smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc(C[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)s1 ZINC001566497867 1125664944 /nfs/dbraw/zinc/66/49/44/1125664944.db2.gz KGYNHMULQSHDTD-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001566574979 1125754978 /nfs/dbraw/zinc/75/49/78/1125754978.db2.gz PRBZMOWOHDTDEZ-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001436725621 1088192536 /nfs/dbraw/zinc/19/25/36/1088192536.db2.gz KGSCABYXNQCBGJ-MOPGFXCFSA-N 2 0 344.503 2.263 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001436728994 1088198823 /nfs/dbraw/zinc/19/88/23/1088198823.db2.gz CVZUVERWINNDRP-HOTGVXAUSA-N 2 0 341.496 2.427 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001436999270 1088746737 /nfs/dbraw/zinc/74/67/37/1088746737.db2.gz MQNLTAYQVJDYDQ-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437057932 1088956206 /nfs/dbraw/zinc/95/62/06/1088956206.db2.gz DRJLXTDFFNCBPG-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]21 ZINC001437083244 1089026526 /nfs/dbraw/zinc/02/65/26/1089026526.db2.gz XWPXGLLYJDKCNU-KKEPMVJESA-N 2 0 345.531 2.345 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)s1 ZINC001437126179 1089109074 /nfs/dbraw/zinc/10/90/74/1089109074.db2.gz BUOHCRGTSZNCMR-NQBHXWOUSA-N 2 0 329.897 2.336 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001437170605 1089192101 /nfs/dbraw/zinc/19/21/01/1089192101.db2.gz QUQFWDUXYJZCLZ-HZPDHXFCSA-N 2 0 345.487 2.479 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001437193035 1089240195 /nfs/dbraw/zinc/24/01/95/1089240195.db2.gz FGHNTTQKDXDXEW-MLGOLLRUSA-N 2 0 339.430 2.388 10 0 EEAERP COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001437344009 1089548111 /nfs/dbraw/zinc/54/81/11/1089548111.db2.gz CWVUPZLRFGGYMF-GOSISDBHSA-N 2 0 347.503 2.112 10 0 EEAERP Cc1ccc(C)c(C[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001437458061 1089767301 /nfs/dbraw/zinc/76/73/01/1089767301.db2.gz OARHDJASBNCHSA-IBGZPJMESA-N 2 0 329.488 2.193 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCc2c1cc(F)cc2F ZINC001437565243 1090042899 /nfs/dbraw/zinc/04/28/99/1090042899.db2.gz ZZWPUVIJMWIHDL-QGZVFWFLSA-N 2 0 337.414 2.096 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001437593063 1090090044 /nfs/dbraw/zinc/09/00/44/1090090044.db2.gz HAIDZIDMVQBBER-LSDHHAIUSA-N 2 0 331.451 2.200 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001437925226 1090518745 /nfs/dbraw/zinc/51/87/45/1090518745.db2.gz PVMLHPJFSFRWNE-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001438341640 1090818336 /nfs/dbraw/zinc/81/83/36/1090818336.db2.gz LJQMROVJIOMCAR-RBUKOAKNSA-N 2 0 345.487 2.186 10 0 EEAERP Cc1conc1C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001438388459 1090873967 /nfs/dbraw/zinc/87/39/67/1090873967.db2.gz OMXZRZFGHYYLKR-KRWDZBQOSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001438402338 1090889865 /nfs/dbraw/zinc/88/98/65/1090889865.db2.gz MUQCUWKWVSRNBX-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]Cc2cnc(C)o2)C2CC2)CC[N@@H+]1C ZINC001438422284 1090916860 /nfs/dbraw/zinc/91/68/60/1090916860.db2.gz RDIZGRYZHYULTK-YQVWRLOYSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nsc2ccccc12 ZINC001438522419 1091015437 /nfs/dbraw/zinc/01/54/37/1091015437.db2.gz SBELWJVYXPUYIS-CYBMUJFWSA-N 2 0 334.489 2.090 10 0 EEAERP C[C@H](CNCc1cc(C(C)(C)C)on1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445399792 1091145412 /nfs/dbraw/zinc/14/54/12/1091145412.db2.gz WZDAPXXQOZXLRQ-HIFRSBDPSA-N 2 0 336.480 2.051 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)n1 ZINC001445447908 1091210928 /nfs/dbraw/zinc/21/09/28/1091210928.db2.gz CLRYUFBQAALJOL-MRXNPFEDSA-N 2 0 332.492 2.025 10 0 EEAERP C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)NC(=O)CC[NH+](C)C ZINC001445607752 1091401471 /nfs/dbraw/zinc/40/14/71/1091401471.db2.gz BHUGISVKUSTFGD-HSBZDZAISA-N 2 0 337.430 2.401 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001445653917 1091442791 /nfs/dbraw/zinc/44/27/91/1091442791.db2.gz GQNDTKIFVCMDKR-ZDUSSCGKSA-N 2 0 341.883 2.283 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)sc1C ZINC001438845314 1091481821 /nfs/dbraw/zinc/48/18/21/1091481821.db2.gz WZELFWFNNWFSBJ-OAHLLOKOSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H]1C[C@@H](C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001438939204 1091623567 /nfs/dbraw/zinc/62/35/67/1091623567.db2.gz SJPNCBWQHIGOHF-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001439160238 1091804176 /nfs/dbraw/zinc/80/41/76/1091804176.db2.gz ZZIGSIPBEXDKFU-WBVHZDCISA-N 2 0 332.492 2.249 10 0 EEAERP COc1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1C ZINC001445940938 1091876437 /nfs/dbraw/zinc/87/64/37/1091876437.db2.gz SQPVIXKVBIWFOL-ROUUACIJSA-N 2 0 345.487 2.082 10 0 EEAERP CCc1ccccc1C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001446267500 1092412716 /nfs/dbraw/zinc/41/27/16/1092412716.db2.gz OGQJYQSESWLBJT-MRXNPFEDSA-N 2 0 329.488 2.329 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001446317165 1092507051 /nfs/dbraw/zinc/50/70/51/1092507051.db2.gz MZEJUMYGNHWNTH-BBWFWOEESA-N 2 0 325.472 2.142 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1c(F)cccc1F ZINC001439782900 1092739101 /nfs/dbraw/zinc/73/91/01/1092739101.db2.gz OOVYDBAAUOOGRN-AWEZNQCLSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@](C)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001439943814 1093050149 /nfs/dbraw/zinc/05/01/49/1093050149.db2.gz AULKSLWGSLQABD-VQIMIIECSA-N 2 0 348.491 2.043 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2nocc2C)C1 ZINC001440129851 1093194410 /nfs/dbraw/zinc/19/44/10/1093194410.db2.gz WKZYNQKFVCUOHG-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC001440197765 1093267654 /nfs/dbraw/zinc/26/76/54/1093267654.db2.gz YBDGHMKSOFRKKX-GJZGRUSLSA-N 2 0 329.435 2.049 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1F ZINC001440198058 1093268296 /nfs/dbraw/zinc/26/82/96/1093268296.db2.gz ZVPSBPMNTJZIMN-MSOLQXFVSA-N 2 0 333.451 2.343 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)c1ccccc1 ZINC001440201961 1093273319 /nfs/dbraw/zinc/27/33/19/1093273319.db2.gz SHWSJAQPJBEQNO-PKOBYXMFSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1cccnc1C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001448388686 1093380651 /nfs/dbraw/zinc/38/06/51/1093380651.db2.gz BFHHIXRMGNPBCU-KRWDZBQOSA-N 2 0 332.492 2.057 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001448574884 1093624591 /nfs/dbraw/zinc/62/45/91/1093624591.db2.gz OWARHBHMRNFKII-ZWKOTPCHSA-N 2 0 333.520 2.488 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001440481719 1093713848 /nfs/dbraw/zinc/71/38/48/1093713848.db2.gz LNMBXUHQUCXXTE-WMZOPIPTSA-N 2 0 347.503 2.488 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2Cc3ccccc3C[NH+]2CC2CC2)C1 ZINC001440533691 1093796105 /nfs/dbraw/zinc/79/61/05/1093796105.db2.gz GIDRTYIKZLUJDX-XLIONFOSSA-N 2 0 341.499 2.281 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001448732564 1093804735 /nfs/dbraw/zinc/80/47/35/1093804735.db2.gz YAPDSYNLSXRERQ-RYUDHWBXSA-N 2 0 344.912 2.075 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001440734871 1093983450 /nfs/dbraw/zinc/98/34/50/1093983450.db2.gz LOXJWESUNZVJSF-UONOGXRCSA-N 2 0 335.414 2.203 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3cccs3)[C@@H]2C1 ZINC001449056811 1094071692 /nfs/dbraw/zinc/07/16/92/1094071692.db2.gz XNFRURADZJMETK-CGTJXYLNSA-N 2 0 349.544 2.459 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440824921 1094077052 /nfs/dbraw/zinc/07/70/52/1094077052.db2.gz OBKKFMYVCKRBNQ-KGLIPLIRSA-N 2 0 336.455 2.078 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001449093070 1094104286 /nfs/dbraw/zinc/10/42/86/1094104286.db2.gz RPTKWPDGXYQHQK-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001440856211 1094116438 /nfs/dbraw/zinc/11/64/38/1094116438.db2.gz DRTBFFDZMHRJIB-UHFFFAOYSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001440890797 1094149487 /nfs/dbraw/zinc/14/94/87/1094149487.db2.gz VMGMTLDTIMSADN-HNNXBMFYSA-N 2 0 338.496 2.458 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(F)(F)F ZINC001440935712 1094188277 /nfs/dbraw/zinc/18/82/77/1094188277.db2.gz BKSQRFDLDBBGOG-ZIAGYGMSSA-N 2 0 337.430 2.496 10 0 EEAERP CC(C)N(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)[C@@H]1CCC[NH+]1C ZINC001449256694 1094205651 /nfs/dbraw/zinc/20/56/51/1094205651.db2.gz GFTXPAJJHBPZEC-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001449301246 1094254500 /nfs/dbraw/zinc/25/45/00/1094254500.db2.gz JHZUFMHXMSTAOL-ZWKOTPCHSA-N 2 0 344.503 2.044 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449325090 1094277603 /nfs/dbraw/zinc/27/76/03/1094277603.db2.gz IZMQIAVLPFTBDA-FUHWJXTLSA-N 2 0 346.519 2.352 10 0 EEAERP CO[C@@H](C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1)C1CCC1 ZINC001441017021 1094297509 /nfs/dbraw/zinc/29/75/09/1094297509.db2.gz UTQWBWMPKVFNSU-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)C1 ZINC001441285848 1094710393 /nfs/dbraw/zinc/71/03/93/1094710393.db2.gz YJLXHDNRBQBWTK-ROUUACIJSA-N 2 0 333.451 2.092 10 0 EEAERP CC[C@@H](C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1)OC ZINC001441389754 1094947414 /nfs/dbraw/zinc/94/74/14/1094947414.db2.gz WJWDFHWAMNNEDJ-OKZBNKHCSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H](O)c1ccccc1 ZINC001441633158 1095525484 /nfs/dbraw/zinc/52/54/84/1095525484.db2.gz CRHMDVVAXLACPA-RTBURBONSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001441879025 1096002413 /nfs/dbraw/zinc/00/24/13/1096002413.db2.gz XBYRSAGHJUYAMH-HNNXBMFYSA-N 2 0 333.451 2.357 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001442216590 1096509824 /nfs/dbraw/zinc/50/98/24/1096509824.db2.gz ZQJFFHZTFVKANL-CYBMUJFWSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001443072819 1097484304 /nfs/dbraw/zinc/48/43/04/1097484304.db2.gz BEOHDZJMWOFISB-LPHOPBHVSA-N 2 0 329.488 2.446 10 0 EEAERP O=C(Cc1cn2c(n1)CCCC2)NCC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001443253851 1097729848 /nfs/dbraw/zinc/72/98/48/1097729848.db2.gz MTDPTNOSUOKJLL-KRWDZBQOSA-N 2 0 344.503 2.390 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1)[NH+](C)C ZINC001443713009 1098217382 /nfs/dbraw/zinc/21/73/82/1098217382.db2.gz FXYVIXLLOMZLQS-VHSSKADRSA-N 2 0 333.451 2.344 10 0 EEAERP CC[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001443990662 1098506971 /nfs/dbraw/zinc/50/69/71/1098506971.db2.gz VGOYDGDSLAYJAJ-QAPCUYQASA-N 2 0 327.488 2.483 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCCOC)CC2 ZINC001479502596 1098570255 /nfs/dbraw/zinc/57/02/55/1098570255.db2.gz OUAWAYJHFIKAAB-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CC[NH2+]CC1CCC1 ZINC001479526625 1098593222 /nfs/dbraw/zinc/59/32/22/1098593222.db2.gz GGUFVVOFKFJFID-WMZOPIPTSA-N 2 0 333.520 2.489 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC001444086565 1098616833 /nfs/dbraw/zinc/61/68/33/1098616833.db2.gz GLWZYPSNHGYDSE-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP COC[C@@H](C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479600034 1098625588 /nfs/dbraw/zinc/62/55/88/1098625588.db2.gz MLRRPHHMJOERME-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001444119812 1098653030 /nfs/dbraw/zinc/65/30/30/1098653030.db2.gz AURHOAFBCKSQFC-VQIMIIECSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCOCC1CC1 ZINC001479637893 1098666302 /nfs/dbraw/zinc/66/63/02/1098666302.db2.gz IYJYDGAHZCGGBS-ZWKOTPCHSA-N 2 0 349.519 2.011 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479744127 1098873580 /nfs/dbraw/zinc/87/35/80/1098873580.db2.gz AFAMFVRXVHXNGP-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP CCN1CCO[C@H](C(=O)NCCC[N@H+](CC)Cc2ccc(C)cc2)C1 ZINC001479861577 1099174342 /nfs/dbraw/zinc/17/43/42/1099174342.db2.gz WZMLYNQFGYXMEK-IBGZPJMESA-N 2 0 347.503 2.044 10 0 EEAERP C[C@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1cccc(F)c1 ZINC001480060768 1099586688 /nfs/dbraw/zinc/58/66/88/1099586688.db2.gz VTKWAERLYWPILD-KSSFIOAISA-N 2 0 345.462 2.467 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001480065986 1099599360 /nfs/dbraw/zinc/59/93/60/1099599360.db2.gz LTHXJUIXCJHGAR-MSOLQXFVSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001444739797 1099615024 /nfs/dbraw/zinc/61/50/24/1099615024.db2.gz BNGWMZCUMIDIPV-MOPGFXCFSA-N 2 0 346.519 2.413 10 0 EEAERP C[N@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cncs1)C1CCC1 ZINC001480179311 1099762557 /nfs/dbraw/zinc/76/25/57/1099762557.db2.gz DUBMKNFCPYYVGI-VHRNVKJDSA-N 2 0 348.516 2.239 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480212002 1099822001 /nfs/dbraw/zinc/82/20/01/1099822001.db2.gz VBTSYMZMXYLWAO-IYBDPMFKSA-N 2 0 339.524 2.301 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480240595 1099874888 /nfs/dbraw/zinc/87/48/88/1099874888.db2.gz YIBYVJITYNFOEJ-FGTMMUONSA-N 2 0 348.491 2.230 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(C(F)F)cc1)C(=O)CC[NH+](C)C ZINC001445030697 1100199193 /nfs/dbraw/zinc/19/91/93/1100199193.db2.gz UFSSDEBIVWZZJL-UHFFFAOYSA-N 2 0 327.419 2.466 10 0 EEAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001480393027 1100199821 /nfs/dbraw/zinc/19/98/21/1100199821.db2.gz PDUQAIUJZIKGNQ-KQUVLMNDSA-N 2 0 331.504 2.406 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@@H]1CCCOC1 ZINC001480491912 1100304583 /nfs/dbraw/zinc/30/45/83/1100304583.db2.gz XJGRBSCBVQRKID-HOTGVXAUSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001480527539 1100358969 /nfs/dbraw/zinc/35/89/69/1100358969.db2.gz WPMFIJLIBXZOEU-IPYPFGDCSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC[C@H]1CCCCO1 ZINC001480537251 1100366825 /nfs/dbraw/zinc/36/68/25/1100366825.db2.gz NBVHOYRDJBAYHX-JKSUJKDBSA-N 2 0 327.513 2.018 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001480547485 1100381886 /nfs/dbraw/zinc/38/18/86/1100381886.db2.gz AWNIMGBBEJKIPH-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1nc(C)cs1 ZINC001495133871 1100801324 /nfs/dbraw/zinc/80/13/24/1100801324.db2.gz CRPBAEAEHKJBJF-HUUCEWRRSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c(C)o1 ZINC001446449015 1100869539 /nfs/dbraw/zinc/86/95/39/1100869539.db2.gz TVYAJOFMJHTAGE-CZUORRHYSA-N 2 0 336.480 2.102 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496358217 1100951565 /nfs/dbraw/zinc/95/15/65/1100951565.db2.gz OOVAILCJSISZKD-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(OC)cc2)C1)[NH+](C)C ZINC001446530304 1100989127 /nfs/dbraw/zinc/98/91/27/1100989127.db2.gz YQPIWFKDSCFSDG-IEBWSBKVSA-N 2 0 333.476 2.116 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001446614529 1101118310 /nfs/dbraw/zinc/11/83/10/1101118310.db2.gz QSMNMVIJGZQIIQ-UZLBHIALSA-N 2 0 344.503 2.060 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495432443 1101150336 /nfs/dbraw/zinc/15/03/36/1101150336.db2.gz IXGGRVNVJFTJTA-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001496559107 1101160249 /nfs/dbraw/zinc/16/02/49/1101160249.db2.gz TWJZRRLTIXEECI-RBUKOAKNSA-N 2 0 346.519 2.493 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCCN(Cc2nccs2)C1 ZINC001446699463 1101265869 /nfs/dbraw/zinc/26/58/69/1101265869.db2.gz ZWTFOQNZIYMCII-KRWDZBQOSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001496706367 1101304980 /nfs/dbraw/zinc/30/49/80/1101304980.db2.gz FIQMPZPORNLFFB-RBSFLKMASA-N 2 0 331.451 2.152 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CCCCOC)C2)CC1 ZINC001495602337 1101313377 /nfs/dbraw/zinc/31/33/77/1101313377.db2.gz JTTISKWUGREYQY-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(F)(F)C1 ZINC001495681211 1101429339 /nfs/dbraw/zinc/42/93/39/1101429339.db2.gz GGJBAYHFIXVMGV-HIFRSBDPSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001495807805 1101623713 /nfs/dbraw/zinc/62/37/13/1101623713.db2.gz GDMCWDGDQZSZDR-HUUCEWRRSA-N 2 0 331.451 2.250 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001495816266 1101636103 /nfs/dbraw/zinc/63/61/03/1101636103.db2.gz SPVIWJARGCQQRK-AWEZNQCLSA-N 2 0 336.480 2.009 10 0 EEAERP Cc1cccc(CCC[N@@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)c1 ZINC001446980685 1101696512 /nfs/dbraw/zinc/69/65/12/1101696512.db2.gz LOIAISDRFZBCHK-BGYRXZFFSA-N 2 0 343.515 2.270 10 0 EEAERP CC(C)COCC[NH2+]C[C@H](C)N(C)C(=O)c1cccc2nccn21 ZINC001496107266 1102073087 /nfs/dbraw/zinc/07/30/87/1102073087.db2.gz GDKLRMKFUYBCHA-HNNXBMFYSA-N 2 0 332.448 2.057 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001497185387 1102090503 /nfs/dbraw/zinc/09/05/03/1102090503.db2.gz GEJSTTBQOUCYIC-GDBMZVCRSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149937 1102140650 /nfs/dbraw/zinc/14/06/50/1102140650.db2.gz OZEKFBAYQPBHIX-ZIAGYGMSSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496194804 1102200257 /nfs/dbraw/zinc/20/02/57/1102200257.db2.gz KSKYVCAITHWNBW-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)c1C ZINC001447268137 1102339225 /nfs/dbraw/zinc/33/92/25/1102339225.db2.gz LXOOXFKXEWSWJP-UHFFFAOYSA-N 2 0 345.487 2.228 10 0 EEAERP CO[C@@H](C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1)C1CCC1 ZINC001447309250 1102423970 /nfs/dbraw/zinc/42/39/70/1102423970.db2.gz ZZPONWLCZDKITC-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CCc1c[nH]cn1 ZINC001497403706 1102436957 /nfs/dbraw/zinc/43/69/57/1102436957.db2.gz GURUZBJOWMRLCH-UHFFFAOYSA-N 2 0 339.443 2.462 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001497598127 1102725713 /nfs/dbraw/zinc/72/57/13/1102725713.db2.gz ACLPMHYMFMKSKW-ZMUQKWFASA-N 2 0 333.451 2.462 10 0 EEAERP CC[C@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1)c1ccccc1 ZINC001447492943 1102740179 /nfs/dbraw/zinc/74/01/79/1102740179.db2.gz NBSMABPXDBWPKM-SFHVURJKSA-N 2 0 347.503 2.344 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1F ZINC001497610709 1102745579 /nfs/dbraw/zinc/74/55/79/1102745579.db2.gz KAZGPTSYJZOKLO-VGOKWCNXSA-N 2 0 349.450 2.081 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001447542898 1102825813 /nfs/dbraw/zinc/82/58/13/1102825813.db2.gz RWXDVTNCIKLUNU-ZBFHGGJFSA-N 2 0 344.459 2.106 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001493977589 1103246871 /nfs/dbraw/zinc/24/68/71/1103246871.db2.gz NUVYMXDOJOMQNQ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)NC(=O)CCC[NH+](C)C ZINC001497895314 1103274645 /nfs/dbraw/zinc/27/46/45/1103274645.db2.gz OSPAGFCTZKPSQU-MLGOLLRUSA-N 2 0 339.430 2.388 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001494083030 1103494652 /nfs/dbraw/zinc/49/46/52/1103494652.db2.gz LICPYNYROJKQRD-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494180993 1103658638 /nfs/dbraw/zinc/65/86/38/1103658638.db2.gz OZLDYAQGRFGEMC-CABCVRRESA-N 2 0 349.441 2.451 10 0 EEAERP Cc1cncc(C[N@@H+](C)[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001448074171 1103943779 /nfs/dbraw/zinc/94/37/79/1103943779.db2.gz ZOXQJTFQQQCZAQ-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP CO[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001448319219 1104381846 /nfs/dbraw/zinc/38/18/46/1104381846.db2.gz ZQEBEYUFQXAXHB-HUUCEWRRSA-N 2 0 339.524 2.111 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCCCOC)C2)CC[N@@H+]1C ZINC001494902215 1104530272 /nfs/dbraw/zinc/53/02/72/1104530272.db2.gz ZONBHHFAEIHCDE-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001494919205 1104558595 /nfs/dbraw/zinc/55/85/95/1104558595.db2.gz OZXYPVKPBBLTHA-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001480597481 1106736234 /nfs/dbraw/zinc/73/62/34/1106736234.db2.gz PZKRIRRUWJTYDN-LBPRGKRZSA-N 2 0 329.847 2.414 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001480637403 1106803468 /nfs/dbraw/zinc/80/34/68/1106803468.db2.gz QKYDVLQZGNDDAR-RJOCJTBNSA-N 2 0 327.472 2.232 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001480652924 1106822980 /nfs/dbraw/zinc/82/29/80/1106822980.db2.gz KJQUTXDSISZOAF-CGXDKWGCSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498098218 1106917410 /nfs/dbraw/zinc/91/74/10/1106917410.db2.gz HOQIVRBWPPBJJE-LNLFQRSKSA-N 2 0 331.504 2.444 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)c1cccc(OC)c1 ZINC001493058636 1107415286 /nfs/dbraw/zinc/41/52/86/1107415286.db2.gz NGNSJOQFUHMLPP-INIZCTEOSA-N 2 0 333.476 2.290 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@@H]1CCCC1(F)F ZINC001493058473 1107415398 /nfs/dbraw/zinc/41/53/98/1107415398.db2.gz LTVVBRCXFORFCX-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@@H]1CCCC1(F)F ZINC001493058472 1107416486 /nfs/dbraw/zinc/41/64/86/1107416486.db2.gz LTVVBRCXFORFCX-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001493123326 1107540988 /nfs/dbraw/zinc/54/09/88/1107540988.db2.gz YOHHPLSSFOPUHO-WBVHZDCISA-N 2 0 339.524 2.255 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001498552976 1107709733 /nfs/dbraw/zinc/70/97/33/1107709733.db2.gz TXKHRRQWGZOAGE-QGZVFWFLSA-N 2 0 336.480 2.048 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CC2CCC3(CC3)CC2)C1 ZINC001499066684 1108533522 /nfs/dbraw/zinc/53/35/22/1108533522.db2.gz NJJLWEMTIOMUGN-AEFFLSMTSA-N 2 0 333.520 2.489 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001463643898 1110378219 /nfs/dbraw/zinc/37/82/19/1110378219.db2.gz SWFMGSRBWJGYFG-ZWKOTPCHSA-N 2 0 333.451 2.374 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001464108245 1110387602 /nfs/dbraw/zinc/38/76/02/1110387602.db2.gz WRNSPVGQYUYKOR-QZTJIDSGSA-N 2 0 333.451 2.201 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001465393023 1110416536 /nfs/dbraw/zinc/41/65/36/1110416536.db2.gz XBYQSKVMPCTQKD-LPHOPBHVSA-N 2 0 343.515 2.322 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001472317834 1110551521 /nfs/dbraw/zinc/55/15/21/1110551521.db2.gz FAZVVYQIVILUQC-FUMNGEBKSA-N 2 0 341.499 2.498 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001479322640 1110681396 /nfs/dbraw/zinc/68/13/96/1110681396.db2.gz XWCFGZNITBOLIG-OIPACUDHSA-N 2 0 345.478 2.431 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC001499183850 1112166860 /nfs/dbraw/zinc/16/68/60/1112166860.db2.gz LCBMQDFZTMLRJZ-KBPBESRZSA-N 2 0 329.435 2.145 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001500123161 1112627575 /nfs/dbraw/zinc/62/75/75/1112627575.db2.gz RVIKSZPZHLDJMG-YJBOKZPZSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001500519056 1112910693 /nfs/dbraw/zinc/91/06/93/1112910693.db2.gz JPEWRCQNZLZYKK-FQEVSTJZSA-N 2 0 346.519 2.368 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520088 1112912602 /nfs/dbraw/zinc/91/26/02/1112912602.db2.gz YNAQCUJMJYZWJW-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001501200098 1113239081 /nfs/dbraw/zinc/23/90/81/1113239081.db2.gz PMNFDQCGYPABIB-GOSISDBHSA-N 2 0 347.478 2.449 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001501391873 1113338728 /nfs/dbraw/zinc/33/87/28/1113338728.db2.gz UOWPOAIDRIHDSZ-SQNIBIBYSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001502086567 1113582212 /nfs/dbraw/zinc/58/22/12/1113582212.db2.gz FHBHGTRWHALJEX-MOPGFXCFSA-N 2 0 349.519 2.036 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccnc1)[NH+]1CCCC1 ZINC001502400975 1113666666 /nfs/dbraw/zinc/66/66/66/1113666666.db2.gz FGTMNJJUSCBQEY-IBGZPJMESA-N 2 0 346.519 2.482 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CCF)CC1)[NH+]1CCCCC1 ZINC001502811592 1113808575 /nfs/dbraw/zinc/80/85/75/1113808575.db2.gz YRDUTPMXVVVFCM-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C/C=C/Cl)CC[N@@H+]1C ZINC001505444162 1113978008 /nfs/dbraw/zinc/97/80/08/1113978008.db2.gz YWJJVIXBQBWYAW-ZPCLDPMFSA-N 2 0 327.900 2.392 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4=CCCCC4)C[C@H]32)C1 ZINC001506809045 1114889238 /nfs/dbraw/zinc/88/92/38/1114889238.db2.gz GEHLUWVTEBVALH-DSLXNQLJSA-N 2 0 331.504 2.123 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccccn2)C1 ZINC001507111705 1115114151 /nfs/dbraw/zinc/11/41/51/1115114151.db2.gz DYLLGKJZUIAQCT-IAGOWNOFSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)COC2CC[NH+](C)CC2)cc1 ZINC001507138825 1115128562 /nfs/dbraw/zinc/12/85/62/1115128562.db2.gz PQIGMVCUEIYFSH-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001507160872 1115141417 /nfs/dbraw/zinc/14/14/17/1115141417.db2.gz GUYACDBRPQIKEG-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001508087710 1115417060 /nfs/dbraw/zinc/41/70/60/1115417060.db2.gz QVNUUGWRBGUYRZ-CHWSQXEVSA-N 2 0 335.414 2.106 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)CC[NH+](C)C ZINC001538429076 1124027481 /nfs/dbraw/zinc/02/74/81/1124027481.db2.gz CRAAGDYXPHMDLT-OAHLLOKOSA-N 2 0 332.492 2.273 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567976535 1124213975 /nfs/dbraw/zinc/21/39/75/1124213975.db2.gz FLJKWKDVSBMPDG-GOEBONIOSA-N 2 0 340.899 2.306 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001568146254 1124326325 /nfs/dbraw/zinc/32/63/25/1124326325.db2.gz MMFWWQLGXDTWHG-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP CCN(CC[NH2+]CCOc1ccc(C)cc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743607 1124758346 /nfs/dbraw/zinc/75/83/46/1124758346.db2.gz MQRDLXIZJPODEU-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568920012 1124947153 /nfs/dbraw/zinc/94/71/53/1124947153.db2.gz NFXNYDFRKHFERX-RXYHWBRQSA-N 2 0 340.471 2.272 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568928283 1124959228 /nfs/dbraw/zinc/95/92/28/1124959228.db2.gz KHSSNNMVWZCQRG-MOEXGYKKSA-N 2 0 348.491 2.318 10 0 EEAERP COc1cc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001568949428 1124982836 /nfs/dbraw/zinc/98/28/36/1124982836.db2.gz CIZJLALKPVRWNZ-SHCNBLLESA-N 2 0 345.487 2.107 10 0 EEAERP Cc1ccc(OCCC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001568984735 1125020971 /nfs/dbraw/zinc/02/09/71/1125020971.db2.gz YQIZYYBXIOEZIA-IEBWSBKVSA-N 2 0 347.503 2.261 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F)C(=O)CC[NH+](C)C ZINC001569236201 1125185307 /nfs/dbraw/zinc/18/53/07/1125185307.db2.gz OHTSTBWFOFNQKA-MRXNPFEDSA-N 2 0 339.430 2.342 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000183479178 529799444 /nfs/dbraw/zinc/79/94/44/529799444.db2.gz QESSXRXDSLSPEJ-QGZVFWFLSA-N 2 0 330.407 2.319 10 0 EEAERP CC[NH+](CC)[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000422825756 240247621 /nfs/dbraw/zinc/24/76/21/240247621.db2.gz BAYKNVONTYSVAE-ACRUOGEOSA-N 2 0 345.531 2.296 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727493 240194115 /nfs/dbraw/zinc/19/41/15/240194115.db2.gz CRBBWCAEOVNZKQ-FZZIBODNSA-N 2 0 331.229 2.430 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000236878555 204067662 /nfs/dbraw/zinc/06/76/62/204067662.db2.gz UKZLLHIJOFGXTE-UHFFFAOYSA-N 2 0 333.476 2.231 10 0 EEAERP C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCC[N@H+](C)CC1 ZINC000043091040 204211709 /nfs/dbraw/zinc/21/17/09/204211709.db2.gz KLFLRIAZVOBJKM-IUODEOHRSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000106459649 204196902 /nfs/dbraw/zinc/19/69/02/204196902.db2.gz WQUWISIPHLBFAS-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000158142926 206175965 /nfs/dbraw/zinc/17/59/65/206175965.db2.gz JLIOKHCOKIOSRI-UHFFFAOYSA-N 2 0 332.488 2.372 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247022254 256015318 /nfs/dbraw/zinc/01/53/18/256015318.db2.gz GDONMNJXKAZJJD-XWTMOSNGSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000267207515 256037645 /nfs/dbraw/zinc/03/76/45/256037645.db2.gz GWKDRMBOGDJHGP-GGPKGHCWSA-N 2 0 331.504 2.380 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248752292 285386657 /nfs/dbraw/zinc/38/66/57/285386657.db2.gz UTKVEAJKMHRRKS-IRXDYDNUSA-N 2 0 338.540 2.480 10 0 EEAERP CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000120784198 142397338 /nfs/dbraw/zinc/39/73/38/142397338.db2.gz QNWCYAZNGPUMES-QZTJIDSGSA-N 2 0 349.519 2.009 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000073010011 292169242 /nfs/dbraw/zinc/16/92/42/292169242.db2.gz QGHAWGWJUDABHS-IBGZPJMESA-N 2 0 331.504 2.396 10 0 EEAERP CCCNC(=O)CC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000088686775 292207330 /nfs/dbraw/zinc/20/73/30/292207330.db2.gz DNMQUEVCNAXLTK-UHFFFAOYSA-N 2 0 346.519 2.225 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000357677254 153284157 /nfs/dbraw/zinc/28/41/57/153284157.db2.gz SPSWZDGAHPZPGN-MRXNPFEDSA-N 2 0 346.475 2.003 10 0 EEAERP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cncnc3)CC2)CC1 ZINC000374283048 154030541 /nfs/dbraw/zinc/03/05/41/154030541.db2.gz IRUSPBOZWJMJJN-UHFFFAOYSA-N 2 0 331.508 2.105 10 0 EEAERP C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCC1 ZINC000127962217 292333759 /nfs/dbraw/zinc/33/37/59/292333759.db2.gz WMWCXIWGJDRMBI-PKOBYXMFSA-N 2 0 346.519 2.190 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000247224918 160315601 /nfs/dbraw/zinc/31/56/01/160315601.db2.gz NJOZHYXBKKPTHQ-YOEHRIQHSA-N 2 0 348.466 2.265 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000343441074 161136336 /nfs/dbraw/zinc/13/63/36/161136336.db2.gz IPMKVJVCVWKCKK-KBXCAEBGSA-N 2 0 335.467 2.437 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000343915724 161180282 /nfs/dbraw/zinc/18/02/82/161180282.db2.gz XLWVFJZMYQTNRV-UHFFFAOYSA-N 2 0 342.487 2.450 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000345502217 161306571 /nfs/dbraw/zinc/30/65/71/161306571.db2.gz HFVQHJJKHHHVAJ-HZPDHXFCSA-N 2 0 329.554 2.441 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000346489160 161376506 /nfs/dbraw/zinc/37/65/06/161376506.db2.gz KINQSACDAOOIJD-HOTGVXAUSA-N 2 0 329.554 2.250 10 0 EEAERP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCO1 ZINC000355681406 163268458 /nfs/dbraw/zinc/26/84/58/163268458.db2.gz ZDLIRFHNZQGQRK-IEBWSBKVSA-N 2 0 347.503 2.273 10 0 EEAERP C[N@H+](CCCNC(=O)C1(N2CCOCC2)CCC1)C1CCCCC1 ZINC000364686075 165232758 /nfs/dbraw/zinc/23/27/58/165232758.db2.gz NNCLQBUAWMGGPZ-UHFFFAOYSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000272679785 269007679 /nfs/dbraw/zinc/00/76/79/269007679.db2.gz RXEZRNYTINYAMK-QZTJIDSGSA-N 2 0 344.503 2.463 10 0 EEAERP CC(C)C[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274334582 274188419 /nfs/dbraw/zinc/18/84/19/274188419.db2.gz ZZCDVMBZNVDIRR-KRWDZBQOSA-N 2 0 332.492 2.392 10 0 EEAERP C[C@H]1CC2(C[N@@H+]1Cc1c(Br)cnn1C)CC[NH2+]CC2 ZINC000424371248 290363642 /nfs/dbraw/zinc/36/36/42/290363642.db2.gz DGEKOZPINADVAU-NSHDSACASA-N 2 0 327.270 2.147 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H]1c1ccccc1 ZINC000333658711 312179315 /nfs/dbraw/zinc/17/93/15/312179315.db2.gz WSNDSWJKCKKOMH-XCDZQEORSA-N 2 0 342.487 2.201 10 0 EEAERP COC(=O)[C@@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000414558188 313040892 /nfs/dbraw/zinc/04/08/92/313040892.db2.gz MPYKCKOVLXTUKE-SFHVURJKSA-N 2 0 328.416 2.351 10 0 EEAERP COc1ccccc1/C=C/C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971309 313117413 /nfs/dbraw/zinc/11/74/13/313117413.db2.gz IAWPQRGMRRCORB-MQDFFIGUSA-N 2 0 343.393 2.134 10 0 EEAERP C[N@@H+]1CCC[C@H](CCNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416254456 313206753 /nfs/dbraw/zinc/20/67/53/313206753.db2.gz VICBWVAIBZJFBM-QGZVFWFLSA-N 2 0 329.488 2.283 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000416432122 313221838 /nfs/dbraw/zinc/22/18/38/313221838.db2.gz JJZJKJMDQYDKFA-HUUCEWRRSA-N 2 0 332.473 2.350 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416812284 313322443 /nfs/dbraw/zinc/32/24/43/313322443.db2.gz DPUMOBYBMLEJJI-LPHOPBHVSA-N 2 0 346.475 2.202 10 0 EEAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416874330 313344003 /nfs/dbraw/zinc/34/40/03/313344003.db2.gz PMTIAFKGXUHFOU-MSOLQXFVSA-N 2 0 330.476 2.209 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000417001642 313389093 /nfs/dbraw/zinc/38/90/93/313389093.db2.gz FBABTTSXOXYZMQ-YTQUADARSA-N 2 0 346.519 2.237 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417017225 313396283 /nfs/dbraw/zinc/39/62/83/313396283.db2.gz ORDLKIANWPQOMT-WBVHZDCISA-N 2 0 336.505 2.136 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421754557 314156267 /nfs/dbraw/zinc/15/62/67/314156267.db2.gz BSUHACSWBLYJIV-KZNAEPCWSA-N 2 0 342.487 2.146 10 0 EEAERP Cc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccn1 ZINC000529566443 317612392 /nfs/dbraw/zinc/61/23/92/317612392.db2.gz ORXDVNSUCSJETD-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP COCCOc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248564 317704514 /nfs/dbraw/zinc/70/45/14/317704514.db2.gz MPYFYQDEELDULX-FQEVSTJZSA-N 2 0 348.487 2.302 10 0 EEAERP CN(CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cc[nH+]cc1 ZINC000541856494 318112299 /nfs/dbraw/zinc/11/22/99/318112299.db2.gz LVPIEGPCPLLDDX-AZUAARDMSA-N 2 0 338.455 2.470 10 0 EEAERP CN(CCC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1cc[nH+]cc1 ZINC000543715675 318167911 /nfs/dbraw/zinc/16/79/11/318167911.db2.gz DLXUWLVHCOQPIT-UHFFFAOYSA-N 2 0 338.455 2.082 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000547282856 318276783 /nfs/dbraw/zinc/27/67/83/318276783.db2.gz ILYWRQHQRBIYST-UHFFFAOYSA-N 2 0 342.487 2.375 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808927 318933327 /nfs/dbraw/zinc/93/33/27/318933327.db2.gz ZFXKOXJEZXMPLP-FPOVZHCZSA-N 2 0 337.467 2.296 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000564310244 319077323 /nfs/dbraw/zinc/07/73/23/319077323.db2.gz VTHZGBBNCUOJNN-DOTOQJQBSA-N 2 0 332.492 2.194 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000564910751 319126605 /nfs/dbraw/zinc/12/66/05/319126605.db2.gz MFAHVLPLBPRDEY-VYMRPNJYSA-N 2 0 339.524 2.147 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000568489943 319492963 /nfs/dbraw/zinc/49/29/63/319492963.db2.gz QPHIAOIFJYEJSB-KSSFIOAISA-N 2 0 348.466 2.087 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)C[C@@H]21 ZINC000568966727 319533861 /nfs/dbraw/zinc/53/38/61/319533861.db2.gz SDFCGTNWFVSYMG-YSIASYRMSA-N 2 0 341.499 2.428 10 0 EEAERP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000569349563 319568495 /nfs/dbraw/zinc/56/84/95/319568495.db2.gz NRKJOEVTIUTVDQ-XOYOTBSWSA-N 2 0 348.512 2.458 10 0 EEAERP C[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000576210302 320151032 /nfs/dbraw/zinc/15/10/32/320151032.db2.gz FBJZDIWRJSCBIC-UHFFFAOYSA-N 2 0 334.439 2.325 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)c2ccccc2CC[NH3+])ccc1F ZINC000576883568 320212370 /nfs/dbraw/zinc/21/23/70/320212370.db2.gz CNLYNMYFJKFCGS-UHFFFAOYSA-N 2 0 329.419 2.319 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000193203054 465028015 /nfs/dbraw/zinc/02/80/15/465028015.db2.gz UCSCVXBGCCYPRH-SFHVURJKSA-N 2 0 332.492 2.465 10 0 EEAERP C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[S@](C)=O ZINC000358320455 465057234 /nfs/dbraw/zinc/05/72/34/465057234.db2.gz POSRCWVGQSPPJP-GTQRCTGISA-N 2 0 326.506 2.435 10 0 EEAERP Cc1nocc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000339182204 465128414 /nfs/dbraw/zinc/12/84/14/465128414.db2.gz RVIXQYIGLGWWLT-IBGZPJMESA-N 2 0 328.460 2.451 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000048215968 462874564 /nfs/dbraw/zinc/87/45/64/462874564.db2.gz XBBZQAFAGNYVFJ-SFHVURJKSA-N 2 0 332.492 2.320 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091348425 462875705 /nfs/dbraw/zinc/87/57/05/462875705.db2.gz ICXBXCLBVIVMSN-AWEZNQCLSA-N 2 0 339.505 2.107 10 0 EEAERP Cc1nc(-c2ccc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc2)[nH]c(=O)c1C ZINC000048435667 462910442 /nfs/dbraw/zinc/91/04/42/462910442.db2.gz PUIVEXGVYPSJCI-MRXNPFEDSA-N 2 0 326.444 2.224 10 0 EEAERP Cn1nccc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121176480 463092258 /nfs/dbraw/zinc/09/22/58/463092258.db2.gz ZSZSFZXTBVXFKC-HXUWFJFHSA-N 2 0 342.487 2.298 10 0 EEAERP Cc1ccccc1C[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000052591019 463093543 /nfs/dbraw/zinc/09/35/43/463093543.db2.gz ACFRZGLZCCJNEM-IBGZPJMESA-N 2 0 344.503 2.307 10 0 EEAERP CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000162001252 463475560 /nfs/dbraw/zinc/47/55/60/463475560.db2.gz WDZMYMXSXQDRHS-MOPGFXCFSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000057825514 463521335 /nfs/dbraw/zinc/52/13/35/463521335.db2.gz LJWNXLVYCJMWSX-ZWKOTPCHSA-N 2 0 330.476 2.044 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000163259180 463576790 /nfs/dbraw/zinc/57/67/90/463576790.db2.gz LVYWPIGOTRUKBO-UONOGXRCSA-N 2 0 325.478 2.051 10 0 EEAERP CC[NH+](CC)CCNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000042845817 463601479 /nfs/dbraw/zinc/60/14/79/463601479.db2.gz GFESTLHTKFWIHA-UHFFFAOYSA-N 2 0 347.507 2.292 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193642022 463723895 /nfs/dbraw/zinc/72/38/95/463723895.db2.gz CTVQAJUSJVMGHB-IBGZPJMESA-N 2 0 344.503 2.463 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000177982454 463822900 /nfs/dbraw/zinc/82/29/00/463822900.db2.gz XIVXUQBWQXAFBV-SFHVURJKSA-N 2 0 348.466 2.137 10 0 EEAERP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261899362 463892530 /nfs/dbraw/zinc/89/25/30/463892530.db2.gz HLRMEZXPGSDTRX-JQHSSLGASA-N 2 0 330.472 2.474 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000172226419 464022005 /nfs/dbraw/zinc/02/20/05/464022005.db2.gz REZDMLHIMNNZOO-MOPGFXCFSA-N 2 0 344.503 2.435 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179075468 464051313 /nfs/dbraw/zinc/05/13/13/464051313.db2.gz NVEKEPIBNSXFES-GOSISDBHSA-N 2 0 336.524 2.280 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179091945 464054669 /nfs/dbraw/zinc/05/46/69/464054669.db2.gz GYOJMLQHBHCJBF-MOPGFXCFSA-N 2 0 342.487 2.358 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000173532750 464277357 /nfs/dbraw/zinc/27/73/57/464277357.db2.gz LTXRMCGLLYDPIM-ZWKOTPCHSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000271578461 464335547 /nfs/dbraw/zinc/33/55/47/464335547.db2.gz ZYAVKNDHGKOBQA-IEBWSBKVSA-N 2 0 332.488 2.276 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246390398 464578748 /nfs/dbraw/zinc/57/87/48/464578748.db2.gz IQADHIPIKNVZRR-IRXDYDNUSA-N 2 0 346.475 2.296 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246576106 464602458 /nfs/dbraw/zinc/60/24/58/464602458.db2.gz RVLZYYNPUGYZEO-NEPXVJNWSA-N 2 0 348.535 2.373 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176022134 464682359 /nfs/dbraw/zinc/68/23/59/464682359.db2.gz HGLPMIRSBKOVHO-GOSISDBHSA-N 2 0 334.508 2.273 10 0 EEAERP C[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000298740187 465488960 /nfs/dbraw/zinc/48/89/60/465488960.db2.gz JRJOHWCFFWWVNL-UHFFFAOYSA-N 2 0 330.476 2.130 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000356931978 465638099 /nfs/dbraw/zinc/63/80/99/465638099.db2.gz IMSVUYKDVCNHHK-QZTJIDSGSA-N 2 0 331.504 2.421 10 0 EEAERP Cn1nc2c(c1C[NH2+]C1CCN(Cc3ccncc3)CC1)CCCC2 ZINC000360985347 465683244 /nfs/dbraw/zinc/68/32/44/465683244.db2.gz HJGAVFZSBFLCNY-UHFFFAOYSA-N 2 0 339.487 2.448 10 0 EEAERP COc1cc(Br)ccc1C[NH2+]CCOCC[NH+](C)C ZINC000349249230 466035848 /nfs/dbraw/zinc/03/58/48/466035848.db2.gz CNPOXPSFRUIYOH-UHFFFAOYSA-N 2 0 331.254 2.126 10 0 EEAERP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349778061 466234129 /nfs/dbraw/zinc/23/41/29/466234129.db2.gz PCPODABNFJKDRY-HUUCEWRRSA-N 2 0 336.505 2.229 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349849870 466272033 /nfs/dbraw/zinc/27/20/33/466272033.db2.gz SZADEAVBOLWVPY-INIZCTEOSA-N 2 0 332.492 2.422 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000422893784 466687268 /nfs/dbraw/zinc/68/72/68/466687268.db2.gz ASGRBMADGVYCIR-WBQJQJEBSA-N 2 0 327.472 2.459 10 0 EEAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478135 466754505 /nfs/dbraw/zinc/75/45/05/466754505.db2.gz TVNSMQINLMJLOC-RYQLBKOJSA-N 2 0 331.439 2.179 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417087928 466776192 /nfs/dbraw/zinc/77/61/92/466776192.db2.gz IRTYDVJPZGHUOP-CRAIPNDOSA-N 2 0 344.503 2.121 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000370284383 466824324 /nfs/dbraw/zinc/82/43/24/466824324.db2.gz BZBVMXPCNKTTHO-LJQANCHMSA-N 2 0 342.487 2.313 10 0 EEAERP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000370497592 466901954 /nfs/dbraw/zinc/90/19/54/466901954.db2.gz CTBCSISMCKJLOB-SFHVURJKSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376982750 466988119 /nfs/dbraw/zinc/98/81/19/466988119.db2.gz ZSACYIOTIINHNN-BFWZDYSYSA-N 2 0 334.508 2.272 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418000816 467017914 /nfs/dbraw/zinc/01/79/14/467017914.db2.gz WIVXHJZKFDLRGX-DAYGRLMNSA-N 2 0 334.508 2.175 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418232438 467080943 /nfs/dbraw/zinc/08/09/43/467080943.db2.gz DQULLVPEWHHXER-ROUUACIJSA-N 2 0 332.492 2.496 10 0 EEAERP C[N@H+](CCN(Cc1ccccc1)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418295006 467089129 /nfs/dbraw/zinc/08/91/29/467089129.db2.gz IAKCDANRCMQBNZ-UHFFFAOYSA-N 2 0 340.471 2.289 10 0 EEAERP [NH3+]C[C@@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCCC1 ZINC000418375713 467101114 /nfs/dbraw/zinc/10/11/14/467101114.db2.gz HVTLLMYVXBDFDD-BFRPXFFUSA-N 2 0 348.535 2.347 10 0 EEAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418467685 467115478 /nfs/dbraw/zinc/11/54/78/467115478.db2.gz OVHIFIPZOKEZRA-MSOLQXFVSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@@H](O)C[NH+](C)Cc1cc(C[N@@H+](C)C[C@@H](C)O)cc(C(F)(F)F)c1 ZINC000451050035 467234881 /nfs/dbraw/zinc/23/48/81/467234881.db2.gz MALFBTTXXUQECC-CHWSQXEVSA-N 2 0 348.409 2.331 10 0 EEAERP CCN1CCN(C(=O)[C@@H](C)N2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451839088 467269858 /nfs/dbraw/zinc/26/98/58/467269858.db2.gz NMLKSZXDUCYABN-NVXWUHKLSA-N 2 0 331.460 2.359 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000382739703 467378163 /nfs/dbraw/zinc/37/81/63/467378163.db2.gz LSDCARABSBNNBS-RBUKOAKNSA-N 2 0 329.488 2.357 10 0 EEAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372711 467382465 /nfs/dbraw/zinc/38/24/65/467382465.db2.gz LUUSBTCHLLMWQA-CVEARBPZSA-N 2 0 342.443 2.487 10 0 EEAERP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000420382338 467387858 /nfs/dbraw/zinc/38/78/58/467387858.db2.gz PRANTTRXRIONHY-VQTJNVASSA-N 2 0 348.487 2.300 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)C2)CC1 ZINC000449155904 467621193 /nfs/dbraw/zinc/62/11/93/467621193.db2.gz CLABHWZTBILBEA-APWZRJJASA-N 2 0 329.488 2.292 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449513684 467654398 /nfs/dbraw/zinc/65/43/98/467654398.db2.gz WLSLHZXFAKERJP-OALUTQOASA-N 2 0 326.444 2.462 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000457802974 467708751 /nfs/dbraw/zinc/70/87/51/467708751.db2.gz ZBZVHBHGFAKZNM-INIZCTEOSA-N 2 0 345.491 2.176 10 0 EEAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000459250823 467953471 /nfs/dbraw/zinc/95/34/71/467953471.db2.gz FSRNRUMRQKQWRI-KRWDZBQOSA-N 2 0 336.524 2.236 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909197 468054218 /nfs/dbraw/zinc/05/42/18/468054218.db2.gz HIZOVMUXGOGCLL-ZBFHGGJFSA-N 2 0 345.487 2.414 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(=O)NCC[NH+](C)C ZINC000488434147 468086949 /nfs/dbraw/zinc/08/69/49/468086949.db2.gz OTYMKIMXIYHMGR-HRCADAONSA-N 2 0 329.554 2.199 10 0 EEAERP COCC[NH2+]C1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000571290434 468767292 /nfs/dbraw/zinc/76/72/92/468767292.db2.gz FQGJOYAUSVUGMB-UHFFFAOYSA-N 2 0 348.491 2.023 10 0 EEAERP CCC[C@@H]1CN(C(=O)Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000584189823 468817258 /nfs/dbraw/zinc/81/72/58/468817258.db2.gz VFGIZPLMQWQYNT-GOSISDBHSA-N 2 0 326.444 2.396 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572368165 468923686 /nfs/dbraw/zinc/92/36/86/468923686.db2.gz VVTDXLANXAAKRY-SJORKVTESA-N 2 0 345.487 2.089 10 0 EEAERP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000593602251 469055121 /nfs/dbraw/zinc/05/51/21/469055121.db2.gz NCOJTRKWIAOKGB-OAHLLOKOSA-N 2 0 328.497 2.181 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000618547108 469385429 /nfs/dbraw/zinc/38/54/29/469385429.db2.gz BTLCZIBBTGSJDB-ZWKOTPCHSA-N 2 0 332.492 2.245 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000629530338 469573210 /nfs/dbraw/zinc/57/32/10/469573210.db2.gz CWEJVKUJBWICOF-SJORKVTESA-N 2 0 326.868 2.256 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531867 469574156 /nfs/dbraw/zinc/57/41/56/469574156.db2.gz BLVCCMZNKBKPHX-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629660370 469601259 /nfs/dbraw/zinc/60/12/59/469601259.db2.gz SLAONZNEPFEBHV-HKUYNNGSSA-N 2 0 330.520 2.449 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCCCC1 ZINC000626924288 469756235 /nfs/dbraw/zinc/75/62/35/469756235.db2.gz MUEZJHPNIIQCCV-HDICACEKSA-N 2 0 336.524 2.282 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000626925827 469757483 /nfs/dbraw/zinc/75/74/83/469757483.db2.gz SAMGALWIOXLWOV-CRAIPNDOSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000626931943 469759957 /nfs/dbraw/zinc/75/99/57/469759957.db2.gz OJHOVQGHWXYEHD-JTDSTZFVSA-N 2 0 344.503 2.468 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000626939237 469762934 /nfs/dbraw/zinc/76/29/34/469762934.db2.gz WSHLONOKVGKGEC-ZWKOTPCHSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199487 469841881 /nfs/dbraw/zinc/84/18/81/469841881.db2.gz YBJDBZSBSDRZEJ-AEFFLSMTSA-N 2 0 344.503 2.433 10 0 EEAERP CCN(C(=O)NC/C=C\C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000641869647 470505765 /nfs/dbraw/zinc/50/57/65/470505765.db2.gz DVJGSCXLWYPXEK-PPVIZMFSSA-N 2 0 330.476 2.368 10 0 EEAERP CN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637015640 470563334 /nfs/dbraw/zinc/56/33/34/470563334.db2.gz SXALUFRRWFVXEV-ZWKOTPCHSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000633803777 470597148 /nfs/dbraw/zinc/59/71/48/470597148.db2.gz PIGRUKOFAKGIMH-ZIFCJYIRSA-N 2 0 329.488 2.213 10 0 EEAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000638119669 470973430 /nfs/dbraw/zinc/97/34/30/470973430.db2.gz BFELVZACCMGXCW-KCITZHQASA-N 2 0 345.487 2.004 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000644551480 470980722 /nfs/dbraw/zinc/98/07/22/470980722.db2.gz YJTNDZXUCITYSJ-WSTZPKSXSA-N 2 0 333.520 2.332 10 0 EEAERP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000644577850 470986892 /nfs/dbraw/zinc/98/68/92/470986892.db2.gz KETJEEJCRLLSCX-XVLXNVKGSA-N 2 0 346.471 2.234 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000651192000 471084099 /nfs/dbraw/zinc/08/40/99/471084099.db2.gz YAJPTUOIHXLJKI-UHFFFAOYSA-N 2 0 326.529 2.338 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000654657715 471117256 /nfs/dbraw/zinc/11/72/56/471117256.db2.gz PSZGYRCTCKGHIV-KDURUIRLSA-N 2 0 344.503 2.244 10 0 EEAERP O[C@]1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000651944422 471179954 /nfs/dbraw/zinc/17/99/54/471179954.db2.gz VIBWGRJWXLVSHJ-PLACYPQZSA-N 2 0 344.499 2.418 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)CCO1 ZINC000648425177 471200291 /nfs/dbraw/zinc/20/02/91/471200291.db2.gz WGWWVRZTVQDMTN-QZTJIDSGSA-N 2 0 332.492 2.271 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000652284280 471266676 /nfs/dbraw/zinc/26/66/76/471266676.db2.gz OGEQSEUJYGMCAB-UHFFFAOYSA-N 2 0 332.492 2.279 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000652285440 471266826 /nfs/dbraw/zinc/26/68/26/471266826.db2.gz ZQGALZMEEYYQOE-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138785 471270366 /nfs/dbraw/zinc/27/03/66/471270366.db2.gz OBOPUGXHKZLSKV-UXHICEINSA-N 2 0 342.487 2.264 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660385707 471318699 /nfs/dbraw/zinc/31/86/99/471318699.db2.gz MQJLOEARGPGDFC-UHFFFAOYSA-N 2 0 332.492 2.230 10 0 EEAERP CCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663445563 471380732 /nfs/dbraw/zinc/38/07/32/471380732.db2.gz PQFARGYKWGUXOL-OALUTQOASA-N 2 0 346.519 2.285 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)C1 ZINC000669121501 471387882 /nfs/dbraw/zinc/38/78/82/471387882.db2.gz HKKCCKVXPBJTFU-YPQKKHBXSA-N 2 0 330.476 2.233 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000669403189 471479442 /nfs/dbraw/zinc/47/94/42/471479442.db2.gz ODHSIRBVSYHHJS-ZWKOTPCHSA-N 2 0 326.444 2.233 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413890 471484620 /nfs/dbraw/zinc/48/46/20/471484620.db2.gz LJANSHUNSCQYIW-APWZRJJASA-N 2 0 344.503 2.196 10 0 EEAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000655805802 471489403 /nfs/dbraw/zinc/48/94/03/471489403.db2.gz LPEGJBNYQIEDJN-KFWWJZLASA-N 2 0 349.475 2.351 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000663762994 471506870 /nfs/dbraw/zinc/50/68/70/471506870.db2.gz FONNGJPSGFGIMP-ROUUACIJSA-N 2 0 346.519 2.331 10 0 EEAERP CC[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000669515815 471531562 /nfs/dbraw/zinc/53/15/62/471531562.db2.gz DEXDURZATURNRD-LPHOPBHVSA-N 2 0 329.488 2.428 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911673 471534365 /nfs/dbraw/zinc/53/43/65/471534365.db2.gz LGYXIMVKDRTFNE-ZDUSSCGKSA-N 2 0 338.418 2.030 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659489490 471652723 /nfs/dbraw/zinc/65/27/23/471652723.db2.gz HLWOARLSFAPGMM-LMDPOFIKSA-N 2 0 348.535 2.425 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CC(C)(C)CC(C)(C)C2)CC1 ZINC000656706334 471814611 /nfs/dbraw/zinc/81/46/11/471814611.db2.gz CKMYKEBKQLMDFG-KRWDZBQOSA-N 2 0 325.541 2.037 10 0 EEAERP Cc1cc(Br)c(CNC[C@H](O)C[N@@H+](C)C2CC2)s1 ZINC000656715342 471817602 /nfs/dbraw/zinc/81/76/02/471817602.db2.gz SAULEJWBJJUWQM-NSHDSACASA-N 2 0 333.295 2.364 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)CC1 ZINC000664878338 471887874 /nfs/dbraw/zinc/88/78/74/471887874.db2.gz VATITPXFFLNSJS-UHFFFAOYSA-N 2 0 347.551 2.221 10 0 EEAERP CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](CCn2ccnc2)C1 ZINC000664936741 471903127 /nfs/dbraw/zinc/90/31/27/471903127.db2.gz UADCMTYYMBEPCN-UHFFFAOYSA-N 2 0 327.363 2.346 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654397082 471942358 /nfs/dbraw/zinc/94/23/58/471942358.db2.gz UWCXWHFXWSYZIF-VQHPVUNQSA-N 2 0 338.540 2.382 10 0 EEAERP c1cc2c(cc1[C@H]([NH2+]C[C@@H]1CCC3(C[NH2+]C3)O1)C1CC1)OCCO2 ZINC000662281307 472054356 /nfs/dbraw/zinc/05/43/56/472054356.db2.gz JIPDNAZUYKGUOH-MAUKXSAKSA-N 2 0 330.428 2.020 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(F)c1 ZINC000668654371 472210306 /nfs/dbraw/zinc/21/03/06/472210306.db2.gz XVAJPEKDAGJFJQ-IEBWSBKVSA-N 2 0 348.466 2.214 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662696945 472212223 /nfs/dbraw/zinc/21/22/23/472212223.db2.gz ZWBQJJMVEOPUBF-UKRRQHHQSA-N 2 0 342.443 2.434 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651193585 485532930 /nfs/dbraw/zinc/53/29/30/485532930.db2.gz AMGBVGCESPHSRH-IRXDYDNUSA-N 2 0 326.529 2.336 10 0 EEAERP CC[NH+]1CCC(N[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000679045160 485572640 /nfs/dbraw/zinc/57/26/40/485572640.db2.gz SXIVDGJKWADZBX-FQEVSTJZSA-N 2 0 331.504 2.087 10 0 EEAERP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000679393927 485681279 /nfs/dbraw/zinc/68/12/79/485681279.db2.gz IXTBKPKKMUORFG-BWUHRYBWSA-N 2 0 343.515 2.491 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000431728053 485706844 /nfs/dbraw/zinc/70/68/44/485706844.db2.gz WOBFTHDAIXRGLL-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1=CC[N@H+](C)CC1 ZINC000679731136 485801495 /nfs/dbraw/zinc/80/14/95/485801495.db2.gz WRNWWESXITXTKI-ZDUSSCGKSA-N 2 0 326.404 2.039 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000675092330 485900245 /nfs/dbraw/zinc/90/02/45/485900245.db2.gz WVFKREBAYBOCBG-BPQIPLTHSA-N 2 0 330.476 2.043 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416202334 529016489 /nfs/dbraw/zinc/01/64/89/529016489.db2.gz IQTRTANDPSZARB-LJQANCHMSA-N 2 0 329.488 2.424 10 0 EEAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246752232 535965719 /nfs/dbraw/zinc/96/57/19/535965719.db2.gz AFFKHBBILSSBHZ-NVXWUHKLSA-N 2 0 326.868 2.101 10 0 EEAERP Cc1cc(Br)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000775007493 577426114 /nfs/dbraw/zinc/42/61/14/577426114.db2.gz NUELAHWVDUCSBM-UHFFFAOYSA-N 2 0 327.266 2.304 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848192 681245280 /nfs/dbraw/zinc/24/52/80/681245280.db2.gz ARXLPJIBUGUXCO-KGLIPLIRSA-N 2 0 326.872 2.265 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000894926199 683409438 /nfs/dbraw/zinc/40/94/38/683409438.db2.gz RGDMYBVCVZHXAK-UHOSZYNNSA-N 2 0 346.519 2.360 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](CC1=CCCCC1)CCO2 ZINC001485557408 1191835605 /nfs/dbraw/zinc/83/56/05/1191835605.db2.gz AJIRLGPYEMMHFG-FQEVSTJZSA-N 2 0 349.519 2.130 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001485601203 1191856667 /nfs/dbraw/zinc/85/66/67/1191856667.db2.gz JVKHFTPONVVWAM-IKHNBXKESA-N 2 0 333.520 2.367 10 0 EEAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485642457 1191876272 /nfs/dbraw/zinc/87/62/72/1191876272.db2.gz CMTHLVZKVROOOR-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)o1 ZINC001485735402 1191914687 /nfs/dbraw/zinc/91/46/87/1191914687.db2.gz IUUBREFENAAQGN-CYBMUJFWSA-N 2 0 336.480 2.008 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccnc(Cl)c1 ZINC001266399045 1176479238 /nfs/dbraw/zinc/47/92/38/1176479238.db2.gz IWHZRXGPKOBYFN-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266844962 1177535802 /nfs/dbraw/zinc/53/58/02/1177535802.db2.gz RJKQETDSZCYKDT-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCF)CC1 ZINC001266879562 1177692442 /nfs/dbraw/zinc/69/24/42/1177692442.db2.gz AEPROTOQONXRPR-KRWDZBQOSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)on1 ZINC001691319898 1177905001 /nfs/dbraw/zinc/90/50/01/1177905001.db2.gz ZMFLTPOFQJHORH-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001267070111 1178186428 /nfs/dbraw/zinc/18/64/28/1178186428.db2.gz IDQBQIAXBKZRJY-CQSZACIVSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267163213 1178364431 /nfs/dbraw/zinc/36/44/31/1178364431.db2.gz OGCQWEWIAHFTJR-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCF ZINC001691439445 1178584753 /nfs/dbraw/zinc/58/47/53/1178584753.db2.gz ZBWQXPKJZYNWRL-MLHJIOFPSA-N 2 0 339.499 2.247 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC001267454447 1179033819 /nfs/dbraw/zinc/03/38/19/1179033819.db2.gz ZAKJSUXSWSRNOD-HKUYNNGSSA-N 2 0 347.503 2.154 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccc(C(C)C)n1 ZINC001480999959 1179454322 /nfs/dbraw/zinc/45/43/22/1179454322.db2.gz IUXSFQPPTDFQIE-QGZVFWFLSA-N 2 0 346.519 2.485 10 0 EEAERP CCN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1c(C)noc1C ZINC001481003610 1179461804 /nfs/dbraw/zinc/46/18/04/1179461804.db2.gz GVVWVDZWXNDNTO-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481124902 1179826094 /nfs/dbraw/zinc/82/60/94/1179826094.db2.gz XJTWEGBJSXSIQT-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1CCOCC1 ZINC001481154824 1179942398 /nfs/dbraw/zinc/94/23/98/1179942398.db2.gz NLCRFHOFMOFDCV-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[NH+](CC2CC3(CCC3)C2)C2CC2)CC[N@@H+]1C ZINC001481170157 1179978346 /nfs/dbraw/zinc/97/83/46/1179978346.db2.gz GPOZVXQUTKDHLR-CRAIPNDOSA-N 2 0 333.520 2.488 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267772553 1180484047 /nfs/dbraw/zinc/48/40/47/1180484047.db2.gz DKAVDKRFYJDBLZ-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267930441 1180779945 /nfs/dbraw/zinc/77/99/45/1180779945.db2.gz FNBQVUMCLWECAB-BZSNNMDCSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1nc(CNCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)oc1C ZINC001481286786 1180859530 /nfs/dbraw/zinc/85/95/30/1180859530.db2.gz BAXIPFSMNVNQEG-HNNXBMFYSA-N 2 0 336.480 2.104 10 0 EEAERP CCOCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001267974975 1180905804 /nfs/dbraw/zinc/90/58/04/1180905804.db2.gz LRUZBJBVUNCNJE-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1N(C)C ZINC001481320037 1181025871 /nfs/dbraw/zinc/02/58/71/1181025871.db2.gz UGSPVKLMSIZELO-IBGZPJMESA-N 2 0 346.519 2.175 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481327922 1181044013 /nfs/dbraw/zinc/04/40/13/1181044013.db2.gz ICFHCKHDTRDASR-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@@H]1CCCCO1 ZINC001481358493 1181118532 /nfs/dbraw/zinc/11/85/32/1181118532.db2.gz UCLKDLOUMGUFSX-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268040689 1181412837 /nfs/dbraw/zinc/41/28/37/1181412837.db2.gz UMVHAKRYSRTFBC-CVEARBPZSA-N 2 0 325.472 2.382 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268094666 1181734043 /nfs/dbraw/zinc/73/40/43/1181734043.db2.gz POSBEMKFOWFZGJ-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP O=C(CCc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001268154312 1181849451 /nfs/dbraw/zinc/84/94/51/1181849451.db2.gz LQAUQEKTROLPQE-MSOLQXFVSA-N 2 0 348.491 2.272 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268414804 1182570541 /nfs/dbraw/zinc/57/05/41/1182570541.db2.gz MPJPPHOCPGINMQ-DOTOQJQBSA-N 2 0 342.487 2.494 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268414954 1182571492 /nfs/dbraw/zinc/57/14/92/1182571492.db2.gz NMPNWVINKRYPPA-GXTWGEPZSA-N 2 0 326.872 2.060 10 0 EEAERP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268450246 1182633448 /nfs/dbraw/zinc/63/34/48/1182633448.db2.gz IIIJXZGCLPKRCD-CYBMUJFWSA-N 2 0 334.291 2.085 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001481850559 1182799701 /nfs/dbraw/zinc/79/97/01/1182799701.db2.gz NMOTWMMDNCGPAJ-KDOFPFPSSA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001481850560 1182800308 /nfs/dbraw/zinc/80/03/08/1182800308.db2.gz NMOTWMMDNCGPAJ-KSSFIOAISA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001481867497 1182838283 /nfs/dbraw/zinc/83/82/83/1182838283.db2.gz CLJIRJKWJMUGBY-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001481869232 1182842595 /nfs/dbraw/zinc/84/25/95/1182842595.db2.gz JOCAKQHQCLHZHX-QZTJIDSGSA-N 2 0 335.467 2.482 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268485496 1182959078 /nfs/dbraw/zinc/95/90/78/1182959078.db2.gz FGDUJTVFHYEQPX-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP C[C@@](C[NH2+]Cc1ccsc1)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481931337 1182978734 /nfs/dbraw/zinc/97/87/34/1182978734.db2.gz NFSDDFCQEKXMBN-HKUYNNGSSA-N 2 0 347.528 2.464 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001268498382 1183032424 /nfs/dbraw/zinc/03/24/24/1183032424.db2.gz OBOWURUDDSRAQC-OAHLLOKOSA-N 2 0 331.451 2.346 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481984930 1183086554 /nfs/dbraw/zinc/08/65/54/1183086554.db2.gz UYFXEUKJMUKLAE-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP O=C(N1CCC(CC[NH2+]C/C=C\Cl)CC1)C12CC[NH+](CC1)C2 ZINC001482007904 1183130192 /nfs/dbraw/zinc/13/01/92/1183130192.db2.gz RZFJKNWZHFVYSM-XFSBKJJWSA-N 2 0 325.884 2.053 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268576970 1183326224 /nfs/dbraw/zinc/32/62/24/1183326224.db2.gz XUEHSLLJVOPYJD-PUBSZHEZSA-N 2 0 331.460 2.112 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCc1ccccc1F ZINC001482103067 1183336230 /nfs/dbraw/zinc/33/62/30/1183336230.db2.gz XNKKFYWBEXUPHN-MAUKXSAKSA-N 2 0 347.478 2.052 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001268587291 1183384570 /nfs/dbraw/zinc/38/45/70/1183384570.db2.gz IEIRKIBVTIZSOK-XEVLESSRSA-N 2 0 331.451 2.270 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001482160360 1183484405 /nfs/dbraw/zinc/48/44/05/1183484405.db2.gz DOZBJKOAESYYGS-CVEARBPZSA-N 2 0 345.487 2.194 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001268802219 1183720319 /nfs/dbraw/zinc/72/03/19/1183720319.db2.gz QXMRNKSRPNRLOW-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268915592 1183823860 /nfs/dbraw/zinc/82/38/60/1183823860.db2.gz ONPMJPXEPKTMFL-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP CN(C(=O)C(C)(C)c1cnc[nH]1)[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001269286718 1184139718 /nfs/dbraw/zinc/13/97/18/1184139718.db2.gz AWYNOGRRAJYXMY-INIZCTEOSA-N 2 0 348.491 2.037 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001482228529 1184348062 /nfs/dbraw/zinc/34/80/62/1184348062.db2.gz JEEMSPVITDPTAC-JYJNAYRXSA-N 2 0 327.488 2.483 10 0 EEAERP O=C(NC1(C[NH2+]CCCF)CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001269558738 1184388273 /nfs/dbraw/zinc/38/82/73/1184388273.db2.gz GDOSODCWGVYBAI-CVEARBPZSA-N 2 0 325.472 2.382 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1)[NH+](C)C ZINC001269588120 1184414125 /nfs/dbraw/zinc/41/41/25/1184414125.db2.gz LGIVMDXJNVGPNH-IAGOWNOFSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001482233408 1184422621 /nfs/dbraw/zinc/42/26/21/1184422621.db2.gz LEGDKQPCXNYKJH-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269741889 1184576856 /nfs/dbraw/zinc/57/68/56/1184576856.db2.gz QIQGDDGDVNNHMZ-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@H]1C ZINC001269989575 1184769591 /nfs/dbraw/zinc/76/95/91/1184769591.db2.gz ULRJIHILTAGZHF-QZTJIDSGSA-N 2 0 347.503 2.375 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001270035667 1184803397 /nfs/dbraw/zinc/80/33/97/1184803397.db2.gz DWIRKTALHZANNI-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cc(C)ns2)CC[N@@H+]1C ZINC001482288936 1185098055 /nfs/dbraw/zinc/09/80/55/1185098055.db2.gz PRSHGQHOEAQLTE-VNQPRFMTSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482295561 1185157364 /nfs/dbraw/zinc/15/73/64/1185157364.db2.gz BOMGLSLFLQCSQA-CZUORRHYSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C/C=C\c1ccccc1 ZINC001270566806 1185176925 /nfs/dbraw/zinc/17/69/25/1185176925.db2.gz CVILATOJPLJKPO-AFCDSYGPSA-N 2 0 327.472 2.138 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482298253 1185179364 /nfs/dbraw/zinc/17/93/64/1185179364.db2.gz IREHDJZIVVJPHR-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001270805206 1185404186 /nfs/dbraw/zinc/40/41/86/1185404186.db2.gz IJROAOPEBFFBAN-SJLPKXTDSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354836 1185493398 /nfs/dbraw/zinc/49/33/98/1185493398.db2.gz USRGAIQWHZICPF-FFRPFHMCSA-N 2 0 329.488 2.478 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482370145 1185535439 /nfs/dbraw/zinc/53/54/39/1185535439.db2.gz RYGTZAYRBFLXCY-INIZCTEOSA-N 2 0 334.508 2.029 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001482413203 1185648983 /nfs/dbraw/zinc/64/89/83/1185648983.db2.gz MNJDKABGHCXSIT-DLBZAZTESA-N 2 0 327.488 2.485 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001270959112 1185773757 /nfs/dbraw/zinc/77/37/57/1185773757.db2.gz SHDAQRRPVABHPZ-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCCF ZINC001271395911 1186186571 /nfs/dbraw/zinc/18/65/71/1186186571.db2.gz UHNJKSVHOKOHKI-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)sn1 ZINC001482531466 1186525949 /nfs/dbraw/zinc/52/59/49/1186525949.db2.gz AHQCJIONXCFSMF-MRXNPFEDSA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1F ZINC001482569821 1186904132 /nfs/dbraw/zinc/90/41/32/1186904132.db2.gz HEZUWRZHXRLBFE-SUMWQHHRSA-N 2 0 339.430 2.147 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272781760 1193495847 /nfs/dbraw/zinc/49/58/47/1193495847.db2.gz JCTLJRKQJZMMJZ-IIDMSEBBSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001482876039 1187795610 /nfs/dbraw/zinc/79/56/10/1187795610.db2.gz FUTHWAJKVKFMIX-ZBFHGGJFSA-N 2 0 347.507 2.062 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001482876037 1187795673 /nfs/dbraw/zinc/79/56/73/1187795673.db2.gz FUTHWAJKVKFMIX-GOEBONIOSA-N 2 0 347.507 2.062 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)nc1 ZINC001482878555 1187797614 /nfs/dbraw/zinc/79/76/14/1187797614.db2.gz YZQFIDDZCWNSKM-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482965553 1187902198 /nfs/dbraw/zinc/90/21/98/1187902198.db2.gz GKGDKMGPAQOQMD-FQEVSTJZSA-N 2 0 347.478 2.292 10 0 EEAERP COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001670937394 1193529597 /nfs/dbraw/zinc/52/95/97/1193529597.db2.gz LOTFMQRSDWVLFB-ALOPSCKCSA-N 2 0 337.508 2.009 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCCOCC)C2 ZINC001671044383 1193552809 /nfs/dbraw/zinc/55/28/09/1193552809.db2.gz GFPGOOAFCCSOKI-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1Cl ZINC001483054174 1188313753 /nfs/dbraw/zinc/31/37/53/1188313753.db2.gz KHZLEKSLUXMICL-ONEGZZNKSA-N 2 0 327.831 2.193 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001409290129 1188602717 /nfs/dbraw/zinc/60/27/17/1188602717.db2.gz RGHPLKHMVFBGCT-ZUEQELCBSA-N 2 0 334.291 2.132 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ncc(C(C)C)o2)CC[N@@H+]1C ZINC001483130539 1188621002 /nfs/dbraw/zinc/62/10/02/1188621002.db2.gz XKODNBGTGIPCHB-QLFBSQMISA-N 2 0 336.480 2.123 10 0 EEAERP CC(C)C[C@H](C(=O)N[C@H](C)CNCc1nccs1)n1ccnc1 ZINC001483138801 1188690969 /nfs/dbraw/zinc/69/09/69/1188690969.db2.gz USXZHXFJGPVOPX-ZIAGYGMSSA-N 2 0 335.477 2.221 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691628933 1188783911 /nfs/dbraw/zinc/78/39/11/1188783911.db2.gz FLYXMQXFUABUBX-QZTJIDSGSA-N 2 0 341.540 2.360 10 0 EEAERP CCOCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001272916507 1193602904 /nfs/dbraw/zinc/60/29/04/1193602904.db2.gz ACVRVYKYYSPNPL-LJQANCHMSA-N 2 0 347.503 2.038 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1Cl)C(=O)Cn1ccnc1 ZINC001691633685 1189416221 /nfs/dbraw/zinc/41/62/21/1189416221.db2.gz IBWBASBIDULFJI-UHFFFAOYSA-N 2 0 341.242 2.438 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001485856545 1193617861 /nfs/dbraw/zinc/61/78/61/1193617861.db2.gz SUOUVLATAURCEY-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001409343421 1189549808 /nfs/dbraw/zinc/54/98/08/1189549808.db2.gz BWRTXCYLTPJGAO-GJZGRUSLSA-N 2 0 345.487 2.184 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001409410956 1189628594 /nfs/dbraw/zinc/62/85/94/1189628594.db2.gz NVAVYEWBUGVGJP-CHWSQXEVSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1ccnc1 ZINC001409468998 1189754730 /nfs/dbraw/zinc/75/47/30/1189754730.db2.gz MVKMUMZYEXSYKT-LSDHHAIUSA-N 2 0 343.475 2.393 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001485918554 1193639912 /nfs/dbraw/zinc/63/99/12/1193639912.db2.gz HLBVDDLAJUXIME-ZDUSSCGKSA-N 2 0 340.537 2.329 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001409666930 1190166067 /nfs/dbraw/zinc/16/60/67/1190166067.db2.gz ADKHYCMVNPTMEU-KSSFIOAISA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001409762885 1190252315 /nfs/dbraw/zinc/25/23/15/1190252315.db2.gz OECUDZIRVBYWOK-MSOLQXFVSA-N 2 0 346.519 2.304 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC001483260042 1190285350 /nfs/dbraw/zinc/28/53/50/1190285350.db2.gz YBHHMYMKWBFBSI-HUBLWGQQSA-N 2 0 338.521 2.085 10 0 EEAERP CCc1ccccc1CC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407997 1190454806 /nfs/dbraw/zinc/45/48/06/1190454806.db2.gz MZCGFDHGLDMKEJ-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486090543 1193678725 /nfs/dbraw/zinc/67/87/25/1193678725.db2.gz BGIPXXKFVKAQRL-RHSMWYFYSA-N 2 0 336.480 2.102 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483455933 1190484953 /nfs/dbraw/zinc/48/49/53/1190484953.db2.gz IMRORQHIBCVASW-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1F)C1CC1)[NH+](C)C ZINC001483601818 1190582761 /nfs/dbraw/zinc/58/27/61/1190582761.db2.gz QNXMPKZTOPBGGX-IAGOWNOFSA-N 2 0 339.430 2.289 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC001483622104 1190607809 /nfs/dbraw/zinc/60/78/09/1190607809.db2.gz LFQFXXUXOOFVSJ-WBVHZDCISA-N 2 0 336.480 2.040 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483655327 1190711895 /nfs/dbraw/zinc/71/18/95/1190711895.db2.gz MWPYRRSSYNNGTN-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCF)CCCCC1 ZINC001272290740 1190745513 /nfs/dbraw/zinc/74/55/13/1190745513.db2.gz OEMRAWOCEUAZCN-JKSUJKDBSA-N 2 0 327.488 2.343 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001483802855 1191044652 /nfs/dbraw/zinc/04/46/52/1191044652.db2.gz VWOCSOBSVPSKAW-PLHDSQEVSA-N 2 0 327.900 2.394 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cncs2)C[C@H]1C ZINC001483914454 1191114625 /nfs/dbraw/zinc/11/46/25/1191114625.db2.gz AECTWRIYFZEAEW-HUUCEWRRSA-N 2 0 338.521 2.344 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1c(F)cccc1F ZINC001483950819 1191129387 /nfs/dbraw/zinc/12/93/87/1191129387.db2.gz SEHFKKFVZDWSAD-AWEZNQCLSA-N 2 0 339.430 2.387 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCc2cccs2)C1 ZINC001483952806 1191129787 /nfs/dbraw/zinc/12/97/87/1191129787.db2.gz OBTSKVFHYPCBLL-CVEARBPZSA-N 2 0 335.517 2.213 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001484097673 1191209629 /nfs/dbraw/zinc/20/96/29/1191209629.db2.gz DDHDJACVTDHOQY-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484108293 1191215451 /nfs/dbraw/zinc/21/54/51/1191215451.db2.gz NOVLZSGPVADPSM-URLQWDBASA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484196048 1191267985 /nfs/dbraw/zinc/26/79/85/1191267985.db2.gz PFZRNYQIKZSJDY-CQSZACIVSA-N 2 0 333.467 2.446 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001484379984 1191323597 /nfs/dbraw/zinc/32/35/97/1191323597.db2.gz FPJTZWQXZQBADF-WBVHZDCISA-N 2 0 335.467 2.352 10 0 EEAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001484573272 1191422287 /nfs/dbraw/zinc/42/22/87/1191422287.db2.gz LDWWSPFFFXVIMO-KZNAEPCWSA-N 2 0 339.524 2.019 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001484639233 1191454334 /nfs/dbraw/zinc/45/43/34/1191454334.db2.gz OSAOBFWDLKUIES-UHFFFAOYSA-N 2 0 349.519 2.060 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001484983786 1191601473 /nfs/dbraw/zinc/60/14/73/1191601473.db2.gz YEOACWQZEMOSPL-GDBMZVCRSA-N 2 0 344.459 2.262 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001485166981 1191676698 /nfs/dbraw/zinc/67/66/98/1191676698.db2.gz DTOFSXLUKYWAAA-VXGBXAGGSA-N 2 0 343.456 2.396 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201992 1191683740 /nfs/dbraw/zinc/68/37/40/1191683740.db2.gz ZHHBTGLERYETMV-QWHCGFSZSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485187250 1191684986 /nfs/dbraw/zinc/68/49/86/1191684986.db2.gz CFOKQNRUHBNRDH-CABCVRRESA-N 2 0 344.459 2.276 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485205140 1191692643 /nfs/dbraw/zinc/69/26/43/1191692643.db2.gz AXGQGJJEZYJMGV-HZPDHXFCSA-N 2 0 331.504 2.500 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214567 1191696377 /nfs/dbraw/zinc/69/63/77/1191696377.db2.gz GSYXJMRROPRHDJ-CVEARBPZSA-N 2 0 347.503 2.084 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001485238783 1191705408 /nfs/dbraw/zinc/70/54/08/1191705408.db2.gz ODYVPVRTHRGKKW-DAWZGUTISA-N 2 0 339.524 2.255 10 0 EEAERP Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)cs1 ZINC001485265499 1191711144 /nfs/dbraw/zinc/71/11/44/1191711144.db2.gz CBBRZOFISWAWNF-UHFFFAOYSA-N 2 0 340.537 2.366 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cncc(C)c2)C1 ZINC001485341385 1191746286 /nfs/dbraw/zinc/74/62/86/1191746286.db2.gz HBOFTYWSPIFDEQ-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C/C=C\c1ccccc1 ZINC001485348857 1191749835 /nfs/dbraw/zinc/74/98/35/1191749835.db2.gz BXXUFEKRYQDXAO-HJPCAMOWSA-N 2 0 329.488 2.478 10 0 EEAERP COCCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001485501978 1191817287 /nfs/dbraw/zinc/81/72/87/1191817287.db2.gz CRKVDUPTAOHXHK-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486235096 1193787196 /nfs/dbraw/zinc/78/71/96/1193787196.db2.gz RTWGFCCMSMQOTR-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC(C)C)C1 ZINC001486453212 1193974902 /nfs/dbraw/zinc/97/49/02/1193974902.db2.gz XAAOPDIOMFRXTD-KBPBESRZSA-N 2 0 337.430 2.353 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCC(C)C)C1 ZINC001486482983 1193997088 /nfs/dbraw/zinc/99/70/88/1193997088.db2.gz AMVLQXTWIXWQHY-ABHNRTSZSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001272954750 1194220737 /nfs/dbraw/zinc/22/07/37/1194220737.db2.gz MCTYICHQWAUSQS-CABCVRRESA-N 2 0 336.480 2.267 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122815 1194405799 /nfs/dbraw/zinc/40/57/99/1194405799.db2.gz ICTFVQBLKBJYHA-QWHCGFSZSA-N 2 0 348.318 2.151 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273123693 1194407048 /nfs/dbraw/zinc/40/70/48/1194407048.db2.gz YFUBVXOKOPXFMF-HOTGVXAUSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[NH+]1CCCCCC1 ZINC001410107773 1197551965 /nfs/dbraw/zinc/55/19/65/1197551965.db2.gz FRLXBAMCOCPTLT-DSLXNQLJSA-N 2 0 333.520 2.345 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001410183035 1197590233 /nfs/dbraw/zinc/59/02/33/1197590233.db2.gz LCEPRUHGOSZWGS-MELADBBJSA-N 2 0 335.414 2.107 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(Cl)s2)C1)[NH+](C)C ZINC001410224298 1197615050 /nfs/dbraw/zinc/61/50/50/1197615050.db2.gz NVLCAIYJNMOEIR-GVXVVHGQSA-N 2 0 344.912 2.121 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001410499270 1198052299 /nfs/dbraw/zinc/05/22/99/1198052299.db2.gz CVUBPZCTNYOIET-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001410501909 1198056707 /nfs/dbraw/zinc/05/67/07/1198056707.db2.gz HZTMHRCGWMGXLD-YJBOKZPZSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@H+](CCCCCC[NH3+])Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000872155872 1198063026 /nfs/dbraw/zinc/06/30/26/1198063026.db2.gz ZGLCPPOIWCTLEM-UHFFFAOYSA-N 2 0 343.493 2.015 10 0 EEAERP COc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001410510564 1198067490 /nfs/dbraw/zinc/06/74/90/1198067490.db2.gz NIDNUGAWCTUSNM-AWEZNQCLSA-N 2 0 339.455 2.111 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208002 1198087185 /nfs/dbraw/zinc/08/71/85/1198087185.db2.gz MKHNUOVSCDPADN-HBMCJLEFSA-N 2 0 346.515 2.400 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000872228844 1198099509 /nfs/dbraw/zinc/09/95/09/1198099509.db2.gz LXGRRQCYFAZZNY-UYJHFMRCSA-N 2 0 343.512 2.115 10 0 EEAERP Cc1ccc(NC(=S)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000865245188 1198138817 /nfs/dbraw/zinc/13/88/17/1198138817.db2.gz HHNCAYSCELKXRA-HZPDHXFCSA-N 2 0 334.533 2.363 10 0 EEAERP CC(C)CN(CC1CC[NH+](C)CC1)C(=S)NC1CC[NH+](C)CC1 ZINC000865272072 1198150508 /nfs/dbraw/zinc/15/05/08/1198150508.db2.gz LLJIESXMYJQPSC-UHFFFAOYSA-N 2 0 340.581 2.255 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000865765923 1198366744 /nfs/dbraw/zinc/36/67/44/1198366744.db2.gz SGCOCIDLILEOSZ-UHFFFAOYSA-N 2 0 339.505 2.411 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cccc(C(F)(F)F)n2)C[C@H]1C[NH+](C)C ZINC000866012261 1198454287 /nfs/dbraw/zinc/45/42/87/1198454287.db2.gz WCXKNLUHFHGACF-CHWSQXEVSA-N 2 0 330.398 2.276 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2F)C[C@H]1C ZINC001410837371 1198480877 /nfs/dbraw/zinc/48/08/77/1198480877.db2.gz BFAGRJIYNFHDEY-NVXWUHKLSA-N 2 0 335.467 2.287 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cnc(Cl)s2)C[C@@H]1C ZINC001410845499 1198495871 /nfs/dbraw/zinc/49/58/71/1198495871.db2.gz IEYDIEMUKUAYEG-NWDGAFQWSA-N 2 0 344.912 2.216 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001410920813 1198579337 /nfs/dbraw/zinc/57/93/37/1198579337.db2.gz KQJBQTMVHBVSHU-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001411229088 1198939656 /nfs/dbraw/zinc/93/96/56/1198939656.db2.gz CIUAJXOJYCMCEL-QGZVFWFLSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001411231475 1198941543 /nfs/dbraw/zinc/94/15/43/1198941543.db2.gz BNDCWOKPNLLANI-QQFBHYJXSA-N 2 0 325.472 2.190 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000870876334 1200924952 /nfs/dbraw/zinc/92/49/52/1200924952.db2.gz LEHMIAJDUYPZEJ-OIPACUDHSA-N 2 0 333.501 2.204 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870946949 1200971542 /nfs/dbraw/zinc/97/15/42/1200971542.db2.gz LZLRHWMBHMQWFA-MFKMUULPSA-N 2 0 328.254 2.083 10 0 EEAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000870994133 1200995564 /nfs/dbraw/zinc/99/55/64/1200995564.db2.gz NQJIBXDJJFJEHI-IBGZPJMESA-N 2 0 332.492 2.250 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2c3ccccc3CN2C)C[N@@H+]1C1CC1 ZINC000868382872 1201803368 /nfs/dbraw/zinc/80/33/68/1201803368.db2.gz NFTWKUBNCSUCID-SIIHOXLZSA-N 2 0 328.460 2.098 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1nccs1 ZINC001691728003 1204234392 /nfs/dbraw/zinc/23/43/92/1204234392.db2.gz NPLWNWMRRSZJCD-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001279182873 1204338077 /nfs/dbraw/zinc/33/80/77/1204338077.db2.gz ZKMHUXYNZAPQPK-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001274035344 1204338126 /nfs/dbraw/zinc/33/81/26/1204338126.db2.gz KZBUKTXSUQXLOJ-WYIDIVSCSA-N 2 0 333.451 2.318 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274105856 1204373268 /nfs/dbraw/zinc/37/32/68/1204373268.db2.gz PZMJEEBZPIPELJ-DVBCCOPCSA-N 2 0 332.492 2.047 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CCc2ccccc2Cl)C1 ZINC001274367998 1205011442 /nfs/dbraw/zinc/01/14/42/1205011442.db2.gz ILHJOTCAVZUACE-APHBUQMISA-N 2 0 349.906 2.486 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCC(F)(F)F)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274431383 1205034408 /nfs/dbraw/zinc/03/44/08/1205034408.db2.gz ZBFSBSWQSYGTIC-BXHLDNEWSA-N 2 0 333.398 2.218 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001274512381 1205063059 /nfs/dbraw/zinc/06/30/59/1205063059.db2.gz WZFPJHRZMHYABO-VNHAASDWSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001274893764 1205202988 /nfs/dbraw/zinc/20/29/88/1205202988.db2.gz BDFDHESDXPYMRO-IPYPFGDCSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001275407196 1205344075 /nfs/dbraw/zinc/34/40/75/1205344075.db2.gz SADLPDUSTLQRFE-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP CCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+]1CCCC1 ZINC001411756777 1205512976 /nfs/dbraw/zinc/51/29/76/1205512976.db2.gz PUULQZOZJLEQLF-KRWDZBQOSA-N 2 0 346.523 2.001 10 0 EEAERP O=C(CCn1ccnc1)N[C@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001275780643 1205524200 /nfs/dbraw/zinc/52/42/00/1205524200.db2.gz KNJOLLHSPCQLAY-KBPBESRZSA-N 2 0 346.397 2.490 10 0 EEAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001276123317 1205785962 /nfs/dbraw/zinc/78/59/62/1205785962.db2.gz XRZZVUAEEBPELP-FARCUNLSSA-N 2 0 333.823 2.072 10 0 EEAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000925239536 1206086251 /nfs/dbraw/zinc/08/62/51/1206086251.db2.gz FUHRPAGBLFLHQN-QRQLOZEOSA-N 2 0 336.524 2.386 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000925499263 1206119749 /nfs/dbraw/zinc/11/97/49/1206119749.db2.gz NQZDCDCSQGDRQW-JHJVBQTASA-N 2 0 328.403 2.200 10 0 EEAERP CC1(C)[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504864 1206120849 /nfs/dbraw/zinc/12/08/49/1206120849.db2.gz MBSOODBTRAIYDK-SQNIBIBYSA-N 2 0 335.536 2.388 10 0 EEAERP c1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925806165 1206155792 /nfs/dbraw/zinc/15/57/92/1206155792.db2.gz YBJSEQCCCPCNGB-XUVXKRRUSA-N 2 0 340.471 2.162 10 0 EEAERP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000925832220 1206158396 /nfs/dbraw/zinc/15/83/96/1206158396.db2.gz BZSTWIMGDNJART-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)CC12CC[NH2+]CC2 ZINC000925849366 1206160485 /nfs/dbraw/zinc/16/04/85/1206160485.db2.gz IQMGMFCLIYADOQ-XJKSGUPXSA-N 2 0 330.428 2.045 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC12CC[NH2+]CC2 ZINC000925853648 1206161218 /nfs/dbraw/zinc/16/12/18/1206161218.db2.gz QDMAUMJASFFZOP-MLGOLLRUSA-N 2 0 336.382 2.227 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000925875252 1206163111 /nfs/dbraw/zinc/16/31/11/1206163111.db2.gz DTBMSHHYLOSHKW-FMKPAKJESA-N 2 0 337.489 2.005 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925909130 1206166970 /nfs/dbraw/zinc/16/69/70/1206166970.db2.gz CBAIOKGJIKIUQK-NJAFHUGGSA-N 2 0 347.507 2.056 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1cccnc1 ZINC000928827690 1206424934 /nfs/dbraw/zinc/42/49/34/1206424934.db2.gz DHYKWMLAUDITIR-SQNIBIBYSA-N 2 0 330.476 2.208 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000929471710 1206478539 /nfs/dbraw/zinc/47/85/39/1206478539.db2.gz YETIVCYGHTXTBC-LJQANCHMSA-N 2 0 347.503 2.079 10 0 EEAERP C[N@@H+]1CC[C@@]2(CCN([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310517 1212501944 /nfs/dbraw/zinc/50/19/44/1212501944.db2.gz OJLVQIPSUCZJLN-AZUAARDMSA-N 2 0 327.472 2.205 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@@H](O)CN3C)c2C1 ZINC000901152571 1235288156 /nfs/dbraw/zinc/28/81/56/1235288156.db2.gz PDXJVRZKQPWJBE-DNVCBOLYSA-N 2 0 331.460 2.052 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901360968 1235604624 /nfs/dbraw/zinc/60/46/24/1235604624.db2.gz MKSOAOQTXZTLRW-WMZOPIPTSA-N 2 0 327.472 2.109 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000903442620 1240486793 /nfs/dbraw/zinc/48/67/93/1240486793.db2.gz UTKKSZZCPOGXLK-OCCSQVGLSA-N 2 0 336.867 2.241 10 0 EEAERP FC(F)(F)CCN1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957689 1242720072 /nfs/dbraw/zinc/72/00/72/1242720072.db2.gz SNCUZWSRTJJTAW-LLVKDONJSA-N 2 0 329.357 2.238 10 0 EEAERP CC[NH+]1CCC(CNC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000827631777 1248514981 /nfs/dbraw/zinc/51/49/81/1248514981.db2.gz QKIMQAUIUNLEOU-HNNXBMFYSA-N 2 0 338.883 2.281 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491154065 1258730721 /nfs/dbraw/zinc/73/07/21/1258730721.db2.gz ZZULNXPIWCKRPR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C2CC2)no1 ZINC001272774375 1277942048 /nfs/dbraw/zinc/94/20/48/1277942048.db2.gz USHBTBUVBGZLRW-RDTXWAMCSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C[NH2+]CCCF)C1 ZINC001489055894 1290345545 /nfs/dbraw/zinc/34/55/45/1290345545.db2.gz ICCIPYRVSYAKLY-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cnoc1C ZINC001490345311 1291163311 /nfs/dbraw/zinc/16/33/11/1291163311.db2.gz ZONIDQUNWMGEFE-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001490421734 1291332848 /nfs/dbraw/zinc/33/28/48/1291332848.db2.gz MXKYUMTXGPESTF-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(C=C1CC[NH2+]CC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000852868396 1292221697 /nfs/dbraw/zinc/22/16/97/1292221697.db2.gz RSPSAFSMBHAGAW-UHFFFAOYSA-N 2 0 343.471 2.087 10 0 EEAERP CC[C@@H]1CN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000856408192 1293516507 /nfs/dbraw/zinc/51/65/07/1293516507.db2.gz IEQWCKJXVKSTPS-FHFUJXRGSA-N 2 0 345.487 2.239 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn[nH]c3)C2)ccn1 ZINC000856560099 1293566562 /nfs/dbraw/zinc/56/65/62/1293566562.db2.gz VPBAZSNTXYVWOA-SFHVURJKSA-N 2 0 329.448 2.298 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1(C)C ZINC000858175382 1294033049 /nfs/dbraw/zinc/03/30/49/1294033049.db2.gz MEVNGYQXSORQNL-HUUCEWRRSA-N 2 0 341.496 2.085 10 0 EEAERP CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001276779990 1297624900 /nfs/dbraw/zinc/62/49/00/1297624900.db2.gz UVPHCIIJMWWULZ-KDOFPFPSSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncn1C ZINC001277314248 1302342366 /nfs/dbraw/zinc/34/23/66/1302342366.db2.gz OWFVVGIUHJDCNV-FUHWJXTLSA-N 2 0 349.523 2.058 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355846 1302613924 /nfs/dbraw/zinc/61/39/24/1302613924.db2.gz NFWAJHCMVLDCAY-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1cccc([C@H](C)[N@H+](C)CCOCCNC(=O)[C@H]2CCC[NH+]2C)c1 ZINC001277476519 1303575808 /nfs/dbraw/zinc/57/58/08/1303575808.db2.gz XTIZNUAKCMZZAH-PKOBYXMFSA-N 2 0 347.503 2.215 10 0 EEAERP CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001277696387 1304206534 /nfs/dbraw/zinc/20/65/34/1304206534.db2.gz WVHBCBKGFWSTNH-YJBOKZPZSA-N 2 0 345.478 2.385 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)CC[N@@H+]1C ZINC000697086678 1304315587 /nfs/dbraw/zinc/31/55/87/1304315587.db2.gz QAOFFLICQCGDBX-GJZGRUSLSA-N 2 0 341.496 2.133 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277770399 1304378488 /nfs/dbraw/zinc/37/84/88/1304378488.db2.gz CQMZYLFKAOZNBX-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001277864750 1304964223 /nfs/dbraw/zinc/96/42/23/1304964223.db2.gz AUEGUMIDQSIQPW-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116800964 1305919085 /nfs/dbraw/zinc/91/90/85/1305919085.db2.gz NVQVXKHMRPAYOV-KRWDZBQOSA-N 2 0 349.438 2.170 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@]2(C)CC[N@H+](CCCCCF)C2)CC1 ZINC001278427289 1310222593 /nfs/dbraw/zinc/22/25/93/1310222593.db2.gz QSCHOKZRPDRCRO-GOSISDBHSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)CCCC[NH+](C)C)CCC[C@H]23)on1 ZINC001278467212 1310440256 /nfs/dbraw/zinc/44/02/56/1310440256.db2.gz OXCYVTBUVAAXNJ-PKOBYXMFSA-N 2 0 348.491 2.328 10 0 EEAERP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000843121299 1315847826 /nfs/dbraw/zinc/84/78/26/1315847826.db2.gz CMDJPWOGBBAOED-KRWDZBQOSA-N 2 0 326.444 2.054 10 0 EEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000843360882 1315900425 /nfs/dbraw/zinc/90/04/25/1315900425.db2.gz LEKBPDFFCVEMHZ-RLAWYHOSSA-N 2 0 333.398 2.132 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC001278684721 1317706445 /nfs/dbraw/zinc/70/64/45/1317706445.db2.gz JUSZGGMXHSBGDN-KRWDZBQOSA-N 2 0 332.492 2.140 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001264495369 1322710095 /nfs/dbraw/zinc/71/00/95/1322710095.db2.gz HEOFMMZJSSHCBA-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)co1 ZINC001264517245 1322721604 /nfs/dbraw/zinc/72/16/04/1322721604.db2.gz CXLDFTWTTPMTPY-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001264536184 1322727086 /nfs/dbraw/zinc/72/70/86/1322727086.db2.gz NIUDJQUOLWJAAZ-BRWVUGGUSA-N 2 0 341.540 2.216 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001264646405 1322765122 /nfs/dbraw/zinc/76/51/22/1322765122.db2.gz NJQNUCVJTPPQNB-FGTMMUONSA-N 2 0 339.499 2.391 10 0 EEAERP CN(CCOCC[N@H+](C)CC1CCCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001264662413 1322770505 /nfs/dbraw/zinc/77/05/05/1322770505.db2.gz FRMQHEAUBHNRMW-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264679849 1322780738 /nfs/dbraw/zinc/78/07/38/1322780738.db2.gz MNUSPKMVRJWXOO-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H](C[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001265005611 1322852602 /nfs/dbraw/zinc/85/26/02/1322852602.db2.gz CGHNLPAWTBCDEC-INIZCTEOSA-N 2 0 332.448 2.119 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cnc(C)o1 ZINC001265147857 1322948426 /nfs/dbraw/zinc/94/84/26/1322948426.db2.gz MWOBSSVUDQRYCI-GJZGRUSLSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC001265316872 1323064244 /nfs/dbraw/zinc/06/42/44/1323064244.db2.gz FCTCYKIRPIGYRF-SFHVURJKSA-N 2 0 345.487 2.132 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1nc2ccccc2o1 ZINC001265874521 1323447297 /nfs/dbraw/zinc/44/72/97/1323447297.db2.gz GEBAUULTUGLYLG-MRXNPFEDSA-N 2 0 344.459 2.250 10 0 EEAERP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265975413 1323535439 /nfs/dbraw/zinc/53/54/39/1323535439.db2.gz AANGBCFMCXZQBH-HOTGVXAUSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1)[NH+](C)C ZINC001265989094 1323547573 /nfs/dbraw/zinc/54/75/73/1323547573.db2.gz BHKKPMKXWQYDSK-LJJZPKPQSA-N 2 0 329.488 2.478 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cnccn1 ZINC001266042690 1323592694 /nfs/dbraw/zinc/59/26/94/1323592694.db2.gz LPRQRWSHVXMWAN-WMZOPIPTSA-N 2 0 347.507 2.239 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cnc(C)o1 ZINC001266092229 1323651501 /nfs/dbraw/zinc/65/15/01/1323651501.db2.gz MYJZWUOSIAXYCA-SJLPKXTDSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](Cc2ccccc2F)C2CC2)C1 ZINC001266174686 1323742546 /nfs/dbraw/zinc/74/25/46/1323742546.db2.gz QMUHHNBMILZIOU-INIZCTEOSA-N 2 0 333.451 2.248 10 0 EEAERP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654011 1323970589 /nfs/dbraw/zinc/97/05/89/1323970589.db2.gz LZDWMGMQXHAPFU-SJORKVTESA-N 2 0 337.508 2.034 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001279669384 1323976072 /nfs/dbraw/zinc/97/60/72/1323976072.db2.gz XVUZZOOFLANLTO-KRWDZBQOSA-N 2 0 345.462 2.416 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CC2=CCCCC2)CCOCC1)[NH+](C)C ZINC001281266893 1324924571 /nfs/dbraw/zinc/92/45/71/1324924571.db2.gz UKHNVSXPXFSUTG-KRWDZBQOSA-N 2 0 337.508 2.082 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCc1cccs1 ZINC001281457881 1325122237 /nfs/dbraw/zinc/12/22/37/1325122237.db2.gz MGFBKRPYUKIIJE-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP CCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001282929278 1325839219 /nfs/dbraw/zinc/83/92/19/1325839219.db2.gz OXUHCLMJRDFACZ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001283147760 1325934903 /nfs/dbraw/zinc/93/49/03/1325934903.db2.gz XLRKDLQFBGUYMS-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP CN(C(=O)CC[NH+]1CCCCC1)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001283556586 1326129951 /nfs/dbraw/zinc/12/99/51/1326129951.db2.gz KECPPOBWXLGHGU-GEZBDVBVSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccsc1 ZINC001283613640 1326162974 /nfs/dbraw/zinc/16/29/74/1326162974.db2.gz YQWFCAZSRVXKHL-YJBOKZPZSA-N 2 0 349.544 2.459 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCOCC(C)C)CC2)[NH+](C)C ZINC001284073202 1326394352 /nfs/dbraw/zinc/39/43/52/1326394352.db2.gz ZNKPHXWFCHEUGF-ZIFCJYIRSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284874938 1326754668 /nfs/dbraw/zinc/75/46/68/1326754668.db2.gz RUTCMIBUAKMQJY-PKOBYXMFSA-N 2 0 347.503 2.215 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1F ZINC001491682489 1330204357 /nfs/dbraw/zinc/20/43/57/1330204357.db2.gz LWASUXXDJDWFRJ-MAUKXSAKSA-N 2 0 335.467 2.337 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001491685756 1330205676 /nfs/dbraw/zinc/20/56/76/1330205676.db2.gz YXFXZLXQSJPQIW-YJBOKZPZSA-N 2 0 347.503 2.472 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001491845342 1330272012 /nfs/dbraw/zinc/27/20/12/1330272012.db2.gz KKOMIBCJHNXESC-GOSISDBHSA-N 2 0 333.520 2.347 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCOC2CCC2)C1)C1CCC1 ZINC001491874260 1330283668 /nfs/dbraw/zinc/28/36/68/1330283668.db2.gz MQQHWYHHXQWPKB-JKSUJKDBSA-N 2 0 337.508 2.057 10 0 EEAERP C[N@H+](CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCO)C1)C1CCCCC1 ZINC001491881416 1330287154 /nfs/dbraw/zinc/28/71/54/1330287154.db2.gz GFMUJOBMCHTEFG-DLBZAZTESA-N 2 0 339.524 2.040 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001491890949 1330291625 /nfs/dbraw/zinc/29/16/25/1330291625.db2.gz GZBDDYGGBUVGET-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001491951542 1330343436 /nfs/dbraw/zinc/34/34/36/1330343436.db2.gz IXOIDXASPQIVPQ-QAPCUYQASA-N 2 0 345.478 2.481 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CCCF)CC[N@@H+]1C ZINC001492166151 1331031834 /nfs/dbraw/zinc/03/18/34/1331031834.db2.gz HXMIENQARWVTJA-ULQDDVLXSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@@H]1CC1(Cl)Cl ZINC001317478176 1331628369 /nfs/dbraw/zinc/62/83/69/1331628369.db2.gz WJARGFVGHIEXDK-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317262323 1332157160 /nfs/dbraw/zinc/15/71/60/1332157160.db2.gz WWCVKYDWTYJALV-ROUUACIJSA-N 2 0 347.503 2.343 10 0 EEAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317355191 1332192132 /nfs/dbraw/zinc/19/21/32/1332192132.db2.gz DVUJABRUPXEQLM-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001317421569 1332225125 /nfs/dbraw/zinc/22/51/25/1332225125.db2.gz DEFSNZWGYIEGTD-SJORKVTESA-N 2 0 325.472 2.049 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001317530461 1332286479 /nfs/dbraw/zinc/28/64/79/1332286479.db2.gz XKYDSHYMRRAYSQ-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)CCC[NH+](C)C ZINC001317633950 1332339317 /nfs/dbraw/zinc/33/93/17/1332339317.db2.gz MTOFAYDLFYKWEI-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCNCc1coc(-c2ccccc2)n1 ZINC001317664678 1332359124 /nfs/dbraw/zinc/35/91/24/1332359124.db2.gz NHSYFZZHGIDABD-UHFFFAOYSA-N 2 0 344.459 2.230 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001317693093 1332376091 /nfs/dbraw/zinc/37/60/91/1332376091.db2.gz FCXRVCBSBJSDRE-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001318577467 1332562844 /nfs/dbraw/zinc/56/28/44/1332562844.db2.gz SFXPLFWQWCJTHW-OCCSQVGLSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCCC1CCOCC1 ZINC001319209282 1332665737 /nfs/dbraw/zinc/66/57/37/1332665737.db2.gz OIOALEHZIGGMLP-FUHWJXTLSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319460883 1332705678 /nfs/dbraw/zinc/70/56/78/1332705678.db2.gz RMHZWVYFRBRPPQ-XLIONFOSSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001319533962 1332717164 /nfs/dbraw/zinc/71/71/64/1332717164.db2.gz MDUUPYMOEMKJQI-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319609395 1332728150 /nfs/dbraw/zinc/72/81/50/1332728150.db2.gz LRWAJNSJMRBCMT-VPIBYOGUSA-N 2 0 327.900 2.201 10 0 EEAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001319788504 1332768084 /nfs/dbraw/zinc/76/80/84/1332768084.db2.gz ORGXLJJIIBWOIG-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319789693 1332768477 /nfs/dbraw/zinc/76/84/77/1332768477.db2.gz AGPUTEBHRKKVJF-RDJZCZTQSA-N 2 0 348.491 2.050 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320417392 1332878726 /nfs/dbraw/zinc/87/87/26/1332878726.db2.gz ZQNSSWPAWKMNIR-HNAYVOBHSA-N 2 0 347.478 2.482 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001320447729 1332885917 /nfs/dbraw/zinc/88/59/17/1332885917.db2.gz SVVDMTPDARBFJH-KBXCAEBGSA-N 2 0 348.491 2.374 10 0 EEAERP CCN(CC[NH2+]Cc1cc(O)ccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001320694696 1332936733 /nfs/dbraw/zinc/93/67/33/1332936733.db2.gz VCEYFACSCFOXEF-INIZCTEOSA-N 2 0 339.867 2.078 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccc2cccnc21)[NH+](C)C ZINC001321113391 1333022681 /nfs/dbraw/zinc/02/26/81/1333022681.db2.gz XWLNYOAWNSWHRB-DUMMIQTOSA-N 2 0 340.471 2.337 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC001321755198 1333153187 /nfs/dbraw/zinc/15/31/87/1333153187.db2.gz AELNZYXYJYSABO-MJGOQNOKSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001322004546 1333194145 /nfs/dbraw/zinc/19/41/45/1333194145.db2.gz RSVVGUKAYZVUEF-KRWDZBQOSA-N 2 0 331.504 2.445 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001322549998 1333281298 /nfs/dbraw/zinc/28/12/98/1333281298.db2.gz UZDHKYPIVOFOBQ-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001322693325 1333308540 /nfs/dbraw/zinc/30/85/40/1333308540.db2.gz FPNZMSDZUWDZSL-MRXNPFEDSA-N 2 0 349.523 2.052 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322830551 1333335410 /nfs/dbraw/zinc/33/54/10/1333335410.db2.gz BWPDANXQCSEHRT-RBUKOAKNSA-N 2 0 343.515 2.496 10 0 EEAERP CN(CCC[NH2+]CCc1c(F)cccc1F)C(=O)C[NH+]1CCCC1 ZINC001322834504 1333336706 /nfs/dbraw/zinc/33/67/06/1333336706.db2.gz DWSABFIRLYZONM-UHFFFAOYSA-N 2 0 339.430 2.041 10 0 EEAERP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CN(CC)CCO1)c1ccccc1 ZINC001322841172 1333338289 /nfs/dbraw/zinc/33/82/89/1333338289.db2.gz DNAXADJVJQJYLF-RTBURBONSA-N 2 0 347.503 2.297 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001324260018 1333644105 /nfs/dbraw/zinc/64/41/05/1333644105.db2.gz FCCHVLQSLOIMFD-AUEWMVCUSA-N 2 0 339.911 2.442 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001325563087 1333912601 /nfs/dbraw/zinc/91/26/01/1333912601.db2.gz WFJDDSUDLHOGAS-WBVHZDCISA-N 2 0 337.533 2.317 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919319 1333995442 /nfs/dbraw/zinc/99/54/42/1333995442.db2.gz HTWDTNXJJVWKOC-QZTJIDSGSA-N 2 0 348.491 2.280 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC001326748487 1334153914 /nfs/dbraw/zinc/15/39/14/1334153914.db2.gz BVVYSMJKVVYIFF-HOTGVXAUSA-N 2 0 330.476 2.155 10 0 EEAERP Cc1conc1C[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001328039192 1334383014 /nfs/dbraw/zinc/38/30/14/1334383014.db2.gz OGKSOKLJRBWTFJ-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)OCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001329240693 1334613266 /nfs/dbraw/zinc/61/32/66/1334613266.db2.gz LPQGKHNQVUHIPC-DAWZGUTISA-N 2 0 339.524 2.255 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001329255752 1334615429 /nfs/dbraw/zinc/61/54/29/1334615429.db2.gz MGLLKBVPHJCPLY-WWDZGPRUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[N@@H+]2CC[C@]3(NC(=O)CCCC[NH+](C)C)CCC[C@H]23)o1 ZINC001332119608 1335734797 /nfs/dbraw/zinc/73/47/97/1335734797.db2.gz SROXWTBHQKUJGW-PKOBYXMFSA-N 2 0 348.491 2.328 10 0 EEAERP [NH2+]=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CCCO1 ZINC000849011340 1338823071 /nfs/dbraw/zinc/82/30/71/1338823071.db2.gz NETHVWRZHSFODR-GOSISDBHSA-N 2 0 330.476 2.465 10 0 EEAERP Cc1ccc([C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849095041 1338837565 /nfs/dbraw/zinc/83/75/65/1338837565.db2.gz VOHGEPZRYRPMSN-SJLPKXTDSA-N 2 0 330.476 2.377 10 0 EEAERP C[C@H]1CN(C(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000849094224 1338838154 /nfs/dbraw/zinc/83/81/54/1338838154.db2.gz XAPNYVIVMSDGPN-INIZCTEOSA-N 2 0 330.476 2.144 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001666162548 1355472543 /nfs/dbraw/zinc/47/25/43/1355472543.db2.gz PKYDHWZEIHIREN-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001666195750 1355482092 /nfs/dbraw/zinc/48/20/92/1355482092.db2.gz ZBOXLIZOKOJGSN-IBGZPJMESA-N 2 0 329.488 2.499 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1Cc1cc2ccccc2o1)C(=O)CC[NH+](C)C ZINC001436320131 1342024388 /nfs/dbraw/zinc/02/43/88/1342024388.db2.gz PHRJWEVBOSAESW-INIZCTEOSA-N 2 0 329.444 2.417 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1)[NH+](C)C ZINC001436354803 1342047753 /nfs/dbraw/zinc/04/77/53/1342047753.db2.gz CEMSIGBUKGMKFU-LESCRADOSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001670138991 1356283416 /nfs/dbraw/zinc/28/34/16/1356283416.db2.gz SPDDDULTDGSJDS-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001500291849 1342139560 /nfs/dbraw/zinc/13/95/60/1342139560.db2.gz DIRHYYZGMYYWOC-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001500352247 1342177742 /nfs/dbraw/zinc/17/77/42/1342177742.db2.gz QMTQKYSYUWEDOX-AFDQWNBZSA-N 2 0 333.879 2.247 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]Cc2cccnc2)C1 ZINC001500392475 1342185412 /nfs/dbraw/zinc/18/54/12/1342185412.db2.gz BLAVLMBCWHBKSO-LJQANCHMSA-N 2 0 332.492 2.142 10 0 EEAERP Cc1cccnc1C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001676001347 1357085524 /nfs/dbraw/zinc/08/55/24/1357085524.db2.gz IKKYFQBAMPAEGS-DLBZAZTESA-N 2 0 332.492 2.106 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1cnoc1C)C1CC1 ZINC001566604393 1342576867 /nfs/dbraw/zinc/57/68/67/1342576867.db2.gz XZPLMBXEODQTHW-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567017190 1342679568 /nfs/dbraw/zinc/67/95/68/1342679568.db2.gz VOYQJOFGQREYQM-ZFWWWQNUSA-N 2 0 338.883 2.202 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1 ZINC001567504370 1342773785 /nfs/dbraw/zinc/77/37/85/1342773785.db2.gz HWZHAVYZTARNPM-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP CCCCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001569674814 1342922200 /nfs/dbraw/zinc/92/22/00/1342922200.db2.gz LLUPNCZZGIPVHG-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001571518105 1343226448 /nfs/dbraw/zinc/22/64/48/1343226448.db2.gz AVUFAXYIHASBME-IAGOWNOFSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC/C=C/c1ccccc1 ZINC001676481056 1357155856 /nfs/dbraw/zinc/15/58/56/1357155856.db2.gz OSZDCZZIDRDCDH-QWRNQZPISA-N 2 0 329.488 2.478 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001676874336 1357228272 /nfs/dbraw/zinc/22/82/72/1357228272.db2.gz XUNJIKYZZZXQIV-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCOC2CCC2)C(C)(C)C)CCC1 ZINC001677258115 1357303137 /nfs/dbraw/zinc/30/31/37/1357303137.db2.gz RPWKEKTWPUMQMN-MRXNPFEDSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(F)cc1 ZINC001647226464 1353198068 /nfs/dbraw/zinc/19/80/68/1353198068.db2.gz ICFWLRLSLKZQNJ-YQVWRLOYSA-N 2 0 348.466 2.260 10 0 EEAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001647244242 1353204896 /nfs/dbraw/zinc/20/48/96/1353204896.db2.gz RNGSJGOSOGWDFW-ZSYWTGECSA-N 2 0 327.472 2.237 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N2C[C@]34C[NH+](C)C[C@@]3(C2)CCCC4)C1 ZINC001649278637 1353454590 /nfs/dbraw/zinc/45/45/90/1353454590.db2.gz MGJFWPVYZYQCMX-YSIASYRMSA-N 2 0 348.535 2.236 10 0 EEAERP COCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001671414494 1353556307 /nfs/dbraw/zinc/55/63/07/1353556307.db2.gz GBTWHQOZMJVBRM-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1[nH]c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1C(=O)OC ZINC001650002792 1353683536 /nfs/dbraw/zinc/68/35/36/1353683536.db2.gz MNWLFNSTAKWJAY-INIZCTEOSA-N 2 0 349.475 2.097 10 0 EEAERP CCN1CCO[C@H](C(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001650612132 1354022251 /nfs/dbraw/zinc/02/22/51/1354022251.db2.gz QKHGOTVWJCMHSM-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCCCOC ZINC001656745923 1354270829 /nfs/dbraw/zinc/27/08/29/1354270829.db2.gz TWDFHRYIRBWBCY-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2cccc(N(C)C)c2)C1 ZINC001660303747 1354435014 /nfs/dbraw/zinc/43/50/14/1354435014.db2.gz DEIXSRXEOJHZTM-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC001660400424 1354457869 /nfs/dbraw/zinc/45/78/69/1354457869.db2.gz TVOAWGHMGJTFDB-CRAIPNDOSA-N 2 0 333.451 2.203 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001661201483 1354604370 /nfs/dbraw/zinc/60/43/70/1354604370.db2.gz BTLIVYACHXYVOK-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1Cl ZINC001662415160 1354793000 /nfs/dbraw/zinc/79/30/00/1354793000.db2.gz PTKSAVSLVGRWLJ-HOCLYGCPSA-N 2 0 337.895 2.319 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001662778112 1354844540 /nfs/dbraw/zinc/84/45/40/1354844540.db2.gz CJJCQIJYIFXQRA-HZPDHXFCSA-N 2 0 327.513 2.018 10 0 EEAERP Cn1cncc1CCC(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC001663120815 1354922271 /nfs/dbraw/zinc/92/22/71/1354922271.db2.gz YLWUQCYMHDLGBM-NOKKCYSASA-N 2 0 338.883 2.466 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001664160943 1355104308 /nfs/dbraw/zinc/10/43/08/1355104308.db2.gz UOVYQAJNIMRTHP-UHFFFAOYSA-N 2 0 347.503 2.072 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C[C@H]1CCCOC1 ZINC001664514092 1355182834 /nfs/dbraw/zinc/18/28/34/1355182834.db2.gz XZXBVSFXDIVBEI-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1 ZINC001666779146 1355589935 /nfs/dbraw/zinc/58/99/35/1355589935.db2.gz YTFMRBMMQIZYKI-UHFFFAOYSA-N 2 0 339.524 2.304 10 0 EEAERP CCOCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001667400854 1355732838 /nfs/dbraw/zinc/73/28/38/1355732838.db2.gz ORABCUAAZMQECI-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001668086878 1355865865 /nfs/dbraw/zinc/86/58/65/1355865865.db2.gz KZJKVUCMMUCVGZ-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088211 1355867693 /nfs/dbraw/zinc/86/76/93/1355867693.db2.gz WAQAFAPEAATKOM-APWZRJJASA-N 2 0 344.503 2.473 10 0 EEAERP CCc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112958 1355874525 /nfs/dbraw/zinc/87/45/25/1355874525.db2.gz PSEVGBNVWWXUMA-CXAGYDPISA-N 2 0 336.480 2.014 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668516956 1355955955 /nfs/dbraw/zinc/95/59/55/1355955955.db2.gz INUOTYCKOSXVBL-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C\c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828024 1356014931 /nfs/dbraw/zinc/01/49/31/1356014931.db2.gz MZOZFZWVZQMPEB-WANQMDFOSA-N 2 0 339.483 2.304 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001668854673 1356024238 /nfs/dbraw/zinc/02/42/38/1356024238.db2.gz UYSUVNHHVBCKFD-OAJJDEHYSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001669139334 1356104337 /nfs/dbraw/zinc/10/43/37/1356104337.db2.gz NFNPBGHWUWSRCA-PKVWGGKHSA-N 2 0 344.503 2.272 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001669715025 1356198797 /nfs/dbraw/zinc/19/87/97/1356198797.db2.gz AOWFTGFOTUOBPI-WMZOPIPTSA-N 2 0 341.499 2.297 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC001670271436 1356309241 /nfs/dbraw/zinc/30/92/41/1356309241.db2.gz LJLGKXUZAHKHQI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001673131503 1356648303 /nfs/dbraw/zinc/64/83/03/1356648303.db2.gz LYLKXGCJKXOWEM-QZTJIDSGSA-N 2 0 347.478 2.291 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccnc(Cl)c1 ZINC001675031180 1356926781 /nfs/dbraw/zinc/92/67/81/1356926781.db2.gz ZSAADMWNCYKFAN-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CCF)CC1 ZINC001698948899 1405178867 /nfs/dbraw/zinc/17/88/67/1405178867.db2.gz XEUPKZPRSBTXSP-NVXWUHKLSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699367016 1405342461 /nfs/dbraw/zinc/34/24/61/1405342461.db2.gz FBPLEJLNHIVHKY-GFCCVEGCSA-N 2 0 334.291 2.276 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCc1cccc(F)c1)C1CC1 ZINC001699573862 1405400310 /nfs/dbraw/zinc/40/03/10/1405400310.db2.gz MHZPQIZMGXSDGR-RBUKOAKNSA-N 2 0 347.478 2.337 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001699839593 1405519875 /nfs/dbraw/zinc/51/98/75/1405519875.db2.gz VFZVEVZIASLRRX-UMVBOHGHSA-N 2 0 335.414 2.107 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cc(F)ncc2F)(N2CCCCC2)CC1 ZINC000823943890 787994547 /nfs/dbraw/zinc/99/45/47/787994547.db2.gz PZCHVQRECNDVHJ-UHFFFAOYSA-N 2 0 338.446 2.400 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915857 788473734 /nfs/dbraw/zinc/47/37/34/788473734.db2.gz KMPBABDFAZUKQU-RTBURBONSA-N 2 0 327.472 2.348 10 0 EEAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@]2(C)C1 ZINC000913276295 788753223 /nfs/dbraw/zinc/75/32/23/788753223.db2.gz HOCOZWJPPKXUME-NRSPTQNISA-N 2 0 341.499 2.309 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923315168 789355444 /nfs/dbraw/zinc/35/54/44/789355444.db2.gz QSMKCGQPIBBDIR-RTBURBONSA-N 2 0 330.472 2.089 10 0 EEAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447972 789561046 /nfs/dbraw/zinc/56/10/46/789561046.db2.gz YVBIIKYDDXEFOW-SOLBZPMBSA-N 2 0 345.487 2.082 10 0 EEAERP CCc1ccc(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923457814 789574669 /nfs/dbraw/zinc/57/46/69/789574669.db2.gz KENNQUCMYMXDEN-QGZVFWFLSA-N 2 0 331.460 2.017 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)CC[C@@H]1C[NH3+] ZINC000923499419 789682103 /nfs/dbraw/zinc/68/21/03/789682103.db2.gz KNCGGQMUMQENBU-NVXWUHKLSA-N 2 0 328.460 2.416 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000846205927 790075224 /nfs/dbraw/zinc/07/52/24/790075224.db2.gz KTZMUAARRTXTJQ-RBUKOAKNSA-N 2 0 338.455 2.042 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)CCC3(O)CCC3)C2)CC1 ZINC000929422221 792177583 /nfs/dbraw/zinc/17/75/83/792177583.db2.gz QVKZZVJCVACFKE-OALUTQOASA-N 2 0 338.536 2.486 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000913946044 794625660 /nfs/dbraw/zinc/62/56/60/794625660.db2.gz GADWXBOPXXGVGT-CRAIPNDOSA-N 2 0 332.492 2.420 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921686237 794834456 /nfs/dbraw/zinc/83/44/56/794834456.db2.gz PRRLEJRHLKJCRO-KRWDZBQOSA-N 2 0 347.551 2.441 10 0 EEAERP O[C@]1(CNCc2ccnn2C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000921772117 795864027 /nfs/dbraw/zinc/86/40/27/795864027.db2.gz LCANYWTZRYGKPE-FQEVSTJZSA-N 2 0 340.471 2.335 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1CC[NH2+]CCF ZINC001565943025 1125468843 /nfs/dbraw/zinc/46/88/43/1125468843.db2.gz KIYDQLHFPDWUTR-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ocnc1C ZINC001566576255 1125757608 /nfs/dbraw/zinc/75/76/08/1125757608.db2.gz IMPXMNMQMVQWJO-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001436418137 1087776170 /nfs/dbraw/zinc/77/61/70/1087776170.db2.gz WLFDVHQGIURXAY-IXDOHACOSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccn(CC)n1 ZINC001436666317 1088101409 /nfs/dbraw/zinc/10/14/09/1088101409.db2.gz LSUOSPLZBFZAFR-FUHWJXTLSA-N 2 0 349.523 2.104 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001436790965 1088352560 /nfs/dbraw/zinc/35/25/60/1088352560.db2.gz RUULOXYMJILBHF-RTBURBONSA-N 2 0 333.520 2.393 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001436846668 1088487112 /nfs/dbraw/zinc/48/71/12/1088487112.db2.gz UUZBDPAXCHRNBX-GOSISDBHSA-N 2 0 347.503 2.317 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001437035857 1088880012 /nfs/dbraw/zinc/88/00/12/1088880012.db2.gz ITEAVZNBLPFLGK-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]C/C(Cl)=C/Cl)CC1 ZINC001437087865 1089038512 /nfs/dbraw/zinc/03/85/12/1089038512.db2.gz HJSCAZBJIIQYFD-XFXZXTDPSA-N 2 0 334.291 2.418 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1sccc1Cl ZINC001437134012 1089123798 /nfs/dbraw/zinc/12/37/98/1089123798.db2.gz VRUDUTYNFPMQBS-IJLUTSLNSA-N 2 0 329.897 2.336 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001437308984 1089465577 /nfs/dbraw/zinc/46/55/77/1089465577.db2.gz ZZVIYMMYFFCECT-CABCVRRESA-N 2 0 345.422 2.067 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001437339078 1089533465 /nfs/dbraw/zinc/53/34/65/1089533465.db2.gz XCFACJZNXLPCOO-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC001437702579 1090249017 /nfs/dbraw/zinc/24/90/17/1090249017.db2.gz NZNPYYFHZSOJCW-LJQANCHMSA-N 2 0 347.478 2.435 10 0 EEAERP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437946234 1090542558 /nfs/dbraw/zinc/54/25/58/1090542558.db2.gz PWFXDACWGAIMDC-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001437973578 1090564001 /nfs/dbraw/zinc/56/40/01/1090564001.db2.gz CWTJMRGSVGVCFG-IAGOWNOFSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438134502 1090658270 /nfs/dbraw/zinc/65/82/70/1090658270.db2.gz ONHFZEBDUFUNHI-HNNXBMFYSA-N 2 0 329.488 2.236 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001438143849 1090664917 /nfs/dbraw/zinc/66/49/17/1090664917.db2.gz MONBVOULFWLSNI-OAHLLOKOSA-N 2 0 340.471 2.058 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1nccs1 ZINC001438326246 1090799394 /nfs/dbraw/zinc/79/93/94/1090799394.db2.gz LLIASHZDHCOUHH-GJZGRUSLSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1oncc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001438430520 1090929579 /nfs/dbraw/zinc/92/95/79/1090929579.db2.gz AWKNURIDKOEPLJ-KBXCAEBGSA-N 2 0 336.480 2.089 10 0 EEAERP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001438441498 1090943975 /nfs/dbraw/zinc/94/39/75/1090943975.db2.gz UUTOXZSYYWYKDO-QAQDUYKDSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001438652260 1091137823 /nfs/dbraw/zinc/13/78/23/1091137823.db2.gz NTANYZUIWMPSNE-XJKSGUPXSA-N 2 0 336.480 2.101 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cccnc2C)C1 ZINC001445431892 1091189126 /nfs/dbraw/zinc/18/91/26/1091189126.db2.gz YHEWFKHFTWYRQT-QAPCUYQASA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001438728480 1091265765 /nfs/dbraw/zinc/26/57/65/1091265765.db2.gz KTBPGCFGWRZUQO-OALUTQOASA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC001438771276 1091356270 /nfs/dbraw/zinc/35/62/70/1091356270.db2.gz OONJWYVATDEQKY-STQMWFEESA-N 2 0 336.307 2.472 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001438773095 1091360315 /nfs/dbraw/zinc/36/03/15/1091360315.db2.gz MXIRFPZQSYEYPV-HSWBZUAGSA-N 2 0 336.307 2.474 10 0 EEAERP COCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001438780303 1091377952 /nfs/dbraw/zinc/37/79/52/1091377952.db2.gz XBHXSQWHBHLYQF-QFBILLFUSA-N 2 0 347.503 2.111 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438832999 1091454942 /nfs/dbraw/zinc/45/49/42/1091454942.db2.gz FKNAGKRVVGKZID-FUHWJXTLSA-N 2 0 349.523 2.036 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001445772458 1091634710 /nfs/dbraw/zinc/63/47/10/1091634710.db2.gz SIIWMYDTSOSLDN-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP CCn1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)n1 ZINC001439137086 1091780481 /nfs/dbraw/zinc/78/04/81/1091780481.db2.gz YLCDYDFRGFJCAP-MRXNPFEDSA-N 2 0 349.523 2.009 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001439160214 1091804107 /nfs/dbraw/zinc/80/41/07/1091804107.db2.gz ZAISCRYDZRFVSO-HIFRSBDPSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439221339 1091865915 /nfs/dbraw/zinc/86/59/15/1091865915.db2.gz AMLKMIKEIKVPCR-ZFWWWQNUSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC001445946969 1091885238 /nfs/dbraw/zinc/88/52/38/1091885238.db2.gz DRTGLKTWGHVHSL-DLBZAZTESA-N 2 0 348.491 2.150 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cnoc2C)C2CC2)C1 ZINC001445964740 1091917499 /nfs/dbraw/zinc/91/74/99/1091917499.db2.gz GCOBGQRTMXFMNG-SJLPKXTDSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(Cl)s1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439412043 1092179594 /nfs/dbraw/zinc/17/95/94/1092179594.db2.gz SIPYODVJMPJOJW-NWDGAFQWSA-N 2 0 329.897 2.290 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1 ZINC001439464504 1092249059 /nfs/dbraw/zinc/24/90/59/1092249059.db2.gz WXKHQBQXVWMNPM-LZQZEXGQSA-N 2 0 329.488 2.320 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ccccn1 ZINC001439515890 1092361830 /nfs/dbraw/zinc/36/18/30/1092361830.db2.gz PMGULHKVWGJGLS-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP O=C(NCC1([NH2+]CC2CC(F)(F)C2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001446248774 1092369285 /nfs/dbraw/zinc/36/92/85/1092369285.db2.gz BZLMMTNIHBWOGL-LSDHHAIUSA-N 2 0 341.446 2.287 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH+](CCOC)C1 ZINC001446290339 1092447224 /nfs/dbraw/zinc/44/72/24/1092447224.db2.gz FQQJGLLMYWSOHB-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC001439606385 1092510251 /nfs/dbraw/zinc/51/02/51/1092510251.db2.gz ZLNMIVDIUDXTHS-KRWDZBQOSA-N 2 0 345.462 2.214 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001439697550 1092649413 /nfs/dbraw/zinc/64/94/13/1092649413.db2.gz AGPPQGXQFPQZEC-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001439782607 1092738828 /nfs/dbraw/zinc/73/88/28/1092738828.db2.gz NDNOUKCSXHPKML-RBUKOAKNSA-N 2 0 347.503 2.295 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001439904329 1092968048 /nfs/dbraw/zinc/96/80/48/1092968048.db2.gz YMPVYIOFWTUIKG-AEFFLSMTSA-N 2 0 327.488 2.295 10 0 EEAERP CC1CC(C[NH+]2CCC(C)(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001439926703 1093006538 /nfs/dbraw/zinc/00/65/38/1093006538.db2.gz UFAPXKCMJSBKDR-UHFFFAOYSA-N 2 0 333.520 2.347 10 0 EEAERP CCCc1ccc(C[N@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)cc1 ZINC001440146062 1093206909 /nfs/dbraw/zinc/20/69/09/1093206909.db2.gz BXFCVAFVUFCGBH-BGYRXZFFSA-N 2 0 343.515 2.481 10 0 EEAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001440152895 1093213309 /nfs/dbraw/zinc/21/33/09/1093213309.db2.gz UTWRRGGRJJVCSU-IXDOHACOSA-N 2 0 325.472 2.001 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCCC(C)(C)C)C1 ZINC001440179031 1093238136 /nfs/dbraw/zinc/23/81/36/1093238136.db2.gz GXRGGGINHHANSS-LJQANCHMSA-N 2 0 341.540 2.098 10 0 EEAERP Cc1nc(CN2C[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)co1 ZINC001448390668 1093385146 /nfs/dbraw/zinc/38/51/46/1093385146.db2.gz DMGVFGMFWCXIHW-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)CC1(C)C ZINC001448398368 1093401540 /nfs/dbraw/zinc/40/15/40/1093401540.db2.gz BGKQIRWXCXHACB-CQSZACIVSA-N 2 0 331.451 2.200 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2cccnc2)CC1(C)C ZINC001448421752 1093431111 /nfs/dbraw/zinc/43/11/11/1093431111.db2.gz WBKUUWSIDZNHNT-KRWDZBQOSA-N 2 0 332.492 2.140 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)C1)[NH+](C)C ZINC001440312674 1093443959 /nfs/dbraw/zinc/44/39/59/1093443959.db2.gz LUDDVWGHRJJMCQ-BPQIPLTHSA-N 2 0 349.523 2.097 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001440352455 1093505790 /nfs/dbraw/zinc/50/57/90/1093505790.db2.gz YIAKNRPUFIZKOM-HDJSIYSDSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC001440362898 1093527366 /nfs/dbraw/zinc/52/73/66/1093527366.db2.gz PGVBLSNPTKNBNS-YWTNHNAXSA-N 2 0 344.503 2.247 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1c(F)cccc1F ZINC001448510068 1093535916 /nfs/dbraw/zinc/53/59/16/1093535916.db2.gz LRAWKLNWDWEJDO-IHRRRGAJSA-N 2 0 339.430 2.462 10 0 EEAERP CCN1CCO[C@@H](C(=O)NCC[C@@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001448561656 1093608406 /nfs/dbraw/zinc/60/84/06/1093608406.db2.gz MFXPRACPPPWECC-RTBURBONSA-N 2 0 347.503 2.028 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001440433024 1093636919 /nfs/dbraw/zinc/63/69/19/1093636919.db2.gz WOIWESGSWRINGA-UHFFFAOYSA-N 2 0 344.503 2.238 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)s1 ZINC001448601011 1093664179 /nfs/dbraw/zinc/66/41/79/1093664179.db2.gz HNCKTYPDRLAOIN-INIZCTEOSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCCCCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001440464158 1093685690 /nfs/dbraw/zinc/68/56/90/1093685690.db2.gz GXYNSAPNXQCJLV-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001440500929 1093743277 /nfs/dbraw/zinc/74/32/77/1093743277.db2.gz MKWLUVNIOYKWCP-KURKYZTESA-N 2 0 339.524 2.255 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001440595382 1093860610 /nfs/dbraw/zinc/86/06/10/1093860610.db2.gz FYLGQBOCYFPIDH-QAPCUYQASA-N 2 0 335.467 2.412 10 0 EEAERP COc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)ccc1C ZINC001448966733 1093972460 /nfs/dbraw/zinc/97/24/60/1093972460.db2.gz BJXNNRNNSIKJON-AEFFLSMTSA-N 2 0 347.503 2.423 10 0 EEAERP COCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001440740482 1093989441 /nfs/dbraw/zinc/98/94/41/1093989441.db2.gz SHOWVALSKJBSLE-LJQANCHMSA-N 2 0 347.503 2.208 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCc1ccccc1)CC2 ZINC001449014658 1094015640 /nfs/dbraw/zinc/01/56/40/1094015640.db2.gz OPAGBRSYRLHJLB-AZUAARDMSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440824288 1094077973 /nfs/dbraw/zinc/07/79/73/1094077973.db2.gz BEPNFCBSIQWIKI-ZIAGYGMSSA-N 2 0 338.471 2.181 10 0 EEAERP Cc1ccc(C)c(OCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001441011267 1094287944 /nfs/dbraw/zinc/28/79/44/1094287944.db2.gz LOJSBXUTHKFTIL-ZWKOTPCHSA-N 2 0 347.503 2.070 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001449371421 1094340007 /nfs/dbraw/zinc/34/00/07/1094340007.db2.gz ZMFUYFBXCRZEIJ-MLVZXCIBSA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001441285433 1094710573 /nfs/dbraw/zinc/71/05/73/1094710573.db2.gz QIMWBRWJTRPGKC-FPCVCCKLSA-N 2 0 327.488 2.006 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](Cc3cccnc3)CC[C@H]21 ZINC001441482619 1095155704 /nfs/dbraw/zinc/15/57/04/1095155704.db2.gz TXFOMNSFXUEUSA-RBUKOAKNSA-N 2 0 344.503 2.236 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC001441662070 1095629116 /nfs/dbraw/zinc/62/91/16/1095629116.db2.gz VYXAWIRNEPCGBY-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001441837301 1095905555 /nfs/dbraw/zinc/90/55/55/1095905555.db2.gz NDNHOELBVPVKET-SWLSCSKDSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001441854198 1095946693 /nfs/dbraw/zinc/94/66/93/1095946693.db2.gz FBBVOWOOITXFBP-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001441857348 1095952760 /nfs/dbraw/zinc/95/27/60/1095952760.db2.gz HAIFXUJJGWCEFV-ZHALLVOQSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001441890114 1096027578 /nfs/dbraw/zinc/02/75/78/1096027578.db2.gz ZQNKNHALAKGDAB-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)cc1Cl ZINC001442058686 1096270487 /nfs/dbraw/zinc/27/04/87/1096270487.db2.gz ZBXIHJFZYBWPDO-CYBMUJFWSA-N 2 0 339.867 2.039 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001442182095 1096451002 /nfs/dbraw/zinc/45/10/02/1096451002.db2.gz DQWZAFNYNYGHOQ-LSDHHAIUSA-N 2 0 336.480 2.267 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001442258006 1096560973 /nfs/dbraw/zinc/56/09/73/1096560973.db2.gz NJFXJLVXMKAGMB-YOEHRIQHSA-N 2 0 335.517 2.117 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001442342696 1096666345 /nfs/dbraw/zinc/66/63/45/1096666345.db2.gz SKMXQUTZYFKSBO-OCCSQVGLSA-N 2 0 341.858 2.415 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001442803365 1097185384 /nfs/dbraw/zinc/18/53/84/1097185384.db2.gz VJFHBXHGZUCXTN-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001442813509 1097199047 /nfs/dbraw/zinc/19/90/47/1097199047.db2.gz TXQPUOFKLKYPME-OALUTQOASA-N 2 0 329.488 2.417 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001442826596 1097217224 /nfs/dbraw/zinc/21/72/24/1097217224.db2.gz NLYSNBTZQQEFDZ-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001442826601 1097217261 /nfs/dbraw/zinc/21/72/61/1097217261.db2.gz NLYSNBTZQQEFDZ-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001443653268 1098151143 /nfs/dbraw/zinc/15/11/43/1098151143.db2.gz NXWNLQURJAOCMZ-UHFFFAOYSA-N 2 0 331.451 2.200 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC=C(C)C ZINC001479616309 1098641232 /nfs/dbraw/zinc/64/12/32/1098641232.db2.gz CLSYGFGRPZIGAH-OKYOBFRVSA-N 2 0 333.520 2.463 10 0 EEAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001444134850 1098673268 /nfs/dbraw/zinc/67/32/68/1098673268.db2.gz FMPJAYOAXMRQOK-PXNSSMCTSA-N 2 0 344.503 2.025 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001479736708 1098847526 /nfs/dbraw/zinc/84/75/26/1098847526.db2.gz PQEJPORESZLHIR-CVEARBPZSA-N 2 0 338.471 2.414 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001444311318 1098869961 /nfs/dbraw/zinc/86/99/61/1098869961.db2.gz RSCSTHOMJKSFLI-SUMWQHHRSA-N 2 0 335.517 2.240 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]C[C@@H]1CCOC1 ZINC001444344365 1098909879 /nfs/dbraw/zinc/90/98/79/1098909879.db2.gz GDKAGPNGKPQCIO-CVEARBPZSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1ccc(F)cn1 ZINC001479777921 1098959850 /nfs/dbraw/zinc/95/98/50/1098959850.db2.gz HHZTVUPXTYKJJL-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001479805299 1099046347 /nfs/dbraw/zinc/04/63/47/1099046347.db2.gz BNXLMSMLKIVHKR-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828521 1099108467 /nfs/dbraw/zinc/10/84/67/1099108467.db2.gz BEHRBYGEYLZDKY-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC001479895552 1099274845 /nfs/dbraw/zinc/27/48/45/1099274845.db2.gz LWPNGLUOXHBKDZ-SJORKVTESA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)[NH+]1CCCC1 ZINC001479986962 1099447409 /nfs/dbraw/zinc/44/74/09/1099447409.db2.gz BESFRXFOIAHXPR-MSOLQXFVSA-N 2 0 333.520 2.488 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCOc1ccccc1)C1CC1 ZINC001480027976 1099514752 /nfs/dbraw/zinc/51/47/52/1099514752.db2.gz IRQYECHGFGPDFS-RTBURBONSA-N 2 0 345.487 2.034 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001444710292 1099571766 /nfs/dbraw/zinc/57/17/66/1099571766.db2.gz QPAPEYWOMJACKD-CYBMUJFWSA-N 2 0 327.419 2.243 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)cs1 ZINC001480060528 1099583913 /nfs/dbraw/zinc/58/39/13/1099583913.db2.gz RSCSLWOWSSHSDL-INIZCTEOSA-N 2 0 333.501 2.137 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444721067 1099591736 /nfs/dbraw/zinc/59/17/36/1099591736.db2.gz ZBEAILPSBRKVRC-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001480148928 1099717541 /nfs/dbraw/zinc/71/75/41/1099717541.db2.gz KDBADWIHRLUXRA-SHTZXODSSA-N 2 0 345.422 2.258 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C1)c1ccccc1F ZINC001480207970 1099812534 /nfs/dbraw/zinc/81/25/34/1099812534.db2.gz QASCIBXXOBILNW-YUELXQCFSA-N 2 0 330.407 2.479 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CC2)C1)[NH+](C)C ZINC001480211057 1099822048 /nfs/dbraw/zinc/82/20/48/1099822048.db2.gz NBXUZDYBMBTKMS-SOLBZPMBSA-N 2 0 345.487 2.305 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](Cc3ccsc3)C2)C1 ZINC001480267578 1099963019 /nfs/dbraw/zinc/96/30/19/1099963019.db2.gz NWRPODJTZFNCOP-HZPDHXFCSA-N 2 0 335.517 2.418 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1F ZINC001444904067 1099966460 /nfs/dbraw/zinc/96/64/60/1099966460.db2.gz BFJHJGHLLSHJIU-QAPCUYQASA-N 2 0 335.467 2.398 10 0 EEAERP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001480269150 1099969360 /nfs/dbraw/zinc/96/93/60/1099969360.db2.gz DEQOMVRMZHLXTQ-IBGZPJMESA-N 2 0 329.488 2.419 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001480286718 1099994758 /nfs/dbraw/zinc/99/47/58/1099994758.db2.gz UCBMUBZYXQABLH-OXUBUWLOSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC1CCCC1 ZINC001444924666 1100018557 /nfs/dbraw/zinc/01/85/57/1100018557.db2.gz RCZYSUMXCOIBCB-GOSISDBHSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001444941902 1100055883 /nfs/dbraw/zinc/05/58/83/1100055883.db2.gz YFPJRRPSYVCYOH-MOPGFXCFSA-N 2 0 331.504 2.301 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCOCC1CCC1 ZINC001480331108 1100086842 /nfs/dbraw/zinc/08/68/42/1100086842.db2.gz RAOFZABBLRXJJR-KRWDZBQOSA-N 2 0 348.491 2.048 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001480361073 1100133302 /nfs/dbraw/zinc/13/33/02/1100133302.db2.gz HTRVMRSMWWWWTP-IAGOWNOFSA-N 2 0 341.540 2.096 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001445024868 1100185960 /nfs/dbraw/zinc/18/59/60/1100185960.db2.gz DKZAZXPVYMXWSA-LSDHHAIUSA-N 2 0 331.451 2.296 10 0 EEAERP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2nc(C)oc2C)CC1)[NH+](C)C ZINC001480408455 1100223636 /nfs/dbraw/zinc/22/36/36/1100223636.db2.gz PEACRCWBODJPQW-DQPZFDDXSA-N 2 0 336.480 2.149 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001446474283 1100898738 /nfs/dbraw/zinc/89/87/38/1100898738.db2.gz BVULYZKUDAZIBC-UHFFFAOYSA-N 2 0 348.491 2.330 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC001496364625 1100957478 /nfs/dbraw/zinc/95/74/78/1100957478.db2.gz UAKQWAOVCZZSDP-YXGRLTDGSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC001496366971 1100959617 /nfs/dbraw/zinc/95/96/17/1100959617.db2.gz GKRGVFXVSAXDMY-AEFFLSMTSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496432813 1101024300 /nfs/dbraw/zinc/02/43/00/1101024300.db2.gz ZOPOEIWTTOKPHS-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001446553983 1101027374 /nfs/dbraw/zinc/02/73/74/1101027374.db2.gz CYPVSFAQJZKBNR-DOTOQJQBSA-N 2 0 343.462 2.488 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001496451871 1101045269 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339.524 2.160 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@H](C)COC)CC2)CC[N@@H+]1C ZINC001447081235 1101950257 /nfs/dbraw/zinc/95/02/57/1101950257.db2.gz VAHRXDKDIPXXHB-HSFUPAIVSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496096543 1102051501 /nfs/dbraw/zinc/05/15/01/1102051501.db2.gz BDJJSNAWUXDLDS-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496096541 1102051764 /nfs/dbraw/zinc/05/17/64/1102051764.db2.gz BDJJSNAWUXDLDS-PBHICJAKSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCC(C)CC2)c(C)n1 ZINC001496198711 1102206583 /nfs/dbraw/zinc/20/65/83/1102206583.db2.gz ZGNFBGNIUXYAEX-KRWDZBQOSA-N 2 0 346.519 2.367 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497484777 1102563169 /nfs/dbraw/zinc/56/31/69/1102563169.db2.gz WMYLAIJEIYJDNQ-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001447440205 1102659621 /nfs/dbraw/zinc/65/96/21/1102659621.db2.gz PCVNLZSHHYNVPO-AEFFLSMTSA-N 2 0 339.499 2.391 10 0 EEAERP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001447462520 1102692080 /nfs/dbraw/zinc/69/20/80/1102692080.db2.gz AARZWAIONORZBS-QUCCMNQESA-N 2 0 347.503 2.033 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCCC(F)(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC001497579318 1102693480 /nfs/dbraw/zinc/69/34/80/1102693480.db2.gz NDEUDYHZGFLKBM-BWPKMQGJSA-N 2 0 347.425 2.323 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001497585012 1102702166 /nfs/dbraw/zinc/70/21/66/1102702166.db2.gz FAURPLUPSVYYNY-RIOIIYTLSA-N 2 0 327.472 2.351 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001447496096 1102747970 /nfs/dbraw/zinc/74/79/70/1102747970.db2.gz ARCRWSBACNJDEL-KRWDZBQOSA-N 2 0 347.503 2.344 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497678325 1102888756 /nfs/dbraw/zinc/88/87/56/1102888756.db2.gz DWUCMRYUABSIQY-KQCIVJTHSA-N 2 0 343.515 2.394 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001497728418 1102976750 /nfs/dbraw/zinc/97/67/50/1102976750.db2.gz SAEUVLKRCTYGHD-LIMHQNJXSA-N 2 0 327.472 2.414 10 0 EEAERP C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(CC[NH+](C)C)c2)CCCO1 ZINC001447661551 1103067015 /nfs/dbraw/zinc/06/70/15/1103067015.db2.gz VFTRXUKOQQUAEL-QGZVFWFLSA-N 2 0 347.503 2.021 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001447748794 1103229237 /nfs/dbraw/zinc/22/92/37/1103229237.db2.gz FRMVRUOQQAZOFB-POZUXBRTSA-N 2 0 333.451 2.202 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]Cc2cscn2)C1)CC(C)(C)C ZINC001447811761 1103373806 /nfs/dbraw/zinc/37/38/06/1103373806.db2.gz ODTBZTCKSNTZNX-UHFFFAOYSA-N 2 0 338.521 2.105 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCCCCF)C1 ZINC001494032127 1103393671 /nfs/dbraw/zinc/39/36/71/1103393671.db2.gz UKRNAENVYHIBBV-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001494033260 1103397213 /nfs/dbraw/zinc/39/72/13/1103397213.db2.gz WWUWVTQUNHGNFI-PKOBYXMFSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497963541 1103424726 /nfs/dbraw/zinc/42/47/26/1103424726.db2.gz YAHKQXNGKWJLPN-QZTJIDSGSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC[C@H]2CCCCO2)C1 ZINC001494178049 1103650441 /nfs/dbraw/zinc/65/04/41/1103650441.db2.gz FPORBHWUVQAEPQ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ncccc2C)C1 ZINC001448075477 1103946801 /nfs/dbraw/zinc/94/68/01/1103946801.db2.gz AZLIVGIOJCOONG-ZWKOTPCHSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001448221229 1104204907 /nfs/dbraw/zinc/20/49/07/1104204907.db2.gz KVOFGABOGGNEAB-QGZVFWFLSA-N 2 0 330.476 2.085 10 0 EEAERP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001448282285 1104315269 /nfs/dbraw/zinc/31/52/69/1104315269.db2.gz QXWFVTKLMUGDTN-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(C[NH+]2CC([C@H](C)NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001448342598 1104431428 /nfs/dbraw/zinc/43/14/28/1104431428.db2.gz OCDXMRIFDAEWAZ-LSDHHAIUSA-N 2 0 335.517 2.335 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccns1 ZINC001495069250 1104709735 /nfs/dbraw/zinc/70/97/35/1104709735.db2.gz SVNPRVXQCZJDFJ-HOCLYGCPSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001498043310 1106825255 /nfs/dbraw/zinc/82/52/55/1106825255.db2.gz INNYXHZTMSJJEJ-QFBILLFUSA-N 2 0 329.488 2.240 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001480711157 1106934218 /nfs/dbraw/zinc/93/42/18/1106934218.db2.gz VHQGXBIUFWGBLF-CVEARBPZSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001480716567 1106950542 /nfs/dbraw/zinc/95/05/42/1106950542.db2.gz KTQUPNYVRXWBPF-QAPCUYQASA-N 2 0 335.467 2.135 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)cc1F ZINC001480765342 1107068512 /nfs/dbraw/zinc/06/85/12/1107068512.db2.gz GUYGXWZONMSRAC-XJKCOSOUSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(Cl)s1 ZINC001480773281 1107090688 /nfs/dbraw/zinc/09/06/88/1107090688.db2.gz XWRPIJYOVRDMGW-NEPJUHHUSA-N 2 0 344.912 2.265 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nccs2)C1 ZINC001480786855 1107117321 /nfs/dbraw/zinc/11/73/21/1107117321.db2.gz WJCSEVJHBGAWNC-HUUCEWRRSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001480789012 1107120870 /nfs/dbraw/zinc/12/08/70/1107120870.db2.gz AAXFGBXYVVEWTJ-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001480793100 1107126373 /nfs/dbraw/zinc/12/63/73/1107126373.db2.gz YRQQSVLAMSMTQM-RDTXWAMCSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480808541 1107155510 /nfs/dbraw/zinc/15/55/10/1107155510.db2.gz MASHUDZJNJPTGO-CQSZACIVSA-N 2 0 336.480 2.187 10 0 EEAERP C[C@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498314398 1107273430 /nfs/dbraw/zinc/27/34/30/1107273430.db2.gz RXXNFPSXBBHUIO-ZIAGYGMSSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1ncccc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498324080 1107294225 /nfs/dbraw/zinc/29/42/25/1107294225.db2.gz APJKQVYKDOEQNI-QFBILLFUSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CN(C)Cc1cncs1)[NH+]1CCCC1 ZINC001498457719 1107568294 /nfs/dbraw/zinc/56/82/94/1107568294.db2.gz SQLHWWKAZYIVCK-GOEBONIOSA-N 2 0 338.521 2.200 10 0 EEAERP O=C(NCC[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001493436363 1108154624 /nfs/dbraw/zinc/15/46/24/1108154624.db2.gz UHNLOILTBNEOJB-CQSZACIVSA-N 2 0 341.446 2.098 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC001498991569 1108426750 /nfs/dbraw/zinc/42/67/50/1108426750.db2.gz PVHXFDFVHZFDDV-HIFRSBDPSA-N 2 0 329.435 2.097 10 0 EEAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493725358 1108571533 /nfs/dbraw/zinc/57/15/33/1108571533.db2.gz KNADKPKKUQXYRS-QWHCGFSZSA-N 2 0 334.291 2.370 10 0 EEAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)COC1CC[NH+](C)CC1 ZINC001493752505 1108626088 /nfs/dbraw/zinc/62/60/88/1108626088.db2.gz SONKGHHIRQIITR-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001473380358 1110574786 /nfs/dbraw/zinc/57/47/86/1110574786.db2.gz QQFREVNQIFRRJG-JENIJYKNSA-N 2 0 340.508 2.277 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001479322277 1110681376 /nfs/dbraw/zinc/68/13/76/1110681376.db2.gz RHMRGISKBNMCQL-SGFMAGIBSA-N 2 0 345.890 2.436 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC001499955304 1112554646 /nfs/dbraw/zinc/55/46/46/1112554646.db2.gz PNNYOUYOSXUQNF-HNNXBMFYSA-N 2 0 339.430 2.386 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001500112358 1112623205 /nfs/dbraw/zinc/62/32/05/1112623205.db2.gz VGGGPIQEGOBGHK-APWZRJJASA-N 2 0 344.503 2.188 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CCCC2)on1 ZINC001500132065 1112631762 /nfs/dbraw/zinc/63/17/62/1112631762.db2.gz ZNKBIRSPZZIMTK-KRWDZBQOSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091744 1113196175 /nfs/dbraw/zinc/19/61/75/1113196175.db2.gz QAYLVPNVWZSSJN-HIFRSBDPSA-N 2 0 338.521 2.118 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](C[C@H](F)CC)C[C@H]21 ZINC001501427566 1113355246 /nfs/dbraw/zinc/35/52/46/1113355246.db2.gz SIXOUTHUHHZPTF-GVDBMIGSSA-N 2 0 327.488 2.389 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001501610566 1113398824 /nfs/dbraw/zinc/39/88/24/1113398824.db2.gz BJPAVJUKINOBNZ-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2cncs2)CC1)C1CCC1 ZINC001502125410 1113602818 /nfs/dbraw/zinc/60/28/18/1113602818.db2.gz BXIRKLLTLVXPTI-CQSZACIVSA-N 2 0 336.505 2.098 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001505432823 1113966060 /nfs/dbraw/zinc/96/60/60/1113966060.db2.gz TWRXJCSYRPYYLO-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001505434167 1113967570 /nfs/dbraw/zinc/96/75/70/1113967570.db2.gz MAKSYLYFULCXSE-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505436780 1113970524 /nfs/dbraw/zinc/97/05/24/1113970524.db2.gz DXHDXZVRMAWWCE-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001505679225 1114126825 /nfs/dbraw/zinc/12/68/25/1114126825.db2.gz TUNXZOHFPUQLNV-QWHCGFSZSA-N 2 0 326.872 2.060 10 0 EEAERP COCCCC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001505780403 1114188153 /nfs/dbraw/zinc/18/81/53/1114188153.db2.gz GGCWSQUMPYZRMD-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[NH2+]C2CCC(N(C)C(=O)C3(C[NH+](C)C)CC3)CC2)o1 ZINC001505784913 1114190594 /nfs/dbraw/zinc/19/05/94/1114190594.db2.gz SEEAVVDRPZPNOZ-UHFFFAOYSA-N 2 0 348.491 2.184 10 0 EEAERP COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)c1C ZINC001505945363 1114293821 /nfs/dbraw/zinc/29/38/21/1114293821.db2.gz CFQVGBNBDBWKCQ-CRAIPNDOSA-N 2 0 347.503 2.424 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001507014163 1115054545 /nfs/dbraw/zinc/05/45/45/1115054545.db2.gz WJDMCMUXSQZSPF-ZZQZRYSSSA-N 2 0 327.900 2.438 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c1 ZINC001507292412 1115177350 /nfs/dbraw/zinc/17/73/50/1115177350.db2.gz JBMYBSULEIDDEB-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001507293344 1115177464 /nfs/dbraw/zinc/17/74/64/1115177464.db2.gz MJBRWNFREFKXAE-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568060384 1124265264 /nfs/dbraw/zinc/26/52/64/1124265264.db2.gz LKMSRKIYISKPEU-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001568065519 1124271101 /nfs/dbraw/zinc/27/11/01/1124271101.db2.gz AXLWNBVCIGPKTD-CQSZACIVSA-N 2 0 337.430 2.499 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001568091678 1124295160 /nfs/dbraw/zinc/29/51/60/1124295160.db2.gz HWWXACKGMZZGJW-QGZVFWFLSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC(CC[NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001568092099 1124296295 /nfs/dbraw/zinc/29/62/95/1124296295.db2.gz IAXRDSQNYVTVAK-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(NCc1ccc(C[NH2+]C/C=C\Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001568118459 1124312417 /nfs/dbraw/zinc/31/24/17/1124312417.db2.gz TZURLUJRQHXVED-PEMRVSMSSA-N 2 0 347.890 2.487 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001568193356 1124348258 /nfs/dbraw/zinc/34/82/58/1124348258.db2.gz BBZGWWWVMOAMRC-ROUUACIJSA-N 2 0 331.504 2.221 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCC1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568326132 1124421325 /nfs/dbraw/zinc/42/13/25/1124421325.db2.gz WJXFNGXHGDTDGS-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568533455 1124596212 /nfs/dbraw/zinc/59/62/12/1124596212.db2.gz ROWDBMXLPNMEKB-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671517 1124685493 /nfs/dbraw/zinc/68/54/93/1124685493.db2.gz SSJNZKAOVYTKOF-KGLIPLIRSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001568703237 1124719339 /nfs/dbraw/zinc/71/93/39/1124719339.db2.gz JZWBBSPUIXXUFN-PXNSSMCTSA-N 2 0 329.488 2.465 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001568851403 1124872690 /nfs/dbraw/zinc/87/26/90/1124872690.db2.gz CYJBOBVUPVZVCL-IBMJZYDUSA-N 2 0 329.488 2.406 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1F ZINC001568859382 1124883308 /nfs/dbraw/zinc/88/33/08/1124883308.db2.gz ZTBKRWJUCSNFME-QWNKOJSDSA-N 2 0 333.451 2.462 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001568872968 1124899514 /nfs/dbraw/zinc/89/95/14/1124899514.db2.gz CTKLHDPVQQPBMU-ZMBJWTFHSA-N 2 0 329.488 2.495 10 0 EEAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568884083 1124910775 /nfs/dbraw/zinc/91/07/75/1124910775.db2.gz DTRCSNQXPRLEBI-ONEGZZNKSA-N 2 0 325.416 2.109 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001568951527 1124986284 /nfs/dbraw/zinc/98/62/84/1124986284.db2.gz PDSULUXGVVENMH-ONEGZZNKSA-N 2 0 327.472 2.161 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568969670 1125008162 /nfs/dbraw/zinc/00/81/62/1125008162.db2.gz NZMYREVAUKEYIV-YOVCOIKASA-N 2 0 348.491 2.180 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC001568993749 1125027083 /nfs/dbraw/zinc/02/70/83/1125027083.db2.gz QFHYRWXIPOTZOX-VHDGCEQUSA-N 2 0 338.883 2.060 10 0 EEAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001569118927 1125111038 /nfs/dbraw/zinc/11/10/38/1125111038.db2.gz XKAWMHCSOYSLGF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cn1 ZINC001569202080 1125161203 /nfs/dbraw/zinc/16/12/03/1125161203.db2.gz UIYBZGXOMMAGCC-SJLPKXTDSA-N 2 0 347.507 2.157 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001569239957 1125187348 /nfs/dbraw/zinc/18/73/48/1125187348.db2.gz OLSIYVNIQBQMCM-HNNXBMFYSA-N 2 0 336.480 2.078 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569270564 1125209574 /nfs/dbraw/zinc/20/95/74/1125209574.db2.gz ZPFWVGWKFPYWGU-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423196141 282988557 /nfs/dbraw/zinc/98/85/57/282988557.db2.gz ZAPUOMKQBJDEBR-WZGPROSRSA-N 2 0 333.451 2.151 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000340143363 283126891 /nfs/dbraw/zinc/12/68/91/283126891.db2.gz CRMFXWCLKZBHSF-YDZRNGNQSA-N 2 0 342.487 2.358 10 0 EEAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074651 240354305 /nfs/dbraw/zinc/35/43/05/240354305.db2.gz MLWLYZUXKZBVQK-FUHWJXTLSA-N 2 0 340.471 2.436 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422866231 240264950 /nfs/dbraw/zinc/26/49/50/240264950.db2.gz QECHOXUPJNUVQU-RNIPGJKVSA-N 2 0 348.487 2.252 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cn2)C[C@@H](C)O1 ZINC000422886007 240274525 /nfs/dbraw/zinc/27/45/25/240274525.db2.gz VNZVFRJRNYNVTK-RSIVFMTNSA-N 2 0 332.492 2.302 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422895115 240281278 /nfs/dbraw/zinc/28/12/78/240281278.db2.gz DYWCOAIUJHJCHJ-SFTDATJTSA-N 2 0 343.515 2.316 10 0 EEAERP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000425370355 241141483 /nfs/dbraw/zinc/14/14/83/241141483.db2.gz NYONCKPEFAJHIQ-ZWKOTPCHSA-N 2 0 347.528 2.368 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448252766 242384908 /nfs/dbraw/zinc/38/49/08/242384908.db2.gz RPXSRKLUJMULFF-ULQDDVLXSA-N 2 0 338.540 2.479 10 0 EEAERP COc1cc2c(c(C[NH2+]CC3CC[NH+](C[C@@H](C)O)CC3)c1)O[C@@H](C)C2 ZINC000069434564 202999678 /nfs/dbraw/zinc/99/96/78/202999678.db2.gz AASZFGBJBJVHAH-CABCVRRESA-N 2 0 348.487 2.201 10 0 EEAERP C[NH+](C)Cc1ccc2c(c1)[C@H](C[NH3+])N(Cc1ccc3c(c1)OCO3)C2 ZINC000071683872 203103696 /nfs/dbraw/zinc/10/36/96/203103696.db2.gz KQYPJRJKCVOQFQ-SFHVURJKSA-N 2 0 339.439 2.493 10 0 EEAERP Cc1ccc([C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000071871593 203133498 /nfs/dbraw/zinc/13/34/98/203133498.db2.gz TWNPZRUJXIKJFW-XLIONFOSSA-N 2 0 334.504 2.361 10 0 EEAERP C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000459636348 245193397 /nfs/dbraw/zinc/19/33/97/245193397.db2.gz HCMKUIUIJSPLEF-INIZCTEOSA-N 2 0 344.503 2.125 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccs1 ZINC000105064473 204131562 /nfs/dbraw/zinc/13/15/62/204131562.db2.gz IALCVSPMQLIQFS-HUUCEWRRSA-N 2 0 336.505 2.231 10 0 EEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC[N@H+](C)CC1 ZINC000043091034 204211654 /nfs/dbraw/zinc/21/16/54/204211654.db2.gz KLFLRIAZVOBJKM-DOMZBBRYSA-N 2 0 326.282 2.475 10 0 EEAERP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105861961 204172605 /nfs/dbraw/zinc/17/26/05/204172605.db2.gz SWCOFXXNXAVTOV-IAGOWNOFSA-N 2 0 347.503 2.347 10 0 EEAERP O[C@@H](C[NH+]1CCC(C[NH2+]CC2=CCCOC2)CC1)c1ccccc1 ZINC000127115960 205086013 /nfs/dbraw/zinc/08/60/13/205086013.db2.gz KLLBSULNUVZZPI-FQEVSTJZSA-N 2 0 330.472 2.368 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CN(C)C[C@@H]2CCC[NH2+]C2)[C@@H]1c1cnn(C)c1 ZINC000262002258 285228696 /nfs/dbraw/zinc/22/86/96/285228696.db2.gz UFAGICKYZMGMSX-ZIFCJYIRSA-N 2 0 333.524 2.125 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(F)(F)F ZINC000457519409 285245849 /nfs/dbraw/zinc/24/58/49/285245849.db2.gz FCQPQGCZNSOIQA-UONOGXRCSA-N 2 0 337.430 2.449 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000273254256 256280839 /nfs/dbraw/zinc/28/08/39/256280839.db2.gz WPRYNXZVUPLXOL-INIZCTEOSA-N 2 0 329.488 2.281 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000353288114 285323330 /nfs/dbraw/zinc/32/33/30/285323330.db2.gz GFACRDQPAHICSS-YSTOQKLRSA-N 2 0 337.552 2.445 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000124317012 292288781 /nfs/dbraw/zinc/28/87/81/292288781.db2.gz YORPGJZCNOJGQP-HTWSVDAQSA-N 2 0 339.524 2.016 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245938727 160258166 /nfs/dbraw/zinc/25/81/66/160258166.db2.gz ULLDJNUIIRAQLM-RCCFBDPRSA-N 2 0 344.503 2.127 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000247320108 160319870 /nfs/dbraw/zinc/31/98/70/160319870.db2.gz OORVJDRIRNIRFW-RBSFLKMASA-N 2 0 336.505 2.229 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248133499 160338913 /nfs/dbraw/zinc/33/89/13/160338913.db2.gz OSTPFKIXQCZDSU-GUDVDZBRSA-N 2 0 329.488 2.102 10 0 EEAERP COc1ccc(C2([NH2+]CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000341686319 161005203 /nfs/dbraw/zinc/00/52/03/161005203.db2.gz UQCLONSRRYYVBY-UHFFFAOYSA-N 2 0 343.471 2.017 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]C2CCN(CCCC(=O)OC)CC2)CC1 ZINC000342790124 161090986 /nfs/dbraw/zinc/09/09/86/161090986.db2.gz YTJGTPJNKUHXCG-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CN(C(=O)C[NH+](C)[C@H]1CCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343844113 161173561 /nfs/dbraw/zinc/17/35/61/161173561.db2.gz FCDYUZIUPIFYHM-ROUUACIJSA-N 2 0 347.528 2.157 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C1 ZINC000376019709 167246344 /nfs/dbraw/zinc/24/63/44/167246344.db2.gz RHHBBINESJTZBQ-FCCDEINASA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@H]2CCC[C@@H]21 ZINC000376729196 167382604 /nfs/dbraw/zinc/38/26/04/167382604.db2.gz NFQVLZZFMDWSKM-ILXRZTDVSA-N 2 0 341.297 2.498 10 0 EEAERP COC1(C[C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CCC1 ZINC000277268193 269146000 /nfs/dbraw/zinc/14/60/00/269146000.db2.gz RKAQJZAUJJFNIJ-MRXNPFEDSA-N 2 0 332.492 2.271 10 0 EEAERP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000278447537 274355726 /nfs/dbraw/zinc/35/57/26/274355726.db2.gz LCONADGQFFGTRQ-IHJVYAAUSA-N 2 0 332.488 2.417 10 0 EEAERP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000289551104 275126729 /nfs/dbraw/zinc/12/67/29/275126729.db2.gz DJLAIFRSABOSJZ-UHFFFAOYSA-N 2 0 342.487 2.209 10 0 EEAERP COCCN1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)C1 ZINC000293054805 293112723 /nfs/dbraw/zinc/11/27/23/293112723.db2.gz UGZOFETUYCGNII-AWEZNQCLSA-N 2 0 342.867 2.210 10 0 EEAERP CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297461733 294250457 /nfs/dbraw/zinc/25/04/57/294250457.db2.gz ICVXRLIJTDYDSU-UHFFFAOYSA-N 2 0 338.411 2.091 10 0 EEAERP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298483797 294509020 /nfs/dbraw/zinc/50/90/20/294509020.db2.gz ADCUSFCPUNCNBW-AWEZNQCLSA-N 2 0 345.443 2.145 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)Cc1ccccc1 ZINC000417010014 313392966 /nfs/dbraw/zinc/39/29/66/313392966.db2.gz OHZAOCILXYVIFW-JQHSSLGASA-N 2 0 332.492 2.071 10 0 EEAERP [NH3+][C@@H](CNC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000417014166 313394580 /nfs/dbraw/zinc/39/45/80/313394580.db2.gz ZUEAWRJLLPRZDY-IBGZPJMESA-N 2 0 338.455 2.044 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000417201000 313447073 /nfs/dbraw/zinc/44/70/73/313447073.db2.gz VJFROCTYFXUXIL-QGZVFWFLSA-N 2 0 332.492 2.120 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000417933788 313656113 /nfs/dbraw/zinc/65/61/13/313656113.db2.gz OWOZFVDFYCUCLX-NXYGQSRBSA-N 2 0 336.524 2.138 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418183586 313739029 /nfs/dbraw/zinc/73/90/29/313739029.db2.gz OLLZXDTXJZYOSD-ONIAQPFYSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418579299 313851614 /nfs/dbraw/zinc/85/16/14/313851614.db2.gz RGDZTIIXFMPJFM-SJLPKXTDSA-N 2 0 332.492 2.066 10 0 EEAERP O=C1COc2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2N1 ZINC000507214894 316375450 /nfs/dbraw/zinc/37/54/50/316375450.db2.gz QZWSMGZUVQORCO-UHFFFAOYSA-N 2 0 329.444 2.325 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000530243063 317703708 /nfs/dbraw/zinc/70/37/08/317703708.db2.gz VINUXGWFCSNQGH-GOSISDBHSA-N 2 0 331.460 2.106 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@]12CCCO2 ZINC000546056105 318243292 /nfs/dbraw/zinc/24/32/92/318243292.db2.gz LQGDJPCUTBZETL-QRVBRYPASA-N 2 0 342.443 2.392 10 0 EEAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000556797600 318648153 /nfs/dbraw/zinc/64/81/53/318648153.db2.gz POPHXCZFXYCCBI-IBGZPJMESA-N 2 0 347.503 2.105 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000561128779 318825285 /nfs/dbraw/zinc/82/52/85/318825285.db2.gz ODJWKCGXJZRCHG-NVXWUHKLSA-N 2 0 336.505 2.136 10 0 EEAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000565891070 319224224 /nfs/dbraw/zinc/22/42/24/319224224.db2.gz INQRVJWPRXITCD-VXIBKDFQSA-N 2 0 333.451 2.377 10 0 EEAERP COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000566122119 319248178 /nfs/dbraw/zinc/24/81/78/319248178.db2.gz XYIMRWJHCQMUSU-SFHVURJKSA-N 2 0 341.411 2.010 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000576135260 320144892 /nfs/dbraw/zinc/14/48/92/320144892.db2.gz ZRAYHRNJQMYONT-PKOBYXMFSA-N 2 0 330.476 2.252 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000185893928 323439885 /nfs/dbraw/zinc/43/98/85/323439885.db2.gz BOXMCEGUQPJTAO-INIZCTEOSA-N 2 0 336.480 2.318 10 0 EEAERP C[NH+](C)CC(C)(C)CNc1cncc(NCC(C)(C)C[NH+](C)C)n1 ZINC000341284399 465091748 /nfs/dbraw/zinc/09/17/48/465091748.db2.gz JJDIJLLYJPSNLQ-UHFFFAOYSA-N 2 0 336.528 2.476 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)CC1 ZINC000358631064 465232658 /nfs/dbraw/zinc/23/26/58/465232658.db2.gz CBXTVIZGHBSJOQ-UHFFFAOYSA-N 2 0 334.508 2.298 10 0 EEAERP CN(C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000341882314 465271447 /nfs/dbraw/zinc/27/14/47/465271447.db2.gz KSHISUFCAFHUKY-RTWAWAEBSA-N 2 0 343.515 2.446 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000157268315 463115001 /nfs/dbraw/zinc/11/50/01/463115001.db2.gz XNUVIIOLFVNNPX-RBUKOAKNSA-N 2 0 346.519 2.141 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000139716413 463330203 /nfs/dbraw/zinc/33/02/03/463330203.db2.gz NMLSMOAHQVICMY-SFHVURJKSA-N 2 0 348.466 2.184 10 0 EEAERP C[C@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[N@@H+]1C1CC1 ZINC000125893298 463588658 /nfs/dbraw/zinc/58/86/58/463588658.db2.gz AGHIOPBFGCIOFR-BBRMVZONSA-N 2 0 348.466 2.312 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[N@@H+]1C1CC1 ZINC000125893536 463589222 /nfs/dbraw/zinc/58/92/22/463589222.db2.gz AGHIOPBFGCIOFR-CZUORRHYSA-N 2 0 348.466 2.312 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000269008458 463843853 /nfs/dbraw/zinc/84/38/53/463843853.db2.gz NAQUUZAHMMRKKB-AWEZNQCLSA-N 2 0 327.494 2.441 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261775727 463856851 /nfs/dbraw/zinc/85/68/51/463856851.db2.gz XJQZJKFSCYWLQQ-FRQCXROJSA-N 2 0 331.460 2.219 10 0 EEAERP CN1CCO[C@@H](CSCc2cccc(CN3CCOCC3)c2)C1 ZINC000579591175 468380970 /nfs/dbraw/zinc/38/09/70/468380970.db2.gz WNSODFAANSKJKY-GOSISDBHSA-N 2 0 336.501 2.083 10 0 EEAERP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261912233 463897981 /nfs/dbraw/zinc/89/79/81/463897981.db2.gz XSKQJZMSZPARSU-OXJNMPFZSA-N 2 0 329.488 2.484 10 0 EEAERP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1OC ZINC000261990085 463918913 /nfs/dbraw/zinc/91/89/13/463918913.db2.gz SNBGKKVNZWQQPF-ZACQAIPSSA-N 2 0 334.460 2.341 10 0 EEAERP CC1(C)CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000262168279 463962467 /nfs/dbraw/zinc/96/24/67/463962467.db2.gz YJAUNUCHFIRFJZ-GOSISDBHSA-N 2 0 329.488 2.484 10 0 EEAERP CC[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC000172275777 464036404 /nfs/dbraw/zinc/03/64/04/464036404.db2.gz VWWJDSYBYJZSFX-SFHVURJKSA-N 2 0 348.491 2.323 10 0 EEAERP CN(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000173353527 464246080 /nfs/dbraw/zinc/24/60/80/464246080.db2.gz HCLTXQDMBYIVOZ-UYTSQGDYSA-N 2 0 334.464 2.197 10 0 EEAERP C[C@@H]1C[NH+](CC2CCN(C(=O)CCCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000237500458 464330697 /nfs/dbraw/zinc/33/06/97/464330697.db2.gz VNITWLYNNGQVPI-IAGOWNOFSA-N 2 0 339.524 2.243 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768487 464335273 /nfs/dbraw/zinc/33/52/73/464335273.db2.gz KDNIRNQHHNINGO-IEBWSBKVSA-N 2 0 325.460 2.243 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(F)cc1 ZINC000174158998 464369855 /nfs/dbraw/zinc/36/98/55/464369855.db2.gz DDSABZJFUYARMF-ROUUACIJSA-N 2 0 346.450 2.084 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000174271156 464387168 /nfs/dbraw/zinc/38/71/68/464387168.db2.gz HUNMTXJBMWNEQA-SJORKVTESA-N 2 0 334.508 2.153 10 0 EEAERP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)CC(F)(F)F ZINC000189878300 464559265 /nfs/dbraw/zinc/55/92/65/464559265.db2.gz DFEBLVFTRLGVAM-OAHLLOKOSA-N 2 0 338.414 2.124 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C ZINC000246483394 464589118 /nfs/dbraw/zinc/58/91/18/464589118.db2.gz VWKKAEIOQPGAOF-HZPDHXFCSA-N 2 0 326.529 2.479 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247480992 464683998 /nfs/dbraw/zinc/68/39/98/464683998.db2.gz JLSRUHABOZMMJG-JKSUJKDBSA-N 2 0 348.516 2.375 10 0 EEAERP CCC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231238 464890557 /nfs/dbraw/zinc/89/05/57/464890557.db2.gz RVBSRXJDOGOTKZ-RBUKOAKNSA-N 2 0 347.503 2.124 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000339739626 465479248 /nfs/dbraw/zinc/47/92/48/465479248.db2.gz DAIMNUPFAAPJQR-IBGZPJMESA-N 2 0 346.519 2.190 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000348866690 465848312 /nfs/dbraw/zinc/84/83/12/465848312.db2.gz ZBWVISZXYNEHMZ-CRAIPNDOSA-N 2 0 327.472 2.176 10 0 EEAERP C[NH+](C)CCOC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346215290 466000100 /nfs/dbraw/zinc/00/01/00/466000100.db2.gz JODAKAVSEPUXRB-UHFFFAOYSA-N 2 0 334.489 2.476 10 0 EEAERP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccco1 ZINC000357549254 466125410 /nfs/dbraw/zinc/12/54/10/466125410.db2.gz UNGWIMWVJAPISL-GDBMZVCRSA-N 2 0 334.464 2.198 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349669717 466184555 /nfs/dbraw/zinc/18/45/55/466184555.db2.gz QRTALVXJGWUDCR-JFIYKMOQSA-N 2 0 336.524 2.233 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000354503715 466615531 /nfs/dbraw/zinc/61/55/31/466615531.db2.gz HCPLHGFVYDAQDC-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000422914002 466687091 /nfs/dbraw/zinc/68/70/91/466687091.db2.gz ZPSIRBXPZSXZEE-BEFAXECRSA-N 2 0 340.471 2.199 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C3)cc1 ZINC000423192970 466694733 /nfs/dbraw/zinc/69/47/33/466694733.db2.gz WCPZPMGEKVORJT-WKCHPHFGSA-N 3 0 342.531 2.067 10 0 EEAERP C[C@H](NC[C@H]([NH3+])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423251114 466703431 /nfs/dbraw/zinc/70/34/31/466703431.db2.gz WBLNXTSGVKKQME-KSSFIOAISA-N 2 0 347.484 2.288 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000423494966 466758332 /nfs/dbraw/zinc/75/83/32/466758332.db2.gz SYTNVQHBKKXZNN-YLJYHZDGSA-N 2 0 331.504 2.050 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC=CCC2)[C@H]1c1ccc(F)cc1 ZINC000373382237 466785822 /nfs/dbraw/zinc/78/58/22/466785822.db2.gz FYVSOJUQDUBDCV-QZTJIDSGSA-N 2 0 346.450 2.132 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000417372939 466844387 /nfs/dbraw/zinc/84/43/87/466844387.db2.gz ACDIBOAMMVNYIL-GOSISDBHSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417528775 466876695 /nfs/dbraw/zinc/87/66/95/466876695.db2.gz FPBQEHMDNHFWNB-ROUUACIJSA-N 2 0 346.519 2.462 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000417944009 466997107 /nfs/dbraw/zinc/99/71/07/466997107.db2.gz VNYXKPRRXVDLRZ-VMWRSERWSA-N 2 0 336.524 2.280 10 0 EEAERP C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417961651 467004104 /nfs/dbraw/zinc/00/41/04/467004104.db2.gz YUTOAXCAEYSFKE-IUODEOHRSA-N 2 0 342.846 2.120 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)NCC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417982034 467008730 /nfs/dbraw/zinc/00/87/30/467008730.db2.gz DISNXQYCOLGXMF-IAGOWNOFSA-N 2 0 346.475 2.010 10 0 EEAERP C[C@@H](CCNC(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCCCC1 ZINC000418018916 467024071 /nfs/dbraw/zinc/02/40/71/467024071.db2.gz JPIPHVJEXZHUJC-SFHVURJKSA-N 2 0 346.519 2.464 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424337278 467031417 /nfs/dbraw/zinc/03/14/17/467031417.db2.gz ZZQDGKMEQSFCNO-WDSOQIARSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366097009 467057320 /nfs/dbraw/zinc/05/73/20/467057320.db2.gz XPHFGOVLYBRWBS-CYBMUJFWSA-N 2 0 347.488 2.102 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000377556089 467085803 /nfs/dbraw/zinc/08/58/03/467085803.db2.gz YDMPCWMHQPGFCU-IPMKNSEASA-N 2 0 346.519 2.375 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000418455536 467113632 /nfs/dbraw/zinc/11/36/32/467113632.db2.gz DKJLHUXWMWKTNK-MRXNPFEDSA-N 2 0 340.471 2.419 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418568261 467129830 /nfs/dbraw/zinc/12/98/30/467129830.db2.gz HCIMYKQTIJRBHJ-FUHWJXTLSA-N 2 0 336.524 2.282 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418624385 467137296 /nfs/dbraw/zinc/13/72/96/467137296.db2.gz YVNICZLPAACWPI-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@]3(C)CCCO3)cn2)CC1 ZINC000428219253 467213638 /nfs/dbraw/zinc/21/36/38/467213638.db2.gz LSOGQWSTMNKMMM-VQIMIIECSA-N 2 0 332.492 2.271 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432344847 467233092 /nfs/dbraw/zinc/23/30/92/467233092.db2.gz FXVRHXZDTDWRLE-MRXNPFEDSA-N 2 0 343.475 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000413962886 467351270 /nfs/dbraw/zinc/35/12/70/467351270.db2.gz TYONGYLVNMXDJV-QGZVFWFLSA-N 2 0 349.475 2.449 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382721161 467378550 /nfs/dbraw/zinc/37/85/50/467378550.db2.gz MOJIAGZYYHVUHS-ROUUACIJSA-N 2 0 329.488 2.484 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000414274675 467396555 /nfs/dbraw/zinc/39/65/55/467396555.db2.gz VHEHVTWNAYZIAC-MTFMMBMASA-N 2 0 331.504 2.063 10 0 EEAERP C[NH+](C)Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000392436711 467426323 /nfs/dbraw/zinc/42/63/23/467426323.db2.gz OWRUFAGWUMMRMH-TXPKVOOTSA-N 2 0 331.460 2.219 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414945131 467455266 /nfs/dbraw/zinc/45/52/66/467455266.db2.gz QZJYKBWJBNHXCG-LPHOPBHVSA-N 3 0 330.520 2.305 10 0 EEAERP c1ccc(N2CCC([NH2+]C3CCC([NH+]4CCNCC4)CC3)CC2)cc1 ZINC000415057141 467477177 /nfs/dbraw/zinc/47/71/77/467477177.db2.gz RAVNWWSVFYCVDT-UHFFFAOYSA-N 2 0 342.531 2.461 10 0 EEAERP COC[C@H](C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514757932 467952957 /nfs/dbraw/zinc/95/29/57/467952957.db2.gz DQWFGHYHBDZMNV-QUCCMNQESA-N 2 0 331.504 2.161 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)CCC2 ZINC000594490683 468607118 /nfs/dbraw/zinc/60/71/18/468607118.db2.gz PXIYBSABCYYFTJ-IBGZPJMESA-N 2 0 345.487 2.078 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2COc3cccc(C)c3C2)CC[NH2+]CC1 ZINC000600708191 468627935 /nfs/dbraw/zinc/62/79/35/468627935.db2.gz JQMSJDAGALEWAS-JKSUJKDBSA-N 2 0 346.471 2.210 10 0 EEAERP COC(=O)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000600755780 468649680 /nfs/dbraw/zinc/64/96/80/468649680.db2.gz OYMMHMKCASBOKL-AWEZNQCLSA-N 2 0 338.473 2.125 10 0 EEAERP CC[C@H]1C[N@H+](C)CCN1C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000557919755 468658657 /nfs/dbraw/zinc/65/86/57/468658657.db2.gz HQRKWXGBCGJTTP-KRWDZBQOSA-N 2 0 330.476 2.159 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000571213332 468755984 /nfs/dbraw/zinc/75/59/84/468755984.db2.gz CCKLYNOHAMHGKZ-QGZVFWFLSA-N 2 0 329.488 2.300 10 0 EEAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cnccc1N ZINC000584523856 468891623 /nfs/dbraw/zinc/89/16/23/468891623.db2.gz BXGYGONFRYMBQV-MRXNPFEDSA-N 2 0 331.508 2.095 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCCC[C@H]1C ZINC000573566129 469162853 /nfs/dbraw/zinc/16/28/53/469162853.db2.gz QFZOARVELHOZKH-CABCVRRESA-N 2 0 329.448 2.396 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000573580836 469166367 /nfs/dbraw/zinc/16/63/67/469166367.db2.gz AVVSAKIZGYOHAX-NXHRZFHOSA-N 2 0 330.476 2.121 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccc(F)cc1C ZINC000563127646 469178365 /nfs/dbraw/zinc/17/83/65/469178365.db2.gz ZESUGPSGPZTFKY-ZVZYQTTQSA-N 2 0 335.467 2.111 10 0 EEAERP COC(=O)Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169968 469184484 /nfs/dbraw/zinc/18/44/84/469184484.db2.gz MKYDNXXCTYWUFK-DOTOQJQBSA-N 2 0 329.444 2.250 10 0 EEAERP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)ncn1 ZINC000623439838 469657226 /nfs/dbraw/zinc/65/72/26/469657226.db2.gz ZMZANTSFPSAHBJ-QGZVFWFLSA-N 2 0 331.508 2.470 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000627004251 469785996 /nfs/dbraw/zinc/78/59/96/469785996.db2.gz HCFMIHPXXLSWIP-ZGUYJTEBSA-N 2 0 336.524 2.469 10 0 EEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627015512 469791014 /nfs/dbraw/zinc/79/10/14/469791014.db2.gz SLFOFJOAAVJVQO-CGTJXYLNSA-N 2 0 332.492 2.193 10 0 EEAERP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000627116570 469817333 /nfs/dbraw/zinc/81/73/33/469817333.db2.gz NDVSQWONUGSVRH-SFHVURJKSA-N 2 0 344.503 2.279 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627134316 469820864 /nfs/dbraw/zinc/82/08/64/469820864.db2.gz XTDCNKZQYORWFM-QGZVFWFLSA-N 2 0 348.466 2.184 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627165787 469830745 /nfs/dbraw/zinc/83/07/45/469830745.db2.gz GNJXUKAPJXUKST-CEXWTWQISA-N 2 0 344.503 2.433 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627194344 469839300 /nfs/dbraw/zinc/83/93/00/469839300.db2.gz AWFPMSGEGBNSHE-MJGOQNOKSA-N 2 0 344.503 2.353 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000620966138 469962305 /nfs/dbraw/zinc/96/23/05/469962305.db2.gz AWDYBCZZIDFWLT-OALUTQOASA-N 2 0 347.503 2.249 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000620966694 469962484 /nfs/dbraw/zinc/96/24/84/469962484.db2.gz LRHKVVHVEDTBLJ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ocnc1C(F)F ZINC000625027646 470062834 /nfs/dbraw/zinc/06/28/34/470062834.db2.gz TZTUIMCBKWYABD-GFCCVEGCSA-N 2 0 344.406 2.100 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)o1 ZINC000628225528 470078293 /nfs/dbraw/zinc/07/82/93/470078293.db2.gz CVOXKBHPQHHGDC-UHFFFAOYSA-N 2 0 336.480 2.008 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](c2ccccc2)C1 ZINC000649104406 470465077 /nfs/dbraw/zinc/46/50/77/470465077.db2.gz ALXPAXCFXFNTJI-MJGOQNOKSA-N 2 0 334.423 2.410 10 0 EEAERP [NH3+]C/C=C/CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000641870184 470505577 /nfs/dbraw/zinc/50/55/77/470505577.db2.gz QTGFKIWYYBMTIH-WWAPKCSDSA-N 2 0 342.487 2.197 10 0 EEAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000649373403 470563950 /nfs/dbraw/zinc/56/39/50/470563950.db2.gz YFILRHGLVUAIQU-QZTJIDSGSA-N 2 0 342.487 2.085 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)CC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296526 470594807 /nfs/dbraw/zinc/59/48/07/470594807.db2.gz SPADAQYYROIWQT-AEFFLSMTSA-N 2 0 331.460 2.217 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000633954011 470649909 /nfs/dbraw/zinc/64/99/09/470649909.db2.gz JBODVGPZKCKMOS-MRXNPFEDSA-N 2 0 339.549 2.291 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453205 470702190 /nfs/dbraw/zinc/70/21/90/470702190.db2.gz OUTLOCIXMRHOME-KBPBESRZSA-N 2 0 327.419 2.135 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1C ZINC000647222125 470861675 /nfs/dbraw/zinc/86/16/75/470861675.db2.gz AATYWPSLGRHPOI-UHOSZYNNSA-N 2 0 347.478 2.255 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647471814 470910122 /nfs/dbraw/zinc/91/01/22/470910122.db2.gz NOKNPFSRJIZLAD-QGZVFWFLSA-N 2 0 346.475 2.423 10 0 EEAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647789574 470984723 /nfs/dbraw/zinc/98/47/23/470984723.db2.gz HJYQLYSNZAWYJF-BRSBDYLESA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC(=O)N1Cc1ccccc1 ZINC000647796607 470986291 /nfs/dbraw/zinc/98/62/91/470986291.db2.gz GGVAUCYWUMGFNI-RSRPTUBKSA-N 2 0 327.472 2.154 10 0 EEAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000654561768 471072558 /nfs/dbraw/zinc/07/25/58/471072558.db2.gz PAVXKEWDPBYVQI-LMSBXDPUSA-N 2 0 332.492 2.317 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000651192921 471084292 /nfs/dbraw/zinc/08/42/92/471084292.db2.gz FQKJIDVZDQPFPH-SFHVURJKSA-N 2 0 338.540 2.338 10 0 EEAERP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)o1 ZINC000657573454 471173022 /nfs/dbraw/zinc/17/30/22/471173022.db2.gz NQNVCGLVDOLDOD-HNNXBMFYSA-N 2 0 347.507 2.350 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137171 471242561 /nfs/dbraw/zinc/24/25/61/471242561.db2.gz BRKOBBHSWJTEBQ-RDJZCZTQSA-N 2 0 330.476 2.250 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)C1 ZINC000652347748 471275686 /nfs/dbraw/zinc/27/56/86/471275686.db2.gz KRUYKWJKSOBRTO-NSHGMRRFSA-N 2 0 348.487 2.300 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)C1 ZINC000652347746 471275882 /nfs/dbraw/zinc/27/58/82/471275882.db2.gz KRUYKWJKSOBRTO-GGPKGHCWSA-N 2 0 348.487 2.300 10 0 EEAERP CC1(C)CC(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000660516658 471374281 /nfs/dbraw/zinc/37/42/81/471374281.db2.gz WGLGHFRJZBWHND-UHFFFAOYSA-N 2 0 345.491 2.082 10 0 EEAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000663497930 471401762 /nfs/dbraw/zinc/40/17/62/471401762.db2.gz IMUFKRVHIGBZJZ-OAHLLOKOSA-N 2 0 330.432 2.311 10 0 EEAERP c1cc([C@H]2C[NH2+]CCO2)ccc1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663501251 471401910 /nfs/dbraw/zinc/40/19/10/471401910.db2.gz UCIWZRCCAQHXIU-OAHLLOKOSA-N 2 0 330.457 2.062 10 0 EEAERP C[C@H](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000663508235 471405231 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2 0 344.503 2.493 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)C3([NH3+])CC4(CCC4)C3)CCCC2)CC1 ZINC000659285573 471565939 /nfs/dbraw/zinc/56/59/39/471565939.db2.gz WATXVASTVWBEIH-UHFFFAOYSA-N 2 0 349.519 2.188 10 0 EEAERP C[NH+](C)CC[C@H](N)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000653347977 471593941 /nfs/dbraw/zinc/59/39/41/471593941.db2.gz WXACEBXOQBSPQU-ZBUUCQELSA-N 2 0 345.491 2.095 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000661040527 471600076 /nfs/dbraw/zinc/60/00/76/471600076.db2.gz PJNTWZRJNDLDHP-LJQANCHMSA-N 2 0 344.503 2.100 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659455142 471635862 /nfs/dbraw/zinc/63/58/62/471635862.db2.gz SVYKMLDQGDOWLX-QZTJIDSGSA-N 2 0 332.492 2.163 10 0 EEAERP CSc1ccc([C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)[NH+](C)C)cc1 ZINC000659497070 471655890 /nfs/dbraw/zinc/65/58/90/471655890.db2.gz AWSCVJDZSPRFEB-MNQCNDSGSA-N 2 0 348.516 2.062 10 0 EEAERP CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659573488 471681772 /nfs/dbraw/zinc/68/17/72/471681772.db2.gz OMLABKGLZSSRJE-KRWDZBQOSA-N 2 0 330.476 2.174 10 0 EEAERP Cc1nc(C)c(Br)c(NCCN(C)CCC[NH+](C)C)n1 ZINC000664244755 471694443 /nfs/dbraw/zinc/69/44/43/471694443.db2.gz JZEJNRCDSIGPKV-UHFFFAOYSA-N 3 0 344.301 2.151 10 0 EEAERP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468607 471725751 /nfs/dbraw/zinc/72/57/51/471725751.db2.gz OYQKOPBBEVTAMW-RBUKOAKNSA-N 2 0 339.487 2.342 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)c1ccco1 ZINC000664875130 471886390 /nfs/dbraw/zinc/88/63/90/471886390.db2.gz WAVBQBNDNKMCMG-XHSDSOJGSA-N 2 0 336.480 2.444 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654307815 471904035 /nfs/dbraw/zinc/90/40/35/471904035.db2.gz KJGSELIHZMNFSJ-ROUUACIJSA-N 2 0 345.487 2.374 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000665289593 471991377 /nfs/dbraw/zinc/99/13/77/471991377.db2.gz RZIGGVDLOGNFIF-OXJNMPFZSA-N 2 0 347.503 2.343 10 0 EEAERP CCCN(C[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662261486 472047957 /nfs/dbraw/zinc/04/79/57/472047957.db2.gz YHOMHLWNIGTVKW-PMACEKPBSA-N 2 0 331.504 2.351 10 0 EEAERP CC1CCC([NH+]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)CC1 ZINC000668815584 472280640 /nfs/dbraw/zinc/28/06/40/472280640.db2.gz QPVWOCYMRXWICE-PCKAHOCUSA-N 2 0 330.476 2.238 10 0 EEAERP FC(F)C(F)(F)COCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657449745 485563006 /nfs/dbraw/zinc/56/30/06/485563006.db2.gz BKHZTIMQJLPXFI-UHFFFAOYSA-N 2 0 332.301 2.274 10 0 EEAERP NC(=O)CC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000682671185 486532276 /nfs/dbraw/zinc/53/22/76/486532276.db2.gz AAVYSMMLDOSWCW-UHFFFAOYSA-N 2 0 331.460 2.049 10 0 EEAERP COC(=O)c1ccc2c(cnn2CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000768501772 577557023 /nfs/dbraw/zinc/55/70/23/577557023.db2.gz WLFFNQOVFXBWGO-WBVHZDCISA-N 2 0 342.443 2.197 10 0 EEAERP CC(C)[C@H]1CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@H](C(C)C)C2)C1 ZINC000755989160 578216768 /nfs/dbraw/zinc/21/67/68/578216768.db2.gz MQDOLMSDLPYUAG-ROUUACIJSA-N 2 0 344.565 2.357 10 0 EEAERP COCC[N@@H+](Cc1ccc2oc(=O)oc2c1)CC1CC[NH+](C)CC1 ZINC000895417061 684593368 /nfs/dbraw/zinc/59/33/68/684593368.db2.gz NKSAGRJPDBPDIE-UHFFFAOYSA-N 2 0 334.416 2.176 10 0 EEAERP C[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CCN1c1cc[nH+]cc1 ZINC000895556752 684641176 /nfs/dbraw/zinc/64/11/76/684641176.db2.gz JTAOFAIGSVQPME-INIZCTEOSA-N 2 0 334.427 2.373 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000895646670 684670229 /nfs/dbraw/zinc/67/02/29/684670229.db2.gz HSZYMIDTNPRUER-UHFFFAOYSA-N 2 0 329.444 2.490 10 0 EEAERP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897065756 686091922 /nfs/dbraw/zinc/09/19/22/686091922.db2.gz VPTVVDRNDSTFNY-GOSISDBHSA-N 2 0 343.471 2.250 10 0 EEAERP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000897524129 690852453 /nfs/dbraw/zinc/85/24/53/690852453.db2.gz RLCKLXXRHZRDPW-UHOSZYNNSA-N 2 0 344.503 2.115 10 0 EEAERP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]3C2)no1 ZINC001485655029 1191873410 /nfs/dbraw/zinc/87/34/10/1191873410.db2.gz DYCVTFFORCKEBE-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001485679411 1191894992 /nfs/dbraw/zinc/89/49/92/1191894992.db2.gz PBJCBSKCPDJTPF-VDGAXYAQSA-N 2 0 343.515 2.370 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485705584 1191899197 /nfs/dbraw/zinc/89/91/97/1191899197.db2.gz UXXOVGPHCOOIDZ-QAQDUYKDSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1nc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cn2ccnc2)oc1C ZINC001266247133 1176018116 /nfs/dbraw/zinc/01/81/16/1176018116.db2.gz DBYSJFQOELICDI-INIZCTEOSA-N 2 0 345.447 2.049 10 0 EEAERP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865234 1176133294 /nfs/dbraw/zinc/13/32/94/1176133294.db2.gz GBBMKZBMKHXHMD-LPHOPBHVSA-N 2 0 329.488 2.446 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1cccc(Cl)c1 ZINC001480866034 1176141395 /nfs/dbraw/zinc/14/13/95/1176141395.db2.gz UKKVQXOHKNNKOK-QGZVFWFLSA-N 2 0 335.879 2.230 10 0 EEAERP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001266488399 1176624194 /nfs/dbraw/zinc/62/41/94/1176624194.db2.gz IQOSWVCMIAJOMP-BDUNBXCCSA-N 2 0 337.508 2.034 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701763 1177226897 /nfs/dbraw/zinc/22/68/97/1177226897.db2.gz DVDYWUJWHLOEHP-GOSISDBHSA-N 2 0 341.455 2.323 10 0 EEAERP CN(CC[NH2+]Cc1ccccn1)C(=O)c1sccc1C[NH+](C)C ZINC001266716473 1177257676 /nfs/dbraw/zinc/25/76/76/1177257676.db2.gz SACXSGQKMBFDMS-UHFFFAOYSA-N 2 0 332.473 2.067 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCOC(C)C)C1 ZINC001266825549 1177498158 /nfs/dbraw/zinc/49/81/58/1177498158.db2.gz GRYIITPEQFHRDK-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001266851669 1177555275 /nfs/dbraw/zinc/55/52/75/1177555275.db2.gz BNZCQIMBDZLNCO-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266865560 1177619515 /nfs/dbraw/zinc/61/95/15/1177619515.db2.gz XNFZGRIUFNMBCI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cn1)C(=O)CCC[NH+]1CCCCC1 ZINC001267089160 1178214519 /nfs/dbraw/zinc/21/45/19/1178214519.db2.gz GDUYVKGSAUHCAD-UHFFFAOYSA-N 2 0 336.455 2.035 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001267383925 1178941063 /nfs/dbraw/zinc/94/10/63/1178941063.db2.gz DVCHQDVKUKMONZ-UHFFFAOYSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001267384059 1178942675 /nfs/dbraw/zinc/94/26/75/1178942675.db2.gz KGVLQJYXBQNEBB-LBPRGKRZSA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1F ZINC001267393502 1178964140 /nfs/dbraw/zinc/96/41/40/1178964140.db2.gz IWHOHJPLCBCGFH-SFHVURJKSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccc(F)cc1 ZINC001480995638 1179447235 /nfs/dbraw/zinc/44/72/35/1179447235.db2.gz ACEZZNVEZKTMAD-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cc(F)ccc1C ZINC001481011645 1179489960 /nfs/dbraw/zinc/48/99/60/1179489960.db2.gz IAWSGMBSEUFDQT-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481108431 1179756420 /nfs/dbraw/zinc/75/64/20/1179756420.db2.gz AUBJTXHLTFSGMQ-INIZCTEOSA-N 2 0 328.460 2.058 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)co1 ZINC001267921354 1180767539 /nfs/dbraw/zinc/76/75/39/1180767539.db2.gz NSELDUGORAOKTE-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CCCCCF)CC2)C1 ZINC001267948550 1180809243 /nfs/dbraw/zinc/80/92/43/1180809243.db2.gz KCGGVXUBJVQBMS-QGZVFWFLSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267960683 1180847727 /nfs/dbraw/zinc/84/77/27/1180847727.db2.gz JLVYBCJGYXCSFL-GDBMZVCRSA-N 2 0 345.422 2.210 10 0 EEAERP CC(C)OCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001481365170 1181131611 /nfs/dbraw/zinc/13/16/11/1181131611.db2.gz JZRWXAMQKAYEBF-RTBURBONSA-N 2 0 347.503 2.343 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001481386782 1181176160 /nfs/dbraw/zinc/17/61/60/1181176160.db2.gz YUAGDKXPPLRFIQ-OAGGEKHMSA-N 2 0 343.462 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C2CC2)no1 ZINC001268161602 1181874792 /nfs/dbraw/zinc/87/47/92/1181874792.db2.gz DSLVNDVIJMDTLA-INIZCTEOSA-N 2 0 348.491 2.365 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001268365165 1182338085 /nfs/dbraw/zinc/33/80/85/1182338085.db2.gz CGGJXVGWAKXYFP-DNVCBOLYSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001268367618 1182346209 /nfs/dbraw/zinc/34/62/09/1182346209.db2.gz UMEANNYXLVBYMH-MRXNPFEDSA-N 2 0 347.507 2.034 10 0 EEAERP CCN(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCOC)C1)c1ccccc1 ZINC001481746149 1182504825 /nfs/dbraw/zinc/50/48/25/1182504825.db2.gz AIYIXHBXJSGCLT-OALUTQOASA-N 2 0 347.503 2.249 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2ccnc2)C1)C1CCC1 ZINC001481754196 1182554898 /nfs/dbraw/zinc/55/48/98/1182554898.db2.gz KDWVHQBLPPKMRS-MSOLQXFVSA-N 2 0 348.491 2.011 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC[C@H]2CCOC2)CC1 ZINC001268415844 1182574389 /nfs/dbraw/zinc/57/43/89/1182574389.db2.gz PQSSKVTUMRUFOH-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC001481777545 1182675751 /nfs/dbraw/zinc/67/57/51/1182675751.db2.gz IUMIZXNNHKZGIZ-HNNXBMFYSA-N 2 0 338.521 2.216 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1cncs1 ZINC001481865333 1182833552 /nfs/dbraw/zinc/83/35/52/1182833552.db2.gz XXLQQMWLBYPRLM-HNNXBMFYSA-N 2 0 338.521 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001481982234 1183078102 /nfs/dbraw/zinc/07/81/02/1183078102.db2.gz IRSUAFIHNZIRNU-JFBXQDQPSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC001482000281 1183114090 /nfs/dbraw/zinc/11/40/90/1183114090.db2.gz LGRYIYFENKRCKB-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268540913 1183208463 /nfs/dbraw/zinc/20/84/63/1183208463.db2.gz BPCHFYWBZARAHF-PGFQARHSSA-N 2 0 333.451 2.236 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482066624 1183285886 /nfs/dbraw/zinc/28/58/86/1183285886.db2.gz ARCZLAVZPULANY-WOJBJXKFSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482161933 1183480897 /nfs/dbraw/zinc/48/08/97/1183480897.db2.gz XKNYPEUPUJYMMI-CQSZACIVSA-N 2 0 333.451 2.072 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc2ccccc2o1 ZINC001482160880 1183484576 /nfs/dbraw/zinc/48/45/76/1183484576.db2.gz NNCFTLLIJJAOHA-HNNXBMFYSA-N 2 0 341.455 2.371 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCCc2ccccc2)C1 ZINC001268703186 1183623999 /nfs/dbraw/zinc/62/39/99/1183623999.db2.gz JRPIKOWQGGZDIC-LJQANCHMSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001268790462 1183706805 /nfs/dbraw/zinc/70/68/05/1183706805.db2.gz FZUPPAAFRJYFTJ-GOSISDBHSA-N 2 0 349.523 2.275 10 0 EEAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268800380 1183716242 /nfs/dbraw/zinc/71/62/42/1183716242.db2.gz MDCDEJLEQHBMQG-GOEBONIOSA-N 2 0 336.505 2.098 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)c1F)C(=O)Cc1ncc[nH]1 ZINC001268893516 1183797667 /nfs/dbraw/zinc/79/76/67/1183797667.db2.gz AWIRESQPDUYGES-UHFFFAOYSA-N 2 0 338.814 2.383 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCc1ccccc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269071371 1183939758 /nfs/dbraw/zinc/93/97/58/1183939758.db2.gz IFWCGYYMLUVPEG-UXHICEINSA-N 2 0 341.499 2.055 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001269192229 1184047644 /nfs/dbraw/zinc/04/76/44/1184047644.db2.gz PJZMFNGYNMVXNZ-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235656 1184473769 /nfs/dbraw/zinc/47/37/69/1184473769.db2.gz NVILYEQHZWUGQF-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001284737855 1184749403 /nfs/dbraw/zinc/74/94/03/1184749403.db2.gz NUIKRXKHDZYGDQ-QWHCGFSZSA-N 2 0 341.393 2.057 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406645 1185630604 /nfs/dbraw/zinc/63/06/04/1185630604.db2.gz NBNIZRHKSNWCKY-SJORKVTESA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001271099099 1185885630 /nfs/dbraw/zinc/88/56/30/1185885630.db2.gz AKLVFUQZLMLTSU-OAHLLOKOSA-N 2 0 331.451 2.368 10 0 EEAERP COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482468102 1185972084 /nfs/dbraw/zinc/97/20/84/1185972084.db2.gz IWLOZIWQENBMQQ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CCCF ZINC001271395913 1186186319 /nfs/dbraw/zinc/18/63/19/1186186319.db2.gz UHNJKSVHOKOHKI-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001271495911 1186275537 /nfs/dbraw/zinc/27/55/37/1186275537.db2.gz ZQPSOOTYVNHZDJ-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699699 1187677222 /nfs/dbraw/zinc/67/72/22/1187677222.db2.gz ZDHFDGOTEMVCIM-FUHWJXTLSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001482890678 1187817843 /nfs/dbraw/zinc/81/78/43/1187817843.db2.gz YEUHFWUMPIZDIL-IUODEOHRSA-N 2 0 326.510 2.022 10 0 EEAERP Cc1cccc(CCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001482992136 1187970098 /nfs/dbraw/zinc/97/00/98/1187970098.db2.gz VRXPEHHSBHOXRD-LLHWWHOWSA-N 2 0 329.488 2.284 10 0 EEAERP Cc1nc(C(C)C)oc1CNC/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001483018861 1188005861 /nfs/dbraw/zinc/00/58/61/1188005861.db2.gz RYZNTZBTMDCOHL-SREVYHEPSA-N 2 0 348.491 2.353 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001483022143 1188011370 /nfs/dbraw/zinc/01/13/70/1188011370.db2.gz RZGJOFFLIDRPOQ-XYBNCVKDSA-N 2 0 329.435 2.168 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(CF)cc1 ZINC001483022501 1188011711 /nfs/dbraw/zinc/01/17/11/1188011711.db2.gz KDHAJQJPSVRFCF-OAJJDEHYSA-N 2 0 333.451 2.402 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483044792 1188242114 /nfs/dbraw/zinc/24/21/14/1188242114.db2.gz RXFDJIOMZZPNLX-LHRDXKRPSA-N 2 0 326.444 2.024 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cncc(F)c2)C1 ZINC001483049685 1188288129 /nfs/dbraw/zinc/28/81/29/1188288129.db2.gz PFTBOFQVFVQIFP-CWIOURORSA-N 2 0 348.466 2.105 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001691602946 1188302945 /nfs/dbraw/zinc/30/29/45/1188302945.db2.gz MARCZOXWDXRRJC-UHFFFAOYSA-N 2 0 341.858 2.165 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1Cl ZINC001483054173 1188313646 /nfs/dbraw/zinc/31/36/46/1188313646.db2.gz KHZLEKSLUXMICL-ARJAWSKDSA-N 2 0 327.831 2.193 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001272828778 1193567050 /nfs/dbraw/zinc/56/70/50/1193567050.db2.gz DAJVMWWJBFCZSC-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001272838564 1193571466 /nfs/dbraw/zinc/57/14/66/1193571466.db2.gz YZQZCDCYVHPSFA-IUIKQTSFSA-N 2 0 348.397 2.476 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272864909 1193583273 /nfs/dbraw/zinc/58/32/73/1193583273.db2.gz JGKNQTCUEKESRQ-GUYCJALGSA-N 2 0 334.464 2.021 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001409348666 1189556746 /nfs/dbraw/zinc/55/67/46/1189556746.db2.gz FRCCTFHAIJWZGH-CABCVRRESA-N 2 0 349.523 2.240 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001409423983 1189655805 /nfs/dbraw/zinc/65/58/05/1189655805.db2.gz ZRQVOVGYLGOXCI-CABCVRRESA-N 2 0 338.521 2.166 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432597 1189665748 /nfs/dbraw/zinc/66/57/48/1189665748.db2.gz MJJQDJDCUGDTJN-HZPDHXFCSA-N 2 0 331.504 2.500 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001409762893 1190252771 /nfs/dbraw/zinc/25/27/71/1190252771.db2.gz OECUDZIRVBYWOK-ROUUACIJSA-N 2 0 346.519 2.304 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483272474 1190296730 /nfs/dbraw/zinc/29/67/30/1190296730.db2.gz YQRASMNBDLZXDB-GJZGRUSLSA-N 2 0 338.521 2.044 10 0 EEAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001483356862 1190395918 /nfs/dbraw/zinc/39/59/18/1190395918.db2.gz MGUIVXSHGNIEOE-RDJZCZTQSA-N 2 0 330.476 2.382 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001483380266 1190424263 /nfs/dbraw/zinc/42/42/63/1190424263.db2.gz AILCNAOBECZOSE-AWEZNQCLSA-N 2 0 325.884 2.271 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)s1 ZINC001483382286 1190426774 /nfs/dbraw/zinc/42/67/74/1190426774.db2.gz BAIMDIRICBKLGD-QWHCGFSZSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001486094459 1193679776 /nfs/dbraw/zinc/67/97/76/1193679776.db2.gz BDCHHTOBMPAHAG-OSKOBQJQSA-N 2 0 327.472 2.375 10 0 EEAERP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CCF)c1cnn(-c2ccncc2)c1 ZINC001483441578 1190481868 /nfs/dbraw/zinc/48/18/68/1190481868.db2.gz IMNAAPGYMCQKDC-RHSMWYFYSA-N 2 0 345.422 2.115 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001486094460 1193679637 /nfs/dbraw/zinc/67/96/37/1193679637.db2.gz BDCHHTOBMPAHAG-YXGRLTDGSA-N 2 0 327.472 2.375 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001483606521 1190585407 /nfs/dbraw/zinc/58/54/07/1190585407.db2.gz DFXZLYYZBWOPSM-QZTJIDSGSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621351 1190604842 /nfs/dbraw/zinc/60/48/42/1190604842.db2.gz GXLNGCBDWCBONV-RDJZCZTQSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)CN1C(=O)CC[NH+](C)C ZINC001486122820 1193688253 /nfs/dbraw/zinc/68/82/53/1193688253.db2.gz UXFBHXANBWLBGS-UKRRQHHQSA-N 2 0 339.430 2.038 10 0 EEAERP Cc1c(C(=O)NCC2([NH2+]CCOCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001483746866 1190899679 /nfs/dbraw/zinc/89/96/79/1190899679.db2.gz PJGSXRIQJFSMRE-UHFFFAOYSA-N 2 0 344.459 2.167 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)s1 ZINC001483768335 1191002427 /nfs/dbraw/zinc/00/24/27/1191002427.db2.gz XTBOALJAXJRVGN-UHFFFAOYSA-N 2 0 338.521 2.168 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001483812899 1191057426 /nfs/dbraw/zinc/05/74/26/1191057426.db2.gz WBMDMLSUDZCLTA-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483913146 1191114145 /nfs/dbraw/zinc/11/41/45/1191114145.db2.gz FQDRIISPCHWMAO-RDJZCZTQSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483915102 1191114939 /nfs/dbraw/zinc/11/49/39/1191114939.db2.gz DMSCJAMATUMAQS-QWHCGFSZSA-N 2 0 333.398 2.004 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483938473 1191124194 /nfs/dbraw/zinc/12/41/94/1191124194.db2.gz XEVUJTXFCWTZLT-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001484057723 1191185770 /nfs/dbraw/zinc/18/57/70/1191185770.db2.gz LSZLQBPZIRKAOL-FQEVSTJZSA-N 2 0 340.471 2.267 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CC=C(C)C)CCC1(F)F ZINC001484195689 1191267909 /nfs/dbraw/zinc/26/79/09/1191267909.db2.gz JWTXSGHPHUMJFP-HNNXBMFYSA-N 2 0 331.451 2.368 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccns2)C3)CCC1 ZINC001484315687 1191300230 /nfs/dbraw/zinc/30/02/30/1191300230.db2.gz BDRIJIWKYCSGJQ-ZNMIVQPWSA-N 2 0 348.516 2.097 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)sn1 ZINC001484347514 1191313105 /nfs/dbraw/zinc/31/31/05/1191313105.db2.gz ORLMJIXPVNMASO-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1ccccc1 ZINC001484463340 1191367357 /nfs/dbraw/zinc/36/73/57/1191367357.db2.gz IVANKHPQSXUEFQ-RBUKOAKNSA-N 2 0 329.488 2.246 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[NH+](CC2CCCC2)CC3)CC1 ZINC001484580752 1191425655 /nfs/dbraw/zinc/42/56/55/1191425655.db2.gz RVNGWLVJKKQJGJ-UHFFFAOYSA-N 2 0 333.520 2.443 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC(C)C)C1 ZINC001484678292 1191467264 /nfs/dbraw/zinc/46/72/64/1191467264.db2.gz JWSQIEIDYAHZOT-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCO[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001484700619 1191472248 /nfs/dbraw/zinc/47/22/48/1191472248.db2.gz PSNNVOPNEZDMKJ-LJQANCHMSA-N 2 0 349.519 2.180 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1cccc(Cl)n1 ZINC001484768768 1191522818 /nfs/dbraw/zinc/52/28/18/1191522818.db2.gz FQGDVTMYKFGHRC-UHFFFAOYSA-N 2 0 340.899 2.356 10 0 EEAERP CCC1([NH2+]Cc2c(C)noc2C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484809369 1191531966 /nfs/dbraw/zinc/53/19/66/1191531966.db2.gz GITQIYSHZRCPDA-KRWDZBQOSA-N 2 0 348.491 2.246 10 0 EEAERP CCC1([NH2+]CCCCOC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819577 1191539427 /nfs/dbraw/zinc/53/94/27/1191539427.db2.gz RBMQTRWRCNHBMG-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(CC1)C[N@H+](CC1=CCCCC1)CCO2 ZINC001485009794 1191614791 /nfs/dbraw/zinc/61/47/91/1191614791.db2.gz ITMVMGFNUMSUKY-UHFFFAOYSA-N 2 0 349.519 2.132 10 0 EEAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001485185357 1191680709 /nfs/dbraw/zinc/68/07/09/1191680709.db2.gz DGINVOBXCSRPBN-STQMWFEESA-N 2 0 339.430 2.289 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001486182150 1193718990 /nfs/dbraw/zinc/71/89/90/1193718990.db2.gz XLLHLSXQBADBFQ-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001486371432 1193875001 /nfs/dbraw/zinc/87/50/01/1193875001.db2.gz CYJNBEDKFZFYFL-UHFFFAOYSA-N 2 0 329.448 2.460 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001486441013 1193968875 /nfs/dbraw/zinc/96/88/75/1193968875.db2.gz DTWABRUWJPAVEA-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001486462668 1193985554 /nfs/dbraw/zinc/98/55/54/1193985554.db2.gz HOTXEWILQUZHEI-NRXISQOPSA-N 2 0 349.441 2.291 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](Cc2ccccc2F)CC1 ZINC001486520287 1194040748 /nfs/dbraw/zinc/04/07/48/1194040748.db2.gz KODCEQSEXUDRTM-UHFFFAOYSA-N 2 0 331.435 2.170 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273123158 1194406401 /nfs/dbraw/zinc/40/64/01/1194406401.db2.gz OFLQGQYCWUGYTF-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CCc2cccs2)CC1(C)C)[NH+](C)C ZINC001410028229 1197461791 /nfs/dbraw/zinc/46/17/91/1197461791.db2.gz VLYNCVNTNZTHLA-HOTGVXAUSA-N 2 0 337.533 2.457 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]21 ZINC001410127483 1197558717 /nfs/dbraw/zinc/55/87/17/1197558717.db2.gz OJMIJZNBTMDCMX-NNZMDNLPSA-N 2 0 349.906 2.128 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C1 ZINC001410183032 1197590221 /nfs/dbraw/zinc/59/02/21/1197590221.db2.gz LCEPRUHGOSZWGS-BFHYXJOUSA-N 2 0 335.414 2.107 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001410251284 1197634337 /nfs/dbraw/zinc/63/43/37/1197634337.db2.gz RLBSAVZVGIINQF-UHFFFAOYSA-N 2 0 347.503 2.248 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001410334666 1197723423 /nfs/dbraw/zinc/72/34/23/1197723423.db2.gz AIIRGEFAJGLXTO-PBHICJAKSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001410378029 1197772303 /nfs/dbraw/zinc/77/23/03/1197772303.db2.gz LMTWQWPEIPAETG-WCQYABFASA-N 2 0 334.291 2.084 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cnc1F ZINC000865090459 1198081946 /nfs/dbraw/zinc/08/19/46/1198081946.db2.gz ZJJHJRKCFHKTTM-OAHLLOKOSA-N 2 0 336.455 2.017 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000865246517 1198139544 /nfs/dbraw/zinc/13/95/44/1198139544.db2.gz JAWGOQCTNYGGAP-MRXNPFEDSA-N 2 0 338.565 2.296 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nnc(-c3ccccc3)s2)C[C@H]1C[NH+](C)C ZINC000866011516 1198454195 /nfs/dbraw/zinc/45/41/95/1198454195.db2.gz GIGVLINHKRWIGA-HZPDHXFCSA-N 2 0 345.516 2.381 10 0 EEAERP c1c(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)sc2c1C[NH2+]CC2 ZINC000873204611 1198529728 /nfs/dbraw/zinc/52/97/28/1198529728.db2.gz HRWPFQXMMLKJOY-MRXNPFEDSA-N 2 0 335.517 2.081 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873239391 1198538450 /nfs/dbraw/zinc/53/84/50/1198538450.db2.gz VIGLCKRCXIFZEI-HRAFVFASSA-N 2 0 326.440 2.255 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001410946841 1198612811 /nfs/dbraw/zinc/61/28/11/1198612811.db2.gz BZWHNUDQIIEBRP-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001410962416 1198636989 /nfs/dbraw/zinc/63/69/89/1198636989.db2.gz RZJHPOUQXHZLKS-CVEARBPZSA-N 2 0 336.480 2.006 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000810061083 1199252410 /nfs/dbraw/zinc/25/24/10/1199252410.db2.gz JYKPJRJAZKKVHO-SFHVURJKSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc(Cl)n1 ZINC000868036267 1201731501 /nfs/dbraw/zinc/73/15/01/1201731501.db2.gz WHEMCOITLVNQET-NWANDNLSSA-N 2 0 336.867 2.034 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1cc(C2CC2)no1 ZINC001274027192 1204335093 /nfs/dbraw/zinc/33/50/93/1204335093.db2.gz ULWCPAOADMZAAG-OAJJDEHYSA-N 2 0 346.475 2.187 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001274105143 1204372787 /nfs/dbraw/zinc/37/27/87/1204372787.db2.gz GVTYPTUGNQHZJX-MJRGOJFPSA-N 2 0 335.467 2.482 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC001274439268 1205037990 /nfs/dbraw/zinc/03/79/90/1205037990.db2.gz RQTNDJKUDXHXTN-HMECNJMJSA-N 2 0 345.487 2.193 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274499994 1205058808 /nfs/dbraw/zinc/05/88/08/1205058808.db2.gz ZJMJCNWJQHGSQO-WRFKIARRSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001274578320 1205085741 /nfs/dbraw/zinc/08/57/41/1205085741.db2.gz HGBVSXJZSDWGIS-QGZUEGPWSA-N 2 0 335.879 2.362 10 0 EEAERP CC[N@H+](CCCOC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001274950723 1205216564 /nfs/dbraw/zinc/21/65/64/1205216564.db2.gz UUHCWJRIQVKOBP-IAGOWNOFSA-N 2 0 348.491 2.110 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001411887691 1205580453 /nfs/dbraw/zinc/58/04/53/1205580453.db2.gz QJPKLMOZYLRHNE-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001276093272 1205778747 /nfs/dbraw/zinc/77/87/47/1205778747.db2.gz OXTDUDRQHYRDQJ-UHFFFAOYSA-N 2 0 332.448 2.119 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924694544 1206019889 /nfs/dbraw/zinc/01/98/89/1206019889.db2.gz MTESNFCDRSBMIX-QGZVFWFLSA-N 2 0 339.487 2.465 10 0 EEAERP C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924972129 1206056886 /nfs/dbraw/zinc/05/68/86/1206056886.db2.gz WMTBVRNBWFGQPU-HOTGVXAUSA-N 2 0 332.488 2.404 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000925333475 1206099198 /nfs/dbraw/zinc/09/91/98/1206099198.db2.gz FENBXTRKRRJAHF-DOTOQJQBSA-N 2 0 332.492 2.289 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C12CCC2 ZINC000925517034 1206121926 /nfs/dbraw/zinc/12/19/26/1206121926.db2.gz XBIRCKVIQYSQEP-YUELXQCFSA-N 2 0 338.835 2.004 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925538076 1206124868 /nfs/dbraw/zinc/12/48/68/1206124868.db2.gz QQMVEUNHMVZWDW-WOJBJXKFSA-N 3 0 342.531 2.054 10 0 EEAERP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925592389 1206133205 /nfs/dbraw/zinc/13/32/05/1206133205.db2.gz FTTMCTKFSZZSRZ-HXUWFJFHSA-N 3 0 342.531 2.463 10 0 EEAERP O=C1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CN1Cc1ccccc1 ZINC000925630318 1206137609 /nfs/dbraw/zinc/13/76/09/1206137609.db2.gz RBPNKTGSUFUONX-MSOLQXFVSA-N 2 0 327.472 2.299 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000925657538 1206140849 /nfs/dbraw/zinc/14/08/49/1206140849.db2.gz JHQZDPOQBDFZPW-ZACQAIPSSA-N 2 0 333.451 2.422 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CC(C)(C)CO2)CC[NH2+]CC1 ZINC000925773297 1206153170 /nfs/dbraw/zinc/15/31/70/1206153170.db2.gz CJKPYVBLCCGRBC-CABCVRRESA-N 2 0 326.481 2.103 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000925784611 1206153689 /nfs/dbraw/zinc/15/36/89/1206153689.db2.gz SMYRYNMAESPKIG-ATNYBXOESA-N 2 0 341.455 2.181 10 0 EEAERP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000925799966 1206154845 /nfs/dbraw/zinc/15/48/45/1206154845.db2.gz QLOGSBPOJXFJHS-JFIYKMOQSA-N 2 0 347.503 2.440 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cncc(F)c1 ZINC000925810051 1206156605 /nfs/dbraw/zinc/15/66/05/1206156605.db2.gz UXYPPXAOFZBDPN-OAHLLOKOSA-N 2 0 328.435 2.477 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000925815161 1206156918 /nfs/dbraw/zinc/15/69/18/1206156918.db2.gz OLYAWCHNWLXVMP-MRXNPFEDSA-N 2 0 327.476 2.005 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000925816410 1206157205 /nfs/dbraw/zinc/15/72/05/1206157205.db2.gz GQOVQJDUSJAURQ-BEFAXECRSA-N 2 0 335.467 2.306 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000925816412 1206157266 /nfs/dbraw/zinc/15/72/66/1206157266.db2.gz GQOVQJDUSJAURQ-HNAYVOBHSA-N 2 0 335.467 2.306 10 0 EEAERP CCO[C@H](CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925838619 1206158650 /nfs/dbraw/zinc/15/86/50/1206158650.db2.gz MQINPVJZNUJFNV-GUDVDZBRSA-N 2 0 335.492 2.045 10 0 EEAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837200 1206158827 /nfs/dbraw/zinc/15/88/27/1206158827.db2.gz COOLKPCOQYBDOO-WCQYABFASA-N 2 0 327.270 2.242 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925903143 1206165900 /nfs/dbraw/zinc/16/59/00/1206165900.db2.gz CMINUXUGXZULBS-SJLPKXTDSA-N 2 0 347.507 2.058 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925919289 1206168481 /nfs/dbraw/zinc/16/84/81/1206168481.db2.gz DDYRQOXIZGANPI-QGZVFWFLSA-N 2 0 349.523 2.494 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1cnn(C2CCC2)c1)C(=O)NCC[NH+](C)C ZINC000925955157 1206174128 /nfs/dbraw/zinc/17/41/28/1206174128.db2.gz UKAAEZATAUOPOL-QAPCUYQASA-N 2 0 349.523 2.351 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000926095211 1206191427 /nfs/dbraw/zinc/19/14/27/1206191427.db2.gz IQQYEMCUDYWRJZ-KRWDZBQOSA-N 2 0 345.491 2.030 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCCCC1 ZINC000928089311 1206338431 /nfs/dbraw/zinc/33/84/31/1206338431.db2.gz JXNGPNOEOFDHSY-HOTGVXAUSA-N 2 0 339.549 2.195 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000929771625 1206500321 /nfs/dbraw/zinc/50/03/21/1206500321.db2.gz QXZDZGXZZUXSGZ-QGZVFWFLSA-N 2 0 330.538 2.331 10 0 EEAERP C[N@H+](C[C@@H](O)COc1ccc2cc[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460522 1206559694 /nfs/dbraw/zinc/55/96/94/1206559694.db2.gz PEXILFSZBGYWCZ-UJJTZGENSA-N 2 0 343.471 2.465 10 0 EEAERP C[N@@H+]1C[C@@]2(C)CN(CCOCC(F)(F)C(F)(F)F)C[C@@]2(C)C1 ZINC000931313895 1206624118 /nfs/dbraw/zinc/62/41/18/1206624118.db2.gz IALHDVCPIXYCSF-TXEJJXNPSA-N 2 0 330.341 2.474 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001490852675 1209768724 /nfs/dbraw/zinc/76/87/24/1209768724.db2.gz UITSSNXUYGBHCT-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000722491768 1230175934 /nfs/dbraw/zinc/17/59/34/1230175934.db2.gz XSZZARWQDWWUHY-HNNXBMFYSA-N 2 0 348.447 2.191 10 0 EEAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000901291552 1235486994 /nfs/dbraw/zinc/48/69/94/1235486994.db2.gz JURCRYFLKDZEST-HXUWFJFHSA-N 2 0 345.487 2.110 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1COc2ccccc2C1 ZINC000902803742 1238569163 /nfs/dbraw/zinc/56/91/63/1238569163.db2.gz XZYBXRFKZDKOMV-UHOSZYNNSA-N 2 0 343.515 2.384 10 0 EEAERP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)c1 ZINC000903083264 1239690450 /nfs/dbraw/zinc/69/04/50/1239690450.db2.gz CQYOADICEBYUIW-MSOLQXFVSA-N 2 0 336.501 2.498 10 0 EEAERP Fc1ccc(-c2noc(CC3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)n2)nc1 ZINC000903565973 1240960427 /nfs/dbraw/zinc/96/04/27/1240960427.db2.gz WFMIKTYXTZACDE-CQSZACIVSA-N 2 0 345.422 2.135 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000903937739 1242586645 /nfs/dbraw/zinc/58/66/45/1242586645.db2.gz QMHHOBBTQWJZBU-XLIONFOSSA-N 2 0 337.471 2.293 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CC/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001491068859 1258635369 /nfs/dbraw/zinc/63/53/69/1258635369.db2.gz CUMITLKZFZTGSP-BFTLDODOSA-N 2 0 339.483 2.423 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001491150952 1258729623 /nfs/dbraw/zinc/72/96/23/1258729623.db2.gz AWHFHNLFBDXQGQ-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ccc(Cl)nc1 ZINC001273590993 1280607609 /nfs/dbraw/zinc/60/76/09/1280607609.db2.gz AJAYNUBCFIMQGQ-UHFFFAOYSA-N 2 0 340.899 2.356 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1[C@H]1CCc2ccccc21)C(=O)C[NH+]1CCCC1 ZINC001488694887 1290138425 /nfs/dbraw/zinc/13/84/25/1290138425.db2.gz WWVNECIDWSVBRA-HKUYNNGSSA-N 2 0 327.472 2.302 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[N@H+](C)CC)C2 ZINC001489337773 1290521516 /nfs/dbraw/zinc/52/15/16/1290521516.db2.gz RMYPCCZRZWNJON-UHFFFAOYSA-N 2 0 338.521 2.259 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCOc2ccccc2C)C1)[NH+](C)C ZINC001490549213 1291421341 /nfs/dbraw/zinc/42/13/41/1291421341.db2.gz CDORORNFZNVEEF-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740825 1291654897 /nfs/dbraw/zinc/65/48/97/1291654897.db2.gz GWOWTHOCHWZVIH-QZTJIDSGSA-N 2 0 348.491 2.088 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000851785548 1291831483 /nfs/dbraw/zinc/83/14/83/1291831483.db2.gz QLVCEJQZAJOZOH-HOTGVXAUSA-N 2 0 348.424 2.379 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C=C1CC[NH2+]CC1 ZINC000852868109 1292221775 /nfs/dbraw/zinc/22/17/75/1292221775.db2.gz NPTFMOJYJZSJAX-IBGZPJMESA-N 2 0 327.472 2.277 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c[nH]nc3C)C2)ccn1 ZINC000856552955 1293565367 /nfs/dbraw/zinc/56/53/67/1293565367.db2.gz IZJZXTWAYWFXAM-GOSISDBHSA-N 2 0 329.448 2.218 10 0 EEAERP CC(C)[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605017 1293579683 /nfs/dbraw/zinc/57/96/83/1293579683.db2.gz VIXZGFURJLAONL-RBUKOAKNSA-N 2 0 335.492 2.392 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000863549334 1296330121 /nfs/dbraw/zinc/33/01/21/1296330121.db2.gz AEWMQMRKNADTTB-GBESFXJTSA-N 2 0 341.455 2.321 10 0 EEAERP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277187349 1301724793 /nfs/dbraw/zinc/72/47/93/1301724793.db2.gz SMFHWNIYNWGSAN-OCCSQVGLSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277187350 1301724836 /nfs/dbraw/zinc/72/48/36/1301724836.db2.gz SMFHWNIYNWGSAN-TZMCWYRMSA-N 2 0 335.414 2.155 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncn1C ZINC001277314250 1302341472 /nfs/dbraw/zinc/34/14/72/1302341472.db2.gz OWFVVGIUHJDCNV-WMZOPIPTSA-N 2 0 349.523 2.058 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001277334776 1302474988 /nfs/dbraw/zinc/47/49/88/1302474988.db2.gz APOSWAMUTZQPPI-HIFRSBDPSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356274 1302614890 /nfs/dbraw/zinc/61/48/90/1302614890.db2.gz RDGTWALVTDAGCB-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001277655152 1304109187 /nfs/dbraw/zinc/10/91/87/1304109187.db2.gz KKBBDNLJEHTUAB-SJORKVTESA-N 2 0 325.472 2.190 10 0 EEAERP CC(C)COCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001277917137 1305089536 /nfs/dbraw/zinc/08/95/36/1305089536.db2.gz PONCGRPNHZGMMA-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)[C@@H]1C ZINC001278307136 1309234208 /nfs/dbraw/zinc/23/42/08/1309234208.db2.gz BMMOBXYJTHAPFG-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841851147 1315623347 /nfs/dbraw/zinc/62/33/47/1315623347.db2.gz KZSOYAQWHZYVKG-WMLDXEAASA-N 2 0 336.867 2.035 10 0 EEAERP [NH3+]CCc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000841930854 1315640263 /nfs/dbraw/zinc/64/02/63/1315640263.db2.gz MKIGKTZMULOUSS-IBGZPJMESA-N 2 0 344.503 2.348 10 0 EEAERP [NH3+]CCc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000841930856 1315640326 /nfs/dbraw/zinc/64/03/26/1315640326.db2.gz MKIGKTZMULOUSS-LJQANCHMSA-N 2 0 344.503 2.348 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCCCF)CCC1(F)F ZINC001278742175 1317943577 /nfs/dbraw/zinc/94/35/77/1317943577.db2.gz VDXOVARMNVXEKL-CABCVRRESA-N 2 0 349.441 2.294 10 0 EEAERP CC(C)OCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001276413876 1321919980 /nfs/dbraw/zinc/91/99/80/1321919980.db2.gz JKNJFKSXXACPLG-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CCOCC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCCC[NH+]1C ZINC001264665322 1322772245 /nfs/dbraw/zinc/77/22/45/1322772245.db2.gz YEGKLQCYTFYMIW-QGZVFWFLSA-N 2 0 341.540 2.314 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264755333 1322810504 /nfs/dbraw/zinc/81/05/04/1322810504.db2.gz NQPKOSSQTHCALV-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)s1 ZINC001264994854 1322843373 /nfs/dbraw/zinc/84/33/73/1322843373.db2.gz KTQXJDMIGJUPEB-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001265312554 1323061739 /nfs/dbraw/zinc/06/17/39/1323061739.db2.gz QITDKTNEAQYWLH-CYBMUJFWSA-N 2 0 333.398 2.005 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001265871788 1323445142 /nfs/dbraw/zinc/44/51/42/1323445142.db2.gz GMEJCPVYYMOSLZ-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001266146758 1323716936 /nfs/dbraw/zinc/71/69/36/1323716936.db2.gz RDVCFNMWDGDDNF-GZBFAFLISA-N 2 0 338.883 2.060 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCCCCF ZINC001279124642 1323836049 /nfs/dbraw/zinc/83/60/49/1323836049.db2.gz NGWPQOJHMDALKO-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001279581847 1323946076 /nfs/dbraw/zinc/94/60/76/1323946076.db2.gz KMFWTHPJIGMCHO-WBVHZDCISA-N 2 0 325.472 2.357 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001280094703 1324083787 /nfs/dbraw/zinc/08/37/87/1324083787.db2.gz NMGBQZZTIDSWOK-DZGCQCFKSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001280173715 1324104399 /nfs/dbraw/zinc/10/43/99/1324104399.db2.gz RRDJDXOSVYFQIP-QGZVFWFLSA-N 2 0 344.503 2.060 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001282269254 1325673062 /nfs/dbraw/zinc/67/30/62/1325673062.db2.gz ACEKVTGZDFLSFJ-WWDZGPRUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283174197 1325944668 /nfs/dbraw/zinc/94/46/68/1325944668.db2.gz RARKULBAQPWCMN-KXBFYZLASA-N 2 0 344.503 2.106 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncs1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001283213865 1325957562 /nfs/dbraw/zinc/95/75/62/1325957562.db2.gz IMPBHXCJDFLKPG-CQSZACIVSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001284995231 1326818391 /nfs/dbraw/zinc/81/83/91/1326818391.db2.gz OAHHGRGIPXZTGX-INIZCTEOSA-N 2 0 325.472 2.359 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001491790200 1330256788 /nfs/dbraw/zinc/25/67/88/1330256788.db2.gz BFZBVOUAKYVBRX-MAUKXSAKSA-N 2 0 349.906 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854914 1330275236 /nfs/dbraw/zinc/27/52/36/1330275236.db2.gz AMNNNGBJAGGRFB-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001491904297 1330298506 /nfs/dbraw/zinc/29/85/06/1330298506.db2.gz RHSWLTHXHNMEQR-LJQANCHMSA-N 2 0 329.488 2.353 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001491935568 1330327366 /nfs/dbraw/zinc/32/73/66/1330327366.db2.gz YEBVVTACAHJHGC-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)ccc1C ZINC001491947257 1330339088 /nfs/dbraw/zinc/33/90/88/1330339088.db2.gz SOXXNJJNRFGWOV-SFHVURJKSA-N 2 0 347.503 2.378 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001492073736 1330445761 /nfs/dbraw/zinc/44/57/61/1330445761.db2.gz SDGRRNNEDPOJNT-VYDXJSESSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001492129856 1330982888 /nfs/dbraw/zinc/98/28/88/1330982888.db2.gz SWJTVDGZUUOFCY-CQSZACIVSA-N 2 0 338.496 2.297 10 0 EEAERP Cc1nccnc1C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001492092393 1330999250 /nfs/dbraw/zinc/99/92/50/1330999250.db2.gz PFUJRGRTWROKAI-WBVHZDCISA-N 2 0 347.507 2.034 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCc1ccccc1 ZINC001492450340 1331263119 /nfs/dbraw/zinc/26/31/19/1331263119.db2.gz NKQYYHKOOQLHNC-RBUKOAKNSA-N 2 0 329.488 2.294 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cnc(C)cn1 ZINC001316826351 1331917213 /nfs/dbraw/zinc/91/72/13/1331917213.db2.gz BGSDQWLYJOPSBV-WMZOPIPTSA-N 2 0 347.507 2.159 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316860001 1331938791 /nfs/dbraw/zinc/93/87/91/1331938791.db2.gz SQOIASRIMYGWCE-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)CC[N@@H+]1C ZINC001317186538 1332120747 /nfs/dbraw/zinc/12/07/47/1332120747.db2.gz RKZXKBMVGYLLBV-MGPQQGTHSA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317189039 1332122685 /nfs/dbraw/zinc/12/26/85/1332122685.db2.gz NVJIPCWFZOZWGT-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001317260057 1332156525 /nfs/dbraw/zinc/15/65/25/1332156525.db2.gz ZWVQIIFOLIPGPQ-QGZVFWFLSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCCCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001317342192 1332186966 /nfs/dbraw/zinc/18/69/66/1332186966.db2.gz HVUAXNGVLQSKCP-AEFFLSMTSA-N 2 0 325.472 2.050 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2([NH+](C)C)CCC2)co1 ZINC001317423483 1332226834 /nfs/dbraw/zinc/22/68/34/1332226834.db2.gz LNXPCHUUKGHIAG-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001317425421 1332228948 /nfs/dbraw/zinc/22/89/48/1332228948.db2.gz ZMOLZKFUSDXUNG-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC(F)(F)F ZINC001317429981 1332233514 /nfs/dbraw/zinc/23/35/14/1332233514.db2.gz ZLGQZBRJSBSZSJ-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(F)(F)F ZINC001317429980 1332233877 /nfs/dbraw/zinc/23/38/77/1332233877.db2.gz ZLGQZBRJSBSZSJ-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001317432599 1332236303 /nfs/dbraw/zinc/23/63/03/1332236303.db2.gz AZAZTLCIRKRMGT-JBGNVSFKSA-N 2 0 325.884 2.196 10 0 EEAERP CC(C)n1ccc(C[N@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C(C)C)n1 ZINC001317708560 1332382041 /nfs/dbraw/zinc/38/20/41/1332382041.db2.gz HNJFMDMEHXGUBG-KRWDZBQOSA-N 2 0 349.523 2.132 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001317988329 1332458332 /nfs/dbraw/zinc/45/83/32/1332458332.db2.gz WCFKAARDYHBUQW-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318173319 1332482145 /nfs/dbraw/zinc/48/21/45/1332482145.db2.gz QRRVERHOMRWSAO-LJQANCHMSA-N 2 0 329.488 2.009 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001318779266 1332594498 /nfs/dbraw/zinc/59/44/98/1332594498.db2.gz GTUGBZWVRWZAIH-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)no1 ZINC001318804811 1332600955 /nfs/dbraw/zinc/60/09/55/1332600955.db2.gz KUOOJUBVZMHFTG-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001318819112 1332603975 /nfs/dbraw/zinc/60/39/75/1332603975.db2.gz COGUUGPSAFEZMZ-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001319385291 1332692883 /nfs/dbraw/zinc/69/28/83/1332692883.db2.gz KXBJNNCHYQFGSD-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C\C[NH2+]Cc1ccccn1 ZINC001321082847 1333014247 /nfs/dbraw/zinc/01/42/47/1333014247.db2.gz LJEQPIDZHACCBL-WAYWQWQTSA-N 2 0 344.484 2.281 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1cncc(F)c1)[NH+]1CCCC1 ZINC001321422107 1333100942 /nfs/dbraw/zinc/10/09/42/1333100942.db2.gz YVCVUUJRYOJQPQ-OAJJDEHYSA-N 2 0 348.466 2.103 10 0 EEAERP C[C@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001322194563 1333225575 /nfs/dbraw/zinc/22/55/75/1333225575.db2.gz UKWQXUACFCFECK-MJGOQNOKSA-N 2 0 347.503 2.376 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001322852228 1333341436 /nfs/dbraw/zinc/34/14/36/1333341436.db2.gz KNOIVBMZQWGHLR-GOSISDBHSA-N 2 0 344.459 2.224 10 0 EEAERP CCCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325055553 1333820736 /nfs/dbraw/zinc/82/07/36/1333820736.db2.gz UMCYCUOXVMIAKA-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCOCC(C)C)[NH+](C)C ZINC001325923584 1333996809 /nfs/dbraw/zinc/99/68/09/1333996809.db2.gz VTOHHPZXHQLTID-KZNAEPCWSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001326520583 1334108771 /nfs/dbraw/zinc/10/87/71/1334108771.db2.gz BOWYHVZHIWLKGJ-LAQRGFTBSA-N 2 0 339.499 2.341 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326989750 1334197894 /nfs/dbraw/zinc/19/78/94/1334197894.db2.gz VUBOJVFEOCKRDR-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001328282072 1334436591 /nfs/dbraw/zinc/43/65/91/1334436591.db2.gz XQVZUJBOZOIQAJ-IAGOWNOFSA-N 2 0 337.508 2.033 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(F)cc1 ZINC001328713357 1334505206 /nfs/dbraw/zinc/50/52/06/1334505206.db2.gz GYTHKXWLASMNOB-OKZBNKHCSA-N 2 0 348.466 2.402 10 0 EEAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330444914 1334845607 /nfs/dbraw/zinc/84/56/07/1334845607.db2.gz IYBRWEXPXDTYJJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001330978512 1334939849 /nfs/dbraw/zinc/93/98/49/1334939849.db2.gz ZXWLFRTZJPQFEX-WBVHZDCISA-N 2 0 333.476 2.021 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332030059 1335709604 /nfs/dbraw/zinc/70/96/04/1335709604.db2.gz SGBVMUBWYWUBSP-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCCc2ccsc2)C(C)(C)C1 ZINC001332413511 1335819986 /nfs/dbraw/zinc/81/99/86/1335819986.db2.gz OLYVSILNTAGOJE-MRXNPFEDSA-N 2 0 337.533 2.459 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668652086 1355980140 /nfs/dbraw/zinc/98/01/40/1355980140.db2.gz HMDCUAKJIAKPRR-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001669909059 1356237787 /nfs/dbraw/zinc/23/77/87/1356237787.db2.gz CLAAGOCQYVEPRO-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1C[C@@H]1CCC(F)(F)C1 ZINC001436332904 1342037039 /nfs/dbraw/zinc/03/70/39/1342037039.db2.gz KVMZGDLKEFPZEW-CABCVRRESA-N 2 0 331.451 2.295 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001436377116 1342059555 /nfs/dbraw/zinc/05/95/55/1342059555.db2.gz DHRVODAFNGLHCL-RBSFLKMASA-N 2 0 343.462 2.391 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)cc1 ZINC001500378772 1342182870 /nfs/dbraw/zinc/18/28/70/1342182870.db2.gz WYCAWTZYZVJWIE-IBGZPJMESA-N 2 0 335.467 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC001502548291 1342209201 /nfs/dbraw/zinc/20/92/01/1342209201.db2.gz QKTDZMGASRPPBU-FQEVSTJZSA-N 2 0 344.503 2.238 10 0 EEAERP CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001502848243 1342233563 /nfs/dbraw/zinc/23/35/63/1342233563.db2.gz KTEWVINPOLULSI-UHFFFAOYSA-N 2 0 341.499 2.252 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001566956103 1342660344 /nfs/dbraw/zinc/66/03/44/1342660344.db2.gz SRWATASVPKYCTN-ZWKOTPCHSA-N 2 0 348.491 2.143 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001567048323 1342685991 /nfs/dbraw/zinc/68/59/91/1342685991.db2.gz TXKLAJDMUILQAG-RDBSUJKOSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001567496867 1342769873 /nfs/dbraw/zinc/76/98/73/1342769873.db2.gz ADHYFIWRNBUQGR-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001569983872 1342988074 /nfs/dbraw/zinc/98/80/74/1342988074.db2.gz KXUGQAOAVSARIR-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001569998028 1342993692 /nfs/dbraw/zinc/99/36/92/1342993692.db2.gz GLEUYTSUXWKZPX-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001570008582 1342997855 /nfs/dbraw/zinc/99/78/55/1342997855.db2.gz OGPVKXSOIDBING-SFHVURJKSA-N 2 0 344.503 2.142 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]CCCc2ccsc2)C1 ZINC001570581102 1343088763 /nfs/dbraw/zinc/08/87/63/1343088763.db2.gz HMZLMLBEHICUMI-UHFFFAOYSA-N 2 0 335.517 2.261 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccnc(Cl)c1)C(=O)CC[NH+](C)C ZINC001570682807 1343101809 /nfs/dbraw/zinc/10/18/09/1343101809.db2.gz DSRCJLAGXPLXJI-UHFFFAOYSA-N 2 0 340.899 2.261 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)CC1(C)C ZINC001570902479 1343136964 /nfs/dbraw/zinc/13/69/64/1343136964.db2.gz SXFGXUVLGSMDJK-GOSISDBHSA-N 2 0 347.503 2.234 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001571168973 1343165704 /nfs/dbraw/zinc/16/57/04/1343165704.db2.gz WQESPQCDRMUKGC-QAETUUGQSA-N 2 0 327.488 2.482 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001676481041 1357155888 /nfs/dbraw/zinc/15/58/88/1357155888.db2.gz OIAFJVYYOXGKOY-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001676755573 1357193801 /nfs/dbraw/zinc/19/38/01/1357193801.db2.gz LUUBIMBOFJYCAM-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001677573759 1357359271 /nfs/dbraw/zinc/35/92/71/1357359271.db2.gz ADPQKGRKWWLBSD-RBUKOAKNSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001677632782 1357378872 /nfs/dbraw/zinc/37/88/72/1357378872.db2.gz WEDOBLKUXLEZPD-UHFFFAOYSA-N 2 0 348.516 2.104 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CO)c2cc(F)ccc2F)CC1 ZINC001648617798 1353435931 /nfs/dbraw/zinc/43/59/31/1353435931.db2.gz WQIODSIPHRUODN-SFHVURJKSA-N 2 0 341.446 2.004 10 0 EEAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001649857139 1353628480 /nfs/dbraw/zinc/62/84/80/1353628480.db2.gz XHIDPOFHYGQELH-ROUUACIJSA-N 2 0 331.460 2.099 10 0 EEAERP CC1CC[NH+](CCCNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001654147688 1354141589 /nfs/dbraw/zinc/14/15/89/1354141589.db2.gz OMAZFPLFMIGGBE-KRWDZBQOSA-N 2 0 330.476 2.146 10 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ZINC001661921659 1354723013 /nfs/dbraw/zinc/72/30/13/1354723013.db2.gz HWELSSLQUVPSNI-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCOc1ccccc1 ZINC001662349916 1354784353 /nfs/dbraw/zinc/78/43/53/1354784353.db2.gz GGULJNHLTUOJFE-ROUUACIJSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1c(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)ccc2c[nH+]cn21 ZINC001662650274 1354819923 /nfs/dbraw/zinc/81/99/23/1354819923.db2.gz OWDODJFUDKORNK-OKEUPSHZSA-N 2 0 332.835 2.447 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001662713271 1354830565 /nfs/dbraw/zinc/83/05/65/1354830565.db2.gz YZYMSWRSGOOJHE-TZMCWYRMSA-N 2 0 336.307 2.330 10 0 EEAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001662838570 1354859308 /nfs/dbraw/zinc/85/93/08/1354859308.db2.gz FEAHDYDDQTXWLV-KRWDZBQOSA-N 2 0 349.523 2.171 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001664009451 1355072665 /nfs/dbraw/zinc/07/26/65/1355072665.db2.gz YGWBVYGKZFVGRF-FUHWJXTLSA-N 2 0 333.451 2.391 10 0 EEAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001664282092 1355129516 /nfs/dbraw/zinc/12/95/16/1355129516.db2.gz LWAQEUFTQLJDCV-UHFFFAOYSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ccc(OCC[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001664391357 1355153296 /nfs/dbraw/zinc/15/32/96/1355153296.db2.gz JAYFUKWGYAAVJY-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CCc1nc(CNCCN(C)C(=O)[C@H]2CCCC[N@H+]2CC)cs1 ZINC001664395348 1355153944 /nfs/dbraw/zinc/15/39/44/1355153944.db2.gz PNXBJQCBYIZDFN-OAHLLOKOSA-N 2 0 338.521 2.128 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001665008978 1355264183 /nfs/dbraw/zinc/26/41/83/1355264183.db2.gz PIGZHKRMFDAARK-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1)C1CCC1 ZINC001666115158 1355455456 /nfs/dbraw/zinc/45/54/56/1355455456.db2.gz JJLQTRNFSWDHIF-QGZVFWFLSA-N 2 0 344.503 2.284 10 0 EEAERP O=C(CCc1c[nH]cn1)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001666214377 1355485949 /nfs/dbraw/zinc/48/59/49/1355485949.db2.gz ISRREBWYYVPRPI-UHFFFAOYSA-N 2 0 347.488 2.217 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001666223305 1355488641 /nfs/dbraw/zinc/48/86/41/1355488641.db2.gz HNBAEORQUCJPPM-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1oncc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001666223243 1355488727 /nfs/dbraw/zinc/48/87/27/1355488727.db2.gz FMKGVFRUSSMVEE-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001666476041 1355530579 /nfs/dbraw/zinc/53/05/79/1355530579.db2.gz CFTXFOPTZFBIQI-CHWSQXEVSA-N 2 0 334.291 2.228 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001667138883 1355655434 /nfs/dbraw/zinc/65/54/34/1355655434.db2.gz CRIFYRCOWGDXCP-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCF ZINC001667494174 1355750147 /nfs/dbraw/zinc/75/01/47/1355750147.db2.gz SSMMILWQWOZUHL-YOEHRIQHSA-N 2 0 333.467 2.289 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001668059901 1355859056 /nfs/dbraw/zinc/85/90/56/1355859056.db2.gz KXGDDXKKDWDMFD-UKRRQHHQSA-N 2 0 331.451 2.389 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001668097426 1355869906 /nfs/dbraw/zinc/86/99/06/1355869906.db2.gz VIHKDLTUVNUWFN-IAGOWNOFSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001668235192 1355906275 /nfs/dbraw/zinc/90/62/75/1355906275.db2.gz ZWEGWKNPPJUZGW-NVXWUHKLSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668310037 1355921018 /nfs/dbraw/zinc/92/10/18/1355921018.db2.gz PQZPXTRERIHFJB-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001668318666 1355922729 /nfs/dbraw/zinc/92/27/29/1355922729.db2.gz AXFOXGPCKFOBRK-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1scnc1C ZINC001668854142 1356023645 /nfs/dbraw/zinc/02/36/45/1356023645.db2.gz PDKBYLLRZOJRRY-XVWMLYKFSA-N 2 0 336.505 2.088 10 0 EEAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001668929403 1356047258 /nfs/dbraw/zinc/04/72/58/1356047258.db2.gz GVILASYBZQOEIM-RGDDUWESSA-N 2 0 327.432 2.189 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001669001748 1356065487 /nfs/dbraw/zinc/06/54/87/1356065487.db2.gz SQZUZPPQWUAKJW-ONEGZZNKSA-N 2 0 341.499 2.279 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cn1)[NH+]1CCCC1 ZINC001669208797 1356127264 /nfs/dbraw/zinc/12/72/64/1356127264.db2.gz VZWOQZCWOUCLOE-OAJJDEHYSA-N 2 0 348.466 2.103 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)C1([NH+](C)C)CCC1 ZINC001669313545 1356144049 /nfs/dbraw/zinc/14/40/49/1356144049.db2.gz ZDXDLQUEZCURPH-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669328577 1356145548 /nfs/dbraw/zinc/14/55/48/1356145548.db2.gz IKZJHEBHBZIGIE-CRAIPNDOSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001669388027 1356153341 /nfs/dbraw/zinc/15/33/41/1356153341.db2.gz FVUXTXLGKCVYCB-DGCLKSJQSA-N 2 0 336.307 2.006 10 0 EEAERP CN1CCO[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001671720878 1356401986 /nfs/dbraw/zinc/40/19/86/1356401986.db2.gz UVRVATMQUUNXRB-QUCCMNQESA-N 2 0 349.519 2.036 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001672320330 1356500430 /nfs/dbraw/zinc/50/04/30/1356500430.db2.gz HIVNYPPKBRPWIU-NEBFAKBJSA-N 2 0 327.900 2.155 10 0 EEAERP C[NH+]1CCC(C(=O)N(CC[NH2+]CCCF)Cc2ccccc2)CC1 ZINC001672396478 1356515094 /nfs/dbraw/zinc/51/50/94/1356515094.db2.gz KXORSQQDVHDWIW-UHFFFAOYSA-N 2 0 335.467 2.306 10 0 EEAERP CCOCC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001673450812 1356692890 /nfs/dbraw/zinc/69/28/90/1356692890.db2.gz YLTKCIVRTFZTLW-UHFFFAOYSA-N 2 0 332.448 2.073 10 0 EEAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001675620975 1357017478 /nfs/dbraw/zinc/01/74/78/1357017478.db2.gz HNTVGTUEFPSJOH-VGRIIWOTSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698747588 1405042312 /nfs/dbraw/zinc/04/23/12/1405042312.db2.gz DPMYQMNSKKRFSL-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699262603 1405305634 /nfs/dbraw/zinc/30/56/34/1405305634.db2.gz UMLSJVXNLCXYTM-AATRIKPKSA-N 2 0 344.503 2.417 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001699296143 1405327911 /nfs/dbraw/zinc/32/79/11/1405327911.db2.gz LCINQARBCYXEEC-SNAWJCMRSA-N 2 0 333.451 2.238 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699366705 1405341536 /nfs/dbraw/zinc/34/15/36/1405341536.db2.gz SKNBNWYGHORCPX-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ccc(OCCC[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001699391556 1405347027 /nfs/dbraw/zinc/34/70/27/1405347027.db2.gz WZPHLZJOXCYUKY-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001699577493 1405402517 /nfs/dbraw/zinc/40/25/17/1405402517.db2.gz UBLMCSOTJCAUJX-GOEBONIOSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)C[C@@H]3COCCN3)C2=O)c(C)c1 ZINC000817923324 785076424 /nfs/dbraw/zinc/07/64/24/785076424.db2.gz IHTUALZDRFYGJY-KURKYZTESA-N 2 0 345.487 2.074 10 0 EEAERP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000819273283 785503497 /nfs/dbraw/zinc/50/34/97/785503497.db2.gz CRZOETPMZRPIFO-APWZRJJASA-N 2 0 329.419 2.366 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923310414 789368446 /nfs/dbraw/zinc/36/84/46/789368446.db2.gz VFVHOYYHQRPBOI-LJQANCHMSA-N 2 0 330.472 2.089 10 0 EEAERP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385560 789480252 /nfs/dbraw/zinc/48/02/52/789480252.db2.gz ALHFQTOLYXAVDS-SJLPKXTDSA-N 2 0 336.451 2.277 10 0 EEAERP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385595 789480344 /nfs/dbraw/zinc/48/03/44/789480344.db2.gz BBPKZINPBMXKMN-MOPGFXCFSA-N 2 0 332.488 2.446 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923401916 789503560 /nfs/dbraw/zinc/50/35/60/789503560.db2.gz AIEOLYSTISSWPM-GOEBONIOSA-N 2 0 346.393 2.336 10 0 EEAERP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923479481 789640530 /nfs/dbraw/zinc/64/05/30/789640530.db2.gz PRCFGHTUEKXRMS-RYUDHWBXSA-N 2 0 333.259 2.404 10 0 EEAERP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923497247 789670963 /nfs/dbraw/zinc/67/09/63/789670963.db2.gz AWJIRJYOYAJYKT-DOTOQJQBSA-N 2 0 345.487 2.103 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000913881081 794468186 /nfs/dbraw/zinc/46/81/86/794468186.db2.gz LMUNLIWWVOUHMW-GOSISDBHSA-N 2 0 347.507 2.246 10 0 EEAERP O[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000716654111 796404860 /nfs/dbraw/zinc/40/48/60/796404860.db2.gz FEMNIAWCXIIWKK-RDGPPVDQSA-N 2 0 332.513 2.497 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677340 796405620 /nfs/dbraw/zinc/40/56/20/796405620.db2.gz DVUSJFNUKQSYSD-BZSNNMDCSA-N 2 0 329.488 2.401 10 0 EEAERP C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000823708494 798759543 /nfs/dbraw/zinc/75/95/43/798759543.db2.gz ATQFMQWZUDMKSZ-SNVBAGLBSA-N 2 0 330.375 2.319 10 0 EEAERP FC(F)(F)[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)O1 ZINC000929285184 800044279 /nfs/dbraw/zinc/04/42/79/800044279.db2.gz YJWBPWCUPSGGFS-GJZGRUSLSA-N 2 0 336.398 2.141 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC[C@@H]1CCCC1(F)F ZINC001566439647 1125602571 /nfs/dbraw/zinc/60/25/71/1125602571.db2.gz FBLAIQFSFWVXIY-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1cnccn1 ZINC001566562699 1125736465 /nfs/dbraw/zinc/73/64/65/1125736465.db2.gz JSVOMAHVTVAZHO-BBWFWOEESA-N 2 0 347.507 2.096 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)OC)CC(C)(C)C1 ZINC001436502051 1088029680 /nfs/dbraw/zinc/02/96/80/1088029680.db2.gz VVQXEKOKQBJDJV-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(F)cn1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436666213 1088101172 /nfs/dbraw/zinc/10/11/72/1088101172.db2.gz LHMKLGZQYCNQMG-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC[NH+](C[C@@H](OC)C2CCC2)CC1)[NH+](C)C ZINC001436670420 1088109683 /nfs/dbraw/zinc/10/96/83/1088109683.db2.gz WUDWZUMFCGIIET-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ccc(CC[N@H+]2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001437001356 1088756952 /nfs/dbraw/zinc/75/69/52/1088756952.db2.gz KEWGCSLRBDONLN-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437264879 1089410215 /nfs/dbraw/zinc/41/02/15/1089410215.db2.gz XLNRVDBXKSFFAE-DOTOQJQBSA-N 2 0 333.476 2.020 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437325998 1089494276 /nfs/dbraw/zinc/49/42/76/1089494276.db2.gz SFHUKZPXTQJFCO-QZTJIDSGSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001437422139 1089706744 /nfs/dbraw/zinc/70/67/44/1089706744.db2.gz MAWBSJKOIRDAHE-HUUCEWRRSA-N 2 0 344.459 2.469 10 0 EEAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC001437621213 1090133634 /nfs/dbraw/zinc/13/36/34/1090133634.db2.gz OYVNRKIXGGVMIQ-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1cccnc1C ZINC001437640278 1090158825 /nfs/dbraw/zinc/15/88/25/1090158825.db2.gz AYTXCWNJWWIHJI-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@@H](C)c1cnc(C)cn1 ZINC001437647341 1090167950 /nfs/dbraw/zinc/16/79/50/1090167950.db2.gz ATAAXENCIKUEPM-WMZOPIPTSA-N 2 0 347.507 2.159 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001437659597 1090188329 /nfs/dbraw/zinc/18/83/29/1090188329.db2.gz MJRBTZUSCBUHSQ-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](F)CC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001438005031 1090603657 /nfs/dbraw/zinc/60/36/57/1090603657.db2.gz QAOSIEHMRROJQC-HNNXBMFYSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001438335992 1090812268 /nfs/dbraw/zinc/81/22/68/1090812268.db2.gz DXIZAYMMJLHAQA-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1conc1C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001438415537 1090908314 /nfs/dbraw/zinc/90/83/14/1090908314.db2.gz QVHUURZWNWXMNQ-MJGOQNOKSA-N 2 0 348.491 2.230 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1 ZINC001438444802 1090948617 /nfs/dbraw/zinc/94/86/17/1090948617.db2.gz KYNUCPLGYOEJEB-SHTZXODSSA-N 2 0 331.451 2.389 10 0 EEAERP Cc1cccnc1C[NH+]1CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001438451821 1090958501 /nfs/dbraw/zinc/95/85/01/1090958501.db2.gz KFDZLSABKPCPJB-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001438537587 1091029424 /nfs/dbraw/zinc/02/94/24/1091029424.db2.gz CGKOKDPJZHHZEC-KBXCAEBGSA-N 2 0 330.476 2.350 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637872 1091119729 /nfs/dbraw/zinc/11/97/29/1091119729.db2.gz PLWQAVVMHUINTQ-YOEHRIQHSA-N 2 0 329.444 2.464 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445385735 1091129669 /nfs/dbraw/zinc/12/96/69/1091129669.db2.gz LKWKFYSHLNYIFY-QAPCUYQASA-N 2 0 349.523 2.241 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001445460635 1091228815 /nfs/dbraw/zinc/22/88/15/1091228815.db2.gz XWEMWOSZOYEVNK-CABCVRRESA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)s1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445476378 1091252559 /nfs/dbraw/zinc/25/25/59/1091252559.db2.gz QPYUIHKRVQEWGH-NEPJUHHUSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001445501270 1091279919 /nfs/dbraw/zinc/27/99/19/1091279919.db2.gz KTBIGHXNOQIGLA-AEFFLSMTSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ncoc1C[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001438772063 1091357743 /nfs/dbraw/zinc/35/77/43/1091357743.db2.gz DGOAXAIXBCEXFC-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)C)o1 ZINC001438797830 1091402799 /nfs/dbraw/zinc/40/27/99/1091402799.db2.gz AVKYMITVRDCEKL-IRXDYDNUSA-N 2 0 336.480 2.086 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001438829831 1091447644 /nfs/dbraw/zinc/44/76/44/1091447644.db2.gz QHEQYBXLZBOIDW-MAUKXSAKSA-N 2 0 335.467 2.398 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438856734 1091492461 /nfs/dbraw/zinc/49/24/61/1091492461.db2.gz SYXMSMSOBXZPGO-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1coc(C2CC2)n1 ZINC001438963017 1091655904 /nfs/dbraw/zinc/65/59/04/1091655904.db2.gz NPGQUZBQRXUHIN-NVXWUHKLSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001439051018 1091697660 /nfs/dbraw/zinc/69/76/60/1091697660.db2.gz ASKWLZBRYPVJID-QWHCGFSZSA-N 2 0 327.419 2.462 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001445863177 1091781321 /nfs/dbraw/zinc/78/13/21/1091781321.db2.gz AIBFBVGHMPELAE-QGZVFWFLSA-N 2 0 331.504 2.324 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c1C ZINC001439221486 1091866563 /nfs/dbraw/zinc/86/65/63/1091866563.db2.gz DBNHAVZPTPWVHI-YJBOKZPZSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C12CCC[NH+]1CCC2 ZINC001439227608 1091872347 /nfs/dbraw/zinc/87/23/47/1091872347.db2.gz ITEHMFRDNLWLSZ-MAUKXSAKSA-N 2 0 327.472 2.397 10 0 EEAERP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1cc(F)ccc1F ZINC001445966836 1091920668 /nfs/dbraw/zinc/92/06/68/1091920668.db2.gz JZIQFOULMSGCIZ-SJCJKPOMSA-N 2 0 339.430 2.462 10 0 EEAERP COc1cccc(Cl)c1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001439284905 1091945481 /nfs/dbraw/zinc/94/54/81/1091945481.db2.gz MJSDECZWCDNMHA-ZDUSSCGKSA-N 2 0 341.883 2.283 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001446150696 1092195804 /nfs/dbraw/zinc/19/58/04/1092195804.db2.gz CUXSXELUCPVODQ-IRXDYDNUSA-N 2 0 331.435 2.146 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1C)C1CC1)[NH+](C)C ZINC001439486110 1092296330 /nfs/dbraw/zinc/29/63/30/1092296330.db2.gz RCSWOQBFGJUARG-QZTJIDSGSA-N 2 0 335.467 2.459 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001439487455 1092300677 /nfs/dbraw/zinc/30/06/77/1092300677.db2.gz IFWMCACLMRLBRB-ICSRJNTNSA-N 2 0 327.472 2.157 10 0 EEAERP O=C(NCC1([NH2+]Cc2cc3ccccc3o2)CC1)C12CC[NH+](CC1)C2 ZINC001446264199 1092405126 /nfs/dbraw/zinc/40/51/26/1092405126.db2.gz DMNGMSYQLWXERZ-UHFFFAOYSA-N 2 0 339.439 2.267 10 0 EEAERP Cc1cc(C)cc(C[NH+]2CC[C@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001439566371 1092447706 /nfs/dbraw/zinc/44/77/06/1092447706.db2.gz BIYAKTCFQBWIKW-HKUYNNGSSA-N 2 0 329.488 2.336 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC001439570776 1092459143 /nfs/dbraw/zinc/45/91/43/1092459143.db2.gz NDEHVCRRLXFBFB-GOSISDBHSA-N 2 0 327.472 2.350 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC001439639516 1092562261 /nfs/dbraw/zinc/56/22/61/1092562261.db2.gz DVFJKDIRYRLIMJ-UHFFFAOYSA-N 2 0 343.393 2.396 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccns2)CC1)[NH+]1CCCC1 ZINC001439676532 1092617579 /nfs/dbraw/zinc/61/75/79/1092617579.db2.gz MUCSUVKTOURSFG-HNNXBMFYSA-N 2 0 336.505 2.002 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001439689510 1092635462 /nfs/dbraw/zinc/63/54/62/1092635462.db2.gz XHHFYJXGLXILQY-OAGGEKHMSA-N 2 0 325.472 2.142 10 0 EEAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001439851462 1092868892 /nfs/dbraw/zinc/86/88/92/1092868892.db2.gz NLHZJFZWKNZYHT-IEBWSBKVSA-N 2 0 332.492 2.283 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1conc1C ZINC001440133142 1093198709 /nfs/dbraw/zinc/19/87/09/1093198709.db2.gz YJQBBENLUHVONI-VBUUOAMHSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CCc2cccs2)CC1(C)C ZINC001448398832 1093400881 /nfs/dbraw/zinc/40/08/81/1093400881.db2.gz QOMLEPDKCMFBDS-INIZCTEOSA-N 2 0 337.533 2.457 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001440313635 1093447043 /nfs/dbraw/zinc/44/70/43/1093447043.db2.gz QMRHFRYISWRKJW-GASCZTMLSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)CCC[NH+]3CCCC3)C2)c(C)o1 ZINC001440317626 1093452326 /nfs/dbraw/zinc/45/23/26/1093452326.db2.gz IRWYZDRCRUZQJF-CALCHBBNSA-N 2 0 348.491 2.152 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001440355719 1093510166 /nfs/dbraw/zinc/51/01/66/1093510166.db2.gz LNXQVIMCMPOWRL-BQFCYCMXSA-N 2 0 333.520 2.393 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccccc3F)CCC2)C1 ZINC001440363116 1093527082 /nfs/dbraw/zinc/52/70/82/1093527082.db2.gz ZTKNVUQBYMNPSX-OAHLLOKOSA-N 2 0 333.451 2.296 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C)c(C)s2)C1 ZINC001448517573 1093545908 /nfs/dbraw/zinc/54/59/08/1093545908.db2.gz RSHYPGVNOMIFPQ-SHTZXODSSA-N 2 0 338.521 2.086 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC001440423049 1093619454 /nfs/dbraw/zinc/61/94/54/1093619454.db2.gz WEKSUISMHJAPDP-GJZGRUSLSA-N 2 0 349.441 2.353 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001440475502 1093703402 /nfs/dbraw/zinc/70/34/02/1093703402.db2.gz SKHRCJDUCLDWCX-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440672406 1093935994 /nfs/dbraw/zinc/93/59/94/1093935994.db2.gz LVWIPVLZTHZHSS-JKSUJKDBSA-N 2 0 335.467 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCC(F)(F)F)CC2 ZINC001449020100 1094025322 /nfs/dbraw/zinc/02/53/22/1094025322.db2.gz TVCXMVAJFPXDEX-HIFRSBDPSA-N 2 0 335.414 2.394 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001449022048 1094027592 /nfs/dbraw/zinc/02/75/92/1094027592.db2.gz ZRJCLVMLCXWUEJ-RDJZCZTQSA-N 2 0 343.462 2.487 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440818546 1094072010 /nfs/dbraw/zinc/07/20/10/1094072010.db2.gz IHAULMBXCHBFTO-HOTGVXAUSA-N 2 0 332.492 2.247 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)s1 ZINC001440838692 1094091862 /nfs/dbraw/zinc/09/18/62/1094091862.db2.gz OFCMJBVADCDNAT-VXGBXAGGSA-N 2 0 338.521 2.085 10 0 EEAERP CC[NH2+][C@H](CCN(C)C(=O)[C@H]1COCCN1C1CCCC1)C(C)C ZINC001441083644 1094377843 /nfs/dbraw/zinc/37/78/43/1094377843.db2.gz REBYHQHNJSRJKY-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](O)C[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001441109502 1094421635 /nfs/dbraw/zinc/42/16/35/1094421635.db2.gz QJKKRSMGSSSFDF-INIZCTEOSA-N 2 0 347.503 2.151 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCCc2ccccc2)C1 ZINC001441205932 1094568249 /nfs/dbraw/zinc/56/82/49/1094568249.db2.gz JZIWWSXHTFABKY-QGZVFWFLSA-N 2 0 331.504 2.396 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001441227174 1094602233 /nfs/dbraw/zinc/60/22/33/1094602233.db2.gz QIFYQBLVFOJKQB-AAEUAGOBSA-N 2 0 334.291 2.132 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ncccc2C)CC1(C)C ZINC001441257444 1094655948 /nfs/dbraw/zinc/65/59/48/1094655948.db2.gz HLYJJJDNRSYHPQ-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001441383227 1094925223 /nfs/dbraw/zinc/92/52/23/1094925223.db2.gz YFKQYIUSPHNCIQ-HAQNSBGRSA-N 2 0 344.912 2.123 10 0 EEAERP CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@H]2CCOC2)CC1)[NH+](CC)CC ZINC001441389848 1094947371 /nfs/dbraw/zinc/94/73/71/1094947371.db2.gz VFQMYNLZFDFXBU-AEFFLSMTSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001441523756 1095224849 /nfs/dbraw/zinc/22/48/49/1095224849.db2.gz LOCYAXHIQNLESF-SOUVJXGZSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001441544277 1095265042 /nfs/dbraw/zinc/26/50/42/1095265042.db2.gz HKLYCRBQRYVNNQ-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001441606936 1095462464 /nfs/dbraw/zinc/46/24/64/1095462464.db2.gz YGMAULQEYCSKPN-ZDUSSCGKSA-N 2 0 326.510 2.058 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001441629187 1095511780 /nfs/dbraw/zinc/51/17/80/1095511780.db2.gz SMUJENBFVQDCBS-PBHICJAKSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC001441662074 1095629657 /nfs/dbraw/zinc/62/96/57/1095629657.db2.gz VYXAWIRNEPCGBY-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001441899429 1096053642 /nfs/dbraw/zinc/05/36/42/1096053642.db2.gz MVLDXCZWRIEJDC-GJZGRUSLSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001441949295 1096150843 /nfs/dbraw/zinc/15/08/43/1096150843.db2.gz KZMUHZAXZZAUBK-CYBMUJFWSA-N 2 0 326.510 2.024 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]Cc1ccsc1 ZINC001442008244 1096211933 /nfs/dbraw/zinc/21/19/33/1096211933.db2.gz DNKNULNRSVMVQI-AWEZNQCLSA-N 2 0 335.517 2.464 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC001442186773 1096456361 /nfs/dbraw/zinc/45/63/61/1096456361.db2.gz HUPROTWCWOROHC-NEPJUHHUSA-N 2 0 344.912 2.265 10 0 EEAERP CC[C@H](C(=O)NC1(C2CC[NH+](Cc3cnoc3C)CC2)CC1)[NH+](C)C ZINC001442264565 1096568258 /nfs/dbraw/zinc/56/82/58/1096568258.db2.gz ATKNDLHWVDHNEN-QGZVFWFLSA-N 2 0 348.491 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001442293837 1096610225 /nfs/dbraw/zinc/61/02/25/1096610225.db2.gz MYINKBFWRZMQNT-MSOLQXFVSA-N 2 0 346.519 2.496 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001442911919 1097318954 /nfs/dbraw/zinc/31/89/54/1097318954.db2.gz WCFDJQPFHUIZEU-LPHOPBHVSA-N 2 0 329.488 2.452 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001444309307 1098865683 /nfs/dbraw/zinc/86/56/83/1098865683.db2.gz MHEPPVFKLPTPHK-JFIYKMOQSA-N 2 0 346.519 2.387 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1c(F)cccc1F ZINC001444322923 1098884239 /nfs/dbraw/zinc/88/42/39/1098884239.db2.gz KKEBSTMNCJZOSR-CXAGYDPISA-N 2 0 339.430 2.291 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(F)ccc1F ZINC001479777939 1098958570 /nfs/dbraw/zinc/95/85/70/1098958570.db2.gz HQPLRISCUNHWLC-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001444394677 1098989774 /nfs/dbraw/zinc/98/97/74/1098989774.db2.gz ZMUFULBTEMDINN-CHWSQXEVSA-N 2 0 327.419 2.319 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cncs1 ZINC001479833491 1099115828 /nfs/dbraw/zinc/11/58/28/1099115828.db2.gz JTCCMBDPULUXLK-ZBFHGGJFSA-N 2 0 338.521 2.344 10 0 EEAERP CC[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001479860719 1099171861 /nfs/dbraw/zinc/17/18/61/1099171861.db2.gz QXEWUQOPFAWQSI-ABMFHFBKSA-N 2 0 329.488 2.480 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1cccnc1)C1CC1 ZINC001479881315 1099251101 /nfs/dbraw/zinc/25/11/01/1099251101.db2.gz ZRPAUGGYPGJWBC-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001444531335 1099298555 /nfs/dbraw/zinc/29/85/55/1099298555.db2.gz BBCVTRYUDYKFTC-UHFFFAOYSA-N 2 0 332.492 2.249 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)[NH+]1CCCC1 ZINC001479986963 1099446741 /nfs/dbraw/zinc/44/67/41/1099446741.db2.gz BESFRXFOIAHXPR-QZTJIDSGSA-N 2 0 333.520 2.488 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cs1 ZINC001480058477 1099578395 /nfs/dbraw/zinc/57/83/95/1099578395.db2.gz DQIKCCFWJRNTFW-RHSMWYFYSA-N 2 0 335.517 2.383 10 0 EEAERP O=C(NC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001480060090 1099585617 /nfs/dbraw/zinc/58/56/17/1099585617.db2.gz KKFJWDJIAGQEAW-QGZVFWFLSA-N 2 0 347.890 2.420 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480131375 1099695388 /nfs/dbraw/zinc/69/53/88/1099695388.db2.gz IQYAEOUGWUAIBH-FHWLQOOXSA-N 2 0 329.488 2.259 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CCCCC2)o1 ZINC001444796155 1099712722 /nfs/dbraw/zinc/71/27/22/1099712722.db2.gz WAINLAKARYLJNV-AEFFLSMTSA-N 2 0 348.491 2.089 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC[C@H]1CCCCO1 ZINC001480331832 1100089256 /nfs/dbraw/zinc/08/92/56/1100089256.db2.gz NONNHENSANUJJF-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc(C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001445015706 1100168113 /nfs/dbraw/zinc/16/81/13/1100168113.db2.gz BQSFTPGUVZVNRA-UHFFFAOYSA-N 2 0 347.503 2.460 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]21 ZINC001480394297 1100202426 /nfs/dbraw/zinc/20/24/26/1100202426.db2.gz DPHAKWHFZQCIKF-DECVUUORSA-N 2 0 327.472 2.088 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC001480410354 1100227254 /nfs/dbraw/zinc/22/72/54/1100227254.db2.gz GKAKDEMCVBLXJC-UHFFFAOYSA-N 2 0 336.480 2.232 10 0 EEAERP O=C(NC1CCC([NH2+]C/C=C\Cl)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001480411161 1100228389 /nfs/dbraw/zinc/22/83/89/1100228389.db2.gz DSUOTFDKOQWLKY-DDIAJJFPSA-N 2 0 325.884 2.242 10 0 EEAERP C[C@H](O)CCC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001480411361 1100228548 /nfs/dbraw/zinc/22/85/48/1100228548.db2.gz LTUUEWFRNHEOQB-AOCRQIFASA-N 2 0 339.524 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001480411103 1100228788 /nfs/dbraw/zinc/22/87/88/1100228788.db2.gz GZBSUTHIKQXHNY-UHFFFAOYSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]Cc1ccccn1 ZINC001480461975 1100266779 /nfs/dbraw/zinc/26/67/79/1100266779.db2.gz QANQHCNRFFZFMK-IAGOWNOFSA-N 2 0 344.503 2.331 10 0 EEAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001480480278 1100288741 /nfs/dbraw/zinc/28/87/41/1100288741.db2.gz QJDIOCMACWIEDA-ZFWWWQNUSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001480537887 1100366660 /nfs/dbraw/zinc/36/66/60/1100366660.db2.gz RAPGBWAJEMBHAW-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001445317044 1100551935 /nfs/dbraw/zinc/55/19/35/1100551935.db2.gz OHIAHCMPZKCQOK-ZBFHGGJFSA-N 2 0 349.523 2.308 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001496290618 1100875115 /nfs/dbraw/zinc/87/51/15/1100875115.db2.gz YNQYMEGLPZLCAL-VQIMIIECSA-N 2 0 346.519 2.352 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001496411986 1101004333 /nfs/dbraw/zinc/00/43/33/1101004333.db2.gz QPFZAJMIWQOAIR-SJORKVTESA-N 2 0 336.480 2.184 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]Cc1cscn1 ZINC001496427371 1101018408 /nfs/dbraw/zinc/01/84/08/1101018408.db2.gz KITSSSSPBUFTNK-INIZCTEOSA-N 2 0 336.505 2.100 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC001446575899 1101062804 /nfs/dbraw/zinc/06/28/04/1101062804.db2.gz MISIGICTNFIICE-MJGOQNOKSA-N 2 0 349.523 2.132 10 0 EEAERP C[C@@]1(C[NH2+]CC2CC3(CCC3)C2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001446599657 1101094403 /nfs/dbraw/zinc/09/44/03/1101094403.db2.gz DCYSEQJIWQEMSQ-IBGZPJMESA-N 2 0 333.520 2.491 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+](C)C)CC2)c(C)o1 ZINC001495465861 1101177276 /nfs/dbraw/zinc/17/72/76/1101177276.db2.gz BYMPUAAUQGJMHN-WKILWMFISA-N 2 0 336.480 2.150 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496628704 1101233367 /nfs/dbraw/zinc/23/33/67/1101233367.db2.gz PFAGWUXGZBNVGW-GOSISDBHSA-N 2 0 347.478 2.460 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1CC[NH+](CCCF)CC1 ZINC001495539183 1101254694 /nfs/dbraw/zinc/25/46/94/1101254694.db2.gz BQXMVHRIUVYGQG-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001446723486 1101292838 /nfs/dbraw/zinc/29/28/38/1101292838.db2.gz GRHGZBMSXRQOPR-HZPDHXFCSA-N 2 0 345.478 2.448 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001446729685 1101304016 /nfs/dbraw/zinc/30/40/16/1101304016.db2.gz VIFDKPCKSZDXIR-KGLIPLIRSA-N 2 0 328.407 2.316 10 0 EEAERP CC[C@H](C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)OC ZINC001496780506 1101453239 /nfs/dbraw/zinc/45/32/39/1101453239.db2.gz FKWIXCOYIBDCKF-CRAIPNDOSA-N 2 0 345.503 2.014 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001495719750 1101482590 /nfs/dbraw/zinc/48/25/90/1101482590.db2.gz XBZQMYAQTRKFON-RHSMWYFYSA-N 2 0 337.895 2.319 10 0 EEAERP C[C@H](F)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001447074915 1101930289 /nfs/dbraw/zinc/93/02/89/1101930289.db2.gz DQHCVCWTIZCDOZ-MAUKXSAKSA-N 2 0 335.467 2.434 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496063225 1101998065 /nfs/dbraw/zinc/99/80/65/1101998065.db2.gz ZZZPQUGDVXJKMN-XJKCOSOUSA-N 2 0 339.430 2.242 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496081412 1102026419 /nfs/dbraw/zinc/02/64/19/1102026419.db2.gz VHLMFIJJPLTWIF-QAPCUYQASA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496093368 1102043102 /nfs/dbraw/zinc/04/31/02/1102043102.db2.gz HPHRQTZVUTUMCI-MAUKXSAKSA-N 2 0 335.467 2.289 10 0 EEAERP CCOCCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001496096999 1102055159 /nfs/dbraw/zinc/05/51/59/1102055159.db2.gz DQVZZYKMDDCRRB-AWEZNQCLSA-N 2 0 332.448 2.119 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103928 1102069106 /nfs/dbraw/zinc/06/91/06/1102069106.db2.gz PGSDNUXIKCCRIV-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cc(F)ccc2F)CCC1 ZINC001447232404 1102250453 /nfs/dbraw/zinc/25/04/53/1102250453.db2.gz WBGDWBLGAIDAEC-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP C[C@H](CC[NH2+]C/C=C\c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497302387 1102281848 /nfs/dbraw/zinc/28/18/48/1102281848.db2.gz BGFDVVGPWLZNBP-CTEOGUNLSA-N 2 0 327.472 2.280 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001447248280 1102290697 /nfs/dbraw/zinc/29/06/97/1102290697.db2.gz RHSLQNPNVXIBEM-HOCLYGCPSA-N 2 0 348.516 2.289 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001497322742 1102321043 /nfs/dbraw/zinc/32/10/43/1102321043.db2.gz LRLSMEOVZRONCN-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cncs3)CC2)CCC1 ZINC001447310428 1102424940 /nfs/dbraw/zinc/42/49/40/1102424940.db2.gz RSDNNVIKQXSYDD-CQSZACIVSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001447335774 1102471211 /nfs/dbraw/zinc/47/12/11/1102471211.db2.gz JAPBPLZQLSWQDH-INIZCTEOSA-N 2 0 336.480 2.138 10 0 EEAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@H]1COCCN1C1CCCC1 ZINC001497445547 1102500444 /nfs/dbraw/zinc/50/04/44/1102500444.db2.gz WNPIICHICONGIU-GOSISDBHSA-N 2 0 337.508 2.034 10 0 EEAERP CCC1([NH2+]CC2CCOCC2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001447431346 1102640948 /nfs/dbraw/zinc/64/09/48/1102640948.db2.gz WBTFRAJPPXFKFX-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001497580815 1102695274 /nfs/dbraw/zinc/69/52/74/1102695274.db2.gz YIRFJTZUESUCAP-XDXAGZTOSA-N 2 0 330.476 2.025 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC001447545952 1102834803 /nfs/dbraw/zinc/83/48/03/1102834803.db2.gz XBOKWYJFRQGPJK-APWZRJJASA-N 2 0 347.503 2.111 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001497728414 1102977261 /nfs/dbraw/zinc/97/72/61/1102977261.db2.gz SAEUVLKRCTYGHD-CWIOURORSA-N 2 0 327.472 2.414 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001497749488 1103018501 /nfs/dbraw/zinc/01/85/01/1103018501.db2.gz IWSFNTPBGZTGLN-IMLGJKEDSA-N 2 0 349.425 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccn(C)n1)C(C)C ZINC001493877914 1103021060 /nfs/dbraw/zinc/02/10/60/1103021060.db2.gz DIOLAMDKOBYAMS-GOSISDBHSA-N 2 0 349.523 2.011 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC001493907552 1103097965 /nfs/dbraw/zinc/09/79/65/1103097965.db2.gz ZKRAQKRUKKHHTD-IBGZPJMESA-N 2 0 340.471 2.369 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC001447684489 1103112724 /nfs/dbraw/zinc/11/27/24/1103112724.db2.gz HKFDWYWBOHVESD-RDJZCZTQSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccncc1C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001447769171 1103273943 /nfs/dbraw/zinc/27/39/43/1103273943.db2.gz MIHBXQZJDDEFPA-SFHVURJKSA-N 2 0 332.492 2.153 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)c1 ZINC001447807427 1103369386 /nfs/dbraw/zinc/36/93/86/1103369386.db2.gz WUPYNMQOCFEPTH-UQPPLGOBSA-N 2 0 333.476 2.192 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001447818227 1103382200 /nfs/dbraw/zinc/38/22/00/1103382200.db2.gz FFPAKMGKXBVJDI-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001494077869 1103484433 /nfs/dbraw/zinc/48/44/33/1103484433.db2.gz CANAMVHFKIWXBR-RBUKOAKNSA-N 2 0 347.478 2.436 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494144033 1103594222 /nfs/dbraw/zinc/59/42/22/1103594222.db2.gz IETPEAIZAPULPB-HOTGVXAUSA-N 2 0 325.472 2.143 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C[C@@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001494286521 1103819496 /nfs/dbraw/zinc/81/94/96/1103819496.db2.gz FPTFIRWUWYPHJN-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCCC2)O1 ZINC001448236812 1104226695 /nfs/dbraw/zinc/22/66/95/1104226695.db2.gz PWMFZKNQJADDIO-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001448332203 1104407877 /nfs/dbraw/zinc/40/78/77/1104407877.db2.gz BYUXOYPVLKXCOO-QAPCUYQASA-N 2 0 347.478 2.434 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cc3ccccc3o2)C1 ZINC001448357281 1104453419 /nfs/dbraw/zinc/45/34/19/1104453419.db2.gz IADCNNMSQAUGMO-OAHLLOKOSA-N 2 0 341.455 2.465 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001480684307 1106877917 /nfs/dbraw/zinc/87/79/17/1106877917.db2.gz YDHMHDXYUMBQLI-GOSISDBHSA-N 2 0 344.503 2.286 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480695185 1106900303 /nfs/dbraw/zinc/90/03/03/1106900303.db2.gz LRGOGSVAVWMMHI-CVEARBPZSA-N 2 0 344.459 2.310 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001480706246 1106924856 /nfs/dbraw/zinc/92/48/56/1106924856.db2.gz AXAFPJDHSLXISB-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001480709185 1106930730 /nfs/dbraw/zinc/93/07/30/1106930730.db2.gz JQIBIOMUWFWSGQ-LSDHHAIUSA-N 2 0 338.521 2.309 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480733039 1107000386 /nfs/dbraw/zinc/00/03/86/1107000386.db2.gz ZDPNJYFBAHXGPW-QGZVFWFLSA-N 2 0 344.459 2.216 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCC[C@@H]2CCOC2)C1 ZINC001480738937 1107021870 /nfs/dbraw/zinc/02/18/70/1107021870.db2.gz LKUUPHQIACLLBU-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001498284263 1107212849 /nfs/dbraw/zinc/21/28/49/1107212849.db2.gz UJTGMYQLRVSRKF-MAUKXSAKSA-N 2 0 347.478 2.412 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001498455694 1107562989 /nfs/dbraw/zinc/56/29/89/1107562989.db2.gz JQPDQTAJUNGVOC-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1cc(F)ccc1F)C1CC1)C12CC[NH+](CC1)C2 ZINC001498857910 1108231885 /nfs/dbraw/zinc/23/18/85/1108231885.db2.gz JXEHSYLQTSYJIO-KRWDZBQOSA-N 2 0 349.425 2.045 10 0 EEAERP CN(CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccn1 ZINC001455150641 1108259675 /nfs/dbraw/zinc/25/96/75/1108259675.db2.gz SJHMXZMLAFVIPT-SFHVURJKSA-N 2 0 336.455 2.237 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CCc1ccccc1 ZINC001498996696 1108433281 /nfs/dbraw/zinc/43/32/81/1108433281.db2.gz BHFJDWMLJFQBFJ-RTBURBONSA-N 2 0 329.488 2.294 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001493764886 1108641088 /nfs/dbraw/zinc/64/10/88/1108641088.db2.gz ZMOBOXONPTVLCH-QFBILLFUSA-N 2 0 331.504 2.180 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793749 1108673354 /nfs/dbraw/zinc/67/33/54/1108673354.db2.gz LNVIOTVWWGSANI-MSOLQXFVSA-N 2 0 329.488 2.106 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC001493806860 1108687256 /nfs/dbraw/zinc/68/72/56/1108687256.db2.gz QSQBTAKCXPQLFE-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)Cc1ccccc1 ZINC001463835910 1110381503 /nfs/dbraw/zinc/38/15/03/1110381503.db2.gz JPCWLVMMNUDMDV-RTBURBONSA-N 2 0 349.494 2.490 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001465695493 1110422109 /nfs/dbraw/zinc/42/21/09/1110422109.db2.gz ZHLLZZIBAJSCQE-AWEZNQCLSA-N 2 0 327.469 2.072 10 0 EEAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001472447718 1110556507 /nfs/dbraw/zinc/55/65/07/1110556507.db2.gz IGJGHCPSCXMNSB-OALUTQOASA-N 2 0 329.488 2.451 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)sn1 ZINC001479319399 1110680526 /nfs/dbraw/zinc/68/05/26/1110680526.db2.gz JIVLBQKRGFHSKT-IJEWVQPXSA-N 2 0 338.521 2.022 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001479319428 1110680555 /nfs/dbraw/zinc/68/05/55/1110680555.db2.gz JROWEMOVRMDAAR-JNSHFYNHSA-N 2 0 341.858 2.415 10 0 EEAERP COCc1ccc(C[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CC2)cc1 ZINC001499248272 1112199676 /nfs/dbraw/zinc/19/96/76/1112199676.db2.gz FAUCCBYBERQDHY-UHFFFAOYSA-N 2 0 345.487 2.056 10 0 EEAERP CN(C)[C@@H](C(=O)NCC1([NH2+]Cc2cncs2)CC1)c1ccccc1 ZINC001499458669 1112295574 /nfs/dbraw/zinc/29/55/74/1112295574.db2.gz LGIAZEPTSVVSPO-MRXNPFEDSA-N 2 0 344.484 2.184 10 0 EEAERP COCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001499480215 1112311078 /nfs/dbraw/zinc/31/10/78/1112311078.db2.gz DYNBVAHHTJFXRZ-MSOLQXFVSA-N 2 0 348.491 2.013 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@@H+](Cc2cccnc2)CC2CC2)CC1 ZINC001499531276 1112347024 /nfs/dbraw/zinc/34/70/24/1112347024.db2.gz VCQYMSOYRKFNDM-UHFFFAOYSA-N 2 0 344.503 2.236 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001499987008 1112567362 /nfs/dbraw/zinc/56/73/62/1112567362.db2.gz VURCKJWLHIOIOW-GJZGRUSLSA-N 2 0 333.467 2.385 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1cncs1)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001500122656 1112626951 /nfs/dbraw/zinc/62/69/51/1112626951.db2.gz IHPRICJQLCOKEE-INIZCTEOSA-N 2 0 348.516 2.004 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C)(CNC(=O)CCC[NH+](C)C)CC2)o1 ZINC001500444657 1112837132 /nfs/dbraw/zinc/83/71/32/1112837132.db2.gz RLWHOTQVWBXYKU-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@@H](C)[NH2+]CCCO)cc2)CC[N@@H+]1C ZINC001501676295 1113429257 /nfs/dbraw/zinc/42/92/57/1113429257.db2.gz JOGQEYOSEBBLLW-AYOQOUSVSA-N 2 0 347.503 2.066 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC001501746811 1113460255 /nfs/dbraw/zinc/46/02/55/1113460255.db2.gz RUCKYZYRFJLOPP-UHFFFAOYSA-N 2 0 344.503 2.238 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001505621318 1114090047 /nfs/dbraw/zinc/09/00/47/1114090047.db2.gz FYYKPVIVSZNIMM-QWHCGFSZSA-N 2 0 339.430 2.432 10 0 EEAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001505704928 1114141686 /nfs/dbraw/zinc/14/16/86/1114141686.db2.gz CKKJGWPFPXQPND-ZIAGYGMSSA-N 2 0 348.491 2.267 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001505724984 1114153184 /nfs/dbraw/zinc/15/31/84/1114153184.db2.gz NTXPCZDMRNLOKT-OLZOCXBDSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001505961042 1114301993 /nfs/dbraw/zinc/30/19/93/1114301993.db2.gz FDZHLAXXKYZLJN-KGLIPLIRSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506505341 1114657306 /nfs/dbraw/zinc/65/73/06/1114657306.db2.gz OABRGQROGTZQSK-NVXWUHKLSA-N 2 0 339.499 2.485 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]CCCO)CCCCC2)cc1 ZINC001506523563 1114672360 /nfs/dbraw/zinc/67/23/60/1114672360.db2.gz JCZBBRHQMYQGDU-UHFFFAOYSA-N 2 0 347.503 2.153 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cc(C)ncn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506535319 1114681075 /nfs/dbraw/zinc/68/10/75/1114681075.db2.gz IEGAFJXBKYVQAS-FUHWJXTLSA-N 2 0 347.507 2.034 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1nccs1)NC(=O)C12CC[NH+](CC1)C2 ZINC001506554912 1114696142 /nfs/dbraw/zinc/69/61/42/1114696142.db2.gz HKRVSCNPRDEZBT-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@@H]2C1 ZINC001506853843 1114917487 /nfs/dbraw/zinc/91/74/87/1114917487.db2.gz DYCDXFAIXQESQX-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cc(C)on3)C[C@@H]2C1 ZINC001506853845 1114917765 /nfs/dbraw/zinc/91/77/65/1114917765.db2.gz DYCDXFAIXQESQX-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001506935918 1114986415 /nfs/dbraw/zinc/98/64/15/1114986415.db2.gz NPCAPWLUGYVGBN-SQNIBIBYSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CCOC(C)C)CC2)CC[N@@H+]1C ZINC001506958096 1115005397 /nfs/dbraw/zinc/00/53/97/1115005397.db2.gz LNGWBHOAFHYKQG-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001507095202 1115105490 /nfs/dbraw/zinc/10/54/90/1115105490.db2.gz KFQACAJQGIOTRT-GOEBONIOSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001507150536 1115134980 /nfs/dbraw/zinc/13/49/80/1115134980.db2.gz YLSIUOOCUKHDLU-OLZOCXBDSA-N 2 0 348.318 2.103 10 0 EEAERP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001507296032 1115179319 /nfs/dbraw/zinc/17/93/19/1115179319.db2.gz GTPSMAWTUQHFHH-QAPCUYQASA-N 2 0 333.476 2.114 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507326980 1115193916 /nfs/dbraw/zinc/19/39/16/1115193916.db2.gz OFBKODRRBYFSRB-DLBZAZTESA-N 2 0 341.540 2.216 10 0 EEAERP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCCCCF ZINC001507384548 1115243016 /nfs/dbraw/zinc/24/30/16/1115243016.db2.gz WWXFOBXAFZFYFJ-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]C/C=C/Cl ZINC001507453524 1115278660 /nfs/dbraw/zinc/27/86/60/1115278660.db2.gz JRNOLHGJONIQIB-VFADXPBXSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC2)on1 ZINC001508064843 1115408866 /nfs/dbraw/zinc/40/88/66/1115408866.db2.gz MLKTYLKGDRPWTG-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncccc1C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001508082175 1115415252 /nfs/dbraw/zinc/41/52/52/1115415252.db2.gz CXYBDAQYJLPLMM-INIZCTEOSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001508222424 1115450250 /nfs/dbraw/zinc/45/02/50/1115450250.db2.gz LLSMSSJSUAOEDB-APWZRJJASA-N 2 0 349.519 2.034 10 0 EEAERP CC(C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001541368939 1124104449 /nfs/dbraw/zinc/10/44/49/1124104449.db2.gz XEDBWVXAPHCSGA-HZPDHXFCSA-N 2 0 334.512 2.026 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCc1ccccc1 ZINC001567853703 1124139516 /nfs/dbraw/zinc/13/95/16/1124139516.db2.gz GLXFEHJSPKMUND-SLFFLAALSA-N 2 0 341.499 2.389 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001567922486 1124182244 /nfs/dbraw/zinc/18/22/44/1124182244.db2.gz SVFQCBLQJWEGQO-HKUYNNGSSA-N 2 0 347.503 2.328 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001568008892 1124228747 /nfs/dbraw/zinc/22/87/47/1124228747.db2.gz XOJHRLLUDRZLSG-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001568041574 1124246112 /nfs/dbraw/zinc/24/61/12/1124246112.db2.gz RZCGPJWQHDJQHT-YJBOKZPZSA-N 2 0 327.488 2.343 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001568068356 1124273529 /nfs/dbraw/zinc/27/35/29/1124273529.db2.gz VJCYQEAFLBZFMK-IEBWSBKVSA-N 2 0 346.519 2.386 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568392903 1124462284 /nfs/dbraw/zinc/46/22/84/1124462284.db2.gz ZBRZMQCVOMJKER-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001568674502 1124687757 /nfs/dbraw/zinc/68/77/57/1124687757.db2.gz OUSBJCHJGGMQKD-LBPRGKRZSA-N 2 0 338.521 2.086 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568793670 1124806308 /nfs/dbraw/zinc/80/63/08/1124806308.db2.gz VDFXCYPBFLDFJS-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001568877223 1124903183 /nfs/dbraw/zinc/90/31/83/1124903183.db2.gz IHDDKHBYAMLXDC-ONEGZZNKSA-N 2 0 349.438 2.422 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001568949634 1124983439 /nfs/dbraw/zinc/98/34/39/1124983439.db2.gz FNKKRCKKPWISKB-LLHWWHOWSA-N 2 0 329.488 2.141 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001568964106 1124999660 /nfs/dbraw/zinc/99/96/60/1124999660.db2.gz OSNHNTNXZIWKIL-QFRLHKFZSA-N 2 0 349.425 2.310 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569090293 1125092109 /nfs/dbraw/zinc/09/21/09/1125092109.db2.gz CWPUBSKFCAOKGF-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001569136323 1125119570 /nfs/dbraw/zinc/11/95/70/1125119570.db2.gz PIRSXHWBAVHUKA-QGZVFWFLSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001569135384 1125119910 /nfs/dbraw/zinc/11/99/10/1125119910.db2.gz WOUSMLLSSCNYNY-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001569314825 1125224548 /nfs/dbraw/zinc/22/45/48/1125224548.db2.gz NKEQHUSPJJUMEA-WOJBJXKFSA-N 2 0 343.515 2.370 10 0 EEAERP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183209828 539594494 /nfs/dbraw/zinc/59/44/94/539594494.db2.gz FVILRGNHQPRTNT-UHFFFAOYSA-N 2 0 340.471 2.125 10 0 EEAERP COc1ccc([C@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1Br ZINC000038052085 202093556 /nfs/dbraw/zinc/09/35/56/202093556.db2.gz VPOTXYOWNRHRRR-AWEZNQCLSA-N 2 0 342.281 2.095 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)C[NH+]1CCCC1 ZINC000125777144 201100877 /nfs/dbraw/zinc/10/08/77/201100877.db2.gz DDLOOGBIVBKQIG-INIZCTEOSA-N 2 0 333.476 2.089 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981847 239031701 /nfs/dbraw/zinc/03/17/01/239031701.db2.gz WNSAMVJHLJDRGL-GOSISDBHSA-N 2 0 326.444 2.440 10 0 EEAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416189558 239109421 /nfs/dbraw/zinc/10/94/21/239109421.db2.gz JSGHMVFRVOJASZ-HNAYVOBHSA-N 2 0 327.472 2.034 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCC2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422794524 240227810 /nfs/dbraw/zinc/22/78/10/240227810.db2.gz YVWKSAHXLLXJOW-MRXNPFEDSA-N 3 0 339.524 2.019 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(Cl)cn2)CC[NH2+]CC1 ZINC000423013181 240328671 /nfs/dbraw/zinc/32/86/71/240328671.db2.gz FJDKPGGPRGMOQS-LBPRGKRZSA-N 2 0 325.840 2.146 10 0 EEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(Br)c2)CC1 ZINC000022212137 212283124 /nfs/dbraw/zinc/28/31/24/212283124.db2.gz KNWMDFNAZMHABE-AWEZNQCLSA-N 2 0 330.245 2.226 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426604456 241316533 /nfs/dbraw/zinc/31/65/33/241316533.db2.gz UHZJJYQKGXKZNG-HNNXBMFYSA-N 2 0 348.482 2.479 10 0 EEAERP C[N@H+](C[C@H](O)CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000451909032 243306232 /nfs/dbraw/zinc/30/62/32/243306232.db2.gz ZHJSTJCYUAXNDY-KRWDZBQOSA-N 2 0 325.541 2.274 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000121591279 296130900 /nfs/dbraw/zinc/13/09/00/296130900.db2.gz IRTGJPBJDHNLOT-LSDHHAIUSA-N 2 0 339.505 2.107 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000072848369 203247088 /nfs/dbraw/zinc/24/70/88/203247088.db2.gz WTGOHGJHBPYTHD-UHFFFAOYSA-N 2 0 330.476 2.109 10 0 EEAERP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)O1 ZINC000261612721 244607570 /nfs/dbraw/zinc/60/75/70/244607570.db2.gz BLGSOKRHCGNSTQ-MOPGFXCFSA-N 2 0 345.487 2.185 10 0 EEAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)C2(OC)CCC2)CC1 ZINC000459293989 245066765 /nfs/dbraw/zinc/06/67/65/245066765.db2.gz GISLLCZYTYUTLE-INIZCTEOSA-N 2 0 326.481 2.151 10 0 EEAERP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[N@H+](C)CC1 ZINC000042952603 204185433 /nfs/dbraw/zinc/18/54/33/204185433.db2.gz POXRCGDJMKUMNK-SWLSCSKDSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000045185686 296389937 /nfs/dbraw/zinc/38/99/37/296389937.db2.gz UXPCSWYMGJCCAH-AEFFLSMTSA-N 2 0 332.492 2.320 10 0 EEAERP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246050076 256014032 /nfs/dbraw/zinc/01/40/32/256014032.db2.gz VARMMNQTNDRHOE-HKUYNNGSSA-N 2 0 345.462 2.344 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000270344054 256125510 /nfs/dbraw/zinc/12/55/10/256125510.db2.gz MBFFDJLEQYEZMA-GRGSLBFTSA-N 2 0 342.487 2.214 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448252764 285388106 /nfs/dbraw/zinc/38/81/06/285388106.db2.gz RPXSRKLUJMULFF-IKGGRYGDSA-N 2 0 338.540 2.479 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)[C@H](C)C1 ZINC000358300857 286064099 /nfs/dbraw/zinc/06/40/99/286064099.db2.gz MNWQPVQGYGCOOZ-YRXWBPOGSA-N 2 0 340.508 2.051 10 0 EEAERP COCCN(C)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000191228977 152243565 /nfs/dbraw/zinc/24/35/65/152243565.db2.gz AOWFLWWEAMCLFL-UHFFFAOYSA-N 2 0 346.519 2.472 10 0 EEAERP CCc1cc2c(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc(=O)oc2cc1O ZINC000193649280 160184609 /nfs/dbraw/zinc/18/46/09/160184609.db2.gz BMXNNAQEUDFGNR-GASCZTMLSA-N 2 0 328.412 2.054 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246787651 160294245 /nfs/dbraw/zinc/29/42/45/160294245.db2.gz REZDMLHIMNNZOO-RBUKOAKNSA-N 2 0 344.503 2.435 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)[C@@H](C)C1 ZINC000246837044 160296452 /nfs/dbraw/zinc/29/64/52/160296452.db2.gz OMSBKAGHTVXTPS-WDYCEAGBSA-N 2 0 338.467 2.365 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247980006 160334622 /nfs/dbraw/zinc/33/46/22/160334622.db2.gz HHGKGKGWWNOGTN-BVBHFADKSA-N 2 0 344.503 2.413 10 0 EEAERP Cc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc(=O)n2c1 ZINC000343566872 161147229 /nfs/dbraw/zinc/14/72/29/161147229.db2.gz MLUHUETXXIZRMK-UHFFFAOYSA-N 2 0 340.471 2.311 10 0 EEAERP CC(C)C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(=O)NCC[NH+](C)C ZINC000344931246 161257142 /nfs/dbraw/zinc/25/71/42/161257142.db2.gz QCROVXZFOPMTMA-QRVBRYPASA-N 2 0 331.504 2.472 10 0 EEAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000352885007 162330306 /nfs/dbraw/zinc/33/03/06/162330306.db2.gz VFDWNECPWVJVND-FQEVSTJZSA-N 2 0 337.552 2.418 10 0 EEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000123777135 222330598 /nfs/dbraw/zinc/33/05/98/222330598.db2.gz RDTYXHQOVAERQP-LSDHHAIUSA-N 2 0 341.521 2.495 10 0 EEAERP Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272762003 269016228 /nfs/dbraw/zinc/01/62/28/269016228.db2.gz GAPAZHOLOQRQGV-RHSMWYFYSA-N 2 0 331.464 2.016 10 0 EEAERP C[C@@H](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175634161 278232727 /nfs/dbraw/zinc/23/27/27/278232727.db2.gz UWRYBMBDINOXEJ-WMZOPIPTSA-N 2 0 332.492 2.243 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403985 278240030 /nfs/dbraw/zinc/24/00/30/278240030.db2.gz PIYQJZYAAOHQJJ-YQVWRLOYSA-N 2 0 346.519 2.295 10 0 EEAERP O=C1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333176721 312106851 /nfs/dbraw/zinc/10/68/51/312106851.db2.gz RBBDVPISLDLRFS-KQTLUZQSSA-N 2 0 347.425 2.344 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000333830190 312203040 /nfs/dbraw/zinc/20/30/40/312203040.db2.gz SSAHTNXCIXKCLB-BBRMVZONSA-N 2 0 336.505 2.091 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000414736595 313072500 /nfs/dbraw/zinc/07/25/00/313072500.db2.gz MYLGYMCJYFLIER-INIZCTEOSA-N 2 0 345.491 2.044 10 0 EEAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416792029 313317940 /nfs/dbraw/zinc/31/79/40/313317940.db2.gz XOEHNODCDZPIOO-MOPGFXCFSA-N 2 0 342.487 2.359 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416839781 313331277 /nfs/dbraw/zinc/33/12/77/313331277.db2.gz KHKOVVMMKGLLBQ-GUDVDZBRSA-N 2 0 344.503 2.463 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000417745671 313583671 /nfs/dbraw/zinc/58/36/71/313583671.db2.gz FXVZTETVWYQFMD-GOSISDBHSA-N 2 0 336.524 2.282 10 0 EEAERP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000418398272 313803789 /nfs/dbraw/zinc/80/37/89/313803789.db2.gz WBWAKNDEDGKHPR-HNNXBMFYSA-N 2 0 326.529 2.384 10 0 EEAERP C[C@@H]1CCC[C@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000525437324 317058553 /nfs/dbraw/zinc/05/85/53/317058553.db2.gz JSEHSALTIFDOCR-IAGOWNOFSA-N 2 0 326.529 2.338 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000527006166 317139680 /nfs/dbraw/zinc/13/96/80/317139680.db2.gz JIJRJZQLEKMOQB-OAHLLOKOSA-N 2 0 330.476 2.406 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000527293109 317180313 /nfs/dbraw/zinc/18/03/13/317180313.db2.gz NZUSAZFJRLYJCG-UHFFFAOYSA-N 2 0 337.489 2.326 10 0 EEAERP CCc1nn(C)c(CC)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248555 317704307 /nfs/dbraw/zinc/70/43/07/317704307.db2.gz MJTALESBZNKPRJ-INIZCTEOSA-N 2 0 334.508 2.135 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000536600143 318003220 /nfs/dbraw/zinc/00/32/20/318003220.db2.gz VPGKLPHGLYFRNM-JKSUJKDBSA-N 2 0 330.476 2.157 10 0 EEAERP Cn1nccc1-c1ccccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000556867226 318658780 /nfs/dbraw/zinc/65/87/80/318658780.db2.gz BCKYMZXLDRSATJ-UHFFFAOYSA-N 2 0 329.492 2.012 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000557135371 318670718 /nfs/dbraw/zinc/67/07/18/318670718.db2.gz AFRLHKZJQZMXOW-QLFBSQMISA-N 2 0 336.505 2.182 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)COC1CCC([NH3+])CC1 ZINC000564080510 319065329 /nfs/dbraw/zinc/06/53/29/319065329.db2.gz KBKOJPCOKOYXEU-UHFFFAOYSA-N 2 0 347.503 2.430 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000564327453 319078621 /nfs/dbraw/zinc/07/86/21/319078621.db2.gz WEIBDJOKGYZJKJ-INIZCTEOSA-N 2 0 339.443 2.020 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CCC(C)C)cn2)CC1 ZINC000564843057 319116938 /nfs/dbraw/zinc/11/69/38/319116938.db2.gz AFNPRBOJQSAMMF-SFHVURJKSA-N 2 0 334.508 2.110 10 0 EEAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000574450432 320026349 /nfs/dbraw/zinc/02/63/49/320026349.db2.gz OLIBWFSPGKODAH-BXWFABGCSA-N 2 0 332.492 2.466 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574548845 320035799 /nfs/dbraw/zinc/03/57/99/320035799.db2.gz NOHDBRODGQEHQV-DZJNRPSUSA-N 2 0 330.476 2.119 10 0 EEAERP C[C@@H]1CN(Cc2cccc(NC(=O)CC(F)(F)CN)c2)C[C@H](C)O1 ZINC000576355776 320165140 /nfs/dbraw/zinc/16/51/40/320165140.db2.gz IMGZGWRWEMUPDE-BETUJISGSA-N 2 0 341.402 2.218 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000576940778 320217897 /nfs/dbraw/zinc/21/78/97/320217897.db2.gz CTPXZVVIAIJSIH-APWZRJJASA-N 2 0 344.503 2.232 10 0 EEAERP CN(CCC[NH+]1CCCC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000337275960 465281757 /nfs/dbraw/zinc/28/17/57/465281757.db2.gz QNHDCFNOWCGKBX-AWEZNQCLSA-N 2 0 335.414 2.205 10 0 EEAERP CN1CCC([NH2+]CC2CCC(C[NH2+]C3CCN(C)CC3)CC2)CC1 ZINC000002004335 462588554 /nfs/dbraw/zinc/58/85/54/462588554.db2.gz STMCRUBVLOKMKB-UHFFFAOYSA-N 2 0 336.568 2.160 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000131010447 462787939 /nfs/dbraw/zinc/78/79/39/462787939.db2.gz QRJYLXIXEDILSL-ROUUACIJSA-N 2 0 334.508 2.010 10 0 EEAERP O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970577 462844350 /nfs/dbraw/zinc/84/43/50/462844350.db2.gz DOVSGBPGBMDLCA-GOSISDBHSA-N 2 0 336.451 2.373 10 0 EEAERP C[NH+](C)CCn1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000066382020 462883527 /nfs/dbraw/zinc/88/35/27/462883527.db2.gz QEZJWSCIHLAANW-UHFFFAOYSA-N 2 0 341.459 2.293 10 0 EEAERP C[C@@H](CO)[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092396224 462949751 /nfs/dbraw/zinc/94/97/51/462949751.db2.gz NQJFJGHPHXQEKO-KBPBESRZSA-N 2 0 325.884 2.198 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000069329115 463230600 /nfs/dbraw/zinc/23/06/00/463230600.db2.gz JPHDWWDRCNIQEQ-ZDUSSCGKSA-N 2 0 336.867 2.170 10 0 EEAERP Cc1c(C[NH2+]CCC[NH+]2CCCC2)c2ccccc2n1CC(N)=O ZINC000055325666 463309117 /nfs/dbraw/zinc/30/91/17/463309117.db2.gz CWTJNPMASZSNTE-UHFFFAOYSA-N 2 0 328.460 2.011 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000072015943 463479601 /nfs/dbraw/zinc/47/96/01/463479601.db2.gz QAHYQZJTMJCLFU-GJZGRUSLSA-N 2 0 336.505 2.278 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000163276293 463578045 /nfs/dbraw/zinc/57/80/45/463578045.db2.gz UCTKWKNZJFZOIB-SXLOBPIMSA-N 2 0 331.504 2.207 10 0 EEAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107829487 463584885 /nfs/dbraw/zinc/58/48/85/463584885.db2.gz GMQFQNHRGJGYEX-SFHVURJKSA-N 2 0 334.508 2.273 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000193910375 463758278 /nfs/dbraw/zinc/75/82/78/463758278.db2.gz AUSQXTPMBNUQGQ-UHFFFAOYSA-N 2 0 333.476 2.230 10 0 EEAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000185489785 463831556 /nfs/dbraw/zinc/83/15/56/463831556.db2.gz HVNYDXIWGZTRKM-INIZCTEOSA-N 2 0 332.492 2.026 10 0 EEAERP C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278855773 463999629 /nfs/dbraw/zinc/99/96/29/463999629.db2.gz QTWCQPVTJRQJRN-XCZFOBESSA-N 2 0 330.472 2.312 10 0 EEAERP C[NH+]1CCC(CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000292247724 464172990 /nfs/dbraw/zinc/17/29/90/464172990.db2.gz SENINIIMIRDYFX-UHFFFAOYSA-N 2 0 345.487 2.314 10 0 EEAERP C[C@H](C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000284440799 464193116 /nfs/dbraw/zinc/19/31/16/464193116.db2.gz RWZYJOWHGSHKMY-NEWSRXKRSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1cc(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ncn1 ZINC000292367080 464209150 /nfs/dbraw/zinc/20/91/50/464209150.db2.gz GFXICGMZXZGSLI-UHFFFAOYSA-N 2 0 339.487 2.035 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H]1c1ccccc1 ZINC000270245518 464232406 /nfs/dbraw/zinc/23/24/06/464232406.db2.gz DKIMGZXGALSWPI-FCGDIQPGSA-N 2 0 342.487 2.358 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000292541209 464266941 /nfs/dbraw/zinc/26/69/41/464266941.db2.gz QEJRFIJUMUJNSP-NXHRZFHOSA-N 2 0 332.492 2.460 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000246454593 464587165 /nfs/dbraw/zinc/58/71/65/464587165.db2.gz OVRDEIBJUIIKSU-KZNAEPCWSA-N 2 0 336.524 2.233 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000246483120 464589663 /nfs/dbraw/zinc/58/96/63/464589663.db2.gz VWASFLQCRCUNJT-RCCFBDPRSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246565095 464600860 /nfs/dbraw/zinc/60/08/60/464600860.db2.gz ZEQGMXBZAYFTNN-XWTMOSNGSA-N 2 0 338.540 2.479 10 0 EEAERP CCCn1cc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000190312076 464620861 /nfs/dbraw/zinc/62/08/61/464620861.db2.gz FMDPCYJFUQBJJX-HXUWFJFHSA-N 2 0 342.487 2.362 10 0 EEAERP CCN(CC)C(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248658619 464782934 /nfs/dbraw/zinc/78/29/34/464782934.db2.gz ULKQHXXLKCHKGD-WMZOPIPTSA-N 2 0 332.492 2.092 10 0 EEAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000183144321 464807910 /nfs/dbraw/zinc/80/79/10/464807910.db2.gz PGTCIPYPQLJCQV-ZGXWSNOMSA-N 2 0 341.499 2.498 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000248903958 464819260 /nfs/dbraw/zinc/81/92/60/464819260.db2.gz UQPLWDVLEFDOAK-SJLPKXTDSA-N 2 0 332.492 2.100 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341417 465730438 /nfs/dbraw/zinc/73/04/38/465730438.db2.gz OAZPUIKRHRNJJV-NSISKUIASA-N 2 0 349.494 2.125 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(C)nc3)CC2)CC1 ZINC000361075365 465746887 /nfs/dbraw/zinc/74/68/87/465746887.db2.gz SVLJXTBXQBHKTE-UHFFFAOYSA-N 2 0 344.503 2.170 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701356 465746913 /nfs/dbraw/zinc/74/69/13/465746913.db2.gz QONSZMQOUPDDQY-UONOGXRCSA-N 2 0 337.430 2.448 10 0 EEAERP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175177 465814949 /nfs/dbraw/zinc/81/49/49/465814949.db2.gz LUDCDKKLLSFOEE-VKJFTORMSA-N 2 0 334.483 2.178 10 0 EEAERP C[N@H+](CCNC(=O)CC[NH+]1CCc2ccccc2C1)C1CCCC1 ZINC000348909727 465868730 /nfs/dbraw/zinc/86/87/30/465868730.db2.gz JDRSKTMFDLNYDI-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP O=C([C@@H]1COCCN1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353453724 465894134 /nfs/dbraw/zinc/89/41/34/465894134.db2.gz ZJXGQHFKMSUJPV-OALUTQOASA-N 2 0 349.519 2.107 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000340301116 465970666 /nfs/dbraw/zinc/97/06/66/465970666.db2.gz QEAAYVUZMLIUPA-CEXWTWQISA-N 2 0 344.503 2.413 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000340570913 466178673 /nfs/dbraw/zinc/17/86/73/466178673.db2.gz BPXHNWKFYZAWBY-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000349673325 466186386 /nfs/dbraw/zinc/18/63/86/466186386.db2.gz XBLIQJFDOBJCNB-SFHVURJKSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000349851200 466272138 /nfs/dbraw/zinc/27/21/38/466272138.db2.gz NNDSABIOMPSVSO-OAHLLOKOSA-N 2 0 345.516 2.321 10 0 EEAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001939 466379230 /nfs/dbraw/zinc/37/92/30/466379230.db2.gz FWDNUQOIPGALGJ-UYAOXDASSA-N 2 0 330.520 2.129 10 0 EEAERP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367612803 466448012 /nfs/dbraw/zinc/44/80/12/466448012.db2.gz BBECGVUOGKRHNO-KZNAEPCWSA-N 2 0 336.501 2.443 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000363530647 466461324 /nfs/dbraw/zinc/46/13/24/466461324.db2.gz QZSYAZSGQNLSKH-QGZVFWFLSA-N 2 0 336.524 2.378 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)NCC[NH+](C)C ZINC000347193506 466466872 /nfs/dbraw/zinc/46/68/72/466466872.db2.gz IXQYEAWTHJOKON-ZBFHGGJFSA-N 2 0 349.475 2.158 10 0 EEAERP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311156997 466522265 /nfs/dbraw/zinc/52/22/65/466522265.db2.gz XKGVZCQYERZEKV-UXHICEINSA-N 2 0 337.467 2.289 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000368581880 466675848 /nfs/dbraw/zinc/67/58/48/466675848.db2.gz SUSHCXQJGNJMEU-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP COCC1(CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405928 466740467 /nfs/dbraw/zinc/74/04/67/466740467.db2.gz JVKRXYUCELRCSV-RBUKOAKNSA-N 2 0 347.503 2.094 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000417025170 466757963 /nfs/dbraw/zinc/75/79/63/466757963.db2.gz XTKCGMPQXODXKV-IEBWSBKVSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000365432717 466816918 /nfs/dbraw/zinc/81/69/18/466816918.db2.gz USJATQKXFJCZLA-VEZWFGLTSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411421785 466824659 /nfs/dbraw/zinc/82/46/59/466824659.db2.gz WECIOGRGGVFJGO-DOTOQJQBSA-N 2 0 339.549 2.195 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417293581 466825445 /nfs/dbraw/zinc/82/54/45/466825445.db2.gz ZTKXDGCLJHRLTK-ZXZQKFIBSA-N 2 0 336.524 2.170 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000377026201 467001229 /nfs/dbraw/zinc/00/12/29/467001229.db2.gz ACMMRSRSTWCYMG-VQIMIIECSA-N 2 0 342.487 2.139 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993747 467014993 /nfs/dbraw/zinc/01/49/93/467014993.db2.gz OHCIMQHFODJHHN-ZJPYXAASSA-N 2 0 348.535 2.280 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000377201952 467046890 /nfs/dbraw/zinc/04/68/90/467046890.db2.gz RBQAWWPNVHYVOS-MOPGFXCFSA-N 2 0 346.519 2.439 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418138576 467056612 /nfs/dbraw/zinc/05/66/12/467056612.db2.gz GMACNJGNTVCFEW-ZWKOTPCHSA-N 2 0 334.508 2.319 10 0 EEAERP [NH3+][C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000418425308 467108520 /nfs/dbraw/zinc/10/85/20/467108520.db2.gz HXBCUDXHYYCDOX-GOSISDBHSA-N 2 0 330.476 2.346 10 0 EEAERP CCN(C(=O)NCC1C[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418489051 467118263 /nfs/dbraw/zinc/11/82/63/467118263.db2.gz NPGPPGUGALUKJV-CRAIPNDOSA-N 2 0 330.476 2.073 10 0 EEAERP CCN(C(=O)NCC1C[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418489052 467118524 /nfs/dbraw/zinc/11/85/24/467118524.db2.gz NPGPPGUGALUKJV-MAUKXSAKSA-N 2 0 330.476 2.073 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418564125 467129026 /nfs/dbraw/zinc/12/90/26/467129026.db2.gz WNNMWYYCQVUOET-ZHALLVOQSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418587667 467132362 /nfs/dbraw/zinc/13/23/62/467132362.db2.gz GZRSJVQZFQVLPP-DAXOMENPSA-N 2 0 338.883 2.240 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418658809 467142136 /nfs/dbraw/zinc/14/21/36/467142136.db2.gz WLUYGJBPKKOXIW-IXEWLPCDSA-N 2 0 330.476 2.173 10 0 EEAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297755 467399426 /nfs/dbraw/zinc/39/94/26/467399426.db2.gz GNNNCPYUMZBPQS-YLJYHZDGSA-N 2 0 343.515 2.086 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414566982 467420170 /nfs/dbraw/zinc/42/01/70/467420170.db2.gz XJRBSIPVNIWSMT-QFUCXCTJSA-N 2 0 346.515 2.459 10 0 EEAERP Cc1cc(C[NH2+]CCCNCc2cccnc2)ccc1-n1cncn1 ZINC000414870722 467443303 /nfs/dbraw/zinc/44/33/03/467443303.db2.gz CQKDBLZWPWAKHC-UHFFFAOYSA-N 2 0 336.443 2.240 10 0 EEAERP Cn1c2cc(F)ccc2nc1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431436857 467516128 /nfs/dbraw/zinc/51/61/28/467516128.db2.gz WZVZFAFOOVRJKC-INIZCTEOSA-N 2 0 345.466 2.319 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COCC2CC2)CC1 ZINC000449114482 467618775 /nfs/dbraw/zinc/61/87/75/467618775.db2.gz CWGUQGPTEJTQLY-UWJYYQICSA-N 2 0 346.515 2.459 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)C2)CC1 ZINC000449155905 467621157 /nfs/dbraw/zinc/62/11/57/467621157.db2.gz CLABHWZTBILBEA-LPHOPBHVSA-N 2 0 329.488 2.292 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCn2ccnn2)CC1 ZINC000449239125 467625408 /nfs/dbraw/zinc/62/54/08/467625408.db2.gz IDJOXVBJHUHZSN-KRWDZBQOSA-N 2 0 327.476 2.353 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000449740838 467703653 /nfs/dbraw/zinc/70/36/53/467703653.db2.gz RDVVHVSZCLDJLN-HXUWFJFHSA-N 2 0 331.504 2.469 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)NCCc2cn(C)cn2)CC1 ZINC000458527189 467851534 /nfs/dbraw/zinc/85/15/34/467851534.db2.gz VMHWTVTVHAIVEG-UHFFFAOYSA-N 2 0 335.496 2.020 10 0 EEAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000529643189 467890483 /nfs/dbraw/zinc/89/04/83/467890483.db2.gz WMAVWGGUHAJTPO-INIZCTEOSA-N 2 0 341.455 2.279 10 0 EEAERP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000515166978 467976925 /nfs/dbraw/zinc/97/69/25/467976925.db2.gz SSNZZNQIPFFAPY-OAHLLOKOSA-N 2 0 332.366 2.172 10 0 EEAERP [NH3+]C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000520373846 468246060 /nfs/dbraw/zinc/24/60/60/468246060.db2.gz QSLPIZAPSVIRAQ-GOSISDBHSA-N 2 0 330.476 2.163 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000569558415 468509388 /nfs/dbraw/zinc/50/93/88/468509388.db2.gz GFWZAWPDGJYSQE-YJBOKZPZSA-N 2 0 330.476 2.080 10 0 EEAERP CSc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000582237316 468510346 /nfs/dbraw/zinc/51/03/46/468510346.db2.gz WCAWLNDDYLHEOJ-STQMWFEESA-N 2 0 333.457 2.018 10 0 EEAERP C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557180284 468618736 /nfs/dbraw/zinc/61/87/36/468618736.db2.gz FOYYSQHWDPSDFC-JFRXWTBNSA-N 2 0 344.503 2.194 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000572381521 468926471 /nfs/dbraw/zinc/92/64/71/468926471.db2.gz NQSUIVJVYKQVQE-RJFAQORQSA-N 2 0 348.535 2.122 10 0 EEAERP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593730452 469112453 /nfs/dbraw/zinc/11/24/53/469112453.db2.gz MUJLNDMTDXPYPS-CGTJXYLNSA-N 2 0 332.444 2.334 10 0 EEAERP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000596108947 469159325 /nfs/dbraw/zinc/15/93/25/469159325.db2.gz QQWWXTVQCUZDRZ-XJKSGUPXSA-N 2 0 335.448 2.153 10 0 EEAERP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115140 469174042 /nfs/dbraw/zinc/17/40/42/469174042.db2.gz MJMHQUOQOKNTAA-HOTGVXAUSA-N 2 0 337.414 2.012 10 0 EEAERP C[C@@H](CCNC(=O)COC1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000573917047 469229906 /nfs/dbraw/zinc/22/99/06/469229906.db2.gz LEGBPJLYJJWYHM-IVMQYODDSA-N 2 0 347.503 2.300 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000618555495 469388267 /nfs/dbraw/zinc/38/82/67/469388267.db2.gz ZRHZWZVYDCGFMK-OALUTQOASA-N 2 0 346.519 2.333 10 0 EEAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1Cl ZINC000629387961 469528636 /nfs/dbraw/zinc/52/86/36/469528636.db2.gz OBYXKTQDSSABAA-CYBMUJFWSA-N 2 0 339.867 2.463 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000629523154 469572188 /nfs/dbraw/zinc/57/21/88/469572188.db2.gz AIMGVQAKXNBIJD-GXFFZTMASA-N 2 0 328.254 2.460 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000626946499 469765117 /nfs/dbraw/zinc/76/51/17/469765117.db2.gz RDDSKIMSZGJKMG-XOYOTBSWSA-N 2 0 330.476 2.262 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000627033416 469797440 /nfs/dbraw/zinc/79/74/40/469797440.db2.gz IZUPUCSEWWCTDV-CUSZFKRNSA-N 2 0 332.492 2.426 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NCC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627083489 469809018 /nfs/dbraw/zinc/80/90/18/469809018.db2.gz SXBBQPLIOSKSOX-AWEZNQCLSA-N 2 0 345.274 2.115 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)C2 ZINC000627092626 469811896 /nfs/dbraw/zinc/81/18/96/469811896.db2.gz CMDDENGETTWKRV-YTQUADARSA-N 2 0 330.476 2.108 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[NH2+]1 ZINC000627195032 469840435 /nfs/dbraw/zinc/84/04/35/469840435.db2.gz IUNARJCDLRVRQT-GOEBONIOSA-N 2 0 336.455 2.039 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627242261 469854425 /nfs/dbraw/zinc/85/44/25/469854425.db2.gz PCVRUXVNQXLLIB-CGTJXYLNSA-N 2 0 330.476 2.043 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000620966697 469962629 /nfs/dbraw/zinc/96/26/29/469962629.db2.gz LRHKVVHVEDTBLJ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624574849 469980004 /nfs/dbraw/zinc/98/00/04/469980004.db2.gz ACFLUDATNWKLQJ-JYYAWHABSA-N 2 0 332.492 2.237 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000630847017 470010449 /nfs/dbraw/zinc/01/04/49/470010449.db2.gz KBDBGFCULOPBOX-ZWKOTPCHSA-N 2 0 335.467 2.446 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000641870185 470505327 /nfs/dbraw/zinc/50/53/27/470505327.db2.gz QTGFKIWYYBMTIH-XOIGSVRCSA-N 2 0 342.487 2.197 10 0 EEAERP O[C@H](COCc1ccccc1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681922 470611322 /nfs/dbraw/zinc/61/13/22/470611322.db2.gz IFNCQHABBVYVCH-FQEVSTJZSA-N 2 0 341.455 2.171 10 0 EEAERP COc1cccc(CN(C)C(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899748 471010228 /nfs/dbraw/zinc/01/02/28/471010228.db2.gz UVJWJLDFFVQUPP-PKOBYXMFSA-N 2 0 345.487 2.118 10 0 EEAERP CN(CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(F)(F)F ZINC000657309712 471093502 /nfs/dbraw/zinc/09/35/02/471093502.db2.gz FZXNQWNILYPIBW-UHFFFAOYSA-N 2 0 327.354 2.241 10 0 EEAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000648316158 471161750 /nfs/dbraw/zinc/16/17/50/471161750.db2.gz JCQJBAJWLFKRDE-HIFRSBDPSA-N 2 0 329.435 2.097 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000657573758 471173004 /nfs/dbraw/zinc/17/30/04/471173004.db2.gz SKLJQLYCIYEVPV-WJFTUGDTSA-N 2 0 325.541 2.443 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000657574322 471174240 /nfs/dbraw/zinc/17/42/40/471174240.db2.gz WGPHQPYLZXGQMK-KRWDZBQOSA-N 2 0 329.492 2.234 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000657765210 471230981 /nfs/dbraw/zinc/23/09/81/471230981.db2.gz KGXKFOVORSIQSI-IBGZPJMESA-N 2 0 344.459 2.233 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000641247943 471252152 /nfs/dbraw/zinc/25/21/52/471252152.db2.gz SANKUMMMOJSNKJ-SJLPKXTDSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc2n(n1)CCC2 ZINC000658070085 471264390 /nfs/dbraw/zinc/26/43/90/471264390.db2.gz KXMKSVXNGQVNAA-OAHLLOKOSA-N 2 0 332.492 2.371 10 0 EEAERP CCOC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369079 471343555 /nfs/dbraw/zinc/34/35/55/471343555.db2.gz WNUIYKQTRWUOPL-RBUKOAKNSA-N 2 0 332.488 2.276 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663628824 471453093 /nfs/dbraw/zinc/45/30/93/471453093.db2.gz OOVNPXWRYVYROB-HOTGVXAUSA-N 2 0 338.521 2.477 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659036983 471479135 /nfs/dbraw/zinc/47/91/35/471479135.db2.gz UQAFWZMSQADKLG-MAUKXSAKSA-N 2 0 346.475 2.153 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000669403187 471479792 /nfs/dbraw/zinc/47/97/92/471479792.db2.gz ODHSIRBVSYHHJS-QZTJIDSGSA-N 2 0 326.444 2.233 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000663849613 471547680 /nfs/dbraw/zinc/54/76/80/471547680.db2.gz TVXPWQILHYBCAL-HOTGVXAUSA-N 2 0 336.480 2.398 10 0 EEAERP C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC[NH2+]C1 ZINC000659382976 471600294 /nfs/dbraw/zinc/60/02/94/471600294.db2.gz SFLFLJVNNPDXTP-ICSRJNTNSA-N 2 0 341.499 2.405 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000656153083 471609711 /nfs/dbraw/zinc/60/97/11/471609711.db2.gz NLGQOSASEOILQY-MJKGWSOKSA-N 2 0 332.488 2.371 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1=O ZINC000653570498 471669957 /nfs/dbraw/zinc/66/99/57/471669957.db2.gz QTZQTRKEFCOIAN-SJLPKXTDSA-N 2 0 325.456 2.455 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000665285186 471989681 /nfs/dbraw/zinc/98/96/81/471989681.db2.gz GDFQIZVGJFUBFH-OAHLLOKOSA-N 2 0 345.487 2.358 10 0 EEAERP c1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n(-c2ccccc2)n1 ZINC000662293455 472059065 /nfs/dbraw/zinc/05/90/65/472059065.db2.gz LIVKMIDIDRLWDS-KRWDZBQOSA-N 2 0 325.460 2.479 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662752108 472234900 /nfs/dbraw/zinc/23/49/00/472234900.db2.gz PLPIKLWADAFOLE-UHFFFAOYSA-N 2 0 336.480 2.356 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000662868657 472283914 /nfs/dbraw/zinc/28/39/14/472283914.db2.gz NUWKYKGUFPIBGP-MNEFBYGVSA-N 2 0 345.487 2.037 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673704004 485504497 /nfs/dbraw/zinc/50/44/97/485504497.db2.gz WNULKYRXWNSVEM-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651193583 485532652 /nfs/dbraw/zinc/53/26/52/485532652.db2.gz AMGBVGCESPHSRH-IAGOWNOFSA-N 2 0 326.529 2.336 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3c[nH]nc3C)cn2)CC1 ZINC000679334440 485663396 /nfs/dbraw/zinc/66/33/96/485663396.db2.gz UKELLPYTSHQWSE-CQSZACIVSA-N 2 0 328.464 2.106 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629546361 485732055 /nfs/dbraw/zinc/73/20/55/485732055.db2.gz PGMOTXLBUKETSI-KBPBESRZSA-N 2 0 329.847 2.401 10 0 EEAERP CC(C)[NH+]1CCC(N[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000680636792 486028489 /nfs/dbraw/zinc/02/84/89/486028489.db2.gz SGCDFNSYWLVKDZ-NRFANRHFSA-N 2 0 345.531 2.476 10 0 EEAERP C[NH+](C)CCCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000681783161 486328888 /nfs/dbraw/zinc/32/88/88/486328888.db2.gz VMJHNAUWUCCFAC-IBGZPJMESA-N 2 0 332.492 2.292 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccco1 ZINC000417316985 517642646 /nfs/dbraw/zinc/64/26/46/517642646.db2.gz VMHYZCFCGDNZCT-HOTGVXAUSA-N 2 0 334.464 2.198 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NCC1CC[NH+](C2CC2)CC1 ZINC000416219461 534415825 /nfs/dbraw/zinc/41/58/25/534415825.db2.gz HQZARKCTEKGHBG-UHFFFAOYSA-N 2 0 341.499 2.425 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H](C)C1 ZINC000415947832 527826574 /nfs/dbraw/zinc/82/65/74/527826574.db2.gz SXISSMQKJUAZRL-YOEHRIQHSA-N 2 0 334.464 2.218 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000415947061 528354946 /nfs/dbraw/zinc/35/49/46/528354946.db2.gz VOVKZZJKQOMOAV-HOTGVXAUSA-N 2 0 348.491 2.417 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000192735691 535200122 /nfs/dbraw/zinc/20/01/22/535200122.db2.gz YRUIIOUSLRHOKM-UHFFFAOYSA-N 2 0 333.524 2.011 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765426520 577500816 /nfs/dbraw/zinc/50/08/16/577500816.db2.gz FLSNZDWYOVBBCA-UONOGXRCSA-N 2 0 339.505 2.439 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000741492261 578120215 /nfs/dbraw/zinc/12/02/15/578120215.db2.gz QKNTUVQCUHKGCT-XHSDSOJGSA-N 2 0 326.554 2.007 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cc(C3CC3)nc(C3CC3)n2)C[C@H]1C[NH+](C)C ZINC000894868912 683248563 /nfs/dbraw/zinc/24/85/63/683248563.db2.gz OHNNBULURIDLMZ-IAGOWNOFSA-N 2 0 343.519 2.407 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c2c1OC(F)(F)O2 ZINC000894969807 683437950 /nfs/dbraw/zinc/43/79/50/683437950.db2.gz MILFQASYODLFFM-CHWSQXEVSA-N 2 0 328.359 2.073 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CO1 ZINC000895085070 683803218 /nfs/dbraw/zinc/80/32/18/683803218.db2.gz UWFQNAHHISZXHT-GWCFXTLKSA-N 2 0 328.359 2.337 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C12CCC2 ZINC000925573787 684522890 /nfs/dbraw/zinc/52/28/90/684522890.db2.gz QNLVZTITXKEKPG-ICUGJSFKSA-N 2 0 325.456 2.003 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000895697092 684692164 /nfs/dbraw/zinc/69/21/64/684692164.db2.gz KUMHLHAVBPHERF-SFHVURJKSA-N 2 0 333.476 2.287 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCC[NH+]2CCN(C)CC2)n(C)n1 ZINC000924663906 693102318 /nfs/dbraw/zinc/10/23/18/693102318.db2.gz YCUWDHBDQOJSQH-QUCCMNQESA-N 2 0 347.551 2.057 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000927007154 693144243 /nfs/dbraw/zinc/14/42/43/693144243.db2.gz BPLWSRKAIOPCRK-AAEUAGOBSA-N 2 0 327.270 2.207 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCCc2ccsc2)C1 ZINC001485526341 1191826166 /nfs/dbraw/zinc/82/61/66/1191826166.db2.gz NDLMKIAGHRGOHL-HOTGVXAUSA-N 2 0 349.544 2.459 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485731989 1191921598 /nfs/dbraw/zinc/92/15/98/1191921598.db2.gz AKPHMTRMNLSTCG-HNAYVOBHSA-N 2 0 345.487 2.186 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266441731 1176540893 /nfs/dbraw/zinc/54/08/93/1176540893.db2.gz LMRRTRBWPDSNNZ-PMACEKPBSA-N 2 0 343.515 2.364 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001670456776 1176798780 /nfs/dbraw/zinc/79/87/80/1176798780.db2.gz NVYBTSPGSGTMSG-MSOLQXFVSA-N 2 0 349.906 2.461 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001266699733 1177223040 /nfs/dbraw/zinc/22/30/40/1177223040.db2.gz NRCKVYWIQISSLT-LJQANCHMSA-N 2 0 345.487 2.138 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCCCCF)C1 ZINC001266855724 1177580625 /nfs/dbraw/zinc/58/06/25/1177580625.db2.gz GCTWYJNDHLRBHI-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccc(OCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001480898345 1177737955 /nfs/dbraw/zinc/73/79/55/1177737955.db2.gz LNMOUYXDDBLZJQ-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001266952123 1177885023 /nfs/dbraw/zinc/88/50/23/1177885023.db2.gz CPPGNOZDYMNARO-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CN(CC[NH2+]CCCCc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691321896 1177909331 /nfs/dbraw/zinc/90/93/31/1177909331.db2.gz OJZZWTSQXMNOCT-FQEVSTJZSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001267039849 1178135984 /nfs/dbraw/zinc/13/59/84/1178135984.db2.gz YXOWTENYPTYFLG-KGLIPLIRSA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001267039848 1178136001 /nfs/dbraw/zinc/13/60/01/1178136001.db2.gz YXOWTENYPTYFLG-KBPBESRZSA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001267069721 1178186276 /nfs/dbraw/zinc/18/62/76/1178186276.db2.gz CBXZTZSYHRSQIV-QGZVFWFLSA-N 2 0 337.533 2.459 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267114000 1178274465 /nfs/dbraw/zinc/27/44/65/1178274465.db2.gz WQLHQIGKECJQBS-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1nccs1 ZINC001267163292 1178364647 /nfs/dbraw/zinc/36/46/47/1178364647.db2.gz QCOCLHBIIITWHS-GJZGRUSLSA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CC[C@@H]2CCCCO2)cc1 ZINC001480925099 1178519564 /nfs/dbraw/zinc/51/95/64/1178519564.db2.gz BPQIRCVXZRHNFX-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001267390753 1178956728 /nfs/dbraw/zinc/95/67/28/1178956728.db2.gz UOIWVQVOMZTCAU-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CCC[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001267393404 1178964074 /nfs/dbraw/zinc/96/40/74/1178964074.db2.gz FUSRSTAKNBJCTJ-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2cnccc2C)C1 ZINC001267416486 1178989499 /nfs/dbraw/zinc/98/94/99/1178989499.db2.gz SIAOUFWTURFNCC-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCc2ccccc21)[NH+](C)C ZINC001267430596 1179004574 /nfs/dbraw/zinc/00/45/74/1179004574.db2.gz RQDFIRFNKXXNDY-HKUYNNGSSA-N 2 0 331.504 2.495 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267444765 1179020370 /nfs/dbraw/zinc/02/03/70/1179020370.db2.gz NSEJRTYFDYTHKT-LJQANCHMSA-N 2 0 347.503 2.154 10 0 EEAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1ncccc1C ZINC001480979905 1179417051 /nfs/dbraw/zinc/41/70/51/1179417051.db2.gz BAGJDEUTEKEOLK-KRWDZBQOSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001481055937 1179642472 /nfs/dbraw/zinc/64/24/72/1179642472.db2.gz DSVLKEDTARVAEJ-MSOLQXFVSA-N 2 0 332.492 2.283 10 0 EEAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001267706730 1180224342 /nfs/dbraw/zinc/22/43/42/1180224342.db2.gz QLAGNFNMXJYVIT-RLFYNMQTSA-N 2 0 345.491 2.265 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267772467 1180484474 /nfs/dbraw/zinc/48/44/74/1180484474.db2.gz DKAVDKRFYJDBLZ-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP COCCC[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267857128 1180638670 /nfs/dbraw/zinc/63/86/70/1180638670.db2.gz UITNAMWXQSVMBD-LJQANCHMSA-N 2 0 344.459 2.167 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC001481340593 1181072034 /nfs/dbraw/zinc/07/20/34/1181072034.db2.gz SGXRHNLGOZJLEH-CQSZACIVSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001481490197 1181554250 /nfs/dbraw/zinc/55/42/50/1181554250.db2.gz DAMMAQCPRKHHRZ-IRXDYDNUSA-N 2 0 330.476 2.026 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001268162149 1181874220 /nfs/dbraw/zinc/87/42/20/1181874220.db2.gz JFFRPCZFWQHPPY-CABCVRRESA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CCCC1(F)F ZINC001481682673 1182197566 /nfs/dbraw/zinc/19/75/66/1182197566.db2.gz DZCWDSFTDXDDNL-JYJNAYRXSA-N 2 0 343.462 2.437 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCC(F)(F)F ZINC001481684124 1182203193 /nfs/dbraw/zinc/20/31/93/1182203193.db2.gz FJHGZMFUNOHXSQ-GJZGRUSLSA-N 2 0 347.425 2.490 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268402451 1182506167 /nfs/dbraw/zinc/50/61/67/1182506167.db2.gz IFINRAAINQSHHC-AWEZNQCLSA-N 2 0 348.491 2.268 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)c1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422496 1182587578 /nfs/dbraw/zinc/58/75/78/1182587578.db2.gz CTQXXLATVIHBTQ-OCCSQVGLSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425457 1182592299 /nfs/dbraw/zinc/59/22/99/1182592299.db2.gz GBBMYNLMLPNAHF-FUHWJXTLSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001481823724 1182742983 /nfs/dbraw/zinc/74/29/83/1182742983.db2.gz KQPWDGOXLKHHGE-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@@H]1CCc2ccccc21)[C@@H]1C[NH+]2CCC1CC2 ZINC001268538662 1183199450 /nfs/dbraw/zinc/19/94/50/1183199450.db2.gz LSPRJJHLVIMJRS-JGAFRWBPSA-N 2 0 339.483 2.278 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC001268584245 1183372693 /nfs/dbraw/zinc/37/26/93/1183372693.db2.gz XPMSIDXWPXCUNV-ONEGZZNKSA-N 2 0 337.414 2.069 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001482160362 1183484370 /nfs/dbraw/zinc/48/43/70/1183484370.db2.gz DOZBJKOAESYYGS-HZPDHXFCSA-N 2 0 345.487 2.194 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc2ccccc2o1 ZINC001482160881 1183484524 /nfs/dbraw/zinc/48/45/24/1183484524.db2.gz NNCFTLLIJJAOHA-OAHLLOKOSA-N 2 0 341.455 2.371 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001482164583 1183489933 /nfs/dbraw/zinc/48/99/33/1183489933.db2.gz WEOLMWBHHWSADZ-JSGCOSHPSA-N 2 0 342.434 2.428 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001482173207 1183499919 /nfs/dbraw/zinc/49/99/19/1183499919.db2.gz HLRKBYZWOHWTMQ-CJNGLKHVSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268754165 1183670189 /nfs/dbraw/zinc/67/01/89/1183670189.db2.gz ZQWQHEKQPXOXKU-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP CCc1noc(C)c1C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001268805346 1183725368 /nfs/dbraw/zinc/72/53/68/1183725368.db2.gz YMLWOFZPFAFLLN-UHFFFAOYSA-N 2 0 348.491 2.112 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001269026125 1183905681 /nfs/dbraw/zinc/90/56/81/1183905681.db2.gz PRUDZMHWHZVVAD-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001269292556 1184145648 /nfs/dbraw/zinc/14/56/48/1184145648.db2.gz OCTUEBCATNSBRU-GOSISDBHSA-N 2 0 332.492 2.155 10 0 EEAERP C[C@H](O)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCC1 ZINC001482223329 1184308225 /nfs/dbraw/zinc/30/82/25/1184308225.db2.gz RWWUMUQGOIPLCR-HNNXBMFYSA-N 2 0 339.524 2.039 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC001269903026 1184706914 /nfs/dbraw/zinc/70/69/14/1184706914.db2.gz VRAGIFWDIYEMKI-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482491836 1186281218 /nfs/dbraw/zinc/28/12/18/1186281218.db2.gz CAJZHCDICAPZOS-CRAIPNDOSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C[NH2+]CCF ZINC001271758856 1186464345 /nfs/dbraw/zinc/46/43/45/1186464345.db2.gz IAUKDNLLUYGMAZ-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP O=C(NC[C@H]1CC[C@H](C[NH2+]CCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001271770398 1186472728 /nfs/dbraw/zinc/47/27/28/1186472728.db2.gz NVHZXTWFFQMJSY-QAQDUYKDSA-N 2 0 339.499 2.344 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccn2)C(C)C)C1 ZINC001482551030 1186658061 /nfs/dbraw/zinc/65/80/61/1186658061.db2.gz WDJCGVCWXVQGJK-MJGOQNOKSA-N 2 0 346.519 2.434 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001482694742 1187661400 /nfs/dbraw/zinc/66/14/00/1187661400.db2.gz QQXCNJBQNZXQCP-RTBURBONSA-N 2 0 341.499 2.199 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482815784 1187748774 /nfs/dbraw/zinc/74/87/74/1187748774.db2.gz AMRTXQJKBIJYKR-RHSMWYFYSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)sc1C ZINC001482845096 1187764492 /nfs/dbraw/zinc/76/44/92/1187764492.db2.gz CIOVLSYSRNSVKT-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)CC[NH+](C)C ZINC001482866952 1187786720 /nfs/dbraw/zinc/78/67/20/1187786720.db2.gz DHGQMAYVKPQQKJ-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482870785 1187790739 /nfs/dbraw/zinc/79/07/39/1187790739.db2.gz GWKBONKZYJQVNX-CVEARBPZSA-N 2 0 342.487 2.494 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)C[NH+]1CCCC1 ZINC001482899190 1187810864 /nfs/dbraw/zinc/81/08/64/1187810864.db2.gz MRQNUTYPENREGX-AWEZNQCLSA-N 2 0 331.451 2.392 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1Cl)C(=O)Cc1cncn1C ZINC001482962199 1187895023 /nfs/dbraw/zinc/89/50/23/1187895023.db2.gz GUBUOWPRYRQRTN-UHFFFAOYSA-N 2 0 348.878 2.297 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1cccc(OC)c1)C(=O)C[NH+]1CCCC1 ZINC001482967444 1187904548 /nfs/dbraw/zinc/90/45/48/1187904548.db2.gz RIHCOANIIOUDLL-MRXNPFEDSA-N 2 0 333.476 2.290 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC001483025784 1188025871 /nfs/dbraw/zinc/02/58/71/1188025871.db2.gz YNVQSNFEZBSHCH-YQHFQFMOSA-N 2 0 342.487 2.169 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CCCCC1)[C@H]1CCn2ccnc2C1 ZINC001483028416 1188039746 /nfs/dbraw/zinc/03/97/46/1188039746.db2.gz GMVSESFOACWZSU-BDUNBXCCSA-N 2 0 330.476 2.288 10 0 EEAERP CCc1ccc(CC[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001483043093 1188196475 /nfs/dbraw/zinc/19/64/75/1188196475.db2.gz FNFURSVUYCNGAQ-PHWHVTFISA-N 2 0 329.488 2.148 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001483087924 1188450382 /nfs/dbraw/zinc/45/03/82/1188450382.db2.gz SKOITSVBCBSIHL-KXPUMZMLSA-N 2 0 338.521 2.108 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C/C[NH2+]C[C@H]2CCCOC2)c1 ZINC001483097671 1188472830 /nfs/dbraw/zinc/47/28/30/1188472830.db2.gz LAHPFRJQSYEGHB-OAJJDEHYSA-N 2 0 345.487 2.050 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483097910 1188473218 /nfs/dbraw/zinc/47/32/18/1188473218.db2.gz NKNXCWFMFCNSMZ-YOVCOIKASA-N 2 0 348.491 2.180 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483097902 1188473653 /nfs/dbraw/zinc/47/36/53/1188473653.db2.gz NKNXCWFMFCNSMZ-JRIJJQDJSA-N 2 0 348.491 2.180 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001272829482 1193567155 /nfs/dbraw/zinc/56/71/55/1193567155.db2.gz KFWLWRVPSMZQCI-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ncoc1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001409295566 1188609103 /nfs/dbraw/zinc/60/91/03/1188609103.db2.gz UXXOVGPHCOOIDZ-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001409343404 1189550297 /nfs/dbraw/zinc/55/02/97/1189550297.db2.gz BWRTXCYLTPJGAO-CABCVRRESA-N 2 0 345.487 2.184 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001409348737 1189556367 /nfs/dbraw/zinc/55/63/67/1189556367.db2.gz FRCCTFHAIJWZGH-GJZGRUSLSA-N 2 0 349.523 2.240 10 0 EEAERP C[NH+]1CCC(NC(=S)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000905629402 1189808063 /nfs/dbraw/zinc/80/80/63/1189808063.db2.gz ZVIGRVVLCUEZBO-UHFFFAOYSA-N 2 0 338.565 2.342 10 0 EEAERP COc1ccncc1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001483240943 1190271269 /nfs/dbraw/zinc/27/12/69/1190271269.db2.gz VJQLOVOREQMKMT-AWEZNQCLSA-N 2 0 345.418 2.397 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284893 1190309752 /nfs/dbraw/zinc/30/97/52/1190309752.db2.gz VRMHAFBCYCRQHT-MAUKXSAKSA-N 2 0 327.472 2.254 10 0 EEAERP C[C@@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410885 1190456950 /nfs/dbraw/zinc/45/69/50/1190456950.db2.gz QQCZLFFMCCPIGQ-KBXCAEBGSA-N 2 0 345.462 2.345 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1cncc(F)c1 ZINC001483421486 1190468207 /nfs/dbraw/zinc/46/82/07/1190468207.db2.gz QLJAGGSIIJZTRU-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccc(F)c(F)c1 ZINC001483422487 1190469070 /nfs/dbraw/zinc/46/90/70/1190469070.db2.gz WUWWPCIQPSNCCK-CYBMUJFWSA-N 2 0 327.419 2.242 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001483466370 1190489923 /nfs/dbraw/zinc/48/99/23/1190489923.db2.gz IIQGBKITMKAUPB-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001483495990 1190512636 /nfs/dbraw/zinc/51/26/36/1190512636.db2.gz PVMMSGPFBZHHAR-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001483605163 1190584097 /nfs/dbraw/zinc/58/40/97/1190584097.db2.gz FMAVVYXQBXRAGM-HXUWFJFHSA-N 2 0 341.499 2.256 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CC2)c(C)c1 ZINC001483605960 1190584459 /nfs/dbraw/zinc/58/44/59/1190584459.db2.gz VOIZLLXGVHQDKK-LJQANCHMSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001272280712 1190738255 /nfs/dbraw/zinc/73/82/55/1190738255.db2.gz MBOGGNCZGLIFMS-WMLDXEAASA-N 2 0 332.423 2.490 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001272652186 1190961707 /nfs/dbraw/zinc/96/17/07/1190961707.db2.gz JWWPOAMQEYWSCJ-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP COCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001483800708 1191042382 /nfs/dbraw/zinc/04/23/82/1191042382.db2.gz BFDDYOLFHPWOAN-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917859 1191116118 /nfs/dbraw/zinc/11/61/18/1191116118.db2.gz YYXVXLDCLIKTII-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]Cc1cncs1)CC(C)(C)C ZINC001483945331 1191126957 /nfs/dbraw/zinc/12/69/57/1191126957.db2.gz ULWYTBXYCXOQHL-AWEZNQCLSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccnc2)C2CCCC2)CC[N@@H+]1C ZINC001484002291 1191151534 /nfs/dbraw/zinc/15/15/34/1191151534.db2.gz TZWMRFFSIWSZTH-LZQZEXGQSA-N 2 0 344.503 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001484124211 1191223088 /nfs/dbraw/zinc/22/30/88/1191223088.db2.gz GKQNDTKDMRAWCX-ZBFHGGJFSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001484160082 1191248635 /nfs/dbraw/zinc/24/86/35/1191248635.db2.gz BQADFGAOFKEJHW-SZVBFZGTSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H](C)F)CCC1(F)F ZINC001484197536 1191269015 /nfs/dbraw/zinc/26/90/15/1191269015.db2.gz ISBIIHORNBLUQF-UONOGXRCSA-N 2 0 337.430 2.148 10 0 EEAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H](C)F)CCC1(F)F ZINC001484197537 1191269110 /nfs/dbraw/zinc/26/91/10/1191269110.db2.gz ISBIIHORNBLUQF-ZIAGYGMSSA-N 2 0 337.430 2.148 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001484467264 1191371417 /nfs/dbraw/zinc/37/14/17/1191371417.db2.gz DYNRSXZDPUDNBY-RTBURBONSA-N 2 0 344.503 2.296 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001484571985 1191424715 /nfs/dbraw/zinc/42/47/15/1191424715.db2.gz PPKQDZXNJHTRPJ-SAABIXHNSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)[C@@H](C)c2cnccn2)CC[N@@H+]1C ZINC001484743022 1191494941 /nfs/dbraw/zinc/49/49/41/1191494941.db2.gz BBUCZBXEUYXXDJ-XYJFISCASA-N 2 0 347.507 2.048 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485158339 1191673787 /nfs/dbraw/zinc/67/37/87/1191673787.db2.gz ZFFCZDQWGDGXOC-STQMWFEESA-N 2 0 339.430 2.432 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001485357183 1191761510 /nfs/dbraw/zinc/76/15/10/1191761510.db2.gz IVVJOEUHCGFKCK-MRXNPFEDSA-N 2 0 346.519 2.367 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC001486159923 1193705946 /nfs/dbraw/zinc/70/59/46/1193705946.db2.gz LJOPSHIFOVPLJQ-ICSRJNTNSA-N 2 0 349.519 2.011 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cc(C)no1)CC2 ZINC001486159687 1193706197 /nfs/dbraw/zinc/70/61/97/1193706197.db2.gz JLVHPUPGDGFLGX-IEBWSBKVSA-N 2 0 348.491 2.328 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001486214146 1193753851 /nfs/dbraw/zinc/75/38/51/1193753851.db2.gz GDGUIHTVUOIVMC-LGYZJQKYSA-N 2 0 327.900 2.345 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC[C@H]2CCCO2)C(C)(C)C)CCC1 ZINC001486398169 1193898000 /nfs/dbraw/zinc/89/80/00/1193898000.db2.gz DHCGIEFOBQVIPW-CVEARBPZSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@H]1CCCCO1)C(C)(C)C ZINC001486425380 1193939830 /nfs/dbraw/zinc/93/98/30/1193939830.db2.gz ZGLKQGDWSUWKSD-CVEARBPZSA-N 2 0 327.513 2.016 10 0 EEAERP CCOCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001486471084 1193991440 /nfs/dbraw/zinc/99/14/40/1193991440.db2.gz MUGOQWLXBKGZQU-UHFFFAOYSA-N 2 0 339.524 2.255 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CCCCCF)CC2)C1 ZINC001486519201 1194039447 /nfs/dbraw/zinc/03/94/47/1194039447.db2.gz PKNQCBVQAXTUIB-KRWDZBQOSA-N 2 0 325.472 2.216 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CN(Cc2cccc(F)c2)CC1(C)C)[NH+](C)C ZINC001410017240 1197279224 /nfs/dbraw/zinc/27/92/24/1197279224.db2.gz JEIMCJSAZPJCPO-SJORKVTESA-N 2 0 335.467 2.493 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]32)CC1 ZINC001410117033 1197555225 /nfs/dbraw/zinc/55/52/25/1197555225.db2.gz RNMWRDDCZRBMKB-NNZMDNLPSA-N 2 0 347.528 2.274 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001410377437 1197771334 /nfs/dbraw/zinc/77/13/34/1197771334.db2.gz FXBKEKAVFFWTKB-YJBOKZPZSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001410390752 1197790786 /nfs/dbraw/zinc/79/07/86/1197790786.db2.gz XFQVLGVJHDUCSK-HDMKZQKVSA-N 2 0 342.487 2.445 10 0 EEAERP C[C@@H](CN(C)C(=O)Cc1ncc[nH]1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001410473237 1198008479 /nfs/dbraw/zinc/00/84/79/1198008479.db2.gz SUVFWDKKCKGHQC-MEDUHNTESA-N 2 0 348.397 2.354 10 0 EEAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872151435 1198058936 /nfs/dbraw/zinc/05/89/36/1198058936.db2.gz WGQRZJIBIYEFKB-KGLIPLIRSA-N 2 0 341.377 2.035 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1F ZINC001410506061 1198063489 /nfs/dbraw/zinc/06/34/89/1198063489.db2.gz YBBBJSLAVFWKRD-ZIAGYGMSSA-N 2 0 339.430 2.243 10 0 EEAERP COc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001410510570 1198066957 /nfs/dbraw/zinc/06/69/57/1198066957.db2.gz NIDNUGAWCTUSNM-CQSZACIVSA-N 2 0 339.455 2.111 10 0 EEAERP C[C@@H](CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257718 1198114607 /nfs/dbraw/zinc/11/46/07/1198114607.db2.gz VBOHIWBQCDLOQX-OWLYRPNTSA-N 2 0 329.444 2.047 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C(C)(C)C1 ZINC001411067992 1198750860 /nfs/dbraw/zinc/75/08/60/1198750860.db2.gz BJENDHXBHUCXQM-QGZVFWFLSA-N 2 0 349.523 2.132 10 0 EEAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001411252532 1198976777 /nfs/dbraw/zinc/97/67/77/1198976777.db2.gz NNBJZSSRKJLZLU-PMHFQKNISA-N 2 0 327.472 2.231 10 0 EEAERP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875339280 1199215006 /nfs/dbraw/zinc/21/50/06/1199215006.db2.gz GKLLGGSPURXYHW-ILOCAZANSA-N 2 0 338.540 2.192 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\Sc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870016644 1200408971 /nfs/dbraw/zinc/40/89/71/1200408971.db2.gz SHIXMZLBNVPMTK-SCEITDHKSA-N 2 0 347.528 2.490 10 0 EEAERP Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020332 1200410832 /nfs/dbraw/zinc/41/08/32/1200410832.db2.gz MNDDUEPRYAVFIY-QBPKDAKJSA-N 2 0 349.544 2.358 10 0 EEAERP CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021178 1200411532 /nfs/dbraw/zinc/41/15/32/1200411532.db2.gz BXPCOWBUSFWXBL-XUVXKRRUSA-N 2 0 345.531 2.453 10 0 EEAERP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000870908066 1200945817 /nfs/dbraw/zinc/94/58/17/1200945817.db2.gz UETYKUFQUUTHMR-QPIRBTGLSA-N 2 0 327.472 2.252 10 0 EEAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000866517128 1201537721 /nfs/dbraw/zinc/53/77/21/1201537721.db2.gz XFXRVDNTDJIPEB-BZOOQXSSSA-N 2 0 339.505 2.248 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000866558805 1201548226 /nfs/dbraw/zinc/54/82/26/1201548226.db2.gz VINYROXBWWOYIT-YSIASYRMSA-N 2 0 331.504 2.268 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000866706653 1201585553 /nfs/dbraw/zinc/58/55/53/1201585553.db2.gz BXBGOVYVAWADDQ-YTQUADARSA-N 2 0 337.423 2.207 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000139755695 1204188207 /nfs/dbraw/zinc/18/82/07/1204188207.db2.gz GYVDWHHLTVZMGP-SFHVURJKSA-N 2 0 346.544 2.209 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2cnc(Cl)s2)CCC1 ZINC001274089700 1204364745 /nfs/dbraw/zinc/36/47/45/1204364745.db2.gz RJNKJVYUMHTUDJ-ONEGZZNKSA-N 2 0 342.896 2.043 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCO1)[NH+]1CCCCCC1 ZINC001274412020 1205026118 /nfs/dbraw/zinc/02/61/18/1205026118.db2.gz CCYXCUXYOSWRPS-KKSLTYSGSA-N 2 0 337.508 2.082 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCCCOC)CC[N@@H+]1C ZINC001275108335 1205258214 /nfs/dbraw/zinc/25/82/14/1205258214.db2.gz LBDJOEKOODZKCA-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)Cc1ccnc(Cl)c1 ZINC001275690840 1205486344 /nfs/dbraw/zinc/48/63/44/1205486344.db2.gz XVOTZHLWKJDHLI-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275710007 1205493458 /nfs/dbraw/zinc/49/34/58/1205493458.db2.gz NXUCUIQHBPJVIN-QGZVFWFLSA-N 2 0 333.467 2.243 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001276002399 1205629376 /nfs/dbraw/zinc/62/93/76/1205629376.db2.gz PZEBQXACYUMNLH-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP CN(CCC[NH2+]Cc1cc(C2CC2)no1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276169177 1205811604 /nfs/dbraw/zinc/81/16/04/1205811604.db2.gz XWMNADSBKNECCE-UHFFFAOYSA-N 2 0 348.491 2.365 10 0 EEAERP C[C@H]1COC[C@H](C)C1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924568696 1205997075 /nfs/dbraw/zinc/99/70/75/1205997075.db2.gz BZWJPGCYWRGRKH-ROUUACIJSA-N 2 0 331.504 2.065 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)ccn2)CC1 ZINC000924690044 1206018376 /nfs/dbraw/zinc/01/83/76/1206018376.db2.gz MPLPJBSLCLIZDC-ICSRJNTNSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326828 1206097730 /nfs/dbraw/zinc/09/77/30/1206097730.db2.gz NHIZITZWEFZXGI-SCTDSRPQSA-N 2 0 344.503 2.385 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000925327509 1206097767 /nfs/dbraw/zinc/09/77/67/1206097767.db2.gz GCMIFKBRMVIDBG-AEFFLSMTSA-N 2 0 332.492 2.161 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343657 1206100105 /nfs/dbraw/zinc/10/01/05/1206100105.db2.gz WPLKNFJUXIIWEQ-LMMKCTJWSA-N 2 0 344.503 2.243 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925512496 1206121215 /nfs/dbraw/zinc/12/12/15/1206121215.db2.gz DGXFMTJCULNEIK-YSTOQKLRSA-N 2 0 343.515 2.254 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C12CCC2 ZINC000925566852 1206129177 /nfs/dbraw/zinc/12/91/77/1206129177.db2.gz GZRPOEMKXKGEKF-NWANDNLSSA-N 2 0 344.377 2.305 10 0 EEAERP CC1(C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620658 1206136445 /nfs/dbraw/zinc/13/64/45/1206136445.db2.gz WSDDKPJBBOZLRB-ZSXDVEMLSA-N 2 0 335.536 2.121 10 0 EEAERP CC1(C)[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925633189 1206138124 /nfs/dbraw/zinc/13/81/24/1206138124.db2.gz BXGQOLWVTFDZSK-ZGXWSNOMSA-N 2 0 343.515 2.119 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)ccn1 ZINC000925651855 1206140388 /nfs/dbraw/zinc/14/03/88/1206140388.db2.gz BBPWOHMQJNUIGZ-ZWKOTPCHSA-N 2 0 332.492 2.129 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000925768605 1206152151 /nfs/dbraw/zinc/15/21/51/1206152151.db2.gz KJDILDLXQGOYMU-HRCADAONSA-N 2 0 326.481 2.103 10 0 EEAERP Cc1c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cnn1-c1ccccc1 ZINC000925809537 1206156459 /nfs/dbraw/zinc/15/64/59/1206156459.db2.gz KGIWUCHTUWGUDF-HNNXBMFYSA-N 2 0 327.476 2.254 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC12CC[NH2+]CC2 ZINC000925852539 1206160985 /nfs/dbraw/zinc/16/09/85/1206160985.db2.gz VVSSMPSOQBJSHH-XQQFMLRXSA-N 2 0 334.382 2.382 10 0 EEAERP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925856098 1206161698 /nfs/dbraw/zinc/16/16/98/1206161698.db2.gz PLBJBBSFKRMGGT-UKRRQHHQSA-N 2 0 348.443 2.040 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000925913060 1206167373 /nfs/dbraw/zinc/16/73/73/1206167373.db2.gz OKIUBOMSXMXJBI-CVEARBPZSA-N 2 0 345.491 2.077 10 0 EEAERP CC(C)[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000925920364 1206168744 /nfs/dbraw/zinc/16/87/44/1206168744.db2.gz UQQARHQJZAILSC-ZWKOTPCHSA-N 2 0 347.507 2.056 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000926125032 1206195484 /nfs/dbraw/zinc/19/54/84/1206195484.db2.gz JUTJORBMHYNKKK-HWPVKAJDSA-N 3 0 343.515 2.073 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000926224296 1206205610 /nfs/dbraw/zinc/20/56/10/1206205610.db2.gz MFWGRNAUCWPSPP-SJPCQFCGSA-N 2 0 335.492 2.483 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000926326214 1206213809 /nfs/dbraw/zinc/21/38/09/1206213809.db2.gz PMJVRLRTBIRAMX-RTBURBONSA-N 2 0 330.472 2.436 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000930663808 1206573827 /nfs/dbraw/zinc/57/38/27/1206573827.db2.gz PGFAFNJFUQTUOG-SFHVURJKSA-N 2 0 347.503 2.004 10 0 EEAERP CN(c1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1)C1CC[NH+](C)CC1 ZINC000900287548 1234162063 /nfs/dbraw/zinc/16/20/63/1234162063.db2.gz LFPVNNUMXYMXIU-UHFFFAOYSA-N 2 0 342.487 2.251 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)C1 ZINC000903048907 1239616774 /nfs/dbraw/zinc/61/67/74/1239616774.db2.gz YEIMBWUPYKJGFN-HQZQWKOLSA-N 2 0 342.483 2.156 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(C)nc3ccccc13)C2 ZINC000903493217 1240661749 /nfs/dbraw/zinc/66/17/49/1240661749.db2.gz PLEJJJQTSDICLK-YRNRMSPPSA-N 2 0 339.439 2.256 10 0 EEAERP Fc1cccc(OCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903509343 1240733428 /nfs/dbraw/zinc/73/34/28/1240733428.db2.gz FPLLHDMHJORKBR-HDICACEKSA-N 2 0 333.451 2.105 10 0 EEAERP C[C@@H]1CCCC[C@@H]1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511240 1240743182 /nfs/dbraw/zinc/74/31/82/1240743182.db2.gz YNITUTVGJCAPDT-LMCOJAPRSA-N 2 0 335.536 2.482 10 0 EEAERP Cc1cccc(OCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903511749 1240745106 /nfs/dbraw/zinc/74/51/06/1240745106.db2.gz YAWIYDUECMJWTD-KDURUIRLSA-N 2 0 329.488 2.274 10 0 EEAERP CC(C)[NH+]1CCN(CCCOC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000803854371 1242087815 /nfs/dbraw/zinc/08/78/15/1242087815.db2.gz PCYVIOIUHYSRRV-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903876145 1242275732 /nfs/dbraw/zinc/27/57/32/1242275732.db2.gz DMOBHVMBCODWLO-MRXNPFEDSA-N 2 0 344.459 2.097 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947541 1242659101 /nfs/dbraw/zinc/65/91/01/1242659101.db2.gz AFJKQNBWKRQSLP-KSSFIOAISA-N 2 0 327.476 2.381 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000827366081 1247956727 /nfs/dbraw/zinc/95/67/27/1247956727.db2.gz YXHTZFDWEBMXQQ-WFASDCNBSA-N 2 0 338.883 2.281 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001491030532 1258587317 /nfs/dbraw/zinc/58/73/17/1258587317.db2.gz XWFADAMPYFADMU-MJBXVCDLSA-N 2 0 335.414 2.440 10 0 EEAERP C[N@H+](CC(=O)NC1CCC([NH2+]C[C@@H]2CCOC2)CC1)CC(C)(C)C ZINC001491364131 1258995789 /nfs/dbraw/zinc/99/57/89/1258995789.db2.gz RMOAZMFXSUCDAT-GTPINHCMSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(NC1CCC([NH2+]CCCF)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001491371039 1259012084 /nfs/dbraw/zinc/01/20/84/1259012084.db2.gz LGWSZMCUBJUUPL-UHFFFAOYSA-N 2 0 339.499 2.485 10 0 EEAERP C[C@@H]([NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1)c1cnccn1 ZINC001491371176 1259012246 /nfs/dbraw/zinc/01/22/46/1259012246.db2.gz ORPLWSQONXGRBA-KLAILNCOSA-N 2 0 347.507 2.287 10 0 EEAERP CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001267885425 1276741298 /nfs/dbraw/zinc/74/12/98/1276741298.db2.gz ROIDLKADNKBCKO-RHSMWYFYSA-N 2 0 333.480 2.028 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[NH+]1CCCCC1 ZINC000850760245 1277331699 /nfs/dbraw/zinc/33/16/99/1277331699.db2.gz XGBRRFVUTMNOLJ-CRAIPNDOSA-N 2 0 346.475 2.343 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)c1 ZINC001490165703 1290992702 /nfs/dbraw/zinc/99/27/02/1290992702.db2.gz WOTJUMPOVBIDSM-MAUKXSAKSA-N 2 0 333.476 2.289 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001490618140 1291528082 /nfs/dbraw/zinc/52/80/82/1291528082.db2.gz CXLPOSNABBQJQD-AEFFLSMTSA-N 2 0 339.524 2.209 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC001490739058 1291650958 /nfs/dbraw/zinc/65/09/58/1291650958.db2.gz DJLBCUVOUAHPJQ-KRWDZBQOSA-N 2 0 337.414 2.045 10 0 EEAERP CCCCCC[C@](O)(C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000851810784 1291853164 /nfs/dbraw/zinc/85/31/64/1291853164.db2.gz MWGBRNDBPQATAI-IBGZPJMESA-N 2 0 349.475 2.078 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3ccnc3)C2)ccn1 ZINC000856604382 1293579911 /nfs/dbraw/zinc/57/99/11/1293579911.db2.gz WDOWTDNLLCYCGW-LJQANCHMSA-N 2 0 343.475 2.272 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857864848 1293934424 /nfs/dbraw/zinc/93/44/24/1293934424.db2.gz JTFLBQVMUKHVFZ-ROUUACIJSA-N 2 0 326.444 2.144 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000861630451 1295481915 /nfs/dbraw/zinc/48/19/15/1295481915.db2.gz SEOIWLVZJRGPHX-POAQFYNOSA-N 2 0 344.503 2.338 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@]2(O)CCOC3(CC[NH2+]CC3)C2)cc1C ZINC000409420715 1298009456 /nfs/dbraw/zinc/00/94/56/1298009456.db2.gz FPBJSBXMMALJML-LJQANCHMSA-N 2 0 348.487 2.099 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001491271997 1299655040 /nfs/dbraw/zinc/65/50/40/1299655040.db2.gz VBVRRAHSBIKQQW-QGZVFWFLSA-N 2 0 336.455 2.032 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCc2ccccc2)C1 ZINC001279208960 1301726219 /nfs/dbraw/zinc/72/62/19/1301726219.db2.gz MOKHMCNPQCTWGN-ACBHZAAOSA-N 2 0 329.488 2.292 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001277748229 1304328766 /nfs/dbraw/zinc/32/87/66/1304328766.db2.gz MWNBWMUKDDWFOU-ZBFHGGJFSA-N 2 0 344.459 2.262 10 0 EEAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001277938162 1305199534 /nfs/dbraw/zinc/19/95/34/1305199534.db2.gz PBIJSSBHYANEKW-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@H]1C ZINC001278307137 1309233317 /nfs/dbraw/zinc/23/33/17/1309233317.db2.gz BMMOBXYJTHAPFG-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCOCc1ccccc1 ZINC001278520039 1317128351 /nfs/dbraw/zinc/12/83/51/1317128351.db2.gz BSODZGNZNMPVQV-PKOBYXMFSA-N 2 0 347.503 2.124 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CCC1CC1 ZINC001265036630 1322878828 /nfs/dbraw/zinc/87/88/28/1322878828.db2.gz HPLCRLOWFZCYMY-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C[C@@H]1CC(C)(C)CO1 ZINC001265120062 1322930606 /nfs/dbraw/zinc/93/06/06/1322930606.db2.gz ZITUYRODIBQRPV-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001265164327 1322958835 /nfs/dbraw/zinc/95/88/35/1322958835.db2.gz DIOSZWYQRSPPOU-UHFFFAOYSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265318713 1323067971 /nfs/dbraw/zinc/06/79/71/1323067971.db2.gz BSFNWAAJTOQTMH-IBGZPJMESA-N 2 0 347.503 2.225 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1cccnc1 ZINC001265872131 1323445088 /nfs/dbraw/zinc/44/50/88/1323445088.db2.gz PFYDOAIQHWDDKP-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@H](C)c1cnccn1 ZINC001266042689 1323592617 /nfs/dbraw/zinc/59/26/17/1323592617.db2.gz LPRQRWSHVXMWAN-SJLPKXTDSA-N 2 0 347.507 2.239 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC001266174504 1323741604 /nfs/dbraw/zinc/74/16/04/1323741604.db2.gz KNHHHWITBCVFHQ-KURKYZTESA-N 2 0 333.520 2.489 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001280263802 1324134129 /nfs/dbraw/zinc/13/41/29/1324134129.db2.gz MRJOUOANMHFPBR-VQIMIIECSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001280295727 1324147121 /nfs/dbraw/zinc/14/71/21/1324147121.db2.gz KQZQQSOGOLHJNJ-FQEVSTJZSA-N 2 0 343.515 2.462 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001281455903 1325119599 /nfs/dbraw/zinc/11/95/99/1325119599.db2.gz AKQSYRZPQHTEMS-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001282274032 1325674215 /nfs/dbraw/zinc/67/42/15/1325674215.db2.gz CWIRXEUHMJQDRP-UHFFFAOYSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1cccc(Cl)n1 ZINC001282450757 1325724539 /nfs/dbraw/zinc/72/45/39/1325724539.db2.gz WHYQXZKBGGQNEG-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC001283174065 1325944495 /nfs/dbraw/zinc/94/44/95/1325944495.db2.gz PSAPFNZZTSBBRL-SUMWQHHRSA-N 2 0 348.491 2.008 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001283939547 1326329268 /nfs/dbraw/zinc/32/92/68/1326329268.db2.gz MVEFEGAYBIMLNO-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP CCOCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001284553452 1326608520 /nfs/dbraw/zinc/60/85/20/1326608520.db2.gz LZFQDHHWCZGAEC-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CCC(F)(F)F)CC2)CC1 ZINC001284967568 1326799450 /nfs/dbraw/zinc/79/94/50/1326799450.db2.gz GASKRJOQHMZNPA-UHFFFAOYSA-N 2 0 347.425 2.419 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001491640154 1330194112 /nfs/dbraw/zinc/19/41/12/1330194112.db2.gz IRLASEMTCODINO-OAHLLOKOSA-N 2 0 327.472 2.254 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491772704 1330250423 /nfs/dbraw/zinc/25/04/23/1330250423.db2.gz XUGVMUKFEGEYRH-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491887486 1330290119 /nfs/dbraw/zinc/29/01/19/1330290119.db2.gz YRBOHKYNLQMDSD-IRXDYDNUSA-N 2 0 333.476 2.164 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001492128749 1330981609 /nfs/dbraw/zinc/98/16/09/1330981609.db2.gz DOPQHIGRTWFFCE-CYBMUJFWSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CCCC[N@H+]2C)on1 ZINC001492158068 1331021744 /nfs/dbraw/zinc/02/17/44/1331021744.db2.gz OEOPSPSILGMUPN-FUHWJXTLSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC001492178771 1331057994 /nfs/dbraw/zinc/05/79/94/1331057994.db2.gz RCBIVZOMCCYCKR-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001316789739 1331895054 /nfs/dbraw/zinc/89/50/54/1331895054.db2.gz FWRXDGNSTNVAHK-MHORFTMASA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+]1CCC(CC(=O)NCCC[C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001317430773 1332234469 /nfs/dbraw/zinc/23/44/69/1332234469.db2.gz AYESFTFQMXKTFP-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317949350 1332449275 /nfs/dbraw/zinc/44/92/75/1332449275.db2.gz GTFWUOSCOZUORS-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001318413274 1332528237 /nfs/dbraw/zinc/52/82/37/1332528237.db2.gz NGWLRYRIAFJZCH-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001318483068 1332548292 /nfs/dbraw/zinc/54/82/92/1332548292.db2.gz AUFANVZAGICJBT-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001318485263 1332550023 /nfs/dbraw/zinc/55/00/23/1332550023.db2.gz PQASATDMFGTSAM-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001318485260 1332550131 /nfs/dbraw/zinc/55/01/31/1332550131.db2.gz PQASATDMFGTSAM-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(C)c1 ZINC001318602008 1332566426 /nfs/dbraw/zinc/56/64/26/1332566426.db2.gz FKCICUGVLCVTGH-RTBURBONSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC2(C[NH2+]CCCF)CCCC2)CC1 ZINC001318663383 1332574077 /nfs/dbraw/zinc/57/40/77/1332574077.db2.gz HXHPVJUZJCKUDP-UHFFFAOYSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001318831848 1332606731 /nfs/dbraw/zinc/60/67/31/1332606731.db2.gz YMVAVXCJFTXQCD-NVXWUHKLSA-N 2 0 348.491 2.043 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001318843753 1332609427 /nfs/dbraw/zinc/60/94/27/1332609427.db2.gz TUZLZBLYEQWPIF-KRWDZBQOSA-N 2 0 347.503 2.227 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001318995944 1332634472 /nfs/dbraw/zinc/63/44/72/1332634472.db2.gz KERYWVZBILBWEC-RTBURBONSA-N 2 0 345.487 2.056 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOC(C)C)C1 ZINC001319102411 1332649836 /nfs/dbraw/zinc/64/98/36/1332649836.db2.gz WLGAJHDHXAWYMJ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2CC[NH2+]CCCF)CC1 ZINC001319777409 1332765171 /nfs/dbraw/zinc/76/51/71/1332765171.db2.gz GKCDZURBIIXGRB-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319789694 1332768375 /nfs/dbraw/zinc/76/83/75/1332768375.db2.gz AGPUTEBHRKKVJF-WBVHZDCISA-N 2 0 348.491 2.050 10 0 EEAERP CCCC[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001319930622 1332799171 /nfs/dbraw/zinc/79/91/71/1332799171.db2.gz WNRLKUBQWCNHDC-KRWDZBQOSA-N 2 0 329.448 2.411 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643960 1332927890 /nfs/dbraw/zinc/92/78/90/1332927890.db2.gz ICKJQHMHXYOADD-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1)[NH+]1CCCC1 ZINC001320646015 1332928476 /nfs/dbraw/zinc/92/84/76/1332928476.db2.gz VNMZGKYAGXXYKQ-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320819459 1332959508 /nfs/dbraw/zinc/95/95/08/1332959508.db2.gz JEQPEDTVLNGAKG-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP CCN(CCNCc1nocc1C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320862293 1332966753 /nfs/dbraw/zinc/96/67/53/1332966753.db2.gz IROYSSDXMUIZKK-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320928655 1332980848 /nfs/dbraw/zinc/98/08/48/1332980848.db2.gz LEEVBIAORPKNLG-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320928107 1332981017 /nfs/dbraw/zinc/98/10/17/1332981017.db2.gz GFFPQNSUQCGHDT-IYBDPMFKSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321107324 1333020969 /nfs/dbraw/zinc/02/09/69/1333020969.db2.gz NIOHDDNPBJZRAW-MJRGOJFPSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)c2ccc3c[nH+]cn3c2C)c1 ZINC001321123251 1333024782 /nfs/dbraw/zinc/02/47/82/1333024782.db2.gz AMKSIPFADDHBTH-ARJAWSKDSA-N 2 0 349.438 2.422 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c2cnccn2)C1 ZINC001322658097 1333302285 /nfs/dbraw/zinc/30/22/85/1333302285.db2.gz RZDFTRGPZUUZNJ-SJORKVTESA-N 2 0 347.507 2.098 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1oc(C)nc1C ZINC001322852398 1333341251 /nfs/dbraw/zinc/34/12/51/1333341251.db2.gz NYSQFUXFTSYRID-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCOc1ccccc1)C1CC1 ZINC001323022004 1333370775 /nfs/dbraw/zinc/37/07/75/1333370775.db2.gz HTFUVSQYAUIQFP-OALUTQOASA-N 2 0 345.487 2.034 10 0 EEAERP C[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1)C1CCC1 ZINC001324483875 1333692711 /nfs/dbraw/zinc/69/27/11/1333692711.db2.gz UHNONEFUTBXYBK-MGDKSHQASA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001326351015 1334074543 /nfs/dbraw/zinc/07/45/43/1334074543.db2.gz UETLJMKNIYEEGG-ZNMIVQPWSA-N 2 0 349.441 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001327942211 1334367623 /nfs/dbraw/zinc/36/76/23/1334367623.db2.gz UEKUHOQYAKGATR-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP COCC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001328007077 1334377912 /nfs/dbraw/zinc/37/79/12/1334377912.db2.gz MWCZLGGBLUTQSA-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP Cn1nccc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001329940168 1334745606 /nfs/dbraw/zinc/74/56/06/1334745606.db2.gz XIOQGZYZALCOCY-QGZVFWFLSA-N 2 0 349.523 2.013 10 0 EEAERP CCc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001331535531 1335032621 /nfs/dbraw/zinc/03/26/21/1335032621.db2.gz UGINCCSLLDUFMP-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C/C=C/Cl)cc2F)C1 ZINC001333478946 1336056339 /nfs/dbraw/zinc/05/63/39/1336056339.db2.gz GJFSIHNWBPNUPO-XCWSRWAASA-N 2 0 339.842 2.236 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC001434325147 1341829329 /nfs/dbraw/zinc/82/93/29/1341829329.db2.gz YSLFGVQNDVYJSS-IRXDYDNUSA-N 2 0 330.476 2.239 10 0 EEAERP COCCCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001500293722 1342140753 /nfs/dbraw/zinc/14/07/53/1342140753.db2.gz ZQSWLIAKOQZGHP-FQEVSTJZSA-N 2 0 347.503 2.369 10 0 EEAERP CCC1([NH2+]CCOC2CCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001502503053 1342199791 /nfs/dbraw/zinc/19/97/91/1342199791.db2.gz ABXGLXKLXCGRLD-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]Cc1sccc1Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496735 1342769654 /nfs/dbraw/zinc/76/96/54/1342769654.db2.gz VVPOSOBBGMYTOP-ZDUSSCGKSA-N 2 0 341.908 2.291 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001567523082 1342777980 /nfs/dbraw/zinc/77/79/80/1342777980.db2.gz QKCKLAGBZXILAW-UHFFFAOYSA-N 2 0 341.415 2.109 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2ccc(C)cc2)C[C@@H]1C ZINC001676775861 1357198180 /nfs/dbraw/zinc/19/81/80/1357198180.db2.gz VTXGNBQGZNWSPN-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP COCCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677262677 1357303095 /nfs/dbraw/zinc/30/30/95/1357303095.db2.gz BGWHNWUOGVMHRC-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001677598533 1357368018 /nfs/dbraw/zinc/36/80/18/1357368018.db2.gz HIIXJLCPWBDADV-UHFFFAOYSA-N 2 0 345.487 2.074 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21)C1CCCCC1 ZINC001646933135 1353055446 /nfs/dbraw/zinc/05/54/46/1353055446.db2.gz UKVZWNPWSUGCJP-MHORFTMASA-N 2 0 336.524 2.136 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001646962860 1353075984 /nfs/dbraw/zinc/07/59/84/1353075984.db2.gz KGJLOXCUVZSCBS-RCCFBDPRSA-N 2 0 336.524 2.090 10 0 EEAERP Cc1cccn2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)nc12 ZINC001647413197 1353268776 /nfs/dbraw/zinc/26/87/76/1353268776.db2.gz UAAVQOYNDRWYQV-KDURUIRLSA-N 2 0 339.487 2.043 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001649314787 1353474462 /nfs/dbraw/zinc/47/44/62/1353474462.db2.gz UDPNVTLQAFMTNU-KZNAEPCWSA-N 2 0 348.535 2.377 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2nc3ccccc3o2)CC[N@@H+]1C ZINC001660147101 1354404196 /nfs/dbraw/zinc/40/41/96/1354404196.db2.gz XTKQPNKXGRTAKE-HUUCEWRRSA-N 2 0 344.459 2.106 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cnccc1C ZINC001660546118 1354486147 /nfs/dbraw/zinc/48/61/47/1354486147.db2.gz SNZILXNEFOQLMQ-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1oncc1C[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001660752586 1354531843 /nfs/dbraw/zinc/53/18/43/1354531843.db2.gz BQQOIDNLWZAKQW-GJZGRUSLSA-N 2 0 348.491 2.327 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC/C=C\c3ccccc3)C2)C1 ZINC001661375057 1354632721 /nfs/dbraw/zinc/63/27/21/1354632721.db2.gz SSRUQAPZRXEWRF-KHMSUIGKSA-N 2 0 327.472 2.232 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CC3(Cl)Cl)C2)CCC1 ZINC001661434873 1354638302 /nfs/dbraw/zinc/63/83/02/1354638302.db2.gz BXASGGBXZVZKOH-JHJVBQTASA-N 2 0 348.318 2.291 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001661833078 1354705679 /nfs/dbraw/zinc/70/56/79/1354705679.db2.gz VQIIZIJXJGYPMW-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001661861279 1354711820 /nfs/dbraw/zinc/71/18/20/1354711820.db2.gz KPKUCRXDEUSGJX-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001662130220 1354753231 /nfs/dbraw/zinc/75/32/31/1354753231.db2.gz UDGLKUXXLOZGTB-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662779709 1354845176 /nfs/dbraw/zinc/84/51/76/1354845176.db2.gz POOPVGZJZBAMNS-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)NC2(C[NH2+]CCF)CCCC2)cc1 ZINC001665948057 1355414103 /nfs/dbraw/zinc/41/41/03/1355414103.db2.gz HLKZTCMEMYPGMJ-UHFFFAOYSA-N 2 0 335.467 2.392 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001666655441 1355560776 /nfs/dbraw/zinc/56/07/76/1355560776.db2.gz BCQHLKJGDFARLB-NQIIRXRSSA-N 2 0 343.515 2.365 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001667216562 1355676378 /nfs/dbraw/zinc/67/63/78/1355676378.db2.gz IXYKAZGSDYPKSB-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001667296833 1355702354 /nfs/dbraw/zinc/70/23/54/1355702354.db2.gz UMFBGVFWOJMXMP-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCOC(C)C)C1 ZINC001667693660 1355789915 /nfs/dbraw/zinc/78/99/15/1355789915.db2.gz JODCBUQSHIOHII-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)oc1C ZINC001668186203 1355894472 /nfs/dbraw/zinc/89/44/72/1355894472.db2.gz WCSAMVWMTZYCGA-XEZPLFJOSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001669207891 1356125986 /nfs/dbraw/zinc/12/59/86/1356125986.db2.gz PZUWAKQKDUZOSM-OOFWQKGWSA-N 2 0 348.491 2.256 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669399790 1356154926 /nfs/dbraw/zinc/15/49/26/1356154926.db2.gz OFGGXDVEZACHBH-QAPCUYQASA-N 2 0 345.503 2.108 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001669882918 1356231982 /nfs/dbraw/zinc/23/19/82/1356231982.db2.gz SJBQVLKGWXCZNO-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C1CC[NH+](C)CC1 ZINC001670233217 1356300563 /nfs/dbraw/zinc/30/05/63/1356300563.db2.gz KIPCAMCFARACED-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671554820 1356361456 /nfs/dbraw/zinc/36/14/56/1356361456.db2.gz UDRXQMLVKNPZID-QAPCUYQASA-N 2 0 345.478 2.433 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@](C)(C[NH2+]C/C=C\Cl)C2)CC1 ZINC001671794859 1356416460 /nfs/dbraw/zinc/41/64/60/1356416460.db2.gz HHWUZHRVEGESBT-KNYPUDEUSA-N 2 0 327.900 2.299 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001672293888 1356495538 /nfs/dbraw/zinc/49/55/38/1356495538.db2.gz OIJFJEWRHQJQNI-UONOGXRCSA-N 2 0 347.425 2.251 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001672897695 1356610268 /nfs/dbraw/zinc/61/02/68/1356610268.db2.gz VDFWXIYRAFPXFX-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP CCOCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001672938957 1356619260 /nfs/dbraw/zinc/61/92/60/1356619260.db2.gz ZOKVPLDMMTXSDY-YJBOKZPZSA-N 2 0 333.476 2.084 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001672970336 1356624588 /nfs/dbraw/zinc/62/45/88/1356624588.db2.gz VKMOEDMZBMPIIY-WKILWMFISA-N 2 0 325.472 2.097 10 0 EEAERP O=C(NCC1([NH2+]CCCCC(F)(F)F)CCC1)C12CC[NH+](CC1)C2 ZINC001673230682 1356655708 /nfs/dbraw/zinc/65/57/08/1356655708.db2.gz WEUXZSJLJCAJMJ-UHFFFAOYSA-N 2 0 347.425 2.443 10 0 EEAERP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001674001701 1356769345 /nfs/dbraw/zinc/76/93/45/1356769345.db2.gz JURGNODUEJUYFV-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C1CC[NH+](C)CC1 ZINC001675966693 1357079220 /nfs/dbraw/zinc/07/92/20/1357079220.db2.gz VYAULUGMOJMGID-AWEZNQCLSA-N 2 0 348.491 2.268 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001699102545 1405255676 /nfs/dbraw/zinc/25/56/76/1405255676.db2.gz NNZFDAFWLUXXMX-QGPMSJSTSA-N 2 0 347.503 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2C)C1 ZINC001699131694 1405282988 /nfs/dbraw/zinc/28/29/88/1405282988.db2.gz VCPPRSIYEUKKDD-LPHOPBHVSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699538503 1405377478 /nfs/dbraw/zinc/37/74/78/1405377478.db2.gz LBIIWSLZBPMJQL-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000930113399 770539969 /nfs/dbraw/zinc/53/99/69/770539969.db2.gz LOBCXQWRAATZEF-LSDHHAIUSA-N 2 0 337.430 2.054 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000897262754 783068660 /nfs/dbraw/zinc/06/86/60/783068660.db2.gz QSLMCZDJBSYZLR-IBGZPJMESA-N 2 0 331.460 2.442 10 0 EEAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813047 777667070 /nfs/dbraw/zinc/66/70/70/777667070.db2.gz RHZIULYMYNEQLH-ZDUSSCGKSA-N 2 0 340.309 2.393 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000817932856 785112095 /nfs/dbraw/zinc/11/20/95/785112095.db2.gz WPWKOWSBRKJLLC-HOCLYGCPSA-N 2 0 334.464 2.011 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000819058631 785378954 /nfs/dbraw/zinc/37/89/54/785378954.db2.gz OLFLENJZAYUNMU-HNAYVOBHSA-N 2 0 337.483 2.031 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000912719239 788314004 /nfs/dbraw/zinc/31/40/04/788314004.db2.gz RWQRPXTWUPUQNC-UHFFFAOYSA-N 2 0 340.556 2.029 10 0 EEAERP C[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000913397720 788838396 /nfs/dbraw/zinc/83/83/96/788838396.db2.gz PHWVPZRXULDLPO-INIZCTEOSA-N 2 0 329.488 2.376 10 0 EEAERP C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299568 789322202 /nfs/dbraw/zinc/32/22/02/789322202.db2.gz VZFSKQYZLFLCPO-JTQLQIEISA-N 2 0 331.279 2.321 10 0 EEAERP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923428335 789528910 /nfs/dbraw/zinc/52/89/10/789528910.db2.gz ONIRWHPYDKBUDF-PXNSSMCTSA-N 2 0 348.487 2.291 10 0 EEAERP c1ccc(COc2ccc(CN3CC[NH2+]CC[NH2+]CC3)cc2)cc1 ZINC000923461162 789594606 /nfs/dbraw/zinc/59/46/06/789594606.db2.gz MTUXLXBPAINRBY-UHFFFAOYSA-N 2 0 325.456 2.260 10 0 EEAERP COc1cc(-c2noc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)n2)ccc1C ZINC000923493211 789664799 /nfs/dbraw/zinc/66/47/99/789664799.db2.gz FMBFHPFBQRXYJV-ZFWWWQNUSA-N 2 0 330.432 2.470 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC000923497862 789672364 /nfs/dbraw/zinc/67/23/64/789672364.db2.gz MUEZTWCGKMLFNQ-HOTGVXAUSA-N 2 0 330.476 2.142 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923500324 789683798 /nfs/dbraw/zinc/68/37/98/789683798.db2.gz NLQRIANTNFIURL-DOTOQJQBSA-N 2 0 347.507 2.319 10 0 EEAERP COC(=O)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923556820 789775072 /nfs/dbraw/zinc/77/50/72/789775072.db2.gz XZXHGWLXGKXLRK-KURKYZTESA-N 2 0 338.492 2.199 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713378921 794563895 /nfs/dbraw/zinc/56/38/95/794563895.db2.gz OXYAFUIEAJGKOM-XMUPAAEVSA-N 2 0 327.472 2.141 10 0 EEAERP C[NH+](C)C1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000913941058 794613709 /nfs/dbraw/zinc/61/37/09/794613709.db2.gz OAUADJUMEQQBJD-UHFFFAOYSA-N 2 0 330.476 2.176 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000914083113 794847582 /nfs/dbraw/zinc/84/75/82/794847582.db2.gz OTCNQONIBPZJKF-KBAYOESNSA-N 2 0 330.476 2.215 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000922532944 801256240 /nfs/dbraw/zinc/25/62/40/801256240.db2.gz LCJZFVKITYHLQU-NVXWUHKLSA-N 2 0 335.496 2.102 10 0 EEAERP CN(C)CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000922631280 801547944 /nfs/dbraw/zinc/54/79/44/801547944.db2.gz UTZSLLNRKJIPDH-ROUUACIJSA-N 2 0 333.476 2.392 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001436401244 1087748017 /nfs/dbraw/zinc/74/80/17/1087748017.db2.gz FVLMQGUGHIWSFT-FXDBZKHDSA-N 2 0 343.462 2.389 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)CC(C)(C)C1 ZINC001436496840 1088011295 /nfs/dbraw/zinc/01/12/95/1088011295.db2.gz DCZNDQBHUOAXCI-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001436503134 1088038029 /nfs/dbraw/zinc/03/80/29/1088038029.db2.gz ZWLLTXLHTRMFGR-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436672164 1088117222 /nfs/dbraw/zinc/11/72/22/1088117222.db2.gz RWXGMVOZZCLSDJ-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1)[NH+](C)C ZINC001436931395 1088601641 /nfs/dbraw/zinc/60/16/41/1088601641.db2.gz LJZMQMGXQOEXKU-HUORLRHWSA-N 2 0 336.505 2.095 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001436952306 1088639915 /nfs/dbraw/zinc/63/99/15/1088639915.db2.gz QBEDOVXNOUUMPN-QNWHQSFQSA-N 2 0 334.291 2.273 10 0 EEAERP Cc1cncc(CN2CCCC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001437036172 1088880239 /nfs/dbraw/zinc/88/02/39/1088880239.db2.gz IRFWSJWYFOQFQD-LPHOPBHVSA-N 2 0 344.503 2.203 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2nc(C)c(C)s2)CC[N@@H+]1C ZINC001437134833 1089126183 /nfs/dbraw/zinc/12/61/83/1089126183.db2.gz ZCOJGECRQUQEKJ-TUKIKUTGSA-N 2 0 338.521 2.085 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001437206482 1089278310 /nfs/dbraw/zinc/27/83/10/1089278310.db2.gz XNQCURAHRRQXLD-BXWFABGCSA-N 2 0 347.503 2.158 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2cnc(C)s2)C1 ZINC001437353970 1089574848 /nfs/dbraw/zinc/57/48/48/1089574848.db2.gz YHBOCZIYVMCBBO-HNNXBMFYSA-N 2 0 338.521 2.216 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437375647 1089618410 /nfs/dbraw/zinc/61/84/10/1089618410.db2.gz YDFLQNGEINIUNG-DNVCBOLYSA-N 2 0 347.478 2.460 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC001437426679 1089718929 /nfs/dbraw/zinc/71/89/29/1089718929.db2.gz JAOOBGISZCKPPL-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1cnc(C)s1 ZINC001437615269 1090124460 /nfs/dbraw/zinc/12/44/60/1090124460.db2.gz HBRGQWKBHOFJPE-ZFWWWQNUSA-N 2 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CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)c(F)c1 ZINC001438378253 1090860041 /nfs/dbraw/zinc/86/00/41/1090860041.db2.gz OOQRMNVZKBQLKW-CQSZACIVSA-N 2 0 337.414 2.045 10 0 EEAERP Cc1oncc1C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438422617 1090917937 /nfs/dbraw/zinc/91/79/37/1090917937.db2.gz UACATTRCWOQABL-RFUYNDQBSA-N 2 0 348.491 2.088 10 0 EEAERP CC1CC(C[NH+]2CCC(CCNC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001438454111 1090962367 /nfs/dbraw/zinc/96/23/67/1090962367.db2.gz SCKAOBINKGKGML-UHFFFAOYSA-N 2 0 333.520 2.347 10 0 EEAERP COCC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001445425458 1091181533 /nfs/dbraw/zinc/18/15/33/1091181533.db2.gz WHOUSHQZVSNJMS-QRQLOZEOSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438723952 1091253431 /nfs/dbraw/zinc/25/34/31/1091253431.db2.gz RZOGHBOQSSPTSI-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(C(F)F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445495025 1091272121 /nfs/dbraw/zinc/27/21/21/1091272121.db2.gz BORGWNMMPRXVNV-DOMZBBRYSA-N 2 0 325.403 2.170 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001445595762 1091387954 /nfs/dbraw/zinc/38/79/54/1091387954.db2.gz XZWBAKZQSJBHRU-AWEZNQCLSA-N 2 0 346.500 2.155 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccccc1F ZINC001438790849 1091392168 /nfs/dbraw/zinc/39/21/68/1091392168.db2.gz PTCGVBOIRCMXPX-ROUUACIJSA-N 2 0 335.467 2.193 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001438803818 1091411676 /nfs/dbraw/zinc/41/16/76/1091411676.db2.gz AVFMUJODXIDNNA-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001445644744 1091434083 /nfs/dbraw/zinc/43/40/83/1091434083.db2.gz HCKUMZHOBUEIHZ-LBPRGKRZSA-N 2 0 339.842 2.169 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438856737 1091492756 /nfs/dbraw/zinc/49/27/56/1091492756.db2.gz SYXMSMSOBXZPGO-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001439248866 1091897868 /nfs/dbraw/zinc/89/78/68/1091897868.db2.gz FHGRJBDLXHSEBH-RLFYNMQTSA-N 2 0 335.492 2.437 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)c1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439251319 1091901228 /nfs/dbraw/zinc/90/12/28/1091901228.db2.gz FAWKTOOHPBCZBC-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)CCC[NH+](C)C ZINC001439253046 1091903190 /nfs/dbraw/zinc/90/31/90/1091903190.db2.gz AXGRKGSRGUGJGY-YVEFUNNKSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001439403261 1092159831 /nfs/dbraw/zinc/15/98/31/1092159831.db2.gz HHVWFFAGPMXVLQ-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)c(F)c1)C1CC1)[NH+](C)C ZINC001439485372 1092293642 /nfs/dbraw/zinc/29/36/42/1092293642.db2.gz PGUICNOIGRIZFA-QZTJIDSGSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)c1ccccc1F ZINC001446265743 1092407950 /nfs/dbraw/zinc/40/79/50/1092407950.db2.gz JKKUASFOFCDKIZ-CQSZACIVSA-N 2 0 331.435 2.221 10 0 EEAERP Cc1cc(C)cc(C[NH+]2CC[C@@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001439566391 1092447115 /nfs/dbraw/zinc/44/71/15/1092447115.db2.gz BIYAKTCFQBWIKW-PKOBYXMFSA-N 2 0 329.488 2.336 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(C)ns2)CC1 ZINC001439609930 1092517353 /nfs/dbraw/zinc/51/73/53/1092517353.db2.gz FAOJCHQMBCSFHQ-OAHLLOKOSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C)(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC001439801856 1092758610 /nfs/dbraw/zinc/75/86/10/1092758610.db2.gz DLJKTSHZCRYAOA-HUUCEWRRSA-N 2 0 348.491 2.327 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001439880387 1092928190 /nfs/dbraw/zinc/92/81/90/1092928190.db2.gz BDYICXTTZYTAHO-GDBMZVCRSA-N 2 0 331.451 2.202 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001439908722 1092976238 /nfs/dbraw/zinc/97/62/38/1092976238.db2.gz ZTKVQSWBJGRRMF-DPXMASKKSA-N 2 0 348.318 2.475 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1C[C@H]1CCC(F)(F)C1 ZINC001440243375 1093334381 /nfs/dbraw/zinc/33/43/81/1093334381.db2.gz ARJWLJLRTKBIAD-LSDHHAIUSA-N 2 0 331.451 2.296 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC001448394080 1093393553 /nfs/dbraw/zinc/39/35/53/1093393553.db2.gz OZLAFPIETMAPRJ-KRWDZBQOSA-N 2 0 344.459 2.428 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440357379 1093514140 /nfs/dbraw/zinc/51/41/40/1093514140.db2.gz SEUCSYFCIHLYQS-BETUJISGSA-N 2 0 335.414 2.440 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001440387436 1093559560 /nfs/dbraw/zinc/55/95/60/1093559560.db2.gz GWSOKKIBAWAPES-JKSUJKDBSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001448620595 1093684859 /nfs/dbraw/zinc/68/48/59/1093684859.db2.gz UGWIDDNVPMRWLE-IBGZPJMESA-N 2 0 329.488 2.417 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCC2(C[NH+](CC(C)C)C2)O1)[NH+](CC)CC ZINC001440499662 1093740025 /nfs/dbraw/zinc/74/00/25/1093740025.db2.gz JDAWIUFIENKZHW-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001440534963 1093798466 /nfs/dbraw/zinc/79/84/66/1093798466.db2.gz WTEANHYZDJMKBR-BJMVGYQFSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001440837858 1094091191 /nfs/dbraw/zinc/09/11/91/1094091191.db2.gz PFHCMELAHSFFCP-JKSUJKDBSA-N 2 0 332.492 2.185 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)C(C)(C)C1 ZINC001449086372 1094099670 /nfs/dbraw/zinc/09/96/70/1094099670.db2.gz BGZSCXUTRGECOZ-QGZVFWFLSA-N 2 0 335.467 2.147 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440851814 1094111271 /nfs/dbraw/zinc/11/12/71/1094111271.db2.gz FNBYHIDVRVINAK-LSDHHAIUSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC[C@H]1CCCCO1 ZINC001440954665 1094209234 /nfs/dbraw/zinc/20/92/34/1094209234.db2.gz NGAXATFHUYDPLB-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CCc1cccc(C[NH2+][C@@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001441271158 1094683825 /nfs/dbraw/zinc/68/38/25/1094683825.db2.gz SFXLGYHQHUGQKI-IBGZPJMESA-N 2 0 341.499 2.329 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001441297755 1094740810 /nfs/dbraw/zinc/74/08/10/1094740810.db2.gz KNZHMHXBPINHEB-SFHVURJKSA-N 2 0 347.503 2.317 10 0 EEAERP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001441357645 1094873383 /nfs/dbraw/zinc/87/33/83/1094873383.db2.gz PKJSRQVCWHMJPW-ULQDDVLXSA-N 2 0 339.524 2.018 10 0 EEAERP CO[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001441482892 1095155303 /nfs/dbraw/zinc/15/53/03/1095155303.db2.gz JUZGGKBFBZKXJW-FCGDIQPGSA-N 2 0 345.487 2.095 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001441528483 1095235732 /nfs/dbraw/zinc/23/57/32/1095235732.db2.gz NFTLIITXYLUSJP-GASCZTMLSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+]1CCCCC1 ZINC001441551504 1095282382 /nfs/dbraw/zinc/28/23/82/1095282382.db2.gz UIGQFKNBFFCUTI-MWDXBVQZSA-N 2 0 327.488 2.482 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001441589655 1095416309 /nfs/dbraw/zinc/41/63/09/1095416309.db2.gz QXLVSDJMVOMDTR-LSDHHAIUSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001441652063 1095606311 /nfs/dbraw/zinc/60/63/11/1095606311.db2.gz FFDOJSOOJUGYEF-BEFAXECRSA-N 2 0 329.488 2.064 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001441656960 1095619745 /nfs/dbraw/zinc/61/97/45/1095619745.db2.gz VSCDGKYDJBFOFS-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)sn1 ZINC001441662002 1095628587 /nfs/dbraw/zinc/62/85/87/1095628587.db2.gz VRPNXUJIXSFZAA-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccccn2)C1 ZINC001441687963 1095670073 /nfs/dbraw/zinc/67/00/73/1095670073.db2.gz UKYUZQQOYQLJAH-DLBZAZTESA-N 2 0 332.492 2.139 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001442130977 1096372753 /nfs/dbraw/zinc/37/27/53/1096372753.db2.gz YTKXTPHEMOBWED-SFHVURJKSA-N 2 0 346.519 2.401 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](Cc3ocnc3C)CC2)CC1 ZINC001442274212 1096581955 /nfs/dbraw/zinc/58/19/55/1096581955.db2.gz DIVJPAXUBNKGII-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(CN(C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)sn1 ZINC001442555659 1096918846 /nfs/dbraw/zinc/91/88/46/1096918846.db2.gz XZXNWHHBEVTVNP-ZBFHGGJFSA-N 2 0 336.505 2.016 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC001442799180 1097179546 /nfs/dbraw/zinc/17/95/46/1097179546.db2.gz JAPMFQPJLNFFRJ-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001442911911 1097318118 /nfs/dbraw/zinc/31/81/18/1097318118.db2.gz WCFDJQPFHUIZEU-APWZRJJASA-N 2 0 329.488 2.452 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001443266589 1097746768 /nfs/dbraw/zinc/74/67/68/1097746768.db2.gz GVTNDMOMDXMRSY-AEFFLSMTSA-N 2 0 347.478 2.414 10 0 EEAERP COc1cccc(C[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001443596325 1098088218 /nfs/dbraw/zinc/08/82/18/1098088218.db2.gz DHAIWGVPXIGPEL-UHFFFAOYSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443815733 1098313245 /nfs/dbraw/zinc/31/32/45/1098313245.db2.gz KSCFRHSSBMLIEY-OAHLLOKOSA-N 2 0 338.521 2.134 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC001443861758 1098386055 /nfs/dbraw/zinc/38/60/55/1098386055.db2.gz SVBFUOQPSKSVOQ-SFHVURJKSA-N 2 0 347.503 2.378 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nc2ccccc2o1 ZINC001443992539 1098507751 /nfs/dbraw/zinc/50/77/51/1098507751.db2.gz ZYAPYMGNBSCOAN-GJZGRUSLSA-N 2 0 344.459 2.154 10 0 EEAERP CCOCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001479499824 1098566764 /nfs/dbraw/zinc/56/67/64/1098566764.db2.gz AKJCBSFIBONSMV-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cncc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCCC2)c1 ZINC001444072113 1098595924 /nfs/dbraw/zinc/59/59/24/1098595924.db2.gz ISIURJMSVVNVRN-SFHVURJKSA-N 2 0 344.503 2.393 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC=C(C)C ZINC001479616308 1098641845 /nfs/dbraw/zinc/64/18/45/1098641845.db2.gz CLSYGFGRPZIGAH-MANSERQUSA-N 2 0 333.520 2.463 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1CC)[NH+](C)C ZINC001479637498 1098666503 /nfs/dbraw/zinc/66/65/03/1098666503.db2.gz ZZPIWHCBFNNNJE-RRFJBIMHSA-N 2 0 331.451 2.341 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001479692483 1098757282 /nfs/dbraw/zinc/75/72/82/1098757282.db2.gz RYNMIAHXVMBHQE-QGZVFWFLSA-N 2 0 327.513 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+][C@@H](C)COC)cc2)CC[N@@H+]1C ZINC001444211542 1098772308 /nfs/dbraw/zinc/77/23/08/1098772308.db2.gz PLSXYCBHEGXPDT-ZYSHUDEJSA-N 2 0 347.503 2.158 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H](C)c1ccccc1F ZINC001444387365 1098976079 /nfs/dbraw/zinc/97/60/79/1098976079.db2.gz JTTBDSCPMNGRNV-CABCVRRESA-N 2 0 333.451 2.324 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)Cc2cncs2)cc1 ZINC001479802530 1099034747 /nfs/dbraw/zinc/03/47/47/1099034747.db2.gz TTXZYIMQRSUWJF-UHFFFAOYSA-N 2 0 346.500 2.457 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(F)c(F)c1 ZINC001479808569 1099057171 /nfs/dbraw/zinc/05/71/71/1099057171.db2.gz HXSZAVMFCCVHMQ-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cncc(F)c1 ZINC001479844484 1099135215 /nfs/dbraw/zinc/13/52/15/1099135215.db2.gz FKROSAIJIXLBTQ-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(C2CC2)no1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001444633418 1099460441 /nfs/dbraw/zinc/46/04/41/1099460441.db2.gz YFGRBPTYOMNHFQ-GDBMZVCRSA-N 2 0 348.491 2.363 10 0 EEAERP COc1ccc(Cl)c(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001444660507 1099497508 /nfs/dbraw/zinc/49/75/08/1099497508.db2.gz BXBZAYKSCCOPNF-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP O=C(NC[C@H]([NH2+]CCCF)C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480023328 1099504769 /nfs/dbraw/zinc/50/47/69/1099504769.db2.gz MIMZLOIYVHVLON-DLBZAZTESA-N 2 0 325.472 2.237 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444671368 1099512483 /nfs/dbraw/zinc/51/24/83/1099512483.db2.gz JHXNUSOSIFXHNN-JYJNAYRXSA-N 2 0 335.467 2.493 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCC(F)(F)F)C2)CC1 ZINC001480220801 1099837817 /nfs/dbraw/zinc/83/78/17/1099837817.db2.gz ONYACLBBKVYVTP-BETUJISGSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)sn1 ZINC001444898198 1099950792 /nfs/dbraw/zinc/95/07/92/1099950792.db2.gz VHXSPWXVLVKOMR-OAHLLOKOSA-N 2 0 338.521 2.024 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001495137128 1100808245 /nfs/dbraw/zinc/80/82/45/1100808245.db2.gz JVGXMSQZRNVXFA-RDJZCZTQSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)oc2C)C[C@@H]1C ZINC001446420558 1100832412 /nfs/dbraw/zinc/83/24/12/1100832412.db2.gz OQUORNZRYBXEHY-BBRMVZONSA-N 2 0 336.480 2.102 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001446478640 1100907196 /nfs/dbraw/zinc/90/71/96/1100907196.db2.gz SGPJIHMRDYVFMO-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C2CC2)o1 ZINC001495293050 1100992752 /nfs/dbraw/zinc/99/27/52/1100992752.db2.gz QSVXQNKZFZAYCV-LJQANCHMSA-N 2 0 348.491 2.089 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001446563526 1101046856 /nfs/dbraw/zinc/04/68/56/1101046856.db2.gz ORZBZFOEZQKRLK-GOEBONIOSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cnccc2C)C1 ZINC001495379064 1101097833 /nfs/dbraw/zinc/09/78/33/1101097833.db2.gz LITWISNDFJAMRH-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001496601978 1101203182 /nfs/dbraw/zinc/20/31/82/1101203182.db2.gz FJEWVBYBGVSTQO-HIFRSBDPSA-N 2 0 331.451 2.104 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496816957 1101525151 /nfs/dbraw/zinc/52/51/51/1101525151.db2.gz QAJXKWLLQFXLIM-QGZVFWFLSA-N 2 0 347.503 2.236 10 0 EEAERP CC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccccc1CC ZINC001446932488 1101613701 /nfs/dbraw/zinc/61/37/01/1101613701.db2.gz BALMWRUEXYHSRE-IBGZPJMESA-N 2 0 347.503 2.127 10 0 EEAERP C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446946469 1101637972 /nfs/dbraw/zinc/63/79/72/1101637972.db2.gz VOBIEUVBCPOMDD-GDBMZVCRSA-N 2 0 335.517 2.417 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccon2)CC1 ZINC001446954916 1101652863 /nfs/dbraw/zinc/65/28/63/1101652863.db2.gz LISIYTMGFQYHQU-WKILWMFISA-N 2 0 336.480 2.027 10 0 EEAERP C[C@H](F)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001446980242 1101693934 /nfs/dbraw/zinc/69/39/34/1101693934.db2.gz KKFKNCXBZXZADB-HRCADAONSA-N 2 0 327.488 2.103 10 0 EEAERP CCc1nc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)cs1 ZINC001496904809 1101697601 /nfs/dbraw/zinc/69/76/01/1101697601.db2.gz UYDWHGHQZOEIQC-ZFWWWQNUSA-N 2 0 338.521 2.032 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001495914753 1101757997 /nfs/dbraw/zinc/75/79/97/1101757997.db2.gz KCXIDHGYNDWYHJ-HZPDHXFCSA-N 2 0 325.472 2.095 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCF ZINC001447032800 1101789940 /nfs/dbraw/zinc/78/99/40/1101789940.db2.gz BJQZDILEOIAQTM-IAGOWNOFSA-N 2 0 325.472 2.287 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CCCC1 ZINC001495939476 1101794628 /nfs/dbraw/zinc/79/46/28/1101794628.db2.gz JFTJZKZJNXSZJW-AWEZNQCLSA-N 2 0 331.451 2.392 10 0 EEAERP Cc1nocc1C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001495963270 1101841188 /nfs/dbraw/zinc/84/11/88/1101841188.db2.gz HCVXTMZDGDTDCF-HUUCEWRRSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497152335 1102036484 /nfs/dbraw/zinc/03/64/84/1102036484.db2.gz AXVPQBMSGVAOSR-MLGOLLRUSA-N 2 0 325.403 2.043 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1C ZINC001497156340 1102043608 /nfs/dbraw/zinc/04/36/08/1102043608.db2.gz ULMLDLNFHOXYCI-RHSMWYFYSA-N 2 0 333.476 2.082 10 0 EEAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001496153335 1102145487 /nfs/dbraw/zinc/14/54/87/1102145487.db2.gz HIJNIVZFWMLBKQ-KBXCAEBGSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCC(F)(F)F)CCC2)CC[N@@H+]1C ZINC001447194120 1102175782 /nfs/dbraw/zinc/17/57/82/1102175782.db2.gz BZKDTHAGXAUXRS-QWHCGFSZSA-N 2 0 335.414 2.298 10 0 EEAERP O=C(NCC1([NH2+]CCc2cccs2)CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001447196009 1102181427 /nfs/dbraw/zinc/18/14/27/1102181427.db2.gz FJTQYKGQSOZSHR-QGZVFWFLSA-N 2 0 347.528 2.261 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)cn1 ZINC001447293581 1102380577 /nfs/dbraw/zinc/38/05/77/1102380577.db2.gz CENWZXVREFPGKF-SJORKVTESA-N 2 0 347.507 2.159 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCCO1)C(=O)CC1CC[NH+](C)CC1 ZINC001497464494 1102532311 /nfs/dbraw/zinc/53/23/11/1102532311.db2.gz OLTBHNAPMAAEOE-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C2CC2)no1)C(=O)CC1CC[NH+](C)CC1 ZINC001497465308 1102532751 /nfs/dbraw/zinc/53/27/51/1102532751.db2.gz WQSXUNVDMXUWQG-UHFFFAOYSA-N 2 0 348.491 2.222 10 0 EEAERP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001447414856 1102614002 /nfs/dbraw/zinc/61/40/02/1102614002.db2.gz OJULLLHMHSIWIV-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001497602380 1102732004 /nfs/dbraw/zinc/73/20/04/1102732004.db2.gz XLCBQMSCNCXGQF-LHRDXKRPSA-N 2 0 333.451 2.462 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001497602378 1102733534 /nfs/dbraw/zinc/73/35/34/1102733534.db2.gz XLCBQMSCNCXGQF-DCKQQPRJSA-N 2 0 333.451 2.462 10 0 EEAERP CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001447701291 1103136951 /nfs/dbraw/zinc/13/69/51/1103136951.db2.gz CZRWYAMZBKHJOJ-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497816754 1103144030 /nfs/dbraw/zinc/14/40/30/1103144030.db2.gz BRTYOPOGIAUSNP-TZMCWYRMSA-N 2 0 335.414 2.155 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F)[NH+](C)C ZINC001497836280 1103169714 /nfs/dbraw/zinc/16/97/14/1103169714.db2.gz VMYAPNLZZUAQEW-BFQNTYOBSA-N 2 0 327.419 2.460 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)o1 ZINC001447877546 1103498120 /nfs/dbraw/zinc/49/81/20/1103498120.db2.gz YIIGGYFCRNIBLY-QWHCGFSZSA-N 2 0 336.480 2.013 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494330459 1103901358 /nfs/dbraw/zinc/90/13/58/1103901358.db2.gz XUQQTQYJFQVTGX-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH+]1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001494575274 1104163324 /nfs/dbraw/zinc/16/33/24/1104163324.db2.gz NNRCYTWUQRSDMJ-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCOCC2CC2)C1)C12CCC[NH+]1CCC2 ZINC001480695549 1106901937 /nfs/dbraw/zinc/90/19/37/1106901937.db2.gz OTXADCFDSSOKHQ-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2nocc2C)C1 ZINC001480710336 1106934914 /nfs/dbraw/zinc/93/49/14/1106934914.db2.gz VQDWAIDQUWSLOQ-HZPDHXFCSA-N 2 0 336.480 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCOC(C)C)C1 ZINC001480727360 1106983827 /nfs/dbraw/zinc/98/38/27/1106983827.db2.gz UZCUCICNMRYZOO-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)C[C@@H]2CCCCO2)C1 ZINC001480738564 1107019969 /nfs/dbraw/zinc/01/99/69/1107019969.db2.gz GUPIKUYCPXEBLF-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc2sc(C[NH2+]C[C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)nc2c1 ZINC001498190956 1107053595 /nfs/dbraw/zinc/05/35/95/1107053595.db2.gz YLUWIBLNVBWYII-UONOGXRCSA-N 2 0 346.500 2.151 10 0 EEAERP C[C@H](C[N@H+](C)CCc1c(F)cccc1F)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498248012 1107149387 /nfs/dbraw/zinc/14/93/87/1107149387.db2.gz PXFBVRXAURAOPJ-DYVFJYSZSA-N 2 0 339.430 2.038 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001480834968 1107236986 /nfs/dbraw/zinc/23/69/86/1107236986.db2.gz WMKGYGJXUSYDJX-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CCC(F)(F)F ZINC001493044313 1107381335 /nfs/dbraw/zinc/38/13/35/1107381335.db2.gz ZTINSTFHWBRRTG-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c1C ZINC001493161035 1107617850 /nfs/dbraw/zinc/61/78/50/1107617850.db2.gz LCGQPKHMWXOAPN-GOSISDBHSA-N 2 0 347.503 2.424 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c1C ZINC001493161045 1107618297 /nfs/dbraw/zinc/61/82/97/1107618297.db2.gz LCGQPKHMWXOAPN-SFHVURJKSA-N 2 0 347.503 2.424 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001498550288 1107703231 /nfs/dbraw/zinc/70/32/31/1107703231.db2.gz QLAIQWOCEIMWEX-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CC2CCC3(CC3)CC2)C2CC2)C1 ZINC001493445625 1108169191 /nfs/dbraw/zinc/16/91/91/1108169191.db2.gz RLYYIZXNSBRCIZ-QGZVFWFLSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493549583 1108298371 /nfs/dbraw/zinc/29/83/71/1108298371.db2.gz IJLVWTVDKPQKGW-SFHVURJKSA-N 2 0 333.451 2.024 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493583780 1108358070 /nfs/dbraw/zinc/35/80/70/1108358070.db2.gz JCYGQCDVHDFKTM-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2cnc(Cl)s2)CC1 ZINC001493741908 1108607433 /nfs/dbraw/zinc/60/74/33/1108607433.db2.gz JSZUREFAJSVLFM-UHFFFAOYSA-N 2 0 344.912 2.076 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ncccn2)CC1 ZINC001493850368 1108734770 /nfs/dbraw/zinc/73/47/70/1108734770.db2.gz QDZKKZQSIMRRKN-CVEARBPZSA-N 2 0 347.507 2.095 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@H]1CC[C@H](C)O1 ZINC001493870577 1108766961 /nfs/dbraw/zinc/76/69/61/1108766961.db2.gz MKJHKDUQUZBUJC-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC001471871527 1110534161 /nfs/dbraw/zinc/53/41/61/1110534161.db2.gz REBQBANTKDGEGF-IAGOWNOFSA-N 2 0 339.549 2.050 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCOc3ccccc3)C2)CCC1 ZINC001479371662 1110688149 /nfs/dbraw/zinc/68/81/49/1110688149.db2.gz TZQAIUCWBHRORJ-QAQDUYKDSA-N 2 0 345.487 2.034 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC[C@H]3CCCC3(F)F)CC2)C1 ZINC001499351474 1112245831 /nfs/dbraw/zinc/24/58/31/1112245831.db2.gz BCYZUASCMPHRJG-LSDHHAIUSA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2([NH2+]CCC3CC3)CC2)C1 ZINC001499352801 1112246486 /nfs/dbraw/zinc/24/64/86/1112246486.db2.gz SPSMXXDZGWAHEY-GOSISDBHSA-N 2 0 325.472 2.237 10 0 EEAERP Cc1ncccc1C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001499515910 1112333673 /nfs/dbraw/zinc/33/36/73/1112333673.db2.gz BCRQMTIDYNZBCC-MOPGFXCFSA-N 2 0 344.503 2.296 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001499905539 1112535887 /nfs/dbraw/zinc/53/58/87/1112535887.db2.gz RTIQRQHGIVMRNN-PKOBYXMFSA-N 2 0 347.478 2.433 10 0 EEAERP COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001499909696 1112537136 /nfs/dbraw/zinc/53/71/36/1112537136.db2.gz YVNCFDALONZPLE-WBVHZDCISA-N 2 0 339.524 2.255 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001500444165 1112837011 /nfs/dbraw/zinc/83/70/11/1112837011.db2.gz GXRHMUWQXUARDP-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001501603660 1113396570 /nfs/dbraw/zinc/39/65/70/1113396570.db2.gz DWEJUAVYVYMSLK-NVXWUHKLSA-N 2 0 348.491 2.220 10 0 EEAERP CCc1nc(C)c(C[NH2+]C2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC2)o1 ZINC001502000308 1113553286 /nfs/dbraw/zinc/55/32/86/1113553286.db2.gz ZKGDJDOCDOCAER-CQSZACIVSA-N 2 0 348.491 2.016 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001502092828 1113584311 /nfs/dbraw/zinc/58/43/11/1113584311.db2.gz XFJLXHNCHMRKPM-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cncc(C[N@@H+](C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001502390977 1113661381 /nfs/dbraw/zinc/66/13/81/1113661381.db2.gz XKIGRHXRCWSTRR-KRWDZBQOSA-N 2 0 332.492 2.012 10 0 EEAERP CC[N@H+](CC[C@@H]1CCCO1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001505398697 1113936523 /nfs/dbraw/zinc/93/65/23/1113936523.db2.gz RYDJMKICSICQIC-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001505410280 1113944942 /nfs/dbraw/zinc/94/49/42/1113944942.db2.gz AGDCZDZKPATFGD-YCOJEUHLSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1nc(C[NH2+]CC2CC(NC(=O)CCC[NH+]3CCCC3)C2)c(C)o1 ZINC001505537512 1114039268 /nfs/dbraw/zinc/03/92/68/1114039268.db2.gz AKOZMVISIGHGEV-UHFFFAOYSA-N 2 0 348.491 2.152 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505631266 1114096616 /nfs/dbraw/zinc/09/66/16/1114096616.db2.gz AGEQZGLZUIXRJI-DLBZAZTESA-N 2 0 344.503 2.249 10 0 EEAERP CC(C)COCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505634021 1114098676 /nfs/dbraw/zinc/09/86/76/1114098676.db2.gz UUOKVGMCJUWQAO-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681036 1114128252 /nfs/dbraw/zinc/12/82/52/1114128252.db2.gz IJGLLHQENGFFLF-GJZGRUSLSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001506920959 1114974826 /nfs/dbraw/zinc/97/48/26/1114974826.db2.gz CTKOMWOPPDDXNP-XNRPHZJLSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001506937253 1114987149 /nfs/dbraw/zinc/98/71/49/1114987149.db2.gz UQQSAYOXUWOLAH-MRXNPFEDSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1cccnc1C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001506975369 1115024013 /nfs/dbraw/zinc/02/40/13/1115024013.db2.gz DOAKLFZDIKGQTO-UHFFFAOYSA-N 2 0 332.492 2.153 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1coc(C2CC2)n1 ZINC001506992631 1115037511 /nfs/dbraw/zinc/03/75/11/1115037511.db2.gz KVZUBMLKKCTVNY-DOTOQJQBSA-N 2 0 348.491 2.124 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001507149912 1115134740 /nfs/dbraw/zinc/13/47/40/1115134740.db2.gz SGTPCALRFUQZKR-VQIMIIECSA-N 2 0 347.503 2.111 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507299718 1115181069 /nfs/dbraw/zinc/18/10/69/1115181069.db2.gz WWISCTDFJRBYMO-QAPCUYQASA-N 2 0 348.466 2.176 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)CN1C(=O)CCC[NH+](C)C ZINC001507322976 1115192029 /nfs/dbraw/zinc/19/20/29/1115192029.db2.gz VGOVSESYPFZADZ-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)CN1C(=O)CCC[NH+](C)C ZINC001507322975 1115192138 /nfs/dbraw/zinc/19/21/38/1115192138.db2.gz VGOVSESYPFZADZ-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507341944 1115205217 /nfs/dbraw/zinc/20/52/17/1115205217.db2.gz SZOHGIFTPCUBPE-HUUCEWRRSA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@@H](C[NH2+]CC2CCC2)C(C)(C)C)CC1 ZINC001508033341 1115395920 /nfs/dbraw/zinc/39/59/20/1115395920.db2.gz ZDFGMJFYCDTUJT-KRWDZBQOSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccncc1C[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001508068402 1115410466 /nfs/dbraw/zinc/41/04/66/1115410466.db2.gz HJYZQUDMXSZLRY-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001508163918 1115431946 /nfs/dbraw/zinc/43/19/46/1115431946.db2.gz ZDMMTZMCWOXGAF-CVEARBPZSA-N 2 0 339.499 2.437 10 0 EEAERP C[C@H](C[NH2+]CCCOc1ccccc1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568281886 1124402622 /nfs/dbraw/zinc/40/26/22/1124402622.db2.gz YWCVSQOQUGRDLJ-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]C/C=C/Cl)C1 ZINC001568397186 1124467727 /nfs/dbraw/zinc/46/77/27/1124467727.db2.gz UZPXEEBPTTWNNK-DUIXZTDISA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568884081 1124910901 /nfs/dbraw/zinc/91/09/01/1124910901.db2.gz DTRCSNQXPRLEBI-ARJAWSKDSA-N 2 0 325.416 2.109 10 0 EEAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568905700 1124931997 /nfs/dbraw/zinc/93/19/97/1124931997.db2.gz DBENZAUBVSRXLO-RTQGNFRKSA-N 2 0 337.508 2.080 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001568920601 1124949236 /nfs/dbraw/zinc/94/92/36/1124949236.db2.gz YKSKDGZOKVOXRW-CWDCEQMOSA-N 2 0 333.451 2.238 10 0 EEAERP Cc1ccccc1OCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001569133026 1125118810 /nfs/dbraw/zinc/11/88/10/1125118810.db2.gz OEHPUVXQOSNBCM-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001569247556 1125193690 /nfs/dbraw/zinc/19/36/90/1125193690.db2.gz TYHFHRGBNZXGBB-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001569330075 1125233127 /nfs/dbraw/zinc/23/31/27/1125233127.db2.gz ZCYWIXZHTQINGK-SFHVURJKSA-N 2 0 349.906 2.463 10 0 EEAERP CC[NH+]1CCN(CC[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000054015397 214211284 /nfs/dbraw/zinc/21/12/84/214211284.db2.gz XHPSLCWKBOBTIX-OAHLLOKOSA-N 2 0 326.282 2.477 10 0 EEAERP CC[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C[C@@H](C)O ZINC000181688087 539586412 /nfs/dbraw/zinc/58/64/12/539586412.db2.gz ICKCQIWOBAZYQX-APWZRJJASA-N 2 0 337.483 2.035 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000097406519 201386097 /nfs/dbraw/zinc/38/60/97/201386097.db2.gz BLDMZWSHRUXBEB-QGZVFWFLSA-N 2 0 326.529 2.384 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1OC(F)F ZINC000422813459 240242953 /nfs/dbraw/zinc/24/29/53/240242953.db2.gz RZCVQUPSORHQEQ-RAIGVLPGSA-N 2 0 330.375 2.139 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422907502 240285124 /nfs/dbraw/zinc/28/51/24/240285124.db2.gz LKVMHZYHAWEINJ-CABCVRRESA-N 2 0 341.446 2.273 10 0 EEAERP COc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423059211 240345275 /nfs/dbraw/zinc/34/52/75/240345275.db2.gz FHAGIYBMHNSUHX-DDTOSNHZSA-N 2 0 343.265 2.300 10 0 EEAERP C[NH+](C)CC1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000042392511 204093349 /nfs/dbraw/zinc/09/33/49/204093349.db2.gz XUEZVXKBWBRRHL-GFCCVEGCSA-N 2 0 330.270 2.316 10 0 EEAERP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000106459656 204196762 /nfs/dbraw/zinc/19/67/62/204196762.db2.gz WQUWISIPHLBFAS-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP C[NH+]1CCC(CC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000273263277 256281944 /nfs/dbraw/zinc/28/19/44/256281944.db2.gz UCFOKUDWKLNFIW-UHFFFAOYSA-N 2 0 333.476 2.434 10 0 EEAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@]3(CCN(CC[NH+]4CCCC4)C3=O)C2)o1 ZINC000248114842 257665092 /nfs/dbraw/zinc/66/50/92/257665092.db2.gz SBKCGTDZMDBSJU-JXFKEZNVSA-N 2 0 345.487 2.354 10 0 EEAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)C[C@H]2C1 ZINC000424266680 286113103 /nfs/dbraw/zinc/11/31/03/286113103.db2.gz JIKCACMNWTUEGX-VUDASAJCSA-N 2 0 335.536 2.338 10 0 EEAERP COCC1(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC[NH2+]CC1 ZINC000423409652 292246942 /nfs/dbraw/zinc/24/69/42/292246942.db2.gz QRBBOYVVQLQOTG-AWEZNQCLSA-N 2 0 349.475 2.320 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125405098 292296737 /nfs/dbraw/zinc/29/67/37/292296737.db2.gz NOSLCWVWNVWRCT-LXPRWKDFSA-N 2 0 338.540 2.480 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107834860 159336487 /nfs/dbraw/zinc/33/64/87/159336487.db2.gz RCRWFYCUMHFQHH-FUHWJXTLSA-N 2 0 334.508 2.131 10 0 EEAERP O=C(NCCC[NH+]1CCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192946463 160177112 /nfs/dbraw/zinc/17/71/12/160177112.db2.gz WOUWTNDYXMPLFV-UHFFFAOYSA-N 2 0 336.524 2.380 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000245560106 160242856 /nfs/dbraw/zinc/24/28/56/160242856.db2.gz WKXBQUDCUZPJKO-ICSRJNTNSA-N 2 0 345.487 2.429 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000247278039 160317843 /nfs/dbraw/zinc/31/78/43/160317843.db2.gz KEOXRQHJEIBCKZ-XDNAFOTISA-N 2 0 338.540 2.382 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247599791 160329871 /nfs/dbraw/zinc/32/98/71/160329871.db2.gz UERNBVIXGYBOFE-IRXDYDNUSA-N 2 0 346.475 2.296 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000247912969 160332702 /nfs/dbraw/zinc/33/27/02/160332702.db2.gz AQDXTLIXECERDV-FGTMMUONSA-N 2 0 330.476 2.215 10 0 EEAERP C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000343426136 161135129 /nfs/dbraw/zinc/13/51/29/161135129.db2.gz CXGWWXOTLMYDEI-QGZVFWFLSA-N 2 0 329.488 2.300 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000343716776 161161416 /nfs/dbraw/zinc/16/14/16/161161416.db2.gz FBMAAYZRBDDXFB-MRXNPFEDSA-N 2 0 327.538 2.004 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000360438136 164310212 /nfs/dbraw/zinc/31/02/12/164310212.db2.gz VNHCTICBOCCXEP-MRXNPFEDSA-N 2 0 342.487 2.373 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369506383 166275367 /nfs/dbraw/zinc/27/53/67/166275367.db2.gz GCEWWBQAFRVZEX-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000376810465 167398165 /nfs/dbraw/zinc/39/81/65/167398165.db2.gz BPSHTGBDTATJAC-LJQANCHMSA-N 2 0 342.487 2.313 10 0 EEAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422691901 279137838 /nfs/dbraw/zinc/13/78/38/279137838.db2.gz JCNBGVMZJNMSKR-UXHICEINSA-N 2 0 331.504 2.385 10 0 EEAERP O=C1CC[C@@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333176719 312106932 /nfs/dbraw/zinc/10/69/32/312106932.db2.gz RBBDVPISLDLRFS-AYDFFVQHSA-N 2 0 347.425 2.344 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333574963 312168525 /nfs/dbraw/zinc/16/85/25/312168525.db2.gz MXZABPJSRKYKPI-YFHUEUNASA-N 2 0 336.524 2.408 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416848803 313335170 /nfs/dbraw/zinc/33/51/70/313335170.db2.gz WWZCZGUUBUFQPD-MSOLQXFVSA-N 2 0 344.434 2.428 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCC1 ZINC000416965469 313374133 /nfs/dbraw/zinc/37/41/33/313374133.db2.gz XPKYOZVAPXYVHY-HUUCEWRRSA-N 2 0 346.466 2.183 10 0 EEAERP C[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)C[NH+]1CCCCC1 ZINC000417168771 313439407 /nfs/dbraw/zinc/43/94/07/313439407.db2.gz BGRUYMAUJKOTPK-GOSISDBHSA-N 2 0 346.519 2.321 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418610704 313860312 /nfs/dbraw/zinc/86/03/12/313860312.db2.gz GHGUGWDPBNFWDG-LPHOPBHVSA-N 2 0 344.503 2.290 10 0 EEAERP CC(C)(CC[NH3+])NC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000422557143 314282088 /nfs/dbraw/zinc/28/20/88/314282088.db2.gz IYAURDGFKHPRNX-UHFFFAOYSA-N 2 0 325.482 2.378 10 0 EEAERP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000435601058 314910666 /nfs/dbraw/zinc/91/06/66/314910666.db2.gz IVMYRURCRHVYPS-OAHLLOKOSA-N 2 0 344.484 2.162 10 0 EEAERP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000437526045 315039469 /nfs/dbraw/zinc/03/94/69/315039469.db2.gz OGSACVHWHWXEMX-IAGOWNOFSA-N 2 0 337.533 2.089 10 0 EEAERP CC(C)OCC[NH+]1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000445818711 315361193 /nfs/dbraw/zinc/36/11/93/315361193.db2.gz MRFVWIMZHBNPLV-UHFFFAOYSA-N 2 0 342.487 2.474 10 0 EEAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453101710 315634703 /nfs/dbraw/zinc/63/47/03/315634703.db2.gz OQBSAOSGGHDJGD-IRXDYDNUSA-N 2 0 341.503 2.374 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC000525620638 317063906 /nfs/dbraw/zinc/06/39/06/317063906.db2.gz CFXRLDLXEKIZLO-NEWSRXKRSA-N 2 0 344.503 2.235 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000561125626 318825515 /nfs/dbraw/zinc/82/55/15/318825515.db2.gz MYXZFZYIZBAGBJ-KBAYOESNSA-N 2 0 330.476 2.121 10 0 EEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563577882 319024694 /nfs/dbraw/zinc/02/46/94/319024694.db2.gz GYZZBPYLKZNJAS-MJGOQNOKSA-N 2 0 336.524 2.426 10 0 EEAERP C[C@]1(CNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000569323378 319565712 /nfs/dbraw/zinc/56/57/12/319565712.db2.gz OTJHVUDIDCGTRA-AOIWGVFYSA-N 2 0 348.466 2.042 10 0 EEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000576224793 320152225 /nfs/dbraw/zinc/15/22/25/320152225.db2.gz CJWVGNKCCJXLJK-MAUKXSAKSA-N 2 0 332.492 2.375 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000576372135 320166859 /nfs/dbraw/zinc/16/68/59/320166859.db2.gz GAMIHGAHULJHNF-RHSMWYFYSA-N 2 0 336.505 2.136 10 0 EEAERP Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000182990827 323394891 /nfs/dbraw/zinc/39/48/91/323394891.db2.gz IMXCVSBCCDCSQI-UHFFFAOYSA-N 2 0 336.480 2.351 10 0 EEAERP C[C@]1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581478532 324261617 /nfs/dbraw/zinc/26/16/17/324261617.db2.gz VZZATBQBZGYHSR-UYAOXDASSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@]1(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581933274 324343957 /nfs/dbraw/zinc/34/39/57/324343957.db2.gz GEWHVMGSWXXOON-QWFCFKBJSA-N 2 0 344.503 2.468 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000582170709 324394261 /nfs/dbraw/zinc/39/42/61/324394261.db2.gz LKWHERPBQIIVME-QFBILLFUSA-N 2 0 344.503 2.470 10 0 EEAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288092 465093839 /nfs/dbraw/zinc/09/38/39/465093839.db2.gz MBVVWIMKUPGFQX-XLIONFOSSA-N 2 0 331.504 2.243 10 0 EEAERP C[NH+](C)CCOC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358724425 465285989 /nfs/dbraw/zinc/28/59/89/465285989.db2.gz OWDCDPNVDLCKJX-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC1CC[NH+](CCCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000060760305 462565242 /nfs/dbraw/zinc/56/52/42/462565242.db2.gz IMFISVXXVYONSS-UHFFFAOYSA-N 2 0 347.503 2.479 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000115801096 462729206 /nfs/dbraw/zinc/72/92/06/462729206.db2.gz VKSQRIRYKAMINO-OAHLLOKOSA-N 2 0 348.466 2.171 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000093899112 463051976 /nfs/dbraw/zinc/05/19/76/463051976.db2.gz ZDOGFKKWJPXTRX-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000105294034 463448953 /nfs/dbraw/zinc/44/89/53/463448953.db2.gz UUGOKSCDRIWNIG-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107834868 463585190 /nfs/dbraw/zinc/58/51/90/463585190.db2.gz RCRWFYCUMHFQHH-AEFFLSMTSA-N 2 0 334.508 2.131 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000261688649 463827615 /nfs/dbraw/zinc/82/76/15/463827615.db2.gz NLSMSFGVKOSPQZ-KSSFIOAISA-N 2 0 333.451 2.467 10 0 EEAERP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261892929 463891234 /nfs/dbraw/zinc/89/12/34/463891234.db2.gz XPXSOSBOQRIFCG-PMPSAXMXSA-N 2 0 340.512 2.295 10 0 EEAERP C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261946454 463907421 /nfs/dbraw/zinc/90/74/21/463907421.db2.gz FJTMSYDYSQVOOL-AZUAARDMSA-N 2 0 331.504 2.209 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807159 463928716 /nfs/dbraw/zinc/92/87/16/463928716.db2.gz RSZVQBNFGDAGDA-IBGZPJMESA-N 2 0 342.487 2.141 10 0 EEAERP COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1O ZINC000180117642 464246235 /nfs/dbraw/zinc/24/62/35/464246235.db2.gz CZPDLSXZRIYTFP-UHFFFAOYSA-N 2 0 333.476 2.049 10 0 EEAERP COc1ccc([C@H]2[C@H](CNC(=O)C3CC[NH2+]CC3)CCC[N@@H+]2C)cc1 ZINC000237384428 464311830 /nfs/dbraw/zinc/31/18/30/464311830.db2.gz FDFHIIMQVFKPLH-HKUYNNGSSA-N 2 0 345.487 2.194 10 0 EEAERP C[C@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1ccnc1 ZINC000245745132 464512888 /nfs/dbraw/zinc/51/28/88/464512888.db2.gz XVRFFFITHUETAE-WMLDXEAASA-N 2 0 338.411 2.062 10 0 EEAERP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]2C[C@H]2C1 ZINC000339582593 465363321 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10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000367416694 466322944 /nfs/dbraw/zinc/32/29/44/466322944.db2.gz XUFFEEDBZJQODD-GOSISDBHSA-N 2 0 342.487 2.141 10 0 EEAERP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310551678 466515476 /nfs/dbraw/zinc/51/54/76/466515476.db2.gz WSPAICDLOVGOCC-QZTJIDSGSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000368428986 466633800 /nfs/dbraw/zinc/63/38/00/466633800.db2.gz KFXUJLVUYSTMKI-LORHWOILSA-N 2 0 345.487 2.287 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422893781 466686581 /nfs/dbraw/zinc/68/65/81/466686581.db2.gz ASGRBMADGVYCIR-NDUPCHFUSA-N 2 0 327.472 2.459 10 0 EEAERP COc1ccc(OC)c(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250352 472042316 /nfs/dbraw/zinc/04/23/16/472042316.db2.gz GNCSURKDOHYZRJ-QGZVFWFLSA-N 2 0 332.444 2.189 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417236352 466811785 /nfs/dbraw/zinc/81/17/85/466811785.db2.gz FGZDCJDALQDBRN-VPSFDDGASA-N 2 0 336.524 2.421 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417656894 466901207 /nfs/dbraw/zinc/90/12/07/466901207.db2.gz VMTAHAJDIRITIW-OALUTQOASA-N 2 0 342.487 2.187 10 0 EEAERP CCn1nncc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000417860581 466960194 /nfs/dbraw/zinc/96/01/94/466960194.db2.gz VLJZKKKXRQNOBS-HOTGVXAUSA-N 2 0 343.475 2.197 10 0 EEAERP CCO[C@H]1C[C@@](CO)([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000436379486 467533044 /nfs/dbraw/zinc/53/30/44/467533044.db2.gz QKOYHKGJWMYQJM-HKUYNNGSSA-N 2 0 344.459 2.231 10 0 EEAERP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000530245462 467967588 /nfs/dbraw/zinc/96/75/88/467967588.db2.gz YMYWXHLPGQVTPN-YJBOKZPZSA-N 2 0 334.460 2.344 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000531446162 468053486 /nfs/dbraw/zinc/05/34/86/468053486.db2.gz UKADRLNPFLXFHP-RDJZCZTQSA-N 2 0 330.476 2.205 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000570769668 468687670 /nfs/dbraw/zinc/68/76/70/468687670.db2.gz VJHVTRMYHXTPOI-INIZCTEOSA-N 2 0 343.471 2.240 10 0 EEAERP C[C@@H](CSCCF)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000595003124 468741832 /nfs/dbraw/zinc/74/18/32/468741832.db2.gz DTOVEVGOTPRBCS-KRWDZBQOSA-N 2 0 339.524 2.485 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000595011434 468742944 /nfs/dbraw/zinc/74/29/44/468742944.db2.gz YJLOGJDWIVNOKH-JKSUJKDBSA-N 2 0 340.508 2.445 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595014539 468743868 /nfs/dbraw/zinc/74/38/68/468743868.db2.gz BAQHPSDKUKVKGQ-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000561077948 468862373 /nfs/dbraw/zinc/86/23/73/468862373.db2.gz LXUWFYODLIGLEU-FUHWJXTLSA-N 2 0 327.472 2.099 10 0 EEAERP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000584519047 468890700 /nfs/dbraw/zinc/89/07/00/468890700.db2.gz SJPPPHWVYZCDGC-QFBILLFUSA-N 2 0 344.503 2.470 10 0 EEAERP C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000562800618 469076189 /nfs/dbraw/zinc/07/61/89/469076189.db2.gz KMXSOFZIGJHBEP-PXNSSMCTSA-N 2 0 344.503 2.292 10 0 EEAERP COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000601972795 469119926 /nfs/dbraw/zinc/11/99/26/469119926.db2.gz PKHWBPQEVVTBNC-GDBMZVCRSA-N 2 0 334.460 2.495 10 0 EEAERP COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000601972806 469119968 /nfs/dbraw/zinc/11/99/68/469119968.db2.gz PKHWBPQEVVTBNC-ZBFHGGJFSA-N 2 0 334.460 2.495 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000563150275 469182592 /nfs/dbraw/zinc/18/25/92/469182592.db2.gz NNEQBHJBZBKNDK-LJQANCHMSA-N 2 0 344.459 2.027 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000615262740 469195543 /nfs/dbraw/zinc/19/55/43/469195543.db2.gz CFLPVSYJMUMBFS-QRVBRYPASA-N 2 0 345.487 2.001 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000625834065 469404044 /nfs/dbraw/zinc/40/40/44/469404044.db2.gz HEKZVOFGHYYULM-HOTGVXAUSA-N 2 0 345.491 2.009 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000629529116 469573344 /nfs/dbraw/zinc/57/33/44/469573344.db2.gz RXVQUPFYDRWTCK-CQSZACIVSA-N 2 0 331.229 2.401 10 0 EEAERP CC(C)([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1nc2ccccc2s1 ZINC000629650654 469599045 /nfs/dbraw/zinc/59/90/45/469599045.db2.gz ZLPDZQAPNZVXMG-CYBMUJFWSA-N 2 0 346.500 2.318 10 0 EEAERP COc1ccc(CN2CC[C@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2=O)cc1 ZINC000623420624 469651184 /nfs/dbraw/zinc/65/11/84/469651184.db2.gz JXZTVPNOKZWLFR-AEFFLSMTSA-N 2 0 345.487 2.259 10 0 EEAERP C[N@@H+]1CC[C@@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428916 469653981 /nfs/dbraw/zinc/65/39/81/469653981.db2.gz DXDBWUQUYQDPEB-QUCCMNQESA-N 2 0 331.504 2.086 10 0 EEAERP CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607241298 469677237 /nfs/dbraw/zinc/67/72/37/469677237.db2.gz IEZUGURGUISNLC-DLBZAZTESA-N 2 0 326.529 2.336 10 0 EEAERP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715046 469742739 /nfs/dbraw/zinc/74/27/39/469742739.db2.gz RKTHFKMOVDZMDE-SJLPKXTDSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000624074400 469832938 /nfs/dbraw/zinc/83/29/38/469832938.db2.gz BFIARRRWXFVMBZ-SZMVWBNQSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199907 469841334 /nfs/dbraw/zinc/84/13/34/469841334.db2.gz FZGAFFYZFHQITF-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP Cn1ccnc1C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000608648144 469853163 /nfs/dbraw/zinc/85/31/63/469853163.db2.gz NVWFAQZUOANOLV-IAGOWNOFSA-N 2 0 341.459 2.097 10 0 EEAERP [NH3+][C@H](c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C1CCOCC1 ZINC000630591807 469914263 /nfs/dbraw/zinc/91/42/63/469914263.db2.gz HPBNSOSFSIOHCM-HKUYNNGSSA-N 2 0 341.459 2.152 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3nccc4ccsc43)C2)CC1 ZINC000625518560 470159522 /nfs/dbraw/zinc/15/95/22/470159522.db2.gz CZUJNLKKSKOVCY-CQSZACIVSA-N 2 0 344.484 2.195 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698095 470280710 /nfs/dbraw/zinc/28/07/10/470280710.db2.gz AFSBHGMZZALZLB-PMACEKPBSA-N 2 0 332.488 2.284 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649102254 470463104 /nfs/dbraw/zinc/46/31/04/470463104.db2.gz ZMEVXMWTUNGQEQ-RWQQGDIJSA-N 2 0 329.488 2.321 10 0 EEAERP COc1ccccc1CN(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899715 471010334 /nfs/dbraw/zinc/01/03/34/471010334.db2.gz SXOOLFXAIIMSEE-WMZOPIPTSA-N 2 0 345.487 2.118 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000647900706 471011519 /nfs/dbraw/zinc/01/15/19/471011519.db2.gz FLKAIWBODHWPHQ-GDBMZVCRSA-N 2 0 345.443 2.208 10 0 EEAERP COc1cc(OC)c(C[NH2+]CCCC[NH+]2CCOCC2)cc1F ZINC000651678829 471080895 /nfs/dbraw/zinc/08/08/95/471080895.db2.gz GCHFJBSFAUAZSU-UHFFFAOYSA-N 2 0 326.412 2.045 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657351227 471108838 /nfs/dbraw/zinc/10/88/38/471108838.db2.gz MSZOSWHTLNGCRF-UHFFFAOYSA-N 2 0 343.475 2.276 10 0 EEAERP CC(C)[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638514307 471128399 /nfs/dbraw/zinc/12/83/99/471128399.db2.gz SWBQFULDNUAAMQ-RTBURBONSA-N 2 0 329.488 2.355 10 0 EEAERP COc1ccc(C2CC[NH+](Cc3cnc(N(C)C)n3C)CC2)nc1 ZINC000651869750 471151598 /nfs/dbraw/zinc/15/15/98/471151598.db2.gz CKSQOMVKPVPXPX-UHFFFAOYSA-N 2 0 329.448 2.269 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000657573150 471172071 /nfs/dbraw/zinc/17/20/71/471172071.db2.gz KKXLOANPINKBSG-KRWDZBQOSA-N 2 0 329.492 2.234 10 0 EEAERP C[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000652239945 471260597 /nfs/dbraw/zinc/26/05/97/471260597.db2.gz JXPWWDUAPFZMAG-QGZVFWFLSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652241314 471260769 /nfs/dbraw/zinc/26/07/69/471260769.db2.gz DFFMGUSTNBNMOD-DLBZAZTESA-N 2 0 336.524 2.411 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000652283308 471266548 /nfs/dbraw/zinc/26/65/48/471266548.db2.gz BSDVAXCCUREDCT-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C[C@H]1C[NH3+] ZINC000652356457 471278243 /nfs/dbraw/zinc/27/82/43/471278243.db2.gz LKMLINWICXKLIK-IEBWSBKVSA-N 2 0 328.460 2.285 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243313 471290347 /nfs/dbraw/zinc/29/03/47/471290347.db2.gz WMHHGZHHBRBILT-ZJPYXAASSA-N 2 0 339.524 2.111 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)NCCC3(C[NH3+])CC3)c2)CC1 ZINC000652596042 471311793 /nfs/dbraw/zinc/31/17/93/471311793.db2.gz NYSMXEPBKCRFBT-UHFFFAOYSA-N 2 0 345.491 2.079 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC/C=C/C[NH3+] ZINC000669117738 471385833 /nfs/dbraw/zinc/38/58/33/471385833.db2.gz BLNBDTAGAJVVLG-JFDDCEBESA-N 2 0 330.476 2.375 10 0 EEAERP CN(c1ccccc1CN1CC[C@@H](F)[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000663505185 471404013 /nfs/dbraw/zinc/40/40/13/471404013.db2.gz HVFIKJXIXYKWMS-QZTJIDSGSA-N 2 0 334.483 2.088 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000652990969 471442506 /nfs/dbraw/zinc/44/25/06/471442506.db2.gz KVTFHQZYRRPEPE-UHFFFAOYSA-N 2 0 329.488 2.379 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(F)F ZINC000666600774 471461082 /nfs/dbraw/zinc/46/10/82/471461082.db2.gz KZLSFQHQIFQLMO-GOEBONIOSA-N 2 0 346.466 2.089 10 0 EEAERP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1S(C)(=O)=O ZINC000655806211 471489308 /nfs/dbraw/zinc/48/93/08/471489308.db2.gz RLQJDNJEDOGAPY-NFAWXSAZSA-N 2 0 340.489 2.090 10 0 EEAERP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1S(C)(=O)=O ZINC000655806210 471489667 /nfs/dbraw/zinc/48/96/67/471489667.db2.gz RLQJDNJEDOGAPY-KCQAQPDRSA-N 2 0 340.489 2.090 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806511 471489753 /nfs/dbraw/zinc/48/97/53/471489753.db2.gz XNLOVGOJEHRGKB-CPUCHLNUSA-N 2 0 339.505 2.439 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC000653108130 471491936 /nfs/dbraw/zinc/49/19/36/471491936.db2.gz JYWZHKHMMLDQQP-KNBMTAEXSA-N 2 0 343.471 2.093 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000655827318 471496877 /nfs/dbraw/zinc/49/68/77/471496877.db2.gz RPDMTKUUJHZHMJ-VDISTLRHSA-N 2 0 337.830 2.490 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655907785 471530782 /nfs/dbraw/zinc/53/07/82/471530782.db2.gz OPOCBLXNRRRFAP-HRCADAONSA-N 2 0 348.491 2.415 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2n(n1)CCCC2 ZINC000656261149 471657248 /nfs/dbraw/zinc/65/72/48/471657248.db2.gz CVAPVYRKONJEII-LJQANCHMSA-N 2 0 333.524 2.067 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396806 471741254 /nfs/dbraw/zinc/74/12/54/471741254.db2.gz MHIYRRJLPDOXFP-SJORKVTESA-N 2 0 332.492 2.461 10 0 EEAERP C[C@H](CC[NH+]1C[C@H](C)C(O)[C@@H](C)C1)CC[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621320 471829509 /nfs/dbraw/zinc/82/95/09/471829509.db2.gz MZDWAEVHTKNXTA-UIFYRBHJSA-N 2 0 340.552 2.300 10 0 EEAERP CC1(C)CC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680317 471864653 /nfs/dbraw/zinc/86/46/53/471864653.db2.gz CRARZFQBCZUNRS-KRWDZBQOSA-N 2 0 330.476 2.146 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1CCC(F)(F)CC1 ZINC000664826364 471872419 /nfs/dbraw/zinc/87/24/19/471872419.db2.gz XTVMYOJNCRDYLQ-AWEZNQCLSA-N 2 0 348.482 2.383 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667789600 471905449 /nfs/dbraw/zinc/90/54/49/471905449.db2.gz SWTJWYIXSRGWFM-LEWJYISDSA-N 2 0 343.515 2.481 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000667811438 471916962 /nfs/dbraw/zinc/91/69/62/471916962.db2.gz MGCQDQHDIQBAJU-KURKYZTESA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030466 471963198 /nfs/dbraw/zinc/96/31/98/471963198.db2.gz FQVALEUJGFOQCX-KBMXLJTQSA-N 2 0 340.427 2.372 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662269636 472050192 /nfs/dbraw/zinc/05/01/92/472050192.db2.gz BUXILBZUIVOIHH-XUVXKRRUSA-N 3 0 343.515 2.180 10 0 EEAERP O=S(=O)(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662296158 472060549 /nfs/dbraw/zinc/06/05/49/472060549.db2.gz YDLXBJADUZTVST-QGZVFWFLSA-N 2 0 336.501 2.172 10 0 EEAERP CN(c1ccccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000668598180 472189473 /nfs/dbraw/zinc/18/94/73/472189473.db2.gz JECJQGMLLOJCBV-FXAWDEMLSA-N 2 0 329.488 2.174 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000600757382 485626064 /nfs/dbraw/zinc/62/60/64/485626064.db2.gz VRVXIXCPOPPNQW-OAHLLOKOSA-N 2 0 338.473 2.125 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000310278488 485632535 /nfs/dbraw/zinc/63/25/35/485632535.db2.gz KFELOPIEVXHZBY-CZUORRHYSA-N 2 0 343.393 2.165 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000675180181 485921729 /nfs/dbraw/zinc/92/17/29/485921729.db2.gz DVYTYQJEJZBBLO-MOPGFXCFSA-N 2 0 346.519 2.333 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000675624590 486031927 /nfs/dbraw/zinc/03/19/27/486031927.db2.gz WTMBCRFNTMGOIR-RHSMWYFYSA-N 2 0 342.447 2.461 10 0 EEAERP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC([NH+](C)C)CC1 ZINC000681082442 486133202 /nfs/dbraw/zinc/13/32/02/486133202.db2.gz LZGUDXVWTMPLST-AWEZNQCLSA-N 2 0 341.459 2.430 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000672754009 486184653 /nfs/dbraw/zinc/18/46/53/486184653.db2.gz HOUBUCLDZVNEJD-BQFCYCMXSA-N 2 0 332.492 2.380 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673186805 486289919 /nfs/dbraw/zinc/28/99/19/486289919.db2.gz WLOZHOXUZIEWEC-IRXDYDNUSA-N 2 0 332.492 2.243 10 0 EEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000462728169 535302644 /nfs/dbraw/zinc/30/26/44/535302644.db2.gz HTMKQMCEJVUMPD-BRWVUGGUSA-N 2 0 326.529 2.479 10 0 EEAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422691902 535609033 /nfs/dbraw/zinc/60/90/33/535609033.db2.gz JCNBGVMZJNMSKR-VQTJNVASSA-N 2 0 331.504 2.385 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000758273467 577620659 /nfs/dbraw/zinc/62/06/59/577620659.db2.gz NLYFUBGGTFNYJR-KZNAEPCWSA-N 2 0 346.544 2.380 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000764605973 577739806 /nfs/dbraw/zinc/73/98/06/577739806.db2.gz IFVGZSMPSJJDDA-HKUYNNGSSA-N 2 0 329.488 2.499 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CCC(C[NH+](C)C)CC1 ZINC000749736972 577980958 /nfs/dbraw/zinc/98/09/58/577980958.db2.gz SWBMTKPXFGUZET-GPANFISMSA-N 2 0 326.554 2.055 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000741488640 578120245 /nfs/dbraw/zinc/12/02/45/578120245.db2.gz LTVXYAVDKYWDRF-LSDHHAIUSA-N 2 0 328.570 2.111 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C1CCC1 ZINC000925039061 682650219 /nfs/dbraw/zinc/65/02/19/682650219.db2.gz ABRXMFMQYRYHFY-HOTGVXAUSA-N 2 0 331.508 2.427 10 0 EEAERP C[NH+](C)C[C@H](N[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000925716133 686341770 /nfs/dbraw/zinc/34/17/70/686341770.db2.gz BJQPADYLFRMXOW-DOMZBBRYSA-N 2 0 332.275 2.174 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925214303 687556526 /nfs/dbraw/zinc/55/65/26/687556526.db2.gz FILWODCOUJDQNE-XLIONFOSSA-N 2 0 330.520 2.408 10 0 EEAERP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[NH2+][C@H]([C@H]5CCCO5)C4)n3)cc12 ZINC000904707191 694455532 /nfs/dbraw/zinc/45/55/32/694455532.db2.gz FGAURLWGEAHPSC-VNQPRFMTSA-N 2 0 339.399 2.399 10 0 EEAERP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[NH2+][C@@H]([C@@H]5CCCO5)C4)n3)cc12 ZINC000904707185 694455580 /nfs/dbraw/zinc/45/55/80/694455580.db2.gz FGAURLWGEAHPSC-BMFZPTHFSA-N 2 0 339.399 2.399 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC[N@@H+]1C ZINC000925314075 691641113 /nfs/dbraw/zinc/64/11/13/691641113.db2.gz CRORNDGGSOIVQQ-WMZOPIPTSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924627004 692900443 /nfs/dbraw/zinc/90/04/43/692900443.db2.gz CDJNMVCAJJOGAV-MJGOQNOKSA-N 2 0 330.520 2.408 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588510 1191858435 /nfs/dbraw/zinc/85/84/35/1191858435.db2.gz ZHPODYJDMFOUPK-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]21 ZINC001485613687 1191862584 /nfs/dbraw/zinc/86/25/84/1191862584.db2.gz ABYSHDOUCLOBNJ-XYYAHUGASA-N 2 0 341.908 2.147 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)o1 ZINC001485735424 1191914597 /nfs/dbraw/zinc/91/45/97/1191914597.db2.gz IUUBREFENAAQGN-ZDUSSCGKSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1csc(C[NH+](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)n1 ZINC001485767106 1191940931 /nfs/dbraw/zinc/94/09/31/1191940931.db2.gz DRQDPMKSZQITGY-UHFFFAOYSA-N 2 0 338.521 2.215 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC001485768038 1191942252 /nfs/dbraw/zinc/94/22/52/1191942252.db2.gz XRVSTWNAZSPAAS-SJORKVTESA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1cnccn1 ZINC001485784993 1191951464 /nfs/dbraw/zinc/95/14/64/1191951464.db2.gz KEWREMOJKDATOI-JKSUJKDBSA-N 2 0 347.507 2.142 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001266368521 1176432831 /nfs/dbraw/zinc/43/28/31/1176432831.db2.gz JRVZOJDXERRAOK-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(Cl)n1)C1CC1)[NH+](C)C ZINC001266439897 1176537409 /nfs/dbraw/zinc/53/74/09/1176537409.db2.gz ZEUSEIISFCVSQP-GJZGRUSLSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001691310347 1177884538 /nfs/dbraw/zinc/88/45/38/1177884538.db2.gz ZULCXDQHUFCYLH-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCF)CC1 ZINC001267184520 1178446961 /nfs/dbraw/zinc/44/69/61/1178446961.db2.gz ATIMSKUUMIXOIR-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCF)CC1 ZINC001267184522 1178446967 /nfs/dbraw/zinc/44/69/67/1178446967.db2.gz ATIMSKUUMIXOIR-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccc(F)cc1 ZINC001480922935 1178452521 /nfs/dbraw/zinc/45/25/21/1178452521.db2.gz IOUIIBPCUYNPDN-MSOLQXFVSA-N 2 0 333.451 2.391 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)N(C)C(=O)CC[NH+](C)C ZINC001496149453 1178579610 /nfs/dbraw/zinc/57/96/10/1178579610.db2.gz LVWDNCPXKDYJEQ-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001691441485 1178632245 /nfs/dbraw/zinc/63/22/45/1178632245.db2.gz PLRKBHFTPYSYPL-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267270948 1178650121 /nfs/dbraw/zinc/65/01/21/1178650121.db2.gz XXMITFWMFGIPTD-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267279503 1178664942 /nfs/dbraw/zinc/66/49/42/1178664942.db2.gz GJAJAYDFOPSFQS-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccn(C)n1 ZINC001267340569 1178788632 /nfs/dbraw/zinc/78/86/32/1178788632.db2.gz MVFBBKCOQAJRIC-IRXDYDNUSA-N 2 0 349.523 2.010 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480937057 1178923815 /nfs/dbraw/zinc/92/38/15/1178923815.db2.gz ZQMSIXMQUKMYNK-UHFFFAOYSA-N 2 0 344.503 2.157 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267379644 1178928060 /nfs/dbraw/zinc/92/80/60/1178928060.db2.gz BCIIZSQCUOHVSI-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001267397947 1178968432 /nfs/dbraw/zinc/96/84/32/1178968432.db2.gz SEKYAQFMWVDNEM-HNNXBMFYSA-N 2 0 343.462 2.488 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001267444581 1179020177 /nfs/dbraw/zinc/02/01/77/1179020177.db2.gz KJXBTPKYWVMMNR-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001267518384 1179242796 /nfs/dbraw/zinc/24/27/96/1179242796.db2.gz WRRVGGQEICJHSS-RBUKOAKNSA-N 2 0 347.503 2.298 10 0 EEAERP Cc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)n1 ZINC001481060256 1179653121 /nfs/dbraw/zinc/65/31/21/1179653121.db2.gz YHHWTQXYFLIPPO-DNVCBOLYSA-N 2 0 344.503 2.121 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481098796 1179735259 /nfs/dbraw/zinc/73/52/59/1179735259.db2.gz HSXOTWPKZFCAMX-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001481110153 1179761089 /nfs/dbraw/zinc/76/10/89/1179761089.db2.gz ZEINRLBKCAETID-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cnc(C)cn1 ZINC001481146313 1179917947 /nfs/dbraw/zinc/91/79/47/1179917947.db2.gz ZHTGKPKGZSZGGB-INIZCTEOSA-N 2 0 347.507 2.016 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001481266078 1180520836 /nfs/dbraw/zinc/52/08/36/1180520836.db2.gz ZAIBXGDFBYFAOK-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001267920650 1180767066 /nfs/dbraw/zinc/76/70/66/1180767066.db2.gz BHNMVFSAGSWJNF-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267931140 1180780573 /nfs/dbraw/zinc/78/05/73/1180780573.db2.gz KTGQUZSYNUMCSW-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)c1 ZINC001267963870 1180858280 /nfs/dbraw/zinc/85/82/80/1180858280.db2.gz DEXXCWUKZVNVFS-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481334878 1181059822 /nfs/dbraw/zinc/05/98/22/1181059822.db2.gz BAEZFQINSYTMSE-ZBFHGGJFSA-N 2 0 327.488 2.293 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481539557 1181680651 /nfs/dbraw/zinc/68/06/51/1181680651.db2.gz YCTKOIYUAHZRQJ-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001268095885 1181738414 /nfs/dbraw/zinc/73/84/14/1181738414.db2.gz XUNQVIBELOTLIO-QGZVFWFLSA-N 2 0 329.488 2.070 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001268114952 1181759471 /nfs/dbraw/zinc/75/94/71/1181759471.db2.gz VLFLAXRCUYTKQH-GOEBONIOSA-N 2 0 325.522 2.313 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001691500571 1182073229 /nfs/dbraw/zinc/07/32/29/1182073229.db2.gz RCHJPLNUTADVNB-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001481655421 1182139034 /nfs/dbraw/zinc/13/90/34/1182139034.db2.gz ZZUVOMLYTSRWIF-CVEARBPZSA-N 2 0 345.487 2.146 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1CN(Cc2ccc(F)c(Cl)c2)C1 ZINC001481659058 1182156416 /nfs/dbraw/zinc/15/64/16/1182156416.db2.gz XZRYOFLOAZIPEL-UHFFFAOYSA-N 2 0 339.842 2.123 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001268414029 1182566312 /nfs/dbraw/zinc/56/63/12/1182566312.db2.gz PWSSWYCEWABVHJ-LRDDRELGSA-N 2 0 341.883 2.370 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439379 1182614817 /nfs/dbraw/zinc/61/48/17/1182614817.db2.gz OKYNGGCUXIDPNF-YLJYHZDGSA-N 2 0 343.515 2.324 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268458856 1182740799 /nfs/dbraw/zinc/74/07/99/1182740799.db2.gz UGKIRIKGWLUXLF-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001268473209 1182863019 /nfs/dbraw/zinc/86/30/19/1182863019.db2.gz CNEQPGUPZGPFSI-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)Cc1cnc[nH]1 ZINC001268483459 1182941723 /nfs/dbraw/zinc/94/17/23/1182941723.db2.gz GZKSMTYFIGFXAA-ZDUSSCGKSA-N 2 0 328.407 2.216 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC001268538702 1183199671 /nfs/dbraw/zinc/19/96/71/1183199671.db2.gz MGIZIYNIDXRSJP-HMSPERNYSA-N 2 0 345.462 2.491 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001268596230 1183443384 /nfs/dbraw/zinc/44/33/84/1183443384.db2.gz MGVMAAONEHPZQQ-WRFKIARRSA-N 2 0 330.476 2.107 10 0 EEAERP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+][C@@H](C)c1ccccc1 ZINC001482157048 1183475647 /nfs/dbraw/zinc/47/56/47/1183475647.db2.gz RPVDAWAOIIHPHJ-SJORKVTESA-N 2 0 347.503 2.200 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001482160363 1183484633 /nfs/dbraw/zinc/48/46/33/1183484633.db2.gz DOZBJKOAESYYGS-JKSUJKDBSA-N 2 0 345.487 2.194 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C\c1ccccc1)[C@@]12CC[N@H+](C1)CCC2 ZINC001268619970 1183538226 /nfs/dbraw/zinc/53/82/26/1183538226.db2.gz VAVRUYUBIDTHRO-BJCRNIAFSA-N 2 0 339.483 2.448 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCOc1ccccc1)[NH+]1CCCCCC1 ZINC001268706244 1183627643 /nfs/dbraw/zinc/62/76/43/1183627643.db2.gz ALFFCIKLRMWBDS-ZWKOTPCHSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCO1)[NH+]1CCCCCC1 ZINC001268868580 1183777060 /nfs/dbraw/zinc/77/70/60/1183777060.db2.gz IJNSWALSVSDJQO-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269251195 1184102325 /nfs/dbraw/zinc/10/23/25/1184102325.db2.gz MELZLNLUJMFQJJ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482285422 1185069595 /nfs/dbraw/zinc/06/95/95/1185069595.db2.gz VXQJBHZRSPDPDG-AWEZNQCLSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C2CCCC2)C1 ZINC001270457596 1185108522 /nfs/dbraw/zinc/10/85/22/1185108522.db2.gz DMQBJMKQQFUMDI-KBPBESRZSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CCc1ccccc1 ZINC001270478618 1185121284 /nfs/dbraw/zinc/12/12/84/1185121284.db2.gz SRMULYQTIDQPGV-QGZVFWFLSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1nccn1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001270505493 1185134169 /nfs/dbraw/zinc/13/41/69/1185134169.db2.gz RWBVRRIYNCTMAE-SJORKVTESA-N 2 0 336.455 2.397 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270770779 1185380288 /nfs/dbraw/zinc/38/02/88/1185380288.db2.gz YAPWUUATXULDMM-YJBOKZPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001482340565 1185439030 /nfs/dbraw/zinc/43/90/30/1185439030.db2.gz JMNNFIOVCILQEI-VXGBXAGGSA-N 2 0 349.504 2.298 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001482387888 1185593634 /nfs/dbraw/zinc/59/36/34/1185593634.db2.gz SVEQCCKMWWXMBV-JKSUJKDBSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1nccs1 ZINC001482498844 1186406051 /nfs/dbraw/zinc/40/60/51/1186406051.db2.gz BMHHTMRQXDZESQ-CABCVRRESA-N 2 0 338.521 2.200 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001271883672 1186578015 /nfs/dbraw/zinc/57/80/15/1186578015.db2.gz CQVJIWOHJQEGBD-QZTJIDSGSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001482569584 1186903479 /nfs/dbraw/zinc/90/34/79/1186903479.db2.gz CBATYCJMAOHCNJ-RBUKOAKNSA-N 2 0 331.504 2.220 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCc1ccccc1F ZINC001279149190 1186954309 /nfs/dbraw/zinc/95/43/09/1186954309.db2.gz NRQMGMCIYAJCQX-RDJZCZTQSA-N 2 0 335.467 2.004 10 0 EEAERP CC(C)C[C@H](C(=O)N(C)CCN(C)Cc1ccccn1)n1ccnc1 ZINC001482606162 1187361966 /nfs/dbraw/zinc/36/19/66/1187361966.db2.gz OTXBMOHCVUWGBF-GOSISDBHSA-N 2 0 343.475 2.456 10 0 EEAERP Cc1nc(C[NH+]2CC[C@H]3CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]32)oc1C ZINC001482664396 1187517061 /nfs/dbraw/zinc/51/70/61/1187517061.db2.gz FKBYMXRWZNBWSD-DLBZAZTESA-N 2 0 348.491 2.054 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCCF)C2)CC1 ZINC001279170757 1193503848 /nfs/dbraw/zinc/50/38/48/1193503848.db2.gz OWCNLSKJVROIHG-DOTOQJQBSA-N 2 0 327.488 2.151 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001482682292 1187634955 /nfs/dbraw/zinc/63/49/55/1187634955.db2.gz NHDUCUXUGVUQCL-GDBMZVCRSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482817241 1187750178 /nfs/dbraw/zinc/75/01/78/1187750178.db2.gz SRYWKXFDHLGRHN-YPMHNXCESA-N 2 0 329.897 2.480 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001482832787 1187752256 /nfs/dbraw/zinc/75/22/56/1187752256.db2.gz XHWQSFVTUYXBOA-QFBILLFUSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482876860 1187796072 /nfs/dbraw/zinc/79/60/72/1187796072.db2.gz LMSMHSPQUDBKBP-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)CC[NH+](C)C ZINC001482948283 1187887242 /nfs/dbraw/zinc/88/72/42/1187887242.db2.gz QULGFWRLWPAPTB-UHFFFAOYSA-N 2 0 328.460 2.125 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CCCCC1)[C@@H]1CCn2ccnc2C1 ZINC001483028423 1188039381 /nfs/dbraw/zinc/03/93/81/1188039381.db2.gz GMVSESFOACWZSU-LAQIPUCWSA-N 2 0 330.476 2.288 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001691620838 1188321483 /nfs/dbraw/zinc/32/14/83/1188321483.db2.gz PCCSYMDGJLRBNA-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)C[C@@H](C(=O)N[C@H](C)CNCc1nccs1)n1ccnc1 ZINC001483138799 1188690979 /nfs/dbraw/zinc/69/09/79/1188690979.db2.gz USXZHXFJGPVOPX-KGLIPLIRSA-N 2 0 335.477 2.221 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483141132 1188702001 /nfs/dbraw/zinc/70/20/01/1188702001.db2.gz QPKQEXYQRZAQST-DGCLKSJQSA-N 2 0 329.897 2.480 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001272873045 1193587878 /nfs/dbraw/zinc/58/78/78/1193587878.db2.gz FOJUMDINQPKPOE-AEFFLSMTSA-N 2 0 340.471 2.173 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001485874545 1193626857 /nfs/dbraw/zinc/62/68/57/1193626857.db2.gz ZIZQHHPGFAPILJ-HOCLYGCPSA-N 2 0 338.521 2.261 10 0 EEAERP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001485881529 1193628151 /nfs/dbraw/zinc/62/81/51/1193628151.db2.gz HUNAIHFZOQLKQV-UONOGXRCSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001409666921 1190165837 /nfs/dbraw/zinc/16/58/37/1190165837.db2.gz ADKHYCMVNPTMEU-KDOFPFPSSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(C)n1 ZINC001483266366 1190291389 /nfs/dbraw/zinc/29/13/89/1190291389.db2.gz JDQLLSYBMMTHLL-HNNXBMFYSA-N 2 0 334.508 2.271 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483338719 1190369000 /nfs/dbraw/zinc/36/90/00/1190369000.db2.gz IKALBXGTHIUBFK-QFBILLFUSA-N 2 0 329.488 2.007 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ns1 ZINC001483512051 1190525256 /nfs/dbraw/zinc/52/52/56/1190525256.db2.gz NOAIAIUTSSIZLV-INIZCTEOSA-N 2 0 338.521 2.264 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccccc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483561545 1190550453 /nfs/dbraw/zinc/55/04/53/1190550453.db2.gz SZGDQZYRPNQXJQ-RTBURBONSA-N 2 0 327.472 2.013 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1c(F)cccc1F)C1CC1)C12CC[NH+](CC1)C2 ZINC001483601777 1190582716 /nfs/dbraw/zinc/58/27/16/1190582716.db2.gz QFRDBNXICZTYMY-KRWDZBQOSA-N 2 0 349.425 2.045 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1cc(C)no1 ZINC001483620632 1190602604 /nfs/dbraw/zinc/60/26/04/1190602604.db2.gz AHFFUZHGMCTNLB-RDJZCZTQSA-N 2 0 336.480 2.040 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cc(C)ns1 ZINC001483621641 1190605149 /nfs/dbraw/zinc/60/51/49/1190605149.db2.gz QKWCQFSCXQFINQ-GDBMZVCRSA-N 2 0 338.521 2.120 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001272345056 1190778268 /nfs/dbraw/zinc/77/82/68/1190778268.db2.gz ZTSYROHQARXLHC-RDJZCZTQSA-N 2 0 335.517 2.261 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001272345057 1190778401 /nfs/dbraw/zinc/77/84/01/1190778401.db2.gz ZTSYROHQARXLHC-WBVHZDCISA-N 2 0 335.517 2.261 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2c(F)cccc2F)C1 ZINC001272553842 1190876416 /nfs/dbraw/zinc/87/64/16/1190876416.db2.gz BUQLZOXOZFKPMX-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CCOCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001483801094 1191042352 /nfs/dbraw/zinc/04/23/52/1191042352.db2.gz GCTPEKXLAAAAIA-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1nccn1CC(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001483955642 1191130243 /nfs/dbraw/zinc/13/02/43/1191130243.db2.gz NGUOPTJOFAUKAY-HNNXBMFYSA-N 2 0 332.473 2.076 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001483973727 1191137455 /nfs/dbraw/zinc/13/74/55/1191137455.db2.gz FOGFUNCMQJXCBJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001484116103 1191218156 /nfs/dbraw/zinc/21/81/56/1191218156.db2.gz VUDJJILGGANTNO-JXFKEZNVSA-N 2 0 344.503 2.060 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](C)F)C[C@@H]2C1)[NH+](CC)CC ZINC001484412082 1191339281 /nfs/dbraw/zinc/33/92/81/1191339281.db2.gz JLLCHQNZNLCTBL-MWDXBVQZSA-N 2 0 327.488 2.245 10 0 EEAERP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001484442236 1191350349 /nfs/dbraw/zinc/35/03/49/1191350349.db2.gz FABPCMDRDYXHMA-AZUAARDMSA-N 2 0 347.503 2.033 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C\Cl ZINC001484460170 1191364684 /nfs/dbraw/zinc/36/46/84/1191364684.db2.gz MVYUBJGGUXZULA-KQZJAPLZSA-N 2 0 345.890 2.484 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484535138 1191399218 /nfs/dbraw/zinc/39/92/18/1191399218.db2.gz GRNUMKZHWIRMHN-XIRDDKMYSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001484574408 1191423044 /nfs/dbraw/zinc/42/30/44/1191423044.db2.gz BDBUWDROJUKBOT-ZHXFTVOOSA-N 2 0 327.900 2.345 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CCCCCF)CC2)C1 ZINC001484926718 1191573440 /nfs/dbraw/zinc/57/34/40/1191573440.db2.gz IZOGFFDVYYCRBI-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484928688 1191574533 /nfs/dbraw/zinc/57/45/33/1191574533.db2.gz ZADAFMFHEWAQQO-UHFFFAOYSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]Cc3ccc(F)cn3)CC2)CC1 ZINC001484922822 1191576477 /nfs/dbraw/zinc/57/64/77/1191576477.db2.gz XGMLDSJXBYXYEY-UHFFFAOYSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@H]1C[C@H](NC(=O)CCN2CCOCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001484979315 1191605829 /nfs/dbraw/zinc/60/58/29/1191605829.db2.gz FQDIJZNWMJXZTO-PKOBYXMFSA-N 2 0 349.519 2.178 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CCN2CCOCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001484979314 1191605918 /nfs/dbraw/zinc/60/59/18/1191605918.db2.gz FQDIJZNWMJXZTO-MJGOQNOKSA-N 2 0 349.519 2.178 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccccc1F ZINC001485070194 1191637394 /nfs/dbraw/zinc/63/73/94/1191637394.db2.gz WPXORLGPYPUYIV-QGZVFWFLSA-N 2 0 335.467 2.243 10 0 EEAERP Cc1ccccc1OCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485288954 1191721037 /nfs/dbraw/zinc/72/10/37/1191721037.db2.gz XUTOSRFXHHZPOT-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001485307691 1191727161 /nfs/dbraw/zinc/72/71/61/1191727161.db2.gz BNHPKCGSFOTKOX-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccnc(Cl)c1 ZINC001485350799 1191750817 /nfs/dbraw/zinc/75/08/17/1191750817.db2.gz QCIXJSBAMBKYQB-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001486250468 1193776956 /nfs/dbraw/zinc/77/69/56/1193776956.db2.gz QZXYNZDUJFLBRF-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001273122949 1194405387 /nfs/dbraw/zinc/40/53/87/1194405387.db2.gz KJDKTKXDAYQYLI-MLGOLLRUSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122816 1194405764 /nfs/dbraw/zinc/40/57/64/1194405764.db2.gz ICTFVQBLKBJYHA-STQMWFEESA-N 2 0 348.318 2.151 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001273123464 1194407232 /nfs/dbraw/zinc/40/72/32/1194407232.db2.gz UUMZSJVXQVALAF-WMZOPIPTSA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001410173142 1197582734 /nfs/dbraw/zinc/58/27/34/1197582734.db2.gz BEBHOIHFAZQQKO-GUDVDZBRSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1ncc(C[NH+]2C[C@@H]3CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)o1 ZINC001410189568 1197594104 /nfs/dbraw/zinc/59/41/04/1197594104.db2.gz PQADBYRVKZTSGM-BBWFWOEESA-N 2 0 348.491 2.040 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001410256042 1197639238 /nfs/dbraw/zinc/63/92/38/1197639238.db2.gz XPHLQSGBUZADPT-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)o1 ZINC001410282413 1197658823 /nfs/dbraw/zinc/65/88/23/1197658823.db2.gz PJUUVYGTJDPDES-JKSUJKDBSA-N 2 0 336.480 2.260 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000864914070 1197996590 /nfs/dbraw/zinc/99/65/90/1197996590.db2.gz ZONCDDWXBLUGAE-RBUKOAKNSA-N 2 0 344.503 2.497 10 0 EEAERP [NH3+]C[C@@]1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CCCOC1 ZINC000872175204 1198071429 /nfs/dbraw/zinc/07/14/29/1198071429.db2.gz IXCOREZBWNDBKW-IBGZPJMESA-N 2 0 342.443 2.339 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872287914 1198130677 /nfs/dbraw/zinc/13/06/77/1198130677.db2.gz GGHCNULUZXKSBN-XQPJFTJZSA-N 2 0 341.499 2.313 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001273375530 1198395754 /nfs/dbraw/zinc/39/57/54/1198395754.db2.gz STEXELLTVGMPIG-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cc(Cl)c3ncccc3n2)C[C@H]1C[NH+](C)C ZINC000866010464 1198453799 /nfs/dbraw/zinc/45/37/99/1198453799.db2.gz JLOJUFJNEVGYKN-ZIAGYGMSSA-N 2 0 347.894 2.459 10 0 EEAERP CCc1nc(Cl)c(C)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866012834 1198454303 /nfs/dbraw/zinc/45/43/03/1198454303.db2.gz RQACLBBUNVCEJF-ZIAGYGMSSA-N 2 0 339.915 2.176 10 0 EEAERP CC[N@@H+]1CC[C@@]2(NC(=O)CN(C)CCc3ccccc3)CCC[C@H]12 ZINC001410893586 1198548202 /nfs/dbraw/zinc/54/82/02/1198548202.db2.gz GXZXFNIARGYTQQ-ICSRJNTNSA-N 2 0 329.488 2.294 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001410913217 1198565449 /nfs/dbraw/zinc/56/54/49/1198565449.db2.gz QAHSMIULOCDBJC-HKUYNNGSSA-N 2 0 348.491 2.192 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]C/C(Cl)=C\Cl)C2)CC[N@@H+]1C ZINC001411238363 1198951850 /nfs/dbraw/zinc/95/18/50/1198951850.db2.gz LWAVSGXBVVUMAD-BUPJOMKGSA-N 2 0 334.291 2.225 10 0 EEAERP Cc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccn1C(C)C ZINC000870018095 1200409374 /nfs/dbraw/zinc/40/93/74/1200409374.db2.gz VQDZFIJBKJEDHG-IAGOWNOFSA-N 2 0 334.508 2.189 10 0 EEAERP Cc1cc(F)cc(C)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017387 1200409382 /nfs/dbraw/zinc/40/93/82/1200409382.db2.gz MIFIAVQIRHNSDN-HZPDHXFCSA-N 2 0 335.467 2.254 10 0 EEAERP CS[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870021685 1200412086 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WNJQCRQJLKFJRC-KBPBESRZSA-N 2 0 347.425 2.251 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001491579461 1330172031 /nfs/dbraw/zinc/17/20/31/1330172031.db2.gz LJOHZCWLZVTWOT-MSOLQXFVSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](C[NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001491826592 1330265623 /nfs/dbraw/zinc/26/56/23/1330265623.db2.gz IPQYSPYHXDGBJH-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001316689118 1331340275 /nfs/dbraw/zinc/34/02/75/1331340275.db2.gz SGKGZQMVJNDYFW-DOTOQJQBSA-N 2 0 348.491 2.123 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1OCC ZINC001316693498 1331384544 /nfs/dbraw/zinc/38/45/44/1331384544.db2.gz RFGPMWJODICHTM-RCCFBDPRSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cccc2cccnc21 ZINC001316845418 1331930016 /nfs/dbraw/zinc/93/00/16/1331930016.db2.gz ICQGFUVRIJSCPO-UHFFFAOYSA-N 2 0 328.460 2.125 10 0 EEAERP 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/nfs/dbraw/zinc/09/97/84/1332099784.db2.gz BKWORENIOVJIPK-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001317287426 1332165565 /nfs/dbraw/zinc/16/55/65/1332165565.db2.gz BSSSZJROOIJLTB-HNNXBMFYSA-N 2 0 337.895 2.463 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001317332342 1332183056 /nfs/dbraw/zinc/18/30/56/1332183056.db2.gz ANCPMOKWKKHALG-FUKWUPMWSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001317530465 1332286281 /nfs/dbraw/zinc/28/62/81/1332286281.db2.gz XKYDSHYMRRAYSQ-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)ccc1C ZINC001317601468 1332320422 /nfs/dbraw/zinc/32/04/22/1332320422.db2.gz XFVVKABKZRZQFA-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001317988330 1332458374 /nfs/dbraw/zinc/45/83/74/1332458374.db2.gz WCFKAARDYHBUQW-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC=C(Cl)Cl)CCCC1 ZINC001318627197 1332570016 /nfs/dbraw/zinc/57/00/16/1332570016.db2.gz QNWDFTMVIRGWKZ-LBPRGKRZSA-N 2 0 334.291 2.418 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001320414721 1332878065 /nfs/dbraw/zinc/87/80/65/1332878065.db2.gz KQZFPERZYLJYCW-MRXNPFEDSA-N 2 0 349.523 2.152 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)s1 ZINC001320445758 1332885775 /nfs/dbraw/zinc/88/57/75/1332885775.db2.gz JLPXLPLQCRHOTF-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001320609234 1332920060 /nfs/dbraw/zinc/92/00/60/1332920060.db2.gz RMTDMCBIOYALQA-DOTOQJQBSA-N 2 0 332.492 2.025 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001320780878 1332951820 /nfs/dbraw/zinc/95/18/20/1332951820.db2.gz BEOYTHDLRGMDML-UHFFFAOYSA-N 2 0 329.435 2.098 10 0 EEAERP CCN(CC[NH2+]CCC1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320927725 1332981170 /nfs/dbraw/zinc/98/11/70/1332981170.db2.gz CGHQMYQWTYUYNQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001321284677 1333064293 /nfs/dbraw/zinc/06/42/93/1333064293.db2.gz HBNHWHFCEWUKPJ-XVXNLHAJSA-N 2 0 342.487 2.169 10 0 EEAERP CCc1ccccc1CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394496 1333094196 /nfs/dbraw/zinc/09/41/96/1333094196.db2.gz XLCQJYQOLOFAOV-OVKVCFKUSA-N 2 0 329.488 2.005 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ncccc1C ZINC001322532507 1333278000 /nfs/dbraw/zinc/27/80/00/1333278000.db2.gz ZELVOVWGVUIQCB-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001322544941 1333280210 /nfs/dbraw/zinc/28/02/10/1333280210.db2.gz ZNWVDYBBJPUZGL-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322792289 1333327137 /nfs/dbraw/zinc/32/71/37/1333327137.db2.gz JWGNXQSTMBFYPI-SFHVURJKSA-N 2 0 343.515 2.455 10 0 EEAERP CN(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322793744 1333327678 /nfs/dbraw/zinc/32/76/78/1333327678.db2.gz WPJLTPWVSPOPLJ-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCO1)CC(C)(C)C ZINC001324226075 1333638842 /nfs/dbraw/zinc/63/88/42/1333638842.db2.gz OHJOSURJIYGDDF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001324273651 1333646810 /nfs/dbraw/zinc/64/68/10/1333646810.db2.gz NPALPBKNNSQJOL-CQSZACIVSA-N 2 0 335.414 2.395 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCc2ccsc2)C1 ZINC001324277521 1333648097 /nfs/dbraw/zinc/64/80/97/1333648097.db2.gz PPSNVGYHCOGKLH-DLBZAZTESA-N 2 0 335.517 2.213 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001326300041 1334062522 /nfs/dbraw/zinc/06/25/22/1334062522.db2.gz DRSJGOOVVYYLSC-CQSZACIVSA-N 2 0 347.425 2.395 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC001326410782 1334087718 /nfs/dbraw/zinc/08/77/18/1334087718.db2.gz COVFGRFKDFAEGK-FUHWJXTLSA-N 2 0 349.523 2.132 10 0 EEAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001328282076 1334436402 /nfs/dbraw/zinc/43/64/02/1334436402.db2.gz XQVZUJBOZOIQAJ-SJORKVTESA-N 2 0 337.508 2.033 10 0 EEAERP CCCC[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329875317 1334731535 /nfs/dbraw/zinc/73/15/35/1334731535.db2.gz IEWQABLRWVQLML-DUIXZTDISA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001330501561 1334859189 /nfs/dbraw/zinc/85/91/89/1334859189.db2.gz FQAMLFXNLGBXKL-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001330551941 1334869340 /nfs/dbraw/zinc/86/93/40/1334869340.db2.gz RLFQGKSUAYJUEC-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CCC[NH2+]Cc1coc(C2CC2)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001330767121 1334898675 /nfs/dbraw/zinc/89/86/75/1334898675.db2.gz CDKLVKFPEZWYJT-CJNGLKHVSA-N 2 0 334.464 2.021 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001331485368 1335021853 /nfs/dbraw/zinc/02/18/53/1335021853.db2.gz AXOKHDOPNJUXBF-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001331613554 1335045850 /nfs/dbraw/zinc/04/58/50/1335045850.db2.gz CWONKRIZQQSKLI-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001332206957 1335766866 /nfs/dbraw/zinc/76/68/66/1335766866.db2.gz QICPBOIHIJCIRJ-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001332405550 1335818837 /nfs/dbraw/zinc/81/88/37/1335818837.db2.gz TZDFLZIWNKXVHR-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP CCCCC[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC001332426132 1335822025 /nfs/dbraw/zinc/82/20/25/1335822025.db2.gz AFCFHRYFBBIICE-KRWDZBQOSA-N 2 0 349.523 2.075 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332793213 1335908254 /nfs/dbraw/zinc/90/82/54/1335908254.db2.gz VWXZADQTJKPKPB-CVEARBPZSA-N 2 0 327.513 2.016 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc([C@H](N)c2ccccc2)no1 ZINC001335836941 1336435436 /nfs/dbraw/zinc/43/54/36/1336435436.db2.gz ORLGRRVPXLPBIS-DLBZAZTESA-N 2 0 337.427 2.250 10 0 EEAERP C[C@@H]1CN(C(=[NH2+])NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000849095168 1338839081 /nfs/dbraw/zinc/83/90/81/1338839081.db2.gz LUUGMJXACIPXAC-CRAIPNDOSA-N 2 0 330.476 2.142 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001668218568 1355901353 /nfs/dbraw/zinc/90/13/53/1355901353.db2.gz HNKMTZNREMJLNU-IPELMVKDSA-N 2 0 329.488 2.226 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001434669505 1341904361 /nfs/dbraw/zinc/90/43/61/1341904361.db2.gz FQXNFCFLYVGPHC-RYQLBKOJSA-N 2 0 346.523 2.134 10 0 EEAERP COCCC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001500243920 1342109099 /nfs/dbraw/zinc/10/90/99/1342109099.db2.gz RITOIDZCSCVPLG-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC3=CCCCC3)CCOCC2)CC[N@@H+]1C ZINC001502625647 1342217206 /nfs/dbraw/zinc/21/72/06/1342217206.db2.gz AFVXBCFYYHXRBQ-SJLPKXTDSA-N 2 0 349.519 2.082 10 0 EEAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001506666067 1342307127 /nfs/dbraw/zinc/30/71/27/1342307127.db2.gz OYERPILPDIZTEZ-HZPDHXFCSA-N 2 0 333.520 2.345 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC[C@@H]1CCOC1 ZINC001567016612 1342679443 /nfs/dbraw/zinc/67/94/43/1342679443.db2.gz JMVFXRJQMXIDSR-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001567138358 1342700551 /nfs/dbraw/zinc/70/05/51/1342700551.db2.gz FYLZDZMUXWPYCS-OAHLLOKOSA-N 2 0 335.517 2.071 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001568775780 1342853652 /nfs/dbraw/zinc/85/36/52/1342853652.db2.gz LFAGPMNFPXIUDV-UHFFFAOYSA-N 2 0 338.471 2.137 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C2CCCC2)CC[N@@H+]1C ZINC001569603939 1342906318 /nfs/dbraw/zinc/90/63/18/1342906318.db2.gz IYPZNXGDEHDETR-GVDBMIGSSA-N 2 0 327.488 2.341 10 0 EEAERP CCC/C=C/CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001569734988 1342936643 /nfs/dbraw/zinc/93/66/43/1342936643.db2.gz ZZFIEABHUVXICI-SNAWJCMRSA-N 2 0 349.519 2.084 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC3CC(F)(F)C3)C2)CC1 ZINC001570000738 1342994951 /nfs/dbraw/zinc/99/49/51/1342994951.db2.gz RJKQZXBWNFTAPT-AWEZNQCLSA-N 2 0 343.462 2.202 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001570177529 1343026781 /nfs/dbraw/zinc/02/67/81/1343026781.db2.gz NSVLIXKZWCKHML-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571539814 1343232133 /nfs/dbraw/zinc/23/21/33/1343232133.db2.gz GSRQSYQBGRDXFH-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP CCCCOCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571561879 1343237987 /nfs/dbraw/zinc/23/79/87/1343237987.db2.gz DMUUBNNZWYMOBL-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](C[C@H]3CCCCO3)CC2)CC1 ZINC001677616200 1357373729 /nfs/dbraw/zinc/37/37/29/1357373729.db2.gz JPZNAANTBISJPG-LJQANCHMSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001649439379 1353505350 /nfs/dbraw/zinc/50/53/50/1353505350.db2.gz FECXSGDCQLKESW-MRXNPFEDSA-N 2 0 340.471 2.125 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCc2cccc(F)c2)C1 ZINC001649441159 1353506773 /nfs/dbraw/zinc/50/67/73/1353506773.db2.gz UINYWGVMWVPBPB-INIZCTEOSA-N 2 0 335.467 2.148 10 0 EEAERP COCCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001649461268 1353518358 /nfs/dbraw/zinc/51/83/58/1353518358.db2.gz XASBUBDISCTUJD-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001671252303 1354024970 /nfs/dbraw/zinc/02/49/70/1354024970.db2.gz WFJYZYIUCYPTNV-IAGOWNOFSA-N 2 0 337.508 2.033 10 0 EEAERP c1nc([C@H]2CCCO2)sc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC001655304609 1354169875 /nfs/dbraw/zinc/16/98/75/1354169875.db2.gz IJDYVOFQPMMVLV-OAHLLOKOSA-N 2 0 325.478 2.197 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CC1CC(F)(F)C1)C(=O)CCCC[NH+](C)C ZINC001656106329 1354202563 /nfs/dbraw/zinc/20/25/63/1354202563.db2.gz XRLLLSCVAIHPFQ-HNNXBMFYSA-N 2 0 331.451 2.296 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCOC)[C@@H]2CC)C1 ZINC001656731299 1354269041 /nfs/dbraw/zinc/26/90/41/1354269041.db2.gz ZROGTLXGUSWZEX-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001660180586 1354411334 /nfs/dbraw/zinc/41/13/34/1354411334.db2.gz YFZZMDLDJPGFOZ-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[C@H]1CC(C)(C)CO1 ZINC001660541521 1354484518 /nfs/dbraw/zinc/48/45/18/1354484518.db2.gz CGOFENKOBDPSLK-BZUAXINKSA-N 2 0 348.491 2.157 10 0 EEAERP O=C(NCCC[N@@H+](CCC(F)(F)F)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001660686123 1354516266 /nfs/dbraw/zinc/51/62/66/1354516266.db2.gz YIFOLXBOPYZKRF-HNNXBMFYSA-N 2 0 347.425 2.251 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CC3(Cl)Cl)C2)CCC1 ZINC001661434872 1354638148 /nfs/dbraw/zinc/63/81/48/1354638148.db2.gz BXASGGBXZVZKOH-AVGNSLFASA-N 2 0 348.318 2.291 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001661783677 1354696205 /nfs/dbraw/zinc/69/62/05/1354696205.db2.gz ZCIBISORBODXOG-SOUVJXGZSA-N 2 0 349.441 2.497 10 0 EEAERP O=C(NC1CCC([NH2+]CCOC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001662117095 1354751435 /nfs/dbraw/zinc/75/14/35/1354751435.db2.gz KCXIZYAFQAWFCQ-UHFFFAOYSA-N 2 0 349.519 2.201 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001662219929 1354764810 /nfs/dbraw/zinc/76/48/10/1354764810.db2.gz RHGSRSYLCMEKEH-VQIMIIECSA-N 2 0 329.488 2.055 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001662351479 1354785277 /nfs/dbraw/zinc/78/52/77/1354785277.db2.gz WJSUWJJFSCUAEH-HKUYNNGSSA-N 2 0 347.503 2.423 10 0 EEAERP CN(CC[NH2+]Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981574 1355066959 /nfs/dbraw/zinc/06/69/59/1355066959.db2.gz LJIDPZKLMGNPRD-SFHVURJKSA-N 2 0 330.476 2.037 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001664036575 1355078978 /nfs/dbraw/zinc/07/89/78/1355078978.db2.gz LUUGRFNKUCVWPV-IBGZPJMESA-N 2 0 347.503 2.364 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCOC)CC1 ZINC001664467479 1355171374 /nfs/dbraw/zinc/17/13/74/1355171374.db2.gz MKAAOZCFWATZEE-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001666938766 1355618356 /nfs/dbraw/zinc/61/83/56/1355618356.db2.gz MQFQOXXRSKXLDH-LBPRGKRZSA-N 2 0 341.415 2.189 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001666993013 1355629081 /nfs/dbraw/zinc/62/90/81/1355629081.db2.gz XWCHVCRQJUGURC-MSOLQXFVSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667033373 1355636434 /nfs/dbraw/zinc/63/64/34/1355636434.db2.gz LHEJPWJFASRYMR-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001667279685 1355697515 /nfs/dbraw/zinc/69/75/15/1355697515.db2.gz XJTHRCDDGIHIOQ-MOPGFXCFSA-N 2 0 344.503 2.427 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001667307427 1355706296 /nfs/dbraw/zinc/70/62/96/1355706296.db2.gz XPPOUPYBUDJEFN-JKSUJKDBSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001668097428 1355869775 /nfs/dbraw/zinc/86/97/75/1355869775.db2.gz VIHKDLTUVNUWFN-SJORKVTESA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668235073 1355905404 /nfs/dbraw/zinc/90/54/04/1355905404.db2.gz XELBAGVRDNDSHG-GDBMZVCRSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCC2CCOCC2)CC[N@@H+]1C ZINC001669564387 1356176393 /nfs/dbraw/zinc/17/63/93/1356176393.db2.gz MFXSNRLQOREQKK-RYQLBKOJSA-N 2 0 339.524 2.018 10 0 EEAERP COCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001669882855 1356231682 /nfs/dbraw/zinc/23/16/82/1356231682.db2.gz RDOHMHXTYPDHTL-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001670344733 1356324169 /nfs/dbraw/zinc/32/41/69/1356324169.db2.gz KJYJWDNFJXCYOA-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@H]1C[C@H](C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001670357692 1356326644 /nfs/dbraw/zinc/32/66/44/1356326644.db2.gz NVDLODGYIOVSQL-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CN1CCO[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001671720876 1356402169 /nfs/dbraw/zinc/40/21/69/1356402169.db2.gz UVRVATMQUUNXRB-AZUAARDMSA-N 2 0 349.519 2.036 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001671747691 1356407165 /nfs/dbraw/zinc/40/71/65/1356407165.db2.gz LCPNJEBNFSSWDY-OAHLLOKOSA-N 2 0 335.414 2.251 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)CC1 ZINC001671779074 1356413014 /nfs/dbraw/zinc/41/30/14/1356413014.db2.gz BZGYHKHIYPSSGB-SFHVURJKSA-N 2 0 327.488 2.296 10 0 EEAERP CC(C)OCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001671784083 1356413983 /nfs/dbraw/zinc/41/39/83/1356413983.db2.gz CHEXEISYGLEWOM-IBGZPJMESA-N 2 0 341.540 2.218 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC001672805110 1356588580 /nfs/dbraw/zinc/58/85/80/1356588580.db2.gz KTLBCZWNQRISGA-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC001672816532 1356591749 /nfs/dbraw/zinc/59/17/49/1356591749.db2.gz RDEMWYMTLVVRIA-NVXWUHKLSA-N 2 0 348.491 2.050 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001672839542 1356597489 /nfs/dbraw/zinc/59/74/89/1356597489.db2.gz OLHKCGVWEUABCF-XWJOTYRJSA-N 2 0 334.291 2.228 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001672863120 1356601863 /nfs/dbraw/zinc/60/18/63/1356601863.db2.gz DZVFFCHVQMWEHN-GANVNIMBSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001672915182 1356613413 /nfs/dbraw/zinc/61/34/13/1356613413.db2.gz FXPMNDVJCSHWGG-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001672915230 1356613897 /nfs/dbraw/zinc/61/38/97/1356613897.db2.gz GNKWXVNKEUZQJL-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001675782085 1357048953 /nfs/dbraw/zinc/04/89/53/1357048953.db2.gz QGDWGZAHKOQLKP-UHAAEXCHSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966277 1357079003 /nfs/dbraw/zinc/07/90/03/1357079003.db2.gz NICLGYXYPCNKHS-HOCLYGCPSA-N 2 0 347.507 2.062 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698828814 1405096243 /nfs/dbraw/zinc/09/62/43/1405096243.db2.gz QCZGJUYYYGYHCF-SJLPKXTDSA-N 2 0 339.524 2.255 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001698912926 1405154684 /nfs/dbraw/zinc/15/46/84/1405154684.db2.gz CMSFWENWGMLEMD-IRXDYDNUSA-N 2 0 325.472 2.049 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699116572 1405270615 /nfs/dbraw/zinc/27/06/15/1405270615.db2.gz ZBSJJBFSNICWHW-XJKSGUPXSA-N 2 0 336.480 2.014 10 0 EEAERP COc1cc(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001699259588 1405300708 /nfs/dbraw/zinc/30/07/08/1405300708.db2.gz DYXQIGAPESGQID-WAYWQWQTSA-N 2 0 345.487 2.250 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001699263052 1405305149 /nfs/dbraw/zinc/30/51/49/1405305149.db2.gz UMAMXMIDBYKHMV-PPPANMTLSA-N 2 0 335.517 2.283 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001699262739 1405305443 /nfs/dbraw/zinc/30/54/43/1405305443.db2.gz UZXAVARTAJTZRA-WUUFJKRQSA-N 2 0 341.499 2.407 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001699757654 1405468309 /nfs/dbraw/zinc/46/83/09/1405468309.db2.gz AVKFZQOBFDRXRN-HNNXBMFYSA-N 2 0 339.430 2.040 10 0 EEAERP C[C@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000921327142 773289717 /nfs/dbraw/zinc/28/97/17/773289717.db2.gz YWLUYSZWOZMAIV-KCITZHQASA-N 2 0 344.503 2.289 10 0 EEAERP CC1CC[NH+](CCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000809970829 783544964 /nfs/dbraw/zinc/54/49/64/783544964.db2.gz NAFMXMDZGMQOQA-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(Cl)n1 ZINC000817860909 785026736 /nfs/dbraw/zinc/02/67/36/785026736.db2.gz YZIVCAZRMCHLIF-UEEZHKSASA-N 2 0 338.883 2.265 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2c(C)noc2C)CC[NH2+]CC1 ZINC000817900656 785054578 /nfs/dbraw/zinc/05/45/78/785054578.db2.gz UWYXLUNLPCEZPJ-OAHLLOKOSA-N 2 0 337.464 2.135 10 0 EEAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000818178924 785206334 /nfs/dbraw/zinc/20/63/34/785206334.db2.gz VNORQIPTDNUUHS-MSOLQXFVSA-N 2 0 325.472 2.143 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819058767 785380877 /nfs/dbraw/zinc/38/08/77/785380877.db2.gz PBKDWSCJEBEJMT-HXUWFJFHSA-N 2 0 333.520 2.344 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000819174800 785447084 /nfs/dbraw/zinc/44/70/84/785447084.db2.gz RMFFOGBDGCAEAP-IPMKNSEASA-N 2 0 336.451 2.135 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)nc3C)cn2)CC1 ZINC000785427169 786311337 /nfs/dbraw/zinc/31/13/37/786311337.db2.gz NCMVHBPFHGGLRV-UHFFFAOYSA-N 2 0 343.450 2.356 10 0 EEAERP Cc1cc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc(C)n1 ZINC000922927819 788358001 /nfs/dbraw/zinc/35/80/01/788358001.db2.gz XQSNKQPHEBBDFM-CVEARBPZSA-N 2 0 334.489 2.077 10 0 EEAERP O=C([C@@H](c1ccccc1)N1CCSCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918614 788476855 /nfs/dbraw/zinc/47/68/55/788476855.db2.gz GNFDWUOHPLLFSH-ZWKOTPCHSA-N 2 0 345.512 2.083 10 0 EEAERP C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299569 789322431 /nfs/dbraw/zinc/32/24/31/789322431.db2.gz VZFSKQYZLFLCPO-SNVBAGLBSA-N 2 0 331.279 2.321 10 0 EEAERP OCCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCc2ccccc21 ZINC000923318446 789361348 /nfs/dbraw/zinc/36/13/48/789361348.db2.gz ZTRQERTUBMCNTD-HKUYNNGSSA-N 2 0 330.472 2.127 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2COc3ccccc3O2)C1 ZINC000923393647 789487298 /nfs/dbraw/zinc/48/72/98/789487298.db2.gz VJXLDOSFUXZEFQ-JEWRLFTDSA-N 2 0 332.444 2.187 10 0 EEAERP c1c(C2CCN(CCC[NH2+]C3CC3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000923396746 789492814 /nfs/dbraw/zinc/49/28/14/789492814.db2.gz HFHZPDYKAVYKQS-UHFFFAOYSA-N 3 0 331.508 2.198 10 0 EEAERP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923422785 789524380 /nfs/dbraw/zinc/52/43/80/789524380.db2.gz RYYHVVLUADKYNI-RNIPGJKVSA-N 2 0 342.524 2.018 10 0 EEAERP Cc1cc(Br)c(CN2CC[NH2+]CC[NH2+]CC2)cc1Cl ZINC000923460382 789576832 /nfs/dbraw/zinc/57/68/32/789576832.db2.gz NBBYSLBCOFZBII-UHFFFAOYSA-N 2 0 346.700 2.406 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1nc(-c3ccc(F)cc3)no1)CC2 ZINC000923453617 789588456 /nfs/dbraw/zinc/58/84/56/789588456.db2.gz BNIUEQKFLDZHAC-OAHLLOKOSA-N 2 0 346.406 2.206 10 0 EEAERP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498929 789681056 /nfs/dbraw/zinc/68/10/56/789681056.db2.gz QWWAQLJHLAZZOU-RDJZCZTQSA-N 2 0 333.476 2.008 10 0 EEAERP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498904 789681656 /nfs/dbraw/zinc/68/16/56/789681656.db2.gz QRTPKEFJAFIFST-AEFFLSMTSA-N 2 0 347.503 2.398 10 0 EEAERP [NH3+]CCCCCCC[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000923549576 789762825 /nfs/dbraw/zinc/76/28/25/789762825.db2.gz MOTTTZXWIQTXHT-UHFFFAOYSA-N 2 0 345.553 2.176 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000925346133 795367809 /nfs/dbraw/zinc/36/78/09/795367809.db2.gz ZCIWSNOLFRAVBW-WQVCFCJDSA-N 2 0 338.883 2.335 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccnn2C2CCC2)ccn1 ZINC000921942637 798267409 /nfs/dbraw/zinc/26/74/09/798267409.db2.gz VNGBWSTURUWHQA-UHFFFAOYSA-N 2 0 329.448 2.233 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)ccn1 ZINC000921942102 798276999 /nfs/dbraw/zinc/27/69/99/798276999.db2.gz OBKYWPLELOCXCX-FGTMMUONSA-N 2 0 333.476 2.317 10 0 EEAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000921981282 798551249 /nfs/dbraw/zinc/55/12/49/798551249.db2.gz RSHGQBJDIIZQPT-LJQANCHMSA-N 2 0 346.450 2.099 10 0 EEAERP c1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)n(-c2cc[nH+]cc2)n1 ZINC000922809596 801970659 /nfs/dbraw/zinc/97/06/59/801970659.db2.gz KHVSSLNKDMAXBN-KRWDZBQOSA-N 2 0 328.416 2.085 10 0 EEAERP CN(CCCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1nccs1 ZINC001566491143 1125655849 /nfs/dbraw/zinc/65/58/49/1125655849.db2.gz OAPQLRKGWFNCDC-UHFFFAOYSA-N 2 0 326.510 2.059 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001566499914 1125667965 /nfs/dbraw/zinc/66/79/65/1125667965.db2.gz IAIJHUKYAOPESG-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(C)ccc1OC ZINC001566543378 1125712973 /nfs/dbraw/zinc/71/29/73/1125712973.db2.gz NWYIGKAYMBTPQA-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1)[NH+]1CCCCCC1 ZINC001436423581 1087788660 /nfs/dbraw/zinc/78/86/60/1087788660.db2.gz SRQNNGSNGZDNOC-IXDOHACOSA-N 2 0 348.491 2.314 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001436758368 1088264457 /nfs/dbraw/zinc/26/44/57/1088264457.db2.gz BCKUWNCGBRORSC-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CCc1nocc1C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001436802519 1088381655 /nfs/dbraw/zinc/38/16/55/1088381655.db2.gz ODSSEQGEFWOVQN-QGZVFWFLSA-N 2 0 348.491 2.096 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001437009767 1088783892 /nfs/dbraw/zinc/78/38/92/1088783892.db2.gz ZMRPANZAYJVMLA-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001437009770 1088784865 /nfs/dbraw/zinc/78/48/65/1088784865.db2.gz ZMRPANZAYJVMLA-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1 ZINC001437217360 1089296254 /nfs/dbraw/zinc/29/62/54/1089296254.db2.gz UQDBHCRWESVIBI-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCCF)C1 ZINC001437339709 1089533316 /nfs/dbraw/zinc/53/33/16/1089533316.db2.gz WUVUTZFDCARUFE-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nocc2C)C1 ZINC001437401098 1089666539 /nfs/dbraw/zinc/66/65/39/1089666539.db2.gz WOIJIWLMJFZJAG-HZPDHXFCSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc2cccnc21 ZINC001437423827 1089708273 /nfs/dbraw/zinc/70/82/73/1089708273.db2.gz RFVLONQYAMGXPX-MRXNPFEDSA-N 2 0 340.471 2.315 10 0 EEAERP CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@H](C)c1cnc(C)cn1 ZINC001437647336 1090167929 /nfs/dbraw/zinc/16/79/29/1090167929.db2.gz ATAAXENCIKUEPM-AEFFLSMTSA-N 2 0 347.507 2.159 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001437717135 1090266140 /nfs/dbraw/zinc/26/61/40/1090266140.db2.gz BRKKNRGTSBEIPA-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN(Cc1ccns1)C1CC1 ZINC001437796127 1090382082 /nfs/dbraw/zinc/38/20/82/1090382082.db2.gz YVRHCCVMJQGZEY-CQSZACIVSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001437830503 1090418427 /nfs/dbraw/zinc/41/84/27/1090418427.db2.gz AOEHUMRAZCOECA-MRXNPFEDSA-N 2 0 347.507 2.159 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001437833577 1090421003 /nfs/dbraw/zinc/42/10/03/1090421003.db2.gz KWOABRIQRLWRKL-HDMKZQKVSA-N 2 0 333.476 2.144 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001437940445 1090535143 /nfs/dbraw/zinc/53/51/43/1090535143.db2.gz ARPJZMBKDPVLOX-ZWKOTPCHSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1ccccc1CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001438174957 1090683369 /nfs/dbraw/zinc/68/33/69/1090683369.db2.gz QCTGSCRFMTVMNU-OALUTQOASA-N 2 0 329.488 2.164 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Cl ZINC001438327396 1090801265 /nfs/dbraw/zinc/80/12/65/1090801265.db2.gz IYVSHAUBHWSSFP-CQSZACIVSA-N 2 0 329.847 2.415 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC001438408137 1090894845 /nfs/dbraw/zinc/89/48/45/1090894845.db2.gz YXGXOJYYDBWLLU-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438502248 1090996425 /nfs/dbraw/zinc/99/64/25/1090996425.db2.gz IUYQTNCXTRGELX-NVXWUHKLSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001438647241 1091130230 /nfs/dbraw/zinc/13/02/30/1091130230.db2.gz DMABPLIYGSCQIW-KDOFPFPSSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001445432787 1091188842 /nfs/dbraw/zinc/18/88/42/1091188842.db2.gz HLIJQZODSCFWOG-ZIAGYGMSSA-N 2 0 331.451 2.248 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001438709400 1091224299 /nfs/dbraw/zinc/22/42/99/1091224299.db2.gz AASAEWHEDIUWPQ-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438718025 1091241157 /nfs/dbraw/zinc/24/11/57/1091241157.db2.gz WYCPMTWODGNYLJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001438733077 1091277605 /nfs/dbraw/zinc/27/76/05/1091277605.db2.gz KIWZFRCSNXTCHD-GOSISDBHSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC001438765172 1091340548 /nfs/dbraw/zinc/34/05/48/1091340548.db2.gz DPJMLVFSOMBSRW-CJNGLKHVSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccncc1Cl ZINC001438765173 1091341234 /nfs/dbraw/zinc/34/12/34/1091341234.db2.gz DPJMLVFSOMBSRW-CZUORRHYSA-N 2 0 338.883 2.013 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001445571028 1091350930 /nfs/dbraw/zinc/35/09/30/1091350930.db2.gz LEXPRUMNDKBSPH-QFBILLFUSA-N 2 0 347.503 2.410 10 0 EEAERP COCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001438780305 1091378966 /nfs/dbraw/zinc/37/89/66/1091378966.db2.gz XBHXSQWHBHLYQF-VQIMIIECSA-N 2 0 347.503 2.111 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)cc2)C1 ZINC001445596033 1091390457 /nfs/dbraw/zinc/39/04/57/1091390457.db2.gz SWTONIJGFLLWGY-FUHWJXTLSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)C)o1 ZINC001438797824 1091402858 /nfs/dbraw/zinc/40/28/58/1091402858.db2.gz AVKYMITVRDCEKL-IAGOWNOFSA-N 2 0 336.480 2.086 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccnc1 ZINC001438805376 1091413133 /nfs/dbraw/zinc/41/31/33/1091413133.db2.gz ARIIOQUAJBHWJQ-SZMVWBNQSA-N 2 0 332.492 2.042 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001438829822 1091447583 /nfs/dbraw/zinc/44/75/83/1091447583.db2.gz QHEQYBXLZBOIDW-CRAIPNDOSA-N 2 0 335.467 2.398 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)Cc1cncn1C ZINC001438931765 1091612483 /nfs/dbraw/zinc/61/24/83/1091612483.db2.gz JZMWZVBOKUARIQ-GOSISDBHSA-N 2 0 326.444 2.040 10 0 EEAERP C[C@@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445817273 1091695596 /nfs/dbraw/zinc/69/55/96/1091695596.db2.gz PZHGPBKWVBVOMQ-YJBOKZPZSA-N 2 0 329.488 2.452 10 0 EEAERP C[C@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001439123799 1091766489 /nfs/dbraw/zinc/76/64/89/1091766489.db2.gz MQPQYQSUAZGNGA-CYBMUJFWSA-N 2 0 337.414 2.188 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439140136 1091784961 /nfs/dbraw/zinc/78/49/61/1091784961.db2.gz ORMHWFVRPKMABC-YCPHGPKFSA-N 2 0 344.459 2.467 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445865577 1091785918 /nfs/dbraw/zinc/78/59/18/1091785918.db2.gz GNMFTBTVKXEFSJ-ZBFHGGJFSA-N 2 0 337.895 2.271 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439179599 1091826217 /nfs/dbraw/zinc/82/62/17/1091826217.db2.gz NAVIMLPWTYPLDK-IUODEOHRSA-N 2 0 325.403 2.170 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]Cc2cnc(C)o2)C2CC2)C1 ZINC001445968455 1091922832 /nfs/dbraw/zinc/92/28/32/1091922832.db2.gz MWAKAGBBVOOSNF-FUHWJXTLSA-N 2 0 348.491 2.089 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001439498034 1092331635 /nfs/dbraw/zinc/33/16/35/1092331635.db2.gz RBKWRPISLTYFGZ-ZBFHGGJFSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1cc(C)cc(C[NH+]2CC[C@@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001439566379 1092447945 /nfs/dbraw/zinc/44/79/45/1092447945.db2.gz BIYAKTCFQBWIKW-IEBWSBKVSA-N 2 0 329.488 2.336 10 0 EEAERP CO[C@@H](C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1)C1CCC1 ZINC001439803426 1092759370 /nfs/dbraw/zinc/75/93/70/1092759370.db2.gz HDLWZMHKLVYUQN-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001439811421 1092779208 /nfs/dbraw/zinc/77/92/08/1092779208.db2.gz ILBILVAUGXWQGZ-OALUTQOASA-N 2 0 344.503 2.106 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)n1 ZINC001439856347 1092881419 /nfs/dbraw/zinc/88/14/19/1092881419.db2.gz VDEIBOYEAIEMKH-FOIQADDNSA-N 2 0 344.503 2.121 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439865719 1092898623 /nfs/dbraw/zinc/89/86/23/1092898623.db2.gz KNGIPTKMHZVHID-VQIMIIECSA-N 2 0 333.520 2.489 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001439925935 1093004813 /nfs/dbraw/zinc/00/48/13/1093004813.db2.gz QGXXEMUQCRSJIC-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001440221946 1093299874 /nfs/dbraw/zinc/29/98/74/1093299874.db2.gz KULIEHVNEVNBPA-JKSUJKDBSA-N 2 0 345.487 2.084 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc3c2CC[NH+](CCCF)C3)C1 ZINC001440261607 1093365400 /nfs/dbraw/zinc/36/54/00/1093365400.db2.gz JOQIIIAMIIZLMC-MRXNPFEDSA-N 2 0 347.478 2.362 10 0 EEAERP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001448435764 1093447968 /nfs/dbraw/zinc/44/79/68/1093447968.db2.gz YAQUPZJNIHCYIP-TVFCKZIOSA-N 2 0 335.536 2.304 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC001448452447 1093463213 /nfs/dbraw/zinc/46/32/13/1093463213.db2.gz TXORUMINGIFSLQ-OSYLJGHBSA-N 2 0 347.890 2.230 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001440407751 1093599353 /nfs/dbraw/zinc/59/93/53/1093599353.db2.gz VGMWCHIKTSUAIY-YESZJQIVSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001440466947 1093691028 /nfs/dbraw/zinc/69/10/28/1093691028.db2.gz VFTQJBOQUXMAPH-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC001448733374 1093804554 /nfs/dbraw/zinc/80/45/54/1093804554.db2.gz HRFCMAHYGLDYLP-UHFFFAOYSA-N 2 0 331.460 2.480 10 0 EEAERP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001440664038 1093931860 /nfs/dbraw/zinc/93/18/60/1093931860.db2.gz FDZKZLDRQYKWNY-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001440758689 1094000530 /nfs/dbraw/zinc/00/05/30/1094000530.db2.gz PBDOVVIOTGFZDV-UHFFFAOYSA-N 2 0 333.451 2.294 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001440758803 1094001282 /nfs/dbraw/zinc/00/12/82/1094001282.db2.gz PQIXCQHIZAFMPF-AVVWSFFYSA-N 2 0 343.462 2.391 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001449016908 1094018931 /nfs/dbraw/zinc/01/89/31/1094018931.db2.gz NEJZSBOGQLKSSH-DOTOQJQBSA-N 2 0 333.476 2.114 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001440791793 1094032892 /nfs/dbraw/zinc/03/28/92/1094032892.db2.gz RJXUVBSYEPLPLZ-KGLIPLIRSA-N 2 0 336.480 2.230 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC001449090758 1094102869 /nfs/dbraw/zinc/10/28/69/1094102869.db2.gz NLCOOLMRAFFOAK-KRWDZBQOSA-N 2 0 348.491 2.220 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001440860902 1094123167 /nfs/dbraw/zinc/12/31/67/1094123167.db2.gz QQOCYHBZRYQOQG-LSDHHAIUSA-N 2 0 337.895 2.461 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CCc1ccns1 ZINC001440966101 1094224644 /nfs/dbraw/zinc/22/46/44/1094224644.db2.gz DSQBSTFKSHDBNA-AWEZNQCLSA-N 2 0 340.537 2.100 10 0 EEAERP COc1cc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H]2CC[NH+](C)C2)ccc1C ZINC001440993365 1094260879 /nfs/dbraw/zinc/26/08/79/1094260879.db2.gz CHFKZVZXKUVLPD-SJLPKXTDSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001449355641 1094319274 /nfs/dbraw/zinc/31/92/74/1094319274.db2.gz ZMFUYFBXCRZEIJ-LPRNFTRESA-N 2 0 327.900 2.297 10 0 EEAERP CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001449366839 1094332569 /nfs/dbraw/zinc/33/25/69/1094332569.db2.gz MNHRIAKDYPYGLU-KRWDZBQOSA-N 2 0 331.504 2.398 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001441095635 1094395372 /nfs/dbraw/zinc/39/53/72/1094395372.db2.gz FMGKKLDAPDWTED-ROUUACIJSA-N 2 0 335.467 2.365 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001441328869 1094788566 /nfs/dbraw/zinc/78/85/66/1094788566.db2.gz JPZWZNCQZZKZGS-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001441368637 1094896307 /nfs/dbraw/zinc/89/63/07/1094896307.db2.gz JTVACJJQTFYIET-SHTZXODSSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001441391540 1094951994 /nfs/dbraw/zinc/95/19/94/1094951994.db2.gz ZVPNBCLPPSOIJG-OAHLLOKOSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001441437986 1095051023 /nfs/dbraw/zinc/05/10/23/1095051023.db2.gz IOPBGMIIGJWQSM-YIXWHEHPSA-N 2 0 334.291 2.415 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001441491657 1095170609 /nfs/dbraw/zinc/17/06/09/1095170609.db2.gz WBABRRIQHGBEQM-CBKLOQCVSA-N 2 0 340.270 2.222 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)sc1C ZINC001441552080 1095284262 /nfs/dbraw/zinc/28/42/62/1095284262.db2.gz XKAIKQPJITVBSU-SWLSCSKDSA-N 2 0 338.521 2.181 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441570314 1095336162 /nfs/dbraw/zinc/33/61/62/1095336162.db2.gz OAAVLLQRFDKUJL-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001441894114 1096038529 /nfs/dbraw/zinc/03/85/29/1096038529.db2.gz FDCQLOJTMGOKEX-HOCLYGCPSA-N 2 0 348.491 2.267 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1conc1C)c1ccccc1 ZINC001442021583 1096229228 /nfs/dbraw/zinc/22/92/28/1096229228.db2.gz QSJOWERCWVMCNI-RDTXWAMCSA-N 2 0 344.459 2.270 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cnc(C)s1)C(C)(C)C ZINC001442167391 1096428642 /nfs/dbraw/zinc/42/86/42/1096428642.db2.gz GVEMERWKAZBTSQ-OAHLLOKOSA-N 2 0 340.537 2.414 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC001442213427 1096503958 /nfs/dbraw/zinc/50/39/58/1096503958.db2.gz MFXDQQXTOVUIFH-HUUCEWRRSA-N 2 0 331.451 2.296 10 0 EEAERP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001442214262 1096506289 /nfs/dbraw/zinc/50/62/89/1096506289.db2.gz FDEPIMNBUAGNQD-CABCVRRESA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001442293839 1096609897 /nfs/dbraw/zinc/60/98/97/1096609897.db2.gz MYINKBFWRZMQNT-QZTJIDSGSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)ncn1 ZINC001442308333 1096624255 /nfs/dbraw/zinc/62/42/55/1096624255.db2.gz SFZPSGAZAIYOJO-WBVHZDCISA-N 2 0 347.507 2.034 10 0 EEAERP C[N@H+](CCCc1cccc(F)c1)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001442400859 1096721701 /nfs/dbraw/zinc/72/17/01/1096721701.db2.gz IPQURBKACIYPDQ-LJQANCHMSA-N 2 0 347.478 2.148 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2cccc(F)c2)C1 ZINC001442580954 1096946181 /nfs/dbraw/zinc/94/61/81/1096946181.db2.gz YMDVGRGPQDCECF-AEFFLSMTSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC001442876544 1097270076 /nfs/dbraw/zinc/27/00/76/1097270076.db2.gz CWSAAUPJSMYQDK-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cncn1CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001442891910 1097289890 /nfs/dbraw/zinc/28/98/90/1097289890.db2.gz YCKIIGPDAOXGSG-MRXNPFEDSA-N 2 0 346.862 2.483 10 0 EEAERP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442901143 1097304215 /nfs/dbraw/zinc/30/42/15/1097304215.db2.gz CXUYPSSKYNOCAR-MRXNPFEDSA-N 2 0 348.491 2.140 10 0 EEAERP CC[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CCC(C)C ZINC001443969283 1098487383 /nfs/dbraw/zinc/48/73/83/1098487383.db2.gz RLPPMDJYROCMPP-OAHLLOKOSA-N 2 0 329.448 2.411 10 0 EEAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001479528214 1098595712 /nfs/dbraw/zinc/59/57/12/1098595712.db2.gz KNVOWPPFWDDUSH-SJLPKXTDSA-N 2 0 349.523 2.075 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001444193600 1098744188 /nfs/dbraw/zinc/74/41/88/1098744188.db2.gz UWRMPUYZSXJANG-BZSNNMDCSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001479693068 1098759044 /nfs/dbraw/zinc/75/90/44/1098759044.db2.gz UIYYKJHGQWRZQO-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC001479718194 1098801781 /nfs/dbraw/zinc/80/17/81/1098801781.db2.gz QYHGJIFAXKVLJL-ILXRZTDVSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccn1 ZINC001479727781 1098825450 /nfs/dbraw/zinc/82/54/50/1098825450.db2.gz RDGWYNKGBGWSQN-MJGOQNOKSA-N 2 0 344.503 2.427 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1conc1C ZINC001479856651 1099159019 /nfs/dbraw/zinc/15/90/19/1099159019.db2.gz XRSAQYAXZYOKCP-QZTJIDSGSA-N 2 0 348.491 2.328 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001479969103 1099414176 /nfs/dbraw/zinc/41/41/76/1099414176.db2.gz OFWULAIRVJMELY-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001480022795 1099502748 /nfs/dbraw/zinc/50/27/48/1099502748.db2.gz ACJFSMGVJCTLBX-JKSUJKDBSA-N 2 0 343.462 2.391 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001480047752 1099551593 /nfs/dbraw/zinc/55/15/93/1099551593.db2.gz VMSZBEDNPLLWRL-QAPCUYQASA-N 2 0 325.472 2.093 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444768415 1099667115 /nfs/dbraw/zinc/66/71/15/1099667115.db2.gz AMSNJQBGRGFHQP-IRXDYDNUSA-N 2 0 335.467 2.398 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+](C)CCF)CC2)CC[N@@H+]1C ZINC001444822609 1099760754 /nfs/dbraw/zinc/76/07/54/1099760754.db2.gz RSLZYRSKDIDSSL-DLBZAZTESA-N 2 0 327.488 2.247 10 0 EEAERP COCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480187097 1099781624 /nfs/dbraw/zinc/78/16/24/1099781624.db2.gz BFUZBYOJRVXELM-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001480212109 1099821454 /nfs/dbraw/zinc/82/14/54/1099821454.db2.gz ZHQCHEVNVVDNEL-CEXWTWQISA-N 2 0 347.478 2.479 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)sn1 ZINC001444898195 1099950738 /nfs/dbraw/zinc/95/07/38/1099950738.db2.gz VHXSPWXVLVKOMR-HNNXBMFYSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CC(C)(C)CO1 ZINC001444980749 1100107247 /nfs/dbraw/zinc/10/72/47/1100107247.db2.gz UJHRFEQIAOBNAA-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CC(C)(C)CO1 ZINC001444980746 1100107639 /nfs/dbraw/zinc/10/76/39/1100107639.db2.gz UJHRFEQIAOBNAA-DLBZAZTESA-N 2 0 339.524 2.065 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001480349545 1100118734 /nfs/dbraw/zinc/11/87/34/1100118734.db2.gz HFERLKMUXZRXSM-MMCPSDEHSA-N 2 0 333.879 2.390 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2conc2C)C1 ZINC001480386476 1100187235 /nfs/dbraw/zinc/18/72/35/1100187235.db2.gz MLGGRLQWXZGWPW-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)c1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445356729 1100594022 /nfs/dbraw/zinc/59/40/22/1100594022.db2.gz PTYSEBZNSCVMFT-RISCZKNCSA-N 2 0 327.831 2.168 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496208799 1100751323 /nfs/dbraw/zinc/75/13/23/1100751323.db2.gz YFOPZYVLKSMNNV-FUHWJXTLSA-N 2 0 346.519 2.031 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1nc(C)cs1 ZINC001495133866 1100801588 /nfs/dbraw/zinc/80/15/88/1100801588.db2.gz CRPBAEAEHKJBJF-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(F)cn1 ZINC001495146411 1100817841 /nfs/dbraw/zinc/81/78/41/1100817841.db2.gz WQWADMFGLYHXKF-DOTOQJQBSA-N 2 0 336.455 2.080 10 0 EEAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446554073 1101027182 /nfs/dbraw/zinc/02/71/82/1101027182.db2.gz DVBIBGZTVGGSOT-ROUUACIJSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)sc1C ZINC001446621692 1101127509 /nfs/dbraw/zinc/12/75/09/1101127509.db2.gz YPKFNQDQMNJHOD-KRWDZBQOSA-N 2 0 338.521 2.040 10 0 EEAERP COCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001446675291 1101214581 /nfs/dbraw/zinc/21/45/81/1101214581.db2.gz YZHVRZZRUYGKIJ-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496625769 1101228810 /nfs/dbraw/zinc/22/88/10/1101228810.db2.gz CBCFQDDYOXRRPH-MJGOQNOKSA-N 2 0 347.503 2.267 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001496628634 1101234076 /nfs/dbraw/zinc/23/40/76/1101234076.db2.gz LENBHAYTWQNBEF-ICSRJNTNSA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681605 1101426596 /nfs/dbraw/zinc/42/65/96/1101426596.db2.gz HRWKBCIOFPXXKP-DAXOMENPSA-N 2 0 330.407 2.194 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001495729712 1101494291 /nfs/dbraw/zinc/49/42/91/1101494291.db2.gz FERFYACRSHEPAH-QGZVFWFLSA-N 2 0 347.503 2.058 10 0 EEAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCCF)C1CC[NH+](CC2CC2)CC1 ZINC001496911071 1101708241 /nfs/dbraw/zinc/70/82/41/1101708241.db2.gz YPKKJLOVWXPLCC-ROUUACIJSA-N 2 0 339.499 2.343 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001447114313 1102014193 /nfs/dbraw/zinc/01/41/93/1102014193.db2.gz KIWWHQSAWCWQOF-UHFFFAOYSA-N 2 0 333.451 2.202 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497187542 1102094836 /nfs/dbraw/zinc/09/48/36/1102094836.db2.gz CRLXRWOCZQJZCA-BEFAXECRSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1nccnc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497189018 1102095288 /nfs/dbraw/zinc/09/52/88/1102095288.db2.gz QAEUKSQJTYUXRG-OAHLLOKOSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)CCC[NH+](C)C)c1 ZINC001447163115 1102116328 /nfs/dbraw/zinc/11/63/28/1102116328.db2.gz OCCKPKJOKPBDDD-OALUTQOASA-N 2 0 344.503 2.297 10 0 EEAERP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001496178293 1102177424 /nfs/dbraw/zinc/17/74/24/1102177424.db2.gz KKWXLJUUTIDWJM-GFCCVEGCSA-N 2 0 336.307 2.474 10 0 EEAERP CCN(CCNCc1ccn(C2CCCC2)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497433664 1102482448 /nfs/dbraw/zinc/48/24/48/1102482448.db2.gz AIDBXJLMAHHJNG-GOSISDBHSA-N 2 0 347.507 2.031 10 0 EEAERP CN(CCC[N@H+](C)CC[C@@H]1CCCO1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001447348137 1102498454 /nfs/dbraw/zinc/49/84/54/1102498454.db2.gz BIYVKRWAQIRZRP-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001447430973 1102640851 /nfs/dbraw/zinc/64/08/51/1102640851.db2.gz UDFQWOJLNPKWFH-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001497663635 1102855924 /nfs/dbraw/zinc/85/59/24/1102855924.db2.gz VJSCARMKWFDNLF-NCWIEVAOSA-N 2 0 345.487 2.188 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001497763961 1103060139 /nfs/dbraw/zinc/06/01/39/1103060139.db2.gz MXOHPSCNRKXCNH-DUMMIQTOSA-N 2 0 348.491 2.256 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)s1 ZINC001497926475 1103348511 /nfs/dbraw/zinc/34/85/11/1103348511.db2.gz CNSUSEFLWQRHIZ-UKRRQHHQSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)n1 ZINC001447896771 1103544286 /nfs/dbraw/zinc/54/42/86/1103544286.db2.gz ILHSYGOJFCXLSU-CABCVRRESA-N 2 0 332.492 2.023 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCC1CCOCC1 ZINC001447900835 1103553881 /nfs/dbraw/zinc/55/38/81/1103553881.db2.gz DGIPQNMOUOEWJF-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447915943 1103586457 /nfs/dbraw/zinc/58/64/57/1103586457.db2.gz XNZLWCJHTVAJLW-CABCVRRESA-N 2 0 333.476 2.041 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)o1 ZINC001447928978 1103623035 /nfs/dbraw/zinc/62/30/35/1103623035.db2.gz GZZTWDUQHNXTGP-KGLIPLIRSA-N 2 0 336.480 2.150 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cccc(F)c1)C(=O)C[NH+]1CCCC1 ZINC001447988950 1103749350 /nfs/dbraw/zinc/74/93/50/1103749350.db2.gz KRGVSGAKYCUSLP-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cc(F)cc(F)c1 ZINC001448097237 1103995769 /nfs/dbraw/zinc/99/57/69/1103995769.db2.gz NXUXJTNACNQVMN-ZIAGYGMSSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1cnccn1 ZINC001448220220 1104203777 /nfs/dbraw/zinc/20/37/77/1104203777.db2.gz LMYQMCJVJULBCE-IRXDYDNUSA-N 2 0 347.507 2.096 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494876905 1104486873 /nfs/dbraw/zinc/48/68/73/1104486873.db2.gz SCJWGANZHUGYSP-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001495006746 1104650759 /nfs/dbraw/zinc/65/07/59/1104650759.db2.gz XGMCRVBTAZZRAU-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(Cl)s1 ZINC001495094630 1104734189 /nfs/dbraw/zinc/73/41/89/1104734189.db2.gz PYMLFOFCWZXYBN-LBPRGKRZSA-N 2 0 341.908 2.482 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)o1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498023601 1106794187 /nfs/dbraw/zinc/79/41/87/1106794187.db2.gz NOOVSEVZHIHYAE-YOEHRIQHSA-N 2 0 342.443 2.030 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001498041474 1106822848 /nfs/dbraw/zinc/82/28/48/1106822848.db2.gz AXKSIDYQEOWYRK-XJKSGUPXSA-N 2 0 339.430 2.432 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480680323 1106871029 /nfs/dbraw/zinc/87/10/29/1106871029.db2.gz JUCLOQSAKVJHAO-KRWDZBQOSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCOCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498131970 1106965509 /nfs/dbraw/zinc/96/55/09/1106965509.db2.gz HVYMTLCRAJZPRK-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCF)[NH+]1CCCC1 ZINC001480833011 1107227602 /nfs/dbraw/zinc/22/76/02/1107227602.db2.gz LUTOSIQSHFMAKS-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001498382406 1107426523 /nfs/dbraw/zinc/42/65/23/1107426523.db2.gz VRXHIWKWYHYGTN-GDBMZVCRSA-N 2 0 335.467 2.412 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)ccc1C ZINC001498568324 1107737947 /nfs/dbraw/zinc/73/79/47/1107737947.db2.gz UUGAJEXDYIMQFQ-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1ncc(C[N@@H+]2CC[C@H](CNC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001493265291 1107809444 /nfs/dbraw/zinc/80/94/44/1107809444.db2.gz WFBCAHNZXNQYBU-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)Cc1cncn1C ZINC001498641794 1107874164 /nfs/dbraw/zinc/87/41/64/1107874164.db2.gz PTPBRAGWXZSFOM-GOSISDBHSA-N 2 0 344.434 2.227 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCc1ccsc1)C1CC1 ZINC001498735487 1107995937 /nfs/dbraw/zinc/99/59/37/1107995937.db2.gz FUNFXROEECHRQH-IRXDYDNUSA-N 2 0 335.517 2.259 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001493612324 1108402947 /nfs/dbraw/zinc/40/29/47/1108402947.db2.gz GBSGHKPWMRPQHD-UHFFFAOYSA-N 2 0 345.487 2.180 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cc3ccccc3o2)C1 ZINC001493695999 1108522375 /nfs/dbraw/zinc/52/23/75/1108522375.db2.gz YIFUYRDRMQUDPC-OAHLLOKOSA-N 2 0 329.444 2.323 10 0 EEAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001493839611 1108723354 /nfs/dbraw/zinc/72/33/54/1108723354.db2.gz JEDLVOPNNBXSBD-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001473702638 1110579062 /nfs/dbraw/zinc/57/90/62/1110579062.db2.gz LSVQAKHLFOJYQF-OALUTQOASA-N 2 0 340.508 2.005 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC[C@@H]1CCCC1(F)F ZINC001499131941 1112140809 /nfs/dbraw/zinc/14/08/09/1112140809.db2.gz MUGMCFJFKCTKIU-GJZGRUSLSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCc3cccc(F)c3)CC2)C1 ZINC001499353052 1112246885 /nfs/dbraw/zinc/24/68/85/1112246885.db2.gz YNOUIEBOJNGBQV-INIZCTEOSA-N 2 0 347.478 2.339 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCc2ccccc2)C1 ZINC001499950974 1112552974 /nfs/dbraw/zinc/55/29/74/1112552974.db2.gz SHAZVFSKUUWLRU-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C/Cl)C3)CCC1 ZINC001501006320 1113163669 /nfs/dbraw/zinc/16/36/69/1113163669.db2.gz SNMVOLTUSFGJRG-DLYKKBCUSA-N 2 0 325.884 2.192 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)sn1 ZINC001501090715 1113195291 /nfs/dbraw/zinc/19/52/91/1113195291.db2.gz HAUUZVGAAVWYQJ-CABCVRRESA-N 2 0 338.521 2.118 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CC3CC(F)(F)C3)C2)CC1 ZINC001501613095 1113399731 /nfs/dbraw/zinc/39/97/31/1113399731.db2.gz XZVAJOWVJFPACF-CQSZACIVSA-N 2 0 343.462 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001501638627 1113410238 /nfs/dbraw/zinc/41/02/38/1113410238.db2.gz YMSNWWNLGCCLHE-OALUTQOASA-N 2 0 331.504 2.398 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001502087742 1113582216 /nfs/dbraw/zinc/58/22/16/1113582216.db2.gz RZXTXISISSPZQT-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001502147307 1113616475 /nfs/dbraw/zinc/61/64/75/1113616475.db2.gz GUAMYUGQGBJSIS-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001505531267 1114037115 /nfs/dbraw/zinc/03/71/15/1114037115.db2.gz XCYRMPIDZTTXAP-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681035 1114128174 /nfs/dbraw/zinc/12/81/74/1114128174.db2.gz IJGLLHQENGFFLF-CABCVRRESA-N 2 0 335.467 2.459 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001505760727 1114174473 /nfs/dbraw/zinc/17/44/73/1114174473.db2.gz OJZKNAMIPOEUQS-HOTGVXAUSA-N 2 0 347.503 2.082 10 0 EEAERP Cc1conc1C[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001505816262 1114211044 /nfs/dbraw/zinc/21/10/44/1114211044.db2.gz KEROVPHTWYZSRR-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506741268 1114851725 /nfs/dbraw/zinc/85/17/25/1114851725.db2.gz FHXWGOHPDOHQOB-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001507128386 1115123304 /nfs/dbraw/zinc/12/33/04/1115123304.db2.gz VDEQBXZQPZFLOQ-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1sccc1Cl ZINC001507146195 1115132151 /nfs/dbraw/zinc/13/21/51/1115132151.db2.gz BRTXGKGSUJVJRJ-LBPRGKRZSA-N 2 0 341.908 2.434 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C1CC1 ZINC001507155393 1115137883 /nfs/dbraw/zinc/13/78/83/1115137883.db2.gz RYNMZRDULPTZQQ-YJBOKZPZSA-N 2 0 329.488 2.452 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001508034671 1115397071 /nfs/dbraw/zinc/39/70/71/1115397071.db2.gz GTMLTIHVWLBQSR-QGZVFWFLSA-N 2 0 335.492 2.129 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001508227712 1115453301 /nfs/dbraw/zinc/45/33/01/1115453301.db2.gz AFWMLLHSGYULSG-UHFFFAOYSA-N 2 0 333.501 2.135 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568379320 1124448417 /nfs/dbraw/zinc/44/84/17/1124448417.db2.gz PNTKVTPHGYVEDD-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCCCF)C1 ZINC001568515738 1124578772 /nfs/dbraw/zinc/57/87/72/1124578772.db2.gz OKBXAKFKTZNTGH-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001568630397 1124644704 /nfs/dbraw/zinc/64/47/04/1124644704.db2.gz BUCCRAOGNPNSJA-DZGCQCFKSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001568633032 1124646775 /nfs/dbraw/zinc/64/67/75/1124646775.db2.gz WDNLPYVAVSSGKE-QGPMSJSTSA-N 2 0 332.492 2.023 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cc(C)no2)C1 ZINC001568669570 1124683561 /nfs/dbraw/zinc/68/35/61/1124683561.db2.gz SMOIVQGJDVZIKA-GOEBONIOSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001568714159 1124731582 /nfs/dbraw/zinc/73/15/82/1124731582.db2.gz PMAMZDSEOFLYJA-WBVHZDCISA-N 2 0 336.480 2.170 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001568751817 1124765773 /nfs/dbraw/zinc/76/57/73/1124765773.db2.gz UXXVYAPGSHMEHL-FUHWJXTLSA-N 2 0 348.491 2.192 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001569269860 1125208678 /nfs/dbraw/zinc/20/86/78/1125208678.db2.gz FYDQXWSSWGZZOX-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000115806180 282130937 /nfs/dbraw/zinc/13/09/37/282130937.db2.gz LLJRMXVCOPYFGU-MOPGFXCFSA-N 2 0 346.519 2.143 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416165235 529948537 /nfs/dbraw/zinc/94/85/37/529948537.db2.gz DXTXSQYTJQMRTD-QGZVFWFLSA-N 2 0 329.488 2.235 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000423079129 240357137 /nfs/dbraw/zinc/35/71/37/240357137.db2.gz XGZQVLYKXIPXBU-XWTMOSNGSA-N 2 0 331.508 2.208 10 0 EEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000071188484 202341285 /nfs/dbraw/zinc/34/12/85/202341285.db2.gz DABGUXWKYBFYGH-NHYWBVRUSA-N 2 0 344.272 2.472 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422718328 240191909 /nfs/dbraw/zinc/19/19/09/240191909.db2.gz WYYHUZMWVMBMDB-MISYRCLQSA-N 2 0 347.503 2.189 10 0 EEAERP COC[C@@H](CCC[NH3+])Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422981518 240315650 /nfs/dbraw/zinc/31/56/50/240315650.db2.gz OOIWIYOBJVGBMR-LJQANCHMSA-N 2 0 335.492 2.057 10 0 EEAERP CN(CCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1)CC[NH+](C)C ZINC000459543145 245161287 /nfs/dbraw/zinc/16/12/87/245161287.db2.gz YPLQUUBYOSGKJE-FQEVSTJZSA-N 2 0 332.536 2.076 10 0 EEAERP C[NH+](C)CCCC[NH2+]CC(=O)Nc1ccccc1Br ZINC000045698490 204334206 /nfs/dbraw/zinc/33/42/06/204334206.db2.gz RLCFCEITMPKUMW-UHFFFAOYSA-N 2 0 328.254 2.319 10 0 EEAERP Nc1ccc(F)c(NC(=O)CC[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000267620820 256073316 /nfs/dbraw/zinc/07/33/16/256073316.db2.gz QDPZIJCMOANLMY-UHFFFAOYSA-N 2 0 331.395 2.339 10 0 EEAERP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557445 160398934 /nfs/dbraw/zinc/39/89/34/160398934.db2.gz RQWQUOPYRZQNNI-LJQANCHMSA-N 2 0 329.488 2.499 10 0 EEAERP [NH3+][C@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000164536765 159746941 /nfs/dbraw/zinc/74/69/41/159746941.db2.gz SYDQZIVUBAUAOO-RDJZCZTQSA-N 2 0 333.451 2.424 10 0 EEAERP C[NH+](C)CC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000185727552 160046497 /nfs/dbraw/zinc/04/64/97/160046497.db2.gz SCDRRFLFGLWRPV-ALOPSCKCSA-N 2 0 336.524 2.423 10 0 EEAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000245910336 160256591 /nfs/dbraw/zinc/25/65/91/160256591.db2.gz IXCBCVDSJDAFSC-ZWKOTPCHSA-N 2 0 337.895 2.085 10 0 EEAERP OC[C@H]([NH2+]C/C=C\C[NH2+][C@@H](CO)c1ccsc1)c1ccsc1 ZINC000352019456 162032102 /nfs/dbraw/zinc/03/21/02/162032102.db2.gz FEOVTJHWKSGPOY-GTVVJKOOSA-N 2 0 338.498 2.312 10 0 EEAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000364473598 165149795 /nfs/dbraw/zinc/14/97/95/165149795.db2.gz AIOQWHJZTDWCEE-LJQANCHMSA-N 2 0 337.552 2.277 10 0 EEAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000364473597 165150114 /nfs/dbraw/zinc/15/01/14/165150114.db2.gz AIOQWHJZTDWCEE-IBGZPJMESA-N 2 0 337.552 2.277 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368615671 166091248 /nfs/dbraw/zinc/09/12/48/166091248.db2.gz QUZAPYIHLQVZGB-OTWHNJEPSA-N 2 0 329.488 2.498 10 0 EEAERP CC[NH+](CC)CCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000374346239 167022461 /nfs/dbraw/zinc/02/24/61/167022461.db2.gz HHQDXTRMCBHFPE-MRXNPFEDSA-N 2 0 347.507 2.450 10 0 EEAERP CC1CC[NH+](CCCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278870716 274415492 /nfs/dbraw/zinc/41/54/92/274415492.db2.gz MWCYKVBZIFPHLO-UHFFFAOYSA-N 2 0 343.471 2.384 10 0 EEAERP C[N@H+](CCN1CC[NH+](C[C@H](O)C(C)(C)C)CC1)Cc1ccccc1 ZINC000290277643 275194409 /nfs/dbraw/zinc/19/44/09/275194409.db2.gz LZQGKJJTRVCNGH-IBGZPJMESA-N 2 0 333.520 2.143 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000292198331 275392560 /nfs/dbraw/zinc/39/25/60/275392560.db2.gz SADWCZFUSASWCR-SFHVURJKSA-N 2 0 335.879 2.374 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000344414352 276263126 /nfs/dbraw/zinc/26/31/26/276263126.db2.gz XOJFNVBWBSVBGT-FQEVSTJZSA-N 2 0 331.504 2.469 10 0 EEAERP CN(c1ccccc1CN1CC[NH+](C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000127924980 277003074 /nfs/dbraw/zinc/00/30/74/277003074.db2.gz UHQQUPITVKPCOL-UHFFFAOYSA-N 2 0 342.531 2.497 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000179472219 277165894 /nfs/dbraw/zinc/16/58/94/277165894.db2.gz SINNZLGFFFVCLJ-QYZOEREBSA-N 2 0 342.487 2.312 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]2CCC[C@H]21 ZINC000376729199 277170767 /nfs/dbraw/zinc/17/07/67/277170767.db2.gz NFQVLZZFMDWSKM-SOUVJXGZSA-N 2 0 341.297 2.498 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284155899 293039879 /nfs/dbraw/zinc/03/98/79/293039879.db2.gz DUJKDKYRWROXPR-XAMWDVODSA-N 2 0 331.504 2.413 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297937642 294377677 /nfs/dbraw/zinc/37/76/77/294377677.db2.gz LWIJUUCLIBSJPW-UHFFFAOYSA-N 2 0 329.448 2.256 10 0 EEAERP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000354528821 300678117 /nfs/dbraw/zinc/67/81/17/300678117.db2.gz DUAMXMIPFDIJBR-BFWZDYSYSA-N 2 0 336.524 2.375 10 0 EEAERP COc1ccc(Cn2nc(C)c(CN3CC[C@H]([NH3+])[C@@H]3C)c2C)cc1 ZINC000414782816 313087753 /nfs/dbraw/zinc/08/77/53/313087753.db2.gz JKKCQMOXWSZWCS-KXBFYZLASA-N 2 0 328.460 2.478 10 0 EEAERP CC1(C)CC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000416790678 313317093 /nfs/dbraw/zinc/31/70/93/313317093.db2.gz HHBQRWJHWWHONN-UHFFFAOYSA-N 2 0 347.507 2.170 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417051381 313408347 /nfs/dbraw/zinc/40/83/47/313408347.db2.gz ZTPURWGMCWHCDG-TVFCKZIOSA-N 2 0 336.524 2.280 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000417316981 313482835 /nfs/dbraw/zinc/48/28/35/313482835.db2.gz VMCFFFNVHSWKOX-KSZLIROESA-N 2 0 330.476 2.134 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000418461301 313819964 /nfs/dbraw/zinc/81/99/64/313819964.db2.gz LOLNJGCZFIEPSR-MDASCCDHSA-N 2 0 338.455 2.343 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)CC1 ZINC000418573437 313850189 /nfs/dbraw/zinc/85/01/89/313850189.db2.gz LJLYUDVNSUDUAV-OKZBNKHCSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H](C[NH2+]Cc1ccsc1Br)N1CC[NH+](C)CC1 ZINC000527654461 317237696 /nfs/dbraw/zinc/23/76/96/317237696.db2.gz QIZVUVOYICWZTQ-LLVKDONJSA-N 2 0 332.311 2.236 10 0 EEAERP COc1cc2c(cc1C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530249304 317704696 /nfs/dbraw/zinc/70/46/96/317704696.db2.gz UYIOOHWQKBPLLU-INIZCTEOSA-N 2 0 348.443 2.014 10 0 EEAERP CCCNC(=O)C1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000541538402 318102351 /nfs/dbraw/zinc/10/23/51/318102351.db2.gz QBCZTPZNIFCLQM-UHFFFAOYSA-N 2 0 341.459 2.314 10 0 EEAERP CN(CCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cc[nH+]cc1 ZINC000541857631 318112462 /nfs/dbraw/zinc/11/24/62/318112462.db2.gz WCJNDFDTVGNYEU-UHFFFAOYSA-N 2 0 344.434 2.425 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000542319036 318126238 /nfs/dbraw/zinc/12/62/38/318126238.db2.gz JJGFJWZWUWLKBX-UHFFFAOYSA-N 2 0 339.443 2.066 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000544349012 318185906 /nfs/dbraw/zinc/18/59/06/318185906.db2.gz WKEQGRCNPZNGSW-UHFFFAOYSA-N 2 0 337.431 2.079 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000554749905 318573723 /nfs/dbraw/zinc/57/37/23/318573723.db2.gz ZIYZYZMRQSQOGG-UHFFFAOYSA-N 2 0 334.423 2.195 10 0 EEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563577881 319024658 /nfs/dbraw/zinc/02/46/58/319024658.db2.gz GYZZBPYLKZNJAS-IEBWSBKVSA-N 2 0 336.524 2.426 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000563895562 319053824 /nfs/dbraw/zinc/05/38/24/319053824.db2.gz DYNIZTYFWKVRBX-UHFFFAOYSA-N 2 0 338.455 2.229 10 0 EEAERP C[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000565823642 319217622 /nfs/dbraw/zinc/21/76/22/319217622.db2.gz OENSAFNAUDPCRT-CRAIPNDOSA-N 2 0 329.488 2.286 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000566209181 319260161 /nfs/dbraw/zinc/26/01/61/319260161.db2.gz QJULMMVIYQEJJR-OKZBNKHCSA-N 2 0 333.451 2.343 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000566444875 319288318 /nfs/dbraw/zinc/28/83/18/319288318.db2.gz UNNAZMFNSJZTLH-MRXNPFEDSA-N 2 0 339.549 2.196 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000573958392 319982339 /nfs/dbraw/zinc/98/23/39/319982339.db2.gz HKUPURQNGDFNKG-UHFFFAOYSA-N 2 0 345.487 2.185 10 0 EEAERP Cc1ncncc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000577865549 320281198 /nfs/dbraw/zinc/28/11/98/320281198.db2.gz FHJGNCMUFGHDSO-INIZCTEOSA-N 2 0 331.508 2.386 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@H](c2nccn2C)C(F)(F)F)CC[N@@H+]1C ZINC000579128084 468315784 /nfs/dbraw/zinc/31/57/84/468315784.db2.gz JDWNDOSQWJJLGG-JHJVBQTASA-N 2 0 346.397 2.397 10 0 EEAERP COc1cc(C[NH+]2CCCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011706453 462838565 /nfs/dbraw/zinc/83/85/65/462838565.db2.gz BFWCSECOWSXLLJ-KRWDZBQOSA-N 2 0 336.476 2.371 10 0 EEAERP C[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000132719251 462873887 /nfs/dbraw/zinc/87/38/87/462873887.db2.gz RWMWSDJXNHUVKX-MJGOQNOKSA-N 2 0 329.488 2.104 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000079599120 463233502 /nfs/dbraw/zinc/23/35/02/463233502.db2.gz DKNHTNINQDSUSB-MRXNPFEDSA-N 2 0 326.529 2.479 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000079734019 463245051 /nfs/dbraw/zinc/24/50/51/463245051.db2.gz CSJKYVUUGIGNRA-SJLPKXTDSA-N 2 0 334.508 2.189 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000170829096 463715706 /nfs/dbraw/zinc/71/57/06/463715706.db2.gz WYBBEAIMGDJMQE-SFHVURJKSA-N 2 0 330.476 2.128 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000185385701 463813375 /nfs/dbraw/zinc/81/33/75/463813375.db2.gz ZBCJTUPUGWHSPE-SFHVURJKSA-N 2 0 332.492 2.417 10 0 EEAERP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000177982899 463823182 /nfs/dbraw/zinc/82/31/82/463823182.db2.gz UTHATWAFWDXMIL-MRXNPFEDSA-N 2 0 333.524 2.329 10 0 EEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171611587 463891575 /nfs/dbraw/zinc/89/15/75/463891575.db2.gz OLLPAZYKXPCDIK-IBGZPJMESA-N 2 0 329.488 2.150 10 0 EEAERP O=C(C[NH2+]CC1CC1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262986422 464054443 /nfs/dbraw/zinc/05/44/43/464054443.db2.gz UUQPGDCRTZKXHC-INIZCTEOSA-N 2 0 333.501 2.218 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1 ZINC000245463019 464484930 /nfs/dbraw/zinc/48/49/30/464484930.db2.gz OIIJMWMZWYSAEN-RBUKOAKNSA-N 2 0 327.472 2.348 10 0 EEAERP Cn1ccnc1C[C@@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000181524560 464500723 /nfs/dbraw/zinc/50/07/23/464500723.db2.gz GDAYCRQQLGNATF-AWEZNQCLSA-N 2 0 328.464 2.271 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246527502 464596180 /nfs/dbraw/zinc/59/61/80/464596180.db2.gz VOMXXISUIWPPER-KSZLIROESA-N 2 0 338.540 2.479 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccccc2n1 ZINC000266716485 464798652 /nfs/dbraw/zinc/79/86/52/464798652.db2.gz RSUMCVFYKDPILD-HZPDHXFCSA-N 2 0 327.432 2.103 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000351729301 465323094 /nfs/dbraw/zinc/32/30/94/465323094.db2.gz FYHPHYXLLYZVRW-UHFFFAOYSA-N 2 0 341.402 2.077 10 0 EEAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339567226 465354763 /nfs/dbraw/zinc/35/47/63/465354763.db2.gz FXXJLMZHGWBKCW-ZACQAIPSSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854653 465559933 /nfs/dbraw/zinc/55/99/33/465559933.db2.gz ACAVPHATSGIRLQ-JLSDUUJJSA-N 2 0 337.895 2.253 10 0 EEAERP COC(=O)c1occc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000344621124 465727483 /nfs/dbraw/zinc/72/74/83/465727483.db2.gz YARWWAPIIGLSBQ-UHFFFAOYSA-N 2 0 349.475 2.106 10 0 EEAERP COc1ccsc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000349346203 466077402 /nfs/dbraw/zinc/07/74/02/466077402.db2.gz YARKPFAJPMVLSI-KBPBESRZSA-N 2 0 341.521 2.500 10 0 EEAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001935 466379049 /nfs/dbraw/zinc/37/90/49/466379049.db2.gz FWDNUQOIPGALGJ-ICSRJNTNSA-N 2 0 330.520 2.129 10 0 EEAERP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000363447419 466409352 /nfs/dbraw/zinc/40/93/52/466409352.db2.gz BJVMMMSGYCBHPU-XOKHGSTOSA-N 2 0 336.455 2.210 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000368442058 466637028 /nfs/dbraw/zinc/63/70/28/466637028.db2.gz NPTQGJODELPBBG-VEZWFGLTSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423251518 466703821 /nfs/dbraw/zinc/70/38/21/466703821.db2.gz WNEARMVVJDFYFP-CXAGYDPISA-N 2 0 333.457 2.409 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417050759 466765261 /nfs/dbraw/zinc/76/52/61/466765261.db2.gz XRKYGTWDYZWTJS-XWTMOSNGSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)C[NH+]1CCCCC1 ZINC000417168772 466794822 /nfs/dbraw/zinc/79/48/22/466794822.db2.gz BGRUYMAUJKOTPK-SFHVURJKSA-N 2 0 346.519 2.321 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000417630426 466895679 /nfs/dbraw/zinc/89/56/79/466895679.db2.gz QXHWQIHNWZPPIS-ZOBUZTSGSA-N 2 0 332.492 2.413 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000417741461 466921378 /nfs/dbraw/zinc/92/13/78/466921378.db2.gz UMODHYZULFZPPE-GJZGRUSLSA-N 2 0 344.459 2.447 10 0 EEAERP C[NH2+][C@@H]1CCCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418049705 467034678 /nfs/dbraw/zinc/03/46/78/467034678.db2.gz YKVNFELZQUJZIT-QUCCMNQESA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418140050 467057746 /nfs/dbraw/zinc/05/77/46/467057746.db2.gz KOFHYSXQTWYPJI-LZQZEXGQSA-N 2 0 344.503 2.194 10 0 EEAERP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418451068 467113055 /nfs/dbraw/zinc/11/30/55/467113055.db2.gz VFQPCFIFPAHPAR-BBWFWOEESA-N 2 0 336.455 2.169 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418614650 467136192 /nfs/dbraw/zinc/13/61/92/467136192.db2.gz JJNTVUPZHPICQF-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+](C)CC1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCCC1 ZINC000426448254 467142660 /nfs/dbraw/zinc/14/26/60/467142660.db2.gz FBPHKZHPRRSDPJ-UHFFFAOYSA-N 2 0 327.432 2.718 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418778563 467158196 /nfs/dbraw/zinc/15/81/96/467158196.db2.gz ZRLWRQNFIWCBDO-UHFFFAOYSA-N 2 0 336.524 2.122 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCCC2 ZINC000450970024 467217904 /nfs/dbraw/zinc/21/79/04/467217904.db2.gz MFQDZYJVZRZWCH-QZTJIDSGSA-N 2 0 349.519 2.057 10 0 EEAERP CCN1CCN(C(=O)[C@@H](C)N2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451839092 467269869 /nfs/dbraw/zinc/26/98/69/467269869.db2.gz NMLKSZXDUCYABN-WBVHZDCISA-N 2 0 331.460 2.359 10 0 EEAERP O=C1NCCC[C@H]1[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167088 467301111 /nfs/dbraw/zinc/30/11/11/467301111.db2.gz HRCVLRBENVKMEE-GOSISDBHSA-N 2 0 327.472 2.253 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1C[NH+](C)C[C@H]1C ZINC000414274677 467396932 /nfs/dbraw/zinc/39/69/32/467396932.db2.gz VHEHVTWNAYZIAC-RSPOEFSDSA-N 2 0 331.504 2.063 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407352475 467484054 /nfs/dbraw/zinc/48/40/54/467484054.db2.gz CFDPLJDFCPSAPD-GBESFXJTSA-N 2 0 327.472 2.298 10 0 EEAERP COc1cc(CN2CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088988 467486827 /nfs/dbraw/zinc/48/68/27/467486827.db2.gz WASTZGNBQDIHTN-IRXDYDNUSA-N 2 0 335.492 2.241 10 0 EEAERP CC(C)C(=O)NCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449062831 467615848 /nfs/dbraw/zinc/61/58/48/467615848.db2.gz NCJNSRMYNVTKEB-KRWDZBQOSA-N 2 0 331.504 2.444 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@]3(C1)CCC[N@@H+](C)C3)C2 ZINC000458474264 467841263 /nfs/dbraw/zinc/84/12/63/467841263.db2.gz MNOXKTUVFLFNDI-PHSGOXPASA-N 2 0 334.508 2.129 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@H]2CCC[C@@H]21 ZINC000515239398 467981475 /nfs/dbraw/zinc/98/14/75/467981475.db2.gz DNCOBCRQDJGZAB-IKGGRYGDSA-N 2 0 337.489 2.021 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000519590143 468177899 /nfs/dbraw/zinc/17/78/99/468177899.db2.gz ZRLBIJNBQZKAHS-WDSOQIARSA-N 2 0 344.503 2.429 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000569558413 468509441 /nfs/dbraw/zinc/50/94/41/468509441.db2.gz GFWZAWPDGJYSQE-MAUKXSAKSA-N 2 0 330.476 2.080 10 0 EEAERP [NH3+]C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000557147352 468615903 /nfs/dbraw/zinc/61/59/03/468615903.db2.gz VHUSQSNVFAFNOG-XVLXNVKGSA-N 2 0 342.487 2.219 10 0 EEAERP CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000570859954 468705508 /nfs/dbraw/zinc/70/55/08/468705508.db2.gz PZEIEQJVQFTGEI-SXLOBPIMSA-N 2 0 333.520 2.456 10 0 EEAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000571402725 468783491 /nfs/dbraw/zinc/78/34/91/468783491.db2.gz ZJEVBNBRLIIWBI-IXDOHACOSA-N 2 0 335.467 2.493 10 0 EEAERP COC(=O)c1cnc([C@@H]2CCCN(C[C@@H]([NH3+])CC(C)C)C2)s1 ZINC000596106353 469157921 /nfs/dbraw/zinc/15/79/21/469157921.db2.gz OYBITSYQTARROC-OLZOCXBDSA-N 2 0 325.478 2.483 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000618547106 469383665 /nfs/dbraw/zinc/38/36/65/469383665.db2.gz BTLCZIBBTGSJDB-QZTJIDSGSA-N 2 0 332.492 2.245 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000629569017 469583028 /nfs/dbraw/zinc/58/30/28/469583028.db2.gz NRPKRESABHFINF-CABCVRRESA-N 2 0 347.459 2.166 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617111138 469596057 /nfs/dbraw/zinc/59/60/57/469596057.db2.gz JFNZEHKDXPOSAX-HNNXBMFYSA-N 2 0 339.524 2.160 10 0 EEAERP COc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OC1CC1 ZINC000623440489 469657311 /nfs/dbraw/zinc/65/73/11/469657311.db2.gz YORNNIAGJLRJIC-UHFFFAOYSA-N 2 0 347.503 2.352 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574719 469698823 /nfs/dbraw/zinc/69/88/23/469698823.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 2 0 344.547 2.265 10 0 EEAERP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCCC1 ZINC000623745205 469750667 /nfs/dbraw/zinc/75/06/67/469750667.db2.gz JYWPGKYSUNIJTE-UHFFFAOYSA-N 2 0 327.432 2.006 10 0 EEAERP CC[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000626934653 469761049 /nfs/dbraw/zinc/76/10/49/469761049.db2.gz KSHDOUKBDPIYDX-ATZDWAIDSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626936672 469761649 /nfs/dbraw/zinc/76/16/49/469761649.db2.gz KWJJRMXSFBWFSE-YTQUADARSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623885195 469788137 /nfs/dbraw/zinc/78/81/37/469788137.db2.gz SUWHUCXIGQPSNV-YJBOKZPZSA-N 2 0 333.476 2.025 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627199334 469841819 /nfs/dbraw/zinc/84/18/19/469841819.db2.gz VRMBPXOYYGPXBX-AEFFLSMTSA-N 2 0 332.492 2.209 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624319730 469904810 /nfs/dbraw/zinc/90/48/10/469904810.db2.gz XSMDCKNRVBAGEJ-YSTOQKLRSA-N 2 0 332.488 2.417 10 0 EEAERP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000624338726 469908824 /nfs/dbraw/zinc/90/88/24/469908824.db2.gz BQAFMPBSNJWCQG-KRWDZBQOSA-N 2 0 325.541 2.322 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000631662849 470176865 /nfs/dbraw/zinc/17/68/65/470176865.db2.gz WRRNZXJAJLTCSA-JKSUJKDBSA-N 2 0 333.480 2.127 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCCCCC1 ZINC000634047441 470215444 /nfs/dbraw/zinc/21/54/44/470215444.db2.gz FIEQZOJKWRJEBS-SJORKVTESA-N 2 0 336.524 2.459 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000634745703 470291597 /nfs/dbraw/zinc/29/15/97/470291597.db2.gz PSDCQMTYNGJPHG-SESVDKBCSA-N 2 0 341.499 2.357 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000634770058 470303943 /nfs/dbraw/zinc/30/39/43/470303943.db2.gz YRYPEIFFXXFVFF-HYJFEMIMSA-N 2 0 327.472 2.155 10 0 EEAERP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cnc(C)nc2N)cc1 ZINC000648901925 470387886 /nfs/dbraw/zinc/38/78/86/470387886.db2.gz PAGTZXHKBNPMMK-UHFFFAOYSA-N 2 0 341.459 2.359 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649288452 470529604 /nfs/dbraw/zinc/52/96/04/470529604.db2.gz RJBKPJVTKAEDNU-HNNXBMFYSA-N 2 0 331.460 2.236 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)CCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296535 470594323 /nfs/dbraw/zinc/59/43/23/470594323.db2.gz UPPJIFCIZUZAEW-IEBWSBKVSA-N 2 0 331.460 2.218 10 0 EEAERP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760200 470653740 /nfs/dbraw/zinc/65/37/40/470653740.db2.gz UGDWODZQFQIFLD-SFHVURJKSA-N 2 0 346.471 2.047 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000635878058 470794113 /nfs/dbraw/zinc/79/41/13/470794113.db2.gz MQUDGNVLKCOQGT-NRXISQOPSA-N 2 0 347.425 2.392 10 0 EEAERP Cc1ccccc1-n1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cn1 ZINC000648036272 471062699 /nfs/dbraw/zinc/06/26/99/471062699.db2.gz DHJMZTCRINGMOQ-UHFFFAOYSA-N 2 0 343.519 2.496 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000657355132 471110379 /nfs/dbraw/zinc/11/03/79/471110379.db2.gz CJCPWTYSGFUSSO-GBESFXJTSA-N 2 0 345.487 2.041 10 0 EEAERP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1O ZINC000657593911 471178293 /nfs/dbraw/zinc/17/82/93/471178293.db2.gz CMSRCTIQCVADLR-SFHVURJKSA-N 2 0 342.439 2.257 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000652288073 471267083 /nfs/dbraw/zinc/26/70/83/471267083.db2.gz SBWWHIPOJGDFHB-QAPCUYQASA-N 2 0 332.492 2.278 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@H]2CCC[C@H]21 ZINC000658290130 471285549 /nfs/dbraw/zinc/28/55/49/471285549.db2.gz ARSFQVOOOGIAAL-RHQZKXFESA-N 2 0 333.520 2.092 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655443264 471326989 /nfs/dbraw/zinc/32/69/89/471326989.db2.gz OUQIVYCJWGPIHZ-UYAOXDASSA-N 2 0 327.472 2.288 10 0 EEAERP Cc1c(NCC2CC[NH+](C)CC2)ncnc1NCC1CC[NH+](C)CC1 ZINC000663521644 471410408 /nfs/dbraw/zinc/41/04/08/471410408.db2.gz WKOBHSIJYUMKJJ-UHFFFAOYSA-N 2 0 346.523 2.292 10 0 EEAERP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CCC(=O)N1 ZINC000666476959 471415996 /nfs/dbraw/zinc/41/59/96/471415996.db2.gz CRPAKUZRVBVRSH-KRWDZBQOSA-N 2 0 333.476 2.116 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000669267735 471437621 /nfs/dbraw/zinc/43/76/21/471437621.db2.gz UQOHSJWSRPPEAB-STOZHHMFSA-N 2 0 336.867 2.291 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655823161 471495537 /nfs/dbraw/zinc/49/55/37/471495537.db2.gz CLIPCVLFANMUHY-HRCADAONSA-N 2 0 343.475 2.163 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000666755646 471524351 /nfs/dbraw/zinc/52/43/51/471524351.db2.gz BTTRZVLKECXWCL-KSZLIROESA-N 2 0 338.540 2.479 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000669521058 471532308 /nfs/dbraw/zinc/53/23/08/471532308.db2.gz MGGYDJQMWHJPHW-GOSISDBHSA-N 2 0 340.471 2.405 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000655909831 471532345 /nfs/dbraw/zinc/53/23/45/471532345.db2.gz HKRXPHVXGWFWDM-ZIAGYGMSSA-N 2 0 346.397 2.041 10 0 EEAERP C[C@@H]1C[C@H](CCNC(=O)NC/C=C\C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000669543037 471542277 /nfs/dbraw/zinc/54/22/77/471542277.db2.gz ZTDJPMTZHFUWKF-ROEZOGTPSA-N 2 0 330.476 2.101 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669555691 471549857 /nfs/dbraw/zinc/54/98/57/471549857.db2.gz AQMBLQNDKCDHHJ-ZWOKBUDYSA-N 2 0 348.535 2.425 10 0 EEAERP CCN(C(=O)NCc1cccc(C[NH+](C)CC)c1)[C@H]1CC[N@H+](C)C1 ZINC000663868489 471556680 /nfs/dbraw/zinc/55/66/80/471556680.db2.gz RQGTXVMSNZHRCS-SFHVURJKSA-N 2 0 332.492 2.374 10 0 EEAERP C[C@]1(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565862 471559864 /nfs/dbraw/zinc/55/98/64/471559864.db2.gz NRLACICLDCIETI-UYAOXDASSA-N 2 0 344.503 2.482 10 0 EEAERP C[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC[NH2+]C1 ZINC000659382974 471599520 /nfs/dbraw/zinc/59/95/20/471599520.db2.gz SFLFLJVNNPDXTP-AZUAARDMSA-N 2 0 341.499 2.405 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000656152871 471609666 /nfs/dbraw/zinc/60/96/66/471609666.db2.gz KVOJZDHMQOMFIQ-IMJJTQAJSA-N 2 0 326.868 2.147 10 0 EEAERP [NH3+]C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CCCCC1 ZINC000667148640 471671708 /nfs/dbraw/zinc/67/17/08/471671708.db2.gz JDSRCKCJBTYCPU-MRXNPFEDSA-N 2 0 328.420 2.296 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000659559258 471677127 /nfs/dbraw/zinc/67/71/27/471677127.db2.gz AMKTWJZEAWUTFE-MRXNPFEDSA-N 2 0 332.492 2.326 10 0 EEAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577315 471684125 /nfs/dbraw/zinc/68/41/25/471684125.db2.gz QESJRDJISWQONK-FGTMMUONSA-N 2 0 332.492 2.147 10 0 EEAERP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659609508 471698300 /nfs/dbraw/zinc/69/83/00/471698300.db2.gz BDUWEGHFDURLMS-SJLPKXTDSA-N 2 0 344.503 2.277 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000664292004 471707378 /nfs/dbraw/zinc/70/73/78/471707378.db2.gz KONGSTSLVBNJTG-INIZCTEOSA-N 2 0 338.883 2.146 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000661406187 471747416 /nfs/dbraw/zinc/74/74/16/471747416.db2.gz IVKVMFXFWZZKBO-KRWDZBQOSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@]12COC[C@]1(C)C[NH+](CCCC[N@H+]1C[C@]3(C)COC[C@]3(C)C1)C2 ZINC000661489046 471775877 /nfs/dbraw/zinc/77/58/77/471775877.db2.gz ARVPFZGWYRMQNP-FGYAAKKASA-N 2 0 336.520 2.483 10 0 EEAERP COCCN(C)c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782236 471839358 /nfs/dbraw/zinc/83/93/58/471839358.db2.gz CZPFZYSWTRBNPU-IBGZPJMESA-N 2 0 346.519 2.376 10 0 EEAERP C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835858 471875108 /nfs/dbraw/zinc/87/51/08/471875108.db2.gz MDWKPEOPHJVPQB-YJBOKZPZSA-N 2 0 329.488 2.483 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000664865028 471883319 /nfs/dbraw/zinc/88/33/19/471883319.db2.gz FATSKSCHYMCJJK-NJAFHUGGSA-N 2 0 332.492 2.413 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654396722 471942535 /nfs/dbraw/zinc/94/25/35/471942535.db2.gz LBHPFRVACJOUMX-RNIPGJKVSA-N 2 0 344.503 2.461 10 0 EEAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233397 471975087 /nfs/dbraw/zinc/97/50/87/471975087.db2.gz HAINRBCSBAUEIW-DYESRHJHSA-N 3 0 345.531 2.426 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000665259844 471983761 /nfs/dbraw/zinc/98/37/61/471983761.db2.gz SGAOPPJKILRKTA-DWRORGKVSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cn1 ZINC000665287857 471991310 /nfs/dbraw/zinc/99/13/10/471991310.db2.gz WRCYBNDZFFBPBI-MRXNPFEDSA-N 2 0 336.455 2.252 10 0 EEAERP COc1ccccc1-c1cc(C[NH2+][C@@H](C)C[C@@H]2COCCN2)on1 ZINC000665298887 471994721 /nfs/dbraw/zinc/99/47/21/471994721.db2.gz BUSHIQZVPCTNAI-UONOGXRCSA-N 2 0 331.416 2.207 10 0 EEAERP C[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC2(CCOCC2)O1 ZINC000668088227 472004093 /nfs/dbraw/zinc/00/40/93/472004093.db2.gz WNQFXVYHDLUOAW-OAHLLOKOSA-N 2 0 328.416 2.037 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662685873 472207396 /nfs/dbraw/zinc/20/73/96/472207396.db2.gz ZUBBQNAWNRLMRJ-SFHVURJKSA-N 2 0 327.472 2.442 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc2c1ccn2C ZINC000665950228 472248234 /nfs/dbraw/zinc/24/82/34/472248234.db2.gz IQYUZDOBQDYZKL-UHFFFAOYSA-N 2 0 331.464 2.183 10 0 EEAERP [NH3+]C1(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000662802770 472259069 /nfs/dbraw/zinc/25/90/69/472259069.db2.gz DBWKHGHEAINUMB-ROUUACIJSA-N 2 0 327.472 2.381 10 0 EEAERP Fc1ccc([C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)C2CC2)cc1 ZINC000678685522 485479904 /nfs/dbraw/zinc/47/99/04/485479904.db2.gz IIPCLZFZPKUDRD-WOJBJXKFSA-N 2 0 347.478 2.273 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000673865380 485561521 /nfs/dbraw/zinc/56/15/21/485561521.db2.gz VJIXYZDXTVSSMB-CJNGLKHVSA-N 2 0 328.420 2.214 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626955097 485694815 /nfs/dbraw/zinc/69/48/15/485694815.db2.gz SRTCGRHKFRQINA-QRQLOZEOSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000676647897 486272706 /nfs/dbraw/zinc/27/27/06/486272706.db2.gz LEYGKPFOOWAMBL-QAPCUYQASA-N 2 0 345.491 2.000 10 0 EEAERP CN(C(=O)NCCC1(F)CCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673196385 486292317 /nfs/dbraw/zinc/29/23/17/486292317.db2.gz FZRFQIPSLMZYGX-INIZCTEOSA-N 2 0 340.487 2.079 10 0 EEAERP COC(=O)c1ccc2c(cnn2CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000768501770 577557066 /nfs/dbraw/zinc/55/70/66/577557066.db2.gz WLFFNQOVFXBWGO-NVXWUHKLSA-N 2 0 342.443 2.197 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000764465201 577736743 /nfs/dbraw/zinc/73/67/43/577736743.db2.gz DKMDFIPAYKJULK-HMXCVIKNSA-N 2 0 345.531 2.295 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925643802 684700869 /nfs/dbraw/zinc/70/08/69/684700869.db2.gz IEKNADMGLVMFQU-NEPJUHHUSA-N 2 0 325.478 2.358 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccnn1CC1CCC1 ZINC000924663073 693098997 /nfs/dbraw/zinc/09/89/97/693098997.db2.gz ULSYHRKRYRUTMG-KRWDZBQOSA-N 2 0 333.524 2.361 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cnccc2C)C1)[NH+](CC)CC ZINC001485523918 1191825600 /nfs/dbraw/zinc/82/56/00/1191825600.db2.gz RFIXOYQARLMYLE-QFBILLFUSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ccc(CC[NH+]2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001485537804 1191827289 /nfs/dbraw/zinc/82/72/89/1191827289.db2.gz UDCQHGNDXIKXJW-KRWDZBQOSA-N 2 0 329.488 2.070 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001485537821 1191827301 /nfs/dbraw/zinc/82/73/01/1191827301.db2.gz UHMKKLXIPWCHLS-TZMCWYRMSA-N 2 0 348.318 2.103 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001485666797 1191887113 /nfs/dbraw/zinc/88/71/13/1191887113.db2.gz VHGYYTYOVBFHEJ-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)OCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001691793125 1176144578 /nfs/dbraw/zinc/14/45/78/1176144578.db2.gz UEHFKGZYKYHSIQ-IBGZPJMESA-N 2 0 347.503 2.200 10 0 EEAERP O=C(NC[C@H]([NH2+]CCCC1CCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001266410105 1176498497 /nfs/dbraw/zinc/49/84/97/1176498497.db2.gz YHBGPBQESRLGSI-OALUTQOASA-N 2 0 333.520 2.393 10 0 EEAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C[C@@H]1CCC(F)(F)C1 ZINC001480874535 1176543251 /nfs/dbraw/zinc/54/32/51/1176543251.db2.gz AJNQRWPJHMNDNZ-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266460090 1176575619 /nfs/dbraw/zinc/57/56/19/1176575619.db2.gz WYYDRVINJMYVNF-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001670555716 1176898961 /nfs/dbraw/zinc/89/89/61/1176898961.db2.gz CVPRCTHXNULZLI-VQTJNVASSA-N 2 0 343.515 2.228 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266624691 1177020029 /nfs/dbraw/zinc/02/00/29/1177020029.db2.gz LZRNJSGTOVZBGL-BZSNNMDCSA-N 2 0 339.524 2.159 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266753007 1177353989 /nfs/dbraw/zinc/35/39/89/1177353989.db2.gz YYPASFAFIGGRQW-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCOC1CC(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266854408 1177572833 /nfs/dbraw/zinc/57/28/33/1177572833.db2.gz NIWCAVWZDDYLJX-ABHNRTSZSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nccs1 ZINC001266880500 1177694716 /nfs/dbraw/zinc/69/47/16/1177694716.db2.gz KUDHSZMVCZZAOP-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC[C@H]1CCCO1)CC2 ZINC001486149587 1193700199 /nfs/dbraw/zinc/70/01/99/1193700199.db2.gz PAHSEYCHRWXNEG-LMMKCTJWSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001267116459 1178279345 /nfs/dbraw/zinc/27/93/45/1178279345.db2.gz BILKSVJKPONEJQ-KRWDZBQOSA-N 2 0 331.504 2.180 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001267176027 1178415295 /nfs/dbraw/zinc/41/52/95/1178415295.db2.gz XKYUVIJYMLSCFD-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267196575 1178474991 /nfs/dbraw/zinc/47/49/91/1178474991.db2.gz JVHVFKGHXNUSRV-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cncn1CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC001481100943 1179740048 /nfs/dbraw/zinc/74/00/48/1179740048.db2.gz BEALXKACAVFDAH-INIZCTEOSA-N 2 0 344.434 2.277 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)cs1 ZINC001481110708 1179763562 /nfs/dbraw/zinc/76/35/62/1179763562.db2.gz AUEVARLCOVXSEP-HOCLYGCPSA-N 2 0 335.517 2.336 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1F ZINC001481228875 1180359583 /nfs/dbraw/zinc/35/95/83/1180359583.db2.gz KNMKQTRPDXPHLL-KRWDZBQOSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)sn1 ZINC001481246082 1180437289 /nfs/dbraw/zinc/43/72/89/1180437289.db2.gz PGPDNQRVNORKOJ-GOEBONIOSA-N 2 0 336.505 2.016 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CCC2CCOCC2)ccc2c[nH+]cn21 ZINC001481250476 1180468611 /nfs/dbraw/zinc/46/86/11/1180468611.db2.gz VURAYTMOZOVHJU-UHFFFAOYSA-N 2 0 344.459 2.121 10 0 EEAERP Cc1cncc(C[NH2+]CCC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001267921168 1180767700 /nfs/dbraw/zinc/76/77/00/1180767700.db2.gz KTWRPQCWXURGBZ-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(F)F)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314562 1181009513 /nfs/dbraw/zinc/00/95/13/1181009513.db2.gz HSNZPSDFMMPQDM-OAHLLOKOSA-N 2 0 325.403 2.124 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001268159488 1181870570 /nfs/dbraw/zinc/87/05/70/1181870570.db2.gz NCFUWWWPIQUVGV-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001481655423 1182139346 /nfs/dbraw/zinc/13/93/46/1182139346.db2.gz ZZUVOMLYTSRWIF-HZPDHXFCSA-N 2 0 345.487 2.146 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001268288302 1182170221 /nfs/dbraw/zinc/17/02/21/1182170221.db2.gz RAKBAMDWEFVEJD-CABCVRRESA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2)cn1 ZINC001268375139 1182385548 /nfs/dbraw/zinc/38/55/48/1182385548.db2.gz NDUHSWLEAPKBEM-CQSZACIVSA-N 2 0 329.448 2.006 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380707 1182408135 /nfs/dbraw/zinc/40/81/35/1182408135.db2.gz ZXCSHLFGFDRRES-CQSZACIVSA-N 2 0 346.475 2.165 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)CCn1ccnc1 ZINC001268382988 1182414322 /nfs/dbraw/zinc/41/43/22/1182414322.db2.gz GUXWMOWWKRSOGP-HNNXBMFYSA-N 2 0 332.423 2.405 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001268397473 1182475240 /nfs/dbraw/zinc/47/52/40/1182475240.db2.gz QEUBQUCPGHEDQG-OAHLLOKOSA-N 2 0 333.476 2.021 10 0 EEAERP CN(C(=O)Cn1ccnc1)[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481754323 1182554823 /nfs/dbraw/zinc/55/48/23/1182554823.db2.gz MPMAZWANLNVZHS-LJQANCHMSA-N 2 0 340.471 2.439 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268458365 1182735125 /nfs/dbraw/zinc/73/51/25/1182735125.db2.gz LXHAHSKWBCLIQW-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001481860770 1182824996 /nfs/dbraw/zinc/82/49/96/1182824996.db2.gz DXGBHUFZHVSUJW-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(C)ccc1OC ZINC001481867144 1182837486 /nfs/dbraw/zinc/83/74/86/1182837486.db2.gz AZJNEGLXTQUANH-QGZVFWFLSA-N 2 0 345.487 2.084 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)C1CC[NH+](C)CC1 ZINC001268477070 1182892078 /nfs/dbraw/zinc/89/20/78/1182892078.db2.gz XNFKQVQSGRDDAC-UHFFFAOYSA-N 2 0 335.467 2.436 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001482005344 1183111319 /nfs/dbraw/zinc/11/13/19/1183111319.db2.gz KNOOHICUDKFEAZ-QGZVFWFLSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC(CC[NH2+]CC2CC(F)(F)C2)CC1 ZINC001482008459 1183132008 /nfs/dbraw/zinc/13/20/08/1183132008.db2.gz UCNHUYTWHPNMFB-UHFFFAOYSA-N 2 0 343.462 2.346 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001268542909 1183214602 /nfs/dbraw/zinc/21/46/02/1183214602.db2.gz SFENIWJPTQOORT-YMBKRIDGSA-N 2 0 334.464 2.036 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482110077 1183345115 /nfs/dbraw/zinc/34/51/15/1183345115.db2.gz MNHCIMUHPMDPDD-YJBOKZPZSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001482167260 1183489573 /nfs/dbraw/zinc/48/95/73/1183489573.db2.gz CYJHRXFCVJDKTL-GOEBONIOSA-N 2 0 337.895 2.176 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CCc2ccccc2F)CC1 ZINC001268609286 1183517980 /nfs/dbraw/zinc/51/79/80/1183517980.db2.gz PYYCEMJKUNYXSH-SNAWJCMRSA-N 2 0 347.478 2.362 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001268630230 1183555357 /nfs/dbraw/zinc/55/53/57/1183555357.db2.gz HEJDZIRMSJNHMK-ARJAWSKDSA-N 2 0 330.476 2.028 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001268811185 1183726451 /nfs/dbraw/zinc/72/64/51/1183726451.db2.gz LSYBDQJYOUGBQD-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001268826009 1183744422 /nfs/dbraw/zinc/74/44/22/1183744422.db2.gz PLGVYRASYHXAOU-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CN(CCC[NH2+]CC/C=C\c1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945549 1183839850 /nfs/dbraw/zinc/83/98/50/1183839850.db2.gz FPOWCSVXLRSHCJ-LFIXQJEJSA-N 2 0 329.488 2.480 10 0 EEAERP O=C(N[C@H](C[NH2+]CCC1CCCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001269071068 1183938880 /nfs/dbraw/zinc/93/88/80/1183938880.db2.gz BCPPXERTDDXJQL-RBUKOAKNSA-N 2 0 333.520 2.393 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCCC(F)(F)F)C1CC1 ZINC001269104004 1183964105 /nfs/dbraw/zinc/96/41/05/1183964105.db2.gz LLPJFZAJRNMIHC-ZIAGYGMSSA-N 2 0 335.414 2.298 10 0 EEAERP CN(C(=O)C(C)(C)c1cnc[nH]1)[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001269286721 1184140203 /nfs/dbraw/zinc/14/02/03/1184140203.db2.gz AWYNOGRRAJYXMY-MRXNPFEDSA-N 2 0 348.491 2.037 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@](C)(C[NH2+]C/C=C/Cl)C2CC2)CC1 ZINC001269644638 1184469351 /nfs/dbraw/zinc/46/93/51/1184469351.db2.gz HBVOLQWAWNYEHV-HJYWZVSTSA-N 2 0 327.900 2.345 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001269798775 1184627854 /nfs/dbraw/zinc/62/78/54/1184627854.db2.gz OBMFCMDMTOSFRC-IAGOWNOFSA-N 2 0 349.544 2.461 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001270164556 1184891726 /nfs/dbraw/zinc/89/17/26/1184891726.db2.gz AGYCIJIIXQQGCP-YJBOKZPZSA-N 2 0 339.499 2.437 10 0 EEAERP Cc1conc1CNC[C@@H](C)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001482299986 1185199599 /nfs/dbraw/zinc/19/95/99/1185199599.db2.gz WMGUTPWEVWRFRG-GFCCVEGCSA-N 2 0 327.388 2.110 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001270798294 1185395271 /nfs/dbraw/zinc/39/52/71/1185395271.db2.gz BIAVMCGPXDQYPR-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000290427210 1185525663 /nfs/dbraw/zinc/52/56/63/1185525663.db2.gz GVOUORGUURDJTL-NBMJBFSESA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482428603 1185686782 /nfs/dbraw/zinc/68/67/82/1185686782.db2.gz KHIWTCOPXTTWGA-QAPCUYQASA-N 2 0 342.487 2.446 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCOC)CC[N@@H+]1C ZINC001482448832 1185810904 /nfs/dbraw/zinc/81/09/04/1185810904.db2.gz MBQOSGMUODWOLG-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271067849 1185855132 /nfs/dbraw/zinc/85/51/32/1185855132.db2.gz LIYYNBHAQPVBRI-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482479676 1186054794 /nfs/dbraw/zinc/05/47/94/1186054794.db2.gz CZYGSMUZDWRHOH-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001271677964 1186371114 /nfs/dbraw/zinc/37/11/14/1186371114.db2.gz PIJBYXKEUXDZDF-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482598535 1187323830 /nfs/dbraw/zinc/32/38/30/1187323830.db2.gz IPSKWXYUCZLKFN-WOJBJXKFSA-N 2 0 341.499 2.406 10 0 EEAERP CN(CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccns1 ZINC001482606452 1187360365 /nfs/dbraw/zinc/36/03/65/1187360365.db2.gz PTYWCXUKKAYSFM-GOEBONIOSA-N 2 0 336.505 2.050 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272780601 1193495370 /nfs/dbraw/zinc/49/53/70/1193495370.db2.gz AWTTWABPQVFRFE-IIDMSEBBSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCC[NH+]2CCCC2)o1 ZINC001482698932 1187668958 /nfs/dbraw/zinc/66/89/58/1187668958.db2.gz UAKVMDDSDLQORV-SJLPKXTDSA-N 2 0 348.491 2.234 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](O)C[NH2+]CCC(C)(C)C ZINC001482743987 1187701540 /nfs/dbraw/zinc/70/15/40/1187701540.db2.gz NMCNHGJCBWHHLP-MRXNPFEDSA-N 2 0 341.540 2.142 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001482898337 1187810262 /nfs/dbraw/zinc/81/02/62/1187810262.db2.gz CJTLJXIWXJRSKD-ZWKOTPCHSA-N 2 0 343.515 2.372 10 0 EEAERP Cc1ccc(C)c(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001482888285 1187814906 /nfs/dbraw/zinc/81/49/06/1187814906.db2.gz INDRXDCUMKUAFY-KRWDZBQOSA-N 2 0 329.488 2.384 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001482930560 1187851952 /nfs/dbraw/zinc/85/19/52/1187851952.db2.gz JDUBRQICQRUJNK-PKOBYXMFSA-N 2 0 344.503 2.345 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C(C)C)nc1C)C(=O)Cn1ccnc1C ZINC001482968785 1187906661 /nfs/dbraw/zinc/90/66/61/1187906661.db2.gz XKISEHTYMXSFJS-UHFFFAOYSA-N 2 0 347.463 2.250 10 0 EEAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482970762 1187908051 /nfs/dbraw/zinc/90/80/51/1187908051.db2.gz YFGVRACRBXZPRF-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001483012259 1187994880 /nfs/dbraw/zinc/99/48/80/1187994880.db2.gz SXWZCQFNFYEION-FFPCURRISA-N 2 0 327.472 2.099 10 0 EEAERP Cc1nc(CNC/C=C/CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cs1 ZINC001483022895 1188012933 /nfs/dbraw/zinc/01/29/33/1188012933.db2.gz LSMJWTZYOYIHGE-RYTMFUSVSA-N 2 0 348.516 2.230 10 0 EEAERP CC(C)OCCC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001272810923 1193539971 /nfs/dbraw/zinc/53/99/71/1193539971.db2.gz PDVITRGZRBKOJW-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691555808 1188259651 /nfs/dbraw/zinc/25/96/51/1188259651.db2.gz KLVHKXPTJOTXMD-LSDHHAIUSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001483069124 1188414943 /nfs/dbraw/zinc/41/49/43/1188414943.db2.gz JVJYRHISLDZLOJ-AWFCHZOYSA-N 2 0 348.466 2.247 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cn1 ZINC001483069407 1188415874 /nfs/dbraw/zinc/41/58/74/1188415874.db2.gz MPTOBCSKOOZLST-PYTPGESOSA-N 2 0 348.466 2.246 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnc(Cl)s1 ZINC001483127282 1188593583 /nfs/dbraw/zinc/59/35/83/1188593583.db2.gz NQVIHIVMYDHDOG-YPMHNXCESA-N 2 0 344.912 2.264 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cc2ccccc2o1 ZINC001409494065 1189857655 /nfs/dbraw/zinc/85/76/55/1189857655.db2.gz AFGYGSDUPQATQA-YOEHRIQHSA-N 2 0 329.444 2.464 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259509 1190284603 /nfs/dbraw/zinc/28/46/03/1190284603.db2.gz DOLMJWXDVLHWAW-RIVXBTQJSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2cnc(C)s2)CC[N@@H+]1C ZINC001483340994 1190372766 /nfs/dbraw/zinc/37/27/66/1190372766.db2.gz XWWBDGQXRBRJDC-UHOFOFEASA-N 2 0 338.521 2.118 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483446892 1190483167 /nfs/dbraw/zinc/48/31/67/1190483167.db2.gz DFVRUJVSPNMWEY-HOTGVXAUSA-N 2 0 336.480 2.088 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)c1F)C(=O)CC[NH+](C)C ZINC001483490211 1190504690 /nfs/dbraw/zinc/50/46/90/1190504690.db2.gz YQCFMHDOTDMWGP-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001483504835 1190518229 /nfs/dbraw/zinc/51/82/29/1190518229.db2.gz GYRZVJCFOSWESH-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001409789747 1190620932 /nfs/dbraw/zinc/62/09/32/1190620932.db2.gz SXEWLLSMRASFTF-UHFFFAOYSA-N 2 0 332.492 2.332 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCF)CCCCC1 ZINC001272290737 1190745523 /nfs/dbraw/zinc/74/55/23/1190745523.db2.gz OEMRAWOCEUAZCN-CVEARBPZSA-N 2 0 327.488 2.343 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001483694276 1190769056 /nfs/dbraw/zinc/76/90/56/1190769056.db2.gz VGWVNTHLZJFKFG-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ccncc1C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483744321 1190896474 /nfs/dbraw/zinc/89/64/74/1190896474.db2.gz UQDWKYYDKRLUSM-MSOLQXFVSA-N 2 0 342.487 2.145 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2C)C1 ZINC001272609183 1190917248 /nfs/dbraw/zinc/91/72/48/1190917248.db2.gz WMRYYHSZTIDZLJ-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001483767989 1191001740 /nfs/dbraw/zinc/00/17/40/1191001740.db2.gz SWKAMLKYRGWAGQ-GUYCJALGSA-N 2 0 331.451 2.185 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483790417 1191031178 /nfs/dbraw/zinc/03/11/78/1191031178.db2.gz HFPIOVJRJCUNFO-QGZVFWFLSA-N 2 0 349.425 2.286 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)C1CCC1 ZINC001483934378 1191123484 /nfs/dbraw/zinc/12/34/84/1191123484.db2.gz PEJWOCQEOHNXCV-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001484057724 1191185598 /nfs/dbraw/zinc/18/55/98/1191185598.db2.gz LSZLQBPZIRKAOL-HXUWFJFHSA-N 2 0 340.471 2.267 10 0 EEAERP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484123546 1191223036 /nfs/dbraw/zinc/22/30/36/1191223036.db2.gz BGSRRHIHCDXCGQ-CTEOGUNLSA-N 2 0 327.900 2.443 10 0 EEAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001484185738 1191264092 /nfs/dbraw/zinc/26/40/92/1191264092.db2.gz VXKCCZOVFIXZGV-VGOKWCNXSA-N 2 0 337.508 2.082 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484395443 1191329851 /nfs/dbraw/zinc/32/98/51/1191329851.db2.gz XISZANWIXOTQEA-KZNAEPCWSA-N 2 0 339.524 2.019 10 0 EEAERP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001484413322 1191339964 /nfs/dbraw/zinc/33/99/64/1191339964.db2.gz MAOPIYGENBQAHA-JDVOYXAPSA-N 2 0 331.504 2.219 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793704 1191348043 /nfs/dbraw/zinc/34/80/43/1191348043.db2.gz KJAUBPMAWPNNRC-LBPRGKRZSA-N 2 0 344.286 2.493 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)ccc2c[nH+]cn21 ZINC001484528058 1191399418 /nfs/dbraw/zinc/39/94/18/1191399418.db2.gz UNYLBEHPSDGDSS-OAHLLOKOSA-N 2 0 332.423 2.444 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484541801 1191406597 /nfs/dbraw/zinc/40/65/97/1191406597.db2.gz RHYQWWSDDKYXQY-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)CCO1 ZINC001484680526 1191465041 /nfs/dbraw/zinc/46/50/41/1191465041.db2.gz NNBQXDXBCUHDQZ-MRXNPFEDSA-N 2 0 344.459 2.430 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001484700083 1191472174 /nfs/dbraw/zinc/47/21/74/1191472174.db2.gz XDMDSEWWURGOCO-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001485191645 1191686556 /nfs/dbraw/zinc/68/65/56/1191686556.db2.gz SZVIHXCIDUOYKF-NEPJUHHUSA-N 2 0 338.521 2.085 10 0 EEAERP CN(CC(C)(C)C[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)CC[NH+](C)C ZINC001485258932 1191713970 /nfs/dbraw/zinc/71/39/70/1191713970.db2.gz HAMUXZIOQASQPI-AWEZNQCLSA-N 2 0 333.467 2.448 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCOC2CCC2)CC3)CC1 ZINC001486149158 1193699731 /nfs/dbraw/zinc/69/97/31/1193699731.db2.gz OIBJYANPIZRBBD-PXNSSMCTSA-N 2 0 349.519 2.011 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001486182146 1193718936 /nfs/dbraw/zinc/71/89/36/1193718936.db2.gz XLLHLSXQBADBFQ-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001486249867 1193777171 /nfs/dbraw/zinc/77/71/71/1193777171.db2.gz LEANKRNKTQELCF-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001486422849 1193936944 /nfs/dbraw/zinc/93/69/44/1193936944.db2.gz HRWPBUQCMTWUJN-HIFRSBDPSA-N 2 0 338.521 2.024 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001486422851 1193937232 /nfs/dbraw/zinc/93/72/32/1193937232.db2.gz HRWPBUQCMTWUJN-UKRRQHHQSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001486451710 1193967052 /nfs/dbraw/zinc/96/70/52/1193967052.db2.gz ASPQIVNVABYBAE-UONOGXRCSA-N 2 0 337.430 2.496 10 0 EEAERP C[C@@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)O1 ZINC001486512652 1194031550 /nfs/dbraw/zinc/03/15/50/1194031550.db2.gz IPOHYQHHIPDTQK-AEFFLSMTSA-N 2 0 349.519 2.177 10 0 EEAERP Cc1cc(C[N@H+]2CC=C(CNC(=O)Cc3cncn3C)CC2)cs1 ZINC001486519661 1194039884 /nfs/dbraw/zinc/03/98/84/1194039884.db2.gz WNGHPZBRPAHJHA-UHFFFAOYSA-N 2 0 344.484 2.281 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](Cc2ccccn2)CC1 ZINC001486521279 1194043277 /nfs/dbraw/zinc/04/32/77/1194043277.db2.gz USFPANNLTMQLID-IRXDYDNUSA-N 2 0 342.487 2.203 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272953982 1194197550 /nfs/dbraw/zinc/19/75/50/1194197550.db2.gz GSIDUCBCPKESPV-ZBFHGGJFSA-N 2 0 336.480 2.267 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272977670 1194286245 /nfs/dbraw/zinc/28/62/45/1194286245.db2.gz NMWWYGQQRFBZMO-DZKIICNBSA-N 2 0 348.491 2.267 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001273123462 1194407142 /nfs/dbraw/zinc/40/71/42/1194407142.db2.gz UUMZSJVXQVALAF-FUHWJXTLSA-N 2 0 347.503 2.330 10 0 EEAERP C[C@@]12CN(C(=O)C3=CC[C@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702054936 1195711389 /nfs/dbraw/zinc/71/13/89/1195711389.db2.gz DSPSGMWJXSHUPF-CMKODMSKSA-N 2 0 325.456 2.014 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)C[NH+]1CCCC1 ZINC001273184544 1197413224 /nfs/dbraw/zinc/41/32/24/1197413224.db2.gz RVNFQNCNWQTVIU-AWEZNQCLSA-N 2 0 346.500 2.377 10 0 EEAERP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001410029238 1197471783 /nfs/dbraw/zinc/47/17/83/1197471783.db2.gz NNAGAUSFCVYCKG-GOSISDBHSA-N 2 0 346.519 2.031 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001410406841 1197814399 /nfs/dbraw/zinc/81/43/99/1197814399.db2.gz JFQMQRDCXDTRCU-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001410406845 1197814556 /nfs/dbraw/zinc/81/45/56/1197814556.db2.gz JFQMQRDCXDTRCU-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872203468 1198083952 /nfs/dbraw/zinc/08/39/52/1198083952.db2.gz YLPBBICRGLRCDW-OGWHTMIXSA-N 2 0 334.504 2.255 10 0 EEAERP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872255923 1198113711 /nfs/dbraw/zinc/11/37/11/1198113711.db2.gz OLVIORKXAHCEBP-YUELXQCFSA-N 2 0 349.500 2.413 10 0 EEAERP C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018432 1200409554 /nfs/dbraw/zinc/40/95/54/1200409554.db2.gz QPDZDFHNASICEJ-QXAKKESOSA-N 2 0 331.504 2.063 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000870856321 1200913549 /nfs/dbraw/zinc/91/35/49/1200913549.db2.gz FWTHJHOFVFPNAU-UHFFFAOYSA-N 2 0 327.472 2.431 10 0 EEAERP CC1(C)[C@@H](O)CC[NH+]1Cc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000812868106 1200974186 /nfs/dbraw/zinc/97/41/86/1200974186.db2.gz HCJHGGUNOASKMC-ROUUACIJSA-N 2 0 332.488 2.377 10 0 EEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC000880021726 1201351557 /nfs/dbraw/zinc/35/15/57/1201351557.db2.gz GQGCDHBUYPUZDT-ZVDOUQERSA-N 2 0 341.499 2.357 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)ccn1 ZINC000866309700 1201489626 /nfs/dbraw/zinc/48/96/26/1201489626.db2.gz ANYRIHQRIZQVIJ-HKUYNNGSSA-N 2 0 333.476 2.459 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)ccn1 ZINC000866309702 1201490340 /nfs/dbraw/zinc/49/03/40/1201490340.db2.gz ANYRIHQRIZQVIJ-IEBWSBKVSA-N 2 0 333.476 2.459 10 0 EEAERP CCO[C@@H]1CN([C@H](CC)C(=O)N(C)c2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000866667497 1201575045 /nfs/dbraw/zinc/57/50/45/1201575045.db2.gz OEGNLTDWQJTUJB-KBAYOESNSA-N 2 0 333.476 2.032 10 0 EEAERP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702403 1201584184 /nfs/dbraw/zinc/58/41/84/1201584184.db2.gz BNPZWUNVODUWEB-MGPUTAFESA-N 2 0 347.503 2.397 10 0 EEAERP CCC[C@H](C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000883877435 1202163295 /nfs/dbraw/zinc/16/32/95/1202163295.db2.gz MJWFFIZKHAVHNI-GVDBMIGSSA-N 2 0 326.529 2.194 10 0 EEAERP Cn1ncc(CCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000886614177 1202534250 /nfs/dbraw/zinc/53/42/50/1202534250.db2.gz OXVNXSDVHDRIGY-IHPCNDPISA-N 2 0 339.487 2.390 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001274028034 1204333925 /nfs/dbraw/zinc/33/39/25/1204333925.db2.gz ZHXCJWXRZUJKJR-PYTPGESOSA-N 2 0 330.476 2.025 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001274088913 1204364796 /nfs/dbraw/zinc/36/47/96/1204364796.db2.gz LITKBWVNMDYWFL-ARJAWSKDSA-N 2 0 333.451 2.380 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H](C)C1 ZINC001274296681 1204988595 /nfs/dbraw/zinc/98/85/95/1204988595.db2.gz FMTFXCCYUKDKET-ZFWWWQNUSA-N 2 0 338.883 2.012 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001274318222 1204996128 /nfs/dbraw/zinc/99/61/28/1204996128.db2.gz MJFPNTYQJIGTQK-DDKKJVIOSA-N 2 0 345.462 2.417 10 0 EEAERP C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001274411955 1205025636 /nfs/dbraw/zinc/02/56/36/1205025636.db2.gz BUCRIMZYNDTWHE-LXXRFIIISA-N 2 0 330.476 2.108 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001274534754 1205070274 /nfs/dbraw/zinc/07/02/74/1205070274.db2.gz OGPPYODYOHRQDO-NUALSEBGSA-N 2 0 327.472 2.243 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001275246213 1205290446 /nfs/dbraw/zinc/29/04/46/1205290446.db2.gz DDOBTUHNMFXVAK-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001275251108 1205290935 /nfs/dbraw/zinc/29/09/35/1205290935.db2.gz OXPVGHGRLVBPJF-YCZKOUEWSA-N 2 0 330.476 2.286 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275472803 1205376310 /nfs/dbraw/zinc/37/63/10/1205376310.db2.gz XYUPLDMAPXQELG-QWHCGFSZSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1nc2c(o1)CCC[C@H]2NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924624492 1206005972 /nfs/dbraw/zinc/00/59/72/1206005972.db2.gz CDQGGQXQDSLQPV-MRXNPFEDSA-N 2 0 341.459 2.297 10 0 EEAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924657046 1206012466 /nfs/dbraw/zinc/01/24/66/1206012466.db2.gz FIBCUSQYIRSXOV-QUCCMNQESA-N 2 0 330.520 2.410 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CC3)C3CCOCC3)ccn2)CC1 ZINC000924692159 1206019472 /nfs/dbraw/zinc/01/94/72/1206019472.db2.gz ZYELZHAFZGXBGI-HXUWFJFHSA-N 2 0 344.503 2.128 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)n(C)n1 ZINC000924967544 1206056433 /nfs/dbraw/zinc/05/64/33/1206056433.db2.gz YLPYDZJYJXMTOX-QUCCMNQESA-N 2 0 347.551 2.057 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2NC(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925396699 1206106619 /nfs/dbraw/zinc/10/66/19/1206106619.db2.gz BRTJEDSFNAVNRQ-UXLLHSPISA-N 2 0 346.475 2.121 10 0 EEAERP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000925490539 1206119137 /nfs/dbraw/zinc/11/91/37/1206119137.db2.gz OETGENHUIHXKCR-INIZCTEOSA-N 2 0 339.443 2.040 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cn1 ZINC000925520963 1206122476 /nfs/dbraw/zinc/12/24/76/1206122476.db2.gz YXYPPFLGDDNUFN-YTQUADARSA-N 2 0 331.508 2.147 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925563610 1206128636 /nfs/dbraw/zinc/12/86/36/1206128636.db2.gz ONKOXLGDFCSURA-QYZOEREBSA-N 3 0 331.504 2.493 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCN2c3ccccc3OCC2=O)C1 ZINC000925577011 1206131076 /nfs/dbraw/zinc/13/10/76/1206131076.db2.gz ZNHDSKWNFZIQAP-GJZGRUSLSA-N 2 0 331.460 2.298 10 0 EEAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777200 1206153114 /nfs/dbraw/zinc/15/31/14/1206153114.db2.gz CDVGZCQGOJZLDW-KBPBESRZSA-N 2 0 325.403 2.262 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CSCCc3ccccc32)CC12CC[NH2+]CC2 ZINC000925853769 1206161381 /nfs/dbraw/zinc/16/13/81/1206161381.db2.gz REOWOOZASWEUEW-RDJZCZTQSA-N 2 0 346.496 2.292 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)c(F)c(F)c1 ZINC000925857433 1206162198 /nfs/dbraw/zinc/16/21/98/1206162198.db2.gz VHAPJVTXPVOHLJ-PWSUYJOCSA-N 2 0 342.361 2.440 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000925877197 1206163150 /nfs/dbraw/zinc/16/31/50/1206163150.db2.gz NYFVYLHEFKFBHY-BRWVUGGUSA-N 2 0 334.460 2.259 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1OC ZINC000925877199 1206163220 /nfs/dbraw/zinc/16/32/20/1206163220.db2.gz NYFVYLHEFKFBHY-IXDOHACOSA-N 2 0 334.460 2.259 10 0 EEAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000926186193 1206202284 /nfs/dbraw/zinc/20/22/84/1206202284.db2.gz MFRYSTRKWYWTRJ-YLFCFFPRSA-N 2 0 346.500 2.203 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000927772824 1206301248 /nfs/dbraw/zinc/30/12/48/1206301248.db2.gz AEDXWQRDMJPEGU-KURKYZTESA-N 2 0 333.451 2.342 10 0 EEAERP C[C@]12CN(CCN3CCOC3=O)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215195 1206616716 /nfs/dbraw/zinc/61/67/16/1206616716.db2.gz VCFDQNYGSVIVCL-WOJBJXKFSA-N 2 0 343.471 2.283 10 0 EEAERP CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cc(-c3ccco3)on2)C1 ZINC000779644894 1210692467 /nfs/dbraw/zinc/69/24/67/1210692467.db2.gz DETOHPRDWCRDDU-OAHLLOKOSA-N 2 0 334.376 2.042 10 0 EEAERP OC1(CC[NH2+]CC[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717939802 1211638669 /nfs/dbraw/zinc/63/86/69/1211638669.db2.gz UECBOZRNJIPZRZ-LJQANCHMSA-N 2 0 332.488 2.420 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087130 1234033890 /nfs/dbraw/zinc/03/38/90/1234033890.db2.gz UQRPQHKRPFPXCY-MSOLQXFVSA-N 2 0 345.487 2.097 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901360966 1235604966 /nfs/dbraw/zinc/60/49/66/1235604966.db2.gz MKSOAOQTXZTLRW-FUHWJXTLSA-N 2 0 327.472 2.109 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000902904185 1239001645 /nfs/dbraw/zinc/00/16/45/1239001645.db2.gz JZGCCMPWNUFLOP-IAGOWNOFSA-N 2 0 348.516 2.450 10 0 EEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903088708 1239702765 /nfs/dbraw/zinc/70/27/65/1239702765.db2.gz LZHVDRYBVRKJSN-VAMGGRTRSA-N 2 0 330.472 2.089 10 0 EEAERP CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427099 1240445146 /nfs/dbraw/zinc/44/51/46/1240445146.db2.gz SIGBHEIEUJKFQR-CABCVRRESA-N 2 0 332.448 2.033 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000903433079 1240459250 /nfs/dbraw/zinc/45/92/50/1240459250.db2.gz TUQKEUPZRFJKRD-VNHYZAJKSA-N 2 0 346.393 2.232 10 0 EEAERP ClC1(Cl)C[C@H]1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506942 1240720934 /nfs/dbraw/zinc/72/09/34/1240720934.db2.gz GLQVCIKUHIGQGI-YUELXQCFSA-N 2 0 332.319 2.471 10 0 EEAERP c1cc2c(cc1[C@H]([NH2+]C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C1CC1)OCCO2 ZINC000903757635 1241853831 /nfs/dbraw/zinc/85/38/31/1241853831.db2.gz FKTBXBMBVISCOB-PWIZWCRZSA-N 2 0 344.455 2.267 10 0 EEAERP C[N@@H+](Cc1ccccc1N1CCOCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903876130 1242276330 /nfs/dbraw/zinc/27/63/30/1242276330.db2.gz DGDDOXUZOQJGFF-JLYLLQBASA-N 2 0 329.488 2.486 10 0 EEAERP COc1ccccc1CC(C)(C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897840 1242388117 /nfs/dbraw/zinc/38/81/17/1242388117.db2.gz HMBOCJNPOIBNMP-MRXNPFEDSA-N 2 0 344.503 2.465 10 0 EEAERP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903958432 1242727059 /nfs/dbraw/zinc/72/70/59/1242727059.db2.gz ZZLOQUAQDJZGEZ-NWDGAFQWSA-N 2 0 329.366 2.377 10 0 EEAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903958431 1242727315 /nfs/dbraw/zinc/72/73/15/1242727315.db2.gz ZZLOQUAQDJZGEZ-NEPJUHHUSA-N 2 0 329.366 2.377 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001276386427 1255462500 /nfs/dbraw/zinc/46/25/00/1255462500.db2.gz AOCPEMPAKLYQHS-HNNXBMFYSA-N 2 0 331.451 2.346 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001491025679 1258584543 /nfs/dbraw/zinc/58/45/43/1258584543.db2.gz LTEFWHHLSBVTET-CALCHBBNSA-N 2 0 333.451 2.377 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001491064249 1258633491 /nfs/dbraw/zinc/63/34/91/1258633491.db2.gz VXJUKTNHRUHQGX-XMTFNYHQSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001491159403 1258736198 /nfs/dbraw/zinc/73/61/98/1258736198.db2.gz YVXHLPTUXRBLEP-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2cnc(C)o2)C1 ZINC001491296264 1258913309 /nfs/dbraw/zinc/91/33/09/1258913309.db2.gz MWAOKXJSRRJNAE-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1Cl)[NH+](C)C ZINC001491493872 1259144538 /nfs/dbraw/zinc/14/45/38/1259144538.db2.gz AJVSUKOVUXRRSH-CZUORRHYSA-N 2 0 325.884 2.317 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nsc2ccccc12)[NH+](C)C ZINC001491495668 1259145139 /nfs/dbraw/zinc/14/51/39/1259145139.db2.gz OZTKSDDZRVSYOG-SWLSCSKDSA-N 2 0 334.489 2.231 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001494923800 1286685024 /nfs/dbraw/zinc/68/50/24/1286685024.db2.gz ICOXIYLRTHYODP-HNNXBMFYSA-N 2 0 331.451 2.295 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CCCOCC)C2)C1 ZINC001273848356 1286754544 /nfs/dbraw/zinc/75/45/44/1286754544.db2.gz INAUSUWTNSDWLR-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc2ccccc2o1 ZINC001273910077 1289775954 /nfs/dbraw/zinc/77/59/54/1289775954.db2.gz MGUFYVDKCFKFIB-VGOKWCNXSA-N 2 0 327.428 2.289 10 0 EEAERP COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001488960547 1290281076 /nfs/dbraw/zinc/28/10/76/1290281076.db2.gz IQRVOAZHGNBXFR-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001489240087 1290489481 /nfs/dbraw/zinc/48/94/81/1290489481.db2.gz YVPIHCGUHPOHJM-LJQANCHMSA-N 2 0 349.494 2.491 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1cnccc1C ZINC001490281046 1291109475 /nfs/dbraw/zinc/10/94/75/1291109475.db2.gz DXMBGDMERXKTAN-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCN(CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1cc(C)on1 ZINC001490348727 1291169409 /nfs/dbraw/zinc/16/94/09/1291169409.db2.gz HABHTBDCLYNXSJ-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000851796538 1291839915 /nfs/dbraw/zinc/83/99/15/1291839915.db2.gz HCZHSWMZCBQBLC-ILXRZTDVSA-N 2 0 336.413 2.376 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852040890 1291967072 /nfs/dbraw/zinc/96/70/72/1291967072.db2.gz PGNVYILZWLGBMV-IXXDHKBRSA-N 2 0 334.397 2.128 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760373 1292189702 /nfs/dbraw/zinc/18/97/02/1292189702.db2.gz DPBTXKOIYIUVSH-IRXDYDNUSA-N 2 0 326.868 2.416 10 0 EEAERP CN(C(=O)C1([NH3+])CC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865476 1292219058 /nfs/dbraw/zinc/21/90/58/1292219058.db2.gz DNBJKZWKZWHTID-UHFFFAOYSA-N 2 0 331.460 2.251 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCn3ccnc3)C2)ccn1 ZINC000856585970 1293570920 /nfs/dbraw/zinc/57/09/20/1293570920.db2.gz NZORLYGLTBMPIU-LJQANCHMSA-N 2 0 343.475 2.273 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281061 1294070339 /nfs/dbraw/zinc/07/03/39/1294070339.db2.gz CKWRQELYAJGUDN-HUUCEWRRSA-N 2 0 341.496 2.085 10 0 EEAERP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC000863650321 1296365366 /nfs/dbraw/zinc/36/53/66/1296365366.db2.gz QICQVQDLBGZEJU-UHFFFAOYSA-N 2 0 336.867 2.348 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001277074253 1301161219 /nfs/dbraw/zinc/16/12/19/1301161219.db2.gz BKIHFZYIWNTWAA-RBSFLKMASA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ncc(C[NH2+]CCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)o1 ZINC001277314458 1302323040 /nfs/dbraw/zinc/32/30/40/1302323040.db2.gz QJTKKSDKXJGEMB-CQSZACIVSA-N 2 0 336.480 2.089 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001491556694 1303406018 /nfs/dbraw/zinc/40/60/18/1303406018.db2.gz BGZAYECLUBAHDC-IRXDYDNUSA-N 2 0 349.523 2.180 10 0 EEAERP CC(C)OCC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001281530160 1303956181 /nfs/dbraw/zinc/95/61/81/1303956181.db2.gz GDMIIEUSXUXONB-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(CCn1ccnc1)N1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001277909301 1305054664 /nfs/dbraw/zinc/05/46/64/1305054664.db2.gz JUABDYLZQJCHIJ-IBGZPJMESA-N 2 0 340.471 2.487 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001277942216 1305212706 /nfs/dbraw/zinc/21/27/06/1305212706.db2.gz WDJVEGRREROEKT-QWHCGFSZSA-N 2 0 334.291 2.228 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCOc2ccccc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001278262195 1308928694 /nfs/dbraw/zinc/92/86/94/1308928694.db2.gz BRIBTPHWHJHLBF-APWZRJJASA-N 2 0 345.487 2.129 10 0 EEAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001278526320 1317143332 /nfs/dbraw/zinc/14/33/32/1317143332.db2.gz ICIGXDQLNAFHQW-SJLPKXTDSA-N 2 0 337.508 2.033 10 0 EEAERP COCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001278572363 1317260485 /nfs/dbraw/zinc/26/04/85/1317260485.db2.gz QCBRJEHLEPJYEX-CVEARBPZSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C[NH2+]CCCF ZINC001279102746 1319272228 /nfs/dbraw/zinc/27/22/28/1319272228.db2.gz JDFDNSLUKNEIPQ-ZFWWWQNUSA-N 2 0 341.496 2.467 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001264121059 1322633398 /nfs/dbraw/zinc/63/33/98/1322633398.db2.gz WWZZLTBWPMQRFZ-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001264125167 1322634979 /nfs/dbraw/zinc/63/49/79/1322634979.db2.gz DAKZAWLPCLJBLO-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)c1cccc(C[N@H+](C)CCCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001265058000 1322896828 /nfs/dbraw/zinc/89/68/28/1322896828.db2.gz DNVVKGBFULTHCV-UHFFFAOYSA-N 2 0 344.503 2.239 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001265310880 1323061857 /nfs/dbraw/zinc/06/18/57/1323061857.db2.gz WOLGXBSHZKMQTH-QGZVFWFLSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCF)CC2)CC1 ZINC001265742177 1323359616 /nfs/dbraw/zinc/35/96/16/1323359616.db2.gz XFUFFSMMDOSBDR-UHFFFAOYSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cncs1 ZINC001265880543 1323451726 /nfs/dbraw/zinc/45/17/26/1323451726.db2.gz LOBNTOHZBWQMNP-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001265909756 1323478282 /nfs/dbraw/zinc/47/82/82/1323478282.db2.gz DQWVESHUUYCCCC-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001265953627 1323516179 /nfs/dbraw/zinc/51/61/79/1323516179.db2.gz CSWWZFIIWVMUJK-GOSISDBHSA-N 2 0 343.515 2.455 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[N@H+](C)CCC(F)(F)F)C1 ZINC001265954392 1323517059 /nfs/dbraw/zinc/51/70/59/1323517059.db2.gz POUPUMNZPFLWKZ-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001266083855 1323641787 /nfs/dbraw/zinc/64/17/87/1323641787.db2.gz PZHZEJVJIZSAMM-VQIMIIECSA-N 2 0 331.504 2.431 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2scnc2C)C1)[NH+](C)C ZINC001280093587 1324081483 /nfs/dbraw/zinc/08/14/83/1324081483.db2.gz BLSRNHBUFFMKMY-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP CCC1([NH2+]CCCOC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281004703 1324710463 /nfs/dbraw/zinc/71/04/63/1324710463.db2.gz VEJGZJBANRTFQK-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)c1 ZINC001276622948 1324842453 /nfs/dbraw/zinc/84/24/53/1324842453.db2.gz BXWXEJVWOXAXEI-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001281529896 1325231569 /nfs/dbraw/zinc/23/15/69/1325231569.db2.gz DCMZGWXZLIDYDN-TUYSUELWSA-N 2 0 337.508 2.034 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001281553350 1325266511 /nfs/dbraw/zinc/26/65/11/1325266511.db2.gz PTNAVHZACCAHPA-DLBZAZTESA-N 2 0 341.540 2.216 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001282228524 1325656730 /nfs/dbraw/zinc/65/67/30/1325656730.db2.gz IXODZZFZMTXLFF-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001316624364 1325928310 /nfs/dbraw/zinc/92/83/10/1325928310.db2.gz MNRYOLYWEMUVCC-MELADBBJSA-N 2 0 348.318 2.151 10 0 EEAERP C[C@H](CCC[NH2+]CCC1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283191478 1325950508 /nfs/dbraw/zinc/95/05/08/1325950508.db2.gz ITZPUXCXQCQMKR-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP CCc1nocc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283223105 1325961186 /nfs/dbraw/zinc/96/11/86/1325961186.db2.gz XSTUDOIKCSJWGD-PBHICJAKSA-N 2 0 336.480 2.096 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611391 1326161703 /nfs/dbraw/zinc/16/17/03/1326161703.db2.gz BFLYCZMYICMDMI-KZNAEPCWSA-N 2 0 347.503 2.151 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001283704821 1326210611 /nfs/dbraw/zinc/21/06/11/1326210611.db2.gz PGHZDVGGYQXDRR-XJKSGUPXSA-N 2 0 340.899 2.258 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOc2ccc(C)cc2)C[C@H]1C ZINC001284019421 1326365176 /nfs/dbraw/zinc/36/51/76/1326365176.db2.gz YVVUUQWXUIQVDE-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOCc2ccccc2)C[C@H]1C ZINC001284035102 1326373552 /nfs/dbraw/zinc/37/35/52/1326373552.db2.gz ZJNFMFDUMNRZIM-IEBWSBKVSA-N 2 0 347.503 2.122 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001284094702 1326404081 /nfs/dbraw/zinc/40/40/81/1326404081.db2.gz ANUMIISXERATTE-OKZBNKHCSA-N 2 0 331.504 2.265 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001491636631 1330192407 /nfs/dbraw/zinc/19/24/07/1330192407.db2.gz FPCVKZOKKHNHBR-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP CC(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001491879546 1330286454 /nfs/dbraw/zinc/28/64/54/1330286454.db2.gz YXNQBCRPMJEFKC-IAGOWNOFSA-N 2 0 349.523 2.121 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@H](C)c2cnccn2)CC1 ZINC001316857117 1331551039 /nfs/dbraw/zinc/55/10/39/1331551039.db2.gz BBZDWTVSAPQTPH-MRXNPFEDSA-N 2 0 347.507 2.096 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001316756581 1331874964 /nfs/dbraw/zinc/87/49/64/1331874964.db2.gz GGHURDTZPJWOPJ-JQRVFGMCSA-N 2 0 333.520 2.465 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001316835241 1331922808 /nfs/dbraw/zinc/92/28/08/1331922808.db2.gz MOUSCJYUBCWJBS-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP CCN(CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1nc(C)oc1C ZINC001316896549 1331962762 /nfs/dbraw/zinc/96/27/62/1331962762.db2.gz VQRSVCOMOASSSU-KRWDZBQOSA-N 2 0 336.480 2.104 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccns1 ZINC001316910691 1331976532 /nfs/dbraw/zinc/97/65/32/1331976532.db2.gz GPISSOHZJJVPAF-HUUCEWRRSA-N 2 0 338.521 2.344 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1)[NH+](C)C ZINC001317028028 1332049643 /nfs/dbraw/zinc/04/96/43/1332049643.db2.gz APFYQSTUMLYOIE-HUUCEWRRSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317195064 1332125148 /nfs/dbraw/zinc/12/51/48/1332125148.db2.gz WVGHBNVNUCCQBO-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317584351 1332308721 /nfs/dbraw/zinc/30/87/21/1332308721.db2.gz DLMFASOQHYPCPO-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CC[NH2+]CC1CCCC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317625169 1332334094 /nfs/dbraw/zinc/33/40/94/1332334094.db2.gz BVFPPUNHNJRMAO-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317670870 1332362533 /nfs/dbraw/zinc/36/25/33/1332362533.db2.gz YCBRFZDLFUVOMM-STQMWFEESA-N 2 0 338.521 2.181 10 0 EEAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317950561 1332449825 /nfs/dbraw/zinc/44/98/25/1332449825.db2.gz YXQNBDBHCCPIQK-LAQIPUCWSA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOc1c(C)cccc1C ZINC001318601567 1332565988 /nfs/dbraw/zinc/56/59/88/1332565988.db2.gz ABRRXROJKVYZRX-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@H](C(=O)N1CCC2(C[NH+](CCCCCOC)C2)CC1)[NH+](C)C ZINC001319403115 1332695636 /nfs/dbraw/zinc/69/56/36/1332695636.db2.gz QUIDNPYNRKSIMI-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](C(=O)N1CCC2(C[NH+](CCCCCOC)C2)CC1)[NH+](C)C ZINC001319407949 1332697194 /nfs/dbraw/zinc/69/71/94/1332697194.db2.gz QUIDNPYNRKSIMI-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001320060452 1332817830 /nfs/dbraw/zinc/81/78/30/1332817830.db2.gz YEJMWOZAQLEGOZ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320416470 1332878814 /nfs/dbraw/zinc/87/88/14/1332878814.db2.gz VNXGEYZXMJWJCC-GOEBONIOSA-N 2 0 348.491 2.124 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)no1 ZINC001320475443 1332892320 /nfs/dbraw/zinc/89/23/20/1332892320.db2.gz YRECGZNEXUQKIK-GFCCVEGCSA-N 2 0 341.415 2.237 10 0 EEAERP CCN(CC[NH2+]C[C@@H](OC)c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320769339 1332949303 /nfs/dbraw/zinc/94/93/03/1332949303.db2.gz IKLRBRYLXBDVII-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cnccc1C ZINC001321083464 1333014990 /nfs/dbraw/zinc/01/49/90/1333014990.db2.gz KCOPBYONPMSTLU-SHCNBLLESA-N 2 0 330.476 2.026 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001321417275 1333099202 /nfs/dbraw/zinc/09/92/02/1333099202.db2.gz QCIORDDXNYXBRG-ARJAWSKDSA-N 2 0 336.505 2.090 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001322335942 1333249521 /nfs/dbraw/zinc/24/95/21/1333249521.db2.gz HGVQRNVGGLQBBB-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001322640651 1333299872 /nfs/dbraw/zinc/29/98/72/1333299872.db2.gz KMWGVHUXORCBGO-MRXNPFEDSA-N 2 0 347.507 2.159 10 0 EEAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001324249705 1333642641 /nfs/dbraw/zinc/64/26/41/1333642641.db2.gz ABVZGBQOSAYNDX-BDUNBXCCSA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001325690152 1333941336 /nfs/dbraw/zinc/94/13/36/1333941336.db2.gz RUFXEJNWZAHXIU-MSOLQXFVSA-N 2 0 335.467 2.447 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3C[NH+](CCCCCF)C[C@H]32)CC[N@@H+]1C ZINC001325941924 1334002401 /nfs/dbraw/zinc/00/24/01/1334002401.db2.gz BRBZNGNRFMZFHB-XMTFNYHQSA-N 2 0 339.499 2.389 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3ccsc3)C2)CC[N@@H+]1C ZINC001326273071 1334057339 /nfs/dbraw/zinc/05/73/39/1334057339.db2.gz QCXBGESPUBNGQA-BFYDXBDKSA-N 2 0 335.517 2.417 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327082392 1334217864 /nfs/dbraw/zinc/21/78/64/1334217864.db2.gz SEAVYCFTOYXETR-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068525 1334389042 /nfs/dbraw/zinc/38/90/42/1334389042.db2.gz RHNJBIKEGLGTOL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001330771283 1334899680 /nfs/dbraw/zinc/89/96/80/1334899680.db2.gz ZSLMCRJQUQNZLJ-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC001330770902 1334899929 /nfs/dbraw/zinc/89/99/29/1334899929.db2.gz XPOUTZXYFBABIW-LRDDRELGSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001330881770 1334920337 /nfs/dbraw/zinc/92/03/37/1334920337.db2.gz CZTULDHQUINWKQ-OAHLLOKOSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cscn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330946072 1334932383 /nfs/dbraw/zinc/93/23/83/1334932383.db2.gz KVQJBRLVVBJQTO-OAHLLOKOSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001330961887 1334935613 /nfs/dbraw/zinc/93/56/13/1334935613.db2.gz NAZIHMQLEXLCTI-ZFWWWQNUSA-N 2 0 334.464 2.014 10 0 EEAERP Cc1ccc(CC[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001330976962 1334939584 /nfs/dbraw/zinc/93/95/84/1334939584.db2.gz MZEQIYQNQPHQKB-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOCC3CC3)C2)ccn1 ZINC001331002083 1334944666 /nfs/dbraw/zinc/94/46/66/1334944666.db2.gz IQQLSICIYWJPHO-IBGZPJMESA-N 2 0 333.476 2.413 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001331267271 1334987244 /nfs/dbraw/zinc/98/72/44/1334987244.db2.gz DYAAYSGDRXKLAU-RBUKOAKNSA-N 2 0 329.488 2.150 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001331996670 1335700234 /nfs/dbraw/zinc/70/02/34/1335700234.db2.gz NEJIYMBGYVHUPJ-IAGOWNOFSA-N 2 0 345.487 2.129 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332427033 1335822131 /nfs/dbraw/zinc/82/21/31/1335822131.db2.gz HSXCTOKCJWSHPY-JKSUJKDBSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H]1C[C@@H](C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC001333352263 1336017036 /nfs/dbraw/zinc/01/70/36/1336017036.db2.gz YYDKGLVWSWXNTJ-WMZOPIPTSA-N 2 0 349.519 2.034 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Cc1ccccc1 ZINC000849094616 1338837877 /nfs/dbraw/zinc/83/78/77/1338837877.db2.gz DKZWTWMLNQGBNZ-AEFFLSMTSA-N 2 0 332.492 2.185 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214684 1355901034 /nfs/dbraw/zinc/90/10/34/1355901034.db2.gz NGRHGNWFLLZXAI-HZPDHXFCSA-N 2 0 335.467 2.194 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214976 1355901042 /nfs/dbraw/zinc/90/10/42/1355901042.db2.gz SYHBMGKLJGUPOU-DLBZAZTESA-N 2 0 347.503 2.330 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001436321344 1342025240 /nfs/dbraw/zinc/02/52/40/1342025240.db2.gz KUAOLIAJBOWYAM-LPHOPBHVSA-N 2 0 329.488 2.370 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+](CCC2)C3)c(C)o1 ZINC001670138704 1356283717 /nfs/dbraw/zinc/28/37/17/1356283717.db2.gz MUJRNIWGFAKVJE-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502546244 1342208650 /nfs/dbraw/zinc/20/86/50/1342208650.db2.gz QEAINIVFOKGDHI-SJLPKXTDSA-N 2 0 339.499 2.391 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC001673923644 1356760615 /nfs/dbraw/zinc/76/06/15/1356760615.db2.gz MLFYLGXQZLZJEM-HIFRSBDPSA-N 2 0 331.451 2.200 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001560055976 1342506793 /nfs/dbraw/zinc/50/67/93/1342506793.db2.gz TXKFJQNDKGOCBB-JJEILDCCSA-N 2 0 344.455 2.135 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001566901907 1342648836 /nfs/dbraw/zinc/64/88/36/1342648836.db2.gz KLFJFHLDJYGBIS-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1nsc2ccccc12 ZINC001567585974 1342788742 /nfs/dbraw/zinc/78/87/42/1342788742.db2.gz ZTMRHQRUWJINPG-UHFFFAOYSA-N 2 0 334.489 2.186 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018448 1357090041 /nfs/dbraw/zinc/09/00/41/1357090041.db2.gz MQTLYTXDUVHUQW-SJORKVTESA-N 2 0 347.503 2.330 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001568786265 1342856005 /nfs/dbraw/zinc/85/60/05/1342856005.db2.gz SUKADUUXVBPBMV-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C2CCCC2)CC[N@@H+]1C ZINC001569603940 1342906256 /nfs/dbraw/zinc/90/62/56/1342906256.db2.gz IYPZNXGDEHDETR-YESZJQIVSA-N 2 0 327.488 2.341 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001570014094 1342999765 /nfs/dbraw/zinc/99/97/65/1342999765.db2.gz YLZPIGJIOGRCJZ-OZYJXZHSSA-N 2 0 346.302 2.229 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001570092762 1343011573 /nfs/dbraw/zinc/01/15/73/1343011573.db2.gz KXCCMRVJDGCAIM-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001570142603 1343015741 /nfs/dbraw/zinc/01/57/41/1343015741.db2.gz QJNZGWVMNOMSTH-MOPGFXCFSA-N 2 0 349.519 2.177 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001570547658 1343081127 /nfs/dbraw/zinc/08/11/27/1343081127.db2.gz GTWVMKNOZYFWHB-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571679430 1343270077 /nfs/dbraw/zinc/27/00/77/1343270077.db2.gz ZOVUWTZIGAVCEK-ZWKOTPCHSA-N 2 0 347.503 2.072 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC/C=C/c1ccccc1 ZINC001676481055 1357155984 /nfs/dbraw/zinc/15/59/84/1357155984.db2.gz OSZDCZZIDRDCDH-FVDXIBTGSA-N 2 0 329.488 2.478 10 0 EEAERP COCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001676768783 1357197312 /nfs/dbraw/zinc/19/73/12/1357197312.db2.gz WNSZGLBCBHTUOP-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001677048230 1357269574 /nfs/dbraw/zinc/26/95/74/1357269574.db2.gz NOKAIDDLPCYIBK-UONOGXRCSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001677272429 1357305322 /nfs/dbraw/zinc/30/53/22/1357305322.db2.gz RBTGYXUZIICVAV-CVEARBPZSA-N 2 0 341.540 2.142 10 0 EEAERP COCCC[N@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001677612983 1357373705 /nfs/dbraw/zinc/37/37/05/1357373705.db2.gz VULUYWUKZNBJMK-UHFFFAOYSA-N 2 0 345.487 2.147 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001645892458 1352807648 /nfs/dbraw/zinc/80/76/48/1352807648.db2.gz DUONNJCQJGDYOA-JKSUJKDBSA-N 2 0 332.448 2.033 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001646954053 1353070004 /nfs/dbraw/zinc/07/00/04/1353070004.db2.gz QWUUCNLTOJMJTB-XLAORIBOSA-N 2 0 336.524 2.136 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC001649358737 1353496046 /nfs/dbraw/zinc/49/60/46/1353496046.db2.gz UQTZQCAIBYIAPV-UFYCRDLUSA-N 2 0 341.499 2.355 10 0 EEAERP CCC/C=C\CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001649456158 1353515359 /nfs/dbraw/zinc/51/53/59/1353515359.db2.gz HAQVFNFAKBKTGG-TUYSUELWSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001649463350 1353519069 /nfs/dbraw/zinc/51/90/69/1353519069.db2.gz LBKJWPRSKCGYPA-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001649466923 1353521144 /nfs/dbraw/zinc/52/11/44/1353521144.db2.gz WROVBSDKCYZJDC-UHFFFAOYSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C[NH2+]CCCF)C1 ZINC001656592595 1354250708 /nfs/dbraw/zinc/25/07/08/1354250708.db2.gz WIVFDFYCQYQIJQ-RYRKJORJSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001656862962 1354286998 /nfs/dbraw/zinc/28/69/98/1354286998.db2.gz DIESZVSANSMNOK-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001662729004 1354833349 /nfs/dbraw/zinc/83/33/49/1354833349.db2.gz URJMFTBMEKHIEC-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CCCCOCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001662855684 1354865452 /nfs/dbraw/zinc/86/54/52/1354865452.db2.gz FMDOQZGPNNXRSO-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CN(CC[NH2+]CCc1ccns1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001664253366 1355123143 /nfs/dbraw/zinc/12/31/43/1355123143.db2.gz XNRYXPPLLBOODS-UHFFFAOYSA-N 2 0 346.500 2.109 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC001665687109 1355360432 /nfs/dbraw/zinc/36/04/32/1355360432.db2.gz WZFQNBRQYSANPX-GOSISDBHSA-N 2 0 347.503 2.328 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001665838989 1355397556 /nfs/dbraw/zinc/39/75/56/1355397556.db2.gz JIHXIOGEGCJIGS-OAHLLOKOSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001666223306 1355488820 /nfs/dbraw/zinc/48/88/20/1355488820.db2.gz HNBAEORQUCJPPM-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCF)CC1 ZINC001666249278 1355494595 /nfs/dbraw/zinc/49/45/95/1355494595.db2.gz JFHKXERXIOHTAH-DLBZAZTESA-N 2 0 325.472 2.191 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001666256611 1355497322 /nfs/dbraw/zinc/49/73/22/1355497322.db2.gz RRFIDTNULIZWQL-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667150776 1355657932 /nfs/dbraw/zinc/65/79/32/1355657932.db2.gz HRFQHSUPEOALAG-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCCF ZINC001667210465 1355674946 /nfs/dbraw/zinc/67/49/46/1355674946.db2.gz JFNUNMJTIMNCRE-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001667216331 1355676510 /nfs/dbraw/zinc/67/65/10/1355676510.db2.gz GJHYFWMPVZHIHO-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001667306316 1355704433 /nfs/dbraw/zinc/70/44/33/1355704433.db2.gz CLQDIKWHQZQFHP-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001667441331 1355742550 /nfs/dbraw/zinc/74/25/50/1355742550.db2.gz XMZQYYLZRPTGSN-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001667520241 1355753477 /nfs/dbraw/zinc/75/34/77/1355753477.db2.gz XMNOQJXGYYOAQF-MJGOQNOKSA-N 2 0 347.503 2.056 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173185 1355891161 /nfs/dbraw/zinc/89/11/61/1355891161.db2.gz CNAMFOQLJPVPJX-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001668234888 1355905553 /nfs/dbraw/zinc/90/55/53/1355905553.db2.gz SDEOUTQYEBDAQW-ZDUSSCGKSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310718 1355921475 /nfs/dbraw/zinc/92/14/75/1355921475.db2.gz YNYBSGXIJMUPEA-FUHWJXTLSA-N 2 0 347.503 2.410 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668641780 1355977956 /nfs/dbraw/zinc/97/79/56/1355977956.db2.gz UHZVSCWWFALNDZ-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001669137577 1356104665 /nfs/dbraw/zinc/10/46/65/1356104665.db2.gz CXHZJQPEXFNDRT-AATRIKPKSA-N 2 0 327.472 2.107 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)C1 ZINC001669140428 1356105340 /nfs/dbraw/zinc/10/53/40/1356105340.db2.gz ZHCZBKNWFWNTTL-JHZNUDOXSA-N 2 0 335.414 2.321 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001669146810 1356106828 /nfs/dbraw/zinc/10/68/28/1356106828.db2.gz XUAROZXGIBNIEA-OOFWQKGWSA-N 2 0 328.460 2.270 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001671720948 1356403293 /nfs/dbraw/zinc/40/32/93/1356403293.db2.gz WDPIDJWDUPIUQK-SWLSCSKDSA-N 2 0 334.291 2.228 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCc3cccs3)C2)CC1 ZINC001674579260 1356860416 /nfs/dbraw/zinc/86/04/16/1356860416.db2.gz VJIJIVJLIJCKOQ-UHFFFAOYSA-N 2 0 335.517 2.117 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674686282 1356876028 /nfs/dbraw/zinc/87/60/28/1356876028.db2.gz DLBWGQPPGXEXBA-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1 ZINC001698907456 1405148659 /nfs/dbraw/zinc/14/86/59/1405148659.db2.gz JTGFMRLFRPJQGU-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1C ZINC001699106282 1405260612 /nfs/dbraw/zinc/26/06/12/1405260612.db2.gz LPMLFSFJESXMCU-OAHLLOKOSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001699114916 1405269294 /nfs/dbraw/zinc/26/92/94/1405269294.db2.gz MCTYICHQWAUSQS-HUUCEWRRSA-N 2 0 336.480 2.267 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001699140753 1405290837 /nfs/dbraw/zinc/29/08/37/1405290837.db2.gz ORZUFLVIJYIPHR-WMLDXEAASA-N 2 0 336.480 2.230 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001699261533 1405303877 /nfs/dbraw/zinc/30/38/77/1405303877.db2.gz PMQLACOMSWKPLQ-ZESBSSJPSA-N 2 0 343.462 2.414 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001699702205 1405455465 /nfs/dbraw/zinc/45/54/65/1405455465.db2.gz SVGRCTWZVPEJCV-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ncccc2Br)C[C@H]1C[NH+](C)C ZINC000706002310 784886592 /nfs/dbraw/zinc/88/65/92/784886592.db2.gz PTRWEXCWQVESSY-CHWSQXEVSA-N 2 0 341.297 2.020 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+]CC3(O)CCCCC3)cc2)CC1 ZINC000818956402 785343239 /nfs/dbraw/zinc/34/32/39/785343239.db2.gz LBZQNPXECWXXOV-UHFFFAOYSA-N 2 0 331.504 2.219 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001136767524 787884064 /nfs/dbraw/zinc/88/40/64/787884064.db2.gz UDQDYIUVNODPCW-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3CCC2CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000923329105 789373317 /nfs/dbraw/zinc/37/33/17/789373317.db2.gz OWCZGKIJAUMCIM-NQEVIQBJSA-N 2 0 333.520 2.393 10 0 EEAERP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497654 789672466 /nfs/dbraw/zinc/67/24/66/789672466.db2.gz ICNXTCBKSSRPHB-RDJZCZTQSA-N 2 0 333.476 2.008 10 0 EEAERP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498447 789679211 /nfs/dbraw/zinc/67/92/11/789679211.db2.gz PPBGCCAPVJJFNM-PMPSAXMXSA-N 2 0 333.476 2.131 10 0 EEAERP CCN1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1=O ZINC000716713308 796444660 /nfs/dbraw/zinc/44/46/60/796444660.db2.gz OFISEJDXBQRJAG-VJANTYMQSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000921879790 797833259 /nfs/dbraw/zinc/83/32/59/797833259.db2.gz XQZWTPZBBAPNTJ-LSJNQWAISA-N 2 0 334.508 2.343 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000922063400 798798118 /nfs/dbraw/zinc/79/81/18/798798118.db2.gz IHSCLJWIASMVKI-LZQZEXGQSA-N 2 0 344.503 2.289 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)CC[NH+](C)C)sc1Br ZINC000922273342 800188163 /nfs/dbraw/zinc/18/81/63/800188163.db2.gz FXHYEJFGCYEAJV-UHFFFAOYSA-N 2 0 349.342 2.187 10 0 EEAERP CN(CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)CC[NH+](C)C ZINC000922273998 800191664 /nfs/dbraw/zinc/19/16/64/800191664.db2.gz QBNMKDQFZGXEIG-OALUTQOASA-N 2 0 325.541 2.445 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000922814379 801963641 /nfs/dbraw/zinc/96/36/41/801963641.db2.gz SFVNDMFFVVGWMY-LJQANCHMSA-N 2 0 348.487 2.445 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1CC[NH2+]CCF ZINC001565943027 1125469169 /nfs/dbraw/zinc/46/91/69/1125469169.db2.gz KIYDQLHFPDWUTR-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C)c1ncc(C)o1 ZINC001566572299 1125750942 /nfs/dbraw/zinc/75/09/42/1125750942.db2.gz PGMFVYLKEPCLRI-JKSUJKDBSA-N 2 0 336.480 2.214 10 0 EEAERP Cc1oncc1C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001566592028 1125782265 /nfs/dbraw/zinc/78/22/65/1125782265.db2.gz KQHCPQGTTYOIIN-UHFFFAOYSA-N 2 0 346.475 2.082 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001436473217 1087937982 /nfs/dbraw/zinc/93/79/82/1087937982.db2.gz UNJLNAVBZNDEEM-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436668952 1088107211 /nfs/dbraw/zinc/10/72/11/1088107211.db2.gz ODZDQXZBOXMBFH-PBHICJAKSA-N 2 0 336.480 2.048 10 0 EEAERP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1)OC ZINC001436731765 1088205647 /nfs/dbraw/zinc/20/56/47/1088205647.db2.gz OXCHDOSXPCYMLO-RDJZCZTQSA-N 2 0 339.524 2.255 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC001436799080 1088371583 /nfs/dbraw/zinc/37/15/83/1088371583.db2.gz OLLFHXBUDXQZJY-MSOLQXFVSA-N 2 0 333.451 2.294 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C2CC2)o1 ZINC001436823453 1088420948 /nfs/dbraw/zinc/42/09/48/1088420948.db2.gz JUKGJAFNLAREDM-SFHVURJKSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ncc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001436842753 1088480239 /nfs/dbraw/zinc/48/02/39/1088480239.db2.gz OKNPTSVZLMIPQP-HNNXBMFYSA-N 2 0 338.521 2.074 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1c(F)cccc1F ZINC001436963592 1088654064 /nfs/dbraw/zinc/65/40/64/1088654064.db2.gz HWNCYPHRCNPELJ-UPJWGTAASA-N 2 0 325.403 2.214 10 0 EEAERP O=C(CCCn1ccnc1)N1CCCC[C@H]1C[NH2+]Cc1cncs1 ZINC001437054965 1088949721 /nfs/dbraw/zinc/94/97/21/1088949721.db2.gz BSOSDFMPMQIAPY-HNNXBMFYSA-N 2 0 347.488 2.291 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2cncs2)C1 ZINC001437067098 1088991442 /nfs/dbraw/zinc/99/14/42/1088991442.db2.gz QQBVWEIHZQZPGA-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437132228 1089121199 /nfs/dbraw/zinc/12/11/99/1089121199.db2.gz QERVCBYRKYQRGU-KBXCAEBGSA-N 2 0 333.451 2.070 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001437336897 1089524963 /nfs/dbraw/zinc/52/49/63/1089524963.db2.gz MPKOLOSBBSMKDL-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001437353095 1089569297 /nfs/dbraw/zinc/56/92/97/1089569297.db2.gz UGQFUKSMJWPJSP-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CO[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1)C1CCC1 ZINC001437358312 1089586690 /nfs/dbraw/zinc/58/66/90/1089586690.db2.gz OSIWTRCROHAGSN-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1csc(C)n1 ZINC001437379810 1089625305 /nfs/dbraw/zinc/62/53/05/1089625305.db2.gz HWJUCKKMDFEZMD-BBRMVZONSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001437423079 1089709401 /nfs/dbraw/zinc/70/94/01/1089709401.db2.gz PRTPKXQVASHDIL-MAUKXSAKSA-N 2 0 340.471 2.171 10 0 EEAERP CO[C@H](C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC001437506782 1089899777 /nfs/dbraw/zinc/89/97/77/1089899777.db2.gz JDWNCDOWZLPARG-YTQUADARSA-N 2 0 347.503 2.152 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001437671353 1090198105 /nfs/dbraw/zinc/19/81/05/1090198105.db2.gz JUFCWBRZCIVSGV-GJZGRUSLSA-N 2 0 343.462 2.344 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCF)C1)[NH+]1CCCCC1 ZINC001437994342 1090593185 /nfs/dbraw/zinc/59/31/85/1090593185.db2.gz WHDYCOWZEICZGK-IRXDYDNUSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001438313279 1090792351 /nfs/dbraw/zinc/79/23/51/1090792351.db2.gz QMNPSGFJYAGOHI-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)nc1 ZINC001438335842 1090810481 /nfs/dbraw/zinc/81/04/81/1090810481.db2.gz ACUBYGADLLZCLG-YJBOKZPZSA-N 2 0 347.507 2.034 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438366914 1090842702 /nfs/dbraw/zinc/84/27/02/1090842702.db2.gz LRRSEPMGEXUYIW-RTBURBONSA-N 2 0 331.504 2.228 10 0 EEAERP CN(C)c1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001438440639 1090942336 /nfs/dbraw/zinc/94/23/36/1090942336.db2.gz IXQVDHXNFWZOOR-IYARVYRRSA-N 2 0 346.519 2.221 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1coc(C2CC2)n1 ZINC001438478491 1090982909 /nfs/dbraw/zinc/98/29/09/1090982909.db2.gz FTMUIGTXBQBNPK-YOEHRIQHSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cc(Cl)ccc1F ZINC001438544544 1091036497 /nfs/dbraw/zinc/03/64/97/1091036497.db2.gz LEVYEDQAWWZUTP-ZDUSSCGKSA-N 2 0 341.858 2.417 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438648176 1091131857 /nfs/dbraw/zinc/13/18/57/1091131857.db2.gz FWIFENNQRJIIQW-KGLIPLIRSA-N 2 0 331.451 2.343 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001438659913 1091148786 /nfs/dbraw/zinc/14/87/86/1091148786.db2.gz GUVFWALIQVMUJV-WMZOPIPTSA-N 2 0 347.503 2.424 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001445559706 1091334349 /nfs/dbraw/zinc/33/43/49/1091334349.db2.gz YZYVFAGOMISNAQ-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001445571026 1091351399 /nfs/dbraw/zinc/35/13/99/1091351399.db2.gz LEXPRUMNDKBSPH-LPHOPBHVSA-N 2 0 347.503 2.410 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccn1)C(C)C ZINC001438795890 1091401368 /nfs/dbraw/zinc/40/13/68/1091401368.db2.gz DJZBIVSGJDDIML-ROUUACIJSA-N 2 0 332.492 2.186 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)no1)[NH+](C)C ZINC001445650993 1091439220 /nfs/dbraw/zinc/43/92/20/1091439220.db2.gz XNLHRBWCYUCBKO-KBXCAEBGSA-N 2 0 344.459 2.276 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001438962460 1091656008 /nfs/dbraw/zinc/65/60/08/1091656008.db2.gz MUSXXLVFGPBNIM-DGCLKSJQSA-N 2 0 344.912 2.123 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)cc1 ZINC001439114560 1091759964 /nfs/dbraw/zinc/75/99/64/1091759964.db2.gz LHLXLPYBTAMLGK-CRAIPNDOSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445988236 1091956943 /nfs/dbraw/zinc/95/69/43/1091956943.db2.gz GWRNVGBMGIBSMM-KXBFYZLASA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cnccc1C ZINC001446008022 1091988080 /nfs/dbraw/zinc/98/80/80/1091988080.db2.gz HYSPPGFSOWKUPF-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCc1ccccc1)[NH+]1CCCC1 ZINC001439550905 1092423761 /nfs/dbraw/zinc/42/37/61/1092423761.db2.gz PDCCNFDABAMUEQ-SFHVURJKSA-N 2 0 329.488 2.294 10 0 EEAERP Cc1nc(CNC2(CNC(=O)CCCn3ccnc3C)CC2)c(C)o1 ZINC001439656053 1092585303 /nfs/dbraw/zinc/58/53/03/1092585303.db2.gz URITXHJJPKTBHL-UHFFFAOYSA-N 2 0 345.447 2.015 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439864244 1092895505 /nfs/dbraw/zinc/89/55/05/1092895505.db2.gz GQVGTKUTAIJLHE-MAUKXSAKSA-N 2 0 335.517 2.479 10 0 EEAERP Cc1cncc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001439882173 1092932005 /nfs/dbraw/zinc/93/20/05/1092932005.db2.gz DIEJFNYGMYNROV-QUCCMNQESA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001440116629 1093177253 /nfs/dbraw/zinc/17/72/53/1093177253.db2.gz FYCBJYVNCOVNQO-SJLPKXTDSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001440269017 1093380267 /nfs/dbraw/zinc/38/02/67/1093380267.db2.gz VFDKMJWLUIELSL-OALUTQOASA-N 2 0 329.488 2.370 10 0 EEAERP CCc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)cs1 ZINC001440322483 1093462417 /nfs/dbraw/zinc/46/24/17/1093462417.db2.gz VSEIXMIZPKKSTL-OKILXGFUSA-N 2 0 338.521 2.030 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3csc(C)c3)C[C@H]21 ZINC001448454394 1093463794 /nfs/dbraw/zinc/46/37/94/1093463794.db2.gz FLXMPLIUZNZGTN-OSYLJGHBSA-N 2 0 335.517 2.192 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C\Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001448494394 1093520768 /nfs/dbraw/zinc/52/07/68/1093520768.db2.gz IRTATZYEOHVBHT-LGZWTGRHSA-N 2 0 346.302 2.132 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+]1CCCC1 ZINC001440361659 1093525715 /nfs/dbraw/zinc/52/57/15/1093525715.db2.gz IOZNJAJYGRNIJE-QBPKDAKJSA-N 2 0 327.488 2.339 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001440419301 1093614266 /nfs/dbraw/zinc/61/42/66/1093614266.db2.gz GRYOWVOOURTLQE-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C ZINC001440482059 1093714234 /nfs/dbraw/zinc/71/42/34/1093714234.db2.gz NCKWWIFLYSECHD-QGZVFWFLSA-N 2 0 341.540 2.171 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001448721913 1093793402 /nfs/dbraw/zinc/79/34/02/1093793402.db2.gz CEUOSMPKIRQRQR-IRXDYDNUSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448775726 1093854258 /nfs/dbraw/zinc/85/42/58/1093854258.db2.gz RWNZOBCVYLVHEX-AWEZNQCLSA-N 2 0 348.491 2.139 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001448975478 1093979349 /nfs/dbraw/zinc/97/93/49/1093979349.db2.gz FKGRBNJCYOEFIX-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)[C@@H]1C ZINC001448981495 1093984549 /nfs/dbraw/zinc/98/45/49/1093984549.db2.gz WKMFEDCLLLSYCS-WCQYABFASA-N 2 0 344.912 2.216 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(F)cccc2F)[C@H]1C ZINC001448982299 1093985724 /nfs/dbraw/zinc/98/57/24/1093985724.db2.gz XZTZFVPVZIKMED-CXAGYDPISA-N 2 0 339.430 2.384 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001440845399 1094103483 /nfs/dbraw/zinc/10/34/83/1094103483.db2.gz YDMHZRSGTKVFKT-STQMWFEESA-N 2 0 338.496 2.252 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001449355659 1094318472 /nfs/dbraw/zinc/31/84/72/1094318472.db2.gz ZMFUYFBXCRZEIJ-RJOXODDCSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1cccnc1C[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001449374371 1094343982 /nfs/dbraw/zinc/34/39/82/1094343982.db2.gz RCWNKTZSGHGRBG-KRWDZBQOSA-N 2 0 346.519 2.449 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2)C1 ZINC001441146560 1094485317 /nfs/dbraw/zinc/48/53/17/1094485317.db2.gz JEGUAGHZYKTSEE-YJBOKZPZSA-N 2 0 335.467 2.303 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248330 1094641355 /nfs/dbraw/zinc/64/13/55/1094641355.db2.gz ANBSHOQQNTTXGT-WOJBJXKFSA-N 2 0 343.515 2.228 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001441300716 1094746566 /nfs/dbraw/zinc/74/65/66/1094746566.db2.gz HKUGGTUMYIRQES-OKYOBFRVSA-N 2 0 347.478 2.161 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCCF)C[C@@H]2C1 ZINC001441345056 1094852439 /nfs/dbraw/zinc/85/24/39/1094852439.db2.gz ZDTKVGSIBHTJQL-IXDOHACOSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2F)C1)[NH+](C)C ZINC001441379642 1094917790 /nfs/dbraw/zinc/91/77/90/1094917790.db2.gz PFSSSCGCQWIJNH-NOLJZWGESA-N 2 0 339.430 2.289 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1F ZINC001441419119 1095006014 /nfs/dbraw/zinc/00/60/14/1095006014.db2.gz PBXYRZILVUXGFP-PKOBYXMFSA-N 2 0 349.494 2.440 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)CC1 ZINC001441507320 1095193847 /nfs/dbraw/zinc/19/38/47/1095193847.db2.gz RXMBQBNDAQEUKU-CALCHBBNSA-N 2 0 333.451 2.235 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccnc2)C1 ZINC001441566969 1095326000 /nfs/dbraw/zinc/32/60/00/1095326000.db2.gz LMLVYZPTMQOAAD-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccccc1)[NH+](C)C ZINC001441658510 1095624619 /nfs/dbraw/zinc/62/46/19/1095624619.db2.gz KYUUGKPAVFCKNN-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001441857350 1095953871 /nfs/dbraw/zinc/95/38/71/1095953871.db2.gz HAIFXUJJGWCEFV-ZIFCJYIRSA-N 2 0 337.508 2.009 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001441871119 1095985736 /nfs/dbraw/zinc/98/57/36/1095985736.db2.gz LWSFYODPHADXHR-BIYXSLEMSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001441927109 1096110722 /nfs/dbraw/zinc/11/07/22/1096110722.db2.gz NNBFJGYEYCSBSU-OSZGCLPASA-N 2 0 327.900 2.438 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001442113790 1096343948 /nfs/dbraw/zinc/34/39/48/1096343948.db2.gz LXPWKRHEYQCRJZ-CQSZACIVSA-N 2 0 346.500 2.421 10 0 EEAERP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001442222210 1096518341 /nfs/dbraw/zinc/51/83/41/1096518341.db2.gz UMIHUGITFFFHQD-GOEBONIOSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cccc(CCC[N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001442802696 1097183701 /nfs/dbraw/zinc/18/37/01/1097183701.db2.gz SMSMABSEIRNDSC-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442901135 1097303875 /nfs/dbraw/zinc/30/38/75/1097303875.db2.gz CXUYPSSKYNOCAR-INIZCTEOSA-N 2 0 348.491 2.140 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1 ZINC001443133119 1097558702 /nfs/dbraw/zinc/55/87/02/1097558702.db2.gz REPWRMMRHNLVHG-ROUUACIJSA-N 2 0 347.503 2.200 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001443702473 1098208528 /nfs/dbraw/zinc/20/85/28/1098208528.db2.gz RGXZBQRGLMMETB-OAHLLOKOSA-N 2 0 337.439 2.390 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccc(Cl)cc1 ZINC001443894792 1098422105 /nfs/dbraw/zinc/42/21/05/1098422105.db2.gz GZXUXCJUBKCONY-SJORKVTESA-N 2 0 337.895 2.461 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCCO1 ZINC001443956877 1098476610 /nfs/dbraw/zinc/47/66/10/1098476610.db2.gz BBGQKHMKXZUKIV-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001443984187 1098501352 /nfs/dbraw/zinc/50/13/52/1098501352.db2.gz KCHPPTQLBDNQPS-OCCSQVGLSA-N 2 0 327.419 2.462 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ncccc1C ZINC001444047615 1098572596 /nfs/dbraw/zinc/57/25/96/1098572596.db2.gz WQKAQIQJONRLIS-SJLPKXTDSA-N 2 0 332.492 2.249 10 0 EEAERP CO[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001444209193 1098767737 /nfs/dbraw/zinc/76/77/37/1098767737.db2.gz LEUZGOFXAUKMJS-BXWFABGCSA-N 2 0 347.503 2.158 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOC(C)C)CC(C)(C)C1 ZINC001479748495 1098889968 /nfs/dbraw/zinc/88/99/68/1098889968.db2.gz WVHRQRMNJXABHP-KRWDZBQOSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC001479778219 1098963068 /nfs/dbraw/zinc/96/30/68/1098963068.db2.gz PTHXPOVXUUUCIN-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc2ccccc2o1 ZINC001444394622 1098989131 /nfs/dbraw/zinc/98/91/31/1098989131.db2.gz XZQLSRXPEJLNLK-HUUCEWRRSA-N 2 0 344.459 2.012 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1cccnc1C ZINC001479847733 1099142719 /nfs/dbraw/zinc/14/27/19/1099142719.db2.gz BIRXZVMYPIBZRC-UHFFFAOYSA-N 2 0 344.503 2.347 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccc(F)cn3)CCCC2)C1 ZINC001444534660 1099306240 /nfs/dbraw/zinc/30/62/40/1099306240.db2.gz MPXLOWWJBHVQMY-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001479914722 1099318992 /nfs/dbraw/zinc/31/89/92/1099318992.db2.gz PTZDEYWXTNENTK-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1ccccc1C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480063045 1099590553 /nfs/dbraw/zinc/59/05/53/1099590553.db2.gz YJBRFVPWDXZCSE-OALUTQOASA-N 2 0 329.488 2.185 10 0 EEAERP CCc1ccccc1C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480063047 1099590992 /nfs/dbraw/zinc/59/09/92/1099590992.db2.gz YJBRFVPWDXZCSE-RBUKOAKNSA-N 2 0 329.488 2.185 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480145742 1099712984 /nfs/dbraw/zinc/71/29/84/1099712984.db2.gz VBTSYMZMXYLWAO-WKILWMFISA-N 2 0 339.524 2.301 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]2C[N@H+](CCF)CC[C@H]21 ZINC001480190109 1099789994 /nfs/dbraw/zinc/78/99/94/1099789994.db2.gz WSQYCYDSDJWLIP-DLBZAZTESA-N 2 0 325.472 2.145 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)o1 ZINC001480240152 1099874942 /nfs/dbraw/zinc/87/49/42/1099874942.db2.gz RHBFSFZDEGBBTI-SOLBZPMBSA-N 2 0 348.491 2.230 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001444883722 1099910087 /nfs/dbraw/zinc/91/00/87/1099910087.db2.gz GIWYZAGFPOWRKY-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC[C@H]2CCc3ccccc32)C1 ZINC001446371297 1100739017 /nfs/dbraw/zinc/73/90/17/1100739017.db2.gz ILEJULWBHVMACE-QGZVFWFLSA-N 2 0 329.488 2.201 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001446401773 1100798641 /nfs/dbraw/zinc/79/86/41/1100798641.db2.gz YJUMRALHVCUZTF-UHFFFAOYSA-N 2 0 331.451 2.296 10 0 EEAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CCCCC1 ZINC001496325653 1100921372 /nfs/dbraw/zinc/92/13/72/1100921372.db2.gz JFXRAXOPQLDHRC-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001496358821 1100951498 /nfs/dbraw/zinc/95/14/98/1100951498.db2.gz CXDZTFNVNMHUDI-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccccn1 ZINC001496366977 1100959338 /nfs/dbraw/zinc/95/93/38/1100959338.db2.gz GKRGVFXVSAXDMY-FUHWJXTLSA-N 2 0 332.492 2.140 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495300104 1100999779 /nfs/dbraw/zinc/99/97/79/1100999779.db2.gz OPTCNWOLRUUBBR-LJQANCHMSA-N 2 0 348.491 2.016 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496477707 1101068780 /nfs/dbraw/zinc/06/87/80/1101068780.db2.gz AJHYCMGEAFYTEW-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001495432437 1101150276 /nfs/dbraw/zinc/15/02/76/1101150276.db2.gz IXGGRVNVJFTJTA-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001495473914 1101184400 /nfs/dbraw/zinc/18/44/00/1101184400.db2.gz CMJIEYXOZQUAGG-MHORFTMASA-N 2 0 339.524 2.160 10 0 EEAERP 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1104453838 /nfs/dbraw/zinc/45/38/38/1104453838.db2.gz IMLSGRJTPXUXQF-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cncc(F)c1 ZINC001494990831 1104635203 /nfs/dbraw/zinc/63/52/03/1104635203.db2.gz WCBYKSUSHGNHQM-IRXDYDNUSA-N 2 0 336.455 2.080 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480597814 1106738063 /nfs/dbraw/zinc/73/80/63/1106738063.db2.gz VABREEYLBHKOSJ-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(OC)c2)C1)[NH+](C)C ZINC001480622984 1106784026 /nfs/dbraw/zinc/78/40/26/1106784026.db2.gz DGPZLZYACZPLOE-PKOBYXMFSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H](C[NH2+]Cc1sccc1Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498043556 1106825919 /nfs/dbraw/zinc/82/59/19/1106825919.db2.gz MQXFLFYAUQDMQE-AAEUAGOBSA-N 2 0 341.908 2.338 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)c(C)s1 ZINC001498048748 1106838085 /nfs/dbraw/zinc/83/80/85/1106838085.db2.gz PVGSCWOGXFECSP-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)c(C)s1 ZINC001498048750 1106838786 /nfs/dbraw/zinc/83/87/86/1106838786.db2.gz PVGSCWOGXFECSP-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480710875 1106934061 /nfs/dbraw/zinc/93/40/61/1106934061.db2.gz UFOPAMINQYIACQ-SJORKVTESA-N 2 0 348.491 2.376 10 0 EEAERP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001480728585 1106986078 /nfs/dbraw/zinc/98/60/78/1106986078.db2.gz BDTRIXWXSZMYJV-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccncc1Cl ZINC001480765430 1107068854 /nfs/dbraw/zinc/06/88/54/1107068854.db2.gz JQYREQAJBZIGOX-UMVBOHGHSA-N 2 0 338.883 2.060 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cccnc1 ZINC001493111083 1107516882 /nfs/dbraw/zinc/51/68/82/1107516882.db2.gz NTESSFRVOHSWSZ-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP 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C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)CN(Cc2ccccc2)C1 ZINC000425355707 241137411 /nfs/dbraw/zinc/13/74/11/241137411.db2.gz PBCUJIRHHRSJJM-NEWSRXKRSA-N 2 0 329.488 2.355 10 0 EEAERP [NH3+]C[C@@H](c1cccc(Br)c1)N1CC[NH+](CC2CC2)CC1 ZINC000048991919 204362602 /nfs/dbraw/zinc/36/26/02/204362602.db2.gz DGIZDSULKXGDFT-INIZCTEOSA-N 2 0 338.293 2.477 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494894128 247033748 /nfs/dbraw/zinc/03/37/48/247033748.db2.gz RNIZBOBMXFLTOF-IEBWSBKVSA-N 2 0 327.472 2.053 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000303428057 285198516 /nfs/dbraw/zinc/19/85/16/285198516.db2.gz BFXOQJVUOZOTBQ-RBUKOAKNSA-N 2 0 346.519 2.333 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C(C)C ZINC000465975773 285244322 /nfs/dbraw/zinc/24/43/22/285244322.db2.gz BZJGXHURXJVJOA-IAGOWNOFSA-N 2 0 326.529 2.336 10 0 EEAERP CC(C)(C)[NH+]1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000051398006 132181485 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EEAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192753397 160172913 /nfs/dbraw/zinc/17/29/13/160172913.db2.gz ORHGIUKTNXDCSR-IBGZPJMESA-N 2 0 333.524 2.072 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194449346 160194518 /nfs/dbraw/zinc/19/45/18/160194518.db2.gz MEVYOCRJAAFPSJ-INIZCTEOSA-N 2 0 347.507 2.076 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245652847 160246227 /nfs/dbraw/zinc/24/62/27/160246227.db2.gz CCQNFDPVINEHEC-QZTJIDSGSA-N 2 0 334.508 2.297 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000246256666 160270925 /nfs/dbraw/zinc/27/09/25/160270925.db2.gz QAYWQYRKCUDVAD-PZJWPPBQSA-N 2 0 344.547 2.124 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000248083722 160337776 /nfs/dbraw/zinc/33/77/76/160337776.db2.gz SINNZLGFFFVCLJ-CEXWTWQISA-N 2 0 342.487 2.312 10 0 EEAERP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC(=O)N1Cc1ccccc1 ZINC000343510187 161142316 /nfs/dbraw/zinc/14/23/16/161142316.db2.gz KNDMGKNOVHTZNX-OQIJWPOYSA-N 2 0 327.472 2.392 10 0 EEAERP Cc1oc(C2CC2)nc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000352864635 162317436 /nfs/dbraw/zinc/31/74/36/162317436.db2.gz WRIVSFTUPZCYNY-UHFFFAOYSA-N 2 0 336.480 2.206 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000359004420 164033951 /nfs/dbraw/zinc/03/39/51/164033951.db2.gz PKVUNXYEUOFXJC-SFHVURJKSA-N 2 0 328.460 2.418 10 0 EEAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000376810464 167398476 /nfs/dbraw/zinc/39/84/76/167398476.db2.gz BPSHTGBDTATJAC-IBGZPJMESA-N 2 0 342.487 2.313 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000349819592 287342861 /nfs/dbraw/zinc/34/28/61/287342861.db2.gz JOHIYEDHUMRIRI-WBVHZDCISA-N 2 0 336.524 2.375 10 0 EEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000123776492 222330689 /nfs/dbraw/zinc/33/06/89/222330689.db2.gz RDTYXHQOVAERQP-CABCVRRESA-N 2 0 341.521 2.495 10 0 EEAERP CCC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231233 276021377 /nfs/dbraw/zinc/02/13/77/276021377.db2.gz RVBSRXJDOGOTKZ-OALUTQOASA-N 2 0 347.503 2.124 10 0 EEAERP COC(=O)CCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000116398640 277315474 /nfs/dbraw/zinc/31/54/74/277315474.db2.gz LUAAUHUNMJECPR-LJQANCHMSA-N 2 0 348.487 2.317 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457917748 289206849 /nfs/dbraw/zinc/20/68/49/289206849.db2.gz UWEYCGHNDKLTIZ-OALUTQOASA-N 2 0 346.519 2.190 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154673271 289367264 /nfs/dbraw/zinc/36/72/64/289367264.db2.gz OSTPFKIXQCZDSU-GBESFXJTSA-N 2 0 329.488 2.102 10 0 EEAERP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298483811 294508990 /nfs/dbraw/zinc/50/89/90/294508990.db2.gz ADCUSFCPUNCNBW-CQSZACIVSA-N 2 0 345.443 2.145 10 0 EEAERP Cc1n[nH]c(C)c1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397574338 312446706 /nfs/dbraw/zinc/44/67/06/312446706.db2.gz BWMHZFRTEUKOBC-UHFFFAOYSA-N 2 0 328.460 2.143 10 0 EEAERP Cc1ccccc1CC(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700021 313066414 /nfs/dbraw/zinc/06/64/14/313066414.db2.gz UMAKRWRKBKPKBT-QZTJIDSGSA-N 2 0 329.488 2.070 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415564132 313144361 /nfs/dbraw/zinc/14/43/61/313144361.db2.gz HUVWHMBZAVRERP-IBGZPJMESA-N 2 0 330.476 2.398 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416838878 313330789 /nfs/dbraw/zinc/33/07/89/313330789.db2.gz JJADVVLKUCSUBG-CVEARBPZSA-N 2 0 348.516 2.421 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417017223 313395899 /nfs/dbraw/zinc/39/58/99/313395899.db2.gz ORDLKIANWPQOMT-RDJZCZTQSA-N 2 0 336.505 2.136 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000417025089 313399934 /nfs/dbraw/zinc/39/99/34/313399934.db2.gz XNNJAXOIRLFTLO-ZWKOTPCHSA-N 2 0 332.492 2.496 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000417073341 313413660 /nfs/dbraw/zinc/41/36/60/313413660.db2.gz SLHOKFLKAYZEOA-LJQANCHMSA-N 2 0 330.476 2.033 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418137533 313722880 /nfs/dbraw/zinc/72/28/80/313722880.db2.gz SXKCHSCGEFONJL-MRLCAUJQSA-N 2 0 334.508 2.034 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000418444228 313815849 /nfs/dbraw/zinc/81/58/49/313815849.db2.gz AXRUGOAPEJRUDZ-MAUKXSAKSA-N 2 0 330.476 2.476 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000418697004 313883166 /nfs/dbraw/zinc/88/31/66/313883166.db2.gz BHVDXNZPMAUERR-GJZGRUSLSA-N 2 0 333.480 2.065 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000418753355 313898696 /nfs/dbraw/zinc/89/86/96/313898696.db2.gz VJZWYEAUFQUOFW-OKZBNKHCSA-N 2 0 348.466 2.184 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(C)c(OC)c2C)CC1 ZINC000451975866 315471320 /nfs/dbraw/zinc/47/13/20/315471320.db2.gz ACNFYOVUMDIUQF-UHFFFAOYSA-N 2 0 334.508 2.213 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498014738 316332547 /nfs/dbraw/zinc/33/25/47/316332547.db2.gz KXZYLTVRDNNCQP-SQWLQELKSA-N 2 0 338.521 2.380 10 0 EEAERP OCc1ccc(F)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000528367581 317369510 /nfs/dbraw/zinc/36/95/10/317369510.db2.gz RVKVDZSEEQNEBN-UHFFFAOYSA-N 2 0 336.451 2.252 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715479 318168018 /nfs/dbraw/zinc/16/80/18/318168018.db2.gz OACQUSDHIQNLQE-BBWFWOEESA-N 2 0 332.492 2.391 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000564323295 319078287 /nfs/dbraw/zinc/07/82/87/319078287.db2.gz HVVLOKXTTOHUTQ-LPHOPBHVSA-N 2 0 325.460 2.492 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1coc(C2CCCCC2)n1 ZINC000567410036 319377665 /nfs/dbraw/zinc/37/76/65/319377665.db2.gz QUYLDTLKRVDNBS-UHFFFAOYSA-N 2 0 336.480 2.288 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4cccnc4o3)cn2)CC1 ZINC000574517562 320032605 /nfs/dbraw/zinc/03/26/05/320032605.db2.gz RGUVEKNTJMQCAV-UHFFFAOYSA-N 2 0 337.427 2.264 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575027441 320080771 /nfs/dbraw/zinc/08/07/71/320080771.db2.gz OMQVXPYWCLRMNZ-HKUYNNGSSA-N 2 0 336.524 2.282 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000185239260 323434574 /nfs/dbraw/zinc/43/45/74/323434574.db2.gz GHNWDICEFXTHGC-SFHVURJKSA-N 2 0 334.508 2.445 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000341213095 465059470 /nfs/dbraw/zinc/05/94/70/465059470.db2.gz MVEBVNZIJBSKOV-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000341269657 465085120 /nfs/dbraw/zinc/08/51/20/465085120.db2.gz MBPNAKJUAJNYNY-SJLPKXTDSA-N 2 0 342.487 2.312 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCNC(=O)C(C)C)CC1 ZINC000088669507 462641476 /nfs/dbraw/zinc/64/14/76/462641476.db2.gz XAPOVFYETMRHJY-UHFFFAOYSA-N 2 0 346.519 2.080 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154602854 462787647 /nfs/dbraw/zinc/78/76/47/462787647.db2.gz QEVSWLMNFLMTMG-AEFFLSMTSA-N 2 0 345.487 2.183 10 0 EEAERP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000579223334 468328018 /nfs/dbraw/zinc/32/80/18/468328018.db2.gz YBWQMWZYKYHWHC-KURKYZTESA-N 2 0 325.541 2.037 10 0 EEAERP CCOc1cc2c(c(C[NH2+]CC3CC[NH+](CCO)CC3)c1)O[C@H](C)C2 ZINC000069415560 463241230 /nfs/dbraw/zinc/24/12/30/463241230.db2.gz FBRCCSQDWALSKR-OAHLLOKOSA-N 2 0 348.487 2.203 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000069471261 463254291 /nfs/dbraw/zinc/25/42/91/463254291.db2.gz MGMHYPKPSLMYEB-MRXNPFEDSA-N 2 0 333.476 2.089 10 0 EEAERP Cc1ccc2[nH]cc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2c1 ZINC000073428062 463610962 /nfs/dbraw/zinc/61/09/62/463610962.db2.gz PGSAAXKROHYKRQ-UHFFFAOYSA-N 2 0 344.503 2.361 10 0 EEAERP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCOCC1 ZINC000261880132 463886788 /nfs/dbraw/zinc/88/67/88/463886788.db2.gz PDTYOXUFNQCJAD-UHFFFAOYSA-N 2 0 345.487 2.187 10 0 EEAERP Cn1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000171589600 463888207 /nfs/dbraw/zinc/88/82/07/463888207.db2.gz RVURMMKUBKAWBN-HXUWFJFHSA-N 2 0 342.487 2.298 10 0 EEAERP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261895576 463891121 /nfs/dbraw/zinc/89/11/21/463891121.db2.gz HANAHIQKAZMFJR-OTWHNJEPSA-N 2 0 333.476 2.196 10 0 EEAERP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261959033 463910376 /nfs/dbraw/zinc/91/03/76/463910376.db2.gz PFYSGJHOMAUNQJ-ZCNNSNEGSA-N 2 0 340.471 2.178 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCOCC2 ZINC000186310403 463974381 /nfs/dbraw/zinc/97/43/81/463974381.db2.gz FJQRYCBLKZTPJF-QZTJIDSGSA-N 2 0 340.508 2.051 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000178889163 464004629 /nfs/dbraw/zinc/00/46/29/464004629.db2.gz UPGXJMSLBMRVAI-BEFAXECRSA-N 2 0 338.455 2.181 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000262661063 464036890 /nfs/dbraw/zinc/03/68/90/464036890.db2.gz GJWGACQRHBGNMY-YTQUADARSA-N 2 0 329.488 2.457 10 0 EEAERP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]3[NH3+])CC2)cc1F ZINC000237293070 464298978 /nfs/dbraw/zinc/29/89/78/464298978.db2.gz OWTKMICERCIWAT-DOTOQJQBSA-N 2 0 349.450 2.042 10 0 EEAERP C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000237510711 464332234 /nfs/dbraw/zinc/33/22/34/464332234.db2.gz ITWJQJYUWDVEIM-QFBILLFUSA-N 2 0 331.504 2.301 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)C3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000237544475 464337750 /nfs/dbraw/zinc/33/77/50/464337750.db2.gz BJVBIDWSKHDNGH-RTBURBONSA-N 2 0 343.471 2.089 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000174662720 464435707 /nfs/dbraw/zinc/43/57/07/464435707.db2.gz OIIJMWMZWYSAEN-RTBURBONSA-N 2 0 327.472 2.348 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000245585458 464496760 /nfs/dbraw/zinc/49/67/60/464496760.db2.gz AGWCJIUJNPDWRW-DLBZAZTESA-N 2 0 326.529 2.336 10 0 EEAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245649067 464502176 /nfs/dbraw/zinc/50/21/76/464502176.db2.gz MJARVHTWWNNDEU-ROUUACIJSA-N 2 0 332.492 2.463 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246565086 464601354 /nfs/dbraw/zinc/60/13/54/464601354.db2.gz ZEQGMXBZAYFTNN-XDNAFOTISA-N 2 0 338.540 2.479 10 0 EEAERP CCOC(=O)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000597000596 468412843 /nfs/dbraw/zinc/41/28/43/468412843.db2.gz NOAJTAQHPMPSSB-UHFFFAOYSA-N 2 0 328.416 2.433 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246915575 464633007 /nfs/dbraw/zinc/63/30/07/464633007.db2.gz GGMNHUSVTUBNBH-KURKYZTESA-N 2 0 332.492 2.461 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247261248 464662307 /nfs/dbraw/zinc/66/23/07/464662307.db2.gz ZGBALOQRZBXRBU-RBUKOAKNSA-N 3 0 336.568 2.257 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC000247977699 464718996 /nfs/dbraw/zinc/71/89/96/464718996.db2.gz GRIGEPONIUYRNQ-RTBURBONSA-N 2 0 342.487 2.169 10 0 EEAERP CCC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000248597637 464769611 /nfs/dbraw/zinc/76/96/11/464769611.db2.gz MWWVQPWKLSTFGP-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000177424898 465011574 /nfs/dbraw/zinc/01/15/74/465011574.db2.gz XQBCQPJPOMJMTD-GOSISDBHSA-N 2 0 332.492 2.244 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000357269545 465902560 /nfs/dbraw/zinc/90/25/60/465902560.db2.gz GNWMWYNUVJLDGZ-APWZRJJASA-N 2 0 344.503 2.476 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340246037 465917527 /nfs/dbraw/zinc/91/75/27/465917527.db2.gz HFEHGMRPRIBBKY-UHFFFAOYSA-N 2 0 330.538 2.301 10 0 EEAERP O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000591373683 468461907 /nfs/dbraw/zinc/46/19/07/468461907.db2.gz HTAOBBKICBKZSO-LJQANCHMSA-N 2 0 343.471 2.272 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H]2CCC[C@H]21 ZINC000367616877 466450464 /nfs/dbraw/zinc/45/04/64/466450464.db2.gz MKOLTSBXOIVIAU-BPQIPLTHSA-N 2 0 348.466 2.020 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000358234344 466561749 /nfs/dbraw/zinc/56/17/49/466561749.db2.gz LEFARFTWCVYQQZ-DLBZAZTESA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H](c1ccccc1)N1CCN(C(=O)CN(C)C[C@H]2CCCO2)CC1 ZINC000339004727 466562828 /nfs/dbraw/zinc/56/28/28/466562828.db2.gz FBMIXUKJUWANLF-IEBWSBKVSA-N 2 0 345.487 2.003 10 0 EEAERP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1c[nH+]ccc1N ZINC000423027438 466689881 /nfs/dbraw/zinc/68/98/81/466689881.db2.gz OZMWDTUBVSLUTB-HIFRSBDPSA-N 2 0 326.448 2.203 10 0 EEAERP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423290499 466709749 /nfs/dbraw/zinc/70/97/49/466709749.db2.gz DHBHVBLJHOEZOD-ZIAGYGMSSA-N 2 0 347.484 2.465 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccnc1 ZINC000423381103 466733593 /nfs/dbraw/zinc/73/35/93/466733593.db2.gz HRIWTBRCQZBROA-CABCVRRESA-N 2 0 330.398 2.204 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000417157034 466792411 /nfs/dbraw/zinc/79/24/11/466792411.db2.gz ACJFIVDJMXJRNP-ZOBUZTSGSA-N 2 0 348.491 2.257 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NCc2cnc3n2CCCC3)CC1 ZINC000375124299 466813604 /nfs/dbraw/zinc/81/36/04/466813604.db2.gz AYLKPADRVCYBBO-UHFFFAOYSA-N 2 0 333.480 2.141 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423798875 466842197 /nfs/dbraw/zinc/84/21/97/466842197.db2.gz KLHFPMBRFXEYRN-AFMYVXGZSA-N 2 0 327.472 2.051 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000365722533 466918556 /nfs/dbraw/zinc/91/85/56/466918556.db2.gz IRYBENNALSYGGJ-AEFFLSMTSA-N 2 0 344.503 2.405 10 0 EEAERP CSCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021910 466954587 /nfs/dbraw/zinc/95/45/87/466954587.db2.gz SFWKVVIUNJRHAS-UHFFFAOYSA-N 2 0 335.517 2.239 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417986465 467011885 /nfs/dbraw/zinc/01/18/85/467011885.db2.gz GSUNYNXHJNXITQ-SQGPQFPESA-N 2 0 348.535 2.425 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417995640 467016209 /nfs/dbraw/zinc/01/62/09/467016209.db2.gz QMMUYBNYWYNTBY-CUSZFKRNSA-N 2 0 334.508 2.033 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418429778 467109222 /nfs/dbraw/zinc/10/92/22/467109222.db2.gz OAGRLMLWUOKNRE-AEFFLSMTSA-N 2 0 330.476 2.060 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418598597 467133777 /nfs/dbraw/zinc/13/37/77/467133777.db2.gz QRKQEOFYSBTRDT-MTNOOBJLSA-N 2 0 344.503 2.289 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H](C)[NH3+] ZINC000418720987 467150043 /nfs/dbraw/zinc/15/00/43/467150043.db2.gz KEDVMQVFMQQSCQ-FCEWJHQRSA-N 2 0 330.476 2.030 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420394441 467394255 /nfs/dbraw/zinc/39/42/55/467394255.db2.gz KPAPLBGQDUMREV-CRAIPNDOSA-N 2 0 341.455 2.137 10 0 EEAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390959790 467417310 /nfs/dbraw/zinc/41/73/10/467417310.db2.gz YDPRJGAYNDTYPX-RMPXNZIMSA-N 2 0 327.472 2.296 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(CCO)CCOC2)CC1 ZINC000449189597 467622706 /nfs/dbraw/zinc/62/27/06/467622706.db2.gz PODYCUJVMLBRLC-WIYYLYMNSA-N 2 0 346.515 2.461 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CO)CCOCC2)CC1 ZINC000449209962 467623805 /nfs/dbraw/zinc/62/38/05/467623805.db2.gz SQUBCXFQFQYUBP-SFHVURJKSA-N 2 0 346.515 2.461 10 0 EEAERP Cn1cnc(CCNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000529476976 467868483 /nfs/dbraw/zinc/86/84/83/467868483.db2.gz HHNCVLGCGFKQDV-QGZVFWFLSA-N 2 0 346.862 2.397 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000531446163 468053584 /nfs/dbraw/zinc/05/35/84/468053584.db2.gz UKADRLNPFLXFHP-WBVHZDCISA-N 2 0 330.476 2.205 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C(=O)NCC[NH+](C)C ZINC000488434152 468086713 /nfs/dbraw/zinc/08/67/13/468086713.db2.gz OTYMKIMXIYHMGR-PMPSAXMXSA-N 2 0 329.554 2.199 10 0 EEAERP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000567661816 468178333 /nfs/dbraw/zinc/17/83/33/468178333.db2.gz SRYSLMBJHRPHCU-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578742287 468249347 /nfs/dbraw/zinc/24/93/47/468249347.db2.gz PGXOVMLFOWEHLM-UYAOXDASSA-N 2 0 342.487 2.046 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)CCC2 ZINC000594490684 468607237 /nfs/dbraw/zinc/60/72/37/468607237.db2.gz PXIYBSABCYYFTJ-LJQANCHMSA-N 2 0 345.487 2.078 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000600708410 468627628 /nfs/dbraw/zinc/62/76/28/468627628.db2.gz COYASSXJBVOPPW-NSHDSACASA-N 2 0 348.228 2.178 10 0 EEAERP C[C@H](CSCCF)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000595005827 468742235 /nfs/dbraw/zinc/74/22/35/468742235.db2.gz HFODDBUBLMMBSH-CQSZACIVSA-N 2 0 326.485 2.014 10 0 EEAERP CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000571341373 468774005 /nfs/dbraw/zinc/77/40/05/468774005.db2.gz KWBVNOYQNQXIOL-RBUKOAKNSA-N 2 0 327.472 2.061 10 0 EEAERP CC(C)[N@H+](C)CC1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000560336438 468783728 /nfs/dbraw/zinc/78/37/28/468783728.db2.gz AYLGXVBFVOKOJJ-UHFFFAOYSA-N 2 0 342.491 2.257 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000572118372 468888303 /nfs/dbraw/zinc/88/83/03/468888303.db2.gz ARWRYVPMKYPGBU-AUUYWEPGSA-N 2 0 338.455 2.474 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000593731000 469113460 /nfs/dbraw/zinc/11/34/60/469113460.db2.gz RAXHQBBAPPQOIX-YUELXQCFSA-N 2 0 338.473 2.396 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000625834070 469405227 /nfs/dbraw/zinc/40/52/27/469405227.db2.gz HEKZVOFGHYYULM-JKSUJKDBSA-N 2 0 345.491 2.009 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000618929194 469473991 /nfs/dbraw/zinc/47/39/91/469473991.db2.gz SHHZOGBEEICXTK-NJAFHUGGSA-N 2 0 330.476 2.215 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540274 469617890 /nfs/dbraw/zinc/61/78/90/469617890.db2.gz FHKHYSKGDIDODY-NHCUHLMSSA-N 3 0 345.531 2.430 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428774 469654560 /nfs/dbraw/zinc/65/45/60/469654560.db2.gz ZZPUJIWTHHPKKV-SLFFLAALSA-N 2 0 345.531 2.332 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)Cc1ccccc1 ZINC000626933296 469760780 /nfs/dbraw/zinc/76/07/80/469760780.db2.gz JMQICTIIGXRVKD-WDSOQIARSA-N 2 0 346.519 2.379 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)[C@H]2CCC[C@H]21 ZINC000624103651 469842472 /nfs/dbraw/zinc/84/24/72/469842472.db2.gz JKLAUHMGOLNOOJ-OWCLPIDISA-N 2 0 346.462 2.406 10 0 EEAERP CN(CC[NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627220361 469848731 /nfs/dbraw/zinc/84/87/31/469848731.db2.gz ODCFAECZFQVTKO-ZDUSSCGKSA-N 2 0 333.263 2.196 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2COCCN2C)CC1 ZINC000624176429 469865309 /nfs/dbraw/zinc/86/53/09/469865309.db2.gz LEOFBLGTVNVYCS-PXNSSMCTSA-N 2 0 331.504 2.002 10 0 EEAERP CN(CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc[nH+]cc1 ZINC000620771288 469911139 /nfs/dbraw/zinc/91/11/39/469911139.db2.gz FSTRAHAERVXRER-LJQANCHMSA-N 2 0 338.455 2.299 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000628211479 470076963 /nfs/dbraw/zinc/07/69/63/470076963.db2.gz RXGXCYUWDOOMMM-SFHVURJKSA-N 2 0 335.517 2.353 10 0 EEAERP COc1cncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000631172397 470086337 /nfs/dbraw/zinc/08/63/37/470086337.db2.gz KLUJLMFJIMCIBI-LJQANCHMSA-N 2 0 341.455 2.255 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)CC[N@@H+]1C ZINC000631308787 470116411 /nfs/dbraw/zinc/11/64/11/470116411.db2.gz HIQABSOPQZMLJY-RYQLBKOJSA-N 2 0 330.476 2.017 10 0 EEAERP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634707272 470282993 /nfs/dbraw/zinc/28/29/93/470282993.db2.gz CNGLWEQCTOSKTD-RTBURBONSA-N 2 0 326.525 2.246 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634724076 470286931 /nfs/dbraw/zinc/28/69/31/470286931.db2.gz JJGXAWMUHWFCBR-GKBFQHABSA-N 2 0 346.515 2.256 10 0 EEAERP C[N@H+](Cc1cc2cccnc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585967 470298722 /nfs/dbraw/zinc/29/87/22/470298722.db2.gz CNCXQGVNBWEJFR-QGZVFWFLSA-N 2 0 328.460 2.428 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649288188 470529474 /nfs/dbraw/zinc/52/94/74/470529474.db2.gz ATXLEFUABATQMD-HNNXBMFYSA-N 2 0 331.460 2.378 10 0 EEAERP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760199 470654177 /nfs/dbraw/zinc/65/41/77/470654177.db2.gz UGDWODZQFQIFLD-GOSISDBHSA-N 2 0 346.471 2.047 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000646850197 470754958 /nfs/dbraw/zinc/75/49/58/470754958.db2.gz WVPRGKOWFGFHJE-QZTJIDSGSA-N 2 0 329.488 2.451 10 0 EEAERP Cn1nnc2cc(C[NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000647248910 470867861 /nfs/dbraw/zinc/86/78/61/470867861.db2.gz OKNDCRSBXDHHJW-MSOLQXFVSA-N 2 0 335.455 2.403 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H](F)C[C@H]2C[NH2+]C)CC1 ZINC000647540545 470925832 /nfs/dbraw/zinc/92/58/32/470925832.db2.gz ZKMAWPKBWVTVIV-OALUTQOASA-N 2 0 348.510 2.350 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[NH2+]C)c1 ZINC000650757869 470960113 /nfs/dbraw/zinc/96/01/13/470960113.db2.gz COIZMFMZNFZMRE-AWEZNQCLSA-N 2 0 347.484 2.165 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804437 470988071 /nfs/dbraw/zinc/98/80/71/470988071.db2.gz QPKNKWVFCGMPLK-SCRDCRAPSA-N 2 0 345.409 2.326 10 0 EEAERP COc1ccccc1CN(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899713 471010190 /nfs/dbraw/zinc/01/01/90/471010190.db2.gz SXOOLFXAIIMSEE-FUHWJXTLSA-N 2 0 345.487 2.118 10 0 EEAERP COC[C@@H](CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000657556243 471169212 /nfs/dbraw/zinc/16/92/12/471169212.db2.gz YALFNVUODNPEAP-LJQANCHMSA-N 2 0 349.519 2.358 10 0 EEAERP Nc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000645229649 471184227 /nfs/dbraw/zinc/18/42/27/471184227.db2.gz AXDLIKYOPFMQOU-MRXNPFEDSA-N 2 0 337.471 2.294 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000652117766 471238335 /nfs/dbraw/zinc/23/83/35/471238335.db2.gz WLOLANKBGSURQT-UHFFFAOYSA-N 2 0 330.476 2.079 10 0 EEAERP COC[C@H](CC1CCOCC1)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000657954250 471251531 /nfs/dbraw/zinc/25/15/31/471251531.db2.gz GKGOHMPSDKCWPJ-KRWDZBQOSA-N 2 0 348.491 2.077 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000652210551 471256075 /nfs/dbraw/zinc/25/60/75/471256075.db2.gz XPZDDEFBNZLQEI-LBPRGKRZSA-N 2 0 330.407 2.304 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH3+])cc2F)[C@@H](C)C1 ZINC000652276388 471265703 /nfs/dbraw/zinc/26/57/03/471265703.db2.gz UBCQUVCNUWQYKP-SUMWQHHRSA-N 2 0 336.455 2.156 10 0 EEAERP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360435 471279156 /nfs/dbraw/zinc/27/91/56/471279156.db2.gz HMUVLEANFOTCPI-LZQZEXGQSA-N 2 0 334.460 2.435 10 0 EEAERP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360432 471279601 /nfs/dbraw/zinc/27/96/01/471279601.db2.gz HMUVLEANFOTCPI-ATZDWAIDSA-N 2 0 334.460 2.435 10 0 EEAERP CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000666283697 471340354 /nfs/dbraw/zinc/34/03/54/471340354.db2.gz YJKHHRPSDZCVDG-MRXNPFEDSA-N 2 0 348.495 2.016 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)Cc1ccccc1 ZINC000663445491 471380662 /nfs/dbraw/zinc/38/06/62/471380662.db2.gz PJXQNFFPWVEACB-ROUUACIJSA-N 2 0 346.519 2.331 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659029283 471473824 /nfs/dbraw/zinc/47/38/24/471473824.db2.gz BBRVIYYHWZQDMO-YJBOKZPZSA-N 2 0 346.475 2.343 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035700 471477616 /nfs/dbraw/zinc/47/76/16/471477616.db2.gz YTEIGNAYDIYLOE-ZWKOTPCHSA-N 2 0 346.475 2.342 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659047782 471487318 /nfs/dbraw/zinc/48/73/18/471487318.db2.gz VGUFKPCJOMNODV-RHSMWYFYSA-N 2 0 334.464 2.198 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000669478684 471510917 /nfs/dbraw/zinc/51/09/17/471510917.db2.gz XIJJOYRRKVQCOQ-AATRIKPKSA-N 2 0 330.476 2.377 10 0 EEAERP C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC[NH2+]C1 ZINC000659382978 471600162 /nfs/dbraw/zinc/60/01/62/471600162.db2.gz SFLFLJVNNPDXTP-QUCCMNQESA-N 2 0 341.499 2.405 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667083157 471647924 /nfs/dbraw/zinc/64/79/24/471647924.db2.gz ODGZJZJLDLCTQN-RHSMWYFYSA-N 2 0 334.464 2.137 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncnc2c1cnn2-c1ccncc1 ZINC000656472090 471726613 /nfs/dbraw/zinc/72/66/13/471726613.db2.gz BNLXNGGIRSGEKP-AWEZNQCLSA-N 2 0 337.431 2.495 10 0 EEAERP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(F)CC1 ZINC000661999223 471952226 /nfs/dbraw/zinc/95/22/26/471952226.db2.gz DIKUYODONGHGAX-WLYUNCDWSA-N 2 0 325.472 2.236 10 0 EEAERP O=C1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CCCCC1 ZINC000667981063 471970826 /nfs/dbraw/zinc/97/08/26/471970826.db2.gz AROBJRFLIGVPOM-HNNXBMFYSA-N 2 0 339.443 2.291 10 0 EEAERP COCCC[N@H+](CCc1ccc(OC)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255789 472045083 /nfs/dbraw/zinc/04/50/83/472045083.db2.gz ROPBZRAEZBTHND-LJQANCHMSA-N 2 0 348.487 2.097 10 0 EEAERP CC(C)CCOCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336784 472076606 /nfs/dbraw/zinc/07/66/06/472076606.db2.gz GQHYPBRMHUGCFM-KRWDZBQOSA-N 2 0 349.523 2.061 10 0 EEAERP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CC1([NH3+])CC1 ZINC000662660172 472191599 /nfs/dbraw/zinc/19/15/99/472191599.db2.gz CBDVXAHOGJIDLB-UHFFFAOYSA-N 2 0 329.448 2.198 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)on1 ZINC000662665586 472195410 /nfs/dbraw/zinc/19/54/10/472195410.db2.gz MIPGWTPEPOULPN-OAHLLOKOSA-N 2 0 342.443 2.435 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662684206 472205365 /nfs/dbraw/zinc/20/53/65/472205365.db2.gz BZQYOAANZHBLBK-MOPGFXCFSA-N 2 0 337.423 2.173 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662685872 472207132 /nfs/dbraw/zinc/20/71/32/472207132.db2.gz ZUBBQNAWNRLMRJ-GOSISDBHSA-N 2 0 327.472 2.442 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142291 485571071 /nfs/dbraw/zinc/57/10/71/485571071.db2.gz VRKOGPYXOFYGMJ-UZLBHIALSA-N 3 0 331.504 2.073 10 0 EEAERP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000415904622 528343938 /nfs/dbraw/zinc/34/39/38/528343938.db2.gz GWFRIMXVHZYXIH-KRWDZBQOSA-N 2 0 334.464 2.028 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000425999965 534935796 /nfs/dbraw/zinc/93/57/96/534935796.db2.gz FTXIFGBQFRIUOL-BGYRXZFFSA-N 2 0 342.531 2.212 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422957796 536594607 /nfs/dbraw/zinc/59/46/07/536594607.db2.gz OAOQOPPDRWYKFF-CQSZACIVSA-N 2 0 338.839 2.276 10 0 EEAERP COc1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423544843 536931896 /nfs/dbraw/zinc/93/18/96/536931896.db2.gz IZSZOVOXTGQRRM-QKMNUUQDSA-N 2 0 329.488 2.466 10 0 EEAERP COC(=O)c1ccc2c(cnn2C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000728907374 576558740 /nfs/dbraw/zinc/55/87/40/576558740.db2.gz YBGXRDAIQLOBMF-UHFFFAOYSA-N 2 0 330.432 2.054 10 0 EEAERP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741499139 578120435 /nfs/dbraw/zinc/12/04/35/578120435.db2.gz RAOWIQDTFLXCRI-ZFWWWQNUSA-N 2 0 340.562 2.157 10 0 EEAERP CC(C)n1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000926679742 681263270 /nfs/dbraw/zinc/26/32/70/681263270.db2.gz ZSKLQOJSQOBACT-OAHLLOKOSA-N 2 0 335.496 2.401 10 0 EEAERP C[C@@H]1CC2(CC([NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)C2)CO1 ZINC000924569688 681620615 /nfs/dbraw/zinc/62/06/15/681620615.db2.gz IRMCTHDHWKZNRH-KMFTYDHNSA-N 2 0 343.515 2.351 10 0 EEAERP Brc1ccc(/C=C/CC[NH2+][C@@H]2CNCCOC2)cc1 ZINC000925723670 687403572 /nfs/dbraw/zinc/40/35/72/687403572.db2.gz SZFFEJLTKJENJI-BQTXGFLSSA-N 2 0 325.250 2.430 10 0 EEAERP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925221605 687706630 /nfs/dbraw/zinc/70/66/30/687706630.db2.gz NAHYHNITVNABEA-HZPDHXFCSA-N 2 0 332.488 2.404 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccnnc1 ZINC000924720550 693276908 /nfs/dbraw/zinc/27/69/08/693276908.db2.gz ADUAHJRTYUFHNF-INIZCTEOSA-N 2 0 325.460 2.075 10 0 EEAERP CC(C)OCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001485504242 1191818432 /nfs/dbraw/zinc/81/84/32/1191818432.db2.gz RPBRZUUSHZEKKH-WMZOPIPTSA-N 2 0 339.524 2.111 10 0 EEAERP CC/C=C\CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641100 1191875780 /nfs/dbraw/zinc/87/57/80/1191875780.db2.gz OPDTZPNKYRJPST-IFOCYFHOSA-N 2 0 349.519 2.177 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485686523 1191897315 /nfs/dbraw/zinc/89/73/15/1191897315.db2.gz WPFWOGDVJVKABY-SAABIXHNSA-N 2 0 329.488 2.464 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC001266410468 1176498696 /nfs/dbraw/zinc/49/86/96/1176498696.db2.gz BWLRFYORETWRTB-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266441733 1176540993 /nfs/dbraw/zinc/54/09/93/1176540993.db2.gz LMRRTRBWPDSNNZ-VQTJNVASSA-N 2 0 343.515 2.364 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001691770793 1176833153 /nfs/dbraw/zinc/83/31/53/1176833153.db2.gz JEYVQYHGSOSWCR-WDSOQIARSA-N 2 0 347.478 2.337 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001266873531 1177674844 /nfs/dbraw/zinc/67/48/44/1177674844.db2.gz ZTBKNLFSLAJSDH-SFHVURJKSA-N 2 0 347.503 2.021 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC1CCC([NH2+]CCOC)CC1)c1ccccc1 ZINC001266915904 1177793832 /nfs/dbraw/zinc/79/38/32/1177793832.db2.gz PSWLMWJZRVBADE-CTWPCTMYSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001267057543 1178165428 /nfs/dbraw/zinc/16/54/28/1178165428.db2.gz ILUOENALOVBWCG-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP CC(C)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001267098079 1178234781 /nfs/dbraw/zinc/23/47/81/1178234781.db2.gz DIEPPCRVIRJWMK-IBGZPJMESA-N 2 0 331.504 2.433 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1Cc1cscn1)C12CC[NH+](CC1)C2 ZINC001267178897 1178431526 /nfs/dbraw/zinc/43/15/26/1178431526.db2.gz GQXALBHHKILITD-MRXNPFEDSA-N 2 0 348.516 2.100 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1C[C@@H]1CCCOC1 ZINC001267181875 1178441709 /nfs/dbraw/zinc/44/17/09/1178441709.db2.gz PMKAUFRCKJMBLT-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@H]2CC[N@@H+](C)C2)oc1C ZINC001267181818 1178442716 /nfs/dbraw/zinc/44/27/16/1178442716.db2.gz OGDSMRITNYVBQP-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001691441607 1178634616 /nfs/dbraw/zinc/63/46/16/1178634616.db2.gz SGWWGLKFHHEUFH-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nocc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001267419345 1178985729 /nfs/dbraw/zinc/98/57/29/1178985729.db2.gz LURKGOLSVABRCY-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001267422674 1178992028 /nfs/dbraw/zinc/99/20/28/1178992028.db2.gz PCZTZYDRJHBANU-GOSISDBHSA-N 2 0 343.515 2.496 10 0 EEAERP CC(C)[C@H](C(=O)NCCN(C)Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001480952104 1179130298 /nfs/dbraw/zinc/13/02/98/1179130298.db2.gz WQVNDGNYQBRAKU-GOSISDBHSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)[N@@H+](CC=C(Cl)Cl)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267515125 1179234143 /nfs/dbraw/zinc/23/41/43/1179234143.db2.gz XKAZQWGZPDFABL-CYBMUJFWSA-N 2 0 336.307 2.474 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCCCC(F)(F)F)C2)CC[N@@H+]1C ZINC001481093498 1179722321 /nfs/dbraw/zinc/72/23/21/1179722321.db2.gz DTNZFCJAOANBBV-RBSFLKMASA-N 2 0 349.441 2.497 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccns3)C2)cn1 ZINC001481098157 1179735295 /nfs/dbraw/zinc/73/52/95/1179735295.db2.gz SAKFLEHHRYLJBD-AWEZNQCLSA-N 2 0 347.488 2.021 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001267728700 1180313275 /nfs/dbraw/zinc/31/32/75/1180313275.db2.gz GXWWREPWDXSANR-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267769907 1180467317 /nfs/dbraw/zinc/46/73/17/1180467317.db2.gz FBLTWZVGNXPIPY-BZSNNMDCSA-N 2 0 339.524 2.065 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001267892756 1180704326 /nfs/dbraw/zinc/70/43/26/1180704326.db2.gz JFALUQNSMUBQEK-INIZCTEOSA-N 2 0 337.533 2.461 10 0 EEAERP Cc1nc(C[N@H+]2CC[C@H](CCNC(=O)C3([NH+](C)C)CCC3)C2)c(C)o1 ZINC001481434883 1181327564 /nfs/dbraw/zinc/32/75/64/1181327564.db2.gz GMUKIWZPGXTDKA-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001268038176 1181386351 /nfs/dbraw/zinc/38/63/51/1181386351.db2.gz QOQUNFRJLWUGNA-MRXNPFEDSA-N 2 0 327.488 2.487 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001268140297 1181801885 /nfs/dbraw/zinc/80/18/85/1181801885.db2.gz HAJLBVQEBQIWIV-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCOC)C1 ZINC001268160713 1181873013 /nfs/dbraw/zinc/87/30/13/1181873013.db2.gz WDBOJYGHGHEQJY-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001268161124 1181874449 /nfs/dbraw/zinc/87/44/49/1181874449.db2.gz XTRJVYGZMDUPMH-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481655272 1182137749 /nfs/dbraw/zinc/13/77/49/1182137749.db2.gz UJUTUXSYPLVRIA-HNNXBMFYSA-N 2 0 333.451 2.024 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001481655195 1182137941 /nfs/dbraw/zinc/13/79/41/1182137941.db2.gz SPQPFJRQFJSEIF-KRWDZBQOSA-N 2 0 333.520 2.347 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001268393839 1182458537 /nfs/dbraw/zinc/45/85/37/1182458537.db2.gz KEUYOHFYCUNZML-ZFWWWQNUSA-N 2 0 338.521 2.174 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncs1 ZINC001268402203 1182499056 /nfs/dbraw/zinc/49/90/56/1182499056.db2.gz GFNBBQSXJDQYSM-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001268403626 1182508736 /nfs/dbraw/zinc/50/87/36/1182508736.db2.gz JUQHKYVWUHAERJ-DOMZBBRYSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268418186 1182574835 /nfs/dbraw/zinc/57/48/35/1182574835.db2.gz CZVPKGRCLTUXLT-JXFKEZNVSA-N 2 0 347.478 2.339 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268427370 1182595613 /nfs/dbraw/zinc/59/56/13/1182595613.db2.gz WNILCEOZFKNOSS-APWZRJJASA-N 2 0 347.503 2.415 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[NH+]1CCCC1 ZINC001268424842 1182595771 /nfs/dbraw/zinc/59/57/71/1182595771.db2.gz XQLFRBQBMYQFIG-OAHLLOKOSA-N 2 0 328.460 2.248 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1c(C)cccc1C ZINC001481872993 1182857722 /nfs/dbraw/zinc/85/77/22/1182857722.db2.gz ZFTBEDYCXYPNSQ-QGZVFWFLSA-N 2 0 329.488 2.384 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ocnc1C ZINC001481883701 1182872309 /nfs/dbraw/zinc/87/23/09/1182872309.db2.gz YCZYRHQLCPRDKP-NVXWUHKLSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)CC[NH+](C)C ZINC001268476146 1182895934 /nfs/dbraw/zinc/89/59/34/1182895934.db2.gz POPRRANBAYKIJH-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP C[NH+]1CCC(CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCC2)CC1 ZINC001481907301 1182924929 /nfs/dbraw/zinc/92/49/29/1182924929.db2.gz JYUIOEJXSNMKCM-RUDMXATFSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481983415 1183079063 /nfs/dbraw/zinc/07/90/63/1183079063.db2.gz HOHVYNFALXPGJP-MRXNPFEDSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cnc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001482002150 1183117309 /nfs/dbraw/zinc/11/73/09/1183117309.db2.gz ASWUGOZLJONTJP-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001482007766 1183130052 /nfs/dbraw/zinc/13/00/52/1183130052.db2.gz FEDBVLGZEJBBOD-HZPDHXFCSA-N 2 0 348.491 2.266 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)s1 ZINC001268523167 1183176769 /nfs/dbraw/zinc/17/67/69/1183176769.db2.gz PNTXLRJFFFNGRL-YWVDXFKGSA-N 2 0 327.881 2.258 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001482034487 1183185259 /nfs/dbraw/zinc/18/52/59/1183185259.db2.gz PDRPREAPVCINCQ-HNNXBMFYSA-N 2 0 335.467 2.482 10 0 EEAERP CCOCC[NH+]1CCC(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001482052090 1183248364 /nfs/dbraw/zinc/24/83/64/1183248364.db2.gz ZYBZCYKXMLTYCX-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001482054226 1183251434 /nfs/dbraw/zinc/25/14/34/1183251434.db2.gz IAVQIBDPGRHPJE-UXHICEINSA-N 2 0 343.515 2.466 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001482064970 1183280500 /nfs/dbraw/zinc/28/05/00/1183280500.db2.gz ALVBRTJHPLRDDR-FUHWJXTLSA-N 2 0 347.478 2.291 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001268579163 1183347265 /nfs/dbraw/zinc/34/72/65/1183347265.db2.gz OWVKOXXWPVFNOH-VOFKWLDRSA-N 2 0 344.503 2.451 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482130609 1183380327 /nfs/dbraw/zinc/38/03/27/1183380327.db2.gz HBOIBTSGHGJPEC-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C/C[NH2+]Cc2ccccn2)C1 ZINC001268591000 1183391720 /nfs/dbraw/zinc/39/17/20/1183391720.db2.gz MHNSAFJTERAUIC-OVKVCFKUSA-N 2 0 348.466 2.056 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001482137598 1183449998 /nfs/dbraw/zinc/44/99/98/1183449998.db2.gz PQOOSGQUDNUBCJ-CYBMUJFWSA-N 2 0 345.409 2.499 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CC=C(Cl)Cl ZINC001482148578 1183465757 /nfs/dbraw/zinc/46/57/57/1183465757.db2.gz LYPNJBZWEHBXGN-GFCCVEGCSA-N 2 0 336.307 2.379 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001482167767 1183494680 /nfs/dbraw/zinc/49/46/80/1183494680.db2.gz HQKDYJVJSCWMEQ-GJZGRUSLSA-N 2 0 331.451 2.250 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001482173911 1183503171 /nfs/dbraw/zinc/50/31/71/1183503171.db2.gz SMJMFVTVWAZPON-ZDUSSCGKSA-N 2 0 327.419 2.147 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/CNCc1coc(C2CC2)n1 ZINC001268627271 1183549894 /nfs/dbraw/zinc/54/98/94/1183549894.db2.gz GUHKAPDPVGWIDP-MRINAFOASA-N 2 0 346.475 2.187 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268715927 1183634916 /nfs/dbraw/zinc/63/49/16/1183634916.db2.gz UDGLZKIUWUYJJT-QWHCGFSZSA-N 2 0 341.858 2.068 10 0 EEAERP Cc1ccccc1OCCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001269272246 1184124188 /nfs/dbraw/zinc/12/41/88/1184124188.db2.gz IVVWYMWMWBDTTF-ZWKOTPCHSA-N 2 0 345.487 2.049 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001269759534 1184596525 /nfs/dbraw/zinc/59/65/25/1184596525.db2.gz DFIIVQXPWSKEIA-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)no1 ZINC001269982267 1184759898 /nfs/dbraw/zinc/75/98/98/1184759898.db2.gz VFQCTICRBMXGFL-GDBMZVCRSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2ncccc2C)CC[N@@H+]1C ZINC001482288679 1185095715 /nfs/dbraw/zinc/09/57/15/1185095715.db2.gz OPZWRVWOJIYHAE-SOLBZPMBSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482399538 1185617746 /nfs/dbraw/zinc/61/77/46/1185617746.db2.gz ZWWNNITZGYVRJG-ZWKOTPCHSA-N 2 0 349.494 2.440 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCC1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271286738 1186121025 /nfs/dbraw/zinc/12/10/25/1186121025.db2.gz WJXFNGXHGDTDGS-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H]([NH2+]CCCCCF)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271553831 1186306521 /nfs/dbraw/zinc/30/65/21/1186306521.db2.gz YRJTYCQOGDHTEU-JKSUJKDBSA-N 2 0 325.472 2.049 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001271609605 1186337633 /nfs/dbraw/zinc/33/76/33/1186337633.db2.gz QOSRKSOUKOEQAC-HZPDHXFCSA-N 2 0 348.491 2.050 10 0 EEAERP CC/C=C\CCN1CCOC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001280414868 1186375252 /nfs/dbraw/zinc/37/52/52/1186375252.db2.gz DZTMJCFXGBYUKQ-ZPUOCTKUSA-N 2 0 339.524 2.138 10 0 EEAERP COc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001482519039 1186446291 /nfs/dbraw/zinc/44/62/91/1186446291.db2.gz UKTFBXHWOGXSSW-ROUUACIJSA-N 2 0 333.476 2.020 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C)[NH+](C)C ZINC001271900785 1186596887 /nfs/dbraw/zinc/59/68/87/1186596887.db2.gz KRRZRWCLWZUOCW-CABCVRRESA-N 2 0 340.899 2.306 10 0 EEAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001482551558 1186661352 /nfs/dbraw/zinc/66/13/52/1186661352.db2.gz RLEFWYZAMBPBPE-ZBFHGGJFSA-N 2 0 345.478 2.494 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)C[C@H](OC)C1CCC1 ZINC001482651634 1187487645 /nfs/dbraw/zinc/48/76/45/1187487645.db2.gz HKAGCMAQNOMEPT-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272781720 1193496166 /nfs/dbraw/zinc/49/61/66/1193496166.db2.gz IIHYLHUINZZPBF-CQSZACIVSA-N 2 0 338.521 2.392 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001482831623 1187751621 /nfs/dbraw/zinc/75/16/21/1187751621.db2.gz AJSRESCVJMJNGI-KXBFYZLASA-N 2 0 345.487 2.021 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001482930557 1187852211 /nfs/dbraw/zinc/85/22/11/1187852211.db2.gz JDUBRQICQRUJNK-HKUYNNGSSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001483008177 1187990231 /nfs/dbraw/zinc/99/02/31/1187990231.db2.gz HNCGYBSYKBUXQD-AKDRSASISA-N 2 0 327.472 2.302 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483021422 1188010087 /nfs/dbraw/zinc/01/00/87/1188010087.db2.gz DOENLPXHGWGATF-OOFWQKGWSA-N 2 0 345.487 2.250 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC1CCOCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001483022926 1188012639 /nfs/dbraw/zinc/01/26/39/1188012639.db2.gz IODHTFRCUHPSDR-KTBRJVSMSA-N 2 0 349.519 2.082 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnc(Cl)s1 ZINC001483046170 1188254658 /nfs/dbraw/zinc/25/46/58/1188254658.db2.gz CKDBYXAQEIRDEX-OOPCZODUSA-N 2 0 342.896 2.043 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483050689 1188293974 /nfs/dbraw/zinc/29/39/74/1188293974.db2.gz JZUUYYSRNGAJOX-BDUNBXCCSA-N 2 0 325.472 2.405 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001483129085 1188610374 /nfs/dbraw/zinc/61/03/74/1188610374.db2.gz SGLMBPXPQSRNNM-UWWQBHOKSA-N 2 0 335.467 2.193 10 0 EEAERP C[C@H](C[NH2+]Cc1ccn(C2CCCC2)n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483140715 1188696793 /nfs/dbraw/zinc/69/67/93/1188696793.db2.gz NIXNUGCUEVVVKV-QAPCUYQASA-N 2 0 347.507 2.077 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001272863979 1193583880 /nfs/dbraw/zinc/58/38/80/1193583880.db2.gz DZXFTUXNGXNLDT-IUODEOHRSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)NC(=O)CCc2nccn2C)c1 ZINC001483151455 1188877263 /nfs/dbraw/zinc/87/72/63/1188877263.db2.gz HWODYOOVBVBOEL-CQSZACIVSA-N 2 0 332.423 2.095 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H](C)NC(=O)CCc1nccn1C ZINC001409390384 1189612505 /nfs/dbraw/zinc/61/25/05/1189612505.db2.gz USHRJNMFXFXPNL-CVEARBPZSA-N 2 0 328.460 2.078 10 0 EEAERP Cc1oc(-c2ccco2)nc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001409397206 1189621851 /nfs/dbraw/zinc/62/18/51/1189621851.db2.gz KMZAWJDLPDTWLY-QWHCGFSZSA-N 2 0 348.447 2.178 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001409403996 1189631405 /nfs/dbraw/zinc/63/14/05/1189631405.db2.gz URADILOZJRWMQJ-IAGOWNOFSA-N 2 0 329.488 2.340 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001409422158 1189652509 /nfs/dbraw/zinc/65/25/09/1189652509.db2.gz ORAVQVYSXKSUEO-HUUCEWRRSA-N 2 0 340.471 2.247 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1cncs1 ZINC001483359223 1190402049 /nfs/dbraw/zinc/40/20/49/1190402049.db2.gz DFEWSSHFZCEQJE-GOEBONIOSA-N 2 0 338.521 2.200 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001486085356 1193677335 /nfs/dbraw/zinc/67/73/35/1193677335.db2.gz QSFUTJDUEQHGAW-NVXWUHKLSA-N 2 0 333.476 2.034 10 0 EEAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483486973 1190506457 /nfs/dbraw/zinc/50/64/57/1190506457.db2.gz QMAAUPWAZBJKFY-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)c1cnc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001483493438 1190510600 /nfs/dbraw/zinc/51/06/00/1190510600.db2.gz YSUDEGOHEHMLNL-HNNXBMFYSA-N 2 0 336.480 2.078 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001483495989 1190512648 /nfs/dbraw/zinc/51/26/48/1190512648.db2.gz PVMMSGPFBZHHAR-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)c1 ZINC001483570853 1190560306 /nfs/dbraw/zinc/56/03/06/1190560306.db2.gz NDXOSDICEZHUBJ-RBUKOAKNSA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001483670873 1190730680 /nfs/dbraw/zinc/73/06/80/1190730680.db2.gz RZYIRAYTFSFAIA-CQSZACIVSA-N 2 0 329.435 2.097 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)c1C ZINC001483692985 1190767639 /nfs/dbraw/zinc/76/76/39/1190767639.db2.gz AHBRULGKMKAHRG-FUHWJXTLSA-N 2 0 345.487 2.036 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001272458093 1190830997 /nfs/dbraw/zinc/83/09/97/1190830997.db2.gz UXHABPAPKYIMFS-DUIXZTDISA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001272536983 1190870520 /nfs/dbraw/zinc/87/05/20/1190870520.db2.gz OCWUQHHSVZKBOZ-IRXDYDNUSA-N 2 0 341.540 2.144 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001484056395 1191184752 /nfs/dbraw/zinc/18/47/52/1191184752.db2.gz ARQQOGYBYRGPOT-FQEVSTJZSA-N 2 0 331.504 2.324 10 0 EEAERP COCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484092725 1191206933 /nfs/dbraw/zinc/20/69/33/1191206933.db2.gz BPLPPBGDZJXDLJ-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccn2)C1 ZINC001484093398 1191207538 /nfs/dbraw/zinc/20/75/38/1191207538.db2.gz HKWHTGRUVHLLCL-ICSRJNTNSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484122796 1191226535 /nfs/dbraw/zinc/22/65/35/1191226535.db2.gz VRVGBAHVSZQNOX-FXAWDEMLSA-N 2 0 344.503 2.060 10 0 EEAERP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001484413323 1191340089 /nfs/dbraw/zinc/34/00/89/1191340089.db2.gz MAOPIYGENBQAHA-OYIOLJDGSA-N 2 0 331.504 2.219 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@H]2CCCC2(F)F)CCC1 ZINC001484649257 1191455411 /nfs/dbraw/zinc/45/54/11/1191455411.db2.gz HOFCBCMTFNTZPB-CQSZACIVSA-N 2 0 331.451 2.392 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001484747461 1191505015 /nfs/dbraw/zinc/50/50/15/1191505015.db2.gz QQCBBAAUTFFHJY-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001484867505 1191560904 /nfs/dbraw/zinc/56/09/04/1191560904.db2.gz HMONYLKMUAESFM-KRWDZBQOSA-N 2 0 339.524 2.306 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCC(F)(F)F ZINC001484890944 1191563653 /nfs/dbraw/zinc/56/36/53/1191563653.db2.gz BFKKKJANUCDDRF-UONOGXRCSA-N 2 0 347.425 2.251 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001484971926 1191597071 /nfs/dbraw/zinc/59/70/71/1191597071.db2.gz JPZPGLOJGZTRLO-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001485100425 1191651940 /nfs/dbraw/zinc/65/19/40/1191651940.db2.gz AHCUAVDWAYCTOG-UHFFFAOYSA-N 2 0 337.895 2.319 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc2ncccc2c1 ZINC001485287674 1191720494 /nfs/dbraw/zinc/72/04/94/1191720494.db2.gz RSHWNHUJIFIYEM-KXBFYZLASA-N 2 0 340.471 2.266 10 0 EEAERP Cc1nocc1C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001486160559 1193706297 /nfs/dbraw/zinc/70/62/97/1193706297.db2.gz OBRARNZWEYNSKL-IEBWSBKVSA-N 2 0 348.491 2.328 10 0 EEAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CC[C@H]3CCCO3)CC2)CC1 ZINC001486518176 1194028203 /nfs/dbraw/zinc/02/82/03/1194028203.db2.gz PMJIIJJVKPPSDQ-LJQANCHMSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1ccc(OCC[NH+]2CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001409979128 1196118229 /nfs/dbraw/zinc/11/82/29/1196118229.db2.gz UJYBMADXGHMBJX-KRWDZBQOSA-N 2 0 347.503 2.151 10 0 EEAERP CC[C@@H](C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1)OC ZINC001410227095 1197617508 /nfs/dbraw/zinc/61/75/08/1197617508.db2.gz YRXMAQNDBMECML-XSLAGTTESA-N 2 0 339.524 2.159 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000872151404 1198059380 /nfs/dbraw/zinc/05/93/80/1198059380.db2.gz KMDGIJOWAOKYHF-RISCZKNCSA-N 2 0 345.365 2.093 10 0 EEAERP COC(=O)c1ccc(OC)c2c1CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000872154855 1198061398 /nfs/dbraw/zinc/06/13/98/1198061398.db2.gz ZWRRZNGFXYGUGA-CQSZACIVSA-N 2 0 332.444 2.230 10 0 EEAERP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)CCCCCC[NH3+] ZINC000872154926 1198061906 /nfs/dbraw/zinc/06/19/06/1198061906.db2.gz FLCJZWDWUCJVOJ-RDJZCZTQSA-N 2 0 333.476 2.466 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254612 1198114309 /nfs/dbraw/zinc/11/43/09/1198114309.db2.gz ARPHQKLLPZAXEO-SPUZQDLCSA-N 2 0 329.444 2.047 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)N1CC[NH+](C)CC1 ZINC000865450061 1198224853 /nfs/dbraw/zinc/22/48/53/1198224853.db2.gz KMUVTCMSWMSLLE-LBPRGKRZSA-N 2 0 349.372 2.450 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001273359396 1198308979 /nfs/dbraw/zinc/30/89/79/1198308979.db2.gz XBOBSOZSLPICJQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001410886688 1198537721 /nfs/dbraw/zinc/53/77/21/1198537721.db2.gz COYJHBCVXOWXDK-QILLFSRXSA-N 2 0 325.472 2.332 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410890285 1198545078 /nfs/dbraw/zinc/54/50/78/1198545078.db2.gz BLEABPMPLPRNDO-ICSRJNTNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001410941178 1198597546 /nfs/dbraw/zinc/59/75/46/1198597546.db2.gz KASHQQAPOZLCFE-JKSUJKDBSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001410945649 1198612060 /nfs/dbraw/zinc/61/20/60/1198612060.db2.gz QDMBKPDBPZBFDE-LSDHHAIUSA-N 2 0 338.521 2.086 10 0 EEAERP CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000825732797 1198899618 /nfs/dbraw/zinc/89/96/18/1198899618.db2.gz XYUYHYLKUOXVSD-SNAWJCMRSA-N 2 0 343.431 2.438 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C)c1 ZINC001411227254 1198937710 /nfs/dbraw/zinc/93/77/10/1198937710.db2.gz VSVOBCKTMCEGLH-SJLPKXTDSA-N 2 0 347.503 2.267 10 0 EEAERP Cc1ccccc1[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000874974698 1199090656 /nfs/dbraw/zinc/09/06/56/1199090656.db2.gz GKRRYJDWFVFOFN-KZNAEPCWSA-N 2 0 346.519 2.437 10 0 EEAERP C[N@@H+]1CCCN(c2ccc(NC(=O)CCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000870869109 1200922047 /nfs/dbraw/zinc/92/20/47/1200922047.db2.gz ZSZGSCJYALNRAN-UHFFFAOYSA-N 2 0 342.487 2.299 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868103216 1201744144 /nfs/dbraw/zinc/74/41/44/1201744144.db2.gz SBYPQFSPRHLLMO-ROUUACIJSA-N 2 0 336.524 2.234 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21)C12CC[NH+](CC1)C2 ZINC001274508233 1205062711 /nfs/dbraw/zinc/06/27/11/1205062711.db2.gz HGWJUOXICQVSRS-ZMXQLYDGSA-N 2 0 343.446 2.171 10 0 EEAERP C[C@H](C[NH2+]CCCC1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001274944163 1205215229 /nfs/dbraw/zinc/21/52/29/1205215229.db2.gz RHMUDEHPMLBIOZ-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001275310103 1205305331 /nfs/dbraw/zinc/30/53/31/1205305331.db2.gz ZYLOJHLEZSDHGP-ZDUSSCGKSA-N 2 0 340.899 2.307 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CCC[NH+]3CCC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001411706108 1205494354 /nfs/dbraw/zinc/49/43/54/1205494354.db2.gz KTTVUIYMTJLRAJ-OTWHNJEPSA-N 2 0 327.472 2.029 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccns2)CC1 ZINC001280768717 1205597917 /nfs/dbraw/zinc/59/79/17/1205597917.db2.gz BNGHOKWSPMNMEY-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924646095 1206010055 /nfs/dbraw/zinc/01/00/55/1206010055.db2.gz KAPDPSKGRKWTLN-KXTWHKPSSA-N 2 0 345.531 2.455 10 0 EEAERP O[C@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000924757989 1206028035 /nfs/dbraw/zinc/02/80/35/1206028035.db2.gz RWOMTLVEFIZMMH-LEWJYISDSA-N 2 0 339.483 2.282 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1cccc(F)c1 ZINC000925505543 1206121016 /nfs/dbraw/zinc/12/10/16/1206121016.db2.gz SXUIZANOCPJGJJ-NZSAHSFTSA-N 2 0 336.451 2.323 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C12CCC2 ZINC000925566851 1206129139 /nfs/dbraw/zinc/12/91/39/1206129139.db2.gz GZRPOEMKXKGEKF-CFVMTHIKSA-N 2 0 344.377 2.305 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C12CCC2 ZINC000925591778 1206132948 /nfs/dbraw/zinc/13/29/48/1206132948.db2.gz AXLPSVWDZKWTFO-MOPGFXCFSA-N 2 0 341.499 2.470 10 0 EEAERP 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C[C@@H](CCC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001330977147 1334939560 /nfs/dbraw/zinc/93/95/60/1334939560.db2.gz OVVHNIWNKUGDPG-WMZOPIPTSA-N 2 0 346.519 2.079 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806218 1335646289 /nfs/dbraw/zinc/64/62/89/1335646289.db2.gz WSFJSCZXKWLPFF-SJORKVTESA-N 2 0 341.540 2.142 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001332047711 1335713000 /nfs/dbraw/zinc/71/30/00/1335713000.db2.gz JGHAOFWARFNNJJ-GJZGRUSLSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccc([C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849095040 1338837242 /nfs/dbraw/zinc/83/72/42/1338837242.db2.gz VOHGEPZRYRPMSN-FUHWJXTLSA-N 2 0 330.476 2.377 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+]2CC[C@H](F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001433993913 1341740033 /nfs/dbraw/zinc/74/00/33/1341740033.db2.gz PTSIBTLUQDPMLU-MJGOQNOKSA-N 2 0 347.478 2.401 10 0 EEAERP Cc1cncn1CC(=O)N(C)C[C@@H]1CCN1Cc1cc(C)ccc1F ZINC001436312246 1342020178 /nfs/dbraw/zinc/02/01/78/1342020178.db2.gz JGLIDFSNMHVQLU-KRWDZBQOSA-N 2 0 344.434 2.372 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500273233 1342126638 /nfs/dbraw/zinc/12/66/38/1342126638.db2.gz STJRYVFSGXHPHG-ZMBJWTFHSA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCCCF)CC2)[NH+](C)C ZINC001566693683 1342604940 /nfs/dbraw/zinc/60/49/40/1342604940.db2.gz WHZINYOYUCTYHJ-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001567138659 1342700569 /nfs/dbraw/zinc/70/05/69/1342700569.db2.gz LPWVIRWBCLNLRA-FUKWUPMWSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176053 1342705214 /nfs/dbraw/zinc/70/52/14/1342705214.db2.gz HKHMGSAUBHEBEE-CVEARBPZSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567591064 1342789342 /nfs/dbraw/zinc/78/93/42/1342789342.db2.gz VISQDOHTBMIDNJ-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cn(C(C)C)nc1C ZINC001567611783 1342794291 /nfs/dbraw/zinc/79/42/91/1342794291.db2.gz UVBMNAIAPIYOOW-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571542496 1343233065 /nfs/dbraw/zinc/23/30/65/1343233065.db2.gz PCRJFVJNGWZSKM-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001676423655 1357148944 /nfs/dbraw/zinc/14/89/44/1357148944.db2.gz IUWOOUTTXLCVIY-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@H]1C ZINC001676695825 1357182562 /nfs/dbraw/zinc/18/25/62/1357182562.db2.gz ZUAIOBSPWAUZMJ-HIFRSBDPSA-N 2 0 338.883 2.154 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001676975161 1357253359 /nfs/dbraw/zinc/25/33/59/1357253359.db2.gz NYUCECPCRIWXLZ-SJLPKXTDSA-N 2 0 347.478 2.339 10 0 EEAERP CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001677371697 1357322737 /nfs/dbraw/zinc/32/27/37/1357322737.db2.gz KUPZXOOMGOVRFN-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCc2ccsc2)C1 ZINC001677445566 1357332748 /nfs/dbraw/zinc/33/27/48/1357332748.db2.gz WCBHAPZGBROAPG-GTPINHCMSA-N 2 0 335.517 2.211 10 0 EEAERP CN(CCOCC[NH2+]CCC(C)(C)C)C(=O)C12CCC[NH+]1CCC2 ZINC001677496869 1357340563 /nfs/dbraw/zinc/34/05/63/1357340563.db2.gz GJLOCJWRXZHBPV-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CCc3ccccc3)CC2)C1 ZINC001677620650 1357374668 /nfs/dbraw/zinc/37/46/68/1357374668.db2.gz FNOBOBDHWCPPCH-HXUWFJFHSA-N 2 0 341.499 2.319 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(F)cc1 ZINC001647113805 1353149129 /nfs/dbraw/zinc/14/91/29/1353149129.db2.gz CKNOVJLFLCEGCB-SZMVWBNQSA-N 2 0 346.450 2.107 10 0 EEAERP O=C([C@@H]1CCCCN1Cc1cccnc1)N1CCC([NH+]2CCC2)CC1 ZINC001650031563 1353694274 /nfs/dbraw/zinc/69/42/74/1353694274.db2.gz DPKPITOCDWNVAH-IBGZPJMESA-N 2 0 342.487 2.133 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001656447298 1354237723 /nfs/dbraw/zinc/23/77/23/1354237723.db2.gz GHDKNGPYDSJJQR-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)no1 ZINC001656453533 1354239503 /nfs/dbraw/zinc/23/95/03/1354239503.db2.gz NJMHQJYOPSBHKZ-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CCOCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001656871176 1354288888 /nfs/dbraw/zinc/28/88/88/1354288888.db2.gz LQTZHAREVVFLRU-SFHVURJKSA-N 2 0 345.503 2.016 10 0 EEAERP COCCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001656905512 1354298015 /nfs/dbraw/zinc/29/80/15/1354298015.db2.gz ZOFJHTMHMUSDMU-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP c1nnn(-c2ccccc2)c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001658755677 1354365491 /nfs/dbraw/zinc/36/54/91/1354365491.db2.gz FOOSSCJRDVLXFM-UHFFFAOYSA-N 2 0 334.427 2.421 10 0 EEAERP CCOCC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001660223921 1354420835 /nfs/dbraw/zinc/42/08/35/1354420835.db2.gz KNOCIMKDZMWGKP-HSALFYBXSA-N 2 0 332.488 2.228 10 0 EEAERP Cc1nsc(C)c1C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001660291116 1354432051 /nfs/dbraw/zinc/43/20/51/1354432051.db2.gz LIFKZZJBVIMDHX-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)on1 ZINC001660413608 1354461223 /nfs/dbraw/zinc/46/12/23/1354461223.db2.gz JRAAKGVBWCDURF-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001660665721 1354512670 /nfs/dbraw/zinc/51/26/70/1354512670.db2.gz MCQUIFGKZZDADM-QFBILLFUSA-N 2 0 345.487 2.049 10 0 EEAERP O=C(NCCC[N@H+](Cc1cncs1)C1CC1)C12CCC[NH+]1CCC2 ZINC001660699558 1354519653 /nfs/dbraw/zinc/51/96/53/1354519653.db2.gz HXSJSRAEHWUHDM-UHFFFAOYSA-N 2 0 348.516 2.242 10 0 EEAERP CC1CC(C[N@H+](CCCNC(=O)[C@@]23CC[NH+](C2)CCC3)C2CC2)C1 ZINC001660749077 1354530568 /nfs/dbraw/zinc/53/05/68/1354530568.db2.gz HVHFJKBIDJPLDN-UHYCVJNDSA-N 2 0 333.520 2.489 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC/C=C/c3ccccc3)C2)C1 ZINC001661375055 1354632435 /nfs/dbraw/zinc/63/24/35/1354632435.db2.gz SSRUQAPZRXEWRF-FQMXMGHCSA-N 2 0 327.472 2.232 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCCOC)CC[C@@H]21 ZINC001661554889 1354657275 /nfs/dbraw/zinc/65/72/75/1354657275.db2.gz HRLJZRFDUFSAMI-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCOc3ccccc3)C2)C1 ZINC001661685912 1354672027 /nfs/dbraw/zinc/67/20/27/1354672027.db2.gz BOECDZWUHYLDME-KURKYZTESA-N 2 0 345.487 2.034 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001662761631 1354841140 /nfs/dbraw/zinc/84/11/40/1354841140.db2.gz ZOJGAIPOKMORSE-IAGOWNOFSA-N 2 0 339.524 2.304 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001663113348 1354918008 /nfs/dbraw/zinc/91/80/08/1354918008.db2.gz AWOIRPDOMYBZQF-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664008259 1355073054 /nfs/dbraw/zinc/07/30/54/1355073054.db2.gz FEIHNKJKUIATJV-RTBURBONSA-N 2 0 329.488 2.294 10 0 EEAERP COCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457926 1355169464 /nfs/dbraw/zinc/16/94/64/1355169464.db2.gz WLTGMVIJXNVJPE-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@@H]1CCOC1 ZINC001664516705 1355184466 /nfs/dbraw/zinc/18/44/66/1355184466.db2.gz KHXVVTCIKAGRSU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001665871283 1355402952 /nfs/dbraw/zinc/40/29/52/1355402952.db2.gz GJPBZFLSTQGDCH-ZIAGYGMSSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001666245035 1355493794 /nfs/dbraw/zinc/49/37/94/1355493794.db2.gz NTDOOEGERWAHAM-OAHLLOKOSA-N 2 0 348.491 2.043 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001667203861 1355672891 /nfs/dbraw/zinc/67/28/91/1355672891.db2.gz MIYGXYKNGVADKA-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001667302099 1355703982 /nfs/dbraw/zinc/70/39/82/1355703982.db2.gz PTVFMNOBCSYTDG-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001667441439 1355742840 /nfs/dbraw/zinc/74/28/40/1355742840.db2.gz YMDFNSJFZBFFHP-GJZGRUSLSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2)ccc2c[nH+]cn21 ZINC001668118327 1355876972 /nfs/dbraw/zinc/87/69/72/1355876972.db2.gz RNTQHVXCMALFCO-AWEZNQCLSA-N 2 0 337.427 2.336 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)oc1C ZINC001668319120 1355922592 /nfs/dbraw/zinc/92/25/92/1355922592.db2.gz DLAYAPYOISXZBX-AWEZNQCLSA-N 2 0 336.480 2.152 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834195 1356016306 /nfs/dbraw/zinc/01/63/06/1356016306.db2.gz SQJXVEGSSGMCJI-ZZVGAVDSSA-N 2 0 345.487 2.358 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccnc2C)C1 ZINC001668995026 1356062703 /nfs/dbraw/zinc/06/27/03/1356062703.db2.gz GIHAUBXPCNGEKV-VZSQWMKGSA-N 2 0 344.503 2.274 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001669038902 1356074242 /nfs/dbraw/zinc/07/42/42/1356074242.db2.gz GWJVHYVGNTYXNY-INQOVCNISA-N 2 0 343.462 2.416 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001669045930 1356076133 /nfs/dbraw/zinc/07/61/33/1356076133.db2.gz NRKYXKIZXPMTCI-MUHKLVGJSA-N 2 0 331.451 2.414 10 0 EEAERP C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccns1)[NH+]1CCCCCC1 ZINC001669075167 1356084790 /nfs/dbraw/zinc/08/47/90/1356084790.db2.gz LQNJJBSNZZSYQF-RGDDUWESSA-N 2 0 336.505 2.170 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001669074970 1356084887 /nfs/dbraw/zinc/08/48/87/1356084887.db2.gz HPJAYUQBBQIDER-XFHJGTJQSA-N 2 0 344.503 2.417 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001669603180 1356181349 /nfs/dbraw/zinc/18/13/49/1356181349.db2.gz AZJIMGZIVYZLQN-HQWZXOHUSA-N 2 0 327.472 2.423 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001670129684 1356281575 /nfs/dbraw/zinc/28/15/75/1356281575.db2.gz COMPBVOHPTWNIT-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001673288481 1356661963 /nfs/dbraw/zinc/66/19/63/1356661963.db2.gz LLHKONQVSLDZOY-QGZVFWFLSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C)o1 ZINC001673933902 1356762910 /nfs/dbraw/zinc/76/29/10/1356762910.db2.gz QNMLHPPKTGVHGS-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001675812694 1357051021 /nfs/dbraw/zinc/05/10/21/1357051021.db2.gz BGUZWTJIIZIWEK-IYARVYRRSA-N 2 0 349.519 2.082 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001675914484 1357068513 /nfs/dbraw/zinc/06/85/13/1357068513.db2.gz DRYOKAOTHUFMRG-HNNXBMFYSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001675972950 1357079836 /nfs/dbraw/zinc/07/98/36/1357079836.db2.gz CJPACFBMLNCOIV-RDJZCZTQSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1CCC[NH2+]CCF ZINC001691891575 1404957187 /nfs/dbraw/zinc/95/71/87/1404957187.db2.gz VKSDKQPEWCDWFD-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001698838945 1405100666 /nfs/dbraw/zinc/10/06/66/1405100666.db2.gz GTGHASSTJMPVGC-LPHOPBHVSA-N 2 0 331.504 2.322 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699107774 1405263281 /nfs/dbraw/zinc/26/32/81/1405263281.db2.gz WSFIBHPSQWJDDZ-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699139959 1405291010 /nfs/dbraw/zinc/29/10/10/1405291010.db2.gz CAZSYTJWHHZILH-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001699444102 1405359080 /nfs/dbraw/zinc/35/90/80/1405359080.db2.gz WXFWYWKDOCMSGS-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1c(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)ccc2c[nH+]cn21 ZINC001699841012 1405520293 /nfs/dbraw/zinc/52/02/93/1405520293.db2.gz CZYWJKYAEDGWNA-SFHVURJKSA-N 2 0 332.423 2.444 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699950692 1405599020 /nfs/dbraw/zinc/59/90/20/1405599020.db2.gz PBRFAHVZWLAASS-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000918807521 769401909 /nfs/dbraw/zinc/40/19/09/769401909.db2.gz HJBWXYIVEPSLNQ-BPQIPLTHSA-N 2 0 330.476 2.043 10 0 EEAERP C[NH+](C)C1CC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000819679966 785641622 /nfs/dbraw/zinc/64/16/22/785641622.db2.gz IYXHISWUXZQYSU-ZLPCBKJTSA-N 2 0 333.451 2.247 10 0 EEAERP C[C@H]1CN(CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)CO1 ZINC000912391963 788156296 /nfs/dbraw/zinc/15/62/96/788156296.db2.gz OSTPMKLSVYUCKV-GJZGRUSLSA-N 2 0 344.459 2.130 10 0 EEAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CN(Cc3ccccc3)C(C)(C)C1)CC2 ZINC000922991521 788509110 /nfs/dbraw/zinc/50/91/10/788509110.db2.gz IGDODKYCRWLICZ-SJORKVTESA-N 2 0 339.487 2.315 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711342511 788726197 /nfs/dbraw/zinc/72/61/97/788726197.db2.gz MKCOLTRYXJGBRO-BPQIPLTHSA-N 2 0 329.488 2.259 10 0 EEAERP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000913398125 788838772 /nfs/dbraw/zinc/83/87/72/788838772.db2.gz DXCNFPDIZSXRJY-SFHVURJKSA-N 2 0 344.503 2.236 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925341171 788969191 /nfs/dbraw/zinc/96/91/91/788969191.db2.gz GDHCELNQQPQOSF-SZVBFZGTSA-N 2 0 330.476 2.043 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000923327702 789371238 /nfs/dbraw/zinc/37/12/38/789371238.db2.gz HJAVSEKVVRSSBX-MBOZVWFJSA-N 2 0 348.487 2.289 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000923346215 789423846 /nfs/dbraw/zinc/42/38/46/789423846.db2.gz WCQQVSDVNRIDCH-SLFFLAALSA-N 2 0 332.488 2.464 10 0 EEAERP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000923375593 789457854 /nfs/dbraw/zinc/45/78/54/789457854.db2.gz BNHZKDQTJVJXIO-AEFFLSMTSA-N 2 0 345.487 2.494 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000923431951 789543433 /nfs/dbraw/zinc/54/34/33/789543433.db2.gz UDKQPGJIWLTTSK-MCIONIFRSA-N 2 0 346.393 2.362 10 0 EEAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447969 789560601 /nfs/dbraw/zinc/56/06/01/789560601.db2.gz YVBIIKYDDXEFOW-JFIYKMOQSA-N 2 0 345.487 2.082 10 0 EEAERP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455351 789571453 /nfs/dbraw/zinc/57/14/53/789571453.db2.gz LEVUVPRGKWVRHA-JKSUJKDBSA-N 2 0 331.460 2.152 10 0 EEAERP Cc1ccc2c(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)cc(=O)oc2c1 ZINC000923451865 789583647 /nfs/dbraw/zinc/58/36/47/789583647.db2.gz QITMAAYEMVNWES-INIZCTEOSA-N 2 0 342.439 2.431 10 0 EEAERP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000923495217 789652331 /nfs/dbraw/zinc/65/23/31/789652331.db2.gz ABOISXCDYRNYBB-TZMCWYRMSA-N 2 0 343.427 2.168 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923500638 789684795 /nfs/dbraw/zinc/68/47/95/789684795.db2.gz QHVSAWFWUDMJJK-NEPJUHHUSA-N 2 0 329.897 2.277 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549545 789763262 /nfs/dbraw/zinc/76/32/62/789763262.db2.gz LIVHBSSWCPWXCI-AABGKKOBSA-N 2 0 332.488 2.056 10 0 EEAERP C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000913939946 794622351 /nfs/dbraw/zinc/62/23/51/794622351.db2.gz QDTHSUSVCBBQCU-MAUKXSAKSA-N 2 0 330.476 2.174 10 0 EEAERP CCO[C@H](CNCc1cc(Cl)c(OC)c(OC)c1)C[NH+](C)C ZINC000922762170 801836552 /nfs/dbraw/zinc/83/65/52/801836552.db2.gz VDLPAECTEQBELO-CYBMUJFWSA-N 2 0 330.856 2.414 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000792544613 809793111 /nfs/dbraw/zinc/79/31/11/809793111.db2.gz JCMACNQAAKOONA-UHFFFAOYSA-N 2 0 347.425 2.392 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001566516622 1125689629 /nfs/dbraw/zinc/68/96/29/1125689629.db2.gz RQRBVEMOKURCNS-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001436400916 1087748387 /nfs/dbraw/zinc/74/83/87/1087748387.db2.gz CUJXTNVGDPJGFH-JFIYKMOQSA-N 2 0 345.487 2.336 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]C/C(Cl)=C\Cl)C2CC2)C1 ZINC001436814177 1088403948 /nfs/dbraw/zinc/40/39/48/1088403948.db2.gz XAZYVVOUOOFZFA-NTNLBYLVSA-N 2 0 334.291 2.132 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](C/C=C/Cl)CC[C@@H]32)CC1 ZINC001436946124 1088626496 /nfs/dbraw/zinc/62/64/96/1088626496.db2.gz QXZGKHJRDHRKPK-VVXZVVLWSA-N 2 0 339.911 2.394 10 0 EEAERP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001436957210 1088645989 /nfs/dbraw/zinc/64/59/89/1088645989.db2.gz XAMMRMWKEQZLKV-KSZLIROESA-N 2 0 345.487 2.306 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001437047488 1088930533 /nfs/dbraw/zinc/93/05/33/1088930533.db2.gz BREXXJFTBIQKSI-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001437131340 1089118995 /nfs/dbraw/zinc/11/89/95/1089118995.db2.gz ODOGZXNRRHZYIW-MGPUTAFESA-N 2 0 341.499 2.111 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437260686 1089403043 /nfs/dbraw/zinc/40/30/43/1089403043.db2.gz JDASPFYDDZPOIV-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP C[N@H+](CCC(F)(F)F)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001437341016 1089539509 /nfs/dbraw/zinc/53/95/09/1089539509.db2.gz STNLBHJGOINQEX-LSDHHAIUSA-N 2 0 347.425 2.203 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@H](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001437369304 1089607353 /nfs/dbraw/zinc/60/73/53/1089607353.db2.gz AINPSNMMEOVSEF-ZBFHGGJFSA-N 2 0 348.491 2.124 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](C[C@H]2CCC(F)(F)C2)C2CC2)C1 ZINC001437818566 1090412556 /nfs/dbraw/zinc/41/25/56/1090412556.db2.gz VMNKLGKJMZWVFR-GJZGRUSLSA-N 2 0 343.462 2.344 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCc3ccccc32)C1 ZINC001437820578 1090413627 /nfs/dbraw/zinc/41/36/27/1090413627.db2.gz PUSDJVCZKPSXDD-VQIMIIECSA-N 2 0 327.472 2.206 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437990260 1090587483 /nfs/dbraw/zinc/58/74/83/1090587483.db2.gz MNKKNPCLFAGWRJ-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCC(=O)NC1C[NH+](CC2CCC(C(F)(F)F)CC2)C1 ZINC001438076660 1090630098 /nfs/dbraw/zinc/63/00/98/1090630098.db2.gz MHCNHMNAIKSOJT-UHFFFAOYSA-N 2 0 335.414 2.107 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001438126478 1090652467 /nfs/dbraw/zinc/65/24/67/1090652467.db2.gz APWDSVMIVSCBNQ-GDBMZVCRSA-N 2 0 343.462 2.344 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001438250854 1090733972 /nfs/dbraw/zinc/73/39/72/1090733972.db2.gz WLQCOGATADWQBL-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnoc1C ZINC001438313892 1090792207 /nfs/dbraw/zinc/79/22/07/1090792207.db2.gz UADAEWLWDYDHTM-AEFFLSMTSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001438430605 1090929493 /nfs/dbraw/zinc/92/94/93/1090929493.db2.gz BTFWTEUCQNGBOR-FXAWDEMLSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nsc2ccccc12 ZINC001438522420 1091014933 /nfs/dbraw/zinc/01/49/33/1091014933.db2.gz SBELWJVYXPUYIS-ZDUSSCGKSA-N 2 0 334.489 2.090 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001438707841 1091220460 /nfs/dbraw/zinc/22/04/60/1091220460.db2.gz HOWDAZOXWZFBKC-FUHWJXTLSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001438738677 1091288870 /nfs/dbraw/zinc/28/88/70/1091288870.db2.gz YAAMEDZVSAVSEW-LSDHHAIUSA-N 2 0 338.521 2.024 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccn1)C(C)C ZINC001438795887 1091401057 /nfs/dbraw/zinc/40/10/57/1091401057.db2.gz DJZBIVSGJDDIML-QZTJIDSGSA-N 2 0 332.492 2.186 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1ccccc1F ZINC001438810469 1091425419 /nfs/dbraw/zinc/42/54/19/1091425419.db2.gz KXUSSGZLXUSGKV-SUMDDJOVSA-N 2 0 349.494 2.439 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438847912 1091485895 /nfs/dbraw/zinc/48/58/95/1091485895.db2.gz QBCOVFAJXMJLAS-CVEARBPZSA-N 2 0 348.491 2.042 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001438935315 1091619194 /nfs/dbraw/zinc/61/91/94/1091619194.db2.gz BSNGNKLMQBMQOV-MRXNPFEDSA-N 2 0 333.476 2.242 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001438956386 1091647418 /nfs/dbraw/zinc/64/74/18/1091647418.db2.gz CHPZRHKCNOIPGC-YPMHNXCESA-N 2 0 344.912 2.123 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001438956378 1091647619 /nfs/dbraw/zinc/64/76/19/1091647619.db2.gz CHPZRHKCNOIPGC-DGCLKSJQSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439234162 1091879935 /nfs/dbraw/zinc/87/99/35/1091879935.db2.gz BANZSTRSZCUBJZ-MAUKXSAKSA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001445989251 1091958990 /nfs/dbraw/zinc/95/89/90/1091958990.db2.gz HRASDZHPQDNDTF-ZWKOTPCHSA-N 2 0 332.492 2.023 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001446251813 1092377523 /nfs/dbraw/zinc/37/75/23/1092377523.db2.gz AIVNIKSPZGDZMO-INIZCTEOSA-N 2 0 345.487 2.097 10 0 EEAERP CCc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001446269512 1092417981 /nfs/dbraw/zinc/41/79/81/1092417981.db2.gz YFGYJOMPVRKILP-SFHVURJKSA-N 2 0 329.488 2.329 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300976 1092469332 /nfs/dbraw/zinc/46/93/32/1092469332.db2.gz ZUWSUPOPHBDSFU-AEFFLSMTSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439580218 1092477687 /nfs/dbraw/zinc/47/76/87/1092477687.db2.gz ZMGDHWVNGPQQQI-UYAOXDASSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@](C)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001439943809 1093049846 /nfs/dbraw/zinc/04/98/46/1093049846.db2.gz AULKSLWGSLQABD-APWZRJJASA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001440123850 1093184721 /nfs/dbraw/zinc/18/47/21/1093184721.db2.gz NHILLOVLWLFJEV-DZGCQCFKSA-N 2 0 331.451 2.199 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193165 1093259942 /nfs/dbraw/zinc/25/99/42/1093259942.db2.gz ZDGFEPWSBWUFGS-XLIONFOSSA-N 2 0 347.503 2.033 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001440241456 1093328830 /nfs/dbraw/zinc/32/88/30/1093328830.db2.gz JHJUUGQGDKBQFY-AEFFLSMTSA-N 2 0 333.520 2.441 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)nsc2C)C1)[NH+](C)C ZINC001440302138 1093428512 /nfs/dbraw/zinc/42/85/12/1093428512.db2.gz HYZGYJHLZLJYQY-LZWOXQAQSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001440313421 1093445361 /nfs/dbraw/zinc/44/53/61/1093445361.db2.gz LCHNTHJCJLGLOJ-ADAWSYLGSA-N 2 0 348.466 2.078 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCOC(C)C ZINC001440453014 1093664362 /nfs/dbraw/zinc/66/43/62/1093664362.db2.gz NOFZJGJCMWWSQV-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001440529019 1093785161 /nfs/dbraw/zinc/78/51/61/1093785161.db2.gz HQEBYSVQWQCWLW-HZPDHXFCSA-N 2 0 325.472 2.334 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001448780352 1093860540 /nfs/dbraw/zinc/86/05/40/1093860540.db2.gz YORPIPOHJRYEPA-WBVHZDCISA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](C[C@@H]1CCCCO1)CC2 ZINC001449006357 1094006595 /nfs/dbraw/zinc/00/65/95/1094006595.db2.gz CTRSGKAYUKNAOP-LNLFQRSKSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001449055745 1094071582 /nfs/dbraw/zinc/07/15/82/1094071582.db2.gz XJMGFAUOWNPZJS-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)C1 ZINC001449078101 1094092347 /nfs/dbraw/zinc/09/23/47/1094092347.db2.gz AXAURAJJAOZQME-QWHCGFSZSA-N 2 0 335.414 2.107 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC001449094310 1094105028 /nfs/dbraw/zinc/10/50/28/1094105028.db2.gz XIPLAYUNVYABJG-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)s1 ZINC001440858248 1094119425 /nfs/dbraw/zinc/11/94/25/1094119425.db2.gz JQNMHRUUBGCHSF-UHFFFAOYSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1sccc1Cl ZINC001440859890 1094121998 /nfs/dbraw/zinc/12/19/98/1094121998.db2.gz OYOUXQQSSPXTBJ-NWDGAFQWSA-N 2 0 329.897 2.480 10 0 EEAERP Cc1cccnc1C[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440880801 1094139402 /nfs/dbraw/zinc/13/94/02/1094139402.db2.gz AMZOXLYNTXSTPH-QGZVFWFLSA-N 2 0 346.519 2.306 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001449400595 1094380268 /nfs/dbraw/zinc/38/02/68/1094380268.db2.gz JOQIFFJFODQVFI-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cccc(CCC[NH+]2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001441173098 1094527243 /nfs/dbraw/zinc/52/72/43/1094527243.db2.gz BIUAQLYQQDQTRZ-QGZVFWFLSA-N 2 0 331.504 2.316 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001441256193 1094653982 /nfs/dbraw/zinc/65/39/82/1094653982.db2.gz NXPNXOWFEPKZAF-LJQANCHMSA-N 2 0 343.515 2.454 10 0 EEAERP COc1ccc(C[NH2+][C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001441257871 1094657095 /nfs/dbraw/zinc/65/70/95/1094657095.db2.gz PQAPBPRJYDICTR-QFBILLFUSA-N 2 0 345.487 2.021 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001441322749 1094778531 /nfs/dbraw/zinc/77/85/31/1094778531.db2.gz PUNYMNWWXOHFLN-OWZKRDHZSA-N 2 0 341.499 2.357 10 0 EEAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001441366478 1094892822 /nfs/dbraw/zinc/89/28/22/1094892822.db2.gz QRGRZNLJMSMHHC-IIDMSEBBSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001441388324 1094942830 /nfs/dbraw/zinc/94/28/30/1094942830.db2.gz ZXYRSYYNZDWKJQ-BZSNNMDCSA-N 2 0 330.476 2.001 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001441403532 1094974546 /nfs/dbraw/zinc/97/45/46/1094974546.db2.gz MREPMWGYHZEOEK-CABCVRRESA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001441621834 1095492296 /nfs/dbraw/zinc/49/22/96/1095492296.db2.gz OQJZKJAXJKLVJB-OAHLLOKOSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC(F)(F)C2)[C@H]1C ZINC001441889809 1096024660 /nfs/dbraw/zinc/02/46/60/1096024660.db2.gz BOARLFYUIDZBOY-ZFWWWQNUSA-N 2 0 331.451 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001442220114 1096515700 /nfs/dbraw/zinc/51/57/00/1096515700.db2.gz BXXHDQSZXMWFOD-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001442221274 1096516755 /nfs/dbraw/zinc/51/67/55/1096516755.db2.gz VREREENINJUOTE-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CCc1ccc(CC[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001442248833 1096550081 /nfs/dbraw/zinc/55/00/81/1096550081.db2.gz FPMQFGXJPYLBNZ-UHFFFAOYSA-N 2 0 331.504 2.322 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H]1CCc2ccccc2C1 ZINC001442742455 1097117313 /nfs/dbraw/zinc/11/73/13/1097117313.db2.gz CJEMTZVVBBXVLA-PXNSSMCTSA-N 2 0 343.515 2.181 10 0 EEAERP CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443097141 1097511840 /nfs/dbraw/zinc/51/18/40/1097511840.db2.gz HHTDEKHZWHNWAR-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001443225314 1097682049 /nfs/dbraw/zinc/68/20/49/1097682049.db2.gz WZOBBKWHBVFKCD-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001443234310 1097697556 /nfs/dbraw/zinc/69/75/56/1097697556.db2.gz BUCMMOOMEMJNBV-DLBZAZTESA-N 2 0 347.507 2.016 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001443810876 1098305110 /nfs/dbraw/zinc/30/51/10/1098305110.db2.gz LOCVEXKSCONZOV-SJORKVTESA-N 2 0 332.492 2.414 10 0 EEAERP CC[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001443990653 1098505551 /nfs/dbraw/zinc/50/55/51/1098505551.db2.gz VGOYDGDSLAYJAJ-CRAIPNDOSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001479494067 1098564750 /nfs/dbraw/zinc/56/47/50/1098564750.db2.gz GGMYAEXXBKBZTA-DLBZAZTESA-N 2 0 349.523 2.179 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC1CC1 ZINC001479619212 1098644500 /nfs/dbraw/zinc/64/45/00/1098644500.db2.gz XNTJVISLMDSTMC-OKYOBFRVSA-N 2 0 333.520 2.297 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001444134856 1098672792 /nfs/dbraw/zinc/67/27/92/1098672792.db2.gz FMPJAYOAXMRQOK-YLJYHZDGSA-N 2 0 344.503 2.025 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1 ZINC001479670001 1098717236 /nfs/dbraw/zinc/71/72/36/1098717236.db2.gz OYXCTBWDSRDWBL-MOPGFXCFSA-N 2 0 347.478 2.388 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)[C@@H]1C ZINC001479707980 1098783867 /nfs/dbraw/zinc/78/38/67/1098783867.db2.gz SGCLVEZLMNSIJC-UPJWGTAASA-N 2 0 341.393 2.198 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCc1ccc(F)c(F)c1 ZINC001479762172 1098924776 /nfs/dbraw/zinc/92/47/76/1098924776.db2.gz JQTHFNCWHHPPCY-KRWDZBQOSA-N 2 0 339.430 2.040 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)CCOC2CCC2)ccc2c[nH+]cn21 ZINC001479781886 1098971950 /nfs/dbraw/zinc/97/19/50/1098971950.db2.gz ZODSFWJBFKTKBQ-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)C[NH+]2CCC(C)CC2)s1 ZINC001479804184 1099041734 /nfs/dbraw/zinc/04/17/34/1099041734.db2.gz PUBBLKMPUCQCCU-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(F)ccc1F ZINC001479839490 1099125401 /nfs/dbraw/zinc/12/54/01/1099125401.db2.gz SPJGFDIZDDRGBU-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1cccnc1)C1CC1 ZINC001479868658 1099203206 /nfs/dbraw/zinc/20/32/06/1099203206.db2.gz JPRGAARLULVVEV-LJQANCHMSA-N 2 0 344.503 2.425 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001444633654 1099459974 /nfs/dbraw/zinc/45/99/74/1099459974.db2.gz OWOHIQIJSPTYEG-RDTXWAMCSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CCCCC2)on1 ZINC001444793832 1099706144 /nfs/dbraw/zinc/70/61/44/1099706144.db2.gz STJHYFOAYFKZIM-GOSISDBHSA-N 2 0 348.491 2.234 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001480145305 1099712943 /nfs/dbraw/zinc/71/29/43/1099712943.db2.gz VLUBFJWMHKUKTQ-TVFCKZIOSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)co1 ZINC001444820937 1099756032 /nfs/dbraw/zinc/75/60/32/1099756032.db2.gz RALNRPVKHMWFGV-GOEBONIOSA-N 2 0 336.480 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)o2)C1 ZINC001480220655 1099837756 /nfs/dbraw/zinc/83/77/56/1099837756.db2.gz OQOSHTWMOPVYQW-IYBDPMFKSA-N 2 0 342.443 2.030 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC(F)(F)F ZINC001444880257 1099900297 /nfs/dbraw/zinc/90/02/97/1099900297.db2.gz ZOAPGNRGCBPACU-UONOGXRCSA-N 2 0 335.414 2.011 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444883731 1099909934 /nfs/dbraw/zinc/90/99/34/1099909934.db2.gz GIWYZAGFPOWRKY-IRXDYDNUSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480292721 1100006095 /nfs/dbraw/zinc/00/60/95/1100006095.db2.gz VOIBVZPIGKWSIQ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001480293377 1100006238 /nfs/dbraw/zinc/00/62/38/1100006238.db2.gz OAIMDYFGCUNHJX-DLBZAZTESA-N 2 0 327.488 2.296 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001480303205 1100021739 /nfs/dbraw/zinc/02/17/39/1100021739.db2.gz QLIKKDNTDRJDNI-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CN(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001444993137 1100125993 /nfs/dbraw/zinc/12/59/93/1100125993.db2.gz JQTPTLKEUKGLBP-HZPDHXFCSA-N 2 0 343.462 2.439 10 0 EEAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001480528113 1100358274 /nfs/dbraw/zinc/35/82/74/1100358274.db2.gz URRZCPWMZOSOBD-SJCJKPOMSA-N 2 0 339.430 2.388 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001480571792 1100415574 /nfs/dbraw/zinc/41/55/74/1100415574.db2.gz MERPJDBWYQLIDY-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1cnc(C)cn1)C(=O)CC1CC[NH+](C)CC1 ZINC001445303314 1100534343 /nfs/dbraw/zinc/53/43/43/1100534343.db2.gz DGAJYSJAMWJOFO-INIZCTEOSA-N 2 0 347.507 2.016 10 0 EEAERP C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445325802 1100561868 /nfs/dbraw/zinc/56/18/68/1100561868.db2.gz OVONZFVDCRPDQY-CABCVRRESA-N 2 0 333.451 2.467 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001496262483 1100833566 /nfs/dbraw/zinc/83/35/66/1100833566.db2.gz URLATSULMKQSBG-HKUYNNGSSA-N 2 0 347.503 2.410 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001446465458 1100889616 /nfs/dbraw/zinc/88/96/16/1100889616.db2.gz VFKGUABEQXXQFH-LSDHHAIUSA-N 2 0 333.467 2.385 10 0 EEAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001496418736 1101012410 /nfs/dbraw/zinc/01/24/10/1101012410.db2.gz ZZLCKGADKBFFEZ-SFHVURJKSA-N 2 0 349.523 2.075 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001496418954 1101012762 /nfs/dbraw/zinc/01/27/62/1101012762.db2.gz MCNGMULVFZVLOS-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001495348717 1101060290 /nfs/dbraw/zinc/06/02/90/1101060290.db2.gz YPLSUZKGOXAGTL-PKOBYXMFSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495431894 1101150344 /nfs/dbraw/zinc/15/03/44/1101150344.db2.gz CVIRBERMONEOMD-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001495575917 1101284307 /nfs/dbraw/zinc/28/43/07/1101284307.db2.gz JTQLVFTWOKNIHR-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001495669402 1101410831 /nfs/dbraw/zinc/41/08/31/1101410831.db2.gz WLHSETACUFOHRZ-CJNGLKHVSA-N 2 0 338.521 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2cncs2)C1 ZINC001495727865 1101491643 /nfs/dbraw/zinc/49/16/43/1101491643.db2.gz VFJAIOKQBWVWQP-HUUCEWRRSA-N 2 0 338.521 2.107 10 0 EEAERP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496817144 1101524781 /nfs/dbraw/zinc/52/47/81/1101524781.db2.gz SVDKLHFWUNQTHU-LPHOPBHVSA-N 2 0 329.488 2.406 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccn2)C3)CCC1 ZINC001446923138 1101600288 /nfs/dbraw/zinc/60/02/88/1101600288.db2.gz HLLFUVWLJJSPKD-SZMVWBNQSA-N 2 0 342.487 2.035 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)CC[C@@H]32)cc1 ZINC001496863805 1101632872 /nfs/dbraw/zinc/63/28/72/1101632872.db2.gz QLCVEILPOXIQBR-MOPGFXCFSA-N 2 0 329.488 2.370 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2conc2C)CCCC1 ZINC001495918568 1101762670 /nfs/dbraw/zinc/76/26/70/1101762670.db2.gz NBSBRLIOLZEYQL-KRWDZBQOSA-N 2 0 348.491 2.376 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cc(C3CC3)no2)CCCC1 ZINC001495963512 1101844234 /nfs/dbraw/zinc/84/42/34/1101844234.db2.gz KFQJTDXICMEVLR-UHFFFAOYSA-N 2 0 348.491 2.411 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001447166345 1102119564 /nfs/dbraw/zinc/11/95/64/1102119564.db2.gz PANGGPDSCFMQCC-ZWKOTPCHSA-N 2 0 349.519 2.105 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497207523 1102128345 /nfs/dbraw/zinc/12/83/45/1102128345.db2.gz JLUUNCCPIZXPOD-UKRRQHHQSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001497307010 1102288657 /nfs/dbraw/zinc/28/86/57/1102288657.db2.gz DZXFTUXNGXNLDT-DOMZBBRYSA-N 2 0 326.872 2.060 10 0 EEAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497465070 1102533476 /nfs/dbraw/zinc/53/34/76/1102533476.db2.gz UHRCOTCEMHVTTN-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccc2c(c1)COC2)C(=O)C[NH+]1CCCC1 ZINC001447373214 1102549503 /nfs/dbraw/zinc/54/95/03/1102549503.db2.gz CFQFEAYAZARPNP-UHFFFAOYSA-N 2 0 345.487 2.093 10 0 EEAERP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001447407992 1102603204 /nfs/dbraw/zinc/60/32/04/1102603204.db2.gz PKXPPRWESNYKER-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2F)C1 ZINC001497672990 1102872503 /nfs/dbraw/zinc/87/25/03/1102872503.db2.gz BYLDJUAXVUOMLE-SFAKSCPVSA-N 2 0 337.414 2.069 10 0 EEAERP CCOCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001493897174 1103072042 /nfs/dbraw/zinc/07/20/42/1103072042.db2.gz ONEDURZANIKQBT-YTQUADARSA-N 2 0 347.503 2.200 10 0 EEAERP CCC(CC)n1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001497818100 1103147219 /nfs/dbraw/zinc/14/72/19/1103147219.db2.gz OBOATUQPQUAEHL-IIDMSEBBSA-N 2 0 349.523 2.179 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497846224 1103186177 /nfs/dbraw/zinc/18/61/77/1103186177.db2.gz VQHZYFOGVFLSJE-OAHLLOKOSA-N 2 0 340.471 2.391 10 0 EEAERP COCc1cccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001497878775 1103245121 /nfs/dbraw/zinc/24/51/21/1103245121.db2.gz USXSXMPJQWXXIH-MRXNPFEDSA-N 2 0 347.503 2.302 10 0 EEAERP C[C@H](C[NH2+]Cc1ccncc1Cl)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497878460 1103245469 /nfs/dbraw/zinc/24/54/69/1103245469.db2.gz SSOHARYZTJBBLW-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001448258833 1104262984 /nfs/dbraw/zinc/26/29/84/1104262984.db2.gz DJPHYOJMPBPEDJ-RBUKOAKNSA-N 2 0 347.503 2.033 10 0 EEAERP CC(C)OCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001448264590 1104276430 /nfs/dbraw/zinc/27/64/30/1104276430.db2.gz MBODXHFUHSOYBI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001494841442 1104440314 /nfs/dbraw/zinc/44/03/14/1104440314.db2.gz HQVLWKWWFXZIBP-GOSISDBHSA-N 2 0 332.492 2.073 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc2cccnc2C)C1 ZINC001495040566 1104681411 /nfs/dbraw/zinc/68/14/11/1104681411.db2.gz FFKWFHNSCAKQRM-OALUTQOASA-N 2 0 346.519 2.496 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1sccc1Cl ZINC001495092727 1104731259 /nfs/dbraw/zinc/73/12/59/1104731259.db2.gz ABUKUUAKNCCJEZ-GFCCVEGCSA-N 2 0 341.908 2.482 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001480646423 1106811993 /nfs/dbraw/zinc/81/19/93/1106811993.db2.gz RWQMCUBGTWXQDF-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001498053994 1106849981 /nfs/dbraw/zinc/84/99/81/1106849981.db2.gz WBNSKFBMIMIPBG-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480695188 1106900435 /nfs/dbraw/zinc/90/04/35/1106900435.db2.gz LRGOGSVAVWMMHI-JKSUJKDBSA-N 2 0 344.459 2.310 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480695187 1106900697 /nfs/dbraw/zinc/90/06/97/1106900697.db2.gz LRGOGSVAVWMMHI-HZPDHXFCSA-N 2 0 344.459 2.310 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCOCC2CC2)C1)C12CCC[NH+]1CCC2 ZINC001480695550 1106901880 /nfs/dbraw/zinc/90/18/80/1106901880.db2.gz OTXADCFDSSOKHQ-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001480701515 1106914145 /nfs/dbraw/zinc/91/41/45/1106914145.db2.gz LNRSOPHFNUTCLZ-HUUCEWRRSA-N 2 0 334.464 2.021 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001480704029 1106919752 /nfs/dbraw/zinc/91/97/52/1106919752.db2.gz BRKVDNTUPISAAK-MSOLQXFVSA-N 2 0 347.507 2.042 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001498582441 1107760725 /nfs/dbraw/zinc/76/07/25/1107760725.db2.gz HNOWEGRHHMTOBS-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001498582438 1107760802 /nfs/dbraw/zinc/76/08/02/1107760802.db2.gz HNOWEGRHHMTOBS-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)O1 ZINC001493609416 1108398310 /nfs/dbraw/zinc/39/83/10/1108398310.db2.gz NPNKAKCMRVUFAS-RDJZCZTQSA-N 2 0 339.524 2.255 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC=C(Cl)Cl)C1 ZINC001493667320 1108479426 /nfs/dbraw/zinc/47/94/26/1108479426.db2.gz OCLKYXSXZOEDJX-CYBMUJFWSA-N 2 0 336.307 2.475 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493762063 1108636710 /nfs/dbraw/zinc/63/67/10/1108636710.db2.gz PRJHTRGBGAUKAP-MSOLQXFVSA-N 2 0 347.503 2.234 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1c(Cl)cccc1OC)[NH+](C)C ZINC001493763738 1108639153 /nfs/dbraw/zinc/63/91/53/1108639153.db2.gz OWOYLJBAWVKYOM-OAHLLOKOSA-N 2 0 341.883 2.237 10 0 EEAERP C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001493835885 1108718965 /nfs/dbraw/zinc/71/89/65/1108718965.db2.gz GIQNHOFBQHQBAV-SBRLYDIBSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001493869464 1108764594 /nfs/dbraw/zinc/76/45/94/1108764594.db2.gz ADDAWFJJNOAFID-QGZVFWFLSA-N 2 0 346.519 2.449 10 0 EEAERP CC[NH+](CC)CCCC1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC001459932178 1110250566 /nfs/dbraw/zinc/25/05/66/1110250566.db2.gz JMHMSFNTRACOLL-UHFFFAOYSA-N 2 0 342.484 2.015 10 0 EEAERP CO[C@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001479271537 1110673642 /nfs/dbraw/zinc/67/36/42/1110673642.db2.gz NMLRGBGNNKVIMR-RBUKOAKNSA-N 2 0 345.487 2.003 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001479328498 1110681756 /nfs/dbraw/zinc/68/17/56/1110681756.db2.gz NZIAHKCVVARPSM-FGTMMUONSA-N 2 0 339.524 2.159 10 0 EEAERP Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479338832 1110683184 /nfs/dbraw/zinc/68/31/84/1110683184.db2.gz ZVNGKSOKAXERCT-JENIJYKNSA-N 2 0 329.488 2.321 10 0 EEAERP COCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001499480217 1112311176 /nfs/dbraw/zinc/31/11/76/1112311176.db2.gz DYNBVAHHTJFXRZ-ROUUACIJSA-N 2 0 348.491 2.013 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCOCC)C2 ZINC001499576000 1112380889 /nfs/dbraw/zinc/38/08/89/1112380889.db2.gz FAGIAUXCQSDVOG-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001499922514 1112542586 /nfs/dbraw/zinc/54/25/86/1112542586.db2.gz FTUARIBEARIFPQ-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001499950820 1112552801 /nfs/dbraw/zinc/55/28/01/1112552801.db2.gz NTRKCTGRRKJTNE-OALUTQOASA-N 2 0 345.487 2.051 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CCCC2)o1 ZINC001500088670 1112612472 /nfs/dbraw/zinc/61/24/72/1112612472.db2.gz NTXWMUSDTZCEBC-XWIAVFTESA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001500402732 1112805312 /nfs/dbraw/zinc/80/53/12/1112805312.db2.gz YVKGJBUEUULKGK-HXUWFJFHSA-N 2 0 329.488 2.419 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]Cc2ccon2)C1)[NH+]1CCCCC1 ZINC001501568807 1113385587 /nfs/dbraw/zinc/38/55/87/1113385587.db2.gz PCJHWNFELQKQMP-INIZCTEOSA-N 2 0 348.491 2.267 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001501574459 1113388126 /nfs/dbraw/zinc/38/81/26/1113388126.db2.gz NIHRMNFMARABGR-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cncc(F)c3)CC2)CC1 ZINC001502134766 1113609625 /nfs/dbraw/zinc/60/96/25/1113609625.db2.gz BBNFLEMWKKMLOC-QGZVFWFLSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001503473300 1113888808 /nfs/dbraw/zinc/88/88/08/1113888808.db2.gz NGNXFPUMYGCUOE-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cncc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001505784085 1114189985 /nfs/dbraw/zinc/18/99/85/1114189985.db2.gz BQVQFGMGMONCGM-UHFFFAOYSA-N 2 0 332.492 2.201 10 0 EEAERP CCCC[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506554649 1114695794 /nfs/dbraw/zinc/69/57/94/1114695794.db2.gz XWFBKDMEZGVNNY-CABCVRRESA-N 2 0 331.451 2.248 10 0 EEAERP Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001506801749 1114886772 /nfs/dbraw/zinc/88/67/72/1114886772.db2.gz FTVKKSVCGXLHFN-OWYHZJEWSA-N 2 0 329.488 2.302 10 0 EEAERP Cc1oncc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001506850740 1114913950 /nfs/dbraw/zinc/91/39/50/1114913950.db2.gz ANFKVDZMYQTPDX-XYJFISCASA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccccn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001506940605 1114989736 /nfs/dbraw/zinc/98/97/36/1114989736.db2.gz IURYYUJECFLTIC-INIZCTEOSA-N 2 0 332.492 2.188 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)CC1CC[NH+](C)CC1 ZINC001506943990 1114992979 /nfs/dbraw/zinc/99/29/79/1114992979.db2.gz UFYOEUHUNGXFFF-AWEZNQCLSA-N 2 0 338.521 2.250 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001507034853 1115071290 /nfs/dbraw/zinc/07/12/90/1115071290.db2.gz UYZKFCGDSMETNL-QUCCMNQESA-N 2 0 343.515 2.398 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001507034851 1115071568 /nfs/dbraw/zinc/07/15/68/1115071568.db2.gz UYZKFCGDSMETNL-ICSRJNTNSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001507116873 1115116631 /nfs/dbraw/zinc/11/66/31/1115116631.db2.gz VTNNHNFMQPBJOE-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001507116357 1115116736 /nfs/dbraw/zinc/11/67/36/1115116736.db2.gz FLMWEEBEYAHHIB-AOIWGVFYSA-N 2 0 331.504 2.396 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C1CC1 ZINC001507155391 1115138124 /nfs/dbraw/zinc/13/81/24/1115138124.db2.gz RYNMZRDULPTZQQ-QAPCUYQASA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)CC[NH+](C)C ZINC001507321500 1115191213 /nfs/dbraw/zinc/19/12/13/1115191213.db2.gz PPXNRKXBBYFRFS-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001508073686 1115411813 /nfs/dbraw/zinc/41/18/13/1115411813.db2.gz JBKKMULHOWFBPZ-AWEZNQCLSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001508081580 1115414555 /nfs/dbraw/zinc/41/45/55/1115414555.db2.gz OODFRKQPZJPQPR-SJORKVTESA-N 2 0 344.503 2.140 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001568058322 1124264683 /nfs/dbraw/zinc/26/46/83/1124264683.db2.gz QMDBSNNIMJWWLM-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cccnc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001568090972 1124295394 /nfs/dbraw/zinc/29/53/94/1124295394.db2.gz VWXFXIMRJCINPS-LJQANCHMSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001568515445 1124576984 /nfs/dbraw/zinc/57/69/84/1124576984.db2.gz LEWOUZHRWQPVCN-DLBZAZTESA-N 2 0 348.491 2.138 10 0 EEAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001568540111 1124600581 /nfs/dbraw/zinc/60/05/81/1124600581.db2.gz KUONRXIAFHLWTP-RDJZCZTQSA-N 2 0 347.528 2.261 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001568650902 1124662557 /nfs/dbraw/zinc/66/25/57/1124662557.db2.gz FLWZBRDQELKBHN-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001568651753 1124662983 /nfs/dbraw/zinc/66/29/83/1124662983.db2.gz WUQGPPVORZDGAF-ZDUSSCGKSA-N 2 0 341.415 2.237 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568689506 1124701835 /nfs/dbraw/zinc/70/18/35/1124701835.db2.gz LHIXBHJHNYUWFK-QFBILLFUSA-N 2 0 347.503 2.415 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cccc2nsnc21 ZINC001568714270 1124733064 /nfs/dbraw/zinc/73/30/64/1124733064.db2.gz RGJBMTRAZHTNSK-CYBMUJFWSA-N 2 0 349.504 2.016 10 0 EEAERP CCN(CC[NH2+]C[C@H](OC)C1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568753227 1124767852 /nfs/dbraw/zinc/76/78/52/1124767852.db2.gz BOBPVIJOGMRHLF-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568851139 1124870919 /nfs/dbraw/zinc/87/09/19/1124870919.db2.gz YBZFOBNGIKNBDZ-DDKKJVIOSA-N 2 0 333.451 2.461 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568852508 1124872188 /nfs/dbraw/zinc/87/21/88/1124872188.db2.gz WKQKYSPRPRPLLZ-XQQSMPNESA-N 2 0 341.499 2.353 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001568873463 1124899478 /nfs/dbraw/zinc/89/94/78/1124899478.db2.gz MXZNDTZAHHAHSQ-SFFCAUCYSA-N 2 0 329.488 2.495 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568923455 1124952501 /nfs/dbraw/zinc/95/25/01/1124952501.db2.gz RAUTYSHOPZGHCS-AUPYJTDXSA-N 2 0 347.478 2.342 10 0 EEAERP Cc1ccc(OCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001568984736 1125021381 /nfs/dbraw/zinc/02/13/81/1125021381.db2.gz YQIZYYBXIOEZIA-MJGOQNOKSA-N 2 0 347.503 2.261 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001569338813 1125239819 /nfs/dbraw/zinc/23/98/19/1125239819.db2.gz REPBHOGYDXVASF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416175300 529798727 /nfs/dbraw/zinc/79/87/27/529798727.db2.gz HRUGATZWFQNHRJ-VQTJNVASSA-N 2 0 341.499 2.378 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000067138804 201160164 /nfs/dbraw/zinc/16/01/64/201160164.db2.gz JGUMWDDRHGKOBN-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@H](CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000422818110 240245813 /nfs/dbraw/zinc/24/58/13/240245813.db2.gz FPYKXZNIHOMCRW-UXPWSPDFSA-N 2 0 331.504 2.254 10 0 EEAERP COc1ccc([C@H](NC[C@@H](C)C[NH+]2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422751710 240207923 /nfs/dbraw/zinc/20/79/23/240207923.db2.gz ABCOWMJUIDEXDS-AHRSYUTCSA-N 2 0 347.503 2.046 10 0 EEAERP c1ccc(CC[NH+]2CCC(N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840268 240254523 /nfs/dbraw/zinc/25/45/23/240254523.db2.gz BFTIFLBPTJWXNX-LEWJYISDSA-N 2 0 343.515 2.050 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CCO)c1ccccc1Br ZINC000423031913 240339217 /nfs/dbraw/zinc/33/92/17/240339217.db2.gz LQAFUXJTSBYCOL-WFASDCNBSA-N 2 0 345.281 2.216 10 0 EEAERP Cc1nn(C)c(C)c1CN1Cc2ccc(C[NH+](C)C)cc2[C@H]1C[NH3+] ZINC000071683861 203103738 /nfs/dbraw/zinc/10/37/38/203103738.db2.gz GVNSWWJBWDZVJJ-LJQANCHMSA-N 2 0 327.476 2.114 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000071871115 203132424 /nfs/dbraw/zinc/13/24/24/203132424.db2.gz RVHJRKUTXLMEGL-MRXNPFEDSA-N 2 0 340.471 2.326 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073722876 203271752 /nfs/dbraw/zinc/27/17/52/203271752.db2.gz BMJHJFBXDFRLNY-SJORKVTESA-N 2 0 326.529 2.479 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000129689898 205208235 /nfs/dbraw/zinc/20/82/35/205208235.db2.gz OTBSBVCTEIYMEB-JQHSSLGASA-N 2 0 330.476 2.043 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000348631809 284579708 /nfs/dbraw/zinc/57/97/08/284579708.db2.gz JOCXHRXQYYDVCG-UHFFFAOYSA-N 2 0 338.540 2.482 10 0 EEAERP Cn1cncc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177055535 207290234 /nfs/dbraw/zinc/29/02/34/207290234.db2.gz UWFCPKBYHYVADP-HXUWFJFHSA-N 2 0 342.487 2.298 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000248585968 160351188 /nfs/dbraw/zinc/35/11/88/160351188.db2.gz QADCFJMMXHFETI-PXNSSMCTSA-N 2 0 334.504 2.005 10 0 EEAERP CSCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000374202564 154002144 /nfs/dbraw/zinc/00/21/44/154002144.db2.gz VLXWCTCQNNRGOS-UHFFFAOYSA-N 2 0 327.538 2.004 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CO)CC2)CC1 ZINC000127066919 292319543 /nfs/dbraw/zinc/31/95/43/292319543.db2.gz XNPWWSNZXMXPLK-UHFFFAOYSA-N 2 0 331.504 2.423 10 0 EEAERP CC(C)N(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000248814712 160362013 /nfs/dbraw/zinc/36/20/13/160362013.db2.gz DHLURVYILUPHTG-KRWDZBQOSA-N 2 0 348.535 2.451 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)Cc1ccccc1 ZINC000105091068 159295758 /nfs/dbraw/zinc/29/57/58/159295758.db2.gz CFHBOPYKTDFEOV-LJQANCHMSA-N 2 0 344.503 2.388 10 0 EEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000106123998 159312428 /nfs/dbraw/zinc/31/24/28/159312428.db2.gz NYPCGHCOENBXOM-ICSRJNTNSA-N 2 0 331.504 2.474 10 0 EEAERP CCC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000164184933 159745636 /nfs/dbraw/zinc/74/56/36/159745636.db2.gz XUADJCNLBLWZEB-MAUKXSAKSA-N 2 0 332.492 2.454 10 0 EEAERP [NH3+]CCCCCCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186610543 160078027 /nfs/dbraw/zinc/07/80/27/160078027.db2.gz VQRTVYFRFOQJGH-GOSISDBHSA-N 2 0 332.492 2.462 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[C@@H](C)[NH+](C3CC3)C1)CC2 ZINC000246409737 160277458 /nfs/dbraw/zinc/27/74/58/160277458.db2.gz UQBHEVDBKFVNPG-AHCXZYCDSA-N 2 0 334.508 2.268 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247556672 160329017 /nfs/dbraw/zinc/32/90/17/160329017.db2.gz ZSTNHBMPBZQNEN-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000375465713 167140355 /nfs/dbraw/zinc/14/03/55/167140355.db2.gz PRQBMCLDNQOXIK-QGZVFWFLSA-N 2 0 347.507 2.152 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000291192049 275280313 /nfs/dbraw/zinc/28/03/13/275280313.db2.gz GBUIRSTZJXJHLH-KRWDZBQOSA-N 2 0 331.395 2.418 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000292114095 275378283 /nfs/dbraw/zinc/37/82/83/275378283.db2.gz KDKCAPNWJVBYCO-QFBILLFUSA-N 2 0 329.488 2.498 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CC23CCSCC3)CC[NH2+]CC1 ZINC000423543767 276425978 /nfs/dbraw/zinc/42/59/78/276425978.db2.gz HQNRKVOAROBUFJ-HUUCEWRRSA-N 2 0 340.533 2.431 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261821236 279063844 /nfs/dbraw/zinc/06/38/44/279063844.db2.gz IJBZWWUGVNVWOK-ZIAGYGMSSA-N 2 0 335.414 2.109 10 0 EEAERP c1cn(-c2ncccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000294102923 293371017 /nfs/dbraw/zinc/37/10/17/293371017.db2.gz CESFGMJRTGFYIC-UHFFFAOYSA-N 3 0 334.427 2.421 10 0 EEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297316132 294210194 /nfs/dbraw/zinc/21/01/94/294210194.db2.gz RDJYCALXSZPEDO-INIZCTEOSA-N 2 0 329.448 2.398 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246316532 297227045 /nfs/dbraw/zinc/22/70/45/297227045.db2.gz NUPBSEZDECDZRN-KZNAEPCWSA-N 2 0 348.535 2.399 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333479643 312154088 /nfs/dbraw/zinc/15/40/88/312154088.db2.gz FJUUVPYXXPMPQS-RJFAQORQSA-N 2 0 348.535 2.266 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000339265782 312253985 /nfs/dbraw/zinc/25/39/85/312253985.db2.gz VNNUZRWZQFMKHL-IYBDPMFKSA-N 2 0 332.492 2.241 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000414894688 313108493 /nfs/dbraw/zinc/10/84/93/313108493.db2.gz ZVUOVECDWSAICO-LJQANCHMSA-N 2 0 346.475 2.234 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000414939063 313113388 /nfs/dbraw/zinc/11/33/88/313113388.db2.gz JCGUVJDOHOQTKA-YDHLFZDLSA-N 2 0 335.448 2.009 10 0 EEAERP CCc1cccc(F)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414979155 313119668 /nfs/dbraw/zinc/11/96/68/313119668.db2.gz VCVFAYXBZMMHTK-OAHLLOKOSA-N 2 0 333.373 2.314 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000416885679 313348980 /nfs/dbraw/zinc/34/89/80/313348980.db2.gz FQXVQROKVYTEOT-CRAIPNDOSA-N 2 0 332.492 2.326 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000416928251 313363463 /nfs/dbraw/zinc/36/34/63/313363463.db2.gz ULTLHYICTDJHKR-CKEIUWERSA-N 2 0 336.480 2.113 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)Cc1ccccc1 ZINC000417010115 313393005 /nfs/dbraw/zinc/39/30/05/313393005.db2.gz OPCIXKPUKJNRJS-YTQUADARSA-N 2 0 346.519 2.237 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000417173067 313440829 /nfs/dbraw/zinc/44/08/29/313440829.db2.gz KZVMNEYFEGPCQM-IEBWSBKVSA-N 2 0 348.466 2.214 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000418689036 313881188 /nfs/dbraw/zinc/88/11/88/313881188.db2.gz UKLIWNOSWKNHBB-NLJJSJGESA-N 2 0 348.535 2.204 10 0 EEAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CS2 ZINC000520814237 316880231 /nfs/dbraw/zinc/88/02/31/316880231.db2.gz CPUWSRRFHJSIFA-LVQVYYBASA-N 2 0 334.485 2.286 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000563549038 319022642 /nfs/dbraw/zinc/02/26/42/319022642.db2.gz MQJRQTWFGYGPIF-PMPSAXMXSA-N 2 0 329.423 2.259 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000564853206 319118421 /nfs/dbraw/zinc/11/84/21/319118421.db2.gz BSBDPDJWRXEPLE-ABHNRTSZSA-N 2 0 325.541 2.037 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1c1ccc(F)cc1 ZINC000565596806 319196759 /nfs/dbraw/zinc/19/67/59/319196759.db2.gz MLCOHISEQKRAFG-NSXODDLWSA-N 2 0 345.462 2.390 10 0 EEAERP CC[NH+]1CCC(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000568350292 319478551 /nfs/dbraw/zinc/47/85/51/319478551.db2.gz OADDHXVIYNIOOR-UHFFFAOYSA-N 2 0 344.503 2.455 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000358308625 465050221 /nfs/dbraw/zinc/05/02/21/465050221.db2.gz KCNCVCIDHKRMNK-INIZCTEOSA-N 2 0 346.475 2.003 10 0 EEAERP CO[C@@H](C)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828324 465176398 /nfs/dbraw/zinc/17/63/98/465176398.db2.gz BAWTUMKHOAGJNG-WMZOPIPTSA-N 2 0 335.492 2.151 10 0 EEAERP CS[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1[NH+]1CCCC1 ZINC000356030619 465287798 /nfs/dbraw/zinc/28/77/98/465287798.db2.gz SWBFSDSRXVZMKV-YESZJQIVSA-N 2 0 339.549 2.289 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[N@@H+]1C1CC1 ZINC000129955642 462733111 /nfs/dbraw/zinc/73/31/11/462733111.db2.gz LUCMONANMCPZAJ-RYRKJORJSA-N 2 0 334.508 2.272 10 0 EEAERP NC(=[NH2+])c1ccc2[nH]c(C=Cc3nc4cc(C(N)=[NH2+])ccc4[nH]3)nc2c1 ZINC000051075741 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ZINC000366410576 465710608 /nfs/dbraw/zinc/71/06/08/465710608.db2.gz ZCTFDWSQRATQNX-UHFFFAOYSA-N 2 0 334.508 2.273 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000366508796 465770326 /nfs/dbraw/zinc/77/03/26/465770326.db2.gz SSGMTFFSQJKAQY-ZDUSSCGKSA-N 2 0 333.407 2.275 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000361366784 465939169 /nfs/dbraw/zinc/93/91/69/465939169.db2.gz KWYXTBVXWPYNJT-INIZCTEOSA-N 2 0 330.476 2.064 10 0 EEAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555227234 468464425 /nfs/dbraw/zinc/46/44/25/468464425.db2.gz REVZTIPZOSSWNM-NQYYFHDYSA-N 2 0 329.488 2.356 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)NCC[NH+](C)C ZINC000340517030 466148252 /nfs/dbraw/zinc/14/82/52/466148252.db2.gz KQYOSZNCNDUHAW-ROUUACIJSA-N 2 0 347.503 2.452 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)CC1 ZINC000597219815 468484448 /nfs/dbraw/zinc/48/44/48/468484448.db2.gz BRMHMCNNLQQPDH-HDICACEKSA-N 2 0 345.487 2.260 10 0 EEAERP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597239850 468492784 /nfs/dbraw/zinc/49/27/84/468492784.db2.gz MKODMYSBQSVMIX-FUHWJXTLSA-N 2 0 328.416 2.479 10 0 EEAERP C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423251115 466703232 /nfs/dbraw/zinc/70/32/32/466703232.db2.gz WBLNXTSGVKKQME-RDTXWAMCSA-N 2 0 347.484 2.288 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000416164822 466724185 /nfs/dbraw/zinc/72/41/85/466724185.db2.gz BLWCOEGABIKXIC-UHFFFAOYSA-N 2 0 347.422 2.654 10 0 EEAERP O=C(CN1CCC[C@@H](c2ncc3n2CCCC3)C1)Nc1nccs1 ZINC000370305119 466831581 /nfs/dbraw/zinc/83/15/81/466831581.db2.gz GLJYCKDZMKXRSO-CYBMUJFWSA-N 2 0 345.472 2.494 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423798876 466841945 /nfs/dbraw/zinc/84/19/45/466841945.db2.gz KLHFPMBRFXEYRN-QLOJAFMTSA-N 2 0 327.472 2.051 10 0 EEAERP C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000375667872 466853791 /nfs/dbraw/zinc/85/37/91/466853791.db2.gz AGIWTNKANJMXRX-AOCRQIFASA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417588284 466888364 /nfs/dbraw/zinc/88/83/64/466888364.db2.gz PBWQGZCCLNHGDZ-QAPCUYQASA-N 2 0 330.476 2.043 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000417949093 466999901 /nfs/dbraw/zinc/99/99/01/466999901.db2.gz UVRNHBIXBMBHLW-OALUTQOASA-N 2 0 344.503 2.463 10 0 EEAERP C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418018043 467024274 /nfs/dbraw/zinc/02/42/74/467024274.db2.gz ZLTKNUYLPMPESW-YTQUADARSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@]1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044860 467033047 /nfs/dbraw/zinc/03/30/47/467033047.db2.gz NMSYXZXUPNEOKG-PXNSSMCTSA-N 2 0 344.503 2.340 10 0 EEAERP CCC[N@H+](C)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418186012 467069339 /nfs/dbraw/zinc/06/93/39/467069339.db2.gz RIOVUVDONNIERQ-HNNXBMFYSA-N 2 0 326.872 2.371 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418585488 467132386 /nfs/dbraw/zinc/13/23/86/467132386.db2.gz DIPPXYZSHPXMPW-FUHWJXTLSA-N 2 0 332.492 2.066 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418595878 467133521 /nfs/dbraw/zinc/13/35/21/467133521.db2.gz OMIJRNYEUYZTMR-QAPCUYQASA-N 2 0 332.492 2.278 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000418604808 467134906 /nfs/dbraw/zinc/13/49/06/467134906.db2.gz PCEKPMYREDJTEU-KZNAEPCWSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615138 467136003 /nfs/dbraw/zinc/13/60/03/467136003.db2.gz GTOXFSDZNLMTAD-NXHRZFHOSA-N 2 0 330.476 2.043 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000418680806 467145526 /nfs/dbraw/zinc/14/55/26/467145526.db2.gz UZUXKZAWTKONIU-MJGOQNOKSA-N 2 0 330.476 2.252 10 0 EEAERP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOCCOc3ccccc3)CC2)C1 ZINC000420385790 467390005 /nfs/dbraw/zinc/39/00/05/467390005.db2.gz IBOIMWFEYLUXTJ-AZUAARDMSA-N 2 0 348.487 2.300 10 0 EEAERP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397600958 467443466 /nfs/dbraw/zinc/44/34/66/467443466.db2.gz UGRIEBSCYKPOEQ-PMACEKPBSA-N 3 0 343.515 2.230 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000397585587 467443474 /nfs/dbraw/zinc/44/34/74/467443474.db2.gz IWXALPVRJMBHFF-HKUYNNGSSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453101708 467459578 /nfs/dbraw/zinc/45/95/78/467459578.db2.gz OQBSAOSGGHDJGD-IAGOWNOFSA-N 2 0 341.503 2.374 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000454648721 467607330 /nfs/dbraw/zinc/60/73/30/467607330.db2.gz KPPGEWMDTPUNPQ-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP COCC[N@@H+]1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449156948 467621324 /nfs/dbraw/zinc/62/13/24/467621324.db2.gz UEMADJGTKHLATE-WIYYLYMNSA-N 2 0 345.531 2.392 10 0 EEAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000529307902 467843824 /nfs/dbraw/zinc/84/38/24/467843824.db2.gz FLNLSULQOFWEKW-KRWDZBQOSA-N 2 0 336.455 2.027 10 0 EEAERP CC(=O)[C@](C)(O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450653283 467887243 /nfs/dbraw/zinc/88/72/43/467887243.db2.gz VPMYNUYXKZEDNN-LJQANCHMSA-N 2 0 330.472 2.315 10 0 EEAERP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514938365 467964355 /nfs/dbraw/zinc/96/43/55/467964355.db2.gz GNXGQJHNQQYCIN-RZQQEMMASA-N 2 0 327.472 2.428 10 0 EEAERP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000516200466 468018857 /nfs/dbraw/zinc/01/88/57/468018857.db2.gz KFQKXRJIXCDNME-KSZLIROESA-N 2 0 331.460 2.234 10 0 EEAERP CN1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519638654 468186687 /nfs/dbraw/zinc/18/66/87/468186687.db2.gz ACHZJOZEQUWNJT-JYJNAYRXSA-N 2 0 339.842 2.468 10 0 EEAERP OCC1([NH2+]CC2CC2)CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567994479 468252067 /nfs/dbraw/zinc/25/20/67/468252067.db2.gz NIEKUUKIHYYIOM-FQEVSTJZSA-N 2 0 343.515 2.087 10 0 EEAERP C[C@@]1(CNC(=O)NCC2=CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000584770435 468932444 /nfs/dbraw/zinc/93/24/44/468932444.db2.gz RMADKNLZWSMYJF-FQEVSTJZSA-N 2 0 342.487 2.260 10 0 EEAERP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322570 468938475 /nfs/dbraw/zinc/93/84/75/468938475.db2.gz MLRFCUNUYAPWCH-KURKYZTESA-N 2 0 332.444 2.334 10 0 EEAERP C[C@@H](c1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1)N1CCOCC1 ZINC000562749176 469061644 /nfs/dbraw/zinc/06/16/44/469061644.db2.gz JHWJMSNVMVJOKX-RVKKMQEKSA-N 2 0 346.475 2.199 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562806013 469077906 /nfs/dbraw/zinc/07/79/06/469077906.db2.gz GSBILGABSJBSIA-JFRXWTBNSA-N 2 0 344.503 2.194 10 0 EEAERP 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SLHPCJHASXNHIH-FUHWJXTLSA-N 2 0 336.524 2.425 10 0 EEAERP c1ncn2c1c(N1CCC[C@H]1CN1CCOCC1)nc1ccccc12 ZINC000624117097 469846076 /nfs/dbraw/zinc/84/60/76/469846076.db2.gz GQRMCMUZBFHILC-HNNXBMFYSA-N 2 0 337.427 2.184 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000624783950 470021123 /nfs/dbraw/zinc/02/11/23/470021123.db2.gz CDPUCMPGTHHHPQ-IEBWSBKVSA-N 2 0 348.535 2.425 10 0 EEAERP CN(CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc[nH+]cc1 ZINC000628544344 470118142 /nfs/dbraw/zinc/11/81/42/470118142.db2.gz DYJBIKALKKIAEZ-SFHVURJKSA-N 2 0 330.476 2.431 10 0 EEAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044836 470153583 /nfs/dbraw/zinc/15/35/83/470153583.db2.gz UTFSKLWQEVSMFB-GJZGRUSLSA-N 2 0 341.455 2.433 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701358 470281650 /nfs/dbraw/zinc/28/16/50/470281650.db2.gz OOFYURASHREVLK-JBACZVJFSA-N 2 0 346.515 2.400 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000632911404 470286341 /nfs/dbraw/zinc/28/63/41/470286341.db2.gz OLGHCCGPCKRWFF-HUUCEWRRSA-N 2 0 334.464 2.076 10 0 EEAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772314 470304044 /nfs/dbraw/zinc/30/40/44/470304044.db2.gz GHNWEELNGKRGHW-HBFSDRIKSA-N 2 0 327.472 2.014 10 0 EEAERP CC1CC[NH+](Cc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)CC1 ZINC000649288251 470530247 /nfs/dbraw/zinc/53/02/47/470530247.db2.gz GHTKNSQISYDDGO-UHFFFAOYSA-N 2 0 331.460 2.236 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C[C@H]1C[NH3+] ZINC000650714134 470949218 /nfs/dbraw/zinc/94/92/18/470949218.db2.gz SVMXZJZTKYYEKY-VQIMIIECSA-N 2 0 328.460 2.191 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000638068770 470950757 /nfs/dbraw/zinc/95/07/57/470950757.db2.gz ZARRMGAPAPIMGG-IBGZPJMESA-N 2 0 340.471 2.146 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000644618856 470997777 /nfs/dbraw/zinc/99/77/77/470997777.db2.gz MDZDSQDOFKOSMG-UUKMXZOPSA-N 2 0 349.494 2.050 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(Cc3cnc4ccc(Br)cn34)[C@H]2C1 ZINC000644840526 471062658 /nfs/dbraw/zinc/06/26/58/471062658.db2.gz LAAPVKVMAHIELU-RISCZKNCSA-N 2 0 335.249 2.233 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000654659450 471117997 /nfs/dbraw/zinc/11/79/97/471117997.db2.gz HSTOAOULLBAPCR-GBESFXJTSA-N 2 0 344.503 2.243 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000640941584 471129751 /nfs/dbraw/zinc/12/97/51/471129751.db2.gz QTRJMKXYFJPTLH-FUHWJXTLSA-N 2 0 336.524 2.282 10 0 EEAERP c1c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nn2c1CCC2 ZINC000657612920 471186580 /nfs/dbraw/zinc/18/65/80/471186580.db2.gz FGBFQVICJUSNME-UHFFFAOYSA-N 2 0 325.460 2.226 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000657706778 471213851 /nfs/dbraw/zinc/21/38/51/471213851.db2.gz QZSNMHGRYFAFPS-MSOLQXFVSA-N 2 0 349.906 2.485 10 0 EEAERP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)c2ccccc2)CC1 ZINC000657869605 471242850 /nfs/dbraw/zinc/24/28/50/471242850.db2.gz YBJRRKVIQAZTAS-RBUKOAKNSA-N 2 0 329.488 2.276 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657867346 471243150 /nfs/dbraw/zinc/24/31/50/471243150.db2.gz GIMJENMUDLOMLB-UHFFFAOYSA-N 2 0 339.430 2.155 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000652186390 471252599 /nfs/dbraw/zinc/25/25/99/471252599.db2.gz JWEGQCVCBKFQTQ-UHFFFAOYSA-N 2 0 334.439 2.101 10 0 EEAERP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000652191531 471253077 /nfs/dbraw/zinc/25/30/77/471253077.db2.gz XLNWYODCYFEXKU-DOTOQJQBSA-N 2 0 332.492 2.414 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000652260529 471263535 /nfs/dbraw/zinc/26/35/35/471263535.db2.gz MULZIGAAPWLCLS-ZRSRNVLSSA-N 2 0 327.472 2.283 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418144 471288494 /nfs/dbraw/zinc/28/84/94/471288494.db2.gz UDJYKOLCXXKFGG-PKOBYXMFSA-N 2 0 344.503 2.244 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341885 471289911 /nfs/dbraw/zinc/28/99/11/471289911.db2.gz KHVIXTCWJORMJP-RXVVDRJESA-N 2 0 344.547 2.123 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000663507132 471404553 /nfs/dbraw/zinc/40/45/53/471404553.db2.gz YBEJCBIYBOUPMA-HNNXBMFYSA-N 2 0 335.467 2.337 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655697011 471445919 /nfs/dbraw/zinc/44/59/19/471445919.db2.gz MHJBKXPLINGCDY-LEWJYISDSA-N 2 0 345.531 2.392 10 0 EEAERP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CS1 ZINC000655709235 471451502 /nfs/dbraw/zinc/45/15/02/471451502.db2.gz ZRXUSENBUIXJAZ-WMLDXEAASA-N 2 0 335.517 2.352 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659031874 471475301 /nfs/dbraw/zinc/47/53/01/471475301.db2.gz DGJXKKOXXICTJX-CRAIPNDOSA-N 2 0 346.475 2.153 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420310 471490100 /nfs/dbraw/zinc/49/01/00/471490100.db2.gz IXAUDBHZQZTIHQ-BHIYHBOVSA-N 2 0 344.503 2.196 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000653119171 471497383 /nfs/dbraw/zinc/49/73/83/471497383.db2.gz AENCCPPIWFZQQC-BPLDGKMQSA-N 2 0 343.393 2.021 10 0 EEAERP O[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835529 471507010 /nfs/dbraw/zinc/50/70/10/471507010.db2.gz LVKMFSOQNJTBIW-OEHAVNEVSA-N 2 0 334.504 2.301 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000669512496 471529988 /nfs/dbraw/zinc/52/99/88/471529988.db2.gz JYTJREUHMMZXMQ-CQSZACIVSA-N 2 0 326.444 2.362 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655907786 471530694 /nfs/dbraw/zinc/53/06/94/471530694.db2.gz OPOCBLXNRRRFAP-OAGGEKHMSA-N 2 0 348.491 2.415 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000669530020 471536299 /nfs/dbraw/zinc/53/62/99/471536299.db2.gz NUEBBVGLLDTOCT-SFHVURJKSA-N 2 0 332.492 2.074 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655976115 471563707 /nfs/dbraw/zinc/56/37/07/471563707.db2.gz ZGBQNQKNNLZYMW-OALUTQOASA-N 2 0 344.503 2.216 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000660959844 471567915 /nfs/dbraw/zinc/56/79/15/471567915.db2.gz RECFKEHODXCZSL-KSZLIROESA-N 2 0 330.476 2.215 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000666925085 471590246 /nfs/dbraw/zinc/59/02/46/471590246.db2.gz RADWIKJMFFRGSH-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC34CCOCC4)cn2)CC1 ZINC000669698677 471594275 /nfs/dbraw/zinc/59/42/75/471594275.db2.gz SYIZHPUFBHSTQH-SFHVURJKSA-N 2 0 344.503 2.272 10 0 EEAERP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380958 471598889 /nfs/dbraw/zinc/59/88/89/471598889.db2.gz HXDQQHVHXRGLJG-ROUUACIJSA-N 2 0 341.499 2.403 10 0 EEAERP C[C@]1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000659484218 471650400 /nfs/dbraw/zinc/65/04/00/471650400.db2.gz QBUOOSYNFWCRGA-ZHALLVOQSA-N 2 0 348.466 2.122 10 0 EEAERP Cc1c(NC(=O)NCCN(C)CCC[NH+](C)C)ccc(F)c1F ZINC000667253356 471710633 /nfs/dbraw/zinc/71/06/33/471710633.db2.gz AVXLPXYGRBGFBQ-UHFFFAOYSA-N 2 0 328.407 2.278 10 0 EEAERP CCN(C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664407986 471744370 /nfs/dbraw/zinc/74/43/70/471744370.db2.gz ZVPNVHRAAOOQGQ-UHOSZYNNSA-N 2 0 344.503 2.385 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667681896 471864360 /nfs/dbraw/zinc/86/43/60/471864360.db2.gz UTHKFRQFJXEKOD-QGZVFWFLSA-N 2 0 325.460 2.431 10 0 EEAERP C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858244 471906947 /nfs/dbraw/zinc/90/69/47/471906947.db2.gz QKBYBDGWGKALDX-BDXSIMOUSA-N 2 0 328.497 2.002 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000654370315 471932046 /nfs/dbraw/zinc/93/20/46/471932046.db2.gz HIETWWJPQRGKGC-KDURUIRLSA-N 2 0 344.503 2.422 10 0 EEAERP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(F)CC1 ZINC000661999222 471952155 /nfs/dbraw/zinc/95/21/55/471952155.db2.gz DIKUYODONGHGAX-NFOMZHRRSA-N 2 0 325.472 2.236 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000665285085 471989933 /nfs/dbraw/zinc/98/99/33/471989933.db2.gz CDZVZCARRFEMTJ-CYBMUJFWSA-N 2 0 338.521 2.401 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662658919 472192089 /nfs/dbraw/zinc/19/20/89/472192089.db2.gz MMIDCUYSAWTDSW-UHFFFAOYSA-N 2 0 327.472 2.442 10 0 EEAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668480 472195087 /nfs/dbraw/zinc/19/50/87/472195087.db2.gz NEVKVFDYGDDNBO-XNWPKKHHSA-N 2 0 349.519 2.042 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1Cc1ccccc1 ZINC000662748038 472234126 /nfs/dbraw/zinc/23/41/26/472234126.db2.gz JSFSUBDYGBXFLO-HIFRSBDPSA-N 2 0 342.443 2.261 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)[C@H](C)C1 ZINC000658143167 485570975 /nfs/dbraw/zinc/57/09/75/485570975.db2.gz XHCFXZDXTAOGNR-AHRSYUTCSA-N 3 0 331.504 2.073 10 0 EEAERP CCC[NH+]1CCC(N[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000679042362 485572470 /nfs/dbraw/zinc/57/24/70/485572470.db2.gz AXZXFAPVCHCHBP-NRFANRHFSA-N 2 0 345.531 2.478 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000674147501 485647333 /nfs/dbraw/zinc/64/73/33/485647333.db2.gz CLQPTCUBWZYHMA-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000678341306 486620890 /nfs/dbraw/zinc/62/08/90/486620890.db2.gz DIWBAVITTMXCRI-VAMGGRTRSA-N 2 0 348.487 2.395 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cn(C)cn2)CC1 ZINC000459663487 534936395 /nfs/dbraw/zinc/93/63/95/534936395.db2.gz OVLAQDRRTXPBPD-UHFFFAOYSA-N 2 0 341.503 2.284 10 0 EEAERP O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000751103079 577748123 /nfs/dbraw/zinc/74/81/23/577748123.db2.gz MDDGLKSEQBINAW-CTWPCTMYSA-N 2 0 346.519 2.439 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000724627397 678728581 /nfs/dbraw/zinc/72/85/81/678728581.db2.gz HMKVDLPSUXGBQN-FKICDVMDSA-N 2 0 330.472 2.291 10 0 EEAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2[nH]nc(C)c2C)CC1 ZINC000894763182 683080067 /nfs/dbraw/zinc/08/00/67/683080067.db2.gz JHQKOFOWHZVSNN-UHFFFAOYSA-N 2 0 349.523 2.087 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000914329127 683500178 /nfs/dbraw/zinc/50/01/78/683500178.db2.gz MNLGKRKKPYTCMK-CIRFHOKZSA-N 2 0 330.476 2.214 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925544551 684260909 /nfs/dbraw/zinc/26/09/09/684260909.db2.gz AQLAGTMTSUQJOW-PMACEKPBSA-N 3 0 336.568 2.162 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000898087850 691871464 /nfs/dbraw/zinc/87/14/64/691871464.db2.gz FONZEODJUQRNEE-SQNIBIBYSA-N 2 0 329.488 2.321 10 0 EEAERP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898613351 693395526 /nfs/dbraw/zinc/39/55/26/693395526.db2.gz CYBVMILANICAOW-KRWDZBQOSA-N 2 0 345.462 2.344 10 0 EEAERP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485570281 1191839375 /nfs/dbraw/zinc/83/93/75/1191839375.db2.gz BMGVIKVPUKKEIG-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001485646887 1191878469 /nfs/dbraw/zinc/87/84/69/1191878469.db2.gz MIFDPXNYHPAUEA-WBVHZDCISA-N 2 0 346.475 2.048 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cn1 ZINC001485723421 1191910550 /nfs/dbraw/zinc/91/05/50/1191910550.db2.gz DHSPKMGONUCZDN-GOEBONIOSA-N 2 0 347.507 2.205 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001485739762 1191916980 /nfs/dbraw/zinc/91/69/80/1191916980.db2.gz ZRIZPKFZQCJUFY-RDJZCZTQSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ccccc1OCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266359490 1176398917 /nfs/dbraw/zinc/39/89/17/1176398917.db2.gz WUSNSUSZIWANEY-SFHVURJKSA-N 2 0 345.487 2.050 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001266596281 1176910033 /nfs/dbraw/zinc/91/00/33/1176910033.db2.gz ZGWNSCHVSDSHGK-BRWVUGGUSA-N 2 0 325.472 2.404 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccc(Cl)cc3)C2)C1 ZINC001266638560 1177038935 /nfs/dbraw/zinc/03/89/35/1177038935.db2.gz YOVVJXMUMAVUMX-SZMVWBNQSA-N 2 0 349.906 2.461 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266641549 1177041710 /nfs/dbraw/zinc/04/17/10/1177041710.db2.gz HTNLTOLRSAEQCS-IYARVYRRSA-N 2 0 344.503 2.393 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccc(Cl)nc1 ZINC001691055324 1177466942 /nfs/dbraw/zinc/46/69/42/1177466942.db2.gz BPUUSVBCZIUSHV-UHFFFAOYSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1c(C(=O)NC[C@H]2C[C@H]([NH2+]CCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001691152921 1177645790 /nfs/dbraw/zinc/64/57/90/1177645790.db2.gz DJKHVKGFLLNEEM-WKILWMFISA-N 2 0 344.459 2.166 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001691165666 1177662997 /nfs/dbraw/zinc/66/29/97/1177662997.db2.gz CWKLMYZXQCDKSK-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1nc(C)c(C)s1 ZINC001691340121 1177936016 /nfs/dbraw/zinc/93/60/16/1177936016.db2.gz XMALURZYROPSCI-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001480914327 1178114620 /nfs/dbraw/zinc/11/46/20/1178114620.db2.gz WUJGAOQVBYZPGR-OAHLLOKOSA-N 2 0 328.460 2.058 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001267069762 1178185678 /nfs/dbraw/zinc/18/56/78/1178185678.db2.gz CWZUTPPFNZGFGU-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267133438 1178304588 /nfs/dbraw/zinc/30/45/88/1178304588.db2.gz GWGTVKCOPJJBLS-CYBMUJFWSA-N 2 0 341.415 2.237 10 0 EEAERP C[N@H+](CCNC(=O)CCc1c[nH]cn1)Cc1ccc2cc[nH]c2c1 ZINC001267199933 1178482760 /nfs/dbraw/zinc/48/27/60/1178482760.db2.gz ZBDJIAKRJZUIJZ-UHFFFAOYSA-N 2 0 325.416 2.072 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001267296536 1178703401 /nfs/dbraw/zinc/70/34/01/1178703401.db2.gz PKZKVJSCGPMYAD-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCCOc1cccc(C[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001691459282 1178869457 /nfs/dbraw/zinc/86/94/57/1178869457.db2.gz WCPYKVAUNMIAFD-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001267398108 1178968272 /nfs/dbraw/zinc/96/82/72/1178968272.db2.gz ZKRQMASHFAZNOU-CYBMUJFWSA-N 2 0 348.318 2.247 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)c2ccccc2CC[NH+](C)C)O1 ZINC001267409614 1178971623 /nfs/dbraw/zinc/97/16/23/1178971623.db2.gz UFEJHYHRWJFSTQ-SJLPKXTDSA-N 2 0 347.503 2.020 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001267429196 1178995768 /nfs/dbraw/zinc/99/57/68/1178995768.db2.gz SEKSIGCPWCPDGU-MJGOQNOKSA-N 2 0 343.515 2.496 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCc2ccccc21)[NH+](C)C ZINC001267430598 1179005909 /nfs/dbraw/zinc/00/59/09/1179005909.db2.gz RQDFIRFNKXXNDY-MJGOQNOKSA-N 2 0 331.504 2.495 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)sn1 ZINC001267455989 1179038228 /nfs/dbraw/zinc/03/82/28/1179038228.db2.gz JEMOVEIAHAUWCE-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001267473298 1179104321 /nfs/dbraw/zinc/10/43/21/1179104321.db2.gz INWYJXBTIUXRGF-IRXDYDNUSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001267513659 1179231667 /nfs/dbraw/zinc/23/16/67/1179231667.db2.gz ASQOZULZVIWQED-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001481041358 1179602714 /nfs/dbraw/zinc/60/27/14/1179602714.db2.gz CXGZBFVRGDWWMW-STQMWFEESA-N 2 0 341.393 2.199 10 0 EEAERP O=C(NCC1C[NH+](CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001267685199 1180157591 /nfs/dbraw/zinc/15/75/91/1180157591.db2.gz AUWAIXFIFHCPGN-UHFFFAOYSA-N 2 0 325.472 2.050 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001267921173 1180768105 /nfs/dbraw/zinc/76/81/05/1180768105.db2.gz LAOPBSMPOGOJOJ-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001481457155 1181408195 /nfs/dbraw/zinc/40/81/95/1181408195.db2.gz KVMBOOUWOSEOLY-IAGOWNOFSA-N 2 0 349.544 2.461 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001481461878 1181456118 /nfs/dbraw/zinc/45/61/18/1181456118.db2.gz KHLFZVZZSXUPFR-CQSZACIVSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268078257 1181686258 /nfs/dbraw/zinc/68/62/58/1181686258.db2.gz CMTUDHWIEPMKCW-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP O=C(CCc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001268154318 1181848949 /nfs/dbraw/zinc/84/89/49/1181848949.db2.gz LQAUQEKTROLPQE-ZWKOTPCHSA-N 2 0 348.491 2.272 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001481753732 1182553056 /nfs/dbraw/zinc/55/30/56/1182553056.db2.gz XSXZVMNEKJIORG-GOSISDBHSA-N 2 0 332.492 2.071 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1conc1C ZINC001481827309 1182757835 /nfs/dbraw/zinc/75/78/35/1182757835.db2.gz CGHCRHLVTHTDSC-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C[NH+]1CCC(C)CC1 ZINC001268486481 1182965439 /nfs/dbraw/zinc/96/54/39/1182965439.db2.gz ATEYRNBSNWCECA-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001481948019 1183015013 /nfs/dbraw/zinc/01/50/13/1183015013.db2.gz LKNFDSGGCZCZMY-LJQANCHMSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001481963354 1183037320 /nfs/dbraw/zinc/03/73/20/1183037320.db2.gz VRNUDIVONSRDND-KDOFPFPSSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001481976134 1183073109 /nfs/dbraw/zinc/07/31/09/1183073109.db2.gz FGVRIVZBMLVGQE-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)s1 ZINC001482027840 1183158467 /nfs/dbraw/zinc/15/84/67/1183158467.db2.gz RBXCGDOQRILYHL-SHTZXODSSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C2CCC2)s1 ZINC001268550088 1183237541 /nfs/dbraw/zinc/23/75/41/1183237541.db2.gz MEUGPNWOXMNVCY-PLNGDYQASA-N 2 0 336.505 2.006 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(F)cc1)C12CCC[NH+](CCC1)C2 ZINC001268555474 1183246359 /nfs/dbraw/zinc/24/63/59/1183246359.db2.gz JSLBZAXNCUZXBD-OWOJBTEDSA-N 2 0 345.462 2.464 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001268557548 1183250658 /nfs/dbraw/zinc/25/06/58/1183250658.db2.gz SVCLMLJFEFCHTR-OGZRUICASA-N 2 0 325.403 2.067 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482130608 1183380121 /nfs/dbraw/zinc/38/01/21/1183380121.db2.gz HBOIBTSGHGJPEC-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268598497 1183501799 /nfs/dbraw/zinc/50/17/99/1183501799.db2.gz XLTREGISXGVTCR-XFHJGTJQSA-N 2 0 344.503 2.417 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268598496 1183501897 /nfs/dbraw/zinc/50/18/97/1183501897.db2.gz XLTREGISXGVTCR-QWNKOJSDSA-N 2 0 344.503 2.417 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001268625116 1183547656 /nfs/dbraw/zinc/54/76/56/1183547656.db2.gz LGFCOWQUMHQPQI-KBIGUFJUSA-N 2 0 337.414 2.240 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268639280 1183568267 /nfs/dbraw/zinc/56/82/67/1183568267.db2.gz GHNMZZSKIDDQOA-POWBCIFLSA-N 2 0 345.487 2.287 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269083180 1183946169 /nfs/dbraw/zinc/94/61/69/1183946169.db2.gz BUQPEQJZJPLWFJ-GDBMZVCRSA-N 2 0 325.472 2.095 10 0 EEAERP Cc1ccccc1OCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001269272245 1184124318 /nfs/dbraw/zinc/12/43/18/1184124318.db2.gz IVVWYMWMWBDTTF-QZTJIDSGSA-N 2 0 345.487 2.049 10 0 EEAERP CC[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472174 1184292310 /nfs/dbraw/zinc/29/23/10/1184292310.db2.gz WMEYPWVIVIDFPA-MAUKXSAKSA-N 2 0 345.503 2.108 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001269607186 1184434782 /nfs/dbraw/zinc/43/47/82/1184434782.db2.gz WVMMXHMIGFODFL-IUODEOHRSA-N 2 0 334.291 2.274 10 0 EEAERP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001482238327 1184526665 /nfs/dbraw/zinc/52/66/65/1184526665.db2.gz OAWBXDWLNNHTSY-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001270017624 1184789622 /nfs/dbraw/zinc/78/96/22/1184789622.db2.gz JGPLVVLSECKDAW-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001270020383 1184791527 /nfs/dbraw/zinc/79/15/27/1184791527.db2.gz ASYMVQLDSARRME-AEFFLSMTSA-N 2 0 333.451 2.043 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001270041837 1184805934 /nfs/dbraw/zinc/80/59/34/1184805934.db2.gz KYYWIPZICGPWOA-VPLLLXJESA-N 2 0 339.524 2.301 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001270559910 1185170044 /nfs/dbraw/zinc/17/00/44/1185170044.db2.gz VVWCTUQSBIAKAI-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001270595803 1185192511 /nfs/dbraw/zinc/19/25/11/1185192511.db2.gz QDOQFRANIHVFBQ-APWZRJJASA-N 2 0 331.504 2.085 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482370149 1185535389 /nfs/dbraw/zinc/53/53/89/1185535389.db2.gz RYGTZAYRBFLXCY-MRXNPFEDSA-N 2 0 334.508 2.029 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001482444108 1185751182 /nfs/dbraw/zinc/75/11/82/1185751182.db2.gz IQTOPRCLCACZLD-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001270959114 1185773785 /nfs/dbraw/zinc/77/37/85/1185773785.db2.gz SHDAQRRPVABHPZ-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271553828 1186306329 /nfs/dbraw/zinc/30/63/29/1186306329.db2.gz YRJTYCQOGDHTEU-CVEARBPZSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1cccnc1 ZINC001482538356 1186595309 /nfs/dbraw/zinc/59/53/09/1186595309.db2.gz SOEBGZJOBIRWJL-GOSISDBHSA-N 2 0 344.503 2.188 10 0 EEAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001482551555 1186660838 /nfs/dbraw/zinc/66/08/38/1186660838.db2.gz RLEFWYZAMBPBPE-GDBMZVCRSA-N 2 0 345.478 2.494 10 0 EEAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482599675 1187333706 /nfs/dbraw/zinc/33/37/06/1187333706.db2.gz YTYRCJFAQNVVSX-GOSISDBHSA-N 2 0 333.520 2.299 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001482846481 1187765209 /nfs/dbraw/zinc/76/52/09/1187765209.db2.gz KEUYOHFYCUNZML-UKRRQHHQSA-N 2 0 338.521 2.174 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1F ZINC001482865204 1187784638 /nfs/dbraw/zinc/78/46/38/1187784638.db2.gz HIULZTCRXBLADM-HNNXBMFYSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899706 1187812329 /nfs/dbraw/zinc/81/23/29/1187812329.db2.gz UWZWNKXOWZYHSG-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cc(F)ccc1F)[C@H]1C[NH+]2CCC1CC2 ZINC001483010095 1187992946 /nfs/dbraw/zinc/99/29/46/1187992946.db2.gz JARSBVUWZYWVRI-YYZONTRBSA-N 2 0 349.425 2.069 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1Cl)C(=O)C[NH+]1CCCC1 ZINC001691602895 1188303013 /nfs/dbraw/zinc/30/30/13/1188303013.db2.gz JZRMDXRQZUOWHP-UHFFFAOYSA-N 2 0 327.831 2.123 10 0 EEAERP Cc1cncc(C[NH2+]CC2CC(NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001409284784 1188598805 /nfs/dbraw/zinc/59/88/05/1188598805.db2.gz MBERHWYTQKJCOS-UHFFFAOYSA-N 2 0 344.503 2.250 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001272853122 1193576902 /nfs/dbraw/zinc/57/69/02/1193576902.db2.gz DUKLDZMZCHZFMP-AWEZNQCLSA-N 2 0 343.462 2.392 10 0 EEAERP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409367339 1189587888 /nfs/dbraw/zinc/58/78/88/1189587888.db2.gz BKRMDGXWJMRXDE-OLZOCXBDSA-N 2 0 341.883 2.283 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001409421716 1189652545 /nfs/dbraw/zinc/65/25/45/1189652545.db2.gz GKHPYYPGMXEAJL-IAGOWNOFSA-N 2 0 346.519 2.493 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001409423587 1189654768 /nfs/dbraw/zinc/65/47/68/1189654768.db2.gz QXSJJASDWXBKIZ-UONOGXRCSA-N 2 0 348.491 2.014 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001409428789 1189663837 /nfs/dbraw/zinc/66/38/37/1189663837.db2.gz OYBOIQNMXQFBSM-CABCVRRESA-N 2 0 330.476 2.493 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409476223 1189808591 /nfs/dbraw/zinc/80/85/91/1189808591.db2.gz RKSKSMIXUWIBPJ-KGLIPLIRSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001409478709 1189817343 /nfs/dbraw/zinc/81/73/43/1189817343.db2.gz UGXUKLVSPHLQHU-KBPBESRZSA-N 2 0 339.430 2.086 10 0 EEAERP CON1CC[C@H](NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000905755059 1189911269 /nfs/dbraw/zinc/91/12/69/1189911269.db2.gz JWXPELMTNMIKFN-FCEWJHQRSA-N 2 0 345.487 2.416 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001485956500 1193648492 /nfs/dbraw/zinc/64/84/92/1193648492.db2.gz XVYDCHJGTQXIOC-ZWKOTPCHSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)cn1 ZINC001485929790 1193649247 /nfs/dbraw/zinc/64/92/47/1193649247.db2.gz DUCCWWXEHBXIHS-JKSUJKDBSA-N 2 0 347.507 2.014 10 0 EEAERP Cc1nc(C)c(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001409624181 1190118780 /nfs/dbraw/zinc/11/87/80/1190118780.db2.gz WOWKCLHWYUMNBB-CHWSQXEVSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001409666942 1190166037 /nfs/dbraw/zinc/16/60/37/1190166037.db2.gz ADKHYCMVNPTMEU-RDTXWAMCSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266239 1190291435 /nfs/dbraw/zinc/29/14/35/1190291435.db2.gz ICHGVRGSQOTDKH-CVEARBPZSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1cncs1 ZINC001483359228 1190401450 /nfs/dbraw/zinc/40/14/50/1190401450.db2.gz DFEWSSHFZCEQJE-ZBFHGGJFSA-N 2 0 338.521 2.200 10 0 EEAERP O=C(N[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001483600739 1190580352 /nfs/dbraw/zinc/58/03/52/1190580352.db2.gz JVUISAYFQHHYON-DZGCQCFKSA-N 2 0 341.446 2.002 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1c(F)cccc1F)C1CC1)C12CC[NH+](CC1)C2 ZINC001483601778 1190582840 /nfs/dbraw/zinc/58/28/40/1190582840.db2.gz QFRDBNXICZTYMY-QGZVFWFLSA-N 2 0 349.425 2.045 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001483605345 1190583954 /nfs/dbraw/zinc/58/39/54/1190583954.db2.gz IZVVQOGCDGCBFJ-NVXWUHKLSA-N 2 0 335.879 2.276 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122639 1193688260 /nfs/dbraw/zinc/68/82/60/1193688260.db2.gz SXBAOBZZMWCXPN-HIFRSBDPSA-N 2 0 336.480 2.137 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486123679 1193688489 /nfs/dbraw/zinc/68/84/89/1193688489.db2.gz GKWIKMBPCBXIOL-GOEBONIOSA-N 2 0 337.895 2.413 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cncc(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409837607 1190668399 /nfs/dbraw/zinc/66/83/99/1190668399.db2.gz LBVVGPICAOPAQM-ROUUACIJSA-N 2 0 332.492 2.106 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN1Cc1ccc2ncccc2c1 ZINC001483710025 1190792122 /nfs/dbraw/zinc/79/21/22/1190792122.db2.gz RXDWOFYMZNZRPV-SFHVURJKSA-N 2 0 340.471 2.266 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c1 ZINC001483767180 1191000939 /nfs/dbraw/zinc/00/09/39/1191000939.db2.gz CHJSRKKFSRTTGE-JKSUJKDBSA-N 2 0 345.487 2.336 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)sn1 ZINC001483918354 1191116245 /nfs/dbraw/zinc/11/62/45/1191116245.db2.gz XXAQKQHPLHMYDD-GJZGRUSLSA-N 2 0 338.521 2.261 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001483933427 1191123080 /nfs/dbraw/zinc/12/30/80/1191123080.db2.gz AGQWTWLJABTPGY-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+](C[C@H](C)OC)C2)C1 ZINC001484023316 1191160950 /nfs/dbraw/zinc/16/09/50/1191160950.db2.gz ZSVUNXSEVNIJSV-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484092727 1191207036 /nfs/dbraw/zinc/20/70/36/1191207036.db2.gz BPLPPBGDZJXDLJ-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3cc(C)no3)C2)CC[N@@H+]1C ZINC001484092926 1191207286 /nfs/dbraw/zinc/20/72/86/1191207286.db2.gz CKQGXKIYRYKXIH-YQVWRLOYSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001484162298 1191250316 /nfs/dbraw/zinc/25/03/16/1191250316.db2.gz ZFERALFWGRILJP-IIAWOOMASA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484349167 1191313603 /nfs/dbraw/zinc/31/36/03/1191313603.db2.gz YZLURRAOEATPCN-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001484359610 1191315475 /nfs/dbraw/zinc/31/54/75/1191315475.db2.gz XDOWCNMAALUVRQ-ZBFHGGJFSA-N 2 0 348.491 2.219 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001484467631 1191372012 /nfs/dbraw/zinc/37/20/12/1191372012.db2.gz MSJQWOPZENXWRV-IAGOWNOFSA-N 2 0 325.472 2.287 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC001484535828 1191403781 /nfs/dbraw/zinc/40/37/81/1191403781.db2.gz LIOBGJQBEDHKEQ-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCCC2)C1)[NH+](CC)CC ZINC001484693220 1191469015 /nfs/dbraw/zinc/46/90/15/1191469015.db2.gz SMLDPFPLBISKSX-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001484875674 1191558828 /nfs/dbraw/zinc/55/88/28/1191558828.db2.gz NFHUDNHHRABWIS-IBGZPJMESA-N 2 0 347.503 2.241 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001484906367 1191570396 /nfs/dbraw/zinc/57/03/96/1191570396.db2.gz RCAYAFBEXKYYRE-RDJZCZTQSA-N 2 0 347.528 2.213 10 0 EEAERP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485006420 1191612620 /nfs/dbraw/zinc/61/26/20/1191612620.db2.gz SEVSQYHMGZEVAG-LPHOPBHVSA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485157541 1191673370 /nfs/dbraw/zinc/67/33/70/1191673370.db2.gz MFHADLMZHCBKQG-QWHCGFSZSA-N 2 0 339.430 2.432 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189267 1191685472 /nfs/dbraw/zinc/68/54/72/1191685472.db2.gz KYEONLXGACFFOA-CABCVRRESA-N 2 0 349.523 2.097 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485193877 1191687671 /nfs/dbraw/zinc/68/76/71/1191687671.db2.gz LCYDSGXWTOMAOP-STQMWFEESA-N 2 0 338.496 2.252 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001485485231 1191815127 /nfs/dbraw/zinc/81/51/27/1191815127.db2.gz OEBXCFJYHBUSJH-GOSISDBHSA-N 2 0 339.524 2.260 10 0 EEAERP CN(C)c1ccccc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001486411877 1193920704 /nfs/dbraw/zinc/92/07/04/1193920704.db2.gz VAZTWXMKXUBGNZ-SFHVURJKSA-N 2 0 348.535 2.325 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCF)cc1F ZINC001486525582 1194048342 /nfs/dbraw/zinc/04/83/42/1194048342.db2.gz PVYPSIGDCJWLQO-QGZVFWFLSA-N 2 0 339.430 2.375 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001273017303 1194324053 /nfs/dbraw/zinc/32/40/53/1194324053.db2.gz GPUREYFHWHXISA-GOSISDBHSA-N 2 0 345.487 2.132 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001410183034 1197590070 /nfs/dbraw/zinc/59/00/70/1197590070.db2.gz LCEPRUHGOSZWGS-HZSPNIEDSA-N 2 0 335.414 2.107 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC[C@H]2CCCCO2)CC1 ZINC001410254599 1197639589 /nfs/dbraw/zinc/63/95/89/1197639589.db2.gz BXJVXOHKDJVLBA-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001410392903 1197793846 /nfs/dbraw/zinc/79/38/46/1197793846.db2.gz VALGWEWLAYPMTR-WMZOPIPTSA-N 2 0 332.492 2.199 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CCO1 ZINC001273291665 1197962084 /nfs/dbraw/zinc/96/20/84/1197962084.db2.gz DXWQQMLWEIEBPC-SFHVURJKSA-N 2 0 347.503 2.021 10 0 EEAERP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)C1CCCC1 ZINC000872158259 1198064061 /nfs/dbraw/zinc/06/40/61/1198064061.db2.gz UMIZQLDGFURFKI-FFGOWVMKSA-N 2 0 335.536 2.469 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000865250998 1198141334 /nfs/dbraw/zinc/14/13/34/1198141334.db2.gz JRTDRIICVSARPU-UHFFFAOYSA-N 2 0 340.581 2.257 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)c1 ZINC001410862666 1198512933 /nfs/dbraw/zinc/51/29/33/1198512933.db2.gz STVDOXLVLBNHGE-MAUKXSAKSA-N 2 0 333.476 2.114 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cccc3cccnc32)CN1C(=O)CC[NH+](C)C ZINC001410872702 1198525395 /nfs/dbraw/zinc/52/53/95/1198525395.db2.gz SKDSFHGCYHPFPM-MAUKXSAKSA-N 2 0 340.471 2.266 10 0 EEAERP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CO2 ZINC000873223148 1198534621 /nfs/dbraw/zinc/53/46/21/1198534621.db2.gz KSDSNFQENJUWIC-VXGBXAGGSA-N 2 0 325.250 2.484 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cscn1)CC2 ZINC001410893335 1198547991 /nfs/dbraw/zinc/54/79/91/1198547991.db2.gz GWHMHZRVIJWLFX-DOTOQJQBSA-N 2 0 336.505 2.098 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870866115 1200919979 /nfs/dbraw/zinc/91/99/79/1200919979.db2.gz OCLVPQZMQBJDOW-UWVAXJGDSA-N 2 0 345.487 2.151 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000866665360 1201574502 /nfs/dbraw/zinc/57/45/02/1201574502.db2.gz UZZLXRSPODIBIE-VORVDVFJSA-N 2 0 344.455 2.327 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2sccc2Cl)C1 ZINC001274579468 1205086881 /nfs/dbraw/zinc/08/68/81/1205086881.db2.gz UNQGDEBMVREESJ-QAVQXKDTSA-N 2 0 327.881 2.115 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C\c2ccccc2)C1 ZINC001275273955 1205296385 /nfs/dbraw/zinc/29/63/85/1205296385.db2.gz BRQHYPMBIHHZGY-FSYKUAPDSA-N 2 0 327.472 2.278 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001275279378 1205297185 /nfs/dbraw/zinc/29/71/85/1205297185.db2.gz TUGJJMCGYFHMTR-SOEBMCCKSA-N 2 0 327.488 2.341 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001411870596 1205565203 /nfs/dbraw/zinc/56/52/03/1205565203.db2.gz VFPJJXNFBULHMK-ROUUACIJSA-N 2 0 333.451 2.153 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)o1 ZINC001276001439 1205628460 /nfs/dbraw/zinc/62/84/60/1205628460.db2.gz JKPNKMPROMYANO-QGZVFWFLSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)o1 ZINC001276070636 1205760068 /nfs/dbraw/zinc/76/00/68/1205760068.db2.gz JSZNXKVNNSHZMA-IRXDYDNUSA-N 2 0 348.491 2.246 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001412666553 1205819683 /nfs/dbraw/zinc/81/96/83/1205819683.db2.gz WUJWEHJLJIOOOB-NXHRZFHOSA-N 2 0 333.451 2.200 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)sc1C ZINC001276213639 1205839205 /nfs/dbraw/zinc/83/92/05/1205839205.db2.gz BLRFALWFNGVPKM-MRXNPFEDSA-N 2 0 340.537 2.284 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccnc1 ZINC001276258639 1205858764 /nfs/dbraw/zinc/85/87/64/1205858764.db2.gz MAKPZGIVADAMFJ-SFHVURJKSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924569776 1205997334 /nfs/dbraw/zinc/99/73/34/1205997334.db2.gz JJUDYADCGKLJOP-SFTDATJTSA-N 2 0 345.531 2.455 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000925324557 1206097261 /nfs/dbraw/zinc/09/72/61/1206097261.db2.gz NHTGNNPNULQXRU-SCTDSRPQSA-N 2 0 344.503 2.385 10 0 EEAERP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1OCC(=O)N(C)C ZINC000925472781 1206116735 /nfs/dbraw/zinc/11/67/35/1206116735.db2.gz IHPSBTCOYJZIIZ-JQHSSLGASA-N 2 0 345.487 2.464 10 0 EEAERP C(Cc1nnc2n1CCCCC2)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925534259 1206124390 /nfs/dbraw/zinc/12/43/90/1206124390.db2.gz UFSYCSWCIXHICJ-IRXDYDNUSA-N 2 0 331.508 2.305 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925594823 1206133452 /nfs/dbraw/zinc/13/34/52/1206133452.db2.gz HNMWVTNBWSZVLW-RLCCDNCMSA-N 2 0 337.414 2.061 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 ZINC000925734107 1206147750 /nfs/dbraw/zinc/14/77/50/1206147750.db2.gz NJVQMATYKFGZRN-KCYZZUKISA-N 2 0 336.501 2.487 10 0 EEAERP Cc1cc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nn1C ZINC000925832613 1206158424 /nfs/dbraw/zinc/15/84/24/1206158424.db2.gz GMWUBGFBEZHQAU-HKUYNNGSSA-N 2 0 326.444 2.117 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925853261 1206160908 /nfs/dbraw/zinc/16/09/08/1206160908.db2.gz GIWCZSYZGFDPDH-NVXWUHKLSA-N 2 0 332.419 2.478 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000925902669 1206165780 /nfs/dbraw/zinc/16/57/80/1206165780.db2.gz KCZMEEHNWITSDH-NJAFHUGGSA-N 2 0 347.507 2.199 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000925902667 1206165813 /nfs/dbraw/zinc/16/58/13/1206165813.db2.gz KCZMEEHNWITSDH-BPQIPLTHSA-N 2 0 347.507 2.199 10 0 EEAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000926679073 1206237062 /nfs/dbraw/zinc/23/70/62/1206237062.db2.gz WLPFBFYVLHJLIG-CQSZACIVSA-N 2 0 335.496 2.148 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1cccnc1 ZINC000928833579 1206425760 /nfs/dbraw/zinc/42/57/60/1206425760.db2.gz ZMRQTQBTOAITDS-IBGZPJMESA-N 2 0 344.503 2.455 10 0 EEAERP CCCC[N@H+](CCCS(=O)(=O)NC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033933 1206601796 /nfs/dbraw/zinc/60/17/96/1206601796.db2.gz NAUTXEMGYWIYQH-UHFFFAOYSA-N 2 0 347.569 2.337 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001691735449 1210393913 /nfs/dbraw/zinc/39/39/13/1210393913.db2.gz JCVWIRKZQFDGJS-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP C[C@@H]1OC[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000717927318 1211594075 /nfs/dbraw/zinc/59/40/75/1211594075.db2.gz QPCVUXSDYDIUGV-AOIWGVFYSA-N 2 0 332.488 2.417 10 0 EEAERP CN(CCC[NH2+]CCCCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001276332754 1215754165 /nfs/dbraw/zinc/75/41/65/1215754165.db2.gz JMBIAGBYRCKZQQ-UHFFFAOYSA-N 2 0 335.414 2.253 10 0 EEAERP CN(C)c1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC001412946638 1216147315 /nfs/dbraw/zinc/14/73/15/1216147315.db2.gz GVDZDYNRAHKARN-UHFFFAOYSA-N 2 0 332.492 2.224 10 0 EEAERP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C12CC[NH+](CC1)C2 ZINC000900435251 1234352356 /nfs/dbraw/zinc/35/23/56/1234352356.db2.gz GJQSEUOARFUCRH-UHFFFAOYSA-N 2 0 333.501 2.172 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902745454 1238381607 /nfs/dbraw/zinc/38/16/07/1238381607.db2.gz OJMXALAETQPMAV-MJGOQNOKSA-N 2 0 331.504 2.243 10 0 EEAERP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729178 1241743070 /nfs/dbraw/zinc/74/30/70/1241743070.db2.gz JYWBEYJAXBHCCT-TXPKVOOTSA-N 2 0 330.428 2.321 10 0 EEAERP c1ccc2c(c1)COC21CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903731529 1241756498 /nfs/dbraw/zinc/75/64/98/1241756498.db2.gz ABLOTQMAJHDWTN-PKOBYXMFSA-N 2 0 328.456 2.277 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cnn1C ZINC000903890307 1242346878 /nfs/dbraw/zinc/34/68/78/1242346878.db2.gz BVINHNYALWCQHJ-WBVHZDCISA-N 2 0 330.451 2.475 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2csc(C(C)C)n2)cnn1C ZINC000903925538 1242520179 /nfs/dbraw/zinc/52/01/79/1242520179.db2.gz NTFABORZRJUHFD-AWEZNQCLSA-N 2 0 335.521 2.258 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccs2)C1)[NH+]1CCCC1 ZINC001490958026 1258509154 /nfs/dbraw/zinc/50/91/54/1258509154.db2.gz LDBLWMSMTKYHHL-DZKIICNBSA-N 2 0 336.505 2.000 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cncs1 ZINC001490977241 1258526308 /nfs/dbraw/zinc/52/63/08/1258526308.db2.gz WUMPSHCCIIOSHE-GOOCMWNKSA-N 2 0 336.505 2.095 10 0 EEAERP COCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491219299 1258799770 /nfs/dbraw/zinc/79/97/70/1258799770.db2.gz OWPGENMOMFQOHT-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCCCCF)C1 ZINC001491299887 1258924545 /nfs/dbraw/zinc/92/45/45/1258924545.db2.gz JXEMOWCGWWLBEB-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001491487108 1259137732 /nfs/dbraw/zinc/13/77/32/1259137732.db2.gz UUCBCNCXGWJKIQ-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CO[C@@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCOC1 ZINC000850342530 1277188673 /nfs/dbraw/zinc/18/86/73/1277188673.db2.gz MKZSMGQSVVBNGS-UZLBHIALSA-N 2 0 347.503 2.363 10 0 EEAERP FC(F)(F)c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)[nH]n1 ZINC000850344513 1277189172 /nfs/dbraw/zinc/18/91/72/1277189172.db2.gz LFGOBQHDRQFFLY-UHFFFAOYSA-N 2 0 346.397 2.409 10 0 EEAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n(C)n1 ZINC000850510225 1277254317 /nfs/dbraw/zinc/25/43/17/1277254317.db2.gz WEVKVOZEHGJTJO-CRAIPNDOSA-N 2 0 328.460 2.146 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001272774379 1277941759 /nfs/dbraw/zinc/94/17/59/1277941759.db2.gz UYGFHYAWEZPPAV-CJNGLKHVSA-N 2 0 338.521 2.309 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001489097233 1290369136 /nfs/dbraw/zinc/36/91/36/1290369136.db2.gz UPOCHYUSOKNLNP-ZIAGYGMSSA-N 2 0 337.430 2.355 10 0 EEAERP C[C@@H](O)CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001489348430 1290532951 /nfs/dbraw/zinc/53/29/51/1290532951.db2.gz VFVLLSZLJWKNBB-SJORKVTESA-N 2 0 341.540 2.096 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1cncc(F)c1 ZINC001490282536 1291114455 /nfs/dbraw/zinc/11/44/55/1291114455.db2.gz YJGRGWSMKUYEOK-HUUCEWRRSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1cncc(C[NH+](CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001490385145 1291271671 /nfs/dbraw/zinc/27/16/71/1291271671.db2.gz GWZJZHGAOHNLLI-MRXNPFEDSA-N 2 0 344.503 2.203 10 0 EEAERP O=C(NC[C@@H]([NH2+]CCc1cccs1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001490663906 1291585502 /nfs/dbraw/zinc/58/55/02/1291585502.db2.gz ABAXJYQTNBROOS-QZTJIDSGSA-N 2 0 347.528 2.117 10 0 EEAERP COc1ccc([C@H](C)NCC23CC(C2)C[NH2+]3)cc1Cn1cccn1 ZINC000854227454 1292677484 /nfs/dbraw/zinc/67/74/84/1292677484.db2.gz OUEPNXUFAZZAAD-XVTSOASTSA-N 2 0 326.444 2.343 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnoc3C)C2)ccn1 ZINC000856585684 1293572336 /nfs/dbraw/zinc/57/23/36/1293572336.db2.gz LPENBWDRPAREHL-SFHVURJKSA-N 2 0 330.432 2.483 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000863210516 1296151142 /nfs/dbraw/zinc/15/11/42/1296151142.db2.gz MYNFDJSUYAFERV-DLBZAZTESA-N 2 0 338.565 2.342 10 0 EEAERP C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927145197 1297036575 /nfs/dbraw/zinc/03/65/75/1297036575.db2.gz JZZZBLBPDMNZKD-JQHSSLGASA-N 2 0 339.487 2.173 10 0 EEAERP CC(C)(C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001491162979 1299642650 /nfs/dbraw/zinc/64/26/50/1299642650.db2.gz CPQCIKWTSUQPOO-DDJMYBDESA-N 2 0 327.900 2.442 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCCCCF)C3)C1 ZINC001276885950 1300110807 /nfs/dbraw/zinc/11/08/07/1300110807.db2.gz FAGSQQPMMXXCER-MRXNPFEDSA-N 2 0 325.472 2.002 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCCC1CCOCC1 ZINC001277771028 1304378771 /nfs/dbraw/zinc/37/87/71/1304378771.db2.gz KXAQPTYAXROKLO-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001277957908 1305306100 /nfs/dbraw/zinc/30/61/00/1305306100.db2.gz XMGQEIQIFITNBI-ZBFHGGJFSA-N 2 0 346.500 2.473 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841283910 1315521208 /nfs/dbraw/zinc/52/12/08/1315521208.db2.gz AXKVOHAHABKRKR-UHFFFAOYSA-N 2 0 334.464 2.266 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)n1 ZINC000841849899 1315623351 /nfs/dbraw/zinc/62/33/51/1315623351.db2.gz OOIOCDYHZRBDTA-ZGKBOVNRSA-N 2 0 336.867 2.019 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841851149 1315623394 /nfs/dbraw/zinc/62/33/94/1315623394.db2.gz KZSOYAQWHZYVKG-YOEHRIQHSA-N 2 0 336.867 2.035 10 0 EEAERP Cc1cc(=O)oc2cc(OCC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc12 ZINC000843386153 1315904365 /nfs/dbraw/zinc/90/43/65/1315904365.db2.gz CPYSJKQQEVVZJZ-IYBDPMFKSA-N 2 0 342.439 2.412 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCOCc1ccccc1 ZINC001278520038 1317127268 /nfs/dbraw/zinc/12/72/68/1317127268.db2.gz BSODZGNZNMPVQV-MJGOQNOKSA-N 2 0 347.503 2.124 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCOCC1 ZINC001278718230 1317841711 /nfs/dbraw/zinc/84/17/11/1317841711.db2.gz KGFFWJMOFHMUNE-UHFFFAOYSA-N 2 0 337.508 2.082 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCOC(C)C)C(C)(C)C ZINC001279034231 1319051713 /nfs/dbraw/zinc/05/17/13/1319051713.db2.gz LISGIFIYASNVNU-DLBZAZTESA-N 2 0 341.540 2.406 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001264409037 1322693324 /nfs/dbraw/zinc/69/33/24/1322693324.db2.gz ZZHVKICQRHCHHY-GASCZTMLSA-N 2 0 338.883 2.061 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1)C12CC[NH+](CC1)C2 ZINC001264436998 1322701935 /nfs/dbraw/zinc/70/19/35/1322701935.db2.gz NPTXTDDSFNYKSD-QAQDUYKDSA-N 2 0 347.528 2.261 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1F)[NH+](C)C ZINC001265032521 1322874541 /nfs/dbraw/zinc/87/45/41/1322874541.db2.gz XNAWSYBODXGSEL-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+](C)CCCNC(=O)c2cccc(C[NH+](C)C)c2)O1 ZINC001265072694 1322906469 /nfs/dbraw/zinc/90/64/69/1322906469.db2.gz CBJUIPOOOWWLQO-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001265083877 1322911893 /nfs/dbraw/zinc/91/18/93/1322911893.db2.gz UUWWNQCUQZHKQW-WMZOPIPTSA-N 2 0 349.523 2.218 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1c(F)cccc1F ZINC001265758681 1323366095 /nfs/dbraw/zinc/36/60/95/1323366095.db2.gz IGFFYBOPAJBTPW-CXAGYDPISA-N 2 0 339.430 2.086 10 0 EEAERP Cc1ccc(OCC[NH+](C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001265848383 1323422753 /nfs/dbraw/zinc/42/27/53/1323422753.db2.gz KLHQEVZIEQAXKE-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H](C)c1cnccn1 ZINC001266042687 1323592277 /nfs/dbraw/zinc/59/22/77/1323592277.db2.gz LPRQRWSHVXMWAN-AEFFLSMTSA-N 2 0 347.507 2.239 10 0 EEAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1nocc1C)[NH+](C)C ZINC001266241473 1323829422 /nfs/dbraw/zinc/82/94/22/1323829422.db2.gz OXCDQPTWCDAGJM-NVXWUHKLSA-N 2 0 336.480 2.184 10 0 EEAERP COCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001281293742 1324941102 /nfs/dbraw/zinc/94/11/02/1324941102.db2.gz VPWHDAVEJWNXQB-IBGZPJMESA-N 2 0 347.503 2.241 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001281890370 1325500656 /nfs/dbraw/zinc/50/06/56/1325500656.db2.gz NMZUKRBFYCGPEP-IRXDYDNUSA-N 2 0 348.491 2.048 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317162498 1325564937 /nfs/dbraw/zinc/56/49/37/1325564937.db2.gz UGLOVPWQTGNXDY-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001283941745 1326330395 /nfs/dbraw/zinc/33/03/95/1326330395.db2.gz ZPDBTLNZMJGAAH-ZWKOTPCHSA-N 2 0 345.487 2.049 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001284155810 1326439017 /nfs/dbraw/zinc/43/90/17/1326439017.db2.gz WKXCXJSQGYBNKV-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491603161 1330200811 /nfs/dbraw/zinc/20/08/11/1330200811.db2.gz RIYXWMTWOJBTRY-RDJZCZTQSA-N 2 0 332.492 2.249 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001491685733 1330205575 /nfs/dbraw/zinc/20/55/75/1330205575.db2.gz YTZZYAHKRQWXPQ-KBXCAEBGSA-N 2 0 348.491 2.267 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CCCC2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC001491736437 1330236216 /nfs/dbraw/zinc/23/62/16/1330236216.db2.gz QUYLHDUITDMDSU-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC001491882909 1330287896 /nfs/dbraw/zinc/28/78/96/1330287896.db2.gz RBCSFSJSGKUVST-GJZGRUSLSA-N 2 0 338.521 2.044 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001491935566 1330327398 /nfs/dbraw/zinc/32/73/98/1330327398.db2.gz YEBVVTACAHJHGC-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncc(F)c1 ZINC001492037094 1330461211 /nfs/dbraw/zinc/46/12/11/1330461211.db2.gz PQAHQTDCLHQNQQ-PBHICJAKSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2ccc(C)c(OC)c2)CC[N@@H+]1C ZINC001492256572 1331117786 /nfs/dbraw/zinc/11/77/86/1331117786.db2.gz HIOKRSBRAQVVDD-ZWKOTPCHSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001492256990 1331117817 /nfs/dbraw/zinc/11/78/17/1331117817.db2.gz JGHZOQCODHQCQY-QFBILLFUSA-N 2 0 329.488 2.446 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001316850183 1331445658 /nfs/dbraw/zinc/44/56/58/1331445658.db2.gz ARYMZGOAMIIIGU-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316878293 1331809860 /nfs/dbraw/zinc/80/98/60/1331809860.db2.gz MBZSJOSEGQMLDW-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1nc2ccccc2o1 ZINC001316845036 1331929985 /nfs/dbraw/zinc/92/99/85/1331929985.db2.gz ARARBDZQPLYGLG-UHFFFAOYSA-N 2 0 344.459 2.108 10 0 EEAERP COC[C@@H](C)[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001316924178 1331990825 /nfs/dbraw/zinc/99/08/25/1331990825.db2.gz YFQOPHXSLQNRCJ-CQSZACIVSA-N 2 0 344.459 2.262 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001316950131 1332011054 /nfs/dbraw/zinc/01/10/54/1332011054.db2.gz JFTASRKQNLSXJP-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001317166221 1332108683 /nfs/dbraw/zinc/10/86/83/1332108683.db2.gz XGVRLFGNJTUXBQ-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCOc2ccc(C)cc2)CC[N@@H+]1C ZINC001317241821 1332149374 /nfs/dbraw/zinc/14/93/74/1332149374.db2.gz MZZJZKMPICUWLO-YTQUADARSA-N 2 0 347.503 2.198 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CCCCCF)C2)CC1 ZINC001317339249 1332185270 /nfs/dbraw/zinc/18/52/70/1332185270.db2.gz UYPURRFMALLJIJ-KRWDZBQOSA-N 2 0 327.488 2.296 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001317339119 1332185417 /nfs/dbraw/zinc/18/54/17/1332185417.db2.gz QIZFPHWKJSTTHP-UTQLBYGMSA-N 2 0 345.890 2.390 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CC1CCOCC1 ZINC001317433193 1332237337 /nfs/dbraw/zinc/23/73/37/1332237337.db2.gz CYWRXTSCZDALHP-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317653393 1332350994 /nfs/dbraw/zinc/35/09/94/1332350994.db2.gz FXAIQZDXUDVTHM-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1conc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001317686332 1332373099 /nfs/dbraw/zinc/37/30/99/1332373099.db2.gz KSZNYVJMXMFCSV-HZPDHXFCSA-N 2 0 336.480 2.040 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317931398 1332445338 /nfs/dbraw/zinc/44/53/38/1332445338.db2.gz NVNRWLSDEXCVRN-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](CCCCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001318365868 1332517149 /nfs/dbraw/zinc/51/71/49/1332517149.db2.gz NMBMWTBXJHASMJ-GOSISDBHSA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318594327 1332565588 /nfs/dbraw/zinc/56/55/88/1332565588.db2.gz HFPPEOLQTRAINI-GJZGRUSLSA-N 2 0 338.883 2.061 10 0 EEAERP CCN(CC[NH2+]Cc1ccncc1Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320891302 1332973057 /nfs/dbraw/zinc/97/30/57/1332973057.db2.gz HCTCUAMJQGPWHJ-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001320998992 1332994444 /nfs/dbraw/zinc/99/44/44/1332994444.db2.gz SDGMBMANSSGGIG-SHCNBLLESA-N 2 0 330.476 2.061 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)cc2F)CCC1 ZINC001321091817 1333017029 /nfs/dbraw/zinc/01/70/29/1333017029.db2.gz JVSYTUMZESOWQQ-ONEGZZNKSA-N 2 0 337.414 2.211 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001321108244 1333020602 /nfs/dbraw/zinc/02/06/02/1333020602.db2.gz DWUCMRYUABSIQY-ZRKWLUJRSA-N 2 0 343.515 2.394 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC001321224715 1333048989 /nfs/dbraw/zinc/04/89/89/1333048989.db2.gz UPMVERHJRUTOHG-APHBUQMISA-N 2 0 329.488 2.450 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001321248619 1333054894 /nfs/dbraw/zinc/05/48/94/1333054894.db2.gz CFQUYIGMRLFKKA-VGOKWCNXSA-N 2 0 329.488 2.353 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001322542882 1333279407 /nfs/dbraw/zinc/27/94/07/1333279407.db2.gz GIRQJRXINLTESW-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP CCCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325055557 1333820554 /nfs/dbraw/zinc/82/05/54/1333820554.db2.gz UMCYCUOXVMIAKA-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001325679512 1333939285 /nfs/dbraw/zinc/93/92/85/1333939285.db2.gz KSVGWOAGFBTWIP-QAQDUYKDSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326410787 1334087371 /nfs/dbraw/zinc/08/73/71/1334087371.db2.gz CRTFGORESLGIMO-MSOLQXFVSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001326542095 1334112796 /nfs/dbraw/zinc/11/27/96/1334112796.db2.gz QVEOBGUHZWHQBK-YYIAUSFCSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC2CC[NH+](C3CC3)CC2)cc(Cl)n1 ZINC001327181055 1334241784 /nfs/dbraw/zinc/24/17/84/1334241784.db2.gz LYBNNXIRHMMCLP-OAHLLOKOSA-N 2 0 336.867 2.176 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001327657062 1334328935 /nfs/dbraw/zinc/32/89/35/1334328935.db2.gz WHKGLHNYBSBOGL-UHFFFAOYSA-N 2 0 327.513 2.019 10 0 EEAERP CCc1ccc(CC[NH2+]CC2CC(NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001328955346 1334555614 /nfs/dbraw/zinc/55/56/14/1334555614.db2.gz ODUZXFAPRUVYPD-UHFFFAOYSA-N 2 0 343.515 2.372 10 0 EEAERP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001329969204 1334750942 /nfs/dbraw/zinc/75/09/42/1334750942.db2.gz AOTQPCUFCGMWRI-GXTWGEPZSA-N 2 0 335.414 2.250 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCCCF)CC2(C)C)CCC1 ZINC001330209198 1334804439 /nfs/dbraw/zinc/80/44/39/1334804439.db2.gz IKUUUMMCCIYPEB-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001331471076 1335019376 /nfs/dbraw/zinc/01/93/76/1335019376.db2.gz WKJQYUACEUANJP-CYBMUJFWSA-N 2 0 338.883 2.156 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1sc(N2CCCCC2)nc1C ZINC001331763400 1335068205 /nfs/dbraw/zinc/06/82/05/1335068205.db2.gz ZIRBRTHBCZEZMY-UHFFFAOYSA-N 2 0 326.510 2.110 10 0 EEAERP C[C@H](CN1CCOCC1)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001413973311 1338832791 /nfs/dbraw/zinc/83/27/91/1338832791.db2.gz COEHVRMLZADBPK-NRSPTQNISA-N 2 0 343.515 2.019 10 0 EEAERP CC(C)(O)[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001434465307 1341849719 /nfs/dbraw/zinc/84/97/19/1341849719.db2.gz GZYRHSWFVHBVDT-SFHVURJKSA-N 2 0 332.488 2.106 10 0 EEAERP Cc1cc(N(C)CCNC(=O)CC2CC[NH+](C)CC2)nc(C(C)C)n1 ZINC001436002801 1342006760 /nfs/dbraw/zinc/00/67/60/1342006760.db2.gz GSNDFNNBWIAYNY-UHFFFAOYSA-N 2 0 347.507 2.193 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2nccs2)C1 ZINC001670219062 1356298690 /nfs/dbraw/zinc/29/86/90/1356298690.db2.gz XLDZTHXJBHLLRU-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP C[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccon2)C1)[NH+]1CCCCCC1 ZINC001500381597 1342184100 /nfs/dbraw/zinc/18/41/00/1342184100.db2.gz BBORYUSAPQUVEZ-APWZRJJASA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1C[NH+](CCCCCF)C1 ZINC001506628879 1342292448 /nfs/dbraw/zinc/29/24/48/1342292448.db2.gz JCSFTPDYPRULHM-MRXNPFEDSA-N 2 0 339.499 2.439 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H](Cc2ccccc2)[NH2+]CC2CC2)C1 ZINC001507387923 1342318986 /nfs/dbraw/zinc/31/89/86/1342318986.db2.gz FRCIIEXDBIQQCD-MOPGFXCFSA-N 2 0 329.488 2.055 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001673985715 1356767714 /nfs/dbraw/zinc/76/77/14/1356767714.db2.gz PAQYGGNSFSJPFO-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCOCC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001673992912 1356768461 /nfs/dbraw/zinc/76/84/61/1356768461.db2.gz CVDWDWHLSPKVRO-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001674146353 1356798587 /nfs/dbraw/zinc/79/85/87/1356798587.db2.gz DDWQROPNKOMHIU-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CCCCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001566945178 1342656838 /nfs/dbraw/zinc/65/68/38/1342656838.db2.gz FBQLOGDXLYGTQP-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001567138968 1342700699 /nfs/dbraw/zinc/70/06/99/1342700699.db2.gz RIOSCZYQOCXRTE-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001567148744 1342701594 /nfs/dbraw/zinc/70/15/94/1342701594.db2.gz URUDVZAQMMNUGH-HZPDHXFCSA-N 2 0 335.517 2.071 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001567504327 1342773659 /nfs/dbraw/zinc/77/36/59/1342773659.db2.gz GNUHTMNJVIVXAC-KRWDZBQOSA-N 2 0 349.523 2.061 10 0 EEAERP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001567507565 1342775013 /nfs/dbraw/zinc/77/50/13/1342775013.db2.gz GQEUWLYEKMQDQY-UHFFFAOYSA-N 2 0 337.895 2.415 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569820764 1342952272 /nfs/dbraw/zinc/95/22/72/1342952272.db2.gz UQWVIPQUIGWMES-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001570006666 1342997369 /nfs/dbraw/zinc/99/73/69/1342997369.db2.gz RCEDKYHTPNBBJU-XPWVWULPSA-N 2 0 348.318 2.475 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001570142695 1343015415 /nfs/dbraw/zinc/01/54/15/1343015415.db2.gz RSMPCBNTOKFHRJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001570347163 1343058890 /nfs/dbraw/zinc/05/88/90/1343058890.db2.gz VJKFYIRFBSROOL-YJBOKZPZSA-N 2 0 339.443 2.284 10 0 EEAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001570626864 1343093908 /nfs/dbraw/zinc/09/39/08/1343093908.db2.gz HUXRZGWCUPHSPD-STQMWFEESA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001571459404 1343212900 /nfs/dbraw/zinc/21/29/00/1343212900.db2.gz DCKCDLAGCBZFDQ-NVXWUHKLSA-N 2 0 339.443 2.426 10 0 EEAERP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCF)CC1 ZINC001571650860 1343263234 /nfs/dbraw/zinc/26/32/34/1343263234.db2.gz HOLDHQZWKWIAPB-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001676461509 1357153088 /nfs/dbraw/zinc/15/30/88/1357153088.db2.gz MFEOAOAGHUOMLS-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C[NH2+]CCC2CC2)[C@H](C(F)(F)F)C1 ZINC001677052294 1357271694 /nfs/dbraw/zinc/27/16/94/1357271694.db2.gz OKMVIUHEQKUSBP-LSDHHAIUSA-N 2 0 349.441 2.353 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001677423424 1357329860 /nfs/dbraw/zinc/32/98/60/1357329860.db2.gz HFUFIDQCDUKDEK-UHFFFAOYSA-N 2 0 338.883 2.156 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001647326677 1353232040 /nfs/dbraw/zinc/23/20/40/1353232040.db2.gz LGQQRJMCNDLLOF-UHFFFAOYSA-N 2 0 335.414 2.253 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC(Cc3c[nH]cn3)CC2)C1 ZINC001649353268 1353492628 /nfs/dbraw/zinc/49/26/28/1353492628.db2.gz MQHBOOSNLQMVHF-GOSISDBHSA-N 2 0 336.455 2.403 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC001656571302 1354249064 /nfs/dbraw/zinc/24/90/64/1354249064.db2.gz OGZHGHHKZNRABF-MSOLQXFVSA-N 2 0 347.503 2.234 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001656889011 1354294147 /nfs/dbraw/zinc/29/41/47/1354294147.db2.gz COWZATQTPHLWMX-IXDOHACOSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1cncc(F)c1 ZINC001660190090 1354412667 /nfs/dbraw/zinc/41/26/67/1354412667.db2.gz HJCHJHAFCIEDHC-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cc(C)no1 ZINC001660631182 1354505054 /nfs/dbraw/zinc/50/50/54/1354505054.db2.gz AIPYXXXAQRRIAY-HZPDHXFCSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001662578167 1354807818 /nfs/dbraw/zinc/80/78/18/1354807818.db2.gz XQBGZFWZOHLKEQ-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001664391931 1355152875 /nfs/dbraw/zinc/15/28/75/1355152875.db2.gz URLZTGHSAULBGB-HOTGVXAUSA-N 2 0 333.476 2.116 10 0 EEAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001664463973 1355170733 /nfs/dbraw/zinc/17/07/33/1355170733.db2.gz YQZYOARIFYMAOE-INIZCTEOSA-N 2 0 327.488 2.295 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001665715333 1355370731 /nfs/dbraw/zinc/37/07/31/1355370731.db2.gz OSCMQAGELZBFLP-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001666323639 1355509272 /nfs/dbraw/zinc/50/92/72/1355509272.db2.gz WRORIBNMVRRJPQ-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001666808352 1355593617 /nfs/dbraw/zinc/59/36/17/1355593617.db2.gz FVOQVBBRFDXJQV-IRXDYDNUSA-N 2 0 339.524 2.303 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001666921586 1355615007 /nfs/dbraw/zinc/61/50/07/1355615007.db2.gz PUIYXPXIISOYCW-CYBMUJFWSA-N 2 0 338.883 2.156 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001668112619 1355874201 /nfs/dbraw/zinc/87/42/01/1355874201.db2.gz IIUZCHMRJTZABH-MAUKXSAKSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001668820364 1356012220 /nfs/dbraw/zinc/01/22/20/1356012220.db2.gz DWNRHSQFRGTHKZ-ZMBJWTFHSA-N 2 0 344.503 2.333 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001668827600 1356014819 /nfs/dbraw/zinc/01/48/19/1356014819.db2.gz JBFKEPGWYNHODX-REMYHPOOSA-N 2 0 347.890 2.444 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cnccc2C)C1 ZINC001668995259 1356063897 /nfs/dbraw/zinc/06/38/97/1356063897.db2.gz KDNCFBGGSDICBP-PYTPGESOSA-N 2 0 344.503 2.274 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001669188861 1356120727 /nfs/dbraw/zinc/12/07/27/1356120727.db2.gz JKFYWFVDRCTYDH-KBIGUFJUSA-N 2 0 337.414 2.240 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001669260382 1356137219 /nfs/dbraw/zinc/13/72/19/1356137219.db2.gz WYVFLSGDBYQREH-PBHICJAKSA-N 2 0 337.895 2.461 10 0 EEAERP C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001669474259 1356164042 /nfs/dbraw/zinc/16/40/42/1356164042.db2.gz JDRKSVRTOSAMQP-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001669603181 1356181756 /nfs/dbraw/zinc/18/17/56/1356181756.db2.gz AZJIMGZIVYZLQN-VTGFLYEISA-N 2 0 327.472 2.423 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C3CC3)no2)C1)[NH+](C)C ZINC001672896545 1356609659 /nfs/dbraw/zinc/60/96/59/1356609659.db2.gz HUZJHSNFVHAXLR-RDTXWAMCSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001673230086 1356656207 /nfs/dbraw/zinc/65/62/07/1356656207.db2.gz HEDQXXKJIICNFN-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673402130 1356686431 /nfs/dbraw/zinc/68/64/31/1356686431.db2.gz PERSETPVGQGKTC-MSOLQXFVSA-N 2 0 341.540 2.358 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001673922729 1356760173 /nfs/dbraw/zinc/76/01/73/1356760173.db2.gz CCUHGUXXTVZCGB-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCCC(F)(F)F)[C@@H](C)C1 ZINC001673929265 1356761826 /nfs/dbraw/zinc/76/18/26/1356761826.db2.gz QWNHCVBLSMWLPV-KBPBESRZSA-N 2 0 337.430 2.496 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001674022793 1356775972 /nfs/dbraw/zinc/77/59/72/1356775972.db2.gz GODAHRJHSICKMH-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001674563254 1356858493 /nfs/dbraw/zinc/85/84/93/1356858493.db2.gz XXZPJWVPXZLURQ-UHFFFAOYSA-N 2 0 327.432 2.165 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001675782009 1357049085 /nfs/dbraw/zinc/04/90/85/1357049085.db2.gz OIFVXDOZYMWTPW-WGSAOQKQSA-N 2 0 343.515 2.364 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ncc(C)o2)CC1 ZINC001698701005 1405018563 /nfs/dbraw/zinc/01/85/63/1405018563.db2.gz GQAIYYMYEAHHHO-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C\c1ccccc1 ZINC001698748126 1405041905 /nfs/dbraw/zinc/04/19/05/1405041905.db2.gz KEGTYPUOIZXGCM-XHTHECKVSA-N 2 0 329.488 2.382 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001698766930 1405051222 /nfs/dbraw/zinc/05/12/22/1405051222.db2.gz ZGHYIZBLJPJFPO-KRWDZBQOSA-N 2 0 345.531 2.475 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)C1 ZINC001699015825 1405231589 /nfs/dbraw/zinc/23/15/89/1405231589.db2.gz DUJWWVCUWWCXOK-HKUYNNGSSA-N 2 0 344.503 2.236 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2C)C1 ZINC001699131693 1405283216 /nfs/dbraw/zinc/28/32/16/1405283216.db2.gz VCPPRSIYEUKKDD-APWZRJJASA-N 2 0 346.519 2.496 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699367481 1405341645 /nfs/dbraw/zinc/34/16/45/1405341645.db2.gz LYDWSSBTJPVTJV-CXAGYDPISA-N 2 0 339.430 2.086 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)C12CC[NH+](CC1)C2 ZINC001699545210 1405379982 /nfs/dbraw/zinc/37/99/82/1405379982.db2.gz IRLDKJHEJDQMKV-SFHVURJKSA-N 2 0 327.472 2.208 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699550632 1405387230 /nfs/dbraw/zinc/38/72/30/1405387230.db2.gz JXXNTSNYFFBWJW-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP CCN1CCO[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001699551692 1405388406 /nfs/dbraw/zinc/38/84/06/1405388406.db2.gz RAZPKQTYFGATQW-HKUYNNGSSA-N 2 0 347.503 2.215 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001699595618 1405412224 /nfs/dbraw/zinc/41/22/24/1405412224.db2.gz UJEYAOHFUAWQRT-AWEZNQCLSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780114 775485132 /nfs/dbraw/zinc/48/51/32/775485132.db2.gz RWXJHIGCRIRKBG-MNOVXSKESA-N 2 0 346.809 2.287 10 0 EEAERP CC(C)[C@H](C[NH2+]C[C@H](O)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000819060385 785380584 /nfs/dbraw/zinc/38/05/84/785380584.db2.gz HOEHDBKYKBFKPE-ROUUACIJSA-N 2 0 339.911 2.235 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc(F)c2)(N2CCCCC2)CC1 ZINC000819110862 785428876 /nfs/dbraw/zinc/42/88/76/785428876.db2.gz JYAAWGHRYVQOPO-IBGZPJMESA-N 2 0 349.494 2.399 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915856 788473238 /nfs/dbraw/zinc/47/32/38/788473238.db2.gz KMPBABDFAZUKQU-RBUKOAKNSA-N 2 0 327.472 2.348 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)N1CC[NH+](C)CC1 ZINC000921520260 788818698 /nfs/dbraw/zinc/81/86/98/788818698.db2.gz HHESERVLZPAIFP-LJQANCHMSA-N 2 0 347.551 2.439 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000844172891 788885851 /nfs/dbraw/zinc/88/58/51/788885851.db2.gz JDHQBGSCHPVTCT-DZGCQCFKSA-N 2 0 338.883 2.234 10 0 EEAERP CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288460 788988202 /nfs/dbraw/zinc/98/82/02/788988202.db2.gz UCJSRWAVUBSFHX-AEFFLSMTSA-N 2 0 335.492 2.414 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)ccn2)CC1 ZINC000921538326 789119593 /nfs/dbraw/zinc/11/95/93/789119593.db2.gz IQGCIALAFSXJDH-GBESFXJTSA-N 2 0 344.503 2.128 10 0 EEAERP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000923271033 789264419 /nfs/dbraw/zinc/26/44/19/789264419.db2.gz INKZMNUTKSTXNR-RBUKOAKNSA-N 2 0 327.472 2.130 10 0 EEAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)COCc1ccccc1 ZINC000923308163 789334260 /nfs/dbraw/zinc/33/42/60/789334260.db2.gz DZYFMKLSUIIOCX-NXEWRWPSSA-N 2 0 332.488 2.417 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1OC(F)F ZINC000923305655 789347761 /nfs/dbraw/zinc/34/77/61/789347761.db2.gz ZFODJSRXTHLIBB-ZDUSSCGKSA-N 2 0 342.386 2.107 10 0 EEAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923420355 789536399 /nfs/dbraw/zinc/53/63/99/789536399.db2.gz HZIUVYYKQMQANR-ZWKOPEQDSA-N 2 0 333.259 2.449 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccncc1Br)CC2 ZINC000923447247 789558870 /nfs/dbraw/zinc/55/88/70/789558870.db2.gz QXLRSAOCETUGSC-ZDUSSCGKSA-N 2 0 340.265 2.174 10 0 EEAERP Cc1ccc(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923456790 789573815 /nfs/dbraw/zinc/57/38/15/789573815.db2.gz GRSFBGIWMBLDAE-INIZCTEOSA-N 2 0 331.460 2.072 10 0 EEAERP Cc1cc(C)c(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923458837 789578006 /nfs/dbraw/zinc/57/80/06/789578006.db2.gz VGPDESKMWNRJFC-KRWDZBQOSA-N 2 0 345.487 2.380 10 0 EEAERP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923497149 789671434 /nfs/dbraw/zinc/67/14/34/789671434.db2.gz FRPAYISZFSEXCN-ZIFCJYIRSA-N 2 0 347.503 2.187 10 0 EEAERP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923499274 789682841 /nfs/dbraw/zinc/68/28/41/789682841.db2.gz RTLZJXQLDWOFJS-QZTJIDSGSA-N 2 0 331.504 2.187 10 0 EEAERP C[C@H]1CN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC[C@H]1C[NH3+] ZINC000923501452 789686410 /nfs/dbraw/zinc/68/64/10/789686410.db2.gz ZMXKLOOHYGLBGD-QWRGUYRKSA-N 2 0 332.473 2.302 10 0 EEAERP C[C@@H]1CN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC[C@H]1C[NH3+] ZINC000923501450 789686534 /nfs/dbraw/zinc/68/65/34/789686534.db2.gz ZMXKLOOHYGLBGD-MNOVXSKESA-N 2 0 332.473 2.302 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000915135152 795669372 /nfs/dbraw/zinc/66/93/72/795669372.db2.gz FABHYAKREQBFPK-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1(F)F ZINC000787777595 807231538 /nfs/dbraw/zinc/23/15/38/807231538.db2.gz RXWHOBSGNSZXKU-UXOAXIEHSA-N 2 0 330.419 2.283 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001566105328 1125561488 /nfs/dbraw/zinc/56/14/88/1125561488.db2.gz BBYXQFZBSWOGGI-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CCC[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001566440066 1125601907 /nfs/dbraw/zinc/60/19/07/1125601907.db2.gz ZWFFFSUYVWVSRI-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001566456199 1125616958 /nfs/dbraw/zinc/61/69/58/1125616958.db2.gz CJWNILQVWDWYIQ-SZVBFZGTSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001566464934 1125624513 /nfs/dbraw/zinc/62/45/13/1125624513.db2.gz BPTQEVLMDSWCTD-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CCOCC1 ZINC001566549993 1125720176 /nfs/dbraw/zinc/72/01/76/1125720176.db2.gz ANXSRIBWGYMKRB-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cncc(C)c1 ZINC001566555458 1125728765 /nfs/dbraw/zinc/72/87/65/1125728765.db2.gz VWOIVVKCEFEFDB-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001436404094 1087751888 /nfs/dbraw/zinc/75/18/88/1087751888.db2.gz PYBWJHKSGFLPQI-BZUAXINKSA-N 2 0 343.462 2.392 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H]1CCCO1)[NH+](C)C ZINC001436500382 1088026253 /nfs/dbraw/zinc/02/62/53/1088026253.db2.gz PSXIOPUFSAQZQD-RCCFBDPRSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001436915341 1088575222 /nfs/dbraw/zinc/57/52/22/1088575222.db2.gz PIRZRCMJUHXEOW-KZNAEPCWSA-N 2 0 335.467 2.389 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1ccccc1Cl ZINC001437127351 1089111804 /nfs/dbraw/zinc/11/18/04/1089111804.db2.gz FRNZKQYKRARSFN-SQWLQELKSA-N 2 0 337.895 2.317 10 0 EEAERP CC[C@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437353201 1089568767 /nfs/dbraw/zinc/56/87/67/1089568767.db2.gz PCQWEEOEKGBTNL-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437353207 1089570106 /nfs/dbraw/zinc/57/01/06/1089570106.db2.gz PCQWEEOEKGBTNL-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001437382171 1089630615 /nfs/dbraw/zinc/63/06/15/1089630615.db2.gz KCJAJOLVRXRIQM-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC001437405454 1089682273 /nfs/dbraw/zinc/68/22/73/1089682273.db2.gz WMSJUNCOYWEACM-CHWSQXEVSA-N 2 0 327.419 2.462 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)O1 ZINC001437484243 1089840787 /nfs/dbraw/zinc/84/07/87/1089840787.db2.gz NTHWSULCMXASKU-DOTOQJQBSA-N 2 0 339.524 2.255 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCc2c1cc(F)cc2F ZINC001437565230 1090043296 /nfs/dbraw/zinc/04/32/96/1090043296.db2.gz ZZWPUVIJMWIHDL-KRWDZBQOSA-N 2 0 337.414 2.096 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1cccc2c1CCOC2 ZINC001437653161 1090178404 /nfs/dbraw/zinc/17/84/04/1090178404.db2.gz VAHHOTYOSSIEAD-UHFFFAOYSA-N 2 0 347.503 2.038 10 0 EEAERP Cc1noc(C)c1CN(CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001437812043 1090405390 /nfs/dbraw/zinc/40/53/90/1090405390.db2.gz JYKGMBMDEFXEPZ-OKILXGFUSA-N 2 0 348.491 2.245 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001437944392 1090539851 /nfs/dbraw/zinc/53/98/51/1090539851.db2.gz HMHCHXGTUOLFLL-HOTGVXAUSA-N 2 0 335.517 2.071 10 0 EEAERP CCN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001438273582 1090759018 /nfs/dbraw/zinc/75/90/18/1090759018.db2.gz YGISSTLAEJQPSY-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1cncc(C)c1 ZINC001438319534 1090794650 /nfs/dbraw/zinc/79/46/50/1090794650.db2.gz ROWLEHPNHUTXIM-SFHVURJKSA-N 2 0 344.503 2.250 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ncc(C)s1 ZINC001438349336 1090826419 /nfs/dbraw/zinc/82/64/19/1090826419.db2.gz TWWYZRPXYYTCIX-QEJZJMRPSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@@H](F)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001438446045 1090950320 /nfs/dbraw/zinc/95/03/20/1090950320.db2.gz HQXYSCZQQLGQPY-GOSISDBHSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445424200 1091179008 /nfs/dbraw/zinc/17/90/08/1091179008.db2.gz QBXKIAVLRGPELK-KFWWJZLASA-N 2 0 331.451 2.391 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001438707844 1091221498 /nfs/dbraw/zinc/22/14/98/1091221498.db2.gz HOWDAZOXWZFBKC-WMZOPIPTSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@H](c2ccccc2)N(C)C)co1 ZINC001438709822 1091224753 /nfs/dbraw/zinc/22/47/53/1091224753.db2.gz BXSSRRHPEBHXOL-KDOFPFPSSA-N 2 0 344.459 2.222 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001445500532 1091279258 /nfs/dbraw/zinc/27/92/58/1091279258.db2.gz MALBIBJNZZDTED-NVXWUHKLSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnc(Cl)s1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445568352 1091345600 /nfs/dbraw/zinc/34/56/00/1091345600.db2.gz DGNDBSTZYPDLOE-NWDGAFQWSA-N 2 0 344.912 2.265 10 0 EEAERP Cc1nc(C)c(CN(C)CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)o1 ZINC001438887181 1091530194 /nfs/dbraw/zinc/53/01/94/1091530194.db2.gz AALVOSNLLBNRCQ-IRXDYDNUSA-N 2 0 348.491 2.199 10 0 EEAERP Cc1nc(C)c(CN(C)CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001438887182 1091530485 /nfs/dbraw/zinc/53/04/85/1091530485.db2.gz AALVOSNLLBNRCQ-SJORKVTESA-N 2 0 348.491 2.199 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001438905532 1091567064 /nfs/dbraw/zinc/56/70/64/1091567064.db2.gz YXSULQAMCMXYBM-SFHVURJKSA-N 2 0 331.504 2.448 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCC(F)(F)F ZINC001445768940 1091625981 /nfs/dbraw/zinc/62/59/81/1091625981.db2.gz XCRGAQPAQPIVLM-UONOGXRCSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001445772455 1091634893 /nfs/dbraw/zinc/63/48/93/1091634893.db2.gz SIIWMYDTSOSLDN-IEBWSBKVSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001438963647 1091655991 /nfs/dbraw/zinc/65/59/91/1091655991.db2.gz NMGZNWZTHZUIOR-CRAIPNDOSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439139784 1091783023 /nfs/dbraw/zinc/78/30/23/1091783023.db2.gz MLJKIGGLZXZILT-BVGQSLNGSA-N 2 0 333.451 2.392 10 0 EEAERP C[C@H](C[N@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)C[NH+]1CCCC1 ZINC001445865768 1091787021 /nfs/dbraw/zinc/78/70/21/1091787021.db2.gz GSFPTXAXXLCRNO-RDTXWAMCSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001445893963 1091822153 /nfs/dbraw/zinc/82/21/53/1091822153.db2.gz IJFKTUOKEHOIKL-OALUTQOASA-N 2 0 346.519 2.415 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439270172 1091928412 /nfs/dbraw/zinc/92/84/12/1091928412.db2.gz ZTVOQJVPLZDFMR-GOEBONIOSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1C ZINC001439496825 1092329062 /nfs/dbraw/zinc/32/90/62/1092329062.db2.gz PRGAKOJQRAFZQS-MOPGFXCFSA-N 2 0 329.488 2.240 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC001439515882 1092361056 /nfs/dbraw/zinc/36/10/56/1092361056.db2.gz PMGULHKVWGJGLS-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001446254382 1092382675 /nfs/dbraw/zinc/38/26/75/1092382675.db2.gz YLRPAKFBMVGGMK-ROUUACIJSA-N 2 0 342.487 2.145 10 0 EEAERP O=C(NCC1([NH2+]CC[C@@H]2CCCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC001439630812 1092547035 /nfs/dbraw/zinc/54/70/35/1092547035.db2.gz ZTTCMEIVIFILQP-KRWDZBQOSA-N 2 0 349.519 2.060 10 0 EEAERP Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001448426422 1093437977 /nfs/dbraw/zinc/43/79/77/1093437977.db2.gz HYUHGWJVVPKTKK-LDLYASANSA-N 2 0 341.499 2.131 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001448464593 1093474917 /nfs/dbraw/zinc/47/49/17/1093474917.db2.gz AIMMNFLTVWQHQM-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCC4CC4)C[C@@H]3C2)CCC1 ZINC001448467123 1093479048 /nfs/dbraw/zinc/47/90/48/1093479048.db2.gz UOLYWLMNQHFLLK-FGTMMUONSA-N 2 0 333.520 2.488 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3o2)C1)[NH+](C)C ZINC001440353359 1093507183 /nfs/dbraw/zinc/50/71/83/1093507183.db2.gz GKSVCDBFWFULQG-DZKIICNBSA-N 2 0 344.459 2.152 10 0 EEAERP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001440386005 1093558274 /nfs/dbraw/zinc/55/82/74/1093558274.db2.gz TZMCEPSMQBSLGU-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001440791809 1094033414 /nfs/dbraw/zinc/03/34/14/1094033414.db2.gz RJXUVBSYEPLPLZ-ZIAGYGMSSA-N 2 0 336.480 2.230 10 0 EEAERP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001440924084 1094177895 /nfs/dbraw/zinc/17/78/95/1094177895.db2.gz JRLYLYHNUAPMKP-LPHOPBHVSA-N 2 0 329.488 2.273 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001449265294 1094213810 /nfs/dbraw/zinc/21/38/10/1094213810.db2.gz WYHOXXKVLSKRGM-IEBWSBKVSA-N 2 0 346.519 2.399 10 0 EEAERP CC(C)N(CCN(C)Cc1cc(C2CC2)no1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449282592 1094231796 /nfs/dbraw/zinc/23/17/96/1094231796.db2.gz YNWQKKULBSKMLW-MRXNPFEDSA-N 2 0 348.491 2.173 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440998560 1094269577 /nfs/dbraw/zinc/26/95/77/1094269577.db2.gz IUBGFZJLCHXRDH-DLBZAZTESA-N 2 0 346.519 2.031 10 0 EEAERP CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001441005707 1094280713 /nfs/dbraw/zinc/28/07/13/1094280713.db2.gz RFUNEEVBYMGJMQ-MRXNPFEDSA-N 2 0 329.488 2.281 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001449328863 1094280697 /nfs/dbraw/zinc/28/06/97/1094280697.db2.gz ZYTRLNKQHORYNN-UKRRQHHQSA-N 2 0 345.478 2.494 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001441133934 1094463965 /nfs/dbraw/zinc/46/39/65/1094463965.db2.gz HHARLILMYDPBBU-HUUCEWRRSA-N 2 0 325.472 2.047 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(OC)c2C)C1)[NH+](C)C ZINC001441356579 1094873567 /nfs/dbraw/zinc/87/35/67/1094873567.db2.gz YTZVWJMVXPAXTP-KBAYOESNSA-N 2 0 347.503 2.328 10 0 EEAERP CCOC1CC(C[N@H+](C)C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001441394198 1094958208 /nfs/dbraw/zinc/95/82/08/1094958208.db2.gz IKQJITGBTNBVRV-UHFFFAOYSA-N 2 0 339.524 2.065 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2cnc(C)cn2)CC1 ZINC001441394239 1094958785 /nfs/dbraw/zinc/95/87/85/1094958785.db2.gz OFHIICVRLKKHBY-INIZCTEOSA-N 2 0 347.507 2.111 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)n2)C1)[NH+](CC)CC ZINC001441503546 1095187620 /nfs/dbraw/zinc/18/76/20/1095187620.db2.gz FBKDGIKSUCISQN-IJEWVQPXSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001441534947 1095249150 /nfs/dbraw/zinc/24/91/50/1095249150.db2.gz IXXMWTUVMHOLSC-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001441578316 1095375118 /nfs/dbraw/zinc/37/51/18/1095375118.db2.gz GHBUFWBVSMOCTM-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441603931 1095454746 /nfs/dbraw/zinc/45/47/46/1095454746.db2.gz SAXKJYWQDJREGD-HZPDHXFCSA-N 2 0 342.487 2.446 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001441625121 1095502390 /nfs/dbraw/zinc/50/23/90/1095502390.db2.gz UOSVANVBGASKIP-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1)[NH+](C)C ZINC001441658517 1095624777 /nfs/dbraw/zinc/62/47/77/1095624777.db2.gz KYUUGKPAVFCKNN-PKOBYXMFSA-N 2 0 347.503 2.376 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C)on3)[C@@H]2C1 ZINC001441869458 1095981202 /nfs/dbraw/zinc/98/12/02/1095981202.db2.gz LAYQLWKBOVUMDY-JQHSSLGASA-N 2 0 348.491 2.042 10 0 EEAERP CCn1ccc(C[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CCCCC2)n1 ZINC001441924420 1096108670 /nfs/dbraw/zinc/10/86/70/1096108670.db2.gz NKOBHJKRJLITAX-MRXNPFEDSA-N 2 0 349.523 2.009 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1C ZINC001441930915 1096118969 /nfs/dbraw/zinc/11/89/69/1096118969.db2.gz OIRBNSMMGWMYLW-AEFFLSMTSA-N 2 0 347.503 2.330 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001442105817 1096330852 /nfs/dbraw/zinc/33/08/52/1096330852.db2.gz PZLOTOSLIMBPDI-IAGOWNOFSA-N 2 0 327.513 2.063 10 0 EEAERP COc1cccc(C[N@H+](C)CCN(C(=O)[C@H]2CCC[NH+]2C)C(C)C)c1 ZINC001442116299 1096348278 /nfs/dbraw/zinc/34/82/78/1096348278.db2.gz KPQSVBUIBGZOJS-LJQANCHMSA-N 2 0 347.503 2.458 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)CC[N@@H+]1C ZINC001442139598 1096385862 /nfs/dbraw/zinc/38/58/62/1096385862.db2.gz JGNNVJJOPOSXPZ-YUELXQCFSA-N 2 0 345.478 2.492 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cnc(C)s1)C(C)(C)C ZINC001442167389 1096427923 /nfs/dbraw/zinc/42/79/23/1096427923.db2.gz GVEMERWKAZBTSQ-HNNXBMFYSA-N 2 0 340.537 2.414 10 0 EEAERP CC[C@H](C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1)OC ZINC001442194791 1096470843 /nfs/dbraw/zinc/47/08/43/1096470843.db2.gz MXVNXVPEMUXUBL-CRAIPNDOSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001442228053 1096525297 /nfs/dbraw/zinc/52/52/97/1096525297.db2.gz VDMGSMFWFCMCKJ-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001442357292 1096679236 /nfs/dbraw/zinc/67/92/36/1096679236.db2.gz QTGXDZJSTZFMRO-RHSMWYFYSA-N 2 0 348.491 2.374 10 0 EEAERP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@H]1CCCCO1 ZINC001442695918 1097065937 /nfs/dbraw/zinc/06/59/37/1097065937.db2.gz SYIUZUIWOQWNFT-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(C(C)C)n1 ZINC001442734975 1097108998 /nfs/dbraw/zinc/10/89/98/1097108998.db2.gz ZPJKGBCONRUSLZ-UHFFFAOYSA-N 2 0 346.519 2.485 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001442883884 1097279162 /nfs/dbraw/zinc/27/91/62/1097279162.db2.gz DFEUFDGPKQTTIF-QUCCMNQESA-N 2 0 343.515 2.399 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C[C@@H]1CCCCO1 ZINC001442954304 1097371639 /nfs/dbraw/zinc/37/16/39/1097371639.db2.gz IWENQZQJUOTUIM-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001443234313 1097697359 /nfs/dbraw/zinc/69/73/59/1097697359.db2.gz BUCMMOOMEMJNBV-IAGOWNOFSA-N 2 0 347.507 2.016 10 0 EEAERP COCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001479502515 1098570429 /nfs/dbraw/zinc/57/04/29/1098570429.db2.gz JUUMFELWFMRMGL-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001444119805 1098653315 /nfs/dbraw/zinc/65/33/15/1098653315.db2.gz AURHOAFBCKSQFC-QFBILLFUSA-N 2 0 348.491 2.232 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001479673266 1098723772 /nfs/dbraw/zinc/72/37/72/1098723772.db2.gz JINBHHTZSVBLHS-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479744129 1098873380 /nfs/dbraw/zinc/87/33/80/1098873380.db2.gz AFAMFVRXVHXNGP-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001444377354 1098955858 /nfs/dbraw/zinc/95/58/58/1098955858.db2.gz FVOWOQWEJYJKCZ-CABCVRRESA-N 2 0 345.478 2.496 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCOC1CCC1 ZINC001479778117 1098958535 /nfs/dbraw/zinc/95/85/35/1098958535.db2.gz MKEQKOXIJBZXMR-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cccc(C)c1OCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479789465 1098990742 /nfs/dbraw/zinc/99/07/42/1098990742.db2.gz PNFPTNGOAHBLGT-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001444423198 1099044767 /nfs/dbraw/zinc/04/47/67/1099044767.db2.gz OBZKRTQSVDZQNU-PXNSSMCTSA-N 2 0 329.488 2.323 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[N@H+](CC2CCCCCC2)CCO1)[NH+](C)C ZINC001444443416 1099080301 /nfs/dbraw/zinc/08/03/01/1099080301.db2.gz KOLCJZYZQOZNBT-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001444453791 1099103496 /nfs/dbraw/zinc/10/34/96/1099103496.db2.gz XILOMNCWOIPGTP-AWEZNQCLSA-N 2 0 338.521 2.169 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCCC[N@H+](Cc1cccnc1C)C1CC1 ZINC001479879960 1099246689 /nfs/dbraw/zinc/24/66/89/1099246689.db2.gz PIBWXUPCQNLLPF-UHFFFAOYSA-N 2 0 341.459 2.135 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC001479947692 1099374985 /nfs/dbraw/zinc/37/49/85/1099374985.db2.gz AIAXQGKJCBGNAW-OALUTQOASA-N 2 0 329.488 2.294 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001480084178 1099636279 /nfs/dbraw/zinc/63/62/79/1099636279.db2.gz JIVTZGBBOAQRQX-GOSISDBHSA-N 2 0 346.519 2.321 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001444776617 1099679714 /nfs/dbraw/zinc/67/97/14/1099679714.db2.gz AWQRSBBMRZBCOU-YJBOKZPZSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189651 1099787341 /nfs/dbraw/zinc/78/73/41/1099787341.db2.gz QHOLIPOBQYXYLZ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H]1CC(C)(C)CO1 ZINC001480330620 1100084849 /nfs/dbraw/zinc/08/48/49/1100084849.db2.gz HYTLYLXCZVEDEA-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001480349544 1100118308 /nfs/dbraw/zinc/11/83/08/1100118308.db2.gz HFERLKMUXZRXSM-MJYKILKPSA-N 2 0 333.879 2.390 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496208834 1100752057 /nfs/dbraw/zinc/75/20/57/1100752057.db2.gz ZBQIGNPZCMECMW-AWEZNQCLSA-N 2 0 335.879 2.372 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)c1 ZINC001446540766 1101001595 /nfs/dbraw/zinc/00/15/95/1101001595.db2.gz ITOKIPQYGNHMBN-HXUWFJFHSA-N 2 0 346.519 2.175 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@@](C)(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001446547845 1101015330 /nfs/dbraw/zinc/01/53/30/1101015330.db2.gz IZGNIHIKEHCRHL-UYAOXDASSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496432809 1101024404 /nfs/dbraw/zinc/02/44/04/1101024404.db2.gz ZOPOEIWTTOKPHS-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@]1(C[NH2+]C/C(Cl)=C\Cl)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001446598492 1101092817 /nfs/dbraw/zinc/09/28/17/1101092817.db2.gz BRLCQYRQKIXGEW-XETPBLJFSA-N 2 0 334.291 2.229 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccsc3)C2)C1 ZINC001446604283 1101101187 /nfs/dbraw/zinc/10/11/87/1101101187.db2.gz KGDCWWKOGCHVHM-CRAIPNDOSA-N 2 0 335.517 2.418 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001495394198 1101114504 /nfs/dbraw/zinc/11/45/04/1101114504.db2.gz WPFZQCSPLSVILV-MRXNPFEDSA-N 2 0 348.466 2.035 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001495432438 1101150221 /nfs/dbraw/zinc/15/02/21/1101150221.db2.gz IXGGRVNVJFTJTA-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446944626 1101634930 /nfs/dbraw/zinc/63/49/30/1101634930.db2.gz TXZIWOXHJDMCMB-FUHWJXTLSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496028724 1101952014 /nfs/dbraw/zinc/95/20/14/1101952014.db2.gz SXKMWNRNCBDKEL-QAPCUYQASA-N 2 0 335.467 2.289 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103927 1102069677 /nfs/dbraw/zinc/06/96/77/1102069677.db2.gz PGSDNUXIKCCRIV-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP CCc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001497214951 1102138272 /nfs/dbraw/zinc/13/82/72/1102138272.db2.gz KOQGKEQXAJFFLY-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149933 1102140308 /nfs/dbraw/zinc/14/03/08/1102140308.db2.gz OZEKFBAYQPBHIX-KGLIPLIRSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001496153337 1102144869 /nfs/dbraw/zinc/14/48/69/1102144869.db2.gz HIJNIVZFWMLBKQ-KSSFIOAISA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)N(C)C(=O)Cc1ncc[nH]1 ZINC001496194341 1102200060 /nfs/dbraw/zinc/20/00/60/1102200060.db2.gz UAROAVSGCSGMNE-BZNIZROVSA-N 2 0 348.397 2.354 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001497325178 1102327261 /nfs/dbraw/zinc/32/72/61/1102327261.db2.gz YJUJJCVUSZCADM-GJZGRUSLSA-N 2 0 331.451 2.392 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001497334188 1102343005 /nfs/dbraw/zinc/34/30/05/1102343005.db2.gz WXPODBKOJVIQDV-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1)[NH+](C)C ZINC001447297226 1102391628 /nfs/dbraw/zinc/39/16/28/1102391628.db2.gz AJVUHCHURYOSPI-HUUCEWRRSA-N 2 0 331.451 2.343 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(F)cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC001497580490 1102695533 /nfs/dbraw/zinc/69/55/33/1102695533.db2.gz WEHVAFNPUFIQLR-IMLGJKEDSA-N 2 0 349.425 2.069 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(COC)cc2)[C@@H](C)C1 ZINC001447545956 1102835145 /nfs/dbraw/zinc/83/51/45/1102835145.db2.gz XBOKWYJFRQGPJK-LPHOPBHVSA-N 2 0 347.503 2.111 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C ZINC001447591498 1102933449 /nfs/dbraw/zinc/93/34/49/1102933449.db2.gz VVQLJPFSWIJQIR-GJZGRUSLSA-N 2 0 333.467 2.243 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001447607290 1102963636 /nfs/dbraw/zinc/96/36/36/1102963636.db2.gz YIDMIPMMEQNCGX-MRXNPFEDSA-N 2 0 336.480 2.040 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001497749150 1103016410 /nfs/dbraw/zinc/01/64/10/1103016410.db2.gz DMYAUFDPPXXURX-OAJJDEHYSA-N 2 0 341.499 2.149 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cnc(C)s1 ZINC001497762253 1103052445 /nfs/dbraw/zinc/05/24/45/1103052445.db2.gz GGAISJNWSYVUPX-OGZRUICASA-N 2 0 336.505 2.088 10 0 EEAERP C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497827073 1103158150 /nfs/dbraw/zinc/15/81/50/1103158150.db2.gz FSQOQMQYXYYQOC-RDTXWAMCSA-N 2 0 348.466 2.222 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497943227 1103383725 /nfs/dbraw/zinc/38/37/25/1103383725.db2.gz PLMIBNHGESFXAM-QAPCUYQASA-N 2 0 347.503 2.271 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH+](CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001494042924 1103414894 /nfs/dbraw/zinc/41/48/94/1103414894.db2.gz NLTCUKAJUUJBTB-KKUMJFAQSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001447845571 1103433900 /nfs/dbraw/zinc/43/39/00/1103433900.db2.gz KFWIQXGHSUVOBL-HZPDHXFCSA-N 2 0 332.492 2.329 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)n1 ZINC001447896780 1103544735 /nfs/dbraw/zinc/54/47/35/1103544735.db2.gz ILHSYGOJFCXLSU-HUUCEWRRSA-N 2 0 332.492 2.023 10 0 EEAERP CC[C@@H](F)C[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001447942047 1103653425 /nfs/dbraw/zinc/65/34/25/1103653425.db2.gz NEYBYHVLHGHQQV-QQFBHYJXSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@H+](CCF)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001494204886 1103694009 /nfs/dbraw/zinc/69/40/09/1103694009.db2.gz HWSPXUYARZYBRI-IRXDYDNUSA-N 2 0 325.472 2.143 10 0 EEAERP CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C ZINC001495088006 1104727745 /nfs/dbraw/zinc/72/77/45/1104727745.db2.gz WBUXEODADFEDKT-SFHVURJKSA-N 2 0 347.503 2.090 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001495094334 1104732625 /nfs/dbraw/zinc/73/26/25/1104732625.db2.gz OLEKTHGWJSMSES-QFBILLFUSA-N 2 0 345.487 2.043 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC001480597919 1106738090 /nfs/dbraw/zinc/73/80/90/1106738090.db2.gz WHOZDQCWQYONFM-IEBWSBKVSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498062224 1106867788 /nfs/dbraw/zinc/86/77/88/1106867788.db2.gz CRCYAUOOAVSVDV-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498100573 1106920946 /nfs/dbraw/zinc/92/09/46/1106920946.db2.gz UVRLLZLOLOLRGD-JYJNAYRXSA-N 2 0 335.467 2.459 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H]2CCCCO2)C1 ZINC001480738560 1107018561 /nfs/dbraw/zinc/01/85/61/1107018561.db2.gz GUPIKUYCPXEBLF-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001480772771 1107086969 /nfs/dbraw/zinc/08/69/69/1107086969.db2.gz OSYCWMZSSFXLOC-VQIMIIECSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001480808573 1107155528 /nfs/dbraw/zinc/15/55/28/1107155528.db2.gz MSWZWQSMLOORBC-KDOFPFPSSA-N 2 0 333.451 2.393 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001480814156 1107165755 /nfs/dbraw/zinc/16/57/55/1107165755.db2.gz ULXIIGATEQJIMX-ZDUSSCGKSA-N 2 0 326.872 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccon1 ZINC001480822980 1107193838 /nfs/dbraw/zinc/19/38/38/1107193838.db2.gz DRGPRYIMSKLIMJ-QZTJIDSGSA-N 2 0 348.491 2.410 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498374200 1107413367 /nfs/dbraw/zinc/41/33/67/1107413367.db2.gz CUEGGRVJAAINSE-QWHCGFSZSA-N 2 0 327.419 2.414 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1OC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001498458654 1107570755 /nfs/dbraw/zinc/57/07/55/1107570755.db2.gz SETKKWNCDQGYBB-MRXNPFEDSA-N 2 0 345.487 2.260 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001498490529 1107626719 /nfs/dbraw/zinc/62/67/19/1107626719.db2.gz YTNOFUCYEDRDSZ-NVXWUHKLSA-N 2 0 348.491 2.232 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC001493234701 1107736829 /nfs/dbraw/zinc/73/68/29/1107736829.db2.gz SEAYXWNCMHVOQJ-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP CN(CCC[NH2+]CCCCC(F)(F)F)C(=O)C1CC[NH+](C)CC1 ZINC001498606847 1107797744 /nfs/dbraw/zinc/79/77/44/1107797744.db2.gz NZVVOCLYRADTBG-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC001498816649 1108158242 /nfs/dbraw/zinc/15/82/42/1108158242.db2.gz IDCLJKGNZKZBLT-UZLBHIALSA-N 2 0 343.515 2.228 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001493589871 1108365811 /nfs/dbraw/zinc/36/58/11/1108365811.db2.gz HWQPWZMIDJEGDS-ROUUACIJSA-N 2 0 333.451 2.391 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001493805927 1108686327 /nfs/dbraw/zinc/68/63/27/1108686327.db2.gz BGSSJZHYILPHQM-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC001465583996 1110420224 /nfs/dbraw/zinc/42/02/24/1110420224.db2.gz XQYPPEFLZTUTBH-HZPDHXFCSA-N 2 0 341.858 2.493 10 0 EEAERP CSC1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC001468637687 1110477928 /nfs/dbraw/zinc/47/79/28/1110477928.db2.gz LGDJCWCCRZNBIG-LSDHHAIUSA-N 2 0 327.538 2.050 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001479322641 1110681300 /nfs/dbraw/zinc/68/13/00/1110681300.db2.gz XWCFGZNITBOLIG-ZXFNITATSA-N 2 0 345.478 2.431 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001499310648 1112228379 /nfs/dbraw/zinc/22/83/79/1112228379.db2.gz OZRRCMOFABHZMN-QGZVFWFLSA-N 2 0 345.487 2.097 10 0 EEAERP CO[C@@H](C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1)C1CCC1 ZINC001500012239 1112578860 /nfs/dbraw/zinc/57/88/60/1112578860.db2.gz AZDREZNRHFGJNS-KRWDZBQOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001500457225 1112846955 /nfs/dbraw/zinc/84/69/55/1112846955.db2.gz FKNRZZQYRYXEHI-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP CC1CC(C[N@@H+]2CCC(F)(F)[C@@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001500617123 1112979556 /nfs/dbraw/zinc/97/95/56/1112979556.db2.gz QGDOOXLPRPERQR-GPANFISMSA-N 2 0 343.462 2.202 10 0 EEAERP C[NH+]1CCC(C(=O)N(CC[NH2+]CC2CC2)Cc2ccccc2)CC1 ZINC001501197352 1113237831 /nfs/dbraw/zinc/23/78/31/1113237831.db2.gz IZASFMZVIZWPAN-UHFFFAOYSA-N 2 0 329.488 2.357 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001501240665 1113258374 /nfs/dbraw/zinc/25/83/74/1113258374.db2.gz QNIASHJURNYHKH-NSHGMRRFSA-N 2 0 341.499 2.406 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001501544537 1113376956 /nfs/dbraw/zinc/37/69/56/1113376956.db2.gz NBQLIIXHKLFTKD-QAPCUYQASA-N 2 0 333.451 2.248 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)ccc1C ZINC001502987937 1113867728 /nfs/dbraw/zinc/86/77/28/1113867728.db2.gz NFKCWGNPCSFVQY-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP O=C(NC1CC(C[NH2+]CCc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001505497087 1114024662 /nfs/dbraw/zinc/02/46/62/1114024662.db2.gz AALMBNBVVYBTLO-LYBXBRPPSA-N 2 0 341.499 2.055 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505710364 1114144995 /nfs/dbraw/zinc/14/49/95/1114144995.db2.gz POIVTQJZAYIRBJ-KGLIPLIRSA-N 2 0 344.459 2.341 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccnc1C ZINC001505931083 1114285558 /nfs/dbraw/zinc/28/55/58/1114285558.db2.gz UAYLFTMFUGZQBX-MAUKXSAKSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccccn2)C1 ZINC001505986016 1114321325 /nfs/dbraw/zinc/32/13/25/1114321325.db2.gz NMTLQHXKWOVAOL-SJORKVTESA-N 2 0 332.492 2.140 10 0 EEAERP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001506801739 1114886869 /nfs/dbraw/zinc/88/68/69/1114886869.db2.gz FTVKKSVCGXLHFN-DSLXNQLJSA-N 2 0 329.488 2.302 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC001506970183 1115020380 /nfs/dbraw/zinc/02/03/80/1115020380.db2.gz KYFWYCKQEAQPIV-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001507095204 1115105248 /nfs/dbraw/zinc/10/52/48/1115105248.db2.gz KFQACAJQGIOTRT-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001507105103 1115110720 /nfs/dbraw/zinc/11/07/20/1115110720.db2.gz GFUZSMQLLHDOIK-INIZCTEOSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001507106205 1115111717 /nfs/dbraw/zinc/11/17/17/1115111717.db2.gz KGCHACRGEBTFKY-INIZCTEOSA-N 2 0 349.523 2.275 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001507369640 1115228793 /nfs/dbraw/zinc/22/87/93/1115228793.db2.gz VDEURECXTMPJLP-UTOJKVIPSA-N 2 0 327.900 2.296 10 0 EEAERP CC(C)[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC001507390258 1115246897 /nfs/dbraw/zinc/24/68/97/1115246897.db2.gz UBMNQEGXOGHGER-LJQANCHMSA-N 2 0 331.504 2.444 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001507401870 1115252140 /nfs/dbraw/zinc/25/21/40/1115252140.db2.gz PZLPKLFEPCOVEJ-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)CC[N@@H+]1C ZINC001507434409 1115267111 /nfs/dbraw/zinc/26/71/11/1115267111.db2.gz VSGBAPBSNXGYLG-BFHYXJOUSA-N 2 0 349.441 2.496 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1C[C@H]([NH2+]CCOC)C(C)(C)C1)c1ccccc1 ZINC001507449656 1115275786 /nfs/dbraw/zinc/27/57/86/1115275786.db2.gz IQZQUVZFSHNONE-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ocnc2C)C(C)(C)C1 ZINC001507451509 1115277435 /nfs/dbraw/zinc/27/74/35/1115277435.db2.gz SQFOQAOVBXFIIF-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001508023867 1115391242 /nfs/dbraw/zinc/39/12/42/1115391242.db2.gz DXUFHKHSVKNZOP-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](C[C@@H]3CC(C)(C)CO3)CC2)CCC1 ZINC001508206836 1115445157 /nfs/dbraw/zinc/44/51/57/1115445157.db2.gz QHVTYHNHYCTINM-KRWDZBQOSA-N 2 0 349.519 2.034 10 0 EEAERP CC(C)(C(=O)N1CCC[C@H](CC[NH2+]Cc2ccon2)C1)[NH+]1CCCC1 ZINC001568064491 1124269152 /nfs/dbraw/zinc/26/91/52/1124269152.db2.gz KAHXMJBCFSZRLX-MRXNPFEDSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCc1ccccc1Cl ZINC001568209648 1124355650 /nfs/dbraw/zinc/35/56/50/1124355650.db2.gz NQEXGEZAZKRVCS-HNNXBMFYSA-N 2 0 337.895 2.320 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCCF)C2CCCCC2)CCC1 ZINC001568343712 1124428621 /nfs/dbraw/zinc/42/86/21/1124428621.db2.gz OKLCKGZTTBBZSO-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001568397527 1124467982 /nfs/dbraw/zinc/46/79/82/1124467982.db2.gz CFPKZKFKTHVEAW-DOTOQJQBSA-N 2 0 336.480 2.184 10 0 EEAERP CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001568424940 1124492020 /nfs/dbraw/zinc/49/20/20/1124492020.db2.gz WTHZSURAROIGHD-SJLPKXTDSA-N 2 0 349.523 2.075 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001568546937 1124605352 /nfs/dbraw/zinc/60/53/52/1124605352.db2.gz ZUVCLXWKKDRWHY-ZIDUMWFYSA-N 2 0 327.900 2.489 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568692266 1124706121 /nfs/dbraw/zinc/70/61/21/1124706121.db2.gz GHNOFLUUCQPWDX-CQSZACIVSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568851629 1124872325 /nfs/dbraw/zinc/87/23/25/1124872325.db2.gz IBOGTOUHWNFIFO-LSTKMXGYSA-N 2 0 327.472 2.099 10 0 EEAERP C[C@@H](C[NH2+]CCCCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569058371 1125070730 /nfs/dbraw/zinc/07/07/30/1125070730.db2.gz BMKMQAFGDQRPGU-YQVWRLOYSA-N 2 0 331.504 2.444 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001569188049 1125153237 /nfs/dbraw/zinc/15/32/37/1125153237.db2.gz BKGFEFMDGPCENA-CYBMUJFWSA-N 2 0 329.897 2.434 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C2([NH+](C)C)CCC2)s1 ZINC001569210173 1125166784 /nfs/dbraw/zinc/16/67/84/1125166784.db2.gz QJEGZDINOFDCOH-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cnccn1)[NH+]1CCCCCC1 ZINC001569246751 1125192791 /nfs/dbraw/zinc/19/27/91/1125192791.db2.gz OITYYCWWNQOVRU-DLBZAZTESA-N 2 0 347.507 2.240 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001569270248 1125209118 /nfs/dbraw/zinc/20/91/18/1125209118.db2.gz OGJYKZDDBOKUSV-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001569320181 1125227984 /nfs/dbraw/zinc/22/79/84/1125227984.db2.gz NEBKOOYVIJVYEE-RKHPVMGFSA-N 2 0 345.890 2.436 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001569339952 1125240217 /nfs/dbraw/zinc/24/02/17/1125240217.db2.gz HEPCTIJMFDFBIX-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP C[C@H]([NH2+]CCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037759732 202033797 /nfs/dbraw/zinc/03/37/97/202033797.db2.gz GCXQMWMQPQQGEG-ZDUSSCGKSA-N 2 0 326.282 2.347 10 0 EEAERP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000186999869 236091541 /nfs/dbraw/zinc/09/15/41/236091541.db2.gz IIVXKPDSUKAVEJ-SFHVURJKSA-N 2 0 346.519 2.285 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000422886814 240273710 /nfs/dbraw/zinc/27/37/10/240273710.db2.gz JRRNOYRSJPIACX-LNLFQRSKSA-N 3 0 333.520 2.487 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)CC[NH2+]CC1 ZINC000422988039 240318106 /nfs/dbraw/zinc/31/81/06/240318106.db2.gz HXJLWWPQGYGXHS-HNNXBMFYSA-N 2 0 348.491 2.409 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000073722129 203271432 /nfs/dbraw/zinc/27/14/32/203271432.db2.gz OKXIGNLZDBOCAO-KRWDZBQOSA-N 2 0 326.529 2.384 10 0 EEAERP CC[N@H+](Cc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1)C(C)C ZINC000116789111 285097610 /nfs/dbraw/zinc/09/76/10/285097610.db2.gz GFOIDOJTBRCQKQ-LJQANCHMSA-N 2 0 347.503 2.320 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CC1CC[NH+](C)CC1 ZINC000273249553 256280680 /nfs/dbraw/zinc/28/06/80/256280680.db2.gz RLDBFCQVCAAEQI-UHFFFAOYSA-N 2 0 335.467 2.448 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173892154 152206264 /nfs/dbraw/zinc/20/62/64/152206264.db2.gz CCQNFDPVINEHEC-ROUUACIJSA-N 2 0 334.508 2.297 10 0 EEAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C2)[nH+]1 ZINC000249890612 160387376 /nfs/dbraw/zinc/38/73/76/160387376.db2.gz QLPCLEYNLUZXPB-WBVHZDCISA-N 2 0 330.476 2.382 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105128494 159296504 /nfs/dbraw/zinc/29/65/04/159296504.db2.gz XKIVLDYRIVILNS-KZNAEPCWSA-N 2 0 336.524 2.234 10 0 EEAERP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1OC ZINC000166182594 159749381 /nfs/dbraw/zinc/74/93/81/159749381.db2.gz YQRIOYVFPQCBBF-HUUCEWRRSA-N 2 0 349.475 2.482 10 0 EEAERP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193649596 160184658 /nfs/dbraw/zinc/18/46/58/160184658.db2.gz YGQJDJATZAVJLQ-ZACQAIPSSA-N 2 0 342.487 2.107 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1-n1cncn1 ZINC000246204542 160267322 /nfs/dbraw/zinc/26/73/22/160267322.db2.gz MBMHPYXKEQOFOC-HKUYNNGSSA-N 2 0 325.460 2.492 10 0 EEAERP COc1ccccc1CN(C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247972740 160334600 /nfs/dbraw/zinc/33/46/00/160334600.db2.gz HMPVDTPQEYYWRQ-FUHWJXTLSA-N 2 0 345.487 2.070 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247990834 160336344 /nfs/dbraw/zinc/33/63/44/160336344.db2.gz JBYZLCRQTFMBMA-WDSOQIARSA-N 2 0 344.503 2.415 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C[S@@](C)=O)CC1 ZINC000344296839 161215269 /nfs/dbraw/zinc/21/52/69/161215269.db2.gz NNZPEDSCUSXEHK-QMHKHESXSA-N 2 0 337.533 2.075 10 0 EEAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000352880430 162327411 /nfs/dbraw/zinc/32/74/11/162327411.db2.gz AGIZTTDDMDNDPF-HXUWFJFHSA-N 2 0 337.552 2.418 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000355556483 163228462 /nfs/dbraw/zinc/22/84/62/163228462.db2.gz OAKMXASVWPQVSR-GOSISDBHSA-N 2 0 326.444 2.115 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000375898705 275053904 /nfs/dbraw/zinc/05/39/04/275053904.db2.gz WKJGIAHYUUPMPS-SJLPKXTDSA-N 2 0 326.444 2.144 10 0 EEAERP C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]c3ccc(Cl)cc32)CC1 ZINC000253495187 277112252 /nfs/dbraw/zinc/11/22/52/277112252.db2.gz GGSXFJZOMPTIIY-UHFFFAOYSA-N 2 0 346.862 2.477 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000192804677 277610853 /nfs/dbraw/zinc/61/08/53/277610853.db2.gz RHSGCFIXVNZZEI-OALUTQOASA-N 2 0 333.524 2.373 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000372203674 279200877 /nfs/dbraw/zinc/20/08/77/279200877.db2.gz JAWSMBTUDPFEOP-MSOLQXFVSA-N 2 0 348.466 2.354 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000281811803 292790487 /nfs/dbraw/zinc/79/04/87/292790487.db2.gz YZQXHCVYCPPWEF-KDOFPFPSSA-N 2 0 335.467 2.437 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1c(C)nn(C)c1C ZINC000411521468 312545787 /nfs/dbraw/zinc/54/57/87/312545787.db2.gz YRIKDBKGASAOLL-KRWDZBQOSA-N 2 0 349.523 2.067 10 0 EEAERP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000414682141 313062974 /nfs/dbraw/zinc/06/29/74/313062974.db2.gz XVKQIBCVSWUAAN-AEFFLSMTSA-N 2 0 347.503 2.145 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414830913 313099109 /nfs/dbraw/zinc/09/91/09/313099109.db2.gz MMCWDZADZOVWCZ-SFHVURJKSA-N 3 0 330.520 2.308 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000414939058 313112894 /nfs/dbraw/zinc/11/28/94/313112894.db2.gz JCGUVJDOHOQTKA-KCQAQPDRSA-N 2 0 335.448 2.009 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416974053 313378780 /nfs/dbraw/zinc/37/87/80/313378780.db2.gz WCPIAIOHMCGDGW-PMPSAXMXSA-N 2 0 332.492 2.453 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000417176298 313441411 /nfs/dbraw/zinc/44/14/11/313441411.db2.gz NQQVKVASENTCFM-SOLBZPMBSA-N 2 0 348.466 2.069 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000417412524 313507387 /nfs/dbraw/zinc/50/73/87/313507387.db2.gz ABQIZTVJFVDOPE-BPUTZDHNSA-N 2 0 334.464 2.022 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418586495 313853897 /nfs/dbraw/zinc/85/38/97/313853897.db2.gz FQWCCDRCIOVFES-FGTMMUONSA-N 2 0 336.524 2.282 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(C)c3)cn2)CC1 ZINC000527638915 317234913 /nfs/dbraw/zinc/23/49/13/317234913.db2.gz OUQQULMLEZBTGF-UHFFFAOYSA-N 2 0 325.460 2.217 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563559405 319023427 /nfs/dbraw/zinc/02/34/27/319023427.db2.gz CXEDVXRGPCXYGQ-LJQANCHMSA-N 2 0 330.476 2.033 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000564667742 319100032 /nfs/dbraw/zinc/10/00/32/319100032.db2.gz WTQIANKHNUJJOY-QFBILLFUSA-N 2 0 329.488 2.281 10 0 EEAERP CCN(CCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000566304135 319272663 /nfs/dbraw/zinc/27/26/63/319272663.db2.gz QSFUBINFQBTLKF-UYAOXDASSA-N 2 0 330.520 2.049 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000566450791 319289147 /nfs/dbraw/zinc/28/91/47/319289147.db2.gz JQXKYQZBGUPJMX-YLJYHZDGSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000572974608 319894541 /nfs/dbraw/zinc/89/45/41/319894541.db2.gz BULSBYCTLBZQRB-LPHOPBHVSA-N 2 0 344.503 2.257 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+]CCC(=O)Nc2cccnc2)ccc1F ZINC000574982592 320076568 /nfs/dbraw/zinc/07/65/68/320076568.db2.gz DFSQVUNMINCVON-UHFFFAOYSA-N 2 0 330.407 2.401 10 0 EEAERP C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000575178539 320093641 /nfs/dbraw/zinc/09/36/41/320093641.db2.gz HBTUMDGBMQUTMC-PBHICJAKSA-N 2 0 332.492 2.230 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CC[C@H](C)C1 ZINC000576648282 320191874 /nfs/dbraw/zinc/19/18/74/320191874.db2.gz YWPQCYLPYBYTAN-PKOBYXMFSA-N 2 0 344.503 2.236 10 0 EEAERP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582064926 324371494 /nfs/dbraw/zinc/37/14/94/324371494.db2.gz VACFGDDARPVHIF-RBUKOAKNSA-N 2 0 327.472 2.346 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1cccc(F)c1 ZINC000568149164 468279164 /nfs/dbraw/zinc/27/91/64/468279164.db2.gz CCTNEGHBRLZHJW-GOSISDBHSA-N 2 0 329.419 2.360 10 0 EEAERP Cc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c(OCC[NH+](C)C)c1 ZINC000154641821 462792548 /nfs/dbraw/zinc/79/25/48/462792548.db2.gz JVAMFIYJGCMLCL-HNNXBMFYSA-N 2 0 334.464 2.103 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091333267 462873646 /nfs/dbraw/zinc/87/36/46/462873646.db2.gz YZRZDAOFQRVOAQ-GJZGRUSLSA-N 2 0 339.505 2.105 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1[NH2+]CCc2ccccc21 ZINC000579211382 468325308 /nfs/dbraw/zinc/32/53/08/468325308.db2.gz HJKAHNSASVHVBU-SFHVURJKSA-N 2 0 325.387 2.297 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000052519286 463084042 /nfs/dbraw/zinc/08/40/42/463084042.db2.gz COEJRPJWNIBOCY-GOSISDBHSA-N 2 0 332.492 2.422 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCCCCC2)C1 ZINC000053906728 463195513 /nfs/dbraw/zinc/19/55/13/463195513.db2.gz PEOWQVDAKZGGDD-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000097358952 463355655 /nfs/dbraw/zinc/35/56/55/463355655.db2.gz YKDQFIHPLOGBFC-SJLPKXTDSA-N 2 0 332.492 2.463 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000124661672 463449923 /nfs/dbraw/zinc/44/99/23/463449923.db2.gz ZGBALOQRZBXRBU-RTBURBONSA-N 3 0 336.568 2.257 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072036210 463481003 /nfs/dbraw/zinc/48/10/03/463481003.db2.gz LGUCDBSJTLZCFF-IBGZPJMESA-N 2 0 344.503 2.292 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085363062 463646864 /nfs/dbraw/zinc/64/68/64/463646864.db2.gz HWFFCOBZLBFJOI-OAHLLOKOSA-N 2 0 326.529 2.384 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170827038 463715060 /nfs/dbraw/zinc/71/50/60/463715060.db2.gz LUPPVNUNOUPYFH-SFHVURJKSA-N 2 0 332.492 2.374 10 0 EEAERP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261922825 463901752 /nfs/dbraw/zinc/90/17/52/463901752.db2.gz KQCPTGHWVQFCKZ-JKSUJKDBSA-N 2 0 334.533 2.429 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000195127744 463997356 /nfs/dbraw/zinc/99/73/56/463997356.db2.gz FSPJGYUWVZZLRH-RBUKOAKNSA-N 2 0 346.519 2.333 10 0 EEAERP C[C@@H]1CCCC[C@@H]1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314075 463998822 /nfs/dbraw/zinc/99/88/22/463998822.db2.gz ZJYUAXCPMWWXCA-YSHGAJCASA-N 2 0 329.488 2.356 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245674752 464504782 /nfs/dbraw/zinc/50/47/82/464504782.db2.gz SWQGUKJHJYRKEB-ROUUACIJSA-N 2 0 332.492 2.463 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246915543 464632657 /nfs/dbraw/zinc/63/26/57/464632657.db2.gz GGMNHUSVTUBNBH-KSZLIROESA-N 2 0 332.492 2.461 10 0 EEAERP CC(C)[N@H+]1C[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H](C)C1 ZINC000176690945 464826443 /nfs/dbraw/zinc/82/64/43/464826443.db2.gz UGEQUVRZAMRKHB-WMZOPIPTSA-N 2 0 336.524 2.375 10 0 EEAERP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000366347619 465670006 /nfs/dbraw/zinc/67/00/06/465670006.db2.gz UDTGSWGKRGFLNQ-NXYGQSRBSA-N 2 0 334.508 2.319 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371341418 465731574 /nfs/dbraw/zinc/73/15/74/465731574.db2.gz OAZPUIKRHRNJJV-PWIZWCRZSA-N 2 0 349.494 2.125 10 0 EEAERP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(OC)c1 ZINC000361175216 465814803 /nfs/dbraw/zinc/81/48/03/465814803.db2.gz MPNQHWCMLQBPEZ-SJLPKXTDSA-N 2 0 333.476 2.323 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)C2 ZINC000362718253 465969402 /nfs/dbraw/zinc/96/94/02/465969402.db2.gz VOMARFNFFMXPPC-XWDNEUNKSA-N 2 0 334.508 2.127 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000346193199 465978475 /nfs/dbraw/zinc/97/84/75/465978475.db2.gz FGSGCZZHFQVAAJ-SJORKVTESA-N 2 0 330.457 2.282 10 0 EEAERP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000353637359 466028146 /nfs/dbraw/zinc/02/81/46/466028146.db2.gz KXZYLTVRDNNCQP-FMKPAKJESA-N 2 0 338.521 2.380 10 0 EEAERP COC[C@@]1(C(=O)OC)CCCN1Cc1cc(-n2ccnc2)cs1 ZINC000597219384 468482838 /nfs/dbraw/zinc/48/28/38/468482838.db2.gz BVBKUHYWZSPPRT-MRXNPFEDSA-N 2 0 335.429 2.088 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000349954998 466326497 /nfs/dbraw/zinc/32/64/97/466326497.db2.gz YZEMFARLCAPAIY-MRXNPFEDSA-N 2 0 347.507 2.115 10 0 EEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310080964 466507398 /nfs/dbraw/zinc/50/73/98/466507398.db2.gz JGULWJZURHXLTR-ZWKOTPCHSA-N 2 0 329.488 2.403 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000422914005 466686636 /nfs/dbraw/zinc/68/66/36/466686636.db2.gz ZPSIRBXPZSXZEE-KXBFYZLASA-N 2 0 340.471 2.199 10 0 EEAERP CC[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423107573 466692937 /nfs/dbraw/zinc/69/29/37/466692937.db2.gz KYCMYBWGLBBRGO-CABCVRRESA-N 2 0 338.883 2.393 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417042149 466762381 /nfs/dbraw/zinc/76/23/81/466762381.db2.gz WUKXHIKBGDBRTM-JZXOWHBKSA-N 2 0 332.492 2.354 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411421789 466824818 /nfs/dbraw/zinc/82/48/18/466824818.db2.gz WECIOGRGGVFJGO-RDJZCZTQSA-N 2 0 339.549 2.195 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000417313314 466830538 /nfs/dbraw/zinc/83/05/38/466830538.db2.gz PBICVKVNHQJIMV-VQIMIIECSA-N 2 0 348.491 2.448 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423890604 466894145 /nfs/dbraw/zinc/89/41/45/466894145.db2.gz AXSSEXAPYQPFPN-GSEOLPGOSA-N 2 0 341.499 2.355 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1cccs1 ZINC000417737757 466920966 /nfs/dbraw/zinc/92/09/66/466920966.db2.gz OFDGMZIWUPFDIT-WBTNSWJXSA-N 2 0 348.516 2.134 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000424329988 467030372 /nfs/dbraw/zinc/03/03/72/467030372.db2.gz RGKYGNINAHIGJD-JKSUJKDBSA-N 2 0 333.476 2.146 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000418087588 467041998 /nfs/dbraw/zinc/04/19/98/467041998.db2.gz HQKZFMFZYSYAMO-UHFFFAOYSA-N 2 0 344.503 2.074 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418145975 467058977 /nfs/dbraw/zinc/05/89/77/467058977.db2.gz ZYJLUQYTDFROIT-JZXOWHBKSA-N 2 0 334.508 2.319 10 0 EEAERP CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000418203748 467074717 /nfs/dbraw/zinc/07/47/17/467074717.db2.gz KOIDYOSXQQKZKH-KEYYUXOJSA-N 2 0 336.480 2.111 10 0 EEAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418467686 467115136 /nfs/dbraw/zinc/11/51/36/467115136.db2.gz OVHIFIPZOKEZRA-QZTJIDSGSA-N 2 0 332.492 2.420 10 0 EEAERP COc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(OC)c1 ZINC000415053664 467477743 /nfs/dbraw/zinc/47/77/43/467477743.db2.gz MPEONGYIDSJHAZ-UHFFFAOYSA-N 2 0 333.476 2.010 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407352479 467484184 /nfs/dbraw/zinc/48/41/84/467484184.db2.gz CFDPLJDFCPSAPD-OTWHNJEPSA-N 2 0 327.472 2.298 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCC(O)CC2)CC1 ZINC000449649503 467676603 /nfs/dbraw/zinc/67/66/03/467676603.db2.gz ITEWXDMLSDXWAZ-SFHVURJKSA-N 2 0 345.531 2.128 10 0 EEAERP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530029954 467942137 /nfs/dbraw/zinc/94/21/37/467942137.db2.gz QPQKBEHGNOWHSG-GOSISDBHSA-N 2 0 349.519 2.155 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000459103460 467950463 /nfs/dbraw/zinc/95/04/63/467950463.db2.gz LJVNDTUUVHSTOF-QAPCUYQASA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@H]1c1ccccc1 ZINC000515223334 467980992 /nfs/dbraw/zinc/98/09/92/467980992.db2.gz NVSYBGRXEGQBRC-PBWTXFEYSA-N 2 0 344.503 2.496 10 0 EEAERP Cc1nc(N(C)C)nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000488392538 468084652 /nfs/dbraw/zinc/08/46/52/468084652.db2.gz FMVBEKMUVBRPPO-INIZCTEOSA-N 2 0 332.496 2.194 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926944 468723659 /nfs/dbraw/zinc/72/36/59/468723659.db2.gz ORRHMCTWQBLATA-NXWXRZEISA-N 2 0 330.472 2.338 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000594968722 468733214 /nfs/dbraw/zinc/73/32/14/468733214.db2.gz IYBHAGXMWOJDIZ-BMGDILEWSA-N 2 0 331.460 2.081 10 0 EEAERP CN1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000571875319 468851711 /nfs/dbraw/zinc/85/17/11/468851711.db2.gz MFTZKDKEQFXLAH-KBPBESRZSA-N 2 0 332.366 2.129 10 0 EEAERP COc1ccccc1[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCCC1 ZINC000561061450 468860991 /nfs/dbraw/zinc/86/09/91/468860991.db2.gz BTHCNZLWKAFTPP-FUHWJXTLSA-N 2 0 345.487 2.290 10 0 EEAERP CC[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000561125640 468865085 /nfs/dbraw/zinc/86/50/85/468865085.db2.gz NSYCUKQAURAWGM-KFKAGJAMSA-N 2 0 344.503 2.121 10 0 EEAERP CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(C)ncc2C)CC1 ZINC000584540377 468896417 /nfs/dbraw/zinc/89/64/17/468896417.db2.gz WRZDVYJULDNFFT-UHFFFAOYSA-N 2 0 347.507 2.158 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000595896169 469068720 /nfs/dbraw/zinc/06/87/20/469068720.db2.gz HRELFWWAQPYOCH-RRFJBIMHSA-N 2 0 338.473 2.396 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000604179239 469461642 /nfs/dbraw/zinc/46/16/42/469461642.db2.gz REECLRPBAXLESD-SFHVURJKSA-N 2 0 332.492 2.162 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000629529414 469572468 /nfs/dbraw/zinc/57/24/68/469572468.db2.gz BYTLZHSUBAVHOD-ZDUSSCGKSA-N 2 0 331.229 2.401 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000606589916 469620950 /nfs/dbraw/zinc/62/09/50/469620950.db2.gz MZJVYXIBHJWVRK-OAHLLOKOSA-N 2 0 334.464 2.151 10 0 EEAERP Cc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ncc1Br ZINC000623358472 469633682 /nfs/dbraw/zinc/63/36/82/469633682.db2.gz BLLXJSCOWDXCGA-UHFFFAOYSA-N 2 0 342.281 2.355 10 0 EEAERP C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCC1 ZINC000630003156 469700285 /nfs/dbraw/zinc/70/02/85/469700285.db2.gz DOPFNJICUXQVPP-RBUKOAKNSA-N 2 0 341.499 2.403 10 0 EEAERP C[C@H](C[NH3+])NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627085246 469809924 /nfs/dbraw/zinc/80/99/24/469809924.db2.gz KQYXRYKWQAUOTQ-NOZJJQNGSA-N 2 0 333.263 2.243 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133880 469820743 /nfs/dbraw/zinc/82/07/43/469820743.db2.gz DUYRVHYRNDOYCO-KRWDZBQOSA-N 2 0 330.476 2.044 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131884 469820796 /nfs/dbraw/zinc/82/07/96/469820796.db2.gz XTYNPZATTOWBOD-QGZVFWFLSA-N 2 0 344.503 2.481 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000627158950 469829073 /nfs/dbraw/zinc/82/90/73/469829073.db2.gz IUISMRUBLICWOH-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627164828 469830935 /nfs/dbraw/zinc/83/09/35/469830935.db2.gz IBVIEXVCUKNKNI-FGTMMUONSA-N 2 0 330.476 2.043 10 0 EEAERP CCC[NH+]1CCC([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000624102090 469841002 /nfs/dbraw/zinc/84/10/02/469841002.db2.gz KGFUALFEVNHPCC-UHFFFAOYSA-N 2 0 334.451 2.407 10 0 EEAERP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000631646108 470176146 /nfs/dbraw/zinc/17/61/46/470176146.db2.gz WYIBYZYDJXBQFF-FHWLQOOXSA-N 2 0 334.504 2.425 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000632482994 470237100 /nfs/dbraw/zinc/23/71/00/470237100.db2.gz OWOWCSBFJVKVFO-DSLXNQLJSA-N 2 0 329.488 2.353 10 0 EEAERP C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000634639698 470272778 /nfs/dbraw/zinc/27/27/78/470272778.db2.gz NRSNOMQYPYOSCC-WOJBJXKFSA-N 2 0 332.488 2.284 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000634745702 470291548 /nfs/dbraw/zinc/29/15/48/470291548.db2.gz PSDCQMTYNGJPHG-NRSPTQNISA-N 2 0 341.499 2.357 10 0 EEAERP [NH3+]C/C=C/CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000641870580 470505653 /nfs/dbraw/zinc/50/56/53/470505653.db2.gz WCRDNAZZCZNBEE-DPZZJQGRSA-N 2 0 342.487 2.199 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000646105728 470528937 /nfs/dbraw/zinc/52/89/37/470528937.db2.gz FLYJXXWKHJIEEI-JLAWEPINSA-N 2 0 345.487 2.006 10 0 EEAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000650720460 470951027 /nfs/dbraw/zinc/95/10/27/470951027.db2.gz QEOBKPAXMVFZTQ-UHFFFAOYSA-N 2 0 328.460 2.173 10 0 EEAERP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650747405 470957458 /nfs/dbraw/zinc/95/74/58/470957458.db2.gz ZOENWGHXIMVXLH-IBGZPJMESA-N 2 0 331.504 2.341 10 0 EEAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1 ZINC000647789576 470984994 /nfs/dbraw/zinc/98/49/94/470984994.db2.gz HJYQLYSNZAWYJF-XMTFNYHQSA-N 2 0 329.488 2.499 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)CC1 ZINC000657349002 471107143 /nfs/dbraw/zinc/10/71/43/471107143.db2.gz AWGALKSWQVOBCT-UHFFFAOYSA-N 2 0 340.471 2.076 10 0 EEAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)O1 ZINC000657367667 471114690 /nfs/dbraw/zinc/11/46/90/471114690.db2.gz RJBJTEZFMVUNCI-IAGOWNOFSA-N 3 0 343.475 2.246 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638513474 471126336 /nfs/dbraw/zinc/12/63/36/471126336.db2.gz MIYVQUUOERYZRM-QYZOEREBSA-N 2 0 329.488 2.483 10 0 EEAERP CC[C@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000652127397 471240178 /nfs/dbraw/zinc/24/01/78/471240178.db2.gz QKCYAPGFHHAHEA-GOSISDBHSA-N 2 0 344.503 2.252 10 0 EEAERP C[C@@H]1CN(C(=O)NC/C=C\C[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652219752 471258001 /nfs/dbraw/zinc/25/80/01/471258001.db2.gz KWLXZZXIYPBGFO-VBHIHJPTSA-N 2 0 330.476 2.194 10 0 EEAERP [NH3+]CC1(CCNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000652244055 471261257 /nfs/dbraw/zinc/26/12/57/471261257.db2.gz SFIWTWGIHJPLLM-UHFFFAOYSA-N 2 0 330.476 2.033 10 0 EEAERP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000658033935 471261359 /nfs/dbraw/zinc/26/13/59/471261359.db2.gz ITUFTIWLUHVHSY-AWEZNQCLSA-N 2 0 333.467 2.052 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)[C@H]2CCC[C@@H]21 ZINC000658138547 471270433 /nfs/dbraw/zinc/27/04/33/471270433.db2.gz NYVBTYQVTNOSCK-WOZUAGRISA-N 3 0 343.515 2.216 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOCCOc2ccccc2)C1 ZINC000652361331 471279391 /nfs/dbraw/zinc/27/93/91/471279391.db2.gz DDNCDLDTEJMOOG-YZGWKJHDSA-N 2 0 348.487 2.443 10 0 EEAERP COC[C@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000660497172 471367870 /nfs/dbraw/zinc/36/78/70/471367870.db2.gz MHBBXDLJDRHBCR-CVEARBPZSA-N 2 0 326.506 2.472 10 0 EEAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)C1 ZINC000669121499 471387351 /nfs/dbraw/zinc/38/73/51/471387351.db2.gz HKKCCKVXPBJTFU-RXYHWBRQSA-N 2 0 330.476 2.233 10 0 EEAERP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000655710141 471450599 /nfs/dbraw/zinc/45/05/99/471450599.db2.gz CRVZHOVPMHATDG-IAGOWNOFSA-N 2 0 334.533 2.467 10 0 EEAERP C[NH+]1CCC(CCNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659029381 471473972 /nfs/dbraw/zinc/47/39/72/471473972.db2.gz HOZMKKRDSHVKPB-GOSISDBHSA-N 2 0 346.475 2.201 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C[C@H]1C ZINC000659040022 471482972 /nfs/dbraw/zinc/48/29/72/471482972.db2.gz MILHOAZVKSCZFJ-RVKKMQEKSA-N 2 0 346.475 2.294 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420568 471489279 /nfs/dbraw/zinc/48/92/79/471489279.db2.gz QNHXRKQGXPTBTA-NZSAHSFTSA-N 2 0 344.503 2.196 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000659428225 471621617 /nfs/dbraw/zinc/62/16/17/471621617.db2.gz YRHNTZBGJZHASR-URSIVYNOSA-N 2 0 330.476 2.202 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000653477133 471631415 /nfs/dbraw/zinc/63/14/15/471631415.db2.gz GFNBXZIOQMMUQM-OWCLPIDISA-N 2 0 334.464 2.056 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC[C@H]1F ZINC000659456322 471636767 /nfs/dbraw/zinc/63/67/67/471636767.db2.gz KOMLAXLJOXBOJC-KZNAEPCWSA-N 2 0 348.466 2.294 10 0 EEAERP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659609506 471699030 /nfs/dbraw/zinc/69/90/30/471699030.db2.gz BDUWEGHFDURLMS-AEFFLSMTSA-N 2 0 344.503 2.277 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000667329289 471739973 /nfs/dbraw/zinc/73/99/73/471739973.db2.gz FCDBJWFRKCUENO-QRQLOZEOSA-N 2 0 344.503 2.385 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667888934 471939371 /nfs/dbraw/zinc/93/93/71/471939371.db2.gz LJDQYROBKOTJQX-QUCCMNQESA-N 2 0 330.472 2.300 10 0 EEAERP Fc1ccc(C[N@@H+]2CCC3(COC3)C2)cc1C[NH+]1CCC2(COC2)C1 ZINC000662072254 471976084 /nfs/dbraw/zinc/97/60/84/471976084.db2.gz DIUFIKIDGVCHDI-UHFFFAOYSA-N 2 0 346.446 2.270 10 0 EEAERP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282359 471989279 /nfs/dbraw/zinc/98/92/79/471989279.db2.gz WJXJSDJXLCXTQX-QZTJIDSGSA-N 2 0 331.464 2.381 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000665289496 471990883 /nfs/dbraw/zinc/99/08/83/471990883.db2.gz PNWUHJDFBZVQPO-AWEZNQCLSA-N 2 0 349.475 2.042 10 0 EEAERP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@H]1CCC3(C[NH2+]C3)O1)OCCO2 ZINC000662248823 472041179 /nfs/dbraw/zinc/04/11/79/472041179.db2.gz JZTZYWSSALFZBK-CVEARBPZSA-N 2 0 330.428 2.116 10 0 EEAERP COc1ccccc1COC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279522 472054065 /nfs/dbraw/zinc/05/40/65/472054065.db2.gz KWLALNOWJQYIFI-GOSISDBHSA-N 2 0 346.471 2.197 10 0 EEAERP C[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665640119 472120074 /nfs/dbraw/zinc/12/00/74/472120074.db2.gz NVGAPSYYQWGLMU-JKSUJKDBSA-N 2 0 335.496 2.056 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)C[C@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000662514217 472136059 /nfs/dbraw/zinc/13/60/59/472136059.db2.gz LQBALMRJOJESSH-DJKXOVBDSA-N 2 0 343.471 2.089 10 0 EEAERP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662615012 472175759 /nfs/dbraw/zinc/17/57/59/472175759.db2.gz WZTYOJVQISZDLC-QGZVFWFLSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758402 472238847 /nfs/dbraw/zinc/23/88/47/472238847.db2.gz OGMQGYRXMKBVER-YJBOKZPZSA-N 2 0 329.488 2.483 10 0 EEAERP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662774615 472246440 /nfs/dbraw/zinc/24/64/40/472246440.db2.gz SEJAHDPRFXVBPY-OAHLLOKOSA-N 2 0 342.443 2.218 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CCO[C@](C)(C(F)F)C2)cc1 ZINC000668825627 472286595 /nfs/dbraw/zinc/28/65/95/472286595.db2.gz PNFGZLYUEMECOD-KRWDZBQOSA-N 2 0 328.403 2.483 10 0 EEAERP CN(CCC(=O)N(CC[NH+](C)C)Cc1ccco1)c1cc[nH+]cc1 ZINC000679410658 485690082 /nfs/dbraw/zinc/69/00/82/485690082.db2.gz YLZLBTBRJCAVRE-UHFFFAOYSA-N 2 0 330.432 2.091 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000629541296 485730316 /nfs/dbraw/zinc/73/03/16/485730316.db2.gz YGRLABKYZUQWPB-SJORKVTESA-N 2 0 326.868 2.385 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000680495211 485984457 /nfs/dbraw/zinc/98/44/57/485984457.db2.gz OFPXJZZRYUXYPC-UHFFFAOYSA-N 2 0 329.448 2.025 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCCc2cccnc21)C(=O)NCC[NH+](C)C ZINC000684962161 486047217 /nfs/dbraw/zinc/04/72/17/486047217.db2.gz YGOUTSFMGZQZOM-IRXDYDNUSA-N 2 0 332.492 2.141 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000415956143 528355002 /nfs/dbraw/zinc/35/50/02/528355002.db2.gz NOIYIDGBMKVWAU-KRWDZBQOSA-N 2 0 348.491 2.155 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422709412 536595858 /nfs/dbraw/zinc/59/58/58/536595858.db2.gz DERNKWXDJZQYTP-MRXNPFEDSA-N 2 0 331.416 2.375 10 0 EEAERP COc1ccc2c(c1OC)CC[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000242346911 537029035 /nfs/dbraw/zinc/02/90/35/537029035.db2.gz ZKCVKBDNBYALDX-GOSISDBHSA-N 2 0 347.503 2.307 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000730731864 577052814 /nfs/dbraw/zinc/05/28/14/577052814.db2.gz QBQKFKGBAMIWEQ-GJZGRUSLSA-N 2 0 328.570 2.301 10 0 EEAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COCc3ccccc3Cl)C2)C1 ZINC000292264814 678701492 /nfs/dbraw/zinc/70/14/92/678701492.db2.gz YYUPPGJLSMUVNF-SJLPKXTDSA-N 2 0 338.879 2.245 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C)[C@@H]3C)cc2)CC1 ZINC000924693422 693174132 /nfs/dbraw/zinc/17/41/32/693174132.db2.gz ZCPLRDJNNNEVSO-SQGPQFPESA-N 2 0 331.504 2.337 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485541125 1191828921 /nfs/dbraw/zinc/82/89/21/1191828921.db2.gz XRUBWDWNPQAGEO-KXBFYZLASA-N 2 0 329.488 2.451 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cnccc2C)CC[N@@H+]1C ZINC001485723217 1191910352 /nfs/dbraw/zinc/91/03/52/1191910352.db2.gz ZBYRLBBMYGCHSV-YTQUADARSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001485724269 1191910731 /nfs/dbraw/zinc/91/07/31/1191910731.db2.gz NKXIJIGOYKLAAG-MAUKXSAKSA-N 2 0 348.491 2.456 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC001485728320 1191919949 /nfs/dbraw/zinc/91/99/49/1191919949.db2.gz XSVCFKDUHGFMEZ-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)on1 ZINC001485787015 1191952490 /nfs/dbraw/zinc/95/24/90/1191952490.db2.gz XWRGZZFFTINHLP-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(C)nc1C ZINC001480871353 1176448995 /nfs/dbraw/zinc/44/89/95/1176448995.db2.gz LPKXJDKMZVZBPX-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001266534591 1176773459 /nfs/dbraw/zinc/77/34/59/1176773459.db2.gz MAPXPICPGPWXPA-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001671342775 1176885231 /nfs/dbraw/zinc/88/52/31/1176885231.db2.gz UIMLDHDQYYEMNF-IBGZPJMESA-N 2 0 343.515 2.460 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001266725540 1177310297 /nfs/dbraw/zinc/31/02/97/1177310297.db2.gz KXZLYMCXOPEPLI-QRQLOZEOSA-N 2 0 347.478 2.337 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001266735040 1177324647 /nfs/dbraw/zinc/32/46/47/1177324647.db2.gz GJOHIJPTCOITRK-HDICACEKSA-N 2 0 347.503 2.259 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001266826123 1177498180 /nfs/dbraw/zinc/49/81/80/1177498180.db2.gz NRINBLNFNOPHFU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001266826125 1177498276 /nfs/dbraw/zinc/49/82/76/1177498276.db2.gz NRINBLNFNOPHFU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC001266855857 1177583266 /nfs/dbraw/zinc/58/32/66/1177583266.db2.gz GRPVFVHWTGBTKK-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001691319498 1177904243 /nfs/dbraw/zinc/90/42/43/1177904243.db2.gz LINLFKMTKMBWET-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C1([NH+](C)C)CCC1 ZINC001691345596 1177941829 /nfs/dbraw/zinc/94/18/29/1177941829.db2.gz FCSZCOBOLTUEJV-UHFFFAOYSA-N 2 0 328.460 2.200 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691403100 1178013335 /nfs/dbraw/zinc/01/33/35/1178013335.db2.gz XZTHKDOHGOIMMR-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001266989119 1178045000 /nfs/dbraw/zinc/04/50/00/1178045000.db2.gz SNMLRQSEMLZTIX-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001267057266 1178164356 /nfs/dbraw/zinc/16/43/56/1178164356.db2.gz DQDBHOSWNVBIHV-RBUKOAKNSA-N 2 0 331.504 2.253 10 0 EEAERP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267111374 1178268411 /nfs/dbraw/zinc/26/84/11/1178268411.db2.gz OACZCQMZQXKJAB-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001691446470 1178832190 /nfs/dbraw/zinc/83/21/90/1178832190.db2.gz WZHBOLZYYOIAGL-KGLIPLIRSA-N 2 0 337.430 2.355 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1C ZINC001267418360 1178984809 /nfs/dbraw/zinc/98/48/09/1178984809.db2.gz HGZXYHGWGCUWIU-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001267437832 1179010572 /nfs/dbraw/zinc/01/05/72/1179010572.db2.gz YTPFZYCEAHNCFS-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cnc(CNCCN(C)C(=O)C2CC[NH+](C(C)C)CC2)s1 ZINC001267449434 1179030309 /nfs/dbraw/zinc/03/03/09/1179030309.db2.gz AYIGEZYXWZTILT-UHFFFAOYSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1F ZINC001481151963 1179932323 /nfs/dbraw/zinc/93/23/23/1179932323.db2.gz YGZORWFPAJFUNU-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1ccc(C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c(C)n1 ZINC001481171149 1179982267 /nfs/dbraw/zinc/98/22/67/1179982267.db2.gz ZNDNDCQDRAOAKO-VQIMIIECSA-N 2 0 344.503 2.119 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)C[N@H+](C)C1CCC1 ZINC001481240400 1180406280 /nfs/dbraw/zinc/40/62/80/1180406280.db2.gz HUMGWPZIKCYOKP-UHFFFAOYSA-N 2 0 329.444 2.465 10 0 EEAERP CN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481268449 1180542892 /nfs/dbraw/zinc/54/28/92/1180542892.db2.gz XMLJQUWAFUJIKS-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481271061 1180566198 /nfs/dbraw/zinc/56/61/98/1180566198.db2.gz MZCXLWQNDGNYBG-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC001481276928 1180658987 /nfs/dbraw/zinc/65/89/87/1180658987.db2.gz IEIYSUDFBMZUMM-LJQANCHMSA-N 2 0 342.487 2.369 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001481463350 1181468770 /nfs/dbraw/zinc/46/87/70/1181468770.db2.gz DZAYFUGXJAYGLU-PMACEKPBSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268367039 1182348908 /nfs/dbraw/zinc/34/89/08/1182348908.db2.gz RPYIJWHBVGHAQI-BFHYXJOUSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268399927 1182489988 /nfs/dbraw/zinc/48/99/88/1182489988.db2.gz NYWZLLLZQMJWTP-IAGOWNOFSA-N 2 0 346.519 2.079 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCOCC(C)C)C1 ZINC001481753861 1182553282 /nfs/dbraw/zinc/55/32/82/1182553282.db2.gz ZKZMKZGAWGAKLB-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001481848818 1182784103 /nfs/dbraw/zinc/78/41/03/1182784103.db2.gz GGEAGGYNXMZYAN-CYBMUJFWSA-N 2 0 329.847 2.415 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ns1 ZINC001481880817 1182863229 /nfs/dbraw/zinc/86/32/29/1182863229.db2.gz HMFZFACEJOWEFR-HOCLYGCPSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@](C[NH2+]C[C@H]1CCC(F)(F)C1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950137 1183018147 /nfs/dbraw/zinc/01/81/47/1183018147.db2.gz GSLMKJWAGAVDHU-WMLDXEAASA-N 2 0 343.462 2.392 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)cs1)C(=O)CC[NH+]1CCCCC1 ZINC001268499300 1183028565 /nfs/dbraw/zinc/02/85/65/1183028565.db2.gz JBNGRRQFEKPLRA-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCCF)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960220 1183041477 /nfs/dbraw/zinc/04/14/77/1183041477.db2.gz CHUWWRCUACRCFB-CRAIPNDOSA-N 2 0 327.488 2.343 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001481980681 1183074830 /nfs/dbraw/zinc/07/48/30/1183074830.db2.gz BXZLBOQRMPDKHU-QGZVFWFLSA-N 2 0 339.499 2.440 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1cncs1)[NH+]1CCCCC1 ZINC001268539262 1183204437 /nfs/dbraw/zinc/20/44/37/1183204437.db2.gz RGNYFTGIGJYWIS-SNAWJCMRSA-N 2 0 336.505 2.170 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)c1C ZINC001268550899 1183235200 /nfs/dbraw/zinc/23/52/00/1183235200.db2.gz WTCCFSZFFVTSQR-WAYWQWQTSA-N 2 0 345.487 2.250 10 0 EEAERP CCOCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001482072396 1183291200 /nfs/dbraw/zinc/29/12/00/1183291200.db2.gz YIRWQYVGAKDKOX-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001268624717 1183547507 /nfs/dbraw/zinc/54/75/07/1183547507.db2.gz FUCUPQOUORACEP-ZMXQLYDGSA-N 2 0 331.435 2.171 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268674265 1183600572 /nfs/dbraw/zinc/60/05/72/1183600572.db2.gz OBPFBFJBUNPDAX-ZBFHGGJFSA-N 2 0 337.895 2.319 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)cnc2c1 ZINC001268757846 1183672576 /nfs/dbraw/zinc/67/25/76/1183672576.db2.gz FAFVGZJGWHQGLM-IRXDYDNUSA-N 2 0 344.459 2.167 10 0 EEAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847244 1183763451 /nfs/dbraw/zinc/76/34/51/1183763451.db2.gz GACKKKXYHQFSAL-KQQSKNTNSA-N 2 0 333.879 2.390 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1)[NH+]1CCCCCC1 ZINC001268869019 1183777072 /nfs/dbraw/zinc/77/70/72/1183777072.db2.gz OVIRLZOJYWIXNL-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297287 1184148598 /nfs/dbraw/zinc/14/85/98/1184148598.db2.gz XBXMWKCJUIBLHM-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001269493561 1184315509 /nfs/dbraw/zinc/31/55/09/1184315509.db2.gz YAXJCCHZOOGBGJ-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001270024597 1184793796 /nfs/dbraw/zinc/79/37/96/1184793796.db2.gz HHMWQMXIOKQQAF-BZSNNMDCSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001270051349 1184812976 /nfs/dbraw/zinc/81/29/76/1184812976.db2.gz VIFOUFDZBACCEF-FUHWJXTLSA-N 2 0 337.508 2.009 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001270437047 1185100649 /nfs/dbraw/zinc/10/06/49/1185100649.db2.gz VJBJDPOBMKCFJB-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@]1(C[NH2+]CCCF)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001270752834 1185369978 /nfs/dbraw/zinc/36/99/78/1185369978.db2.gz QBJLMGCUBAWZEJ-SFHVURJKSA-N 2 0 345.422 2.069 10 0 EEAERP CCCCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270779116 1185384455 /nfs/dbraw/zinc/38/44/55/1185384455.db2.gz LLUPNCZZGIPVHG-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482392665 1185597960 /nfs/dbraw/zinc/59/79/60/1185597960.db2.gz XYQIZKSTDJPQHR-JENIJYKNSA-N 2 0 346.519 2.432 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001482396465 1185609979 /nfs/dbraw/zinc/60/99/79/1185609979.db2.gz LYQVILPHHJEGPW-LJQANCHMSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001482428320 1185689153 /nfs/dbraw/zinc/68/91/53/1185689153.db2.gz IFHZYSJPPULQEZ-SUMWQHHRSA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)Cc2ccccn2)CC1 ZINC001482507676 1186423375 /nfs/dbraw/zinc/42/33/75/1186423375.db2.gz ZFRUPZYVMNVTJA-UHFFFAOYSA-N 2 0 332.492 2.094 10 0 EEAERP CC(C)[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001482563057 1186841719 /nfs/dbraw/zinc/84/17/19/1186841719.db2.gz FECCOMKWCFRAJG-QGZVFWFLSA-N 2 0 341.540 2.264 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCF)cc1 ZINC001482689860 1187664661 /nfs/dbraw/zinc/66/46/61/1187664661.db2.gz RIRTUDYLWRZGBG-ROUUACIJSA-N 2 0 335.467 2.248 10 0 EEAERP CCN1CCO[C@H](C(=O)N[C@@H](C)CC[NH2+]CC2CCCCCC2)C1 ZINC001482900943 1187812996 /nfs/dbraw/zinc/81/29/96/1187812996.db2.gz LUOHNIDTVNTQBS-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2ncccc2C)CC[N@@H+]1C ZINC001482925620 1187845635 /nfs/dbraw/zinc/84/56/35/1187845635.db2.gz STLXSZDEHBEJFQ-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482945032 1187875732 /nfs/dbraw/zinc/87/57/32/1187875732.db2.gz WHCCNZDWOOWNMH-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CCN(CCNCc1nccs1)C(=O)Cn1ccnc1C(C)C ZINC001482953256 1187880006 /nfs/dbraw/zinc/88/00/06/1187880006.db2.gz MMJWPPYWGASNKE-UHFFFAOYSA-N 2 0 335.477 2.101 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1cnc(C)cn1)C(=O)CC[NH+]1CCCCC1 ZINC001482969596 1187909880 /nfs/dbraw/zinc/90/98/80/1187909880.db2.gz HNVHUGWWDVBBEZ-QGZVFWFLSA-N 2 0 347.507 2.160 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC001483053248 1188297354 /nfs/dbraw/zinc/29/73/54/1188297354.db2.gz CYCGPMBJNMAKNY-WOMSROEHSA-N 2 0 343.462 2.416 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001691619709 1188320214 /nfs/dbraw/zinc/32/02/14/1188320214.db2.gz XIIUBCJMUWLQFY-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1c(F)cccc1F ZINC001483093089 1188460210 /nfs/dbraw/zinc/46/02/10/1188460210.db2.gz NHOFZCUMRREKQB-NVFZZLLCSA-N 2 0 337.414 2.240 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1)[NH+](C)C ZINC001409288608 1188600894 /nfs/dbraw/zinc/60/08/94/1188600894.db2.gz PWNHZZDYLLLSOY-VJFUWPCTSA-N 2 0 335.467 2.396 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866536 1193583648 /nfs/dbraw/zinc/58/36/48/1193583648.db2.gz ZDKGUPAVKLTINW-VQIMIIECSA-N 2 0 346.519 2.221 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001483197506 1189082939 /nfs/dbraw/zinc/08/29/39/1189082939.db2.gz LPINKBZBTJAHBT-APWZRJJASA-N 2 0 347.503 2.410 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001485914592 1193638453 /nfs/dbraw/zinc/63/84/53/1193638453.db2.gz MLAAKBWALPCBGE-YDHLFZDLSA-N 2 0 331.451 2.199 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001485920010 1193640300 /nfs/dbraw/zinc/64/03/00/1193640300.db2.gz PRHSGTANYCZGRE-QGZVFWFLSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)[N@H+](C)CC1CCCC1 ZINC001409563629 1190039228 /nfs/dbraw/zinc/03/92/28/1190039228.db2.gz GBCQTDVANWSSAL-OAHLLOKOSA-N 2 0 332.492 2.389 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001409649141 1190147914 /nfs/dbraw/zinc/14/79/14/1190147914.db2.gz RQNPOKRXOZSEHD-CQSZACIVSA-N 2 0 335.879 2.372 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001483262330 1190287283 /nfs/dbraw/zinc/28/72/83/1190287283.db2.gz XGZVVSZBMHZOMD-DZGCQCFKSA-N 2 0 331.451 2.248 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)cc1C ZINC001483384917 1190434009 /nfs/dbraw/zinc/43/40/09/1190434009.db2.gz SUTLLFIASBTGSP-RDJZCZTQSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001483436823 1190480284 /nfs/dbraw/zinc/48/02/84/1190480284.db2.gz KQAATXPCWGGFET-WMLDXEAASA-N 2 0 332.423 2.490 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483444454 1190482585 /nfs/dbraw/zinc/48/25/85/1190482585.db2.gz WEOSMTZICSCQNA-JKSUJKDBSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]Cc1cscn1)[NH+]1CCCCCC1 ZINC001483495841 1190511947 /nfs/dbraw/zinc/51/19/47/1190511947.db2.gz LOCVFHJDVLGANH-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1csc(C[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)n1 ZINC001483495788 1190512160 /nfs/dbraw/zinc/51/21/60/1190512160.db2.gz KCPHVCKWZKJHOF-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ncsc1C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001483496513 1190513293 /nfs/dbraw/zinc/51/32/93/1190513293.db2.gz WWFQLOWOZZHEIS-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483502882 1190517907 /nfs/dbraw/zinc/51/79/07/1190517907.db2.gz DZBRXGXZOFGFKC-UHFFFAOYSA-N 2 0 344.503 2.142 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001483620806 1190602828 /nfs/dbraw/zinc/60/28/28/1190602828.db2.gz MSMWLZVSQKXAFQ-AEFFLSMTSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001486131640 1193689996 /nfs/dbraw/zinc/68/99/96/1193689996.db2.gz XUYSFQKLWCGNOZ-ZWKOTPCHSA-N 2 0 345.487 2.049 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001486143438 1193695413 /nfs/dbraw/zinc/69/54/13/1193695413.db2.gz BVYAAPGHWGYCBC-LZLYRXPVSA-N 2 0 325.472 2.190 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001272525059 1190867250 /nfs/dbraw/zinc/86/72/50/1190867250.db2.gz XBXWQKSJACHLHJ-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccnc(Cl)c2)CC1)C12CCC[NH+]1CCC2 ZINC001483748984 1190907382 /nfs/dbraw/zinc/90/73/82/1190907382.db2.gz JKBBJGWRWFEYRE-UHFFFAOYSA-N 2 0 348.878 2.102 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1(N[C@H](C)c2cnccn2)CC1 ZINC001483773406 1191011271 /nfs/dbraw/zinc/01/12/71/1191011271.db2.gz JKSSLEAUXPVHKY-WBVHZDCISA-N 2 0 345.491 2.039 10 0 EEAERP COCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001483800709 1191042273 /nfs/dbraw/zinc/04/22/73/1191042273.db2.gz BFDDYOLFHPWOAN-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483832292 1191069615 /nfs/dbraw/zinc/06/96/15/1191069615.db2.gz GLVSWQAGTHIPGT-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483917117 1191115817 /nfs/dbraw/zinc/11/58/17/1191115817.db2.gz UCXYDRCVGYUMFU-HSWBZUAGSA-N 2 0 346.302 2.370 10 0 EEAERP Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001484082770 1191198594 /nfs/dbraw/zinc/19/85/94/1191198594.db2.gz KQWHVFBJBVHICN-ICSRJNTNSA-N 2 0 329.488 2.417 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001484097153 1191209324 /nfs/dbraw/zinc/20/93/24/1191209324.db2.gz SIGROJYGKABJPR-INIZCTEOSA-N 2 0 327.469 2.221 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001484122136 1191221678 /nfs/dbraw/zinc/22/16/78/1191221678.db2.gz BJYWACGPTAPOAQ-OAHLLOKOSA-N 2 0 337.430 2.499 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001484376764 1191321047 /nfs/dbraw/zinc/32/10/47/1191321047.db2.gz KFWBPZMMCKWEGW-ZBFHGGJFSA-N 2 0 337.895 2.476 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001484382850 1191322994 /nfs/dbraw/zinc/32/29/94/1191322994.db2.gz MOQRZCPSRGZVOI-DOTOQJQBSA-N 2 0 335.467 2.352 10 0 EEAERP O=C(Cc1ncc[nH]1)N1CC[C@@H](CC[NH2+]CCCc2ccccc2)C1 ZINC001484543336 1191403172 /nfs/dbraw/zinc/40/31/72/1191403172.db2.gz KXIRARUNDCGRKC-GOSISDBHSA-N 2 0 340.471 2.413 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484547029 1191408409 /nfs/dbraw/zinc/40/84/09/1191408409.db2.gz LYONBSHACKOEBB-WMZOPIPTSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@H](C)OC)CC2)CC[N@@H+]1C ZINC001484568404 1191421266 /nfs/dbraw/zinc/42/12/66/1191421266.db2.gz IDDHUKPKVGTQOW-KFGODFMUSA-N 2 0 339.524 2.016 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CC(F)(F)C3)CCC2)C1 ZINC001484660953 1191461875 /nfs/dbraw/zinc/46/18/75/1191461875.db2.gz XHLNAZJELGSIFQ-CYBMUJFWSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001484725730 1191485589 /nfs/dbraw/zinc/48/55/89/1191485589.db2.gz FCHWEQOZJOUMMG-IRXDYDNUSA-N 2 0 336.480 2.040 10 0 EEAERP CCC1([NH2+]Cc2ccns2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484809706 1191532265 /nfs/dbraw/zinc/53/22/65/1191532265.db2.gz LLWSJBNWQQPZFC-HNNXBMFYSA-N 2 0 336.505 2.098 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)[C@@H](C)C1 ZINC001484902211 1191565831 /nfs/dbraw/zinc/56/58/31/1191565831.db2.gz QLOJBBMJYDBCIQ-LPHOPBHVSA-N 2 0 346.519 2.031 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001484943237 1191588217 /nfs/dbraw/zinc/58/82/17/1191588217.db2.gz LOHCLDONQJXOHF-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001485224425 1191696790 /nfs/dbraw/zinc/69/67/90/1191696790.db2.gz IOAVDXFJGTXRPN-JKSUJKDBSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]2CCCC2)sn1 ZINC001485265121 1191710830 /nfs/dbraw/zinc/71/08/30/1191710830.db2.gz PCWIMROUQFJGNK-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485300383 1191725869 /nfs/dbraw/zinc/72/58/69/1191725869.db2.gz DJXRNGUTFDIMEI-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485300832 1191726283 /nfs/dbraw/zinc/72/62/83/1191726283.db2.gz RUQRKEAQUVRDKK-FUHWJXTLSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CCN(C)C(=O)C23CC[NH+](CC2)C3)C(C)C)o1 ZINC001485439115 1191785380 /nfs/dbraw/zinc/78/53/80/1191785380.db2.gz CZGODWHRCFWJBM-QGZVFWFLSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001486404395 1193928815 /nfs/dbraw/zinc/92/88/15/1193928815.db2.gz IDYDHGOAZZTCNT-MRXNPFEDSA-N 2 0 329.448 2.411 10 0 EEAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001486519984 1194040783 /nfs/dbraw/zinc/04/07/83/1194040783.db2.gz YOAGCDCSVUPMSJ-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702093928 1195725724 /nfs/dbraw/zinc/72/57/24/1195725724.db2.gz AVENLLREJJHTKQ-SXLOBPIMSA-N 2 0 329.488 2.484 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)c1 ZINC001410038565 1197504192 /nfs/dbraw/zinc/50/41/92/1197504192.db2.gz TYFOWPCKPVDYGW-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)c1 ZINC001410038579 1197504249 /nfs/dbraw/zinc/50/42/49/1197504249.db2.gz TYFOWPCKPVDYGW-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]3C2)c1 ZINC001410179769 1197589007 /nfs/dbraw/zinc/58/90/07/1197589007.db2.gz HXUYQLFZYLGIFW-GBESFXJTSA-N 2 0 344.503 2.058 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)c(C)n1 ZINC001410332790 1197720892 /nfs/dbraw/zinc/72/08/92/1197720892.db2.gz RUYDFTDLAPNJIS-LJQANCHMSA-N 2 0 344.503 2.121 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001410372124 1197765561 /nfs/dbraw/zinc/76/55/61/1197765561.db2.gz BZBDBMSUARKVHH-ZBFHGGJFSA-N 2 0 336.480 2.048 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncs1 ZINC001410444389 1197924031 /nfs/dbraw/zinc/92/40/31/1197924031.db2.gz BQOMTHNUVFDOEQ-GDBMZVCRSA-N 2 0 338.521 2.343 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCOC1 ZINC000872021976 1198028475 /nfs/dbraw/zinc/02/84/75/1198028475.db2.gz UTTCKRZTCHAGBR-ZWKOTPCHSA-N 2 0 332.492 2.128 10 0 EEAERP CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872034738 1198032594 /nfs/dbraw/zinc/03/25/94/1198032594.db2.gz IRWRQPRXALOCNH-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C ZINC000872145948 1198054230 /nfs/dbraw/zinc/05/42/30/1198054230.db2.gz ZVVJMTFYOVTBED-YQVWRLOYSA-N 2 0 346.471 2.500 10 0 EEAERP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000872230377 1198100335 /nfs/dbraw/zinc/10/03/35/1198100335.db2.gz ZFGNTGDNRSAZSJ-QPIRBTGLSA-N 2 0 348.487 2.481 10 0 EEAERP CC(C)[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257560 1198115230 /nfs/dbraw/zinc/11/52/30/1198115230.db2.gz SYGJRXAATYEMOK-MKXGPGLRSA-N 2 0 343.471 2.293 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(CC)([NH+](C)C)CC1 ZINC000865250923 1198141375 /nfs/dbraw/zinc/14/13/75/1198141375.db2.gz LSASTWQHMQBPND-HNNXBMFYSA-N 2 0 326.554 2.151 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323452 1198165234 /nfs/dbraw/zinc/16/52/34/1198165234.db2.gz NNMPQQGHPSCSOD-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000865660912 1198319902 /nfs/dbraw/zinc/31/99/02/1198319902.db2.gz ZTYCGZCFFHZKRF-IHPCNDPISA-N 2 0 345.531 2.474 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1)[NH+](C)C ZINC001411242319 1198961994 /nfs/dbraw/zinc/96/19/94/1198961994.db2.gz YUAWUUUPXAEXQF-JQHSSLGASA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC000870016979 1200409925 /nfs/dbraw/zinc/40/99/25/1200409925.db2.gz DHCADTYWNQOCKY-QQXKLLMISA-N 2 0 335.536 2.401 10 0 EEAERP C[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000870018810 1200410816 /nfs/dbraw/zinc/41/08/16/1200410816.db2.gz HIOMWOHHYGAANV-CJSSEVFESA-N 2 0 343.515 2.234 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870023960 1200413324 /nfs/dbraw/zinc/41/33/24/1200413324.db2.gz QDATWMYOVSABTL-GGPKGHCWSA-N 2 0 343.515 2.304 10 0 EEAERP Cc1cccc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024779 1200414398 /nfs/dbraw/zinc/41/43/98/1200414398.db2.gz SXXXWOPYTLKWHB-RTBURBONSA-N 2 0 331.504 2.125 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870880332 1200929316 /nfs/dbraw/zinc/92/93/16/1200929316.db2.gz ZLWBVNUMAOEEAE-KBPBESRZSA-N 2 0 340.265 2.002 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870885122 1200932287 /nfs/dbraw/zinc/93/22/87/1200932287.db2.gz OFEPZVSBSSCQAG-CQSZACIVSA-N 2 0 342.281 2.297 10 0 EEAERP Cc1cccc(CN2CCO[C@@H](CNC(=O)CCCCCC[NH3+])C2)c1 ZINC000870977979 1200986331 /nfs/dbraw/zinc/98/63/31/1200986331.db2.gz NUKQXNHPHWWMPS-IBGZPJMESA-N 2 0 347.503 2.221 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866259473 1201478268 /nfs/dbraw/zinc/47/82/68/1201478268.db2.gz MXCJBLQWFOBZSW-IEBWSBKVSA-N 2 0 335.467 2.321 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868103217 1201743988 /nfs/dbraw/zinc/74/39/88/1201743988.db2.gz SBYPQFSPRHLLMO-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCOCC1 ZINC001274001816 1204277722 /nfs/dbraw/zinc/27/77/22/1204277722.db2.gz CLQCSAMIQXKVHJ-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001274021483 1204327178 /nfs/dbraw/zinc/32/71/78/1204327178.db2.gz XITABMCPOCGGOW-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274610781 1205096858 /nfs/dbraw/zinc/09/68/58/1205096858.db2.gz QOZPQVGKKBKVNP-VZSQWMKGSA-N 2 0 344.503 2.272 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274610777 1205097095 /nfs/dbraw/zinc/09/70/95/1205097095.db2.gz QOZPQVGKKBKVNP-PXPVJAHISA-N 2 0 344.503 2.272 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)[NH+](C)C ZINC001274913821 1205206884 /nfs/dbraw/zinc/20/68/84/1205206884.db2.gz XBKQXTSIFQLXMW-QLFBSQMISA-N 2 0 333.467 2.492 10 0 EEAERP O=C(NC1CC(C[NH2+]CC=C(Cl)Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001275233050 1205286805 /nfs/dbraw/zinc/28/68/05/1205286805.db2.gz MCOJPYGRWHHPJE-UBHUBRDASA-N 2 0 346.302 2.132 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275472799 1205376288 /nfs/dbraw/zinc/37/62/88/1205376288.db2.gz XYUPLDMAPXQELG-CHWSQXEVSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275928204 1205590243 /nfs/dbraw/zinc/59/02/43/1205590243.db2.gz GZPSYTOVYMBKQF-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275977485 1205614632 /nfs/dbraw/zinc/61/46/32/1205614632.db2.gz SNHBXSQFFLNALJ-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001275978323 1205615537 /nfs/dbraw/zinc/61/55/37/1205615537.db2.gz ZGZLTVZOUNDJTP-CZUORRHYSA-N 2 0 340.899 2.258 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001276070643 1205760074 /nfs/dbraw/zinc/76/00/74/1205760074.db2.gz JSZNXKVNNSHZMA-SJORKVTESA-N 2 0 348.491 2.246 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]Cc2ccccn2)ccc2c[nH+]cn21 ZINC001276092040 1205776919 /nfs/dbraw/zinc/77/69/19/1205776919.db2.gz BLGKYFXOCPHSJY-UHFFFAOYSA-N 2 0 337.427 2.290 10 0 EEAERP C(N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000925499639 1206119916 /nfs/dbraw/zinc/11/99/16/1206119916.db2.gz RPRDCBIMLXSADP-RTBURBONSA-N 2 0 335.536 2.389 10 0 EEAERP COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925505852 1206120875 /nfs/dbraw/zinc/12/08/75/1206120875.db2.gz UEAGLOKDOCNOTB-OWSLCNJRSA-N 2 0 334.460 2.103 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C12CCC2 ZINC000925566850 1206129222 /nfs/dbraw/zinc/12/92/22/1206129222.db2.gz GZRPOEMKXKGEKF-BPLDGKMQSA-N 2 0 344.377 2.305 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925706107 1206144863 /nfs/dbraw/zinc/14/48/63/1206144863.db2.gz LFNHNHBZWCGFRE-OALUTQOASA-N 3 0 344.547 2.476 10 0 EEAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925774483 1206152959 /nfs/dbraw/zinc/15/29/59/1206152959.db2.gz AMVHMNXYPKBNPR-UNEWFSDZSA-N 2 0 337.414 2.077 10 0 EEAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N2CCNC2=O)cc1 ZINC000925836603 1206158871 /nfs/dbraw/zinc/15/88/71/1206158871.db2.gz AZRBADWBJVMWCK-LSBZLQRGSA-N 2 0 328.460 2.399 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1OC ZINC000925848364 1206160177 /nfs/dbraw/zinc/16/01/77/1206160177.db2.gz GHQAPFNBDWKJTG-MRXNPFEDSA-N 2 0 335.492 2.430 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1cccnc1 ZINC000925907226 1206166384 /nfs/dbraw/zinc/16/63/84/1206166384.db2.gz ZAYRLVMQFBCDLM-QGZVFWFLSA-N 2 0 347.507 2.106 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000925954802 1206174126 /nfs/dbraw/zinc/17/41/26/1206174126.db2.gz ZTXDACRZJVZCJS-LJQANCHMSA-N 2 0 346.475 2.377 10 0 EEAERP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926144974 1206198511 /nfs/dbraw/zinc/19/85/11/1206198511.db2.gz AHLJUFSRFZDSNZ-DLBZAZTESA-N 2 0 346.500 2.034 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CCC=CCC2)C[C@H]1C[NH+](C)C ZINC000927718247 1206294850 /nfs/dbraw/zinc/29/48/50/1206294850.db2.gz WICWJQMENQWCSP-QZTJIDSGSA-N 2 0 336.524 2.114 10 0 EEAERP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CCCCC1 ZINC000928089827 1206339078 /nfs/dbraw/zinc/33/90/78/1206339078.db2.gz LDDBZEZKUOBYRJ-IAGOWNOFSA-N 2 0 339.549 2.337 10 0 EEAERP O[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1(O)CCC1 ZINC000929772868 1206500428 /nfs/dbraw/zinc/50/04/28/1206500428.db2.gz PCNLECPTZJRYPI-VQTJNVASSA-N 2 0 344.499 2.250 10 0 EEAERP COc1ccc2c(c1)C[C@H](C[N@@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)O2 ZINC000930060431 1206532224 /nfs/dbraw/zinc/53/22/24/1206532224.db2.gz MGZRPMJMXILLJL-DLVXIWMQSA-N 2 0 346.471 2.182 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(CCC[NH+]3CCN(c4ccccc4)CC3)C[C@]2(C)C1 ZINC000933732175 1207828807 /nfs/dbraw/zinc/82/88/07/1207828807.db2.gz LOXXQGZCLOHRHP-CTNGQTDRSA-N 2 0 342.531 2.082 10 0 EEAERP C[C@@H]1COCC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717991959 1211684821 /nfs/dbraw/zinc/68/48/21/1211684821.db2.gz BONNOJIFMNJWIA-IEBWSBKVSA-N 2 0 332.488 2.418 10 0 EEAERP CS[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@@H]1[NH+](C)C ZINC000901231710 1235424867 /nfs/dbraw/zinc/42/48/67/1235424867.db2.gz WRDCIYPATBQOQE-JKSUJKDBSA-N 2 0 346.500 2.408 10 0 EEAERP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496606 1240672047 /nfs/dbraw/zinc/67/20/47/1240672047.db2.gz VPHBWSUYDJFLRG-LVQVYYBASA-N 2 0 333.476 2.178 10 0 EEAERP C[NH2+]CCC[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000903565593 1240957896 /nfs/dbraw/zinc/95/78/96/1240957896.db2.gz NJQBMBDIMVBQDX-UHFFFAOYSA-N 2 0 333.411 2.135 10 0 EEAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755690 1241845724 /nfs/dbraw/zinc/84/57/24/1241845724.db2.gz KOEYGQNQRWZYHX-ABSDTBQOSA-N 2 0 340.471 2.269 10 0 EEAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903924917 1242518771 /nfs/dbraw/zinc/51/87/71/1242518771.db2.gz KKIDHAATTIYFQR-GOSISDBHSA-N 3 0 348.539 2.050 10 0 EEAERP Cc1ncc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)n1-c1ccccc1 ZINC000903974650 1242813057 /nfs/dbraw/zinc/81/30/57/1242813057.db2.gz VLEXZUMSGGTADZ-KRWDZBQOSA-N 2 0 340.471 2.429 10 0 EEAERP CCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cs1 ZINC001490958254 1258510267 /nfs/dbraw/zinc/51/02/67/1258510267.db2.gz STIZBJMSYGTYOY-HDJSIYSDSA-N 2 0 338.521 2.173 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC001490979974 1258532550 /nfs/dbraw/zinc/53/25/50/1258532550.db2.gz ARXIGDKBQHOHHQ-MJGOQNOKSA-N 2 0 344.503 2.235 10 0 EEAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001491024641 1258581778 /nfs/dbraw/zinc/58/17/78/1258581778.db2.gz MFBLHCSUULQNNI-AEGPPILISA-N 2 0 340.418 2.405 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001491056163 1258626066 /nfs/dbraw/zinc/62/60/66/1258626066.db2.gz UQNBNQDVZXGAQR-QSRFGDDVSA-N 2 0 331.863 2.188 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001491086353 1258651154 /nfs/dbraw/zinc/65/11/54/1258651154.db2.gz YNRMIQKQRQMYBB-KDURUIRLSA-N 2 0 344.503 2.393 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001491159404 1258735779 /nfs/dbraw/zinc/73/57/79/1258735779.db2.gz YVXHLPTUXRBLEP-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001491486774 1259136483 /nfs/dbraw/zinc/13/64/83/1259136483.db2.gz OVUFVHDYSZAFNA-RYUDHWBXSA-N 2 0 344.912 2.265 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001273457591 1278448081 /nfs/dbraw/zinc/44/80/81/1278448081.db2.gz KIJJIWXSGOXYOS-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267890723 1276772158 /nfs/dbraw/zinc/77/21/58/1276772158.db2.gz BLQKBBRXUSHBGE-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP CCNC(=O)COc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484942 1280974422 /nfs/dbraw/zinc/97/44/22/1280974422.db2.gz KTAKAGYTIQMOSG-JKSUJKDBSA-N 2 0 333.476 2.197 10 0 EEAERP CC(C)[NH+]1CCC(CCCCCNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001273807761 1286203764 /nfs/dbraw/zinc/20/37/64/1286203764.db2.gz RBCMZAQBUHGHST-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001489230498 1290480659 /nfs/dbraw/zinc/48/06/59/1290480659.db2.gz CLLXRZVIHAROAF-CIDQEFPQSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC[C@H](C)F)C2CC2)CC1 ZINC001490730922 1291637986 /nfs/dbraw/zinc/63/79/86/1291637986.db2.gz YCLMIZWCEXECJO-YOEHRIQHSA-N 2 0 327.488 2.339 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(=O)OC ZINC000852091527 1291988478 /nfs/dbraw/zinc/98/84/78/1291988478.db2.gz JOCMAKCJLGCSLC-RTBURBONSA-N 2 0 340.508 2.279 10 0 EEAERP CN1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000852885846 1292225034 /nfs/dbraw/zinc/22/50/34/1292225034.db2.gz CZJMSDMYROEOBO-FUHWJXTLSA-N 2 0 335.398 2.136 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOC(F)F)C2)ccn1 ZINC000856583969 1293571906 /nfs/dbraw/zinc/57/19/06/1293571906.db2.gz VMYCDYWIQXJPBE-HNNXBMFYSA-N 2 0 329.391 2.226 10 0 EEAERP C[C@@H](C[NH3+])NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000861642918 1295486945 /nfs/dbraw/zinc/48/69/45/1295486945.db2.gz KQYXRYKWQAUOTQ-ZANVPECISA-N 2 0 333.263 2.243 10 0 EEAERP CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863575293 1296341459 /nfs/dbraw/zinc/34/14/59/1296341459.db2.gz OKUAYQMZSFDTMN-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277147258 1301509852 /nfs/dbraw/zinc/50/98/52/1301509852.db2.gz BIULORSIGTVFFX-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001277755360 1304347329 /nfs/dbraw/zinc/34/73/29/1304347329.db2.gz HNNWVAUDSHGHJO-HUUCEWRRSA-N 2 0 345.422 2.210 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CCCF)cc1 ZINC001277940673 1305208215 /nfs/dbraw/zinc/20/82/15/1305208215.db2.gz IZGMDZGKWJNPCP-SFHVURJKSA-N 2 0 335.467 2.345 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001278262198 1308928640 /nfs/dbraw/zinc/92/86/40/1308928640.db2.gz BRIBTPHWHJHLBF-VQIMIIECSA-N 2 0 345.487 2.129 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])CC(C)C)cc(Cl)n1 ZINC000841849022 1315622698 /nfs/dbraw/zinc/62/26/98/1315622698.db2.gz MJHGUCMQWSVXKY-XJKSGUPXSA-N 2 0 326.872 2.313 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC001278722488 1317858811 /nfs/dbraw/zinc/85/88/11/1317858811.db2.gz FNZJRQMBSPBIRZ-UHFFFAOYSA-N 2 0 339.524 2.186 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CCC[NH2+]CCF ZINC001264579248 1322736988 /nfs/dbraw/zinc/73/69/88/1322736988.db2.gz PRBCREQVMCXDEE-HZPDHXFCSA-N 2 0 325.472 2.049 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001264709097 1322790194 /nfs/dbraw/zinc/79/01/94/1322790194.db2.gz FUNXCKUDSOKNNM-QAPCUYQASA-N 2 0 344.459 2.262 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001265001447 1322848441 /nfs/dbraw/zinc/84/84/41/1322848441.db2.gz XETAGICWWZXFNI-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1)C1CCC1 ZINC001265288376 1323038818 /nfs/dbraw/zinc/03/88/18/1323038818.db2.gz SSXPFWSOISOFHU-STQMWFEESA-N 2 0 348.318 2.245 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001265287878 1323039832 /nfs/dbraw/zinc/03/98/32/1323039832.db2.gz JKISLISGROXGQU-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001265311916 1323061078 /nfs/dbraw/zinc/06/10/78/1323061078.db2.gz CUBFDCZGOFYNKB-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265484867 1323178399 /nfs/dbraw/zinc/17/83/99/1323178399.db2.gz QKCHZVFWOMIHCG-KZNAEPCWSA-N 2 0 345.487 2.095 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265560232 1323220396 /nfs/dbraw/zinc/22/03/96/1323220396.db2.gz KQOQEHKKXJIPDL-ZSYWTGECSA-N 2 0 349.519 2.057 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOC(C)C ZINC001265692073 1323324274 /nfs/dbraw/zinc/32/42/74/1323324274.db2.gz YAOOJCYGRQIXKU-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001265794330 1323384112 /nfs/dbraw/zinc/38/41/12/1323384112.db2.gz LUXUYSIGDBBNMR-QGZVFWFLSA-N 2 0 345.487 2.097 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ncccc1C ZINC001265857693 1323431334 /nfs/dbraw/zinc/43/13/34/1323431334.db2.gz ITRUQXZNNCVTAU-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOC2CCCCCC2)C1)[NH+](C)C ZINC001265940359 1323503639 /nfs/dbraw/zinc/50/36/39/1323503639.db2.gz UWKRUJIIJVGMQP-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266029210 1323580525 /nfs/dbraw/zinc/58/05/25/1323580525.db2.gz MJYZVQJZZJPRSM-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001280732680 1324452780 /nfs/dbraw/zinc/45/27/80/1324452780.db2.gz DHXZAYQMJZSKJF-QZTJIDSGSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001281498978 1325175457 /nfs/dbraw/zinc/17/54/57/1325175457.db2.gz ULGUHDFEOKBXDY-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001283187383 1325948922 /nfs/dbraw/zinc/94/89/22/1325948922.db2.gz VGAFXNOLCCIQHR-MRXNPFEDSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nocc1C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283262351 1325977732 /nfs/dbraw/zinc/97/77/32/1325977732.db2.gz VZZYFXXHRLCIMM-OAHLLOKOSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)C[NH+]1CCCC1 ZINC001284652059 1326647381 /nfs/dbraw/zinc/64/73/81/1326647381.db2.gz DSWVUNFGCIMMCL-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC001284788090 1326714339 /nfs/dbraw/zinc/71/43/39/1326714339.db2.gz UPIDGEROVIADKL-UHFFFAOYSA-N 2 0 338.883 2.156 10 0 EEAERP COCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491888979 1330290669 /nfs/dbraw/zinc/29/06/69/1330290669.db2.gz MAEDYTIBIDXULV-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001491892570 1330292372 /nfs/dbraw/zinc/29/23/72/1330292372.db2.gz WAVCQOZHVOYVJI-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492175906 1331054788 /nfs/dbraw/zinc/05/47/88/1331054788.db2.gz NKJACBZZLJACKC-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP COCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001316877625 1331945823 /nfs/dbraw/zinc/94/58/23/1331945823.db2.gz SJKYQCJQNGQWOD-KDOFPFPSSA-N 2 0 344.459 2.262 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001317183208 1332119715 /nfs/dbraw/zinc/11/97/15/1332119715.db2.gz DHSHWXFHLOUQJK-RBUKOAKNSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001317334426 1332183897 /nfs/dbraw/zinc/18/38/97/1332183897.db2.gz RXWZIQVMPSLQGX-ULQDDVLXSA-N 2 0 327.488 2.295 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317341072 1332186685 /nfs/dbraw/zinc/18/66/85/1332186685.db2.gz PKJMWWJTYSMAAZ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1cccnc1 ZINC001317435341 1332238770 /nfs/dbraw/zinc/23/87/70/1332238770.db2.gz RILFVNKOUPFCEU-GOSISDBHSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317642420 1332343902 /nfs/dbraw/zinc/34/39/02/1332343902.db2.gz IBCGNJKEZYBUOA-UHFFFAOYSA-N 2 0 344.459 2.215 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC001317644972 1332345372 /nfs/dbraw/zinc/34/53/72/1332345372.db2.gz ZPYNTIYMUFCNHJ-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317653391 1332351123 /nfs/dbraw/zinc/35/11/23/1332351123.db2.gz FXAIQZDXUDVTHM-CABCVRRESA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001318794832 1332599085 /nfs/dbraw/zinc/59/90/85/1332599085.db2.gz SVKMURCICILLIH-SJLPKXTDSA-N 2 0 348.491 2.266 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001318895346 1332619122 /nfs/dbraw/zinc/61/91/22/1332619122.db2.gz FGIAZJBVROKKRV-GOSISDBHSA-N 2 0 348.491 2.267 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC(CC[NH2+]C/C=C\Cl)CC2)CC1 ZINC001318906141 1332621346 /nfs/dbraw/zinc/62/13/46/1332621346.db2.gz BTTSNGCHFWQPMK-OQFOIZHKSA-N 2 0 327.900 2.299 10 0 EEAERP C[C@H](O)CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001318996153 1332634433 /nfs/dbraw/zinc/63/44/33/1332634433.db2.gz OEZDRHXLRBUPAN-QFBILLFUSA-N 2 0 347.503 2.038 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319189066 1332662664 /nfs/dbraw/zinc/66/26/64/1332662664.db2.gz LCYLLSXGWCIBIF-KBAYOESNSA-N 2 0 347.503 2.056 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCCC1CCOCC1 ZINC001319209284 1332665541 /nfs/dbraw/zinc/66/55/41/1332665541.db2.gz OIOALEHZIGGMLP-SJLPKXTDSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001319486281 1332710110 /nfs/dbraw/zinc/71/01/10/1332710110.db2.gz MTMBDHKCFFXSLM-GOEBONIOSA-N 2 0 344.459 2.119 10 0 EEAERP C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319511557 1332714074 /nfs/dbraw/zinc/71/40/74/1332714074.db2.gz PDYDELQSDPILQN-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCCOc1ccccc1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319516598 1332715237 /nfs/dbraw/zinc/71/52/37/1332715237.db2.gz YWCVSQOQUGRDLJ-HKUYNNGSSA-N 2 0 347.503 2.376 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccccc1 ZINC001319904865 1332795220 /nfs/dbraw/zinc/79/52/20/1332795220.db2.gz LIWRHVYXXBRORW-MOPGFXCFSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1cc(NC(=O)N(C)CCC[NH+](C)C)ccc1N1CC[NH+](C)CC1 ZINC001320238058 1332851832 /nfs/dbraw/zinc/85/18/32/1332851832.db2.gz MKPBAZJXWLKLJS-UHFFFAOYSA-N 2 0 347.507 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nc(C)oc2C)CC[N@@H+]1C ZINC001320419989 1332879126 /nfs/dbraw/zinc/87/91/26/1332879126.db2.gz CUMWRHWZAPDIAO-YLQAJVPDSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001320476024 1332893240 /nfs/dbraw/zinc/89/32/40/1332893240.db2.gz LNDFNYUSYWCUOX-INIZCTEOSA-N 2 0 330.476 2.003 10 0 EEAERP CCN(CC[NH2+]C[C@H](OC)c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320769338 1332949031 /nfs/dbraw/zinc/94/90/31/1332949031.db2.gz IKLRBRYLXBDVII-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP CCN(CC[NH2+]C[C@H](OC)c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320769337 1332949343 /nfs/dbraw/zinc/94/93/43/1332949343.db2.gz IKLRBRYLXBDVII-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP CCN(CC[NH2+]Cc1cccc2cccnc21)C(=O)C[NH+]1CCCC1 ZINC001320919597 1332978870 /nfs/dbraw/zinc/97/88/70/1332978870.db2.gz BCJVCQMZBUNGOF-UHFFFAOYSA-N 2 0 340.471 2.269 10 0 EEAERP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321209412 1333045510 /nfs/dbraw/zinc/04/55/10/1333045510.db2.gz OQGTWKCZTBCLII-ANBQXBGZSA-N 2 0 337.508 2.080 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001321642773 1333137121 /nfs/dbraw/zinc/13/71/21/1333137121.db2.gz XGZVVSZBMHZOMD-UKRRQHHQSA-N 2 0 331.451 2.248 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001321813420 1333162075 /nfs/dbraw/zinc/16/20/75/1333162075.db2.gz GHNMZZSKIDDQOA-IZRVQTEUSA-N 2 0 345.487 2.287 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001322792962 1333327620 /nfs/dbraw/zinc/32/76/20/1333327620.db2.gz OPIVRPBNODKAMM-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001322852478 1333341754 /nfs/dbraw/zinc/34/17/54/1333341754.db2.gz PFKFABVALNHSTQ-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC001323531386 1333483476 /nfs/dbraw/zinc/48/34/76/1333483476.db2.gz XAYQPLGNGNTNPL-ZDUSSCGKSA-N 2 0 348.318 2.151 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCCCC(F)(F)F)CC2)C1 ZINC001323592824 1333494706 /nfs/dbraw/zinc/49/47/06/1333494706.db2.gz XIFIJHLEUJZBKH-ZDUSSCGKSA-N 2 0 335.414 2.299 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CC[NH+](C)C ZINC001324081934 1333604130 /nfs/dbraw/zinc/60/41/30/1333604130.db2.gz QMKFTYBRHRMBRE-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)CC[N@@H+]1C ZINC001326273072 1334057422 /nfs/dbraw/zinc/05/74/22/1334057422.db2.gz QCXBGESPUBNGQA-HLLBOEOZSA-N 2 0 335.517 2.417 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001326351416 1334074391 /nfs/dbraw/zinc/07/43/91/1334074391.db2.gz GBOGLHSQYOGULN-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001326897834 1334179172 /nfs/dbraw/zinc/17/91/72/1334179172.db2.gz CPOAKOUDKOEIJA-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001327172967 1334240229 /nfs/dbraw/zinc/24/02/29/1334240229.db2.gz MFALXEKDUNYLEQ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC001329155509 1334596424 /nfs/dbraw/zinc/59/64/24/1334596424.db2.gz CGAQPFWFFGVMMT-SFHVURJKSA-N 2 0 329.419 2.467 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329173951 1334600580 /nfs/dbraw/zinc/60/05/80/1334600580.db2.gz SZIAQYNKXSKGRO-QWHCGFSZSA-N 2 0 326.872 2.060 10 0 EEAERP CCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001330159538 1334788151 /nfs/dbraw/zinc/78/81/51/1334788151.db2.gz FRWRZWCYHCIKMX-MJGOQNOKSA-N 2 0 339.524 2.210 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH+](CCCCOC)CC1(C)C ZINC001330261063 1334814246 /nfs/dbraw/zinc/81/42/46/1334814246.db2.gz FJJCNFGKSZSHMF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)sc1C ZINC001330883007 1334920771 /nfs/dbraw/zinc/92/07/71/1334920771.db2.gz LOXUEDHGVGCYTJ-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001331533955 1335032998 /nfs/dbraw/zinc/03/29/98/1335032998.db2.gz MONBONYDKIIXKU-PKOBYXMFSA-N 2 0 347.503 2.213 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@@H]1C ZINC001331930476 1335679706 /nfs/dbraw/zinc/67/97/06/1335679706.db2.gz XNCSDCIXFSJHMY-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001332805567 1335910523 /nfs/dbraw/zinc/91/05/23/1335910523.db2.gz HZDVVTSTZHIILI-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]CCOC(C)C)C2)C1 ZINC001333108571 1335964136 /nfs/dbraw/zinc/96/41/36/1335964136.db2.gz TVUDZYGPBBEQDL-WWDZGPRUSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)c1 ZINC001333115824 1335965119 /nfs/dbraw/zinc/96/51/19/1335965119.db2.gz DMJUEKGNSKMNFJ-UHFFFAOYSA-N 2 0 347.503 2.213 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)C12CCC2 ZINC001335252823 1336355399 /nfs/dbraw/zinc/35/53/99/1336355399.db2.gz PZYMWQSVONIXMJ-KBPBESRZSA-N 2 0 341.377 2.295 10 0 EEAERP CO[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001480322999 1337992785 /nfs/dbraw/zinc/99/27/85/1337992785.db2.gz GRWHDLDEYVLEJW-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001433975499 1341735171 /nfs/dbraw/zinc/73/51/71/1341735171.db2.gz XPKOZNSGMQYSBQ-QFBILLFUSA-N 2 0 329.488 2.490 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001434410495 1341840641 /nfs/dbraw/zinc/84/06/41/1341840641.db2.gz FAZVVYQIVILUQC-FYQPLNBISA-N 2 0 341.499 2.498 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001436395753 1342071580 /nfs/dbraw/zinc/07/15/80/1342071580.db2.gz LARMTTCDSOGXAR-IYARVYRRSA-N 2 0 333.451 2.236 10 0 EEAERP Cc1cnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001500347433 1342175692 /nfs/dbraw/zinc/17/56/92/1342175692.db2.gz GDYBPNOKFIMSRF-LPHOPBHVSA-N 2 0 348.491 2.184 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001500392922 1342185402 /nfs/dbraw/zinc/18/54/02/1342185402.db2.gz JDMGPGALEXIKGF-AEFFLSMTSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@@]1(C[NH2+]Cc2ccc(F)cc2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500393253 1342185749 /nfs/dbraw/zinc/18/57/49/1342185749.db2.gz MRFVAPHBAPHIMC-IBGZPJMESA-N 2 0 345.462 2.250 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001566908262 1342650188 /nfs/dbraw/zinc/65/01/88/1342650188.db2.gz KDZCCOJZOZXAPR-INIZCTEOSA-N 2 0 337.533 2.461 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001566956100 1342660583 /nfs/dbraw/zinc/66/05/83/1342660583.db2.gz SRWATASVPKYCTN-MSOLQXFVSA-N 2 0 348.491 2.143 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001567172112 1342704084 /nfs/dbraw/zinc/70/40/84/1342704084.db2.gz GDFGYVOWSFKBHW-QZTJIDSGSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)CN1C(=O)CCCC[NH+](C)C ZINC001571490274 1343218567 /nfs/dbraw/zinc/21/85/67/1343218567.db2.gz BMEPNIUPOCLHPY-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001676407162 1357147129 /nfs/dbraw/zinc/14/71/29/1357147129.db2.gz OCANNRVOWXLYNA-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001676454069 1357152545 /nfs/dbraw/zinc/15/25/45/1357152545.db2.gz BUOHSZUBFHNDRP-MRXNPFEDSA-N 2 0 341.540 2.360 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001676455981 1357152709 /nfs/dbraw/zinc/15/27/09/1357152709.db2.gz YFXYPLBRDFIQQH-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001676852891 1357220624 /nfs/dbraw/zinc/22/06/24/1357220624.db2.gz FZNODQZELIMVPL-BZSNNMDCSA-N 2 0 339.499 2.439 10 0 EEAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCc2cccs2)C1)C12CC[NH+](CC1)C2 ZINC001676965277 1357250414 /nfs/dbraw/zinc/25/04/14/1357250414.db2.gz LGZMNUKGGMHPNG-JKSUJKDBSA-N 2 0 347.528 2.261 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001677033049 1357266469 /nfs/dbraw/zinc/26/64/69/1357266469.db2.gz RBUKDKFVACICGQ-GOSISDBHSA-N 2 0 347.503 2.234 10 0 EEAERP Cc1ncsc1CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001677281678 1357307127 /nfs/dbraw/zinc/30/71/27/1357307127.db2.gz MFGGJAWWNJIONK-OAHLLOKOSA-N 2 0 340.537 2.066 10 0 EEAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001629895815 1352560104 /nfs/dbraw/zinc/56/01/04/1352560104.db2.gz SMVNUPDBGDCYOK-CALCHBBNSA-N 2 0 348.491 2.137 10 0 EEAERP C[NH+](C)CCC1CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC1 ZINC001641573155 1352722672 /nfs/dbraw/zinc/72/26/72/1352722672.db2.gz URVDIFKZFAULQL-UHFFFAOYSA-N 2 0 343.512 2.191 10 0 EEAERP C[C@@H]1[C@H](COC(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC001646882960 1353024419 /nfs/dbraw/zinc/02/44/19/1353024419.db2.gz ATUXGCVHQULTBL-AEFFLSMTSA-N 2 0 348.487 2.443 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001656453995 1354239688 /nfs/dbraw/zinc/23/96/88/1354239688.db2.gz PXPCNRBLOUEHTQ-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(NCCC[N@H+](CC1CC1)C1CC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001660703517 1354520670 /nfs/dbraw/zinc/52/06/70/1354520670.db2.gz HXHGSZSNKGALII-UHFFFAOYSA-N 2 0 339.443 2.262 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661832290 1354705324 /nfs/dbraw/zinc/70/53/24/1354705324.db2.gz IEJIAAHFUYBBEY-KGLIPLIRSA-N 2 0 348.318 2.475 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001662700276 1354828347 /nfs/dbraw/zinc/82/83/47/1354828347.db2.gz BTBGISGMQMOTBO-AWEZNQCLSA-N 2 0 348.318 2.475 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001662778113 1354844359 /nfs/dbraw/zinc/84/43/59/1354844359.db2.gz CJJCQIJYIFXQRA-JKSUJKDBSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791724 1354847893 /nfs/dbraw/zinc/84/78/93/1354847893.db2.gz ROVNUKHJAJZTAC-HOTGVXAUSA-N 2 0 336.480 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCCOC)C2)C1 ZINC001662856256 1354866143 /nfs/dbraw/zinc/86/61/43/1354866143.db2.gz LXYHPGRKHBLDJH-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001663624990 1355003022 /nfs/dbraw/zinc/00/30/22/1355003022.db2.gz LDLHXUPWKLQXCU-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1 ZINC001664036876 1355079095 /nfs/dbraw/zinc/07/90/95/1355079095.db2.gz XJVPPMXEMBCAGD-OAHLLOKOSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001664187532 1355109835 /nfs/dbraw/zinc/10/98/35/1355109835.db2.gz YUYQJRAOVRTPQV-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664241049 1355120319 /nfs/dbraw/zinc/12/03/19/1355120319.db2.gz PAVDNCZVZKWWTQ-IEBWSBKVSA-N 2 0 345.487 2.130 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664241221 1355120815 /nfs/dbraw/zinc/12/08/15/1355120815.db2.gz PAVDNCZVZKWWTQ-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCCOCC)C1 ZINC001664678885 1355210220 /nfs/dbraw/zinc/21/02/20/1355210220.db2.gz RBCWKXNUXPDEPV-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001665636145 1355341812 /nfs/dbraw/zinc/34/18/12/1355341812.db2.gz DUVUBGPIXPRAMT-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001666211867 1355485399 /nfs/dbraw/zinc/48/53/99/1355485399.db2.gz UDZOBRSAOUJTNP-NVXWUHKLSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C[NH2+]CCC(C)(C)C ZINC001666573654 1355546971 /nfs/dbraw/zinc/54/69/71/1355546971.db2.gz ONTRPZBYIPMVOD-MRXNPFEDSA-N 2 0 341.540 2.123 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001667085559 1355645580 /nfs/dbraw/zinc/64/55/80/1355645580.db2.gz BCKVKZRWBSAVQZ-HZSPNIEDSA-N 2 0 337.430 2.400 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001667441438 1355743090 /nfs/dbraw/zinc/74/30/90/1355743090.db2.gz YMDFNSJFZBFFHP-CABCVRRESA-N 2 0 338.883 2.060 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668235185 1355906129 /nfs/dbraw/zinc/90/61/29/1355906129.db2.gz ZRXAPOAVXNMGNP-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(F)cn1 ZINC001668445430 1355942487 /nfs/dbraw/zinc/94/24/87/1355942487.db2.gz MZVUPKCLVGJWTJ-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001668581172 1355967222 /nfs/dbraw/zinc/96/72/22/1355967222.db2.gz DWYCBBKMYPFEAX-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001668619479 1355973785 /nfs/dbraw/zinc/97/37/85/1355973785.db2.gz LWUVBSIXKAPXAO-OAHLLOKOSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001668745097 1355996022 /nfs/dbraw/zinc/99/60/22/1355996022.db2.gz AQYXYFBZERDQNG-UEKDZROGSA-N 2 0 329.488 2.468 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001669137854 1356104462 /nfs/dbraw/zinc/10/44/62/1356104462.db2.gz FEFWWKPIIRDTFG-FUTAKVPZSA-N 2 0 327.472 2.414 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001669182854 1356118758 /nfs/dbraw/zinc/11/87/58/1356118758.db2.gz ISHJNZGGGULZEO-OOFWQKGWSA-N 2 0 329.488 2.326 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001669188863 1356120358 /nfs/dbraw/zinc/12/03/58/1356120358.db2.gz JKFYWFVDRCTYDH-NVFZZLLCSA-N 2 0 337.414 2.240 10 0 EEAERP C[C@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001669293468 1356141213 /nfs/dbraw/zinc/14/12/13/1356141213.db2.gz NXVLUQXOOFXTDA-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001671530384 1356357156 /nfs/dbraw/zinc/35/71/56/1356357156.db2.gz LUNRTQBUNUOCLE-ZPDKFOGYSA-N 2 0 339.911 2.345 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671548467 1356360137 /nfs/dbraw/zinc/36/01/37/1356360137.db2.gz MFYKCTITQFDCJR-IAGOWNOFSA-N 2 0 327.488 2.343 10 0 EEAERP CCc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001672176633 1356474411 /nfs/dbraw/zinc/47/44/11/1356474411.db2.gz LVJDIBJUCFSNLW-QZTJIDSGSA-N 2 0 335.467 2.450 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001672816761 1356591558 /nfs/dbraw/zinc/59/15/58/1356591558.db2.gz WLKBJFLXSWYCCP-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001675801370 1357050599 /nfs/dbraw/zinc/05/05/99/1357050599.db2.gz AHHDEEPYUYJBAV-HDJSIYSDSA-N 2 0 335.414 2.155 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001692115381 1404975887 /nfs/dbraw/zinc/97/58/87/1404975887.db2.gz JCJMGWKRLATZOU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001698738304 1405038293 /nfs/dbraw/zinc/03/82/93/1405038293.db2.gz OLEWPSJKGMYNGM-APWZRJJASA-N 2 0 331.504 2.364 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001698748293 1405042184 /nfs/dbraw/zinc/04/21/84/1405042184.db2.gz LETMYCCEEMSBSQ-MBOZVWFJSA-N 2 0 345.531 2.474 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001698896908 1405137333 /nfs/dbraw/zinc/13/73/33/1405137333.db2.gz CPBDYDCXQVFGHX-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001698917166 1405160029 /nfs/dbraw/zinc/16/00/29/1405160029.db2.gz HEONBOFIRWCJDK-ZBFHGGJFSA-N 2 0 338.521 2.344 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001699856384 1405530671 /nfs/dbraw/zinc/53/06/71/1405530671.db2.gz MFZUWFDOSAWFIC-CTNGQTDRSA-N 2 0 343.515 2.399 10 0 EEAERP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925475275 770471546 /nfs/dbraw/zinc/47/15/46/770471546.db2.gz LESPDBKBPYMMNN-HZPDHXFCSA-N 2 0 333.476 2.149 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000921175575 770987097 /nfs/dbraw/zinc/98/70/97/770987097.db2.gz ZORFBBMFYODMSL-UHOFOFEASA-N 2 0 338.883 2.335 10 0 EEAERP C[NH+](C)C1(C(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)CC1 ZINC000913085217 788616430 /nfs/dbraw/zinc/61/64/30/788616430.db2.gz NZWIBVGRRUUTLV-WOJBJXKFSA-N 2 0 341.499 2.451 10 0 EEAERP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000913398124 788838736 /nfs/dbraw/zinc/83/87/36/788838736.db2.gz DXCNFPDIZSXRJY-GOSISDBHSA-N 2 0 344.503 2.236 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000923363963 789439839 /nfs/dbraw/zinc/43/98/39/789439839.db2.gz GVEOMEONGNPUMR-HLIPFELVSA-N 2 0 348.487 2.289 10 0 EEAERP COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923442000 789568741 /nfs/dbraw/zinc/56/87/41/789568741.db2.gz ONVQKLGJJZJOTQ-OAHLLOKOSA-N 2 0 331.460 2.488 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NC1CCCCCCC1)CC2 ZINC000923459045 789579077 /nfs/dbraw/zinc/57/90/77/789579077.db2.gz YPJKCAGPXKUMDR-KRWDZBQOSA-N 2 0 337.508 2.045 10 0 EEAERP C[C@@H]1C[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923496282 789653694 /nfs/dbraw/zinc/65/36/94/789653694.db2.gz ARMVDTHIEQORSW-AYBZRNKSSA-N 2 0 329.488 2.487 10 0 EEAERP Cc1cc(NC(=O)CC[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)no1 ZINC000923504540 789688293 /nfs/dbraw/zinc/68/82/93/789688293.db2.gz ZRHNBLBIILSRQW-HNNXBMFYSA-N 2 0 334.464 2.413 10 0 EEAERP CN1C[C@@H](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000922486142 801152824 /nfs/dbraw/zinc/15/28/24/801152824.db2.gz OYUXBEQTMVCZFG-SFHVURJKSA-N 2 0 345.487 2.119 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566069214 1125542198 /nfs/dbraw/zinc/54/21/98/1125542198.db2.gz SZZOWBQVJDRHIE-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)c1cccc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001566481490 1125643591 /nfs/dbraw/zinc/64/35/91/1125643591.db2.gz DZNCAGQKYVNDTA-GOSISDBHSA-N 2 0 332.492 2.237 10 0 EEAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001436424073 1087788204 /nfs/dbraw/zinc/78/82/04/1087788204.db2.gz NIRAUZXHDSPDLL-BHIYHBOVSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001436479368 1087958698 /nfs/dbraw/zinc/95/86/98/1087958698.db2.gz BXJQLWMWLSMBQE-KFWWJZLASA-N 2 0 331.451 2.343 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001436676484 1088126278 /nfs/dbraw/zinc/12/62/78/1088126278.db2.gz ZFYHPCFNFIJHLP-UHFFFAOYSA-N 2 0 345.487 2.091 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001436791961 1088354322 /nfs/dbraw/zinc/35/43/22/1088354322.db2.gz AFPAKNNHBSUYOX-HOCLYGCPSA-N 2 0 325.472 2.095 10 0 EEAERP CC(C)C[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436804288 1088383683 /nfs/dbraw/zinc/38/36/83/1088383683.db2.gz CVIQGKSJHHPBQO-QAPCUYQASA-N 2 0 327.488 2.339 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001436806988 1088388895 /nfs/dbraw/zinc/38/88/95/1088388895.db2.gz MLHSJQWXDJIVCS-KXBFYZLASA-N 2 0 347.478 2.460 10 0 EEAERP Cc1oncc1C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001436901955 1088556193 /nfs/dbraw/zinc/55/61/93/1088556193.db2.gz JVAJWSAIUOHLNB-WKILWMFISA-N 2 0 348.491 2.373 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001436958155 1088647807 /nfs/dbraw/zinc/64/78/07/1088647807.db2.gz HESDMAPKLIYGBM-BETUJISGSA-N 2 0 346.302 2.418 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001437047481 1088929637 /nfs/dbraw/zinc/92/96/37/1088929637.db2.gz BREXXJFTBIQKSI-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21 ZINC001437083245 1089024580 /nfs/dbraw/zinc/02/45/80/1089024580.db2.gz XWPXGLLYJDKCNU-RZKQDYJMSA-N 2 0 345.531 2.345 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437161722 1089170857 /nfs/dbraw/zinc/17/08/57/1089170857.db2.gz HBXHJNYIQDDOFA-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001437407926 1089686911 /nfs/dbraw/zinc/68/69/11/1089686911.db2.gz FCFGKLDBXWXGPO-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CCc1ccc(CC[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001437417624 1089699205 /nfs/dbraw/zinc/69/92/05/1089699205.db2.gz JMNFVQNKKBJJMZ-QGZVFWFLSA-N 2 0 343.515 2.372 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001437671351 1090199057 /nfs/dbraw/zinc/19/90/57/1090199057.db2.gz JUFCWBRZCIVSGV-CABCVRRESA-N 2 0 343.462 2.344 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001437723253 1090276641 /nfs/dbraw/zinc/27/66/41/1090276641.db2.gz DPJJKZQRTPLYTA-ICSRJNTNSA-N 2 0 343.515 2.317 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437947730 1090543512 /nfs/dbraw/zinc/54/35/12/1090543512.db2.gz UNTRPABCZRQYIO-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cc(C)no1 ZINC001438320207 1090796071 /nfs/dbraw/zinc/79/60/71/1090796071.db2.gz CVFXAZBRKDSHLT-NVXWUHKLSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001438469591 1090975481 /nfs/dbraw/zinc/97/54/81/1090975481.db2.gz NYXPRKFMFVENHK-MRXNPFEDSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1coc(C2CC2)n1 ZINC001438478485 1090982842 /nfs/dbraw/zinc/98/28/42/1090982842.db2.gz FTMUIGTXBQBNPK-PBHICJAKSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CC2(CCC2)C1 ZINC001438489323 1090989861 /nfs/dbraw/zinc/98/98/61/1090989861.db2.gz KAEHYPMKUWLTNK-MAUKXSAKSA-N 2 0 333.520 2.250 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cnc(C)s2)CC[N@@H+]1C ZINC001438647615 1091131964 /nfs/dbraw/zinc/13/19/64/1091131964.db2.gz CEROLKHNAOBKQL-UHOFOFEASA-N 2 0 338.521 2.118 10 0 EEAERP C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438868098 1091506345 /nfs/dbraw/zinc/50/63/45/1091506345.db2.gz YPMVRRNBQUXOPN-GOPMFQSKSA-N 2 0 336.307 2.474 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(F)c(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001438939660 1091624933 /nfs/dbraw/zinc/62/49/33/1091624933.db2.gz VPDIJTGFLGTMAX-UHFFFAOYSA-N 2 0 341.858 2.465 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC[C@H]1CCOC1 ZINC001438939746 1091625055 /nfs/dbraw/zinc/62/50/55/1091625055.db2.gz UVYJVKIUSRMFFC-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445858530 1091777273 /nfs/dbraw/zinc/77/72/73/1091777273.db2.gz WNGXYSCIWUWOHF-INIZCTEOSA-N 2 0 347.478 2.291 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001439148072 1091790130 /nfs/dbraw/zinc/79/01/30/1091790130.db2.gz JRLGSEGVWKUSEQ-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439154977 1091796841 /nfs/dbraw/zinc/79/68/41/1091796841.db2.gz QIIZWCLWPSZYBF-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)n1 ZINC001439367219 1092096077 /nfs/dbraw/zinc/09/60/77/1092096077.db2.gz OVSNLHNPVXDGSG-IRXDYDNUSA-N 2 0 346.519 2.483 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C2CC2)c1 ZINC001439462898 1092244009 /nfs/dbraw/zinc/24/40/09/1092244009.db2.gz SCVPGCDEZSCPGD-RBUKOAKNSA-N 2 0 344.503 2.247 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001446246338 1092365374 /nfs/dbraw/zinc/36/53/74/1092365374.db2.gz AECOAQZSIQQUJP-KDOFPFPSSA-N 2 0 345.462 2.393 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001439562450 1092439515 /nfs/dbraw/zinc/43/95/15/1092439515.db2.gz RKIUEGMBSWRCLH-HOTGVXAUSA-N 2 0 343.462 2.344 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001446295533 1092459596 /nfs/dbraw/zinc/45/95/96/1092459596.db2.gz RBLMWHGABFRWJO-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cc1F ZINC001439603229 1092505628 /nfs/dbraw/zinc/50/56/28/1092505628.db2.gz FJHXVVRFAZSPPJ-QGZVFWFLSA-N 2 0 345.462 2.214 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001439767156 1092726236 /nfs/dbraw/zinc/72/62/36/1092726236.db2.gz NCWAQYYJAFDCRQ-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C3CCC3)C2)c(C)n1 ZINC001439852935 1092870483 /nfs/dbraw/zinc/87/04/83/1092870483.db2.gz GFALGUIHFZIGHT-HXUWFJFHSA-N 2 0 344.503 2.263 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(F)c2)C1 ZINC001439893759 1092952901 /nfs/dbraw/zinc/95/29/01/1092952901.db2.gz YFVGXUVVTQCLJZ-PKOBYXMFSA-N 2 0 333.451 2.248 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001439908725 1092976195 /nfs/dbraw/zinc/97/61/95/1092976195.db2.gz ZTKVQSWBJGRRMF-HMPIOBDVSA-N 2 0 348.318 2.475 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC3CC3)CCC2(F)F)CC1 ZINC001439967441 1093081325 /nfs/dbraw/zinc/08/13/25/1093081325.db2.gz GSLNZRVWNSNTLZ-MRXNPFEDSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001439979656 1093100406 /nfs/dbraw/zinc/10/04/06/1093100406.db2.gz ZWXYAQWCZDZOLT-INIZCTEOSA-N 2 0 345.478 2.448 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001440113232 1093174271 /nfs/dbraw/zinc/17/42/71/1093174271.db2.gz DDOAWWLJIVYLGJ-SJLPKXTDSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001440197189 1093267250 /nfs/dbraw/zinc/26/72/50/1093267250.db2.gz WTWDIXIKDIIQDE-KZNAEPCWSA-N 2 0 339.524 2.063 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001440272545 1093387437 /nfs/dbraw/zinc/38/74/37/1093387437.db2.gz ABSCXXNXUMZPNI-BWEQXZIWSA-N 2 0 346.302 2.132 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)c3ncc(C)o3)C[C@H]21 ZINC001448454177 1093462108 /nfs/dbraw/zinc/46/21/08/1093462108.db2.gz DQPFGEIEDSQUSR-VQHPVUNQSA-N 2 0 348.491 2.070 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC001440405710 1093595637 /nfs/dbraw/zinc/59/56/37/1093595637.db2.gz SPRKOOGLPFDUBL-JZXOWHBKSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc2ocnc2C)C2CC2)CC[N@@H+]1C ZINC001448580793 1093633786 /nfs/dbraw/zinc/63/37/86/1093633786.db2.gz JHRPMLWVBCADSE-BBWFWOEESA-N 2 0 348.491 2.040 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)s1 ZINC001448601014 1093664411 /nfs/dbraw/zinc/66/44/11/1093664411.db2.gz HNCKTYPDRLAOIN-MRXNPFEDSA-N 2 0 338.521 2.118 10 0 EEAERP COC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001440480161 1093711605 /nfs/dbraw/zinc/71/16/05/1093711605.db2.gz YXBAGZVRJKSCTI-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001440495893 1093736027 /nfs/dbraw/zinc/73/60/27/1093736027.db2.gz KOYGPIMGWWSYCX-QAPCUYQASA-N 2 0 333.476 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001440537643 1093802451 /nfs/dbraw/zinc/80/24/51/1093802451.db2.gz KWIXRNJVCVUZFD-HXUWFJFHSA-N 2 0 329.488 2.453 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001448787213 1093865901 /nfs/dbraw/zinc/86/59/01/1093865901.db2.gz PKOKKAQPVDICMD-GXTWGEPZSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001440649409 1093920438 /nfs/dbraw/zinc/92/04/38/1093920438.db2.gz OLWAKKKHFOEYBS-CRAIPNDOSA-N 2 0 349.523 2.193 10 0 EEAERP CC[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C(C)C)OC ZINC001440718620 1093960542 /nfs/dbraw/zinc/96/05/42/1093960542.db2.gz DILWGAYKQZRGMZ-ILZDJORESA-N 2 0 347.503 2.123 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001440728682 1093973392 /nfs/dbraw/zinc/97/33/92/1093973392.db2.gz CAXUTPBQCIGGRN-OALUTQOASA-N 2 0 329.488 2.104 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]Cc2cccnc2)cc1F ZINC001449419104 1094404891 /nfs/dbraw/zinc/40/48/91/1094404891.db2.gz UVBYTPWCMPHVPG-UHFFFAOYSA-N 2 0 344.434 2.078 10 0 EEAERP Cc1ccncc1C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441164603 1094513983 /nfs/dbraw/zinc/51/39/83/1094513983.db2.gz HUVVETKDXOVCSF-INIZCTEOSA-N 2 0 344.503 2.201 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001441194249 1094552221 /nfs/dbraw/zinc/55/22/21/1094552221.db2.gz IRXLUNITSAQSMY-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001441410020 1094988885 /nfs/dbraw/zinc/98/88/85/1094988885.db2.gz IIDVIHVZEDRGDY-CVEARBPZSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)o1 ZINC001441552646 1095284797 /nfs/dbraw/zinc/28/47/97/1095284797.db2.gz VRSMHJQLJVPDAA-JZXOWHBKSA-N 2 0 348.491 2.149 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441827572 1095877085 /nfs/dbraw/zinc/87/70/85/1095877085.db2.gz AJEVOHHICAZZAP-UKRRQHHQSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001441837356 1095905990 /nfs/dbraw/zinc/90/59/90/1095905990.db2.gz PBCZJKFRRZDISC-MAUKXSAKSA-N 2 0 332.492 2.118 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[C@@H](Cc2ccccc2)[NH2+]CCF)CC[N@@H+]1C ZINC001441894441 1096036690 /nfs/dbraw/zinc/03/66/90/1096036690.db2.gz IROHBZTYWLERHG-BPQIPLTHSA-N 2 0 335.467 2.003 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001441933842 1096124852 /nfs/dbraw/zinc/12/48/52/1096124852.db2.gz ZPXXZAQGERWBOT-ZDUSSCGKSA-N 2 0 336.480 2.014 10 0 EEAERP COc1ccc(C[N@H+](C)CCN(C(=O)[C@H]2CCC[NH+]2C)C(C)C)cc1 ZINC001442102978 1096325607 /nfs/dbraw/zinc/32/56/07/1096325607.db2.gz QTVWKQJRXVRMGF-LJQANCHMSA-N 2 0 347.503 2.458 10 0 EEAERP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001442257211 1096559678 /nfs/dbraw/zinc/55/96/78/1096559678.db2.gz WLGPOJBKCWMHJR-UHFFFAOYSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001442280515 1096592345 /nfs/dbraw/zinc/59/23/45/1096592345.db2.gz RSHRIJZYCRWHEO-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CO[C@H](C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001442533682 1096892916 /nfs/dbraw/zinc/89/29/16/1096892916.db2.gz BEVVXRPQYVLIJI-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2cccc(F)c2)C1 ZINC001442826830 1097216708 /nfs/dbraw/zinc/21/67/08/1097216708.db2.gz XOLWPGTZZNKNOM-CRAIPNDOSA-N 2 0 333.451 2.248 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001443080192 1097494294 /nfs/dbraw/zinc/49/42/94/1097494294.db2.gz POBNFWXEADIRNA-OAHLLOKOSA-N 2 0 333.476 2.146 10 0 EEAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001443174952 1097611409 /nfs/dbraw/zinc/61/14/09/1097611409.db2.gz GQKICHDEHIACRP-HOTGVXAUSA-N 2 0 343.462 2.439 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001443269997 1097752328 /nfs/dbraw/zinc/75/23/28/1097752328.db2.gz VOABNHZHCZVJFT-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001443852726 1098372209 /nfs/dbraw/zinc/37/22/09/1098372209.db2.gz HDRAVBKMFUBOMO-IBGZPJMESA-N 2 0 331.504 2.412 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(CO)cc1 ZINC001443916357 1098438324 /nfs/dbraw/zinc/43/83/24/1098438324.db2.gz LGPOAYTUHBMATK-RBUKOAKNSA-N 2 0 347.503 2.036 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc(C)c(C)s1 ZINC001443917269 1098438537 /nfs/dbraw/zinc/43/85/37/1098438537.db2.gz MSVITQXHWQAFMR-BPLDGKMQSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001443980348 1098497125 /nfs/dbraw/zinc/49/71/25/1098497125.db2.gz IJWFGMXVMHTEIF-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001444039256 1098560568 /nfs/dbraw/zinc/56/05/68/1098560568.db2.gz OIMDNPYVWNLAMM-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1OCC ZINC001479532674 1098598426 /nfs/dbraw/zinc/59/84/26/1098598426.db2.gz HPMHQNQNFYFDFS-KZNAEPCWSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001444170602 1098720957 /nfs/dbraw/zinc/72/09/57/1098720957.db2.gz AEAUYDJVIIIKGG-SHTZXODSSA-N 2 0 338.521 2.392 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001479691745 1098756575 /nfs/dbraw/zinc/75/65/75/1098756575.db2.gz LDSAMLXMNUBZIK-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001444312907 1098872468 /nfs/dbraw/zinc/87/24/68/1098872468.db2.gz XWAOQRNVSWDROW-CQSZACIVSA-N 2 0 336.480 2.089 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2cnc(C)o2)C1 ZINC001479791453 1098997090 /nfs/dbraw/zinc/99/70/90/1098997090.db2.gz MUNGBGYHEHOCKL-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001479830213 1099110884 /nfs/dbraw/zinc/11/08/84/1099110884.db2.gz PIWYJISSAVNTAH-YOEHRIQHSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C[C@H]1CCOC1 ZINC001479855647 1099156968 /nfs/dbraw/zinc/15/69/68/1099156968.db2.gz CCVITVVSRRXSPX-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](Cc1cccnc1)C1CC1 ZINC001479880968 1099251201 /nfs/dbraw/zinc/25/12/01/1099251201.db2.gz NOFFXWBMBUNULO-CALCHBBNSA-N 2 0 344.503 2.425 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001480030921 1099520387 /nfs/dbraw/zinc/52/03/87/1099520387.db2.gz NEGOUHYRYSDUCQ-ZWKOTPCHSA-N 2 0 349.519 2.058 10 0 EEAERP C[C@H](C[NH2+]Cc1cccnc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001444695423 1099548243 /nfs/dbraw/zinc/54/82/43/1099548243.db2.gz YALVTNIAOLRZHD-SJORKVTESA-N 2 0 332.492 2.283 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001444723700 1099594389 /nfs/dbraw/zinc/59/43/89/1099594389.db2.gz QCYBDVQQSXWEHY-AWEZNQCLSA-N 2 0 338.496 2.383 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCF)C1 ZINC001480078664 1099622544 /nfs/dbraw/zinc/62/25/44/1099622544.db2.gz VVZCXALOWRIPPD-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444765151 1099659727 /nfs/dbraw/zinc/65/97/27/1099659727.db2.gz XGTVLKARYYQFBP-YTQUADARSA-N 2 0 346.519 2.432 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)c(C)n1 ZINC001444832382 1099781487 /nfs/dbraw/zinc/78/14/87/1099781487.db2.gz XWPLQSOABBDHKU-HNAYVOBHSA-N 2 0 346.519 2.367 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](Cc3cccnc3)CC[C@H]21 ZINC001480188935 1099785550 /nfs/dbraw/zinc/78/55/50/1099785550.db2.gz JHHXSVVMRNVSEI-RTBURBONSA-N 2 0 344.503 2.236 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001480219672 1099836988 /nfs/dbraw/zinc/83/69/88/1099836988.db2.gz CSQZHWNHXDETPE-BETUJISGSA-N 2 0 327.831 2.168 10 0 EEAERP Cc1cncc(C[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)c1 ZINC001444887735 1099922104 /nfs/dbraw/zinc/92/21/04/1099922104.db2.gz FKMDLAWZDCVWHT-YTQUADARSA-N 2 0 346.519 2.351 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480292722 1100005722 /nfs/dbraw/zinc/00/57/22/1100005722.db2.gz VOIBVZPIGKWSIQ-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C)c(C)o1 ZINC001444926793 1100023534 /nfs/dbraw/zinc/02/35/34/1100023534.db2.gz ZJMXAKIJEKHEAY-RDJZCZTQSA-N 2 0 338.496 2.108 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001444941905 1100055582 /nfs/dbraw/zinc/05/55/82/1100055582.db2.gz YFPJRRPSYVCYOH-RTBURBONSA-N 2 0 331.504 2.301 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CCOCC1CCC1 ZINC001480331112 1100087350 /nfs/dbraw/zinc/08/73/50/1100087350.db2.gz RAOFZABBLRXJJR-QGZVFWFLSA-N 2 0 348.491 2.048 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)cc2)C1 ZINC001480521916 1100351291 /nfs/dbraw/zinc/35/12/91/1100351291.db2.gz LYEWXFFKDWLMNM-SJLPKXTDSA-N 2 0 347.503 2.412 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC[C@@H]1CCCCO1 ZINC001480537246 1100367298 /nfs/dbraw/zinc/36/72/98/1100367298.db2.gz NBVHOYRDJBAYHX-CVEARBPZSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001496207166 1100749051 /nfs/dbraw/zinc/74/90/51/1100749051.db2.gz NYHKMSUJTSCTAR-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496261911 1100833447 /nfs/dbraw/zinc/83/34/47/1100833447.db2.gz OUKDDMFZAJEWHN-RDJZCZTQSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC001495210947 1100893766 /nfs/dbraw/zinc/89/37/66/1100893766.db2.gz KEZTXKQGFWVYGO-CALCHBBNSA-N 2 0 344.503 2.473 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCCC1 ZINC001496319050 1100912635 /nfs/dbraw/zinc/91/26/35/1100912635.db2.gz XKENXHUWBLEKDH-KETLTQCKSA-N 2 0 327.900 2.488 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@@H]1CCCOC1)C1CCCCC1 ZINC001496321208 1100914628 /nfs/dbraw/zinc/91/46/28/1100914628.db2.gz UEBXJPYWBNOFKF-WMZOPIPTSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CNCc1cscn1)C1CCCC1 ZINC001446497868 1100944471 /nfs/dbraw/zinc/94/44/71/1100944471.db2.gz OAPMOXDOONXGSB-CVEARBPZSA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001496376214 1100969088 /nfs/dbraw/zinc/96/90/88/1100969088.db2.gz PLYOJVGAVDYMRN-PKOBYXMFSA-N 2 0 331.504 2.396 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001496414348 1101006976 /nfs/dbraw/zinc/00/69/76/1101006976.db2.gz LOFPQKVGIQSWHD-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001496432748 1101025023 /nfs/dbraw/zinc/02/50/23/1101025023.db2.gz ZMTHXTSMTPUSPB-SFHVURJKSA-N 2 0 348.466 2.177 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001446567389 1101052249 /nfs/dbraw/zinc/05/22/49/1101052249.db2.gz GNAQKJHBAQBKDP-AZUAARDMSA-N 2 0 329.488 2.417 10 0 EEAERP COCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001496488865 1101080033 /nfs/dbraw/zinc/08/00/33/1101080033.db2.gz CPEZCYXADBEFAU-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001495415859 1101135557 /nfs/dbraw/zinc/13/55/57/1101135557.db2.gz NATGCHQSYICTLV-WASGNCILSA-N 2 0 336.867 2.484 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](Cc2cnc(C)o2)CC1 ZINC001446644510 1101159486 /nfs/dbraw/zinc/15/94/86/1101159486.db2.gz GLARMNQZZJZRNL-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C[C@@H]1CCOC1 ZINC001496561371 1101162646 /nfs/dbraw/zinc/16/26/46/1101162646.db2.gz JVPQXTPCDJFLQU-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CC[C@@H](C)F)CCC1(F)F ZINC001446731218 1101311767 /nfs/dbraw/zinc/31/17/67/1101311767.db2.gz ZFQHUJAABNMKJH-KGLIPLIRSA-N 2 0 337.430 2.150 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCc1cccc(F)c1 ZINC001495785982 1101596739 /nfs/dbraw/zinc/59/67/39/1101596739.db2.gz OMHAKKTUHAXHIV-MRXNPFEDSA-N 2 0 347.478 2.196 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001446974665 1101686034 /nfs/dbraw/zinc/68/60/34/1101686034.db2.gz RHJNIONHXRAAMN-HKUYNNGSSA-N 2 0 331.504 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001496905444 1101699032 /nfs/dbraw/zinc/69/90/32/1101699032.db2.gz QBICRLZWYIYZEJ-GUYCJALGSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001497273818 1102235192 /nfs/dbraw/zinc/23/51/92/1102235192.db2.gz AHKKAXSIPQJMLF-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)o1 ZINC001497329561 1102333303 /nfs/dbraw/zinc/33/33/03/1102333303.db2.gz CLQLTZNUONTXGG-GDBMZVCRSA-N 2 0 336.480 2.096 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497384086 1102413769 /nfs/dbraw/zinc/41/37/69/1102413769.db2.gz SCDIZEJOSJSENI-IBGZPJMESA-N 2 0 329.488 2.275 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001447371059 1102543848 /nfs/dbraw/zinc/54/38/48/1102543848.db2.gz OGQGKBCFSGYBKF-IEBWSBKVSA-N 2 0 346.519 2.482 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1F ZINC001497550263 1102653985 /nfs/dbraw/zinc/65/39/85/1102653985.db2.gz YHQRWANIDMZXNV-WOMSROEHSA-N 2 0 339.842 2.335 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC001497585593 1102703466 /nfs/dbraw/zinc/70/34/66/1102703466.db2.gz KPCSGHWRZNIZJC-XQJUWPJRSA-N 2 0 333.451 2.236 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001497660431 1102845032 /nfs/dbraw/zinc/84/50/32/1102845032.db2.gz IKFHEGSKPQPJBA-JXCVUKRWSA-N 2 0 333.451 2.417 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001447697384 1103129058 /nfs/dbraw/zinc/12/90/58/1103129058.db2.gz RVDCORSZTWDXRZ-ZDUSSCGKSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497875495 1103239838 /nfs/dbraw/zinc/23/98/38/1103239838.db2.gz BTBBYVOSCWFWCM-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001494022643 1103370729 /nfs/dbraw/zinc/37/07/29/1103370729.db2.gz YPAYAOQMGQEXLQ-MGPQQGTHSA-N 2 0 348.318 2.474 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCC(F)(F)F ZINC001447870398 1103481807 /nfs/dbraw/zinc/48/18/07/1103481807.db2.gz AFFHWOAKTQIEND-QWHCGFSZSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)s1 ZINC001447899349 1103549976 /nfs/dbraw/zinc/54/99/76/1103549976.db2.gz PCTHKTJVIIRAHY-KGLIPLIRSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001447908177 1103569156 /nfs/dbraw/zinc/56/91/56/1103569156.db2.gz SMTRSXAMWDEIFU-NEPJUHHUSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001448045479 1103887487 /nfs/dbraw/zinc/88/74/87/1103887487.db2.gz QNYOZAYDUPOONQ-INIZCTEOSA-N 2 0 346.519 2.173 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001497983952 1106737755 /nfs/dbraw/zinc/73/77/55/1106737755.db2.gz SZMNPDXJWBZXNL-KOEAPFFJSA-N 2 0 345.487 2.145 10 0 EEAERP C[C@@H](C[NH2+]Cc1nsc2ccccc12)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498160205 1107003789 /nfs/dbraw/zinc/00/37/89/1107003789.db2.gz OHUUPNZTQUEEBI-UONOGXRCSA-N 2 0 346.500 2.232 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001480765770 1107070669 /nfs/dbraw/zinc/07/06/69/1107070669.db2.gz ULLQANVCZDFUBG-BPQIPLTHSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001480808500 1107155894 /nfs/dbraw/zinc/15/58/94/1107155894.db2.gz KTWWPIVVLZUQFP-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2ncc[nH]2)s1 ZINC001480831387 1107222977 /nfs/dbraw/zinc/22/29/77/1107222977.db2.gz BTKAFBYDNTVYRJ-CQSZACIVSA-N 2 0 347.488 2.278 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c1C ZINC001498380779 1107423842 /nfs/dbraw/zinc/42/38/42/1107423842.db2.gz KEQCHQPDZLBSDS-HZPDHXFCSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccccc1F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001498381013 1107424339 /nfs/dbraw/zinc/42/43/39/1107424339.db2.gz LZDSZIMBPLPYLY-JKSUJKDBSA-N 2 0 335.467 2.147 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001493129195 1107557970 /nfs/dbraw/zinc/55/79/70/1107557970.db2.gz QPIXYNDDJVQZIO-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001498611855 1107806939 /nfs/dbraw/zinc/80/69/39/1107806939.db2.gz CFIXXACGJJWAKG-WGLAMXGCSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1ncc(C[N@@H+]2CC[C@H](CNC(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001493267762 1107815175 /nfs/dbraw/zinc/81/51/75/1107815175.db2.gz BFMKJJIIEFKAPY-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP O=C(NCC[N@H+](Cc1ccccc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001493372841 1108010733 /nfs/dbraw/zinc/01/07/33/1108010733.db2.gz RCXJBAHPMAGNEP-LJQANCHMSA-N 2 0 327.472 2.109 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1F)C1CC1 ZINC001498871848 1108253653 /nfs/dbraw/zinc/25/36/53/1108253653.db2.gz DCMGZBPNNUJREK-QGZVFWFLSA-N 2 0 339.430 2.289 10 0 EEAERP CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCCCF ZINC001498901727 1108300468 /nfs/dbraw/zinc/30/04/68/1108300468.db2.gz HLKRHLLOAPTNQF-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001493574930 1108341072 /nfs/dbraw/zinc/34/10/72/1108341072.db2.gz OFUWOVCUJWWANT-LJQANCHMSA-N 2 0 344.503 2.345 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001498987511 1108419180 /nfs/dbraw/zinc/41/91/80/1108419180.db2.gz XSMDUFMZOJMQON-IAGOWNOFSA-N 2 0 339.499 2.437 10 0 EEAERP Cc1ccc2sc(C[NH2+]CCN(C)C(=O)[C@@H]3CC[N@H+](C)C3)nc2c1 ZINC001493794545 1108673732 /nfs/dbraw/zinc/67/37/32/1108673732.db2.gz XGODKHGFEVMSLP-CQSZACIVSA-N 2 0 346.500 2.104 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001466254446 1110432300 /nfs/dbraw/zinc/43/23/00/1110432300.db2.gz UEFIPPNEJUMDBA-WBVHZDCISA-N 2 0 348.466 2.157 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001499183815 1112166822 /nfs/dbraw/zinc/16/68/22/1112166822.db2.gz JVOGZIRENRIRHR-SFHVURJKSA-N 2 0 345.487 2.015 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cncs3)CC2)C1 ZINC001499324321 1112233117 /nfs/dbraw/zinc/23/31/17/1112233117.db2.gz HMDRKAMVXYOWMC-AWEZNQCLSA-N 2 0 336.505 2.004 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001499905537 1112536015 /nfs/dbraw/zinc/53/60/15/1112536015.db2.gz RTIQRQHGIVMRNN-HKUYNNGSSA-N 2 0 347.478 2.433 10 0 EEAERP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001499915545 1112539346 /nfs/dbraw/zinc/53/93/46/1112539346.db2.gz DGEADQKIMMBRLR-CYBMUJFWSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001500401895 1112804575 /nfs/dbraw/zinc/80/45/75/1112804575.db2.gz KKAXFWJPABDMQD-APWZRJJASA-N 2 0 333.451 2.106 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001501013386 1113166842 /nfs/dbraw/zinc/16/68/42/1113166842.db2.gz OUBXGZMROVRYKQ-ULQDDVLXSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCO)cc1 ZINC001501676138 1113428756 /nfs/dbraw/zinc/42/87/56/1113428756.db2.gz GYVMWQUJRIXIJI-LPHOPBHVSA-N 2 0 347.503 2.209 10 0 EEAERP CCCCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001501884201 1113510298 /nfs/dbraw/zinc/51/02/98/1113510298.db2.gz FBQLOGDXLYGTQP-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CCC[N@H+](C)CCCCC(F)(F)F)C(=O)[C@H]1CC[NH+](C)C1 ZINC001502397087 1113665122 /nfs/dbraw/zinc/66/51/22/1113665122.db2.gz PXKKKDQWJOEAEV-AWEZNQCLSA-N 2 0 337.430 2.451 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(CO)CC[NH+](CCCC(C)(C)C)CC1 ZINC001505392802 1113930621 /nfs/dbraw/zinc/93/06/21/1113930621.db2.gz HZGQDWBIUBYIEL-UHFFFAOYSA-N 2 0 341.540 2.096 10 0 EEAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001505453112 1113986726 /nfs/dbraw/zinc/98/67/26/1113986726.db2.gz UZCHEACDUZLYBX-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001505677322 1114125679 /nfs/dbraw/zinc/12/56/79/1114125679.db2.gz GVBRWYULTFPGID-VXGBXAGGSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)cn1 ZINC001505850435 1114233066 /nfs/dbraw/zinc/23/30/66/1114233066.db2.gz WDSXOXMYEVADRD-INIZCTEOSA-N 2 0 349.523 2.260 10 0 EEAERP CN1CCO[C@H](C(=O)NC2(C[NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001506500630 1114653168 /nfs/dbraw/zinc/65/31/68/1114653168.db2.gz QGPJBSNYJFNXBQ-SFHVURJKSA-N 2 0 349.519 2.226 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001506879442 1114946485 /nfs/dbraw/zinc/94/64/85/1114946485.db2.gz YKWJDGIPRMLKEV-BRWVUGGUSA-N 2 0 335.517 2.259 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001506947656 1114995888 /nfs/dbraw/zinc/99/58/88/1114995888.db2.gz ZPXBDIDHYJVHAV-KRWDZBQOSA-N 2 0 329.488 2.199 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506951859 1115000643 /nfs/dbraw/zinc/00/06/43/1115000643.db2.gz ROOOGOITHZTCJW-AEFFLSMTSA-N 2 0 346.519 2.079 10 0 EEAERP CC[C@@H](C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1)OC ZINC001506964235 1115013318 /nfs/dbraw/zinc/01/33/18/1115013318.db2.gz NWJTZSQKNJUGEW-BQFCYCMXSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)COC2CC[NH+](C)CC2)cc1 ZINC001507138827 1115128604 /nfs/dbraw/zinc/12/86/04/1115128604.db2.gz PQIGMVCUEIYFSH-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2C)C[C@@H]1C ZINC001507334584 1115198547 /nfs/dbraw/zinc/19/85/47/1115198547.db2.gz VPYFFGGSGGVWPM-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001507350570 1115213881 /nfs/dbraw/zinc/21/38/81/1115213881.db2.gz AINYMHCXRZVOIO-HOJAQTOUSA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001508002431 1115387710 /nfs/dbraw/zinc/38/77/10/1115387710.db2.gz AOOGDNNSJBSHPK-YESZJQIVSA-N 2 0 341.540 2.262 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001508081579 1115414688 /nfs/dbraw/zinc/41/46/88/1115414688.db2.gz OODFRKQPZJPQPR-IRXDYDNUSA-N 2 0 344.503 2.140 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568121088 1124314240 /nfs/dbraw/zinc/31/42/40/1124314240.db2.gz MLTJAVGHPJVYGA-ROUUACIJSA-N 2 0 333.451 2.379 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568172238 1124339523 /nfs/dbraw/zinc/33/95/23/1124339523.db2.gz QFOLQNCGQXJPIU-FXAWDEMLSA-N 2 0 343.515 2.221 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001568386098 1124456263 /nfs/dbraw/zinc/45/62/63/1124456263.db2.gz VCSMPFVRSSEUGZ-KBAYOESNSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568392904 1124462432 /nfs/dbraw/zinc/46/24/32/1124462432.db2.gz ZBRZMQCVOMJKER-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001568397486 1124468110 /nfs/dbraw/zinc/46/81/10/1124468110.db2.gz ZVJQSIRBYAHKSU-CQSZACIVSA-N 2 0 347.425 2.395 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001568541116 1124601393 /nfs/dbraw/zinc/60/13/93/1124601393.db2.gz FIBFHLSOLYRFCN-FWVCVXLZSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568643100 1124655198 /nfs/dbraw/zinc/65/51/98/1124655198.db2.gz AQVJWXIKJHRVER-CJNGLKHVSA-N 2 0 340.899 2.306 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cc(C)no2)C1 ZINC001568669569 1124683601 /nfs/dbraw/zinc/68/36/01/1124683601.db2.gz SMOIVQGJDVZIKA-GDBMZVCRSA-N 2 0 336.480 2.089 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001568791855 1124804391 /nfs/dbraw/zinc/80/43/91/1124804391.db2.gz WRJVGRRFOPUKHV-OAHLLOKOSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568851534 1124872460 /nfs/dbraw/zinc/87/24/60/1124872460.db2.gz GIFDHEHJWOCKKG-WUUFJKRQSA-N 2 0 341.499 2.407 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001569019527 1125045567 /nfs/dbraw/zinc/04/55/67/1125045567.db2.gz ZTPNEWBHNXJLHX-SJLPKXTDSA-N 2 0 347.503 2.118 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCCCO1)C(=O)C12CCC[NH+]1CCC2 ZINC001569218367 1125173601 /nfs/dbraw/zinc/17/36/01/1125173601.db2.gz SWRDZFULLJTZDJ-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001569221022 1125175247 /nfs/dbraw/zinc/17/52/47/1125175247.db2.gz DIEGBJSVZOOOQP-HNNXBMFYSA-N 2 0 329.448 2.365 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001569237469 1125186078 /nfs/dbraw/zinc/18/60/78/1125186078.db2.gz KOINDIHYIJDMEC-CYBMUJFWSA-N 2 0 346.928 2.321 10 0 EEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055064881 214269947 /nfs/dbraw/zinc/26/99/47/214269947.db2.gz CZEPLXPCQUWMRE-NEPJUHHUSA-N 2 0 330.270 2.458 10 0 EEAERP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000358116376 299090371 /nfs/dbraw/zinc/09/03/71/299090371.db2.gz SSQYPXDEGZKTFC-WMZOPIPTSA-N 2 0 334.508 2.297 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000067138805 215116634 /nfs/dbraw/zinc/11/66/34/215116634.db2.gz JGUMWDDRHGKOBN-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415974402 239028540 /nfs/dbraw/zinc/02/85/40/239028540.db2.gz OFWMITHYRRPURF-AWEZNQCLSA-N 2 0 334.439 2.419 10 0 EEAERP C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000358116373 296060684 /nfs/dbraw/zinc/06/06/84/296060684.db2.gz SSQYPXDEGZKTFC-SJLPKXTDSA-N 2 0 334.508 2.297 10 0 EEAERP CN([C@@H](C[NH3+])c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000022172559 212280785 /nfs/dbraw/zinc/28/07/85/212280785.db2.gz UYIALXKGEMOOKH-HNNXBMFYSA-N 2 0 326.282 2.475 10 0 EEAERP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423517695 240514266 /nfs/dbraw/zinc/51/42/66/240514266.db2.gz YMQGOCBXJSOCFC-TXQGORRRSA-N 2 0 345.535 2.252 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000460223379 245331418 /nfs/dbraw/zinc/33/14/18/245331418.db2.gz AELAXINQYFASBL-UHFFFAOYSA-N 2 0 336.524 2.402 10 0 EEAERP COc1cc(C[NH+]2CCCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011706464 211237988 /nfs/dbraw/zinc/23/79/88/211237988.db2.gz BFWCSECOWSXLLJ-QGZVFWFLSA-N 2 0 336.476 2.371 10 0 EEAERP Cc1cccc2c(NCCCC[NH+]3CCN(CCO)CC3)cc[nH+]c12 ZINC000095421338 218363537 /nfs/dbraw/zinc/36/35/37/218363537.db2.gz DGGWWYATPXVCPL-UHFFFAOYSA-N 2 0 342.487 2.345 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173833485 533585733 /nfs/dbraw/zinc/58/57/33/533585733.db2.gz PYFHHGRLLCDAOS-APWZRJJASA-N 2 0 344.503 2.169 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000057825503 292147010 /nfs/dbraw/zinc/14/70/10/292147010.db2.gz DNTXGFJDLUTEDN-RBUKOAKNSA-N 2 0 344.503 2.435 10 0 EEAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000249345591 160378310 /nfs/dbraw/zinc/37/83/10/160378310.db2.gz JNOGOOWVWJZHAY-VQTJNVASSA-N 2 0 341.499 2.378 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105128488 159296597 /nfs/dbraw/zinc/29/65/97/159296597.db2.gz XKIVLDYRIVILNS-FGTMMUONSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107833037 159337022 /nfs/dbraw/zinc/33/70/22/159337022.db2.gz SACSHXIXDPFSNF-ROUUACIJSA-N 2 0 336.524 2.378 10 0 EEAERP CC(C)([NH3+])CC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000236578693 160218857 /nfs/dbraw/zinc/21/88/57/160218857.db2.gz ZLHIKSLJCAEENM-LBPRGKRZSA-N 2 0 325.403 2.173 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000245426206 160233801 /nfs/dbraw/zinc/23/38/01/160233801.db2.gz LCKRFZFWEKSLKE-MAUKXSAKSA-N 2 0 343.471 2.335 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246706351 160290289 /nfs/dbraw/zinc/29/02/89/160290289.db2.gz XOISBUTYVBLNHP-RCCFBDPRSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000342251404 161050728 /nfs/dbraw/zinc/05/07/28/161050728.db2.gz RQNLTJBRMYECBJ-INIZCTEOSA-N 2 0 344.382 2.422 10 0 EEAERP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000342797363 161091629 /nfs/dbraw/zinc/09/16/29/161091629.db2.gz RUWLVPBKLXUIPZ-UHFFFAOYSA-N 2 0 332.492 2.481 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccsc1C ZINC000345390272 161297509 /nfs/dbraw/zinc/29/75/09/161297509.db2.gz CCZHDEVIPSGJCL-QGZVFWFLSA-N 2 0 337.533 2.474 10 0 EEAERP C[C@@H]1[C@@H](C)N(C(=O)c2cnn(-c3ccncc3)c2C(F)F)CCN1C ZINC000346489013 161376447 /nfs/dbraw/zinc/37/64/47/161376447.db2.gz KCEWYBKCPUGCTF-VXGBXAGGSA-N 2 0 349.385 2.370 10 0 EEAERP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCO1 ZINC000355681405 163268369 /nfs/dbraw/zinc/26/83/69/163268369.db2.gz ZDLIRFHNZQGQRK-HKUYNNGSSA-N 2 0 347.503 2.273 10 0 EEAERP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000368124429 166055095 /nfs/dbraw/zinc/05/50/95/166055095.db2.gz RKFIKWCAEMLQSG-OAHLLOKOSA-N 2 0 337.427 2.148 10 0 EEAERP COC(=O)CCC[NH+]1CCC(NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000368290252 166083980 /nfs/dbraw/zinc/08/39/80/166083980.db2.gz DNMKRVRBJQVJGM-UHFFFAOYSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]2CCC1CC2 ZINC000364953395 165331117 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336.455 2.210 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341542869 278857906 /nfs/dbraw/zinc/85/79/06/278857906.db2.gz GEFSXZFADFHNHL-IRXDYDNUSA-N 2 0 326.529 2.479 10 0 EEAERP Cc1cc(CN(C)CCN2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000292893538 293070723 /nfs/dbraw/zinc/07/07/23/293070723.db2.gz QOIIDNHDAGJDFX-UHFFFAOYSA-N 2 0 339.487 2.035 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416848804 313335397 /nfs/dbraw/zinc/33/53/97/313335397.db2.gz WWZCZGUUBUFQPD-QZTJIDSGSA-N 2 0 344.434 2.428 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416959316 313372152 /nfs/dbraw/zinc/37/21/52/313372152.db2.gz YTGPJMQHDKAESX-XHSDSOJGSA-N 2 0 348.491 2.005 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000416999058 313388223 /nfs/dbraw/zinc/38/82/23/313388223.db2.gz XOFQIDYYLAXSDS-RDJZCZTQSA-N 2 0 348.491 2.038 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000417003964 313390898 /nfs/dbraw/zinc/39/08/98/313390898.db2.gz HNTMXBRZQWCXNC-OKZBNKHCSA-N 2 0 336.524 2.136 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)o1 ZINC000417425582 313510926 /nfs/dbraw/zinc/51/09/26/313510926.db2.gz ZAAFFBAMLBPKOV-BBWFWOEESA-N 2 0 346.475 2.261 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418425600 313809879 /nfs/dbraw/zinc/80/98/79/313809879.db2.gz ILJJGQNIQVUFFN-LJQANCHMSA-N 2 0 340.471 2.460 10 0 EEAERP COCCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247976 317704130 /nfs/dbraw/zinc/70/41/30/317704130.db2.gz FORMZJDLMGBWLQ-HXUWFJFHSA-N 2 0 348.487 2.302 10 0 EEAERP CC(=O)NC1CCC([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000541535729 318102421 /nfs/dbraw/zinc/10/24/21/318102421.db2.gz QVYGBZCVKICQLR-UHFFFAOYSA-N 2 0 341.459 2.455 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000542310120 318126111 /nfs/dbraw/zinc/12/61/11/318126111.db2.gz GDBXSSQPSITYJO-UHFFFAOYSA-N 2 0 334.489 2.259 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[NH+](C)C)cc1 ZINC000574741397 320052570 /nfs/dbraw/zinc/05/25/70/320052570.db2.gz AVRCQQLSNDKQPN-QUCCMNQESA-N 2 0 344.503 2.383 10 0 EEAERP C[N@H+](C[C@@H](O)CNCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000575376944 320103710 /nfs/dbraw/zinc/10/37/10/320103710.db2.gz AHWANMJYLNCQQA-FQEVSTJZSA-N 2 0 331.504 2.217 10 0 EEAERP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382998318 323526914 /nfs/dbraw/zinc/52/69/14/323526914.db2.gz ZIDMGCOQABTCGK-HOTGVXAUSA-N 2 0 343.512 2.190 10 0 EEAERP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c(C)n1 ZINC000580873616 324142529 /nfs/dbraw/zinc/14/25/29/324142529.db2.gz JWNDMFOSCZFNGA-UHFFFAOYSA-N 2 0 325.416 2.098 10 0 EEAERP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000583258961 324627003 /nfs/dbraw/zinc/62/70/03/324627003.db2.gz XAKFBBCUAVXNIK-SFHVURJKSA-N 2 0 325.412 2.481 10 0 EEAERP COCC1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]CC1 ZINC000326372869 465038609 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0 EEAERP Cc1ccccc1C[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000139524463 463326490 /nfs/dbraw/zinc/32/64/90/463326490.db2.gz DLPYNACLAVPDFB-IBGZPJMESA-N 2 0 344.503 2.307 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000072987611 463571641 /nfs/dbraw/zinc/57/16/41/463571641.db2.gz NJNLOZDILKDUJN-MRXNPFEDSA-N 2 0 344.503 2.455 10 0 EEAERP CC[N@H+](CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)C(C)C ZINC000073644924 463637211 /nfs/dbraw/zinc/63/72/11/463637211.db2.gz ZMBSQKMFLYYBCX-UHFFFAOYSA-N 2 0 332.492 2.453 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000194131565 463796260 /nfs/dbraw/zinc/79/62/60/463796260.db2.gz DLBUVSYMABWEPO-WMZOPIPTSA-N 2 0 348.491 2.081 10 0 EEAERP COc1cccc([C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)[NH+](C)C)c1 ZINC000261632921 463809417 /nfs/dbraw/zinc/80/94/17/463809417.db2.gz HORAMVUNBQQMIC-DLBZAZTESA-N 2 0 333.476 2.192 10 0 EEAERP C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261940742 463906338 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EEAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000264605271 464390863 /nfs/dbraw/zinc/39/08/63/464390863.db2.gz DTNMHRDAOVRTSL-QGZVFWFLSA-N 2 0 327.472 2.497 10 0 EEAERP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000237895560 464399190 /nfs/dbraw/zinc/39/91/90/464399190.db2.gz XRUYABKTUDMZRI-JKSUJKDBSA-N 2 0 339.549 2.372 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000246757523 464618109 /nfs/dbraw/zinc/61/81/09/464618109.db2.gz XWLLSKHRMPRZHR-KZNAEPCWSA-N 2 0 338.540 2.382 10 0 EEAERP Cc1ncsc1CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182570085 464685020 /nfs/dbraw/zinc/68/50/20/464685020.db2.gz BHDHBVQWKNKNMY-SJPCQFCGSA-N 2 0 334.533 2.237 10 0 EEAERP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCC=CO3)c2)C1 ZINC000248750958 464795869 /nfs/dbraw/zinc/79/58/69/464795869.db2.gz BXVIGFUTCIYWIX-RBUKOAKNSA-N 2 0 343.471 2.166 10 0 EEAERP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000286274430 464862949 /nfs/dbraw/zinc/86/29/49/464862949.db2.gz FGKJKTBNTOXZHS-OCCSQVGLSA-N 2 0 334.489 2.021 10 0 EEAERP CO[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000295724567 464943486 /nfs/dbraw/zinc/94/34/86/464943486.db2.gz LHQQSOKHOYNLQF-GOSISDBHSA-N 2 0 326.444 2.165 10 0 EEAERP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000357269548 465902636 /nfs/dbraw/zinc/90/26/36/465902636.db2.gz GNWMWYNUVJLDGZ-QFBILLFUSA-N 2 0 344.503 2.476 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000353500581 465936869 /nfs/dbraw/zinc/93/68/69/465936869.db2.gz FZFXWHKECRZKHK-CSBKYJRVSA-N 2 0 340.414 2.167 10 0 EEAERP COc1ccccc1/C=C\C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353676408 466059541 /nfs/dbraw/zinc/05/95/41/466059541.db2.gz XTASMRZJVLMXSK-NTMALXAHSA-N 2 0 345.487 2.290 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349661254 466179152 /nfs/dbraw/zinc/17/91/52/466179152.db2.gz HNPMUQZBNSGUKU-SJLPKXTDSA-N 2 0 336.524 2.377 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000591568318 468484505 /nfs/dbraw/zinc/48/45/05/468484505.db2.gz LLOHNGWFLYJGLQ-HZPDHXFCSA-N 2 0 340.508 2.493 10 0 EEAERP C(N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422901358 466686312 /nfs/dbraw/zinc/68/63/12/466686312.db2.gz BVFWRZDJRKUFKF-AABGKKOBSA-N 2 0 335.536 2.388 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417049516 466764730 /nfs/dbraw/zinc/76/47/30/466764730.db2.gz UIPCUQHPDCTYED-SJLPKXTDSA-N 2 0 332.492 2.498 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000365650416 466895912 /nfs/dbraw/zinc/89/59/12/466895912.db2.gz BLUCEGVXGKPNQQ-GOSISDBHSA-N 2 0 325.472 2.190 10 0 EEAERP CC(C)(C(=O)NCCC[NH2+]Cc1cccnc1)[C@H]([NH3+])c1ccccc1 ZINC000417819792 466945209 /nfs/dbraw/zinc/94/52/09/466945209.db2.gz XOHXKXBMIOZPIZ-GOSISDBHSA-N 2 0 340.471 2.404 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)NC(C)(C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417990548 467013897 /nfs/dbraw/zinc/01/38/97/467013897.db2.gz MFONKJWLCPPGJE-SJORKVTESA-N 2 0 346.475 2.010 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418046768 467033369 /nfs/dbraw/zinc/03/33/69/467033369.db2.gz QZPNKYAFGTUQNV-APWZRJJASA-N 2 0 330.476 2.044 10 0 EEAERP CC[NH+](CC)CCN(CCOC)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418283518 467087886 /nfs/dbraw/zinc/08/78/86/467087886.db2.gz KPQQSIZSYGZXBH-UHFFFAOYSA-N 2 0 342.528 2.038 10 0 EEAERP CCN(C(=O)NC[C@H](C)C[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418462764 467114680 /nfs/dbraw/zinc/11/46/80/467114680.db2.gz BUDKBLIUUIXYSY-RYRKJORJSA-N 2 0 332.492 2.448 10 0 EEAERP C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000425727672 467127429 /nfs/dbraw/zinc/12/74/29/467127429.db2.gz RKNKIWWBJQOOJY-WJFTUGDTSA-N 2 0 342.487 2.167 10 0 EEAERP Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c2ccccc2[nH+]1 ZINC000450894519 467198903 /nfs/dbraw/zinc/19/89/03/467198903.db2.gz VPLVMEXQDQKASR-INIZCTEOSA-N 2 0 338.455 2.334 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450902993 467202707 /nfs/dbraw/zinc/20/27/07/467202707.db2.gz YPYRPKYOBHRINC-LPHOPBHVSA-N 2 0 341.455 2.377 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)NC[C@@H]([NH3+])c3ccccc3)ccc21 ZINC000429112777 467301907 /nfs/dbraw/zinc/30/19/07/467301907.db2.gz JGBAHWVGNXMFCV-GOSISDBHSA-N 2 0 336.439 2.420 10 0 EEAERP CC(=O)Nc1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cn1 ZINC000433193212 467305454 /nfs/dbraw/zinc/30/54/54/467305454.db2.gz JBHKAUOKBUVSRH-UHFFFAOYSA-N 2 0 336.399 2.219 10 0 EEAERP CCn1nccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397577341 467442719 /nfs/dbraw/zinc/44/27/19/467442719.db2.gz CVJVKBYUZHGOLZ-UHFFFAOYSA-N 2 0 328.460 2.020 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059036 467478461 /nfs/dbraw/zinc/47/84/61/467478461.db2.gz WLVWWKHIUZUCSP-AEFFLSMTSA-N 2 0 332.444 2.202 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000457915015 467728483 /nfs/dbraw/zinc/72/84/83/467728483.db2.gz QNMBRZBUIGOMLD-RTBURBONSA-N 2 0 346.519 2.283 10 0 EEAERP C[N@H+](CCN1CCC(C)([NH+]2CCOCC2)CC1)Cc1ccccc1 ZINC000528730361 467742762 /nfs/dbraw/zinc/74/27/62/467742762.db2.gz UOMOBFDWKNYOTG-UHFFFAOYSA-N 2 0 331.504 2.305 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529286117 467840050 /nfs/dbraw/zinc/84/00/50/467840050.db2.gz XGYBJTCAGSECKC-HOCLYGCPSA-N 2 0 348.516 2.469 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000450396277 467842824 /nfs/dbraw/zinc/84/28/24/467842824.db2.gz VKIDWMCWHUEVOS-UXHICEINSA-N 2 0 336.568 2.351 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000459103456 467950441 /nfs/dbraw/zinc/95/04/41/467950441.db2.gz LJVNDTUUVHSTOF-MAUKXSAKSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000514720172 467950723 /nfs/dbraw/zinc/95/07/23/467950723.db2.gz MZHWDWCBUJLSSP-FMKPAKJESA-N 2 0 345.491 2.282 10 0 EEAERP COC[C@H](C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514757933 467952882 /nfs/dbraw/zinc/95/28/82/467952882.db2.gz DQWFGHYHBDZMNV-UYAOXDASSA-N 2 0 331.504 2.161 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@H]2CCC[C@H]21 ZINC000515239399 467981556 /nfs/dbraw/zinc/98/15/56/467981556.db2.gz DNCOBCRQDJGZAB-IXDOHACOSA-N 2 0 337.489 2.021 10 0 EEAERP CC(C)[NH+](Cc1cncc(C[N@@H+](C[C@@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000517010748 468064091 /nfs/dbraw/zinc/06/40/91/468064091.db2.gz CNYJVLZTKIDFAA-CALCHBBNSA-N 2 0 337.508 2.264 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000590126621 468217813 /nfs/dbraw/zinc/21/78/13/468217813.db2.gz QXWTYQVDWCXHIH-NRFANRHFSA-N 2 0 345.531 2.430 10 0 EEAERP C[NH+](C)C[C@@](C)(O)CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851993 468223745 /nfs/dbraw/zinc/22/37/45/468223745.db2.gz FBHOBPYZBYOKQD-OALUTQOASA-N 2 0 331.504 2.086 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)CC[NH2+]CC1 ZINC000600702007 468625149 /nfs/dbraw/zinc/62/51/49/468625149.db2.gz IEOHKYOBKPUTIU-YJBOKZPZSA-N 2 0 346.471 2.039 10 0 EEAERP C[C@@H](CSCCF)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595075296 468753345 /nfs/dbraw/zinc/75/33/45/468753345.db2.gz YEOUQHQQHMVWOI-YOEHRIQHSA-N 2 0 326.481 2.434 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000571223145 468757625 /nfs/dbraw/zinc/75/76/25/468757625.db2.gz RNIFTDIAMRKQDQ-STQMWFEESA-N 2 0 346.397 2.447 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000585120773 468981243 /nfs/dbraw/zinc/98/12/43/468981243.db2.gz KPVGPJYLENSGMF-HKUYNNGSSA-N 2 0 329.488 2.451 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)o1 ZINC000586934089 469083037 /nfs/dbraw/zinc/08/30/37/469083037.db2.gz GXRBFKWVUAITLR-HZPDHXFCSA-N 2 0 334.464 2.118 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000593730997 469113619 /nfs/dbraw/zinc/11/36/19/469113619.db2.gz RAXHQBBAPPQOIX-BPLDGKMQSA-N 2 0 338.473 2.396 10 0 EEAERP CN1CCN(C(=O)c2cnn(-c3ccncc3)c2C(F)F)CC1(C)C ZINC000573933566 469232693 /nfs/dbraw/zinc/23/26/93/469232693.db2.gz HRFSAMMPQHRSTQ-UHFFFAOYSA-N 2 0 349.385 2.371 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000618560619 469389018 /nfs/dbraw/zinc/38/90/18/469389018.db2.gz GUASWZPAIMEXPN-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP COC(=O)[C@@H]1CC12CC[NH+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000612397638 469455327 /nfs/dbraw/zinc/45/53/27/469455327.db2.gz MMLMPYSFZUOTGL-KRWDZBQOSA-N 2 0 340.427 2.351 10 0 EEAERP CC[N@H+](C)C[C@H](O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982475 469457489 /nfs/dbraw/zinc/45/74/89/469457489.db2.gz ARTMKTAPJORYLU-CZUORRHYSA-N 2 0 348.318 2.498 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000629652646 469598745 /nfs/dbraw/zinc/59/87/45/469598745.db2.gz AYJCDYQTDNJUMW-UHFFFAOYSA-N 2 0 343.265 2.052 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)CC1(C)C ZINC000623486159 469671782 /nfs/dbraw/zinc/67/17/82/469671782.db2.gz PHHQZHZGQGUWRX-CABCVRRESA-N 2 0 337.895 2.446 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC1(C)C ZINC000623486162 469672274 /nfs/dbraw/zinc/67/22/74/469672274.db2.gz PHHQZHZGQGUWRX-LSDHHAIUSA-N 2 0 337.895 2.446 10 0 EEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000623738194 469750049 /nfs/dbraw/zinc/75/00/49/469750049.db2.gz UORGVFSPRIQHDF-GOSISDBHSA-N 2 0 344.503 2.041 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000626952145 469767575 /nfs/dbraw/zinc/76/75/75/469767575.db2.gz BIGRVNOPEOKORN-GDBMZVCRSA-N 2 0 334.464 2.246 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627039031 469799332 /nfs/dbraw/zinc/79/93/32/469799332.db2.gz QZNYISDDPHANBN-LMSBXDPUSA-N 2 0 330.476 2.089 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627163254 469829959 /nfs/dbraw/zinc/82/99/59/469829959.db2.gz HICROLFMWGHJME-CEXWTWQISA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627202078 469842464 /nfs/dbraw/zinc/84/24/64/469842464.db2.gz NEYWSNOUVQHMDQ-NXHRZFHOSA-N 2 0 330.476 2.043 10 0 EEAERP C[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000608615453 469845722 /nfs/dbraw/zinc/84/57/22/469845722.db2.gz XYQJKRZSYTXSKG-GDBMZVCRSA-N 2 0 338.521 2.382 10 0 EEAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631086178 470065374 /nfs/dbraw/zinc/06/53/74/470065374.db2.gz UCUCEZPGYINKDK-GOSISDBHSA-N 2 0 349.523 2.162 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621669771 470089124 /nfs/dbraw/zinc/08/91/24/470089124.db2.gz WRENTKUNCYDEBL-MNEFBYGVSA-N 2 0 345.487 2.037 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886124 470189564 /nfs/dbraw/zinc/18/95/64/470189564.db2.gz GOMKOILDQURPSQ-QAPCUYQASA-N 2 0 341.455 2.137 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000632482997 470236996 /nfs/dbraw/zinc/23/69/96/470236996.db2.gz OWOWCSBFJVKVFO-XGXHKWSGSA-N 2 0 329.488 2.353 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000649103739 470464837 /nfs/dbraw/zinc/46/48/37/470464837.db2.gz PCBAGUAJSDALQE-KANFNMMFSA-N 2 0 329.488 2.178 10 0 EEAERP CC1(C)C[NH2+][C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000645964055 470476553 /nfs/dbraw/zinc/47/65/53/470476553.db2.gz MGZYKQWMOLHOBE-FBVQUNGASA-N 2 0 327.472 2.296 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000633954010 470649927 /nfs/dbraw/zinc/64/99/27/470649927.db2.gz JBODVGPZKCKMOS-INIZCTEOSA-N 2 0 339.549 2.291 10 0 EEAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000638119670 470973468 /nfs/dbraw/zinc/97/34/68/470973468.db2.gz BFELVZACCMGXCW-PBWTXFEYSA-N 2 0 345.487 2.004 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644551477 470980488 /nfs/dbraw/zinc/98/04/88/470980488.db2.gz YJTNDZXUCITYSJ-GGPKGHCWSA-N 2 0 333.520 2.332 10 0 EEAERP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000657543659 471166119 /nfs/dbraw/zinc/16/61/19/471166119.db2.gz MXVFPFVIYNEFOQ-ICSRJNTNSA-N 2 0 348.487 2.302 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000657573759 471174053 /nfs/dbraw/zinc/17/40/53/471174053.db2.gz SKLJQLYCIYEVPV-ZSYWTGECSA-N 2 0 325.541 2.443 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCCC2CC[NH2+]CC2)ccc1F ZINC000652152093 471245873 /nfs/dbraw/zinc/24/58/73/471245873.db2.gz DSGXLQNGFSNBDV-UHFFFAOYSA-N 2 0 336.455 2.076 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652234588 471260079 /nfs/dbraw/zinc/26/00/79/471260079.db2.gz BOGASUCHCFSDMU-OAHLLOKOSA-N 2 0 338.883 2.371 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652241194 471260664 /nfs/dbraw/zinc/26/06/64/471260664.db2.gz ZHXODGBXHGFCMJ-KRWDZBQOSA-N 2 0 344.503 2.421 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000652287653 471266973 /nfs/dbraw/zinc/26/69/73/471266973.db2.gz BPOKAODQQLQXQT-UHFFFAOYSA-N 2 0 332.492 2.422 10 0 EEAERP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)N1 ZINC000658258335 471281313 /nfs/dbraw/zinc/28/13/13/471281313.db2.gz IHKNOIBUQPYEGR-YDZRNGNQSA-N 2 0 327.472 2.155 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655443261 471326976 /nfs/dbraw/zinc/32/69/76/471326976.db2.gz OUQIVYCJWGPIHZ-AZUAARDMSA-N 2 0 327.472 2.288 10 0 EEAERP CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663406740 471361938 /nfs/dbraw/zinc/36/19/38/471361938.db2.gz PQXKNNSUTZCCKR-IBGZPJMESA-N 2 0 344.503 2.387 10 0 EEAERP CN(CCCC[NH+](C)C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659036512 471479623 /nfs/dbraw/zinc/47/96/23/471479623.db2.gz CIAYTGICWIDYQT-QGZVFWFLSA-N 2 0 334.464 2.153 10 0 EEAERP C[C@@H](CCNC(=O)N(C)CC1C[NH+](C)C1)[N@H+](C)Cc1ccccc1 ZINC000660784720 471484995 /nfs/dbraw/zinc/48/49/95/471484995.db2.gz DNNTWXHONLKAFU-INIZCTEOSA-N 2 0 332.492 2.100 10 0 EEAERP [NH3+]CC12CCC(CC1)CN2C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000653170485 471518242 /nfs/dbraw/zinc/51/82/42/471518242.db2.gz GELWOGAYIXGIBV-UHFFFAOYSA-N 2 0 327.472 2.038 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000655909828 471532292 /nfs/dbraw/zinc/53/22/92/471532292.db2.gz HKRXPHVXGWFWDM-KBPBESRZSA-N 2 0 346.397 2.041 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000669521059 471532379 /nfs/dbraw/zinc/53/23/79/471532379.db2.gz MGGYDJQMWHJPHW-SFHVURJKSA-N 2 0 340.471 2.405 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+](C)C ZINC000655927854 471544466 /nfs/dbraw/zinc/54/44/66/471544466.db2.gz IWDUORXHBLMFLD-BNOWGMLFSA-N 2 0 346.397 2.175 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902458 471544768 /nfs/dbraw/zinc/54/47/68/471544768.db2.gz KTFIQDJHVFJWHS-RBUKOAKNSA-N 2 0 332.488 2.347 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669556708 471550484 /nfs/dbraw/zinc/55/04/84/471550484.db2.gz CBRUKMJCGAQQLX-BHEBFOIGSA-N 2 0 344.503 2.322 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC/C=C/C[NH3+] ZINC000669581446 471566449 /nfs/dbraw/zinc/56/64/49/471566449.db2.gz GTNVIIJQAMOQIK-LXXRFIIISA-N 2 0 330.476 2.101 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000659381327 471598280 /nfs/dbraw/zinc/59/82/80/471598280.db2.gz JXWLLYPTFYCCRQ-QZTJIDSGSA-N 2 0 327.472 2.014 10 0 EEAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380133 471598622 /nfs/dbraw/zinc/59/86/22/471598622.db2.gz AQWXWPQBVURRQQ-UHOSZYNNSA-N 2 0 341.499 2.403 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659432802 471624312 /nfs/dbraw/zinc/62/43/12/471624312.db2.gz PEEVPQAMXMQIMC-IAGOWNOFSA-N 2 0 336.455 2.108 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616282 471699635 /nfs/dbraw/zinc/69/96/35/471699635.db2.gz FEMKGLICSCEUET-UHFFFAOYSA-N 2 0 330.476 2.032 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000659624856 471702282 /nfs/dbraw/zinc/70/22/82/471702282.db2.gz ZCMZLDKXZNUKAJ-QZTJIDSGSA-N 2 0 332.492 2.276 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000664394437 471739240 /nfs/dbraw/zinc/73/92/40/471739240.db2.gz AJNGKNBLRFMJCW-MRXNPFEDSA-N 2 0 326.529 2.384 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000659873787 471773365 /nfs/dbraw/zinc/77/33/65/471773365.db2.gz NOTDKYAGIVKDIO-FQEVSTJZSA-N 2 0 332.488 2.372 10 0 EEAERP OC1([C@@H]2CCCC[NH+]2C/C=C/C[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708164 471814297 /nfs/dbraw/zinc/81/42/97/471814297.db2.gz UQAWPUILNDJZNR-ZBKUBXTQSA-N 2 0 334.504 2.301 10 0 EEAERP O[C@@]1(C2CC2)CCC[N@H+](C/C=C/C[NH+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631417 471835300 /nfs/dbraw/zinc/83/53/00/471835300.db2.gz KPECFVWCEXYUHI-FWDLARJDSA-N 2 0 334.504 2.016 10 0 EEAERP c1nn2c(c1C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)CCC2 ZINC000667959843 471963535 /nfs/dbraw/zinc/96/35/35/471963535.db2.gz ZJBHBAVIJIGNJN-UHFFFAOYSA-N 2 0 332.492 2.154 10 0 EEAERP CC[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccccc1F ZINC000665222825 471972102 /nfs/dbraw/zinc/97/21/02/471972102.db2.gz NYHPAPRYJPGSLG-KRWDZBQOSA-N 2 0 338.471 2.460 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000665259361 471982497 /nfs/dbraw/zinc/98/24/97/471982497.db2.gz CUXUCGYPWSITFU-ZAUBIYILSA-N 2 0 347.478 2.352 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000665640562 472120801 /nfs/dbraw/zinc/12/08/01/472120801.db2.gz YEQNBUBRGGMKAZ-HOTGVXAUSA-N 2 0 335.496 2.056 10 0 EEAERP CC[N@H+](CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662581335 472161718 /nfs/dbraw/zinc/16/17/18/472161718.db2.gz GDWCZBNWRGDJBO-OAHLLOKOSA-N 2 0 347.507 2.261 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662785498 472250897 /nfs/dbraw/zinc/25/08/97/472250897.db2.gz JHOBBLWGQLSODJ-UHFFFAOYSA-N 2 0 330.432 2.072 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673861660 485559803 /nfs/dbraw/zinc/55/98/03/485559803.db2.gz YRYFSELNBMJPGE-KRWDZBQOSA-N 2 0 340.431 2.359 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC1(F)F ZINC000673206945 486295349 /nfs/dbraw/zinc/29/53/49/486295349.db2.gz HZSBFBOKEIGSQM-CABCVRRESA-N 2 0 346.466 2.232 10 0 EEAERP C[NH+](C)CCCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000681783162 486328677 /nfs/dbraw/zinc/32/86/77/486328677.db2.gz VMJHNAUWUCCFAC-LJQANCHMSA-N 2 0 332.492 2.292 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173833459 533889197 /nfs/dbraw/zinc/88/91/97/533889197.db2.gz PYFHHGRLLCDAOS-VQIMIIECSA-N 2 0 344.503 2.169 10 0 EEAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000173902274 527817340 /nfs/dbraw/zinc/81/73/40/527817340.db2.gz KXPRLEXXQNNHCM-WMZOPIPTSA-N 2 0 340.895 2.491 10 0 EEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000187479924 528439342 /nfs/dbraw/zinc/43/93/42/528439342.db2.gz ACCZTOZDAFUZRZ-RBUKOAKNSA-N 2 0 346.519 2.489 10 0 EEAERP CN1CCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)[C@H]1c1cccs1 ZINC000775392553 577436489 /nfs/dbraw/zinc/43/64/89/577436489.db2.gz JPFYAIDLUVDUFK-FMKPAKJESA-N 2 0 342.530 2.298 10 0 EEAERP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000723783165 676716550 /nfs/dbraw/zinc/71/65/50/676716550.db2.gz WYJOSTFAEYTERK-GDBMZVCRSA-N 2 0 325.497 2.421 10 0 EEAERP Brc1cnn(CC[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000926415232 678510177 /nfs/dbraw/zinc/51/01/77/678510177.db2.gz QGBJESZDKZKDGK-UONOGXRCSA-N 2 0 327.270 2.252 10 0 EEAERP O=C(NCCC[NH2+][C@H]1CCCN2CCCC[C@H]12)c1cccc(O)c1 ZINC000924899382 681331516 /nfs/dbraw/zinc/33/15/16/681331516.db2.gz VUBDFCDNCVMJAT-ZWKOTPCHSA-N 2 0 331.460 2.119 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)CN1CC[NH+](C)CC1 ZINC000924950442 681865131 /nfs/dbraw/zinc/86/51/31/681865131.db2.gz PJQDJAZXLLRRNH-WSTZPKSXSA-N 2 0 330.520 2.266 10 0 EEAERP CCc1[nH]c(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1C(=O)OC ZINC000894796273 683096718 /nfs/dbraw/zinc/09/67/18/683096718.db2.gz ZDCAUOLCJXBSMR-UHFFFAOYSA-N 2 0 339.505 2.281 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900204152 693971112 /nfs/dbraw/zinc/97/11/12/693971112.db2.gz BJQHNMTUTPZIRA-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP C[NH+](C)C[C@@H](N[C@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000925716135 686343011 /nfs/dbraw/zinc/34/30/11/686343011.db2.gz BJQPADYLFRMXOW-SWLSCSKDSA-N 2 0 332.275 2.174 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001485683813 1191896640 /nfs/dbraw/zinc/89/66/40/1191896640.db2.gz AALMBNBVVYBTLO-IHPCNDPISA-N 2 0 341.499 2.055 10 0 EEAERP Cc1cnc(CNCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001485721963 1191909641 /nfs/dbraw/zinc/90/96/41/1191909641.db2.gz ATICZYNSJDBCFK-GDBMZVCRSA-N 2 0 336.480 2.230 10 0 EEAERP CCCCOCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001485763677 1191937232 /nfs/dbraw/zinc/93/72/32/1191937232.db2.gz RIOMDUINAVYVQE-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485814157 1191978211 /nfs/dbraw/zinc/97/82/11/1191978211.db2.gz RLWSFBUKWFLPIQ-MSOLQXFVSA-N 2 0 348.491 2.184 10 0 EEAERP CCc1cnc(C[N@@H+]2CCC[C@H]2CCCNC(=O)C[NH+]2CCCC2)o1 ZINC001266244882 1176012455 /nfs/dbraw/zinc/01/24/55/1176012455.db2.gz ZCXMRVCSJUMLEK-MRXNPFEDSA-N 2 0 348.491 2.194 10 0 EEAERP CC(C)OCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001691793126 1176144645 /nfs/dbraw/zinc/14/46/45/1176144645.db2.gz UEHFKGZYKYHSIQ-LJQANCHMSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCCCCF)C[C@H]32)C1 ZINC001690977156 1176410742 /nfs/dbraw/zinc/41/07/42/1176410742.db2.gz FJVZZNIIYDGMMX-BRWVUGGUSA-N 2 0 325.472 2.001 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001266442540 1176542432 /nfs/dbraw/zinc/54/24/32/1176542432.db2.gz YUOKCPPIIQZGIA-WOJBJXKFSA-N 2 0 343.515 2.364 10 0 EEAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)CC[C@H]1CCOC1 ZINC001480882570 1176806366 /nfs/dbraw/zinc/80/63/66/1176806366.db2.gz OXOOGJSMMNCHFN-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1c(C(=O)NCC[N@@H+](C)C[C@H]2CC(C)(C)CO2)ccc2c[nH+]cn21 ZINC001480884704 1176858278 /nfs/dbraw/zinc/85/82/78/1176858278.db2.gz XCBPXTXFTABJDT-MRXNPFEDSA-N 2 0 344.459 2.119 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001266617004 1177003491 /nfs/dbraw/zinc/00/34/91/1177003491.db2.gz RJUXCJRFISBKRL-WKILWMFISA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001266639566 1177040097 /nfs/dbraw/zinc/04/00/97/1177040097.db2.gz DAIGBFUHDDQOPF-AVGNSLFASA-N 2 0 336.307 2.147 10 0 EEAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702117 1177227126 /nfs/dbraw/zinc/22/71/26/1177227126.db2.gz PHSDCGRVUAAAOD-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001266735407 1177324250 /nfs/dbraw/zinc/32/42/50/1177324250.db2.gz OCIHYBRSMMHWII-HDICACEKSA-N 2 0 330.476 2.085 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001691184605 1177683442 /nfs/dbraw/zinc/68/34/42/1177683442.db2.gz SFKICULGUNJVHY-WGSAOQKQSA-N 2 0 329.488 2.199 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001266916248 1177794529 /nfs/dbraw/zinc/79/45/29/1177794529.db2.gz OFZUNSVUWOPZOS-ABHNRTSZSA-N 2 0 339.524 2.304 10 0 EEAERP CN(CC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691351858 1177950729 /nfs/dbraw/zinc/95/07/29/1177950729.db2.gz JAPBGDWUCQBKJA-QGZVFWFLSA-N 2 0 349.523 2.061 10 0 EEAERP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001266989192 1178045903 /nfs/dbraw/zinc/04/59/03/1178045903.db2.gz VQFKZSVMPCKBGG-UHFFFAOYSA-N 2 0 329.488 2.256 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001267058726 1178166794 /nfs/dbraw/zinc/16/67/94/1178166794.db2.gz VMXZPCMPLRSZFT-UYAOXDASSA-N 2 0 343.515 2.317 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001267176028 1178414494 /nfs/dbraw/zinc/41/44/94/1178414494.db2.gz XKYUVIJYMLSCFD-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001691446469 1178832477 /nfs/dbraw/zinc/83/24/77/1178832477.db2.gz WZHBOLZYYOIAGL-KBPBESRZSA-N 2 0 337.430 2.355 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)C1CC[NH+](C)CC1 ZINC001691458919 1178870236 /nfs/dbraw/zinc/87/02/36/1178870236.db2.gz LTVRMYHJYAKRMB-UHFFFAOYSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)on1 ZINC001267410379 1178972613 /nfs/dbraw/zinc/97/26/13/1178972613.db2.gz ZLPDGJCIYJQELN-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1cnc(C[N@@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C(C)C)s1 ZINC001267514884 1179233111 /nfs/dbraw/zinc/23/31/11/1179233111.db2.gz TYZWLFSZTCKHFB-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001481127404 1179841038 /nfs/dbraw/zinc/84/10/38/1179841038.db2.gz VAIIJOFUEFLBJT-LJQANCHMSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481265222 1180515759 /nfs/dbraw/zinc/51/57/59/1180515759.db2.gz FHXOCWOKOWQMAZ-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)CCC[NH+]1CCCC1 ZINC001481318302 1181019179 /nfs/dbraw/zinc/01/91/79/1181019179.db2.gz VOLRYRAZQPMLRZ-UHFFFAOYSA-N 2 0 338.883 2.159 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001481358308 1181117063 /nfs/dbraw/zinc/11/70/63/1181117063.db2.gz QPDWBWZNFPHOEO-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001481400767 1181215248 /nfs/dbraw/zinc/21/52/48/1181215248.db2.gz SVMLAGYCBYPPNH-RBUKOAKNSA-N 2 0 333.520 2.441 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001268100797 1181746393 /nfs/dbraw/zinc/74/63/93/1181746393.db2.gz PVSBSJQPFVRLAP-LPHOPBHVSA-N 2 0 331.504 2.180 10 0 EEAERP C[C@H]1CCCN(C(=O)CCc2cncn2C)[C@H]1C[NH2+]CCC1CC1 ZINC001268195465 1181989258 /nfs/dbraw/zinc/98/92/58/1181989258.db2.gz KUXLRXGDNYHXTE-YJBOKZPZSA-N 2 0 332.492 2.370 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC001481654836 1182136687 /nfs/dbraw/zinc/13/66/87/1182136687.db2.gz LWUQCOQHCWHWMC-MRXNPFEDSA-N 2 0 349.906 2.272 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389319 1182441866 /nfs/dbraw/zinc/44/18/66/1182441866.db2.gz LIAUAPHNLHPFCX-CQSZACIVSA-N 2 0 336.480 2.096 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001481773870 1182685099 /nfs/dbraw/zinc/68/50/99/1182685099.db2.gz FBJZTCAZHZORRV-HUUCEWRRSA-N 2 0 331.451 2.296 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268457919 1182721201 /nfs/dbraw/zinc/72/12/01/1182721201.db2.gz BTMDVEQYHJLJTB-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001268458295 1182734414 /nfs/dbraw/zinc/73/44/14/1182734414.db2.gz KPELKKHWVWNQHT-MRXNPFEDSA-N 2 0 341.883 2.324 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268470494 1182837585 /nfs/dbraw/zinc/83/75/85/1182837585.db2.gz CPSYZZAWYNBTQE-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cnc(C)s1 ZINC001481882016 1182866356 /nfs/dbraw/zinc/86/63/56/1182866356.db2.gz NURZKKFMGGUNGE-HNNXBMFYSA-N 2 0 338.521 2.312 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC[NH2+]Cc2ncccc2C)C1 ZINC001268472959 1182878519 /nfs/dbraw/zinc/87/85/19/1182878519.db2.gz KXMJTDNTFQSXFX-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001481930232 1182976147 /nfs/dbraw/zinc/97/61/47/1182976147.db2.gz FVZQUZFOBVSTED-UJLUAWQESA-N 2 0 327.900 2.344 10 0 EEAERP CCN(CC[NH2+]CCOc1c(C)cccc1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268497833 1183013687 /nfs/dbraw/zinc/01/36/87/1183013687.db2.gz IWOQRDRSXVVOFQ-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001481962879 1183035797 /nfs/dbraw/zinc/03/57/97/1183035797.db2.gz HLTRJROALPGBCN-YLJYHZDGSA-N 2 0 344.503 2.332 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC001268538704 1183199988 /nfs/dbraw/zinc/19/99/88/1183199988.db2.gz MGIZIYNIDXRSJP-JLDDFQMGSA-N 2 0 345.462 2.491 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC001482062408 1183277011 /nfs/dbraw/zinc/27/70/11/1183277011.db2.gz LYEHBZBYXXULBQ-GOSISDBHSA-N 2 0 340.471 2.267 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(OC)cc1)[NH+](C)C ZINC001482065302 1183281210 /nfs/dbraw/zinc/28/12/10/1183281210.db2.gz WZLSQEYBWOMWNJ-MJGOQNOKSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001268581573 1183365626 /nfs/dbraw/zinc/36/56/26/1183365626.db2.gz JKFWVMVIKRVRBI-WAYWQWQTSA-N 2 0 329.488 2.407 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CCc2ccccc2F)CC1 ZINC001268609285 1183518194 /nfs/dbraw/zinc/51/81/94/1183518194.db2.gz PYYCEMJKUNYXSH-PLNGDYQASA-N 2 0 347.478 2.362 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCF)CC1 ZINC001268774705 1183692387 /nfs/dbraw/zinc/69/23/87/1183692387.db2.gz JVQUIFUJQULHIV-SJORKVTESA-N 2 0 327.488 2.341 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCOC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268792875 1183708438 /nfs/dbraw/zinc/70/84/38/1183708438.db2.gz FLKIJFWFYJWRKK-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001268822940 1183742211 /nfs/dbraw/zinc/74/22/11/1183742211.db2.gz WAXMSOZPKAMQJG-IRXDYDNUSA-N 2 0 349.523 2.132 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001268852677 1183766424 /nfs/dbraw/zinc/76/64/24/1183766424.db2.gz SZWGRSIDJOKCSS-LBPRGKRZSA-N 2 0 332.901 2.075 10 0 EEAERP COCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268988402 1183880500 /nfs/dbraw/zinc/88/05/00/1183880500.db2.gz QQXJMXGEYJQTHD-OALUTQOASA-N 2 0 345.487 2.074 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001482234283 1184427375 /nfs/dbraw/zinc/42/73/75/1184427375.db2.gz WDPKBRXYZFYCDP-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001269981728 1184758499 /nfs/dbraw/zinc/75/84/99/1184758499.db2.gz PTSMYKUTOHQFSI-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001270082557 1184834616 /nfs/dbraw/zinc/83/46/16/1184834616.db2.gz YVAITWGTJDOGQQ-ROUUACIJSA-N 2 0 335.467 2.482 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CCCC1 ZINC001270390796 1185069262 /nfs/dbraw/zinc/06/92/62/1185069262.db2.gz ZPXCKMFIPGVHAP-KGLIPLIRSA-N 2 0 335.414 2.298 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1scnc1C ZINC001482291791 1185124172 /nfs/dbraw/zinc/12/41/72/1185124172.db2.gz HYVBUFVMGBDMJJ-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482330859 1185413208 /nfs/dbraw/zinc/41/32/08/1185413208.db2.gz MUMRMBJDOUOZAN-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001271577355 1186319826 /nfs/dbraw/zinc/31/98/26/1186319826.db2.gz SWISZMPDISZDPZ-KRWDZBQOSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)C)on1 ZINC001482536110 1186572482 /nfs/dbraw/zinc/57/24/82/1186572482.db2.gz MCALUIYLNAQYQH-RDJZCZTQSA-N 2 0 336.480 2.088 10 0 EEAERP CN(CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccns1 ZINC001482606454 1187360331 /nfs/dbraw/zinc/36/03/31/1187360331.db2.gz PTYWCXUKKAYSFM-ZBFHGGJFSA-N 2 0 336.505 2.050 10 0 EEAERP CN(CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccc(F)cn1 ZINC001482606563 1187360973 /nfs/dbraw/zinc/36/09/73/1187360973.db2.gz RZDGHNSDPUMAGA-ROUUACIJSA-N 2 0 348.466 2.128 10 0 EEAERP CN(CC[N@H+](C)CCOCc1ccccc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001272087843 1187559324 /nfs/dbraw/zinc/55/93/24/1187559324.db2.gz XUVGZLXHMXJCHS-IBGZPJMESA-N 2 0 347.503 2.078 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001482839477 1187758372 /nfs/dbraw/zinc/75/83/72/1187758372.db2.gz JWZVAAWSYINGDJ-HNNXBMFYSA-N 2 0 335.467 2.337 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954576 1187882553 /nfs/dbraw/zinc/88/25/53/1187882553.db2.gz JLEDJFUPTTVPFM-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482966913 1187903817 /nfs/dbraw/zinc/90/38/17/1187903817.db2.gz IORRPXQYGFGLCJ-MRXNPFEDSA-N 2 0 337.895 2.272 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001483010434 1187992914 /nfs/dbraw/zinc/99/29/14/1187992914.db2.gz LASPUQDAONACOL-WAYWQWQTSA-N 2 0 344.503 2.417 10 0 EEAERP Cc1cc(C[NH2+]CC2CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)no1 ZINC001409272260 1188509089 /nfs/dbraw/zinc/50/90/89/1188509089.db2.gz DCYNQRVTBGCDSV-LEOMRAHMSA-N 2 0 348.491 2.088 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1CC1 ZINC001485834727 1193570191 /nfs/dbraw/zinc/57/01/91/1193570191.db2.gz RHOCDVWGRGUYFV-PUAODOJSSA-N 2 0 348.318 2.474 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135368 1188673471 /nfs/dbraw/zinc/67/34/71/1188673471.db2.gz AYMQOHUVDAKZTL-CQSZACIVSA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001485839543 1193610780 /nfs/dbraw/zinc/61/07/80/1193610780.db2.gz ZLZUUAKZBRMYGT-SFHVURJKSA-N 2 0 335.467 2.493 10 0 EEAERP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001409450178 1189698248 /nfs/dbraw/zinc/69/82/48/1189698248.db2.gz UUCRTKHBJJFYMX-RNXVRYNFSA-N 2 0 339.911 2.440 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259508 1190285022 /nfs/dbraw/zinc/28/50/22/1190285022.db2.gz DOLMJWXDVLHWAW-MRHSLFKSSA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccc(F)c(F)c1 ZINC001483422490 1190469631 /nfs/dbraw/zinc/46/96/31/1190469631.db2.gz WUWWPCIQPSNCCK-ZDUSSCGKSA-N 2 0 327.419 2.242 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)COC2)C(=O)C[N@H+](C)C1CCC1 ZINC001483470037 1190491966 /nfs/dbraw/zinc/49/19/66/1190491966.db2.gz HMLJOSYNHBGHBL-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1csc(C)n1 ZINC001483512046 1190525327 /nfs/dbraw/zinc/52/53/27/1190525327.db2.gz NLNMFVNWOWYYAU-INIZCTEOSA-N 2 0 338.521 2.264 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC001483571442 1190560980 /nfs/dbraw/zinc/56/09/80/1190560980.db2.gz QPAVOYHDBMKXRZ-RBUKOAKNSA-N 2 0 345.487 2.164 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001486144442 1193696468 /nfs/dbraw/zinc/69/64/68/1193696468.db2.gz HAIFXUJJGWCEFV-SCTDSRPQSA-N 2 0 337.508 2.009 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cncs2)C[C@@H]1C ZINC001483914455 1191114645 /nfs/dbraw/zinc/11/46/45/1191114645.db2.gz AECTWRIYFZEAEW-LSDHHAIUSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484006150 1191149984 /nfs/dbraw/zinc/14/99/84/1191149984.db2.gz CIWYERBCWNWIDN-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CCN(Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001484068735 1191194864 /nfs/dbraw/zinc/19/48/64/1191194864.db2.gz UXFDHYCMQNIDFL-PBHICJAKSA-N 2 0 338.883 2.156 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCc2cccs2)C1 ZINC001484084000 1191205534 /nfs/dbraw/zinc/20/55/34/1191205534.db2.gz UHELHEFQRYNBMJ-AEFFLSMTSA-N 2 0 335.517 2.213 10 0 EEAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001484252390 1191289795 /nfs/dbraw/zinc/28/97/95/1191289795.db2.gz NDWJZDGEYBVJJW-ICSRJNTNSA-N 2 0 347.503 2.031 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001484374696 1191322131 /nfs/dbraw/zinc/32/21/31/1191322131.db2.gz AZBAASSXQUUHBR-AEFFLSMTSA-N 2 0 347.503 2.221 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484541799 1191406609 /nfs/dbraw/zinc/40/66/09/1191406609.db2.gz RHYQWWSDDKYXQY-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001484546193 1191408039 /nfs/dbraw/zinc/40/80/39/1191408039.db2.gz DZVFFCHVQMWEHN-LACBQNOSSA-N 2 0 336.307 2.474 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CCC1 ZINC001484646250 1191452918 /nfs/dbraw/zinc/45/29/18/1191452918.db2.gz IYECWBHLDDEDNH-QWHCGFSZSA-N 2 0 348.318 2.293 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CC(F)(F)C3)CCC2)C1 ZINC001484660954 1191461851 /nfs/dbraw/zinc/46/18/51/1191461851.db2.gz XHLNAZJELGSIFQ-ZDUSSCGKSA-N 2 0 329.435 2.002 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC001484663590 1191463323 /nfs/dbraw/zinc/46/33/23/1191463323.db2.gz XNAYDVRJUAWSBK-UHFFFAOYSA-N 2 0 339.430 2.434 10 0 EEAERP CCC1([NH2+]CCCOC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001484815815 1191534712 /nfs/dbraw/zinc/53/47/12/1191534712.db2.gz XNJMMAQCRIVNOW-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC1CC(C[NH2+]C/C(Cl)=C\Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001485091974 1191653068 /nfs/dbraw/zinc/65/30/68/1191653068.db2.gz IRTATZYEOHVBHT-USFBHZOMSA-N 2 0 346.302 2.132 10 0 EEAERP O=C(NC1CC(C[NH2+]C/C(Cl)=C\Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001485091972 1191653079 /nfs/dbraw/zinc/65/30/79/1191653079.db2.gz IRTATZYEOHVBHT-QHMCORNMSA-N 2 0 346.302 2.132 10 0 EEAERP COc1ccc(C[NH2+]CC2CC(NC(=O)C[N@H+](C)C3CCC3)C2)cc1 ZINC001485094902 1191653956 /nfs/dbraw/zinc/65/39/56/1191653956.db2.gz VTBZXMOCTURMHO-UHFFFAOYSA-N 2 0 345.487 2.164 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001485208135 1191693867 /nfs/dbraw/zinc/69/38/67/1191693867.db2.gz OPRNLJLQQIRQAD-STQMWFEESA-N 2 0 341.883 2.370 10 0 EEAERP CCc1cnc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)o1 ZINC001485241108 1191706293 /nfs/dbraw/zinc/70/62/93/1191706293.db2.gz FASZNSGXFCUKKM-UHFFFAOYSA-N 2 0 336.480 2.048 10 0 EEAERP Cc1conc1C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485428562 1191787829 /nfs/dbraw/zinc/78/78/29/1191787829.db2.gz KDXMOAYEWFHVSM-WBVHZDCISA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001485455907 1191792110 /nfs/dbraw/zinc/79/21/10/1191792110.db2.gz AAOLUGAHEZVURQ-OAHLLOKOSA-N 2 0 325.472 2.239 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCCCC2)o1 ZINC001485458697 1191797405 /nfs/dbraw/zinc/79/74/05/1191797405.db2.gz OCTXZSFICFQIRI-MRXNPFEDSA-N 2 0 348.491 2.152 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cncs1 ZINC001485481733 1191808399 /nfs/dbraw/zinc/80/83/99/1191808399.db2.gz GLJBHYLKYAAKCH-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001486405479 1193930081 /nfs/dbraw/zinc/93/00/81/1193930081.db2.gz YFWAOKLKSFOTID-QZTJIDSGSA-N 2 0 346.519 2.495 10 0 EEAERP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001486466431 1193981405 /nfs/dbraw/zinc/98/14/05/1193981405.db2.gz JLLUOYBKSODLHG-AQFXKWCLSA-N 2 0 348.491 2.190 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001486462669 1193985585 /nfs/dbraw/zinc/98/55/85/1193985585.db2.gz HOTXEWILQUZHEI-YMAMQOFZSA-N 2 0 349.441 2.291 10 0 EEAERP C[C@@H](C(=O)NCC1=CC[N@H+](CCCF)CC1)[NH+]1CCCCCC1 ZINC001486516503 1194023011 /nfs/dbraw/zinc/02/30/11/1194023011.db2.gz JUUMJLCSYXXRSZ-INIZCTEOSA-N 2 0 325.472 2.359 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001486515987 1194035924 /nfs/dbraw/zinc/03/59/24/1194035924.db2.gz WHLFHCBFNRDUIY-MRXNPFEDSA-N 2 0 345.462 2.416 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176002 1197345014 /nfs/dbraw/zinc/34/50/14/1197345014.db2.gz ODPKSJWDCCWDAI-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCc3cccc(F)c3)CCC2)C1 ZINC001273200790 1197491786 /nfs/dbraw/zinc/49/17/86/1197491786.db2.gz GPNJWMSSONTGKL-QGZVFWFLSA-N 2 0 347.478 2.339 10 0 EEAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410167707 1197578521 /nfs/dbraw/zinc/57/85/21/1197578521.db2.gz SQSJRCAKMBCOFM-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3nocc3C)C[C@@H]2C1 ZINC001410183760 1197590551 /nfs/dbraw/zinc/59/05/51/1197590551.db2.gz MAGLQKJLUSHMHH-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2C1 ZINC001410197236 1197597858 /nfs/dbraw/zinc/59/78/58/1197597858.db2.gz WQKHAGVVATZOQP-ARFHVFGLSA-N 2 0 343.462 2.200 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@@H]2C1 ZINC001410198069 1197598936 /nfs/dbraw/zinc/59/89/36/1197598936.db2.gz XMHQXJVHRNNKNK-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001410221611 1197614033 /nfs/dbraw/zinc/61/40/33/1197614033.db2.gz SSYLPGKLBYKMLY-SHTZXODSSA-N 2 0 338.521 2.086 10 0 EEAERP CCn1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001410387718 1197786052 /nfs/dbraw/zinc/78/60/52/1197786052.db2.gz OAXPWASHXVYTDI-MRXNPFEDSA-N 2 0 349.523 2.104 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001410479228 1198028135 /nfs/dbraw/zinc/02/81/35/1198028135.db2.gz CLXAXLYWKAWVOB-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000872154961 1198063507 /nfs/dbraw/zinc/06/35/07/1198063507.db2.gz HIMJSVACGQEWDU-UHFFFAOYSA-N 2 0 346.475 2.203 10 0 EEAERP CCCc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(Cl)n1 ZINC000866010204 1198453452 /nfs/dbraw/zinc/45/34/52/1198453452.db2.gz HLULPLHSIKOALT-ZIAGYGMSSA-N 2 0 339.915 2.258 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001410908467 1198573884 /nfs/dbraw/zinc/57/38/84/1198573884.db2.gz CLSJYYXKQHQHIR-ZNMIVQPWSA-N 2 0 349.441 2.497 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\c3ccccc3)C(C)(C)C2)C1 ZINC001411016949 1198698089 /nfs/dbraw/zinc/69/80/89/1198698089.db2.gz NLTRWFOPHGITDT-AXVPCFCXSA-N 2 0 341.499 2.478 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1C ZINC001411068741 1198751513 /nfs/dbraw/zinc/75/15/13/1198751513.db2.gz LWBQFWTXLXSEEX-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001273419882 1198767399 /nfs/dbraw/zinc/76/73/99/1198767399.db2.gz IFORGFXBXVDZNT-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001411223329 1198933809 /nfs/dbraw/zinc/93/38/09/1198933809.db2.gz LWUWSHRQLPRRLA-ZDUSSCGKSA-N 2 0 326.510 2.104 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CC3CC(F)(F)C3)CC2)CC1 ZINC001411251336 1198974333 /nfs/dbraw/zinc/97/43/33/1198974333.db2.gz IKSQATCXEPIAQW-UHFFFAOYSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020333 1200410859 /nfs/dbraw/zinc/41/08/59/1200410859.db2.gz MNDDUEPRYAVFIY-VQHPVUNQSA-N 2 0 349.544 2.358 10 0 EEAERP Cc1ccccc1CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022588 1200411889 /nfs/dbraw/zinc/41/18/89/1200411889.db2.gz WMORPPOCOSQMBL-RTBURBONSA-N 2 0 331.504 2.125 10 0 EEAERP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870853162 1200911920 /nfs/dbraw/zinc/91/19/20/1200911920.db2.gz UCZKGFONEKCQTJ-CABCVRRESA-N 2 0 348.516 2.214 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000870881565 1200928839 /nfs/dbraw/zinc/92/88/39/1200928839.db2.gz ZSVSJEFXNLRKLH-JSOIOWGOSA-N 2 0 341.499 2.199 10 0 EEAERP CCO[C@@H]1CN([C@@H](CC)C(=O)N(C)c2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000866667496 1201575281 /nfs/dbraw/zinc/57/52/81/1201575281.db2.gz OEGNLTDWQJTUJB-BPQIPLTHSA-N 2 0 333.476 2.032 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC001274033954 1204338643 /nfs/dbraw/zinc/33/86/43/1204338643.db2.gz ABFBOMJOPGQKNG-WYIDIVSCSA-N 2 0 333.451 2.318 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2ccnc2)C(C)(C)C1 ZINC001274453230 1205043116 /nfs/dbraw/zinc/04/31/16/1205043116.db2.gz HYJRCDYNHXZHOA-JKSUJKDBSA-N 2 0 336.480 2.087 10 0 EEAERP Cc1ccc(CCC[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001274578681 1205086249 /nfs/dbraw/zinc/08/62/49/1205086249.db2.gz MEPZFFJGADGZOI-LLHWWHOWSA-N 2 0 329.488 2.141 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001275334803 1205311922 /nfs/dbraw/zinc/31/19/22/1205311922.db2.gz TTZIWKRNSJYLRV-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275472805 1205376203 /nfs/dbraw/zinc/37/62/03/1205376203.db2.gz XYUPLDMAPXQELG-STQMWFEESA-N 2 0 326.872 2.060 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001275685817 1205484274 /nfs/dbraw/zinc/48/42/74/1205484274.db2.gz WZCONSYAOSCGBO-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000924807390 1206034464 /nfs/dbraw/zinc/03/44/64/1206034464.db2.gz LPAVXZYJNXDXLY-HKUYNNGSSA-N 2 0 334.508 2.253 10 0 EEAERP Cc1ccccc1C[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925316355 1206095743 /nfs/dbraw/zinc/09/57/43/1206095743.db2.gz ZAWFUXIAFRHEMN-IEBWSBKVSA-N 2 0 344.503 2.305 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518069 1206121916 /nfs/dbraw/zinc/12/19/16/1206121916.db2.gz NRKVCLGLQOWTIS-YSTOQKLRSA-N 2 0 343.515 2.426 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)N2CCOCC2)o1 ZINC000925522551 1206122848 /nfs/dbraw/zinc/12/28/48/1206122848.db2.gz HCYGEFXQPXKMJD-IKGGRYGDSA-N 2 0 335.492 2.457 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1OCCO ZINC000925613536 1206135970 /nfs/dbraw/zinc/13/59/70/1206135970.db2.gz RYGMXFCCABBJDS-ZWKOTPCHSA-N 2 0 348.487 2.324 10 0 EEAERP CC1(C)[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925633184 1206138256 /nfs/dbraw/zinc/13/82/56/1206138256.db2.gz BXGQOLWVTFDZSK-YRPNKDGESA-N 2 0 343.515 2.119 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000925637714 1206138465 /nfs/dbraw/zinc/13/84/65/1206138465.db2.gz QGVXUHAREQTZPJ-OIISXLGYSA-N 2 0 330.476 2.068 10 0 EEAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925774478 1206152923 /nfs/dbraw/zinc/15/29/23/1206152923.db2.gz AMVHMNXYPKBNPR-KMFMINBZSA-N 2 0 337.414 2.077 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000925783541 1206153467 /nfs/dbraw/zinc/15/34/67/1206153467.db2.gz FLDLIRNOOVXTDL-IKGGRYGDSA-N 2 0 331.460 2.485 10 0 EEAERP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCOC1 ZINC000925778716 1206153639 /nfs/dbraw/zinc/15/36/39/1206153639.db2.gz KRHRUVGKOSTXCR-PHXBYCTMSA-N 2 0 346.471 2.274 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000925832601 1206158339 /nfs/dbraw/zinc/15/83/39/1206158339.db2.gz CIJSOMYLBSBFCW-HKUYNNGSSA-N 2 0 331.504 2.255 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC12CC[NH2+]CC2 ZINC000925852534 1206160999 /nfs/dbraw/zinc/16/09/99/1206160999.db2.gz VVSSMPSOQBJSHH-AVGNSLFASA-N 2 0 334.382 2.382 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925854583 1206161232 /nfs/dbraw/zinc/16/12/32/1206161232.db2.gz NHLQXWXVLBZEOD-GXTWGEPZSA-N 2 0 336.407 2.170 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC12CC[NH2+]CC2 ZINC000925853650 1206161343 /nfs/dbraw/zinc/16/13/43/1206161343.db2.gz QDMAUMJASFFZOP-WBMJQRKESA-N 2 0 336.382 2.227 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1OC ZINC000925859451 1206162207 /nfs/dbraw/zinc/16/22/07/1206162207.db2.gz YNOHXTSWFYVCLT-DZGCQCFKSA-N 2 0 348.443 2.040 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(OC)c1 ZINC000925859335 1206162211 /nfs/dbraw/zinc/16/22/11/1206162211.db2.gz XRDFOXWDQCEGTN-UKRRQHHQSA-N 2 0 348.443 2.040 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925859996 1206162432 /nfs/dbraw/zinc/16/24/32/1206162432.db2.gz YJABAXXLKXCTJK-ZBFHGGJFSA-N 2 0 348.418 2.314 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000925887608 1206164002 /nfs/dbraw/zinc/16/40/02/1206164002.db2.gz HYMLVYKHFUIJLW-ZAAXVRCTSA-N 2 0 348.454 2.372 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925907052 1206166484 /nfs/dbraw/zinc/16/64/84/1206166484.db2.gz WQFLUPDNTYUPJS-MSOLQXFVSA-N 2 0 347.507 2.200 10 0 EEAERP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925911228 1206167256 /nfs/dbraw/zinc/16/72/56/1206167256.db2.gz CFKAJMPGISOAHI-QGZVFWFLSA-N 2 0 347.507 2.200 10 0 EEAERP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccns1 ZINC000925937100 1206171922 /nfs/dbraw/zinc/17/19/22/1206171922.db2.gz UMLVXFQGSRXMSI-HOCLYGCPSA-N 2 0 346.500 2.083 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000927772825 1206301068 /nfs/dbraw/zinc/30/10/68/1206301068.db2.gz AEDXWQRDMJPEGU-KZNAEPCWSA-N 2 0 333.451 2.342 10 0 EEAERP CC[NH+]1CCC(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000929460165 1206476877 /nfs/dbraw/zinc/47/68/77/1206476877.db2.gz XAXGPHOSJDHCHU-UHFFFAOYSA-N 2 0 347.503 2.160 10 0 EEAERP CCn1cncc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718009612 1211700750 /nfs/dbraw/zinc/70/07/50/1211700750.db2.gz APOZXJJIHHGTMC-UHFFFAOYSA-N 2 0 342.487 2.410 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001276332196 1215749669 /nfs/dbraw/zinc/74/96/69/1215749669.db2.gz BUXOESKGWPPLNP-LLVKDONJSA-N 2 0 332.901 2.075 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001276333166 1215754232 /nfs/dbraw/zinc/75/42/32/1215754232.db2.gz PAKLWZXNTLUSRG-QZTJIDSGSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@H](CN1CCOCC1)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001412945564 1216146967 /nfs/dbraw/zinc/14/69/67/1216146967.db2.gz BFFXNIFKJLDIII-PZJWPPBQSA-N 2 0 345.531 2.409 10 0 EEAERP COCC[N@H+](C[C@@H](O)c1ccc(F)cc1C)CC1CC[NH+](C)CC1 ZINC001413041740 1217019373 /nfs/dbraw/zinc/01/93/73/1217019373.db2.gz PSNXQSHMMZVDGC-LJQANCHMSA-N 2 0 338.467 2.458 10 0 EEAERP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[C@H]1CCOC1 ZINC001413048399 1217953240 /nfs/dbraw/zinc/95/32/40/1217953240.db2.gz AGWWKIJEZBEMCN-WOZUAGRISA-N 2 0 344.499 2.492 10 0 EEAERP C1CO[C@H]([C@@H]2C[C@H](c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)CC[NH2+]2)C1 ZINC000900017245 1233977973 /nfs/dbraw/zinc/97/79/73/1233977973.db2.gz ZZJUAIOMAYTIGC-DPZMZDEHSA-N 2 0 332.448 2.082 10 0 EEAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC001413185099 1234556577 /nfs/dbraw/zinc/55/65/77/1234556577.db2.gz GQKSLRRPARNGFR-RCCFBDPRSA-N 2 0 329.488 2.353 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1cccs1 ZINC000900825700 1234870572 /nfs/dbraw/zinc/87/05/72/1234870572.db2.gz AJOYWQNKYFCLSA-GOEBONIOSA-N 2 0 333.501 2.343 10 0 EEAERP COC1CC[NH+](CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900980317 1235074027 /nfs/dbraw/zinc/07/40/27/1235074027.db2.gz JMQWQXJATKGAEC-UHFFFAOYSA-N 2 0 344.459 2.131 10 0 EEAERP CCc1ccc(CC[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001276379851 1249418527 /nfs/dbraw/zinc/41/85/27/1249418527.db2.gz VUTNUEIVABPQGS-IBGZPJMESA-N 2 0 331.504 2.181 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902957493 1239191762 /nfs/dbraw/zinc/19/17/62/1239191762.db2.gz IVXRAEVOHTYMGP-ZHALLVOQSA-N 2 0 331.504 2.242 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000903440844 1240481739 /nfs/dbraw/zinc/48/17/39/1240481739.db2.gz FEAJJJOSUAWUGU-DOTOQJQBSA-N 2 0 337.895 2.464 10 0 EEAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755693 1241845537 /nfs/dbraw/zinc/84/55/37/1241845537.db2.gz KOEYGQNQRWZYHX-QKLQHJQFSA-N 2 0 340.471 2.269 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](Cc2cccc(O)c2)CC2CC2)cnn1C ZINC000903889083 1242343208 /nfs/dbraw/zinc/34/32/08/1242343208.db2.gz OIERBVHRKHNPDL-GOSISDBHSA-N 2 0 342.487 2.464 10 0 EEAERP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903927468 1242528661 /nfs/dbraw/zinc/52/86/61/1242528661.db2.gz YKZKOCYPFFYXPR-HLLBOEOZSA-N 2 0 335.496 2.134 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc(C(C)(C)C)s1)C2 ZINC000903978275 1242833087 /nfs/dbraw/zinc/83/30/87/1242833087.db2.gz CZXKZIFADFXECT-JKDFXYPNSA-N 2 0 337.489 2.153 10 0 EEAERP CCc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001491081100 1258647185 /nfs/dbraw/zinc/64/71/85/1258647185.db2.gz XDNMEJSJGZIBTH-KDURUIRLSA-N 2 0 331.504 2.369 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF)[NH+]1CCCC1 ZINC001491236760 1258828708 /nfs/dbraw/zinc/82/87/08/1258828708.db2.gz OPQMJFMNSIBBHE-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1conc1C[NH2+]C1CCC(NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001491363737 1258994003 /nfs/dbraw/zinc/99/40/03/1258994003.db2.gz AMQMZBGJPGFONP-QQFBHYJXSA-N 2 0 345.447 2.348 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001491472524 1259117405 /nfs/dbraw/zinc/11/74/05/1259117405.db2.gz CERQYGOJRJIEPB-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001491478586 1259128951 /nfs/dbraw/zinc/12/89/51/1259128951.db2.gz QWGGATHDSXYQOS-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850227899 1277103633 /nfs/dbraw/zinc/10/36/33/1277103633.db2.gz DJMQDZUDRWWJQX-UHFFFAOYSA-N 2 0 343.431 2.224 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001489346873 1290530697 /nfs/dbraw/zinc/53/06/97/1290530697.db2.gz GCZPERZOLDCRTJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852107673 1291994882 /nfs/dbraw/zinc/99/48/82/1291994882.db2.gz OAPSIIUYCLWAFN-OALUTQOASA-N 2 0 340.508 2.279 10 0 EEAERP C[C@H]1C[C@H](NC(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852866571 1292220831 /nfs/dbraw/zinc/22/08/31/1292220831.db2.gz XYTZREQCOWZAHX-QFBILLFUSA-N 2 0 327.472 2.466 10 0 EEAERP C[N@@H+]1CC[C@@H](NC2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178916 1294034137 /nfs/dbraw/zinc/03/41/37/1294034137.db2.gz UUBZHNAAWNUCNO-MRXNPFEDSA-N 2 0 331.460 2.470 10 0 EEAERP C[C@@H](c1cccc(F)c1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549759 1296329532 /nfs/dbraw/zinc/32/95/32/1296329532.db2.gz IQHQHBOBGWZOGN-VUCTXSBTSA-N 2 0 333.407 2.144 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC001281526719 1303936979 /nfs/dbraw/zinc/93/69/79/1303936979.db2.gz HMTXVKBEXAQEEU-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000694751947 1304134950 /nfs/dbraw/zinc/13/49/50/1304134950.db2.gz KWYXDRMAYVJMOP-OTYNDTSQSA-N 2 0 342.531 2.017 10 0 EEAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277693592 1304197432 /nfs/dbraw/zinc/19/74/32/1304197432.db2.gz LYNZTLQAHMDGRT-MAUKXSAKSA-N 2 0 327.488 2.436 10 0 EEAERP [NH3+]CCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001118544055 1308881699 /nfs/dbraw/zinc/88/16/99/1308881699.db2.gz CBZJXJJMILSTHO-GOSISDBHSA-N 2 0 344.503 2.327 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000839005842 1315199804 /nfs/dbraw/zinc/19/98/04/1315199804.db2.gz BEUIORXROSMVHA-GOSISDBHSA-N 2 0 348.487 2.322 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc(-c3ccc(C[NH3+])cc3)n2)ccn1 ZINC000843192766 1315863988 /nfs/dbraw/zinc/86/39/88/1315863988.db2.gz ZFBROWUFQWKCQZ-UHFFFAOYSA-N 2 0 339.399 2.198 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)n1 ZINC000843505015 1315924932 /nfs/dbraw/zinc/92/49/32/1315924932.db2.gz UBEYISVVKJZUIU-KGLIPLIRSA-N 2 0 336.867 2.224 10 0 EEAERP CCN(C)[C@@H](C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC001263529789 1322488202 /nfs/dbraw/zinc/48/82/02/1322488202.db2.gz QHTRBDFZBTXOMD-FUHWJXTLSA-N 2 0 334.460 2.333 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)on1 ZINC001263957802 1322570045 /nfs/dbraw/zinc/57/00/45/1322570045.db2.gz JAPZJEFGSRUAJP-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001264567248 1322733652 /nfs/dbraw/zinc/73/36/52/1322733652.db2.gz ZSHXWUSHRVZLOA-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)=CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001264666264 1322773455 /nfs/dbraw/zinc/77/34/55/1322773455.db2.gz JWDUBUHPNWNNHO-ROUUACIJSA-N 2 0 339.524 2.090 10 0 EEAERP Cn1cc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C2CCCC2)cn1 ZINC001265004662 1322851227 /nfs/dbraw/zinc/85/12/27/1322851227.db2.gz VCNWXNCXFXZRGY-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265058109 1322898820 /nfs/dbraw/zinc/89/88/20/1322898820.db2.gz IKDQQRZSXRFOII-UITAMQMPSA-N 2 0 327.472 2.234 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](Cc2cncc(F)c2)C2CC2)C1 ZINC001265175633 1322967392 /nfs/dbraw/zinc/96/73/92/1322967392.db2.gz KJWIEQDVINXCNH-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCOC(C)C)C2)C1 ZINC001265299859 1323052007 /nfs/dbraw/zinc/05/20/07/1323052007.db2.gz VHZKOBBIYTVUSM-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1F)C1CCC1 ZINC001265863069 1323435973 /nfs/dbraw/zinc/43/59/73/1323435973.db2.gz RFSXVKJQRUWNBS-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CC(F)(F)C1 ZINC001265871950 1323444502 /nfs/dbraw/zinc/44/45/02/1323444502.db2.gz JRLUIUMPPBZMSU-HOTGVXAUSA-N 2 0 343.462 2.487 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266028641 1323579133 /nfs/dbraw/zinc/57/91/33/1323579133.db2.gz ARRCBPUISBTQET-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001266113844 1323681299 /nfs/dbraw/zinc/68/12/99/1323681299.db2.gz SWHCFHOUQORDDI-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1 ZINC001266155515 1323724625 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ZINC001321108243 1333020616 /nfs/dbraw/zinc/02/06/16/1333020616.db2.gz DWUCMRYUABSIQY-LXJMMZIJSA-N 2 0 343.515 2.394 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)n1 ZINC001321248640 1333054462 /nfs/dbraw/zinc/05/44/62/1333054462.db2.gz CQSFVKRMVLNRDO-BQYQJAHWSA-N 2 0 346.519 2.438 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321285197 1333064377 /nfs/dbraw/zinc/06/43/77/1333064377.db2.gz JWFKNVNHPKLSQM-JIYQYTEPSA-N 2 0 348.516 2.230 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001321522557 1333117685 /nfs/dbraw/zinc/11/76/85/1333117685.db2.gz NDCGSTQWKAUULV-ZHALLVOQSA-N 2 0 347.503 2.117 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321642100 1333136491 /nfs/dbraw/zinc/13/64/91/1333136491.db2.gz RVAUAVKFJPJSQI-MRXNPFEDSA-N 2 0 331.504 2.228 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001321969487 1333188451 /nfs/dbraw/zinc/18/84/51/1333188451.db2.gz VCDIURMHMNWYCR-INIZCTEOSA-N 2 0 331.504 2.228 10 0 EEAERP CO[C@@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001322650930 1333300692 /nfs/dbraw/zinc/30/06/92/1333300692.db2.gz HRIVICZFQZIXHG-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nccs1 ZINC001322724239 1333314313 /nfs/dbraw/zinc/31/43/13/1333314313.db2.gz PFGHUTXJQDTOFU-HNNXBMFYSA-N 2 0 338.521 2.344 10 0 EEAERP CCn1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001322724381 1333314400 /nfs/dbraw/zinc/31/44/00/1333314400.db2.gz PUMOSCFRPZCJPF-SFHVURJKSA-N 2 0 349.523 2.104 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001322852577 1333342189 /nfs/dbraw/zinc/34/21/89/1333342189.db2.gz RODIMPXFSIEYPQ-KRWDZBQOSA-N 2 0 336.480 2.123 10 0 EEAERP Cc1c(C(=O)NCC2([NH2+]Cc3cncs3)CC2)ccc2c[nH+]cn21 ZINC001323480469 1333472938 /nfs/dbraw/zinc/47/29/38/1333472938.db2.gz UQTGVGHVQGJOEN-UHFFFAOYSA-N 2 0 341.440 2.151 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCCCCF)C2)C1 ZINC001323843102 1333552523 /nfs/dbraw/zinc/55/25/23/1333552523.db2.gz DMKGQCJYJIRGBV-AEFFLSMTSA-N 2 0 325.472 2.145 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001327165059 1334238763 /nfs/dbraw/zinc/23/87/63/1334238763.db2.gz ZOGNPCBBLDYQMT-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001327903586 1334361917 /nfs/dbraw/zinc/36/19/17/1334361917.db2.gz OTDCVIHMLYSHHN-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001329845985 1334726011 /nfs/dbraw/zinc/72/60/11/1334726011.db2.gz NVYABTSIGFKFIA-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001330953076 1334934102 /nfs/dbraw/zinc/93/41/02/1334934102.db2.gz BTAJDKDBDUKKSS-CZUORRHYSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330977146 1334939414 /nfs/dbraw/zinc/93/94/14/1334939414.db2.gz OVVHNIWNKUGDPG-SJLPKXTDSA-N 2 0 346.519 2.079 10 0 EEAERP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001331471077 1335019617 /nfs/dbraw/zinc/01/96/17/1335019617.db2.gz WKJQYUACEUANJP-ZDUSSCGKSA-N 2 0 338.883 2.156 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCc1ccccc1)C(C)(C)C ZINC001332777270 1335904729 /nfs/dbraw/zinc/90/47/29/1335904729.db2.gz ULFGWDHHYDNVER-MSOLQXFVSA-N 2 0 331.504 2.444 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001666161808 1355471731 /nfs/dbraw/zinc/47/17/31/1355471731.db2.gz FVJCCYXORMHYAX-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001666162627 1355472097 /nfs/dbraw/zinc/47/20/97/1355472097.db2.gz RAWOJIDATKNPDS-AWEZNQCLSA-N 2 0 337.430 2.499 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+]2CC[C@H](F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001433993907 1341740006 /nfs/dbraw/zinc/74/00/06/1341740006.db2.gz PTSIBTLUQDPMLU-HKUYNNGSSA-N 2 0 347.478 2.401 10 0 EEAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001434510103 1341861938 /nfs/dbraw/zinc/86/19/38/1341861938.db2.gz QGLPPXQUXKUXAO-UHFFFAOYSA-N 2 0 330.432 2.036 10 0 EEAERP CC[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](C)[NH+](C)C ZINC001434631725 1341891588 /nfs/dbraw/zinc/89/15/88/1341891588.db2.gz JYUZXUDLMQJIAR-NXOAAHMSSA-N 2 0 348.539 2.415 10 0 EEAERP COCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001506576710 1342256428 /nfs/dbraw/zinc/25/64/28/1342256428.db2.gz VAXYNYVFJAQDOF-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001566757750 1342624819 /nfs/dbraw/zinc/62/48/19/1342624819.db2.gz NPZIRUSMZLEUBO-INDMIFKZSA-N 2 0 349.519 2.105 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCc2ccc(CC[NH2+]CCF)cc2)CC[N@@H+]1C ZINC001567183540 1342706661 /nfs/dbraw/zinc/70/66/61/1342706661.db2.gz GUETYBAVAWJNQF-YJBOKZPZSA-N 2 0 335.467 2.135 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(N(C)C)c1 ZINC001567504407 1342773699 /nfs/dbraw/zinc/77/36/99/1342773699.db2.gz JMOYFRFCUAVDRL-LJQANCHMSA-N 2 0 346.519 2.175 10 0 EEAERP C[C@@H]1CCCC[C@H]1OCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507532 1342775280 /nfs/dbraw/zinc/77/52/80/1342775280.db2.gz FCDYTVYGZZGRKT-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1F ZINC001567610614 1342793551 /nfs/dbraw/zinc/79/35/51/1342793551.db2.gz GLCNVKGBSUHMJC-OKILXGFUSA-N 2 0 339.430 2.386 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001569846568 1342957437 /nfs/dbraw/zinc/95/74/37/1342957437.db2.gz CCKFJPAAHQQDDR-STQMWFEESA-N 2 0 336.307 2.331 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001570019210 1343001539 /nfs/dbraw/zinc/00/15/39/1343001539.db2.gz OXWIVYCZLPDISC-MOPGFXCFSA-N 2 0 329.488 2.275 10 0 EEAERP Cc1ccc(C[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)cc1F ZINC001677599250 1357368340 /nfs/dbraw/zinc/36/83/40/1357368340.db2.gz WLQOTWBZGKHHJU-UHFFFAOYSA-N 2 0 333.451 2.334 10 0 EEAERP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001645633709 1352793616 /nfs/dbraw/zinc/79/36/16/1352793616.db2.gz ZODSOFWDKYROHL-DLBZAZTESA-N 2 0 336.455 2.210 10 0 EEAERP CC(C)(CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC001645892684 1352807425 /nfs/dbraw/zinc/80/74/25/1352807425.db2.gz JIYGVPWVGSJUMU-ROUUACIJSA-N 2 0 329.488 2.457 10 0 EEAERP CC(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3)n2CC2CC2)CC1 ZINC001646923664 1353049512 /nfs/dbraw/zinc/04/95/12/1353049512.db2.gz PISJDGJCIWLBOG-UHFFFAOYSA-N 2 0 346.523 2.204 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(F)cc1 ZINC001647113802 1353149065 /nfs/dbraw/zinc/14/90/65/1353149065.db2.gz CKNOVJLFLCEGCB-RYQLBKOJSA-N 2 0 346.450 2.107 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001649839041 1353621985 /nfs/dbraw/zinc/62/19/85/1353621985.db2.gz WLAVMTFDNZPNBY-DLBZAZTESA-N 2 0 348.466 2.260 10 0 EEAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001649857140 1353628407 /nfs/dbraw/zinc/62/84/07/1353628407.db2.gz XHIDPOFHYGQELH-ZWKOTPCHSA-N 2 0 331.460 2.099 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001660281353 1354430052 /nfs/dbraw/zinc/43/00/52/1354430052.db2.gz AQILDPJOKJIZQN-SFHVURJKSA-N 2 0 329.488 2.454 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@H+](Cc2ccc(F)cn2)C2CC2)CCC1 ZINC001660691115 1354517413 /nfs/dbraw/zinc/51/74/13/1354517413.db2.gz KATKTAKGTJRKOE-UHFFFAOYSA-N 2 0 348.466 2.176 10 0 EEAERP O=C(NCCCN(Cc1ccon1)C1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660731472 1354527787 /nfs/dbraw/zinc/52/77/87/1354527787.db2.gz DYIUGVJDJPNLAU-ROUUACIJSA-N 2 0 346.475 2.162 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2nccs2)C1 ZINC001661514821 1354648113 /nfs/dbraw/zinc/64/81/13/1354648113.db2.gz CCMKSVWECAPKJB-SHTZXODSSA-N 2 0 336.505 2.146 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661556598 1354659114 /nfs/dbraw/zinc/65/91/14/1354659114.db2.gz WNHBQLOTOWHCFU-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001663105267 1354915690 /nfs/dbraw/zinc/91/56/90/1354915690.db2.gz SFHCILRJROKYAN-NVXWUHKLSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931100 1355056474 /nfs/dbraw/zinc/05/64/74/1355056474.db2.gz BXDNWFGCBJKCJF-SFHVURJKSA-N 2 0 344.503 2.284 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)CCC[NH+]1CCCC1 ZINC001664391163 1355152880 /nfs/dbraw/zinc/15/28/80/1355152880.db2.gz CGRQYQCWXVIVRU-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cnn(C)c1 ZINC001664510730 1355182351 /nfs/dbraw/zinc/18/23/51/1355182351.db2.gz VSJIBTNHLGGOJI-SFHVURJKSA-N 2 0 349.523 2.010 10 0 EEAERP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001665743063 1355381512 /nfs/dbraw/zinc/38/15/12/1355381512.db2.gz TWINZPWFTTWRBG-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CCc3cncn3C2)CCCC1 ZINC001665934018 1355412178 /nfs/dbraw/zinc/41/21/78/1355412178.db2.gz VYGSPOVTWRNHLO-INIZCTEOSA-N 2 0 330.476 2.430 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)no1 ZINC001666219580 1355488078 /nfs/dbraw/zinc/48/80/78/1355488078.db2.gz VMYPIJZDTDDNQY-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001666568140 1355546200 /nfs/dbraw/zinc/54/62/00/1355546200.db2.gz IWLSZKPHGXBCNO-BBRMVZONSA-N 2 0 340.899 2.163 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667034653 1355636488 /nfs/dbraw/zinc/63/64/88/1355636488.db2.gz WZYPSVWJCPXFDB-HNNXBMFYSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001667998574 1355844873 /nfs/dbraw/zinc/84/48/73/1355844873.db2.gz CUKYVIMSTCZSTR-MLGOLLRUSA-N 2 0 325.403 2.043 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001668108018 1355872737 /nfs/dbraw/zinc/87/27/37/1355872737.db2.gz YCDBUZFEOZOPDB-MLGOLLRUSA-N 2 0 327.419 2.289 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccns2)C1 ZINC001668178492 1355892365 /nfs/dbraw/zinc/89/23/65/1355892365.db2.gz GCFRWVHYIDIXQL-CABCVRRESA-N 2 0 338.521 2.250 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001669388805 1356153908 /nfs/dbraw/zinc/15/39/08/1356153908.db2.gz VCDIURMHMNWYCR-MRXNPFEDSA-N 2 0 331.504 2.228 10 0 EEAERP Cc1ccncc1C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001671685318 1356395086 /nfs/dbraw/zinc/39/50/86/1356395086.db2.gz YULJIWWNNPXAHB-LJQANCHMSA-N 2 0 332.492 2.203 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001671805033 1356418015 /nfs/dbraw/zinc/41/80/15/1356418015.db2.gz KUWLFDXNVDXRHO-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2nc(C)cs2)C1)[NH+](C)C ZINC001672863908 1356602550 /nfs/dbraw/zinc/60/25/50/1356602550.db2.gz UMFAZTHSSDVNCK-CABCVRRESA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)CC1 ZINC001673401648 1356685875 /nfs/dbraw/zinc/68/58/75/1356685875.db2.gz FYMKVMGPTCPSIY-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP CC1CC[NH+](CC(=O)NC2CC(C[NH2+]CCc3ccccc3)C2)CC1 ZINC001674592659 1356861523 /nfs/dbraw/zinc/86/15/23/1356861523.db2.gz RDLXGLUGKBRIQA-UHFFFAOYSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC/C=C\c1ccccc1 ZINC001698771227 1405052659 /nfs/dbraw/zinc/05/26/59/1405052659.db2.gz DXFRIDVEIODQPV-QXAZJNSLSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001698838290 1405101144 /nfs/dbraw/zinc/10/11/44/1405101144.db2.gz VUEPRHZPZIUDJX-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001699331778 1405337727 /nfs/dbraw/zinc/33/77/27/1405337727.db2.gz GVTYPTUGNQHZJX-IPLHWJFFSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@H]([NH2+]Cc1ccccn1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699947489 1405598086 /nfs/dbraw/zinc/59/80/86/1405598086.db2.gz DZQAUXQWMDBBTJ-IRXDYDNUSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)C[C@@H]([NH3+])c1noc([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000842586787 769687279 /nfs/dbraw/zinc/68/72/79/769687279.db2.gz PXTQAVSJJFCRIM-CRAIPNDOSA-N 2 0 330.432 2.209 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000921161867 770987302 /nfs/dbraw/zinc/98/73/02/770987302.db2.gz GFEFHIVDCTVSQO-JFIYKMOQSA-N 2 0 332.492 2.289 10 0 EEAERP C[C@H](CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000921161868 770988008 /nfs/dbraw/zinc/98/80/08/770988008.db2.gz GFEFHIVDCTVSQO-NUJGCVRESA-N 2 0 332.492 2.289 10 0 EEAERP COC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000925811845 777587146 /nfs/dbraw/zinc/58/71/46/777587146.db2.gz SRBMCBWANWBMKG-INIZCTEOSA-N 2 0 345.409 2.406 10 0 EEAERP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908327081 785349818 /nfs/dbraw/zinc/34/98/18/785349818.db2.gz ABCRFLPKQSPPKL-UHFFFAOYSA-N 2 0 346.475 2.153 10 0 EEAERP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000819195858 785457350 /nfs/dbraw/zinc/45/73/50/785457350.db2.gz LPBNLHLHPUUJGR-SFHVURJKSA-N 2 0 329.444 2.154 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000844204906 788923954 /nfs/dbraw/zinc/92/39/54/788923954.db2.gz RKXHNVBQHVSABW-HNNXBMFYSA-N 2 0 338.883 2.234 10 0 EEAERP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923399256 789498564 /nfs/dbraw/zinc/49/85/64/789498564.db2.gz CQSVLLFSJLTSNJ-QSJNVLDBSA-N 2 0 339.277 2.478 10 0 EEAERP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450352 789581124 /nfs/dbraw/zinc/58/11/24/789581124.db2.gz GRWZALQZVUUGNY-RDJZCZTQSA-N 2 0 345.487 2.406 10 0 EEAERP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923453309 789586941 /nfs/dbraw/zinc/58/69/41/789586941.db2.gz AENMHADAKOUJEU-RDJZCZTQSA-N 2 0 331.460 2.152 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923490757 789660925 /nfs/dbraw/zinc/66/09/25/789660925.db2.gz OUUJUKAYDMLGIL-JDMOEDKQSA-N 2 0 332.444 2.168 10 0 EEAERP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498813 789681711 /nfs/dbraw/zinc/68/17/11/789681711.db2.gz LSMRPKYRWXRERX-VGWMRTNUSA-N 2 0 333.476 2.178 10 0 EEAERP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921626676 790148657 /nfs/dbraw/zinc/14/86/57/790148657.db2.gz AWIDRWXSBORXCM-JENIJYKNSA-N 2 0 335.536 2.340 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000913951774 794645866 /nfs/dbraw/zinc/64/58/66/794645866.db2.gz MSNRUBDOUVYPJB-QAPCUYQASA-N 2 0 330.476 2.174 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000914083112 794848124 /nfs/dbraw/zinc/84/81/24/794848124.db2.gz OTCNQONIBPZJKF-BPQIPLTHSA-N 2 0 330.476 2.215 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921686791 794901803 /nfs/dbraw/zinc/90/18/03/794901803.db2.gz YKLLJIAGZRFLRW-ZDUSSCGKSA-N 2 0 339.915 2.304 10 0 EEAERP [NH3+]C1CC(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000714995871 795184859 /nfs/dbraw/zinc/18/48/59/795184859.db2.gz OXEUMUONMLUGFP-UGXKVIGPSA-N 2 0 327.472 2.237 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000915134986 795670053 /nfs/dbraw/zinc/67/00/53/795670053.db2.gz ANYCGONTDXQGBB-ZWKOTPCHSA-N 2 0 330.476 2.044 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922175173 799645134 /nfs/dbraw/zinc/64/51/34/799645134.db2.gz LGQZIEZGHXHCSU-UHFFFAOYSA-N 2 0 327.538 2.148 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182567960 801247853 /nfs/dbraw/zinc/24/78/53/801247853.db2.gz BSAJAFBMXYBHDP-AWEZNQCLSA-N 2 0 334.383 2.127 10 0 EEAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001565986978 1125483602 /nfs/dbraw/zinc/48/36/02/1125483602.db2.gz VYVCYTQCRLQXGS-SJLPKXTDSA-N 2 0 349.523 2.075 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001436915337 1088574469 /nfs/dbraw/zinc/57/44/69/1088574469.db2.gz PIRZRCMJUHXEOW-BZSNNMDCSA-N 2 0 335.467 2.389 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)CCO1 ZINC001436916607 1088576549 /nfs/dbraw/zinc/57/65/49/1088576549.db2.gz SVYXCXIJMMYRNE-QAETUUGQSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001436933834 1088605825 /nfs/dbraw/zinc/60/58/25/1088605825.db2.gz FJSINDLWVDECJL-RBSFLKMASA-N 2 0 331.451 2.389 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001436967670 1088661056 /nfs/dbraw/zinc/66/10/56/1088661056.db2.gz YYKXGENJEFXBOZ-OTWHNJEPSA-N 2 0 331.504 2.369 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001437053974 1088947866 /nfs/dbraw/zinc/94/78/66/1088947866.db2.gz YPXHRSBDRJBYTD-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437217357 1089297889 /nfs/dbraw/zinc/29/78/89/1089297889.db2.gz UPBLUTCDKPWBFA-GFCCVEGCSA-N 2 0 338.521 2.086 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001437307040 1089462905 /nfs/dbraw/zinc/46/29/05/1089462905.db2.gz DDLNPRHESYIEOL-OAHLLOKOSA-N 2 0 329.444 2.323 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001437336917 1089524597 /nfs/dbraw/zinc/52/45/97/1089524597.db2.gz MPKOLOSBBSMKDL-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001437379204 1089625137 /nfs/dbraw/zinc/62/51/37/1089625137.db2.gz YORCDRJICAZLBO-YOEHRIQHSA-N 2 0 333.476 2.082 10 0 EEAERP Cc1ccc(CC[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001437511490 1089909333 /nfs/dbraw/zinc/90/93/33/1089909333.db2.gz QZZVSQLFPSGMHU-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001437840419 1090425471 /nfs/dbraw/zinc/42/54/71/1090425471.db2.gz NKMQCFSRXNVWPC-MRXNPFEDSA-N 2 0 347.507 2.014 10 0 EEAERP CC(C)c1ocnc1C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437939291 1090531543 /nfs/dbraw/zinc/53/15/43/1090531543.db2.gz FUCXGTXBDFHQLK-HNNXBMFYSA-N 2 0 336.480 2.078 10 0 EEAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)C1)[NH+](C)C ZINC001437946605 1090542840 /nfs/dbraw/zinc/54/28/40/1090542840.db2.gz KDIBSFGNKCSVKA-IEBWSBKVSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001438143846 1090664626 /nfs/dbraw/zinc/66/46/26/1090664626.db2.gz MONBVOULFWLSNI-HNNXBMFYSA-N 2 0 340.471 2.058 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001438242971 1090723866 /nfs/dbraw/zinc/72/38/66/1090723866.db2.gz PPNODUJDCLNFJQ-YLJYHZDGSA-N 2 0 343.515 2.276 10 0 EEAERP CCc1nc(C)c(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)o1 ZINC001438404783 1090891400 /nfs/dbraw/zinc/89/14/00/1090891400.db2.gz QJAMLXYWBMJPCL-UHFFFAOYSA-N 2 0 336.480 2.016 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCC(C)(C)C)CCO1 ZINC001438576600 1091062710 /nfs/dbraw/zinc/06/27/10/1091062710.db2.gz XWZKZNMDSBWAEC-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2ncc(C)s2)CC[N@@H+]1C ZINC001438656955 1091144525 /nfs/dbraw/zinc/14/45/25/1091144525.db2.gz XFMWCLZFURFVCO-VHDGCEQUSA-N 2 0 338.521 2.118 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001438667157 1091156692 /nfs/dbraw/zinc/15/66/92/1091156692.db2.gz NCEJJDLJDFCKLX-IUODEOHRSA-N 2 0 326.872 2.012 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001438686173 1091187003 /nfs/dbraw/zinc/18/70/03/1091187003.db2.gz RFAKPBRHCVGNGI-WBVHZDCISA-N 2 0 347.503 2.282 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1C ZINC001445498763 1091276041 /nfs/dbraw/zinc/27/60/41/1091276041.db2.gz IGFGYEHKSQXYHP-CRAIPNDOSA-N 2 0 347.503 2.472 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1sc(C)nc1C ZINC001445499035 1091276547 /nfs/dbraw/zinc/27/65/47/1091276547.db2.gz JTMSHAAJYHPYCM-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC001438762840 1091335374 /nfs/dbraw/zinc/33/53/74/1091335374.db2.gz BXPOZFSVNYNAAI-XJKSGUPXSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001438773097 1091360391 /nfs/dbraw/zinc/36/03/91/1091360391.db2.gz MXIRFPZQSYEYPV-QGBLLJAOSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(C)s1 ZINC001438775658 1091365672 /nfs/dbraw/zinc/36/56/72/1091365672.db2.gz QAXZLNZBMZFIPK-SWLSCSKDSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C)sn1 ZINC001438782018 1091379326 /nfs/dbraw/zinc/37/93/26/1091379326.db2.gz YMLIMWDPMCOSCG-CJNGLKHVSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\c1ccccc1 ZINC001438835985 1091463675 /nfs/dbraw/zinc/46/36/75/1091463675.db2.gz CMOFANBRJZNTQI-DBRSDMAZSA-N 2 0 329.488 2.382 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439138607 1091782104 /nfs/dbraw/zinc/78/21/04/1091782104.db2.gz KLEXEUYFVYIBCZ-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP CCc1ccccc1CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445868922 1091791418 /nfs/dbraw/zinc/79/14/18/1091791418.db2.gz LSVQFOMZAJEHQB-QGZVFWFLSA-N 2 0 331.504 2.324 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001445871423 1091796186 /nfs/dbraw/zinc/79/61/86/1091796186.db2.gz PUIABDAXHJHCIC-VQIMIIECSA-N 2 0 331.504 2.180 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001439182865 1091831720 /nfs/dbraw/zinc/83/17/20/1091831720.db2.gz VFQBYWVEZSRIOK-MLGOLLRUSA-N 2 0 338.521 2.229 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccc(C3CC3)cc2)CC1)C12CC[NH+](CC1)C2 ZINC001446269189 1092416613 /nfs/dbraw/zinc/41/66/13/1092416613.db2.gz WPUUTSWUZDEYBC-UHFFFAOYSA-N 2 0 339.483 2.398 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001439562466 1092441916 /nfs/dbraw/zinc/44/19/16/1092441916.db2.gz RKIUEGMBSWRCLH-JKSUJKDBSA-N 2 0 343.462 2.344 10 0 EEAERP O=C(NCC1([NH2+]CCC(F)(F)F)CC1)C12CCC[NH+](CCC1)C2 ZINC001439623204 1092534267 /nfs/dbraw/zinc/53/42/67/1092534267.db2.gz DNOLSLLNNNPOPJ-UHFFFAOYSA-N 2 0 333.398 2.053 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001446338129 1092547050 /nfs/dbraw/zinc/54/70/50/1092547050.db2.gz XBBGJPGSFICAFV-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+][C@@H]3CCc4ccccc43)CC2)CC1 ZINC001439640172 1092563311 /nfs/dbraw/zinc/56/33/11/1092563311.db2.gz ICKSXTGHKNBIOW-GOSISDBHSA-N 2 0 327.472 2.254 10 0 EEAERP CC[C@@H](F)C[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001439690423 1092637001 /nfs/dbraw/zinc/63/70/01/1092637001.db2.gz PLDDKXKRJBQAMM-MRXNPFEDSA-N 2 0 327.488 2.389 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2cnc(C)s2)CC1 ZINC001439808669 1092771382 /nfs/dbraw/zinc/77/13/82/1092771382.db2.gz RZLDRHRXVIOMNG-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1)[NH+](C)C ZINC001440282985 1093404449 /nfs/dbraw/zinc/40/44/49/1093404449.db2.gz CEMSIGBUKGMKFU-UWWQBHOKSA-N 2 0 335.467 2.459 10 0 EEAERP CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001448478282 1093497084 /nfs/dbraw/zinc/49/70/84/1093497084.db2.gz JRTNSPOLZOWXLN-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C/Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001448494388 1093521341 /nfs/dbraw/zinc/52/13/41/1093521341.db2.gz IRTATZYEOHVBHT-HTLLRWCHSA-N 2 0 346.302 2.132 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001440385993 1093557811 /nfs/dbraw/zinc/55/78/11/1093557811.db2.gz IKEUBSHSFGSUSE-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@H](C[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)OC ZINC001440470386 1093696744 /nfs/dbraw/zinc/69/67/44/1093696744.db2.gz GPWUCHOYOHZJTA-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1N(C)C ZINC001448679719 1093745805 /nfs/dbraw/zinc/74/58/05/1093745805.db2.gz GYWGJOWNJIIDOA-VQIMIIECSA-N 2 0 346.519 2.173 10 0 EEAERP CC[N@@H+](Cc1cccnc1)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001440706358 1093955328 /nfs/dbraw/zinc/95/53/28/1093955328.db2.gz LXPBPEYCPDZMMA-UHFFFAOYSA-N 2 0 346.519 2.482 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001448975483 1093978932 /nfs/dbraw/zinc/97/89/32/1093978932.db2.gz FKGRBNJCYOEFIX-WMLDXEAASA-N 2 0 337.895 2.413 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C(C)C)cc1 ZINC001440748810 1093994479 /nfs/dbraw/zinc/99/44/79/1093994479.db2.gz MVMOTZPSXFEEOL-GOSISDBHSA-N 2 0 347.503 2.458 10 0 EEAERP Cc1cncc(C[NH2+]CC2CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001440758589 1094000757 /nfs/dbraw/zinc/00/07/57/1094000757.db2.gz OABHTVOFCCTMIU-KVZIAJEVSA-N 2 0 344.503 2.249 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440792755 1094034408 /nfs/dbraw/zinc/03/44/08/1094034408.db2.gz AKBUUEKXJHRDOQ-CABCVRRESA-N 2 0 348.466 2.080 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001449031607 1094041664 /nfs/dbraw/zinc/04/16/64/1094041664.db2.gz FBHVRFQSKQHDKE-OTWHNJEPSA-N 2 0 344.503 2.139 10 0 EEAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001449077136 1094091589 /nfs/dbraw/zinc/09/15/89/1094091589.db2.gz JFMSBLLNTDGCAF-ZFWWWQNUSA-N 2 0 349.441 2.353 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)C1 ZINC001449078087 1094091908 /nfs/dbraw/zinc/09/19/08/1094091908.db2.gz AXAURAJJAOZQME-CHWSQXEVSA-N 2 0 335.414 2.107 10 0 EEAERP CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001449087361 1094100730 /nfs/dbraw/zinc/10/07/30/1094100730.db2.gz UHRQFMZHRPGQFV-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001441032266 1094322890 /nfs/dbraw/zinc/32/28/90/1094322890.db2.gz IOKUEZCPCKMOFF-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC001441110406 1094424748 /nfs/dbraw/zinc/42/47/48/1094424748.db2.gz OMYMWVMFACQOEG-WBVHZDCISA-N 2 0 335.879 2.470 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001441134798 1094465361 /nfs/dbraw/zinc/46/53/61/1094465361.db2.gz LGMGFMVBUGMAQA-QGZVFWFLSA-N 2 0 348.466 2.081 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001441212715 1094576775 /nfs/dbraw/zinc/57/67/75/1094576775.db2.gz QEXISJXIKXLPSX-OAHLLOKOSA-N 2 0 342.487 2.445 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001441337102 1094815421 /nfs/dbraw/zinc/81/54/21/1094815421.db2.gz HWHPCAAMHWSWSE-RCCFBDPRSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC001441537336 1095250575 /nfs/dbraw/zinc/25/05/75/1095250575.db2.gz YIBFINXTTKUIEV-ZFWWWQNUSA-N 2 0 338.521 2.261 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001441548197 1095274231 /nfs/dbraw/zinc/27/42/31/1095274231.db2.gz NYPQFQDBZFWEAV-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cccnc2)C1 ZINC001441566962 1095327462 /nfs/dbraw/zinc/32/74/62/1095327462.db2.gz LMLVYZPTMQOAAD-FUHWJXTLSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001441589641 1095416465 /nfs/dbraw/zinc/41/64/65/1095416465.db2.gz QXLVSDJMVOMDTR-GJZGRUSLSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001441847184 1095927932 /nfs/dbraw/zinc/92/79/32/1095927932.db2.gz VPTGKAAVTPEQJJ-CYBMUJFWSA-N 2 0 336.480 2.185 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001441869269 1095981577 /nfs/dbraw/zinc/98/15/77/1095981577.db2.gz KNQCOXZQPNRPJJ-YTQUADARSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001441893601 1096038003 /nfs/dbraw/zinc/03/80/03/1096038003.db2.gz DLVOGWXVBLDCNB-GJZGRUSLSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001441930318 1096119120 /nfs/dbraw/zinc/11/91/20/1096119120.db2.gz DFMPXPINDWQBPQ-CQSZACIVSA-N 2 0 346.500 2.356 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001441936361 1096126456 /nfs/dbraw/zinc/12/64/56/1096126456.db2.gz XWDQWVZKHCPLIA-LSDHHAIUSA-N 2 0 325.472 2.190 10 0 EEAERP CC(C)N(CC[N@H+](C)CCc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001442130998 1096372098 /nfs/dbraw/zinc/37/20/98/1096372098.db2.gz NTXMQQFQRRXYNW-UHFFFAOYSA-N 2 0 331.504 2.494 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CC[NH+]1CCCCC1 ZINC001442187996 1096459534 /nfs/dbraw/zinc/45/95/34/1096459534.db2.gz ZVFFXAQDPZDFLV-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP Cn1cncc1CCC(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001442591537 1096960487 /nfs/dbraw/zinc/96/04/87/1096960487.db2.gz WKYPEQZQVFJAHB-UHFFFAOYSA-N 2 0 340.471 2.478 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001443271679 1097754787 /nfs/dbraw/zinc/75/47/87/1097754787.db2.gz OKJCYXQWZKWAOH-VQTJNVASSA-N 2 0 343.515 2.317 10 0 EEAERP C[N@H+](CC(=O)NCC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)CC(C)(C)C ZINC001443609585 1098105077 /nfs/dbraw/zinc/10/50/77/1098105077.db2.gz ANBUPSPJFWDEEW-BPQIPLTHSA-N 2 0 335.536 2.449 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001443821571 1098324508 /nfs/dbraw/zinc/32/45/08/1098324508.db2.gz YKGUHZPKAPBXGY-DLBZAZTESA-N 2 0 348.491 2.199 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001443934467 1098454477 /nfs/dbraw/zinc/45/44/77/1098454477.db2.gz CSIQOWLDMXJNSC-IEBWSBKVSA-N 2 0 346.519 2.221 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2cncc(F)c2)CCCC1)[NH+](C)C ZINC001444066614 1098588497 /nfs/dbraw/zinc/58/84/97/1098588497.db2.gz AEDRHAIVWKFPSZ-MRXNPFEDSA-N 2 0 336.455 2.080 10 0 EEAERP COC[C@H](C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479600031 1098625168 /nfs/dbraw/zinc/62/51/68/1098625168.db2.gz MLRRPHHMJOERME-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001444116340 1098649357 /nfs/dbraw/zinc/64/93/57/1098649357.db2.gz KJMYIWCOXNXKDJ-PKOBYXMFSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001444119793 1098653188 /nfs/dbraw/zinc/65/31/88/1098653188.db2.gz AURHOAFBCKSQFC-APWZRJJASA-N 2 0 348.491 2.232 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479744128 1098871984 /nfs/dbraw/zinc/87/19/84/1098871984.db2.gz AFAMFVRXVHXNGP-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001444374156 1098949108 /nfs/dbraw/zinc/94/91/08/1098949108.db2.gz BVZDSTKYOZFCBQ-OAHLLOKOSA-N 2 0 335.467 2.318 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001444377359 1098955641 /nfs/dbraw/zinc/95/56/41/1098955641.db2.gz FVOWOQWEJYJKCZ-HUUCEWRRSA-N 2 0 345.478 2.496 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001444380569 1098963999 /nfs/dbraw/zinc/96/39/99/1098963999.db2.gz LTYOYXCWOJBXBA-AWEZNQCLSA-N 2 0 338.521 2.025 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001444392020 1098984770 /nfs/dbraw/zinc/98/47/70/1098984770.db2.gz VWNOBJDXOBJROB-PXAZEXFGSA-N 2 0 339.430 2.246 10 0 EEAERP Cc1nsc(C)c1C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001479797203 1099014422 /nfs/dbraw/zinc/01/44/22/1099014422.db2.gz WTZYPJPEBMGKRL-CYBMUJFWSA-N 2 0 338.521 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC001444540024 1099319598 /nfs/dbraw/zinc/31/95/98/1099319598.db2.gz YAEFXGUWBSLBAU-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001444635537 1099462690 /nfs/dbraw/zinc/46/26/90/1099462690.db2.gz ZIFCXZQIOIWSDO-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001480019868 1099498327 /nfs/dbraw/zinc/49/83/27/1099498327.db2.gz BGPBIXVDQAVXBP-RBUKOAKNSA-N 2 0 345.531 2.393 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)c1F)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444716240 1099579246 /nfs/dbraw/zinc/57/92/46/1099579246.db2.gz CKPLLDANCDNAJC-JSGCOSHPSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001444739805 1099615570 /nfs/dbraw/zinc/61/55/70/1099615570.db2.gz BNGWMZCUMIDIPV-OALUTQOASA-N 2 0 346.519 2.413 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCF)C1 ZINC001480078663 1099622302 /nfs/dbraw/zinc/62/23/02/1099622302.db2.gz VVZCXALOWRIPPD-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001480144294 1099712272 /nfs/dbraw/zinc/71/22/72/1099712272.db2.gz FCDJQUKFIHOSEA-NSCCEZDJSA-N 2 0 346.302 2.418 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2coc(C3CC3)n2)[C@@H](C)C1 ZINC001444798023 1099715040 /nfs/dbraw/zinc/71/50/40/1099715040.db2.gz XQAIAOWVQRSCSP-WMLDXEAASA-N 2 0 348.491 2.220 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001480147841 1099716162 /nfs/dbraw/zinc/71/61/62/1099716162.db2.gz YATFEOHTRVALOK-FHWLQOOXSA-N 2 0 329.488 2.340 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001480166302 1099741042 /nfs/dbraw/zinc/74/10/42/1099741042.db2.gz YWCCHTBZTBDJPI-WKILWMFISA-N 2 0 339.524 2.160 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001480270731 1099974634 /nfs/dbraw/zinc/97/46/34/1099974634.db2.gz AKQNBWOGNCPMCP-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001480368348 1100143463 /nfs/dbraw/zinc/14/34/63/1100143463.db2.gz YOYJJMIOMKOUGA-GOSISDBHSA-N 2 0 347.478 2.435 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001445148255 1100407907 /nfs/dbraw/zinc/40/79/07/1100407907.db2.gz XCIKDRBSZXJHKN-QZTJIDSGSA-N 2 0 333.520 2.441 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001480571882 1100415227 /nfs/dbraw/zinc/41/52/27/1100415227.db2.gz OEGPXRKCWYOEJI-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1oc(C(C)C)nc1C ZINC001495107007 1100756505 /nfs/dbraw/zinc/75/65/05/1100756505.db2.gz GUAJRGAPXWXRGL-HNNXBMFYSA-N 2 0 336.480 2.187 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001496299964 1100887887 /nfs/dbraw/zinc/88/78/87/1100887887.db2.gz KSZYKRRDTBRQRW-SFHVURJKSA-N 2 0 344.503 2.106 10 0 EEAERP COCc1ccc(C[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001446470606 1100894245 /nfs/dbraw/zinc/89/42/45/1100894245.db2.gz QERDLGOPABSFTI-UHFFFAOYSA-N 2 0 347.503 2.255 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001496358208 1100951937 /nfs/dbraw/zinc/95/19/37/1100951937.db2.gz OOVAILCJSISZKD-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001496367581 1100960759 /nfs/dbraw/zinc/96/07/59/1100960759.db2.gz DZMLLQWMJLGTEI-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001496418952 1101013296 /nfs/dbraw/zinc/01/32/96/1101013296.db2.gz MCNGMULVFZVLOS-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCCO)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001495320780 1101025750 /nfs/dbraw/zinc/02/57/50/1101025750.db2.gz LKZRINMXKVDEET-LPHOPBHVSA-N 2 0 341.540 2.001 10 0 EEAERP Cc1ccc(C[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)c(C)n1 ZINC001495428433 1101146063 /nfs/dbraw/zinc/14/60/63/1101146063.db2.gz PNVMWZZUZMOMKU-UHFFFAOYSA-N 2 0 346.519 2.368 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001495481892 1101191380 /nfs/dbraw/zinc/19/13/80/1101191380.db2.gz NLIOSMIQRFLKPK-QAQDUYKDSA-N 2 0 348.491 2.458 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCCc1ccccc1 ZINC001495691811 1101444581 /nfs/dbraw/zinc/44/45/81/1101444581.db2.gz POTFOHIHLMMTEQ-IEBWSBKVSA-N 2 0 331.504 2.445 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCCc1ccccc1 ZINC001495691812 1101444785 /nfs/dbraw/zinc/44/47/85/1101444785.db2.gz POTFOHIHLMMTEQ-PKOBYXMFSA-N 2 0 331.504 2.445 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001495784462 1101593046 /nfs/dbraw/zinc/59/30/46/1101593046.db2.gz GKKXUJYWIAZKBA-KRWDZBQOSA-N 2 0 343.515 2.229 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(F)(F)F)C3)CC1 ZINC001446925549 1101604080 /nfs/dbraw/zinc/60/40/80/1101604080.db2.gz LTRNMGAMZMVMEJ-MJBXVCDLSA-N 2 0 347.425 2.250 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)CC[C@H]21 ZINC001496862776 1101630690 /nfs/dbraw/zinc/63/06/90/1101630690.db2.gz XRFUAJGXYKKYIC-UBZMYNMCSA-N 2 0 330.476 2.471 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001446974189 1101685648 /nfs/dbraw/zinc/68/56/48/1101685648.db2.gz QHCSGDBBNPHWQN-RDJZCZTQSA-N 2 0 335.467 2.352 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001496906070 1101698674 /nfs/dbraw/zinc/69/86/74/1101698674.db2.gz ZUWOFAAPROZDMD-MSOLQXFVSA-N 2 0 342.487 2.494 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001496923372 1101725054 /nfs/dbraw/zinc/72/50/54/1101725054.db2.gz MXBCTOVBVLSUIU-ZBFHGGJFSA-N 2 0 338.521 2.166 10 0 EEAERP O=C(Cc1c[nH]cn1)NCC1([NH2+]Cc2ccc(F)c(F)c2)CCCC1 ZINC001495950459 1101813502 /nfs/dbraw/zinc/81/35/02/1101813502.db2.gz XUOGNRMUQQNRFR-UHFFFAOYSA-N 2 0 348.397 2.449 10 0 EEAERP CO[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001447095227 1101982590 /nfs/dbraw/zinc/98/25/90/1101982590.db2.gz VPXCOXOKEMBMOU-ATIWLJMLSA-N 2 0 339.524 2.016 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001447122398 1102030434 /nfs/dbraw/zinc/03/04/34/1102030434.db2.gz BHCCRZIFCJCZJU-XHSDSOJGSA-N 2 0 325.472 2.142 10 0 EEAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001496110685 1102082460 /nfs/dbraw/zinc/08/24/60/1102082460.db2.gz LDLNVCNDSAPUPP-OAHLLOKOSA-N 2 0 329.448 2.364 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001497196294 1102108705 /nfs/dbraw/zinc/10/87/05/1102108705.db2.gz VDNPGXCQUYJQHK-LALPHHSUSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204467 1102123689 /nfs/dbraw/zinc/12/36/89/1102123689.db2.gz DPTPGVCSVPDKTP-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001497304791 1102286412 /nfs/dbraw/zinc/28/64/12/1102286412.db2.gz QHMQQOADTSAUPB-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC2)o1 ZINC001447248715 1102293016 /nfs/dbraw/zinc/29/30/16/1102293016.db2.gz CZLPLAMFKKNYHF-KRWDZBQOSA-N 2 0 348.491 2.232 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3ccccn3)CCC2)C1 ZINC001447270957 1102353030 /nfs/dbraw/zinc/35/30/30/1102353030.db2.gz WSBUJKOZMSHPKN-WMZOPIPTSA-N 2 0 344.503 2.331 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497362551 1102383016 /nfs/dbraw/zinc/38/30/16/1102383016.db2.gz SEIZGZNPLDTWQC-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497384578 1102413192 /nfs/dbraw/zinc/41/31/92/1102413192.db2.gz YZRKJKVKPUKZEU-SFHVURJKSA-N 2 0 347.478 2.414 10 0 EEAERP CC(C)OCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001447354590 1102510860 /nfs/dbraw/zinc/51/08/60/1102510860.db2.gz MYQZDBXSJMSMFB-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1COC2(C[NH+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001447391576 1102580943 /nfs/dbraw/zinc/58/09/43/1102580943.db2.gz ZHRYGSWDGOFILP-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001447426226 1102631301 /nfs/dbraw/zinc/63/13/01/1102631301.db2.gz WEEUQYDDWSAAHY-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497601356 1102730955 /nfs/dbraw/zinc/73/09/55/1102730955.db2.gz QUCBGVAYFPHKFM-NHZBNJEXSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+](CCC2)C3)sn1 ZINC001497613992 1102753625 /nfs/dbraw/zinc/75/36/25/1102753625.db2.gz UUAZYPDGHYNTPC-NSCUHMNNSA-N 2 0 348.516 2.090 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)C23CCC[NH+](CCC2)C3)sn1 ZINC001497613990 1102753756 /nfs/dbraw/zinc/75/37/56/1102753756.db2.gz UUAZYPDGHYNTPC-IHWYPQMZSA-N 2 0 348.516 2.090 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497622177 1102763958 /nfs/dbraw/zinc/76/39/58/1102763958.db2.gz WIZOWEXZPLZLNG-VZSQWMKGSA-N 2 0 344.503 2.272 10 0 EEAERP COc1ccc(CC[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001447632519 1103001231 /nfs/dbraw/zinc/00/12/31/1103001231.db2.gz KBYWTBCYBIOTQS-AEFFLSMTSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@H]1C[N@H+](CCCNC(=O)c2cccc(CC[NH+](C)C)c2)CCCO1 ZINC001447661549 1103068217 /nfs/dbraw/zinc/06/82/17/1103068217.db2.gz VFTRXUKOQQUAEL-KRWDZBQOSA-N 2 0 347.503 2.021 10 0 EEAERP Cc1nccnc1C[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001447675515 1103097654 /nfs/dbraw/zinc/09/76/54/1103097654.db2.gz PFUJRGRTWROKAI-RDJZCZTQSA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001447747513 1103224692 /nfs/dbraw/zinc/22/46/92/1103224692.db2.gz UOMXWPWQOYRZOF-NXOAAHMSSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963135 1103423353 /nfs/dbraw/zinc/42/33/53/1103423353.db2.gz PQZXGWZCNLZHSE-CXAGYDPISA-N 2 0 331.435 2.003 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001494077933 1103485120 /nfs/dbraw/zinc/48/51/20/1103485120.db2.gz DCSGDEMTJZEGPL-AEFFLSMTSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)s1 ZINC001447899363 1103549387 /nfs/dbraw/zinc/54/93/87/1103549387.db2.gz PCTHKTJVIIRAHY-ZIAGYGMSSA-N 2 0 338.521 2.166 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494171155 1103637833 /nfs/dbraw/zinc/63/78/33/1103637833.db2.gz HEVRMMDVOPTHGE-UXHICEINSA-N 2 0 343.515 2.351 10 0 EEAERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1nc(C)oc1C)[NH+](C)C ZINC001447969921 1103701552 /nfs/dbraw/zinc/70/15/52/1103701552.db2.gz DHMUDVCSLWPWGL-MRXNPFEDSA-N 2 0 338.496 2.206 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001448045481 1103885830 /nfs/dbraw/zinc/88/58/30/1103885830.db2.gz QNYOZAYDUPOONQ-MRXNPFEDSA-N 2 0 346.519 2.173 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cc(C)ns1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448243243 1104235250 /nfs/dbraw/zinc/23/52/50/1104235250.db2.gz DITYYCGTAYRGCN-HOCLYGCPSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)OCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001448264596 1104277095 /nfs/dbraw/zinc/27/70/95/1104277095.db2.gz MBODXHFUHSOYBI-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001494951001 1104594539 /nfs/dbraw/zinc/59/45/39/1104594539.db2.gz WDZGAAVTXRJTPM-CVEARBPZSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001497983686 1106737512 /nfs/dbraw/zinc/73/75/12/1106737512.db2.gz ICPVFEVUCGDYHJ-CYBMUJFWSA-N 2 0 325.403 2.314 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2nocc2C)C1 ZINC001480710334 1106933690 /nfs/dbraw/zinc/93/36/90/1106933690.db2.gz VQDWAIDQUWSLOQ-CVEARBPZSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nsc2ccccc12 ZINC001480809495 1107157387 /nfs/dbraw/zinc/15/73/87/1107157387.db2.gz XUEJBWQLXPQTOX-KGLIPLIRSA-N 2 0 346.500 2.232 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@H]2CCCC[N@H+]2C)co1 ZINC001480825273 1107201087 /nfs/dbraw/zinc/20/10/87/1107201087.db2.gz BGIGOSFXFDJLHE-QZTJIDSGSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(Cl)nc1)NC(=O)C1CC[NH+](C)CC1 ZINC001498399021 1107454449 /nfs/dbraw/zinc/45/44/49/1107454449.db2.gz SPELCMJNSCCIGR-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1cncs1)[NH+]1CCCC1 ZINC001498457721 1107568261 /nfs/dbraw/zinc/56/82/61/1107568261.db2.gz SQLHWWKAZYIVCK-ZBFHGGJFSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)oc1C ZINC001498488693 1107623524 /nfs/dbraw/zinc/62/35/24/1107623524.db2.gz JIXCQURPYQECHR-HOTGVXAUSA-N 2 0 336.480 2.008 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CCF ZINC001498505353 1107649584 /nfs/dbraw/zinc/64/95/84/1107649584.db2.gz RNTLULINRVVLGH-IRXDYDNUSA-N 2 0 327.488 2.487 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC001493234698 1107737310 /nfs/dbraw/zinc/73/73/10/1107737310.db2.gz SEAYXWNCMHVOQJ-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)Cc1cncn1C)c1ccccc1F ZINC001498641455 1107874496 /nfs/dbraw/zinc/87/44/96/1107874496.db2.gz CIUNJABYRVPHHF-AWEZNQCLSA-N 2 0 332.423 2.301 10 0 EEAERP Cc1cncc(C[N@@H+](CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C2CC2)c1 ZINC001493448696 1108173553 /nfs/dbraw/zinc/17/35/53/1108173553.db2.gz FDODPKIDKHKYOM-IAGOWNOFSA-N 2 0 344.503 2.343 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493727474 1108577600 /nfs/dbraw/zinc/57/76/00/1108577600.db2.gz YAVDNDRJVRYBQQ-NVXWUHKLSA-N 2 0 348.491 2.110 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001479392027 1110690357 /nfs/dbraw/zinc/69/03/57/1110690357.db2.gz RNDKQNDABCCQBM-JCNLHEQBSA-N 2 0 347.478 2.460 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CC1 ZINC001499226056 1112187574 /nfs/dbraw/zinc/18/75/74/1112187574.db2.gz LUEODPFYBXUJLG-SFHVURJKSA-N 2 0 345.487 2.177 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@H]3CCCC3(F)F)CC2)CC1 ZINC001499338981 1112240329 /nfs/dbraw/zinc/24/03/29/1112240329.db2.gz DZXSRQVRBPRQFE-OAHLLOKOSA-N 2 0 343.462 2.392 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCc3cccc(F)c3)CC2)C1 ZINC001499353053 1112246409 /nfs/dbraw/zinc/24/64/09/1112246409.db2.gz YNOUIEBOJNGBQV-MRXNPFEDSA-N 2 0 347.478 2.339 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421660 1112278766 /nfs/dbraw/zinc/27/87/66/1112278766.db2.gz OYVLESROSUVDST-CABCVRRESA-N 2 0 333.451 2.467 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccon2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001499861301 1112519417 /nfs/dbraw/zinc/51/94/17/1112519417.db2.gz IGAPNPSQLPNUIN-SJORKVTESA-N 2 0 348.491 2.410 10 0 EEAERP CO[C@H](C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001499997574 1112571760 /nfs/dbraw/zinc/57/17/60/1112571760.db2.gz KXTJHZBHAJPYEH-GOSISDBHSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CCCC2)c1 ZINC001500127145 1112630197 /nfs/dbraw/zinc/63/01/97/1112630197.db2.gz RSMHEODJEANHTJ-RBUKOAKNSA-N 2 0 344.503 2.106 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+]([C@@H](C)COC)C2)C1 ZINC001500160760 1112647286 /nfs/dbraw/zinc/64/72/86/1112647286.db2.gz CZLPAGYCRSIQOG-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](C[C@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001500226349 1112688114 /nfs/dbraw/zinc/68/81/14/1112688114.db2.gz AZQTXNBPLNYWJM-YOEHRIQHSA-N 2 0 343.462 2.487 10 0 EEAERP Cc1cnc([C@@H](C)[NH+]2CCC(C)(CNC(=O)CC[NH+](C)C)CC2)cn1 ZINC001500443959 1112836794 /nfs/dbraw/zinc/83/67/94/1112836794.db2.gz CCTHGVXYOFCTTD-MRXNPFEDSA-N 2 0 347.507 2.016 10 0 EEAERP CC(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500614250 1112977718 /nfs/dbraw/zinc/97/77/18/1112977718.db2.gz UGFQHHUFLPAULE-AWEZNQCLSA-N 2 0 331.451 2.058 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001501091556 1113195730 /nfs/dbraw/zinc/19/57/30/1113195730.db2.gz OPOSRDTUIZXRCE-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001501135416 1113210818 /nfs/dbraw/zinc/21/08/18/1113210818.db2.gz GOULJULPJXDLLX-SJORKVTESA-N 2 0 346.519 2.341 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001501569524 1113386238 /nfs/dbraw/zinc/38/62/38/1113386238.db2.gz ZWOSBINQTOVGEC-ZIFCJYIRSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2nc(C)cs2)C1 ZINC001501640942 1113411481 /nfs/dbraw/zinc/41/14/81/1113411481.db2.gz MRWNMCKHFPDTJC-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CCOCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001501968305 1113541455 /nfs/dbraw/zinc/54/14/55/1113541455.db2.gz LPCZEKDZKIPWMK-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccnc2C)CC1)[NH+](C)C ZINC001502125432 1113602964 /nfs/dbraw/zinc/60/29/64/1113602964.db2.gz CKAMGNGYBIIECN-ZWKOTPCHSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001505677320 1114125552 /nfs/dbraw/zinc/12/55/52/1114125552.db2.gz GVBRWYULTFPGID-NWDGAFQWSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CCN(C)C(=O)C23CC[NH+](CC2)C3)C(C)C)on1 ZINC001506483723 1114641552 /nfs/dbraw/zinc/64/15/52/1114641552.db2.gz NMYUDVGRBBXDOC-KRWDZBQOSA-N 2 0 348.491 2.042 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCCC1 ZINC001506524073 1114672865 /nfs/dbraw/zinc/67/28/65/1114672865.db2.gz SIRNKRZUCFZYMH-UHFFFAOYSA-N 2 0 339.524 2.306 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506723426 1114834037 /nfs/dbraw/zinc/83/40/37/1114834037.db2.gz JVWUGHPLFWUQAW-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001506896685 1114957054 /nfs/dbraw/zinc/95/70/54/1114957054.db2.gz UFSRMBMTUCRGGV-AULYBMBSSA-N 2 0 334.291 2.132 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001506903152 1114961480 /nfs/dbraw/zinc/96/14/80/1114961480.db2.gz FPUSKAVBIVDRAO-SHTZXODSSA-N 2 0 344.459 2.154 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506951935 1115000098 /nfs/dbraw/zinc/00/00/98/1115000098.db2.gz STHAPLGKEISKEW-RDJZCZTQSA-N 2 0 335.467 2.460 10 0 EEAERP C[N@H+](CCCF)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001506964984 1115014791 /nfs/dbraw/zinc/01/47/91/1115014791.db2.gz VVRIXUXKRXWDSS-IRXDYDNUSA-N 2 0 325.472 2.286 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1Cl ZINC001507117487 1115117174 /nfs/dbraw/zinc/11/71/74/1115117174.db2.gz HRMJJZFOEOYDSZ-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cncs1 ZINC001507128122 1115122877 /nfs/dbraw/zinc/12/28/77/1115122877.db2.gz AVPDFPYXXPOOBG-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1N(Cc1cncc(F)c1)CC2 ZINC001507350763 1115213811 /nfs/dbraw/zinc/21/38/11/1115213811.db2.gz BRCWISYWEAYCNP-MJGOQNOKSA-N 2 0 348.466 2.176 10 0 EEAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507405876 1115253953 /nfs/dbraw/zinc/25/39/53/1115253953.db2.gz BHSUNKFLMKXKDM-LSDHHAIUSA-N 2 0 345.422 2.115 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001507409826 1115255603 /nfs/dbraw/zinc/25/56/03/1115255603.db2.gz LANHKXAPJZALEW-IRXDYDNUSA-N 2 0 333.476 2.021 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001507426559 1115262621 /nfs/dbraw/zinc/26/26/21/1115262621.db2.gz GTWKBLLKFMGZQM-STQMWFEESA-N 2 0 334.291 2.276 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2cccnc2)C(C)(C)C)CC[N@@H+]1C ZINC001507949613 1115378829 /nfs/dbraw/zinc/37/88/29/1115378829.db2.gz UBBWSQLICWMBHK-DJIMGWMZSA-N 2 0 332.492 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001508035463 1115397321 /nfs/dbraw/zinc/39/73/21/1115397321.db2.gz HEHAZIZJQAVCRU-ZFWWWQNUSA-N 2 0 345.478 2.494 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001508133845 1115425138 /nfs/dbraw/zinc/42/51/38/1115425138.db2.gz HWBZOZUOIRLBTI-DZIBYMRMSA-N 2 0 343.515 2.322 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567976318 1124214020 /nfs/dbraw/zinc/21/40/20/1124214020.db2.gz AFFFHPDJGZPEPM-GDBMZVCRSA-N 2 0 340.899 2.306 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001568027623 1124237450 /nfs/dbraw/zinc/23/74/50/1124237450.db2.gz FLHJWDUAYANONK-DOMZBBRYSA-N 2 0 335.414 2.155 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001568071707 1124277043 /nfs/dbraw/zinc/27/70/43/1124277043.db2.gz AWDCEPHQENSTOR-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001568238197 1124380255 /nfs/dbraw/zinc/38/02/55/1124380255.db2.gz YBTPCYNXGAGGEY-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F)[NH+](C)C ZINC001568279532 1124401266 /nfs/dbraw/zinc/40/12/66/1124401266.db2.gz PMPRNWXZWYOJKY-QAPCUYQASA-N 2 0 337.483 2.391 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001568281752 1124402018 /nfs/dbraw/zinc/40/20/18/1124402018.db2.gz WFDFPJJXQUCVTD-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CO[C@@H](C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001568674564 1124687131 /nfs/dbraw/zinc/68/71/31/1124687131.db2.gz QCTXVJFVFVPINH-LPHOPBHVSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001569213567 1125169721 /nfs/dbraw/zinc/16/97/21/1125169721.db2.gz FILQZWUNDYRCET-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCc2ccccc2Cl)C2CC2)C1 ZINC001569329544 1125233284 /nfs/dbraw/zinc/23/32/84/1125233284.db2.gz PLBFRAZFBZUQOG-SJLPKXTDSA-N 2 0 349.906 2.319 10 0 EEAERP C[NH+](Cc1ccc(C[N@@H+](C)CC2(CO)CC2)cc1)CC1(CO)CC1 ZINC000186774700 529984547 /nfs/dbraw/zinc/98/45/47/529984547.db2.gz AFATXJGRPSPFQG-UHFFFAOYSA-N 2 0 332.488 2.095 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000067704390 215188704 /nfs/dbraw/zinc/18/87/04/215188704.db2.gz WKUHZMQZNFQZLU-ROUUACIJSA-N 2 0 332.492 2.381 10 0 EEAERP C[C@H](CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000422818108 240245892 /nfs/dbraw/zinc/24/58/92/240245892.db2.gz FPYKXZNIHOMCRW-LSTHTHJFSA-N 2 0 331.504 2.254 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000246482557 243260861 /nfs/dbraw/zinc/26/08/61/243260861.db2.gz ORONHDRFVOMKNI-WTLGNFPFSA-N 2 0 345.487 2.039 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000119099802 292241228 /nfs/dbraw/zinc/24/12/28/292241228.db2.gz OLHDEEOLOYLNEL-LXPRWKDFSA-N 2 0 336.524 2.234 10 0 EEAERP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)cc1F ZINC000128489027 292342961 /nfs/dbraw/zinc/34/29/61/292342961.db2.gz YTMJFOOOGNJAJG-UHFFFAOYSA-N 2 0 329.847 2.353 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000184670467 160014340 /nfs/dbraw/zinc/01/43/40/160014340.db2.gz DCGHSCKMBJWLSE-OALUTQOASA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190493932 160161621 /nfs/dbraw/zinc/16/16/21/160161621.db2.gz VOGXUQSEDSHZSZ-WSTZPKSXSA-N 2 0 337.552 2.418 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000245429555 160234612 /nfs/dbraw/zinc/23/46/12/160234612.db2.gz YRAMBNKGSIMWSW-ZWKOTPCHSA-N 2 0 333.451 2.391 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[NH+]2CCCC[C@H]2C1)Cc1ccccc1 ZINC000246342847 160274234 /nfs/dbraw/zinc/27/42/34/160274234.db2.gz CFHBOPYKTDFEOV-IBGZPJMESA-N 2 0 344.503 2.388 10 0 EEAERP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCC[C@@H](C)C1 ZINC000247364257 160321836 /nfs/dbraw/zinc/32/18/36/160321836.db2.gz CMWQUZHNNZKFAB-CIQAELJKSA-N 2 0 336.524 2.421 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247413253 160324076 /nfs/dbraw/zinc/32/40/76/160324076.db2.gz QGRANGRCCYANJG-FGTMMUONSA-N 2 0 336.524 2.377 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147764 160339115 /nfs/dbraw/zinc/33/91/15/160339115.db2.gz QJQURQPHKQIQPF-DOTOQJQBSA-N 2 0 335.879 2.372 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338003315 160691999 /nfs/dbraw/zinc/69/19/99/160691999.db2.gz VOIJXULLUDBQIX-AQNXPRMDSA-N 2 0 343.515 2.444 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)CCOC)CC1 ZINC000344314746 161216560 /nfs/dbraw/zinc/21/65/60/161216560.db2.gz HFXPCDFWIBYTPP-FQEVSTJZSA-N 2 0 349.519 2.096 10 0 EEAERP CCc1cccc(C[NH+]2CCN(c3ccnc(N(C)C)n3)CC2)c1 ZINC000346310899 161361939 /nfs/dbraw/zinc/36/19/39/161361939.db2.gz VCSFETSTVKUUDK-UHFFFAOYSA-N 2 0 325.460 2.427 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C12CCC2 ZINC000347233109 161436306 /nfs/dbraw/zinc/43/63/06/161436306.db2.gz QCZPMZBWSJBYHN-YESZJQIVSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CN1CC[NH+](C)CC1 ZINC000352434866 162134120 /nfs/dbraw/zinc/13/41/20/162134120.db2.gz CEYROAKHXMAWFT-KRWDZBQOSA-N 2 0 341.503 2.060 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000364858362 165295790 /nfs/dbraw/zinc/29/57/90/165295790.db2.gz LYQKNBBWYIHDBL-HSALFYBXSA-N 2 0 337.552 2.445 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[NH+](C)C)cc1 ZINC000375231477 167091897 /nfs/dbraw/zinc/09/18/97/167091897.db2.gz YDANYHJPERUTQF-GOSISDBHSA-N 2 0 330.476 2.087 10 0 EEAERP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000278616199 269235991 /nfs/dbraw/zinc/23/59/91/269235991.db2.gz MWYSNHBEIQTYCP-HXUWFJFHSA-N 2 0 329.488 2.058 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000266875703 276213753 /nfs/dbraw/zinc/21/37/53/276213753.db2.gz SWIDQTRESVEUFF-GOEBONIOSA-N 2 0 347.459 2.406 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179091933 277166204 /nfs/dbraw/zinc/16/62/04/277166204.db2.gz GYOJMLQHBHCJBF-OALUTQOASA-N 2 0 342.487 2.358 10 0 EEAERP CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349664089 289354247 /nfs/dbraw/zinc/35/42/47/289354247.db2.gz GEPIIPHAYUXRCX-QZTJIDSGSA-N 2 0 336.524 2.375 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000170830884 289382761 /nfs/dbraw/zinc/38/27/61/289382761.db2.gz KVGRIPISCSVNMZ-SFHVURJKSA-N 2 0 344.503 2.169 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000340181213 290139547 /nfs/dbraw/zinc/13/95/47/290139547.db2.gz GAPQSJGPURRHRM-QZTJIDSGSA-N 2 0 330.476 2.217 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000355351668 295603090 /nfs/dbraw/zinc/60/30/90/295603090.db2.gz MMELPXYAJJWALC-LXPRWKDFSA-N 2 0 334.508 2.273 10 0 EEAERP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000414476948 313031500 /nfs/dbraw/zinc/03/15/00/313031500.db2.gz AQFDNSLAQGYALH-IEBWSBKVSA-N 2 0 335.536 2.365 10 0 EEAERP C[C@@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)Cc1ccccc1 ZINC000414485915 313033567 /nfs/dbraw/zinc/03/35/67/313033567.db2.gz PXXAHSJQFFMHJZ-LJQANCHMSA-N 2 0 345.531 2.251 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000414735948 313072525 /nfs/dbraw/zinc/07/25/25/313072525.db2.gz MFIKEKSHGXBLRR-HOTGVXAUSA-N 2 0 345.491 2.030 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416801543 313319704 /nfs/dbraw/zinc/31/97/04/313319704.db2.gz AEBJCCDIAWIMKH-IXDOHACOSA-N 2 0 346.475 2.343 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NCCC[NH3+])c1ccccc1Cl ZINC000416829775 313327256 /nfs/dbraw/zinc/32/72/56/313327256.db2.gz GDKNUUNKJMWHHP-OAHLLOKOSA-N 2 0 326.872 2.371 10 0 EEAERP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000416882438 313347534 /nfs/dbraw/zinc/34/75/34/313347534.db2.gz BAUVZEDAQXQRPX-CVEARBPZSA-N 2 0 330.476 2.174 10 0 EEAERP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[NH2+]1 ZINC000416900267 313354318 /nfs/dbraw/zinc/35/43/18/313354318.db2.gz IIDCLCCZMBPBSW-INIZCTEOSA-N 2 0 330.476 2.176 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000417003960 313390617 /nfs/dbraw/zinc/39/06/17/313390617.db2.gz HNTMXBRZQWCXNC-KZNAEPCWSA-N 2 0 336.524 2.136 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccsc1 ZINC000417011529 313393551 /nfs/dbraw/zinc/39/35/51/313393551.db2.gz SGEJGWBSCORNGT-NUEKZKHPSA-N 2 0 338.521 2.428 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccco1 ZINC000417314293 313481585 /nfs/dbraw/zinc/48/15/85/313481585.db2.gz QVWFKKNOJLWEEN-OWCLPIDISA-N 2 0 334.464 2.056 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418499678 313830718 /nfs/dbraw/zinc/83/07/18/313830718.db2.gz MAZNUNJSHJKARS-XWIAVFTESA-N 2 0 326.444 2.137 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000519590142 316794603 /nfs/dbraw/zinc/79/46/03/316794603.db2.gz ZRLBIJNBQZKAHS-UHOSZYNNSA-N 2 0 344.503 2.429 10 0 EEAERP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000561194885 318830355 /nfs/dbraw/zinc/83/03/55/318830355.db2.gz FEQMSIBLECZZTG-QRVBRYPASA-N 2 0 329.488 2.185 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000564098416 319067160 /nfs/dbraw/zinc/06/71/60/319067160.db2.gz OMXQIVAYZSFZET-HOTGVXAUSA-N 2 0 335.517 2.418 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000564848372 319117733 /nfs/dbraw/zinc/11/77/33/319117733.db2.gz VQMBMYGEEWQBAR-IBGZPJMESA-N 2 0 348.487 2.341 10 0 EEAERP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000566088741 319242873 /nfs/dbraw/zinc/24/28/73/319242873.db2.gz FFZOSCXPJBWLFQ-QSPRXWTASA-N 2 0 334.485 2.068 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000569557924 319587579 /nfs/dbraw/zinc/58/75/79/319587579.db2.gz AHZZLWFYLYAQMO-YJBOKZPZSA-N 2 0 330.476 2.080 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000574912147 320070575 /nfs/dbraw/zinc/07/05/75/320070575.db2.gz SBJCFOFNSFABEM-IAQYHMDHSA-N 2 0 349.372 2.151 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000576815023 320206240 /nfs/dbraw/zinc/20/62/40/320206240.db2.gz VVRJPFYLTMFIBL-COXVUDFISA-N 2 0 343.450 2.377 10 0 EEAERP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH+]ccc1N ZINC000577614555 320266016 /nfs/dbraw/zinc/26/60/16/320266016.db2.gz HJMMOWSYAGGHDW-UHFFFAOYSA-N 2 0 339.443 2.268 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+](C)C)nc2)c1 ZINC000339245310 465163134 /nfs/dbraw/zinc/16/31/34/465163134.db2.gz MTCPFXWJMIKSLV-UHFFFAOYSA-N 2 0 326.444 2.135 10 0 EEAERP CN(C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347903158 465298285 /nfs/dbraw/zinc/29/82/85/465298285.db2.gz WOGGYWGINNHFMS-MOPGFXCFSA-N 2 0 327.472 2.346 10 0 EEAERP CCC[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000089949413 462751612 /nfs/dbraw/zinc/75/16/12/462751612.db2.gz YMEKVEBMVNWZBK-IBGZPJMESA-N 2 0 346.519 2.045 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000131305243 462804877 /nfs/dbraw/zinc/80/48/77/462804877.db2.gz JJMBJJKVMAUXEQ-UHFFFAOYSA-N 2 0 344.459 2.410 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000579333087 468343736 /nfs/dbraw/zinc/34/37/36/468343736.db2.gz OFBAPQYJFMCPNH-LNLFQRSKSA-N 2 0 330.476 2.121 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000097031980 463305549 /nfs/dbraw/zinc/30/55/49/463305549.db2.gz LFGXZMQRGFMNEB-QZTJIDSGSA-N 2 0 347.528 2.205 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3n2C)CC1 ZINC000069706235 463307789 /nfs/dbraw/zinc/30/77/89/463307789.db2.gz YWEZAYQHRQHOLV-HNNXBMFYSA-N 2 0 330.476 2.098 10 0 EEAERP Cc1cccc(OCCCNC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123370509 463337013 /nfs/dbraw/zinc/33/70/13/463337013.db2.gz YPKHGVUENZMGJA-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP COc1cccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000553166597 468352956 /nfs/dbraw/zinc/35/29/56/468352956.db2.gz MWLICZSZPZASLU-LPHOPBHVSA-N 2 0 345.487 2.290 10 0 EEAERP CCn1c2ccc(F)cc2nc1C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871575 463450160 /nfs/dbraw/zinc/45/01/60/463450160.db2.gz NMEYJDUBWJBPTN-UHFFFAOYSA-N 2 0 348.466 2.331 10 0 EEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000106433528 463516511 /nfs/dbraw/zinc/51/65/11/463516511.db2.gz SFDZGVBVBVOPMP-FQEVSTJZSA-N 2 0 339.483 2.408 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000194131507 463796872 /nfs/dbraw/zinc/79/68/72/463796872.db2.gz BJTHKXCTLIQHQM-SJORKVTESA-N 2 0 336.455 2.212 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000185607276 463850529 /nfs/dbraw/zinc/85/05/29/463850529.db2.gz BKCSQNCXBFLQDF-ROUUACIJSA-N 2 0 330.476 2.167 10 0 EEAERP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccccc1 ZINC000262140044 463955614 /nfs/dbraw/zinc/95/56/14/463955614.db2.gz DUYOWUMBGNQSNG-FQBWVUSXSA-N 2 0 327.472 2.108 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351914059 465438692 /nfs/dbraw/zinc/43/86/92/465438692.db2.gz YRIPGQBBFHTDRN-INIZCTEOSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000284875912 464376310 /nfs/dbraw/zinc/37/63/10/464376310.db2.gz QGSHMBKGZNEKBU-XYJFISCASA-N 2 0 330.480 2.068 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(C)nc3sccn3c2=O)[C@H](C)C1 ZINC000285502235 464586785 /nfs/dbraw/zinc/58/67/85/464586785.db2.gz FEYZLXPGZICCGN-CZUORRHYSA-N 2 0 348.516 2.269 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000246468154 464588668 /nfs/dbraw/zinc/58/86/68/464588668.db2.gz VGGKQYVBMFUREN-KBAYOESNSA-N 2 0 332.492 2.413 10 0 EEAERP COC(=O)[C@H]1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000286097314 464802312 /nfs/dbraw/zinc/80/23/12/464802312.db2.gz UPEPWRSATQJJBC-SFHVURJKSA-N 2 0 345.487 2.084 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183260345 464835914 /nfs/dbraw/zinc/83/59/14/464835914.db2.gz HJVVAEUJAUAMOI-UYAOXDASSA-N 2 0 345.487 2.431 10 0 EEAERP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CCc2sccc2C1 ZINC000183341610 464852511 /nfs/dbraw/zinc/85/25/11/464852511.db2.gz DBKUYIGZEUEKDG-CYBMUJFWSA-N 2 0 344.484 2.386 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@@H](C)C1 ZINC000249382505 464868466 /nfs/dbraw/zinc/86/84/66/464868466.db2.gz QPEFIFIFLULVKL-MJBXVCDLSA-N 2 0 326.403 2.026 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)c2ccc3c[nH+]cn3c2)ccc1F ZINC000339954506 465632713 /nfs/dbraw/zinc/63/27/13/465632713.db2.gz CKPCPOPJCGOSJZ-UHFFFAOYSA-N 2 0 326.375 2.465 10 0 EEAERP CCC[NH+]1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000348973899 465899936 /nfs/dbraw/zinc/89/99/36/465899936.db2.gz UZMZCNHLZRIZQO-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]2CCC[C@H]21 ZINC000353465835 465903876 /nfs/dbraw/zinc/90/38/76/465903876.db2.gz ZNJGFPUQYKIWEK-FGTMMUONSA-N 2 0 331.460 2.347 10 0 EEAERP CN(C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340302737 465971680 /nfs/dbraw/zinc/97/16/80/465971680.db2.gz KCWAKJDYHCPKMJ-QYZOEREBSA-N 2 0 342.487 2.310 10 0 EEAERP Nc1nc(-n2cccn2)cc(NCc2cn3cc(Cl)ccc3n2)[nH+]1 ZINC000301636991 466000829 /nfs/dbraw/zinc/00/08/29/466000829.db2.gz LTRKFNYZNKEIHQ-UHFFFAOYSA-N 2 0 340.778 2.158 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000349828810 466259553 /nfs/dbraw/zinc/25/95/53/466259553.db2.gz NPCQRFIHRVIYLC-OAHLLOKOSA-N 2 0 333.505 2.049 10 0 EEAERP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367614394 466448438 /nfs/dbraw/zinc/44/84/38/466448438.db2.gz 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ZINC000417947025 466998693 /nfs/dbraw/zinc/99/86/93/466998693.db2.gz RSJOXIGEMTXSSG-ZSYWTGECSA-N 2 0 342.487 2.073 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417971115 467005454 /nfs/dbraw/zinc/00/54/54/467005454.db2.gz ADNPFZLOBRMQFB-QAPCUYQASA-N 2 0 330.476 2.043 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424337276 467032078 /nfs/dbraw/zinc/03/20/78/467032078.db2.gz ZZQDGKMEQSFCNO-QXAKKESOSA-N 2 0 329.488 2.355 10 0 EEAERP CN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418046536 467032962 /nfs/dbraw/zinc/03/29/62/467032962.db2.gz QSWRDFHZOCAQCO-HXUWFJFHSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418148210 467058796 /nfs/dbraw/zinc/05/87/96/467058796.db2.gz REJISHLSSLCIHU-AYOQOUSVSA-N 2 0 344.503 2.194 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCC[NH3+] ZINC000418314182 467091673 /nfs/dbraw/zinc/09/16/73/467091673.db2.gz RSCLXPQUKRZQDB-UHFFFAOYSA-N 2 0 346.397 2.127 10 0 EEAERP [NH3+]CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418319323 467092088 /nfs/dbraw/zinc/09/20/88/467092088.db2.gz ANWLPZLAFFJQLI-ROUUACIJSA-N 2 0 330.476 2.031 10 0 EEAERP CCN(C(=O)NC[C@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418462765 467114824 /nfs/dbraw/zinc/11/48/24/467114824.db2.gz BUDKBLIUUIXYSY-SOLBZPMBSA-N 2 0 332.492 2.448 10 0 EEAERP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380912694 467373748 /nfs/dbraw/zinc/37/37/48/467373748.db2.gz XKGVZCQYERZEKV-VQTJNVASSA-N 2 0 337.467 2.289 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414746317 467433428 /nfs/dbraw/zinc/43/34/28/467433428.db2.gz YYTHRDKFOUWIEU-JKSUJKDBSA-N 2 0 345.491 2.220 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414942471 467454900 /nfs/dbraw/zinc/45/49/00/467454900.db2.gz DNTFGFKZSJWKQT-MJGOQNOKSA-N 2 0 330.520 2.449 10 0 EEAERP 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468046590 /nfs/dbraw/zinc/04/65/90/468046590.db2.gz PRWYOTDZGJYKRG-SFHVURJKSA-N 2 0 331.504 2.448 10 0 EEAERP CC1(C)CN(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000570342258 468625374 /nfs/dbraw/zinc/62/53/74/468625374.db2.gz GILKFFNROGJPBI-GOSISDBHSA-N 2 0 329.488 2.009 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000557635327 468642454 /nfs/dbraw/zinc/64/24/54/468642454.db2.gz YOWQEGIIJIHFEF-ZIFCJYIRSA-N 2 0 329.488 2.498 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000570780192 468689413 /nfs/dbraw/zinc/68/94/13/468689413.db2.gz ZFKYTDCKPHVPOL-LJQANCHMSA-N 2 0 347.503 2.228 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479176 468707703 /nfs/dbraw/zinc/70/77/03/468707703.db2.gz TVZIVMYJCATBDL-WBVHZDCISA-N 2 0 344.459 2.189 10 0 EEAERP C[C@@H](CSCCF)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000595010135 468742872 /nfs/dbraw/zinc/74/28/72/468742872.db2.gz BWVIQFLYYJNNCH-AWEZNQCLSA-N 2 0 347.544 2.294 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCCC1 ZINC000561061453 468861461 /nfs/dbraw/zinc/86/14/61/468861461.db2.gz BTHCNZLWKAFTPP-WMZOPIPTSA-N 2 0 345.487 2.290 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000561202956 468876084 /nfs/dbraw/zinc/87/60/84/468876084.db2.gz GQVJUDQKZQDQRA-AWEZNQCLSA-N 2 0 330.476 2.380 10 0 EEAERP C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000584721025 468921383 /nfs/dbraw/zinc/92/13/83/468921383.db2.gz HWFCUZANKXXCBJ-WLWJZTKJSA-N 2 0 347.478 2.495 10 0 EEAERP C[C@H](CCNC(=O)COC1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000573917046 469229944 /nfs/dbraw/zinc/22/99/44/469229944.db2.gz LEGBPJLYJJWYHM-IPJUCJBFSA-N 2 0 347.503 2.300 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000618555496 469387971 /nfs/dbraw/zinc/38/79/71/469387971.db2.gz ZRHZWZVYDCGFMK-RBUKOAKNSA-N 2 0 346.519 2.333 10 0 EEAERP 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000626994819 469781373 /nfs/dbraw/zinc/78/13/73/469781373.db2.gz KIETVAQPOMWMAM-OQIJWPOYSA-N 2 0 344.503 2.479 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000608352102 469806012 /nfs/dbraw/zinc/80/60/12/469806012.db2.gz UGSSUCOAZLJUMA-QGZVFWFLSA-N 2 0 344.503 2.043 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000627979879 470036912 /nfs/dbraw/zinc/03/69/12/470036912.db2.gz LAACJQVOLXQVDJ-RBUKOAKNSA-N 2 0 331.504 2.426 10 0 EEAERP C[C@H]1C[C@H]([N@H+](C)CCc2cn(C)nn2)CCN1Cc1ccccc1 ZINC000625222318 470097577 /nfs/dbraw/zinc/09/75/77/470097577.db2.gz MKDOARJEBIMGNU-QFBILLFUSA-N 2 0 327.476 2.343 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000625250909 470104833 /nfs/dbraw/zinc/10/48/33/470104833.db2.gz AFFAGHUGJBJPLO-GFCCVEGCSA-N 2 0 332.370 2.390 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625567855 470164441 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341.503 2.204 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000657572731 471172163 /nfs/dbraw/zinc/17/21/63/471172163.db2.gz CYEMCJHWMGLTOW-INIZCTEOSA-N 2 0 347.482 2.373 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648448493 471208335 /nfs/dbraw/zinc/20/83/35/471208335.db2.gz MJNCBMQMWKOPJF-MOPGFXCFSA-N 2 0 329.488 2.111 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657873231 471243402 /nfs/dbraw/zinc/24/34/02/471243402.db2.gz LGSYPALZMLCMJB-SFHVURJKSA-N 2 0 330.472 2.445 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652164256 471248300 /nfs/dbraw/zinc/24/83/00/471248300.db2.gz ILMIKMCFNSCURE-WMZOPIPTSA-N 2 0 344.503 2.325 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000652260527 471263620 /nfs/dbraw/zinc/26/36/20/471263620.db2.gz MULZIGAAPWLCLS-APAFKAMOSA-N 2 0 327.472 2.283 10 0 EEAERP COC1([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCOCC1 ZINC000658071452 471264590 /nfs/dbraw/zinc/26/45/90/471264590.db2.gz XCBZFGMOLMEFIV-MRXNPFEDSA-N 2 0 340.508 2.051 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000663506532 471404207 /nfs/dbraw/zinc/40/42/07/471404207.db2.gz UBOVCGUBUYNIOJ-UHFFFAOYSA-N 2 0 329.897 2.482 10 0 EEAERP CCOc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000663535267 471416140 /nfs/dbraw/zinc/41/61/40/471416140.db2.gz JWTFFLYQZUQOOA-HNNXBMFYSA-N 2 0 333.476 2.336 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663750902 471501642 /nfs/dbraw/zinc/50/16/42/471501642.db2.gz NMDZBBNTJDONOJ-SJORKVTESA-N 2 0 336.455 2.164 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1 ZINC000666827730 471550525 /nfs/dbraw/zinc/55/05/25/471550525.db2.gz BZPVUAIZHCQVON-SUMWQHHRSA-N 2 0 330.407 2.073 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655976117 471564051 /nfs/dbraw/zinc/56/40/51/471564051.db2.gz ZGBQNQKNNLZYMW-RTBURBONSA-N 2 0 344.503 2.216 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000659286203 471567487 /nfs/dbraw/zinc/56/74/87/471567487.db2.gz BXQQCOLQZGSDBP-BQFCYCMXSA-N 2 0 347.503 2.012 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000659318835 471579197 /nfs/dbraw/zinc/57/91/97/471579197.db2.gz DTDBIHIHNAPGKH-QRQLOZEOSA-N 2 0 347.503 2.156 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000667148695 471671694 /nfs/dbraw/zinc/67/16/94/471671694.db2.gz ONBCUQKGOMAYCK-HDJSIYSDSA-N 2 0 328.420 2.154 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659622670 471701477 /nfs/dbraw/zinc/70/14/77/471701477.db2.gz UGJGACYSWLVNRA-ZWKOTPCHSA-N 2 0 332.492 2.276 10 0 EEAERP CCN(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000667336211 471744423 /nfs/dbraw/zinc/74/44/23/471744423.db2.gz ZSSYAHVDGPNEPT-SFHVURJKSA-N 2 0 336.524 2.234 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOCc2ccccc2)CC1 ZINC000659911568 471790216 /nfs/dbraw/zinc/79/02/16/471790216.db2.gz ZCRGWHMBKCJXRD-HXUWFJFHSA-N 2 0 331.504 2.305 10 0 EEAERP C[C@H](CC[NH+]1C[C@@H](C)C(O)[C@H](C)C1)CC[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621322 471828782 /nfs/dbraw/zinc/82/87/82/471828782.db2.gz MZDWAEVHTKNXTA-ZMYBMPLZSA-N 2 0 340.552 2.300 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000667680976 471864950 /nfs/dbraw/zinc/86/49/50/471864950.db2.gz XWYMPPUSKCOJAZ-QXAKKESOSA-N 2 0 342.487 2.146 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667785736 471903335 /nfs/dbraw/zinc/90/33/35/471903335.db2.gz YTJJYTIWXUZIEQ-PMACEKPBSA-N 2 0 329.488 2.091 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667827763 471920835 /nfs/dbraw/zinc/92/08/35/471920835.db2.gz NJFPJLCLXOYUJT-ZDUSSCGKSA-N 2 0 334.439 2.467 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000665285326 471990232 /nfs/dbraw/zinc/99/02/32/471990232.db2.gz KDRXUBRUYNIJHJ-AWEZNQCLSA-N 2 0 347.459 2.057 10 0 EEAERP CCN(C(=O)[C@@H]([NH3+])COC(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501576 472130513 /nfs/dbraw/zinc/13/05/13/472130513.db2.gz CMYSFBZLEUNRMP-WDSOQIARSA-N 2 0 347.503 2.423 10 0 EEAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501784 472130607 /nfs/dbraw/zinc/13/06/07/472130607.db2.gz FGGUVUWOMRTMOB-AQNXPRMDSA-N 2 0 341.499 2.499 10 0 EEAERP [NH3+]C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000662971030 472312664 /nfs/dbraw/zinc/31/26/64/472312664.db2.gz AWUCFNNHHOVXGX-GOSISDBHSA-N 2 0 333.451 2.106 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCCN1Cc1ccccn1 ZINC000673656215 485487926 /nfs/dbraw/zinc/48/79/26/485487926.db2.gz UEQCPUGDMSYGPV-GOSISDBHSA-N 2 0 348.410 2.265 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N(C)CCCC[NH+](C)C)cc2)CC1 ZINC000673841978 485551338 /nfs/dbraw/zinc/55/13/38/485551338.db2.gz NUCPGWUYTMYKJW-UHFFFAOYSA-N 2 0 346.519 2.242 10 0 EEAERP Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000679086329 485585477 /nfs/dbraw/zinc/58/54/77/485585477.db2.gz JMJJTVOXSDKPES-AEFFLSMTSA-N 2 0 334.508 2.442 10 0 EEAERP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000674149267 485648199 /nfs/dbraw/zinc/64/81/99/485648199.db2.gz UMLHUPFOTYAVNI-SFHVURJKSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626955096 485695339 /nfs/dbraw/zinc/69/53/39/485695339.db2.gz SRTCGRHKFRQINA-NZSAHSFTSA-N 2 0 344.503 2.338 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000674987606 485888347 /nfs/dbraw/zinc/88/83/47/485888347.db2.gz GIMQDODXPLUTFZ-OAHLLOKOSA-N 2 0 342.447 2.367 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000681655661 486300172 /nfs/dbraw/zinc/30/01/72/486300172.db2.gz UXCDVBKQTYGCDQ-AZUAARDMSA-N 2 0 344.503 2.435 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416157567 528249533 /nfs/dbraw/zinc/24/95/33/528249533.db2.gz DKRCJSIUAJFKIZ-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000191557130 528336311 /nfs/dbraw/zinc/33/63/11/528336311.db2.gz RUXZWIZIBNKGGN-UHFFFAOYSA-N 2 0 325.478 2.325 10 0 EEAERP C[NH+]1CCC(CNC(=S)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000760468124 577663438 /nfs/dbraw/zinc/66/34/38/577663438.db2.gz PNKWIFQIUNIFDM-UHFFFAOYSA-N 2 0 338.565 2.011 10 0 EEAERP C[N@H+](CC1CC[NH2+]CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262034336 677980415 /nfs/dbraw/zinc/98/04/15/677980415.db2.gz XNSZWYLFMAWGKS-NRFANRHFSA-N 3 0 345.531 2.363 10 0 EEAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000894597554 682990577 /nfs/dbraw/zinc/99/05/77/682990577.db2.gz MSWBSKDGJZJROB-OAGGEKHMSA-N 2 0 338.398 2.152 10 0 EEAERP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262085392 683497714 /nfs/dbraw/zinc/49/77/14/683497714.db2.gz UHJFKAYPQKWZSG-ZOBUZTSGSA-N 2 0 340.512 2.295 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C1(CO)CC1 ZINC000895253797 684393493 /nfs/dbraw/zinc/39/34/93/684393493.db2.gz KKRHDNQKUKKZDK-NSHDSACASA-N 2 0 342.386 2.320 10 0 EEAERP Brc1cnc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000895407137 684590197 /nfs/dbraw/zinc/59/01/97/684590197.db2.gz LITODYJOJQCXCJ-UHFFFAOYSA-N 2 0 348.248 2.393 10 0 EEAERP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000899808291 693876214 /nfs/dbraw/zinc/87/62/14/693876214.db2.gz CKUXKLMOEXYJRI-IRXDYDNUSA-N 2 0 330.476 2.383 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC[N@@H+]1C ZINC000925326258 692473842 /nfs/dbraw/zinc/47/38/42/692473842.db2.gz PZABIVKAFCLYSV-MJGOQNOKSA-N 2 0 346.519 2.285 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924670357 693126129 /nfs/dbraw/zinc/12/61/29/693126129.db2.gz MKBBSKKMPHHTIF-DLBZAZTESA-N 2 0 333.524 2.360 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCCCF)C2 ZINC001485666975 1191887218 /nfs/dbraw/zinc/88/72/18/1191887218.db2.gz WFKCQMLJRDQREY-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCOC)CC1 ZINC001266392366 1176466130 /nfs/dbraw/zinc/46/61/30/1176466130.db2.gz HGJWSEPYLNUKDC-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)c1 ZINC001266754403 1177355924 /nfs/dbraw/zinc/35/59/24/1177355924.db2.gz OVUUHGIUHXEZOR-UHFFFAOYSA-N 2 0 337.427 2.208 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001266787623 1177429084 /nfs/dbraw/zinc/42/90/84/1177429084.db2.gz LGBDDXWGCOFSAS-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053725 1177462228 /nfs/dbraw/zinc/46/22/28/1177462228.db2.gz VOTQRPUCCQECHG-KRWDZBQOSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001266865559 1177619504 /nfs/dbraw/zinc/61/95/04/1177619504.db2.gz XNFZGRIUFNMBCI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001691166879 1177664456 /nfs/dbraw/zinc/66/44/56/1177664456.db2.gz DEHADZQVONVAHE-KKUMJFAQSA-N 2 0 338.883 2.060 10 0 EEAERP C[N@H+](CCCC1CCOCC1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480898528 1177745559 /nfs/dbraw/zinc/74/55/59/1177745559.db2.gz PXCQJPROUQGYNL-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001267046176 1178144108 /nfs/dbraw/zinc/14/41/08/1178144108.db2.gz XRZSVJOTUUHZLN-MRXNPFEDSA-N 2 0 347.478 2.291 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001267057267 1178164325 /nfs/dbraw/zinc/16/43/25/1178164325.db2.gz DQDBHOSWNVBIHV-RTBURBONSA-N 2 0 331.504 2.253 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001267136746 1178309620 /nfs/dbraw/zinc/30/96/20/1178309620.db2.gz WTFHYYJYJXQWQF-IEBWSBKVSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1cc(C)c(C[N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001480936152 1178912202 /nfs/dbraw/zinc/91/22/02/1178912202.db2.gz XKYXGBJNOSSOBW-UHFFFAOYSA-N 2 0 329.488 2.256 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)sn1 ZINC001267455987 1179038818 /nfs/dbraw/zinc/03/88/18/1179038818.db2.gz JEMOVEIAHAUWCE-CABCVRRESA-N 2 0 338.521 2.120 10 0 EEAERP CN(CC[NH2+]CCCc1c(F)cccc1F)C(=O)C[NH+]1CCCC1 ZINC001267468885 1179089756 /nfs/dbraw/zinc/08/97/56/1179089756.db2.gz DUHCFTAIPFEZLF-UHFFFAOYSA-N 2 0 339.430 2.041 10 0 EEAERP C[C@H](C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1)[NH+]1CCCCCC1 ZINC001267522244 1179256424 /nfs/dbraw/zinc/25/64/24/1179256424.db2.gz AQVIEMGWWHGXSC-MJGOQNOKSA-N 2 0 347.503 2.080 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccc(C(C)C)n1 ZINC001480999958 1179454550 /nfs/dbraw/zinc/45/45/50/1179454550.db2.gz IUXSFQPPTDFQIE-KRWDZBQOSA-N 2 0 346.519 2.485 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cccnc1 ZINC001481003558 1179461004 /nfs/dbraw/zinc/46/10/04/1179461004.db2.gz FSOCORVHICRUFJ-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC001481071059 1179680262 /nfs/dbraw/zinc/68/02/62/1179680262.db2.gz LISFNCDQJBAKRN-UONOGXRCSA-N 2 0 348.318 2.247 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001267899243 1180719473 /nfs/dbraw/zinc/71/94/73/1180719473.db2.gz DUVBXLUPDPTVHK-UONOGXRCSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc3c[nH+]cn3c2C)co1 ZINC001267994926 1180935058 /nfs/dbraw/zinc/93/50/58/1180935058.db2.gz YKXWBXBQLWXJGL-GFCCVEGCSA-N 2 0 341.415 2.095 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001481457075 1181408335 /nfs/dbraw/zinc/40/83/35/1181408335.db2.gz JXDPKRTXTBAUIS-SJLPKXTDSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCCCCF)C2)C1 ZINC001481498599 1181572051 /nfs/dbraw/zinc/57/20/51/1181572051.db2.gz QOQBCJNPBLOBEK-DLBZAZTESA-N 2 0 327.488 2.248 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001481522347 1181639039 /nfs/dbraw/zinc/63/90/39/1181639039.db2.gz MURMUWZDKPXPOL-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001268161078 1181872544 /nfs/dbraw/zinc/87/25/44/1181872544.db2.gz AFAVLMOGECNOKL-HZPDHXFCSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC001268378506 1182398028 /nfs/dbraw/zinc/39/80/28/1182398028.db2.gz KBAJNOSUILZLPZ-BLLLJJGKSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@@H]1CCCCO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268403237 1182511441 /nfs/dbraw/zinc/51/14/41/1182511441.db2.gz KNQDGPPJCXMUDQ-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268403275 1182511482 /nfs/dbraw/zinc/51/14/82/1182511482.db2.gz LJUGEQVBQJDGMA-ZDUSSCGKSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268425090 1182597294 /nfs/dbraw/zinc/59/72/94/1182597294.db2.gz YSGJQUJVBSBONJ-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001268427694 1182599668 /nfs/dbraw/zinc/59/96/68/1182599668.db2.gz ZHMISDSQYFDQNS-PBHICJAKSA-N 2 0 348.491 2.411 10 0 EEAERP CC[C@@H](CNC(=O)c1cc2c[nH]ccc-2n1)[NH2+]Cc1cncc(F)c1 ZINC001481823680 1182742534 /nfs/dbraw/zinc/74/25/34/1182742534.db2.gz JQTOQOOIDSJPFO-HNNXBMFYSA-N 2 0 341.390 2.395 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)C12CCC[NH+]1CCC2 ZINC001268461580 1182759673 /nfs/dbraw/zinc/75/96/73/1182759673.db2.gz SGVSSMTUQVZIPK-UHFFFAOYSA-N 2 0 336.505 2.018 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001481986335 1183089558 /nfs/dbraw/zinc/08/95/58/1183089558.db2.gz MQYHHRJJRVXYCW-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001482035125 1183188967 /nfs/dbraw/zinc/18/89/67/1183188967.db2.gz PCPLLECJLOAENF-UHFFFAOYSA-N 2 0 347.478 2.484 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]C/C(Cl)=C\Cl ZINC001482136047 1183442386 /nfs/dbraw/zinc/44/23/86/1183442386.db2.gz OECHAUFXUGCPEC-GNTRMGLASA-N 2 0 336.307 2.378 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268602503 1183508969 /nfs/dbraw/zinc/50/89/69/1183508969.db2.gz KRSKVWAJKWLNSA-OJBOGMDESA-N 2 0 327.472 2.466 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001268734151 1183652693 /nfs/dbraw/zinc/65/26/93/1183652693.db2.gz APQLGEQMEZSRHA-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847246 1183763366 /nfs/dbraw/zinc/76/33/66/1183763366.db2.gz GACKKKXYHQFSAL-SBSDFTTDSA-N 2 0 333.879 2.390 10 0 EEAERP CN(CCC[NH2+]CC/C=C\c1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945555 1183839674 /nfs/dbraw/zinc/83/96/74/1183839674.db2.gz FPOWCSVXLRSHCJ-PVABEOQZSA-N 2 0 329.488 2.480 10 0 EEAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001482245486 1184658553 /nfs/dbraw/zinc/65/85/53/1184658553.db2.gz HQFRSRLNDSOXFC-ONEGZZNKSA-N 2 0 331.504 2.363 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001269871125 1184683173 /nfs/dbraw/zinc/68/31/73/1184683173.db2.gz OQCLODNBUXDJTD-NUEKZKHPSA-N 2 0 336.455 2.480 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001269981729 1184758984 /nfs/dbraw/zinc/75/89/84/1184758984.db2.gz PTSMYKUTOHQFSI-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001269981730 1184759077 /nfs/dbraw/zinc/75/90/77/1184759077.db2.gz PTSMYKUTOHQFSI-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C[C@H]1C ZINC001269989574 1184769489 /nfs/dbraw/zinc/76/94/89/1184769489.db2.gz ULRJIHILTAGZHF-MSOLQXFVSA-N 2 0 347.503 2.375 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001270074363 1184828249 /nfs/dbraw/zinc/82/82/49/1184828249.db2.gz BZCAFBWGIJMOQG-WBVHZDCISA-N 2 0 335.517 2.356 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270120793 1184864464 /nfs/dbraw/zinc/86/44/64/1184864464.db2.gz JBYAUBXGUHYJSN-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001270184843 1184905132 /nfs/dbraw/zinc/90/51/32/1184905132.db2.gz UOWCBYJNJLHQMF-IAGOWNOFSA-N 2 0 335.517 2.356 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001270194923 1184910203 /nfs/dbraw/zinc/91/02/03/1184910203.db2.gz XPLCLPIYUGFZBS-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482292585 1185129620 /nfs/dbraw/zinc/12/96/20/1185129620.db2.gz ROBFOLFQYATODE-CYBMUJFWSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482298257 1185179484 /nfs/dbraw/zinc/17/94/84/1185179484.db2.gz IREHDJZIVVJPHR-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001270594693 1185193805 /nfs/dbraw/zinc/19/38/05/1185193805.db2.gz IRXPOJLWEWIGLZ-HNNXBMFYSA-N 2 0 337.895 2.320 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cncc(F)c1 ZINC001691764018 1185523412 /nfs/dbraw/zinc/52/34/12/1185523412.db2.gz WDYVKAJDYRRIIZ-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406638 1185630115 /nfs/dbraw/zinc/63/01/15/1185630115.db2.gz NBNIZRHKSNWCKY-DLBZAZTESA-N 2 0 327.488 2.483 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N(CC[NH2+]CC2CCC2)Cc2ccccc2)C1 ZINC001271826247 1186527588 /nfs/dbraw/zinc/52/75/88/1186527588.db2.gz BSHSMNZDSNCFQY-IBGZPJMESA-N 2 0 329.488 2.357 10 0 EEAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001482551556 1186661067 /nfs/dbraw/zinc/66/10/67/1186661067.db2.gz RLEFWYZAMBPBPE-GOEBONIOSA-N 2 0 345.478 2.494 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001482844703 1187763595 /nfs/dbraw/zinc/76/35/95/1187763595.db2.gz ARRFKAAELMPVFS-VQIMIIECSA-N 2 0 347.503 2.302 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001482875613 1187794990 /nfs/dbraw/zinc/79/49/90/1187794990.db2.gz WNUGITSWVPEOCH-OCCSQVGLSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482903006 1187828934 /nfs/dbraw/zinc/82/89/34/1187828934.db2.gz VZZQYSBEPFZOLK-AWEZNQCLSA-N 2 0 336.480 2.152 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482963554 1187898622 /nfs/dbraw/zinc/89/86/22/1187898622.db2.gz XCQNJUHANZYWDX-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483067154 1188398980 /nfs/dbraw/zinc/39/89/80/1188398980.db2.gz AVJKGHBEHAFLOP-YJZIAQIGSA-N 2 0 342.487 2.169 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001409343469 1189549787 /nfs/dbraw/zinc/54/97/87/1189549787.db2.gz BWRTXCYLTPJGAO-LSDHHAIUSA-N 2 0 345.487 2.184 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001409347890 1189558533 /nfs/dbraw/zinc/55/85/33/1189558533.db2.gz FAEDSJMZTWAWOC-HUUCEWRRSA-N 2 0 335.467 2.335 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1C ZINC001409422361 1189653481 /nfs/dbraw/zinc/65/34/81/1189653481.db2.gz SSOSOIYNHYHWMO-HZPDHXFCSA-N 2 0 347.503 2.328 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485891963 1193631645 /nfs/dbraw/zinc/63/16/45/1193631645.db2.gz LMNNQYYSUCIALW-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOCc1ccccc1 ZINC001485893919 1193632398 /nfs/dbraw/zinc/63/23/98/1193632398.db2.gz XXSNAOZQTMHYRO-HKUYNNGSSA-N 2 0 347.503 2.124 10 0 EEAERP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001409450154 1189698171 /nfs/dbraw/zinc/69/81/71/1189698171.db2.gz UUCRTKHBJJFYMX-MSVMSLRZSA-N 2 0 339.911 2.440 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCOCC1 ZINC001409554923 1190029110 /nfs/dbraw/zinc/02/91/10/1190029110.db2.gz KWPMKWSKWHWCGL-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001409761743 1190251185 /nfs/dbraw/zinc/25/11/85/1190251185.db2.gz KLODPSMPAKOKIS-JKSUJKDBSA-N 2 0 345.478 2.446 10 0 EEAERP COCc1ccc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001483278497 1190302213 /nfs/dbraw/zinc/30/22/13/1190302213.db2.gz HQTAXQBPSREJJQ-KRWDZBQOSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001483297133 1190319875 /nfs/dbraw/zinc/31/98/75/1190319875.db2.gz XWGLLMDYWAANRG-AWEZNQCLSA-N 2 0 346.500 2.421 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486090542 1193678669 /nfs/dbraw/zinc/67/86/69/1193678669.db2.gz BGIPXXKFVKAQRL-PBHICJAKSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001483437903 1190479259 /nfs/dbraw/zinc/47/92/59/1190479259.db2.gz QSOWRRNBPJRMBT-JKSUJKDBSA-N 2 0 348.491 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2ncccn2)C1 ZINC001483486585 1190506639 /nfs/dbraw/zinc/50/66/39/1190506639.db2.gz IXJREGYRZQBZNB-DLBZAZTESA-N 2 0 347.507 2.098 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486125874 1193687575 /nfs/dbraw/zinc/68/75/75/1193687575.db2.gz BBWKKCTYEAGEGK-IEBWSBKVSA-N 2 0 341.499 2.294 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC001483619812 1190601203 /nfs/dbraw/zinc/60/12/03/1190601203.db2.gz DPGCXWXKBGVXSS-HOCLYGCPSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCCOC ZINC001483626747 1190691178 /nfs/dbraw/zinc/69/11/78/1190691178.db2.gz SEAXUMPXLIGXRY-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccn1)CC2 ZINC001486147584 1193698386 /nfs/dbraw/zinc/69/83/86/1193698386.db2.gz KFDYRVBMXWQBLT-HKUYNNGSSA-N 2 0 330.476 2.037 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272616600 1190931809 /nfs/dbraw/zinc/93/18/09/1190931809.db2.gz NVZFAEJMEOHYBU-IRXDYDNUSA-N 2 0 347.478 2.496 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483790405 1191030898 /nfs/dbraw/zinc/03/08/98/1191030898.db2.gz HFPIOVJRJCUNFO-KRWDZBQOSA-N 2 0 349.425 2.286 10 0 EEAERP COCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001483800711 1191042516 /nfs/dbraw/zinc/04/25/16/1191042516.db2.gz BFDDYOLFHPWOAN-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001483824113 1191074926 /nfs/dbraw/zinc/07/49/26/1191074926.db2.gz BAQTWVWHUROCPG-WCXIOVBPSA-N 2 0 345.478 2.480 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847398 1191082274 /nfs/dbraw/zinc/08/22/74/1191082274.db2.gz LZTLDJNSEVYCIW-PKOBYXMFSA-N 2 0 339.499 2.392 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001483931894 1191122532 /nfs/dbraw/zinc/12/25/32/1191122532.db2.gz SLGLFZMYYAIKOJ-KBPBESRZSA-N 2 0 335.414 2.392 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1)C1CCC1 ZINC001483934377 1191123554 /nfs/dbraw/zinc/12/35/54/1191123554.db2.gz PEJWOCQEOHNXCV-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001483971543 1191131915 /nfs/dbraw/zinc/13/19/15/1191131915.db2.gz JBFUTDRYZCDZFZ-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001483973726 1191137604 /nfs/dbraw/zinc/13/76/04/1191137604.db2.gz FOGFUNCMQJXCBJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001484185735 1191264086 /nfs/dbraw/zinc/26/40/86/1191264086.db2.gz VXKCCZOVFIXZGV-BDUNBXCCSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001484185750 1191264296 /nfs/dbraw/zinc/26/42/96/1191264296.db2.gz WNLVCMCUORBRDX-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001484376050 1191322648 /nfs/dbraw/zinc/32/26/48/1191322648.db2.gz AVKIKFFRTIDPCA-UONOGXRCSA-N 2 0 337.430 2.355 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C/Cl ZINC001484460168 1191365104 /nfs/dbraw/zinc/36/51/04/1191365104.db2.gz MVYUBJGGUXZULA-DFYOVEGZSA-N 2 0 345.890 2.484 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001484468183 1191372577 /nfs/dbraw/zinc/37/25/77/1191372577.db2.gz YVDIUBAKAOZDPP-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)no1 ZINC001484535942 1191403638 /nfs/dbraw/zinc/40/36/38/1191403638.db2.gz PBDUFCIPGUNBQD-XIRDDKMYSA-N 2 0 348.491 2.042 10 0 EEAERP COCc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC2)cc1 ZINC001484628369 1191448267 /nfs/dbraw/zinc/44/82/67/1191448267.db2.gz UTTKGOVIIBXPIK-SFHVURJKSA-N 2 0 345.487 2.056 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)cc1 ZINC001484696192 1191476228 /nfs/dbraw/zinc/47/62/28/1191476228.db2.gz LMNZYOXYLCHLKB-IBGZPJMESA-N 2 0 347.503 2.044 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001484928212 1191574193 /nfs/dbraw/zinc/57/41/93/1191574193.db2.gz KZTGBBAQXSYMJY-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)sc1C ZINC001485186739 1191684914 /nfs/dbraw/zinc/68/49/14/1191684914.db2.gz GZEOKPYPXAFERL-NEPJUHHUSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485205360 1191692634 /nfs/dbraw/zinc/69/26/34/1191692634.db2.gz BDSFBLFQHHUFPG-UONOGXRCSA-N 2 0 336.480 2.086 10 0 EEAERP C[C@@H]([NH2+]CCCCC(F)(F)F)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213223 1191695707 /nfs/dbraw/zinc/69/57/07/1191695707.db2.gz CLFZOPYHKQICPL-OLZOCXBDSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485312870 1191729600 /nfs/dbraw/zinc/72/96/00/1191729600.db2.gz JCEXIAXGJDTNRX-YJBOKZPZSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485312868 1191729738 /nfs/dbraw/zinc/72/97/38/1191729738.db2.gz JCEXIAXGJDTNRX-MAUKXSAKSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1cccc(Cl)c1 ZINC001485373398 1191763106 /nfs/dbraw/zinc/76/31/06/1191763106.db2.gz OZAVHDJXYAFMTC-CQSZACIVSA-N 2 0 335.879 2.372 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C/C=C\c1ccccc1 ZINC001485373136 1191770114 /nfs/dbraw/zinc/77/01/14/1191770114.db2.gz KTYCZNADEVXWAT-YXGRLTDGSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1cncc(CN2CC([C@H](C)NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001485511935 1191815866 /nfs/dbraw/zinc/81/58/66/1191815866.db2.gz RKLGTQGZZYEWAW-QFBILLFUSA-N 2 0 344.503 2.201 10 0 EEAERP COC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485513638 1191816351 /nfs/dbraw/zinc/81/63/51/1191816351.db2.gz UQTJBTOQIWEPHO-CABCVRRESA-N 2 0 339.524 2.111 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001486177174 1193715695 /nfs/dbraw/zinc/71/56/95/1193715695.db2.gz PMVQNNBTRRJEPJ-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001486180859 1193717778 /nfs/dbraw/zinc/71/77/78/1193717778.db2.gz QOAGIJXRIFUDHV-QAPCUYQASA-N 2 0 333.476 2.116 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1)c1ccccc1 ZINC001486247682 1193773801 /nfs/dbraw/zinc/77/38/01/1193773801.db2.gz JUWMEXZYHADOEL-DLBZAZTESA-N 2 0 335.467 2.476 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1)c1ccccc1 ZINC001486247685 1193773837 /nfs/dbraw/zinc/77/38/37/1193773837.db2.gz JUWMEXZYHADOEL-SJORKVTESA-N 2 0 335.467 2.476 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CC(C)(C)CO1)C(=O)[C@@H]1CCC[NH+]1C ZINC001486365762 1193864751 /nfs/dbraw/zinc/86/47/51/1193864751.db2.gz YLOSWZRPGCQIFK-SJORKVTESA-N 2 0 339.524 2.065 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)c1 ZINC001486389507 1193908653 /nfs/dbraw/zinc/90/86/53/1193908653.db2.gz PONAZPKUKHPZLR-DLBZAZTESA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001486446258 1193961066 /nfs/dbraw/zinc/96/10/66/1193961066.db2.gz FENUBPXMAFCGMU-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CC=C(Cl)Cl)C1 ZINC001486480776 1193994790 /nfs/dbraw/zinc/99/47/90/1193994790.db2.gz NUWVJMWSDBLIFD-HIFPTAJRSA-N 2 0 334.291 2.226 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](CC[C@H]3CCCO3)CC2)CC1 ZINC001486490322 1194002236 /nfs/dbraw/zinc/00/22/36/1194002236.db2.gz LJRXGMPJKKEDOS-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@H](C(=O)NC1(C2CC[NH+](C/C=C\Cl)CC2)CC1)[NH+](C)C ZINC001486490528 1194002892 /nfs/dbraw/zinc/00/28/92/1194002892.db2.gz TYJZMULVVGEGBF-WSVPDTOYSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)C1 ZINC001486491099 1194003149 /nfs/dbraw/zinc/00/31/49/1194003149.db2.gz OHEHCRLNVBXLLS-OAHLLOKOSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018462 1194325593 /nfs/dbraw/zinc/32/55/93/1194325593.db2.gz KPGAMJUUQWAWME-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@]12CN(C(=O)[C@@H]([NH3+])C3CCC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702098501 1195727231 /nfs/dbraw/zinc/72/72/31/1195727231.db2.gz ZOIICFAFLDHHGW-CMKODMSKSA-N 2 0 327.472 2.094 10 0 EEAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001691681510 1197486521 /nfs/dbraw/zinc/48/65/21/1197486521.db2.gz ABWNHKSUFQVNBY-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001410218047 1197611023 /nfs/dbraw/zinc/61/10/23/1197611023.db2.gz BHNXAKURBYEKDM-XSWJXKHESA-N 2 0 345.478 2.431 10 0 EEAERP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)CCCCCC[NH3+] ZINC000872154925 1198063168 /nfs/dbraw/zinc/06/31/68/1198063168.db2.gz FLCJZWDWUCJVOJ-NVXWUHKLSA-N 2 0 333.476 2.466 10 0 EEAERP [NH3+]C[C@]1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCCOC1 ZINC000872173595 1198070229 /nfs/dbraw/zinc/07/02/29/1198070229.db2.gz VRTRVAGZNOEVQF-LJQANCHMSA-N 2 0 342.443 2.339 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000872230398 1198100357 /nfs/dbraw/zinc/10/03/57/1198100357.db2.gz ZPDWRDGDYAARBF-SWKXRBFHSA-N 2 0 343.512 2.115 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cc(C2CC2)no1)C(C)(C)C ZINC001411216168 1198925055 /nfs/dbraw/zinc/92/50/55/1198925055.db2.gz ZIXUPLPUBJUDLM-IRXDYDNUSA-N 2 0 348.491 2.267 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)nc2C)C1)[NH+](C)C ZINC001411246019 1198966920 /nfs/dbraw/zinc/96/69/20/1198966920.db2.gz BQDIZLWXBLZPDD-ABHNRTSZSA-N 2 0 332.492 2.118 10 0 EEAERP CC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CC1(C)C ZINC000875674141 1199340939 /nfs/dbraw/zinc/34/09/39/1199340939.db2.gz DUSLIQRDUCJHNY-VQHPVUNQSA-N 2 0 338.540 2.192 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000810701651 1199683497 /nfs/dbraw/zinc/68/34/97/1199683497.db2.gz QFYKOXHXBDTQPJ-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP CSC1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+](C)CC1 ZINC000810881107 1199785538 /nfs/dbraw/zinc/78/55/38/1199785538.db2.gz GAYUKBLLRUTTPW-QGZVFWFLSA-N 2 0 345.528 2.143 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000869765666 1200265066 /nfs/dbraw/zinc/26/50/66/1200265066.db2.gz OKHVERFBDIPROI-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000870017844 1200409617 /nfs/dbraw/zinc/40/96/17/1200409617.db2.gz ITQYFRWUPSDNCH-IAGOWNOFSA-N 2 0 332.492 2.016 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023558 1200412868 /nfs/dbraw/zinc/41/28/68/1200412868.db2.gz CTVJVISUTKPTCX-QRVBRYPASA-N 2 0 331.504 2.378 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870880335 1200929381 /nfs/dbraw/zinc/92/93/81/1200929381.db2.gz ZLWBVNUMAOEEAE-UONOGXRCSA-N 2 0 340.265 2.002 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908546 1200945600 /nfs/dbraw/zinc/94/56/00/1200945600.db2.gz PTVGGKWZHSGYOF-HFTRVMKXSA-N 2 0 335.879 2.358 10 0 EEAERP CC1(C)[C@@H](O)CC[NH+]1Cc1ccccc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000812865624 1200974163 /nfs/dbraw/zinc/97/41/63/1200974163.db2.gz QKFYSNNJBFKTIK-ROUUACIJSA-N 2 0 332.488 2.377 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)ccn2)CC1 ZINC000866235369 1201472941 /nfs/dbraw/zinc/47/29/41/1201472941.db2.gz BSHUPQFZBXOIOU-UYAOXDASSA-N 2 0 344.503 2.271 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866414613 1201511967 /nfs/dbraw/zinc/51/19/67/1201511967.db2.gz QLJQVRQULMOIKZ-AEFFLSMTSA-N 2 0 349.519 2.123 10 0 EEAERP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711123 1201586679 /nfs/dbraw/zinc/58/66/79/1201586679.db2.gz CKIWYISSCPLULY-KURKYZTESA-N 2 0 343.471 2.351 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2c3ccccc3CN2C)C[N@@H+]1C1CC1 ZINC000868382871 1201803450 /nfs/dbraw/zinc/80/34/50/1201803450.db2.gz NFTWKUBNCSUCID-QIIPPGSGSA-N 2 0 328.460 2.098 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1 ZINC001274132845 1204394606 /nfs/dbraw/zinc/39/46/06/1204394606.db2.gz DZYPVHFDKUERCC-REMYHPOOSA-N 2 0 337.414 2.211 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001275039766 1205242154 /nfs/dbraw/zinc/24/21/54/1205242154.db2.gz XRDDECADZDZHNC-APWZRJJASA-N 2 0 347.503 2.415 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001275043063 1205243370 /nfs/dbraw/zinc/24/33/70/1205243370.db2.gz XRXORPIBTMQDBU-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001275472800 1205376347 /nfs/dbraw/zinc/37/63/47/1205376347.db2.gz XYUPLDMAPXQELG-OLZOCXBDSA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001275608614 1205442152 /nfs/dbraw/zinc/44/21/52/1205442152.db2.gz BIOZDGWTCSWNTF-ABHNRTSZSA-N 2 0 341.540 2.357 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001411643157 1205469483 /nfs/dbraw/zinc/46/94/83/1205469483.db2.gz IATYEUWRMUFRPT-QGZVFWFLSA-N 2 0 331.504 2.398 10 0 EEAERP CCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+](CC)CC ZINC001411747270 1205509336 /nfs/dbraw/zinc/50/93/36/1205509336.db2.gz MMABHMXPPFTBDM-DLBZAZTESA-N 2 0 348.539 2.245 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001275978317 1205615456 /nfs/dbraw/zinc/61/54/56/1205615456.db2.gz ZGZLTVZOUNDJTP-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001276000917 1205627986 /nfs/dbraw/zinc/62/79/86/1205627986.db2.gz CEKMHDSTTCKRFP-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276052795 1205753506 /nfs/dbraw/zinc/75/35/06/1205753506.db2.gz MTFPPSGUBPQBQD-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924631337 1206007286 /nfs/dbraw/zinc/00/72/86/1206007286.db2.gz GWMWQZQAGYQSRW-PXNSSMCTSA-N 2 0 330.520 2.408 10 0 EEAERP O[C@H](CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCc2ccccc2C1 ZINC000924642614 1206009544 /nfs/dbraw/zinc/00/95/44/1206009544.db2.gz LCMSJWHMKIQMSZ-NJYVYQBISA-N 2 0 343.515 2.012 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924658957 1206013345 /nfs/dbraw/zinc/01/33/45/1206013345.db2.gz JCXFKWOPIPAVTL-QGZVFWFLSA-N 2 0 333.524 2.288 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924807831 1206034742 /nfs/dbraw/zinc/03/47/42/1206034742.db2.gz OIOOQCRTOAULHY-RTBURBONSA-N 2 0 344.503 2.128 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)n(C)n1 ZINC000924967542 1206056559 /nfs/dbraw/zinc/05/65/59/1206056559.db2.gz YLPYDZJYJXMTOX-ICSRJNTNSA-N 2 0 347.551 2.057 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925331678 1206098593 /nfs/dbraw/zinc/09/85/93/1206098593.db2.gz KNMOKUMIJQQQCI-NZSAHSFTSA-N 2 0 344.503 2.385 10 0 EEAERP COc1cccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925509246 1206121239 /nfs/dbraw/zinc/12/12/39/1206121239.db2.gz VXMRLNMZNIENDY-MOPGFXCFSA-N 2 0 345.487 2.183 10 0 EEAERP CC1(C)[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535135 1206124592 /nfs/dbraw/zinc/12/45/92/1206124592.db2.gz BYIIJEAOWJCINB-IXDOHACOSA-N 2 0 331.460 2.250 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C12CCC2 ZINC000925565719 1206129246 /nfs/dbraw/zinc/12/92/46/1206129246.db2.gz WXSJQOFLLUGQDH-ROUUACIJSA-N 2 0 344.455 2.323 10 0 EEAERP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925584171 1206132185 /nfs/dbraw/zinc/13/21/85/1206132185.db2.gz KMWVOFNNNQQZSC-RBUKOAKNSA-N 2 0 345.487 2.183 10 0 EEAERP CC1(C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620656 1206136425 /nfs/dbraw/zinc/13/64/25/1206136425.db2.gz WSDDKPJBBOZLRB-IEWDOMPSSA-N 2 0 335.536 2.121 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C12CCC2 ZINC000925666453 1206141403 /nfs/dbraw/zinc/14/14/03/1206141403.db2.gz PPRCDNHYFQVNLG-RCCFBDPRSA-N 2 0 327.472 2.080 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710162 1206145194 /nfs/dbraw/zinc/14/51/94/1206145194.db2.gz HQPZGABETFJRHO-ZRNYENFQSA-N 3 0 343.515 2.119 10 0 EEAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)[NH2+]2 ZINC000925735080 1206147614 /nfs/dbraw/zinc/14/76/14/1206147614.db2.gz SGOTXOKTCIVFCR-MGLAFYJRSA-N 2 0 334.485 2.110 10 0 EEAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777201 1206153284 /nfs/dbraw/zinc/15/32/84/1206153284.db2.gz CDVGZCQGOJZLDW-KGLIPLIRSA-N 2 0 325.403 2.262 10 0 EEAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925781173 1206153558 /nfs/dbraw/zinc/15/35/58/1206153558.db2.gz HMYHQEJXLYIPMS-BFYDXBDKSA-N 2 0 338.446 2.126 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000925832606 1206158457 /nfs/dbraw/zinc/15/84/57/1206158457.db2.gz CIJSOMYLBSBFCW-PKOBYXMFSA-N 2 0 331.504 2.255 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925849346 1206160567 /nfs/dbraw/zinc/16/05/67/1206160567.db2.gz INJFYMSRFQTRIK-JKSUJKDBSA-N 2 0 346.475 2.306 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925853266 1206160846 /nfs/dbraw/zinc/16/08/46/1206160846.db2.gz GIWCZSYZGFDPDH-RDJZCZTQSA-N 2 0 332.419 2.478 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(CC)CC ZINC000925858050 1206162041 /nfs/dbraw/zinc/16/20/41/1206162041.db2.gz RRTSCQFPQSQPBH-HRCADAONSA-N 2 0 338.492 2.245 10 0 EEAERP Cc1cc(F)ccc1[C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000926209959 1206204469 /nfs/dbraw/zinc/20/44/69/1206204469.db2.gz PQFRRKCUKIFMHV-OAHLLOKOSA-N 2 0 338.471 2.330 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000926326208 1206213899 /nfs/dbraw/zinc/21/38/99/1206213899.db2.gz PMJVRLRTBIRAMX-MOPGFXCFSA-N 2 0 330.472 2.436 10 0 EEAERP C[C@@H]1C[NH+](C/C=C/C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)Cc2c[nH]nc21 ZINC000931460188 1207386991 /nfs/dbraw/zinc/38/69/91/1207386991.db2.gz FGYDVFKEXCJGHY-LSMGEYOZSA-N 2 0 326.448 2.227 10 0 EEAERP CN(C)c1ccc(NC(=O)CCN2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931518566 1207403705 /nfs/dbraw/zinc/40/37/05/1207403705.db2.gz MHCQKOPPSNIAFS-UHFFFAOYSA-N 2 0 339.443 2.117 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CCCCC1 ZINC001671763585 1230316907 /nfs/dbraw/zinc/31/69/07/1230316907.db2.gz OITFJAYEDXXFKW-KRWDZBQOSA-N 2 0 327.488 2.296 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC000903433082 1240459691 /nfs/dbraw/zinc/45/96/91/1240459691.db2.gz TXSWBGNCAYYNQL-QWHCGFSZSA-N 2 0 339.842 2.364 10 0 EEAERP C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444688 1240490712 /nfs/dbraw/zinc/49/07/12/1240490712.db2.gz USOGPEBJPUFNGM-RLLQIKCJSA-N 2 0 331.504 2.337 10 0 EEAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903457543 1240526156 /nfs/dbraw/zinc/52/61/56/1240526156.db2.gz WPPYKZZNCPYIOH-DDTOSNHZSA-N 2 0 340.265 2.035 10 0 EEAERP O=C1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1cccc(F)c1 ZINC000903909539 1242436693 /nfs/dbraw/zinc/43/66/93/1242436693.db2.gz WAVYMSRCGGFEJR-ZNXRZULTSA-N 2 0 331.435 2.001 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001490950112 1258504849 /nfs/dbraw/zinc/50/48/49/1258504849.db2.gz ZDQRPYJCLMEVIZ-HDJSIYSDSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001491455076 1259097667 /nfs/dbraw/zinc/09/76/67/1259097667.db2.gz OBMUBIIDZZJPOM-NVXWUHKLSA-N 2 0 349.523 2.105 10 0 EEAERP c1cc(C[NH2+]Cc2ccccc2N2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000850087343 1277027224 /nfs/dbraw/zinc/02/72/24/1277027224.db2.gz BOGUQRVWTWUHDZ-UHFFFAOYSA-N 2 0 349.438 2.394 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000851657953 1277704413 /nfs/dbraw/zinc/70/44/13/1277704413.db2.gz RPJPCKFXUPNEKZ-INDMIFKZSA-N 2 0 344.503 2.304 10 0 EEAERP Cc1ccc(C[NH+]2CC([C@H](C)NC(=O)C3([NH+](C)C)CCC3)C2)c(C)n1 ZINC001409896109 1277922575 /nfs/dbraw/zinc/92/25/75/1277922575.db2.gz BDTDATGDKNOENF-INIZCTEOSA-N 2 0 344.503 2.119 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001490897504 1286640876 /nfs/dbraw/zinc/64/08/76/1286640876.db2.gz KZHRYACYFWOZJH-QAQDUYKDSA-N 2 0 344.503 2.426 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001489001974 1290325935 /nfs/dbraw/zinc/32/59/35/1290325935.db2.gz ZRLYMSRLQYPOCM-RDJZCZTQSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc2ncccc2c1 ZINC001490279711 1291106248 /nfs/dbraw/zinc/10/62/48/1291106248.db2.gz NRVOUNLGRCBMID-GOSISDBHSA-N 2 0 340.471 2.125 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)c(C)n1 ZINC001490700953 1291634626 /nfs/dbraw/zinc/63/46/26/1291634626.db2.gz WFUCFDQBSFFGGU-GOSISDBHSA-N 2 0 344.503 2.025 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490735638 1291643813 /nfs/dbraw/zinc/64/38/13/1291643813.db2.gz NBEHMSZEJKZKLM-YJBOKZPZSA-N 2 0 333.451 2.070 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760525 1292189341 /nfs/dbraw/zinc/18/93/41/1292189341.db2.gz HMMDSLYCOLUOFK-PBHICJAKSA-N 2 0 328.403 2.041 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C[C@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760634 1292189895 /nfs/dbraw/zinc/18/98/95/1292189895.db2.gz JVYVCYGCTIHJIQ-ROUUACIJSA-N 2 0 347.459 2.054 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000854224570 1292678438 /nfs/dbraw/zinc/67/84/38/1292678438.db2.gz PCXBSEYAOIGNJJ-OALUTQOASA-N 2 0 346.471 2.416 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925488718 1293083701 /nfs/dbraw/zinc/08/37/01/1293083701.db2.gz FNYMYQWUTSLKPX-MISYRCLQSA-N 3 0 336.568 2.018 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](O)C(C)(C)C)C2)ccn1 ZINC000856584467 1293573163 /nfs/dbraw/zinc/57/31/63/1293573163.db2.gz KQKYVHMZRULLMR-QZTJIDSGSA-N 2 0 335.492 2.393 10 0 EEAERP Cn1ccnc1[C@@](O)(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858105674 1294007382 /nfs/dbraw/zinc/00/73/82/1294007382.db2.gz MCVRVDUBLOSYRN-DOMZBBRYSA-N 2 0 348.413 2.023 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861630627 1295481667 /nfs/dbraw/zinc/48/16/67/1295481667.db2.gz UFZMBWJPAFMTGS-NLWGTHIKSA-N 2 0 344.503 2.338 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000863548779 1296330094 /nfs/dbraw/zinc/33/00/94/1296330094.db2.gz WSTQJKLNLONIBF-RBUKOAKNSA-N 2 0 341.455 2.321 10 0 EEAERP C[C@@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccc(F)cc1 ZINC000863643312 1296361015 /nfs/dbraw/zinc/36/10/15/1296361015.db2.gz KNTGVUWEYASRHL-VHSSKADRSA-N 2 0 347.434 2.186 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]C[C@H]2CCOC2)CC1 ZINC001277328071 1302434414 /nfs/dbraw/zinc/43/44/14/1302434414.db2.gz GHVYUIRTFXYXKO-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001277335353 1302478807 /nfs/dbraw/zinc/47/88/07/1302478807.db2.gz MZRIBGZBDCPGFE-QAPCUYQASA-N 2 0 346.519 2.415 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001277655151 1304108862 /nfs/dbraw/zinc/10/88/62/1304108862.db2.gz KKBBDNLJEHTUAB-IRXDYDNUSA-N 2 0 325.472 2.190 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C(C)C)[C@@H](C)C1 ZINC001277762989 1304362723 /nfs/dbraw/zinc/36/27/23/1304362723.db2.gz HDISBUYNJAJRGD-JKSUJKDBSA-N 2 0 336.480 2.012 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCOC1CCCCCC1 ZINC001277933828 1305169084 /nfs/dbraw/zinc/16/90/84/1305169084.db2.gz YXXNPGRKEKWSIG-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1C)[NH+](C)C ZINC001277940111 1305207595 /nfs/dbraw/zinc/20/75/95/1305207595.db2.gz BVQDPKXDEOEUDT-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCCC(C)(C)C ZINC001278017023 1305696566 /nfs/dbraw/zinc/69/65/66/1305696566.db2.gz GZFFBYCHWNLHBG-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])CC(C)C)cc(Cl)n1 ZINC000841849019 1315622879 /nfs/dbraw/zinc/62/28/79/1315622879.db2.gz MJHGUCMQWSVXKY-BBRMVZONSA-N 2 0 326.872 2.313 10 0 EEAERP CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866680 1315626360 /nfs/dbraw/zinc/62/63/60/1315626360.db2.gz GIMSPSPJUAYERV-ZGUYJTEBSA-N 2 0 330.476 2.343 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc(Cl)n1 ZINC000843489558 1315922676 /nfs/dbraw/zinc/92/26/76/1315922676.db2.gz HOUAVLSWKPIOHC-HUUCEWRRSA-N 2 0 338.883 2.232 10 0 EEAERP CCN(C)[C@@H](C(=O)OCCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529790 1322488133 /nfs/dbraw/zinc/48/81/33/1322488133.db2.gz QHTRBDFZBTXOMD-SJLPKXTDSA-N 2 0 334.460 2.333 10 0 EEAERP COCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001263960511 1322571398 /nfs/dbraw/zinc/57/13/98/1322571398.db2.gz JASQGGQANGTZHZ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001264128225 1322636710 /nfs/dbraw/zinc/63/67/10/1322636710.db2.gz TVNHKZYVZVFRBG-QGZVFWFLSA-N 2 0 327.513 2.114 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264196968 1322664086 /nfs/dbraw/zinc/66/40/86/1322664086.db2.gz PZVIERRXMQVNSV-IRXDYDNUSA-N 2 0 341.540 2.216 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC001264681927 1322782181 /nfs/dbraw/zinc/78/21/81/1322782181.db2.gz MFUCZJPHUJPQRY-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264740501 1322797243 /nfs/dbraw/zinc/79/72/43/1322797243.db2.gz UZZRITFKROEDLT-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001265068338 1322905516 /nfs/dbraw/zinc/90/55/16/1322905516.db2.gz GPFYAZBIHZNNJO-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CCN1CCO[C@H](C(=O)NCCC[N@H+](C)CCC2CCCCC2)C1 ZINC001265071118 1322906166 /nfs/dbraw/zinc/90/61/66/1322906166.db2.gz ANSVSYKHKQFNNT-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001265446485 1323160179 /nfs/dbraw/zinc/16/01/79/1323160179.db2.gz IXYOAAJPLHZXKW-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265488009 1323179220 /nfs/dbraw/zinc/17/92/20/1323179220.db2.gz OUFSELAJYCGTLL-QAQDUYKDSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265560231 1323220179 /nfs/dbraw/zinc/22/01/79/1323220179.db2.gz KQOQEHKKXJIPDL-RDGPPVDQSA-N 2 0 349.519 2.057 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001265566758 1323223449 /nfs/dbraw/zinc/22/34/49/1323223449.db2.gz MYBDICNDIWKFOQ-BETUJISGSA-N 2 0 333.398 2.052 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265613164 1323267019 /nfs/dbraw/zinc/26/70/19/1323267019.db2.gz JVRXDWOHOUWOEW-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001265794361 1323384203 /nfs/dbraw/zinc/38/42/03/1323384203.db2.gz MOLVUGQXFBUGOE-KRWDZBQOSA-N 2 0 345.487 2.097 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001265818099 1323398709 /nfs/dbraw/zinc/39/87/09/1323398709.db2.gz DIURXLILSICWBH-QGZVFWFLSA-N 2 0 347.503 2.118 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001266029192 1323580287 /nfs/dbraw/zinc/58/02/87/1323580287.db2.gz MDUBGTSWVJVYQI-QTWIXLPOSA-N 2 0 339.483 2.234 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001266037762 1323588457 /nfs/dbraw/zinc/58/84/57/1323588457.db2.gz XHTMUWIGEQILKM-MOPGFXCFSA-N 2 0 329.488 2.009 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cnc(C)o1 ZINC001266092228 1323652275 /nfs/dbraw/zinc/65/22/75/1323652275.db2.gz MYJZWUOSIAXYCA-FUHWJXTLSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(NCCC[N@@H+](C/C=C\Cl)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001266138646 1323708265 /nfs/dbraw/zinc/70/82/65/1323708265.db2.gz OGEMHYONUYYROG-GFXOSMMKSA-N 2 0 325.884 2.051 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266220264 1323791545 /nfs/dbraw/zinc/79/15/45/1323791545.db2.gz QMVQZZAQCDXCBQ-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CCOc2ccccc2)CC1 ZINC001279695576 1323981534 /nfs/dbraw/zinc/98/15/34/1323981534.db2.gz NMFIMMYJZDMGJU-UHFFFAOYSA-N 2 0 345.487 2.154 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]Cc3cccc(F)c3)C2)CC1 ZINC001280173532 1324103115 /nfs/dbraw/zinc/10/31/15/1324103115.db2.gz QEVWIELYQLHUQG-INIZCTEOSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1 ZINC001281284673 1324933783 /nfs/dbraw/zinc/93/37/83/1324933783.db2.gz HOVFUWOHCRXSMH-UHFFFAOYSA-N 2 0 327.513 2.018 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001281551729 1325261780 /nfs/dbraw/zinc/26/17/80/1325261780.db2.gz CTLQXMAMCYCHJP-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316624924 1325962238 /nfs/dbraw/zinc/96/22/38/1325962238.db2.gz PINWJMNGAUCYOT-RVKKMQEKSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001283901203 1326309768 /nfs/dbraw/zinc/30/97/68/1326309768.db2.gz ZUXZEGIMPUDTSW-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC001283912874 1326317495 /nfs/dbraw/zinc/31/74/95/1326317495.db2.gz GEQCIBVYRDRQSG-AEFFLSMTSA-N 2 0 349.523 2.074 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@H]12 ZINC001284059274 1326386659 /nfs/dbraw/zinc/38/66/59/1326386659.db2.gz VWZDPTFSKFYNPW-PKOBYXMFSA-N 2 0 342.443 2.326 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284349956 1326514669 /nfs/dbraw/zinc/51/46/69/1326514669.db2.gz RUBNCFPGNIDJPQ-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)s1 ZINC001491883711 1330288203 /nfs/dbraw/zinc/28/82/03/1330288203.db2.gz WMJHEVPGMXXLTD-LSDHHAIUSA-N 2 0 338.521 2.310 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891010 1330291462 /nfs/dbraw/zinc/29/14/62/1330291462.db2.gz HNZDSADDWQTGTN-JKOFNFNQSA-N 2 0 346.302 2.418 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001491965709 1330360885 /nfs/dbraw/zinc/36/08/85/1330360885.db2.gz RXDIPTMBXXQSOK-SFHVURJKSA-N 2 0 347.503 2.458 10 0 EEAERP C[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC1CC(F)(F)C1 ZINC001492422995 1331236229 /nfs/dbraw/zinc/23/62/29/1331236229.db2.gz KRRVINMETPIYLC-INIZCTEOSA-N 2 0 349.441 2.292 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001316858645 1331628972 /nfs/dbraw/zinc/62/89/72/1331628972.db2.gz XPALDONVBNMGAR-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001316758400 1331875860 /nfs/dbraw/zinc/87/58/60/1331875860.db2.gz BMSHKQYBWLPXFY-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cnc(C)cn1 ZINC001316826348 1331917170 /nfs/dbraw/zinc/91/71/70/1331917170.db2.gz BGSDQWLYJOPSBV-SJLPKXTDSA-N 2 0 347.507 2.159 10 0 EEAERP CCN1CCO[C@@H](C(=O)NCCC[N@H+](CC)CC2CCCCC2)C1 ZINC001316909892 1331975589 /nfs/dbraw/zinc/97/55/89/1331975589.db2.gz WPIZJTZBRAWZIZ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1conc1C)C1CC1 ZINC001316927360 1331994920 /nfs/dbraw/zinc/99/49/20/1331994920.db2.gz NPLDKDNEKBERNH-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317069935 1332068773 /nfs/dbraw/zinc/06/87/73/1332068773.db2.gz UVXAVHUNVXYJNI-IBGZPJMESA-N 2 0 347.503 2.367 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)CC1 ZINC001317084384 1332073193 /nfs/dbraw/zinc/07/31/93/1332073193.db2.gz JYJUIKXWZFYVKC-IYARVYRRSA-N 2 0 329.488 2.198 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001317120317 1332086925 /nfs/dbraw/zinc/08/69/25/1332086925.db2.gz AUNLDSNXPLMJMH-MHORFTMASA-N 2 0 337.508 2.057 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001317263991 1332157837 /nfs/dbraw/zinc/15/78/37/1332157837.db2.gz ISLFACJZLPKCTE-BZSNNMDCSA-N 2 0 347.503 2.198 10 0 EEAERP Cc1nccn1CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001317309236 1332173469 /nfs/dbraw/zinc/17/34/69/1332173469.db2.gz HOOMHDHYAVUNTL-ZDUSSCGKSA-N 2 0 332.370 2.115 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001317395736 1332212955 /nfs/dbraw/zinc/21/29/55/1332212955.db2.gz BIJPODBLRGRGGQ-IEBWSBKVSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001317432603 1332236298 /nfs/dbraw/zinc/23/62/98/1332236298.db2.gz AZAZTLCIRKRMGT-VOGXCRAGSA-N 2 0 325.884 2.196 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001317433550 1332237259 /nfs/dbraw/zinc/23/72/59/1332237259.db2.gz FSOUGUHGVOVCNR-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP CCCOc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001317573687 1332304022 /nfs/dbraw/zinc/30/40/22/1332304022.db2.gz REDHLZDEPAPACN-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317852974 1332431526 /nfs/dbraw/zinc/43/15/26/1332431526.db2.gz HVJQGJUPFSYKOB-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)(C(=O)NCC1C[NH+](CCCCCF)C1)[NH+]1CCCCC1 ZINC001318122341 1332475158 /nfs/dbraw/zinc/47/51/58/1332475158.db2.gz OUOHAUPGINEXFY-UHFFFAOYSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001318356032 1332515564 /nfs/dbraw/zinc/51/55/64/1332515564.db2.gz PABFPYACHLGAID-XQQFMLRXSA-N 2 0 336.307 2.101 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001318805733 1332601985 /nfs/dbraw/zinc/60/19/85/1332601985.db2.gz PCQWWDHPMSLMHT-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP CCc1nocc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001318874820 1332615623 /nfs/dbraw/zinc/61/56/23/1332615623.db2.gz MBGRKBROBQXHHE-SFHVURJKSA-N 2 0 348.491 2.050 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001319207366 1332665511 /nfs/dbraw/zinc/66/55/11/1332665511.db2.gz SXWAXZKKHUFYEP-LBPRGKRZSA-N 2 0 343.456 2.255 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCCC(F)(F)F ZINC001319269474 1332673596 /nfs/dbraw/zinc/67/35/96/1332673596.db2.gz IKJZTZYHTJMABB-CYBMUJFWSA-N 2 0 335.414 2.157 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319644138 1332732621 /nfs/dbraw/zinc/73/26/21/1332732621.db2.gz WLHGQUGOJXYJPH-OALUTQOASA-N 2 0 331.504 2.301 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001319905711 1332795393 /nfs/dbraw/zinc/79/53/93/1332795393.db2.gz MNNOIVGMFPXLKL-LSDHHAIUSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001319935563 1332799732 /nfs/dbraw/zinc/79/97/32/1332799732.db2.gz JWPADMCEOUJIIO-LSDHHAIUSA-N 2 0 338.883 2.060 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001320767160 1332948538 /nfs/dbraw/zinc/94/85/38/1332948538.db2.gz QCTZVUKDFAIROE-UHFFFAOYSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321416236 1333098797 /nfs/dbraw/zinc/09/87/97/1333098797.db2.gz HKOJLEHANAMTPR-UUSXEQNQSA-N 2 0 336.505 2.086 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001321417157 1333099143 /nfs/dbraw/zinc/09/91/43/1333099143.db2.gz OTEHYXNNOFWJAD-ARJAWSKDSA-N 2 0 330.476 2.028 10 0 EEAERP CCn1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001322724375 1333314254 /nfs/dbraw/zinc/31/42/54/1333314254.db2.gz PUMOSCFRPZCJPF-GOSISDBHSA-N 2 0 349.523 2.104 10 0 EEAERP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCOC(C)C)C2)C1)[NH+](C)C ZINC001323874333 1333564947 /nfs/dbraw/zinc/56/49/47/1333564947.db2.gz TXZFIWIVRPKFJZ-MJGOQNOKSA-N 2 0 339.524 2.066 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001325029364 1333814536 /nfs/dbraw/zinc/81/45/36/1333814536.db2.gz UJNXKMHQFACFJX-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326362810 1334076497 /nfs/dbraw/zinc/07/64/97/1334076497.db2.gz CTLPLBVSHJVZOI-AZUAARDMSA-N 2 0 343.515 2.399 10 0 EEAERP CCOCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001326482522 1334102699 /nfs/dbraw/zinc/10/26/99/1334102699.db2.gz XKNBZBCMGIEGPT-LPHOPBHVSA-N 2 0 347.503 2.474 10 0 EEAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001328437647 1334458780 /nfs/dbraw/zinc/45/87/80/1334458780.db2.gz WFBFQTUFYVKEMA-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP CCCC[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001329901107 1334735911 /nfs/dbraw/zinc/73/59/11/1334735911.db2.gz ORUJHSVMZAKYLY-ZDUSSCGKSA-N 2 0 335.414 2.299 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CCCCCF)CC2(C)C)CC[N@@H+]1C ZINC001330202913 1334802090 /nfs/dbraw/zinc/80/20/90/1334802090.db2.gz KWQXADJPWMHYQB-OAGGEKHMSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001330766469 1334898024 /nfs/dbraw/zinc/89/80/24/1334898024.db2.gz AAXYWVDWHQLJAR-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP CCOCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001331017346 1334947330 /nfs/dbraw/zinc/94/73/30/1334947330.db2.gz ZUKKZGFROFWQKJ-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)s1 ZINC001331928443 1335678262 /nfs/dbraw/zinc/67/82/62/1335678262.db2.gz MEUXKPHESMIOAU-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)[C@@H]1C ZINC001331930468 1335679828 /nfs/dbraw/zinc/67/98/28/1335679828.db2.gz XLIKYYOFINUOER-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1 ZINC001332396524 1335817263 /nfs/dbraw/zinc/81/72/63/1335817263.db2.gz DAZCQWXZXHOAIQ-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001332405551 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XPGUXLUAEPKGCO-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001566740215 1342620137 /nfs/dbraw/zinc/62/01/37/1342620137.db2.gz SERXUUHNDREUTL-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566893814 1342647748 /nfs/dbraw/zinc/64/77/48/1342647748.db2.gz PJJLMDFMBVNRCN-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001567138967 1342700525 /nfs/dbraw/zinc/70/05/25/1342700525.db2.gz RIOSCZYQOCXRTE-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001567172111 1342703990 /nfs/dbraw/zinc/70/39/90/1342703990.db2.gz GDFGYVOWSFKBHW-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1CCF)c1ccn(-c2cc[nH+]cc2)n1 ZINC001567257769 1342723904 /nfs/dbraw/zinc/72/39/04/1342723904.db2.gz OSKOBPQGAVRMCD-HNNXBMFYSA-N 2 0 345.422 2.211 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001676017835 1357089084 /nfs/dbraw/zinc/08/90/84/1357089084.db2.gz CBXWLWFAODEIFW-ZDUSSCGKSA-N 2 0 338.521 2.230 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018445 1357090101 /nfs/dbraw/zinc/09/01/01/1357090101.db2.gz MQTLYTXDUVHUQW-DLBZAZTESA-N 2 0 347.503 2.330 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(OC)cc1)C(=O)C1CC[NH+](C)CC1 ZINC001568772023 1342852547 /nfs/dbraw/zinc/85/25/47/1342852547.db2.gz FLNRGELXFRHBOZ-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001568775878 1342853619 /nfs/dbraw/zinc/85/36/19/1342853619.db2.gz OOIDDNQTQZWTKN-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001570183388 1343029006 /nfs/dbraw/zinc/02/90/06/1343029006.db2.gz JLEXNYAAPOXNKV-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571464592 1343213815 /nfs/dbraw/zinc/21/38/15/1343213815.db2.gz OHMFFVIWTHTPKN-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001571625646 1343254946 /nfs/dbraw/zinc/25/49/46/1343254946.db2.gz IOHJBHRMMXWMAW-OAHLLOKOSA-N 2 0 327.513 2.016 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001676951500 1357248017 /nfs/dbraw/zinc/24/80/17/1357248017.db2.gz KDXRZZACSJESNM-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)C1CCCCC1 ZINC001646933136 1353055569 /nfs/dbraw/zinc/05/55/69/1353055569.db2.gz UKVZWNPWSUGCJP-XLAORIBOSA-N 2 0 336.524 2.136 10 0 EEAERP C[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CCCCC1 ZINC001649771978 1353593013 /nfs/dbraw/zinc/59/30/13/1353593013.db2.gz LANOPUZJIMQXEW-UHFFFAOYSA-N 2 0 327.432 2.262 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CC1 ZINC001650524342 1353971067 /nfs/dbraw/zinc/97/10/67/1353971067.db2.gz CDVNIOBRYWLMSG-BGYRXZFFSA-N 2 0 348.535 2.378 10 0 EEAERP COCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001656900060 1354296815 /nfs/dbraw/zinc/29/68/15/1354296815.db2.gz XNYWMWYMACZGCY-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001656908379 1354298279 /nfs/dbraw/zinc/29/82/79/1354298279.db2.gz GAPOZSFVHJXWKL-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001661530476 1354650548 /nfs/dbraw/zinc/65/05/48/1354650548.db2.gz RSAXHPCLMGUJEU-FBVQUNGASA-N 2 0 337.508 2.009 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001661673550 1354670917 /nfs/dbraw/zinc/67/09/17/1354670917.db2.gz FZKIDRWAKRDGPF-CALCHBBNSA-N 2 0 349.519 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001661833081 1354705961 /nfs/dbraw/zinc/70/59/61/1354705961.db2.gz VQIIZIJXJGYPMW-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001661976441 1354731032 /nfs/dbraw/zinc/73/10/32/1354731032.db2.gz CLOOSSGXSCTUJI-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]CCC[C@@H]1CCOC1)[NH+]1CCCCCC1 ZINC001664227373 1355117202 /nfs/dbraw/zinc/11/72/02/1355117202.db2.gz PKDNOGUYBVVWQQ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001665642606 1355345902 /nfs/dbraw/zinc/34/59/02/1355345902.db2.gz WZSOYGUKHGVSEB-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]Cc1ccns1)C12CC[NH+](CC1)C2 ZINC001667301425 1355702828 /nfs/dbraw/zinc/70/28/28/1355702828.db2.gz CEVSHTCFXLQFRM-HNNXBMFYSA-N 2 0 348.516 2.100 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001667306880 1355705350 /nfs/dbraw/zinc/70/53/50/1355705350.db2.gz KWDFECHIUQVSRE-GOSISDBHSA-N 2 0 330.476 2.038 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001668185594 1355894717 /nfs/dbraw/zinc/89/47/17/1355894717.db2.gz ORTRGOSJOBFUCX-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP CCN(CC[NH2+]Cc1ccncc1Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001668453729 1355944441 /nfs/dbraw/zinc/94/44/41/1355944441.db2.gz XWHKRZBOFGOCLB-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668881940 1356033030 /nfs/dbraw/zinc/03/30/30/1356033030.db2.gz BYEJLKJRXSGRFM-VNHAASDWSA-N 2 0 341.446 2.311 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669040176 1356075364 /nfs/dbraw/zinc/07/53/64/1356075364.db2.gz USHCKNHXYNYOKN-MFTLYIETSA-N 2 0 331.451 2.209 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC001669146839 1356107462 /nfs/dbraw/zinc/10/74/62/1356107462.db2.gz YCZLHJQDBGHZTI-SFFCAUCYSA-N 2 0 340.471 2.337 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001669434255 1356158993 /nfs/dbraw/zinc/15/89/93/1356158993.db2.gz IBUOHPPGLFIXIY-QGZVFWFLSA-N 2 0 347.503 2.064 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001670248783 1356303403 /nfs/dbraw/zinc/30/34/03/1356303403.db2.gz GXKUFOVETTUHSE-UHFFFAOYSA-N 2 0 338.471 2.137 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC001673402688 1356686996 /nfs/dbraw/zinc/68/69/96/1356686996.db2.gz WJGTXPMFCSOBSN-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001674958681 1356917165 /nfs/dbraw/zinc/91/71/65/1356917165.db2.gz PVCGGKYUVKSKTD-OAHLLOKOSA-N 2 0 327.432 2.284 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC2(C[NH2+]CCF)CCCCC2)CC1 ZINC001675204575 1356944906 /nfs/dbraw/zinc/94/49/06/1356944906.db2.gz LPXOAVXCPLMYKJ-UHFFFAOYSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001675972949 1357079875 /nfs/dbraw/zinc/07/98/75/1357079875.db2.gz CJPACFBMLNCOIV-NVXWUHKLSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001698860144 1405116677 /nfs/dbraw/zinc/11/66/77/1405116677.db2.gz MQBDAAHNQWIRJR-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP COCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699018713 1405233891 /nfs/dbraw/zinc/23/38/91/1405233891.db2.gz DRGZZANYXQWEKS-CRAIPNDOSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106839 1405262380 /nfs/dbraw/zinc/26/23/80/1405262380.db2.gz PCJDWDAXFPQDIU-APWZRJJASA-N 2 0 344.503 2.473 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC=C(Cl)Cl ZINC001699258041 1405299273 /nfs/dbraw/zinc/29/92/73/1405299273.db2.gz TVOJIZBNODGHBB-ITDFMYJTSA-N 2 0 334.291 2.440 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001699295489 1405326460 /nfs/dbraw/zinc/32/64/60/1405326460.db2.gz DQETWUKOUDFVCS-MPNWYJEXSA-N 2 0 329.435 2.168 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001699820348 1405508901 /nfs/dbraw/zinc/50/89/01/1405508901.db2.gz YJVSSQSDSHAODF-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)cc(OC)c1 ZINC000925830576 778854087 /nfs/dbraw/zinc/85/40/87/778854087.db2.gz RVGQRUXDBCKQDQ-ZDUSSCGKSA-N 2 0 331.254 2.301 10 0 EEAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000907880633 784931570 /nfs/dbraw/zinc/93/15/70/784931570.db2.gz AJWPVYKLZYHHNK-IBGZPJMESA-N 2 0 340.427 2.032 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000819052764 785377275 /nfs/dbraw/zinc/37/72/75/785377275.db2.gz DPCKKJSBRCYVIF-QUCCMNQESA-N 2 0 331.504 2.095 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000819174856 785447739 /nfs/dbraw/zinc/44/77/39/785447739.db2.gz RZRSBBRKCDCGEW-SLFFLAALSA-N 2 0 332.488 2.304 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000585090073 785937162 /nfs/dbraw/zinc/93/71/62/785937162.db2.gz MZGAHJLZMLHFGV-WTLGNFPFSA-N 2 0 345.487 2.039 10 0 EEAERP C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711364839 788801795 /nfs/dbraw/zinc/80/17/95/788801795.db2.gz BPOUJGUHAISGJN-CGTJXYLNSA-N 2 0 329.488 2.259 10 0 EEAERP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306222 789348695 /nfs/dbraw/zinc/34/86/95/789348695.db2.gz IHYZNVWFOJGRDB-SFHVURJKSA-N 2 0 340.471 2.320 10 0 EEAERP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923375641 789457945 /nfs/dbraw/zinc/45/79/45/789457945.db2.gz CWKDAMBCUKKUPU-OAHLLOKOSA-N 2 0 344.377 2.395 10 0 EEAERP CCc1ccc(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923457811 789574953 /nfs/dbraw/zinc/57/49/53/789574953.db2.gz KENNQUCMYMXDEN-KRWDZBQOSA-N 2 0 331.460 2.017 10 0 EEAERP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497652 789672388 /nfs/dbraw/zinc/67/23/88/789672388.db2.gz ICNXTCBKSSRPHB-DOTOQJQBSA-N 2 0 333.476 2.008 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000914018407 794744567 /nfs/dbraw/zinc/74/45/67/794744567.db2.gz JLRQKORIAKHIME-APWZRJJASA-N 2 0 344.503 2.351 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000914068063 794813125 /nfs/dbraw/zinc/81/31/25/794813125.db2.gz GLCWNSODQAINJG-NVXWUHKLSA-N 2 0 335.496 2.104 10 0 EEAERP C[C@@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677585 796406024 /nfs/dbraw/zinc/40/60/24/796406024.db2.gz GNSAQHPAPTYBCX-VMXMFDLUSA-N 2 0 343.515 2.350 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693178 796443405 /nfs/dbraw/zinc/44/34/05/796443405.db2.gz OHPMWTKWFWNNHL-ZCNNSNEGSA-N 3 0 331.504 2.207 10 0 EEAERP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C12CC[NH+](CC1)C2 ZINC000921958820 798383920 /nfs/dbraw/zinc/38/39/20/798383920.db2.gz MPUHOFFWXAGUIS-SFHVURJKSA-N 2 0 340.471 2.005 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000929277342 799751495 /nfs/dbraw/zinc/75/14/95/799751495.db2.gz STUTWHMEOMPSGC-MRXNPFEDSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565942668 1125468693 /nfs/dbraw/zinc/46/86/93/1125468693.db2.gz CXCATYMSUDPVKA-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565943892 1125469866 /nfs/dbraw/zinc/46/98/66/1125469866.db2.gz WJYZBNHXBJGJTG-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001566103268 1125560389 /nfs/dbraw/zinc/56/03/89/1125560389.db2.gz DCFMVWNWPQVMFP-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP Cc1ccc(C)c(OCC[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001566516201 1125686940 /nfs/dbraw/zinc/68/69/40/1125686940.db2.gz CIASNNSPIDFFIW-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001436480332 1087961474 /nfs/dbraw/zinc/96/14/74/1087961474.db2.gz UUNTWDORZOSZAL-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001436762720 1088284368 /nfs/dbraw/zinc/28/43/68/1088284368.db2.gz SPJKIRGCBGMWBU-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]Cc2ccsc2)C2CC2)CC1 ZINC001436812992 1088401437 /nfs/dbraw/zinc/40/14/37/1088401437.db2.gz HDODRMFEVBEVGH-QGZVFWFLSA-N 2 0 335.517 2.464 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]C/C(Cl)=C\Cl)C2CC2)C1 ZINC001436814181 1088403447 /nfs/dbraw/zinc/40/34/47/1088403447.db2.gz XAZYVVOUOOFZFA-POJJKDNCSA-N 2 0 334.291 2.132 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC001436829137 1088437267 /nfs/dbraw/zinc/43/72/67/1088437267.db2.gz CDAGCUSFXTYOJZ-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cncc(F)c1 ZINC001436938295 1088613071 /nfs/dbraw/zinc/61/30/71/1088613071.db2.gz ZLEYEKNIRVPMGT-AYHJJNSGSA-N 2 0 348.466 2.173 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001437041009 1088902707 /nfs/dbraw/zinc/90/27/07/1088902707.db2.gz ZJIPFHBUSPARQX-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437263594 1089410864 /nfs/dbraw/zinc/41/08/64/1089410864.db2.gz SKAJVADXHYTKBD-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001437325237 1089492760 /nfs/dbraw/zinc/49/27/60/1089492760.db2.gz QMOAVUXQEKWAGB-CABCVRRESA-N 2 0 338.521 2.309 10 0 EEAERP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001437326339 1089494179 /nfs/dbraw/zinc/49/41/79/1089494179.db2.gz KGFHIALSXSHSCY-QZTJIDSGSA-N 2 0 346.519 2.221 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437396419 1089652497 /nfs/dbraw/zinc/65/24/97/1089652497.db2.gz JMEKNWLBSUBHGD-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437404081 1089677865 /nfs/dbraw/zinc/67/78/65/1089677865.db2.gz RABUKJRYACMTKY-GOEBONIOSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437421339 1089706315 /nfs/dbraw/zinc/70/63/15/1089706315.db2.gz HYXBYFRCQJYEIE-CYBMUJFWSA-N 2 0 325.403 2.045 10 0 EEAERP Cc1cc(C)cc(C[N@@H+]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001437745845 1090310747 /nfs/dbraw/zinc/31/07/47/1090310747.db2.gz VTISVPJBKRIXEB-GOSISDBHSA-N 2 0 329.488 2.337 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001437858115 1090438407 /nfs/dbraw/zinc/43/84/07/1090438407.db2.gz RROXGCDVQYEQJN-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437919095 1090506180 /nfs/dbraw/zinc/50/61/80/1090506180.db2.gz PTILYBCAVAMJSX-FUHWJXTLSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)cc1 ZINC001438342520 1090819199 /nfs/dbraw/zinc/81/91/99/1090819199.db2.gz WKIQPRFJZRTAAE-RDJZCZTQSA-N 2 0 333.476 2.021 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccns1 ZINC001438344325 1090821963 /nfs/dbraw/zinc/82/19/63/1090821963.db2.gz PCLKJOVIKBJTNO-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438678106 1091173078 /nfs/dbraw/zinc/17/30/78/1091173078.db2.gz DIESQTJHVKEINX-IAGOWNOFSA-N 2 0 346.519 2.031 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438707831 1091220514 /nfs/dbraw/zinc/22/05/14/1091220514.db2.gz HJINKUHIIWRSHP-JKSUJKDBSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001438710009 1091224188 /nfs/dbraw/zinc/22/41/88/1091224188.db2.gz PBXNXZRVWNBKSZ-SMDDNHRTSA-N 2 0 326.510 2.037 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001438709402 1091224387 /nfs/dbraw/zinc/22/43/87/1091224387.db2.gz AASAEWHEDIUWPQ-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001438710966 1091225548 /nfs/dbraw/zinc/22/55/48/1091225548.db2.gz GFXMGKZKCZBPPO-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001445558456 1091333897 /nfs/dbraw/zinc/33/38/97/1091333897.db2.gz SNYIHBSJWKRVSV-MAUKXSAKSA-N 2 0 330.476 2.083 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cncs2)C1 ZINC001438775276 1091364661 /nfs/dbraw/zinc/36/46/61/1091364661.db2.gz UYBUZNLBBNHRLL-GJZGRUSLSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001438803840 1091411972 /nfs/dbraw/zinc/41/19/72/1091411972.db2.gz AVFMUJODXIDNNA-SJLPKXTDSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001438938462 1091622920 /nfs/dbraw/zinc/62/29/20/1091622920.db2.gz QHFNBDOBFIMBLN-LJQANCHMSA-N 2 0 346.519 2.401 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001439164931 1091810718 /nfs/dbraw/zinc/81/07/18/1091810718.db2.gz YXUYTWHELAAOOS-CVEARBPZSA-N 2 0 347.507 2.061 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439224185 1091869331 /nfs/dbraw/zinc/86/93/31/1091869331.db2.gz PBUHAOGMHVXHLA-WMZOPIPTSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](C[N@H+](C)CCc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001439367811 1092095926 /nfs/dbraw/zinc/09/59/26/1092095926.db2.gz VSFMXLFYLDFMIH-CYBMUJFWSA-N 2 0 343.874 2.410 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001446132617 1092181604 /nfs/dbraw/zinc/18/16/04/1092181604.db2.gz ZRVWEAWMGVFLMA-UXHICEINSA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCc3ccccc32)CC1 ZINC001439545083 1092412262 /nfs/dbraw/zinc/41/22/62/1092412262.db2.gz JPKVMZDCVBZPFN-WMZOPIPTSA-N 2 0 327.472 2.206 10 0 EEAERP Cc1cncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(=O)CC[NH+](C)C)c1 ZINC001439683473 1092626751 /nfs/dbraw/zinc/62/67/51/1092626751.db2.gz AAQFJMVVFLILHA-YQQQUEKLSA-N 2 0 344.503 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CN(Cc2ccc3c(c2)CCC3)C1 ZINC001439748073 1092705719 /nfs/dbraw/zinc/70/57/19/1092705719.db2.gz HDMGOBQRSWOVKB-UHFFFAOYSA-N 2 0 329.488 2.160 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cncc(F)c1)C2 ZINC001440110423 1093171686 /nfs/dbraw/zinc/17/16/86/1093171686.db2.gz KLYRJJOCDFURLK-WBAXXEDZSA-N 2 0 348.466 2.030 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001440123862 1093184710 /nfs/dbraw/zinc/18/47/10/1093184710.db2.gz NHILLOVLWLFJEV-ZFWWWQNUSA-N 2 0 331.451 2.199 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001440221942 1093300240 /nfs/dbraw/zinc/30/02/40/1093300240.db2.gz KULIEHVNEVNBPA-HOTGVXAUSA-N 2 0 345.487 2.084 10 0 EEAERP CC1(C)C[N@H+](Cc2cccnc2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001448397815 1093398443 /nfs/dbraw/zinc/39/84/43/1093398443.db2.gz PQGBFCZOBHZSMP-SFHVURJKSA-N 2 0 344.503 2.284 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCc3ccccc3F)C[C@H]21 ZINC001448435158 1093446819 /nfs/dbraw/zinc/44/68/19/1093446819.db2.gz GJHZCQVGPKKRIQ-NNZMDNLPSA-N 2 0 347.478 2.004 10 0 EEAERP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001440339061 1093485777 /nfs/dbraw/zinc/48/57/77/1093485777.db2.gz DYICBUYMGFDCDM-BZUAXINKSA-N 2 0 339.524 2.159 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccccc3F)CCC2)C1 ZINC001440363115 1093526777 /nfs/dbraw/zinc/52/67/77/1093526777.db2.gz ZTKNVUQBYMNPSX-HNNXBMFYSA-N 2 0 333.451 2.296 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001440364100 1093530170 /nfs/dbraw/zinc/53/01/70/1093530170.db2.gz WUMQLYIIBBVWOF-ONILBQQISA-N 2 0 327.900 2.344 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](Cc3cc(C)no3)C2)C1 ZINC001440539066 1093806516 /nfs/dbraw/zinc/80/65/16/1093806516.db2.gz PAUWZUVRZPWSKK-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP CC(C)C[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCOCC1 ZINC001440570909 1093838404 /nfs/dbraw/zinc/83/84/04/1093838404.db2.gz JUJSHLUHQLKYSR-UHFFFAOYSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(O)ccc1Cl ZINC001448774077 1093850989 /nfs/dbraw/zinc/85/09/89/1093850989.db2.gz ANOQPVWZBZSQCW-ZDUSSCGKSA-N 2 0 339.867 2.078 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nsc2ccccc12 ZINC001440587944 1093853651 /nfs/dbraw/zinc/85/36/51/1093853651.db2.gz IKXHNZOOCCTIHH-CJNGLKHVSA-N 2 0 346.500 2.185 10 0 EEAERP CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001440672816 1093935571 /nfs/dbraw/zinc/93/55/71/1093935571.db2.gz RCGVAFGFDFCLAB-INIZCTEOSA-N 2 0 329.488 2.329 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001440797615 1094039040 /nfs/dbraw/zinc/03/90/40/1094039040.db2.gz HWSFEEOSKZIHSE-UONOGXRCSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001449029768 1094039110 /nfs/dbraw/zinc/03/91/10/1094039110.db2.gz LUTZTJMYHFVBGC-AEFFLSMTSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001440843007 1094100045 /nfs/dbraw/zinc/10/00/45/1094100045.db2.gz PFJQDVJOMGRRBB-UONOGXRCSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ccc(OCC[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001440927138 1094180557 /nfs/dbraw/zinc/18/05/57/1094180557.db2.gz QAGFOXFFKFMOAO-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001441023073 1094308744 /nfs/dbraw/zinc/30/87/44/1094308744.db2.gz KGLPHYQCEKBPOU-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001449350345 1094309277 /nfs/dbraw/zinc/30/92/77/1094309277.db2.gz FJMYIUCDTBCVDT-MRXNPFEDSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccnc1)C1CC1)[NH+]1CCCC1 ZINC001441294101 1094730888 /nfs/dbraw/zinc/73/08/88/1094730888.db2.gz HLLGVQOFUAHWOP-MOPGFXCFSA-N 2 0 344.503 2.186 10 0 EEAERP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001441320072 1094774512 /nfs/dbraw/zinc/77/45/12/1094774512.db2.gz LPZBLQSPCAYWIQ-UDTPNQRGSA-N 2 0 345.462 2.277 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001441544282 1095266857 /nfs/dbraw/zinc/26/68/57/1095266857.db2.gz HKLYCRBQRYVNNQ-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001441744276 1095734639 /nfs/dbraw/zinc/73/46/39/1095734639.db2.gz XIMMZRMZTYXIAU-JCYILVPMSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001441846745 1095928930 /nfs/dbraw/zinc/92/89/30/1095928930.db2.gz JDYJTOZQEAYXGV-MAUKXSAKSA-N 2 0 332.492 2.166 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccnc1C)CC2)[NH+](C)C ZINC001441875111 1095993711 /nfs/dbraw/zinc/99/37/11/1095993711.db2.gz TZARGFNPIHKLBQ-GGPKGHCWSA-N 2 0 344.503 2.343 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001442203096 1096486999 /nfs/dbraw/zinc/48/69/99/1096486999.db2.gz VGQJFYHKYQLNKO-CVEARBPZSA-N 2 0 325.472 2.286 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001442268565 1096573134 /nfs/dbraw/zinc/57/31/34/1096573134.db2.gz NNOJGZYJCTXXBC-INIZCTEOSA-N 2 0 325.472 2.191 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)CC1 ZINC001442275400 1096583813 /nfs/dbraw/zinc/58/38/13/1096583813.db2.gz FKQMZCNSANCWKN-UHFFFAOYSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001442487592 1096826974 /nfs/dbraw/zinc/82/69/74/1096826974.db2.gz JSBUNGBHAXMPNZ-IEZWGBDMSA-N 2 0 329.488 2.452 10 0 EEAERP COc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)cc1 ZINC001442550571 1096913401 /nfs/dbraw/zinc/91/34/01/1096913401.db2.gz CVPGRQTXNBVTFE-PKOBYXMFSA-N 2 0 345.487 2.260 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001442649928 1097016935 /nfs/dbraw/zinc/01/69/35/1097016935.db2.gz FASGMPXJZWPAAP-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001442893883 1097292917 /nfs/dbraw/zinc/29/29/17/1097292917.db2.gz YOSQCPCDFNRMMI-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001442907898 1097313677 /nfs/dbraw/zinc/31/36/77/1097313677.db2.gz SNZRTJJCNIEANI-OAHLLOKOSA-N 2 0 344.459 2.108 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1scnc1C ZINC001442951701 1097368169 /nfs/dbraw/zinc/36/81/69/1097368169.db2.gz OHHFSPPHONUOSI-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCCN(Cc2cnc(C)o2)C1)[NH+](CC)CC ZINC001443423385 1097924389 /nfs/dbraw/zinc/92/43/89/1097924389.db2.gz VJMKJIRJXJXSMN-WBVHZDCISA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001443609798 1098105098 /nfs/dbraw/zinc/10/50/98/1098105098.db2.gz CMYSBDUJNKDGOX-HNAYVOBHSA-N 2 0 327.472 2.064 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC001443827363 1098331357 /nfs/dbraw/zinc/33/13/57/1098331357.db2.gz ZLCXVRZDVHKEMV-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001443914285 1098436577 /nfs/dbraw/zinc/43/65/77/1098436577.db2.gz HVFQFZJOYJAGCZ-MDASCCDHSA-N 2 0 345.487 2.041 10 0 EEAERP CN(C(=O)NC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001479490575 1098562948 /nfs/dbraw/zinc/56/29/48/1098562948.db2.gz KURRHQYGCSEASA-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479624369 1098648398 /nfs/dbraw/zinc/64/83/98/1098648398.db2.gz NVFILPGADIWTBC-QZTJIDSGSA-N 2 0 329.488 2.322 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001444319089 1098880730 /nfs/dbraw/zinc/88/07/30/1098880730.db2.gz GDWMSWQDKNPSGT-DZGCQCFKSA-N 2 0 332.448 2.010 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+](C)CCCNC(=O)c2ccc(C[NH+](C)C)cc2)O1 ZINC001479802617 1099035452 /nfs/dbraw/zinc/03/54/52/1099035452.db2.gz USGUMMHEXLJVOV-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1C[NH+](CCC(C)(C)C)CCO1)CC(C)(C)C ZINC001444454071 1099096226 /nfs/dbraw/zinc/09/62/26/1099096226.db2.gz SZALCCWAQBHCDB-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP C[C@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828520 1099108722 /nfs/dbraw/zinc/10/87/22/1099108722.db2.gz BEHRBYGEYLZDKY-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nccs1)C1CC1 ZINC001480022807 1099503510 /nfs/dbraw/zinc/50/35/10/1099503510.db2.gz AEZMYJTUWCUWNG-GJZGRUSLSA-N 2 0 336.505 2.002 10 0 EEAERP CC1(C)CC(C[NH2+][C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C2CC2)C1 ZINC001480063816 1099592746 /nfs/dbraw/zinc/59/27/46/1099592746.db2.gz SPAGQHFVPDPABD-PXNSSMCTSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480216790 1099830626 /nfs/dbraw/zinc/83/06/26/1099830626.db2.gz VQVNFGLWRRBIQO-CALCHBBNSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480233293 1099859234 /nfs/dbraw/zinc/85/92/34/1099859234.db2.gz WSTYDMCUSNCINA-YESZJQIVSA-N 2 0 325.472 2.093 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001480287049 1099996333 /nfs/dbraw/zinc/99/63/33/1099996333.db2.gz WCBZCUZBEGFWOQ-SUWYVTPWSA-N 2 0 327.900 2.442 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480295112 1100009136 /nfs/dbraw/zinc/00/91/36/1100009136.db2.gz VTXUVIIZGSGSKE-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480297362 1100012735 /nfs/dbraw/zinc/01/27/35/1100012735.db2.gz IQANMRXEDHUZIA-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001444986950 1100114234 /nfs/dbraw/zinc/11/42/34/1100114234.db2.gz HNRIGBVXWDYZIQ-KRWDZBQOSA-N 2 0 335.517 2.289 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCOC)C1 ZINC001480358885 1100131145 /nfs/dbraw/zinc/13/11/45/1100131145.db2.gz YBVIMMRUQMXBBQ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001480492372 1100304405 /nfs/dbraw/zinc/30/44/05/1100304405.db2.gz JIQVTECHWCLOCX-VQIMIIECSA-N 2 0 346.519 2.413 10 0 EEAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001446553990 1101027230 /nfs/dbraw/zinc/02/72/30/1101027230.db2.gz CYPVSFAQJZKBNR-WBVHZDCISA-N 2 0 343.462 2.488 10 0 EEAERP CC[C@@H](C(=O)N[C@]1(C)CCN(Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567915 1101050892 /nfs/dbraw/zinc/05/08/92/1101050892.db2.gz XETNZAHTNLTVDO-MAUKXSAKSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001446581476 1101071026 /nfs/dbraw/zinc/07/10/26/1101071026.db2.gz XSYZECQMYUVWAE-ZBFHGGJFSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)oc1C ZINC001495397267 1101119187 /nfs/dbraw/zinc/11/91/87/1101119187.db2.gz RCESFDKGGWGGCJ-QGZVFWFLSA-N 2 0 348.491 2.106 10 0 EEAERP COCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001495429276 1101147082 /nfs/dbraw/zinc/14/70/82/1101147082.db2.gz TXVKMZBOMPIAQV-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCc3cccs3)CC2)C1 ZINC001495444663 1101158240 /nfs/dbraw/zinc/15/82/40/1101158240.db2.gz IJNDMWSWHNMJJI-KRWDZBQOSA-N 2 0 349.544 2.461 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001495517171 1101230624 /nfs/dbraw/zinc/23/06/24/1101230624.db2.gz JERAZYRROYCGHX-QZTJIDSGSA-N 2 0 339.499 2.295 10 0 EEAERP Cc1cccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CCOCC2)c1 ZINC001446716301 1101285267 /nfs/dbraw/zinc/28/52/67/1101285267.db2.gz IODALCARUSKTID-UHFFFAOYSA-N 2 0 347.503 2.090 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CC3CCC3)CCC2(F)F)C1 ZINC001446727606 1101302243 /nfs/dbraw/zinc/30/22/43/1101302243.db2.gz QASKKEFZVZGXRA-JKSUJKDBSA-N 2 0 343.462 2.202 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001496737100 1101371612 /nfs/dbraw/zinc/37/16/12/1101371612.db2.gz APOCXFFSOIOCLT-OAHLLOKOSA-N 2 0 343.462 2.440 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001495730565 1101495946 /nfs/dbraw/zinc/49/59/46/1101495946.db2.gz SMVGPRZNEFWALP-HUUCEWRRSA-N 2 0 345.478 2.496 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496817145 1101523087 /nfs/dbraw/zinc/52/30/87/1101523087.db2.gz SVDKLHFWUNQTHU-QFBILLFUSA-N 2 0 329.488 2.406 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001496840982 1101577959 /nfs/dbraw/zinc/57/79/59/1101577959.db2.gz AGWIIOFSSGIKQS-IRXDYDNUSA-N 2 0 332.492 2.153 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001446982664 1101698855 /nfs/dbraw/zinc/69/88/55/1101698855.db2.gz QKCGZCILNWDGGI-OAGGEKHMSA-N 2 0 343.462 2.154 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496130614 1102114595 /nfs/dbraw/zinc/11/45/95/1102114595.db2.gz KGQAPAUOCDYMMD-OAHLLOKOSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496130611 1102115308 /nfs/dbraw/zinc/11/53/08/1102115308.db2.gz KGQAPAUOCDYMMD-HNNXBMFYSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001447166326 1102119774 /nfs/dbraw/zinc/11/97/74/1102119774.db2.gz PANGGPDSCFMQCC-QZTJIDSGSA-N 2 0 349.519 2.105 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)c(C)o1 ZINC001497210178 1102131720 /nfs/dbraw/zinc/13/17/20/1102131720.db2.gz UHSCIJMGVJTCCL-CQSZACIVSA-N 2 0 348.491 2.152 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001497307011 1102289436 /nfs/dbraw/zinc/28/94/36/1102289436.db2.gz DZXFTUXNGXNLDT-WFASDCNBSA-N 2 0 326.872 2.060 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497486796 1102566158 /nfs/dbraw/zinc/56/61/58/1102566158.db2.gz UGKXNXWGJIXBIZ-HUUCEWRRSA-N 2 0 333.467 2.446 10 0 EEAERP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001447410064 1102606377 /nfs/dbraw/zinc/60/63/77/1102606377.db2.gz CLOQUPYQUZVACM-QGZVFWFLSA-N 2 0 330.476 2.037 10 0 EEAERP C[C@@H](F)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001447426215 1102633040 /nfs/dbraw/zinc/63/30/40/1102633040.db2.gz DBSPYNNDZFZRQQ-VQIMIIECSA-N 2 0 347.478 2.373 10 0 EEAERP CCC1([NH2+]C[C@H]2CC[C@@H](C)O2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001447430958 1102640764 /nfs/dbraw/zinc/64/07/64/1102640764.db2.gz UDFQWOJLNPKWFH-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccn1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595932 1102724051 /nfs/dbraw/zinc/72/40/51/1102724051.db2.gz HRGVAFCNFAIKID-UEKDZROGSA-N 2 0 342.487 2.251 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497611401 1102747885 /nfs/dbraw/zinc/74/78/85/1102747885.db2.gz JBFZMKOMQXKIIE-WYNBNGFRSA-N 2 0 327.472 2.466 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497622175 1102764324 /nfs/dbraw/zinc/76/43/24/1102764324.db2.gz WIZOWEXZPLZLNG-PHWHVTFISA-N 2 0 344.503 2.272 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]C/C=C\c2ccccc2)C1 ZINC001497733632 1102983595 /nfs/dbraw/zinc/98/35/95/1102983595.db2.gz ZFVOSCOJOJFVRB-FLNUQUAASA-N 2 0 327.472 2.304 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497816182 1103142445 /nfs/dbraw/zinc/14/24/45/1103142445.db2.gz LVVFJFSBOQPXRW-MSOLQXFVSA-N 2 0 347.503 2.341 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCc1ccccc1 ZINC001447778965 1103312817 /nfs/dbraw/zinc/31/28/17/1103312817.db2.gz YTFBQTFXXKEKKI-LJQANCHMSA-N 2 0 331.504 2.494 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494029785 1103384956 /nfs/dbraw/zinc/38/49/56/1103384956.db2.gz MSIGVQRHUSGLOO-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CCc1ccns1 ZINC001447881305 1103507173 /nfs/dbraw/zinc/50/71/73/1103507173.db2.gz HDRKQZGHFUZLQH-ZIAGYGMSSA-N 2 0 338.521 2.043 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447904236 1103559512 /nfs/dbraw/zinc/55/95/12/1103559512.db2.gz NSHVEUCKTHVKCW-NEPJUHHUSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@@H]([NH2+]CC1CCCCC1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001447907351 1103567208 /nfs/dbraw/zinc/56/72/08/1103567208.db2.gz LJQDCOMSLLDCPV-CVEARBPZSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001447915635 1103587230 /nfs/dbraw/zinc/58/72/30/1103587230.db2.gz XIUUBMCLLSSUIV-HZPDHXFCSA-N 2 0 339.524 2.016 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC/C=C/c1ccccc1 ZINC001494648239 1104232160 /nfs/dbraw/zinc/23/21/60/1104232160.db2.gz OWECHMKTZRDKKM-JWBVACMXSA-N 2 0 339.483 2.469 10 0 EEAERP CC(C)OCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001448264594 1104276735 /nfs/dbraw/zinc/27/67/35/1104276735.db2.gz MBODXHFUHSOYBI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001480702644 1106917681 /nfs/dbraw/zinc/91/76/81/1106917681.db2.gz SMPUWODUPANMFY-LSDHHAIUSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001480704031 1106919284 /nfs/dbraw/zinc/91/92/84/1106919284.db2.gz BRKVDNTUPISAAK-ROUUACIJSA-N 2 0 347.507 2.042 10 0 EEAERP Cc1ccc(OCCC[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)cc1C ZINC001480849262 1107258340 /nfs/dbraw/zinc/25/83/40/1107258340.db2.gz SKQLGRGHKLNHJU-LJQANCHMSA-N 2 0 347.503 2.215 10 0 EEAERP COC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001493118903 1107532667 /nfs/dbraw/zinc/53/26/67/1107532667.db2.gz IFNRVCFADWOLJJ-NVXWUHKLSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nccs1 ZINC001498502913 1107643659 /nfs/dbraw/zinc/64/36/59/1107643659.db2.gz HXWDJZVYIPGHIA-HUUCEWRRSA-N 2 0 338.521 2.248 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001498505356 1107649282 /nfs/dbraw/zinc/64/92/82/1107649282.db2.gz RNTLULINRVVLGH-SJORKVTESA-N 2 0 327.488 2.487 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001498557099 1107716539 /nfs/dbraw/zinc/71/65/39/1107716539.db2.gz YTGOFAZRDGVMBU-CVEARBPZSA-N 2 0 336.480 2.357 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001493253336 1107777791 /nfs/dbraw/zinc/77/77/91/1107777791.db2.gz QLKBKRWPRUHZEL-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP C[C@@H](F)CC[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001493392625 1108058713 /nfs/dbraw/zinc/05/87/13/1108058713.db2.gz SKYFILVCNUGQTK-CQSZACIVSA-N 2 0 345.422 2.210 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)c(C)n1 ZINC001498781573 1108089723 /nfs/dbraw/zinc/08/97/23/1108089723.db2.gz NYHDPMPAKAOOTA-RTBURBONSA-N 2 0 344.503 2.167 10 0 EEAERP CC[C@@H](C)C[N@H+](CCNC(=O)[C@H]1CCn2c(C)ncc2C1)C1CC1 ZINC001493415285 1108113297 /nfs/dbraw/zinc/11/32/97/1108113297.db2.gz XQIMDBAZXZTLHL-ZBFHGGJFSA-N 2 0 332.492 2.381 10 0 EEAERP O=C(NCC[N@H+](CCOC1CCC1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001493429252 1108142768 /nfs/dbraw/zinc/14/27/68/1108142768.db2.gz HQJUTHLCXGVZEQ-PKOBYXMFSA-N 2 0 349.519 2.153 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC001498897592 1108293424 /nfs/dbraw/zinc/29/34/24/1108293424.db2.gz HCWZEJMGAJCXCZ-HKUYNNGSSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001493552199 1108303311 /nfs/dbraw/zinc/30/33/11/1108303311.db2.gz ZIJYKSSCKGQEAE-RBSFLKMASA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c(C)n1 ZINC001493589407 1108365057 /nfs/dbraw/zinc/36/50/57/1108365057.db2.gz GFGBWXIUJSVLRR-OALUTQOASA-N 2 0 344.503 2.263 10 0 EEAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493725342 1108571819 /nfs/dbraw/zinc/57/18/19/1108571819.db2.gz KNADKPKKUQXYRS-CHWSQXEVSA-N 2 0 334.291 2.370 10 0 EEAERP CN(CC[NH2+]CCCc1cccc(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493760988 1108635292 /nfs/dbraw/zinc/63/52/92/1108635292.db2.gz HEBAZMUCWSBMOU-QGZVFWFLSA-N 2 0 335.467 2.148 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1 ZINC001493806872 1108687843 /nfs/dbraw/zinc/68/78/43/1108687843.db2.gz RBKOCTYWAHTADP-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC(F)(F)CC1)C(=O)C[NH+]1CCCC1 ZINC001479269765 1110672800 /nfs/dbraw/zinc/67/28/00/1110672800.db2.gz ANQNYELJTOKSFL-INIZCTEOSA-N 2 0 343.462 2.440 10 0 EEAERP CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001479339944 1110683346 /nfs/dbraw/zinc/68/33/46/1110683346.db2.gz APWSHMZDRFTGQD-KDURUIRLSA-N 2 0 329.488 2.329 10 0 EEAERP O=C(NCC1([NH2+]Cc2cccc(F)c2F)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001499229207 1112189398 /nfs/dbraw/zinc/18/93/98/1112189398.db2.gz TWSOWMVGZZBXEZ-HNNXBMFYSA-N 2 0 349.425 2.045 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CCCC2)on1 ZINC001500088406 1112612109 /nfs/dbraw/zinc/61/21/09/1112612109.db2.gz LOUXMKINXBFEHM-ZTFGCOKTSA-N 2 0 348.491 2.088 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001500519948 1112911907 /nfs/dbraw/zinc/91/19/07/1112911907.db2.gz VQGUXWAFJYGTGW-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001501147641 1113215195 /nfs/dbraw/zinc/21/51/95/1113215195.db2.gz ZKMQYIVXJNIMHL-GOEBONIOSA-N 2 0 345.478 2.448 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001501153015 1113217288 /nfs/dbraw/zinc/21/72/88/1113217288.db2.gz JCCUHFXXRZYLNN-IRXDYDNUSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001501153040 1113217377 /nfs/dbraw/zinc/21/73/77/1113217377.db2.gz JHWDXZMDGYSSJX-PKOBYXMFSA-N 2 0 329.488 2.009 10 0 EEAERP C[C@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001501171803 1113227228 /nfs/dbraw/zinc/22/72/28/1113227228.db2.gz HYLDOFVZPVAGML-TXTZMMAHSA-N 2 0 339.499 2.436 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCC1CCOCC1 ZINC001502986593 1113867569 /nfs/dbraw/zinc/86/75/69/1113867569.db2.gz KZZXHAUOOUVGAM-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001503646038 1113894152 /nfs/dbraw/zinc/89/41/52/1113894152.db2.gz WGLPIOXFFORRCN-ZDUSSCGKSA-N 2 0 326.872 2.060 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001505516597 1114032207 /nfs/dbraw/zinc/03/22/07/1114032207.db2.gz CEZGUGXCUKWJFV-ZRZPHAQCSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001505677681 1114125614 /nfs/dbraw/zinc/12/56/14/1114125614.db2.gz IATOEDDPJVOKLX-QWHCGFSZSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@@H]([NH2+]CCOCc1ccccc1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685030 1114129798 /nfs/dbraw/zinc/12/97/98/1114129798.db2.gz DIVXGXZGVOCGEL-SJORKVTESA-N 2 0 347.503 2.028 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001505716427 1114148306 /nfs/dbraw/zinc/14/83/06/1114148306.db2.gz HEZHESORZDBRKW-DLBZAZTESA-N 2 0 347.503 2.410 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001505988392 1114323641 /nfs/dbraw/zinc/32/36/41/1114323641.db2.gz KQBAWXYDJUIXPX-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC001505993184 1114326749 /nfs/dbraw/zinc/32/67/49/1114326749.db2.gz QHNXEFMRPQFZHD-FUHWJXTLSA-N 2 0 331.504 2.495 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001506478659 1114637664 /nfs/dbraw/zinc/63/76/64/1114637664.db2.gz AQCZMZWNJBBELU-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506546870 1114689306 /nfs/dbraw/zinc/68/93/06/1114689306.db2.gz ZQALEANLYKQBRL-BPQIPLTHSA-N 2 0 332.492 2.186 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CCC1 ZINC001506886641 1114951113 /nfs/dbraw/zinc/95/11/13/1114951113.db2.gz ODDAMYCGMLSZSS-UYTYNIKBSA-N 2 0 333.520 2.391 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001506886834 1114951131 /nfs/dbraw/zinc/95/11/31/1114951131.db2.gz ROOSEHAVUKRQQK-JCNLHEQBSA-N 2 0 333.451 2.294 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506913940 1114968657 /nfs/dbraw/zinc/96/86/57/1114968657.db2.gz KFHCPKVDJOXPEM-CXAGYDPISA-N 2 0 334.464 2.021 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938085 1114987853 /nfs/dbraw/zinc/98/78/53/1114987853.db2.gz KWBCGGRCBNIOCI-KGLIPLIRSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccnc1 ZINC001506990472 1115035766 /nfs/dbraw/zinc/03/57/66/1115035766.db2.gz PRBAQZZGNQDCSP-YTQUADARSA-N 2 0 346.519 2.432 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001507161419 1115141488 /nfs/dbraw/zinc/14/14/88/1115141488.db2.gz JYHMLOYIDFPAGO-CYBMUJFWSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001507299314 1115180599 /nfs/dbraw/zinc/18/05/99/1115180599.db2.gz VDXMNDGFDZEQTM-PKOBYXMFSA-N 2 0 344.503 2.427 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)CN1C(=O)CCC[NH+](C)C ZINC001507322978 1115192200 /nfs/dbraw/zinc/19/22/00/1115192200.db2.gz VGOVSESYPFZADZ-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001507434313 1115267049 /nfs/dbraw/zinc/26/70/49/1115267049.db2.gz UOMHPCHBTUWLDF-KBPBESRZSA-N 2 0 347.425 2.107 10 0 EEAERP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)CC1 ZINC001507443585 1115272487 /nfs/dbraw/zinc/27/24/87/1115272487.db2.gz QAIZLZIXIOUGOI-ZDUSSCGKSA-N 2 0 335.414 2.107 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001508083697 1115415648 /nfs/dbraw/zinc/41/56/48/1115415648.db2.gz ZUBFUHWHDVGRJV-INIZCTEOSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001508087627 1115416817 /nfs/dbraw/zinc/41/68/17/1115416817.db2.gz QKZZVPJEXKNZMF-LSDHHAIUSA-N 2 0 349.441 2.496 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567922081 1124181682 /nfs/dbraw/zinc/18/16/82/1124181682.db2.gz LTEAZSATVDXOEC-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2nccs2)C1 ZINC001568077318 1124282021 /nfs/dbraw/zinc/28/20/21/1124282021.db2.gz YUELNGSHWBMFPW-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(NCc1ccc(C[NH2+]C/C=C\Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001568118460 1124311922 /nfs/dbraw/zinc/31/19/22/1124311922.db2.gz TZURLUJRQHXVED-PWYIEZDJSA-N 2 0 347.890 2.487 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001568176235 1124340894 /nfs/dbraw/zinc/34/08/94/1124340894.db2.gz RKEWTRMDDSUJRW-KRWDZBQOSA-N 2 0 331.504 2.364 10 0 EEAERP CCOCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001568238260 1124380067 /nfs/dbraw/zinc/38/00/67/1124380067.db2.gz ZVJPVZVWDDZONK-UHFFFAOYSA-N 2 0 337.508 2.060 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001568650903 1124662147 /nfs/dbraw/zinc/66/21/47/1124662147.db2.gz FLWZBRDQELKBHN-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568708143 1124724201 /nfs/dbraw/zinc/72/42/01/1124724201.db2.gz AUXVCCMXEGCWJE-RYUDHWBXSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568851818 1124873195 /nfs/dbraw/zinc/87/31/95/1124873195.db2.gz MCBOFGKXMVOVRG-PJHKVULZSA-N 2 0 329.488 2.406 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCC1CCOCC1)C12CCC[NH+]1CCC2 ZINC001568879539 1124906010 /nfs/dbraw/zinc/90/60/10/1124906010.db2.gz ILRZNILAGKKZFW-UPHRSURJSA-N 2 0 349.519 2.084 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568949871 1124983001 /nfs/dbraw/zinc/98/30/01/1124983001.db2.gz GMFZXLFJUTXTCQ-MSIWKICXSA-N 2 0 344.503 2.272 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cc(Cl)ccc1F ZINC001568964112 1124999474 /nfs/dbraw/zinc/99/94/74/1124999474.db2.gz OUTZXZRHZSQINN-OWOJBTEDSA-N 2 0 339.842 2.337 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)co1 ZINC001569203009 1125160959 /nfs/dbraw/zinc/16/09/59/1125160959.db2.gz MZNRQMMWIJWANF-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)no1 ZINC001569217969 1125173206 /nfs/dbraw/zinc/17/32/06/1125173206.db2.gz DGMRERGGEYAUIN-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(N[C@H](C[NH2+]CCc1ccccc1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001569326698 1125231455 /nfs/dbraw/zinc/23/14/55/1125231455.db2.gz VOLFSJRQVPVSSW-CTNGQTDRSA-N 2 0 341.499 2.199 10 0 EEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055078579 214271323 /nfs/dbraw/zinc/27/13/23/214271323.db2.gz SRIOIOOKKRMNCZ-LBPRGKRZSA-N 2 0 330.270 2.316 10 0 EEAERP C[NH+](Cc1cccc(C[N@@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000186784766 529993645 /nfs/dbraw/zinc/99/36/45/529993645.db2.gz MVBVAPOCSAMKPU-UHFFFAOYSA-N 2 0 332.488 2.095 10 0 EEAERP C[C@H](CCN1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000178307818 539566149 /nfs/dbraw/zinc/56/61/49/539566149.db2.gz DBINVMKUOSFRSE-VAMGGRTRSA-N 2 0 334.552 2.105 10 0 EEAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376489627 291061722 /nfs/dbraw/zinc/06/17/22/291061722.db2.gz CZXIQSKXQSUFQN-FCCDEINASA-N 2 0 334.508 2.272 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071879 240349768 /nfs/dbraw/zinc/34/97/68/240349768.db2.gz GFHGPCTWBZDJSB-GBESFXJTSA-N 2 0 338.467 2.243 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)c1 ZINC000422879596 240272215 /nfs/dbraw/zinc/27/22/15/240272215.db2.gz VPKAERQLBBWDLD-SPYBWZPUSA-N 2 0 333.476 2.247 10 0 EEAERP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000425365436 241140683 /nfs/dbraw/zinc/14/06/83/241140683.db2.gz YIHBLBSYKHEKNW-ZWKOTPCHSA-N 2 0 347.528 2.496 10 0 EEAERP COCC[N@@H+]1CCC[C@]2(CC[NH+](CCCn3nc(C)cc3C)C2)C1 ZINC000020862767 212178879 /nfs/dbraw/zinc/17/88/79/212178879.db2.gz JKMZRCNNEZCYDB-LJQANCHMSA-N 2 0 334.508 2.324 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000246733917 243301871 /nfs/dbraw/zinc/30/18/71/243301871.db2.gz VWFUPEQGJIGAOM-MHORFTMASA-N 2 0 347.507 2.424 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000369917689 284341603 /nfs/dbraw/zinc/34/16/03/284341603.db2.gz CBXJBXJDONBLNG-KRWDZBQOSA-N 2 0 344.503 2.407 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000079732761 217251957 /nfs/dbraw/zinc/25/19/57/217251957.db2.gz LMDYTZPSECFDDU-LJQANCHMSA-N 2 0 346.519 2.143 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957963 285664287 /nfs/dbraw/zinc/66/42/87/285664287.db2.gz WIAODMXUWVUQNY-NVXWUHKLSA-N 2 0 334.460 2.285 10 0 EEAERP CN(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)Cc1ccc(F)cc1 ZINC000173211231 152152287 /nfs/dbraw/zinc/15/22/87/152152287.db2.gz IMKCPEYZHGXNHY-UHFFFAOYSA-N 2 0 349.494 2.302 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1nnc2ccccn21 ZINC000248873489 160365752 /nfs/dbraw/zinc/36/57/52/160365752.db2.gz LAWSEAOGINOXPP-NVXWUHKLSA-N 2 0 336.443 2.125 10 0 EEAERP C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000107836633 159337003 /nfs/dbraw/zinc/33/70/03/159337003.db2.gz HPYRCWYXGSNWOS-MSOLQXFVSA-N 2 0 336.524 2.378 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000192804702 160174247 /nfs/dbraw/zinc/17/42/47/160174247.db2.gz RHSGCFIXVNZZEI-RBUKOAKNSA-N 2 0 333.524 2.373 10 0 EEAERP CC(C)([NH3+])CC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000236576465 160218845 /nfs/dbraw/zinc/21/88/45/160218845.db2.gz ZLHIKSLJCAEENM-GFCCVEGCSA-N 2 0 325.403 2.173 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246934147 160301625 /nfs/dbraw/zinc/30/16/25/160301625.db2.gz MTWQQPCOBWYGOR-OALUTQOASA-N 2 0 331.504 2.350 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000247108531 160310846 /nfs/dbraw/zinc/31/08/46/160310846.db2.gz IPYNLVDRIKAPNZ-NJAFHUGGSA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000368168254 166062176 /nfs/dbraw/zinc/06/21/76/166062176.db2.gz SKIOQGFGLBKHRI-MJGOQNOKSA-N 2 0 333.451 2.419 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C1 ZINC000376019707 167246919 /nfs/dbraw/zinc/24/69/19/167246919.db2.gz RHHBBINESJTZBQ-BFWZDYSYSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000278434959 269231682 /nfs/dbraw/zinc/23/16/82/269231682.db2.gz JUMGXACFBUGGRX-ICSRJNTNSA-N 2 0 343.515 2.351 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)ccc1F ZINC000237062812 274086916 /nfs/dbraw/zinc/08/69/16/274086916.db2.gz IWRRNJXESDCOOE-LJQANCHMSA-N 2 0 341.430 2.391 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000271535079 274139746 /nfs/dbraw/zinc/13/97/46/274139746.db2.gz SNQREDCNDLRYFS-HHXXYDBFSA-N 2 0 327.472 2.250 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277453921 274293862 /nfs/dbraw/zinc/29/38/62/274293862.db2.gz GLWHOTNTDQFYGB-QGZVFWFLSA-N 2 0 345.487 2.374 10 0 EEAERP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000289654464 275136081 /nfs/dbraw/zinc/13/60/81/275136081.db2.gz COOAYNNBJSTAQF-IBGZPJMESA-N 2 0 349.519 2.156 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000453240777 290214734 /nfs/dbraw/zinc/21/47/34/290214734.db2.gz SKMRWRXCLMYGHJ-LMNGEROHSA-N 2 0 328.522 2.052 10 0 EEAERP CCC[C@@]1([NH2+]CC2(C[NH2+][C@]3(CCC)CCOC3)COC2)CCOC1 ZINC000352822854 312387024 /nfs/dbraw/zinc/38/70/24/312387024.db2.gz HOMHRHCIGOPSAF-RTBURBONSA-N 2 0 340.508 2.101 10 0 EEAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000414700229 313066600 /nfs/dbraw/zinc/06/66/00/313066600.db2.gz JGHJQDQMJPRYSK-IXDOHACOSA-N 2 0 330.476 2.429 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764117 313080521 /nfs/dbraw/zinc/08/05/21/313080521.db2.gz NYBMLRZPSDSTEV-UONOGXRCSA-N 2 0 347.425 2.238 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416807573 313320975 /nfs/dbraw/zinc/32/09/75/313320975.db2.gz HFFCIXZFKNMHQP-IAGOWNOFSA-N 2 0 346.475 2.343 10 0 EEAERP CCC[NH2+]CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416906823 313356654 /nfs/dbraw/zinc/35/66/54/313356654.db2.gz SYXYOXSUTQLMDQ-UHFFFAOYSA-N 2 0 332.492 2.471 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+]1CCCC1 ZINC000416941607 313368148 /nfs/dbraw/zinc/36/81/48/313368148.db2.gz AJHXWYQVRXFRDL-KSZLIROESA-N 2 0 336.524 2.280 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000417013626 313394204 /nfs/dbraw/zinc/39/42/04/313394204.db2.gz YWOGTGLZXWXBPV-MOPGFXCFSA-N 2 0 346.519 2.381 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417392086 313501354 /nfs/dbraw/zinc/50/13/54/313501354.db2.gz OMMUDKQWVGCDGH-UHFFFAOYSA-N 2 0 346.519 2.321 10 0 EEAERP [NH3+][C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418447652 313816330 /nfs/dbraw/zinc/81/63/30/313816330.db2.gz ITMUFLLMMPJJMY-ZWKOTPCHSA-N 2 0 330.476 2.346 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)N1CC[NH+](C)CC1 ZINC000527859326 317276232 /nfs/dbraw/zinc/27/62/32/317276232.db2.gz PTZJIPYRUWJEIM-IRXDYDNUSA-N 2 0 341.503 2.374 10 0 EEAERP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000527950614 317291397 /nfs/dbraw/zinc/29/13/97/317291397.db2.gz AKRJBUYRXUJZJP-USYVTKNRSA-N 2 0 330.472 2.312 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)[C@@H]2CCCO2)CC1 ZINC000527955782 317293140 /nfs/dbraw/zinc/29/31/40/317293140.db2.gz RZJFPHYVYMFVGY-UXPWSPDFSA-N 2 0 332.488 2.212 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC12CC2 ZINC000528318359 317360208 /nfs/dbraw/zinc/36/02/08/317360208.db2.gz ICAZWHLEEUIXKZ-GOSISDBHSA-N 2 0 342.487 2.290 10 0 EEAERP COc1ccc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239726 317703480 /nfs/dbraw/zinc/70/34/80/317703480.db2.gz UNIPQKUWAUFDOB-LJQANCHMSA-N 2 0 334.460 2.165 10 0 EEAERP CN1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000566791759 319321409 /nfs/dbraw/zinc/32/14/09/319321409.db2.gz GILCXSQWIRBFJP-STQMWFEESA-N 2 0 332.366 2.129 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000570617683 319681149 /nfs/dbraw/zinc/68/11/49/319681149.db2.gz ILVRNTOKFIMTBO-NEWSRXKRSA-N 2 0 344.503 2.429 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000578226100 320302076 /nfs/dbraw/zinc/30/20/76/320302076.db2.gz IHPPIOWYUZCWCX-YJBOKZPZSA-N 2 0 330.476 2.080 10 0 EEAERP CCc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000579085259 323771697 /nfs/dbraw/zinc/77/16/97/323771697.db2.gz HNJRCBUHQDEEJY-UHFFFAOYSA-N 2 0 336.480 2.215 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2)ccc1F ZINC000580543798 324083594 /nfs/dbraw/zinc/08/35/94/324083594.db2.gz SAOQQELAZMTLET-KRWDZBQOSA-N 2 0 332.419 2.417 10 0 EEAERP C[C@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000341186364 465040341 /nfs/dbraw/zinc/04/03/41/465040341.db2.gz UCEPMZJQQYOCEV-XJKSGUPXSA-N 2 0 336.455 2.169 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000578885131 468274381 /nfs/dbraw/zinc/27/43/81/468274381.db2.gz GKCAYIJMSVVNPB-CTWPCTMYSA-N 2 0 345.487 2.226 10 0 EEAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCc2ccccc21 ZINC000064508625 462708541 /nfs/dbraw/zinc/70/85/41/462708541.db2.gz PUSTUXVCJQXVRX-IBGZPJMESA-N 2 0 327.472 2.349 10 0 EEAERP CCOC(=O)CCCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000117881257 462814690 /nfs/dbraw/zinc/81/46/90/462814690.db2.gz NQMKCTDAHLCVHU-SFHVURJKSA-N 2 0 339.524 2.212 10 0 EEAERP O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970580 462844458 /nfs/dbraw/zinc/84/44/58/462844458.db2.gz DOVSGBPGBMDLCA-SFHVURJKSA-N 2 0 336.451 2.373 10 0 EEAERP CC[NH+]1CCC(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000118763509 462851431 /nfs/dbraw/zinc/85/14/31/462851431.db2.gz HIVLIEMAQHPWOO-UHFFFAOYSA-N 2 0 344.503 2.043 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000133675208 462958830 /nfs/dbraw/zinc/95/88/30/462958830.db2.gz VDMIHRMPPQIBHR-SFHVURJKSA-N 2 0 338.540 2.386 10 0 EEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000121135123 463085444 /nfs/dbraw/zinc/08/54/44/463085444.db2.gz MSCJGBUCNANPCX-HNNXBMFYSA-N 2 0 336.476 2.228 10 0 EEAERP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174753 463091954 /nfs/dbraw/zinc/09/19/54/463091954.db2.gz KSLCFFWIKDXHEO-FUHWJXTLSA-N 2 0 332.492 2.320 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170835383 463719040 /nfs/dbraw/zinc/71/90/40/463719040.db2.gz AZUORVSRQMFUAK-MOPGFXCFSA-N 2 0 344.503 2.477 10 0 EEAERP Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2[nH+]1 ZINC000268384040 463724679 /nfs/dbraw/zinc/72/46/79/463724679.db2.gz KDTJCNLUISQUCV-UHFFFAOYSA-N 2 0 326.444 2.144 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000261827121 463871274 /nfs/dbraw/zinc/87/12/74/463871274.db2.gz OLQINNIYVIDRSI-APWZRJJASA-N 2 0 344.503 2.028 10 0 EEAERP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261875844 463884510 /nfs/dbraw/zinc/88/45/10/463884510.db2.gz DRJAIHLIQLDXJP-IPMKNSEASA-N 2 0 348.487 2.267 10 0 EEAERP C[C@H]1C[C@@H](N(C)Cc2noc(CN)n2)CC[N@@H+]1Cc1ccccc1 ZINC000262225825 463977530 /nfs/dbraw/zinc/97/75/30/463977530.db2.gz NFPWKWUWMSXZOA-HOCLYGCPSA-N 2 0 329.448 2.013 10 0 EEAERP CCC(CC)[C@H](CNC(=O)C1(COC)CC[NH2+]CC1)[NH+]1CCCC1 ZINC000262377542 464014440 /nfs/dbraw/zinc/01/44/40/464014440.db2.gz NFJXRVNVJBVYCM-KRWDZBQOSA-N 2 0 339.524 2.019 10 0 EEAERP [NH3+]C1(CC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CCC1 ZINC000238007515 464418440 /nfs/dbraw/zinc/41/84/40/464418440.db2.gz WVBQADUJCKNZDB-CYBMUJFWSA-N 2 0 337.414 2.317 10 0 EEAERP [NH3+][C@H]1CCC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000238039582 464423695 /nfs/dbraw/zinc/42/36/95/464423695.db2.gz XRUYABKTUDMZRI-HOTGVXAUSA-N 2 0 339.549 2.372 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000181064665 464440962 /nfs/dbraw/zinc/44/09/62/464440962.db2.gz FHTGPKCURNABEG-KRWDZBQOSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000246353228 464573928 /nfs/dbraw/zinc/57/39/28/464573928.db2.gz PLKAYHOOXQDIPB-MHORFTMASA-N 2 0 334.508 2.009 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246353247 464574277 /nfs/dbraw/zinc/57/42/77/464574277.db2.gz PLKAYHOOXQDIPB-XMTFNYHQSA-N 2 0 334.508 2.009 10 0 EEAERP CN(CC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000191985821 464841624 /nfs/dbraw/zinc/84/16/24/464841624.db2.gz RDLDJUQQQMGHLN-INIZCTEOSA-N 2 0 339.524 2.209 10 0 EEAERP O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)CN1 ZINC000346168513 465955675 /nfs/dbraw/zinc/95/56/75/465955675.db2.gz LHYJZRLAPYYVEJ-XJKSGUPXSA-N 2 0 330.457 2.424 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000372203676 466223878 /nfs/dbraw/zinc/22/38/78/466223878.db2.gz JAWSMBTUDPFEOP-QZTJIDSGSA-N 2 0 348.466 2.354 10 0 EEAERP c1[nH]nc2c1[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)CCC2 ZINC000367537588 466400485 /nfs/dbraw/zinc/40/04/85/466400485.db2.gz HBFCALPPMVJHJM-SFHVURJKSA-N 2 0 326.444 2.409 10 0 EEAERP C[C@@H](c1ccccc1)N1CCN(C(=O)CN(C)C[C@H]2CCCO2)CC1 ZINC000339004729 466562723 /nfs/dbraw/zinc/56/27/23/466562723.db2.gz FBMIXUKJUWANLF-PKOBYXMFSA-N 2 0 345.487 2.003 10 0 EEAERP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253462 472042238 /nfs/dbraw/zinc/04/22/38/472042238.db2.gz WCUSEHYAKBIWPZ-LLVKDONJSA-N 2 0 331.279 2.463 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417253723 466816401 /nfs/dbraw/zinc/81/64/01/466816401.db2.gz LYEDGSULXNGDBN-SFNKJDCFSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H](CC[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417587458 466888011 /nfs/dbraw/zinc/88/80/11/466888011.db2.gz SHQSDRYCZMOELA-CCNLRDMRSA-N 2 0 330.476 2.219 10 0 EEAERP C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@H+](C)Cc1ccccc1 ZINC000417588219 466888104 /nfs/dbraw/zinc/88/81/04/466888104.db2.gz OSONSROYJKPUKK-YTQUADARSA-N 2 0 344.503 2.148 10 0 EEAERP C[NH2+][C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417592979 466890794 /nfs/dbraw/zinc/89/07/94/466890794.db2.gz YTICDTHODOMNSL-QBUWPKIASA-N 2 0 342.487 2.185 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000417741460 466922125 /nfs/dbraw/zinc/92/21/25/466922125.db2.gz UMODHYZULFZPPE-CABCVRRESA-N 2 0 344.459 2.447 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000417890417 466972903 /nfs/dbraw/zinc/97/29/03/466972903.db2.gz PSISKAMMRDNZDW-IBGZPJMESA-N 2 0 346.519 2.177 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417986466 467011839 /nfs/dbraw/zinc/01/18/39/467011839.db2.gz GSUNYNXHJNXITQ-ZWOKBUDYSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424292051 467024042 /nfs/dbraw/zinc/02/40/42/467024042.db2.gz NYQRLQWTVHMPKB-CABCVRRESA-N 2 0 333.451 2.467 10 0 EEAERP C[C@H]1CN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418046769 467033521 /nfs/dbraw/zinc/03/35/21/467033521.db2.gz QZPNKYAFGTUQNV-LPHOPBHVSA-N 2 0 330.476 2.044 10 0 EEAERP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000377128021 467036366 /nfs/dbraw/zinc/03/63/66/467036366.db2.gz NXKQOZKHHAGTJD-GUDVDZBRSA-N 2 0 331.460 2.486 10 0 EEAERP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000418070072 467038201 /nfs/dbraw/zinc/03/82/01/467038201.db2.gz TXZVVIZRBYSRBE-JKSUJKDBSA-N 2 0 332.492 2.453 10 0 EEAERP CN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418379976 467101767 /nfs/dbraw/zinc/10/17/67/467101767.db2.gz DTIRDKYQOUBRQN-ABHNRTSZSA-N 2 0 330.476 2.172 10 0 EEAERP COCC(C)(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000425505193 467101945 /nfs/dbraw/zinc/10/19/45/467101945.db2.gz NNLZXNZZYIWXKO-IBGZPJMESA-N 2 0 331.504 2.304 10 0 EEAERP CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418525159 467123688 /nfs/dbraw/zinc/12/36/88/467123688.db2.gz XMAXEUBQADXCRR-GOSISDBHSA-N 2 0 344.503 2.292 10 0 EEAERP C[NH+]1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000425727668 467127355 /nfs/dbraw/zinc/12/73/55/467127355.db2.gz RKNKIWWBJQOOJY-INDMIFKZSA-N 2 0 342.487 2.167 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418564123 467129292 /nfs/dbraw/zinc/12/92/92/467129292.db2.gz WNNMWYYCQVUOET-AOIWGVFYSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418582617 467131832 /nfs/dbraw/zinc/13/18/32/467131832.db2.gz ABURMXAKMGPOQC-FUHWJXTLSA-N 2 0 336.524 2.282 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000418644332 467139815 /nfs/dbraw/zinc/13/98/15/467139815.db2.gz CASWACXJAPZJHG-HDMKZQKVSA-N 2 0 332.492 2.373 10 0 EEAERP O=C(NCCN1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427498078 467160719 /nfs/dbraw/zinc/16/07/19/467160719.db2.gz CEOBNNFSPGISAD-GOSISDBHSA-N 2 0 347.890 2.441 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000382739702 467378280 /nfs/dbraw/zinc/37/82/80/467378280.db2.gz LSDCARABSBNNBS-OALUTQOASA-N 2 0 329.488 2.357 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000397585590 467443409 /nfs/dbraw/zinc/44/34/09/467443409.db2.gz IWXALPVRJMBHFF-PKOBYXMFSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414881915 467445530 /nfs/dbraw/zinc/44/55/30/467445530.db2.gz LRIMDKVMDOESMM-CQSZACIVSA-N 2 0 327.419 2.104 10 0 EEAERP COC1([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000453146963 467464415 /nfs/dbraw/zinc/46/44/15/467464415.db2.gz JPRJKECXZMHMFY-INIZCTEOSA-N 2 0 333.476 2.472 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396713 467638080 /nfs/dbraw/zinc/63/80/80/467638080.db2.gz MKDKTTMKGOPPFW-JBACZVJFSA-N 2 0 345.531 2.333 10 0 EEAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)NC ZINC000449767878 467711954 /nfs/dbraw/zinc/71/19/54/467711954.db2.gz BGBRPSDBNUYHCA-CADBVGFASA-N 2 0 329.488 2.401 10 0 EEAERP CCC[C@H](O)[C@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519763050 468205837 /nfs/dbraw/zinc/20/58/37/468205837.db2.gz CDYQHXMATMAWJC-QYZOEREBSA-N 2 0 332.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000578743116 468248874 /nfs/dbraw/zinc/24/88/74/468248874.db2.gz GLVUFAAFFDCJKS-FHWLQOOXSA-N 2 0 338.455 2.431 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000569558414 468509129 /nfs/dbraw/zinc/50/91/29/468509129.db2.gz GFWZAWPDGJYSQE-QAPCUYQASA-N 2 0 330.476 2.080 10 0 EEAERP COC(=O)c1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000594615624 468638342 /nfs/dbraw/zinc/63/83/42/468638342.db2.gz SECBJCRGTNLTGG-UHFFFAOYSA-N 2 0 349.475 2.023 10 0 EEAERP CN(CCC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000557646875 468644048 /nfs/dbraw/zinc/64/40/48/468644048.db2.gz WGVFVDCTJXWHPN-UHFFFAOYSA-N 2 0 338.455 2.251 10 0 EEAERP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000583121299 468646070 /nfs/dbraw/zinc/64/60/70/468646070.db2.gz QHIYMAIEAKEOFG-UHFFFAOYSA-N 2 0 338.415 2.429 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000594939819 468727275 /nfs/dbraw/zinc/72/72/75/468727275.db2.gz FMDXDTYCOQKKIS-GDIGMMSISA-N 2 0 346.471 2.447 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000583865908 468767468 /nfs/dbraw/zinc/76/74/68/468767468.db2.gz SEEROLUXGSRDIX-AOHSKODXSA-N 2 0 347.503 2.460 10 0 EEAERP C[N@H+](CCCCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1CC1 ZINC000625939878 469442434 /nfs/dbraw/zinc/44/24/34/469442434.db2.gz UQINGVFXELIPAO-UHFFFAOYSA-N 2 0 332.448 2.165 10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCCCC1 ZINC000625944180 469444796 /nfs/dbraw/zinc/44/47/96/469444796.db2.gz OWBQFJHMKQRAJD-HNNXBMFYSA-N 2 0 346.475 2.412 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000623054330 469535237 /nfs/dbraw/zinc/53/52/37/469535237.db2.gz KABQPZKSMGYYGT-UHFFFAOYSA-N 2 0 341.459 2.445 10 0 EEAERP Cc1cncn1CC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000626485619 469622931 /nfs/dbraw/zinc/62/29/31/469622931.db2.gz GMDWUNCRIBTLLW-GOSISDBHSA-N 2 0 328.460 2.464 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606700187 469633287 /nfs/dbraw/zinc/63/32/87/469633287.db2.gz DSIQAGXDSQMCFH-INIZCTEOSA-N 2 0 338.540 2.480 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccncc3)CC2)CC1(C)C ZINC000623365286 469635982 /nfs/dbraw/zinc/63/59/82/469635982.db2.gz OBEDNUJNOOPLLD-KRWDZBQOSA-N 2 0 330.476 2.149 10 0 EEAERP CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617555212 469725708 /nfs/dbraw/zinc/72/57/08/469725708.db2.gz RGCAASSCAYONAW-QGZVFWFLSA-N 2 0 330.476 2.159 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)[NH+](C)C)cc1 ZINC000626921896 469754335 /nfs/dbraw/zinc/75/43/35/469754335.db2.gz LUUGAAVSUOKAPR-KSZLIROESA-N 2 0 332.492 2.291 10 0 EEAERP CC[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)[N@@H+]1CCc2ccccc2C1 ZINC000626935044 469760956 /nfs/dbraw/zinc/76/09/56/469760956.db2.gz VRIUTZBDFDWVBL-GBESFXJTSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000626991613 469779749 /nfs/dbraw/zinc/77/97/49/469779749.db2.gz JDUUBWDBNFNDBZ-JFIYKMOQSA-N 2 0 332.492 2.337 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131436 469821248 /nfs/dbraw/zinc/82/12/48/469821248.db2.gz DJZGJXJDRSECCY-OAHLLOKOSA-N 2 0 336.505 2.106 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627166649 469831727 /nfs/dbraw/zinc/83/17/27/469831727.db2.gz HZSVVYSCELKZQE-CEXWTWQISA-N 2 0 344.503 2.290 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[NH2+]1 ZINC000627195033 469840629 /nfs/dbraw/zinc/84/06/29/469840629.db2.gz IUNARJCDLRVRQT-HOCLYGCPSA-N 2 0 336.455 2.039 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2COCCN2C)CC1 ZINC000624176428 469865363 /nfs/dbraw/zinc/86/53/63/469865363.db2.gz LEOFBLGTVNVYCS-FXAWDEMLSA-N 2 0 331.504 2.002 10 0 EEAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000624265186 469892541 /nfs/dbraw/zinc/89/25/41/469892541.db2.gz OHEDAMFGLXNCCH-IBGZPJMESA-N 2 0 346.519 2.135 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000624547626 469974315 /nfs/dbraw/zinc/97/43/15/469974315.db2.gz PBEGJGUFKRYNFJ-GDBMZVCRSA-N 2 0 332.492 2.381 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000625250910 470105198 /nfs/dbraw/zinc/10/51/98/470105198.db2.gz AFFAGHUGJBJPLO-LBPRGKRZSA-N 2 0 332.370 2.390 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634649183 470274779 /nfs/dbraw/zinc/27/47/79/470274779.db2.gz ILAOJWSLVKGVGL-ICSRJNTNSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638852657 470305181 /nfs/dbraw/zinc/30/51/81/470305181.db2.gz LZGBVHVKCYVGRR-QRQLOZEOSA-N 2 0 329.488 2.260 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000638915318 470326464 /nfs/dbraw/zinc/32/64/64/470326464.db2.gz JALLXNVTWBAUPR-OAHLLOKOSA-N 2 0 339.443 2.133 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)COC2(C)C[NH2+]C2)CCCC1)c1ccccc1 ZINC000649331720 470549075 /nfs/dbraw/zinc/54/90/75/470549075.db2.gz RNAYYSNREFXMGV-INIZCTEOSA-N 2 0 345.487 2.145 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000646192954 470560749 /nfs/dbraw/zinc/56/07/49/470560749.db2.gz RJTIGDGDIWDMPJ-PKOBYXMFSA-N 2 0 342.487 2.271 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000646931241 470781133 /nfs/dbraw/zinc/78/11/33/470781133.db2.gz YFKFBNMYTJTFDM-OTWHNJEPSA-N 2 0 327.472 2.204 10 0 EEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647166471 470846145 /nfs/dbraw/zinc/84/61/45/470846145.db2.gz PCOYXMVDVARSPC-CYBMUJFWSA-N 2 0 345.484 2.073 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654532622 471057856 /nfs/dbraw/zinc/05/78/56/471057856.db2.gz YTLULZPRAPODPN-OQIJWPOYSA-N 2 0 344.503 2.146 10 0 EEAERP COCCOCc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072093 471076146 /nfs/dbraw/zinc/07/61/46/471076146.db2.gz KXBKFHPSFYJEAR-UHFFFAOYSA-N 2 0 348.487 2.146 10 0 EEAERP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648104019 471087831 /nfs/dbraw/zinc/08/78/31/471087831.db2.gz IYECTQVNIOQIEE-PKOBYXMFSA-N 2 0 341.499 2.298 10 0 EEAERP CN(C)C(=O)c1cccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657377129 471119865 /nfs/dbraw/zinc/11/98/65/471119865.db2.gz YWCPEKOHTXSKMC-UHFFFAOYSA-N 2 0 349.438 2.301 10 0 EEAERP CN(C)c1ccncc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596968 471179417 /nfs/dbraw/zinc/17/94/17/471179417.db2.gz PTTONCFCOMJBSC-IBGZPJMESA-N 2 0 340.471 2.004 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000652125194 471240368 /nfs/dbraw/zinc/24/03/68/471240368.db2.gz IRUDVVBOOPNSIL-UHFFFAOYSA-N 2 0 344.503 2.122 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000652147403 471244585 /nfs/dbraw/zinc/24/45/85/471244585.db2.gz SDLHZXLROJHZDG-INIZCTEOSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000658109684 471266811 /nfs/dbraw/zinc/26/68/11/471266811.db2.gz USVBSSJFRQKEAP-HOTGVXAUSA-N 2 0 335.492 2.380 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000652288321 471267347 /nfs/dbraw/zinc/26/73/47/471267347.db2.gz CPWPDALORGQSTP-UHFFFAOYSA-N 2 0 330.476 2.176 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000660494204 471365855 /nfs/dbraw/zinc/36/58/55/471365855.db2.gz AUVQETKCTVPKQQ-GOSISDBHSA-N 2 0 344.503 2.102 10 0 EEAERP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000655709353 471451938 /nfs/dbraw/zinc/45/19/38/471451938.db2.gz XNCMDTBEWCIHIH-DLBZAZTESA-N 2 0 349.548 2.253 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2ccccc2n1 ZINC000655713193 471453533 /nfs/dbraw/zinc/45/35/33/471453533.db2.gz YGTNJCGAUADGLE-CVEARBPZSA-N 2 0 327.476 2.153 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659020208 471470878 /nfs/dbraw/zinc/47/08/78/471470878.db2.gz YAULOZNAUIJWIX-KRWDZBQOSA-N 2 0 348.491 2.371 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035709 471478026 /nfs/dbraw/zinc/47/80/26/471478026.db2.gz MRBCGBZEOSQWGC-ZWKOTPCHSA-N 2 0 346.475 2.296 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659045799 471487107 /nfs/dbraw/zinc/48/71/07/471487107.db2.gz YEXPMVWZGSFWBB-ABHNRTSZSA-N 2 0 346.475 2.342 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000653175803 471519323 /nfs/dbraw/zinc/51/93/23/471519323.db2.gz BKTBUHQQQAWJLL-UHFFFAOYSA-N 2 0 331.504 2.402 10 0 EEAERP [NH3+]C[C@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911529 471533584 /nfs/dbraw/zinc/53/35/84/471533584.db2.gz FKPTVGMMBJWODY-KGLIPLIRSA-N 2 0 344.381 2.012 10 0 EEAERP [NH3+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000653220951 471540455 /nfs/dbraw/zinc/54/04/55/471540455.db2.gz AIVNGWUTFDSDKF-MRXNPFEDSA-N 2 0 333.451 2.283 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669555689 471549707 /nfs/dbraw/zinc/54/97/07/471549707.db2.gz AQMBLQNDKCDHHJ-QKLQHJQFSA-N 2 0 348.535 2.425 10 0 EEAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC1CC([NH+]2CCCCC2)C1 ZINC000669575183 471563357 /nfs/dbraw/zinc/56/33/57/471563357.db2.gz RHDBLUAOLQGNOM-UHFFFAOYSA-N 2 0 328.460 2.106 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000659286204 471566750 /nfs/dbraw/zinc/56/67/50/471566750.db2.gz BXQQCOLQZGSDBP-NUJGCVRESA-N 2 0 347.503 2.012 10 0 EEAERP CC(C)Cc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+](C)C)cc1 ZINC000669587057 471569796 /nfs/dbraw/zinc/56/97/96/471569796.db2.gz ZSFIUXFKTJOYKK-DUMMIQTOSA-N 2 0 332.492 2.302 10 0 EEAERP C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000656152740 471609515 /nfs/dbraw/zinc/60/95/15/471609515.db2.gz FATBQLFCJJXUAW-NQVSYGGRSA-N 2 0 348.487 2.398 10 0 EEAERP O=C(NCC1CC[NH+](CC2CC2)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000661110841 471629003 /nfs/dbraw/zinc/62/90/03/471629003.db2.gz YQAMHWQPAHHCGT-UHFFFAOYSA-N 2 0 348.535 2.425 10 0 EEAERP Cc1c(Cl)cncc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000667160546 471675653 /nfs/dbraw/zinc/67/56/53/471675653.db2.gz CEXXDDMFISFTEW-UHFFFAOYSA-N 2 0 327.860 2.048 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659577304 471684062 /nfs/dbraw/zinc/68/40/62/471684062.db2.gz PZHQBUWHBSSHHY-QXAKKESOSA-N 2 0 344.503 2.258 10 0 EEAERP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659611066 471698380 /nfs/dbraw/zinc/69/83/80/471698380.db2.gz IWBFZJIOHLJAKE-SFHVURJKSA-N 2 0 344.503 2.279 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)CC1 ZINC000661520671 471788108 /nfs/dbraw/zinc/78/81/08/471788108.db2.gz JAKDZTSXEJHZLI-HNAYVOBHSA-N 2 0 329.488 2.293 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659942635 471800380 /nfs/dbraw/zinc/80/03/80/471800380.db2.gz MUGRNJLBYHCDRC-VBUUOAMHSA-N 2 0 335.536 2.449 10 0 EEAERP Cc1cscc1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664768442 471856809 /nfs/dbraw/zinc/85/68/09/471856809.db2.gz CHVGSTZCEKGJLG-AWEZNQCLSA-N 2 0 326.510 2.128 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667785737 471903718 /nfs/dbraw/zinc/90/37/18/471903718.db2.gz YTJJYTIWXUZIEQ-UXHICEINSA-N 2 0 329.488 2.091 10 0 EEAERP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000661881319 471912421 /nfs/dbraw/zinc/91/24/21/471912421.db2.gz USJIJXDYAWNSPO-VQIMIIECSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000654384042 471938141 /nfs/dbraw/zinc/93/81/41/471938141.db2.gz QHYWPVMASYWCPO-QRVBRYPASA-N 2 0 344.503 2.290 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282358 471988863 /nfs/dbraw/zinc/98/88/63/471988863.db2.gz WJXJSDJXLCXTQX-MSOLQXFVSA-N 2 0 331.464 2.381 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000665285830 471990054 /nfs/dbraw/zinc/99/00/54/471990054.db2.gz YBDJRCZYZKHIDH-SFHVURJKSA-N 2 0 333.451 2.393 10 0 EEAERP COc1ccccc1-c1cc(C[NH2+][C@H](C)C[C@H]2COCCN2)on1 ZINC000665298886 471994543 /nfs/dbraw/zinc/99/45/43/471994543.db2.gz BUSHIQZVPCTNAI-KGLIPLIRSA-N 2 0 331.416 2.207 10 0 EEAERP C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249909 472041082 /nfs/dbraw/zinc/04/10/82/472041082.db2.gz UWILJTPYWZLMCW-CQSZACIVSA-N 2 0 325.250 2.402 10 0 EEAERP CC(C)[NH+]1CCN(CCCN2c3ccccc3CC[C@@H]2C[NH3+])CC1 ZINC000662304869 472064015 /nfs/dbraw/zinc/06/40/15/472064015.db2.gz NGSLHGBFTDSAOZ-LJQANCHMSA-N 2 0 330.520 2.183 10 0 EEAERP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000662881769 472288951 /nfs/dbraw/zinc/28/89/51/472288951.db2.gz BCUUBFPDAHUFAA-QZTJIDSGSA-N 2 0 325.412 2.294 10 0 EEAERP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COc2ccccc2O1 ZINC000662248681 485595433 /nfs/dbraw/zinc/59/54/33/485595433.db2.gz ANKDRXMIUKSNJM-JKSUJKDBSA-N 2 0 332.444 2.059 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)ccc1F ZINC000246238470 535990099 /nfs/dbraw/zinc/99/00/99/535990099.db2.gz IMSCMPZZOUICHF-OLMNPRSZSA-N 2 0 333.451 2.424 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000760500032 577664241 /nfs/dbraw/zinc/66/42/41/577664241.db2.gz PLKBPULWWHFBKE-ROUUACIJSA-N 2 0 346.544 2.238 10 0 EEAERP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000896897573 685670357 /nfs/dbraw/zinc/67/03/57/685670357.db2.gz APORHLZTIIQAPS-IAAVTCLWSA-N 2 0 327.472 2.421 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000899224853 693670060 /nfs/dbraw/zinc/67/00/60/693670060.db2.gz XTBOJLIKBAZBGF-QFBILLFUSA-N 2 0 342.487 2.251 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485518893 1191823537 /nfs/dbraw/zinc/82/35/37/1191823537.db2.gz XWQCPNLOCUJANE-HNAYVOBHSA-N 2 0 329.488 2.452 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCOC)CC1(C)C ZINC001485570171 1191839445 /nfs/dbraw/zinc/83/94/45/1191839445.db2.gz AUODSLYPNDHCTN-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001485679410 1191894965 /nfs/dbraw/zinc/89/49/65/1191894965.db2.gz PBJCBSKCPDJTPF-NSISKUIASA-N 2 0 343.515 2.370 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1(C(F)(F)F)CC1 ZINC001417635551 1176101248 /nfs/dbraw/zinc/10/12/48/1176101248.db2.gz YHHOOGZQIZQAGB-UHFFFAOYSA-N 2 0 337.430 2.451 10 0 EEAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865866 1176138791 /nfs/dbraw/zinc/13/87/91/1176138791.db2.gz QXOIZWYBYXDIRZ-KBXCAEBGSA-N 2 0 333.451 2.277 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001266328188 1176307461 /nfs/dbraw/zinc/30/74/61/1176307461.db2.gz VZIIZRSXEIKOBB-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001266885320 1177705217 /nfs/dbraw/zinc/70/52/17/1177705217.db2.gz DPTDSQHFYGTPNM-MSOLQXFVSA-N 2 0 348.491 2.224 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CC[NH2+]CCCF ZINC001691309552 1177884697 /nfs/dbraw/zinc/88/46/97/1177884697.db2.gz SUDBXAPKLJAGTL-HOTGVXAUSA-N 2 0 325.472 2.049 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001267069125 1178185488 /nfs/dbraw/zinc/18/54/88/1178185488.db2.gz PDONKRNPISZHCQ-QGZVFWFLSA-N 2 0 335.517 2.215 10 0 EEAERP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCOc1ccccc1 ZINC001267133395 1178304845 /nfs/dbraw/zinc/30/48/45/1178304845.db2.gz FTGZSQIZKSFTFV-QGZVFWFLSA-N 2 0 345.487 2.178 10 0 EEAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1conc1C)[NH+](C)C ZINC001267169760 1178390056 /nfs/dbraw/zinc/39/00/56/1178390056.db2.gz WQEKTEXSCZWVQF-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CCCC[NH+](C)C)C2 ZINC001692269844 1178725021 /nfs/dbraw/zinc/72/50/21/1178725021.db2.gz ZOCRBWXWTALGBB-UHFFFAOYSA-N 2 0 338.521 2.259 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC001691446030 1178830265 /nfs/dbraw/zinc/83/02/65/1178830265.db2.gz OYJSDAAGFWJHSZ-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001267429195 1178995788 /nfs/dbraw/zinc/99/57/88/1178995788.db2.gz SEKSIGCPWCPDGU-IEBWSBKVSA-N 2 0 343.515 2.496 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCc1c(F)cccc1F ZINC001481055381 1179640319 /nfs/dbraw/zinc/64/03/19/1179640319.db2.gz DWFVOLHXISXESD-AWEZNQCLSA-N 2 0 339.430 2.040 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481108434 1179757034 /nfs/dbraw/zinc/75/70/34/1179757034.db2.gz AUBJTXHLTFSGMQ-MRXNPFEDSA-N 2 0 328.460 2.058 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267778691 1180513224 /nfs/dbraw/zinc/51/32/24/1180513224.db2.gz FVKJYJFCUSCISK-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001267920655 1180767028 /nfs/dbraw/zinc/76/70/28/1180767028.db2.gz BHNMVFSAGSWJNF-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP COc1ccc(C[N@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C(C)C)cc1 ZINC001481358261 1181116356 /nfs/dbraw/zinc/11/63/56/1181116356.db2.gz OSBCTJVJBGMSJW-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCN(Cc1ncccn1)C(C)C ZINC001481358703 1181118334 /nfs/dbraw/zinc/11/83/34/1181118334.db2.gz XIGFHAMXXVTQFP-KRWDZBQOSA-N 2 0 347.507 2.068 10 0 EEAERP CC(C)c1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001481447998 1181374531 /nfs/dbraw/zinc/37/45/31/1181374531.db2.gz VIKCIJFMUWYNJQ-QGZVFWFLSA-N 2 0 346.519 2.485 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001268041397 1181450438 /nfs/dbraw/zinc/45/04/38/1181450438.db2.gz VRDWAUAOXCDMEK-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268081214 1181693653 /nfs/dbraw/zinc/69/36/53/1181693653.db2.gz NCHZICOYVJCLEP-BZSNNMDCSA-N 2 0 347.503 2.232 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCc1cccs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268115905 1181761810 /nfs/dbraw/zinc/76/18/10/1181761810.db2.gz CMLNTQHHYGWLMG-CVEARBPZSA-N 2 0 337.533 2.363 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)OC ZINC001268162178 1181874781 /nfs/dbraw/zinc/87/47/81/1181874781.db2.gz IKYMAWJLJYUJCY-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001481705257 1182255847 /nfs/dbraw/zinc/25/58/47/1182255847.db2.gz NPYMQJLGNZZKMS-SJLPKXTDSA-N 2 0 333.451 2.345 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2c(o1)CCCC2)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379931 1182405526 /nfs/dbraw/zinc/40/55/26/1182405526.db2.gz WJOBRQZJSANHEU-HOCLYGCPSA-N 2 0 348.491 2.022 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cs1 ZINC001268413439 1182562934 /nfs/dbraw/zinc/56/29/34/1182562934.db2.gz FSCUHQCZTFDIBG-UONOGXRCSA-N 2 0 338.521 2.032 10 0 EEAERP CCN(CC[NH2+]CCCc1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268471921 1182847892 /nfs/dbraw/zinc/84/78/92/1182847892.db2.gz VTEFUZBREKOMDX-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268488551 1182971984 /nfs/dbraw/zinc/97/19/84/1182971984.db2.gz SVUZNKGYAHPLRS-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001481929844 1182974397 /nfs/dbraw/zinc/97/43/97/1182974397.db2.gz CYYZZRYXIQRGOG-XFQXTVEOSA-N 2 0 344.503 2.105 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001481953342 1183029949 /nfs/dbraw/zinc/02/99/49/1183029949.db2.gz XSAQDIZRVBSECP-HNAYVOBHSA-N 2 0 333.451 2.152 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)[NH+](C)C ZINC001482006753 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333.451 2.415 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268657298 1183586596 /nfs/dbraw/zinc/58/65/96/1183586596.db2.gz PTKKGMKMCIOJIR-OAHLLOKOSA-N 2 0 335.467 2.337 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191291 1183606021 /nfs/dbraw/zinc/60/60/21/1183606021.db2.gz BWOVZIMFGCKTKW-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2nocc2C)C1 ZINC001268818443 1183737023 /nfs/dbraw/zinc/73/70/23/1183737023.db2.gz WWZUCBFUBQXJAV-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001268957524 1183850482 /nfs/dbraw/zinc/85/04/82/1183850482.db2.gz DSPLGWSNHZAPNS-HUUCEWRRSA-N 2 0 348.491 2.363 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269071816 1183939626 /nfs/dbraw/zinc/93/96/26/1183939626.db2.gz RLBFPTJGTMGRKF-KBPBESRZSA-N 2 0 335.414 2.296 10 0 EEAERP 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CRAYAQNAKDNCIT-VQIMIIECSA-N 2 0 347.503 2.077 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2cnccc2C)C1 ZINC001409620489 1190111176 /nfs/dbraw/zinc/11/11/76/1190111176.db2.gz WVYZWTVEGJFDOY-ROUUACIJSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001409762889 1190252833 /nfs/dbraw/zinc/25/28/33/1190252833.db2.gz OECUDZIRVBYWOK-QZTJIDSGSA-N 2 0 346.519 2.304 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)o1 ZINC001409771553 1190265923 /nfs/dbraw/zinc/26/59/23/1190265923.db2.gz MVEPMCUNKAJHKA-IRXDYDNUSA-N 2 0 336.480 2.040 10 0 EEAERP COCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001483259987 1190285430 /nfs/dbraw/zinc/28/54/30/1190285430.db2.gz WMLQZXDDZQRTQT-BXWFABGCSA-N 2 0 347.503 2.158 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC001483272110 1190296609 /nfs/dbraw/zinc/29/66/09/1190296609.db2.gz KGNOKVKTLAYNBJ-KSSFIOAISA-N 2 0 348.491 2.409 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCOCC2)[C@@H]1C ZINC001486092879 1193679144 /nfs/dbraw/zinc/67/91/44/1193679144.db2.gz IKBMJBBRDZULFX-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483488061 1190507818 /nfs/dbraw/zinc/50/78/18/1190507818.db2.gz WDAMRNNVYUXNSU-IRXDYDNUSA-N 2 0 332.492 2.058 10 0 EEAERP CN(CCC[NH2+]Cc1coc(C2CC2)n1)C(=O)CC1CC[NH+](C)CC1 ZINC001483495950 1190512607 /nfs/dbraw/zinc/51/26/07/1190512607.db2.gz PASRAYGNHWIUKC-UHFFFAOYSA-N 2 0 348.491 2.222 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001483511967 1190525296 /nfs/dbraw/zinc/52/52/96/1190525296.db2.gz LNXXXYWWZLNQJX-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC001483512106 1190525738 /nfs/dbraw/zinc/52/57/38/1190525738.db2.gz OZUGQCUSKZPYNU-IAGOWNOFSA-N 2 0 349.523 2.275 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001483562247 1190551344 /nfs/dbraw/zinc/55/13/44/1190551344.db2.gz ZPNJQYAPKAYHKG-ZWKOTPCHSA-N 2 0 348.491 2.094 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483587248 1190573865 /nfs/dbraw/zinc/57/38/65/1190573865.db2.gz BMVYDSXCTKGFFE-KUHUBIRLSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483606591 1190585555 /nfs/dbraw/zinc/58/55/55/1190585555.db2.gz YWKHRDZJCHUFOD-WMZOPIPTSA-N 2 0 333.451 2.070 10 0 EEAERP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1[NH2+]CCOC ZINC001483616327 1190592264 /nfs/dbraw/zinc/59/22/64/1190592264.db2.gz RUAPHJMFCMMUCD-CRAIPNDOSA-N 2 0 344.459 2.119 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001486123207 1193688222 /nfs/dbraw/zinc/68/82/22/1193688222.db2.gz ZKAXWAOOFKZRIH-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CO[C@@H](C)C[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001409790821 1190622026 /nfs/dbraw/zinc/62/20/26/1190622026.db2.gz BTVMOKKWUJSQKE-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP CO[C@H](C)C[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001409790849 1190622108 /nfs/dbraw/zinc/62/21/08/1190622108.db2.gz BTVMOKKWUJSQKE-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486129658 1193689469 /nfs/dbraw/zinc/68/94/69/1193689469.db2.gz NUBOCRNRHULAGG-DOTOQJQBSA-N 2 0 347.528 2.356 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)c1cccc(OC)c1 ZINC001483690499 1190762219 /nfs/dbraw/zinc/76/22/19/1190762219.db2.gz YLHCJBHMIMVUCJ-NVXWUHKLSA-N 2 0 333.476 2.289 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001272458094 1190830877 /nfs/dbraw/zinc/83/08/77/1190830877.db2.gz UXHABPAPKYIMFS-FMQFUMSTSA-N 2 0 327.900 2.442 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cnccc2C)C1 ZINC001272624948 1190937130 /nfs/dbraw/zinc/93/71/30/1190937130.db2.gz QWVWVKGOQWDQGK-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001272641510 1190948709 /nfs/dbraw/zinc/94/87/09/1190948709.db2.gz JBYXEWCPNXLJFK-QGZVFWFLSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1csc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001483914356 1191114619 /nfs/dbraw/zinc/11/46/19/1191114619.db2.gz NNOBMEHGSVIJMZ-CABCVRRESA-N 2 0 338.521 2.261 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001483933426 1191122906 /nfs/dbraw/zinc/12/29/06/1191122906.db2.gz AGQWTWLJABTPGY-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484174676 1191260339 /nfs/dbraw/zinc/26/03/39/1191260339.db2.gz JPGZXUVBNUSBFO-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)sn1 ZINC001484347516 1191313215 /nfs/dbraw/zinc/31/32/15/1191313215.db2.gz ORLMJIXPVNMASO-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ncccc2C)C1 ZINC001484380343 1191323614 /nfs/dbraw/zinc/32/36/14/1191323614.db2.gz IAIIEYGLCWAYPW-ROUUACIJSA-N 2 0 346.519 2.306 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001409916867 1191331646 /nfs/dbraw/zinc/33/16/46/1191331646.db2.gz MHKUUTCWFSRCSE-OAHLLOKOSA-N 2 0 333.520 2.345 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001484561309 1191416634 /nfs/dbraw/zinc/41/66/34/1191416634.db2.gz YANHZNSCFPGDFO-QFBILLFUSA-N 2 0 347.503 2.473 10 0 EEAERP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCCOC(C)C)CC2)[NH+](C)C ZINC001484581501 1191426051 /nfs/dbraw/zinc/42/60/51/1191426051.db2.gz KYVUMTUJPRQYTA-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP CCC1([NH2+]C/C=C\Cl)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819146 1191539166 /nfs/dbraw/zinc/53/91/66/1191539166.db2.gz IACODPUSPRBPOA-UFRMUOTOSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001484897509 1191567908 /nfs/dbraw/zinc/56/79/08/1191567908.db2.gz MXYYBDGFGNVBPQ-WBMJQRKESA-N 2 0 341.858 2.367 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cnc(C)o2)[C@H](C)C1 ZINC001484985775 1191602784 /nfs/dbraw/zinc/60/27/84/1191602784.db2.gz KOWMJRJCWNUCFD-ZBFHGGJFSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001485208255 1191693549 /nfs/dbraw/zinc/69/35/49/1191693549.db2.gz FQERXMRXSPUXTR-GJZGRUSLSA-N 2 0 327.513 2.016 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)n1 ZINC001485230401 1191699287 /nfs/dbraw/zinc/69/92/87/1191699287.db2.gz TVKSELPJBJDZDF-LSDHHAIUSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001485441812 1191786245 /nfs/dbraw/zinc/78/62/45/1191786245.db2.gz VKNHAQIXPPVKIY-KBPBESRZSA-N 2 0 337.430 2.353 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001485456287 1191792070 /nfs/dbraw/zinc/79/20/70/1191792070.db2.gz OOROXBFDZFXGSW-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2C/C=C\Cl)C1 ZINC001485483563 1191800303 /nfs/dbraw/zinc/80/03/03/1191800303.db2.gz WZEABBVOHZMONS-RQTGCPSESA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1ccccn1)CC2 ZINC001486153094 1193702730 /nfs/dbraw/zinc/70/27/30/1193702730.db2.gz BIXNIBLIRJAPHM-HKUYNNGSSA-N 2 0 330.476 2.035 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC[C@@H]1CCCO1)CC2 ZINC001486159517 1193705874 /nfs/dbraw/zinc/70/58/74/1193705874.db2.gz IRFNQFMATRAXSC-SCTDSRPQSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1cnoc1C)CC2 ZINC001486160210 1193706376 /nfs/dbraw/zinc/70/63/76/1193706376.db2.gz MQVWRSVYCMDHDH-HKUYNNGSSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1Cc1cccc(F)c1F ZINC001486180509 1193717589 /nfs/dbraw/zinc/71/75/89/1193717589.db2.gz NGTLBOFNPRDALR-CZUORRHYSA-N 2 0 339.430 2.386 10 0 EEAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1Cc1cccc(F)c1F ZINC001486180507 1193717682 /nfs/dbraw/zinc/71/76/82/1193717682.db2.gz NGTLBOFNPRDALR-BBRMVZONSA-N 2 0 339.430 2.386 10 0 EEAERP CCOCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001486244071 1193770165 /nfs/dbraw/zinc/77/01/65/1193770165.db2.gz VYPIDSMAYKVIMH-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP COCCCC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001486446557 1193961480 /nfs/dbraw/zinc/96/14/80/1193961480.db2.gz PRCIKZLFNZAJGE-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001486448162 1193962941 /nfs/dbraw/zinc/96/29/41/1193962941.db2.gz CVZRIVBSFQUKAB-HNNXBMFYSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001486451390 1193966135 /nfs/dbraw/zinc/96/61/35/1193966135.db2.gz NLFKTQPSGDEGAC-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001691671575 1195434828 /nfs/dbraw/zinc/43/48/28/1195434828.db2.gz JVHVFKGHXNUSRV-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@]12CN(C(=O)CC3([NH3+])CCC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702089153 1195741919 /nfs/dbraw/zinc/74/19/19/1195741919.db2.gz LNWJUMFSWZJCJU-PKOBYXMFSA-N 2 0 327.472 2.238 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)CC1(C)C ZINC001410011771 1197102876 /nfs/dbraw/zinc/10/28/76/1197102876.db2.gz AYKFOIDYZYXLII-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C1 ZINC001410198054 1197599189 /nfs/dbraw/zinc/59/91/89/1197599189.db2.gz XMHQXJVHRNNKNK-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2F)C1)[NH+](C)C ZINC001410208211 1197608472 /nfs/dbraw/zinc/60/84/72/1197608472.db2.gz FGSGKZBMXHORND-SRCQZFHVSA-N 2 0 339.430 2.289 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)C1)[NH+](C)C ZINC001410233489 1197622400 /nfs/dbraw/zinc/62/24/00/1197622400.db2.gz XBYFJZNJBYLPLK-BZSNNMDCSA-N 2 0 335.467 2.481 10 0 EEAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCOCC1 ZINC001410393847 1197795044 /nfs/dbraw/zinc/79/50/44/1197795044.db2.gz ZOVDENJYFWIFRE-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001410395203 1197796835 /nfs/dbraw/zinc/79/68/35/1197796835.db2.gz XPXTXNFXVONJHZ-KDOFPFPSSA-N 2 0 348.491 2.327 10 0 EEAERP CC(C)[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257559 1198115725 /nfs/dbraw/zinc/11/57/25/1198115725.db2.gz SYGJRXAATYEMOK-MANSERQUSA-N 2 0 343.471 2.293 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865531571 1198261708 /nfs/dbraw/zinc/26/17/08/1198261708.db2.gz PPXREWKPLDMKDW-HNNXBMFYSA-N 2 0 330.451 2.490 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC001410849907 1198500325 /nfs/dbraw/zinc/50/03/25/1198500325.db2.gz LNSRZOFYTRYXMY-DOTOQJQBSA-N 2 0 349.523 2.057 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2c(F)cccc2F)C1)[NH+](C)C ZINC001411269142 1199010028 /nfs/dbraw/zinc/01/00/28/1199010028.db2.gz BKNYKRXYPQUELU-QWQCLYJRSA-N 2 0 339.430 2.384 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(C3CC3)c2)C[C@H]1C[NH+](C)C ZINC000870017697 1200409419 /nfs/dbraw/zinc/40/94/19/1200409419.db2.gz QATZQWVAOONDBR-WOJBJXKFSA-N 2 0 343.515 2.304 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000870019005 1200410746 /nfs/dbraw/zinc/41/07/46/1200410746.db2.gz MFVGSJJTSMPGBX-RRFJBIMHSA-N 2 0 331.451 2.010 10 0 EEAERP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000870020520 1200412214 /nfs/dbraw/zinc/41/22/14/1200412214.db2.gz CUVRSKRHAJULNU-USXIJHARSA-N 2 0 335.467 2.127 10 0 EEAERP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870936935 1200967134 /nfs/dbraw/zinc/96/71/34/1200967134.db2.gz GXDZFDMCSUDLDO-LBPRGKRZSA-N 2 0 328.254 2.083 10 0 EEAERP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708151 1201586176 /nfs/dbraw/zinc/58/61/76/1201586176.db2.gz DBDDKNHRFHTWNJ-QRVBRYPASA-N 2 0 343.471 2.252 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000882393106 1201864880 /nfs/dbraw/zinc/86/48/80/1201864880.db2.gz WLTBOKIORHCXMX-MOPGFXCFSA-N 2 0 342.487 2.394 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000868750938 1201871539 /nfs/dbraw/zinc/87/15/39/1201871539.db2.gz DEIAUPMJLRDGGW-NXHRZFHOSA-N 2 0 336.524 2.423 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CC[C@@H](C4CC4)O3)CC2)CC1 ZINC000886252261 1202484726 /nfs/dbraw/zinc/48/47/26/1202484726.db2.gz YPBOHOQKLUMFSM-UXHICEINSA-N 2 0 335.536 2.436 10 0 EEAERP COCCN1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886525147 1202518446 /nfs/dbraw/zinc/51/84/46/1202518446.db2.gz YJWYSIZMJQQCNO-BURNTYAHSA-N 2 0 343.515 2.350 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000887934824 1204511847 /nfs/dbraw/zinc/51/18/47/1204511847.db2.gz WMLQVUBOZRCZDA-ZVDOUQERSA-N 2 0 341.499 2.309 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001274255130 1204976731 /nfs/dbraw/zinc/97/67/31/1204976731.db2.gz YMOAEYWXEKNYTF-PLNGDYQASA-N 2 0 336.505 2.088 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429800 1205033212 /nfs/dbraw/zinc/03/32/12/1205033212.db2.gz GWIRTEGMTIQYMA-RWAOMAIQSA-N 2 0 341.446 2.311 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429885 1205033540 /nfs/dbraw/zinc/03/35/40/1205033540.db2.gz HRUPBMQQPURLRP-ZBPSDOBBSA-N 2 0 346.475 2.070 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001274445919 1205039282 /nfs/dbraw/zinc/03/92/82/1205039282.db2.gz LMBKSPTZJSRJQK-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001275149876 1205268090 /nfs/dbraw/zinc/26/80/90/1205268090.db2.gz PGEBAXISAHNYMR-ZFWWWQNUSA-N 2 0 338.883 2.202 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(C2CC2)o1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276169209 1205811568 /nfs/dbraw/zinc/81/15/68/1205811568.db2.gz YJHSAQVJAQUMCH-UHFFFAOYSA-N 2 0 348.491 2.365 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001276190936 1205825580 /nfs/dbraw/zinc/82/55/80/1205825580.db2.gz ZHIXTZJTXAYNIL-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000925392654 1206106134 /nfs/dbraw/zinc/10/61/34/1206106134.db2.gz LZMJBKVNVAWTDD-UFRUDQCGSA-N 2 0 327.472 2.239 10 0 EEAERP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cncn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530304 1206123961 /nfs/dbraw/zinc/12/39/61/1206123961.db2.gz CXUOMXOLHGBFHF-FGTMMUONSA-N 2 0 325.460 2.193 10 0 EEAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1OCCO ZINC000925613529 1206135929 /nfs/dbraw/zinc/13/59/29/1206135929.db2.gz RYGMXFCCABBJDS-MSOLQXFVSA-N 2 0 348.487 2.324 10 0 EEAERP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808658 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VZYYNMNNAYJZQJ-SFHVURJKSA-N 2 0 330.476 2.037 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(=O)OC ZINC000852091526 1291989004 /nfs/dbraw/zinc/98/90/04/1291989004.db2.gz JOCMAKCJLGCSLC-RBUKOAKNSA-N 2 0 340.508 2.279 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760371 1292189680 /nfs/dbraw/zinc/18/96/80/1292189680.db2.gz DPBTXKOIYIUVSH-DLBZAZTESA-N 2 0 326.868 2.416 10 0 EEAERP C[NH+]1CCC(Nc2ccccc2NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852864499 1292219604 /nfs/dbraw/zinc/21/96/04/1292219604.db2.gz XUNFRMRUKGVPPE-UHFFFAOYSA-N 2 0 328.460 2.441 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3(O)CCC3)C2)ccn1 ZINC000856584344 1293572504 /nfs/dbraw/zinc/57/25/04/1293572504.db2.gz IDSNEGFRQTVOOU-SFHVURJKSA-N 2 0 333.476 2.292 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858147175 1294022704 /nfs/dbraw/zinc/02/27/04/1294022704.db2.gz YHWCJACYRVHGAQ-UHFFFAOYSA-N 2 0 329.286 2.394 10 0 EEAERP CC(C)n1ncc2cc(C[NH2+]CCOCCC[NH3+])c(Cl)nc21 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339.524 2.114 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001264395188 1322689242 /nfs/dbraw/zinc/68/92/42/1322689242.db2.gz MXXMMIBCZPUZNL-CALCHBBNSA-N 2 0 339.499 2.487 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CCF ZINC001264520837 1322724362 /nfs/dbraw/zinc/72/43/62/1322724362.db2.gz QGKIWJCEQOENCZ-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001264675402 1322777820 /nfs/dbraw/zinc/77/78/20/1322777820.db2.gz DBZXVEHUKIZXQW-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](C(=O)NCCC[N@H+](C)C[C@H]1CCCOC1)[NH+]1CCCCCC1 ZINC001265043739 1322885501 /nfs/dbraw/zinc/88/55/01/1322885501.db2.gz XVEQWOLBFTWXHL-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC[NH+](CCOCC2CCC2)CC1)[NH+](C)C ZINC001265200137 1322980693 /nfs/dbraw/zinc/98/06/93/1322980693.db2.gz KGCOCUKPXMLFMC-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1)C1CCC1 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YCNKHLFWNAIHOP-HOTGVXAUSA-N 2 0 336.480 2.184 10 0 EEAERP CN(C(=O)C(C)(C)c1cnc[nH]1)C1CC([NH2+]CCOCC2CCC2)C1 ZINC001279308325 1323870221 /nfs/dbraw/zinc/87/02/21/1323870221.db2.gz UROJNQHREQLIIQ-UHFFFAOYSA-N 2 0 348.491 2.083 10 0 EEAERP CC(C)(C(=O)NCC1=CC[N@H+](C[C@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC001279607315 1323957857 /nfs/dbraw/zinc/95/78/57/1323957857.db2.gz MSIPNYBLCMNHAS-GOSISDBHSA-N 2 0 349.519 2.036 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](CCCC2CCOCC2)CC1 ZINC001279687316 1323979524 /nfs/dbraw/zinc/97/95/24/1323979524.db2.gz IYHNUFYSLXJPON-UHFFFAOYSA-N 2 0 349.519 2.037 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccccn3)C2)CC1 ZINC001280218076 1324118593 /nfs/dbraw/zinc/11/85/93/1324118593.db2.gz ANKNXMUHTRTQNC-GOSISDBHSA-N 2 0 344.503 2.142 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)C1 ZINC001280458215 1324237043 /nfs/dbraw/zinc/23/70/43/1324237043.db2.gz UOLIWEWPSQAODD-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP 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FPCVKZOKKHNHBR-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@H](F)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001491899651 1330295564 /nfs/dbraw/zinc/29/55/64/1330295564.db2.gz KXAVQJYKUUMRSH-ZWKOTPCHSA-N 2 0 335.467 2.277 10 0 EEAERP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001491925904 1330316013 /nfs/dbraw/zinc/31/60/13/1330316013.db2.gz UTTKIHCVWRJIQJ-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001491943957 1330335180 /nfs/dbraw/zinc/33/51/80/1330335180.db2.gz PUXAATRNYKSEHE-SJORKVTESA-N 2 0 339.524 2.209 10 0 EEAERP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381903 1331410260 /nfs/dbraw/zinc/41/02/60/1331410260.db2.gz PHNSDOQOAXIYME-INIZCTEOSA-N 2 0 325.472 2.145 10 0 EEAERP Cc1cncc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001316868993 1331798142 /nfs/dbraw/zinc/79/81/42/1331798142.db2.gz DJAOOOITYCYHDQ-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316769964 1331883307 /nfs/dbraw/zinc/88/33/07/1331883307.db2.gz CMQBENQXYFGAMQ-QZTJIDSGSA-N 2 0 341.540 2.358 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001316814917 1331909948 /nfs/dbraw/zinc/90/99/48/1331909948.db2.gz BZSBLLVYMXWWSE-IBGZPJMESA-N 2 0 347.503 2.215 10 0 EEAERP CN(CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1nccs1 ZINC001316835322 1331922750 /nfs/dbraw/zinc/92/27/50/1331922750.db2.gz NHHKVRYXJISTKQ-CABCVRRESA-N 2 0 336.505 2.098 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001316933026 1331999429 /nfs/dbraw/zinc/99/94/29/1331999429.db2.gz DVEGNJYXXWVAOO-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001317323485 1332179041 /nfs/dbraw/zinc/17/90/41/1332179041.db2.gz WGNUYYMLWKNMSH-ICSRJNTNSA-N 2 0 341.499 2.009 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001317340607 1332186099 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327.488 2.437 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001319385289 1332692977 /nfs/dbraw/zinc/69/29/77/1332692977.db2.gz KXBJNNCHYQFGSD-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001319437597 1332701401 /nfs/dbraw/zinc/70/14/01/1332701401.db2.gz WEEIUGUKFAFJIO-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319460882 1332705838 /nfs/dbraw/zinc/70/58/38/1332705838.db2.gz RMHZWVYFRBRPPQ-PXNSSMCTSA-N 2 0 343.515 2.398 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnoc1C ZINC001319789778 1332768322 /nfs/dbraw/zinc/76/83/22/1332768322.db2.gz BONCCOYZUUZNAA-MRXNPFEDSA-N 2 0 345.447 2.118 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320417393 1332878615 /nfs/dbraw/zinc/87/86/15/1332878615.db2.gz ZQNSSWPAWKMNIR-KXBFYZLASA-N 2 0 347.478 2.482 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001320419616 1332878967 /nfs/dbraw/zinc/87/89/67/1332878967.db2.gz AYXPMEUZBHIOAB-YQVWRLOYSA-N 2 0 331.504 2.362 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320419660 1332879207 /nfs/dbraw/zinc/87/92/07/1332879207.db2.gz BWIJNHYXLQTHLA-NJZAAPMLSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)s1 ZINC001320445800 1332885472 /nfs/dbraw/zinc/88/54/72/1332885472.db2.gz KKSRWYUWARZKPD-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2conc2C)C1 ZINC001320531066 1332904711 /nfs/dbraw/zinc/90/47/11/1332904711.db2.gz XMADWAHCUUPWMK-HOCLYGCPSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001320645997 1332928674 /nfs/dbraw/zinc/92/86/74/1332928674.db2.gz VHTXBHDFWBQPNH-PKOBYXMFSA-N 2 0 346.519 2.495 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C[NH+]1CCCC1 ZINC001320922187 1332979940 /nfs/dbraw/zinc/97/99/40/1332979940.db2.gz QWFMYFBTCFQGLB-UHFFFAOYSA-N 2 0 333.476 2.038 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1Cl ZINC001320998555 1332994492 /nfs/dbraw/zinc/99/44/92/1332994492.db2.gz OTBAEKXGIVAZQP-FAAWYNLUSA-N 2 0 339.842 2.335 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC2(CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001321065584 1333009188 /nfs/dbraw/zinc/00/91/88/1333009188.db2.gz UWZXCAKAUQUNMT-LPQSXRFUSA-N 2 0 331.504 2.171 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001321066616 1333010214 /nfs/dbraw/zinc/01/02/14/1333010214.db2.gz MEUAFDQPOWPAHD-GOVFWEMJSA-N 2 0 345.487 2.106 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001321282175 1333063219 /nfs/dbraw/zinc/06/32/19/1333063219.db2.gz VQTWCAHKFJHAAF-SFFCAUCYSA-N 2 0 344.503 2.415 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccns1 ZINC001321282188 1333063827 /nfs/dbraw/zinc/06/38/27/1333063827.db2.gz VXOUJNVGRDJTRU-YIEVGGLXSA-N 2 0 336.505 2.168 10 0 EEAERP O[C@@H]1C[NH+](CCCCCCCC[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC001321477407 1333111136 /nfs/dbraw/zinc/11/11/36/1333111136.db2.gz KZBATYXKEJYYFJ-QZTJIDSGSA-N 2 0 336.520 2.240 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001323000863 1333366809 /nfs/dbraw/zinc/36/68/09/1333366809.db2.gz RPYMCMXDLCWBBV-AHRSYUTCSA-N 2 0 343.515 2.444 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001323812790 1333544317 /nfs/dbraw/zinc/54/43/17/1333544317.db2.gz LLXYLYILXIYSOX-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324671363 1333736116 /nfs/dbraw/zinc/73/61/16/1333736116.db2.gz CRLHBCFXGKYJJG-FQEVSTJZSA-N 2 0 347.503 2.369 10 0 EEAERP Cn1cc(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2)cn1 ZINC001326863989 1334172844 /nfs/dbraw/zinc/17/28/44/1334172844.db2.gz OXNFVLXPOHZJMB-UHFFFAOYSA-N 2 0 328.460 2.289 10 0 EEAERP CCCCOCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001327492988 1334301602 /nfs/dbraw/zinc/30/16/02/1334301602.db2.gz OVNMXZZKMXTRFL-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001327860051 1334356367 /nfs/dbraw/zinc/35/63/67/1334356367.db2.gz GNAIPGOKQYXNFF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001328860779 1334535876 /nfs/dbraw/zinc/53/58/76/1334535876.db2.gz GDCOJSCJDMMSNB-UHFFFAOYSA-N 2 0 327.469 2.267 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001330160409 1334790166 /nfs/dbraw/zinc/79/01/66/1334790166.db2.gz KCFYKMGBEJUHFS-IBGZPJMESA-N 2 0 349.519 2.108 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001331455217 1335016546 /nfs/dbraw/zinc/01/65/46/1335016546.db2.gz FYYUKGURGWGWKT-QZTJIDSGSA-N 2 0 346.450 2.180 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2F)CC1 ZINC001332115743 1335733597 /nfs/dbraw/zinc/73/35/97/1335733597.db2.gz FHMGPFNFVBPWRH-NVXWUHKLSA-N 2 0 348.466 2.424 10 0 EEAERP CCOCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332826839 1335914463 /nfs/dbraw/zinc/91/44/63/1335914463.db2.gz QXWDVXDXBUWHBJ-HOTGVXAUSA-N 2 0 327.513 2.018 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC[C@@H]1CCCCO1 ZINC001479816677 1337399556 /nfs/dbraw/zinc/39/95/56/1337399556.db2.gz WVZLBZNPHXKVJW-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001668214456 1355901051 /nfs/dbraw/zinc/90/10/51/1355901051.db2.gz LWHHHKTWQIBDOL-CQSZACIVSA-N 2 0 338.471 2.183 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)c(C)c1 ZINC001497975265 1342104061 /nfs/dbraw/zinc/10/40/61/1342104061.db2.gz IEVKVZUGCGCKSY-XLIONFOSSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176056 1342705044 /nfs/dbraw/zinc/70/50/44/1342705044.db2.gz HKHMGSAUBHEBEE-JKSUJKDBSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567176434 1342705080 /nfs/dbraw/zinc/70/50/80/1342705080.db2.gz LTTHQBOWIJUGHQ-IAGOWNOFSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001567176276 1342705207 /nfs/dbraw/zinc/70/52/07/1342705207.db2.gz JWSUEJMZUMJONA-ZWKOTPCHSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001567261510 1342726519 /nfs/dbraw/zinc/72/65/19/1342726519.db2.gz LBRDHNLFOGNFLZ-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CC[C@@H]2CC2(Cl)Cl)C2CC2)C1 ZINC001567454599 1342763834 /nfs/dbraw/zinc/76/38/34/1342763834.db2.gz ZYVFCXGCTLBCTP-QWHCGFSZSA-N 2 0 348.318 2.103 10 0 EEAERP CCN(CC[NH2+]Cc1ccncc1Cl)C(=O)C1CC[NH+](C)CC1 ZINC001568772396 1342852510 /nfs/dbraw/zinc/85/25/10/1342852510.db2.gz SYXPVSIIJYGPGP-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001569522554 1342892386 /nfs/dbraw/zinc/89/23/86/1342892386.db2.gz NEXUGXIGFMOIMB-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001569578323 1342900645 /nfs/dbraw/zinc/90/06/45/1342900645.db2.gz JFQHPTLKLNHFAT-CALCHBBNSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569915976 1342976388 /nfs/dbraw/zinc/97/63/88/1342976388.db2.gz WERFVBKICUKSPP-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CC(F)(F)C3)C2)CC[N@@H+]1C ZINC001569981120 1342987369 /nfs/dbraw/zinc/98/73/69/1342987369.db2.gz OVEDJUQPBQRGOT-IIAWOOMASA-N 2 0 343.462 2.200 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001570183387 1343028157 /nfs/dbraw/zinc/02/81/57/1343028157.db2.gz JLEXNYAAPOXNKV-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)Cc1ccccc1 ZINC001676086624 1357103476 /nfs/dbraw/zinc/10/34/76/1357103476.db2.gz VXABCHVTWRSYLU-IBGZPJMESA-N 2 0 329.488 2.499 10 0 EEAERP CCOCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571644484 1343259920 /nfs/dbraw/zinc/25/99/20/1343259920.db2.gz SKPUFWDIKAQQKN-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001676249915 1357126856 /nfs/dbraw/zinc/12/68/56/1357126856.db2.gz QKULVWQSXIBKAC-OCCSQVGLSA-N 2 0 348.318 2.474 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCCCCC1 ZINC001676400815 1357146147 /nfs/dbraw/zinc/14/61/47/1357146147.db2.gz GWCFCUJMKNNWID-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccn(C2CCCC2)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649454519 1353514344 /nfs/dbraw/zinc/51/43/44/1353514344.db2.gz OPIPGUKIOYYXRX-CRAIPNDOSA-N 2 0 347.507 2.077 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251032 1353941595 /nfs/dbraw/zinc/94/15/95/1353941595.db2.gz IDHJJGOXWNCHBX-LSDHHAIUSA-N 2 0 338.521 2.344 10 0 EEAERP Brc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC001655304671 1354169923 /nfs/dbraw/zinc/16/99/23/1354169923.db2.gz KNGYZBIKQZLVIR-UHFFFAOYSA-N 2 0 328.254 2.046 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001656899432 1354296382 /nfs/dbraw/zinc/29/63/82/1354296382.db2.gz ORCAYHQSPMRNSY-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001657106154 1354328450 /nfs/dbraw/zinc/32/84/50/1354328450.db2.gz MQBRRYXJRZGQMR-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)s1 ZINC001660369168 1354451317 /nfs/dbraw/zinc/45/13/17/1354451317.db2.gz QMUFGNDSWRAUJW-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP COCCCCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001660794611 1354539977 /nfs/dbraw/zinc/53/99/77/1354539977.db2.gz RXMRWJFUGNDBCY-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001661034187 1354576651 /nfs/dbraw/zinc/57/66/51/1354576651.db2.gz BAUDDAWOMFUDCO-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001661426994 1354637667 /nfs/dbraw/zinc/63/76/67/1354637667.db2.gz PHLOUBOYXWVVSG-UTRMSSBJSA-N 2 0 347.478 2.335 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCCOC)C2)C1 ZINC001662856255 1354865830 /nfs/dbraw/zinc/86/58/30/1354865830.db2.gz LXYHPGRKHBLDJH-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCF ZINC001663085456 1354910192 /nfs/dbraw/zinc/91/01/92/1354910192.db2.gz HFEURMKBQGYHRL-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@H+](CC(=O)NCC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1)C1CCC1 ZINC001665294846 1355289830 /nfs/dbraw/zinc/28/98/30/1355289830.db2.gz ONNAGKDROTWYHB-ZDUSSCGKSA-N 2 0 348.318 2.103 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001665787491 1355387861 /nfs/dbraw/zinc/38/78/61/1355387861.db2.gz GHAGVPRYDBWHNZ-WOJBJXKFSA-N 2 0 343.515 2.445 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001666110283 1355453772 /nfs/dbraw/zinc/45/37/72/1355453772.db2.gz GEDSWOIEUFJSHI-MJGOQNOKSA-N 2 0 333.520 2.347 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001666140034 1355464590 /nfs/dbraw/zinc/46/45/90/1355464590.db2.gz OSEODGILIGXRCC-QGZVFWFLSA-N 2 0 347.503 2.365 10 0 EEAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001666145082 1355465774 /nfs/dbraw/zinc/46/57/74/1355465774.db2.gz CZVXYBZJBCUPBE-LJQANCHMSA-N 2 0 331.504 2.399 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001666241047 1355493252 /nfs/dbraw/zinc/49/32/52/1355493252.db2.gz YYUXVVPKWGWXTL-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001666808350 1355593398 /nfs/dbraw/zinc/59/33/98/1355593398.db2.gz FVOQVBBRFDXJQV-CALCHBBNSA-N 2 0 339.524 2.303 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001667279686 1355697401 /nfs/dbraw/zinc/69/74/01/1355697401.db2.gz XJTHRCDDGIHIOQ-OALUTQOASA-N 2 0 344.503 2.427 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001667441441 1355743032 /nfs/dbraw/zinc/74/30/32/1355743032.db2.gz YMDFNSJFZBFFHP-LSDHHAIUSA-N 2 0 338.883 2.060 10 0 EEAERP C[N@H+](CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF)C1CCCCC1 ZINC001667738648 1355802825 /nfs/dbraw/zinc/80/28/25/1355802825.db2.gz OKHLSRHGSRWZAA-DOTOQJQBSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@H](C[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001668478325 1355949102 /nfs/dbraw/zinc/94/91/02/1355949102.db2.gz WGGHWPVFXOPBPP-MRXNPFEDSA-N 2 0 332.448 2.119 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCCC(F)(F)F ZINC001668887612 1356036454 /nfs/dbraw/zinc/03/64/54/1356036454.db2.gz OEVLPLMOCSXJGF-GEXIGZQTSA-N 2 0 335.414 2.465 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001671385319 1356333761 /nfs/dbraw/zinc/33/37/61/1356333761.db2.gz TZMWVJMSRRMQGW-SFHVURJKSA-N 2 0 345.487 2.050 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@](C)(C[NH2+]C/C=C\Cl)C2)CC1 ZINC001671788739 1356414366 /nfs/dbraw/zinc/41/43/66/1356414366.db2.gz APKGAVGROWLVLJ-KNYPUDEUSA-N 2 0 327.900 2.299 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001671867712 1356427080 /nfs/dbraw/zinc/42/70/80/1356427080.db2.gz IUCQFLQYDYVNSB-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001672329215 1356502377 /nfs/dbraw/zinc/50/23/77/1356502377.db2.gz VOSKAVDXLBXEET-PKOBYXMFSA-N 2 0 331.504 2.255 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCCCCF)C1 ZINC001672537726 1356549550 /nfs/dbraw/zinc/54/95/50/1356549550.db2.gz KICIQRRXABYYMZ-YESZJQIVSA-N 2 0 325.472 2.143 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2conc2C)C1 ZINC001672805576 1356588539 /nfs/dbraw/zinc/58/85/39/1356588539.db2.gz NTALERXPQZVITP-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001672910056 1356613214 /nfs/dbraw/zinc/61/32/14/1356613214.db2.gz KJGBGHFDPLWMBT-AEFFLSMTSA-N 2 0 333.520 2.347 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001673929267 1356761959 /nfs/dbraw/zinc/76/19/59/1356761959.db2.gz QWNHCVBLSMWLPV-UONOGXRCSA-N 2 0 337.430 2.496 10 0 EEAERP CC(C)C[NH2+]CCCOC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001675153741 1356939784 /nfs/dbraw/zinc/93/97/84/1356939784.db2.gz QXBONNIEGMSLEG-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001675258013 1356953672 /nfs/dbraw/zinc/95/36/72/1356953672.db2.gz MKHFOFLOKGIVBR-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001690621145 1404930934 /nfs/dbraw/zinc/93/09/34/1404930934.db2.gz NSCAHANFSNIHOZ-YJBOKZPZSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698747589 1405041961 /nfs/dbraw/zinc/04/19/61/1405041961.db2.gz DPMYQMNSKKRFSL-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1 ZINC001698920466 1405161803 /nfs/dbraw/zinc/16/18/03/1405161803.db2.gz MKABSKBKDYKPCU-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001698920465 1405162121 /nfs/dbraw/zinc/16/21/21/1405162121.db2.gz MKABSKBKDYKPCU-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114562 1405270036 /nfs/dbraw/zinc/27/00/36/1405270036.db2.gz HZKFLHRQLCWUBD-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001699552217 1405389002 /nfs/dbraw/zinc/38/90/02/1405389002.db2.gz XFPLLHGBFWBCOG-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP COCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699848668 1405525411 /nfs/dbraw/zinc/52/54/11/1405525411.db2.gz QVSBJYJDKCKTIW-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC[NH+]2CCCCC2)cc(Cl)n1 ZINC000846701256 790441353 /nfs/dbraw/zinc/44/13/53/790441353.db2.gz SXUFDHLNHBQNMS-OAHLLOKOSA-N 2 0 338.883 2.378 10 0 EEAERP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1Cl ZINC000819172279 785446120 /nfs/dbraw/zinc/44/61/20/785446120.db2.gz CBLNBKOGBAYUIH-KURKYZTESA-N 2 0 338.879 2.341 10 0 EEAERP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000912809442 788377085 /nfs/dbraw/zinc/37/70/85/788377085.db2.gz GZSPLPPWFCKRDG-WMZOPIPTSA-N 2 0 332.492 2.487 10 0 EEAERP O=C(NCc1ccc(F)cc1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923302972 789341602 /nfs/dbraw/zinc/34/16/02/789341602.db2.gz FWNQVQRMDWEOSE-UHFFFAOYSA-N 2 0 333.451 2.296 10 0 EEAERP c1ccc(CCCO[C@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923315166 789355552 /nfs/dbraw/zinc/35/55/52/789355552.db2.gz QSMKCGQPIBBDIR-OALUTQOASA-N 2 0 330.472 2.089 10 0 EEAERP O[C@@H](COc1ccccc1F)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923388920 789485322 /nfs/dbraw/zinc/48/53/22/789485322.db2.gz PPGZQVOWWSNEBE-IAGOWNOFSA-N 2 0 336.451 2.277 10 0 EEAERP Cc1cc(C)cc(OC[C@H](O)CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000923426145 789527702 /nfs/dbraw/zinc/52/77/02/789527702.db2.gz NJLUMAPJODAQDH-FMKPAKJESA-N 2 0 346.393 2.112 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923428337 789529017 /nfs/dbraw/zinc/52/90/17/789529017.db2.gz ONIRWHPYDKBUDF-XLIONFOSSA-N 2 0 348.487 2.291 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000923448482 789561875 /nfs/dbraw/zinc/56/18/75/789561875.db2.gz CTBYMURDTUEPAC-SFHVURJKSA-N 2 0 326.444 2.202 10 0 EEAERP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455415 789571877 /nfs/dbraw/zinc/57/18/77/789571877.db2.gz UCQUSRVQQLUWAV-IAGOWNOFSA-N 2 0 339.524 2.291 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923511164 789698141 /nfs/dbraw/zinc/69/81/41/789698141.db2.gz ZXKKEKFWTGCAOJ-VXGBXAGGSA-N 2 0 340.265 2.304 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC000921617963 789934106 /nfs/dbraw/zinc/93/41/06/789934106.db2.gz UUUYIFPMUZOYEK-CPFNUKBASA-N 2 0 336.524 2.421 10 0 EEAERP CC[N@H+](CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000846177720 790079300 /nfs/dbraw/zinc/07/93/00/790079300.db2.gz QGEQVSPBEINXLA-OAHLLOKOSA-N 2 0 346.466 2.328 10 0 EEAERP CSCc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000921691193 795309494 /nfs/dbraw/zinc/30/94/94/795309494.db2.gz UBGICDLGDPIGTR-QGZVFWFLSA-N 2 0 335.517 2.227 10 0 EEAERP C[C@@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677589 796406069 /nfs/dbraw/zinc/40/60/69/796406069.db2.gz GNSAQHPAPTYBCX-WJMWBRGCSA-N 2 0 343.515 2.350 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000811460996 798574488 /nfs/dbraw/zinc/57/44/88/798574488.db2.gz DLVZZLKZDSCXBS-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2OCCCO2)CC1 ZINC000922276305 800199494 /nfs/dbraw/zinc/19/94/94/800199494.db2.gz BEJIMHBFVVODGF-UHFFFAOYSA-N 2 0 333.476 2.071 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001566002215 1125496467 /nfs/dbraw/zinc/49/64/67/1125496467.db2.gz UKNJWNXRWZAONN-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1ccncc1C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001566453295 1125613813 /nfs/dbraw/zinc/61/38/13/1125613813.db2.gz JCOXOJCJSXHFHW-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001566516579 1125687698 /nfs/dbraw/zinc/68/76/98/1125687698.db2.gz QDZBOCNYSOOUFV-NVXWUHKLSA-N 2 0 333.476 2.146 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)o1 ZINC001566518816 1125690655 /nfs/dbraw/zinc/69/06/55/1125690655.db2.gz LZLBZESSNCKILI-UHFFFAOYSA-N 2 0 336.480 2.106 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001436473930 1087936791 /nfs/dbraw/zinc/93/67/91/1087936791.db2.gz XCOMWXLQHYKWSL-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+][C@H](C)COC)C1 ZINC001436475126 1087943784 /nfs/dbraw/zinc/94/37/84/1087943784.db2.gz LBILKPKZZCLBNI-SJORKVTESA-N 2 0 327.513 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]21)[NH+](C)C ZINC001437078633 1089015011 /nfs/dbraw/zinc/01/50/11/1089015011.db2.gz APQMRBLECLYSGI-UKNAQKAOSA-N 2 0 329.488 2.443 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437260684 1089403001 /nfs/dbraw/zinc/40/30/01/1089403001.db2.gz JDASPFYDDZPOIV-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[N@H+](CCC(F)(F)F)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437339701 1089533887 /nfs/dbraw/zinc/53/38/87/1089533887.db2.gz WUIFTUXOPLJUPC-UONOGXRCSA-N 2 0 335.414 2.346 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001437404932 1089679498 /nfs/dbraw/zinc/67/94/98/1089679498.db2.gz UFXUTKPSUGUUGL-DOTOQJQBSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)CC[NH+]2CCCCC2)s1 ZINC001437429547 1089725547 /nfs/dbraw/zinc/72/55/47/1089725547.db2.gz VHIOBTGWBMQGOW-CQSZACIVSA-N 2 0 338.521 2.312 10 0 EEAERP CO[C@@H](C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C)C1CCCC1 ZINC001437698401 1090241717 /nfs/dbraw/zinc/24/17/17/1090241717.db2.gz NSZDIXMINUHSIA-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001437725940 1090280435 /nfs/dbraw/zinc/28/04/35/1090280435.db2.gz KIQHJNZASUOODK-IRXDYDNUSA-N 2 0 347.478 2.148 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001437728044 1090284792 /nfs/dbraw/zinc/28/47/92/1090284792.db2.gz OGVBJAXUXGBQMT-NVXWUHKLSA-N 2 0 347.478 2.414 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001437928960 1090522137 /nfs/dbraw/zinc/52/21/37/1090522137.db2.gz HBYRVMHTEZURCP-YJBOKZPZSA-N 2 0 348.466 2.033 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001438128543 1090653725 /nfs/dbraw/zinc/65/37/25/1090653725.db2.gz MDMSVAWIIKWEAZ-OAHLLOKOSA-N 2 0 345.487 2.289 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001438650467 1091135332 /nfs/dbraw/zinc/13/53/32/1091135332.db2.gz KHKFSFYBQWYFLA-WMZOPIPTSA-N 2 0 349.523 2.273 10 0 EEAERP C[C@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)C[NH+]1CCCC1 ZINC001438718537 1091242756 /nfs/dbraw/zinc/24/27/56/1091242756.db2.gz GJXNNODVJIELTB-CQSZACIVSA-N 2 0 346.500 2.329 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438720471 1091246721 /nfs/dbraw/zinc/24/67/21/1091246721.db2.gz JKIKZPUTRVXYHD-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)cc2)C1 ZINC001445596036 1091389345 /nfs/dbraw/zinc/38/93/45/1091389345.db2.gz SWTONIJGFLLWGY-WMZOPIPTSA-N 2 0 347.503 2.412 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001439113901 1091758292 /nfs/dbraw/zinc/75/82/92/1091758292.db2.gz CDBOQDZJDUKJRA-VQIMIIECSA-N 2 0 346.519 2.221 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001445881171 1091809027 /nfs/dbraw/zinc/80/90/27/1091809027.db2.gz NLRFPOOGOBKLAB-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001439214706 1091858945 /nfs/dbraw/zinc/85/89/45/1091858945.db2.gz OWVOOBHFGRDBMQ-LPHOPBHVSA-N 2 0 344.503 2.391 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001439215421 1091859885 /nfs/dbraw/zinc/85/98/85/1091859885.db2.gz SEJLJNXGEHTYKY-LBPRGKRZSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439323657 1091999312 /nfs/dbraw/zinc/99/93/12/1091999312.db2.gz FWNXQTNWFWGJBA-ROWOATAPSA-N 2 0 329.488 2.477 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001439323637 1091999557 /nfs/dbraw/zinc/99/95/57/1091999557.db2.gz HEFVCFREZRFIKW-ZFWWWQNUSA-N 2 0 338.521 2.261 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001439498197 1092330265 /nfs/dbraw/zinc/33/02/65/1092330265.db2.gz SHZNVWTYVBODJL-GOSISDBHSA-N 2 0 333.451 2.236 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1ccccc1F ZINC001446250201 1092372982 /nfs/dbraw/zinc/37/29/82/1092372982.db2.gz PKVFCWMFLFGXRV-HUUCEWRRSA-N 2 0 333.451 2.467 10 0 EEAERP CCCc1ccc(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)cc1 ZINC001446264498 1092405016 /nfs/dbraw/zinc/40/50/16/1092405016.db2.gz GSYAGRSADYPXRP-UHFFFAOYSA-N 2 0 341.499 2.473 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(F)cc1F ZINC001439595002 1092495088 /nfs/dbraw/zinc/49/50/88/1092495088.db2.gz OBHKIXLMCMMXLO-LRDDRELGSA-N 2 0 337.414 2.358 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001439606512 1092512486 /nfs/dbraw/zinc/51/24/86/1092512486.db2.gz FWVNDDUPPPJFLU-GDBMZVCRSA-N 2 0 333.451 2.213 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)sn1 ZINC001439679875 1092620732 /nfs/dbraw/zinc/62/07/32/1092620732.db2.gz YCBKUIKAWMNFQS-ZIAGYGMSSA-N 2 0 336.505 2.063 10 0 EEAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CCc2cccs2)CC1 ZINC001439925902 1093005043 /nfs/dbraw/zinc/00/50/43/1093005043.db2.gz WCAGYCOQCOGSNL-UHFFFAOYSA-N 2 0 337.533 2.461 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001439942505 1093046269 /nfs/dbraw/zinc/04/62/69/1093046269.db2.gz QXTQDQIXSBDZOY-LJQANCHMSA-N 2 0 348.491 2.222 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001440123854 1093184515 /nfs/dbraw/zinc/18/45/15/1093184515.db2.gz NHILLOVLWLFJEV-HIFRSBDPSA-N 2 0 331.451 2.199 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c(C)n1 ZINC001440132423 1093197929 /nfs/dbraw/zinc/19/79/29/1093197929.db2.gz JOWJGCNVVHSKFT-KXBFYZLASA-N 2 0 346.519 2.224 10 0 EEAERP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001440192905 1093258334 /nfs/dbraw/zinc/25/83/34/1093258334.db2.gz SXIXNSYYLSHAAH-FQEVSTJZSA-N 2 0 347.503 2.105 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)c1ccccc1 ZINC001440201958 1093274111 /nfs/dbraw/zinc/27/41/11/1093274111.db2.gz SHWSJAQPJBEQNO-HKUYNNGSSA-N 2 0 347.503 2.031 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001448507511 1093533216 /nfs/dbraw/zinc/53/32/16/1093533216.db2.gz BILOPUUQXVBWGR-JCNLHEQBSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)o1 ZINC001448510887 1093536496 /nfs/dbraw/zinc/53/64/96/1093536496.db2.gz OXFNQQBNNYOMKO-KLHDSHLOSA-N 2 0 336.480 2.115 10 0 EEAERP CO[C@H](C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1)C1CCC1 ZINC001448534201 1093570522 /nfs/dbraw/zinc/57/05/22/1093570522.db2.gz HNJWYAUVHVOMRH-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)s1 ZINC001440397029 1093578467 /nfs/dbraw/zinc/57/84/67/1093578467.db2.gz PEMZJTUFMPTBCS-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)o1 ZINC001448554090 1093598088 /nfs/dbraw/zinc/59/80/88/1093598088.db2.gz LCTJNINSGWVFCS-CVEARBPZSA-N 2 0 336.480 2.006 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2cnc(C)cn2)C1 ZINC001440412152 1093606250 /nfs/dbraw/zinc/60/62/50/1093606250.db2.gz QDWOPOFJUTWLGU-IXDOHACOSA-N 2 0 347.507 2.062 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)s1 ZINC001448660473 1093727896 /nfs/dbraw/zinc/72/78/96/1093727896.db2.gz MUCIHDNEBCUUNO-YPMHNXCESA-N 2 0 329.897 2.432 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCc1cccs1 ZINC001440492370 1093729909 /nfs/dbraw/zinc/72/99/09/1093729909.db2.gz HWCBJUHRMBSBNS-ZBFHGGJFSA-N 2 0 335.517 2.211 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001448685671 1093750242 /nfs/dbraw/zinc/75/02/42/1093750242.db2.gz RDQRYLICAWCDQV-CJNGLKHVSA-N 2 0 339.430 2.386 10 0 EEAERP CCC1([NH2+]C[C@@H](C)O)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001440530376 1093788511 /nfs/dbraw/zinc/78/85/11/1093788511.db2.gz LGFJNVQURDMNKE-MRXNPFEDSA-N 2 0 347.503 2.103 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001448721910 1093793621 /nfs/dbraw/zinc/79/36/21/1093793621.db2.gz CEUOSMPKIRQRQR-IAGOWNOFSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001440583889 1093850725 /nfs/dbraw/zinc/85/07/25/1093850725.db2.gz VPGPRPDJUZJEBH-RQTGCPSESA-N 2 0 327.900 2.440 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001448780145 1093860603 /nfs/dbraw/zinc/86/06/03/1093860603.db2.gz XWAWWVOTNKJMMR-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]C/C=C/Cl)C1 ZINC001440722613 1093967562 /nfs/dbraw/zinc/96/75/62/1093967562.db2.gz RYTJIBFGWLKWFF-CAHGESCQSA-N 2 0 333.863 2.062 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCc3cccs3)[C@@H]2C1 ZINC001449056815 1094071897 /nfs/dbraw/zinc/07/18/97/1094071897.db2.gz XNFRURADZJMETK-JQHSSLGASA-N 2 0 349.544 2.459 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC001449367353 1094334290 /nfs/dbraw/zinc/33/42/90/1094334290.db2.gz KZDGUJXITFQEBT-STQMWFEESA-N 2 0 341.393 2.057 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001441212709 1094576543 /nfs/dbraw/zinc/57/65/43/1094576543.db2.gz QEXISJXIKXLPSX-HNNXBMFYSA-N 2 0 342.487 2.445 10 0 EEAERP Cc1nocc1C[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001441238332 1094623037 /nfs/dbraw/zinc/62/30/37/1094623037.db2.gz QOPSGUJIHRPLHB-MAUKXSAKSA-N 2 0 348.491 2.232 10 0 EEAERP COc1ccc(C[NH2+][C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001441257872 1094657394 /nfs/dbraw/zinc/65/73/94/1094657394.db2.gz PQAPBPRJYDICTR-VQIMIIECSA-N 2 0 345.487 2.021 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)C1 ZINC001441285858 1094712254 /nfs/dbraw/zinc/71/22/54/1094712254.db2.gz YJLXHDNRBQBWTK-ZWKOTPCHSA-N 2 0 333.451 2.092 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001441532623 1095244788 /nfs/dbraw/zinc/24/47/88/1095244788.db2.gz XOWLGDWUYYAWKA-KFWWJZLASA-N 2 0 331.451 2.391 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC001441557630 1095299806 /nfs/dbraw/zinc/29/98/06/1095299806.db2.gz WLUIUVFHZGLVJL-OALUTQOASA-N 2 0 344.503 2.284 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001441853205 1095941534 /nfs/dbraw/zinc/94/15/34/1095941534.db2.gz CEVCCZMTBHXESI-AOIWGVFYSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C(C)(C)C1 ZINC001441910263 1096082815 /nfs/dbraw/zinc/08/28/15/1096082815.db2.gz CEHVHOXSSNXEBB-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1C ZINC001441930944 1096119113 /nfs/dbraw/zinc/11/91/13/1096119113.db2.gz OIRBNSMMGWMYLW-SJLPKXTDSA-N 2 0 347.503 2.330 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001441936794 1096129827 /nfs/dbraw/zinc/12/98/27/1096129827.db2.gz PYRGYBONTDJASB-AWEZNQCLSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001441982053 1096185594 /nfs/dbraw/zinc/18/55/94/1096185594.db2.gz ALLOFAICTYAAES-GUYCJALGSA-N 2 0 336.480 2.149 10 0 EEAERP CO[C@H](C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001442217584 1096511167 /nfs/dbraw/zinc/51/11/67/1096511167.db2.gz PYUOTLFAOYULED-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001442221650 1096516889 /nfs/dbraw/zinc/51/68/89/1096516889.db2.gz NUPGKYDAFAVVHU-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001442252832 1096554391 /nfs/dbraw/zinc/55/43/91/1096554391.db2.gz IKZBYGFOSSECSX-CRAIPNDOSA-N 2 0 347.478 2.460 10 0 EEAERP C[C@@H](C(=O)NCC[N@H+](C)C[C@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001442546464 1096909171 /nfs/dbraw/zinc/90/91/71/1096909171.db2.gz WRUJNUOOCTUKKR-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CCc2ccns2)cc1 ZINC001442553082 1096915734 /nfs/dbraw/zinc/91/57/34/1096915734.db2.gz GRZUIWWHGWYLDZ-UHFFFAOYSA-N 2 0 346.500 2.109 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cnc(C)s1 ZINC001442953435 1097370921 /nfs/dbraw/zinc/37/09/21/1097370921.db2.gz ORVLESPYVPHQDK-AWEZNQCLSA-N 2 0 338.521 2.122 10 0 EEAERP O=C(NCC[N@@H+](Cc1ccc(F)cc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001442992761 1097412500 /nfs/dbraw/zinc/41/25/00/1097412500.db2.gz GCEIYDQOFJLBDQ-IBGZPJMESA-N 2 0 345.462 2.248 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001443107646 1097520425 /nfs/dbraw/zinc/52/04/25/1097520425.db2.gz MPLYGSHBAFSYKX-CABCVRRESA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001443107651 1097520582 /nfs/dbraw/zinc/52/05/82/1097520582.db2.gz MPLYGSHBAFSYKX-GJZGRUSLSA-N 2 0 327.488 2.436 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001443203720 1097653289 /nfs/dbraw/zinc/65/32/89/1097653289.db2.gz YNTNNDKJHGCNQU-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001443270161 1097752092 /nfs/dbraw/zinc/75/20/92/1097752092.db2.gz LZPCBVCWSPGNQZ-WMZOPIPTSA-N 2 0 347.478 2.148 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001443832471 1098338260 /nfs/dbraw/zinc/33/82/60/1098338260.db2.gz LDGBKTWAMPSIMO-FUHWJXTLSA-N 2 0 333.476 2.068 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCc1ccns1 ZINC001443964637 1098482910 /nfs/dbraw/zinc/48/29/10/1098482910.db2.gz MMKOLUGGAGMIGV-CQSZACIVSA-N 2 0 338.521 2.044 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCc2ccccc2C1 ZINC001479719201 1098805320 /nfs/dbraw/zinc/80/53/20/1098805320.db2.gz OEMPMVGASOJZPW-HLIPFELVSA-N 2 0 343.515 2.322 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccn1 ZINC001479729238 1098829541 /nfs/dbraw/zinc/82/95/41/1098829541.db2.gz OOUKXSGTZQFUMB-AEFFLSMTSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001444325537 1098888444 /nfs/dbraw/zinc/88/84/44/1098888444.db2.gz ONDNMCANBVILMK-MRXNPFEDSA-N 2 0 344.503 2.108 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001479803794 1099038950 /nfs/dbraw/zinc/03/89/50/1099038950.db2.gz DWBSOKNTRQOOBG-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1nocc1C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001479874526 1099232791 /nfs/dbraw/zinc/23/27/91/1099232791.db2.gz VHPPTPFFQKQYJW-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(NCCC[N@H+](CC[C@@H]1CCCO1)C1CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001479879447 1099246579 /nfs/dbraw/zinc/24/65/79/1099246579.db2.gz HATYDZAMMDIQNS-ICSRJNTNSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCc2ccns2)CCCC1 ZINC001444533700 1099303594 /nfs/dbraw/zinc/30/35/94/1099303594.db2.gz FNTLMIKSYMHNKR-UHFFFAOYSA-N 2 0 338.521 2.044 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CCCC1)[NH+](C)C ZINC001444536638 1099310919 /nfs/dbraw/zinc/31/09/19/1099310919.db2.gz NNEUULSQBMFDNS-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1Cl)C1CC1 ZINC001480044089 1099546265 /nfs/dbraw/zinc/54/62/65/1099546265.db2.gz NXSDOSGBQUXKJD-MRXNPFEDSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001480059185 1099582706 /nfs/dbraw/zinc/58/27/06/1099582706.db2.gz HDAJFVKLASUGIH-SFHVURJKSA-N 2 0 345.462 2.214 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001444776611 1099679420 /nfs/dbraw/zinc/67/94/20/1099679420.db2.gz AWQRSBBMRZBCOU-MAUKXSAKSA-N 2 0 335.467 2.412 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCCc3cccc(F)c3)C2)CC1 ZINC001480154142 1099724916 /nfs/dbraw/zinc/72/49/16/1099724916.db2.gz AGOHCIFAPJFPCA-IYARVYRRSA-N 2 0 347.478 2.337 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001480171531 1099750492 /nfs/dbraw/zinc/75/04/92/1099750492.db2.gz WWZZYWVOLOCDLZ-QAQDUYKDSA-N 2 0 337.508 2.058 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]2C[N@H+](CCF)CC[C@H]21 ZINC001480190110 1099789866 /nfs/dbraw/zinc/78/98/66/1099789866.db2.gz WSQYCYDSDJWLIP-IAGOWNOFSA-N 2 0 325.472 2.145 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480208192 1099814887 /nfs/dbraw/zinc/81/48/87/1099814887.db2.gz QPCYBTYPYDFQRN-LJIGWXMPSA-N 2 0 325.472 2.378 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C3CC3)n2)C1 ZINC001480238585 1099869053 /nfs/dbraw/zinc/86/90/53/1099869053.db2.gz VAKCASSVYDMOAH-OKILXGFUSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001480269151 1099970372 /nfs/dbraw/zinc/97/03/72/1099970372.db2.gz DEQOMVRMZHLXTQ-LJQANCHMSA-N 2 0 329.488 2.419 10 0 EEAERP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001480284803 1099992185 /nfs/dbraw/zinc/99/21/85/1099992185.db2.gz WUNKJEKFSBHZFN-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001480388252 1100191067 /nfs/dbraw/zinc/19/10/67/1100191067.db2.gz WQMYHWPAGVWUKC-RDJZCZTQSA-N 2 0 348.466 2.033 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]21 ZINC001480394296 1100202853 /nfs/dbraw/zinc/20/28/53/1100202853.db2.gz DPHAKWHFZQCIKF-CDUQMYMXSA-N 2 0 327.472 2.088 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001480492469 1100304629 /nfs/dbraw/zinc/30/46/29/1100304629.db2.gz KTKNSCDTTMMCCD-HOCLYGCPSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC001480556572 1100396749 /nfs/dbraw/zinc/39/67/49/1100396749.db2.gz WKIVNRTZXMWENE-ZDUSSCGKSA-N 2 0 346.500 2.421 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnoc1C)c1ccccc1 ZINC001480570197 1100414182 /nfs/dbraw/zinc/41/41/82/1100414182.db2.gz RWCKPHPEKMBKRW-KBXCAEBGSA-N 2 0 344.459 2.270 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1conc1C ZINC001495148205 1100820169 /nfs/dbraw/zinc/82/01/69/1100820169.db2.gz ZDOGAOWCBSIAFJ-IRXDYDNUSA-N 2 0 336.480 2.088 10 0 EEAERP O=C(NC1(C[NH2+]Cc2ccns2)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001495161044 1100834007 /nfs/dbraw/zinc/83/40/07/1100834007.db2.gz TUUGLFMTFVFUNW-MRXNPFEDSA-N 2 0 348.516 2.004 10 0 EEAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001446447852 1100867955 /nfs/dbraw/zinc/86/79/55/1100867955.db2.gz SCNUKIZSFRPLFQ-SJLPKXTDSA-N 2 0 349.523 2.074 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001496414025 1101007009 /nfs/dbraw/zinc/00/70/09/1101007009.db2.gz JGZCIRCHXVVLII-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]1(C)CC[N@H+](CC2CCCC2)C1 ZINC001446543390 1101007754 /nfs/dbraw/zinc/00/77/54/1101007754.db2.gz XBUWBCAQBOWURK-SJLPKXTDSA-N 2 0 327.488 2.437 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001495592836 1101295800 /nfs/dbraw/zinc/29/58/00/1101295800.db2.gz LYHSWWJRVDBVHA-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001495734590 1101500772 /nfs/dbraw/zinc/50/07/72/1101500772.db2.gz OULVFOQETMLORX-RDTXWAMCSA-N 2 0 335.467 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cccnc1C)C2 ZINC001446922274 1101599661 /nfs/dbraw/zinc/59/96/61/1101599661.db2.gz ITMDBEXFZRNGLM-UHOSZYNNSA-N 2 0 344.503 2.201 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001495816755 1101635722 /nfs/dbraw/zinc/63/57/22/1101635722.db2.gz VHNYHBIHEYHEHH-HOCLYGCPSA-N 2 0 338.521 2.105 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2nccn21 ZINC001496107267 1102073953 /nfs/dbraw/zinc/07/39/53/1102073953.db2.gz GDKLRMKFUYBCHA-OAHLLOKOSA-N 2 0 332.448 2.057 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497219441 1102143968 /nfs/dbraw/zinc/14/39/68/1102143968.db2.gz AVNGNYRYDNMTIU-HOCLYGCPSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497255804 1102201773 /nfs/dbraw/zinc/20/17/73/1102201773.db2.gz JKAUYOSDNFWMIK-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001447270969 1102352219 /nfs/dbraw/zinc/35/22/19/1102352219.db2.gz WTXBMISPEASYIA-HNNXBMFYSA-N 2 0 339.499 2.485 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497486793 1102566359 /nfs/dbraw/zinc/56/63/59/1102566359.db2.gz UGKXNXWGJIXBIZ-GJZGRUSLSA-N 2 0 333.467 2.446 10 0 EEAERP CCC1([NH2+]Cc2cnoc2C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001447404784 1102599961 /nfs/dbraw/zinc/59/99/61/1102599961.db2.gz FXBADFNXTRJORN-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001447532768 1102797242 /nfs/dbraw/zinc/79/72/42/1102797242.db2.gz BOXMHQAXWAVFTK-DYVFJYSZSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C/CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001497672710 1102873672 /nfs/dbraw/zinc/87/36/72/1102873672.db2.gz CMRWLRVPNUZYGB-ONEGZZNKSA-N 2 0 329.488 2.141 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cccc2cccnc21 ZINC001497749178 1103019486 /nfs/dbraw/zinc/01/94/86/1103019486.db2.gz DTFCNDPANGVAGR-UPHRSURJSA-N 2 0 338.455 2.093 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001497817907 1103146359 /nfs/dbraw/zinc/14/63/59/1103146359.db2.gz LSYNZIWBLIHUFY-FHLIZLRMSA-N 2 0 332.492 2.023 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497910777 1103312334 /nfs/dbraw/zinc/31/23/34/1103312334.db2.gz PPHLBKQPSDMKLR-CYBMUJFWSA-N 2 0 340.899 2.307 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001447803384 1103364867 /nfs/dbraw/zinc/36/48/67/1103364867.db2.gz BCFAWPBYKSODLD-SHARSMKWSA-N 2 0 345.422 2.113 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001447870393 1103481465 /nfs/dbraw/zinc/48/14/65/1103481465.db2.gz AFFHWOAKTQIEND-CHWSQXEVSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001494078173 1103485063 /nfs/dbraw/zinc/48/50/63/1103485063.db2.gz GSBLPJYHFLZONT-NVXWUHKLSA-N 2 0 335.517 2.336 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1cnccn1 ZINC001448220222 1104203562 /nfs/dbraw/zinc/20/35/62/1104203562.db2.gz LMYQMCJVJULBCE-SJORKVTESA-N 2 0 347.507 2.096 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCCC2)O1 ZINC001448236818 1104226717 /nfs/dbraw/zinc/22/67/17/1104226717.db2.gz PWMFZKNQJADDIO-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001480706487 1106924172 /nfs/dbraw/zinc/92/41/72/1106924172.db2.gz FACOCGPIZFVMPT-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP COCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001480728587 1106985604 /nfs/dbraw/zinc/98/56/04/1106985604.db2.gz BDTRIXWXSZMYJV-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H]([NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1)c1ccccc1 ZINC001498150893 1106988922 /nfs/dbraw/zinc/98/89/22/1106988922.db2.gz MGSWWYXAQBPBHJ-QFBILLFUSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480803873 1107146693 /nfs/dbraw/zinc/14/66/93/1107146693.db2.gz LVWIPVLZTHZHSS-HZPDHXFCSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccccc1CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498249545 1107153244 /nfs/dbraw/zinc/15/32/44/1107153244.db2.gz ZGFOYRBUYFIEMI-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC001480827458 1107209384 /nfs/dbraw/zinc/20/93/84/1107209384.db2.gz BHWLLZZVOYOXFY-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2CC[NH+](C)CC2)co1 ZINC001480830674 1107219330 /nfs/dbraw/zinc/21/93/30/1107219330.db2.gz NJXGMLWDPFSKHX-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C[C@H]1CCC(F)(F)C1 ZINC001493008600 1107288888 /nfs/dbraw/zinc/28/88/88/1107288888.db2.gz FJPKBNDBQULTCJ-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCc2ccccc21 ZINC001493043703 1107379729 /nfs/dbraw/zinc/37/97/29/1107379729.db2.gz QYRWXPYONUXSKZ-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCC1CCOCC1 ZINC001493063197 1107423423 /nfs/dbraw/zinc/42/34/23/1107423423.db2.gz NMHHEKSROJXOMZ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)c1C ZINC001498380778 1107424892 /nfs/dbraw/zinc/42/48/92/1107424892.db2.gz KEQCHQPDZLBSDS-HOTGVXAUSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C12CC[NH+](CC1)C2 ZINC001498425773 1107498451 /nfs/dbraw/zinc/49/84/51/1107498451.db2.gz QABWVOLEMWJHII-INIZCTEOSA-N 2 0 341.499 2.208 10 0 EEAERP Cc1ccc(CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001498457505 1107567598 /nfs/dbraw/zinc/56/75/98/1107567598.db2.gz NVTOWYWUVWYPCK-SFHVURJKSA-N 2 0 331.504 2.460 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001498505350 1107649806 /nfs/dbraw/zinc/64/98/06/1107649806.db2.gz RNTLULINRVVLGH-IAGOWNOFSA-N 2 0 327.488 2.487 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001493254864 1107781765 /nfs/dbraw/zinc/78/17/65/1107781765.db2.gz KMJJEAGXQLLCSO-HOTGVXAUSA-N 2 0 335.517 2.071 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1c(F)cccc1F)[NH+](C)C ZINC001498610278 1107805133 /nfs/dbraw/zinc/80/51/33/1107805133.db2.gz BXPCTSJBVGACHA-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP CCC[N@H+](CCNC(=O)Cc1cncn1C)Cc1ccnc(Cl)c1 ZINC001493324661 1107933670 /nfs/dbraw/zinc/93/36/70/1107933670.db2.gz DGUCKODJZLMKFC-UHFFFAOYSA-N 2 0 349.866 2.039 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001498762568 1108051839 /nfs/dbraw/zinc/05/18/39/1108051839.db2.gz VJZBKBWABPRVFE-CVEARBPZSA-N 2 0 343.462 2.389 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)sn1 ZINC001493748118 1108618914 /nfs/dbraw/zinc/61/89/14/1108618914.db2.gz KDBXBLMUORAFNI-UHFFFAOYSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CCN(C)C(=O)CCc1cncn1C ZINC001493779297 1108655791 /nfs/dbraw/zinc/65/57/91/1108655791.db2.gz HEPSRNPDOOZFIZ-UHFFFAOYSA-N 2 0 347.463 2.021 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001493794629 1108674690 /nfs/dbraw/zinc/67/46/90/1108674690.db2.gz YHHPDISXGJZPIJ-UHFFFAOYSA-N 2 0 333.476 2.118 10 0 EEAERP CCOC(=O)CCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC001460184695 1110258083 /nfs/dbraw/zinc/25/80/83/1110258083.db2.gz XZPKRGDQZGUUEM-SJPCQFCGSA-N 2 0 326.481 2.293 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001464874925 1110406227 /nfs/dbraw/zinc/40/62/27/1110406227.db2.gz UTANZRQRAVGBBT-IEBWSBKVSA-N 2 0 331.504 2.255 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001468184212 1110470251 /nfs/dbraw/zinc/47/02/51/1110470251.db2.gz ZAODAEBUAMDVDF-HXUWFJFHSA-N 2 0 329.488 2.349 10 0 EEAERP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC001471871528 1110534229 /nfs/dbraw/zinc/53/42/29/1110534229.db2.gz REBQBANTKDGEGF-IRXDYDNUSA-N 2 0 339.549 2.050 10 0 EEAERP C[N@@H+]1C[C@@H]2CCN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)[C@@H]2C1 ZINC001478520135 1110655117 /nfs/dbraw/zinc/65/51/17/1110655117.db2.gz OXFWPNSUGOJAKF-ZWKOTPCHSA-N 2 0 348.535 2.378 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001479409992 1110693030 /nfs/dbraw/zinc/69/30/30/1110693030.db2.gz YUIGFLIGBIWCHV-VGWMRTNUSA-N 2 0 345.478 2.492 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC[C@H]1CCCC1(F)F ZINC001499131940 1112140989 /nfs/dbraw/zinc/14/09/89/1112140989.db2.gz MUGMCFJFKCTKIU-CABCVRRESA-N 2 0 331.451 2.343 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001499920195 1112541124 /nfs/dbraw/zinc/54/11/24/1112541124.db2.gz AVAFOZXHSAXBKP-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP O=C(N[C@H](C[NH2+]CCCF)C1CCCC1)C12CCC[NH+]1CCC2 ZINC001500096775 1112615121 /nfs/dbraw/zinc/61/51/21/1112615121.db2.gz LBRQKCBPYNMMAA-MRXNPFEDSA-N 2 0 325.472 2.239 10 0 EEAERP C[C@H](C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1)[NH+]1CCCCCC1 ZINC001500114659 1112623717 /nfs/dbraw/zinc/62/37/17/1112623717.db2.gz KVXWGVSTMSSJSG-WBVHZDCISA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@](C)(CNC(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001500502691 1112893992 /nfs/dbraw/zinc/89/39/92/1112893992.db2.gz ZETITVRCSLSOOE-LJQANCHMSA-N 2 0 348.491 2.186 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501396016 1113341510 /nfs/dbraw/zinc/34/15/10/1113341510.db2.gz SBANTQYVAZPOQF-QZTJIDSGSA-N 2 0 348.491 2.144 10 0 EEAERP CCC[N@H+](C)CC(=O)NCc1cccc2c1CC[NH+]([C@@H](C)COC)C2 ZINC001501856815 1113499632 /nfs/dbraw/zinc/49/96/32/1113499632.db2.gz GRZASJMLSINUCH-INIZCTEOSA-N 2 0 347.503 2.038 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2cncs2)CC1)C1CCC1 ZINC001502125409 1113602755 /nfs/dbraw/zinc/60/27/55/1113602755.db2.gz BXIRKLLTLVXPTI-AWEZNQCLSA-N 2 0 336.505 2.098 10 0 EEAERP CCCCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001502793606 1113801715 /nfs/dbraw/zinc/80/17/15/1113801715.db2.gz PBRHAQBQJWZXSI-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CCOc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001505424969 1113959312 /nfs/dbraw/zinc/95/93/12/1113959312.db2.gz YAQWOHWMDPYDGF-MJGOQNOKSA-N 2 0 345.487 2.082 10 0 EEAERP C[C@@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC001505517128 1114032663 /nfs/dbraw/zinc/03/26/63/1114032663.db2.gz XIOPLHMARXBBKV-DNOWBOINSA-N 2 0 339.430 2.462 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001505621015 1114089469 /nfs/dbraw/zinc/08/94/69/1114089469.db2.gz BRXUAAMXAVVNJT-JKSUJKDBSA-N 2 0 347.503 2.471 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001505684802 1114129671 /nfs/dbraw/zinc/12/96/71/1114129671.db2.gz CRZYFGTZGHKIOY-CHWSQXEVSA-N 2 0 340.537 2.375 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001505725386 1114152770 /nfs/dbraw/zinc/15/27/70/1114152770.db2.gz SMDBEZLTEPBKQR-STQMWFEESA-N 2 0 327.419 2.289 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001432 1114333334 /nfs/dbraw/zinc/33/33/34/1114333334.db2.gz ALVRDKQXJMPXGN-HOTGVXAUSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)CC1CCC1 ZINC001506001789 1114333989 /nfs/dbraw/zinc/33/39/89/1114333989.db2.gz IGMYEBYKUQUDHF-KSSFIOAISA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)CC2(C)C)CC1 ZINC001506748821 1114862822 /nfs/dbraw/zinc/86/28/22/1114862822.db2.gz MCFSNKMCFFGOAK-OAHLLOKOSA-N 2 0 335.517 2.417 10 0 EEAERP Cc1oncc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001506850737 1114913958 /nfs/dbraw/zinc/91/39/58/1114913958.db2.gz ANFKVDZMYQTPDX-BQFCYCMXSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)C[C@@H](C(=O)N1CC2(C1)CCCN(CCF)C2)n1ccnc1 ZINC001506862901 1114929563 /nfs/dbraw/zinc/92/95/63/1114929563.db2.gz HRPBMHIGJHMHHG-INIZCTEOSA-N 2 0 336.455 2.364 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001507091267 1115103491 /nfs/dbraw/zinc/10/34/91/1115103491.db2.gz USHLCAFGZVGLKA-KRWDZBQOSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCCCF ZINC001507381529 1115240793 /nfs/dbraw/zinc/24/07/93/1115240793.db2.gz IZSXCKJFYAONJA-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP COCC[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001507839086 1115356392 /nfs/dbraw/zinc/35/63/92/1115356392.db2.gz AXYWBVBJKHZOES-QGZVFWFLSA-N 2 0 327.513 2.066 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)s1 ZINC001508028248 1115392788 /nfs/dbraw/zinc/39/27/88/1115392788.db2.gz NUEFZNZEJHKCGS-UONOGXRCSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001508086206 1115416464 /nfs/dbraw/zinc/41/64/64/1115416464.db2.gz OLLQTPQQIDGQCB-ZIAGYGMSSA-N 2 0 337.430 2.353 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001567922487 1124181756 /nfs/dbraw/zinc/18/17/56/1124181756.db2.gz SVFQCBLQJWEGQO-MJGOQNOKSA-N 2 0 347.503 2.328 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001568065849 1124271044 /nfs/dbraw/zinc/27/10/44/1124271044.db2.gz FPEZAGGRABHAMV-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001568540110 1124600828 /nfs/dbraw/zinc/60/08/28/1124600828.db2.gz KUONRXIAFHLWTP-NVXWUHKLSA-N 2 0 347.528 2.261 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001568651108 1124662321 /nfs/dbraw/zinc/66/23/21/1124662321.db2.gz JOCMGBACSIEMJR-BBRMVZONSA-N 2 0 332.448 2.166 10 0 EEAERP CCc1nocc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001568870317 1124897551 /nfs/dbraw/zinc/89/75/51/1124897551.db2.gz BCCDKNJPLJEESN-NCWIEVAOSA-N 2 0 346.475 2.016 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)c1C ZINC001568872965 1124899661 /nfs/dbraw/zinc/89/96/61/1124899661.db2.gz CSTWQTVFXVWIEE-DUMMIQTOSA-N 2 0 345.487 2.250 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001568898090 1124926826 /nfs/dbraw/zinc/92/68/26/1124926826.db2.gz IJWJXGVBSGBNJL-LJGXYGFNSA-N 2 0 341.499 2.463 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001568951216 1124984733 /nfs/dbraw/zinc/98/47/33/1124984733.db2.gz NLPJQGUUZLUXBO-FAAWYNLUSA-N 2 0 331.435 2.245 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568952054 1124986923 /nfs/dbraw/zinc/98/69/23/1124986923.db2.gz YAQCVPGDCBFCEH-SQRWCISFSA-N 2 0 338.883 2.083 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001569056484 1125069875 /nfs/dbraw/zinc/06/98/75/1125069875.db2.gz DSORFEQUBOYGPV-MAUKXSAKSA-N 2 0 335.467 2.335 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001569203523 1125162247 /nfs/dbraw/zinc/16/22/47/1125162247.db2.gz WMGKGOUVLOJKSI-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000339279872 282153303 /nfs/dbraw/zinc/15/33/03/282153303.db2.gz NHHKUEZBRJBYDX-UHFFFAOYSA-N 2 0 339.487 2.083 10 0 EEAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092509821 539385104 /nfs/dbraw/zinc/38/51/04/539385104.db2.gz RRKFJZFZXSSSPX-IBGZPJMESA-N 2 0 347.503 2.460 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@H]2CCC[C@H]21 ZINC000367613026 283139214 /nfs/dbraw/zinc/13/92/14/283139214.db2.gz DZHHHAOGRKDIQY-FGTMMUONSA-N 2 0 336.501 2.194 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037759733 213165467 /nfs/dbraw/zinc/16/54/67/213165467.db2.gz GCXQMWMQPQQGEG-CYBMUJFWSA-N 2 0 326.282 2.347 10 0 EEAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422788283 240224518 /nfs/dbraw/zinc/22/45/18/240224518.db2.gz QZIZCZJDNJUKDX-PMACEKPBSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422951686 240306630 /nfs/dbraw/zinc/30/66/30/240306630.db2.gz ZSVOZYCHFXSOEA-VQIMIIECSA-N 2 0 325.456 2.374 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2cccnc2)C2CC2)CC[NH2+]CC1 ZINC000423009312 240326483 /nfs/dbraw/zinc/32/64/83/240326483.db2.gz COLDIQPXGWCORZ-YOEHRIQHSA-N 2 0 331.460 2.444 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024568 240332134 /nfs/dbraw/zinc/33/21/34/240332134.db2.gz MBRWQHJJKMXZIE-RRQGHBQHSA-N 2 0 327.419 2.054 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000423047715 240342500 /nfs/dbraw/zinc/34/25/00/240342500.db2.gz VOQBUJBWWUMUEN-DBVUQKKJSA-N 2 0 347.503 2.317 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCCCCC1 ZINC000465634288 245354133 /nfs/dbraw/zinc/35/41/33/245354133.db2.gz PXZFQUGRSLFOSB-KRWDZBQOSA-N 2 0 334.508 2.297 10 0 EEAERP C[C@@H](O)CCC[NH+]1CCCC2(CCC[N@@H+](CCC[C@@H](C)O)C2)C1 ZINC000352027950 296170098 /nfs/dbraw/zinc/17/00/98/296170098.db2.gz NPSCTUVUYMPHHM-PWCSWUJKSA-N 2 0 326.525 2.486 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000097395093 219021983 /nfs/dbraw/zinc/02/19/83/219021983.db2.gz MSOYZYIBIJFUNJ-MOPGFXCFSA-N 2 0 348.535 2.435 10 0 EEAERP COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000246162725 256014610 /nfs/dbraw/zinc/01/46/10/256014610.db2.gz AJMYGRBURBJXPR-NUJGCVRESA-N 2 0 331.460 2.076 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000154538651 224268559 /nfs/dbraw/zinc/26/85/59/224268559.db2.gz XLQXUQPERRTFKP-MSOLQXFVSA-N 2 0 347.503 2.119 10 0 EEAERP COCCN1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000273025063 256258273 /nfs/dbraw/zinc/25/82/73/256258273.db2.gz BDAZUCZVUFZSJG-ZDUSSCGKSA-N 2 0 345.256 2.441 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000119080024 292240741 /nfs/dbraw/zinc/24/07/41/292240741.db2.gz BSZXBKDYBKTWIJ-HOCLYGCPSA-N 2 0 339.430 2.020 10 0 EEAERP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)ns1 ZINC000377196740 154083516 /nfs/dbraw/zinc/08/35/16/154083516.db2.gz ODFHWUWLLLSVRV-UHFFFAOYSA-N 2 0 336.505 2.132 10 0 EEAERP C[C@]1(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261911066 160426393 /nfs/dbraw/zinc/42/63/93/160426393.db2.gz YDWJQPAJDAHMTD-SFHVURJKSA-N 2 0 334.439 2.411 10 0 EEAERP COc1ccccc1OCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862644 159309591 /nfs/dbraw/zinc/30/95/91/159309591.db2.gz QYSCBJZGBNCNNK-MRXNPFEDSA-N 2 0 336.476 2.099 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194191636 160191314 /nfs/dbraw/zinc/19/13/14/160191314.db2.gz PJVXLOYZEGBLKQ-GOSISDBHSA-N 2 0 338.540 2.480 10 0 EEAERP O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158604 160338975 /nfs/dbraw/zinc/33/89/75/160338975.db2.gz RTCFFMBLFAUBNC-IEBWSBKVSA-N 2 0 327.472 2.252 10 0 EEAERP CCc1nc(CN2CCC(C[NH2+][C@@H]3CN(C)C[C@@H]3C)CC2)cs1 ZINC000344360106 161220132 /nfs/dbraw/zinc/22/01/32/161220132.db2.gz PFCIIOXVHPLUAU-WMLDXEAASA-N 3 0 336.549 2.457 10 0 EEAERP CN(C)c1ccncc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000359795582 164173697 /nfs/dbraw/zinc/17/36/97/164173697.db2.gz IYFYVPDPQKWKIX-CQSZACIVSA-N 2 0 335.398 2.367 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000360136427 164241026 /nfs/dbraw/zinc/24/10/26/164241026.db2.gz OHCWYZZZWSLWNF-MRXNPFEDSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415016758 533687546 /nfs/dbraw/zinc/68/75/46/533687546.db2.gz ORSWANDHDKJUPS-VWYCJHECSA-N 2 0 328.254 2.492 10 0 EEAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)C1 ZINC000292075501 275372241 /nfs/dbraw/zinc/37/22/41/275372241.db2.gz FCZURGVIMMDXNF-FXAWDEMLSA-N 2 0 327.472 2.176 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000358201135 276182437 /nfs/dbraw/zinc/18/24/37/276182437.db2.gz SYCKMKDMINYSDM-SFHVURJKSA-N 2 0 348.466 2.380 10 0 EEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423433363 278230193 /nfs/dbraw/zinc/23/01/93/278230193.db2.gz CFZHEKNVQCVCQJ-BYNSBNAKSA-N 2 0 329.444 2.309 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1cccc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)c1 ZINC000488736298 279110860 /nfs/dbraw/zinc/11/08/60/279110860.db2.gz QKRPTSISIGRDCC-JSJNYSNDSA-N 2 0 332.488 2.092 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc[nH]c1C1CC1 ZINC000284055667 293023990 /nfs/dbraw/zinc/02/39/90/293023990.db2.gz UTOHMWXBNGIQJQ-MRXNPFEDSA-N 2 0 332.492 2.380 10 0 EEAERP O=C1CC[C@@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333176720 312106582 /nfs/dbraw/zinc/10/65/82/312106582.db2.gz RBBDVPISLDLRFS-CTASWTNQSA-N 2 0 347.425 2.344 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000414728174 313070475 /nfs/dbraw/zinc/07/04/75/313070475.db2.gz BVYRULPABAWTBS-UHFFFAOYSA-N 2 0 347.507 2.468 10 0 EEAERP COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000414816099 313096340 /nfs/dbraw/zinc/09/63/40/313096340.db2.gz ZITCVHHTPFDRIK-CYBMUJFWSA-N 2 0 344.459 2.373 10 0 EEAERP CCCn1cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000415135127 313120038 /nfs/dbraw/zinc/12/00/38/313120038.db2.gz PUDCFILMIMDIRK-UHFFFAOYSA-N 2 0 341.503 2.376 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416807574 313321172 /nfs/dbraw/zinc/32/11/72/313321172.db2.gz HFFCIXZFKNMHQP-IRXDYDNUSA-N 2 0 346.475 2.343 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000417008386 313392394 /nfs/dbraw/zinc/39/23/94/313392394.db2.gz INFYRGJXUYDSJF-KSZLIROESA-N 2 0 336.524 2.138 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000418160668 313729637 /nfs/dbraw/zinc/72/96/37/313729637.db2.gz BJWUWVFLNOGTKT-NBMJBFSESA-N 2 0 344.503 2.380 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000418432148 313812110 /nfs/dbraw/zinc/81/21/10/313812110.db2.gz SJRPJLUWGCOFQN-MSOLQXFVSA-N 2 0 330.476 2.060 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOCCOc1ccccc1 ZINC000441245986 315176458 /nfs/dbraw/zinc/17/64/58/315176458.db2.gz GOBGBVKKHUYNIS-RLLQIKCJSA-N 2 0 348.487 2.266 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000561202959 318831274 /nfs/dbraw/zinc/83/12/74/318831274.db2.gz GQVJUDQKZQDQRA-CQSZACIVSA-N 2 0 330.476 2.380 10 0 EEAERP CC[N@H+](C)C[C@@H](O)CN1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000563363263 319000822 /nfs/dbraw/zinc/00/08/22/319000822.db2.gz GIVTVPLDFURJNB-GOSISDBHSA-N 2 0 348.487 2.040 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000564064084 319064680 /nfs/dbraw/zinc/06/46/80/319064680.db2.gz GCZIPNCOVVFGLD-OAHLLOKOSA-N 2 0 330.476 2.476 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566193962 319258656 /nfs/dbraw/zinc/25/86/56/319258656.db2.gz PSMLWSVPTGXBKX-MAUKXSAKSA-N 2 0 332.492 2.375 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000566672686 319310799 /nfs/dbraw/zinc/31/07/99/319310799.db2.gz BXJDCGRJDCXBRU-NUEKZKHPSA-N 2 0 329.423 2.116 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000570780191 319696053 /nfs/dbraw/zinc/69/60/53/319696053.db2.gz ZFKYTDCKPHVPOL-IBGZPJMESA-N 2 0 347.503 2.228 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCC1CC[NH2+]CC1 ZINC000575051132 320082729 /nfs/dbraw/zinc/08/27/29/320082729.db2.gz QSDRIIZNODPQLG-UHFFFAOYSA-N 2 0 330.476 2.081 10 0 EEAERP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)C[NH2+]C ZINC000576351070 320164342 /nfs/dbraw/zinc/16/43/42/320164342.db2.gz QHKCABGCSVQICB-FCEWJHQRSA-N 2 0 346.519 2.304 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000576373119 320166948 /nfs/dbraw/zinc/16/69/48/320166948.db2.gz DWLITPUVOQNQGN-IBGZPJMESA-N 2 0 336.524 2.284 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000576940781 320217852 /nfs/dbraw/zinc/21/78/52/320217852.db2.gz CTPXZVVIAIJSIH-VQIMIIECSA-N 2 0 344.503 2.232 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000441523920 323578403 /nfs/dbraw/zinc/57/84/03/323578403.db2.gz LFMIYFGSADEIGP-DAWZGUTISA-N 2 0 336.524 2.377 10 0 EEAERP CCOC(=O)CCc1cc(NC[C@H]2CCCC[N@H+](C)C2)nc(C)n1 ZINC000601201440 449747622 /nfs/dbraw/zinc/74/76/22/449747622.db2.gz ORDGPASQZCWGSJ-OAHLLOKOSA-N 2 0 334.464 2.425 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000074734240 462628238 /nfs/dbraw/zinc/62/82/38/462628238.db2.gz IPFNXCMVMDPOFR-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000579111161 468311982 /nfs/dbraw/zinc/31/19/82/468311982.db2.gz VGLGGNIWGQZKFA-LJQANCHMSA-N 2 0 348.487 2.341 10 0 EEAERP Cc1nc(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc2)[nH]c(=O)c1C ZINC000048435669 462910547 /nfs/dbraw/zinc/91/05/47/462910547.db2.gz PUIVEXGVYPSJCI-INIZCTEOSA-N 2 0 326.444 2.224 10 0 EEAERP C[C@H](CO)[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092396225 462950029 /nfs/dbraw/zinc/95/00/29/462950029.db2.gz NQJFJGHPHXQEKO-KGLIPLIRSA-N 2 0 325.884 2.198 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000134150323 463009392 /nfs/dbraw/zinc/00/93/92/463009392.db2.gz IKPVRJXNQMIWGV-QGZVFWFLSA-N 2 0 336.524 2.234 10 0 EEAERP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCCC1 ZINC000052873778 463114546 /nfs/dbraw/zinc/11/45/46/463114546.db2.gz WPZRAWUYJRLFJP-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCc2sccc2C1 ZINC000568512490 468349149 /nfs/dbraw/zinc/34/91/49/468349149.db2.gz RWASMEOJUABHNT-GOSISDBHSA-N 2 0 333.501 2.098 10 0 EEAERP Cn1ccnc1CC1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000105875910 463484564 /nfs/dbraw/zinc/48/45/64/463484564.db2.gz MOKBUCONDKJDQP-UHFFFAOYSA-N 2 0 344.434 2.130 10 0 EEAERP C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125458952 463546236 /nfs/dbraw/zinc/54/62/36/463546236.db2.gz ZRSUVLGSZRTSFX-QFBILLFUSA-N 2 0 336.476 2.067 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000109752172 463647358 /nfs/dbraw/zinc/64/73/58/463647358.db2.gz XCQUAIKPPDBJAT-IBGZPJMESA-N 2 0 344.503 2.117 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000111836836 463683750 /nfs/dbraw/zinc/68/37/50/463683750.db2.gz QATPNIDRFZSAOH-SJLPKXTDSA-N 2 0 332.492 2.290 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193642036 463723956 /nfs/dbraw/zinc/72/39/56/463723956.db2.gz CTVQAJUSJVMGHB-LJQANCHMSA-N 2 0 344.503 2.463 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000194136844 463797701 /nfs/dbraw/zinc/79/77/01/463797701.db2.gz QBQGGYKXCBRLNF-CVEARBPZSA-N 2 0 334.464 2.200 10 0 EEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194177463 463809651 /nfs/dbraw/zinc/80/96/51/463809651.db2.gz OQPLVJHPQKDAIK-KRWDZBQOSA-N 2 0 326.529 2.480 10 0 EEAERP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cs1 ZINC000261781650 463857561 /nfs/dbraw/zinc/85/75/61/463857561.db2.gz NWJCADROYSWHAF-ZOBUZTSGSA-N 2 0 340.512 2.295 10 0 EEAERP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cs1 ZINC000262037108 463931812 /nfs/dbraw/zinc/93/18/12/463931812.db2.gz OSDYKFJXHKRCJK-XIRDDKMYSA-N 2 0 340.512 2.295 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900965 463944867 /nfs/dbraw/zinc/94/48/67/463944867.db2.gz SEGHOYQZRVRGJC-MOPGFXCFSA-N 2 0 342.487 2.313 10 0 EEAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119230 465435707 /nfs/dbraw/zinc/43/57/07/465435707.db2.gz ZZQRLKDIIMTCNC-QAPCUYQASA-N 2 0 329.448 2.029 10 0 EEAERP Cc1ccc(N2CCC(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)CC2)nc1 ZINC000172058172 463979114 /nfs/dbraw/zinc/97/91/14/463979114.db2.gz ALYBFEMSRSXYST-FUHWJXTLSA-N 2 0 342.487 2.302 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000195120453 463995656 /nfs/dbraw/zinc/99/56/56/463995656.db2.gz WXBIBRRSFFKUMB-ROUUACIJSA-N 2 0 330.476 2.217 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000178978774 464028953 /nfs/dbraw/zinc/02/89/53/464028953.db2.gz UUSFCJBXMWZNOE-DAWZGUTISA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CC1 ZINC000269645197 464045130 /nfs/dbraw/zinc/04/51/30/464045130.db2.gz KUOGEMYCCGJQIJ-NRFANRHFSA-N 2 0 345.531 2.385 10 0 EEAERP COc1cccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)c1 ZINC000279164775 464050175 /nfs/dbraw/zinc/05/01/75/464050175.db2.gz INCCCPKNQFHONX-ZVZYQTTQSA-N 2 0 333.476 2.144 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000284456027 464197579 /nfs/dbraw/zinc/19/75/79/464197579.db2.gz SVUPOLQJQQHLLL-QRQLOZEOSA-N 2 0 331.504 2.458 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(C)C)CC2)[C@@H](C)C1 ZINC000246382929 464577727 /nfs/dbraw/zinc/57/77/27/464577727.db2.gz IKTXUYWCVRXLJH-FUHWJXTLSA-N 2 0 338.540 2.479 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000246419103 464582138 /nfs/dbraw/zinc/58/21/38/464582138.db2.gz LRPUNIBLFOKYNJ-QZTJIDSGSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000343843773 465560082 /nfs/dbraw/zinc/56/00/82/465560082.db2.gz SSCJSXSMBVDJPH-APWZRJJASA-N 2 0 344.503 2.385 10 0 EEAERP CCCC[N@H+](C)CC1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000339867452 465563310 /nfs/dbraw/zinc/56/33/10/465563310.db2.gz QYBPXQIBIQPPRA-UHFFFAOYSA-N 2 0 330.538 2.255 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000349037356 465932729 /nfs/dbraw/zinc/93/27/29/465932729.db2.gz SHPSFMNMDQFYLX-IBGZPJMESA-N 2 0 343.475 2.118 10 0 EEAERP CC[C@@H]1C[C@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000349342052 466073182 /nfs/dbraw/zinc/07/31/82/466073182.db2.gz CWZANXSOKSIVLQ-LXKKFAQKSA-N 2 0 335.536 2.434 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361894923 466387789 /nfs/dbraw/zinc/38/77/89/466387789.db2.gz RJRBGODEUHDJLX-XUVXKRRUSA-N 2 0 337.552 2.445 10 0 EEAERP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367738047 466527161 /nfs/dbraw/zinc/52/71/61/466527161.db2.gz RBHDTJQJRAHMJQ-KSZLIROESA-N 2 0 332.444 2.201 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000358195313 466531987 /nfs/dbraw/zinc/53/19/87/466531987.db2.gz LNMIZBMPBSOCTK-INIZCTEOSA-N 2 0 336.505 2.302 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290745 466709622 /nfs/dbraw/zinc/70/96/22/466709622.db2.gz FHOLUCJTMOBYNB-KGLIPLIRSA-N 2 0 347.484 2.465 10 0 EEAERP COc1ccc(OC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662251306 472043408 /nfs/dbraw/zinc/04/34/08/472043408.db2.gz CNEGVGBRWVWXTF-GOSISDBHSA-N 2 0 332.444 2.059 10 0 EEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417553652 466882116 /nfs/dbraw/zinc/88/21/16/466882116.db2.gz HOXSTXGYEYLMDP-MJGOQNOKSA-N 2 0 336.524 2.426 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1F ZINC000417657747 466901229 /nfs/dbraw/zinc/90/12/29/466901229.db2.gz IDSRHRRGFQDARN-KRWDZBQOSA-N 2 0 336.455 2.204 10 0 EEAERP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000370497591 466902003 /nfs/dbraw/zinc/90/20/03/466902003.db2.gz CTBCSISMCKJLOB-GOSISDBHSA-N 2 0 337.508 2.012 10 0 EEAERP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417728954 466918201 /nfs/dbraw/zinc/91/82/01/466918201.db2.gz BJUMBXVUDHNXOE-HOCLYGCPSA-N 2 0 338.521 2.430 10 0 EEAERP C[NH2+][C@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418050179 467034038 /nfs/dbraw/zinc/03/40/38/467034038.db2.gz ZZJHNOJNGHJYTR-PKOBYXMFSA-N 2 0 330.476 2.044 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418243751 467083083 /nfs/dbraw/zinc/08/30/83/467083083.db2.gz WLEOQGGRQISQDL-KSZLIROESA-N 2 0 336.524 2.138 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418499677 467120291 /nfs/dbraw/zinc/12/02/91/467120291.db2.gz MAZNUNJSHJKARS-JEBQAFNWSA-N 2 0 326.444 2.137 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418565884 467129066 /nfs/dbraw/zinc/12/90/66/467129066.db2.gz ZGIRAHWEPYHXDA-NEWSRXKRSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418587669 467132293 /nfs/dbraw/zinc/13/22/93/467132293.db2.gz GZRSJVQZFQVLPP-KCXAZCMYSA-N 2 0 338.883 2.240 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000418591034 467132907 /nfs/dbraw/zinc/13/29/07/467132907.db2.gz KAPMJOGRVHZEBW-ZIFCJYIRSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418687787 467146190 /nfs/dbraw/zinc/14/61/90/467146190.db2.gz AJYXYHIIWHHZGH-SJORKVTESA-N 2 0 344.503 2.420 10 0 EEAERP COC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102726 467323540 /nfs/dbraw/zinc/32/35/40/467323540.db2.gz LBDBRWJGFOYCOY-IEBWSBKVSA-N 2 0 347.503 2.154 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433904516 467361685 /nfs/dbraw/zinc/36/16/85/467361685.db2.gz SNDFUMBERMEFGA-GOSISDBHSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379808114 467371091 /nfs/dbraw/zinc/37/10/91/467371091.db2.gz OLPGBBKVJQGJLQ-QXAKKESOSA-N 2 0 329.488 2.403 10 0 EEAERP C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000382760522 467379331 /nfs/dbraw/zinc/37/93/31/467379331.db2.gz JESPXNXLDSDLJU-MJGOQNOKSA-N 2 0 329.488 2.499 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420394443 467393611 /nfs/dbraw/zinc/39/36/11/467393611.db2.gz KPAPLBGQDUMREV-QAPCUYQASA-N 2 0 341.455 2.137 10 0 EEAERP COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420403386 467395748 /nfs/dbraw/zinc/39/57/48/467395748.db2.gz RHGHTYAVWPVQPJ-WBVHZDCISA-N 2 0 332.444 2.316 10 0 EEAERP Cc1nccnc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397612984 467443758 /nfs/dbraw/zinc/44/37/58/467443758.db2.gz FUBOEJPNDDBOBD-KRWDZBQOSA-N 2 0 340.471 2.463 10 0 EEAERP FC(F)(F)[C@@H](C[NH2+]CCCCOc1ccccc1)N1CC[NH2+]CC1 ZINC000414996630 467463906 /nfs/dbraw/zinc/46/39/06/467463906.db2.gz XKOHOEFTCSFXNN-MRXNPFEDSA-N 2 0 345.409 2.271 10 0 EEAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404426049 467474468 /nfs/dbraw/zinc/47/44/68/467474468.db2.gz LTTMECRTBZJKQV-YWTNHNAXSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(C)CCC(=O)N2)CC1 ZINC000453424198 467488090 /nfs/dbraw/zinc/48/80/90/467488090.db2.gz NMIRGBDGVMPWEI-UZLBHIALSA-N 2 0 329.488 2.340 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458341196 467811928 /nfs/dbraw/zinc/81/19/28/467811928.db2.gz KVCXKXRQGBLEEU-ZHALLVOQSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000529384481 467855370 /nfs/dbraw/zinc/85/53/70/467855370.db2.gz JDLHNFCOVXVCRG-FZMZJTMJSA-N 2 0 345.274 2.339 10 0 EEAERP COc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000530217507 467964160 /nfs/dbraw/zinc/96/41/60/467964160.db2.gz BXDJSGOTGPKTLI-PXNSSMCTSA-N 2 0 339.439 2.478 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000589768011 468183665 /nfs/dbraw/zinc/18/36/65/468183665.db2.gz XRRBTTLQPNWREV-GOSISDBHSA-N 2 0 332.492 2.374 10 0 EEAERP COCCOc1cc2c(cc1C[NH2+]Cc1ccc(C[NH3+])cc1)OCO2 ZINC000567871072 468227633 /nfs/dbraw/zinc/22/76/33/468227633.db2.gz NDXFOBDRDIJHIA-UHFFFAOYSA-N 2 0 344.411 2.189 10 0 EEAERP C[C@]1(CNC(=O)NC[C@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000570697315 468679485 /nfs/dbraw/zinc/67/94/85/468679485.db2.gz HXYRUNOHBSILLQ-AZUAARDMSA-N 2 0 344.503 2.340 10 0 EEAERP COC(=O)Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169970 469183717 /nfs/dbraw/zinc/18/37/17/469183717.db2.gz MKYDNXXCTYWUFK-RDJZCZTQSA-N 2 0 329.444 2.250 10 0 EEAERP C[NH2+]CCOCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000625850831 469410836 /nfs/dbraw/zinc/41/08/36/469410836.db2.gz SHESKFVONHJGFR-UHFFFAOYSA-N 2 0 348.491 2.073 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000616697079 469480094 /nfs/dbraw/zinc/48/00/94/469480094.db2.gz PMTGIOGJXPAYES-SLFFLAALSA-N 2 0 343.515 2.398 10 0 EEAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCOCC2)c(Cl)c1 ZINC000629389516 469530301 /nfs/dbraw/zinc/53/03/01/469530301.db2.gz ZKTPFVBWOQLDSJ-ZDUSSCGKSA-N 2 0 339.867 2.463 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000629530336 469573231 /nfs/dbraw/zinc/57/32/31/469573231.db2.gz CWEJVKUJBWICOF-IAGOWNOFSA-N 2 0 326.868 2.256 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629660373 469600989 /nfs/dbraw/zinc/60/09/89/469600989.db2.gz SLAONZNEPFEBHV-PKOBYXMFSA-N 2 0 330.520 2.449 10 0 EEAERP C[N@H+](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000630001199 469699456 /nfs/dbraw/zinc/69/94/56/469699456.db2.gz RVKKKZANOMGVJC-UHFFFAOYSA-N 2 0 347.425 2.392 10 0 EEAERP C[C@H]1CCC[C@@](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)([NH+](C)C)C1 ZINC000626945556 469765387 /nfs/dbraw/zinc/76/53/87/469765387.db2.gz KCRHJVASZVWZCX-GDAAHCPNSA-N 2 0 336.524 2.138 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000626993164 469781097 /nfs/dbraw/zinc/78/10/97/469781097.db2.gz CQVGJJYORAUMFS-DSLXNQLJSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193837 469839350 /nfs/dbraw/zinc/83/93/50/469839350.db2.gz QQDYGLCFPGDYAK-WMZOPIPTSA-N 2 0 330.476 2.044 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000624133374 469851076 /nfs/dbraw/zinc/85/10/76/469851076.db2.gz MULZIGAAPWLCLS-NNIGNNQHSA-N 2 0 327.472 2.283 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620909785 469947796 /nfs/dbraw/zinc/94/77/96/469947796.db2.gz KJBNVTMRBYOXST-HZPDHXFCSA-N 2 0 339.524 2.255 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620909786 469947864 /nfs/dbraw/zinc/94/78/64/469947864.db2.gz KJBNVTMRBYOXST-JKSUJKDBSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000621508608 470058759 /nfs/dbraw/zinc/05/87/59/470058759.db2.gz IZZUCZMVGBJWOM-OAHLLOKOSA-N 2 0 348.482 2.335 10 0 EEAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628277750 470085159 /nfs/dbraw/zinc/08/51/59/470085159.db2.gz HDNDSQPOJYKGRD-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CCN(CC)C(=O)C[NH+]1CCC(Nc2nc(C)nc3[nH]ccc32)CC1 ZINC000631316928 470118733 /nfs/dbraw/zinc/11/87/33/470118733.db2.gz RKHISTFTENGDQY-UHFFFAOYSA-N 2 0 344.463 2.011 10 0 EEAERP COCCN(C)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479635 470911304 /nfs/dbraw/zinc/91/13/04/470911304.db2.gz NTSCMQHQWHFXNM-ZWKOTPCHSA-N 2 0 332.492 2.128 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000657573685 471172111 /nfs/dbraw/zinc/17/21/11/471172111.db2.gz OMDRFORDJLFRGZ-ZJOUEHCJSA-N 2 0 346.563 2.369 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000652522684 471304683 /nfs/dbraw/zinc/30/46/83/471304683.db2.gz RXWPJQGPARQVNE-LJQANCHMSA-N 2 0 346.519 2.388 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663416399 471365018 /nfs/dbraw/zinc/36/50/18/471365018.db2.gz PBUBVWFQBFJPJO-MSOLQXFVSA-N 2 0 332.492 2.415 10 0 EEAERP CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000663535269 471415619 /nfs/dbraw/zinc/41/56/19/471415619.db2.gz JWTFFLYQZUQOOA-OAHLLOKOSA-N 2 0 333.476 2.336 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659029377 471474021 /nfs/dbraw/zinc/47/40/21/471474021.db2.gz BPKHNBVACJVPQL-BZSNNMDCSA-N 2 0 344.459 2.096 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C[NH+]1CCCC1 ZINC000659033742 471476884 /nfs/dbraw/zinc/47/68/84/471476884.db2.gz XYFBMHLQLMBVJZ-CRAIPNDOSA-N 2 0 346.475 2.201 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659039079 471480657 /nfs/dbraw/zinc/48/06/57/471480657.db2.gz YZKOJOBWYXZQOQ-ZWKOTPCHSA-N 2 0 346.475 2.151 10 0 EEAERP C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659040688 471484042 /nfs/dbraw/zinc/48/40/42/471484042.db2.gz FXIGZFALJPBRBY-MAUKXSAKSA-N 2 0 346.475 2.201 10 0 EEAERP CN(c1ccccc1CN[C@H](C[NH3+])C(F)(F)F)C1CC[NH+](C)CC1 ZINC000656194072 471630075 /nfs/dbraw/zinc/63/00/75/471630075.db2.gz DSLJZZULWSZGMD-MRXNPFEDSA-N 2 0 344.425 2.196 10 0 EEAERP C[C@@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659479134 471648221 /nfs/dbraw/zinc/64/82/21/471648221.db2.gz HLRBEJJCFXYNET-CRAIPNDOSA-N 2 0 334.508 2.058 10 0 EEAERP C[NH2+]CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659504615 471660656 /nfs/dbraw/zinc/66/06/56/471660656.db2.gz GXTYTCDURSOXMU-SFHVURJKSA-N 2 0 344.503 2.197 10 0 EEAERP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468475 471725549 /nfs/dbraw/zinc/72/55/49/471725549.db2.gz MGNHIGYWZMWAOM-ZWKOTPCHSA-N 2 0 325.460 2.267 10 0 EEAERP Cn1cnc(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000656854893 471865449 /nfs/dbraw/zinc/86/54/49/471865449.db2.gz WUKSYZXPKWXBET-UHFFFAOYSA-N 2 0 328.460 2.227 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1onc2c1CCCC2 ZINC000667812313 471916453 /nfs/dbraw/zinc/91/64/53/471916453.db2.gz JIVGVRJSLNWTSL-HNNXBMFYSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000660273182 471922809 /nfs/dbraw/zinc/92/28/09/471922809.db2.gz WROWTBYYAVABAE-GOSISDBHSA-N 2 0 344.503 2.217 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000660324043 471944140 /nfs/dbraw/zinc/94/41/40/471944140.db2.gz HEUPSXXIUYBQRT-QGZVFWFLSA-N 2 0 332.492 2.420 10 0 EEAERP COc1ccccc1C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCO1 ZINC000662253862 472045176 /nfs/dbraw/zinc/04/51/76/472045176.db2.gz XDEMGGXYPXVNDI-ZWKOTPCHSA-N 2 0 346.471 2.197 10 0 EEAERP c1cc2c(c([C@H]3CCC[N@H+]3C[C@@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255291 472045311 /nfs/dbraw/zinc/04/53/11/472045311.db2.gz BUHMUGNHYKCYEV-GOEBONIOSA-N 2 0 330.428 2.116 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662259588 472046283 /nfs/dbraw/zinc/04/62/83/472046283.db2.gz ZAUCOWYJLYQOIN-MOPGFXCFSA-N 2 0 330.472 2.231 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC2CN(C)C2)CC1 ZINC000668539893 472164703 /nfs/dbraw/zinc/16/47/03/472164703.db2.gz PHURLZGVQPGLHU-UHFFFAOYSA-N 2 0 330.520 2.212 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662725580 472224130 /nfs/dbraw/zinc/22/41/30/472224130.db2.gz CHQKTCUHAKLNTA-UHFFFAOYSA-N 2 0 346.431 2.451 10 0 EEAERP C[NH+](C)CCCOc1cccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000662730362 472226309 /nfs/dbraw/zinc/22/63/09/472226309.db2.gz DYZJSAOSFZAHPW-UHFFFAOYSA-N 2 0 346.431 2.451 10 0 EEAERP O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662797007 472255751 /nfs/dbraw/zinc/25/57/51/472255751.db2.gz UJNVCZMEXDAPIY-UHFFFAOYSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H](C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1cccs1 ZINC000089901289 485487007 /nfs/dbraw/zinc/48/70/07/485487007.db2.gz ZVXMMDHHCLQJGR-CQSZACIVSA-N 2 0 331.489 2.183 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)C1 ZINC000658142056 485571912 /nfs/dbraw/zinc/57/19/12/485571912.db2.gz YLPPFVBMOGXHSH-MSOLQXFVSA-N 2 0 326.444 2.074 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000132273561 529089280 /nfs/dbraw/zinc/08/92/80/529089280.db2.gz VZOUQXSKXAHNEH-NJAFHUGGSA-N 2 0 332.492 2.317 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(C(C)(C)O)C2)CC1 ZINC000459610846 534935348 /nfs/dbraw/zinc/93/53/48/534935348.db2.gz NQBZRINCJZRVDC-UHFFFAOYSA-N 2 0 331.504 2.421 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000266298353 535677784 /nfs/dbraw/zinc/67/77/84/535677784.db2.gz IKQZXXTWKXPCMV-INIZCTEOSA-N 2 0 333.476 2.183 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422701345 536593704 /nfs/dbraw/zinc/59/37/04/536593704.db2.gz BOGLGDYPDNASHD-MRXNPFEDSA-N 2 0 329.554 2.082 10 0 EEAERP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741499136 578120417 /nfs/dbraw/zinc/12/04/17/578120417.db2.gz RAOWIQDTFLXCRI-DZGCQCFKSA-N 2 0 340.562 2.157 10 0 EEAERP CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261791432 681351038 /nfs/dbraw/zinc/35/10/38/681351038.db2.gz ONOVEGRXSHVUSR-UYAOXDASSA-N 2 0 342.487 2.438 10 0 EEAERP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCCCC1 ZINC000914293996 683464735 /nfs/dbraw/zinc/46/47/35/683464735.db2.gz SNWULXFCUMODCW-FUHWJXTLSA-N 2 0 347.507 2.248 10 0 EEAERP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)(F)C(F)(F)F ZINC000895678080 684678725 /nfs/dbraw/zinc/67/87/25/684678725.db2.gz SISMWSNVPLYEGP-LBPRGKRZSA-N 2 0 339.308 2.199 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000897240406 686310448 /nfs/dbraw/zinc/31/04/48/686310448.db2.gz HIJZUXGSVWJGCY-IRXDYDNUSA-N 2 0 326.444 2.488 10 0 EEAERP CC1(C)C[N@H+](CCCCCF)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001485582568 1191848837 /nfs/dbraw/zinc/84/88/37/1191848837.db2.gz RERYDVAVYQZXJC-OAHLLOKOSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001485575408 1191852312 /nfs/dbraw/zinc/85/23/12/1191852312.db2.gz LVAQFYLRLXZMTQ-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nccs1)NC(=O)c1cccc2nccn21 ZINC001485731024 1191921221 /nfs/dbraw/zinc/92/12/21/1191921221.db2.gz WWBQXGYNHLGWKQ-ZDUSSCGKSA-N 2 0 343.456 2.479 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001485812198 1191973426 /nfs/dbraw/zinc/97/34/26/1191973426.db2.gz VIILMBOOVNRFCG-ROUUACIJSA-N 2 0 348.491 2.182 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744888 1177337386 /nfs/dbraw/zinc/33/73/86/1177337386.db2.gz WLBBZNWYYSUKAW-LJQANCHMSA-N 2 0 331.504 2.324 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001266769556 1177388123 /nfs/dbraw/zinc/38/81/23/1177388123.db2.gz BZMYPZVBOQDQAP-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001266865639 1177619477 /nfs/dbraw/zinc/61/94/77/1177619477.db2.gz YHCATUNOWZLVEW-WBVHZDCISA-N 2 0 335.517 2.356 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)s1 ZINC001691165736 1177663235 /nfs/dbraw/zinc/66/32/35/1177663235.db2.gz FHQCWARWUYOENL-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267020685 1178104074 /nfs/dbraw/zinc/10/40/74/1178104074.db2.gz JZQJUOLXQSRVOO-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001267026629 1178115623 /nfs/dbraw/zinc/11/56/23/1178115623.db2.gz KZEHLPWYMGWKGO-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccns1)[NH+](C)C ZINC001267173619 1178406323 /nfs/dbraw/zinc/40/63/23/1178406323.db2.gz BDMADPDSAUWLAY-ZBFHGGJFSA-N 2 0 338.521 2.344 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001267278397 1178663594 /nfs/dbraw/zinc/66/35/94/1178663594.db2.gz JLFCRMZMEAQMHZ-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267439339 1179012143 /nfs/dbraw/zinc/01/21/43/1179012143.db2.gz CYPUMSDKHQGANT-RDJZCZTQSA-N 2 0 335.517 2.356 10 0 EEAERP Cc1cncc(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001481103360 1179744470 /nfs/dbraw/zinc/74/44/70/1179744470.db2.gz TVWBNCFDFAESLQ-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001267776823 1180507137 /nfs/dbraw/zinc/50/71/37/1180507137.db2.gz GGRHFVWKUURGDX-UONOGXRCSA-N 2 0 335.414 2.203 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001481317641 1181017025 /nfs/dbraw/zinc/01/70/25/1181017025.db2.gz JFUNGQSJHIXGDC-ROUUACIJSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1ccncc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001481358106 1181116276 /nfs/dbraw/zinc/11/62/76/1181116276.db2.gz MNEBHGDYIRBZCY-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001481445881 1181363886 /nfs/dbraw/zinc/36/38/86/1181363886.db2.gz BOYLNTGCFXXWLT-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001481507648 1181591884 /nfs/dbraw/zinc/59/18/84/1181591884.db2.gz CZCHOXQGYQJTCY-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001268413864 1182565942 /nfs/dbraw/zinc/56/59/42/1182565942.db2.gz IUWPUJNRSDCKAS-BEFAXECRSA-N 2 0 331.504 2.500 10 0 EEAERP Cc1ncc(C[NH2+]C[C@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@@H]2C)o1 ZINC001481964762 1183054890 /nfs/dbraw/zinc/05/48/90/1183054890.db2.gz SQFGITOJUOGUTC-HNAYVOBHSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1ncccc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001482002788 1183119784 /nfs/dbraw/zinc/11/97/84/1183119784.db2.gz CNJCTTITUOKIJB-LJQANCHMSA-N 2 0 344.503 2.203 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001482023671 1183153185 /nfs/dbraw/zinc/15/31/85/1183153185.db2.gz YOIFGZMHEWIYSQ-BZSNNMDCSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001482042001 1183212262 /nfs/dbraw/zinc/21/22/62/1183212262.db2.gz APYSPZIMYQPDKC-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001268557612 1183249462 /nfs/dbraw/zinc/24/94/62/1183249462.db2.gz FPIWDLRWRVSGJZ-IHWYPQMZSA-N 2 0 341.440 2.175 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)c1C ZINC001268835594 1183752990 /nfs/dbraw/zinc/75/29/90/1183752990.db2.gz IQZGAAQUPKUGTB-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001269069803 1183934076 /nfs/dbraw/zinc/93/40/76/1183934076.db2.gz VUXWQIPMBVWDEN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001269191944 1184047818 /nfs/dbraw/zinc/04/78/18/1184047818.db2.gz FWBWPRWWWIXMKH-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001269268174 1184119734 /nfs/dbraw/zinc/11/97/34/1184119734.db2.gz IISXWQJLDAMMMP-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001269509650 1184338677 /nfs/dbraw/zinc/33/86/77/1184338677.db2.gz LDQSAMDNUPROJZ-SJLPKXTDSA-N 2 0 335.467 2.194 10 0 EEAERP O=C(NC1(C[NH2+]CCCF)CCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001269558740 1184388431 /nfs/dbraw/zinc/38/84/31/1184388431.db2.gz GDOSODCWGVYBAI-HZPDHXFCSA-N 2 0 325.472 2.382 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)oc1C ZINC001269709939 1184539162 /nfs/dbraw/zinc/53/91/62/1184539162.db2.gz BGAIFIARPMFXOL-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001269766448 1184604364 /nfs/dbraw/zinc/60/43/64/1184604364.db2.gz VIRLMXCYPYJDIO-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001269997911 1184772314 /nfs/dbraw/zinc/77/23/14/1184772314.db2.gz RSILVWROJJILFL-XLAORIBOSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)s1 ZINC001270174933 1184898920 /nfs/dbraw/zinc/89/89/20/1184898920.db2.gz UTYRTUIPVCLOPL-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCOC1CCCCCC1 ZINC001270372409 1185056592 /nfs/dbraw/zinc/05/65/92/1185056592.db2.gz SYRJDFVDADCDLJ-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1scnc1C ZINC001482291788 1185124493 /nfs/dbraw/zinc/12/44/93/1185124493.db2.gz HYVBUFVMGBDMJJ-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001270595804 1185192779 /nfs/dbraw/zinc/19/27/79/1185192779.db2.gz QDOQFRANIHVFBQ-LPHOPBHVSA-N 2 0 331.504 2.085 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001482368946 1185531699 /nfs/dbraw/zinc/53/16/99/1185531699.db2.gz JVTGIKZKUPIHBL-MRXNPFEDSA-N 2 0 349.523 2.275 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1 ZINC001482454675 1185866940 /nfs/dbraw/zinc/86/69/40/1185866940.db2.gz IZCDLAUVWBAZAQ-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482485512 1186206616 /nfs/dbraw/zinc/20/66/16/1186206616.db2.gz VJRODWXTQGPSLZ-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271674355 1186366737 /nfs/dbraw/zinc/36/67/37/1186366737.db2.gz XJQOGNVLLDFAGG-IRXDYDNUSA-N 2 0 341.540 2.073 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271686069 1186371220 /nfs/dbraw/zinc/37/12/20/1186371220.db2.gz WHKKIAJOMHRCRW-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc2ccccc2o1 ZINC001482518844 1186444683 /nfs/dbraw/zinc/44/46/83/1186444683.db2.gz SGIXBZYCTAHHGB-HOTGVXAUSA-N 2 0 344.459 2.152 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C23CC[NH+](CC2)C3)C(C)C)cs1 ZINC001482564448 1186845835 /nfs/dbraw/zinc/84/58/35/1186845835.db2.gz DBNSGBWSHYVGKM-INIZCTEOSA-N 2 0 335.517 2.383 10 0 EEAERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1nc(C)cs1)C(C)C)[NH+](C)C ZINC001482565454 1186851706 /nfs/dbraw/zinc/85/17/06/1186851706.db2.gz LRXDWBZCQQUUSZ-UONOGXRCSA-N 2 0 326.510 2.022 10 0 EEAERP Cc1ccccc1CCC[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642720 1187474347 /nfs/dbraw/zinc/47/43/47/1187474347.db2.gz QSHQEPDSMDBIIO-UHFFFAOYSA-N 2 0 343.515 2.414 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967743 1187905461 /nfs/dbraw/zinc/90/54/61/1187905461.db2.gz XVKVDXGMWCYPOI-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CCc1nc(C)c(C[NH2+]CC2CC(NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001409264285 1188234433 /nfs/dbraw/zinc/23/44/33/1188234433.db2.gz HHODSHLZULYQML-UHFFFAOYSA-N 2 0 348.491 2.014 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC001483050738 1188294517 /nfs/dbraw/zinc/29/45/17/1188294517.db2.gz KIQRJDVPLAGGEL-XFCCUVRLSA-N 2 0 333.451 2.318 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCOC2)c1 ZINC001483097672 1188472914 /nfs/dbraw/zinc/47/29/14/1188472914.db2.gz LAHPFRJQSYEGHB-WHLIDYPQSA-N 2 0 345.487 2.050 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[N@H+](C)C1CCC1 ZINC001272828563 1193566118 /nfs/dbraw/zinc/56/61/18/1193566118.db2.gz BVIQFOATKCZIKN-OAHLLOKOSA-N 2 0 345.487 2.186 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691628710 1188775359 /nfs/dbraw/zinc/77/53/59/1188775359.db2.gz AYTXGFFNJZXZKD-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483167405 1189003706 /nfs/dbraw/zinc/00/37/06/1189003706.db2.gz ZXBPVDKYCLEWPN-HZPDHXFCSA-N 2 0 335.467 2.194 10 0 EEAERP COc1cccc(C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C)c1C ZINC001496845004 1189013280 /nfs/dbraw/zinc/01/32/80/1189013280.db2.gz LHTJIRLNNTXNIG-UHFFFAOYSA-N 2 0 335.492 2.234 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1F)NC(=O)C[NH+]1CCCC1 ZINC001483194878 1189078135 /nfs/dbraw/zinc/07/81/35/1189078135.db2.gz PMSCRXHPRIKWGW-OLZOCXBDSA-N 2 0 325.403 2.216 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483193062 1189079027 /nfs/dbraw/zinc/07/90/27/1189079027.db2.gz PWAJDENGKVDJND-TZMCWYRMSA-N 2 0 343.393 2.251 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CC[NH+]1CCCCC1 ZINC001483198221 1189086147 /nfs/dbraw/zinc/08/61/47/1189086147.db2.gz NOBSZDMYZGMBNE-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001483228319 1189540811 /nfs/dbraw/zinc/54/08/11/1189540811.db2.gz FJCJVBFULOQYGR-HNAYVOBHSA-N 2 0 329.488 2.185 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cncc(C)c2)C1 ZINC001485914345 1193638524 /nfs/dbraw/zinc/63/85/24/1193638524.db2.gz YHRCTBAZWGAGPD-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CCOCC1 ZINC001409651518 1190150990 /nfs/dbraw/zinc/15/09/90/1190150990.db2.gz WZUVOZBZNKGYIQ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1cc2ccccc2o1 ZINC001409651301 1190151027 /nfs/dbraw/zinc/15/10/27/1190151027.db2.gz SDVAQUXPVZZHRY-HNNXBMFYSA-N 2 0 341.455 2.465 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001483258803 1190284701 /nfs/dbraw/zinc/28/47/01/1190284701.db2.gz VTEMHLAFBHGLOU-LPHOPBHVSA-N 2 0 346.519 2.415 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001483407338 1190453311 /nfs/dbraw/zinc/45/33/11/1190453311.db2.gz LMLKYEYHSUSCAA-OAHLLOKOSA-N 2 0 333.451 2.166 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001486085355 1193677341 /nfs/dbraw/zinc/67/73/41/1193677341.db2.gz QSFUTJDUEQHGAW-DOTOQJQBSA-N 2 0 333.476 2.034 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)s1 ZINC001483409108 1190455522 /nfs/dbraw/zinc/45/55/22/1190455522.db2.gz RFUQVUCCDANPPA-DOMZBBRYSA-N 2 0 338.521 2.038 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001486090456 1193678650 /nfs/dbraw/zinc/67/86/50/1193678650.db2.gz KNAODBLEUASLSY-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@H]1C ZINC001486091450 1193678827 /nfs/dbraw/zinc/67/88/27/1193678827.db2.gz IKBXKCFDCWDUJR-HUUCEWRRSA-N 2 0 344.459 2.249 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001483437897 1190479330 /nfs/dbraw/zinc/47/93/30/1190479330.db2.gz QSOWRRNBPJRMBT-CVEARBPZSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001483466293 1190489973 /nfs/dbraw/zinc/48/99/73/1190489973.db2.gz FGECSAOMMLSSJL-CRAIPNDOSA-N 2 0 335.467 2.434 10 0 EEAERP CN(CCC[NH2+]Cc1ccncc1Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001483488577 1190508198 /nfs/dbraw/zinc/50/81/98/1190508198.db2.gz UJJOEYGEUHCGHY-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC001483496131 1190512713 /nfs/dbraw/zinc/51/27/13/1190512713.db2.gz RRGQEJQZWUSVLM-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)o1 ZINC001409776204 1190516403 /nfs/dbraw/zinc/51/64/03/1190516403.db2.gz PKYGLWDHDIHPBM-HOTGVXAUSA-N 2 0 336.480 2.040 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001483504263 1190518198 /nfs/dbraw/zinc/51/81/98/1190518198.db2.gz LILDSCCEAHTSRZ-GOSISDBHSA-N 2 0 347.503 2.284 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC001483586950 1190573128 /nfs/dbraw/zinc/57/31/28/1190573128.db2.gz XHMKWOAYFJDLEC-ZDUSSCGKSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001483587249 1190573560 /nfs/dbraw/zinc/57/35/60/1190573560.db2.gz BMVYDSXCTKGFFE-LIRRHRJNSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)s1 ZINC001483775077 1191018258 /nfs/dbraw/zinc/01/82/58/1191018258.db2.gz MJOFETWJITWENZ-HOCLYGCPSA-N 2 0 348.516 2.207 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001484122689 1191222221 /nfs/dbraw/zinc/22/22/21/1191222221.db2.gz UIPVFRIIJUUHAF-DOMZBBRYSA-N 2 0 336.307 2.474 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CCCF)C2)CC[N@@H+]1C ZINC001484160253 1191248460 /nfs/dbraw/zinc/24/84/60/1191248460.db2.gz DDGMNVXWDAEKLQ-JZXOWHBKSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1)[NH+](C)C ZINC001484390788 1191325611 /nfs/dbraw/zinc/32/56/11/1191325611.db2.gz UIFYQVBDBYABOE-QXCFHYIPSA-N 2 0 344.503 2.281 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)c1ccccc1 ZINC001484501803 1191385883 /nfs/dbraw/zinc/38/58/83/1191385883.db2.gz JRKUMVAINBUFAN-PKOBYXMFSA-N 2 0 347.503 2.033 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484567145 1191420719 /nfs/dbraw/zinc/42/07/19/1191420719.db2.gz FAMWUXGAMQGMEK-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@H](C)F)CC2 ZINC001484582098 1191426442 /nfs/dbraw/zinc/42/64/42/1191426442.db2.gz SRLREQQONLDURP-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001484618037 1191443857 /nfs/dbraw/zinc/44/38/57/1191443857.db2.gz WPWUDCGTZNWJRO-CQSZACIVSA-N 2 0 335.414 2.251 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nccn1C)[NH+](CC)CC ZINC001484618394 1191444245 /nfs/dbraw/zinc/44/42/45/1191444245.db2.gz QOEMETCCWGQAEN-SJORKVTESA-N 2 0 349.523 2.011 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCCC(F)(F)F)CCC1 ZINC001484646349 1191452694 /nfs/dbraw/zinc/45/26/94/1191452694.db2.gz LFUQXSORYVKXGQ-CYBMUJFWSA-N 2 0 335.414 2.442 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001484690698 1191468179 /nfs/dbraw/zinc/46/81/79/1191468179.db2.gz QRRUSLZKIFARGX-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484819366 1191539436 /nfs/dbraw/zinc/53/94/36/1191539436.db2.gz NDHKVPLEJWYIQZ-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC001484898458 1191568332 /nfs/dbraw/zinc/56/83/32/1191568332.db2.gz XBWRATSTPRIBSU-QAPCUYQASA-N 2 0 340.471 2.123 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@H]1CCCCO1 ZINC001485077043 1191645186 /nfs/dbraw/zinc/64/51/86/1191645186.db2.gz XRFDYKGQMJUOOE-DLBZAZTESA-N 2 0 348.491 2.143 10 0 EEAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001485100408 1191652013 /nfs/dbraw/zinc/65/20/13/1191652013.db2.gz DHNWAGPJSQSIFP-UHFFFAOYSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147775 1191665580 /nfs/dbraw/zinc/66/55/80/1191665580.db2.gz QOTVCYKEGPGSLO-GJZGRUSLSA-N 2 0 347.507 2.032 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201991 1191683901 /nfs/dbraw/zinc/68/39/01/1191683901.db2.gz ZHHBTGLERYETMV-OLZOCXBDSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@H+](C)CCC(C)(C)C ZINC001485321647 1191734290 /nfs/dbraw/zinc/73/42/90/1191734290.db2.gz YAVCAZYZRVDVNW-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001485347316 1191749275 /nfs/dbraw/zinc/74/92/75/1191749275.db2.gz HEAAMPCMUWVOND-QWHCGFSZSA-N 2 0 327.419 2.414 10 0 EEAERP Cc1nsc(C)c1CN(C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001485347838 1191749326 /nfs/dbraw/zinc/74/93/26/1191749326.db2.gz OHXFXDNNAIOSRZ-LBPRGKRZSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1ncoc1C[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1ccnc1C ZINC001485486268 1191815288 /nfs/dbraw/zinc/81/52/88/1191815288.db2.gz XPKMMVALPRIICY-MRXNPFEDSA-N 2 0 345.447 2.049 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001486250472 1193776882 /nfs/dbraw/zinc/77/68/82/1193776882.db2.gz QZXYNZDUJFLBRF-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(CN(C)CCN(C(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001486379563 1193890859 /nfs/dbraw/zinc/89/08/59/1193890859.db2.gz LGFYJRJINYYPNM-UHFFFAOYSA-N 2 0 332.492 2.155 10 0 EEAERP CC(C)[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001486451709 1193967092 /nfs/dbraw/zinc/96/70/92/1193967092.db2.gz ASPQIVNVABYBAE-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC([NH2+]CCCF)C1 ZINC001486476806 1193990167 /nfs/dbraw/zinc/99/01/67/1193990167.db2.gz ONOZYVPUGYGIFC-KVULBXGLSA-N 2 0 331.451 2.138 10 0 EEAERP C[C@@H](CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCOC2)CC1)n1ccnc1 ZINC001486516188 1194021474 /nfs/dbraw/zinc/02/14/74/1194021474.db2.gz BTOMUMPHXCMNGI-FUHWJXTLSA-N 2 0 346.475 2.009 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001486510089 1194027602 /nfs/dbraw/zinc/02/76/02/1194027602.db2.gz SRKCMIYAVCPHDH-VJFUWPCTSA-N 2 0 339.499 2.461 10 0 EEAERP C[C@@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)O1 ZINC001486512654 1194031810 /nfs/dbraw/zinc/03/18/10/1194031810.db2.gz IPOHYQHHIPDTQK-SJLPKXTDSA-N 2 0 349.519 2.177 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001272993035 1194301299 /nfs/dbraw/zinc/30/12/99/1194301299.db2.gz HAMSSUDXXYUMQC-NSHDSACASA-N 2 0 344.912 2.123 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001273053102 1194358022 /nfs/dbraw/zinc/35/80/22/1194358022.db2.gz TXXPKNJIQHSUGE-RHSMWYFYSA-N 2 0 336.480 2.230 10 0 EEAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001410093059 1197546754 /nfs/dbraw/zinc/54/67/54/1197546754.db2.gz ABBRLLXQYQCRTH-NNZMDNLPSA-N 2 0 335.536 2.449 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001410308634 1197670630 /nfs/dbraw/zinc/67/06/30/1197670630.db2.gz HSECPBPTZORFHA-IRXDYDNUSA-N 2 0 339.499 2.437 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001410395195 1197796421 /nfs/dbraw/zinc/79/64/21/1197796421.db2.gz XPXTXNFXVONJHZ-KBXCAEBGSA-N 2 0 348.491 2.327 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001410439491 1197900552 /nfs/dbraw/zinc/90/05/52/1197900552.db2.gz RGWYTVKGRPPUEX-NVXWUHKLSA-N 2 0 347.503 2.282 10 0 EEAERP [NH3+]C[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000872150623 1198059434 /nfs/dbraw/zinc/05/94/34/1198059434.db2.gz GCYUSSMJCBBLCB-KBPBESRZSA-N 2 0 335.414 2.142 10 0 EEAERP CC[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254611 1198114180 /nfs/dbraw/zinc/11/41/80/1198114180.db2.gz ARPHQKLLPZAXEO-OWLYRPNTSA-N 2 0 329.444 2.047 10 0 EEAERP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000865411467 1198202640 /nfs/dbraw/zinc/20/26/40/1198202640.db2.gz DKTDMROAVPLBTH-XVTSOASTSA-N 2 0 335.492 2.460 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC001410849918 1198500118 /nfs/dbraw/zinc/50/01/18/1198500118.db2.gz LNSRZOFYTRYXMY-WBVHZDCISA-N 2 0 349.523 2.057 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@@H]1C ZINC001410864181 1198514688 /nfs/dbraw/zinc/51/46/88/1198514688.db2.gz QGHZZIMMQPNICU-FUHWJXTLSA-N 2 0 346.519 2.172 10 0 EEAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H]1CCO[C@H](C)C1 ZINC001493001037 1199217023 /nfs/dbraw/zinc/21/70/23/1199217023.db2.gz IWGIZFABOGERPO-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC000810677235 1199657764 /nfs/dbraw/zinc/65/77/64/1199657764.db2.gz IXJNLMZTPMTYAZ-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccccc1C[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016389 1200408303 /nfs/dbraw/zinc/40/83/03/1200408303.db2.gz MVJNKHMXHIRLEE-MISYRCLQSA-N 2 0 345.531 2.371 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(F)ccc32)C[C@H]1C[NH+](C)C ZINC000870017654 1200409791 /nfs/dbraw/zinc/40/97/91/1200409791.db2.gz PZGJVBGWBJPRSK-GPMSIDNRSA-N 2 0 347.478 2.053 10 0 EEAERP CCC[N@H+](C)CC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870182682 1200538875 /nfs/dbraw/zinc/53/88/75/1200538875.db2.gz HRXIUCDIQDAILN-UHFFFAOYSA-N 2 0 329.488 2.334 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000870956393 1200976447 /nfs/dbraw/zinc/97/64/47/1200976447.db2.gz UJIIFIFGGCOPRY-KBPBESRZSA-N 2 0 340.265 2.049 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cs1 ZINC001672853559 1201017598 /nfs/dbraw/zinc/01/75/98/1201017598.db2.gz RTVYSUYTZHXMJN-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000866413569 1201511203 /nfs/dbraw/zinc/51/12/03/1201511203.db2.gz IBCDFOHUOVSODS-AEFFLSMTSA-N 2 0 349.519 2.123 10 0 EEAERP C[NH2+]Cc1ccc(NC(=O)N(CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000868166040 1201756511 /nfs/dbraw/zinc/75/65/11/1201756511.db2.gz AVQRMOTXWCUETB-UHFFFAOYSA-N 2 0 348.491 2.228 10 0 EEAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186379 1201759857 /nfs/dbraw/zinc/75/98/57/1201759857.db2.gz RKZIODUGLADZLV-OKZBNKHCSA-N 2 0 346.475 2.076 10 0 EEAERP CC[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000882393752 1201865090 /nfs/dbraw/zinc/86/50/90/1201865090.db2.gz GEQVHNLXEOTMPN-ZWKOTPCHSA-N 2 0 330.476 2.250 10 0 EEAERP O=C(CCc1c[nH]cn1)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274083051 1204362167 /nfs/dbraw/zinc/36/21/67/1204362167.db2.gz XQRDFGLISHFHJQ-LPQSXRFUSA-N 2 0 342.418 2.431 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CCc2ccccc2Cl)C1 ZINC001274368000 1205011391 /nfs/dbraw/zinc/01/13/91/1205011391.db2.gz ILHJOTCAVZUACE-DWTRPJMMSA-N 2 0 349.906 2.486 10 0 EEAERP Cc1ccc(CCC[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001274578683 1205086147 /nfs/dbraw/zinc/08/61/47/1205086147.db2.gz MEPZFFJGADGZOI-ZRHASKPBSA-N 2 0 329.488 2.141 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274920531 1205210395 /nfs/dbraw/zinc/21/03/95/1205210395.db2.gz ZQAQDNSLGPHODF-IAGOWNOFSA-N 2 0 331.504 2.228 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001275054430 1205245628 /nfs/dbraw/zinc/24/56/28/1205245628.db2.gz SIABLTZCKLXAFZ-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCc1ccccc1 ZINC001275542696 1205402980 /nfs/dbraw/zinc/40/29/80/1205402980.db2.gz VUQAELWADBCJMC-DLBZAZTESA-N 2 0 329.488 2.198 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275837055 1205557704 /nfs/dbraw/zinc/55/77/04/1205557704.db2.gz ZVCWZUGSYMOCQN-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275914901 1205583789 /nfs/dbraw/zinc/58/37/89/1205583789.db2.gz GOFSPWWTEJXBCQ-ZWKOTPCHSA-N 2 0 333.451 2.345 10 0 EEAERP CN(CCC[NH2+]Cc1cc(C(C)(C)C)on1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275916641 1205584180 /nfs/dbraw/zinc/58/41/80/1205584180.db2.gz ZCZLULKSPVUYAD-OAHLLOKOSA-N 2 0 336.480 2.004 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001276057822 1205755751 /nfs/dbraw/zinc/75/57/51/1205755751.db2.gz GAYNVHUWTSQEDZ-INIZCTEOSA-N 2 0 340.537 2.284 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001490826295 1205886119 /nfs/dbraw/zinc/88/61/19/1205886119.db2.gz KJTSRQGKSSVDKE-HNNXBMFYSA-N 2 0 339.505 2.039 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)C(C)(C)CO)cc2)CC1 ZINC000924693431 1206019203 /nfs/dbraw/zinc/01/92/03/1206019203.db2.gz ZEGVGMCHMIQULW-KRWDZBQOSA-N 2 0 333.520 2.321 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326831 1206097882 /nfs/dbraw/zinc/09/78/82/1206097882.db2.gz NHIZITZWEFZXGI-YQVWRLOYSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2NC(=O)NC[C@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925396697 1206106806 /nfs/dbraw/zinc/10/68/06/1206106806.db2.gz BRTJEDSFNAVNRQ-HLLBOEOZSA-N 2 0 346.475 2.121 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925501837 1206120363 /nfs/dbraw/zinc/12/03/63/1206120363.db2.gz DXMFLUPOPGTKSF-SLFFLAALSA-N 2 0 348.487 2.495 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583988 1206132080 /nfs/dbraw/zinc/13/20/80/1206132080.db2.gz ONQDHTIKRODTES-MSOLQXFVSA-N 2 0 348.922 2.322 10 0 EEAERP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925595087 1206133588 /nfs/dbraw/zinc/13/35/88/1206133588.db2.gz FUGSJHCRCDVZHE-OALUTQOASA-N 2 0 329.488 2.483 10 0 EEAERP Brc1cnn(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925671328 1206142053 /nfs/dbraw/zinc/14/20/53/1206142053.db2.gz PFQCNSWFQDFDSR-LSDHHAIUSA-N 2 0 341.297 2.404 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000925735631 1206147633 /nfs/dbraw/zinc/14/76/33/1206147633.db2.gz HRSWWPTZLDGGOK-WMLDXEAASA-N 2 0 333.476 2.475 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000925808202 1206156159 /nfs/dbraw/zinc/15/61/59/1206156159.db2.gz AWRULADTOPSSIP-YLJYHZDGSA-N 2 0 330.520 2.052 10 0 EEAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809235 1206156217 /nfs/dbraw/zinc/15/62/17/1206156217.db2.gz COAIQWRCLSAXOH-GHTZIAJQSA-N 3 0 344.547 2.492 10 0 EEAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1OC ZINC000925810303 1206156598 /nfs/dbraw/zinc/15/65/98/1206156598.db2.gz DUJKVQSMYKMWHD-HUUCEWRRSA-N 2 0 335.492 2.209 10 0 EEAERP CCc1noc(C2CCC([NH2+]CCCCCN3CC[NH2+]CC3)CC2)n1 ZINC000925846695 1206159777 /nfs/dbraw/zinc/15/97/77/1206159777.db2.gz XSNJXWWWMYTSRK-UHFFFAOYSA-N 2 0 349.523 2.323 10 0 EEAERP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850691 1206160466 /nfs/dbraw/zinc/16/04/66/1206160466.db2.gz PEWRUDNIVXVCPX-WMLDXEAASA-N 2 0 344.455 2.348 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC12CC[NH2+]CC2 ZINC000925853644 1206161524 /nfs/dbraw/zinc/16/15/24/1206161524.db2.gz QDMAUMJASFFZOP-BLLLJJGKSA-N 2 0 336.382 2.227 10 0 EEAERP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858692 1206162069 /nfs/dbraw/zinc/16/20/69/1206162069.db2.gz ZHPHTBQLLHHTLQ-WMLDXEAASA-N 2 0 334.435 2.422 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[C@@H]1C ZINC000925905988 1206166243 /nfs/dbraw/zinc/16/62/43/1206166243.db2.gz MXDPCOSZTWIGRC-XYJFISCASA-N 2 0 347.507 2.199 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N(CC[NH2+]C)C(C)C)cc2)CC1 ZINC000925913309 1206167355 /nfs/dbraw/zinc/16/73/55/1206167355.db2.gz VRJMIRAQGIGGTG-UHFFFAOYSA-N 2 0 347.507 2.290 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1cccnc1 ZINC000925917920 1206168161 /nfs/dbraw/zinc/16/81/61/1206168161.db2.gz ZERNYIMMEIIYKS-QGZVFWFLSA-N 2 0 347.507 2.248 10 0 EEAERP Cc1ccc(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000926043062 1206185322 /nfs/dbraw/zinc/18/53/22/1206185322.db2.gz QQCNEUGWCQKILO-CVEARBPZSA-N 2 0 348.491 2.384 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CC[C@H](O)c1ccccc1)C2 ZINC000930602748 1206569908 /nfs/dbraw/zinc/56/99/08/1206569908.db2.gz ZIYBIORJRLGPNI-SLFFLAALSA-N 2 0 332.488 2.279 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4C[C@@H]5COC[C@H]5O4)C[C@H]3C2)cc1 ZINC000931747614 1207455268 /nfs/dbraw/zinc/45/52/68/1207455268.db2.gz TZBVMALYUFLHPH-XIYVOTBMSA-N 2 0 342.483 2.244 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CO[C@H]1C ZINC000717927321 1211594131 /nfs/dbraw/zinc/59/41/31/1211594131.db2.gz QPCVUXSDYDIUGV-LNLFQRSKSA-N 2 0 332.488 2.417 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903078533 1239680008 /nfs/dbraw/zinc/68/00/08/1239680008.db2.gz IJTWDXLARLGVKW-VQTJNVASSA-N 2 0 330.472 2.436 10 0 EEAERP [NH3+]CCCCCCC[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000903576984 1241003238 /nfs/dbraw/zinc/00/32/38/1241003238.db2.gz BTWKKRXZUXVQOI-UHFFFAOYSA-N 2 0 331.464 2.300 10 0 EEAERP C[C@@H](CCCc1cccnc1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903929038 1242537918 /nfs/dbraw/zinc/53/79/18/1242537918.db2.gz ADFYSFUWIUXOPF-DOTOQJQBSA-N 2 0 328.464 2.099 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000903948563 1242666697 /nfs/dbraw/zinc/66/66/97/1242666697.db2.gz RGFWTEKWISIZHZ-MSOLQXFVSA-N 2 0 347.507 2.231 10 0 EEAERP C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)COC(=O)N1 ZINC000903986438 1242880595 /nfs/dbraw/zinc/88/05/95/1242880595.db2.gz JQZSELOOPMERDU-CXAGYDPISA-N 2 0 335.473 2.104 10 0 EEAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC001490975280 1258523744 /nfs/dbraw/zinc/52/37/44/1258523744.db2.gz IWSUWGFCXZOLRC-HNSVSWJLSA-N 2 0 343.462 2.485 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001491030426 1258587567 /nfs/dbraw/zinc/58/75/67/1258587567.db2.gz VLUBFJWMHKUKTQ-XDNAFOTISA-N 2 0 337.508 2.057 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001491083886 1258650257 /nfs/dbraw/zinc/65/02/57/1258650257.db2.gz XWTYMGCWIIGXIJ-SCTDSRPQSA-N 2 0 345.487 2.177 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491225047 1258808707 /nfs/dbraw/zinc/80/87/07/1258808707.db2.gz LRHGIAKYMIYLMY-GOSISDBHSA-N 2 0 349.523 2.195 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001491231088 1258833843 /nfs/dbraw/zinc/83/38/43/1258833843.db2.gz RDFINLINFDKNJL-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)c1F ZINC001491456344 1259098970 /nfs/dbraw/zinc/09/89/70/1259098970.db2.gz GUBPMNKKSNTGHZ-YRGRVCCFSA-N 2 0 341.858 2.414 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001491476700 1259126962 /nfs/dbraw/zinc/12/69/62/1259126962.db2.gz BJCOTDRXCKHFDC-ACJLOTCBSA-N 2 0 348.491 2.293 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001280631536 1278523004 /nfs/dbraw/zinc/52/30/04/1278523004.db2.gz YWFPXKQNKLNUSM-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(F)c1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001273576781 1280183772 /nfs/dbraw/zinc/18/37/72/1280183772.db2.gz VTHVUUSZRGVBAX-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)CC[NH+]1CCCCC1 ZINC001273765306 1285121367 /nfs/dbraw/zinc/12/13/67/1285121367.db2.gz MZJIMKGPPAIIFQ-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001488795081 1290238123 /nfs/dbraw/zinc/23/81/23/1290238123.db2.gz ZTFBQOMBXAKSRX-CALCHBBNSA-N 2 0 335.517 2.261 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001489337544 1290520943 /nfs/dbraw/zinc/52/09/43/1290520943.db2.gz NXKOJKDQOZRFTK-AWEZNQCLSA-N 2 0 338.521 2.258 10 0 EEAERP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001490424631 1291336429 /nfs/dbraw/zinc/33/64/29/1291336429.db2.gz FZJYYDBAADXTKA-SJLPKXTDSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740822 1291655021 /nfs/dbraw/zinc/65/50/21/1291655021.db2.gz GWOWTHOCHWZVIH-MSOLQXFVSA-N 2 0 348.491 2.088 10 0 EEAERP COC(CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000851802237 1291844744 /nfs/dbraw/zinc/84/47/44/1291844744.db2.gz GANDRWHVAQPUET-UHFFFAOYSA-N 2 0 341.540 2.124 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCCOC3)C2)ccn1 ZINC000856553875 1293564078 /nfs/dbraw/zinc/56/40/78/1293564078.db2.gz YGYIKOJXQGBSPL-QFBILLFUSA-N 2 0 333.476 2.413 10 0 EEAERP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000859274445 1294371002 /nfs/dbraw/zinc/37/10/02/1294371002.db2.gz QJTJWTUZZWVKTG-LPHOPBHVSA-N 2 0 333.476 2.077 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000863210093 1296151129 /nfs/dbraw/zinc/15/11/29/1296151129.db2.gz LUAYAKPWMSEGSF-INIZCTEOSA-N 2 0 340.581 2.445 10 0 EEAERP CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC=CC1 ZINC000931253975 1297125644 /nfs/dbraw/zinc/12/56/44/1297125644.db2.gz DNXAWTYSKZKSMQ-UHFFFAOYSA-N 2 0 328.460 2.066 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001278276499 1308949669 /nfs/dbraw/zinc/94/96/69/1308949669.db2.gz WGXLERWHSNLHBE-DLBZAZTESA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001278500081 1310848465 /nfs/dbraw/zinc/84/84/65/1310848465.db2.gz YJMPQRHHPGUUIF-GOSISDBHSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841752061 1315608211 /nfs/dbraw/zinc/60/82/11/1315608211.db2.gz FMRVJBGLVIWQHN-YJBOKZPZSA-N 2 0 336.524 2.328 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1(O)CCCCC1 ZINC000843096033 1315840703 /nfs/dbraw/zinc/84/07/03/1315840703.db2.gz QNXRWKIUTKXJQW-IBGZPJMESA-N 2 0 332.488 2.428 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001278572366 1317259895 /nfs/dbraw/zinc/25/98/95/1317259895.db2.gz QCBRJEHLEPJYEX-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001279039407 1319064989 /nfs/dbraw/zinc/06/49/89/1319064989.db2.gz VOLQYQIAPREBHV-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)on1 ZINC001263957801 1322569946 /nfs/dbraw/zinc/56/99/46/1322569946.db2.gz JAPZJEFGSRUAJP-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001264438964 1322702495 /nfs/dbraw/zinc/70/24/95/1322702495.db2.gz HDAAJKIPGGKWMO-HDJSIYSDSA-N 2 0 335.414 2.299 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001264477642 1322707866 /nfs/dbraw/zinc/70/78/66/1322707866.db2.gz OLOYCABYKQMWLA-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001264567249 1322733958 /nfs/dbraw/zinc/73/39/58/1322733958.db2.gz ZSHXWUSHRVZLOA-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001264986418 1322834085 /nfs/dbraw/zinc/83/40/85/1322834085.db2.gz KPOBPDRVMNCEGA-IBGZPJMESA-N 2 0 329.488 2.275 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1coc(C2CC2)n1 ZINC001264986373 1322834676 /nfs/dbraw/zinc/83/46/76/1322834676.db2.gz INGLEUBYLQHFPF-QGZVFWFLSA-N 2 0 348.491 2.363 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(F)cc(F)c1 ZINC001265000909 1322848307 /nfs/dbraw/zinc/84/83/07/1322848307.db2.gz HZFNYTPVSCEJKZ-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001265310879 1323061702 /nfs/dbraw/zinc/06/17/02/1323061702.db2.gz WOLGXBSHZKMQTH-KRWDZBQOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001265571392 1323224554 /nfs/dbraw/zinc/22/45/54/1323224554.db2.gz NQGKRBXKPAPXDM-QRQLOZEOSA-N 2 0 349.519 2.082 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001265619620 1323272471 /nfs/dbraw/zinc/27/24/71/1323272471.db2.gz QDEQMJMCPMJSGD-CHWSQXEVSA-N 2 0 334.291 2.228 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001265687624 1323321390 /nfs/dbraw/zinc/32/13/90/1323321390.db2.gz DEFPONQAFKUKSS-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001266108819 1323675112 /nfs/dbraw/zinc/67/51/12/1323675112.db2.gz HIKFWMHWMVZDGK-FQEVSTJZSA-N 2 0 343.515 2.455 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1cncs1 ZINC001266203683 1323767764 /nfs/dbraw/zinc/76/77/64/1323767764.db2.gz HYXCFQYGEOECOW-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CCCCC(F)(F)F)CC1 ZINC001279628740 1323965374 /nfs/dbraw/zinc/96/53/74/1323965374.db2.gz MXZDEXBTRUMGHR-UHFFFAOYSA-N 2 0 335.414 2.419 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ncccc2C)C1)[NH+](C)C ZINC001280094677 1324083923 /nfs/dbraw/zinc/08/39/23/1324083923.db2.gz NCAOTKPEKGRGGE-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1)[NH+]1CCCC1 ZINC001280138835 1324093905 /nfs/dbraw/zinc/09/39/05/1324093905.db2.gz ARSVKGNJJORDAB-KRWDZBQOSA-N 2 0 344.503 2.284 10 0 EEAERP COCCC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001280353913 1324168421 /nfs/dbraw/zinc/16/84/21/1324168421.db2.gz DOZPDGWJEGPICH-MRXNPFEDSA-N 2 0 347.503 2.332 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCOCC1)C1CCC1 ZINC001281239842 1324912875 /nfs/dbraw/zinc/91/28/75/1324912875.db2.gz RNRYIIWJGXKRRQ-UHFFFAOYSA-N 2 0 349.519 2.226 10 0 EEAERP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641288 1324939346 /nfs/dbraw/zinc/93/93/46/1324939346.db2.gz LESWAWKHSWXIAN-IAGOWNOFSA-N 2 0 325.472 2.237 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001276641493 1324940366 /nfs/dbraw/zinc/94/03/66/1324940366.db2.gz LUQROJSEFVUQIU-MOPGFXCFSA-N 2 0 329.488 2.198 10 0 EEAERP C[C@H](CCC[NH2+][C@@H](C)c1cnccn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283260437 1325976613 /nfs/dbraw/zinc/97/66/13/1325976613.db2.gz NCGFZFJPRQHXCC-SJORKVTESA-N 2 0 347.507 2.144 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001283663946 1326190613 /nfs/dbraw/zinc/19/06/13/1326190613.db2.gz HZKUUFSFGWBYRC-QGZVFWFLSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001284651909 1326646942 /nfs/dbraw/zinc/64/69/42/1326646942.db2.gz COURZQRUQHSXNH-DLBZAZTESA-N 2 0 339.524 2.041 10 0 EEAERP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCF)CC1 ZINC001284677763 1326661167 /nfs/dbraw/zinc/66/11/67/1326661167.db2.gz MHEFYROUAFDFOG-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP COc1ccc(Cl)c(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001491674408 1330221918 /nfs/dbraw/zinc/22/19/18/1330221918.db2.gz OADUYLDESAWSAO-ZDUSSCGKSA-N 2 0 339.867 2.039 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001491845245 1330272016 /nfs/dbraw/zinc/27/20/16/1330272016.db2.gz ISUXDHPBPFMLME-OAHLLOKOSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001492159293 1331022995 /nfs/dbraw/zinc/02/29/95/1331022995.db2.gz XLCCUKPHKPZTOI-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCCCc3cc[nH+]c(N)c3)C[N@@H+]2C1 ZINC001306093522 1331453976 /nfs/dbraw/zinc/45/39/76/1331453976.db2.gz AKBLPLPOOFKSPU-HYVNUMGLSA-N 2 0 330.476 2.223 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC001316823626 1331856399 /nfs/dbraw/zinc/85/63/99/1331856399.db2.gz HBLSIMDUBBQRKE-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316770403 1331884037 /nfs/dbraw/zinc/88/40/37/1331884037.db2.gz JSHCCHRFIUQVEK-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CC(F)(F)C1 ZINC001316829785 1331919870 /nfs/dbraw/zinc/91/98/70/1331919870.db2.gz XGVZGLHKPDQWLE-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cc(F)ccc1F ZINC001316868834 1331939727 /nfs/dbraw/zinc/93/97/27/1331939727.db2.gz AQJKTZNLMQDLMD-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001316946850 1332008630 /nfs/dbraw/zinc/00/86/30/1332008630.db2.gz FDUWIDOROLGJDD-HKUYNNGSSA-N 2 0 347.503 2.376 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2OC)C1)[NH+](C)C ZINC001317063467 1332066537 /nfs/dbraw/zinc/06/65/37/1332066537.db2.gz BMFBVSPIMXQIHZ-ROUUACIJSA-N 2 0 347.503 2.159 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317139146 1332095520 /nfs/dbraw/zinc/09/55/20/1332095520.db2.gz XFXWIZZEBHGGLG-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001317146366 1332099041 /nfs/dbraw/zinc/09/90/41/1332099041.db2.gz IWSVFJPNRKUHCS-VQIMIIECSA-N 2 0 347.478 2.291 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC001317436142 1332240062 /nfs/dbraw/zinc/24/00/62/1332240062.db2.gz WMHFQBYZFLXMTL-AWEZNQCLSA-N 2 0 335.414 2.395 10 0 EEAERP COCCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317686809 1332373626 /nfs/dbraw/zinc/37/36/26/1332373626.db2.gz PCCHNCHENHQDPR-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001318802363 1332599750 /nfs/dbraw/zinc/59/97/50/1332599750.db2.gz ASJAMWXVJVHPDK-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001319373137 1332692216 /nfs/dbraw/zinc/69/22/16/1332692216.db2.gz VWVKNSQYFVNJMV-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CCCCC1 ZINC001319654188 1332735087 /nfs/dbraw/zinc/73/50/87/1332735087.db2.gz DERHDNFXXXPFES-IRXDYDNUSA-N 2 0 327.488 2.485 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001319762173 1332760724 /nfs/dbraw/zinc/76/07/24/1332760724.db2.gz CWHHIUQUHRPXRM-JKSUJKDBSA-N 2 0 344.459 2.344 10 0 EEAERP C[C@H](CC[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320414953 1332878648 /nfs/dbraw/zinc/87/86/48/1332878648.db2.gz NJRJMBIFPOLALF-YLJYHZDGSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001320416895 1332878736 /nfs/dbraw/zinc/87/87/36/1332878736.db2.gz XPGKJCVZMALVDS-DYVFJYSZSA-N 2 0 335.517 2.383 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320463289 1332889876 /nfs/dbraw/zinc/88/98/76/1332889876.db2.gz GOMNJDXJCNWWGW-YJBOKZPZSA-N 2 0 349.523 2.241 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001320609236 1332920353 /nfs/dbraw/zinc/92/03/53/1332920353.db2.gz RMTDMCBIOYALQA-RDJZCZTQSA-N 2 0 332.492 2.025 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001320634046 1332925940 /nfs/dbraw/zinc/92/59/40/1332925940.db2.gz MYXQQGAYRFXACT-WMZOPIPTSA-N 2 0 347.503 2.410 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1oc(C)nc1C ZINC001320643520 1332927774 /nfs/dbraw/zinc/92/77/74/1332927774.db2.gz FSTPARYTVPRAMF-XJKSGUPXSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001320781215 1332951692 /nfs/dbraw/zinc/95/16/92/1332951692.db2.gz FMDVMGXIYRZQJP-UHFFFAOYSA-N 2 0 329.488 2.296 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001321187931 1333040626 /nfs/dbraw/zinc/04/06/26/1333040626.db2.gz DZEUIULGURFNPY-WOMSROEHSA-N 2 0 337.414 2.480 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321848809 1333167473 /nfs/dbraw/zinc/16/74/73/1333167473.db2.gz JAFWSLDLMJMWMI-YOEHRIQHSA-N 2 0 335.517 2.117 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001321958571 1333186208 /nfs/dbraw/zinc/18/62/08/1333186208.db2.gz OJXPIKKPKLIVLX-BZSNNMDCSA-N 2 0 347.503 2.198 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322783716 1333325154 /nfs/dbraw/zinc/32/51/54/1333325154.db2.gz ICHBGFQNUFAROB-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001322793031 1333327836 /nfs/dbraw/zinc/32/78/36/1333327836.db2.gz PWEHGXQJWCYPTQ-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccc(C)cc1)[NH+](C)C ZINC001324225367 1333638330 /nfs/dbraw/zinc/63/83/30/1333638330.db2.gz JZAQOOJAPQNWLO-HKUYNNGSSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001326272021 1334056817 /nfs/dbraw/zinc/05/68/17/1334056817.db2.gz GQVSRYPUVKZIPO-MJGOQNOKSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001326330915 1334069734 /nfs/dbraw/zinc/06/97/34/1334069734.db2.gz HVOBLUWUGNZBOW-PKOBYXMFSA-N 2 0 329.488 2.417 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001326333092 1334070203 /nfs/dbraw/zinc/07/02/03/1334070203.db2.gz OHKFXMOXASPUPZ-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(Cc1cnc[nH]1)N1CCC(OCCC[NH2+]CC2CCCC2)CC1 ZINC001329786604 1334714717 /nfs/dbraw/zinc/71/47/17/1334714717.db2.gz LSVVAZIRIHJCLQ-UHFFFAOYSA-N 2 0 348.491 2.130 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC001330770912 1334899838 /nfs/dbraw/zinc/89/98/38/1334899838.db2.gz XPOUTZXYFBABIW-WBMJQRKESA-N 2 0 338.521 2.229 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001331455219 1335016716 /nfs/dbraw/zinc/01/67/16/1335016716.db2.gz FYYUKGURGWGWKT-ZWKOTPCHSA-N 2 0 346.450 2.180 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)C12CCC2 ZINC001335252826 1336355315 /nfs/dbraw/zinc/35/53/15/1336355315.db2.gz PZYMWQSVONIXMJ-KGLIPLIRSA-N 2 0 341.377 2.295 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC[C@@H]1CCCCO1 ZINC001479816679 1337399524 /nfs/dbraw/zinc/39/95/24/1337399524.db2.gz WVZLBZNPHXKVJW-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)cc1 ZINC000849011878 1338823111 /nfs/dbraw/zinc/82/31/11/1338823111.db2.gz VPHDDVHRLBRHRK-GOSISDBHSA-N 2 0 348.491 2.200 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214977 1355900806 /nfs/dbraw/zinc/90/08/06/1355900806.db2.gz SYHBMGKLJGUPOU-IAGOWNOFSA-N 2 0 347.503 2.330 10 0 EEAERP O=C(N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001445991201 1342080030 /nfs/dbraw/zinc/08/00/30/1342080030.db2.gz ZNUHQWHMCFXJFD-WBVHZDCISA-N 2 0 341.446 2.002 10 0 EEAERP Cc1conc1C[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500392541 1342185083 /nfs/dbraw/zinc/18/50/83/1342185083.db2.gz CXBKEMNMVVSXNX-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001674172018 1356803052 /nfs/dbraw/zinc/80/30/52/1356803052.db2.gz BRNCEEZIKPDKLP-ROUUACIJSA-N 2 0 347.503 2.261 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCCCF)CC2)[NH+](C)C ZINC001566693682 1342604773 /nfs/dbraw/zinc/60/47/73/1342604773.db2.gz WHZINYOYUCTYHJ-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001566905216 1342649787 /nfs/dbraw/zinc/64/97/87/1342649787.db2.gz OKXZDPYYJXBKNY-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP C[C@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001567180552 1342706135 /nfs/dbraw/zinc/70/61/35/1342706135.db2.gz FPLHSNGGAKIZME-MAUKXSAKSA-N 2 0 335.467 2.277 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001675920374 1357069859 /nfs/dbraw/zinc/06/98/59/1357069859.db2.gz OVXGGHYRIMHTQV-KSSFIOAISA-N 2 0 348.491 2.411 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC001567265830 1342728182 /nfs/dbraw/zinc/72/81/82/1342728182.db2.gz FPWNAZMXWOYNDL-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001567522960 1342777597 /nfs/dbraw/zinc/77/75/97/1342777597.db2.gz MJPFSIFUWADTNB-UHFFFAOYSA-N 2 0 337.427 2.208 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001569575399 1342900396 /nfs/dbraw/zinc/90/03/96/1342900396.db2.gz PUDRIHYTFQUKIO-UHFFFAOYSA-N 2 0 341.540 2.362 10 0 EEAERP O=C(N(CC[NH2+]CCF)Cc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001569868619 1342962853 /nfs/dbraw/zinc/96/28/53/1342962853.db2.gz BYQGDRTVYRNXGR-UHFFFAOYSA-N 2 0 347.478 2.450 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001569998083 1342993736 /nfs/dbraw/zinc/99/37/36/1342993736.db2.gz HCNVFUVXYBQKPE-SFHVURJKSA-N 2 0 346.519 2.368 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CCC1)[NH+](C)C ZINC001570123574 1343014290 /nfs/dbraw/zinc/01/42/90/1343014290.db2.gz VHRZKKWPKXTQFA-CQSZACIVSA-N 2 0 338.883 2.204 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001570437141 1343069147 /nfs/dbraw/zinc/06/91/47/1343069147.db2.gz JNFXNNGZDHNHBF-ZBFHGGJFSA-N 2 0 344.459 2.262 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]CCCCC(F)(F)F)C1 ZINC001570581469 1343088738 /nfs/dbraw/zinc/08/87/38/1343088738.db2.gz WGUKZYUNWMZGRV-UHFFFAOYSA-N 2 0 335.414 2.299 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](Cc3cccc(F)c3)CC2)CC1 ZINC001571693554 1343276141 /nfs/dbraw/zinc/27/61/41/1343276141.db2.gz CQDOIADFLOJPAO-UHFFFAOYSA-N 2 0 345.462 2.416 10 0 EEAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001571697946 1343278963 /nfs/dbraw/zinc/27/89/63/1343278963.db2.gz SAGWTGNUMFZEJT-SNAWJCMRSA-N 2 0 349.519 2.202 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001676244122 1357126124 /nfs/dbraw/zinc/12/61/24/1357126124.db2.gz PGSAXCVYNVPUKQ-ZNZCEAFZSA-N 2 0 327.900 2.296 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCOc1ccccc1 ZINC001676369509 1357142049 /nfs/dbraw/zinc/14/20/49/1357142049.db2.gz RDWMRRQSADADGG-PKOBYXMFSA-N 2 0 347.503 2.376 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001676461838 1357153529 /nfs/dbraw/zinc/15/35/29/1357153529.db2.gz RQVXVZCYQRJZJF-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677263702 1357304307 /nfs/dbraw/zinc/30/43/07/1357304307.db2.gz XMFXGUHZBYLNNE-LSDHHAIUSA-N 2 0 327.488 2.483 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001656206599 1354214577 /nfs/dbraw/zinc/21/45/77/1354214577.db2.gz DEHADZQVONVAHE-RBSFLKMASA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]Cc1ccon1 ZINC001656611577 1354252221 /nfs/dbraw/zinc/25/22/21/1354252221.db2.gz SQIYXAIOEYRUTI-KBAYOESNSA-N 2 0 348.491 2.266 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CCC[NH2+]Cc1ccon1 ZINC001656630498 1354254267 /nfs/dbraw/zinc/25/42/67/1354254267.db2.gz FUWHWSOXJTXOMC-SJLPKXTDSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)OCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001660779933 1354536911 /nfs/dbraw/zinc/53/69/11/1354536911.db2.gz GOXBJIGOPBQZFV-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662542000 1354805028 /nfs/dbraw/zinc/80/50/28/1354805028.db2.gz YOQDVWZXPGHUIP-XLIONFOSSA-N 2 0 343.515 2.460 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001662711139 1354829987 /nfs/dbraw/zinc/82/99/87/1354829987.db2.gz HBGOXDMEXKXCCT-IBGZPJMESA-N 2 0 341.499 2.153 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@H]2CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001663120853 1354922152 /nfs/dbraw/zinc/92/21/52/1354922152.db2.gz ZGAFEXFIOZMUCI-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC001664263964 1355125298 /nfs/dbraw/zinc/12/52/98/1355125298.db2.gz CHJWNQFGEQINEY-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP CCN(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCOC)C1)c1ccccc1 ZINC001665080931 1355272624 /nfs/dbraw/zinc/27/26/24/1355272624.db2.gz PUVIGSKKIYDXJM-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCOc1ccccc1)C1CC1 ZINC001665984975 1355420008 /nfs/dbraw/zinc/42/00/08/1355420008.db2.gz NPEKSHIFJBPFJW-ICSRJNTNSA-N 2 0 345.487 2.034 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCC2=CCCCC2)CCO1 ZINC001666735106 1355582876 /nfs/dbraw/zinc/58/28/76/1355582876.db2.gz WVJYRHKNGHUVNU-SFHVURJKSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CCCCCF ZINC001667189108 1355668817 /nfs/dbraw/zinc/66/88/17/1355668817.db2.gz JADPJPVDRUIZFJ-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOc1ccccc1 ZINC001667494046 1355750169 /nfs/dbraw/zinc/75/01/69/1355750169.db2.gz RNYUZVGKQYZIKL-LJQANCHMSA-N 2 0 347.503 2.138 10 0 EEAERP Cc1ccccc1OCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001667664388 1355776631 /nfs/dbraw/zinc/77/66/31/1355776631.db2.gz OQTJFRPLGDLWOT-GOSISDBHSA-N 2 0 347.503 2.106 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668065101 1355859920 /nfs/dbraw/zinc/85/99/20/1355859920.db2.gz GKHBPNGDNKEMOS-GZBFAFLISA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668086770 1355866080 /nfs/dbraw/zinc/86/60/80/1355866080.db2.gz IZKBICGGHNBSNX-YOEHRIQHSA-N 2 0 334.464 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2nccs2)C1 ZINC001668178780 1355891887 /nfs/dbraw/zinc/89/18/87/1355891887.db2.gz LXMFKDKCXSSSGF-CABCVRRESA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001668184655 1355893817 /nfs/dbraw/zinc/89/38/17/1355893817.db2.gz FWSBIEKNSXACEX-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]C[C@H]2CCCOC2)cc1 ZINC001669091426 1356091726 /nfs/dbraw/zinc/09/17/26/1356091726.db2.gz LGFYYQHSCYYZRB-OAJJDEHYSA-N 2 0 345.487 2.050 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001669716359 1356198644 /nfs/dbraw/zinc/19/86/44/1356198644.db2.gz VZQSYKRJEMAYBJ-KRWDZBQOSA-N 2 0 329.488 2.118 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001670158307 1356287590 /nfs/dbraw/zinc/28/75/90/1356287590.db2.gz QFUQOTKUXMOOFU-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001670344373 1356324093 /nfs/dbraw/zinc/32/40/93/1356324093.db2.gz GPWNYRIDAMDADK-QGZVFWFLSA-N 2 0 328.460 2.058 10 0 EEAERP CN1CCO[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001671720877 1356402568 /nfs/dbraw/zinc/40/25/68/1356402568.db2.gz UVRVATMQUUNXRB-ICSRJNTNSA-N 2 0 349.519 2.036 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671893159 1356433885 /nfs/dbraw/zinc/43/38/85/1356433885.db2.gz ZKMLLHCBUTUULP-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCCF)C3)CC1 ZINC001672161526 1356471270 /nfs/dbraw/zinc/47/12/70/1356471270.db2.gz SHSMQEVJQJOKTG-BBWFWOEESA-N 2 0 339.499 2.437 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2C)C1)[NH+](C)C ZINC001672816088 1356591049 /nfs/dbraw/zinc/59/10/49/1356591049.db2.gz MYCDNBPZYGIEKA-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001672910059 1356612902 /nfs/dbraw/zinc/61/29/02/1356612902.db2.gz KJGBGHFDPLWMBT-WMZOPIPTSA-N 2 0 333.520 2.347 10 0 EEAERP COCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001674002512 1356769827 /nfs/dbraw/zinc/76/98/27/1356769827.db2.gz XTAWNXLPEDWEME-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001675620976 1357017436 /nfs/dbraw/zinc/01/74/36/1357017436.db2.gz HNTVGTUEFPSJOH-WIJVFFIESA-N 2 0 337.508 2.034 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001675677431 1357033992 /nfs/dbraw/zinc/03/39/92/1357033992.db2.gz FKKSVBNLBFDGEP-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001675781768 1357049037 /nfs/dbraw/zinc/04/90/37/1357049037.db2.gz HRYVPVKZOOMJPD-LEAZDLGRSA-N 2 0 343.515 2.444 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C1CC[NH+](C)CC1 ZINC001675966694 1357079142 /nfs/dbraw/zinc/07/91/42/1357079142.db2.gz VYAULUGMOJMGID-CQSZACIVSA-N 2 0 348.491 2.268 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CCC[NH2+]CCF ZINC001692119839 1404980992 /nfs/dbraw/zinc/98/09/92/1404980992.db2.gz MFJULXFHZYFXKY-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCCCCF)C3)CC2)CC[N@@H+]1C ZINC001698803810 1405076221 /nfs/dbraw/zinc/07/62/21/1405076221.db2.gz JEBTXFYJYHURAK-IAGOWNOFSA-N 2 0 339.499 2.391 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001699106053 1405260370 /nfs/dbraw/zinc/26/03/70/1405260370.db2.gz ZEKCSJDQXMPMAB-LLVKDONJSA-N 2 0 344.912 2.265 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699538504 1405377638 /nfs/dbraw/zinc/37/76/38/1405377638.db2.gz LBIIWSLZBPMJQL-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCc1cccc(F)c1)C1CC1 ZINC001699573863 1405399526 /nfs/dbraw/zinc/39/95/26/1405399526.db2.gz MHZPQIZMGXSDGR-RTBURBONSA-N 2 0 347.478 2.337 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001699843591 1405523364 /nfs/dbraw/zinc/52/33/64/1405523364.db2.gz AAWVDXYPBNKHCL-FUHWJXTLSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000819195800 785457282 /nfs/dbraw/zinc/45/72/82/785457282.db2.gz KJMRKBABUVCIQA-LJQANCHMSA-N 2 0 343.471 2.462 10 0 EEAERP C[C@@]12CN(C(=O)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000711075075 787121858 /nfs/dbraw/zinc/12/18/58/787121858.db2.gz OMEDBIJNLLPJBB-VNYTWHDVSA-N 2 0 341.499 2.484 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923333152 789392174 /nfs/dbraw/zinc/39/21/74/789392174.db2.gz UUFHAHQRHBZLCV-TUAOUCFPSA-N 2 0 333.259 2.402 10 0 EEAERP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385559 789480293 /nfs/dbraw/zinc/48/02/93/789480293.db2.gz ALHFQTOLYXAVDS-FUHWJXTLSA-N 2 0 336.451 2.277 10 0 EEAERP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923456268 789572625 /nfs/dbraw/zinc/57/26/25/789572625.db2.gz XBTPQBLKGFOWLR-SJORKVTESA-N 2 0 345.487 2.460 10 0 EEAERP Cc1ccccc1-c1noc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)n1 ZINC000923453660 789588488 /nfs/dbraw/zinc/58/84/88/789588488.db2.gz CIDGLPSSFKWHGQ-HNNXBMFYSA-N 2 0 342.443 2.375 10 0 EEAERP C[N@H+](CCCCCC[NH3+])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000846220129 790092234 /nfs/dbraw/zinc/09/22/34/790092234.db2.gz CVTZUKMMHMUQTK-AWEZNQCLSA-N 2 0 342.281 2.426 10 0 EEAERP C/C(=C/C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)CN1CCOCC1 ZINC000913792803 794284598 /nfs/dbraw/zinc/28/45/98/794284598.db2.gz SEBYNXJQOPXXNV-VLGSPTGOSA-N 2 0 349.519 2.132 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000713226315 794559604 /nfs/dbraw/zinc/55/96/04/794559604.db2.gz IFKKMFKQNFIYNT-PNYFIKQUSA-N 2 0 327.472 2.142 10 0 EEAERP O[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000716654113 796405005 /nfs/dbraw/zinc/40/50/05/796405005.db2.gz FEMNIAWCXIIWKK-VJANTYMQSA-N 2 0 332.513 2.497 10 0 EEAERP Cc1n[nH]c(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716727978 796448556 /nfs/dbraw/zinc/44/85/56/796448556.db2.gz NTLZPTXUQPXEGB-BZSNNMDCSA-N 2 0 325.460 2.298 10 0 EEAERP NC1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423545466 799486261 /nfs/dbraw/zinc/48/62/61/799486261.db2.gz CQJZSQSCAPFINM-GOSISDBHSA-N 2 0 339.487 2.370 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000922416744 801027835 /nfs/dbraw/zinc/02/78/35/801027835.db2.gz JLYXHDUTXLNYIA-MVJTYMMSSA-N 2 0 332.492 2.378 10 0 EEAERP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183598866 801665152 /nfs/dbraw/zinc/66/51/52/801665152.db2.gz DXNLYBCDYMHORT-QGZVFWFLSA-N 2 0 330.476 2.290 10 0 EEAERP CN1CCC([NH2+]C[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC000922790954 801895343 /nfs/dbraw/zinc/89/53/43/801895343.db2.gz LADKPVFRBSFHNX-NLGTXKQRSA-N 2 0 338.492 2.340 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001566052624 1125526826 /nfs/dbraw/zinc/52/68/26/1125526826.db2.gz FKGUWLPGNBKWEN-JQRVFGMCSA-N 2 0 333.520 2.465 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566071233 1125544098 /nfs/dbraw/zinc/54/40/98/1125544098.db2.gz MNUSPKMVRJWXOO-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC[C@H]1CCCC1(F)F ZINC001566439646 1125601743 /nfs/dbraw/zinc/60/17/43/1125601743.db2.gz FBLAIQFSFWVXIY-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]C/C(Cl)=C/Cl)C2CC2)C1 ZINC001436814176 1088403329 /nfs/dbraw/zinc/40/33/29/1088403329.db2.gz XAZYVVOUOOFZFA-KQMCEHGWSA-N 2 0 334.291 2.132 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001436825237 1088426264 /nfs/dbraw/zinc/42/62/64/1088426264.db2.gz GIBVJJCBPHWTPD-HXUWFJFHSA-N 2 0 341.499 2.256 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001436967279 1088658607 /nfs/dbraw/zinc/65/86/07/1088658607.db2.gz WDMURIGOCYEOQJ-CALCHBBNSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)ccc2c[nH+]cn21 ZINC001437167309 1089184592 /nfs/dbraw/zinc/18/45/92/1089184592.db2.gz MMJZFNNBWCPOQK-CZUORRHYSA-N 2 0 344.459 2.166 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001437339084 1089534284 /nfs/dbraw/zinc/53/42/84/1089534284.db2.gz XCFACJZNXLPCOO-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1F ZINC001437405959 1089681866 /nfs/dbraw/zinc/68/18/66/1089681866.db2.gz YTYGGIJSHTUSIL-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ccc(C[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001437480299 1089825781 /nfs/dbraw/zinc/82/57/81/1089825781.db2.gz KKIKKTUMORWMPE-LJQANCHMSA-N 2 0 346.519 2.367 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H]1CCCC1(F)F ZINC001437591382 1090088136 /nfs/dbraw/zinc/08/81/36/1090088136.db2.gz RDOGPIULSUVGNE-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCc2ccccc21 ZINC001437595940 1090099919 /nfs/dbraw/zinc/09/99/19/1090099919.db2.gz ZDNITMRRTXGXRZ-PMACEKPBSA-N 2 0 341.499 2.454 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001437919276 1090506466 /nfs/dbraw/zinc/50/64/66/1090506466.db2.gz BTHWBKJWEIBSPY-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001438009322 1090605202 /nfs/dbraw/zinc/60/52/02/1090605202.db2.gz GOLFSDOJLNCNRD-RTWZZBQXSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cc(C[NH+]2CC(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)cs1 ZINC001438155994 1090670769 /nfs/dbraw/zinc/67/07/69/1090670769.db2.gz DSIYQICVMMTFGT-OKILXGFUSA-N 2 0 335.517 2.477 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001438236884 1090716967 /nfs/dbraw/zinc/71/69/67/1090716967.db2.gz DMLPRUNGNZOCOH-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001438266743 1090749017 /nfs/dbraw/zinc/74/90/17/1090749017.db2.gz NYYBRCUCLATRDL-VQIMIIECSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1oc(C(C)C)nc1C ZINC001438382559 1090866342 /nfs/dbraw/zinc/86/63/42/1090866342.db2.gz ZHLNVYZVMYNZEQ-OAHLLOKOSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC001438399422 1090887020 /nfs/dbraw/zinc/88/70/20/1090887020.db2.gz XHNXVQBUPXMFOB-IAGOWNOFSA-N 2 0 344.503 2.473 10 0 EEAERP COc1cccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c1 ZINC001438411959 1090901555 /nfs/dbraw/zinc/90/15/55/1090901555.db2.gz PFLKQPCOSMNLAH-AZUAARDMSA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001438650462 1091134660 /nfs/dbraw/zinc/13/46/60/1091134660.db2.gz KHKFSFYBQWYFLA-SJLPKXTDSA-N 2 0 349.523 2.273 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001445558457 1091332909 /nfs/dbraw/zinc/33/29/09/1091332909.db2.gz SNYIHBSJWKRVSV-YJBOKZPZSA-N 2 0 330.476 2.083 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(C)o1 ZINC001445902148 1091827751 /nfs/dbraw/zinc/82/77/51/1091827751.db2.gz QYXWGUROVZNAPM-NVXWUHKLSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001439181126 1091828490 /nfs/dbraw/zinc/82/84/90/1091828490.db2.gz AVQJDYZYDKMVRO-VQIMIIECSA-N 2 0 346.519 2.413 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001445974851 1091931201 /nfs/dbraw/zinc/93/12/01/1091931201.db2.gz AXFIUUUJZLLWLY-YJBOKZPZSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001446335747 1092544831 /nfs/dbraw/zinc/54/48/31/1092544831.db2.gz UTDKKWNYQFHOPT-AEFFLSMTSA-N 2 0 339.499 2.391 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CC1)[NH+]1CCCCC1 ZINC001439674527 1092616415 /nfs/dbraw/zinc/61/64/15/1092616415.db2.gz GKPXYZYOVGTKGH-HOTGVXAUSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CCCC2)on1 ZINC001439816107 1092793041 /nfs/dbraw/zinc/79/30/41/1092793041.db2.gz NEJAXAOZYMUOPE-KBXCAEBGSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC2)c(C)n1 ZINC001440311232 1093442442 /nfs/dbraw/zinc/44/24/42/1093442442.db2.gz BOIJQTNJJNWNII-GOSISDBHSA-N 2 0 344.503 2.311 10 0 EEAERP CC(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001448457997 1093467270 /nfs/dbraw/zinc/46/72/70/1093467270.db2.gz HATVMBYXCWSNFP-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC001448473509 1093489298 /nfs/dbraw/zinc/48/92/98/1093489298.db2.gz QJVGBYHXANVBQT-GVDBMIGSSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001440404008 1093593182 /nfs/dbraw/zinc/59/31/82/1093593182.db2.gz MJLGRVNBPVXBMD-GVDBMIGSSA-N 2 0 348.491 2.232 10 0 EEAERP CN(CCC[N@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001440433182 1093636949 /nfs/dbraw/zinc/63/69/49/1093636949.db2.gz WUDWWJGCRFHXRH-GJZGRUSLSA-N 2 0 331.451 2.296 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001440466424 1093689381 /nfs/dbraw/zinc/68/93/81/1093689381.db2.gz ALRLNKLCZXWDAT-KRWDZBQOSA-N 2 0 332.492 2.012 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001448792436 1093870945 /nfs/dbraw/zinc/87/09/45/1093870945.db2.gz VCVSPGJHRIQSTP-KDOFPFPSSA-N 2 0 333.451 2.345 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2c3ccccc3CC[NH+]2CC2CC2)C1 ZINC001440690843 1093942855 /nfs/dbraw/zinc/94/28/55/1093942855.db2.gz QZSKHQPLTFMVON-UZLBHIALSA-N 2 0 341.499 2.454 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC2CCCCC2)cc1 ZINC001448914507 1093943755 /nfs/dbraw/zinc/94/37/55/1093943755.db2.gz DFNALAOMXQIVQH-LJQANCHMSA-N 2 0 347.503 2.009 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001440751398 1093996207 /nfs/dbraw/zinc/99/62/07/1093996207.db2.gz JOFSXFPFNNCLMM-HWOWSKLDSA-N 2 0 325.472 2.095 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC001449031597 1094041643 /nfs/dbraw/zinc/04/16/43/1094041643.db2.gz FBHVRFQSKQHDKE-FHWLQOOXSA-N 2 0 344.503 2.139 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[C@H](Cc2ccccc2)[NH2+]CCF)CC[N@@H+]1C ZINC001449032923 1094044093 /nfs/dbraw/zinc/04/40/93/1094044093.db2.gz RJCOSIKVFKWUCA-YTQUADARSA-N 2 0 349.494 2.393 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001440842944 1094099006 /nfs/dbraw/zinc/09/90/06/1094099006.db2.gz PDWUEYFLNSLSPA-KBPBESRZSA-N 2 0 335.517 2.444 10 0 EEAERP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C[C@@H]1CCOC1 ZINC001440951331 1094205136 /nfs/dbraw/zinc/20/51/36/1094205136.db2.gz FQBDPJJLAFVGQD-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2cccnc2)C1 ZINC001440963940 1094222340 /nfs/dbraw/zinc/22/23/40/1094222340.db2.gz SKJQQUQWTJSCET-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440970672 1094227698 /nfs/dbraw/zinc/22/76/98/1094227698.db2.gz NCBKCJLLCBOSPM-DLBZAZTESA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001449358531 1094321682 /nfs/dbraw/zinc/32/16/82/1094321682.db2.gz WRJKKMBAHSJPBX-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001449374217 1094344755 /nfs/dbraw/zinc/34/47/55/1094344755.db2.gz PYIUZYWMVQWSPR-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001441254632 1094651826 /nfs/dbraw/zinc/65/18/26/1094651826.db2.gz MRPBQYWBMHLERT-GOSISDBHSA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1cccnc1)C1CC1)[NH+]1CCCC1 ZINC001441294103 1094730813 /nfs/dbraw/zinc/73/08/13/1094730813.db2.gz HLLGVQOFUAHWOP-RBUKOAKNSA-N 2 0 344.503 2.186 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441296259 1094737567 /nfs/dbraw/zinc/73/75/67/1094737567.db2.gz JRFARPGZOXHAHG-CQSZACIVSA-N 2 0 347.425 2.205 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001441491670 1095171427 /nfs/dbraw/zinc/17/14/27/1095171427.db2.gz WBABRRIQHGBEQM-KATQLPLLSA-N 2 0 340.270 2.222 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC001441502083 1095186064 /nfs/dbraw/zinc/18/60/64/1095186064.db2.gz FIDQPVWGZRBKFQ-SOLBZPMBSA-N 2 0 345.462 2.392 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001441548191 1095275234 /nfs/dbraw/zinc/27/52/34/1095275234.db2.gz NYPQFQDBZFWEAV-DYVFJYSZSA-N 2 0 339.430 2.386 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001441613951 1095479278 /nfs/dbraw/zinc/47/92/78/1095479278.db2.gz SNTKAHHIXPXRIB-HNNXBMFYSA-N 2 0 348.491 2.222 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@@H]1C ZINC001441829932 1095885784 /nfs/dbraw/zinc/88/57/84/1095885784.db2.gz WUZNABWIBLEFMT-DOTOQJQBSA-N 2 0 349.523 2.057 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC001441829942 1095886829 /nfs/dbraw/zinc/88/68/29/1095886829.db2.gz WUZNABWIBLEFMT-WBVHZDCISA-N 2 0 349.523 2.057 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC001441851500 1095939856 /nfs/dbraw/zinc/93/98/56/1095939856.db2.gz CNZFOQSUUPAKAX-YJBOKZPZSA-N 2 0 349.523 2.241 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001442136395 1096380683 /nfs/dbraw/zinc/38/06/83/1096380683.db2.gz DMMOBNWIZDOOCR-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001442230019 1096529728 /nfs/dbraw/zinc/52/97/28/1096529728.db2.gz BXYOCLHOBHKHKT-LEOMRAHMSA-N 2 0 333.476 2.114 10 0 EEAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nc2ccccc2o1 ZINC001442285255 1096597691 /nfs/dbraw/zinc/59/76/91/1096597691.db2.gz AXZYEWLZSVSVAB-AWEZNQCLSA-N 2 0 344.459 2.154 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)CC[C@H]2CCC[NH+]2C)c(C)n1 ZINC001442419026 1096742174 /nfs/dbraw/zinc/74/21/74/1096742174.db2.gz FHTZPXFAUPEKIH-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP CO[C@H](C[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001442533673 1096893289 /nfs/dbraw/zinc/89/32/89/1096893289.db2.gz BEVVXRPQYVLIJI-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccnc1C ZINC001442756606 1097132176 /nfs/dbraw/zinc/13/21/76/1097132176.db2.gz QEYZJFJBCUVPTQ-HZPDHXFCSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@H](CCNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001443267274 1097748695 /nfs/dbraw/zinc/74/86/95/1097748695.db2.gz QGNCGDNESMYENU-ZWKOTPCHSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@H+](CCCc1ccccc1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001443316589 1097800967 /nfs/dbraw/zinc/80/09/67/1097800967.db2.gz ZTBSYOXWWQSERE-PMACEKPBSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001443609794 1098104844 /nfs/dbraw/zinc/10/48/44/1098104844.db2.gz CMYSBDUJNKDGOX-DNVCBOLYSA-N 2 0 327.472 2.064 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001479643892 1098673735 /nfs/dbraw/zinc/67/37/35/1098673735.db2.gz HLIWEYCSNZTRGD-BPQIPLTHSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cncs1 ZINC001479645839 1098675728 /nfs/dbraw/zinc/67/57/28/1098675728.db2.gz UKKUXQWWBSDSMS-JKSUJKDBSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001444190042 1098741201 /nfs/dbraw/zinc/74/12/01/1098741201.db2.gz HTOIUJIRDZRJEZ-JYJNAYRXSA-N 2 0 336.480 2.401 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001479695105 1098763519 /nfs/dbraw/zinc/76/35/19/1098763519.db2.gz ICNWGCOKIHNJNC-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479744126 1098873045 /nfs/dbraw/zinc/87/30/45/1098873045.db2.gz AFAMFVRXVHXNGP-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(Cl)cc1F ZINC001444403582 1099006297 /nfs/dbraw/zinc/00/62/97/1099006297.db2.gz ILQNMTCVIRGVFC-CYBMUJFWSA-N 2 0 341.858 2.417 10 0 EEAERP CC[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001479860721 1099171971 /nfs/dbraw/zinc/17/19/71/1099171971.db2.gz QXEWUQOPFAWQSI-KOTDBNOLSA-N 2 0 329.488 2.480 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1C ZINC001444617669 1099443688 /nfs/dbraw/zinc/44/36/88/1099443688.db2.gz ICDPWMHVMDIJHZ-CRAIPNDOSA-N 2 0 347.503 2.424 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](Cc1cnc(C)o1)CC2 ZINC001479986589 1099446200 /nfs/dbraw/zinc/44/62/00/1099446200.db2.gz MNPJDZNZQNWJAS-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001480060244 1099584211 /nfs/dbraw/zinc/58/42/11/1099584211.db2.gz LZUCPRJYPZQTOF-LJQANCHMSA-N 2 0 341.499 2.384 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001480078548 1099622782 /nfs/dbraw/zinc/62/27/82/1099622782.db2.gz URRNWTBOVFJHRE-SJORKVTESA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480166319 1099741737 /nfs/dbraw/zinc/74/17/37/1099741737.db2.gz OKDQBTVBXLACDL-KBRIMQKVSA-N 2 0 325.472 2.093 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCc3cccs3)C2)C1 ZINC001480263238 1099949148 /nfs/dbraw/zinc/94/91/48/1099949148.db2.gz MAQQCXFSEIQHDC-DLBZAZTESA-N 2 0 349.544 2.461 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]C/C=C\Cl)C12CCC[NH+]1CCC2 ZINC001480352492 1100122124 /nfs/dbraw/zinc/12/21/24/1100122124.db2.gz WTFSIUSUXLXHNH-HMZQOCAUSA-N 2 0 325.884 2.338 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383565 1100179151 /nfs/dbraw/zinc/17/91/51/1100179151.db2.gz QAVUIFIQUUXALL-IRXDYDNUSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)C[C@H](C)n3ccnc3)CC2)co1 ZINC001480408867 1100224888 /nfs/dbraw/zinc/22/48/88/1100224888.db2.gz ZDPLBBIFLBEZRM-JEYLPNPQSA-N 2 0 345.447 2.348 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1oc(CC)nc1C ZINC001480471138 1100277955 /nfs/dbraw/zinc/27/79/55/1100277955.db2.gz AHQJEBHDHBBPSG-ZFWWWQNUSA-N 2 0 336.480 2.014 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCCC1 ZINC001496319051 1100912004 /nfs/dbraw/zinc/91/20/04/1100912004.db2.gz XKENXHUWBLEKDH-SNWBSQOPSA-N 2 0 327.900 2.488 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001496367579 1100960561 /nfs/dbraw/zinc/96/05/61/1100960561.db2.gz DZMLLQWMJLGTEI-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001496463643 1101055981 /nfs/dbraw/zinc/05/59/81/1101055981.db2.gz TUAHOKHTXZPOQB-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001496465067 1101056594 /nfs/dbraw/zinc/05/65/94/1101056594.db2.gz WWMXOSPFPBDZIZ-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001495475112 1101186560 /nfs/dbraw/zinc/18/65/60/1101186560.db2.gz XRQGBGQBQPDDOU-SHTZXODSSA-N 2 0 338.521 2.392 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCCF)CCC2(F)F)CC1 ZINC001446727770 1101301374 /nfs/dbraw/zinc/30/13/74/1101301374.db2.gz QQDXBVZHYQPXSO-OAHLLOKOSA-N 2 0 349.441 2.151 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001495718991 1101481040 /nfs/dbraw/zinc/48/10/40/1101481040.db2.gz UAFMEZLTPLEHQW-SJLPKXTDSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1nccn1CC(=O)N(C)CCN(C)Cc1cc(C)ccc1F ZINC001496835462 1101564142 /nfs/dbraw/zinc/56/41/42/1101564142.db2.gz KDRYHLMWVIINDX-UHFFFAOYSA-N 2 0 332.423 2.229 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001495815688 1101634960 /nfs/dbraw/zinc/63/49/60/1101634960.db2.gz RLSRXXFQRJFSMN-KGLIPLIRSA-N 2 0 337.430 2.401 10 0 EEAERP CC[C@@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001446959415 1101662074 /nfs/dbraw/zinc/66/20/74/1101662074.db2.gz VAFHOSHKGRRQFD-HSFUPAIVSA-N 2 0 339.499 2.436 10 0 EEAERP COCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001496888188 1101670206 /nfs/dbraw/zinc/67/02/06/1101670206.db2.gz CYJIGMWQQQCEIB-DOTOQJQBSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](C[NH2+]Cc1c(F)cccc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496083673 1102029927 /nfs/dbraw/zinc/02/99/27/1102029927.db2.gz WBSHASKEWCICTB-CYBMUJFWSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1 ZINC001496097579 1102053293 /nfs/dbraw/zinc/05/32/93/1102053293.db2.gz IDTXUWOIFOGFTM-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001497185389 1102091249 /nfs/dbraw/zinc/09/12/49/1102091249.db2.gz GEJSTTBQOUCYIC-GOEBONIOSA-N 2 0 348.491 2.409 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001447162946 1102116021 /nfs/dbraw/zinc/11/60/21/1102116021.db2.gz NHSLFGMSUMBRTO-OAGGEKHMSA-N 2 0 343.462 2.439 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2conc2C)C1 ZINC001496142468 1102128409 /nfs/dbraw/zinc/12/84/09/1102128409.db2.gz AVBPWDIRBVXAPZ-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](CC[NH2+]CCOc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219771 1102144388 /nfs/dbraw/zinc/14/43/88/1102144388.db2.gz KHMOSEYYYGNPIO-KRWDZBQOSA-N 2 0 345.487 2.178 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001497278742 1102241822 /nfs/dbraw/zinc/24/18/22/1102241822.db2.gz YBBQZEMDZGROJS-QGZVFWFLSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001497296153 1102270062 /nfs/dbraw/zinc/27/00/62/1102270062.db2.gz ASVDPHLMTXIIAE-QGZVFWFLSA-N 2 0 332.492 2.106 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1cnc(C)cn1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497500564 1102588557 /nfs/dbraw/zinc/58/85/57/1102588557.db2.gz IOSSHFUYLULUIX-WMZOPIPTSA-N 2 0 347.507 2.159 10 0 EEAERP CCC1([NH2+]Cc2ccns2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001447413374 1102612414 /nfs/dbraw/zinc/61/24/14/1102612414.db2.gz LLWSJBNWQQPZFC-OAHLLOKOSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1c(C(=O)NC2(C[NH2+]CC(C)C)CCOCC2)ccc2c[nH+]cn21 ZINC001447475060 1102719185 /nfs/dbraw/zinc/71/91/85/1102719185.db2.gz RHWXHWKTWMEODM-UHFFFAOYSA-N 2 0 344.459 2.167 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001497601306 1102730143 /nfs/dbraw/zinc/73/01/43/1102730143.db2.gz KJOCJRCZHSISEJ-SZZPACECSA-N 2 0 344.912 2.145 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCOCC1 ZINC001447493766 1102744538 /nfs/dbraw/zinc/74/45/38/1102744538.db2.gz RREIOPGNTQNPMD-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]CCC(F)(F)F)CC2)CC1 ZINC001447545836 1102833934 /nfs/dbraw/zinc/83/39/34/1102833934.db2.gz ARQWYICGVSBGQV-UHFFFAOYSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001497675035 1102880713 /nfs/dbraw/zinc/88/07/13/1102880713.db2.gz MWBJESHAAXAMCA-BWPKMQGJSA-N 2 0 333.451 2.491 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001447571814 1102889293 /nfs/dbraw/zinc/88/92/93/1102889293.db2.gz TZYNGWVQPSPAHM-SUMWQHHRSA-N 2 0 339.430 2.242 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]Cc3ccc(F)cc3)C2)CC1 ZINC001447802942 1103365579 /nfs/dbraw/zinc/36/55/79/1103365579.db2.gz BHKVZOGMDOHQBD-UHFFFAOYSA-N 2 0 333.451 2.152 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497943226 1103384243 /nfs/dbraw/zinc/38/42/43/1103384243.db2.gz PLMIBNHGESFXAM-CRAIPNDOSA-N 2 0 347.503 2.271 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001447907364 1103567300 /nfs/dbraw/zinc/56/73/00/1103567300.db2.gz LJQDCOMSLLDCPV-HZPDHXFCSA-N 2 0 339.524 2.160 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447915960 1103588014 /nfs/dbraw/zinc/58/80/14/1103588014.db2.gz XNZLWCJHTVAJLW-HUUCEWRRSA-N 2 0 333.476 2.041 10 0 EEAERP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001447968788 1103701542 /nfs/dbraw/zinc/70/15/42/1103701542.db2.gz RSJURDRRCYVMMN-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCOCC1 ZINC001448104961 1104011733 /nfs/dbraw/zinc/01/17/33/1104011733.db2.gz SEXJZXZQVZOGMI-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccns1 ZINC001495069248 1104708982 /nfs/dbraw/zinc/70/89/82/1104708982.db2.gz SVNPRVXQCZJDFJ-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001480769213 1107079792 /nfs/dbraw/zinc/07/97/92/1107079792.db2.gz NPNHSBMZPNPOFL-AEFFLSMTSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Cl ZINC001480790436 1107122313 /nfs/dbraw/zinc/12/23/13/1107122313.db2.gz OXUUTBMDECMCPZ-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccon1 ZINC001480822982 1107192736 /nfs/dbraw/zinc/19/27/36/1107192736.db2.gz DRGPRYIMSKLIMJ-ZWKOTPCHSA-N 2 0 348.491 2.410 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C2([NH+](C)C)CCC2)on1 ZINC001480826319 1107206695 /nfs/dbraw/zinc/20/66/95/1107206695.db2.gz PLFOWJLHJFEQEX-INIZCTEOSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCOCC1 ZINC001498299901 1107244730 /nfs/dbraw/zinc/24/47/30/1107244730.db2.gz NFNPEUMYJKRNPW-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498324081 1107293608 /nfs/dbraw/zinc/29/36/08/1107293608.db2.gz APJKQVYKDOEQNI-VQIMIIECSA-N 2 0 346.519 2.447 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CCC(F)(F)F ZINC001493044314 1107381532 /nfs/dbraw/zinc/38/15/32/1107381532.db2.gz ZTINSTFHWBRRTG-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001498416703 1107485679 /nfs/dbraw/zinc/48/56/79/1107485679.db2.gz AFMXNOALWYLNMI-MRXNPFEDSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001498597812 1107782882 /nfs/dbraw/zinc/78/28/82/1107782882.db2.gz OQYJPHUSOATOBF-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](CC1CC(F)(F)C1)C1CC1 ZINC001493379572 1108027944 /nfs/dbraw/zinc/02/79/44/1108027944.db2.gz GSKVBLIMNDRPCN-HNNXBMFYSA-N 2 0 343.462 2.487 10 0 EEAERP CN(CC[NH2+]Cc1ncc(-c2ccccc2)s1)C(=O)CC[NH+](C)C ZINC001493681112 1108499298 /nfs/dbraw/zinc/49/92/98/1108499298.db2.gz AWUYQXCPYZGFSU-UHFFFAOYSA-N 2 0 346.500 2.310 10 0 EEAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493725361 1108572207 /nfs/dbraw/zinc/57/22/07/1108572207.db2.gz KNADKPKKUQXYRS-STQMWFEESA-N 2 0 334.291 2.370 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493762066 1108636773 /nfs/dbraw/zinc/63/67/73/1108636773.db2.gz PRJHTRGBGAUKAP-QZTJIDSGSA-N 2 0 347.503 2.234 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC001493806024 1108686209 /nfs/dbraw/zinc/68/62/09/1108686209.db2.gz DIVCVVWWFIKKOF-UHFFFAOYSA-N 2 0 325.884 2.271 10 0 EEAERP CCOCCC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493828963 1108710840 /nfs/dbraw/zinc/71/08/40/1108710840.db2.gz BYLCJXQWPIPXEP-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1ccc(F)cc1 ZINC001499227879 1112188973 /nfs/dbraw/zinc/18/89/73/1112188973.db2.gz APYGSMUFUAJHFH-KDOFPFPSSA-N 2 0 345.462 2.467 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001499577455 1112383532 /nfs/dbraw/zinc/38/35/32/1112383532.db2.gz VXILCKVNDMXOCB-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncc(C[NH+]2CCC3(CCN(C(=O)C[N@@H+](C)C(C)C)C3)CC2)o1 ZINC001499590321 1112393788 /nfs/dbraw/zinc/39/37/88/1112393788.db2.gz UIZNOIYHOHLAIT-UHFFFAOYSA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)=CC[NH+]1CCC2(CO[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001500018662 1112581185 /nfs/dbraw/zinc/58/11/85/1112581185.db2.gz MJFRJOVKSWAOAE-SFHVURJKSA-N 2 0 349.519 2.036 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](Cc2cncs2)C1 ZINC001500543110 1112933253 /nfs/dbraw/zinc/93/32/53/1112933253.db2.gz RPHWIXOVWHBQSO-QGZVFWFLSA-N 2 0 338.521 2.203 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001501133138 1113210424 /nfs/dbraw/zinc/21/04/24/1113210424.db2.gz SUMVKJRCPVBRSB-WBVHZDCISA-N 2 0 335.467 2.352 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCCF ZINC001501153014 1113217160 /nfs/dbraw/zinc/21/71/60/1113217160.db2.gz JCCUHFXXRZYLNN-DLBZAZTESA-N 2 0 327.488 2.296 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001501581908 1113390158 /nfs/dbraw/zinc/39/01/58/1113390158.db2.gz NARNCVMCGSQGLT-HQOGMNCSSA-N 2 0 339.911 2.443 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2COC3(C[NH+](CCC4CCCC4)C3)C2)CCC1 ZINC001502458405 1113691328 /nfs/dbraw/zinc/69/13/28/1113691328.db2.gz XHNCIJWUOQDPKJ-KRWDZBQOSA-N 2 0 349.519 2.011 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001505452979 1113986247 /nfs/dbraw/zinc/98/62/47/1113986247.db2.gz ROFQBXOQADMNNM-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCOC1CCC1 ZINC001505606615 1114081992 /nfs/dbraw/zinc/08/19/92/1114081992.db2.gz UUCXEVUPBLCLLA-HOTGVXAUSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505922588 1114278797 /nfs/dbraw/zinc/27/87/97/1114278797.db2.gz PUDQQHOKTVTGBL-YXJHDRRASA-N 2 0 349.523 2.049 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccccn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001506940608 1114989809 /nfs/dbraw/zinc/98/98/09/1114989809.db2.gz IURYYUJECFLTIC-MRXNPFEDSA-N 2 0 332.492 2.188 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)s1 ZINC001507095890 1115105673 /nfs/dbraw/zinc/10/56/73/1115105673.db2.gz KGAMXFYVZIBDOX-CYBMUJFWSA-N 2 0 336.505 2.016 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001507129522 1115123472 /nfs/dbraw/zinc/12/34/72/1115123472.db2.gz JHAJAMZHVSQDLK-IRXDYDNUSA-N 2 0 327.513 2.112 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001507152286 1115136224 /nfs/dbraw/zinc/13/62/24/1115136224.db2.gz BMECXUTXOLCQLY-RHSMWYFYSA-N 2 0 328.460 2.056 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001507292432 1115177474 /nfs/dbraw/zinc/17/74/74/1115177474.db2.gz JJMGNLXLSXHNQW-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C1 ZINC001507451314 1115276713 /nfs/dbraw/zinc/27/67/13/1115276713.db2.gz OZFMEMHRWFSBQY-LBPRGKRZSA-N 2 0 336.307 2.474 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001507410944 1115256090 /nfs/dbraw/zinc/25/60/90/1115256090.db2.gz PLABSXIKFOBTCC-ZFWWWQNUSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001507412289 1115256910 /nfs/dbraw/zinc/25/69/10/1115256910.db2.gz VGYWNUMAHPAQRK-CABCVRRESA-N 2 0 336.480 2.124 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3F)C(C)(C)C2)CC1 ZINC001507442244 1115271287 /nfs/dbraw/zinc/27/12/87/1115271287.db2.gz GRROXONPFFOELU-QGZVFWFLSA-N 2 0 347.478 2.494 10 0 EEAERP CC(C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001508087718 1115416830 /nfs/dbraw/zinc/41/68/30/1115416830.db2.gz QVNUUGWRBGUYRZ-QWHCGFSZSA-N 2 0 335.414 2.106 10 0 EEAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CCOC2CCC2)C1 ZINC001508156214 1115429573 /nfs/dbraw/zinc/42/95/73/1115429573.db2.gz WLIBGLGHMNXTTG-UHFFFAOYSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC1([NH+](C)C)CCCC1 ZINC001511898899 1118310502 /nfs/dbraw/zinc/31/05/02/1118310502.db2.gz ORRUJGWIKYCCTR-QGZVFWFLSA-N 2 0 346.523 2.135 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001567929171 1124188384 /nfs/dbraw/zinc/18/83/84/1124188384.db2.gz XZJNVDPRBWPQIG-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCCF ZINC001567958831 1124204581 /nfs/dbraw/zinc/20/45/81/1124204581.db2.gz VDXPFOQPGMBXQX-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)ccc1C ZINC001567989775 1124218652 /nfs/dbraw/zinc/21/86/52/1124218652.db2.gz UAOXAHCXAPGVQJ-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3ccccn3)C2)CC[N@@H+]1C ZINC001568056790 1124261551 /nfs/dbraw/zinc/26/15/51/1124261551.db2.gz KXEVTSIBZPGTQS-ZHALLVOQSA-N 2 0 344.503 2.140 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC001568091543 1124295173 /nfs/dbraw/zinc/29/51/73/1124295173.db2.gz CBKAKSVTNGISPT-UHFFFAOYSA-N 2 0 332.492 2.142 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1 ZINC001568097722 1124301106 /nfs/dbraw/zinc/30/11/06/1124301106.db2.gz JAWYPLPCOKPWTC-UHFFFAOYSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCOC2CCC2)cc1 ZINC001568116228 1124311622 /nfs/dbraw/zinc/31/16/22/1124311622.db2.gz GUSLSMMOQFXSBI-IBGZPJMESA-N 2 0 345.487 2.056 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]C/C=C\Cl)C1 ZINC001568397187 1124467840 /nfs/dbraw/zinc/46/78/40/1124467840.db2.gz UZPXEEBPTTWNNK-FXIPVCQGSA-N 2 0 327.900 2.442 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001568669727 1124684203 /nfs/dbraw/zinc/68/42/03/1124684203.db2.gz VBYDHMRBLPKORI-BQFCYCMXSA-N 2 0 347.503 2.410 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568852507 1124873237 /nfs/dbraw/zinc/87/32/37/1124873237.db2.gz WKQKYSPRPRPLLZ-WUUFJKRQSA-N 2 0 341.499 2.353 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001568964229 1124999495 /nfs/dbraw/zinc/99/94/95/1124999495.db2.gz PJAWXWOYJDLPLB-WUQVOKHBSA-N 2 0 331.435 2.027 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001569202990 1125161225 /nfs/dbraw/zinc/16/12/25/1125161225.db2.gz MLSCNLZHNMPMAA-OXQOHEQNSA-N 2 0 343.515 2.454 10 0 EEAERP CO[C@H](C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001569236211 1125185388 /nfs/dbraw/zinc/18/53/88/1125185388.db2.gz OPXKJPFKERZUJB-LJQANCHMSA-N 2 0 347.503 2.154 10 0 EEAERP CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569267300 1125206822 /nfs/dbraw/zinc/20/68/22/1125206822.db2.gz QSKOZZYNDDAEOX-SFHVURJKSA-N 2 0 340.471 2.125 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001569269858 1125208704 /nfs/dbraw/zinc/20/87/04/1125208704.db2.gz FYDQXWSSWGZZOX-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N(C)C1CC[NH+](C)CC1 ZINC000051434902 214094116 /nfs/dbraw/zinc/09/41/16/214094116.db2.gz GLMHTSZWURQCJW-UHFFFAOYSA-N 2 0 327.270 2.094 10 0 EEAERP C[NH2+][C@@H](CCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000053937655 214206075 /nfs/dbraw/zinc/20/60/75/214206075.db2.gz UJAWUZZRADLONW-HNNXBMFYSA-N 2 0 326.282 2.347 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000183427334 529799450 /nfs/dbraw/zinc/79/94/50/529799450.db2.gz YUXNFQBTCNWVLZ-KRWDZBQOSA-N 2 0 330.407 2.319 10 0 EEAERP CC[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C[C@H](C)O ZINC000248555761 539680851 /nfs/dbraw/zinc/68/08/51/539680851.db2.gz ICKCQIWOBAZYQX-QFBILLFUSA-N 2 0 337.483 2.035 10 0 EEAERP C[C@H]1CN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cn2)C[C@H](C)O1 ZINC000422886009 290893205 /nfs/dbraw/zinc/89/32/05/290893205.db2.gz VNZVFRJRNYNVTK-WMTDPASSSA-N 2 0 332.492 2.302 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000270511832 283049594 /nfs/dbraw/zinc/04/95/94/283049594.db2.gz LMPMTHKXAYQLLG-RTBURBONSA-N 2 0 342.487 2.312 10 0 EEAERP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000187141872 236128685 /nfs/dbraw/zinc/12/86/85/236128685.db2.gz NHPAMXODRXLIHR-NVXWUHKLSA-N 2 0 338.467 2.449 10 0 EEAERP C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000425998669 241199575 /nfs/dbraw/zinc/19/95/75/241199575.db2.gz KXRLWZPECVHYHJ-AEFFLSMTSA-N 2 0 331.504 2.420 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000447040969 242241692 /nfs/dbraw/zinc/24/16/92/242241692.db2.gz WRONNAROOUZWDT-MAUKXSAKSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@]1(c2ccccc2)CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000446715477 242215457 /nfs/dbraw/zinc/21/54/57/242215457.db2.gz CHRMOKCFNPQXHQ-NRFANRHFSA-N 2 0 341.499 2.393 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093134901 218196641 /nfs/dbraw/zinc/19/66/41/218196641.db2.gz VZPGZAZPUPNWST-MRXNPFEDSA-N 2 0 347.507 2.328 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119139024 292241990 /nfs/dbraw/zinc/24/19/90/292241990.db2.gz IIVDVOOQZPQHND-HIEASXQVSA-N 2 0 336.524 2.375 10 0 EEAERP CCCn1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000354025206 153062546 /nfs/dbraw/zinc/06/25/46/153062546.db2.gz ACMXFJZADGAWOR-UHFFFAOYSA-N 2 0 333.524 2.284 10 0 EEAERP C[NH+](C)C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000128206490 292338100 /nfs/dbraw/zinc/33/81/00/292338100.db2.gz UQCMOAKYKCBUJK-LJQANCHMSA-N 2 0 333.520 2.407 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105133853 159296766 /nfs/dbraw/zinc/29/67/66/159296766.db2.gz ORHKNIBBKFPQQL-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000184602303 160012001 /nfs/dbraw/zinc/01/20/01/160012001.db2.gz FXROHHSTQINWSF-LJQANCHMSA-N 2 0 347.503 2.295 10 0 EEAERP C[N@H+]1C[C@H]2CN([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@H]2C1 ZINC000193645436 160184815 /nfs/dbraw/zinc/18/48/15/160184815.db2.gz LHQFEHGVIUCEKG-BFQNTYOBSA-N 2 0 337.826 2.078 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437961 160235580 /nfs/dbraw/zinc/23/55/80/160235580.db2.gz RVIYOSRQJQHJMD-YOEHRIQHSA-N 2 0 349.475 2.304 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245968261 160259110 /nfs/dbraw/zinc/25/91/10/160259110.db2.gz ZIBZRUOGZMRLHM-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000246836159 160296492 /nfs/dbraw/zinc/29/64/92/160296492.db2.gz BYCHNVBTHPUJAX-CABCVRRESA-N 2 0 339.505 2.441 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000247083796 160309747 /nfs/dbraw/zinc/30/97/47/160309747.db2.gz TUOGMLAQXJQFHQ-WMZOPIPTSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248133500 160338971 /nfs/dbraw/zinc/33/89/71/160338971.db2.gz OSTPFKIXQCZDSU-IPMKNSEASA-N 2 0 329.488 2.102 10 0 EEAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423442711 298391953 /nfs/dbraw/zinc/39/19/53/298391953.db2.gz VGVQKGKRJABIJR-NEPJUHHUSA-N 2 0 330.270 2.106 10 0 EEAERP C[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000360871590 164394187 /nfs/dbraw/zinc/39/41/87/164394187.db2.gz KBJKXAJXYVQLLV-GOSISDBHSA-N 2 0 329.488 2.105 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000368168255 166062454 /nfs/dbraw/zinc/06/24/54/166062454.db2.gz SKIOQGFGLBKHRI-PKOBYXMFSA-N 2 0 333.451 2.419 10 0 EEAERP CC(C)C[C@H]([NH2+]CC1=Cc2ccccc2OC1)C(=O)NCC[NH+](C)C ZINC000157322092 292567225 /nfs/dbraw/zinc/56/72/25/292567225.db2.gz UBYAEVFMOFKYJR-SFHVURJKSA-N 2 0 345.487 2.145 10 0 EEAERP CC(C)[C@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274618832 269041392 /nfs/dbraw/zinc/04/13/92/269041392.db2.gz TTZSENFNGXQTNL-QZTJIDSGSA-N 2 0 330.476 2.002 10 0 EEAERP CN(C)C(=O)CC[NH+]1CCN(c2ccnc3c(Cl)cccc23)CC1 ZINC000287987616 275012478 /nfs/dbraw/zinc/01/24/78/275012478.db2.gz VEFXUFOAMTVPLI-UHFFFAOYSA-N 2 0 346.862 2.489 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000292030463 275365884 /nfs/dbraw/zinc/36/58/84/275365884.db2.gz CSLRUZAYOYSFLV-UHFFFAOYSA-N 2 0 333.476 2.014 10 0 EEAERP C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292179628 275389064 /nfs/dbraw/zinc/38/90/64/275389064.db2.gz QLCVNBADYQMTPS-KBXCAEBGSA-N 2 0 333.501 2.049 10 0 EEAERP CCN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000105862380 276298739 /nfs/dbraw/zinc/29/87/39/276298739.db2.gz JLEJCFGXZLZWPD-KRWDZBQOSA-N 2 0 347.503 2.064 10 0 EEAERP C[NH+](C)CC1(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000185890881 282072784 /nfs/dbraw/zinc/07/27/84/282072784.db2.gz JOBRDTOCGDZOLS-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353400587 290216462 /nfs/dbraw/zinc/21/64/62/290216462.db2.gz FWEGIJLVTXWMSL-GBESFXJTSA-N 2 0 335.536 2.484 10 0 EEAERP COc1cccc([C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)[NH+](C)C)c1 ZINC000261632925 295314706 /nfs/dbraw/zinc/31/47/06/295314706.db2.gz HORAMVUNBQQMIC-IAGOWNOFSA-N 2 0 333.476 2.192 10 0 EEAERP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000414476950 313032010 /nfs/dbraw/zinc/03/20/10/313032010.db2.gz AQFDNSLAQGYALH-PKOBYXMFSA-N 2 0 335.536 2.365 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000417008628 313392325 /nfs/dbraw/zinc/39/23/25/313392325.db2.gz MFCHNJYJFMRRDW-FVQBIDKESA-N 2 0 338.521 2.428 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418550575 313843597 /nfs/dbraw/zinc/84/35/97/313843597.db2.gz LEJXUVGPGZDLCK-LPHOPBHVSA-N 2 0 344.503 2.290 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2([S@](C)=O)CC2)CC1 ZINC000441382957 315183734 /nfs/dbraw/zinc/18/37/34/315183734.db2.gz OLKXLSOAQORFMZ-DEOSSOPVSA-N 2 0 349.544 2.219 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000563522324 319018818 /nfs/dbraw/zinc/01/88/18/319018818.db2.gz VOUNUELXWVFCGN-WZOJCFFYSA-N 2 0 342.487 2.140 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)CCCC[NH+](C)C)CC1 ZINC000565908824 319226052 /nfs/dbraw/zinc/22/60/52/319226052.db2.gz QRWXSZACLBZQCE-UHFFFAOYSA-N 2 0 332.492 2.499 10 0 EEAERP CN1CCN(C(=O)CCCc2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000575801520 320115180 /nfs/dbraw/zinc/11/51/80/320115180.db2.gz XNHUTACDWANASP-SFHVURJKSA-N 2 0 331.504 2.408 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000576211244 320150976 /nfs/dbraw/zinc/15/09/76/320150976.db2.gz LHAAGCRAVJRSBN-GOSISDBHSA-N 2 0 330.476 2.081 10 0 EEAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000577095448 320232104 /nfs/dbraw/zinc/23/21/04/320232104.db2.gz PRDIFUGJXFKTBY-IVMQYODDSA-N 2 0 344.503 2.210 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000182682711 323384404 /nfs/dbraw/zinc/38/44/04/323384404.db2.gz YANDSRQTWCBBNR-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[C@@H]1CN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1CCOC ZINC000580315290 324038763 /nfs/dbraw/zinc/03/87/63/324038763.db2.gz BHGHEISAPIDQLC-FGTMMUONSA-N 2 0 339.524 2.243 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)CC[NH2+]C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000581380126 324242294 /nfs/dbraw/zinc/24/22/94/324242294.db2.gz IXGXMUVJKNBEJP-ICSRJNTNSA-N 2 0 343.471 2.231 10 0 EEAERP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582064924 324371633 /nfs/dbraw/zinc/37/16/33/324371633.db2.gz VACFGDDARPVHIF-MOPGFXCFSA-N 2 0 327.472 2.346 10 0 EEAERP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)no1 ZINC000608315797 449805267 /nfs/dbraw/zinc/80/52/67/449805267.db2.gz UHCGRBJZUCWBNE-AWEZNQCLSA-N 2 0 337.468 2.117 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000177397557 465005027 /nfs/dbraw/zinc/00/50/27/465005027.db2.gz CZRMIGFYKWNCHV-FGTMMUONSA-N 2 0 338.540 2.480 10 0 EEAERP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000568202563 468295953 /nfs/dbraw/zinc/29/59/53/468295953.db2.gz QJDJSNCESXMCTO-LPHOPBHVSA-N 2 0 345.487 2.290 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000062647025 462621755 /nfs/dbraw/zinc/62/17/55/462621755.db2.gz KSZPHJWSMXPSSK-LPHOPBHVSA-N 2 0 344.503 2.217 10 0 EEAERP CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000568288711 468316176 /nfs/dbraw/zinc/31/61/76/468316176.db2.gz IBALUNKWMFXCBG-SZMVWBNQSA-N 2 0 330.476 2.215 10 0 EEAERP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000155209548 462860301 /nfs/dbraw/zinc/86/03/01/462860301.db2.gz LZGKFWQQRCSZBR-ZHALLVOQSA-N 2 0 329.488 2.450 10 0 EEAERP C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000067734320 463044583 /nfs/dbraw/zinc/04/45/83/463044583.db2.gz ULZRTVPCXUSOLQ-LJQANCHMSA-N 2 0 344.503 2.435 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000069418144 463243929 /nfs/dbraw/zinc/24/39/29/463243929.db2.gz CHHHNSVSWJNSNW-UHFFFAOYSA-N 2 0 332.366 2.379 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC000069621017 463288922 /nfs/dbraw/zinc/28/89/22/463288922.db2.gz AXUJQZNEUDWFQH-CQSZACIVSA-N 2 0 326.868 2.401 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000105166015 463441379 /nfs/dbraw/zinc/44/13/79/463441379.db2.gz YXOYDHVCECMCFI-MSOLQXFVSA-N 2 0 348.466 2.308 10 0 EEAERP Cc1ncc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)n1C ZINC000579496096 468369652 /nfs/dbraw/zinc/36/96/52/468369652.db2.gz XASAABSUZACJCD-OAHLLOKOSA-N 2 0 338.249 2.488 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000170829559 463715808 /nfs/dbraw/zinc/71/58/08/463715808.db2.gz UZOLTFGKZSSSQQ-OALUTQOASA-N 2 0 346.519 2.285 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000262066037 463937497 /nfs/dbraw/zinc/93/74/97/463937497.db2.gz RPZGTTJUGCLPCF-LJQANCHMSA-N 2 0 334.427 2.117 10 0 EEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262379714 464014588 /nfs/dbraw/zinc/01/45/88/464014588.db2.gz WXSRZEINDYNUOB-INIZCTEOSA-N 2 0 345.487 2.084 10 0 EEAERP Cc1n[nH]c(C)c1C[NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000225207893 464154510 /nfs/dbraw/zinc/15/45/10/464154510.db2.gz VBGSHYJKPAEUGZ-IBGZPJMESA-N 2 0 327.476 2.105 10 0 EEAERP C[C@H](C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000284440801 464192954 /nfs/dbraw/zinc/19/29/54/464192954.db2.gz RWZYJOWHGSHKMY-NZSAHSFTSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000181065773 464440352 /nfs/dbraw/zinc/44/03/52/464440352.db2.gz IESNVEAOFXBOTF-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[N@@H+]1C1CC1 ZINC000246303724 464570296 /nfs/dbraw/zinc/57/02/96/464570296.db2.gz LUCMONANMCPZAJ-SOLBZPMBSA-N 2 0 334.508 2.272 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000246378387 464577763 /nfs/dbraw/zinc/57/77/63/464577763.db2.gz ZGFYCEPLOJZJNJ-GPQLOAJWSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(C)nc3sccn3c2=O)[C@H](C)C1 ZINC000285502222 464586833 /nfs/dbraw/zinc/58/68/33/464586833.db2.gz FEYZLXPGZICCGN-CJNGLKHVSA-N 2 0 348.516 2.269 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246613772 464605033 /nfs/dbraw/zinc/60/50/33/464605033.db2.gz LVJWXECSBSQCME-SJORKVTESA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]1CN(Cc2cccc(NC(=O)Cc3cncn3C)c2)C[C@@H](C)O1 ZINC000554514601 468412244 /nfs/dbraw/zinc/41/22/44/468412244.db2.gz APYINQJURISXRD-HUUCEWRRSA-N 2 0 342.443 2.211 10 0 EEAERP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190484526 464656161 /nfs/dbraw/zinc/65/61/61/464656161.db2.gz RSDWWPUKMKBUEO-SFHVURJKSA-N 2 0 327.476 2.386 10 0 EEAERP CCC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000248597643 464769408 /nfs/dbraw/zinc/76/94/08/464769408.db2.gz MWWVQPWKLSTFGP-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCc1ccc(CNC(=O)CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266707226 464794140 /nfs/dbraw/zinc/79/41/40/464794140.db2.gz DWYPDDVZXMBOGL-UHFFFAOYSA-N 2 0 342.443 2.052 10 0 EEAERP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3[C@H](c4ccccc4)[NH+](C)C[C@H]3C2)C1=O ZINC000252485819 464963682 /nfs/dbraw/zinc/96/36/82/464963682.db2.gz AQVTVSASNWJNCQ-VJANTYMQSA-N 2 0 327.472 2.230 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000253356465 464992745 /nfs/dbraw/zinc/99/27/45/464992745.db2.gz RHFQRZQLMKXKCP-LSDHHAIUSA-N 2 0 336.505 2.278 10 0 EEAERP CCc1nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c(C)o1 ZINC000351783280 465359116 /nfs/dbraw/zinc/35/91/16/465359116.db2.gz RGIBBAJSBDKJJU-OAHLLOKOSA-N 2 0 336.480 2.034 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000353288113 465773123 /nfs/dbraw/zinc/77/31/23/465773123.db2.gz GFACRDQPAHICSS-UAFMIMERSA-N 2 0 337.552 2.445 10 0 EEAERP C[C@H]([NH2+]C[C@]1(CCO)CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357239930 465884271 /nfs/dbraw/zinc/88/42/71/465884271.db2.gz UHFHEOLDNNKNSM-IHPCNDPISA-N 2 0 332.488 2.276 10 0 EEAERP CC(C)[NH+](CC1(C[N@@H+](C(C)C)[C@H]2CCOC2)COC1)[C@@H]1CCOC1 ZINC000361408597 465970514 /nfs/dbraw/zinc/97/05/14/465970514.db2.gz OUXHQEOLVOQDFX-HDICACEKSA-N 2 0 340.508 2.002 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-n2ccnc2)cs1 ZINC000349282432 466048473 /nfs/dbraw/zinc/04/84/73/466048473.db2.gz QJKAFCSSWUPBSP-UHFFFAOYSA-N 2 0 333.505 2.003 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000340570912 466179014 /nfs/dbraw/zinc/17/90/14/466179014.db2.gz BPXHNWKFYZAWBY-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000338899315 466469271 /nfs/dbraw/zinc/46/92/71/466469271.db2.gz GAWYFLUVKBZJQM-UHFFFAOYSA-N 2 0 346.519 2.242 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358184908 466521925 /nfs/dbraw/zinc/52/19/25/466521925.db2.gz HKMDWGKCTMZRPQ-SFHVURJKSA-N 2 0 336.524 2.450 10 0 EEAERP CN(Cc1ccco1)C(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000362104179 466559048 /nfs/dbraw/zinc/55/90/48/466559048.db2.gz BWXLRMHSGRBLHG-INIZCTEOSA-N 2 0 345.487 2.434 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423290496 466710341 /nfs/dbraw/zinc/71/03/41/466710341.db2.gz DHBHVBLJHOEZOD-KBPBESRZSA-N 2 0 347.484 2.465 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000417025085 466757673 /nfs/dbraw/zinc/75/76/73/466757673.db2.gz XNNJAXOIRLFTLO-QZTJIDSGSA-N 2 0 332.492 2.496 10 0 EEAERP Fc1cncc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)c1 ZINC000423516763 466763086 /nfs/dbraw/zinc/76/30/86/466763086.db2.gz XLJDCAWJLOLDLI-ACBHZAAOSA-N 2 0 332.467 2.478 10 0 EEAERP O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662252208 472043530 /nfs/dbraw/zinc/04/35/30/472043530.db2.gz MGTQHDPGQWYWSB-FQEVSTJZSA-N 2 0 335.451 2.396 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[NH+](C)C)cc1 ZINC000417318963 466832777 /nfs/dbraw/zinc/83/27/77/466832777.db2.gz ZWINQZGYSGCWFY-CEXWTWQISA-N 2 0 344.503 2.239 10 0 EEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417560315 466883311 /nfs/dbraw/zinc/88/33/11/466883311.db2.gz ZQLAHWZHKVZBCM-FGTMMUONSA-N 2 0 336.524 2.282 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000417845924 466954512 /nfs/dbraw/zinc/95/45/12/466954512.db2.gz IYRVFTQGBODONK-QZTJIDSGSA-N 2 0 332.492 2.072 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000417870622 466964266 /nfs/dbraw/zinc/96/42/66/466964266.db2.gz IWWJWNPMJIZCKI-GDAAHCPNSA-N 2 0 342.487 2.185 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952018 467001058 /nfs/dbraw/zinc/00/10/58/467001058.db2.gz ZLEBBAUCYRGROR-GLQYFDAESA-N 2 0 342.846 2.261 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993744 467014549 /nfs/dbraw/zinc/01/45/49/467014549.db2.gz OHCIMQHFODJHHN-BDXSIMOUSA-N 2 0 348.535 2.280 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424332354 467030096 /nfs/dbraw/zinc/03/00/96/467030096.db2.gz VCGCTASODNSFNA-QRQLOZEOSA-N 2 0 329.488 2.355 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418138574 467055766 /nfs/dbraw/zinc/05/57/66/467055766.db2.gz GMACNJGNTVCFEW-ROUUACIJSA-N 2 0 334.508 2.319 10 0 EEAERP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)[NH+](C)C ZINC000418184260 467068434 /nfs/dbraw/zinc/06/84/34/467068434.db2.gz PRIVHVQQKPNQCV-OWLYRPNTSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418568260 467129778 /nfs/dbraw/zinc/12/97/78/467129778.db2.gz HCIMYKQTIJRBHJ-AEFFLSMTSA-N 2 0 336.524 2.282 10 0 EEAERP O[C@H](CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000379651469 467369887 /nfs/dbraw/zinc/36/98/87/467369887.db2.gz UNSUOZQXYMQTHO-WOJBJXKFSA-N 2 0 331.504 2.087 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359032 467377174 /nfs/dbraw/zinc/37/71/74/467377174.db2.gz FMEPKOGARXDBTN-HXUWFJFHSA-N 2 0 341.455 2.138 10 0 EEAERP C[C@@H](C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000414964757 467457955 /nfs/dbraw/zinc/45/79/55/467457955.db2.gz CCHPXAOCHWDIKR-ZBFHGGJFSA-N 2 0 329.410 2.291 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415036079 467472837 /nfs/dbraw/zinc/47/28/37/467472837.db2.gz LHBSQMUXBZRHRW-IEBWSBKVSA-N 3 0 330.520 2.436 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415065742 467479529 /nfs/dbraw/zinc/47/95/29/467479529.db2.gz HNGGZTHTOUJVSL-KGLIPLIRSA-N 2 0 336.505 2.135 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)[C@@H](C)C1 ZINC000436296144 467527195 /nfs/dbraw/zinc/52/71/95/467527195.db2.gz IRCPDLVUUUEIAF-MHORFTMASA-N 2 0 340.508 2.445 10 0 EEAERP COC[C@@](C)(O)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449385899 467635347 /nfs/dbraw/zinc/63/53/47/467635347.db2.gz RRSQTEPJCQTKJP-XLIONFOSSA-N 2 0 334.504 2.459 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000514861353 467959409 /nfs/dbraw/zinc/95/94/09/467959409.db2.gz UJFZSGILGLYSIE-LJQANCHMSA-N 2 0 342.487 2.129 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2C(F)F)C1 ZINC000518458461 468116639 /nfs/dbraw/zinc/11/66/39/468116639.db2.gz YDRMWVSWDHQRTQ-LBPRGKRZSA-N 2 0 349.385 2.277 10 0 EEAERP CN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519151450 468145777 /nfs/dbraw/zinc/14/57/77/468145777.db2.gz ZCFGEPVUELVLBJ-WQVCFCJDSA-N 2 0 339.842 2.340 10 0 EEAERP COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000567697153 468187079 /nfs/dbraw/zinc/18/70/79/468187079.db2.gz PYQBIHBUMQKMOK-SFHVURJKSA-N 2 0 341.411 2.010 10 0 EEAERP [NH3+]C1CCC(OCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000567775207 468207337 /nfs/dbraw/zinc/20/73/37/468207337.db2.gz DHKOHMKOZXAROE-CTWPCTMYSA-N 2 0 345.487 2.226 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000582237001 468510227 /nfs/dbraw/zinc/51/02/27/468510227.db2.gz XVKOPQCTGXYIQG-VMXMFDLUSA-N 2 0 345.531 2.157 10 0 EEAERP CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582482602 468547115 /nfs/dbraw/zinc/54/71/15/468547115.db2.gz LBUDOKJFYJOYMN-ZJOUEHCJSA-N 2 0 345.531 2.144 10 0 EEAERP C[NH+]1CCN(c2ccc(CNCc3nc4ccccc4o3)cn2)CC1 ZINC000591927380 468573668 /nfs/dbraw/zinc/57/36/68/468573668.db2.gz CDZVBAYIEWASAZ-UHFFFAOYSA-N 2 0 337.427 2.264 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000557113771 468612475 /nfs/dbraw/zinc/61/24/75/468612475.db2.gz UXNDCYKTJWDWKH-QAPCUYQASA-N 2 0 330.476 2.080 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000570395619 468633580 /nfs/dbraw/zinc/63/35/80/468633580.db2.gz RWBDUJBXUUDURB-GOSISDBHSA-N 2 0 330.476 2.130 10 0 EEAERP CCn1c2ccccc2nc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000570471188 468643632 /nfs/dbraw/zinc/64/36/32/468643632.db2.gz GETJISSDPHICEK-UHFFFAOYSA-N 2 0 329.492 2.172 10 0 EEAERP CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000583661319 468736748 /nfs/dbraw/zinc/73/67/48/468736748.db2.gz KGMADZLAPIFTJJ-QGZVFWFLSA-N 2 0 341.459 2.456 10 0 EEAERP C[C@H](CSCCF)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000595008127 468741918 /nfs/dbraw/zinc/74/19/18/468741918.db2.gz AQSZSRXFSBKRSK-CQSZACIVSA-N 2 0 326.485 2.014 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000584478050 468882241 /nfs/dbraw/zinc/88/22/41/468882241.db2.gz FSOLPKJCLGQEOM-JKSUJKDBSA-N 2 0 330.476 2.065 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000614656908 469008185 /nfs/dbraw/zinc/00/81/85/469008185.db2.gz HAYZRFMIDCNKOZ-INIZCTEOSA-N 2 0 338.455 2.225 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1n1cccn1 ZINC000562685701 469035841 /nfs/dbraw/zinc/03/58/41/469035841.db2.gz MABFZPBYWNQLSI-GUDVDZBRSA-N 2 0 341.459 2.255 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCc3ccccc3C1)C2 ZINC000615607490 469281731 /nfs/dbraw/zinc/28/17/31/469281731.db2.gz YYSYPRPUSJPGFI-OAQYLSRUSA-N 2 0 341.499 2.379 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000617007260 469568749 /nfs/dbraw/zinc/56/87/49/469568749.db2.gz OYMUHNVRAWGEOC-ZWKOTPCHSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@]1(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000612879605 469571231 /nfs/dbraw/zinc/57/12/31/469571231.db2.gz AZTZZFDVXYDZCR-AQDPXUSMSA-N 2 0 342.487 2.233 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623357603 469633849 /nfs/dbraw/zinc/63/38/49/469633849.db2.gz XQGBSQPOLGKEQZ-INIZCTEOSA-N 2 0 347.503 2.352 10 0 EEAERP C[N@@H+]1CC[C@@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428917 469653943 /nfs/dbraw/zinc/65/39/43/469653943.db2.gz DXDBWUQUYQDPEB-UYAOXDASSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 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ZINC000660386159 471318281 /nfs/dbraw/zinc/31/82/81/471318281.db2.gz WDIVZBYFGNIJAF-UHFFFAOYSA-N 2 0 344.503 2.162 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658648 471432812 /nfs/dbraw/zinc/43/28/12/471432812.db2.gz FRZUDAQLFBKRQZ-GOEBONIOSA-N 2 0 347.425 2.205 10 0 EEAERP CCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663656222 471462215 /nfs/dbraw/zinc/46/22/15/471462215.db2.gz WWGAQEMSPOSEHP-FGTMMUONSA-N 2 0 338.540 2.480 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659033215 471476997 /nfs/dbraw/zinc/47/69/97/471476997.db2.gz VDXADIDLKLEYCF-MSOLQXFVSA-N 2 0 344.459 2.050 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659041537 471483437 /nfs/dbraw/zinc/48/34/37/471483437.db2.gz JEMVBDBIYAVTCZ-ZWKOTPCHSA-N 2 0 346.475 2.296 10 0 EEAERP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653145426 471506791 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2.173 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000659578626 471685122 /nfs/dbraw/zinc/68/51/22/471685122.db2.gz FCSLXQSHDCUOIG-QXCFHYIPSA-N 2 0 344.503 2.256 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000656698166 471810479 /nfs/dbraw/zinc/81/04/79/471810479.db2.gz JWOSCCFMFVVZLH-AZUAARDMSA-N 2 0 333.520 2.284 10 0 EEAERP C[C@@H](NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665273071 471987241 /nfs/dbraw/zinc/98/72/41/471987241.db2.gz PQYPGUICCUPZOB-MJGOQNOKSA-N 2 0 328.504 2.071 10 0 EEAERP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)C(=O)Nc1ccccc1 ZINC000662255197 472044740 /nfs/dbraw/zinc/04/47/40/472044740.db2.gz AYZQFGBYBHIYHI-WBVHZDCISA-N 2 0 331.460 2.247 10 0 EEAERP C[C@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[NH2+]C1 ZINC000662687516 472207732 /nfs/dbraw/zinc/20/77/32/472207732.db2.gz ZHXCVFXWDCSIRQ-UWWQBHOKSA-N 2 0 331.460 2.312 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000662747715 472233775 /nfs/dbraw/zinc/23/37/75/472233775.db2.gz CITVHRJPXGOZLA-QAPCUYQASA-N 2 0 327.472 2.440 10 0 EEAERP CC1(C)CN(C(=O)CC[NH3+])[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758480 472238096 /nfs/dbraw/zinc/23/80/96/472238096.db2.gz PAVKSDSAKJZUCK-LJQANCHMSA-N 2 0 329.488 2.484 10 0 EEAERP C[NH+]1CCN(Cc2cccc(NC(=O)C3([NH2+]C4CC4)CCC3)c2)CC1 ZINC000662759474 472239228 /nfs/dbraw/zinc/23/92/28/472239228.db2.gz XTVXWVHSDMKPBF-UHFFFAOYSA-N 2 0 342.487 2.047 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651193586 485532171 /nfs/dbraw/zinc/53/21/71/485532171.db2.gz AMGBVGCESPHSRH-SJORKVTESA-N 2 0 326.529 2.336 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000673862351 485559336 /nfs/dbraw/zinc/55/93/36/485559336.db2.gz ZBDOIMPKXRKTHV-QGZVFWFLSA-N 2 0 340.431 2.359 10 0 EEAERP COCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000683848793 485661406 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FBTDQUJHQKRFHK-NXHRZFHOSA-N 2 0 330.476 2.043 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416146829 529048017 /nfs/dbraw/zinc/04/80/17/529048017.db2.gz VZLBKVYNLUOASX-KRWDZBQOSA-N 2 0 329.488 2.283 10 0 EEAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000459252330 536362980 /nfs/dbraw/zinc/36/29/80/536362980.db2.gz GPJZEQSADWMDRT-ZWKOTPCHSA-N 2 0 336.524 2.378 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]CCCCCO)c2c1OC(F)(F)O2 ZINC000894595205 682989601 /nfs/dbraw/zinc/98/96/01/682989601.db2.gz AYCLEHPDSKINSH-UHFFFAOYSA-N 2 0 330.375 2.322 10 0 EEAERP CS[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC000897237046 686302721 /nfs/dbraw/zinc/30/27/21/686302721.db2.gz BTDUXLOMANUVBT-ZJPYXAASSA-N 2 0 347.528 2.183 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924668144 693117224 /nfs/dbraw/zinc/11/72/24/693117224.db2.gz OVTMSFIBKPVQJG-WSTZPKSXSA-N 2 0 330.520 2.408 10 0 EEAERP CCN(C(=O)[C@@H]([NH2+]C(C)C)c1ccc(OC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000898588202 693380282 /nfs/dbraw/zinc/38/02/82/693380282.db2.gz WYEGFAXHFPSOCE-AEFFLSMTSA-N 2 0 333.476 2.287 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001485527500 1191826779 /nfs/dbraw/zinc/82/67/79/1191826779.db2.gz ZJAGUBMJYCDQEU-KGLIPLIRSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001485537819 1191827344 /nfs/dbraw/zinc/82/73/44/1191827344.db2.gz UHMKKLXIPWCHLS-JSGCOSHPSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001485575407 1191852437 /nfs/dbraw/zinc/85/24/37/1191852437.db2.gz LVAQFYLRLXZMTQ-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncc(C[NH2+]CCC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001485728309 1191919881 /nfs/dbraw/zinc/91/98/81/1191919881.db2.gz XOKFATWJNXRXJC-OAHLLOKOSA-N 2 0 348.491 2.234 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCOCC)CC2 ZINC001691960718 1176080661 /nfs/dbraw/zinc/08/06/61/1176080661.db2.gz VPPFOZCNPDXRDB-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001266472657 1176603395 /nfs/dbraw/zinc/60/33/95/1176603395.db2.gz OMQSUIWTKJJINP-SFHVURJKSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1c(C(=O)NCC[N@@H+](C)C[C@@H]2CC(C)(C)CO2)ccc2c[nH+]cn21 ZINC001480884703 1176857459 /nfs/dbraw/zinc/85/74/59/1176857459.db2.gz XCBPXTXFTABJDT-INIZCTEOSA-N 2 0 344.459 2.119 10 0 EEAERP Cn1ccnc1CCC(=O)NCC[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001480894071 1177638377 /nfs/dbraw/zinc/63/83/77/1177638377.db2.gz LDLLTVBPKVQGFA-AWEZNQCLSA-N 2 0 342.434 2.226 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266873666 1177676342 /nfs/dbraw/zinc/67/63/42/1177676342.db2.gz WENZPRFLJOCMGS-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001266877459 1177685988 /nfs/dbraw/zinc/68/59/88/1177685988.db2.gz TUVQOBLAIMIXBJ-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC1CCC([NH2+]CCOC)CC1)c1ccccc1 ZINC001266915903 1177792586 /nfs/dbraw/zinc/79/25/86/1177792586.db2.gz PSWLMWJZRVBADE-ACBHZAAOSA-N 2 0 347.503 2.343 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691277751 1177811214 /nfs/dbraw/zinc/81/12/14/1177811214.db2.gz IIVLBDAWFLGAFG-HNNXBMFYSA-N 2 0 343.393 2.348 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1CC[NH2+]CCCF ZINC001691297865 1177851563 /nfs/dbraw/zinc/85/15/63/1177851563.db2.gz MMJVCKLKUODFGF-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC[C@@H]2CCCCO2)C1 ZINC001480904622 1177881919 /nfs/dbraw/zinc/88/19/19/1177881919.db2.gz JLMCSNYDPMUTRX-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001267046192 1178144026 /nfs/dbraw/zinc/14/40/26/1178144026.db2.gz XZHPQJJVXXJJDD-LBPRGKRZSA-N 2 0 334.291 2.228 10 0 EEAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cnc(C)o1)[NH+](C)C 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IQMIXVZWNAGEFL-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001267807630 1180561312 /nfs/dbraw/zinc/56/13/12/1180561312.db2.gz ZUEIWJDZMXGTOE-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1C[NH+](CCCF)C1 ZINC001409925072 1193044438 /nfs/dbraw/zinc/04/44/38/1193044438.db2.gz RMXXULAAIJCZPE-CQSZACIVSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481437606 1181339871 /nfs/dbraw/zinc/33/98/71/1181339871.db2.gz WHQHIKPVOIOBNW-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481496705 1181564619 /nfs/dbraw/zinc/56/46/19/1181564619.db2.gz JWDSOUWKEATPJP-KRWDZBQOSA-N 2 0 331.504 2.481 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502271 1181579507 /nfs/dbraw/zinc/57/95/07/1181579507.db2.gz KCRKPMRBYRRQDM-SJORKVTESA-N 2 0 327.488 2.247 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268062952 1181649021 /nfs/dbraw/zinc/64/90/21/1181649021.db2.gz GARWOXXVCIGZRU-DRKNEXIASA-N 2 0 329.488 2.477 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268094334 1181732124 /nfs/dbraw/zinc/73/21/24/1181732124.db2.gz NRGWOTKWQYXRNV-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC001481753858 1182552864 /nfs/dbraw/zinc/55/28/64/1182552864.db2.gz ZKZMKZGAWGAKLB-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001268414028 1182566722 /nfs/dbraw/zinc/56/67/22/1182566722.db2.gz PWSSWYCEWABVHJ-BLLLJJGKSA-N 2 0 341.883 2.370 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1OC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268438200 1182612648 /nfs/dbraw/zinc/61/26/48/1182612648.db2.gz FNTXTZONCVBLSK-GOSISDBHSA-N 2 0 345.487 2.260 10 0 EEAERP CC[C@H](CNC(=O)Cc1cncn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001481870365 1182845267 /nfs/dbraw/zinc/84/52/67/1182845267.db2.gz MGWAETFYYLGFPA-QAPCUYQASA-N 2 0 326.444 2.135 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@]2(C[NH2+]CCF)CCCC[C@H]2C)CC1 ZINC001481961679 1183044880 /nfs/dbraw/zinc/04/48/80/1183044880.db2.gz NTWFXVFFRHEVTJ-AEFFLSMTSA-N 2 0 327.488 2.343 10 0 EEAERP Cc1cncc(C[NH2+]CCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001482007758 1183130045 /nfs/dbraw/zinc/13/00/45/1183130045.db2.gz FBWFEGAFYNNCIP-IBGZPJMESA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001482021784 1183147113 /nfs/dbraw/zinc/14/71/13/1183147113.db2.gz BNACGSKYZMSYKK-SHTZXODSSA-N 2 0 336.480 2.267 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC/C=C\C[NH2+]Cc2ccccn2)C1 ZINC001268591001 1183391946 /nfs/dbraw/zinc/39/19/46/1183391946.db2.gz MHNSAFJTERAUIC-RURPWVQCSA-N 2 0 348.466 2.056 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]C/C(Cl)=C/Cl ZINC001482136051 1183442570 /nfs/dbraw/zinc/44/25/70/1183442570.db2.gz OECHAUFXUGCPEC-ODZKFVMRSA-N 2 0 336.307 2.378 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001482167766 1183494698 /nfs/dbraw/zinc/49/46/98/1183494698.db2.gz HQKDYJVJSCWMEQ-CABCVRRESA-N 2 0 331.451 2.250 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268602502 1183508464 /nfs/dbraw/zinc/50/84/64/1183508464.db2.gz KRSKVWAJKWLNSA-LSLCWXNRSA-N 2 0 327.472 2.466 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC/C=C\c1ccccc1)C12CC[NH+](CC1)C2 ZINC001268614214 1183529053 /nfs/dbraw/zinc/52/90/53/1183529053.db2.gz TYOSFWMSQLRMPF-JICONFDSSA-N 2 0 339.483 2.448 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCOCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268708589 1183627876 /nfs/dbraw/zinc/62/78/76/1183627876.db2.gz GEHWDXFGFNPPSR-INIZCTEOSA-N 2 0 347.503 2.273 10 0 EEAERP CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784154 1183701741 /nfs/dbraw/zinc/70/17/41/1183701741.db2.gz RULLPDLWBXGCGF-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001268790464 1183706781 /nfs/dbraw/zinc/70/67/81/1183706781.db2.gz FZUPPAAFRJYFTJ-SFHVURJKSA-N 2 0 349.523 2.275 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268902019 1183800587 /nfs/dbraw/zinc/80/05/87/1183800587.db2.gz CYKAYYKKHWPLGQ-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001269026047 1183905516 /nfs/dbraw/zinc/90/55/16/1183905516.db2.gz MWGVYKUQORSPPA-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCc1ccccc1F)C1CC1 ZINC001269083578 1183945872 /nfs/dbraw/zinc/94/58/72/1183945872.db2.gz FOWNFQXKFBPAGO-OALUTQOASA-N 2 0 347.478 2.337 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001482232873 1184418568 /nfs/dbraw/zinc/41/85/68/1184418568.db2.gz WJXNPTDSNQWUIY-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCC(F)(F)F)CC[N@@H+]1C ZINC001270122506 1184863842 /nfs/dbraw/zinc/86/38/42/1184863842.db2.gz ZJZGBWLGNZAGHE-IHRRRGAJSA-N 2 0 335.414 2.250 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001482284246 1185063060 /nfs/dbraw/zinc/06/30/60/1185063060.db2.gz LYXCASUFNPBDGE-WMZOPIPTSA-N 2 0 332.492 2.199 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482318677 1185333141 /nfs/dbraw/zinc/33/31/41/1185333141.db2.gz FTEMKOGNKSFLEV-FUHWJXTLSA-N 2 0 347.503 2.159 10 0 EEAERP COCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270719438 1185344017 /nfs/dbraw/zinc/34/40/17/1185344017.db2.gz WLZJAGZJWUMABO-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354842 1185493796 /nfs/dbraw/zinc/49/37/96/1185493796.db2.gz USRGAIQWHZICPF-OSKOBQJQSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001271208502 1186079913 /nfs/dbraw/zinc/07/99/13/1186079913.db2.gz QZRLVXMDOTWWRZ-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000290629686 1186251487 /nfs/dbraw/zinc/25/14/87/1186251487.db2.gz ZPDTZFDDLWEFLZ-WMZOPIPTSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001482550563 1186655938 /nfs/dbraw/zinc/65/59/38/1186655938.db2.gz QQGGDXTYMVPPMM-CWRNSKLLSA-N 2 0 345.478 2.492 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001482685373 1187651645 /nfs/dbraw/zinc/65/16/45/1187651645.db2.gz FRMFZXOYHFRXEB-MSOLQXFVSA-N 2 0 332.492 2.025 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482815786 1187748701 /nfs/dbraw/zinc/74/87/01/1187748701.db2.gz AMRTXQJKBIJYKR-WMLDXEAASA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001482903282 1187828438 /nfs/dbraw/zinc/82/84/38/1187828438.db2.gz YRSMCRXDPKGLJA-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)C1CC[NH+](C)CC1 ZINC001482948309 1187887227 /nfs/dbraw/zinc/88/72/27/1187887227.db2.gz RSKDCPWZFIQYCN-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001482991148 1187969119 /nfs/dbraw/zinc/96/91/19/1187969119.db2.gz MSLAWPLMXLHSAB-PHXNAMCJSA-N 2 0 327.472 2.420 10 0 EEAERP C[C@@]1(C[NH2+]CCCCCF)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671735144 1193530734 /nfs/dbraw/zinc/53/07/34/1193530734.db2.gz HZHIKHHNFPFUNH-MJGOQNOKSA-N 2 0 339.499 2.296 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001691554841 1188259448 /nfs/dbraw/zinc/25/94/48/1188259448.db2.gz WKUCMRCUGNBMLB-SQNIBIBYSA-N 2 0 339.499 2.413 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483057567 1188333319 /nfs/dbraw/zinc/33/33/19/1188333319.db2.gz QCPPWHRKHUURDJ-HPFMTEOYSA-N 2 0 335.467 2.482 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001483060498 1188354759 /nfs/dbraw/zinc/35/47/59/1188354759.db2.gz LLQBXIZHHHKPKU-XLYSIVADSA-N 2 0 345.487 2.360 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC001483093336 1188461537 /nfs/dbraw/zinc/46/15/37/1188461537.db2.gz PHIQXNMWEKPKFH-SFAKSCPVSA-N 2 0 337.414 2.384 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001409285144 1188595173 /nfs/dbraw/zinc/59/51/73/1188595173.db2.gz MNXIFXCWIPBWNY-UHFFFAOYSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)COC3)C1)[NH+](C)C ZINC001409300043 1188621277 /nfs/dbraw/zinc/62/12/77/1188621277.db2.gz WUISKPMMTGEGPU-XUJQIHCRSA-N 2 0 345.487 2.041 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001485835099 1193573040 /nfs/dbraw/zinc/57/30/40/1193573040.db2.gz VCVPDDYRXQIWHC-FQEVSTJZSA-N 2 0 343.515 2.460 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001483192977 1189079123 /nfs/dbraw/zinc/07/91/23/1189079123.db2.gz MWDJGSCNQFOXSE-MRXNPFEDSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)c(C)n1 ZINC001485838634 1193609458 /nfs/dbraw/zinc/60/94/58/1193609458.db2.gz VPJYVWVXHDIZKZ-LJQANCHMSA-N 2 0 346.519 2.365 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001485876656 1193627689 /nfs/dbraw/zinc/62/76/89/1193627689.db2.gz IVNPVSOJUZRPMK-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP CCc1cnc(CN[C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001485884196 1193629128 /nfs/dbraw/zinc/62/91/28/1193629128.db2.gz BDLFYSYDOXRDKX-LSDHHAIUSA-N 2 0 336.480 2.048 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCc1ccc(Cl)cc1 ZINC001409532200 1189992405 /nfs/dbraw/zinc/99/24/05/1189992405.db2.gz XBLJVWVKFKHJQT-YOEHRIQHSA-N 2 0 337.895 2.413 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409630749 1190123074 /nfs/dbraw/zinc/12/30/74/1190123074.db2.gz GFMXMKDVOUFEGY-OAHLLOKOSA-N 2 0 333.451 2.166 10 0 EEAERP COC[C@H](C)[NH2+]CC1(NC(=O)C[C@H](C)n2ccnc2)CCCCC1 ZINC001409772130 1190267122 /nfs/dbraw/zinc/26/71/22/1190267122.db2.gz CKEYWOBYMJTSKA-HOTGVXAUSA-N 2 0 336.480 2.278 10 0 EEAERP Cc1ccc2sc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)nc2c1 ZINC001483261654 1190287543 /nfs/dbraw/zinc/28/75/43/1190287543.db2.gz IFPIZNGEXKEFRM-ZDUSSCGKSA-N 2 0 334.489 2.151 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001483296902 1190319310 /nfs/dbraw/zinc/31/93/10/1190319310.db2.gz SQEULXWPUUYANA-LBPRGKRZSA-N 2 0 329.847 2.414 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)Cc2cnccc2C)C1 ZINC001483375809 1190416614 /nfs/dbraw/zinc/41/66/14/1190416614.db2.gz ARJDBTGYANECHL-MSOLQXFVSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCC(F)(F)F)C1 ZINC001483376272 1190417365 /nfs/dbraw/zinc/41/73/65/1190417365.db2.gz FUYIOMZXNBGSET-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483379178 1190423301 /nfs/dbraw/zinc/42/33/01/1190423301.db2.gz SDDSCMILFDCABW-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)o1 ZINC001483476076 1190495339 /nfs/dbraw/zinc/49/53/39/1190495339.db2.gz QMCDRANUXBLXTG-OAHLLOKOSA-N 2 0 334.464 2.111 10 0 EEAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483486971 1190506476 /nfs/dbraw/zinc/50/64/76/1190506476.db2.gz QMAAUPWAZBJKFY-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP CCCC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2n1)C1CC1 ZINC001483594958 1190578895 /nfs/dbraw/zinc/57/88/95/1190578895.db2.gz MGWZNNHZBMGJIX-KRWDZBQOSA-N 2 0 328.460 2.470 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001483606523 1190585518 /nfs/dbraw/zinc/58/55/18/1190585518.db2.gz DFXZLYYZBWOPSM-ROUUACIJSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001409777991 1190594613 /nfs/dbraw/zinc/59/46/13/1190594613.db2.gz IYEDACCPBVHJRK-OAHLLOKOSA-N 2 0 327.488 2.485 10 0 EEAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001486120253 1193687733 /nfs/dbraw/zinc/68/77/33/1193687733.db2.gz MWILSCRXURKREU-LSDHHAIUSA-N 2 0 327.432 2.260 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486122655 1193688044 /nfs/dbraw/zinc/68/80/44/1193688044.db2.gz SYMZLNJZTPEXMB-MAUKXSAKSA-N 2 0 349.523 2.193 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001486139109 1193693362 /nfs/dbraw/zinc/69/33/62/1193693362.db2.gz ZBQDNWZVUZLTAX-MJGOQNOKSA-N 2 0 344.503 2.427 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCc3ccccc32)CCC1 ZINC001483655306 1190712051 /nfs/dbraw/zinc/71/20/51/1190712051.db2.gz MTLKHNINDFSIEF-SJLPKXTDSA-N 2 0 327.472 2.349 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCc3ccccc32)CCC1 ZINC001483655305 1190712111 /nfs/dbraw/zinc/71/21/11/1190712111.db2.gz MTLKHNINDFSIEF-FUHWJXTLSA-N 2 0 327.472 2.349 10 0 EEAERP CCCOc1cccc(CN2CC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001483701625 1190776089 /nfs/dbraw/zinc/77/60/89/1190776089.db2.gz IAZAECGTPZPVQV-SFHVURJKSA-N 2 0 345.487 2.262 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]Cc2nccs2)C1)C12CCC[NH+]1CCC2 ZINC001272486655 1190847559 /nfs/dbraw/zinc/84/75/59/1190847559.db2.gz SVWNZMOVHDTOIP-OAHLLOKOSA-N 2 0 348.516 2.100 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592679 1190909040 /nfs/dbraw/zinc/90/90/40/1190909040.db2.gz ZJHWYNHZMZLWJR-UONOGXRCSA-N 2 0 347.488 2.073 10 0 EEAERP CC[C@@H](F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001483805168 1191051683 /nfs/dbraw/zinc/05/16/83/1191051683.db2.gz DZYPAWZABVOQGW-MGNMYUMUSA-N 2 0 337.483 2.332 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC[C@H](C)F)C2 ZINC001483832984 1191070333 /nfs/dbraw/zinc/07/03/33/1191070333.db2.gz RQBBFGDKHJGLMX-WMZOPIPTSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001483849290 1191085189 /nfs/dbraw/zinc/08/51/89/1191085189.db2.gz ZTTUFPXVLFPTBU-QGZVFWFLSA-N 2 0 343.462 2.296 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)cc1 ZINC001483849365 1191086105 /nfs/dbraw/zinc/08/61/05/1191086105.db2.gz USKDPDKFECXHSU-HXUWFJFHSA-N 2 0 329.488 2.371 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001483865515 1191097888 /nfs/dbraw/zinc/09/78/88/1191097888.db2.gz BQGFGVUGFHUDCG-INIZCTEOSA-N 2 0 327.488 2.245 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC(C)C ZINC001483936744 1191124108 /nfs/dbraw/zinc/12/41/08/1191124108.db2.gz UIYQHXAAOPCAQX-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001484006796 1191150258 /nfs/dbraw/zinc/15/02/58/1191150258.db2.gz MNWRNULKHWHXAO-GOSISDBHSA-N 2 0 332.492 2.106 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001484124208 1191223131 /nfs/dbraw/zinc/22/31/31/1191223131.db2.gz GKQNDTKDMRAWCX-GDBMZVCRSA-N 2 0 349.441 2.499 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cc(C)on1)C2 ZINC001484321066 1191303470 /nfs/dbraw/zinc/30/34/70/1191303470.db2.gz BDGZMOLQTSNSCI-BQFCYCMXSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001484374805 1191322225 /nfs/dbraw/zinc/32/22/25/1191322225.db2.gz BGBQFTMGHHVHGU-HOTGVXAUSA-N 2 0 349.544 2.317 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CC2)C1 ZINC001484391375 1191325873 /nfs/dbraw/zinc/32/58/73/1191325873.db2.gz POUTWELAQSCISW-KANFNMMFSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@H](c1ccccc1F)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411704 1191339041 /nfs/dbraw/zinc/33/90/41/1191339041.db2.gz DBJHNNNZOCWOFP-OAGGEKHMSA-N 2 0 333.451 2.229 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001484473114 1191378288 /nfs/dbraw/zinc/37/82/88/1191378288.db2.gz MTKCXLAPSYPKKQ-ZWKOTPCHSA-N 2 0 333.520 2.441 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001484520955 1191396200 /nfs/dbraw/zinc/39/62/00/1191396200.db2.gz LTQJDAMYISWVBD-JFIYKMOQSA-N 2 0 347.478 2.494 10 0 EEAERP CC[C@H](C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3nccn32)C1)OC ZINC001484530013 1191400223 /nfs/dbraw/zinc/40/02/23/1191400223.db2.gz OXOKHBBUCYBRSC-HZPDHXFCSA-N 2 0 344.459 2.201 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484536057 1191403680 /nfs/dbraw/zinc/40/36/80/1191403680.db2.gz NNQOPRCGSKRGJR-OAHLLOKOSA-N 2 0 336.480 2.078 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001484572713 1191422326 /nfs/dbraw/zinc/42/23/26/1191422326.db2.gz PQPHLFBOYCBXAX-KZNAEPCWSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001484830611 1191538017 /nfs/dbraw/zinc/53/80/17/1191538017.db2.gz PTUPIWGXJPSPDN-SFHVURJKSA-N 2 0 325.472 2.146 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)s1 ZINC001484910045 1191571135 /nfs/dbraw/zinc/57/11/35/1191571135.db2.gz RNLJOAZXZWXLCZ-SWLSCSKDSA-N 2 0 338.521 2.037 10 0 EEAERP CC(C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485006422 1191612764 /nfs/dbraw/zinc/61/27/64/1191612764.db2.gz SEVSQYHMGZEVAG-VQIMIIECSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485205361 1191692716 /nfs/dbraw/zinc/69/27/16/1191692716.db2.gz BDSFBLFQHHUFPG-ZIAGYGMSSA-N 2 0 336.480 2.086 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001485209984 1191694716 /nfs/dbraw/zinc/69/47/16/1191694716.db2.gz LUQHYFTYRLRENT-IRXDYDNUSA-N 2 0 347.503 2.089 10 0 EEAERP CCc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001485224369 1191696559 /nfs/dbraw/zinc/69/65/59/1191696559.db2.gz FBWJWFPMOIOFPR-IAGOWNOFSA-N 2 0 331.504 2.370 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001485229440 1191698945 /nfs/dbraw/zinc/69/89/45/1191698945.db2.gz YLCOPEXINBYCAN-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC=C(Cl)Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001485264318 1191710602 /nfs/dbraw/zinc/71/06/02/1191710602.db2.gz VEVNIPFNCLFFLQ-UHFFFAOYSA-N 2 0 348.318 2.475 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1 ZINC001485356241 1191760997 /nfs/dbraw/zinc/76/09/97/1191760997.db2.gz BAPUZNABBGTTDI-SJLPKXTDSA-N 2 0 332.492 2.281 10 0 EEAERP CC(C)N(CCN(C)[C@H](C)c1cnccn1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486369207 1193869993 /nfs/dbraw/zinc/86/99/93/1193869993.db2.gz HUKBDBRRCDFGOY-BRWVUGGUSA-N 2 0 347.507 2.047 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](C/C=C\Cl)CC3)CC2)C1 ZINC001486491650 1194003715 /nfs/dbraw/zinc/00/37/15/1194003715.db2.gz VNNNQPGYEQCGJR-SDHLOXDLSA-N 2 0 339.911 2.442 10 0 EEAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001486516868 1194023329 /nfs/dbraw/zinc/02/33/29/1194023329.db2.gz OWSRGTILFOUQSZ-OAHLLOKOSA-N 2 0 325.472 2.215 10 0 EEAERP Cc1ccncc1C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001486511225 1194028290 /nfs/dbraw/zinc/02/82/90/1194028290.db2.gz YJVTVOGCDKPCPP-UHFFFAOYSA-N 2 0 342.487 2.123 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cscn2)C1 ZINC001272976644 1194285066 /nfs/dbraw/zinc/28/50/66/1194285066.db2.gz FXVBUYMTPCOMCO-HUUCEWRRSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)s1 ZINC001272985463 1194294261 /nfs/dbraw/zinc/29/42/61/1194294261.db2.gz MLTQPBLTCVIQHS-GFCCVEGCSA-N 2 0 338.521 2.086 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccns1 ZINC001273051334 1194355768 /nfs/dbraw/zinc/35/57/68/1194355768.db2.gz BDNKTWQXUZHANC-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP C[C@H](CC[NH2+]CC1CCOCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001273076929 1194370495 /nfs/dbraw/zinc/37/04/95/1194370495.db2.gz ZOGBJYRYOCMYNE-MRXNPFEDSA-N 2 0 347.503 2.273 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273123159 1194406320 /nfs/dbraw/zinc/40/63/20/1194406320.db2.gz OFLQGQYCWUGYTF-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001410412551 1197827985 /nfs/dbraw/zinc/82/79/85/1197827985.db2.gz GUGSPSKROTYCCN-CABCVRRESA-N 2 0 343.462 2.487 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1c(F)cccc1Cl ZINC001410430489 1197875442 /nfs/dbraw/zinc/87/54/42/1197875442.db2.gz FTZAJJZJWSMDAT-CYBMUJFWSA-N 2 0 343.874 2.410 10 0 EEAERP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001410506001 1198063175 /nfs/dbraw/zinc/06/31/75/1198063175.db2.gz YAUYSFVPHLBUAQ-MRXNPFEDSA-N 2 0 329.488 2.281 10 0 EEAERP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000872204841 1198084369 /nfs/dbraw/zinc/08/43/69/1198084369.db2.gz HQYSKERSQPWAAP-NEWSRXKRSA-N 2 0 334.504 2.399 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000865246382 1198139460 /nfs/dbraw/zinc/13/94/60/1198139460.db2.gz FWWONCFUCWBULV-UHFFFAOYSA-N 2 0 326.554 2.153 10 0 EEAERP c1c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nnn1C[C@@H]1CCOC1 ZINC000865483984 1198241746 /nfs/dbraw/zinc/24/17/46/1198241746.db2.gz BMPCOAQWUQXIAY-MUYFXNHWSA-N 2 0 347.507 2.201 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001273383424 1198429882 /nfs/dbraw/zinc/42/98/82/1198429882.db2.gz ZRPLGWGPVAOBHJ-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cnc(C)s2)C[C@@H]1C ZINC001410880535 1198528851 /nfs/dbraw/zinc/52/88/51/1198528851.db2.gz MNCDBUCCURYGGP-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)s2)C[C@H]1C ZINC001410880546 1198529260 /nfs/dbraw/zinc/52/92/60/1198529260.db2.gz MNCDBUCCURYGGP-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1ccccn1)CC2 ZINC001410904052 1198561093 /nfs/dbraw/zinc/56/10/93/1198561093.db2.gz KZEMIGLQLACJDH-IEBWSBKVSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001410945622 1198611889 /nfs/dbraw/zinc/61/18/89/1198611889.db2.gz QDMBKPDBPZBFDE-CABCVRRESA-N 2 0 338.521 2.086 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C(C)(C)C1 ZINC001411105974 1198796720 /nfs/dbraw/zinc/79/67/20/1198796720.db2.gz LWLUZRIAPZHIOR-SFHVURJKSA-N 2 0 331.504 2.398 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001411267154 1199006820 /nfs/dbraw/zinc/00/68/20/1199006820.db2.gz VGCUVTIZQXJOSX-INIZCTEOSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)[C@@H](c2ccccc2)C1 ZINC000874828967 1199022715 /nfs/dbraw/zinc/02/27/15/1199022715.db2.gz YZKFOVTYSKBWEF-XWSJACJDSA-N 2 0 327.472 2.027 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CC[C@H]2CCCCO2)CCC1 ZINC001493107085 1199157561 /nfs/dbraw/zinc/15/75/61/1199157561.db2.gz JFNWMOVRLLFDND-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+]1CCC(NC(=O)CN2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000878393603 1200442336 /nfs/dbraw/zinc/44/23/36/1200442336.db2.gz ZFHNCOHYVFNIRV-VJIACCKLSA-N 2 0 327.472 2.375 10 0 EEAERP CC(C)N1CCO[C@H](C(=[NH2+])NOCc2cncc(C(F)(F)F)c2)C1 ZINC000812305069 1200627335 /nfs/dbraw/zinc/62/73/35/1200627335.db2.gz XVBFOURTMVRWDS-ZDUSSCGKSA-N 2 0 346.353 2.208 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NCc1ccccc1C[NH+]1CCCC1 ZINC000870857069 1200914824 /nfs/dbraw/zinc/91/48/24/1200914824.db2.gz UWFZODITSKGMFF-UHFFFAOYSA-N 2 0 327.472 2.431 10 0 EEAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813113217 1201123688 /nfs/dbraw/zinc/12/36/88/1201123688.db2.gz CCKLUTGPTYHEHI-KDOFPFPSSA-N 2 0 327.488 2.388 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(Cl)n1 ZINC000868036265 1201731629 /nfs/dbraw/zinc/73/16/29/1201731629.db2.gz WHEMCOITLVNQET-BPLDGKMQSA-N 2 0 336.867 2.034 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]Cc1nccs1 ZINC001691728001 1204234434 /nfs/dbraw/zinc/23/44/34/1204234434.db2.gz NPLWNWMRRSZJCD-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCCOC(C)C)CC1)[NH+](C)C ZINC001274394185 1205019301 /nfs/dbraw/zinc/01/93/01/1205019301.db2.gz XMEKFGVDNCCKPF-INIZCTEOSA-N 2 0 327.513 2.112 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001274413920 1205027199 /nfs/dbraw/zinc/02/71/99/1205027199.db2.gz POMAFZUMIHAIRX-DUMMIQTOSA-N 2 0 344.503 2.417 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001275246212 1205290431 /nfs/dbraw/zinc/29/04/31/1205290431.db2.gz DDOBTUHNMFXVAK-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001276001360 1205628238 /nfs/dbraw/zinc/62/82/38/1205628238.db2.gz IMTUHZMJVSCMDW-INIZCTEOSA-N 2 0 336.480 2.048 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)C2([NH+](C)C)CCCC2)c1 ZINC001412535981 1205753180 /nfs/dbraw/zinc/75/31/80/1205753180.db2.gz XHVHTEFUQJPZTQ-UHFFFAOYSA-N 2 0 333.476 2.118 10 0 EEAERP CN(CCC[NH2+]CC[C@H]1CCCCO1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276168267 1205811158 /nfs/dbraw/zinc/81/11/58/1205811158.db2.gz JWXUIFXIMQNTKM-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001276170911 1205812283 /nfs/dbraw/zinc/81/22/83/1205812283.db2.gz SUHLIPVYQGHNTI-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cn2)CC1 ZINC000924624931 1206005834 /nfs/dbraw/zinc/00/58/34/1206005834.db2.gz DDTLOPWOXQSDOK-ICSRJNTNSA-N 2 0 344.503 2.128 10 0 EEAERP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1OCC(=O)N(C)C ZINC000925472783 1206116751 /nfs/dbraw/zinc/11/67/51/1206116751.db2.gz IHPSBTCOYJZIIZ-RYQLBKOJSA-N 2 0 345.487 2.464 10 0 EEAERP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925496480 1206119661 /nfs/dbraw/zinc/11/96/61/1206119661.db2.gz VBJFYRAIWVIWMO-RTBURBONSA-N 2 0 329.488 2.483 10 0 EEAERP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925519409 1206122520 /nfs/dbraw/zinc/12/25/20/1206122520.db2.gz CEZDMSNURNWXDT-MPGHIAIKSA-N 2 0 342.487 2.321 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCN[C@H]3C[C@@H]([NH3+])C34CCC4)CC2)c1 ZINC000925527922 1206123817 /nfs/dbraw/zinc/12/38/17/1206123817.db2.gz XJFIJSAYWXMKGZ-UXHICEINSA-N 2 0 342.531 2.367 10 0 EEAERP CC1(C)[C@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925575005 1206130582 /nfs/dbraw/zinc/13/05/82/1206130582.db2.gz XTKBEDGXHOHDJA-FHLIZLRMSA-N 2 0 331.508 2.303 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632101 1206137731 /nfs/dbraw/zinc/13/77/31/1206137731.db2.gz ZVTPALGASOKXQE-HNJRGHQBSA-N 2 0 341.499 2.401 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000925637712 1206138683 /nfs/dbraw/zinc/13/86/83/1206138683.db2.gz QGVXUHAREQTZPJ-DJIMGWMZSA-N 2 0 330.476 2.068 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000925712954 1206145579 /nfs/dbraw/zinc/14/55/79/1206145579.db2.gz RLWAUAWZMVEUHK-QRVBRYPASA-N 3 0 331.504 2.249 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1Cn1cccn1 ZINC000925788695 1206153984 /nfs/dbraw/zinc/15/39/84/1206153984.db2.gz AYYAPPQSQBOZAC-VKJFTORMSA-N 2 0 328.460 2.446 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000925846871 1206159765 /nfs/dbraw/zinc/15/97/65/1206159765.db2.gz YDTSTVXFANIWDT-OKZBNKHCSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1c([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)C ZINC000925849065 1206160135 /nfs/dbraw/zinc/16/01/35/1206160135.db2.gz HGSJLOYDANJBJR-DZGCQCFKSA-N 2 0 334.464 2.108 10 0 EEAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2c(c1)CCO2 ZINC000925853627 1206161372 /nfs/dbraw/zinc/16/13/72/1206161372.db2.gz JNRUCPGTEDWWFW-IRXDYDNUSA-N 2 0 344.455 2.348 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1N(C)C ZINC000925857283 1206161680 /nfs/dbraw/zinc/16/16/80/1206161680.db2.gz ZIQZHRHBLIIFSO-UKRRQHHQSA-N 2 0 349.450 2.228 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000925875253 1206163260 /nfs/dbraw/zinc/16/32/60/1206163260.db2.gz DTBMSHHYLOSHKW-LZWOXQAQSA-N 2 0 337.489 2.005 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925907056 1206166549 /nfs/dbraw/zinc/16/65/49/1206166549.db2.gz WQFLUPDNTYUPJS-ROUUACIJSA-N 2 0 347.507 2.200 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000926290491 1206211569 /nfs/dbraw/zinc/21/15/69/1206211569.db2.gz OPZYVVXDDNLJAX-ZSLAEUJXSA-N 2 0 342.405 2.185 10 0 EEAERP C[N@@H+](C[C@H]1CCC2(COC2)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753486 1206498273 /nfs/dbraw/zinc/49/82/73/1206498273.db2.gz BCUIJSROKXDLGN-RBUKOAKNSA-N 2 0 330.472 2.388 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)CC(C)(C)O1 ZINC000930146926 1206537680 /nfs/dbraw/zinc/53/76/80/1206537680.db2.gz MSKSIJMEOBZFHF-MRXNPFEDSA-N 2 0 339.524 2.066 10 0 EEAERP CC1(C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@@H]1OCc1ccccc1 ZINC000717997941 1211685326 /nfs/dbraw/zinc/68/53/26/1211685326.db2.gz KFWVPWSHQOVQOF-MOPGFXCFSA-N 2 0 331.504 2.383 10 0 EEAERP CN(CCC[NH2+]Cc1cc(C2CC2)no1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001276333716 1215754716 /nfs/dbraw/zinc/75/47/16/1215754716.db2.gz UYHNIZMCOXAXRA-UHFFFAOYSA-N 2 0 345.447 2.191 10 0 EEAERP CC(C)C[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC000902790150 1238537259 /nfs/dbraw/zinc/53/72/59/1238537259.db2.gz MUDPWSSEUMSKPG-IEBWSBKVSA-N 2 0 325.541 2.301 10 0 EEAERP C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903215976 1240029452 /nfs/dbraw/zinc/02/94/52/1240029452.db2.gz RUTHEIXXAYNOBQ-YTQUADARSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827076534 1249791809 /nfs/dbraw/zinc/79/18/09/1249791809.db2.gz ROPITQBPBXPKPW-HIFRSBDPSA-N 2 0 338.883 2.424 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439311 1240474650 /nfs/dbraw/zinc/47/46/50/1240474650.db2.gz FPNOYMBASAAWFR-RDBSUJKOSA-N 2 0 335.414 2.237 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCc1c(F)cccc1F)C2 ZINC000903494676 1240663746 /nfs/dbraw/zinc/66/37/46/1240663746.db2.gz KGVVKRFZAQOJEP-JCGVRSQUSA-N 2 0 338.398 2.110 10 0 EEAERP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496831 1240675278 /nfs/dbraw/zinc/67/52/78/1240675278.db2.gz GNOTXRMUTBBRHU-SJLPKXTDSA-N 2 0 347.503 2.049 10 0 EEAERP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903896936 1242376272 /nfs/dbraw/zinc/37/62/72/1242376272.db2.gz BRMLZMWCIQECHF-HYVNUMGLSA-N 2 0 335.496 2.228 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cnn1C ZINC000903904386 1242417085 /nfs/dbraw/zinc/41/70/85/1242417085.db2.gz TYXNWQRHWHWOGQ-KXBFYZLASA-N 2 0 328.460 2.389 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000903922760 1242515450 /nfs/dbraw/zinc/51/54/50/1242515450.db2.gz DLBRTMFXEVUQEE-WMZOPIPTSA-N 2 0 328.464 2.127 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927501 1242528344 /nfs/dbraw/zinc/52/83/44/1242528344.db2.gz SGBOGBQIRDTCHA-VQIMIIECSA-N 2 0 344.503 2.195 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)cnn1C ZINC000903937117 1242582091 /nfs/dbraw/zinc/58/20/91/1242582091.db2.gz BODQDUQPIZQIOS-LAUBAEHRSA-N 2 0 338.499 2.436 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc3cc[nH]c3c2)cnn1C ZINC000903937191 1242582295 /nfs/dbraw/zinc/58/22/95/1242582295.db2.gz DRRNYFRAIVKEEV-INIZCTEOSA-N 2 0 325.460 2.459 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@@H]21 ZINC001490980620 1258532438 /nfs/dbraw/zinc/53/24/38/1258532438.db2.gz FJUFWMGCYWJMTE-RTWZZBQXSA-N 2 0 327.900 2.392 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491112425 1258689262 /nfs/dbraw/zinc/68/92/62/1258689262.db2.gz ZBAMPHYBDBXQEC-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491338137 1258966200 /nfs/dbraw/zinc/96/62/00/1258966200.db2.gz MEXHRKBYXYURRL-DFBDCSAJSA-N 2 0 339.499 2.291 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001491455080 1259098636 /nfs/dbraw/zinc/09/86/36/1259098636.db2.gz OBMUBIIDZZJPOM-WBVHZDCISA-N 2 0 349.523 2.105 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001491477229 1259128397 /nfs/dbraw/zinc/12/83/97/1259128397.db2.gz HCNKXHIZHTTWMQ-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505322 1259155890 /nfs/dbraw/zinc/15/58/90/1259155890.db2.gz VVEIHCCGEDHRGY-BBRMVZONSA-N 2 0 338.521 2.166 10 0 EEAERP CO[C@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCOC1 ZINC000850342529 1277188959 /nfs/dbraw/zinc/18/89/59/1277188959.db2.gz MKZSMGQSVVBNGS-OXQOHEQNSA-N 2 0 347.503 2.363 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN([C@@H]3CCOC3)CC2)n(C)n1 ZINC000850554374 1277266271 /nfs/dbraw/zinc/26/62/71/1277266271.db2.gz CUTLYCMIPAJZOX-ILZDJORESA-N 2 0 346.519 2.283 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001489267971 1290474608 /nfs/dbraw/zinc/47/46/08/1290474608.db2.gz UJXUFGYVGXLMJK-PVAVHDDUSA-N 2 0 327.488 2.436 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001490256778 1291081704 /nfs/dbraw/zinc/08/17/04/1291081704.db2.gz XHMZYSHMJBXXIP-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP Cc1conc1CN[C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001490310993 1291185726 /nfs/dbraw/zinc/18/57/26/1291185726.db2.gz FNIVQMNPXFCUAP-DOTOQJQBSA-N 2 0 336.480 2.182 10 0 EEAERP CC(C)OCCC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001490408709 1291320215 /nfs/dbraw/zinc/32/02/15/1291320215.db2.gz AOZAEDVPVZKRHZ-UHFFFAOYSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2)[NH+]1CCCC1 ZINC001490609016 1291519906 /nfs/dbraw/zinc/51/99/06/1291519906.db2.gz IPTKILDHHCVLEL-IAGOWNOFSA-N 2 0 339.499 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCOCC)C1 ZINC001490766371 1291703373 /nfs/dbraw/zinc/70/33/73/1291703373.db2.gz NGABCYWTMUCKIJ-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000854514886 1292824898 /nfs/dbraw/zinc/82/48/98/1292824898.db2.gz LFXGTAIXKOMKSV-FXRXJOCMSA-N 2 0 327.472 2.470 10 0 EEAERP CSC1(C[NH2+]Cc2cn(C)nc2Br)CC[NH+](C)CC1 ZINC000858166047 1294030400 /nfs/dbraw/zinc/03/04/00/1294030400.db2.gz XQHGJCKMQFAFCJ-UHFFFAOYSA-N 2 0 347.326 2.100 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858500304 1294134972 /nfs/dbraw/zinc/13/49/72/1294134972.db2.gz AFRDFFODTHGXSG-CVEARBPZSA-N 2 0 343.512 2.190 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C)o3)C2)ccn1 ZINC000862424795 1295845203 /nfs/dbraw/zinc/84/52/03/1295845203.db2.gz GGKYPNPSJSVXCQ-KRWDZBQOSA-N 2 0 330.432 2.483 10 0 EEAERP CCOc1cccc(C[N@H+](C)C[C@@]2(O)CCOC3(CC[NH2+]CC3)C2)c1 ZINC000409420047 1298008612 /nfs/dbraw/zinc/00/86/12/1298008612.db2.gz VZCOODSCDOLLLJ-LJQANCHMSA-N 2 0 348.487 2.181 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001277032556 1300959945 /nfs/dbraw/zinc/95/99/45/1300959945.db2.gz DHNWAGPJSQSIFP-SHTZXODSSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277148038 1301514530 /nfs/dbraw/zinc/51/45/30/1301514530.db2.gz KEGLDTFJCXARHY-QAPCUYQASA-N 2 0 349.523 2.241 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncs1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277280433 1302160556 /nfs/dbraw/zinc/16/05/56/1302160556.db2.gz QASZHLDQPPKYRI-ILXRZTDVSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001277988460 1305609529 /nfs/dbraw/zinc/60/95/29/1305609529.db2.gz PUPWWQMNDAJSLL-GOSISDBHSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(Cl)n1 ZINC000841850501 1315622500 /nfs/dbraw/zinc/62/25/00/1315622500.db2.gz CFEUYVLXKXVWDH-YDHLFZDLSA-N 2 0 338.883 2.315 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278594340 1317306531 /nfs/dbraw/zinc/30/65/31/1317306531.db2.gz NWMZOSKWMXRQCS-NVXWUHKLSA-N 2 0 335.467 2.194 10 0 EEAERP COCCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001279089575 1319229444 /nfs/dbraw/zinc/22/94/44/1319229444.db2.gz HGXAOEHZBONNTN-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264987791 1322835647 /nfs/dbraw/zinc/83/56/47/1322835647.db2.gz LPCFSHUYYZRJQG-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088757 1322914331 /nfs/dbraw/zinc/91/43/31/1322914331.db2.gz FSSCUZYWKCNWMI-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCOC3CCC3)C2)c1 ZINC001265459955 1323166823 /nfs/dbraw/zinc/16/68/23/1323166823.db2.gz SDOYHHXYZPIMPL-SFHVURJKSA-N 2 0 345.487 2.121 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001265551542 1323216952 /nfs/dbraw/zinc/21/69/52/1323216952.db2.gz CKOYENVIANCFHF-FGTMMUONSA-N 2 0 345.487 2.013 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001265572392 1323225525 /nfs/dbraw/zinc/22/55/25/1323225525.db2.gz FYXKAJYQDBRCFZ-OKILXGFUSA-N 2 0 335.414 2.442 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)c1ccccc1 ZINC001265631012 1323281598 /nfs/dbraw/zinc/28/15/98/1323281598.db2.gz UVHOJWWDXNWGHD-WMZOPIPTSA-N 2 0 335.467 2.477 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOC(C)C ZINC001265692071 1323324928 /nfs/dbraw/zinc/32/49/28/1323324928.db2.gz YAOOJCYGRQIXKU-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CN(C)c1ccccc1C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265953762 1323516226 /nfs/dbraw/zinc/51/62/26/1323516226.db2.gz FEODABQPRBEETL-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001265976065 1323536514 /nfs/dbraw/zinc/53/65/14/1323536514.db2.gz HFPGWXPDDWHZMD-BFYDXBDKSA-N 2 0 335.517 2.069 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001265997466 1323553798 /nfs/dbraw/zinc/55/37/98/1323553798.db2.gz GBWQVFZZEPIVOW-INIZCTEOSA-N 2 0 339.443 2.119 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001266029191 1323580095 /nfs/dbraw/zinc/58/00/95/1323580095.db2.gz MDUBGTSWVJVYQI-OCTSTCLRSA-N 2 0 339.483 2.234 10 0 EEAERP COCC[NH2+][C@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001280350088 1324166031 /nfs/dbraw/zinc/16/60/31/1324166031.db2.gz CXNSSQGFHOFFOH-MRXNPFEDSA-N 2 0 345.487 2.228 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001280745941 1324471762 /nfs/dbraw/zinc/47/17/62/1324471762.db2.gz FTBYDLRLNFTVGW-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001282003069 1325565231 /nfs/dbraw/zinc/56/52/31/1325565231.db2.gz WCIZNBIOYGRJGB-UHFFFAOYSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001283078903 1325911702 /nfs/dbraw/zinc/91/17/02/1325911702.db2.gz VPAWLVVJUJTYFM-TUVASFSCSA-N 2 0 347.425 2.440 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1F ZINC001491682491 1330204195 /nfs/dbraw/zinc/20/41/95/1330204195.db2.gz LWASUXXDJDWFRJ-YJBOKZPZSA-N 2 0 335.467 2.337 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854916 1330275190 /nfs/dbraw/zinc/27/51/90/1330275190.db2.gz AMNNNGBJAGGRFB-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001491873404 1330283484 /nfs/dbraw/zinc/28/34/84/1330283484.db2.gz FPMXDQGAPJOJOG-LSDHHAIUSA-N 2 0 339.505 2.087 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC001491882908 1330287981 /nfs/dbraw/zinc/28/79/81/1330287981.db2.gz RBCSFSJSGKUVST-CABCVRRESA-N 2 0 338.521 2.044 10 0 EEAERP CCCC[NH2+]CCc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001491901875 1330296813 /nfs/dbraw/zinc/29/68/13/1330296813.db2.gz BTRPWUKVXJQQMA-UHFFFAOYSA-N 2 0 329.488 2.331 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001492128764 1330981760 /nfs/dbraw/zinc/98/17/60/1330981760.db2.gz DXPQZSSEESBEPX-CQSZACIVSA-N 2 0 338.521 2.312 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnoc1C)[NH+](C)C ZINC001492164635 1331029345 /nfs/dbraw/zinc/02/93/45/1331029345.db2.gz CEHHPWWKHNKFLB-IRXDYDNUSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC1(F)F ZINC001492303091 1331141879 /nfs/dbraw/zinc/14/18/79/1331141879.db2.gz CZWCZZRVVKBZDT-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1)[NH+](C)C ZINC001317028026 1332049690 /nfs/dbraw/zinc/04/96/90/1332049690.db2.gz APFYQSTUMLYOIE-CABCVRRESA-N 2 0 338.883 2.060 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001317063071 1332066135 /nfs/dbraw/zinc/06/61/35/1332066135.db2.gz YKBXUEQOTOYEQY-PKOBYXMFSA-N 2 0 347.503 2.151 10 0 EEAERP Cc1ccccc1OCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001317587284 1332310568 /nfs/dbraw/zinc/31/05/68/1332310568.db2.gz XLISVLWENMNPRG-SFHVURJKSA-N 2 0 347.503 2.295 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317596597 1332316871 /nfs/dbraw/zinc/31/68/71/1332316871.db2.gz VBYMABZDRXQSEJ-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317648654 1332348074 /nfs/dbraw/zinc/34/80/74/1332348074.db2.gz NRQOIICUKKSBQF-UHFFFAOYSA-N 2 0 343.515 2.399 10 0 EEAERP CN(CC[NH2+]Cc1sccc1Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317655897 1332352565 /nfs/dbraw/zinc/35/25/65/1332352565.db2.gz SYWADXNKNJSLPP-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001318561047 1332561324 /nfs/dbraw/zinc/56/13/24/1332561324.db2.gz FULSUCPQYMYEJM-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C2CC2)CC[N@@H+]1C ZINC001318699329 1332579625 /nfs/dbraw/zinc/57/96/25/1332579625.db2.gz VDUDINIGPDYJAE-UXIGCNINSA-N 2 0 335.414 2.154 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001318847784 1332610790 /nfs/dbraw/zinc/61/07/90/1332610790.db2.gz ACCGLDHRRINPFB-MSOLQXFVSA-N 2 0 344.503 2.142 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001319749382 1332757871 /nfs/dbraw/zinc/75/78/71/1332757871.db2.gz FHBIPILQZCHYIM-OALUTQOASA-N 2 0 333.520 2.489 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1C ZINC001320464925 1332890524 /nfs/dbraw/zinc/89/05/24/1332890524.db2.gz VTZUNRKCQWMKBY-YJBOKZPZSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001321104340 1333020284 /nfs/dbraw/zinc/02/02/84/1333020284.db2.gz APVQQOOBOALNSX-KJPDOMRESA-N 2 0 338.883 2.083 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001321248330 1333054841 /nfs/dbraw/zinc/05/48/41/1333054841.db2.gz BEULUBLSFBXJQX-ILNYKDOHSA-N 2 0 333.451 2.491 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2Cl)C1 ZINC001321391795 1333093325 /nfs/dbraw/zinc/09/33/25/1333093325.db2.gz HZWGHRYLKXXLHI-HSWBROFVSA-N 2 0 339.842 2.193 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321563352 1333125390 /nfs/dbraw/zinc/12/53/90/1333125390.db2.gz KYEWYFGREVZLQJ-RHSMWYFYSA-N 2 0 337.895 2.461 10 0 EEAERP CN(CCC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322647472 1333300268 /nfs/dbraw/zinc/30/02/68/1333300268.db2.gz AYXWSUAIFODOAA-QGZVFWFLSA-N 2 0 329.444 2.465 10 0 EEAERP CN(CCC[NH2+]Cc1sccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322648079 1333300508 /nfs/dbraw/zinc/30/05/08/1333300508.db2.gz ISRVWZIUFIKDGR-CYBMUJFWSA-N 2 0 329.897 2.434 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001322693874 1333308557 /nfs/dbraw/zinc/30/85/57/1333308557.db2.gz LOKURKNNQJOWQH-OAHLLOKOSA-N 2 0 335.467 2.414 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001322851612 1333341282 /nfs/dbraw/zinc/34/12/82/1333341282.db2.gz BGAGCFOVGVDVQY-KRWDZBQOSA-N 2 0 336.480 2.050 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CCF ZINC001324213754 1333636576 /nfs/dbraw/zinc/63/65/76/1333636576.db2.gz RFRNBCJFAHJYAF-SJORKVTESA-N 2 0 325.472 2.334 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001324749788 1333751720 /nfs/dbraw/zinc/75/17/20/1333751720.db2.gz BUOPBHXJFDQEGM-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001324817414 1333766493 /nfs/dbraw/zinc/76/64/93/1333766493.db2.gz IEBAIBZSMITPTM-LPHOPBHVSA-N 2 0 347.507 2.098 10 0 EEAERP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001324947650 1333794417 /nfs/dbraw/zinc/79/44/17/1333794417.db2.gz KZILUWOKVPXBPU-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001325325873 1333863684 /nfs/dbraw/zinc/86/36/84/1333863684.db2.gz WWHMUKRBWDMFAP-IAGOWNOFSA-N 2 0 336.455 2.258 10 0 EEAERP COCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325396125 1333879026 /nfs/dbraw/zinc/87/90/26/1333879026.db2.gz HNJPCESMBCNGPO-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001326351014 1334074386 /nfs/dbraw/zinc/07/43/86/1334074386.db2.gz UETLJMKNIYEEGG-KKUMJFAQSA-N 2 0 349.441 2.497 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326989734 1334197869 /nfs/dbraw/zinc/19/78/69/1334197869.db2.gz VUBOJVFEOCKRDR-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC2CC[NH+](C3CC3)CC2)cc(Cl)n1 ZINC001327181054 1334241538 /nfs/dbraw/zinc/24/15/38/1334241538.db2.gz LYBNNXIRHMMCLP-HNNXBMFYSA-N 2 0 336.867 2.176 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327308887 1334264404 /nfs/dbraw/zinc/26/44/04/1334264404.db2.gz RKFBTVCUMSQFFR-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCOCC1 ZINC001327669620 1334330709 /nfs/dbraw/zinc/33/07/09/1334330709.db2.gz JELCXNSYRDWZGR-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001327904898 1334362162 /nfs/dbraw/zinc/36/21/62/1334362162.db2.gz SMXWZCJWAXBOSL-DZGCQCFKSA-N 2 0 349.441 2.497 10 0 EEAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(F)c1 ZINC001329155508 1334596667 /nfs/dbraw/zinc/59/66/67/1334596667.db2.gz CGAQPFWFFGVMMT-GOSISDBHSA-N 2 0 329.419 2.467 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001329845986 1334725901 /nfs/dbraw/zinc/72/59/01/1334725901.db2.gz NVYABTSIGFKFIA-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)COCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001329910084 1334738133 /nfs/dbraw/zinc/73/81/33/1334738133.db2.gz ZAAMCOYZDGDXAQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001329923267 1334740994 /nfs/dbraw/zinc/74/09/94/1334740994.db2.gz ITWYCFPFFNUHRT-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001330400776 1334836247 /nfs/dbraw/zinc/83/62/47/1334836247.db2.gz DWRSADPBMLBVQX-MSOLQXFVSA-N 2 0 349.519 2.034 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCC3CC3)C2)ccn1 ZINC001331002084 1334944603 /nfs/dbraw/zinc/94/46/03/1334944603.db2.gz IQQLSICIYWJPHO-LJQANCHMSA-N 2 0 333.476 2.413 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001331458133 1335017407 /nfs/dbraw/zinc/01/74/07/1335017407.db2.gz ZWJOPMLAZZUPTM-COXVUDFISA-N 2 0 336.455 2.388 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001331928801 1335678969 /nfs/dbraw/zinc/67/89/69/1335678969.db2.gz OLQXCAPNZZUVMH-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332279672 1335790207 /nfs/dbraw/zinc/79/02/07/1335790207.db2.gz IMMZIRXBPVGWGQ-JKSUJKDBSA-N 2 0 344.459 2.167 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332427032 1335822070 /nfs/dbraw/zinc/82/20/70/1335822070.db2.gz HSXCTOKCJWSHPY-HZPDHXFCSA-N 2 0 327.488 2.436 10 0 EEAERP COCCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001333089528 1335961041 /nfs/dbraw/zinc/96/10/41/1335961041.db2.gz VHODQHDNJFIMLE-UHFFFAOYSA-N 2 0 339.524 2.255 10 0 EEAERP C/C(=C/c1ccncc1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000847488322 1338098674 /nfs/dbraw/zinc/09/86/74/1338098674.db2.gz WWIHZYFDAZCMHT-MSUUIHNZSA-N 2 0 332.492 2.217 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC001433422265 1341592568 /nfs/dbraw/zinc/59/25/68/1341592568.db2.gz SDLPUBNGLSISMB-HOTGVXAUSA-N 2 0 343.462 2.439 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001433627657 1341643345 /nfs/dbraw/zinc/64/33/45/1341643345.db2.gz UGBUQDSEIJXFAB-RTBURBONSA-N 2 0 347.478 2.449 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CCCc1cccc(F)c1 ZINC001499119391 1342108177 /nfs/dbraw/zinc/10/81/77/1342108177.db2.gz DJFYJWDSONRPHP-SFHVURJKSA-N 2 0 333.451 2.045 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001567139013 1342700531 /nfs/dbraw/zinc/70/05/31/1342700531.db2.gz SCOFDEXPVKZNSW-GFCCVEGCSA-N 2 0 334.291 2.085 10 0 EEAERP C[N@H+](CCCCc1ccccc1)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567281692 1342733099 /nfs/dbraw/zinc/73/30/99/1342733099.db2.gz FAFQVIVILRNDSK-FQEVSTJZSA-N 2 0 343.515 2.399 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)c1ccccc1CC[NH+](C)C ZINC001567535894 1342781668 /nfs/dbraw/zinc/78/16/68/1342781668.db2.gz QZBVSVLCYFNNCU-GOSISDBHSA-N 2 0 347.503 2.021 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001569578325 1342900880 /nfs/dbraw/zinc/90/08/80/1342900880.db2.gz JFQHPTLKLNHFAT-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001570006667 1342997217 /nfs/dbraw/zinc/99/72/17/1342997217.db2.gz RCEDKYHTPNBBJU-YUTKMCBRSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001570022200 1343001834 /nfs/dbraw/zinc/00/18/34/1343001834.db2.gz POGCKRZSFNKQEY-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP CCCCC[N@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001676074964 1357101594 /nfs/dbraw/zinc/10/15/94/1357101594.db2.gz YEFXCQTZPIRDNB-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001570183322 1343028580 /nfs/dbraw/zinc/02/85/80/1343028580.db2.gz IHYNMSHEQOSYSF-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001570437138 1343069272 /nfs/dbraw/zinc/06/92/72/1343069272.db2.gz JNFXNNGZDHNHBF-GDBMZVCRSA-N 2 0 344.459 2.262 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001676461840 1357153225 /nfs/dbraw/zinc/15/32/25/1357153225.db2.gz RQVXVZCYQRJZJF-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001676952424 1357248433 /nfs/dbraw/zinc/24/84/33/1357248433.db2.gz WJOBVXOVXLUXBP-RBUKOAKNSA-N 2 0 343.515 2.445 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001676975159 1357253346 /nfs/dbraw/zinc/25/33/46/1357253346.db2.gz NYUCECPCRIWXLZ-FUHWJXTLSA-N 2 0 347.478 2.339 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(F)cc1 ZINC001647322656 1353230869 /nfs/dbraw/zinc/23/08/69/1353230869.db2.gz XFTGFODTKDUAPE-BBWFWOEESA-N 2 0 346.450 2.155 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccc(F)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649454542 1353514404 /nfs/dbraw/zinc/51/44/04/1353514404.db2.gz OQADTTYTGQJBEW-SUMWQHHRSA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251029 1353941825 /nfs/dbraw/zinc/94/18/25/1353941825.db2.gz IDHJJGOXWNCHBX-CABCVRRESA-N 2 0 338.521 2.344 10 0 EEAERP CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001656353477 1354225021 /nfs/dbraw/zinc/22/50/21/1354225021.db2.gz DGUPCYZPWMSACN-FGTMMUONSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001656908495 1354298418 /nfs/dbraw/zinc/29/84/18/1354298418.db2.gz IIEAQORDIBFUFJ-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662778583 1354844523 /nfs/dbraw/zinc/84/45/23/1354844523.db2.gz HUPISJIRJIXTEC-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)COCC[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001662844529 1354862246 /nfs/dbraw/zinc/86/22/46/1354862246.db2.gz HFIOTOHNNCZRLF-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001663932093 1355056510 /nfs/dbraw/zinc/05/65/10/1355056510.db2.gz UACLPDREUVNLCY-UHFFFAOYSA-N 2 0 347.503 2.378 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001664018547 1355074657 /nfs/dbraw/zinc/07/46/57/1355074657.db2.gz SQCFHBJEFCSODL-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001665808504 1355392324 /nfs/dbraw/zinc/39/23/24/1355392324.db2.gz DLKXQCUEPWEZRP-LSDHHAIUSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976764 1355626333 /nfs/dbraw/zinc/62/63/33/1355626333.db2.gz KYPZQZCGVPSLOI-VGMNTSGFSA-N 2 0 329.488 2.478 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667150778 1355658090 /nfs/dbraw/zinc/65/80/90/1355658090.db2.gz HRFQHSUPEOALAG-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001667257100 1355689564 /nfs/dbraw/zinc/68/95/64/1355689564.db2.gz BAHFHHVUHZWLRY-RBUKOAKNSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001668872599 1356031637 /nfs/dbraw/zinc/03/16/37/1356031637.db2.gz KPFMJOSCYYSKJR-VOFKWLDRSA-N 2 0 345.487 2.065 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCCC(F)(F)F ZINC001668887613 1356036020 /nfs/dbraw/zinc/03/60/20/1356036020.db2.gz OEVLPLMOCSXJGF-VBROQKIQSA-N 2 0 335.414 2.465 10 0 EEAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001668929401 1356047656 /nfs/dbraw/zinc/04/76/56/1356047656.db2.gz GVILASYBZQOEIM-MBVDDHJVSA-N 2 0 327.432 2.189 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001670158207 1356287539 /nfs/dbraw/zinc/28/75/39/1356287539.db2.gz NTQMVOSIXYPIIX-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001670352540 1356325309 /nfs/dbraw/zinc/32/53/09/1356325309.db2.gz FCJGAPVDQMNIOU-ZIAGYGMSSA-N 2 0 336.480 2.102 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001672246253 1356487631 /nfs/dbraw/zinc/48/76/31/1356487631.db2.gz GWEFHCHWPYXZSS-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001672326831 1356502242 /nfs/dbraw/zinc/50/22/42/1356502242.db2.gz FKDSKNXNNSLSGO-WMZOPIPTSA-N 2 0 349.494 2.394 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)CCC(F)(F)F ZINC001691751144 1356814584 /nfs/dbraw/zinc/81/45/84/1356814584.db2.gz CYPMTJLLEFYWHV-CQSZACIVSA-N 2 0 337.430 2.497 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCCOC)CC1 ZINC001674812773 1356900209 /nfs/dbraw/zinc/90/02/09/1356900209.db2.gz WGZWMJWQCBSWJO-DAWZGUTISA-N 2 0 339.524 2.257 10 0 EEAERP CCC[NH2+]CCCOC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001675157567 1356939820 /nfs/dbraw/zinc/93/98/20/1356939820.db2.gz JXIGCCWMXMMSQM-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001675473175 1356990750 /nfs/dbraw/zinc/99/07/50/1356990750.db2.gz JQUOHBVCRQWGJH-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001675726851 1357043004 /nfs/dbraw/zinc/04/30/04/1357043004.db2.gz ONRCXQAHCKLMAG-ZVZYQTTQSA-N 2 0 349.906 2.461 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001675914485 1357068741 /nfs/dbraw/zinc/06/87/41/1357068741.db2.gz DRYOKAOTHUFMRG-OAHLLOKOSA-N 2 0 332.492 2.249 10 0 EEAERP CC[N@H+](CCCNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1)C1CCCCC1 ZINC001683640283 1358194850 /nfs/dbraw/zinc/19/48/50/1358194850.db2.gz CHMJEOOEOUUUOH-AEFFLSMTSA-N 2 0 336.524 2.377 10 0 EEAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001698791965 1405067439 /nfs/dbraw/zinc/06/74/39/1405067439.db2.gz ICRFMJDFEPKXMS-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001698889661 1405132030 /nfs/dbraw/zinc/13/20/30/1405132030.db2.gz BESDFYAUVZVKHV-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)on1 ZINC001699545515 1405380068 /nfs/dbraw/zinc/38/00/68/1405380068.db2.gz SUEDLRTVHIMEQT-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699550633 1405386361 /nfs/dbraw/zinc/38/63/61/1405386361.db2.gz JXXNTSNYFFBWJW-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001699761359 1405471349 /nfs/dbraw/zinc/47/13/49/1405471349.db2.gz CFTXFOPTZFBIQI-OLZOCXBDSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699950694 1405599547 /nfs/dbraw/zinc/59/95/47/1405599547.db2.gz PBRFAHVZWLAASS-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc(Cl)n1 ZINC000846694586 790417779 /nfs/dbraw/zinc/41/77/79/790417779.db2.gz QUIWZCUHKUKJHF-NILFDRSVSA-N 2 0 338.883 2.409 10 0 EEAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000925835369 779060742 /nfs/dbraw/zinc/06/07/42/779060742.db2.gz SHWVXTLYGDCVHG-QMIVOQANSA-N 2 0 336.398 2.233 10 0 EEAERP CC(=O)c1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1C ZINC000912302829 788096019 /nfs/dbraw/zinc/09/60/19/788096019.db2.gz GXWRGYZYYHVSFV-HNNXBMFYSA-N 2 0 333.476 2.199 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000912996297 788549218 /nfs/dbraw/zinc/54/92/18/788549218.db2.gz NSKWUAGPLXYCCM-IBGZPJMESA-N 2 0 341.499 2.451 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711282403 788610151 /nfs/dbraw/zinc/61/01/51/788610151.db2.gz NCAGYCBXGWRZKS-ZWKOTPCHSA-N 2 0 329.488 2.213 10 0 EEAERP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000844167194 788882959 /nfs/dbraw/zinc/88/29/59/788882959.db2.gz UYEXKYXOGBKXHV-IBGZPJMESA-N 2 0 345.487 2.057 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921531532 789051119 /nfs/dbraw/zinc/05/11/19/789051119.db2.gz YRMXXBFOOTZUBI-GFCCVEGCSA-N 2 0 325.888 2.056 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923327703 789371145 /nfs/dbraw/zinc/37/11/45/789371145.db2.gz HJAVSEKVVRSSBX-QKLQHJQFSA-N 2 0 348.487 2.289 10 0 EEAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000923413538 789520673 /nfs/dbraw/zinc/52/06/73/789520673.db2.gz FWLFZNQHLCWUNR-OTWHNJEPSA-N 2 0 332.488 2.425 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000923451414 789582633 /nfs/dbraw/zinc/58/26/33/789582633.db2.gz LNCVDIJDZMUQFC-SFHVURJKSA-N 2 0 338.455 2.473 10 0 EEAERP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453449 789586960 /nfs/dbraw/zinc/58/69/60/789586960.db2.gz MLWSNUZSGQPTJG-SJORKVTESA-N 2 0 345.487 2.460 10 0 EEAERP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495259 789652785 /nfs/dbraw/zinc/65/27/85/789652785.db2.gz AALAUFJDTFCSHX-IAGOWNOFSA-N 2 0 347.503 2.146 10 0 EEAERP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496774 789669510 /nfs/dbraw/zinc/66/95/10/789669510.db2.gz DIZPXSPYJONYJG-OAGGEKHMSA-N 2 0 342.487 2.132 10 0 EEAERP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923499278 789682866 /nfs/dbraw/zinc/68/28/66/789682866.db2.gz RTLZJXQLDWOFJS-ZWKOTPCHSA-N 2 0 331.504 2.187 10 0 EEAERP c1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCCO3)CC1)C[NH2+]CC2 ZINC000846217851 790091427 /nfs/dbraw/zinc/09/14/27/790091427.db2.gz FQDWMGCLKHLFFP-HXUWFJFHSA-N 2 0 330.472 2.492 10 0 EEAERP C/C(=C\C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)CN1CCOCC1 ZINC000913792802 794285180 /nfs/dbraw/zinc/28/51/80/794285180.db2.gz SEBYNXJQOPXXNV-FBMGVBCBSA-N 2 0 349.519 2.132 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914076088 794834354 /nfs/dbraw/zinc/83/43/54/794834354.db2.gz PPBRZQFDWSQTKI-SJLPKXTDSA-N 2 0 347.507 2.106 10 0 EEAERP O=C(NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716672702 796405876 /nfs/dbraw/zinc/40/58/76/796405876.db2.gz KRVTVNMHCOXVMJ-WDSOQIARSA-N 2 0 327.472 2.155 10 0 EEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000922012110 798661732 /nfs/dbraw/zinc/66/17/32/798661732.db2.gz NZYPQYHTUJFHND-UHFFFAOYSA-N 2 0 332.448 2.039 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001566453628 1125613607 /nfs/dbraw/zinc/61/36/07/1125613607.db2.gz FNCFWXHVCUJYDB-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001566516578 1125687988 /nfs/dbraw/zinc/68/79/88/1125687988.db2.gz QDZBOCNYSOOUFV-DOTOQJQBSA-N 2 0 333.476 2.146 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001436420843 1087782795 /nfs/dbraw/zinc/78/27/95/1087782795.db2.gz FDYQKCPTVIHGNC-VDZJLULYSA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001436460351 1087912020 /nfs/dbraw/zinc/91/20/20/1087912020.db2.gz PRTZCUINIFAGRG-ZACQAIPSSA-N 2 0 341.515 2.493 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001436474395 1087941625 /nfs/dbraw/zinc/94/16/25/1087941625.db2.gz HGRWIBYJSOXNDR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCC1CCOCC1 ZINC001436481532 1087964478 /nfs/dbraw/zinc/96/44/78/1087964478.db2.gz NFLMGPOBCDDJKY-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)CC(C)(C)C1 ZINC001436496844 1088009799 /nfs/dbraw/zinc/00/97/99/1088009799.db2.gz DCZNDQBHUOAXCI-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC001436799096 1088369712 /nfs/dbraw/zinc/36/97/12/1088369712.db2.gz OLLFHXBUDXQZJY-ZWKOTPCHSA-N 2 0 333.451 2.294 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)Cc2cncs2)C1 ZINC001436844296 1088482067 /nfs/dbraw/zinc/48/20/67/1088482067.db2.gz GMJWWRZLGUJNGR-HNNXBMFYSA-N 2 0 338.521 2.155 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)C1 ZINC001436963598 1088654047 /nfs/dbraw/zinc/65/40/47/1088654047.db2.gz IBJKBJJUYPLSEJ-OKILXGFUSA-N 2 0 348.422 2.046 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001437015720 1088799980 /nfs/dbraw/zinc/79/99/80/1088799980.db2.gz AVPXLLQGMKFRJC-DOOVCASASA-N 2 0 336.307 2.474 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)c(C)s1 ZINC001437092883 1089047536 /nfs/dbraw/zinc/04/75/36/1089047536.db2.gz YRJYXSNNQXCRHZ-UHFFFAOYSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCOCC1 ZINC001437211865 1089288309 /nfs/dbraw/zinc/28/83/09/1089288309.db2.gz FTWQEUASEBBJKF-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1coc(C2CC2)n1 ZINC001437369535 1089606711 /nfs/dbraw/zinc/60/67/11/1089606711.db2.gz GDNXZXGBGXPYFE-WMLDXEAASA-N 2 0 348.491 2.409 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCc1ccc(C)cc1 ZINC001437641637 1090159792 /nfs/dbraw/zinc/15/97/92/1090159792.db2.gz QFZHJELRZJSYRX-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001437717941 1090266953 /nfs/dbraw/zinc/26/69/53/1090266953.db2.gz CVVHTWSDUDOFBR-GJZGRUSLSA-N 2 0 343.462 2.202 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437718997 1090269544 /nfs/dbraw/zinc/26/95/44/1090269544.db2.gz GJIFZVHKOLDGDM-KGLIPLIRSA-N 2 0 339.430 2.416 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001437919883 1090507421 /nfs/dbraw/zinc/50/74/21/1090507421.db2.gz QPCBESVXMUTNAC-FMQFUMSTSA-N 2 0 327.900 2.440 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437990265 1090586833 /nfs/dbraw/zinc/58/68/33/1090586833.db2.gz MNKKNPCLFAGWRJ-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC2CC(F)(F)C2)CC1 ZINC001438003374 1090601816 /nfs/dbraw/zinc/60/18/16/1090601816.db2.gz BHIWMRMTZIXMDL-UHFFFAOYSA-N 2 0 331.451 2.154 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438161100 1090673931 /nfs/dbraw/zinc/67/39/31/1090673931.db2.gz QZCLMQBXZJXUSW-HZPDHXFCSA-N 2 0 333.520 2.488 10 0 EEAERP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001438181792 1090685803 /nfs/dbraw/zinc/68/58/03/1090685803.db2.gz WTIUIQUJULQNNE-OALUTQOASA-N 2 0 329.488 2.163 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001438236881 1090716719 /nfs/dbraw/zinc/71/67/19/1090716719.db2.gz DMLPRUNGNZOCOH-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001438367589 1090844412 /nfs/dbraw/zinc/84/44/12/1090844412.db2.gz NAAIASQPXSGWNA-JKSUJKDBSA-N 2 0 329.444 2.369 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnccc1C ZINC001438377689 1090859042 /nfs/dbraw/zinc/85/90/42/1090859042.db2.gz QHIFVVPLDMRGNW-OALUTQOASA-N 2 0 346.519 2.495 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]Cc3cncs3)CCCC2)CC1 ZINC001438398829 1090886014 /nfs/dbraw/zinc/88/60/14/1090886014.db2.gz CEGRZZCTQNUDAH-UHFFFAOYSA-N 2 0 336.505 2.004 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438415038 1090907496 /nfs/dbraw/zinc/90/74/96/1090907496.db2.gz NRTLJXALKXNGLW-ICSRJNTNSA-N 2 0 344.503 2.329 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001438537611 1091029881 /nfs/dbraw/zinc/02/98/81/1091029881.db2.gz CGKOKDPJZHHZEC-RDTXWAMCSA-N 2 0 330.476 2.350 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cncc(C)c2)C1 ZINC001445429079 1091185386 /nfs/dbraw/zinc/18/53/86/1091185386.db2.gz MMNIKKFWLHRHTO-AEFFLSMTSA-N 2 0 332.492 2.106 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001445436039 1091195466 /nfs/dbraw/zinc/19/54/66/1091195466.db2.gz RKWNMJGIKBPCMS-CABCVRRESA-N 2 0 333.476 2.192 10 0 EEAERP C[C@H](C[NH2+]CC1CCOCC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001438695488 1091199337 /nfs/dbraw/zinc/19/93/37/1091199337.db2.gz QXVLZFMDXZJQOR-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C)nc1C)C(C)C)[NH+](C)C ZINC001438834446 1091458093 /nfs/dbraw/zinc/45/80/93/1091458093.db2.gz KBBRVQAGRFEBRS-QZTJIDSGSA-N 2 0 334.508 2.269 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001438905529 1091567871 /nfs/dbraw/zinc/56/78/71/1091567871.db2.gz YXSULQAMCMXYBM-GOSISDBHSA-N 2 0 331.504 2.448 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439168189 1091814753 /nfs/dbraw/zinc/81/47/53/1091814753.db2.gz QLNPBKXIIXRQFB-OAHLLOKOSA-N 2 0 327.472 2.254 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC001446017103 1092001045 /nfs/dbraw/zinc/00/10/45/1092001045.db2.gz SBCKOXYHGPAEIZ-HZPDHXFCSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001446200225 1092276426 /nfs/dbraw/zinc/27/64/26/1092276426.db2.gz AKBDKWQHYMAZDC-HNNXBMFYSA-N 2 0 327.488 2.485 10 0 EEAERP COc1ccc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)cc1 ZINC001446225488 1092330150 /nfs/dbraw/zinc/33/01/50/1092330150.db2.gz RXERVVHCAHCOGW-UHFFFAOYSA-N 2 0 345.487 2.308 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001439499642 1092332163 /nfs/dbraw/zinc/33/21/63/1092332163.db2.gz RRXHBUUCMRQAAH-KRWDZBQOSA-N 2 0 339.430 2.289 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC3(CCN(C(=O)CC[NH+](C)C)C3)CC2)o1 ZINC001446331420 1092535412 /nfs/dbraw/zinc/53/54/12/1092535412.db2.gz PGZIFGSHPMHMRS-UHFFFAOYSA-N 2 0 348.491 2.058 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001439851463 1092867716 /nfs/dbraw/zinc/86/77/16/1092867716.db2.gz NLHZJFZWKNZYHT-MJGOQNOKSA-N 2 0 332.492 2.283 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001439853906 1092873118 /nfs/dbraw/zinc/87/31/18/1092873118.db2.gz BGRJCSBRKKLIHP-QFBILLFUSA-N 2 0 333.451 2.248 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001439885527 1092938593 /nfs/dbraw/zinc/93/85/93/1092938593.db2.gz MLKLVYKTSDFOAC-OXQOHEQNSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@@]1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC[N@H+](CCC2CC2)C1 ZINC001439932544 1093017780 /nfs/dbraw/zinc/01/77/80/1093017780.db2.gz FRQRGUSKVMMDGQ-QUCCMNQESA-N 2 0 333.520 2.347 10 0 EEAERP CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001439976557 1093096555 /nfs/dbraw/zinc/09/65/55/1093096555.db2.gz UQDJGRRENDGOEL-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C)no1 ZINC001440137149 1093202927 /nfs/dbraw/zinc/20/29/27/1093202927.db2.gz OZVYRSNGTMYGPU-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP COc1ccc(C[NH+]2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)cc1 ZINC001440230351 1093313461 /nfs/dbraw/zinc/31/34/61/1093313461.db2.gz LRPBXDQJMYJBOJ-UHFFFAOYSA-N 2 0 345.487 2.071 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1C[C@@H]1CCC(F)(F)C1 ZINC001440243371 1093332461 /nfs/dbraw/zinc/33/24/61/1093332461.db2.gz ARJWLJLRTKBIAD-HUUCEWRRSA-N 2 0 331.451 2.296 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001448595360 1093655575 /nfs/dbraw/zinc/65/55/75/1093655575.db2.gz MACDQTRUAGOGQA-IAGOWNOFSA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001440475552 1093704957 /nfs/dbraw/zinc/70/49/57/1093704957.db2.gz SWQRDILFOVVAJM-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001440478880 1093710023 /nfs/dbraw/zinc/71/00/23/1093710023.db2.gz XKZVNHYKWNLBRY-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ccc2c(c1)COC2 ZINC001440484955 1093718585 /nfs/dbraw/zinc/71/85/85/1093718585.db2.gz UTUFDIICTWEMNS-UHFFFAOYSA-N 2 0 347.503 2.337 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC001440495406 1093733981 /nfs/dbraw/zinc/73/39/81/1093733981.db2.gz IRTKOCPYDGAZTR-KFWWJZLASA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001448666544 1093734213 /nfs/dbraw/zinc/73/42/13/1093734213.db2.gz AUWJDUPZZQODIQ-GOEBONIOSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001448675227 1093742399 /nfs/dbraw/zinc/74/23/99/1093742399.db2.gz GNTZJQXLUUVJQJ-CZUORRHYSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001448698272 1093762519 /nfs/dbraw/zinc/76/25/19/1093762519.db2.gz MRVGNNFUILYELQ-YOEHRIQHSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)o1 ZINC001440610474 1093875133 /nfs/dbraw/zinc/87/51/33/1093875133.db2.gz ONHIINMUHIWVPI-UHFFFAOYSA-N 2 0 348.491 2.104 10 0 EEAERP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001440613404 1093879816 /nfs/dbraw/zinc/87/98/16/1093879816.db2.gz OFDDBWUHLBURRO-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001440835152 1094087715 /nfs/dbraw/zinc/08/77/15/1094087715.db2.gz MDYFKRUSOGNUSX-OLZOCXBDSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001440839012 1094093322 /nfs/dbraw/zinc/09/33/22/1094093322.db2.gz PAWYQWSJIODXOE-LSDHHAIUSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ncc(C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]2CCCC2)s1 ZINC001440888612 1094147292 /nfs/dbraw/zinc/14/72/92/1094147292.db2.gz TVCHMANVPSPGKY-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H](O)C[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001441105484 1094412515 /nfs/dbraw/zinc/41/25/15/1094412515.db2.gz FTEOAGZWIPEJCB-MRXNPFEDSA-N 2 0 347.503 2.151 10 0 EEAERP C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(C/C=C/Cl)C1 ZINC001441180957 1094535909 /nfs/dbraw/zinc/53/59/09/1094535909.db2.gz DGJGYLWODKDPPE-FSJMSVOZSA-N 2 0 345.890 2.388 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CC1 ZINC001441254529 1094652577 /nfs/dbraw/zinc/65/25/77/1094652577.db2.gz JVRIMNZMKZBCAE-JKSUJKDBSA-N 2 0 343.462 2.392 10 0 EEAERP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441367384 1094893836 /nfs/dbraw/zinc/89/38/36/1094893836.db2.gz VMMQPVWBVOEZJG-XLAORIBOSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCOCC1 ZINC001441403548 1094976304 /nfs/dbraw/zinc/97/63/04/1094976304.db2.gz MXZCRHITPGZJJS-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2F)C[C@H]1C ZINC001441824865 1095865978 /nfs/dbraw/zinc/86/59/78/1095865978.db2.gz BGCPFWRBLCJKOB-UKRRQHHQSA-N 2 0 339.430 2.384 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001441982060 1096185082 /nfs/dbraw/zinc/18/50/82/1096185082.db2.gz ALLOFAICTYAAES-SUMWQHHRSA-N 2 0 336.480 2.149 10 0 EEAERP CC(C)N(CC[N@H+](C)CCC[C@@H]1CCOC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001442101389 1096324454 /nfs/dbraw/zinc/32/44/54/1096324454.db2.gz JGJLNPYLCGFARY-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)N(CC[N@H+](C)CCC[C@H]1CCOC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001442101392 1096324656 /nfs/dbraw/zinc/32/46/56/1096324656.db2.gz JGJLNPYLCGFARY-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001442189323 1096461601 /nfs/dbraw/zinc/46/16/01/1096461601.db2.gz KFUHBDPHDDRYSY-HUUCEWRRSA-N 2 0 348.491 2.022 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1F ZINC001442255333 1096556664 /nfs/dbraw/zinc/55/66/64/1096556664.db2.gz LJSZBAKJASMWKD-PBHICJAKSA-N 2 0 333.451 2.152 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001442296440 1096611813 /nfs/dbraw/zinc/61/18/13/1096611813.db2.gz QNAMIJXOXIAXHF-QWHCGFSZSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@H](F)CN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001442587076 1096954253 /nfs/dbraw/zinc/95/42/53/1096954253.db2.gz GMBZFUPKSWIGPO-KSZLIROESA-N 2 0 335.467 2.128 10 0 EEAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001442602521 1096972953 /nfs/dbraw/zinc/97/29/53/1096972953.db2.gz UOEJUXQIUBQMHI-HZPDHXFCSA-N 2 0 330.476 2.152 10 0 EEAERP CC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC[C@@H](C)F ZINC001442721732 1097094617 /nfs/dbraw/zinc/09/46/17/1097094617.db2.gz SIGMACKJXFQXHX-PBHICJAKSA-N 2 0 333.467 2.385 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccnc1C ZINC001442725836 1097099703 /nfs/dbraw/zinc/09/97/03/1097099703.db2.gz GTIKJZSKXNSNBY-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001442905615 1097310830 /nfs/dbraw/zinc/31/08/30/1097310830.db2.gz JUOKHIJZDDPDKM-AWEZNQCLSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001442909464 1097316434 /nfs/dbraw/zinc/31/64/34/1097316434.db2.gz UYUWXRLXDSBVFD-ZWKOTPCHSA-N 2 0 347.478 2.414 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001442975323 1097399470 /nfs/dbraw/zinc/39/94/70/1097399470.db2.gz SHKHUYRUJDAIBF-PKOBYXMFSA-N 2 0 329.488 2.454 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001443185870 1097627622 /nfs/dbraw/zinc/62/76/22/1097627622.db2.gz DAGTUIKDKPBEMI-OAHLLOKOSA-N 2 0 338.521 2.216 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ocnc1C ZINC001444002919 1098517845 /nfs/dbraw/zinc/51/78/45/1098517845.db2.gz JVBWMPKDKITZKL-JKSUJKDBSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001479581464 1098618874 /nfs/dbraw/zinc/61/88/74/1098618874.db2.gz XHAPGRHOLGAVKA-IICHYACFSA-N 2 0 327.900 2.297 10 0 EEAERP CC[NH+](CC)CC[C@@H](C)NC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001479605253 1098627971 /nfs/dbraw/zinc/62/79/71/1098627971.db2.gz STSRDGLLTRTPDO-SJORKVTESA-N 2 0 326.529 2.480 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001444145949 1098685338 /nfs/dbraw/zinc/68/53/38/1098685338.db2.gz ZPKCLCVEMQAVGI-FQEVSTJZSA-N 2 0 329.488 2.465 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]Cc2ccns2)cc1 ZINC001444209259 1098770049 /nfs/dbraw/zinc/77/00/49/1098770049.db2.gz MVMJGYKZOMUXCY-UHFFFAOYSA-N 2 0 332.473 2.001 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)ccc1C ZINC001479716509 1098799637 /nfs/dbraw/zinc/79/96/37/1098799637.db2.gz HSHYVNJAPUZZNV-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001479775399 1098953978 /nfs/dbraw/zinc/95/39/78/1098953978.db2.gz UXRPNZVDYATQPL-UHFFFAOYSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc2ccccc2o1 ZINC001444394613 1098989636 /nfs/dbraw/zinc/98/96/36/1098989636.db2.gz XZQLSRXPEJLNLK-GJZGRUSLSA-N 2 0 344.459 2.012 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC001479892603 1099268829 /nfs/dbraw/zinc/26/88/29/1099268829.db2.gz YQYKVDKZJDMDLU-UHFFFAOYSA-N 2 0 347.503 2.330 10 0 EEAERP COc1ccc(CC[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001444873656 1099883012 /nfs/dbraw/zinc/88/30/12/1099883012.db2.gz ZEVMPZDSZRBWRX-MOPGFXCFSA-N 2 0 347.503 2.062 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001444887555 1099922299 /nfs/dbraw/zinc/92/22/99/1099922299.db2.gz KHINGJDFUGOTKS-JKSUJKDBSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480263619 1099948750 /nfs/dbraw/zinc/94/87/50/1099948750.db2.gz QIQUYDNXBZRCNM-WMZOPIPTSA-N 2 0 344.503 2.060 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001480295570 1100009676 /nfs/dbraw/zinc/00/96/76/1100009676.db2.gz FGGDAAPCSNNTCA-OALUTQOASA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001480384427 1100182037 /nfs/dbraw/zinc/18/20/37/1100182037.db2.gz WBFWNPKXBJKXCI-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cnc(C[NH2+]C2CCC(NC(=O)C[C@H](C)n3ccnc3)CC2)o1 ZINC001480408501 1100224290 /nfs/dbraw/zinc/22/42/90/1100224290.db2.gz PJHANVUOYMQQGA-JEYLPNPQSA-N 2 0 345.447 2.348 10 0 EEAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001445072476 1100278508 /nfs/dbraw/zinc/27/85/08/1100278508.db2.gz PVVNYYIDMJTFDI-UHFFFAOYSA-N 2 0 329.488 2.235 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480472774 1100281303 /nfs/dbraw/zinc/28/13/03/1100281303.db2.gz BJRJBFYXBCTSGW-HNAYVOBHSA-N 2 0 344.503 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1nc2ccccc2o1 ZINC001445120915 1100368168 /nfs/dbraw/zinc/36/81/68/1100368168.db2.gz SZIUJDKCGGSYCL-CABCVRRESA-N 2 0 344.459 2.154 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001446433953 1100853165 /nfs/dbraw/zinc/85/31/65/1100853165.db2.gz FGQZCANDHHZKOD-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c(C)o1 ZINC001446449017 1100868893 /nfs/dbraw/zinc/86/88/93/1100868893.db2.gz TVYAJOFMJHTAGE-XJKSGUPXSA-N 2 0 336.480 2.102 10 0 EEAERP COCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)c1 ZINC001446452888 1100874195 /nfs/dbraw/zinc/87/41/95/1100874195.db2.gz YBCIZVZPQUHWSW-VQIMIIECSA-N 2 0 347.503 2.254 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCCOC1)C1CCCC1 ZINC001446509788 1100960551 /nfs/dbraw/zinc/96/05/51/1100960551.db2.gz NQANHSVDWWKNHF-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCCO)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001495320782 1101025646 /nfs/dbraw/zinc/02/56/46/1101025646.db2.gz LKZRINMXKVDEET-VQIMIIECSA-N 2 0 341.540 2.001 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)co1 ZINC001496451742 1101043929 /nfs/dbraw/zinc/04/39/29/1101043929.db2.gz YDQJIWBYMVEGPK-ZBFHGGJFSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001446602964 1101098803 /nfs/dbraw/zinc/09/88/03/1101098803.db2.gz PQTCCJSBPUTOFB-URLQWDBASA-N 2 0 348.491 2.042 10 0 EEAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001495455377 1101168105 /nfs/dbraw/zinc/16/81/05/1101168105.db2.gz CDMJDMHTLCZNIE-SHTZXODSSA-N 2 0 339.505 2.087 10 0 EEAERP CC(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC[C@@H](C)F ZINC001496570343 1101171183 /nfs/dbraw/zinc/17/11/83/1101171183.db2.gz NBDLFBPOIWDKQZ-CVEARBPZSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)CCO1 ZINC001495495021 1101204295 /nfs/dbraw/zinc/20/42/95/1101204295.db2.gz LBSPDXRZDXPJFC-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1ncc(C[NH+]2CCC(CCNC(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC001495520673 1101233392 /nfs/dbraw/zinc/23/33/92/1101233392.db2.gz NVJGHHNACGQDMY-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001495669469 1101410713 /nfs/dbraw/zinc/41/07/13/1101410713.db2.gz QWQYMLNVGHXJSH-FHLIZLRMSA-N 2 0 335.467 2.398 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496096101 1102052040 /nfs/dbraw/zinc/05/20/40/1102052040.db2.gz RTQRNQBFPDKEJX-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496102428 1102064822 /nfs/dbraw/zinc/06/48/22/1102064822.db2.gz FCPVTYFZYFANMA-LBPRGKRZSA-N 2 0 334.291 2.370 10 0 EEAERP CN(CCC[N@H+](C)CC1CC1)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001447358215 1102522002 /nfs/dbraw/zinc/52/20/02/1102522002.db2.gz ZPGBXHUTBPYKTA-SFHVURJKSA-N 2 0 327.488 2.389 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccc(F)c1F)C(=O)CC[NH+](C)C ZINC001447359112 1102522924 /nfs/dbraw/zinc/52/29/24/1102522924.db2.gz KTSSMHZNMYFLEQ-UHFFFAOYSA-N 2 0 327.419 2.197 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001497549291 1102652545 /nfs/dbraw/zinc/65/25/45/1102652545.db2.gz OOPASBBKVOFDDW-PYTPGESOSA-N 2 0 345.487 2.038 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001497580794 1102695649 /nfs/dbraw/zinc/69/56/49/1102695649.db2.gz XVMQYJASIYSTGW-HMECNJMJSA-N 2 0 345.487 2.330 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)CC1(C)C ZINC001447592872 1102935122 /nfs/dbraw/zinc/93/51/22/1102935122.db2.gz WYCWGCVFSHLSCI-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001497825004 1103153833 /nfs/dbraw/zinc/15/38/33/1103153833.db2.gz GKERLSSQQTUDJH-QAPCUYQASA-N 2 0 332.492 2.167 10 0 EEAERP C[N@H+](CCc1cccs1)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494179941 1103655345 /nfs/dbraw/zinc/65/53/45/1103655345.db2.gz HJNUTLCHLPAGSE-HZPDHXFCSA-N 2 0 335.517 2.023 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC001447945502 1103661748 /nfs/dbraw/zinc/66/17/48/1103661748.db2.gz JDFBVWODDCOURT-KLAILNCOSA-N 2 0 347.507 2.237 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@H]2CCc3c2cccc3Cl)C1 ZINC001494626188 1104211697 /nfs/dbraw/zinc/21/16/97/1104211697.db2.gz UBRLVYYOJOSOPT-SFHVURJKSA-N 2 0 347.890 2.471 10 0 EEAERP Cc1cccc(C[NH+]2CC(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC001494633685 1104217120 /nfs/dbraw/zinc/21/71/20/1104217120.db2.gz SMFFODHSRBVUQX-IAGOWNOFSA-N 2 0 329.488 2.416 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001448337469 1104419951 /nfs/dbraw/zinc/41/99/51/1104419951.db2.gz QJQJKIPKSRSACA-GFCCVEGCSA-N 2 0 338.521 2.037 10 0 EEAERP CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1C ZINC001495088003 1104728565 /nfs/dbraw/zinc/72/85/65/1104728565.db2.gz WBUXEODADFEDKT-GOSISDBHSA-N 2 0 347.503 2.090 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001480655134 1106826904 /nfs/dbraw/zinc/82/69/04/1106826904.db2.gz YICNOIJOXYRJLZ-FWRQMEPDSA-N 2 0 334.291 2.228 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001480700691 1106911535 /nfs/dbraw/zinc/91/15/35/1106911535.db2.gz HACKDLSNZPTICO-SJORKVTESA-N 2 0 333.476 2.034 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCCCCF)C2)C1 ZINC001480735797 1107009239 /nfs/dbraw/zinc/00/92/39/1107009239.db2.gz JXBKTOPRVSFYJM-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001498197168 1107064042 /nfs/dbraw/zinc/06/40/42/1107064042.db2.gz GBWFSMTVASRZPK-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP COc1ccc(CC[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001480772990 1107086677 /nfs/dbraw/zinc/08/66/77/1107086677.db2.gz SBKGIDSRZJJDCS-VQIMIIECSA-N 2 0 347.503 2.206 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498249535 1107153217 /nfs/dbraw/zinc/15/32/17/1107153217.db2.gz ZBLWGZMCLHJMML-WBVHZDCISA-N 2 0 333.476 2.034 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001498416861 1107485464 /nfs/dbraw/zinc/48/54/64/1107485464.db2.gz BFQAJAYBFUFWTR-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1cccnc1 ZINC001493111082 1107517671 /nfs/dbraw/zinc/51/76/71/1107517671.db2.gz NTESSFRVOHSWSZ-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001498505294 1107649240 /nfs/dbraw/zinc/64/92/40/1107649240.db2.gz RHEAPWYNTKGSPN-KBPBESRZSA-N 2 0 335.414 2.299 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001498567490 1107735731 /nfs/dbraw/zinc/73/57/31/1107735731.db2.gz GAZUDCFYCBWBAI-GOSISDBHSA-N 2 0 349.523 2.195 10 0 EEAERP Cc1ncccc1C[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001493381069 1108031314 /nfs/dbraw/zinc/03/13/14/1108031314.db2.gz ZIOGGZNWDSQHMH-SFHVURJKSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)n1ccnc1 ZINC001455507833 1108644551 /nfs/dbraw/zinc/64/45/51/1108644551.db2.gz FEIVKAUHIYEEGS-POAQFYNOSA-N 2 0 338.455 2.425 10 0 EEAERP Cc1ccc2sc(C[NH2+]CCN(C)C(=O)[C@H]3CC[N@H+](C)C3)nc2c1 ZINC001493794541 1108673982 /nfs/dbraw/zinc/67/39/82/1108673982.db2.gz XGODKHGFEVMSLP-AWEZNQCLSA-N 2 0 346.500 2.104 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1F)[NH+]1CCCC1 ZINC001493807249 1108687521 /nfs/dbraw/zinc/68/75/21/1108687521.db2.gz YASLQUQNLSKNSD-SFHVURJKSA-N 2 0 335.467 2.494 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCc1ccccc1C[NH+]1CCCC1 ZINC001463813006 1110381056 /nfs/dbraw/zinc/38/10/56/1110381056.db2.gz SDGREKAMVDKSQW-SFHVURJKSA-N 2 0 333.451 2.333 10 0 EEAERP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[NH+](C)C ZINC001470193267 1110502576 /nfs/dbraw/zinc/50/25/76/1110502576.db2.gz LMYRHKPTDRUXOL-HNNXBMFYSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001472115443 1110543619 /nfs/dbraw/zinc/54/36/19/1110543619.db2.gz KDJRXLAPRNOSJX-WMZOPIPTSA-N 2 0 347.478 2.496 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001479330766 1110682249 /nfs/dbraw/zinc/68/22/49/1110682249.db2.gz WLXQBZPUIVFEJF-CALCHBBNSA-N 2 0 335.517 2.464 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001500002855 1112573327 /nfs/dbraw/zinc/57/33/27/1112573327.db2.gz MLIXCIJFEFIKLC-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001500498889 1112890417 /nfs/dbraw/zinc/89/04/17/1112890417.db2.gz POFSLVXPEONITN-FUHWJXTLSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cccs1)C2 ZINC001501011212 1113166031 /nfs/dbraw/zinc/16/60/31/1113166031.db2.gz ZLXFJZUJEWKCTQ-XHSDSOJGSA-N 2 0 335.517 2.211 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001501569425 1113386500 /nfs/dbraw/zinc/38/65/00/1113386500.db2.gz YANZJLBPJSDYQC-AEFFLSMTSA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CCC(F)(F)F)C2)CC1 ZINC001501611048 1113399235 /nfs/dbraw/zinc/39/92/35/1113399235.db2.gz HVADQDZLPWQXMD-ZDUSSCGKSA-N 2 0 335.414 2.109 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCO)cc1 ZINC001501676139 1113428628 /nfs/dbraw/zinc/42/86/28/1113428628.db2.gz GYVMWQUJRIXIJI-QFBILLFUSA-N 2 0 347.503 2.209 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC001502095349 1113585266 /nfs/dbraw/zinc/58/52/66/1113585266.db2.gz YIJLEUBGXUFSJI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H]2CCCCO2)CC1(C)C ZINC001502838311 1113830199 /nfs/dbraw/zinc/83/01/99/1113830199.db2.gz FMWFKGOSXQNSPD-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001505432822 1113966187 /nfs/dbraw/zinc/96/61/87/1113966187.db2.gz TWRXJCSYRPYYLO-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001505453113 1113986283 /nfs/dbraw/zinc/98/62/83/1113986283.db2.gz UZCHEACDUZLYBX-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)C[NH+](CCC(C)C)CCO2 ZINC001506723237 1114832969 /nfs/dbraw/zinc/83/29/69/1114832969.db2.gz IYYMWBNGODFJQC-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](C[C@H]2CCCCO2)CC1(C)C ZINC001506748932 1114862767 /nfs/dbraw/zinc/86/27/67/1114862767.db2.gz AYJFUGZLMYAFFY-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001506907414 1114964219 /nfs/dbraw/zinc/96/42/19/1114964219.db2.gz SBTOACIPDIUEJA-JCNLHEQBSA-N 2 0 348.491 2.097 10 0 EEAERP C[C@H](CCC[NH2+]CCF)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001506923687 1114977095 /nfs/dbraw/zinc/97/70/95/1114977095.db2.gz RKDXLHMBZSLJSN-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@@H](OC)C2CCC2)CC1 ZINC001506965645 1115015783 /nfs/dbraw/zinc/01/57/83/1115015783.db2.gz QQYGAJIEGQXFKG-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CCC(F)(F)F)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001506970695 1115020510 /nfs/dbraw/zinc/02/05/10/1115020510.db2.gz ORELQTOJXXEAFY-ZDUSSCGKSA-N 2 0 335.414 2.203 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cc1F ZINC001507146928 1115133325 /nfs/dbraw/zinc/13/33/25/1115133325.db2.gz FKZISBQEHMDSLG-OAHLLOKOSA-N 2 0 333.451 2.166 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001507320602 1115191077 /nfs/dbraw/zinc/19/10/77/1115191077.db2.gz NNTIKUKDQWTMAJ-NWDGAFQWSA-N 2 0 329.897 2.432 10 0 EEAERP CC(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001508086200 1115416669 /nfs/dbraw/zinc/41/66/69/1115416669.db2.gz OLLQTPQQIDGQCB-KGLIPLIRSA-N 2 0 337.430 2.353 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1F)[NH+](C)C ZINC001568298445 1124410691 /nfs/dbraw/zinc/41/06/91/1124410691.db2.gz PMPRNWXZWYOJKY-MAUKXSAKSA-N 2 0 337.483 2.391 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568335928 1124424624 /nfs/dbraw/zinc/42/46/24/1124424624.db2.gz IYQCJCKHBKOAOA-OTWHNJEPSA-N 2 0 349.494 2.422 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568397202 1124467687 /nfs/dbraw/zinc/46/76/87/1124467687.db2.gz VDZXLHNHAIBHTH-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnc(C)o1 ZINC001568397958 1124469284 /nfs/dbraw/zinc/46/92/84/1124469284.db2.gz LOVBBYKSDTVIMO-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001568535849 1124597710 /nfs/dbraw/zinc/59/77/10/1124597710.db2.gz HCZNGUUKILDELF-FUHWJXTLSA-N 2 0 335.467 2.194 10 0 EEAERP Cc1ccc(OCC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001568645551 1124657004 /nfs/dbraw/zinc/65/70/04/1124657004.db2.gz IFOMRZKFUSKBBG-IEBWSBKVSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)sc1C ZINC001568671569 1124685244 /nfs/dbraw/zinc/68/52/44/1124685244.db2.gz UNFHGTZKAUUOCL-LBPRGKRZSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001568686673 1124697794 /nfs/dbraw/zinc/69/77/94/1124697794.db2.gz BFZHITPMYJTMBY-DOTOQJQBSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001568698723 1124713301 /nfs/dbraw/zinc/71/33/01/1124713301.db2.gz HRQKIYAQGSYFGR-WBMJQRKESA-N 2 0 327.419 2.289 10 0 EEAERP CCN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568743991 1124758310 /nfs/dbraw/zinc/75/83/10/1124758310.db2.gz WXTOWPGWXKEEPY-HNNXBMFYSA-N 2 0 349.441 2.499 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001568874048 1124901055 /nfs/dbraw/zinc/90/10/55/1124901055.db2.gz YGZJTXSTAFDWFF-WUUFJKRQSA-N 2 0 341.499 2.422 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cccc(Cl)n1)C12CCC[NH+]1CCC2 ZINC001568880159 1124906260 /nfs/dbraw/zinc/90/62/60/1124906260.db2.gz VOPXIRCRPXKURZ-UPHRSURJSA-N 2 0 348.878 2.125 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)sn1 ZINC001568932115 1124963658 /nfs/dbraw/zinc/96/36/58/1124963658.db2.gz NXDKDNOVIMZQEL-YPTRFEFASA-N 2 0 348.516 2.230 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1 ZINC001568964784 1125001761 /nfs/dbraw/zinc/00/17/61/1125001761.db2.gz WMVWHPVORXLKKX-OWOJBTEDSA-N 2 0 338.455 2.093 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]Cc2cccnc2)ccc2c[nH+]cn21 ZINC001569217564 1125172406 /nfs/dbraw/zinc/17/24/06/1125172406.db2.gz QGQCUVOBIGXQID-UHFFFAOYSA-N 2 0 337.427 2.290 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)cc1F ZINC001569235637 1125185129 /nfs/dbraw/zinc/18/51/29/1125185129.db2.gz BBIAWRHZKITQTP-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1ncccn1)[NH+]1CCCCCC1 ZINC001569246769 1125192811 /nfs/dbraw/zinc/19/28/11/1125192811.db2.gz OZEDQYJEQZQDBB-DLBZAZTESA-N 2 0 347.507 2.240 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271205 282261622 /nfs/dbraw/zinc/26/16/22/282261622.db2.gz BIJGGXVLPACJTF-RBUKOAKNSA-N 2 0 344.503 2.243 10 0 EEAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416175298 529807913 /nfs/dbraw/zinc/80/79/13/529807913.db2.gz HRUGATZWFQNHRJ-PMACEKPBSA-N 2 0 341.499 2.378 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000069045781 215356157 /nfs/dbraw/zinc/35/61/57/215356157.db2.gz ZRNVPILQMQLKFT-QGZVFWFLSA-N 2 0 347.503 2.477 10 0 EEAERP CC1CC[NH+](C2CCC([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)CC1 ZINC000422971028 240310439 /nfs/dbraw/zinc/31/04/39/240310439.db2.gz XTVNYHLINOKJAL-GHBBCFCZSA-N 2 0 335.536 2.386 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422886712 240273314 /nfs/dbraw/zinc/27/33/14/240273314.db2.gz JRRNOYRSJPIACX-KVPLUYHFSA-N 3 0 333.520 2.487 10 0 EEAERP CSc1ccc([C@H](C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)N(C)C)cc1 ZINC000423144489 240382708 /nfs/dbraw/zinc/38/27/08/240382708.db2.gz HFJDTGAMFGSZBX-OTWHNJEPSA-N 2 0 349.544 2.368 10 0 EEAERP CCC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C ZINC000451414796 243105377 /nfs/dbraw/zinc/10/53/77/243105377.db2.gz DSEPIJSNTVWLHL-IRXDYDNUSA-N 2 0 341.540 2.264 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115807109 142369711 /nfs/dbraw/zinc/36/97/11/142369711.db2.gz XCHOUIPCIKYPCD-INIZCTEOSA-N 2 0 336.455 2.171 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248721194 160358385 /nfs/dbraw/zinc/35/83/85/160358385.db2.gz GQXGUDMJJYCMDD-MOPGFXCFSA-N 2 0 344.503 2.292 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000120908368 159396533 /nfs/dbraw/zinc/39/65/33/159396533.db2.gz PXZJYGWRQZHPCV-PMPSAXMXSA-N 2 0 326.529 2.381 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000245896645 160256655 /nfs/dbraw/zinc/25/66/55/160256655.db2.gz DCBOBEDIXOSQFX-OALUTQOASA-N 2 0 344.503 2.374 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)Cc1ccccc1 ZINC000246025740 160261070 /nfs/dbraw/zinc/26/10/70/160261070.db2.gz VMFFZQJWWCVLPK-OALUTQOASA-N 2 0 344.503 2.244 10 0 EEAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3cccc(Cl)c3)C2)CC1 ZINC000247521565 160327434 /nfs/dbraw/zinc/32/74/34/160327434.db2.gz NKUCHCABCHFDKE-ZWKOTPCHSA-N 2 0 337.895 2.085 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(=O)NCC[NH+](C)C ZINC000340517200 160936004 /nfs/dbraw/zinc/93/60/04/160936004.db2.gz ZNCAMIGIAWZWKG-OALUTQOASA-N 2 0 347.503 2.452 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2Cc2ccccn2)CC1 ZINC000369916324 166356512 /nfs/dbraw/zinc/35/65/12/166356512.db2.gz QPFRIPFSEUNLKE-IBGZPJMESA-N 2 0 344.503 2.284 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373932476 166988069 /nfs/dbraw/zinc/98/80/69/166988069.db2.gz IDSIEQHFPVKXQL-QZTJIDSGSA-N 2 0 334.508 2.131 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000376019708 167247002 /nfs/dbraw/zinc/24/70/02/167247002.db2.gz RHHBBINESJTZBQ-CPFNUKBASA-N 2 0 336.524 2.375 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000248124596 276306146 /nfs/dbraw/zinc/30/61/46/276306146.db2.gz VEKLMZDQEFKTKD-UHOSZYNNSA-N 2 0 344.503 2.415 10 0 EEAERP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000425345886 278147152 /nfs/dbraw/zinc/14/71/52/278147152.db2.gz KEKOWLPTUDBZPY-OKZBNKHCSA-N 2 0 347.528 2.368 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000097395090 279127221 /nfs/dbraw/zinc/12/72/21/279127221.db2.gz MSOYZYIBIJFUNJ-RTBURBONSA-N 2 0 348.535 2.435 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC(C)(F)F ZINC000458904431 279302424 /nfs/dbraw/zinc/30/24/24/279302424.db2.gz VAVHUIQGQIQNHV-OAHLLOKOSA-N 2 0 348.482 2.479 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170828792 279384408 /nfs/dbraw/zinc/38/44/08/279384408.db2.gz ZOEQSJYGIFQMHA-GOSISDBHSA-N 2 0 332.492 2.372 10 0 EEAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246988627 297096314 /nfs/dbraw/zinc/09/63/14/297096314.db2.gz MLBOGDHEDYMWBD-IYWMVGAKSA-N 2 0 334.552 2.104 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000261635565 303467156 /nfs/dbraw/zinc/46/71/56/303467156.db2.gz AHWYDURIBGVVCZ-IXKJSCDLSA-N 2 0 337.414 2.044 10 0 EEAERP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414781080 313086579 /nfs/dbraw/zinc/08/65/79/313086579.db2.gz MPBGHRDEQFEVKL-KRWDZBQOSA-N 2 0 346.519 2.412 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000416843817 313332942 /nfs/dbraw/zinc/33/29/42/313332942.db2.gz PJSSMLQMWURXBI-MOPGFXCFSA-N 2 0 340.471 2.159 10 0 EEAERP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000416882829 313347248 /nfs/dbraw/zinc/34/72/48/313347248.db2.gz BAUVZEDAQXQRPX-HOTGVXAUSA-N 2 0 330.476 2.174 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)CC(C)C ZINC000416943700 313368683 /nfs/dbraw/zinc/36/86/83/313368683.db2.gz CPHYWWKKMDSRKX-UONOGXRCSA-N 2 0 334.455 2.039 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCC1 ZINC000416965473 313373964 /nfs/dbraw/zinc/37/39/64/313373964.db2.gz XPKYOZVAPXYVHY-LSDHHAIUSA-N 2 0 346.466 2.183 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000417003969 313390656 /nfs/dbraw/zinc/39/06/56/313390656.db2.gz HNTMXBRZQWCXNC-RCCFBDPRSA-N 2 0 336.524 2.136 10 0 EEAERP Cc1ccc2[nH+]ccc(NCC(=O)NCC[NH+]3CCCCCC3)c2c1 ZINC000431511794 314638229 /nfs/dbraw/zinc/63/82/29/314638229.db2.gz MFKSMSBABUMJPV-UHFFFAOYSA-N 2 0 340.471 2.369 10 0 EEAERP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCC[NH3+] ZINC000437797970 315052900 /nfs/dbraw/zinc/05/29/00/315052900.db2.gz UMJDISNFVSUHSM-JTQLQIEISA-N 2 0 341.477 2.197 10 0 EEAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC000449230372 315436497 /nfs/dbraw/zinc/43/64/97/315436497.db2.gz KEGQTZAXCRFQSU-UHFFFAOYSA-N 2 0 349.523 2.408 10 0 EEAERP CO[C@@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000528414076 317380200 /nfs/dbraw/zinc/38/02/00/317380200.db2.gz AJOJIWFPURRGDU-MOPGFXCFSA-N 2 0 335.467 2.225 10 0 EEAERP CC[C@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000541787259 318109628 /nfs/dbraw/zinc/10/96/28/318109628.db2.gz OAMJWENYRUTLQK-LJQANCHMSA-N 2 0 346.519 2.416 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000563549028 319022679 /nfs/dbraw/zinc/02/26/79/319022679.db2.gz MQJRQTWFGYGPIF-BZUAXINKSA-N 2 0 329.423 2.259 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000565492219 319187928 /nfs/dbraw/zinc/18/79/28/319187928.db2.gz KMTOXTGPPMILHC-QGZVFWFLSA-N 2 0 344.503 2.488 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000567682483 319404452 /nfs/dbraw/zinc/40/44/52/319404452.db2.gz SZHPXUQFPXNFAR-INIZCTEOSA-N 2 0 326.506 2.337 10 0 EEAERP [NH3+]C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccc2ccccc2c1 ZINC000581874309 324333396 /nfs/dbraw/zinc/33/33/96/324333396.db2.gz FDYKZZISWVGPAE-IBGZPJMESA-N 2 0 338.455 2.329 10 0 EEAERP C[NH+](C)CCCC1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000347581246 465102787 /nfs/dbraw/zinc/10/27/87/465102787.db2.gz DZYKAGSOIVHDGL-UHFFFAOYSA-N 2 0 342.491 2.259 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000351541709 465210954 /nfs/dbraw/zinc/21/09/54/465210954.db2.gz RYZXQXUQSARZSH-AZUAARDMSA-N 2 0 345.487 2.431 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000358671829 465255119 /nfs/dbraw/zinc/25/51/19/465255119.db2.gz UNVBHCCTDCKHOG-SFHVURJKSA-N 2 0 334.508 2.298 10 0 EEAERP CC(C)C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[NH+](C)C ZINC000114378038 462641034 /nfs/dbraw/zinc/64/10/34/462641034.db2.gz ORNCCNVGZNSERJ-MRXNPFEDSA-N 2 0 335.492 2.333 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000075603080 462737738 /nfs/dbraw/zinc/73/77/38/462737738.db2.gz MLYXPVVKYUHWFN-ACJLOTCBSA-N 2 0 342.430 2.023 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC(N)=O)CC(C)C)CC1 ZINC000092011480 462919372 /nfs/dbraw/zinc/91/93/72/462919372.db2.gz GTMKEXOKKYSXEV-UHFFFAOYSA-N 2 0 346.519 2.162 10 0 EEAERP CO[C@@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000120058977 462957802 /nfs/dbraw/zinc/95/78/02/462957802.db2.gz STPNGCYVBGPSPQ-HNNXBMFYSA-N 2 0 336.480 2.351 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000123172826 463322234 /nfs/dbraw/zinc/32/22/34/463322234.db2.gz RCIRRZHYJVEISX-DLBZAZTESA-N 2 0 326.529 2.240 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105169986 463442208 /nfs/dbraw/zinc/44/22/08/463442208.db2.gz YBDOXLLCNNOEHR-RTBURBONSA-N 2 0 344.503 2.039 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)C[NH+]1CCCC1 ZINC000125777371 463577490 /nfs/dbraw/zinc/57/74/90/463577490.db2.gz DDLOOGBIVBKQIG-MRXNPFEDSA-N 2 0 333.476 2.089 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000170855477 463723675 /nfs/dbraw/zinc/72/36/75/463723675.db2.gz CTBRNDLJNRKLTH-SJLPKXTDSA-N 2 0 333.451 2.200 10 0 EEAERP COCCN1CC[C@@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000286883806 463732747 /nfs/dbraw/zinc/73/27/47/463732747.db2.gz COGFFOWAVPPCMI-UYAOXDASSA-N 2 0 349.519 2.387 10 0 EEAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)CC1 ZINC000269645202 464044706 /nfs/dbraw/zinc/04/47/06/464044706.db2.gz KUOGEMYCCGJQIJ-OAQYLSRUSA-N 2 0 345.531 2.385 10 0 EEAERP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cn3ccccc3n2)CCCN1C ZINC000284437796 464191387 /nfs/dbraw/zinc/19/13/87/464191387.db2.gz FHGRABLTZDREGS-HNAYVOBHSA-N 2 0 338.459 2.241 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247166445 464654521 /nfs/dbraw/zinc/65/45/21/464654521.db2.gz KOLQRVMRYXPXBN-ADHGMGHFSA-N 2 0 336.524 2.231 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000249942508 464922046 /nfs/dbraw/zinc/92/20/46/464922046.db2.gz WXBIBRRSFFKUMB-ZWKOTPCHSA-N 2 0 330.476 2.217 10 0 EEAERP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000348706799 465748161 /nfs/dbraw/zinc/74/81/61/465748161.db2.gz VBPZPGHTNCEHCV-FQEVSTJZSA-N 2 0 339.483 2.454 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464334 465902070 /nfs/dbraw/zinc/90/20/70/465902070.db2.gz UIJPULQTEQIMSI-OWYHZJEWSA-N 2 0 344.503 2.269 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353615530 466015363 /nfs/dbraw/zinc/01/53/63/466015363.db2.gz WIUFZDKFMXSMRI-YRPNKDGESA-N 2 0 341.499 2.498 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349669720 466184688 /nfs/dbraw/zinc/18/46/88/466184688.db2.gz QRTALVXJGWUDCR-NUJGCVRESA-N 2 0 336.524 2.233 10 0 EEAERP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349687575 466189888 /nfs/dbraw/zinc/18/98/88/466189888.db2.gz AXVKJSRQPUOLQI-ZWKOTPCHSA-N 2 0 348.466 2.307 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536603 466205180 /nfs/dbraw/zinc/20/51/80/466205180.db2.gz OOZZUNCPAKWOSC-IBGZPJMESA-N 2 0 345.487 2.123 10 0 EEAERP C[C@@H]1CN(CCN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250114 466215061 /nfs/dbraw/zinc/21/50/61/466215061.db2.gz FJSSVFANSZVSGS-RTBURBONSA-N 2 0 331.504 2.304 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000354360245 466503564 /nfs/dbraw/zinc/50/35/64/466503564.db2.gz BJRSKXJRQXWXAP-UXHICEINSA-N 2 0 341.499 2.378 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488008 466757084 /nfs/dbraw/zinc/75/70/84/466757084.db2.gz DBJUHJQSJGJUAE-IYWMVGAKSA-N 2 0 329.488 2.150 10 0 EEAERP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423508335 466761329 /nfs/dbraw/zinc/76/13/29/466761329.db2.gz QOOVSPWUIXFZHX-KBXCAEBGSA-N 2 0 347.484 2.465 10 0 EEAERP C1C[C@H]([C@H]2CCCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)CO1 ZINC000423522244 466765523 /nfs/dbraw/zinc/76/55/23/466765523.db2.gz UHPBNKKTTIOOLU-KUZRIEKOSA-N 2 0 335.536 2.388 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417587401 466888002 /nfs/dbraw/zinc/88/80/02/466888002.db2.gz SAHVBHSUNKIZFZ-OOKSDGMUSA-N 2 0 330.476 2.219 10 0 EEAERP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417692371 466910132 /nfs/dbraw/zinc/91/01/32/466910132.db2.gz YEIPNICVDBWTGJ-QAPCUYQASA-N 2 0 346.519 2.448 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417916425 466984455 /nfs/dbraw/zinc/98/44/55/466984455.db2.gz VZKPHXZJMQNGGW-SJLPKXTDSA-N 2 0 332.492 2.354 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424292057 467022986 /nfs/dbraw/zinc/02/29/86/467022986.db2.gz NYQRLQWTVHMPKB-HUUCEWRRSA-N 2 0 333.451 2.467 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424337279 467031942 /nfs/dbraw/zinc/03/19/42/467031942.db2.gz ZZQDGKMEQSFCNO-YTQUADARSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048851 467034028 /nfs/dbraw/zinc/03/40/28/467034028.db2.gz WUVSZUXTZOXDKL-MJGOQNOKSA-N 2 0 330.476 2.078 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418102112 467045040 /nfs/dbraw/zinc/04/50/40/467045040.db2.gz GYRYWXZVNCZVDX-PKOBYXMFSA-N 2 0 342.487 2.044 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418192120 467070873 /nfs/dbraw/zinc/07/08/73/467070873.db2.gz ZFYRQKKXPAFCNF-SFHVURJKSA-N 2 0 332.492 2.074 10 0 EEAERP C[N@H+](CCCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000418275332 467087284 /nfs/dbraw/zinc/08/72/84/467087284.db2.gz YZPALLLOQSWLDO-UHFFFAOYSA-N 2 0 348.535 2.314 10 0 EEAERP C[C@@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418697665 467146845 /nfs/dbraw/zinc/14/68/45/467146845.db2.gz MEBCAYRQXDYKSR-DLBZAZTESA-N 2 0 332.492 2.072 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418700229 467147782 /nfs/dbraw/zinc/14/77/82/467147782.db2.gz FJXVSYLAYKPJFJ-IAGOWNOFSA-N 2 0 344.503 2.420 10 0 EEAERP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386716392 467390782 /nfs/dbraw/zinc/39/07/82/467390782.db2.gz WTIGFWBUFDPJGN-WOJBJXKFSA-N 2 0 337.467 2.462 10 0 EEAERP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397600965 467443623 /nfs/dbraw/zinc/44/36/23/467443623.db2.gz UGRIEBSCYKPOEQ-WOJBJXKFSA-N 3 0 343.515 2.230 10 0 EEAERP CN(CC(C)(C)CN1CCOCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431830015 467540896 /nfs/dbraw/zinc/54/08/96/467540896.db2.gz HCFSBGQDUFEMIS-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000449092379 467617467 /nfs/dbraw/zinc/61/74/67/467617467.db2.gz LRJHNQZUCQGDJC-RXVVDRJESA-N 2 0 345.531 2.128 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCC2CC2)CC1 ZINC000449114480 467618987 /nfs/dbraw/zinc/61/89/87/467618987.db2.gz CWGUQGPTEJTQLY-LAUBAEHRSA-N 2 0 346.515 2.459 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458562940 467857878 /nfs/dbraw/zinc/85/78/78/467857878.db2.gz FDEHJNLPRMPTJG-TVPLGVNVSA-N 2 0 336.524 2.234 10 0 EEAERP O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242412 467966743 /nfs/dbraw/zinc/96/67/43/467966743.db2.gz UPKYSDPQKMWEOV-IEBWSBKVSA-N 2 0 343.471 2.030 10 0 EEAERP c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC000530248833 467968484 /nfs/dbraw/zinc/96/84/84/467968484.db2.gz QBAOXKKBTBSNCX-HXUWFJFHSA-N 2 0 340.471 2.463 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000494422148 468055073 /nfs/dbraw/zinc/05/50/73/468055073.db2.gz BEBKDECLNKUANP-OALUTQOASA-N 2 0 331.504 2.468 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000488906866 468110928 /nfs/dbraw/zinc/11/09/28/468110928.db2.gz GMYHZCOVCVPUHQ-SFHVURJKSA-N 2 0 344.434 2.315 10 0 EEAERP O[C@H](C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000520569085 468258850 /nfs/dbraw/zinc/25/88/50/468258850.db2.gz STLRKPPBOIOFLF-MRXNPFEDSA-N 2 0 346.393 2.217 10 0 EEAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000594968724 468733432 /nfs/dbraw/zinc/73/34/32/468733432.db2.gz IYBHAGXMWOJDIZ-JCGIZDLHSA-N 2 0 331.460 2.081 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000571515953 468798565 /nfs/dbraw/zinc/79/85/65/468798565.db2.gz DWWIRGAXNJCHRH-DQVLVPHSSA-N 2 0 345.531 2.158 10 0 EEAERP C[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000584721023 468921680 /nfs/dbraw/zinc/92/16/80/468921680.db2.gz HWFCUZANKXXCBJ-HYEGPXJVSA-N 2 0 347.478 2.495 10 0 EEAERP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322569 468938548 /nfs/dbraw/zinc/93/85/48/468938548.db2.gz MLRFCUNUYAPWCH-KSZLIROESA-N 2 0 332.444 2.334 10 0 EEAERP c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnc4n3CCC4)C1)C[NH2+]CC2 ZINC000572728165 468982365 /nfs/dbraw/zinc/98/23/65/468982365.db2.gz BYACXCLUMTXWJT-KRWDZBQOSA-N 2 0 337.471 2.250 10 0 EEAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)Cn1cnc2c1CCCC2 ZINC000562662151 469024196 /nfs/dbraw/zinc/02/41/96/469024196.db2.gz LMYUFGIOTJANNE-UHFFFAOYSA-N 2 0 346.500 2.414 10 0 EEAERP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115141 469174626 /nfs/dbraw/zinc/17/46/26/469174626.db2.gz MJMHQUOQOKNTAA-HZPDHXFCSA-N 2 0 337.414 2.012 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000625862924 469415457 /nfs/dbraw/zinc/41/54/57/469415457.db2.gz WPZFFKOEWLKFDD-LSDHHAIUSA-N 2 0 334.464 2.197 10 0 EEAERP CN(C(=O)N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612977859 469597475 /nfs/dbraw/zinc/59/74/75/469597475.db2.gz RCHWUJQEVMYBJY-MSOLQXFVSA-N 2 0 342.487 2.044 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721011 469744868 /nfs/dbraw/zinc/74/48/68/469744868.db2.gz FCBBCLKLLJDRNF-FUHWJXTLSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627008872 469788290 /nfs/dbraw/zinc/78/82/90/469788290.db2.gz GJBFHGPCAPHGFG-WBVHZDCISA-N 2 0 330.476 2.091 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000627015904 469790477 /nfs/dbraw/zinc/79/04/77/469790477.db2.gz DOAZRSOURDWXHO-NLWGTHIKSA-N 2 0 344.503 2.481 10 0 EEAERP O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000613862413 469807261 /nfs/dbraw/zinc/80/72/61/469807261.db2.gz XTRHGUJCJYZPRM-LJQANCHMSA-N 2 0 327.472 2.173 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634649185 470274591 /nfs/dbraw/zinc/27/45/91/470274591.db2.gz ILAOJWSLVKGVGL-UYAOXDASSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634706804 470282826 /nfs/dbraw/zinc/28/28/26/470282826.db2.gz VHVFONNGLXOCCH-MBPVOVBZSA-N 2 0 346.515 2.399 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712308 470284548 /nfs/dbraw/zinc/28/45/48/470284548.db2.gz CIBUBEWLCCREFX-HOJAQTOUSA-N 2 0 332.488 2.010 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770651 470304256 /nfs/dbraw/zinc/30/42/56/470304256.db2.gz SQSHAERMAUUQAG-HYJFEMIMSA-N 2 0 327.472 2.013 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000648808513 470355980 /nfs/dbraw/zinc/35/59/80/470355980.db2.gz CZUBZQSINDQZAN-ZBFHGGJFSA-N 2 0 346.393 2.372 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CCC(F)CC1 ZINC000645875937 470446296 /nfs/dbraw/zinc/44/62/96/470446296.db2.gz AIJFJVKNOYRLGX-UHFFFAOYSA-N 2 0 344.519 2.430 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649103524 470464705 /nfs/dbraw/zinc/46/47/05/470464705.db2.gz GPFVECNQFJOOSB-AEFFLSMTSA-N 2 0 338.455 2.223 10 0 EEAERP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2c(c1)COCC2 ZINC000639453461 470506281 /nfs/dbraw/zinc/50/62/81/470506281.db2.gz LHXFEAXUQJWTFT-UHFFFAOYSA-N 2 0 330.472 2.304 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000633803774 470597206 /nfs/dbraw/zinc/59/72/06/470597206.db2.gz PIGRUKOFAKGIMH-AOIWGVFYSA-N 2 0 329.488 2.213 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1)c1ccccc1 ZINC000649907607 470739892 /nfs/dbraw/zinc/73/98/92/470739892.db2.gz WCGVBZLBOICNQI-DOTOQJQBSA-N 2 0 337.414 2.137 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647171401 470847693 /nfs/dbraw/zinc/84/76/93/470847693.db2.gz IWAWBWPTRYJLEX-GOSISDBHSA-N 2 0 341.503 2.296 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650713643 470948950 /nfs/dbraw/zinc/94/89/50/470948950.db2.gz YNLXJAWRCDEEQU-ZDUSSCGKSA-N 2 0 335.448 2.140 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1C ZINC000647799424 470987139 /nfs/dbraw/zinc/98/71/39/470987139.db2.gz GHYICINNALLYIK-LSTDLKDCSA-N 2 0 347.478 2.017 10 0 EEAERP O=C1CCCCCN1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657289835 471084877 /nfs/dbraw/zinc/08/48/77/471084877.db2.gz TZGXSGXAQACGKI-UHFFFAOYSA-N 2 0 327.432 2.150 10 0 EEAERP O=C(CC1CCCCC1)NCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657360421 471112512 /nfs/dbraw/zinc/11/25/12/471112512.db2.gz HAFMXOLIJWNPNA-UHFFFAOYSA-N 2 0 341.459 2.444 10 0 EEAERP CCc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c2ccccc2[nH+]1 ZINC000651383436 471153691 /nfs/dbraw/zinc/15/36/91/471153691.db2.gz ZJKJOEBTFFBLDN-UHFFFAOYSA-N 2 0 326.444 2.007 10 0 EEAERP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000657543665 471166359 /nfs/dbraw/zinc/16/63/59/471166359.db2.gz MXVFPFVIYNEFOQ-UYAOXDASSA-N 2 0 348.487 2.302 10 0 EEAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000657576353 471173551 /nfs/dbraw/zinc/17/35/51/471173551.db2.gz JREGRKPEPYEVFW-PWIZWCRZSA-N 2 0 347.503 2.202 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000654858148 471204864 /nfs/dbraw/zinc/20/48/64/471204864.db2.gz CVPFDQJCNQBRNU-ZHALLVOQSA-N 2 0 329.488 2.355 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000652119757 471238671 /nfs/dbraw/zinc/23/86/71/471238671.db2.gz YJJGFKHUPZSFPU-CQSZACIVSA-N 2 0 336.505 2.313 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000652119756 471239036 /nfs/dbraw/zinc/23/90/36/471239036.db2.gz YJJGFKHUPZSFPU-AWEZNQCLSA-N 2 0 336.505 2.313 10 0 EEAERP CC[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000652127398 471240307 /nfs/dbraw/zinc/24/03/07/471240307.db2.gz QKCYAPGFHHAHEA-SFHVURJKSA-N 2 0 344.503 2.252 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652238924 471260940 /nfs/dbraw/zinc/26/09/40/471260940.db2.gz UXUHEWIEVZRLCN-IRXDYDNUSA-N 2 0 344.503 2.420 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240457 471260996 /nfs/dbraw/zinc/26/09/96/471260996.db2.gz BZVBVMPPQDJBRV-KRWDZBQOSA-N 2 0 330.476 2.031 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC000658054629 471263255 /nfs/dbraw/zinc/26/32/55/471263255.db2.gz FOIMOVALZQWWTE-ZFWWWQNUSA-N 2 0 339.505 2.118 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000652288495 471267486 /nfs/dbraw/zinc/26/74/86/471267486.db2.gz LRLBDAZIODJYRE-ROUUACIJSA-N 2 0 330.476 2.032 10 0 EEAERP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361674 471280172 /nfs/dbraw/zinc/28/01/72/471280172.db2.gz MCYWHUBXYURTIX-YCEFEEMOSA-N 2 0 349.519 2.137 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652616968 471314672 /nfs/dbraw/zinc/31/46/72/471314672.db2.gz JYWKKHSUVGYUBS-HNNXBMFYSA-N 2 0 328.420 2.215 10 0 EEAERP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515321 471360794 /nfs/dbraw/zinc/36/07/94/471360794.db2.gz XWLJIPVLZASVMD-TZMCWYRMSA-N 2 0 347.356 2.044 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CCCC2)CC1 ZINC000653118276 471497463 /nfs/dbraw/zinc/49/74/63/471497463.db2.gz HMMVHHAJQWNIFQ-QZTJIDSGSA-N 2 0 349.519 2.057 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655915657 471537421 /nfs/dbraw/zinc/53/74/21/471537421.db2.gz PFMUYGHTFJQREM-DGCLKSJQSA-N 2 0 346.397 2.305 10 0 EEAERP CC(C)(CC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000655939689 471550362 /nfs/dbraw/zinc/55/03/62/471550362.db2.gz JJKXNSKFPUYMFM-IRXDYDNUSA-N 2 0 334.508 2.033 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000659318834 471579786 /nfs/dbraw/zinc/57/97/86/471579786.db2.gz DTDBIHIHNAPGKH-NEWSRXKRSA-N 2 0 347.503 2.156 10 0 EEAERP C[NH2+]C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000659454160 471635717 /nfs/dbraw/zinc/63/57/17/471635717.db2.gz XWTXACCLGDSKCS-CCNLRDMRSA-N 2 0 330.476 2.089 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000659472904 471645675 /nfs/dbraw/zinc/64/56/75/471645675.db2.gz QZIDVWSBZKBFCP-MAUKXSAKSA-N 2 0 347.507 2.280 10 0 EEAERP C[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000667117638 471660344 /nfs/dbraw/zinc/66/03/44/471660344.db2.gz ZOGNCCVUEWKWCY-SFHVURJKSA-N 2 0 344.503 2.150 10 0 EEAERP CN(CCC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659611065 471698705 /nfs/dbraw/zinc/69/87/05/471698705.db2.gz IWBFZJIOHLJAKE-GOSISDBHSA-N 2 0 344.503 2.279 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000659620143 471700614 /nfs/dbraw/zinc/70/06/14/471700614.db2.gz BJGXIEGPWVWCMR-WMHRWZGDSA-N 2 0 344.503 2.400 10 0 EEAERP CCN(C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664498794 471770430 /nfs/dbraw/zinc/77/04/30/471770430.db2.gz OHUKFDKDCGCEBB-MSOLQXFVSA-N 2 0 338.540 2.480 10 0 EEAERP CCC[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1CCOC ZINC000667693342 471869053 /nfs/dbraw/zinc/86/90/53/471869053.db2.gz IPIOYAQQORKAPN-SFHVURJKSA-N 2 0 343.475 2.200 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000660127851 471874085 /nfs/dbraw/zinc/87/40/85/471874085.db2.gz QGLQJWJBTSKXHV-APISQKPESA-N 2 0 348.579 2.207 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)c2ccccc2)CC1 ZINC000667755708 471893989 /nfs/dbraw/zinc/89/39/89/471893989.db2.gz AZSDBANFICGEGW-HSALFYBXSA-N 2 0 329.488 2.132 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000665285829 471990200 /nfs/dbraw/zinc/99/02/00/471990200.db2.gz YBDJRCZYZKHIDH-GOSISDBHSA-N 2 0 333.451 2.393 10 0 EEAERP Fc1cccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]2CCCO2)c1 ZINC000662254284 472043850 /nfs/dbraw/zinc/04/38/50/472043850.db2.gz OXIPUJUMYIHWQD-ZWKOTPCHSA-N 2 0 334.435 2.328 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629546364 485732065 /nfs/dbraw/zinc/73/20/65/485732065.db2.gz PGMOTXLBUKETSI-KGLIPLIRSA-N 2 0 329.847 2.401 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000678023366 486553236 /nfs/dbraw/zinc/55/32/36/486553236.db2.gz YCZJWWIDXZXXGJ-ZHALLVOQSA-N 2 0 344.503 2.385 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000415954682 528355569 /nfs/dbraw/zinc/35/55/69/528355569.db2.gz MJTRSHIVYWEDNH-KRWDZBQOSA-N 2 0 336.505 2.355 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416249010 529351647 /nfs/dbraw/zinc/35/16/47/529351647.db2.gz VOLXALHMMUNVJJ-QGZVFWFLSA-N 2 0 329.488 2.378 10 0 EEAERP Cn1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1-c1ccccc1 ZINC000742068481 578126989 /nfs/dbraw/zinc/12/69/89/578126989.db2.gz SLTMDNFZBSKJIJ-UHFFFAOYSA-N 2 0 342.487 2.258 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCN1c1cc[nH+]cc1 ZINC000895556268 684641221 /nfs/dbraw/zinc/64/12/21/684641221.db2.gz GPTZQSDBQQGMOG-INIZCTEOSA-N 2 0 334.427 2.373 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001485627443 1191867787 /nfs/dbraw/zinc/86/77/87/1191867787.db2.gz NPCMAIQXJASTNP-YSTOQKLRSA-N 2 0 339.483 2.064 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001485695941 1191903044 /nfs/dbraw/zinc/90/30/44/1191903044.db2.gz PQXZNFKDFFUCOC-SAABIXHNSA-N 2 0 340.471 2.171 10 0 EEAERP Cc1ncsc1C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739734 1191916611 /nfs/dbraw/zinc/91/66/11/1191916611.db2.gz ZDZZNZPQSXRAOJ-UONOGXRCSA-N 2 0 338.521 2.168 10 0 EEAERP O=C(N[C@H]1CC[N@H+](CCOCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266322945 1176278788 /nfs/dbraw/zinc/27/87/88/1176278788.db2.gz QMRJTXGJPRPOML-PKOBYXMFSA-N 2 0 349.519 2.011 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)[C@@H](c2ccccc2)C1 ZINC001266430955 1176526322 /nfs/dbraw/zinc/52/63/22/1176526322.db2.gz GWUXGTNJJABMHM-CEXWTWQISA-N 2 0 347.478 2.176 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCc2ccccc2)C2CC2)C1 ZINC001670557709 1176904806 /nfs/dbraw/zinc/90/48/06/1176904806.db2.gz WRCGXIQEVHIHGY-OALUTQOASA-N 2 0 329.488 2.055 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001266641386 1177041920 /nfs/dbraw/zinc/04/19/20/1177041920.db2.gz BEEYSLCRJNTIDV-QAQDUYKDSA-N 2 0 348.491 2.294 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001266790689 1177433116 /nfs/dbraw/zinc/43/31/16/1177433116.db2.gz MACFUXIDSVZPFN-ZDUSSCGKSA-N 2 0 327.469 2.221 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001266883150 1177699186 /nfs/dbraw/zinc/69/91/86/1177699186.db2.gz VOIKWEVLQFXSQK-HOTGVXAUSA-N 2 0 348.491 2.110 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1F ZINC001691317493 1177899155 /nfs/dbraw/zinc/89/91/55/1177899155.db2.gz XATANSWOHBTHFQ-KRWDZBQOSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001691396293 1178001770 /nfs/dbraw/zinc/00/17/70/1178001770.db2.gz XTUSFSNAINKKTO-OKZBNKHCSA-N 2 0 339.524 2.065 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001671308959 1178053315 /nfs/dbraw/zinc/05/33/15/1178053315.db2.gz UQYJBILOYGPRPE-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001267117407 1178281176 /nfs/dbraw/zinc/28/11/76/1178281176.db2.gz RZJIASAZNASCBJ-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001267123684 1178291565 /nfs/dbraw/zinc/29/15/65/1178291565.db2.gz WLCNWUFDRCOVAW-CRAIPNDOSA-N 2 0 335.467 2.337 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@@H]1CCCCO1 ZINC001267393489 1178964219 /nfs/dbraw/zinc/96/42/19/1178964219.db2.gz IPARCHWRGPMARS-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267505940 1179209047 /nfs/dbraw/zinc/20/90/47/1179209047.db2.gz QMIQZDHFJODJTH-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001481057546 1179647557 /nfs/dbraw/zinc/64/75/57/1179647557.db2.gz HYGYXGAATYDNMF-MAUKXSAKSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC001481109910 1179759400 /nfs/dbraw/zinc/75/94/00/1179759400.db2.gz WBCZYOHRDZWCME-MRXNPFEDSA-N 2 0 340.471 2.125 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001481118505 1179787271 /nfs/dbraw/zinc/78/72/71/1179787271.db2.gz JLYXPVHRASBDDZ-IRXDYDNUSA-N 2 0 347.507 2.016 10 0 EEAERP C[N@H+](CC(=O)NCC1C[NH+](CCCCC(F)(F)F)C1)C1CCC1 ZINC001267681790 1180152577 /nfs/dbraw/zinc/15/25/77/1180152577.db2.gz GLDOKCPFHHAPKK-UHFFFAOYSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267724204 1180287222 /nfs/dbraw/zinc/28/72/22/1180287222.db2.gz RIOFUHXKHLKBQE-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CC[NH2+]Cc1ccns1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001481261201 1180504280 /nfs/dbraw/zinc/50/42/80/1180504280.db2.gz ADZKGDLTSCLMGU-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267819291 1180578420 /nfs/dbraw/zinc/57/84/20/1180578420.db2.gz CHRYSOYCCASYMT-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP CO[C@H](C)C[NH2+]CCC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001267914803 1180755087 /nfs/dbraw/zinc/75/50/87/1180755087.db2.gz NPMWGMIXRHASFP-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP CCCCC[N@H+](C)CC1CCN(C(=O)CCN2CCOCC2)CC1 ZINC001481519637 1181632536 /nfs/dbraw/zinc/63/25/36/1181632536.db2.gz MPWFGKLSOLVCFZ-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1ncccc1C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001481521719 1181634951 /nfs/dbraw/zinc/63/49/51/1181634951.db2.gz OQUOKGOFDBVWJC-UHFFFAOYSA-N 2 0 346.519 2.401 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268062955 1181648963 /nfs/dbraw/zinc/64/89/63/1181648963.db2.gz GARWOXXVCIGZRU-ROWOATAPSA-N 2 0 329.488 2.477 10 0 EEAERP C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268069714 1181664401 /nfs/dbraw/zinc/66/44/01/1181664401.db2.gz ZYFGDSSQAVFYLU-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268083086 1181696860 /nfs/dbraw/zinc/69/68/60/1181696860.db2.gz ARTCJHZFGCAFJM-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001268084563 1181702011 /nfs/dbraw/zinc/70/20/11/1181702011.db2.gz GQABCCSPFTXHRC-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001268161076 1181873171 /nfs/dbraw/zinc/87/31/71/1181873171.db2.gz AFAVLMOGECNOKL-CVEARBPZSA-N 2 0 338.521 2.344 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001481728193 1182389305 /nfs/dbraw/zinc/38/93/05/1182389305.db2.gz VJWHBENANANUKX-JKSUJKDBSA-N 2 0 343.462 2.439 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ncccc2C)C1 ZINC001268394424 1182459993 /nfs/dbraw/zinc/45/99/93/1182459993.db2.gz VTFJDOMHAHUNTM-QZTJIDSGSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268403969 1182515703 /nfs/dbraw/zinc/51/57/03/1182515703.db2.gz OOYSIORXYPJFKV-SJORKVTESA-N 2 0 332.492 2.331 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481777765 1182678591 /nfs/dbraw/zinc/67/85/91/1182678591.db2.gz PXGHCUKRCQZSRT-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nc2ccccc2o1 ZINC001481823310 1182742727 /nfs/dbraw/zinc/74/27/27/1182742727.db2.gz CXOMTANKPQBIRT-GDBMZVCRSA-N 2 0 344.459 2.297 10 0 EEAERP CC(C)OCCC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001481904351 1182917871 /nfs/dbraw/zinc/91/78/71/1182917871.db2.gz DLRHTVDPCUVXDE-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482110064 1183339527 /nfs/dbraw/zinc/33/95/27/1183339527.db2.gz MNHCIMUHPMDPDD-CRAIPNDOSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cncs1)[NH+]1CCCCCC1 ZINC001482149288 1183466848 /nfs/dbraw/zinc/46/68/48/1183466848.db2.gz QDLLAHABWHEGNR-HUUCEWRRSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268604240 1183506350 /nfs/dbraw/zinc/50/63/50/1183506350.db2.gz YBISIONNRYSPJF-PLNGDYQASA-N 2 0 342.443 2.120 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268648628 1183580061 /nfs/dbraw/zinc/58/00/61/1183580061.db2.gz PRXPPWGBYFUHDO-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)o1 ZINC001268957650 1183850613 /nfs/dbraw/zinc/85/06/13/1183850613.db2.gz GQJDTFPWLPHLLA-INIZCTEOSA-N 2 0 336.480 2.358 10 0 EEAERP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001269291561 1184145573 /nfs/dbraw/zinc/14/55/73/1184145573.db2.gz GXBYLNUCLJZMKD-SFHVURJKSA-N 2 0 332.492 2.155 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CC[N@@H+]1C ZINC001270050338 1184811660 /nfs/dbraw/zinc/81/16/60/1184811660.db2.gz LBQBQNCXYXDLQA-HZSPNIEDSA-N 2 0 335.414 2.250 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCc1ccccc1 ZINC001270552048 1185166305 /nfs/dbraw/zinc/16/63/05/1185166305.db2.gz ZOEYITMZGYCDPV-SFHVURJKSA-N 2 0 331.504 2.303 10 0 EEAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001270743579 1185358671 /nfs/dbraw/zinc/35/86/71/1185358671.db2.gz AKNXFKNVLAHDNR-UYAOXDASSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353411 1185487435 /nfs/dbraw/zinc/48/74/35/1185487435.db2.gz IEWQHZHDZRZJRD-LBPRGKRZSA-N 2 0 341.908 2.434 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001482368642 1185530484 /nfs/dbraw/zinc/53/04/84/1185530484.db2.gz IALAVZWIGAQYQR-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCCCCF ZINC001482422686 1185667330 /nfs/dbraw/zinc/66/73/30/1185667330.db2.gz KYITXQOOKNZURI-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550139 1186310870 /nfs/dbraw/zinc/31/08/70/1186310870.db2.gz MXJOQRNCGZPMNO-ROUUACIJSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)no1 ZINC001271599712 1186331509 /nfs/dbraw/zinc/33/15/09/1186331509.db2.gz LVDSEFFJBPIYME-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001272045690 1187255574 /nfs/dbraw/zinc/25/55/74/1187255574.db2.gz WNBWCHYLQMPZLO-IAGOWNOFSA-N 2 0 325.472 2.287 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001482628194 1187453165 /nfs/dbraw/zinc/45/31/65/1187453165.db2.gz HZGGWBGGPQRYKM-DLBZAZTESA-N 2 0 347.503 2.488 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001272772253 1193490725 /nfs/dbraw/zinc/49/07/25/1193490725.db2.gz DLHWUYKIQYTAPV-XJKSGUPXSA-N 2 0 338.521 2.309 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001272772227 1193490730 /nfs/dbraw/zinc/49/07/30/1193490730.db2.gz DJIDBSHMEGUBIT-PBHICJAKSA-N 2 0 336.480 2.094 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482662149 1187506226 /nfs/dbraw/zinc/50/62/26/1187506226.db2.gz IYIQSTJIAQJSLZ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CC[NH2+]CCC[C@H]1CCOC1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001482848022 1187766538 /nfs/dbraw/zinc/76/65/38/1187766538.db2.gz WEGCRZQCBUEMFZ-GJZGRUSLSA-N 2 0 344.459 2.478 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001482864519 1187783859 /nfs/dbraw/zinc/78/38/59/1187783859.db2.gz KHUBQBLDMQNISD-BQFCYCMXSA-N 2 0 347.503 2.410 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929804 1187851197 /nfs/dbraw/zinc/85/11/97/1187851197.db2.gz KRWOVXARJFOKNJ-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C[N@H+](C)C1CCC1 ZINC001482931389 1187853342 /nfs/dbraw/zinc/85/33/42/1187853342.db2.gz OCEAGXPQDORMOB-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482992707 1187970811 /nfs/dbraw/zinc/97/08/11/1187970811.db2.gz YIEQNTOTBWAFJY-NYQZOWANSA-N 2 0 327.472 2.420 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001691555613 1188258249 /nfs/dbraw/zinc/25/82/49/1188258249.db2.gz HRWWOMVCMLVBBD-ROUUACIJSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cc1C ZINC001691577864 1188275435 /nfs/dbraw/zinc/27/54/35/1188275435.db2.gz CAVBSQHENNUKEN-FQEVSTJZSA-N 2 0 329.488 2.337 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483128289 1188604503 /nfs/dbraw/zinc/60/45/03/1188604503.db2.gz ALDSJTYDMIZILG-IAGOWNOFSA-N 2 0 344.503 2.331 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001483184937 1189051337 /nfs/dbraw/zinc/05/13/37/1189051337.db2.gz XMSKWZCUODGMHF-CVEARBPZSA-N 2 0 332.492 2.141 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483193061 1189079034 /nfs/dbraw/zinc/07/90/34/1189079034.db2.gz PWAJDENGKVDJND-OCCSQVGLSA-N 2 0 343.393 2.251 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1sccc1Cl ZINC001485855290 1193617174 /nfs/dbraw/zinc/61/71/74/1193617174.db2.gz KRTHRWSGKVTWBU-AAEUAGOBSA-N 2 0 329.897 2.432 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC001483232592 1189612559 /nfs/dbraw/zinc/61/25/59/1189612559.db2.gz DWVRXVUAYLCJPE-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1conc1CC ZINC001485881888 1193628200 /nfs/dbraw/zinc/62/82/00/1193628200.db2.gz DPIXDQJBSYOTQS-YOEHRIQHSA-N 2 0 336.480 2.048 10 0 EEAERP Cc1c(C(=O)N(C)C[C@@H](C)[NH2+]CCOCC2CC2)ccc2c[nH+]cn21 ZINC001485892250 1193631610 /nfs/dbraw/zinc/63/16/10/1193631610.db2.gz DWHVBIZLXSHWKH-CQSZACIVSA-N 2 0 344.459 2.119 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001485892622 1193632121 /nfs/dbraw/zinc/63/21/21/1193632121.db2.gz PUHJRCKHESNZDW-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP COC[C@@H](C)[NH2+]CC1(NC(=O)C[C@@H](C)n2ccnc2)CCCCC1 ZINC001409772132 1190267085 /nfs/dbraw/zinc/26/70/85/1190267085.db2.gz CKEYWOBYMJTSKA-HZPDHXFCSA-N 2 0 336.480 2.278 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001483419838 1190466283 /nfs/dbraw/zinc/46/62/83/1190466283.db2.gz DAZQWSOJGPCUOW-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cncs1 ZINC001483442647 1190482052 /nfs/dbraw/zinc/48/20/52/1190482052.db2.gz GUGYHEYTNGFRPE-HOCLYGCPSA-N 2 0 338.521 2.250 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@H](C)c2ncccn2)CC1 ZINC001483501085 1190515315 /nfs/dbraw/zinc/51/53/15/1190515315.db2.gz JLILLMPTTWNMIH-MRXNPFEDSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001483504260 1190518490 /nfs/dbraw/zinc/51/84/90/1190518490.db2.gz LGEPDQMCXHBPIL-OAHLLOKOSA-N 2 0 333.451 2.421 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565309 1190554693 /nfs/dbraw/zinc/55/46/93/1190554693.db2.gz SWOUVUAZIHQACI-ZIAGYGMSSA-N 2 0 335.414 2.298 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C2CC2)o1 ZINC001483566649 1190556175 /nfs/dbraw/zinc/55/61/75/1190556175.db2.gz SDAPQQIIHTYMGO-OAHLLOKOSA-N 2 0 348.491 2.014 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCc2ccccc2F)C2CC2)CC1 ZINC001483586767 1190572905 /nfs/dbraw/zinc/57/29/05/1190572905.db2.gz VCWICARPBQMEEJ-LJQANCHMSA-N 2 0 347.478 2.194 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001483615613 1190591406 /nfs/dbraw/zinc/59/14/06/1190591406.db2.gz OFURQQTUPJBLHO-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccccn2)CCCCC1)[NH+](C)C ZINC001409791629 1190623303 /nfs/dbraw/zinc/62/33/03/1190623303.db2.gz XAPBHYWGPVEZQB-KRWDZBQOSA-N 2 0 332.492 2.331 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2cc(C)no2)CCCCC1 ZINC001409809216 1190637836 /nfs/dbraw/zinc/63/78/36/1190637836.db2.gz TVSNXWCRGVGMMD-UHFFFAOYSA-N 2 0 336.480 2.234 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cc(C)no1)[NH+](C)C ZINC001409854232 1190687733 /nfs/dbraw/zinc/68/77/33/1190687733.db2.gz WNQZVMIEIRMCPW-DOTOQJQBSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001272458092 1190830990 /nfs/dbraw/zinc/83/09/90/1190830990.db2.gz UXHABPAPKYIMFS-COXDATCZSA-N 2 0 327.900 2.442 10 0 EEAERP O=C(c1cc2c[nH]ccc-2n1)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001272475288 1190840743 /nfs/dbraw/zinc/84/07/43/1190840743.db2.gz OBWIHIQKGDOHJH-CYBMUJFWSA-N 2 0 339.399 2.193 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272547135 1190875093 /nfs/dbraw/zinc/87/50/93/1190875093.db2.gz VKRBEINKZOADDX-QGZVFWFLSA-N 2 0 335.467 2.496 10 0 EEAERP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CC1)[NH+](C)C ZINC001483765894 1190999398 /nfs/dbraw/zinc/99/93/98/1190999398.db2.gz RJQMFYFPWPKSAD-OAHLLOKOSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001483916533 1191115504 /nfs/dbraw/zinc/11/55/04/1191115504.db2.gz ADVMJMSQFFKPGX-SJORKVTESA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001483959409 1191128282 /nfs/dbraw/zinc/12/82/82/1191128282.db2.gz SYYFKAWFPRIEJC-APWZRJJASA-N 2 0 347.503 2.103 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484006149 1191149959 /nfs/dbraw/zinc/14/99/59/1191149959.db2.gz CIWYERBCWNWIDN-HNNXBMFYSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001484359614 1191315284 /nfs/dbraw/zinc/31/52/84/1191315284.db2.gz XDUVDVBIFKDULB-WBVHZDCISA-N 2 0 335.467 2.493 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001484381569 1191324216 /nfs/dbraw/zinc/32/42/16/1191324216.db2.gz RPJARGSVKFVFRP-GOEBONIOSA-N 2 0 348.491 2.078 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2nocc2C)C1 ZINC001484523098 1191397425 /nfs/dbraw/zinc/39/74/25/1191397425.db2.gz PLXBCRBMBBOYNP-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001484550271 1191409811 /nfs/dbraw/zinc/40/98/11/1191409811.db2.gz SCWOFYXMQSEOTL-RBUKOAKNSA-N 2 0 329.488 2.009 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001484571759 1191424598 /nfs/dbraw/zinc/42/45/98/1191424598.db2.gz HSDLYCWODFLSRO-RVBKYCJKSA-N 2 0 327.900 2.345 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(C2CC2)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272687949 1191462682 /nfs/dbraw/zinc/46/26/82/1191462682.db2.gz DLRYSVKVZZZCEX-IUODEOHRSA-N 2 0 336.505 2.099 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001484682003 1191469730 /nfs/dbraw/zinc/46/97/30/1191469730.db2.gz FWAPIMZKVKLVFI-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C)c2)CC1)[NH+](C)C ZINC001484725218 1191485931 /nfs/dbraw/zinc/48/59/31/1191485931.db2.gz ZOTIFCRKFFGARF-QZTJIDSGSA-N 2 0 332.492 2.201 10 0 EEAERP CCC1([NH2+]Cc2ccon2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001484819391 1191539576 /nfs/dbraw/zinc/53/95/76/1191539576.db2.gz ODCKYRCXIZVZKP-UHFFFAOYSA-N 2 0 336.480 2.267 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001484902938 1191566115 /nfs/dbraw/zinc/56/61/15/1191566115.db2.gz GNUMDQBANNNULP-APWZRJJASA-N 2 0 347.503 2.223 10 0 EEAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001484916064 1191568707 /nfs/dbraw/zinc/56/87/07/1191568707.db2.gz JMMDTGASTLLWHL-HRCADAONSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484927949 1191573851 /nfs/dbraw/zinc/57/38/51/1191573851.db2.gz APGSXJPRPMDBEQ-UHFFFAOYSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nc(CN2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988174 1191604227 /nfs/dbraw/zinc/60/42/27/1191604227.db2.gz QWKLEBWSKOLWJM-UKRRQHHQSA-N 2 0 338.521 2.261 10 0 EEAERP CC(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485045505 1191624823 /nfs/dbraw/zinc/62/48/23/1191624823.db2.gz ZTPROLMJYUAGLS-QXAKKESOSA-N 2 0 329.488 2.356 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485205141 1191692709 /nfs/dbraw/zinc/69/27/09/1191692709.db2.gz AXGQGJJEZYJMGV-JKSUJKDBSA-N 2 0 331.504 2.500 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc2ncccc2c1 ZINC001485287673 1191720586 /nfs/dbraw/zinc/72/05/86/1191720586.db2.gz RSHWNHUJIFIYEM-BEFAXECRSA-N 2 0 340.471 2.266 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485300834 1191726100 /nfs/dbraw/zinc/72/61/00/1191726100.db2.gz RUQRKEAQUVRDKK-WMZOPIPTSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1nsc(C)c1CN(C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001485347837 1191749054 /nfs/dbraw/zinc/74/90/54/1191749054.db2.gz OHXFXDNNAIOSRZ-GFCCVEGCSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccnc(Cl)c1 ZINC001485350800 1191750731 /nfs/dbraw/zinc/75/07/31/1191750731.db2.gz QCIXJSBAMBKYQB-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485375787 1191764528 /nfs/dbraw/zinc/76/45/28/1191764528.db2.gz AFULCCLXQNUXNL-CABCVRRESA-N 2 0 333.451 2.419 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2conc2C)CCCCC1 ZINC001485455917 1191791873 /nfs/dbraw/zinc/79/18/73/1191791873.db2.gz APSJJVPMMVTRLF-UHFFFAOYSA-N 2 0 336.480 2.234 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001486220727 1193758333 /nfs/dbraw/zinc/75/83/33/1193758333.db2.gz OPEMRIBKECHCOB-IRXDYDNUSA-N 2 0 348.491 2.234 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001486252755 1193779831 /nfs/dbraw/zinc/77/98/31/1193779831.db2.gz IIZZPDPPGXKJJF-JSGCOSHPSA-N 2 0 335.414 2.107 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)c1 ZINC001486389508 1193908594 /nfs/dbraw/zinc/90/85/94/1193908594.db2.gz PONAZPKUKHPZLR-IRXDYDNUSA-N 2 0 332.492 2.105 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NCC1=CC[N@H+](C[C@H]2CCOC2)CC1 ZINC001486521620 1194044549 /nfs/dbraw/zinc/04/45/49/1194044549.db2.gz HHTWPRUNSXQHKG-LJQANCHMSA-N 2 0 349.519 2.037 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001273205219 1197531510 /nfs/dbraw/zinc/53/15/10/1197531510.db2.gz WLMQYHDJBJGSOR-ZDUSSCGKSA-N 2 0 327.419 2.289 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC001410114583 1197554701 /nfs/dbraw/zinc/55/47/01/1197554701.db2.gz HEMSJAJGFFHZTG-HAGHYFMRSA-N 2 0 341.499 2.310 10 0 EEAERP CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@]2(C)C1 ZINC001410173121 1197582847 /nfs/dbraw/zinc/58/28/47/1197582847.db2.gz CRIVHWMUQBWKCB-OYRHEFFESA-N 2 0 343.515 2.351 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273260368 1197840955 /nfs/dbraw/zinc/84/09/55/1197840955.db2.gz IHVJQFZEFVGDME-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800945 1197910875 /nfs/dbraw/zinc/91/08/75/1197910875.db2.gz BINPAFSUMHZYED-HMQMGEFJSA-N 2 0 341.459 2.199 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872279017 1198127149 /nfs/dbraw/zinc/12/71/49/1198127149.db2.gz ANEJDVDNDBRXFQ-HBFSDRIKSA-N 2 0 329.488 2.484 10 0 EEAERP COc1cccc2c(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccnc12 ZINC000866012165 1198454274 /nfs/dbraw/zinc/45/42/74/1198454274.db2.gz SFTWCZLKYFKVDM-HZPDHXFCSA-N 2 0 342.487 2.419 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CC[C@H]1CCCO1)CC2)C1CCC1 ZINC001410885957 1198537836 /nfs/dbraw/zinc/53/78/36/1198537836.db2.gz CHRLZNAHWUNFRK-GGPKGHCWSA-N 2 0 349.519 2.153 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(C)C)CC2 ZINC001410891172 1198545389 /nfs/dbraw/zinc/54/53/89/1198545389.db2.gz SCIXTTUMCAQJHI-XYJFISCASA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ccc(Cl)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022382 1200411556 /nfs/dbraw/zinc/41/15/56/1200411556.db2.gz QYHXBLWKNHKJGG-HUUCEWRRSA-N 2 0 337.895 2.460 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH+]2CCCC2)cc1 ZINC000870875829 1200925548 /nfs/dbraw/zinc/92/55/48/1200925548.db2.gz LBIDBJVZBXETMV-LXZJYRNTSA-N 2 0 327.472 2.376 10 0 EEAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000866705862 1201585005 /nfs/dbraw/zinc/58/50/05/1201585005.db2.gz IOQYYHRBLNRMQX-LJQANCHMSA-N 2 0 346.475 2.422 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)OCCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000867589023 1201639428 /nfs/dbraw/zinc/63/94/28/1201639428.db2.gz BYPJEOPPTHMXCL-QZTJIDSGSA-N 2 0 333.476 2.037 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CCC2CCCCC2)CCOCC1 ZINC001273995459 1202387840 /nfs/dbraw/zinc/38/78/40/1202387840.db2.gz OTIUSKQRYMHMIM-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001274318224 1204995906 /nfs/dbraw/zinc/99/59/06/1204995906.db2.gz MJFPNTYQJIGTQK-OAJJDEHYSA-N 2 0 345.462 2.417 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001274367665 1205011597 /nfs/dbraw/zinc/01/15/97/1205011597.db2.gz DNMSINXQGUASBT-JIYQYTEPSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCOc1ccccc1 ZINC001275482997 1205379995 /nfs/dbraw/zinc/37/99/95/1205379995.db2.gz XXGOKNQTBUMNHL-IRXDYDNUSA-N 2 0 347.503 2.280 10 0 EEAERP CCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+](CC)CC ZINC001411756465 1205512675 /nfs/dbraw/zinc/51/26/75/1205512675.db2.gz PDWBZGKETHSNRM-KRWDZBQOSA-N 2 0 348.539 2.247 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275806734 1205542774 /nfs/dbraw/zinc/54/27/74/1205542774.db2.gz PMZQUXLFXWLRDU-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001275912118 1205582503 /nfs/dbraw/zinc/58/25/03/1205582503.db2.gz IYVBXFFUCWJPKU-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)COC2)C(=O)CCc1c[nH]cn1 ZINC001276040328 1205744583 /nfs/dbraw/zinc/74/45/83/1205744583.db2.gz BKJKHPZROUZAQP-UHFFFAOYSA-N 2 0 342.443 2.011 10 0 EEAERP CN(CCC[NH2+]CCc1cccs1)C(=O)C12CCC[NH+]1CCC2 ZINC001276099084 1205779297 /nfs/dbraw/zinc/77/92/97/1205779297.db2.gz BVULVBSWHXYTGG-UHFFFAOYSA-N 2 0 335.517 2.357 10 0 EEAERP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000924633614 1206007795 /nfs/dbraw/zinc/00/77/95/1206007795.db2.gz WHXHGHSSBBVMLV-FUHWJXTLSA-N 2 0 334.508 2.403 10 0 EEAERP Cc1nc2c(o1)CCC[C@@H]2NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924688236 1206018593 /nfs/dbraw/zinc/01/85/93/1206018593.db2.gz FDQZDKFHBMQQNB-INIZCTEOSA-N 2 0 341.459 2.297 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925326512 1206097599 /nfs/dbraw/zinc/09/75/99/1206097599.db2.gz MEXHQQAZHIISCO-LPHOPBHVSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)cc1 ZINC000925441208 1206112319 /nfs/dbraw/zinc/11/23/19/1206112319.db2.gz OQZHUXMPVWVXLF-KVSKMBFKSA-N 2 0 327.472 2.422 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CCCN2c3ccccc3OCC2=O)C[C@@H]([NH3+])C1 ZINC000925577010 1206130821 /nfs/dbraw/zinc/13/08/21/1206130821.db2.gz ZNHDSKWNFZIQAP-CABCVRRESA-N 2 0 331.460 2.298 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583990 1206132224 /nfs/dbraw/zinc/13/22/24/1206132224.db2.gz ONQDHTIKRODTES-ROUUACIJSA-N 2 0 348.922 2.322 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)C12CCC2 ZINC000925654989 1206140808 /nfs/dbraw/zinc/14/08/08/1206140808.db2.gz SWCNMGJTMUKXEX-STQMWFEESA-N 2 0 327.270 2.285 10 0 EEAERP C1CC2(C1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[C@H]2N1CCOCC1 ZINC000925709794 1206145382 /nfs/dbraw/zinc/14/53/82/1206145382.db2.gz VXWDFIUQMRCOAP-IYWMVGAKSA-N 2 0 347.547 2.388 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925817747 1206157633 /nfs/dbraw/zinc/15/76/33/1206157633.db2.gz WHXZJTIMXMWNKU-RTBURBONSA-N 2 0 345.487 2.181 10 0 EEAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925848547 1206159946 /nfs/dbraw/zinc/15/99/46/1206159946.db2.gz HXAIAHKSYNFCHD-SFHVURJKSA-N 2 0 346.519 2.377 10 0 EEAERP c1ccc(N2CCC([NH2+]CCCCCN3CC[NH2+]CC3)CC2)cc1 ZINC000925847562 1206160073 /nfs/dbraw/zinc/16/00/73/1206160073.db2.gz YZNMSRULLVPWBO-UHFFFAOYSA-N 2 0 330.520 2.321 10 0 EEAERP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855418 1206161388 /nfs/dbraw/zinc/16/13/88/1206161388.db2.gz PGASKOSUEGJGNP-WMLDXEAASA-N 2 0 332.444 2.421 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1nc2c(s1)CCCC2 ZINC000925859125 1206161987 /nfs/dbraw/zinc/16/19/87/1206161987.db2.gz VVVQETKTPBDSPB-STQMWFEESA-N 2 0 349.500 2.358 10 0 EEAERP CC(C)C[C@@H](C)n1nccc1NC(=O)NCCN1CCC([NH3+])CC1 ZINC000926092316 1206190595 /nfs/dbraw/zinc/19/05/95/1206190595.db2.gz YCCBBYOWVQJYHU-CQSZACIVSA-N 2 0 336.484 2.035 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccnnc1 ZINC000926126852 1206195819 /nfs/dbraw/zinc/19/58/19/1206195819.db2.gz SAHCXMOXXMUIAP-DNVCBOLYSA-N 2 0 326.444 2.284 10 0 EEAERP C[C@@H]1CC2(CC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C2)CO1 ZINC000926126891 1206195890 /nfs/dbraw/zinc/19/58/90/1206195890.db2.gz SMNBQNLBCHIQTH-GDBSJFFISA-N 2 0 330.472 2.300 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926376562 1206217065 /nfs/dbraw/zinc/21/70/65/1206217065.db2.gz CZQKFVYSHVJPKW-GOSISDBHSA-N 2 0 334.460 2.401 10 0 EEAERP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000928435380 1206383001 /nfs/dbraw/zinc/38/30/01/1206383001.db2.gz LZJLCVPCJHPDFK-BHIYHBOVSA-N 2 0 329.488 2.150 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@](O)(CC)C(F)(F)F)C1 ZINC000929771144 1206500355 /nfs/dbraw/zinc/50/03/55/1206500355.db2.gz KLMKNFATAAWXRG-UONOGXRCSA-N 2 0 326.403 2.123 10 0 EEAERP CC(C)N(CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1nccs1 ZINC001691736197 1210583136 /nfs/dbraw/zinc/58/31/36/1210583136.db2.gz LZYNRHVLIIQNNN-HNNXBMFYSA-N 2 0 338.521 2.344 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@@H]1OCc1ccccc1 ZINC000717997942 1211685317 /nfs/dbraw/zinc/68/53/17/1211685317.db2.gz KFWVPWSHQOVQOF-OALUTQOASA-N 2 0 331.504 2.383 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001276333167 1215753876 /nfs/dbraw/zinc/75/38/76/1215753876.db2.gz PAKLWZXNTLUSRG-ROUUACIJSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000145686228 1226758178 /nfs/dbraw/zinc/75/81/78/1226758178.db2.gz WJAZGWUQRXUHGT-GOSISDBHSA-N 2 0 346.544 2.209 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900227737 1234106519 /nfs/dbraw/zinc/10/65/19/1234106519.db2.gz DGPGPXWDUBOBDI-UHFFFAOYSA-N 2 0 331.460 2.442 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC(C)C)CCOC2)[C@@H](C)C1 ZINC000903359271 1240304552 /nfs/dbraw/zinc/30/45/52/1240304552.db2.gz BLVYNTAGICPXJP-GBESFXJTSA-N 2 0 342.524 2.297 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000903429270 1240448183 /nfs/dbraw/zinc/44/81/83/1240448183.db2.gz CBVFXYINLZHYGF-GZKSLDRRSA-N 2 0 345.531 2.474 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(OC(C)C)c1)C2 ZINC000903493391 1240661047 /nfs/dbraw/zinc/66/10/47/1240661047.db2.gz WTGVOOJKILVEBU-FCEWJHQRSA-N 2 0 332.444 2.186 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903496511 1240673163 /nfs/dbraw/zinc/67/31/63/1240673163.db2.gz QNBCWBQIQFGXNA-SUMDDJOVSA-N 2 0 329.488 2.439 10 0 EEAERP CC(=O)Nc1ccc2c(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000903500209 1240687522 /nfs/dbraw/zinc/68/75/22/1240687522.db2.gz WFXUQLRJKPNZGY-TZMCWYRMSA-N 2 0 343.427 2.168 10 0 EEAERP COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897073 1242376218 /nfs/dbraw/zinc/37/62/18/1242376218.db2.gz YUJWHJNXYRFHIO-IAGOWNOFSA-N 2 0 342.487 2.344 10 0 EEAERP CCOCc1ccccc1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903924723 1242518746 /nfs/dbraw/zinc/51/87/46/1242518746.db2.gz ICVOGNQPUNXREC-QGZVFWFLSA-N 2 0 329.448 2.029 10 0 EEAERP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903925280 1242519940 /nfs/dbraw/zinc/51/99/40/1242519940.db2.gz DGHXITYHVVCDEG-XYTVBORESA-N 2 0 336.501 2.277 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956405 1242710476 /nfs/dbraw/zinc/71/04/76/1242710476.db2.gz KYZWSINHRKPEHC-QWHCGFSZSA-N 2 0 341.402 2.247 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3C[N@H+](CCC4CC4)CC[C@@H]32)CC1 ZINC001490983699 1258537966 /nfs/dbraw/zinc/53/79/66/1258537966.db2.gz OXZNARVQTYUBAD-ROUUACIJSA-N 2 0 333.520 2.441 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCOC(C)C)C1 ZINC001491108955 1258694550 /nfs/dbraw/zinc/69/45/50/1258694550.db2.gz FKCBXQYKTVPUKO-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001491456977 1259101496 /nfs/dbraw/zinc/10/14/96/1259101496.db2.gz MCUNSASUMWZEKR-JJRVBVJISA-N 2 0 328.460 2.102 10 0 EEAERP CCN(CCNCc1c(F)cccc1F)C(=O)CCn1ccnc1 ZINC001273534037 1279391096 /nfs/dbraw/zinc/39/10/96/1279391096.db2.gz UKQMCPMHDWLKLR-UHFFFAOYSA-N 2 0 336.386 2.190 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC001413683582 1286553811 /nfs/dbraw/zinc/55/38/11/1286553811.db2.gz KKXRNLYIDXFXOP-NXHRZFHOSA-N 2 0 332.492 2.311 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1F ZINC001495049225 1290153290 /nfs/dbraw/zinc/15/32/90/1290153290.db2.gz IEDYADYNSCIYTP-CYBMUJFWSA-N 2 0 329.847 2.415 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001489097230 1290368827 /nfs/dbraw/zinc/36/88/27/1290368827.db2.gz UPOCHYUSOKNLNP-KBPBESRZSA-N 2 0 337.430 2.355 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCCOC)CC[N@@H+]1C ZINC001489326058 1290509609 /nfs/dbraw/zinc/50/96/09/1290509609.db2.gz KSVAIXVEBISFGL-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CCn1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)n1 ZINC001490301691 1291136313 /nfs/dbraw/zinc/13/63/13/1291136313.db2.gz DPRAWGPOVHBRJG-AEFFLSMTSA-N 2 0 349.523 2.104 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cnoc1C ZINC001490348686 1291169305 /nfs/dbraw/zinc/16/93/05/1291169305.db2.gz FQWJYKKDPNATNZ-QZTJIDSGSA-N 2 0 348.491 2.328 10 0 EEAERP CCCCCC[C@@](O)(C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000851810785 1291853525 /nfs/dbraw/zinc/85/35/25/1291853525.db2.gz MWGBRNDBPQATAI-LJQANCHMSA-N 2 0 349.475 2.078 10 0 EEAERP COc1cccc([C@@H](CNC(=O)C=C2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000852856199 1292216334 /nfs/dbraw/zinc/21/63/34/1292216334.db2.gz VUNTVADYOBGDSJ-LJQANCHMSA-N 2 0 343.471 2.258 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852871391 1292223128 /nfs/dbraw/zinc/22/31/28/1292223128.db2.gz NCIACYZTPJZMFU-QFBILLFUSA-N 2 0 327.472 2.323 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC[NH2+]CC1 ZINC000854229318 1292680006 /nfs/dbraw/zinc/68/00/06/1292680006.db2.gz LEMPKMNKDOCBTJ-IAOVAPTHSA-N 2 0 332.444 2.076 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)c3C)C2)ccn1 ZINC000856552813 1293564541 /nfs/dbraw/zinc/56/45/41/1293564541.db2.gz PKVOJCBTCNHHTE-LJQANCHMSA-N 2 0 343.475 2.229 10 0 EEAERP Cn1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000856791122 1293632274 /nfs/dbraw/zinc/63/22/74/1293632274.db2.gz RPHSLQBMAIAWTJ-UHFFFAOYSA-N 2 0 348.878 2.190 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861567172 1295459096 /nfs/dbraw/zinc/45/90/96/1295459096.db2.gz CPXIUHBIAQHAMP-ZWKOTPCHSA-N 2 0 336.524 2.471 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000863642772 1296360542 /nfs/dbraw/zinc/36/05/42/1296360542.db2.gz WWENNYQQGWECJN-MNSDHWDNSA-N 2 0 345.418 2.096 10 0 EEAERP C[C@@H](CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000863643537 1296360934 /nfs/dbraw/zinc/36/09/34/1296360934.db2.gz NJPOWHDJECBFGW-IPELMVKDSA-N 2 0 343.471 2.437 10 0 EEAERP CCc1cccc(F)c1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863642906 1296361247 /nfs/dbraw/zinc/36/12/47/1296361247.db2.gz CBJXQKAVVZVCTE-MSOLQXFVSA-N 2 0 347.434 2.145 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001276812958 1298384885 /nfs/dbraw/zinc/38/48/85/1298384885.db2.gz NDCCTFRQVUCBPW-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncs1 ZINC001277187926 1301728248 /nfs/dbraw/zinc/72/82/48/1301728248.db2.gz YWXYTDFVONIFGT-GOEBONIOSA-N 2 0 338.521 2.390 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001491558308 1303520446 /nfs/dbraw/zinc/52/04/46/1303520446.db2.gz JFMCENQESHJEOY-APWZRJJASA-N 2 0 346.519 2.415 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CCCOC)CC2)C1 ZINC001278072744 1305865674 /nfs/dbraw/zinc/86/56/74/1305865674.db2.gz YQTZJTYFJFFBLI-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C2CCCC2)CC[N@@H+]1C ZINC001278266558 1308933122 /nfs/dbraw/zinc/93/31/22/1308933122.db2.gz FNPVWEQZEGNQIY-BHYGNILZSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CCCC2)C1 ZINC001278273792 1308945463 /nfs/dbraw/zinc/94/54/63/1308945463.db2.gz ABXUWWFXGMKDTC-XSXXPSGLSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(Cl)n1 ZINC000841850805 1315622883 /nfs/dbraw/zinc/62/28/83/1315622883.db2.gz DUTLNSFIDHZTGN-RHSMWYFYSA-N 2 0 336.867 2.035 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841927158 1315638763 /nfs/dbraw/zinc/63/87/63/1315638763.db2.gz HQCIPPMOEUMBJT-QAPCUYQASA-N 2 0 332.492 2.060 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001278704885 1317803000 /nfs/dbraw/zinc/80/30/00/1317803000.db2.gz UINBTSOIKXZKMD-ZIAGYGMSSA-N 2 0 337.430 2.355 10 0 EEAERP Cc1cccnc1C[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265050719 1322890497 /nfs/dbraw/zinc/89/04/97/1322890497.db2.gz IBQMXLPUUUDQMN-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001265083875 1322912211 /nfs/dbraw/zinc/91/22/11/1322912211.db2.gz UUWWNQCUQZHKQW-FUHWJXTLSA-N 2 0 349.523 2.218 10 0 EEAERP Cc1ccncc1C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001265164482 1322960174 /nfs/dbraw/zinc/96/01/74/1322960174.db2.gz JWNRXYCUENSMIJ-UHFFFAOYSA-N 2 0 344.503 2.345 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCCOC(C)C)CC2)[NH+](C)C ZINC001265329684 1323078676 /nfs/dbraw/zinc/07/86/76/1323078676.db2.gz LCOTXPNCMZSMNJ-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265406502 1323134610 /nfs/dbraw/zinc/13/46/10/1323134610.db2.gz ADQRJHHWNRWUBV-XBMSPAHDSA-N 2 0 331.504 2.360 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CCCc2ccsc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001265456413 1323164707 /nfs/dbraw/zinc/16/47/07/1323164707.db2.gz RWLJCHCATOSAMT-HKUYNNGSSA-N 2 0 347.528 2.357 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001265494127 1323182744 /nfs/dbraw/zinc/18/27/44/1323182744.db2.gz JXLNXJIKIPYBQX-DJIMGWMZSA-N 2 0 335.517 2.259 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001265682081 1323317769 /nfs/dbraw/zinc/31/77/69/1323317769.db2.gz KPMLPDKPHQIURL-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001265832719 1323410301 /nfs/dbraw/zinc/41/03/01/1323410301.db2.gz PNVOMXWVOWDDKV-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266021266 1323573153 /nfs/dbraw/zinc/57/31/53/1323573153.db2.gz VBERTUZLMPRFFI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)Cc2cncs2)CC[N@@H+]1C ZINC001266042615 1323592832 /nfs/dbraw/zinc/59/28/32/1323592832.db2.gz IYSMOOJZWKHNTR-JKSUJKDBSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(NCCC[N@H+](CCc1cccs1)C1CC1)C12CC[NH+](CC1)C2 ZINC001266169337 1323737555 /nfs/dbraw/zinc/73/75/55/1323737555.db2.gz YHBLPIALURKQFE-UHFFFAOYSA-N 2 0 347.528 2.357 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001279722938 1323986054 /nfs/dbraw/zinc/98/60/54/1323986054.db2.gz PSVALESGRGHLMM-CJNGLKHVSA-N 2 0 339.430 2.231 10 0 EEAERP CCC1([NH2+]CCCOC)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001281050000 1324744465 /nfs/dbraw/zinc/74/44/65/1324744465.db2.gz RPHBIYWQJUJRSH-CALCHBBNSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCCCF)C[C@H]32)CC[N@@H+]1C ZINC001276678989 1325169999 /nfs/dbraw/zinc/16/99/99/1325169999.db2.gz RZSLGSQBYSKMMY-NNPSNHGLSA-N 2 0 339.499 2.151 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001281714091 1325409440 /nfs/dbraw/zinc/40/94/40/1325409440.db2.gz MURDRKDRHFFLOC-GZBFAFLISA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282168348 1325640058 /nfs/dbraw/zinc/64/00/58/1325640058.db2.gz QVHHTYCIZMUOFI-SJORKVTESA-N 2 0 347.503 2.423 10 0 EEAERP CC(C)CCOCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283318906 1326006373 /nfs/dbraw/zinc/00/63/73/1326006373.db2.gz DVWKFBLFEMPWBB-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCc1ccccc1Cl ZINC001491581087 1330172387 /nfs/dbraw/zinc/17/23/87/1330172387.db2.gz ZKNXHTZHOCQFTQ-HUUCEWRRSA-N 2 0 337.895 2.319 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C/C=C/Cl)C2)CC[N@@H+]1C ZINC001491945051 1330336830 /nfs/dbraw/zinc/33/68/30/1330336830.db2.gz YMBFJLMINRPLSE-ZPCLDPMFSA-N 2 0 327.900 2.392 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001492144291 1331006653 /nfs/dbraw/zinc/00/66/53/1331006653.db2.gz UVHGYVWOPJIAGQ-SJORKVTESA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001492256985 1331118121 /nfs/dbraw/zinc/11/81/21/1331118121.db2.gz JGHZOQCODHQCQY-APWZRJJASA-N 2 0 329.488 2.446 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CC(F)(F)C1 ZINC001316854276 1331470008 /nfs/dbraw/zinc/47/00/08/1331470008.db2.gz OAEDMAGVAOBWAA-HZPDHXFCSA-N 2 0 343.462 2.487 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2cccc(F)c2F)CC1 ZINC001316845783 1331931101 /nfs/dbraw/zinc/93/11/01/1331931101.db2.gz VBFJXUIQONRMNH-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316880475 1331947354 /nfs/dbraw/zinc/94/73/54/1331947354.db2.gz PNIBWRYTLQQGEB-DLBZAZTESA-N 2 0 327.513 2.111 10 0 EEAERP CC[N@H+](CCCNC(=O)Cc1[nH]cnc1C)Cc1ccc(C)nc1C ZINC001316905939 1331971124 /nfs/dbraw/zinc/97/11/24/1331971124.db2.gz MUMIADDCNDGGTB-UHFFFAOYSA-N 2 0 343.475 2.301 10 0 EEAERP Cc1nocc1C[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001316926741 1331994240 /nfs/dbraw/zinc/99/42/40/1331994240.db2.gz FIAVRXQADXQSSR-GJZGRUSLSA-N 2 0 348.491 2.327 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100065 1332078673 /nfs/dbraw/zinc/07/86/73/1332078673.db2.gz MUBMHMZPXIABPI-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001317163373 1332106921 /nfs/dbraw/zinc/10/69/21/1332106921.db2.gz TWWORJUOVMTDCW-MRXNPFEDSA-N 2 0 325.472 2.050 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC[C@H]2CCCO2)CCC1 ZINC001317191040 1332123391 /nfs/dbraw/zinc/12/33/91/1332123391.db2.gz WJYGJZWOSQLVPG-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317305385 1332172313 /nfs/dbraw/zinc/17/23/13/1332172313.db2.gz KYLAEORLHDBZOC-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCF)C2)CC1 ZINC001317361843 1332195338 /nfs/dbraw/zinc/19/53/38/1332195338.db2.gz WLJBOQNYEKSIOX-SJORKVTESA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001317365684 1332196968 /nfs/dbraw/zinc/19/69/68/1332196968.db2.gz ZEJHDYWPUVLICO-ROUUACIJSA-N 2 0 332.492 2.331 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1cccnc1 ZINC001317421817 1332225498 /nfs/dbraw/zinc/22/54/98/1332225498.db2.gz CRSJCMAOTKHPPS-MOPGFXCFSA-N 2 0 344.503 2.427 10 0 EEAERP CC(C)c1cnc(CNCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC001317670925 1332362590 /nfs/dbraw/zinc/36/25/90/1332362590.db2.gz ZGKQXGJFQHXNAX-GASCZTMLSA-N 2 0 336.480 2.219 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001318725651 1332583177 /nfs/dbraw/zinc/58/31/77/1332583177.db2.gz ATMIDRYAVQZCBO-CRAIPNDOSA-N 2 0 327.488 2.341 10 0 EEAERP CCCCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001318958840 1332629383 /nfs/dbraw/zinc/62/93/83/1332629383.db2.gz JTTDBHKTLGWBPA-BZSNNMDCSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1F ZINC001319269363 1332673031 /nfs/dbraw/zinc/67/30/31/1332673031.db2.gz HOKIMYCGBIVVIM-HOTGVXAUSA-N 2 0 335.467 2.052 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1nccs1 ZINC001319737180 1332754571 /nfs/dbraw/zinc/75/45/71/1332754571.db2.gz WHTLGECYGXYJRQ-LSDHHAIUSA-N 2 0 336.505 2.098 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001319762170 1332760652 /nfs/dbraw/zinc/76/06/52/1332760652.db2.gz CWHHIUQUHRPXRM-CVEARBPZSA-N 2 0 344.459 2.344 10 0 EEAERP C[C@H]([NH2+]CCF)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001319830216 1332778432 /nfs/dbraw/zinc/77/84/32/1332778432.db2.gz CWUYBILHEJQAFS-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001320474973 1332892483 /nfs/dbraw/zinc/89/24/83/1332892483.db2.gz WJOMYKSDGADHBW-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001320634043 1332925844 /nfs/dbraw/zinc/92/58/44/1332925844.db2.gz MYXQQGAYRFXACT-AEFFLSMTSA-N 2 0 347.503 2.410 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320758519 1332947202 /nfs/dbraw/zinc/94/72/02/1332947202.db2.gz LMXLQHRONFBGSQ-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)cs1)C(=O)C12CCC[NH+]1CCC2 ZINC001320781805 1332952353 /nfs/dbraw/zinc/95/23/53/1332952353.db2.gz MBUMBTQNNZGLAF-UHFFFAOYSA-N 2 0 336.505 2.018 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320929566 1332981414 /nfs/dbraw/zinc/98/14/14/1332981414.db2.gz SAYHQEREXOMOCY-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001321110765 1333021904 /nfs/dbraw/zinc/02/19/04/1333021904.db2.gz NRKYXKIZXPMTCI-ICWYTKJFSA-N 2 0 331.451 2.414 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321121646 1333024300 /nfs/dbraw/zinc/02/43/00/1333024300.db2.gz VMPUHXUEGRYOMR-IPLHWJFFSA-N 2 0 347.507 2.019 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC/C=C\C[NH2+]Cc2cccnc2)C1 ZINC001321248276 1333054758 /nfs/dbraw/zinc/05/47/58/1333054758.db2.gz AIMYDFMOUGRWFZ-HMECNJMJSA-N 2 0 348.466 2.056 10 0 EEAERP CCc1ccccc1CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321394497 1333093833 /nfs/dbraw/zinc/09/38/33/1333093833.db2.gz XLCQJYQOLOFAOV-RURPWVQCSA-N 2 0 329.488 2.005 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321418716 1333099456 /nfs/dbraw/zinc/09/94/56/1333099456.db2.gz HXBWDHDHFYHMRT-OZSKJFCKSA-N 2 0 348.491 2.182 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1cncc(F)c1)[NH+]1CCCC1 ZINC001321422104 1333100838 /nfs/dbraw/zinc/10/08/38/1333100838.db2.gz YVCVUUJRYOJQPQ-DDKKJVIOSA-N 2 0 348.466 2.103 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001321813421 1333161887 /nfs/dbraw/zinc/16/18/87/1333161887.db2.gz GHNMZZSKIDDQOA-NZHVKVKSSA-N 2 0 345.487 2.287 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1csc(C)n1 ZINC001322530141 1333276690 /nfs/dbraw/zinc/27/66/90/1333276690.db2.gz DBVRFVMHIZGGBE-MRXNPFEDSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)co1 ZINC001322724350 1333314385 /nfs/dbraw/zinc/31/43/85/1333314385.db2.gz PQJIBAJUFBLMPL-OAHLLOKOSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001323001107 1333367329 /nfs/dbraw/zinc/36/73/29/1333367329.db2.gz UYTNMORYSVXCOW-SLFFLAALSA-N 2 0 343.515 2.444 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCc1ccccc1 ZINC001323198809 1333409747 /nfs/dbraw/zinc/40/97/47/1333409747.db2.gz KODUOKOREQFJEC-MOPGFXCFSA-N 2 0 329.488 2.294 10 0 EEAERP COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325396123 1333878840 /nfs/dbraw/zinc/87/88/40/1333878840.db2.gz HNJPCESMBCNGPO-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001326897831 1334179441 /nfs/dbraw/zinc/17/94/41/1334179441.db2.gz CPOAKOUDKOEIJA-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001327901870 1334361861 /nfs/dbraw/zinc/36/18/61/1334361861.db2.gz KYBFTRMJTDEUDR-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001328643802 1334492766 /nfs/dbraw/zinc/49/27/66/1334492766.db2.gz JEUCXEWUBZMRRX-KSZLIROESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CCCNCc1ncc(C2CC2)o1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330819946 1334908999 /nfs/dbraw/zinc/90/89/99/1334908999.db2.gz HROPYOBFGQEDEV-IIAWOOMASA-N 2 0 348.491 2.267 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001332109256 1335730996 /nfs/dbraw/zinc/73/09/96/1335730996.db2.gz FKNSTMABWSWLNY-PXNSSMCTSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1c(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)ccc2c[nH+]cn21 ZINC001335322756 1336363734 /nfs/dbraw/zinc/36/37/34/1336363734.db2.gz 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ZINC001650613806 1354023804 /nfs/dbraw/zinc/02/38/04/1354023804.db2.gz RUDZTIYCQATIPZ-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001656453992 1354239624 /nfs/dbraw/zinc/23/96/24/1354239624.db2.gz PXPCNRBLOUEHTQ-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1)[NH+](C)C ZINC001656831191 1354282610 /nfs/dbraw/zinc/28/26/10/1354282610.db2.gz ZIHAGECZTKYKRT-FGTMMUONSA-N 2 0 341.515 2.493 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001657106155 1354328720 /nfs/dbraw/zinc/32/87/20/1354328720.db2.gz MQBRRYXJRZGQMR-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1cncc(F)c1 ZINC001660190089 1354412601 /nfs/dbraw/zinc/41/26/01/1354412601.db2.gz HJCHJHAFCIEDHC-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1scnc1C ZINC001660409367 1354460045 /nfs/dbraw/zinc/46/00/45/1354460045.db2.gz ZFRVRQYTAMSABX-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)Cc2cccnc2)c1 ZINC001660408763 1354460358 /nfs/dbraw/zinc/46/03/58/1354460358.db2.gz NCSCYCHPESIEHL-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP O=C(NCCCN(Cc1ccon1)C1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660731473 1354527992 /nfs/dbraw/zinc/52/79/92/1354527992.db2.gz DYIUGVJDJPNLAU-ZWKOTPCHSA-N 2 0 346.475 2.162 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC001661690875 1354673170 /nfs/dbraw/zinc/67/31/70/1354673170.db2.gz WRJZHKVLRQMFGN-WNRNVDISSA-N 2 0 339.524 2.159 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001662238651 1354767575 /nfs/dbraw/zinc/76/75/75/1354767575.db2.gz BIZLMBCAMUITKZ-RYUDHWBXSA-N 2 0 336.307 2.149 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3)C2)CCC1 ZINC001662642037 1354818451 /nfs/dbraw/zinc/81/84/51/1354818451.db2.gz YFMHPBWGSITCNU-SFHVURJKSA-N 2 0 329.488 2.152 10 0 EEAERP 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CC(C)(C(=O)NC1CC(C[NH2+]CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001674570351 1356860000 /nfs/dbraw/zinc/86/00/00/1356860000.db2.gz VFVTVWAYJIYUBX-UHFFFAOYSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001674687155 1356876278 /nfs/dbraw/zinc/87/62/78/1356876278.db2.gz MUMJDPRUUDDMCI-KGLIPLIRSA-N 2 0 332.448 2.164 10 0 EEAERP Cc1cccnc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001698692410 1405017458 /nfs/dbraw/zinc/01/74/58/1405017458.db2.gz VWXFXIMRJCINPS-IBGZPJMESA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698755912 1405044587 /nfs/dbraw/zinc/04/45/87/1405044587.db2.gz VSCUNIJDTDTLGX-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001699101281 1405254470 /nfs/dbraw/zinc/25/44/70/1405254470.db2.gz VYFTZPFILUZOET-VQIMIIECSA-N 2 0 329.488 2.321 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001699109081 1405264624 /nfs/dbraw/zinc/26/46/24/1405264624.db2.gz YHQVYMLRFXSBTR-GUYCJALGSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001699140751 1405290509 /nfs/dbraw/zinc/29/05/09/1405290509.db2.gz ORZUFLVIJYIPHR-PBHICJAKSA-N 2 0 336.480 2.230 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846698036 790435067 /nfs/dbraw/zinc/43/50/67/790435067.db2.gz AOIMVIFRMBYZPN-RCCFBDPRSA-N 2 0 339.524 2.386 10 0 EEAERP O[C@]1(C(F)F)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000824726204 788289362 /nfs/dbraw/zinc/28/93/62/788289362.db2.gz JFDKAFLIJJHFNG-GOSISDBHSA-N 2 0 340.414 2.363 10 0 EEAERP c1nc2n(c1CNC1CC[NH+](CCc3ccccc3)CC1)CCOC2 ZINC000921525861 788846873 /nfs/dbraw/zinc/84/68/73/788846873.db2.gz AEVDYHWEZUNTKI-UHFFFAOYSA-N 2 0 340.471 2.210 10 0 EEAERP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923282832 789296822 /nfs/dbraw/zinc/29/68/22/789296822.db2.gz YMQWWLRAIVXIJI-NEPJUHHUSA-N 2 0 333.259 2.404 10 0 EEAERP O=C1C[C@@H](c2ccccc2)[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923306272 789349034 /nfs/dbraw/zinc/34/90/34/789349034.db2.gz JVENEWABTRALAT-DQXYTYHJSA-N 2 0 327.472 2.470 10 0 EEAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000923388052 789484492 /nfs/dbraw/zinc/48/44/92/789484492.db2.gz MZSYHWNPRFQJKL-RTBURBONSA-N 2 0 332.488 2.446 10 0 EEAERP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923422783 789524743 /nfs/dbraw/zinc/52/47/43/789524743.db2.gz RYYHVVLUADKYNI-QFHJOOASSA-N 2 0 342.524 2.018 10 0 EEAERP Cc1ccc(-c2noc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)n2)cc1 ZINC000923455726 789571747 /nfs/dbraw/zinc/57/17/47/789571747.db2.gz MJQCTJBWIXFPKO-INIZCTEOSA-N 2 0 342.443 2.375 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1nc(-c3ccccc3)no1)CC2 ZINC000923456461 789573028 /nfs/dbraw/zinc/57/30/28/789573028.db2.gz PZVSZMVUYCXDKJ-HNNXBMFYSA-N 2 0 328.416 2.066 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923511163 789697605 /nfs/dbraw/zinc/69/76/05/789697605.db2.gz ZXKKEKFWTGCAOJ-RYUDHWBXSA-N 2 0 340.265 2.304 10 0 EEAERP COC(=O)COc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000921791514 795994596 /nfs/dbraw/zinc/99/45/96/795994596.db2.gz UIOSCXSJBCNWEM-ALOPSCKCSA-N 2 0 332.444 2.343 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](C)CCCc2cccnc2)cnn1C ZINC000903929225 796154013 /nfs/dbraw/zinc/15/40/13/796154013.db2.gz CIZHCJJOXIVUOT-MAUKXSAKSA-N 2 0 329.492 2.242 10 0 EEAERP CO[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716690378 796443210 /nfs/dbraw/zinc/44/32/10/796443210.db2.gz FVXRYNJMLQPLDH-MUGJNUQGSA-N 2 0 330.472 2.435 10 0 EEAERP FCCn1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000922244703 800032800 /nfs/dbraw/zinc/03/28/00/800032800.db2.gz XROOLOOVTMCAIX-UHFFFAOYSA-N 2 0 331.439 2.249 10 0 EEAERP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1[nH]nc3ccccc31)C2 ZINC000922386403 800944188 /nfs/dbraw/zinc/94/41/88/800944188.db2.gz HCZVMAWNVNJILH-YSHGAJCASA-N 2 0 328.460 2.132 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000922500227 801188421 /nfs/dbraw/zinc/18/84/21/801188421.db2.gz ACMAEWWARMUXKN-ATLSCFEFSA-N 2 0 330.476 2.041 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000922854904 802069063 /nfs/dbraw/zinc/06/90/63/802069063.db2.gz ZAKFBKCWCCLKQA-SJLPKXTDSA-N 2 0 347.507 2.106 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1c(C)nsc1C ZINC001566560689 1125736171 /nfs/dbraw/zinc/73/61/71/1125736171.db2.gz RIQPMPAVTUPLRY-MRXNPFEDSA-N 2 0 338.521 2.182 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCOc1cccc(C)c1 ZINC001436439072 1087829910 /nfs/dbraw/zinc/82/99/10/1087829910.db2.gz MIWLOMJEGVAPHC-RBUKOAKNSA-N 2 0 347.503 2.295 10 0 EEAERP CCc1ccc(CC[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001436771612 1088313732 /nfs/dbraw/zinc/31/37/32/1088313732.db2.gz BGCNRYRMASPGHQ-PMACEKPBSA-N 2 0 343.515 2.370 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC001436799086 1088370279 /nfs/dbraw/zinc/37/02/79/1088370279.db2.gz OLLFHXBUDXQZJY-QZTJIDSGSA-N 2 0 333.451 2.294 10 0 EEAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001436841080 1088474042 /nfs/dbraw/zinc/47/40/42/1088474042.db2.gz MFRUJVNXGGMRPH-MRXNPFEDSA-N 2 0 325.472 2.002 10 0 EEAERP Cc1cnc([C@H](C)[NH+]2CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001437001038 1088755886 /nfs/dbraw/zinc/75/58/86/1088755886.db2.gz IRKLWKXYYIMYJN-DLBZAZTESA-N 2 0 347.507 2.014 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(F)c1F ZINC001437198429 1089257130 /nfs/dbraw/zinc/25/71/30/1089257130.db2.gz KVFCOBDZCVDJJX-RDBSUJKOSA-N 2 0 339.430 2.289 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001437217678 1089299089 /nfs/dbraw/zinc/29/90/89/1089299089.db2.gz VWVARWCKUAEQMH-YOEHRIQHSA-N 2 0 336.455 2.078 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001437235343 1089334720 /nfs/dbraw/zinc/33/47/20/1089334720.db2.gz KGBONYHICKRUQU-GDBMZVCRSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001437282716 1089436766 /nfs/dbraw/zinc/43/67/66/1089436766.db2.gz VFOMMDANEFXRSW-HNNXBMFYSA-N 2 0 336.480 2.139 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001437328442 1089498131 /nfs/dbraw/zinc/49/81/31/1089498131.db2.gz NVJLRELCQYOUNT-HNNXBMFYSA-N 2 0 344.459 2.106 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCF)C1 ZINC001437339717 1089533488 /nfs/dbraw/zinc/53/34/88/1089533488.db2.gz WUVUTZFDCARUFE-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437353204 1089570883 /nfs/dbraw/zinc/57/08/83/1089570883.db2.gz PCQWEEOEKGBTNL-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437404079 1089677519 /nfs/dbraw/zinc/67/75/19/1089677519.db2.gz RABUKJRYACMTKY-GDBMZVCRSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(CF)cc1 ZINC001437415518 1089695477 /nfs/dbraw/zinc/69/54/77/1089695477.db2.gz APCUZEPMHXQVAF-OAHLLOKOSA-N 2 0 333.451 2.236 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)n1 ZINC001437541588 1089991740 /nfs/dbraw/zinc/99/17/40/1089991740.db2.gz OVSOMFPDVHYOEZ-PKOBYXMFSA-N 2 0 346.519 2.367 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001437722789 1090276184 /nfs/dbraw/zinc/27/61/84/1090276184.db2.gz MSYRHWFLOQWZJE-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001437739923 1090301113 /nfs/dbraw/zinc/30/11/13/1090301113.db2.gz WSQPLJLOMNXETC-IRXDYDNUSA-N 2 0 333.451 2.106 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001438192179 1090689768 /nfs/dbraw/zinc/68/97/68/1090689768.db2.gz NPYMQJLGNZZKMS-FUHWJXTLSA-N 2 0 333.451 2.345 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001438250853 1090734024 /nfs/dbraw/zinc/73/40/24/1090734024.db2.gz WLQCOGATADWQBL-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)cc1 ZINC001438342516 1090819464 /nfs/dbraw/zinc/81/94/64/1090819464.db2.gz WKIQPRFJZRTAAE-NVXWUHKLSA-N 2 0 333.476 2.021 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001438370933 1090849075 /nfs/dbraw/zinc/84/90/75/1090849075.db2.gz GZJVLFRDZMHFJO-MRXNPFEDSA-N 2 0 327.419 2.289 10 0 EEAERP O=C(NCCC1CC[NH+](CC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001438452233 1090959505 /nfs/dbraw/zinc/95/95/05/1090959505.db2.gz FNPNCIIBZNNFPV-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1oncc1C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001438464451 1090972245 /nfs/dbraw/zinc/97/22/45/1090972245.db2.gz JSPUMGNERMFRSI-UHFFFAOYSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001438517504 1091010471 /nfs/dbraw/zinc/01/04/71/1091010471.db2.gz GLDHHNQEHDFKDY-ZDUSSCGKSA-N 2 0 331.451 2.248 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001438520836 1091013355 /nfs/dbraw/zinc/01/33/55/1091013355.db2.gz NRYVFXATJCQEIA-JKSUJKDBSA-N 2 0 347.503 2.440 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnc(C)o2)CCCC1 ZINC001438611730 1091100945 /nfs/dbraw/zinc/10/09/45/1091100945.db2.gz MPEAVEFMVPYFDU-QGZVFWFLSA-N 2 0 348.491 2.376 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001438714289 1091234466 /nfs/dbraw/zinc/23/44/66/1091234466.db2.gz MXOVOSIDPVVJAI-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438723664 1091251836 /nfs/dbraw/zinc/25/18/36/1091251836.db2.gz QQJKZQLKFLDUAN-YJBOKZPZSA-N 2 0 340.471 2.123 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445759860 1091605994 /nfs/dbraw/zinc/60/59/94/1091605994.db2.gz BFNXHPIIRWWFTP-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439139790 1091782959 /nfs/dbraw/zinc/78/29/59/1091782959.db2.gz MLJKIGGLZXZILT-XWIAVFTESA-N 2 0 333.451 2.392 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C2CC2)on1 ZINC001445958031 1091904559 /nfs/dbraw/zinc/90/45/59/1091904559.db2.gz NVVYJTSDOIAQHF-ROUUACIJSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C2CC2)on1 ZINC001445958026 1091904788 /nfs/dbraw/zinc/90/47/88/1091904788.db2.gz NVVYJTSDOIAQHF-QZTJIDSGSA-N 2 0 348.491 2.088 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccccc1F)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001445959346 1091906555 /nfs/dbraw/zinc/90/65/55/1091906555.db2.gz YZVYJQGNJSLCJU-PKOBYXMFSA-N 2 0 345.462 2.152 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC001445973627 1091929345 /nfs/dbraw/zinc/92/93/45/1091929345.db2.gz YWPPOKOAAFAEEX-INIZCTEOSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001439330328 1092016215 /nfs/dbraw/zinc/01/62/15/1092016215.db2.gz YLYHBDUIAAJDHB-YQVWRLOYSA-N 2 0 347.503 2.151 10 0 EEAERP Cc1nocc1CN1CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001446044065 1092044368 /nfs/dbraw/zinc/04/43/68/1092044368.db2.gz AWMXQSJJQBTRKF-QGZVFWFLSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001439366373 1092090344 /nfs/dbraw/zinc/09/03/44/1092090344.db2.gz MRDBCJDSNTXAAV-KBXCAEBGSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C2CC2)c1 ZINC001439462890 1092244691 /nfs/dbraw/zinc/24/46/91/1092244691.db2.gz SCVPGCDEZSCPGD-MOPGFXCFSA-N 2 0 344.503 2.247 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(F)(F)C1)[NH+](CC)CC ZINC001439542509 1092407654 /nfs/dbraw/zinc/40/76/54/1092407654.db2.gz AVKJOIKFKVJRRV-GJZGRUSLSA-N 2 0 331.451 2.343 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccc2Cl)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001439605945 1092511372 /nfs/dbraw/zinc/51/13/72/1092511372.db2.gz VUHGLQLVCHZYLA-MRXNPFEDSA-N 2 0 347.890 2.420 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001446332561 1092538435 /nfs/dbraw/zinc/53/84/35/1092538435.db2.gz QNXRTBVXQZOBBJ-LJQANCHMSA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001439784798 1092742318 /nfs/dbraw/zinc/74/23/18/1092742318.db2.gz UKWFTUZCSAOICK-LSDHHAIUSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)co1 ZINC001439883124 1092933108 /nfs/dbraw/zinc/93/31/08/1092933108.db2.gz FPDHTAMVIJMLBA-HKUYNNGSSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001439919518 1092995805 /nfs/dbraw/zinc/99/58/05/1092995805.db2.gz DECWFNYKYRAXQH-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](C[C@H](C)CC)CCO2 ZINC001448399410 1093402674 /nfs/dbraw/zinc/40/26/74/1093402674.db2.gz WDDFGQZKLFSXMF-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440310439 1093440537 /nfs/dbraw/zinc/44/05/37/1093440537.db2.gz CJVPAESQDBWFGB-TXPKVOOTSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC2)c(C)n1 ZINC001440311235 1093442281 /nfs/dbraw/zinc/44/22/81/1093442281.db2.gz BOIJQTNJJNWNII-SFHVURJKSA-N 2 0 344.503 2.311 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CC5(CCC5)C4)C[C@H]32)CCC1 ZINC001448430090 1093442529 /nfs/dbraw/zinc/44/25/29/1093442529.db2.gz MXNVFHMGYKERIP-NNZMDNLPSA-N 2 0 345.531 2.345 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C1 ZINC001448481385 1093503491 /nfs/dbraw/zinc/50/34/91/1093503491.db2.gz YACBHYFWXQPHSV-RRFJBIMHSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1cc(C[NH+](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)sn1 ZINC001448554986 1093598952 /nfs/dbraw/zinc/59/89/52/1093598952.db2.gz QOBGNPVLMJDBFU-UHFFFAOYSA-N 2 0 338.521 2.215 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)CC1)[NH+](C)C ZINC001440407655 1093599635 /nfs/dbraw/zinc/59/96/35/1093599635.db2.gz WZSVBEUXKHRYKO-SJORKVTESA-N 2 0 336.455 2.032 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1c1cccc(F)c1 ZINC001440418214 1093612971 /nfs/dbraw/zinc/61/29/71/1093612971.db2.gz CUVFWKMERYTMSG-RTBURBONSA-N 2 0 347.478 2.462 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001448699868 1093763261 /nfs/dbraw/zinc/76/32/61/1093763261.db2.gz KIGLQSGKCNTVIO-ZDUSSCGKSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001448723560 1093795596 /nfs/dbraw/zinc/79/55/96/1093795596.db2.gz FYASARBASMEKDX-YOEHRIQHSA-N 2 0 336.480 2.182 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001440800736 1094045133 /nfs/dbraw/zinc/04/51/33/1094045133.db2.gz RVHBPQABEKAETJ-CVEARBPZSA-N 2 0 347.503 2.471 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001440841231 1094096732 /nfs/dbraw/zinc/09/67/32/1094096732.db2.gz VDDLZNCIIVIIRN-SJORKVTESA-N 2 0 347.503 2.410 10 0 EEAERP CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC001449087359 1094100755 /nfs/dbraw/zinc/10/07/55/1094100755.db2.gz UHRQFMZHRPGQFV-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001440857222 1094117355 /nfs/dbraw/zinc/11/73/55/1094117355.db2.gz KNDLACADSNIOEP-GJZGRUSLSA-N 2 0 333.476 2.040 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001449263626 1094212389 /nfs/dbraw/zinc/21/23/89/1094212389.db2.gz BZGAZRREWZUCPQ-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]Cc2ccns2)C(C)(C)C)C1 ZINC001449320320 1094273858 /nfs/dbraw/zinc/27/38/58/1094273858.db2.gz BPXDSSUJNJFQDO-UKRRQHHQSA-N 2 0 338.521 2.105 10 0 EEAERP C[NH+]1CCC(CC(=O)NC2(C3CC[NH+](CCF)CC3)CC2)CC1 ZINC001449397437 1094376027 /nfs/dbraw/zinc/37/60/27/1094376027.db2.gz ABCGBOFASGOQGO-UHFFFAOYSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001441202793 1094564474 /nfs/dbraw/zinc/56/44/74/1094564474.db2.gz XZQIQPHKMWEFOJ-JKSUJKDBSA-N 2 0 343.462 2.389 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC001441480633 1095151069 /nfs/dbraw/zinc/15/10/69/1095151069.db2.gz PXMZJLBNTVHLPT-MOPGFXCFSA-N 2 0 344.503 2.236 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+]1CCCCC1 ZINC001441551509 1095282378 /nfs/dbraw/zinc/28/23/78/1095282378.db2.gz UIGQFKNBFFCUTI-NCOADZHNSA-N 2 0 327.488 2.482 10 0 EEAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001441577459 1095367797 /nfs/dbraw/zinc/36/77/97/1095367797.db2.gz WBPVRMWACBRVMC-HNNXBMFYSA-N 2 0 329.448 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCOC1CCC1)CC2 ZINC001441861929 1095964643 /nfs/dbraw/zinc/96/46/43/1095964643.db2.gz KFUSBYKVXFORRM-HKUYNNGSSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001441862787 1095967230 /nfs/dbraw/zinc/96/72/30/1095967230.db2.gz WLVJQPGRZNSCJT-QAPCUYQASA-N 2 0 349.523 2.240 10 0 EEAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001441872429 1095988101 /nfs/dbraw/zinc/98/81/01/1095988101.db2.gz VTMZODCWEZMXFV-WBVHZDCISA-N 2 0 349.523 2.107 10 0 EEAERP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001441880819 1096004161 /nfs/dbraw/zinc/00/41/61/1096004161.db2.gz SPXHYEUZSQIULO-VUSXOHGVSA-N 2 0 325.884 2.051 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001441899426 1096054407 /nfs/dbraw/zinc/05/44/07/1096054407.db2.gz MVLDXCZWRIEJDC-CABCVRRESA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001441945552 1096144987 /nfs/dbraw/zinc/14/49/87/1096144987.db2.gz VFPYDHJSFPUBQZ-HSBZDZAISA-N 2 0 337.430 2.401 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)COC2CC[NH+](C)CC2)c(C)c1 ZINC001441980415 1096184221 /nfs/dbraw/zinc/18/42/21/1096184221.db2.gz LMYBKWJSSMDFNW-KRWDZBQOSA-N 2 0 347.503 2.009 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)nsc1C ZINC001442060611 1096273316 /nfs/dbraw/zinc/27/33/16/1096273316.db2.gz GDTCOTGZRPDNAD-LRDDRELGSA-N 2 0 338.521 2.229 10 0 EEAERP COc1cccc(Cl)c1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001442064187 1096275463 /nfs/dbraw/zinc/27/54/63/1096275463.db2.gz KSHFVGOPYIPNCT-ZDUSSCGKSA-N 2 0 341.883 2.283 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001442136397 1096380951 /nfs/dbraw/zinc/38/09/51/1096380951.db2.gz DMMOBNWIZDOOCR-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001442221654 1096516933 /nfs/dbraw/zinc/51/69/33/1096516933.db2.gz NUPGKYDAFAVVHU-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)CC[NH+](C)C)CC2)s1 ZINC001442221705 1096518014 /nfs/dbraw/zinc/51/80/14/1096518014.db2.gz NYSHBRLGFILBCF-ZDUSSCGKSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001442243589 1096544764 /nfs/dbraw/zinc/54/47/64/1096544764.db2.gz OTFOLBJMYHHNJJ-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](C(=O)NCC[N@H+](C)C[C@@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001442546479 1096909046 /nfs/dbraw/zinc/90/90/46/1096909046.db2.gz WRUJNUOOCTUKKR-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC001442801873 1097183708 /nfs/dbraw/zinc/18/37/08/1097183708.db2.gz QOYHPNAKISJBEY-SFHVURJKSA-N 2 0 340.471 2.267 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001443072820 1097484830 /nfs/dbraw/zinc/48/48/30/1097484830.db2.gz BEOHDZJMWOFISB-QFBILLFUSA-N 2 0 329.488 2.446 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001443217802 1097673420 /nfs/dbraw/zinc/67/34/20/1097673420.db2.gz IURWYHKWLWULAL-SZVBFZGTSA-N 2 0 347.478 2.494 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCCO1 ZINC001443956875 1098476701 /nfs/dbraw/zinc/47/67/01/1098476701.db2.gz BBGQKHMKXZUKIV-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001444039265 1098560780 /nfs/dbraw/zinc/56/07/80/1098560780.db2.gz OIMDNPYVWNLAMM-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP COCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001479502115 1098569711 /nfs/dbraw/zinc/56/97/11/1098569711.db2.gz MTPRQWPPNPYFSS-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444050003 1098575501 /nfs/dbraw/zinc/57/55/01/1098575501.db2.gz YSEDXQDOUFQBML-IAGOWNOFSA-N 2 0 328.460 2.104 10 0 EEAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001479526123 1098593382 /nfs/dbraw/zinc/59/33/82/1098593382.db2.gz PGKXZTOTZSCVCE-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001479691155 1098754863 /nfs/dbraw/zinc/75/48/63/1098754863.db2.gz XDYOZDBDMBFFSM-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001444319091 1098880269 /nfs/dbraw/zinc/88/02/69/1098880269.db2.gz GDWMSWQDKNPSGT-UKRRQHHQSA-N 2 0 332.448 2.010 10 0 EEAERP CCn1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001444382722 1098967434 /nfs/dbraw/zinc/96/74/34/1098967434.db2.gz ULVBAFGKAJKNPV-FUHWJXTLSA-N 2 0 349.523 2.008 10 0 EEAERP CCn1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001444384317 1098971305 /nfs/dbraw/zinc/97/13/05/1098971305.db2.gz WNOVGRMTSBJPCR-SJORKVTESA-N 2 0 349.523 2.009 10 0 EEAERP C[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828577 1099108386 /nfs/dbraw/zinc/10/83/86/1099108386.db2.gz BRLQCBOZZYGGMP-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](NCc2coc(C3CC3)n2)C1)CC(C)(C)C ZINC001480158735 1099730269 /nfs/dbraw/zinc/73/02/69/1099730269.db2.gz YSPUJYUTFRZJQX-SHTZXODSSA-N 2 0 348.491 2.267 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001480221449 1099838678 /nfs/dbraw/zinc/83/86/78/1099838678.db2.gz WKBBMMIJXDCXSF-BHYGNILZSA-N 2 0 345.487 2.335 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C1)[NH+](C)C ZINC001480232147 1099857981 /nfs/dbraw/zinc/85/79/81/1099857981.db2.gz PIMNNTKGBJGMMN-SOLBZPMBSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1F ZINC001444904056 1099966058 /nfs/dbraw/zinc/96/60/58/1099966058.db2.gz BFJHJGHLLSHJIU-CRAIPNDOSA-N 2 0 335.467 2.398 10 0 EEAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001480393028 1100200948 /nfs/dbraw/zinc/20/09/48/1100200948.db2.gz PDUQAIUJZIKGNQ-XIVXSAHPSA-N 2 0 331.504 2.406 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC1CCOCC1 ZINC001480558313 1100400224 /nfs/dbraw/zinc/40/02/24/1100400224.db2.gz AOYLDNHVWIUPAD-QGZVFWFLSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496251092 1100820272 /nfs/dbraw/zinc/82/02/72/1100820272.db2.gz SXPAFIVCAICIGS-YOEHRIQHSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)c1 ZINC001446557978 1101037860 /nfs/dbraw/zinc/03/78/60/1101037860.db2.gz HKFGQRRNYRKZAI-HXUWFJFHSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)on1 ZINC001495364295 1101080179 /nfs/dbraw/zinc/08/01/79/1101080179.db2.gz UJXXLWJMAREIIO-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCF)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001496504858 1101102540 /nfs/dbraw/zinc/10/25/40/1101102540.db2.gz KZONPLJEUFFHTC-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001496561401 1101162373 /nfs/dbraw/zinc/16/23/73/1101162373.db2.gz KMARCNFCVLJTOP-RDJZCZTQSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495786384 1101596053 /nfs/dbraw/zinc/59/60/53/1101596053.db2.gz RPIBWZCDIPNKAH-KRWDZBQOSA-N 2 0 343.515 2.365 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]C/C=C/c1ccccc1 ZINC001495785885 1101596719 /nfs/dbraw/zinc/59/67/19/1101596719.db2.gz MEHDQRPLZISPKC-CUXJHESGSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001495963413 1101843014 /nfs/dbraw/zinc/84/30/14/1101843014.db2.gz IYXGBQVHTCZULN-UHFFFAOYSA-N 2 0 348.491 2.378 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC001447091068 1101972497 /nfs/dbraw/zinc/97/24/97/1101972497.db2.gz UVBHAXVYCSWKKM-VQIMIIECSA-N 2 0 347.503 2.209 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C1CC[NH+](C)CC1 ZINC001497263046 1102217264 /nfs/dbraw/zinc/21/72/64/1102217264.db2.gz KODKXWPIMLCCOJ-OAHLLOKOSA-N 2 0 345.487 2.043 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]Cc1cncs1)[NH+]1CCCCCC1 ZINC001497689608 1102910524 /nfs/dbraw/zinc/91/05/24/1102910524.db2.gz AHIMZRYMOBSIOZ-FOSCPCJNSA-N 2 0 336.505 2.170 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001447860533 1103464121 /nfs/dbraw/zinc/46/41/21/1103464121.db2.gz BAKMHDPOIIODER-OLZOCXBDSA-N 2 0 334.464 2.019 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1C ZINC001447872604 1103488705 /nfs/dbraw/zinc/48/87/05/1103488705.db2.gz SCWADCUMPVCZIR-HOTGVXAUSA-N 2 0 347.503 2.471 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1F)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447909668 1103573666 /nfs/dbraw/zinc/57/36/66/1103573666.db2.gz VDPHJGQIMJKLLV-CABCVRRESA-N 2 0 335.467 2.193 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2nc3ccccc3o2)C1 ZINC001494155986 1103614968 /nfs/dbraw/zinc/61/49/68/1103614968.db2.gz DOTNZFXBLMWGCC-HNNXBMFYSA-N 2 0 344.459 2.060 10 0 EEAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CCc1ccccc1 ZINC001448124609 1104060163 /nfs/dbraw/zinc/06/01/63/1104060163.db2.gz SWUWMNCRMYGUBK-PXNSSMCTSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1ncoc1C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001448254051 1104249918 /nfs/dbraw/zinc/24/99/18/1104249918.db2.gz FCTJRRDCVMOHKJ-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(N(C)C)c2)C1)[NH+](C)C ZINC001448343186 1104431239 /nfs/dbraw/zinc/43/12/39/1104431239.db2.gz YGJPIPKNWWDUGU-BEFAXECRSA-N 2 0 346.519 2.029 10 0 EEAERP CCOC1CC(C[N@@H+]2CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001494925185 1104567336 /nfs/dbraw/zinc/56/73/36/1104567336.db2.gz PCTZDXZDYSBJDH-LXPRWKDFSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498043658 1106825379 /nfs/dbraw/zinc/82/53/79/1106825379.db2.gz OPUUGUTVDOLZLD-KSSFIOAISA-N 2 0 333.451 2.070 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccnc2C)C1)[NH+](CC)CC ZINC001480664248 1106842482 /nfs/dbraw/zinc/84/24/82/1106842482.db2.gz WSWJHNBNDOWVQP-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001480814155 1107166065 /nfs/dbraw/zinc/16/60/65/1107166065.db2.gz ULXIIGATEQJIMX-CYBMUJFWSA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCF)[NH+]1CCCC1 ZINC001480833012 1107228003 /nfs/dbraw/zinc/22/80/03/1107228003.db2.gz LUTOSIQSHFMAKS-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)C[C@H]1C[NH+](C)C ZINC001454702649 1107525176 /nfs/dbraw/zinc/52/51/76/1107525176.db2.gz ZMTSABFQNBUATG-VPRUJKLYSA-N 2 0 335.536 2.401 10 0 EEAERP Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+]1CCCCC1 ZINC001454777854 1107632704 /nfs/dbraw/zinc/63/27/04/1107632704.db2.gz ZLJMUGDGTIXRPU-SJLPKXTDSA-N 2 0 346.523 2.135 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498498460 1107639378 /nfs/dbraw/zinc/63/93/78/1107639378.db2.gz UUGDJCKZKHORRM-ROUUACIJSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001493234703 1107739250 /nfs/dbraw/zinc/73/92/50/1107739250.db2.gz SEAYXWNCMHVOQJ-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493266318 1107810753 /nfs/dbraw/zinc/81/07/53/1107810753.db2.gz DWUSPIDMYUJNNP-AEFFLSMTSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001498819915 1108163849 /nfs/dbraw/zinc/16/38/49/1108163849.db2.gz XNEPHDGEVUKWTM-MSOLQXFVSA-N 2 0 333.451 2.249 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001498864685 1108244214 /nfs/dbraw/zinc/24/42/14/1108244214.db2.gz SOSUAIXTAPXLAM-KRWDZBQOSA-N 2 0 337.414 2.045 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCOC)CC1 ZINC001493828218 1108709990 /nfs/dbraw/zinc/70/99/90/1108709990.db2.gz VOUYYUIHIIGTBW-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CN2CCN(C(=O)NC[C@@H]3CC[N@H+]3CC)CC2)cc1 ZINC001479176754 1110661377 /nfs/dbraw/zinc/66/13/77/1110661377.db2.gz PGHKISFRCXBPMP-IBGZPJMESA-N 2 0 344.503 2.170 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCc3ccccc3)C2)C1 ZINC001479407141 1110692315 /nfs/dbraw/zinc/69/23/15/1110692315.db2.gz AYELGGUTGRIVOG-GUDVDZBRSA-N 2 0 329.488 2.055 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001499353010 1112246785 /nfs/dbraw/zinc/24/67/85/1112246785.db2.gz XDFCMELOVLYKLO-GOSISDBHSA-N 2 0 325.472 2.404 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001499922513 1112542514 /nfs/dbraw/zinc/54/25/14/1112542514.db2.gz FTUARIBEARIFPQ-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1cncs1)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001500122657 1112627158 /nfs/dbraw/zinc/62/71/58/1112627158.db2.gz IHPRICJQLCOKEE-MRXNPFEDSA-N 2 0 348.516 2.004 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001500225475 1112686759 /nfs/dbraw/zinc/68/67/59/1112686759.db2.gz KPPPJYBAEFGCIH-GXTWGEPZSA-N 2 0 341.393 2.199 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001501091316 1113195772 /nfs/dbraw/zinc/19/57/72/1113195772.db2.gz MSYVMAQUHKDFDH-RDJZCZTQSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091746 1113196080 /nfs/dbraw/zinc/19/60/80/1113196080.db2.gz QAYLVPNVWZSSJN-ZFWWWQNUSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569511 1113386172 /nfs/dbraw/zinc/38/61/72/1113386172.db2.gz ZTHOGAHQTPXCFJ-FGTMMUONSA-N 2 0 344.503 2.058 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CCC(F)(F)F)C2)CC1 ZINC001501611046 1113399358 /nfs/dbraw/zinc/39/93/58/1113399358.db2.gz HVADQDZLPWQXMD-CYBMUJFWSA-N 2 0 335.414 2.109 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001501625765 1113404173 /nfs/dbraw/zinc/40/41/73/1113404173.db2.gz QQZOVTSNBDUQTR-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001502081717 1113580742 /nfs/dbraw/zinc/58/07/42/1113580742.db2.gz WJTKEVUPUAYZJE-IBGZPJMESA-N 2 0 345.487 2.145 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505760554 1114174516 /nfs/dbraw/zinc/17/45/16/1114174516.db2.gz MHDNBCCNQOKVSO-CVEARBPZSA-N 2 0 334.508 2.076 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943560 1114293018 /nfs/dbraw/zinc/29/30/18/1114293018.db2.gz KMJMZDSGLDSCJF-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506056318 1114380633 /nfs/dbraw/zinc/38/06/33/1114380633.db2.gz DQNOFBHQJKKFCL-KXBFYZLASA-N 2 0 329.488 2.064 10 0 EEAERP CCc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001506885803 1114950460 /nfs/dbraw/zinc/95/04/60/1114950460.db2.gz CBVIEAFXTLTXKP-BZUAXINKSA-N 2 0 348.491 2.096 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001506897864 1114958359 /nfs/dbraw/zinc/95/83/59/1114958359.db2.gz WPCJXLISIJTETQ-QEJZJMRPSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)no1 ZINC001506904784 1114962880 /nfs/dbraw/zinc/96/28/80/1114962880.db2.gz OLHHMRRRMYWHHD-QAQDUYKDSA-N 2 0 348.491 2.234 10 0 EEAERP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001507091132 1115103502 /nfs/dbraw/zinc/10/35/02/1115103502.db2.gz HOBDDWNMCAJALB-HUUCEWRRSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001507118460 1115117535 /nfs/dbraw/zinc/11/75/35/1115117535.db2.gz NYRFWAZFZRDDRU-QWHCGFSZSA-N 2 0 327.419 2.414 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001507128391 1115123337 /nfs/dbraw/zinc/12/33/37/1115123337.db2.gz VDEQBXZQPZFLOQ-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507412471 1115256957 /nfs/dbraw/zinc/25/69/57/1115256957.db2.gz WHSMITCNTJSTJQ-DLBZAZTESA-N 2 0 333.476 2.021 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001508016221 1115389325 /nfs/dbraw/zinc/38/93/25/1115389325.db2.gz OLRHMELHOCPDMQ-QGZVFWFLSA-N 2 0 341.540 2.121 10 0 EEAERP COC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001508083403 1115415583 /nfs/dbraw/zinc/41/55/83/1115415583.db2.gz UHZNIMRJEVXNTI-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](CCCCc2ccccc2)C1 ZINC001567848810 1124137993 /nfs/dbraw/zinc/13/79/93/1124137993.db2.gz MMZKGWBAYHBEND-UHFFFAOYSA-N 2 0 329.488 2.153 10 0 EEAERP COCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568056450 1124262000 /nfs/dbraw/zinc/26/20/00/1124262000.db2.gz DBGVCCZPUXFGIN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001568139508 1124324087 /nfs/dbraw/zinc/32/40/87/1124324087.db2.gz GFQRQOLEGHYPNP-CQSZACIVSA-N 2 0 327.469 2.364 10 0 EEAERP Cc1c(C(=O)N(C)CC[N@@H+](C)CCCOC(C)C)ccc2c[nH+]cn21 ZINC001568488366 1124544631 /nfs/dbraw/zinc/54/46/31/1124544631.db2.gz XTWBAOMBRURGEL-UHFFFAOYSA-N 2 0 346.475 2.462 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001568540112 1124600765 /nfs/dbraw/zinc/60/07/65/1124600765.db2.gz KUONRXIAFHLWTP-WBVHZDCISA-N 2 0 347.528 2.261 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ocnc2C)C1 ZINC001568669902 1124683811 /nfs/dbraw/zinc/68/38/11/1124683811.db2.gz YRHGDSVZXDLADB-GOEBONIOSA-N 2 0 336.480 2.089 10 0 EEAERP CCN(CC[NH2+]CC1CCOCC1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001568756438 1124771358 /nfs/dbraw/zinc/77/13/58/1124771358.db2.gz UYCNDQWJHZZPQF-UHFFFAOYSA-N 2 0 344.459 2.121 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791480 1124803119 /nfs/dbraw/zinc/80/31/19/1124803119.db2.gz KRVVCXHGGIPGAS-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001568791854 1124805143 /nfs/dbraw/zinc/80/51/43/1124805143.db2.gz WRJVGRRFOPUKHV-HNNXBMFYSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)CC[C@H]2CCC[N@H+]2C)sn1 ZINC001568865748 1124890737 /nfs/dbraw/zinc/89/07/37/1124890737.db2.gz KJDMNSUCRQWRPD-ABCZVMIZSA-N 2 0 336.505 2.088 10 0 EEAERP C[C@@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001569136322 1125119985 /nfs/dbraw/zinc/11/99/85/1125119985.db2.gz PIRSXHWBAVHUKA-KRWDZBQOSA-N 2 0 347.503 2.234 10 0 EEAERP CN(CCC[NH2+][C@H]1CCCc2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569267108 1125206446 /nfs/dbraw/zinc/20/64/46/1125206446.db2.gz NFVBISVBTXAFOX-HKUYNNGSSA-N 2 0 329.488 2.454 10 0 EEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055064886 214269776 /nfs/dbraw/zinc/26/97/76/214269776.db2.gz CZEPLXPCQUWMRE-VXGBXAGGSA-N 2 0 330.270 2.458 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416175301 529799093 /nfs/dbraw/zinc/79/90/93/529799093.db2.gz HRUGATZWFQNHRJ-WOJBJXKFSA-N 2 0 341.499 2.378 10 0 EEAERP CC[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C[C@@H](C)O ZINC000181688069 539586379 /nfs/dbraw/zinc/58/63/79/539586379.db2.gz ICKCQIWOBAZYQX-VQIMIIECSA-N 2 0 337.483 2.035 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103309147 219289216 /nfs/dbraw/zinc/28/92/16/219289216.db2.gz CCLWYDNEVUNIGN-LJQANCHMSA-N 2 0 346.519 2.190 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000339072589 539817900 /nfs/dbraw/zinc/81/79/00/539817900.db2.gz YHVNSDKFYXQYKR-MOPGFXCFSA-N 3 0 334.552 2.153 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179139433 283051202 /nfs/dbraw/zinc/05/12/02/283051202.db2.gz QHXWQMOPUUNCCG-QZTJIDSGSA-N 2 0 330.476 2.073 10 0 EEAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2Br)CC1 ZINC000036170694 213074181 /nfs/dbraw/zinc/07/41/81/213074181.db2.gz XDCLMMHPTFFCDL-HNNXBMFYSA-N 2 0 326.282 2.475 10 0 EEAERP CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418773089 239322790 /nfs/dbraw/zinc/32/27/90/239322790.db2.gz QCRYICFITNCRRN-OALUTQOASA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000447821713 242321260 /nfs/dbraw/zinc/32/12/60/242321260.db2.gz MATWXEUIGCWHCH-HZPDHXFCSA-N 2 0 343.471 2.240 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000079688997 217248908 /nfs/dbraw/zinc/24/89/08/217248908.db2.gz UNTCRQUAOIKUQF-IAGOWNOFSA-N 2 0 326.529 2.384 10 0 EEAERP C[NH+](C)CCN1C(=O)CC[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000011910291 211268226 /nfs/dbraw/zinc/26/82/26/211268226.db2.gz GRQWAYQQQODLPH-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCOCC(F)(F)F)C1 ZINC000195276387 256009016 /nfs/dbraw/zinc/00/90/16/256009016.db2.gz OZKPZKVZLSFNQN-HNNXBMFYSA-N 2 0 331.382 2.414 10 0 EEAERP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCSCC1 ZINC000129342955 533299449 /nfs/dbraw/zinc/29/94/49/533299449.db2.gz DQIKEVBFOOMGOZ-FUHWJXTLSA-N 2 0 347.528 2.205 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000121439995 289207349 /nfs/dbraw/zinc/20/73/49/289207349.db2.gz LGSPXCKLARZFBF-QAPCUYQASA-N 2 0 330.476 2.073 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188855659 160130809 /nfs/dbraw/zinc/13/08/09/160130809.db2.gz VHTWFTLVGDNXTJ-UHFFFAOYSA-N 2 0 327.428 2.415 10 0 EEAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000188971649 160133116 /nfs/dbraw/zinc/13/31/16/160133116.db2.gz ZVNAGQDKJRDUQS-MAUKXSAKSA-N 2 0 345.393 2.299 10 0 EEAERP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737567 160199667 /nfs/dbraw/zinc/19/96/67/160199667.db2.gz NFHRBRBUNYOXOA-KRWDZBQOSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097358949 286832034 /nfs/dbraw/zinc/83/20/34/286832034.db2.gz YKDQFIHPLOGBFC-WMZOPIPTSA-N 2 0 332.492 2.463 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246364106 160275854 /nfs/dbraw/zinc/27/58/54/160275854.db2.gz FQDBJYQQTPRMBG-SJORKVTESA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367914269 166019793 /nfs/dbraw/zinc/01/97/93/166019793.db2.gz BIIFZDSTHQLSIK-JKSUJKDBSA-N 2 0 334.508 2.129 10 0 EEAERP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccc(C)nc3)CC2)CC1 ZINC000370069130 166388111 /nfs/dbraw/zinc/38/81/11/166388111.db2.gz DUPJOXQVIMSPMW-KRWDZBQOSA-N 2 0 344.503 2.122 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000272686917 269008198 /nfs/dbraw/zinc/00/81/98/269008198.db2.gz BQLNQRVSGDVMRG-SNRMKQJTSA-N 2 0 342.487 2.381 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000361894920 289152964 /nfs/dbraw/zinc/15/29/64/289152964.db2.gz RJRBGODEUHDJLX-HSALFYBXSA-N 2 0 337.552 2.445 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000416432120 313222031 /nfs/dbraw/zinc/22/20/31/313222031.db2.gz JJZJKJMDQYDKFA-CABCVRRESA-N 2 0 332.473 2.350 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416841015 313331197 /nfs/dbraw/zinc/33/11/97/313331197.db2.gz LOHIFJZESMBJKS-XHSDSOJGSA-N 2 0 348.516 2.421 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000416883986 313348186 /nfs/dbraw/zinc/34/81/86/313348186.db2.gz CJQQRGCSNMQMOM-MAUKXSAKSA-N 2 0 332.492 2.326 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416886968 313349685 /nfs/dbraw/zinc/34/96/85/313349685.db2.gz HKJRSHIBESRPMZ-RBUKOAKNSA-N 2 0 344.503 2.422 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417049776 313407520 /nfs/dbraw/zinc/40/75/20/313407520.db2.gz VCTBTYMFNMPITQ-NUJGCVRESA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417542186 313536798 /nfs/dbraw/zinc/53/67/98/313536798.db2.gz ZODOERCFVULIAI-NUJGCVRESA-N 2 0 336.524 2.423 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOCCOc1ccccc1 ZINC000441245984 315176064 /nfs/dbraw/zinc/17/60/64/315176064.db2.gz GOBGBVKKHUYNIS-MISYRCLQSA-N 2 0 348.487 2.266 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527798928 317265714 /nfs/dbraw/zinc/26/57/14/317265714.db2.gz JDGCRNCTOQHESV-WMZOPIPTSA-N 2 0 336.524 2.425 10 0 EEAERP COc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000530249286 317704666 /nfs/dbraw/zinc/70/46/66/317704666.db2.gz URNWXUOCNGACLJ-INIZCTEOSA-N 2 0 348.443 2.014 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563092272 318971136 /nfs/dbraw/zinc/97/11/36/318971136.db2.gz JDHSMLNTHRDXHF-LJQANCHMSA-N 2 0 342.487 2.129 10 0 EEAERP O[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000568974324 319534883 /nfs/dbraw/zinc/53/48/83/319534883.db2.gz CYUYIECARBZVTM-DSKINZAPSA-N 2 0 338.451 2.436 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000569794782 319608343 /nfs/dbraw/zinc/60/83/43/319608343.db2.gz HHCJKAFPXIOUPZ-KBXCAEBGSA-N 2 0 330.476 2.380 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000570920385 319709943 /nfs/dbraw/zinc/70/99/43/319709943.db2.gz KCMCKPZHLLTREC-SFHVURJKSA-N 2 0 338.467 2.415 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1ccc(F)cc1 ZINC000577859797 320280479 /nfs/dbraw/zinc/28/04/79/320280479.db2.gz NVNDUOAFNUJTHW-SFHVURJKSA-N 2 0 329.419 2.360 10 0 EEAERP COCCN1CCC[C@H]1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182791917 323388274 /nfs/dbraw/zinc/38/82/74/323388274.db2.gz OXJVWWOKQDXROS-YOEHRIQHSA-N 2 0 328.403 2.353 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186571328 323445103 /nfs/dbraw/zinc/44/51/03/323445103.db2.gz YIKVWPJCYCXDIH-INIZCTEOSA-N 2 0 347.507 2.200 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000085393882 462543975 /nfs/dbraw/zinc/54/39/75/462543975.db2.gz VMPUCLRSGPHBTH-NEWSRXKRSA-N 2 0 346.519 2.141 10 0 EEAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288081 465093884 /nfs/dbraw/zinc/09/38/84/465093884.db2.gz MBVVWIMKUPGFQX-FXAWDEMLSA-N 2 0 331.504 2.243 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000358666291 465251643 /nfs/dbraw/zinc/25/16/43/465251643.db2.gz NRDMGKQMGVABSL-UHFFFAOYSA-N 2 0 334.508 2.298 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000113591426 462604218 /nfs/dbraw/zinc/60/42/18/462604218.db2.gz IPYNLVDRIKAPNZ-NXHRZFHOSA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000063710952 462664768 /nfs/dbraw/zinc/66/47/68/462664768.db2.gz ZRNVPILQMQLKFT-KRWDZBQOSA-N 2 0 347.503 2.477 10 0 EEAERP C[NH+](C)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063734820 462668026 /nfs/dbraw/zinc/66/80/26/462668026.db2.gz UCRQMSGLKXPKDA-UHFFFAOYSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@H](C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000066853313 462937631 /nfs/dbraw/zinc/93/76/31/462937631.db2.gz LZFPOSLZHRELFP-MRXNPFEDSA-N 2 0 329.488 2.465 10 0 EEAERP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000579223335 468327449 /nfs/dbraw/zinc/32/74/49/468327449.db2.gz YBWQMWZYKYHWHC-KZNAEPCWSA-N 2 0 325.541 2.037 10 0 EEAERP C[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)CS(C)(=O)=O ZINC000121740724 463186942 /nfs/dbraw/zinc/18/69/42/463186942.db2.gz VNFDRLZPVBTOJO-INIZCTEOSA-N 2 0 330.538 2.255 10 0 EEAERP C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276584 463505034 /nfs/dbraw/zinc/50/50/34/463505034.db2.gz IUEKWMPKAJDMOD-MJGOQNOKSA-N 2 0 349.519 2.124 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000073952904 463673696 /nfs/dbraw/zinc/67/36/96/463673696.db2.gz OEPNDCMPTSRXNC-GOSISDBHSA-N 2 0 338.540 2.482 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)o1 ZINC000170836287 463719131 /nfs/dbraw/zinc/71/91/31/463719131.db2.gz LOLWJYBRYKALQX-CVEARBPZSA-N 2 0 334.464 2.070 10 0 EEAERP CCC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185849336 463890507 /nfs/dbraw/zinc/89/05/07/463890507.db2.gz MWWVQPWKLSTFGP-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1F ZINC000261909968 463896420 /nfs/dbraw/zinc/89/64/20/463896420.db2.gz IUOOPFGHJLAYHW-XYPHTWIQSA-N 2 0 326.387 2.090 10 0 EEAERP CC[C@H](C(=O)N1CCNC[C@H]1c1ccccc1OC)[NH+](CC)CC ZINC000261912562 463897787 /nfs/dbraw/zinc/89/77/87/463897787.db2.gz HSGYBJCXHOERNB-SJORKVTESA-N 2 0 333.476 2.289 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262200218 463971260 /nfs/dbraw/zinc/97/12/60/463971260.db2.gz KLIUFADUMACDMS-FCEWJHQRSA-N 2 0 345.487 2.336 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172232738 464023338 /nfs/dbraw/zinc/02/33/38/464023338.db2.gz WJKKBBWRCGJQAR-RBUKOAKNSA-N 2 0 342.487 2.141 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179383270 464124109 /nfs/dbraw/zinc/12/41/09/464124109.db2.gz BPDVXWBPBSWFBP-MSOLQXFVSA-N 2 0 330.476 2.217 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000173535534 464279339 /nfs/dbraw/zinc/27/93/39/464279339.db2.gz SXMZBEZEQPJWML-LJQANCHMSA-N 2 0 342.487 2.164 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267254 464385884 /nfs/dbraw/zinc/38/58/84/464385884.db2.gz SYZPYQUFMWIOQB-WMZOPIPTSA-N 2 0 332.492 2.243 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246335522 464573010 /nfs/dbraw/zinc/57/30/10/464573010.db2.gz OOIACXYIULWJEB-DUQJVZAFSA-N 2 0 336.524 2.421 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(CCO)CC2)CC1 ZINC000189998132 464582391 /nfs/dbraw/zinc/58/23/91/464582391.db2.gz OWPUCTOHWSTJBC-UHFFFAOYSA-N 2 0 337.895 2.344 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000247438752 464679464 /nfs/dbraw/zinc/67/94/64/464679464.db2.gz XNUVIIOLFVNNPX-MOPGFXCFSA-N 2 0 346.519 2.141 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(C2CC2)oc1C ZINC000351811608 465374965 /nfs/dbraw/zinc/37/49/65/465374965.db2.gz OXBIRLLCSGIFDY-MRXNPFEDSA-N 2 0 348.491 2.349 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)C(=O)NCC[NH+](C)C ZINC000361023321 465711271 /nfs/dbraw/zinc/71/12/71/465711271.db2.gz UWZFAZAKLDMATN-ULQDDVLXSA-N 2 0 341.540 2.261 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353500582 465937268 /nfs/dbraw/zinc/93/72/68/465937268.db2.gz FZFXWHKECRZKHK-YENGBRFLSA-N 2 0 340.414 2.167 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(COC)s1 ZINC000349059061 465944008 /nfs/dbraw/zinc/94/40/08/465944008.db2.gz BDXLOCCTCDWTIR-OAHLLOKOSA-N 2 0 340.537 2.137 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000346189147 465974279 /nfs/dbraw/zinc/97/42/79/465974279.db2.gz CMEOUNCLORVVAP-QGZVFWFLSA-N 2 0 325.460 2.493 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000358185815 466523618 /nfs/dbraw/zinc/52/36/18/466523618.db2.gz INEMGLROFUNXJS-GOSISDBHSA-N 2 0 334.508 2.202 10 0 EEAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000374595251 466686780 /nfs/dbraw/zinc/68/67/80/466686780.db2.gz SLWLHOQTEBSUMB-SFHVURJKSA-N 2 0 345.487 2.129 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000415910839 466715907 /nfs/dbraw/zinc/71/59/07/466715907.db2.gz CGVIXHVSGCYHIQ-HZPDHXFCSA-N 2 0 336.505 2.305 10 0 EEAERP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471732 466754109 /nfs/dbraw/zinc/75/41/09/466754109.db2.gz HTMWUCGYJCKAOH-BBRMVZONSA-N 2 0 327.419 2.275 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417218438 466806334 /nfs/dbraw/zinc/80/63/34/466806334.db2.gz GUTMEDDWPYLIQC-INMHGKMJSA-N 2 0 336.524 2.279 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417444758 466860952 /nfs/dbraw/zinc/86/09/52/466860952.db2.gz DPNFWBJHZXEWFC-ZXZQKFIBSA-N 2 0 336.524 2.170 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000417738705 466921916 /nfs/dbraw/zinc/92/19/16/466921916.db2.gz PHVTWICNDGMXAC-ZBFHGGJFSA-N 2 0 336.505 2.136 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417987919 467012454 /nfs/dbraw/zinc/01/24/54/467012454.db2.gz JOAAKSQQPDHLJZ-XHSVMWQWSA-N 2 0 346.475 2.008 10 0 EEAERP CCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004302 467018914 /nfs/dbraw/zinc/01/89/14/467018914.db2.gz YVHFPAIAPUMSSO-VQISRLSMSA-N 2 0 342.846 2.261 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000418009758 467021672 /nfs/dbraw/zinc/02/16/72/467021672.db2.gz FTQCIMUWYYFLDB-ROUUACIJSA-N 2 0 334.508 2.202 10 0 EEAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418431332 467109314 /nfs/dbraw/zinc/10/93/14/467109314.db2.gz WSKLKAUIMIAUQT-QZTJIDSGSA-N 2 0 332.492 2.276 10 0 EEAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418431331 467109767 /nfs/dbraw/zinc/10/97/67/467109767.db2.gz WSKLKAUIMIAUQT-MSOLQXFVSA-N 2 0 332.492 2.276 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418466360 467115424 /nfs/dbraw/zinc/11/54/24/467115424.db2.gz RECABNWVHYEYJM-KXBFYZLASA-N 2 0 330.476 2.334 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418579300 467131279 /nfs/dbraw/zinc/13/12/79/467131279.db2.gz RGDZTIIXFMPJFM-WMZOPIPTSA-N 2 0 332.492 2.066 10 0 EEAERP CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418672318 467144535 /nfs/dbraw/zinc/14/45/35/467144535.db2.gz MLCVDNTWUSBUIH-ROUUACIJSA-N 2 0 330.476 2.345 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969585 467404813 /nfs/dbraw/zinc/40/48/13/467404813.db2.gz ZFJZPICEHHDUGF-JXFKEZNVSA-N 2 0 337.467 2.438 10 0 EEAERP C[C@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397901264 467444602 /nfs/dbraw/zinc/44/46/02/467444602.db2.gz SPHSOKAOFKPQTR-WOJBJXKFSA-N 2 0 331.504 2.087 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCC2CC2)CC1 ZINC000449114479 467618781 /nfs/dbraw/zinc/61/87/81/467618781.db2.gz CWGUQGPTEJTQLY-DYESRHJHSA-N 2 0 346.515 2.459 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449754181 467708196 /nfs/dbraw/zinc/70/81/96/467708196.db2.gz LCBKBQIGUZAEAD-VDZJLULYSA-N 2 0 329.488 2.326 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000457102730 467752580 /nfs/dbraw/zinc/75/25/80/467752580.db2.gz AHTFBPQUOJGTBL-MRXNPFEDSA-N 2 0 333.476 2.182 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000458346533 467812880 /nfs/dbraw/zinc/81/28/80/467812880.db2.gz SOVGMEBBEHBFOE-YESZJQIVSA-N 2 0 336.524 2.375 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1cccc(F)c1 ZINC000530239614 467967135 /nfs/dbraw/zinc/96/71/35/467967135.db2.gz HAZLEHBWYNNUFU-GOSISDBHSA-N 2 0 349.450 2.245 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCC[NH2+]1 ZINC000567647184 468176731 /nfs/dbraw/zinc/17/67/31/468176731.db2.gz YDRSZCDRWSZXFC-KCXAZCMYSA-N 2 0 329.423 2.129 10 0 EEAERP C[NH+]1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H]1c1ccccc1 ZINC000489937531 468178708 /nfs/dbraw/zinc/17/87/08/468178708.db2.gz ZJCLGBCAFMVDKB-GGPKGHCWSA-N 2 0 342.487 2.169 10 0 EEAERP Cc1n[nH]c(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000582664643 468574788 /nfs/dbraw/zinc/57/47/88/468574788.db2.gz LHPACGOKVFUVRX-KRWDZBQOSA-N 2 0 325.460 2.442 10 0 EEAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1I ZINC000600707180 468626835 /nfs/dbraw/zinc/62/68/35/468626835.db2.gz ABMGNIZZJAOOPA-NSHDSACASA-N 2 0 348.228 2.307 10 0 EEAERP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)COCc1ccccc1F ZINC000570564618 468657276 /nfs/dbraw/zinc/65/72/76/468657276.db2.gz WWTKNTUKZXUJNB-KRWDZBQOSA-N 2 0 329.375 2.141 10 0 EEAERP CC1(C)OCC[C@H]1[NH2+]Cc1cncc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000583422464 468694292 /nfs/dbraw/zinc/69/42/92/468694292.db2.gz MVVHLDMXPQDYRQ-CALCHBBNSA-N 2 0 333.476 2.396 10 0 EEAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000571174762 468751046 /nfs/dbraw/zinc/75/10/46/468751046.db2.gz VKGUAMTULSHWAB-IPCDKGFNSA-N 2 0 342.487 2.024 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000595061827 468751213 /nfs/dbraw/zinc/75/12/13/468751213.db2.gz NGQNBXMXWXDJPB-KXNSMUHISA-N 2 0 339.549 2.347 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562806014 469077468 /nfs/dbraw/zinc/07/74/68/469077468.db2.gz GSBILGABSJBSIA-NEPXVJNWSA-N 2 0 344.503 2.194 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000615262732 469194935 /nfs/dbraw/zinc/19/49/35/469194935.db2.gz CFLPVSYJMUMBFS-GUDVDZBRSA-N 2 0 345.487 2.001 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000625881502 469423178 /nfs/dbraw/zinc/42/31/78/469423178.db2.gz UONLGSMGRUCVNK-KDURUIRLSA-N 2 0 330.476 2.254 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+]CCCN(C)CC[NH+](C)C)cn1 ZINC000623087304 469545914 /nfs/dbraw/zinc/54/59/14/469545914.db2.gz KAXGXRKNPSTDBN-UHFFFAOYSA-N 2 0 329.492 2.154 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000623633394 469717263 /nfs/dbraw/zinc/71/72/63/469717263.db2.gz NNDAPQXWGNVUQT-AEFFLSMTSA-N 2 0 334.508 2.177 10 0 EEAERP OCCOC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC(F)(F)CC1 ZINC000623638165 469718474 /nfs/dbraw/zinc/71/84/74/469718474.db2.gz XCUNLMNKFIDWAZ-HUUCEWRRSA-N 2 0 332.435 2.160 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000626926724 469757162 /nfs/dbraw/zinc/75/71/62/469757162.db2.gz DAUPOAMLOBNGJK-ZWKOTPCHSA-N 2 0 330.476 2.222 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626940193 469763572 /nfs/dbraw/zinc/76/35/72/469763572.db2.gz UTJVZXZIFIWZBP-OKZBNKHCSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627008870 469788149 /nfs/dbraw/zinc/78/81/49/469788149.db2.gz GJBFHGPCAPHGFG-NVXWUHKLSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@@H](C[NH3+])CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627081777 469809371 /nfs/dbraw/zinc/80/93/71/469809371.db2.gz TXEGRYAAQARRMQ-IINYFYTJSA-N 2 0 347.290 2.490 10 0 EEAERP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000608507930 469830000 /nfs/dbraw/zinc/83/00/00/469830000.db2.gz PGOCCSQGAZHMJF-PMACEKPBSA-N 2 0 333.520 2.143 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197254 469840268 /nfs/dbraw/zinc/84/02/68/469840268.db2.gz YHRXREGNBDEMEM-YOEHRIQHSA-N 2 0 336.455 2.039 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199906 469841232 /nfs/dbraw/zinc/84/12/32/469841232.db2.gz FZGAFFYZFHQITF-KBAYOESNSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627199020 469841754 /nfs/dbraw/zinc/84/17/54/469841754.db2.gz QCENYJKMMYXBLU-AOIWGVFYSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627241047 469854366 /nfs/dbraw/zinc/85/43/66/469854366.db2.gz AFKADLSZDATBHT-MUQADHOPSA-N 2 0 330.476 2.041 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000627242287 469854569 /nfs/dbraw/zinc/85/45/69/469854569.db2.gz UPQQGUUHZVEJBC-XYJFISCASA-N 2 0 336.524 2.423 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)[C@@H](c2ccccc2)C1 ZINC000627347324 469879648 /nfs/dbraw/zinc/87/96/48/469879648.db2.gz YAOMFDASCXDOPT-MOPGFXCFSA-N 2 0 341.499 2.276 10 0 EEAERP C[C@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000618193997 469918490 /nfs/dbraw/zinc/91/84/90/469918490.db2.gz LYHKYCWAIDOJIC-QGZVFWFLSA-N 2 0 343.515 2.350 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCc2nc[nH]c2C1 ZINC000614376730 469924105 /nfs/dbraw/zinc/92/41/05/469924105.db2.gz KEBIWAMEQYSNQY-ZBFHGGJFSA-N 2 0 330.476 2.428 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000624547627 469974112 /nfs/dbraw/zinc/97/41/12/469974112.db2.gz PBEGJGUFKRYNFJ-GOEBONIOSA-N 2 0 332.492 2.381 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccncc1 ZINC000630880910 470019424 /nfs/dbraw/zinc/01/94/24/470019424.db2.gz WIYZHZIYZZAZNR-AEFFLSMTSA-N 2 0 332.492 2.060 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000631662360 470176941 /nfs/dbraw/zinc/17/69/41/470176941.db2.gz FKWVUIPRLNASLD-NXHRZFHOSA-N 2 0 329.488 2.401 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCC2(O)CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000631701891 470178803 /nfs/dbraw/zinc/17/88/03/470178803.db2.gz QTLQOTGYSWGKMI-QZTJIDSGSA-N 2 0 331.504 2.480 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634701925 470281730 /nfs/dbraw/zinc/28/17/30/470281730.db2.gz YBGNUHIXPXKJKS-NRFANRHFSA-N 2 0 345.531 2.335 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC/C=C\C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641861588 470503387 /nfs/dbraw/zinc/50/33/87/470503387.db2.gz CGONZQHALLUYSQ-ANBQXBGZSA-N 2 0 330.476 2.196 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000633583388 470518661 /nfs/dbraw/zinc/51/86/61/470518661.db2.gz XBWJMEGXKNKZTB-UHFFFAOYSA-N 2 0 326.444 2.359 10 0 EEAERP FC1(F)C[C@]12CC[NH+](CC1(C[N@H+]3CC[C@]4(CC4(F)F)C3)COC1)C2 ZINC000649907645 470740124 /nfs/dbraw/zinc/74/01/24/470740124.db2.gz WUSDTMNDICQENZ-GJZGRUSLSA-N 2 0 348.384 2.465 10 0 EEAERP CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899468 471010392 /nfs/dbraw/zinc/01/03/92/471010392.db2.gz LQXAKWRXCBLOTA-WMZOPIPTSA-N 2 0 333.451 2.248 10 0 EEAERP C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899733 471010547 /nfs/dbraw/zinc/01/05/47/471010547.db2.gz UJFVSDSUZQLDIT-KBAYOESNSA-N 2 0 327.472 2.428 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654503022 471043298 /nfs/dbraw/zinc/04/32/98/471043298.db2.gz ZPFIMWLOOKNPFS-FOIPXRHGSA-N 2 0 336.524 2.423 10 0 EEAERP Cn1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000648072037 471077469 /nfs/dbraw/zinc/07/74/69/471077469.db2.gz IHWDFZOYCWVYSY-UHFFFAOYSA-N 2 0 340.471 2.384 10 0 EEAERP COc1cc2c(cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)O[C@@H](C)C2 ZINC000657574208 471173248 /nfs/dbraw/zinc/17/32/48/471173248.db2.gz UAKJWVDVGFXLEV-HOTGVXAUSA-N 2 0 349.519 2.380 10 0 EEAERP COc1cc(C)nc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657596952 471179675 /nfs/dbraw/zinc/17/96/75/471179675.db2.gz PRNSCBASCAGDNW-IBGZPJMESA-N 2 0 341.455 2.255 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652238922 471260784 /nfs/dbraw/zinc/26/07/84/471260784.db2.gz UXUHEWIEVZRLCN-DLBZAZTESA-N 2 0 344.503 2.420 10 0 EEAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070863 471264287 /nfs/dbraw/zinc/26/42/87/471264287.db2.gz SMQKWLKSNYFYGB-LJQANCHMSA-N 2 0 334.508 2.388 10 0 EEAERP CO[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000658075373 471264780 /nfs/dbraw/zinc/26/47/80/471264780.db2.gz XKJSWVXMFPGADZ-SZVBFZGTSA-N 2 0 336.476 2.329 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nc(-c4ccoc4)no3)C2)C1 ZINC000652348936 471276028 /nfs/dbraw/zinc/27/60/28/471276028.db2.gz WKMIRVHNKNECPL-NWANDNLSSA-N 2 0 332.404 2.048 10 0 EEAERP C[N@H+](CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CCCC1 ZINC000659031857 471475038 /nfs/dbraw/zinc/47/50/38/471475038.db2.gz DADNRPLQCQTBRX-SFHVURJKSA-N 2 0 346.475 2.343 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000669432945 471496080 /nfs/dbraw/zinc/49/60/80/471496080.db2.gz JYOKRDQQCMCJRX-UHFFFAOYSA-N 2 0 330.476 2.211 10 0 EEAERP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC000655939141 471551070 /nfs/dbraw/zinc/55/10/70/471551070.db2.gz KLBZFINLYYTYOF-CQSZACIVSA-N 2 0 339.430 2.217 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CC[NH2+]C1 ZINC000659381330 471598663 /nfs/dbraw/zinc/59/86/63/471598663.db2.gz JXWLLYPTFYCCRQ-ROUUACIJSA-N 2 0 327.472 2.014 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000656153629 471609493 /nfs/dbraw/zinc/60/94/93/471609493.db2.gz YKYCQILTGSPXJY-UAGQMJEPSA-N 2 0 326.868 2.147 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659434541 471625993 /nfs/dbraw/zinc/62/59/93/471625993.db2.gz YWTNURHLXLXREZ-IAGOWNOFSA-N 2 0 336.455 2.109 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659489995 471652742 /nfs/dbraw/zinc/65/27/42/471652742.db2.gz MFKPTUMESMYUIA-ZWKOTPCHSA-N 2 0 332.492 2.181 10 0 EEAERP [NH3+]C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCCC1 ZINC000659516353 471663534 /nfs/dbraw/zinc/66/35/34/471663534.db2.gz GFBGVJWMIIRYOM-CEXWTWQISA-N 2 0 344.503 2.339 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000659620950 471702026 /nfs/dbraw/zinc/70/20/26/471702026.db2.gz RDTNKZNWWXUYQG-DOTOQJQBSA-N 2 0 347.507 2.482 10 0 EEAERP OC1([C@@H]2CCCC[NH+]2C/C=C\C[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708162 471814788 /nfs/dbraw/zinc/81/47/88/471814788.db2.gz UQAWPUILNDJZNR-SLXDBMQSSA-N 2 0 334.504 2.301 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667756577 471894312 /nfs/dbraw/zinc/89/43/12/471894312.db2.gz ZOBKEEOHVOVHAY-ICSRJNTNSA-N 2 0 330.472 2.300 10 0 EEAERP CN(C)c1ncccc1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660338968 471950366 /nfs/dbraw/zinc/95/03/66/471950366.db2.gz FTZXKFODIYTIOS-UHFFFAOYSA-N 2 0 345.491 2.069 10 0 EEAERP C[C@@H](CC[NH+]1CC[C@@H]2COC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030273 471963418 /nfs/dbraw/zinc/96/34/18/471963418.db2.gz MWWQQHDQUQELOG-WAPOTWQKSA-N 2 0 336.520 2.339 10 0 EEAERP CCN(C(=O)NCCc1cn2c(cccc2C)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000665217020 471971673 /nfs/dbraw/zinc/97/16/73/471971673.db2.gz VUSMIUQWQYOMHN-QGZVFWFLSA-N 2 0 343.475 2.311 10 0 EEAERP Clc1ccc(C2([NH2+]C[C@@H]3CCC4(C[NH2+]C4)O3)CCOCC2)cc1 ZINC000662257096 472046547 /nfs/dbraw/zinc/04/65/47/472046547.db2.gz AHLDICVNTGRAGN-INIZCTEOSA-N 2 0 336.863 2.456 10 0 EEAERP CC[NH+](CC)CCN(Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258852 472046833 /nfs/dbraw/zinc/04/68/33/472046833.db2.gz MNIVUKXTOMAFFH-MRXNPFEDSA-N 2 0 337.533 2.413 10 0 EEAERP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280338 472054111 /nfs/dbraw/zinc/05/41/11/472054111.db2.gz OBFXKAUIKMLMSO-HZPDHXFCSA-N 2 0 326.444 2.022 10 0 EEAERP CN(C(=O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662326003 472072347 /nfs/dbraw/zinc/07/23/47/472072347.db2.gz SUEUBIHULZZPBL-GOSISDBHSA-N 2 0 333.476 2.082 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000662570668 472157220 /nfs/dbraw/zinc/15/72/20/472157220.db2.gz HTLCVAWXENLOLB-MRXNPFEDSA-N 2 0 342.443 2.352 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000662660495 472193220 /nfs/dbraw/zinc/19/32/20/472193220.db2.gz FKGZNIRQSQHJSW-VAMGGRTRSA-N 2 0 341.499 2.292 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1 ZINC000662867965 472283732 /nfs/dbraw/zinc/28/37/32/472283732.db2.gz SWEMZZGYYIGTQH-SNRMKQJTSA-N 2 0 347.503 2.268 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000662868331 472283848 /nfs/dbraw/zinc/28/38/48/472283848.db2.gz CUXJAZWFBSBIMH-WDSOQIARSA-N 2 0 345.487 2.179 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673861732 485559613 /nfs/dbraw/zinc/55/96/13/485559613.db2.gz LXTHHHOXIKXUJK-UHFFFAOYSA-N 2 0 328.420 2.215 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000674285278 485681882 /nfs/dbraw/zinc/68/18/82/485681882.db2.gz WSUWUIYZKQJPIM-HNNXBMFYSA-N 2 0 342.447 2.463 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000629570020 485732908 /nfs/dbraw/zinc/73/29/08/485732908.db2.gz SJMMLKIXIGIECX-UHFFFAOYSA-N 2 0 328.840 2.169 10 0 EEAERP C[N@H+](CCOc1cccc(C[NH2+]C2CSC2)c1)C1CCOCC1 ZINC000679625668 485753331 /nfs/dbraw/zinc/75/33/31/485753331.db2.gz JXLWQVXIIXPCEE-UHFFFAOYSA-N 2 0 336.501 2.381 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000675199812 485928115 /nfs/dbraw/zinc/92/81/15/485928115.db2.gz NNIXYYQDVGDZLK-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000678343456 486620353 /nfs/dbraw/zinc/62/03/53/486620353.db2.gz IUKLLIYAODCSPF-HKUYNNGSSA-N 2 0 345.487 2.118 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000125348909 490646726 /nfs/dbraw/zinc/64/67/26/490646726.db2.gz FYOMENFONOKKAU-UHFFFAOYSA-N 2 0 345.491 2.034 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3CCC([NH3+])CC3)cc2)CC1 ZINC000161454627 678745867 /nfs/dbraw/zinc/74/58/67/678745867.db2.gz MLEGQASZRYPXHH-UHFFFAOYSA-N 2 0 344.503 2.170 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000924938609 681740382 /nfs/dbraw/zinc/74/03/82/681740382.db2.gz MOHJUZOJMFSUMJ-CBQMWWCCSA-N 2 0 327.516 2.481 10 0 EEAERP C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCCCC1 ZINC000914293998 683464929 /nfs/dbraw/zinc/46/49/29/683464929.db2.gz SNWULXFCUMODCW-WMZOPIPTSA-N 2 0 347.507 2.248 10 0 EEAERP C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897337951 687144184 /nfs/dbraw/zinc/14/41/84/687144184.db2.gz HZVSYMJGKNCGKF-LMNJBCLMSA-N 2 0 341.499 2.499 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001485706338 1191899667 /nfs/dbraw/zinc/89/96/67/1191899667.db2.gz FBRSYFRPRUXNHT-RUCARUNLSA-N 2 0 345.487 2.041 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001266656437 1177067267 /nfs/dbraw/zinc/06/72/67/1177067267.db2.gz VHKYIEVHWXYXDI-ALOPSCKCSA-N 2 0 325.472 2.334 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266758734 1177365619 /nfs/dbraw/zinc/36/56/19/1177365619.db2.gz ZEBNHUGQZLEABI-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)ccc1C ZINC001266759778 1177367728 /nfs/dbraw/zinc/36/77/28/1177367728.db2.gz HINURXPNIVSMIG-UHFFFAOYSA-N 2 0 345.487 2.180 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccc(Cl)nc1)[NH+](C)C ZINC001691105606 1177584969 /nfs/dbraw/zinc/58/49/69/1177584969.db2.gz GVAFCVVIAMJRIX-CABCVRRESA-N 2 0 338.883 2.156 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001691158663 1177654290 /nfs/dbraw/zinc/65/42/90/1177654290.db2.gz JEYVQYHGSOSWCR-BHIYHBOVSA-N 2 0 347.478 2.337 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2ccns2)CC1 ZINC001266915671 1177792712 /nfs/dbraw/zinc/79/27/12/1177792712.db2.gz CALFAZMEINZKSU-UHFFFAOYSA-N 2 0 338.521 2.392 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267083980 1178207593 /nfs/dbraw/zinc/20/75/93/1178207593.db2.gz DZSNVPGZLZCMMO-QZTJIDSGSA-N 2 0 347.503 2.068 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)c(C)n1 ZINC001480922705 1178438957 /nfs/dbraw/zinc/43/89/57/1178438957.db2.gz DTGTUGUFRJDAAF-OALUTQOASA-N 2 0 344.503 2.263 10 0 EEAERP CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(Cl)s1 ZINC001480934731 1178835032 /nfs/dbraw/zinc/83/50/32/1178835032.db2.gz FIWBMUXFBWRSOX-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1C ZINC001267385844 1178945801 /nfs/dbraw/zinc/94/58/01/1178945801.db2.gz KBSTXWVVQYOEHP-IAGOWNOFSA-N 2 0 326.444 2.378 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267390754 1178956345 /nfs/dbraw/zinc/95/63/45/1178956345.db2.gz UOIWVQVOMZTCAU-IEBWSBKVSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CC[C@H]2CCCCO2)ccc2c[nH+]cn21 ZINC001267393765 1178963982 /nfs/dbraw/zinc/96/39/82/1178963982.db2.gz RVEYZUZMQKEYQP-QGZVFWFLSA-N 2 0 344.459 2.264 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456253 1179038042 /nfs/dbraw/zinc/03/80/42/1179038042.db2.gz RALMXAJJHZMUJO-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H]1CCC(F)(F)C1 ZINC001493325387 1179094839 /nfs/dbraw/zinc/09/48/39/1179094839.db2.gz OPGXRUNLUSPEDE-HNNXBMFYSA-N 2 0 343.462 2.346 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccn(C)n1 ZINC001267500652 1179190532 /nfs/dbraw/zinc/19/05/32/1179190532.db2.gz BSEXTPAFCFHHGJ-GOSISDBHSA-N 2 0 349.523 2.010 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001481093273 1179723097 /nfs/dbraw/zinc/72/30/97/1179723097.db2.gz WUACYAHLEUMEKX-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cccc(CCC[N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001481110177 1179761251 /nfs/dbraw/zinc/76/12/51/1179761251.db2.gz ZQNXWSFUHRIBKZ-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)CCC[NH+](C)C ZINC001481273517 1180606252 /nfs/dbraw/zinc/60/62/52/1180606252.db2.gz VEUNGJBRMLTLIJ-QGZVFWFLSA-N 2 0 331.504 2.181 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001481286886 1180864553 /nfs/dbraw/zinc/86/45/53/1180864553.db2.gz QCIWBMXSJIIWKZ-HNNXBMFYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001481317640 1181017021 /nfs/dbraw/zinc/01/70/21/1181017021.db2.gz JFUNGQSJHIXGDC-QZTJIDSGSA-N 2 0 331.504 2.458 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccsc1 ZINC001481383405 1181167892 /nfs/dbraw/zinc/16/78/92/1181167892.db2.gz DNAGQZLBTWTPDF-CALCHBBNSA-N 2 0 335.517 2.308 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481446855 1181371228 /nfs/dbraw/zinc/37/12/28/1181371228.db2.gz KNNHAOHTXLSFCJ-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001481457159 1181408789 /nfs/dbraw/zinc/40/87/89/1181408789.db2.gz KVMBOOUWOSEOLY-SJORKVTESA-N 2 0 349.544 2.461 10 0 EEAERP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481466062 1181483453 /nfs/dbraw/zinc/48/34/53/1181483453.db2.gz WKZKANMKHMRNPC-CVEARBPZSA-N 2 0 348.491 2.078 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)C[C@@H]2CCCCO2)CC1 ZINC001481521375 1181638444 /nfs/dbraw/zinc/63/84/44/1181638444.db2.gz BNUKVMQQXQHFJX-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001481528331 1181652150 /nfs/dbraw/zinc/65/21/50/1181652150.db2.gz HKVJAJKGAQZTML-DOTOQJQBSA-N 2 0 333.476 2.289 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001268084458 1181701023 /nfs/dbraw/zinc/70/10/23/1181701023.db2.gz NDBGJBOQHFWBOY-CYBMUJFWSA-N 2 0 343.874 2.410 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001670784094 1181751611 /nfs/dbraw/zinc/75/16/11/1181751611.db2.gz FCKOODMEFPXTMI-OAHLLOKOSA-N 2 0 325.472 2.239 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccn2)C1 ZINC001268164647 1181890234 /nfs/dbraw/zinc/89/02/34/1181890234.db2.gz YEDDABWHWLFZJM-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001268165997 1181901032 /nfs/dbraw/zinc/90/10/32/1181901032.db2.gz JTNFYYJQMCNUBT-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001481644289 1182042430 /nfs/dbraw/zinc/04/24/30/1182042430.db2.gz FMCYFAMKZROKSS-GDBMZVCRSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC[C@H]2CCOC2)CC1 ZINC001268415845 1182574815 /nfs/dbraw/zinc/57/48/15/1182574815.db2.gz PQSSKVTUMRUFOH-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001481870577 1182829959 /nfs/dbraw/zinc/82/99/59/1182829959.db2.gz SFXPLFWQWCJTHW-GXTWGEPZSA-N 2 0 326.872 2.060 10 0 EEAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCCCCF)CCCC2)CC1 ZINC001481906360 1182923557 /nfs/dbraw/zinc/92/35/57/1182923557.db2.gz ZAJXAHHZKJDFQA-UHFFFAOYSA-N 2 0 327.488 2.487 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001268628785 1183552319 /nfs/dbraw/zinc/55/23/19/1183552319.db2.gz PYUBZYBNNDUESH-PSUYNTKASA-N 2 0 345.487 2.330 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1)[NH+]1CCCC1 ZINC001268716919 1183637072 /nfs/dbraw/zinc/63/70/72/1183637072.db2.gz NDHGXNBEWCWTID-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001268768527 1183686164 /nfs/dbraw/zinc/68/61/64/1183686164.db2.gz YKYBZRZUTXKJFE-GFKCUXFZSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001268846956 1183763287 /nfs/dbraw/zinc/76/32/87/1183763287.db2.gz BEQHFRNOFNYROX-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCCC(C)C)C1 ZINC001269096813 1183958880 /nfs/dbraw/zinc/95/88/80/1183958880.db2.gz CCISCGRRSDPTPU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001269653059 1184481748 /nfs/dbraw/zinc/48/17/48/1184481748.db2.gz UQURJGPTPNXEIS-XHDPSFHLSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)no1 ZINC001269765813 1184603295 /nfs/dbraw/zinc/60/32/95/1184603295.db2.gz LLISLZNAZBHYSG-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001269981727 1184758571 /nfs/dbraw/zinc/75/85/71/1184758571.db2.gz PTSMYKUTOHQFSI-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C[C@H]1C ZINC001269982275 1184759739 /nfs/dbraw/zinc/75/97/39/1184759739.db2.gz VHXIKQCTZHRWBY-MSOLQXFVSA-N 2 0 347.503 2.376 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001270051352 1184813086 /nfs/dbraw/zinc/81/30/86/1184813086.db2.gz VIFOUFDZBACCEF-SJLPKXTDSA-N 2 0 337.508 2.009 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001270082553 1184834434 /nfs/dbraw/zinc/83/44/34/1184834434.db2.gz YVAITWGTJDOGQQ-MSOLQXFVSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001270263179 1184968123 /nfs/dbraw/zinc/96/81/23/1184968123.db2.gz FTBFGWWYLVXYRX-FUHWJXTLSA-N 2 0 347.478 2.291 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001482288374 1185089486 /nfs/dbraw/zinc/08/94/86/1185089486.db2.gz KRDOSQNNNKISES-JCGIZDLHSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482339022 1185437072 /nfs/dbraw/zinc/43/70/72/1185437072.db2.gz MCZJAQVAMBNNTL-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482399336 1185616612 /nfs/dbraw/zinc/61/66/12/1185616612.db2.gz YIHTVLXCTNSYDA-CHWSQXEVSA-N 2 0 336.307 2.378 10 0 EEAERP C[C@H]([NH2+]CCCCCF)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482485513 1186206778 /nfs/dbraw/zinc/20/67/78/1186206778.db2.gz VJRODWXTQGPSLZ-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001482563056 1186841765 /nfs/dbraw/zinc/84/17/65/1186841765.db2.gz FECCOMKWCFRAJG-KRWDZBQOSA-N 2 0 341.540 2.264 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482662147 1187505996 /nfs/dbraw/zinc/50/59/96/1187505996.db2.gz IYIQSTJIAQJSLZ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482815918 1187748410 /nfs/dbraw/zinc/74/84/10/1187748410.db2.gz BRDTYSYAWFAPCH-APWZRJJASA-N 2 0 331.504 2.370 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482815920 1187748733 /nfs/dbraw/zinc/74/87/33/1187748733.db2.gz BRDTYSYAWFAPCH-QFBILLFUSA-N 2 0 331.504 2.370 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832076 1187752499 /nfs/dbraw/zinc/75/24/99/1187752499.db2.gz UCERKFIJTDSICB-SJLPKXTDSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691538078 1187786424 /nfs/dbraw/zinc/78/64/24/1187786424.db2.gz BPIASGKLNFNSHU-UHFFFAOYSA-N 2 0 332.492 2.058 10 0 EEAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482955745 1187882870 /nfs/dbraw/zinc/88/28/70/1187882870.db2.gz SNNAVPWRYWEWAW-HNNXBMFYSA-N 2 0 336.480 2.186 10 0 EEAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482969688 1187909660 /nfs/dbraw/zinc/90/96/60/1187909660.db2.gz IKJDHHYFLMAVDQ-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001482991388 1187969372 /nfs/dbraw/zinc/96/93/72/1187969372.db2.gz QFVWHMXCTLSDFL-YPQKKHBXSA-N 2 0 339.842 2.335 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001483019094 1188006574 /nfs/dbraw/zinc/00/65/74/1188006574.db2.gz VCYXQVLFJVPCEY-RDFMZFSFSA-N 2 0 329.435 2.168 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001670969112 1193535526 /nfs/dbraw/zinc/53/55/26/1193535526.db2.gz JQTKYBGJHNPCNW-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC001483093331 1188461721 /nfs/dbraw/zinc/46/17/21/1188461721.db2.gz PHIQXNMWEKPKFH-BAABZTOOSA-N 2 0 337.414 2.384 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnc(Cl)s1 ZINC001483127281 1188594029 /nfs/dbraw/zinc/59/40/29/1188594029.db2.gz NQVIHIVMYDHDOG-DGCLKSJQSA-N 2 0 344.912 2.264 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483140861 1188701371 /nfs/dbraw/zinc/70/13/71/1188701371.db2.gz QDOUJRHKKSJWMT-QGZVFWFLSA-N 2 0 345.487 2.036 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483152841 1188904631 /nfs/dbraw/zinc/90/46/31/1188904631.db2.gz DDOBTUHNMFXVAK-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001409414301 1189645361 /nfs/dbraw/zinc/64/53/61/1189645361.db2.gz RXQVGSMODMSJHW-HUUCEWRRSA-N 2 0 348.491 2.267 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409437659 1189676190 /nfs/dbraw/zinc/67/61/90/1189676190.db2.gz ACFXRVSOFBDZNZ-HZPDHXFCSA-N 2 0 333.476 2.082 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000905659026 1189830141 /nfs/dbraw/zinc/83/01/41/1189830141.db2.gz ACDCDELHFPZFRE-DLBZAZTESA-N 2 0 349.548 2.023 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485955685 1193648168 /nfs/dbraw/zinc/64/81/68/1193648168.db2.gz PKODUWACUOPKRE-INIZCTEOSA-N 2 0 329.488 2.208 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001485944303 1193653946 /nfs/dbraw/zinc/65/39/46/1193653946.db2.gz MDGVZSCYQLATFL-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001409668473 1190167905 /nfs/dbraw/zinc/16/79/05/1190167905.db2.gz UWLNPDHTGVRLRN-HUUCEWRRSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448888 1190483624 /nfs/dbraw/zinc/48/36/24/1190483624.db2.gz YIVFJFPHKRSBQW-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456441 1190485000 /nfs/dbraw/zinc/48/50/00/1190485000.db2.gz WINZBZWBZNANNW-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC001483496129 1190512441 /nfs/dbraw/zinc/51/24/41/1190512441.db2.gz RRGQEJQZWUSVLM-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC001483606224 1190584468 /nfs/dbraw/zinc/58/44/68/1190584468.db2.gz BSTQWNZTBXLXGU-KRWDZBQOSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)CN1C(=O)CC[NH+](C)C ZINC001486120865 1193687481 /nfs/dbraw/zinc/68/74/81/1193687481.db2.gz FZPXYTWVJZBIFK-ZFWWWQNUSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCc2ccsc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486129662 1193689533 /nfs/dbraw/zinc/68/95/33/1193689533.db2.gz NUBOCRNRHULAGG-WBVHZDCISA-N 2 0 347.528 2.356 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1)[NH+](C)C ZINC001272563481 1190879121 /nfs/dbraw/zinc/87/91/21/1190879121.db2.gz CFKYAHAUKZHJTH-YJBOKZPZSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001272623793 1190936085 /nfs/dbraw/zinc/93/60/85/1190936085.db2.gz DDKWUPYZFHQTTF-HOCLYGCPSA-N 2 0 345.478 2.446 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001483781864 1191025772 /nfs/dbraw/zinc/02/57/72/1191025772.db2.gz TYJGKRIQBKMHEW-CQSZACIVSA-N 2 0 331.451 2.392 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845054 1191080429 /nfs/dbraw/zinc/08/04/29/1191080429.db2.gz FTFINJYCZZOARI-RDJZCZTQSA-N 2 0 325.472 2.001 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2F)CCN1C(=O)CC[NH+](C)C ZINC001483908236 1191120342 /nfs/dbraw/zinc/12/03/42/1191120342.db2.gz IUPPBBCHXXCZQA-NVXWUHKLSA-N 2 0 335.467 2.289 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001483944808 1191126675 /nfs/dbraw/zinc/12/66/75/1191126675.db2.gz GMZLTPDSDXUDOS-OALUTQOASA-N 2 0 331.504 2.458 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+](C[C@@H](C)OC)C2)C1 ZINC001484023318 1191160743 /nfs/dbraw/zinc/16/07/43/1191160743.db2.gz ZSVUNXSEVNIJSV-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cc(C)on1)C2 ZINC001484321067 1191303517 /nfs/dbraw/zinc/30/35/17/1191303517.db2.gz BDGZMOLQTSNSCI-JZXOWHBKSA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001484465803 1191370018 /nfs/dbraw/zinc/37/00/18/1191370018.db2.gz PXROCEBERMRREA-MOPGFXCFSA-N 2 0 344.503 2.379 10 0 EEAERP Cc1noc(C)c1C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001484471582 1191376334 /nfs/dbraw/zinc/37/63/34/1191376334.db2.gz AJTVOEFDJAESOY-FUHWJXTLSA-N 2 0 348.491 2.054 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCCCF)C[C@H]32)CC1 ZINC001484473575 1191378422 /nfs/dbraw/zinc/37/84/22/1191378422.db2.gz ZMFIAAAKXVZUCK-ZWKOTPCHSA-N 2 0 339.499 2.391 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCOC(C)C)CC2)[NH+](C)C ZINC001484581500 1191426053 /nfs/dbraw/zinc/42/60/53/1191426053.db2.gz KYVUMTUJPRQYTA-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484907391 1191570323 /nfs/dbraw/zinc/57/03/23/1191570323.db2.gz VOGRNBVQCQMBBE-HKUYNNGSSA-N 2 0 341.499 2.152 10 0 EEAERP CC(C)n1ccc(CN2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001484988061 1191604118 /nfs/dbraw/zinc/60/41/18/1191604118.db2.gz OLNNOOBZOFJIMH-IAGOWNOFSA-N 2 0 349.523 2.273 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147776 1191665522 /nfs/dbraw/zinc/66/55/22/1191665522.db2.gz QOTVCYKEGPGSLO-HUUCEWRRSA-N 2 0 347.507 2.032 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001485229441 1191698675 /nfs/dbraw/zinc/69/86/75/1191698675.db2.gz YLCOPEXINBYCAN-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP CCOCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001485243530 1191707088 /nfs/dbraw/zinc/70/70/88/1191707088.db2.gz WIZHJTSTIWOOLJ-DAWZGUTISA-N 2 0 339.524 2.257 10 0 EEAERP CCc1nocc1CN(C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485301268 1191726401 /nfs/dbraw/zinc/72/64/01/1191726401.db2.gz VDZMHAQWWVDYLC-RHSMWYFYSA-N 2 0 336.480 2.046 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(C2CC2)cc1 ZINC001485384793 1191769191 /nfs/dbraw/zinc/76/91/91/1191769191.db2.gz ZCXICIYXVPMBNM-HNAYVOBHSA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(C2CC2)cc1 ZINC001485384794 1191769330 /nfs/dbraw/zinc/76/93/30/1191769330.db2.gz ZCXICIYXVPMBNM-KXBFYZLASA-N 2 0 329.488 2.452 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cc(C)no1)CC2 ZINC001486159688 1193706254 /nfs/dbraw/zinc/70/62/54/1193706254.db2.gz JLVHPUPGDGFLGX-MJGOQNOKSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cc3)C(C)(C)C2)CC1 ZINC001486241670 1193767686 /nfs/dbraw/zinc/76/76/86/1193767686.db2.gz YIIIILNZBYTPKS-KRWDZBQOSA-N 2 0 347.478 2.494 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001409950051 1194125654 /nfs/dbraw/zinc/12/56/54/1194125654.db2.gz SZDGYMXYGXLQQS-HNNXBMFYSA-N 2 0 329.488 2.452 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001410114624 1197554582 /nfs/dbraw/zinc/55/45/82/1197554582.db2.gz HEMSJAJGFFHZTG-YSTOQKLRSA-N 2 0 341.499 2.310 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(C3CC3)no2)C1)[NH+](C)C ZINC001410221453 1197614002 /nfs/dbraw/zinc/61/40/02/1197614002.db2.gz SDPHQKTVSSKNMT-DDUZABMNSA-N 2 0 348.491 2.123 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001410334693 1197722809 /nfs/dbraw/zinc/72/28/09/1197722809.db2.gz UDIVYWOJDNPDAT-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC001410395742 1197797892 /nfs/dbraw/zinc/79/78/92/1197797892.db2.gz PFRLNDSDJPVYTC-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871674156 1197824666 /nfs/dbraw/zinc/82/46/66/1197824666.db2.gz SQZQULAFZCTEDE-JSGCOSHPSA-N 2 0 344.381 2.349 10 0 EEAERP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000872032472 1198032028 /nfs/dbraw/zinc/03/20/28/1198032028.db2.gz UULWYSWXECNZTF-MOPGFXCFSA-N 2 0 347.503 2.273 10 0 EEAERP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155129 1198061524 /nfs/dbraw/zinc/06/15/24/1198061524.db2.gz LRVNSMCWQIGZBT-AWEZNQCLSA-N 2 0 334.464 2.423 10 0 EEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865070600 1198073567 /nfs/dbraw/zinc/07/35/67/1198073567.db2.gz VKJAQLWMIFDUMI-XGXHKWSGSA-N 2 0 342.487 2.002 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872283476 1198127475 /nfs/dbraw/zinc/12/74/75/1198127475.db2.gz FIMQXELWTJXVAQ-UOIMNJRYSA-N 2 0 341.499 2.387 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865413253 1198203995 /nfs/dbraw/zinc/20/39/95/1198203995.db2.gz AXBSUOQEIWLFNH-UHFFFAOYSA-N 2 0 328.863 2.381 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865616902 1198299559 /nfs/dbraw/zinc/29/95/59/1198299559.db2.gz MBMLXPTUUALQNN-RWMBFGLXSA-N 2 0 335.439 2.465 10 0 EEAERP CN(C)c1ncc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)n1C ZINC000865775637 1198371535 /nfs/dbraw/zinc/37/15/35/1198371535.db2.gz ZTVJYSKJPGHJMU-UHFFFAOYSA-N 2 0 341.503 2.239 10 0 EEAERP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CO2 ZINC000873223144 1198534582 /nfs/dbraw/zinc/53/45/82/1198534582.db2.gz KSDSNFQENJUWIC-NWDGAFQWSA-N 2 0 325.250 2.484 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCOC1CCC1)CC2 ZINC001410890471 1198543997 /nfs/dbraw/zinc/54/39/97/1198543997.db2.gz BTMHVISGMQQXAT-PKOBYXMFSA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)C1([NH+](C)C)CCC1 ZINC001273418643 1198755405 /nfs/dbraw/zinc/75/54/05/1198755405.db2.gz CEYQQFNVMIVYMT-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001411252526 1198976608 /nfs/dbraw/zinc/97/66/08/1198976608.db2.gz NNBJZSSRKJLZLU-OSCGVQSNSA-N 2 0 327.472 2.231 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC/C=C/c2ccccc2)C[C@H]1C[NH+](C)C ZINC000875277710 1199195615 /nfs/dbraw/zinc/19/56/15/1199195615.db2.gz KPIZFADMNCCDDC-AXJDHONKSA-N 2 0 344.503 2.081 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2C(C)(C)C2(C)C)C[C@H]1C[NH+](C)C ZINC000875552709 1199294071 /nfs/dbraw/zinc/29/40/71/1199294071.db2.gz SOPIRJNWLNQBKE-HUUCEWRRSA-N 2 0 338.540 2.049 10 0 EEAERP C[NH+](C)C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870852294 1200910658 /nfs/dbraw/zinc/91/06/58/1200910658.db2.gz CAAMLKAYWGXSGM-CQSZACIVSA-N 2 0 340.265 2.002 10 0 EEAERP Cc1ccccc1COC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590967 1201639753 /nfs/dbraw/zinc/63/97/53/1201639753.db2.gz VDGQAOLUPKQGAY-QZTJIDSGSA-N 2 0 333.476 2.303 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1c2ccccc2CN1C ZINC000868234291 1201772205 /nfs/dbraw/zinc/77/22/05/1201772205.db2.gz MHFVRAHNANDWQR-AEFFLSMTSA-N 2 0 330.476 2.347 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]2c3ccccc3CN2C)C[N@@H+]1C1CC1 ZINC000868382873 1201803497 /nfs/dbraw/zinc/80/34/97/1201803497.db2.gz NFTWKUBNCSUCID-XUWXXGDYSA-N 2 0 328.460 2.098 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000882392605 1201864674 /nfs/dbraw/zinc/86/46/74/1201864674.db2.gz OBJSOABBKRIYNQ-ROUUACIJSA-N 2 0 328.460 2.004 10 0 EEAERP CCC[C@@H](C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000883877434 1202163435 /nfs/dbraw/zinc/16/34/35/1202163435.db2.gz MJWFFIZKHAVHNI-BRWVUGGUSA-N 2 0 326.529 2.194 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368590 1205011885 /nfs/dbraw/zinc/01/18/85/1205011885.db2.gz MXALEWXFNZCMNI-JNXQLMTMSA-N 2 0 333.451 2.491 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]C[C@H]2CCCCO2)cc1 ZINC001274439269 1205038109 /nfs/dbraw/zinc/03/81/09/1205038109.db2.gz RQTNDJKUDXHXTN-PHWHVTFISA-N 2 0 345.487 2.193 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001274752655 1205153218 /nfs/dbraw/zinc/15/32/18/1205153218.db2.gz GMYADCQGLPJXTI-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001274753338 1205153627 /nfs/dbraw/zinc/15/36/27/1205153627.db2.gz PXDDUKOUGYJCNU-QGZVFWFLSA-N 2 0 347.503 2.424 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001275003955 1205232073 /nfs/dbraw/zinc/23/20/73/1205232073.db2.gz HFERLKMUXZRXSM-LADOHOGBSA-N 2 0 333.879 2.390 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001275173432 1205274118 /nfs/dbraw/zinc/27/41/18/1205274118.db2.gz FOTCDJGRWUZJQG-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001411887699 1205580576 /nfs/dbraw/zinc/58/05/76/1205580576.db2.gz QJPKLMOZYLRHNE-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001411892091 1205583039 /nfs/dbraw/zinc/58/30/39/1205583039.db2.gz VZVKSTHTXDJAGM-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ns1 ZINC001276033844 1205643233 /nfs/dbraw/zinc/64/32/33/1205643233.db2.gz HVLIYVHMGKGWBA-INIZCTEOSA-N 2 0 338.521 2.264 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001276170404 1205812041 /nfs/dbraw/zinc/81/20/41/1205812041.db2.gz DWOQHTBBERIQMA-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001276271417 1205863151 /nfs/dbraw/zinc/86/31/51/1205863151.db2.gz GOAFRARNQSVUDY-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924694882 1206020091 /nfs/dbraw/zinc/02/00/91/1206020091.db2.gz OLUUHIHECOKMRL-KRWDZBQOSA-N 2 0 333.520 2.321 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924965597 1206056148 /nfs/dbraw/zinc/05/61/48/1206056148.db2.gz YFMAXMGYWFCMAU-JTDSTZFVSA-N 2 0 346.494 2.322 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccnn1CC1CCC1 ZINC000925217413 1206084353 /nfs/dbraw/zinc/08/43/53/1206084353.db2.gz YSKIARQXPATTRX-MRXNPFEDSA-N 2 0 333.524 2.360 10 0 EEAERP C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000925499637 1206120083 /nfs/dbraw/zinc/12/00/83/1206120083.db2.gz RPRDCBIMLXSADP-OALUTQOASA-N 2 0 335.536 2.389 10 0 EEAERP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925566624 1206129144 /nfs/dbraw/zinc/12/91/44/1206129144.db2.gz DXVWFQMWBBQQIQ-FPAYPSAMSA-N 2 0 332.488 2.409 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCN2c3ccccc3OCC2=O)C1 ZINC000925577013 1206130930 /nfs/dbraw/zinc/13/09/30/1206130930.db2.gz ZNHDSKWNFZIQAP-LSDHHAIUSA-N 2 0 331.460 2.298 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925659079 1206141002 /nfs/dbraw/zinc/14/10/02/1206141002.db2.gz AQVCYDXNCWHOET-MELADBBJSA-N 2 0 325.250 2.342 10 0 EEAERP CC1(C)[C@@H]([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925673580 1206142553 /nfs/dbraw/zinc/14/25/53/1206142553.db2.gz ZEXDMSKCHFHVAG-YVSFHVDLSA-N 2 0 334.508 2.033 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cn1 ZINC000925807610 1206156136 /nfs/dbraw/zinc/15/61/36/1206156136.db2.gz FYZSEHUSTWDIRP-OAHLLOKOSA-N 2 0 328.435 2.477 10 0 EEAERP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC000925812940 1206156889 /nfs/dbraw/zinc/15/68/89/1206156889.db2.gz DKJPLULVVXSEFP-WOJBJXKFSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ncc(Br)cc1F ZINC000925812308 1206156913 /nfs/dbraw/zinc/15/69/13/1206156913.db2.gz ODWULPUFWCVUBR-SNVBAGLBSA-N 2 0 345.260 2.057 10 0 EEAERP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816980 1206157245 /nfs/dbraw/zinc/15/72/45/1206157245.db2.gz KLWDSFPTDUXFJA-UXHICEINSA-N 2 0 331.504 2.387 10 0 EEAERP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925850512 1206160583 /nfs/dbraw/zinc/16/05/83/1206160583.db2.gz BQRJELDWEAQUSQ-CRAIPNDOSA-N 2 0 346.471 2.291 10 0 EEAERP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854360 1206161486 /nfs/dbraw/zinc/16/14/86/1206161486.db2.gz RKMOKNIDDSEBQR-CHWSQXEVSA-N 2 0 349.500 2.358 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000926030594 1206183480 /nfs/dbraw/zinc/18/34/80/1206183480.db2.gz GQZBLODGPIIEMO-HZPDHXFCSA-N 2 0 348.491 2.384 10 0 EEAERP C[NH2+]CCN(C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)C(C)C ZINC000926040545 1206184988 /nfs/dbraw/zinc/18/49/88/1206184988.db2.gz MQLAGZGEIGFKBF-UHFFFAOYSA-N 2 0 336.480 2.397 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1 ZINC000928085273 1206337564 /nfs/dbraw/zinc/33/75/64/1206337564.db2.gz HJAWZEMFPOPBBE-KZNAEPCWSA-N 2 0 347.528 2.375 10 0 EEAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000931433424 1207379277 /nfs/dbraw/zinc/37/92/77/1207379277.db2.gz BLVCIBCGFRZXIV-YCPHGPKFSA-N 2 0 339.277 2.366 10 0 EEAERP Cc1c[nH]c(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000717950745 1211662398 /nfs/dbraw/zinc/66/23/98/1211662398.db2.gz PJWFWLKILNFLAI-UHFFFAOYSA-N 2 0 328.460 2.225 10 0 EEAERP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000724874474 1230704357 /nfs/dbraw/zinc/70/43/57/1230704357.db2.gz DYWHMHQWYUUHQD-WKWVNEEDSA-N 2 0 330.472 2.433 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C12CC[NH+](CC1)C2 ZINC000900415713 1234333595 /nfs/dbraw/zinc/33/35/95/1234333595.db2.gz VDWINNISVYAPEU-UHFFFAOYSA-N 2 0 335.879 2.326 10 0 EEAERP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC000900538935 1234458307 /nfs/dbraw/zinc/45/83/07/1234458307.db2.gz UWYBCMJBBQNPMQ-HKUYNNGSSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)N1CC[NH+](C)CC1 ZINC000902793363 1238544287 /nfs/dbraw/zinc/54/42/87/1238544287.db2.gz IKIYBZUFRPVYKT-IRXDYDNUSA-N 2 0 327.476 2.159 10 0 EEAERP C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000903217808 1240032459 /nfs/dbraw/zinc/03/24/59/1240032459.db2.gz DRBUPWYKOBQVHJ-HOTGVXAUSA-N 2 0 333.476 2.146 10 0 EEAERP c1ccc2c(c1)[C@H](C[C@H]1COCC[NH2+]1)CN2C[C@@H]1CCCC[NH2+]C1 ZINC000903788277 1241966941 /nfs/dbraw/zinc/96/69/41/1241966941.db2.gz HLVGYOHLVJTSCT-KURKYZTESA-N 2 0 329.488 2.358 10 0 EEAERP COc1ccccc1CC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897854 1242387683 /nfs/dbraw/zinc/38/76/83/1242387683.db2.gz HOTKPZAZWJYFSW-INIZCTEOSA-N 2 0 343.475 2.322 10 0 EEAERP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903927472 1242529353 /nfs/dbraw/zinc/52/93/53/1242529353.db2.gz YKZKOCYPFFYXPR-ZMSDIMECSA-N 2 0 335.496 2.134 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](Cc3ccccn3)CC[C@H]21 ZINC001490979970 1258531714 /nfs/dbraw/zinc/53/17/14/1258531714.db2.gz ARXIGDKBQHOHHQ-IEBWSBKVSA-N 2 0 344.503 2.235 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001491027074 1258594855 /nfs/dbraw/zinc/59/48/55/1258594855.db2.gz VDZBKWRRCSRWDS-NXLQVTRHSA-N 2 0 334.291 2.417 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc(C4CC4)n3)C2)CC1 ZINC001491047429 1258606813 /nfs/dbraw/zinc/60/68/13/1258606813.db2.gz IROCGWGIZNQGDL-OKILXGFUSA-N 2 0 348.516 2.099 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001491079398 1258646265 /nfs/dbraw/zinc/64/62/65/1258646265.db2.gz AAVXHADRFLCPDR-IYBDPMFKSA-N 2 0 346.475 2.165 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491184263 1258748711 /nfs/dbraw/zinc/74/87/11/1258748711.db2.gz JPIAPHQZNUKDGX-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccc(C[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)c(C)n1 ZINC001491361571 1259000568 /nfs/dbraw/zinc/00/05/68/1259000568.db2.gz QOXOCGPLJVCVBX-UHFFFAOYSA-N 2 0 332.492 2.167 10 0 EEAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001491487106 1259137831 /nfs/dbraw/zinc/13/78/31/1259137831.db2.gz UUCBCNCXGWJKIQ-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)NC(=O)OC(C)(C)C ZINC000850282173 1277137278 /nfs/dbraw/zinc/13/72/78/1277137278.db2.gz VFGIJFNYLXXXOR-CYBMUJFWSA-N 2 0 331.420 2.270 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273555020 1279789652 /nfs/dbraw/zinc/78/96/52/1279789652.db2.gz TYIMLHOTBDUFET-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273644657 1282111165 /nfs/dbraw/zinc/11/11/65/1282111165.db2.gz BQJGWRPZCSGRCW-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001277866162 1304973783 /nfs/dbraw/zinc/97/37/83/1304973783.db2.gz QFUDEROLEBCYID-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001489344591 1290528714 /nfs/dbraw/zinc/52/87/14/1290528714.db2.gz RKZUZGABMHOJFH-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)c1 ZINC001490165702 1290992341 /nfs/dbraw/zinc/99/23/41/1290992341.db2.gz WOTJUMPOVBIDSM-CRAIPNDOSA-N 2 0 333.476 2.289 10 0 EEAERP C[C@@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccc(F)cc1 ZINC001490729883 1291709977 /nfs/dbraw/zinc/70/99/77/1291709977.db2.gz YIUFFCARVLFXFL-KDOFPFPSSA-N 2 0 345.462 2.467 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)cc2)CC1 ZINC000852872463 1292223327 /nfs/dbraw/zinc/22/33/27/1292223327.db2.gz NMLQAVJZUUSGIP-UHFFFAOYSA-N 2 0 328.460 2.052 10 0 EEAERP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000854515269 1292826748 /nfs/dbraw/zinc/82/67/48/1292826748.db2.gz RLQQIBAAJJEYBU-KVSKMBFKSA-N 2 0 327.472 2.471 10 0 EEAERP CCn1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cn1 ZINC000856553633 1293565100 /nfs/dbraw/zinc/56/51/00/1293565100.db2.gz MWPABTSBTJHMRV-LJQANCHMSA-N 2 0 343.475 2.403 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H]3CCCC[C@H]3O)C2)ccn1 ZINC000856594308 1293576300 /nfs/dbraw/zinc/57/63/00/1293576300.db2.gz VCWQDPHYGDDZML-GUDVDZBRSA-N 2 0 333.476 2.290 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)cc2)CC1 ZINC000859622961 1294554942 /nfs/dbraw/zinc/55/49/42/1294554942.db2.gz QDVDVTHNYMUZCY-DOTOQJQBSA-N 2 0 345.491 2.091 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000861567837 1295458862 /nfs/dbraw/zinc/45/88/62/1295458862.db2.gz QBHKWDOQXBCGLG-MAUKXSAKSA-N 2 0 336.524 2.471 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116800965 1305919471 /nfs/dbraw/zinc/91/94/71/1305919471.db2.gz NVQVXKHMRPAYOV-QGZVFWFLSA-N 2 0 349.438 2.170 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)CN1C(=O)CCCC[NH+](C)C ZINC001278417328 1310172878 /nfs/dbraw/zinc/17/28/78/1310172878.db2.gz UWZCTKSRHQUHNX-HOCLYGCPSA-N 2 0 348.491 2.363 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001276399772 1314743058 /nfs/dbraw/zinc/74/30/58/1314743058.db2.gz QJEWPDPGCZKALC-UHFFFAOYSA-N 2 0 336.455 2.035 10 0 EEAERP C1C[C@@H]2SCCS[C@@H]2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088178 1315472273 /nfs/dbraw/zinc/47/22/73/1315472273.db2.gz ZGLRJNOOSMZZAP-GADNRMJZSA-N 2 0 341.590 2.172 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841898869 1315633175 /nfs/dbraw/zinc/63/31/75/1315633175.db2.gz PSOQNMXMVMJHGZ-POAQFYNOSA-N 2 0 344.503 2.196 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001278991039 1318944121 /nfs/dbraw/zinc/94/41/21/1318944121.db2.gz XLHPRYPDBCENMI-INIZCTEOSA-N 2 0 341.540 2.406 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001264364730 1322673152 /nfs/dbraw/zinc/67/31/52/1322673152.db2.gz IWYTXCFMPKOBJF-QGZVFWFLSA-N 2 0 344.459 2.216 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCc1ccccc1Cl ZINC001265068902 1322904858 /nfs/dbraw/zinc/90/48/58/1322904858.db2.gz VKJMIEODOQKFJH-INIZCTEOSA-N 2 0 337.895 2.272 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001265224726 1322995181 /nfs/dbraw/zinc/99/51/81/1322995181.db2.gz IYEDBGXICMNHQB-LJQANCHMSA-N 2 0 347.503 2.021 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265428831 1323150649 /nfs/dbraw/zinc/15/06/49/1323150649.db2.gz CPVZRZRTNDBTCW-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)nc1 ZINC001266076458 1323632949 /nfs/dbraw/zinc/63/29/49/1323632949.db2.gz ZZAXMQSQMSFCOH-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001266228158 1323804357 /nfs/dbraw/zinc/80/43/57/1323804357.db2.gz GLYMEYLJPOOCAT-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266242039 1323831541 /nfs/dbraw/zinc/83/15/41/1323831541.db2.gz YIDBZGLIZARKAQ-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CC(F)(F)C2)CC1)[NH+](C)C ZINC001279582485 1323946665 /nfs/dbraw/zinc/94/66/65/1323946665.db2.gz PVUVKHOOSCFAAE-INIZCTEOSA-N 2 0 343.462 2.366 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001280220176 1324120192 /nfs/dbraw/zinc/12/01/92/1324120192.db2.gz VVWVPZBKUFXHFU-BGGTUALNSA-N 2 0 327.900 2.299 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001281518425 1325212592 /nfs/dbraw/zinc/21/25/92/1325212592.db2.gz OKKZNOKADDBBTD-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001282957881 1325853697 /nfs/dbraw/zinc/85/36/97/1325853697.db2.gz JGRYLNWLDRTUFQ-RCCFBDPRSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]CCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001283063442 1325905201 /nfs/dbraw/zinc/90/52/01/1325905201.db2.gz ZUGUIZOQIQJCDX-WKILWMFISA-N 2 0 344.459 2.166 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283545540 1326124173 /nfs/dbraw/zinc/12/41/73/1326124173.db2.gz XPSTXYCXESTUIF-RDJZCZTQSA-N 2 0 327.488 2.293 10 0 EEAERP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]cn3)CCC[C@@H]12 ZINC001284066416 1326389867 /nfs/dbraw/zinc/38/98/67/1326389867.db2.gz GPUJQOPLWXDOBS-KVSKMBFKSA-N 2 0 348.491 2.128 10 0 EEAERP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001284292488 1326491493 /nfs/dbraw/zinc/49/14/93/1326491493.db2.gz TVQDCYKENBMVHE-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284737804 1326689557 /nfs/dbraw/zinc/68/95/57/1326689557.db2.gz NSHGRIAWDRSIOS-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)Cc2cncn2C)CC1 ZINC001284976437 1326805576 /nfs/dbraw/zinc/80/55/76/1326805576.db2.gz HUCXUFBJMXDCFF-MRXNPFEDSA-N 2 0 338.455 2.472 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001491638373 1330193157 /nfs/dbraw/zinc/19/31/57/1330193157.db2.gz NVEMANSRAUMCED-AEFFLSMTSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491685853 1330205670 /nfs/dbraw/zinc/20/56/70/1330205670.db2.gz ZHIIGSWQAIUMID-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001491843624 1330271413 /nfs/dbraw/zinc/27/14/13/1330271413.db2.gz ULBQMOZWNUETTJ-CQSZACIVSA-N 2 0 349.441 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(C)C)n2)C1 ZINC001491849968 1330273751 /nfs/dbraw/zinc/27/37/51/1330273751.db2.gz PYNPLPUEXONLKK-KRWDZBQOSA-N 2 0 346.519 2.485 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001492178942 1331058106 /nfs/dbraw/zinc/05/81/06/1331058106.db2.gz SPLJEHGVMUHEAD-GOSISDBHSA-N 2 0 330.476 2.038 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1CCOCC1 ZINC001316853412 1331469182 /nfs/dbraw/zinc/46/91/82/1331469182.db2.gz FFWXYQZLEACPFF-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CC[C@H]2CCCCO2)CC1 ZINC001316856662 1331507213 /nfs/dbraw/zinc/50/72/13/1331507213.db2.gz UTYAAKXWXHNTDP-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1conc1C ZINC001316903522 1331969567 /nfs/dbraw/zinc/96/95/67/1331969567.db2.gz DKBSVVQYQQPQJL-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cnc(Cl)s1 ZINC001316908880 1331975022 /nfs/dbraw/zinc/97/50/22/1331975022.db2.gz JXVMDLPRYZBVSH-UHFFFAOYSA-N 2 0 344.912 2.221 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316943773 1332006352 /nfs/dbraw/zinc/00/63/52/1332006352.db2.gz MBTRPSZJLFUCQP-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316943774 1332006623 /nfs/dbraw/zinc/00/66/23/1332006623.db2.gz MBTRPSZJLFUCQP-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001316986590 1332030760 /nfs/dbraw/zinc/03/07/60/1332030760.db2.gz QXARQJZUQZXDQN-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(N[C@H]1CC[N@H+](CCCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001316992354 1332034331 /nfs/dbraw/zinc/03/43/31/1332034331.db2.gz OZKNZMCJMBWLJS-IBGZPJMESA-N 2 0 341.499 2.296 10 0 EEAERP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]Cc1ccsc1 ZINC001317252282 1332153737 /nfs/dbraw/zinc/15/37/37/1332153737.db2.gz LZOPEDPRNHIIMX-CYBMUJFWSA-N 2 0 341.440 2.237 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317327101 1332180904 /nfs/dbraw/zinc/18/09/04/1332180904.db2.gz SHFBNBUNGUFRTL-CHWSQXEVSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001317344707 1332188194 /nfs/dbraw/zinc/18/81/94/1332188194.db2.gz UFTINSRGHJQUIK-HZPDHXFCSA-N 2 0 336.480 2.214 10 0 EEAERP O=C(NCc1ccc(CC[NH2+]CCF)cc1)C12CCC[NH+](CCC1)C2 ZINC001317366693 1332197827 /nfs/dbraw/zinc/19/78/27/1332197827.db2.gz PFAAOWADUHGEOJ-UHFFFAOYSA-N 2 0 347.478 2.280 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CCCF ZINC001317407505 1332216723 /nfs/dbraw/zinc/21/67/23/1332216723.db2.gz CXYVIVNGMYFGDK-NXHRZFHOSA-N 2 0 335.467 2.176 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001317435559 1332239700 /nfs/dbraw/zinc/23/97/00/1332239700.db2.gz UCYRZPNEYBROHI-GOSISDBHSA-N 2 0 330.476 2.038 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001317591531 1332313338 /nfs/dbraw/zinc/31/33/38/1332313338.db2.gz IOXPRFFAMDPKNR-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1Cl)[NH+](C)C ZINC001317626047 1332334645 /nfs/dbraw/zinc/33/46/45/1332334645.db2.gz HZMKIBIGHSGNGN-MRXNPFEDSA-N 2 0 325.884 2.474 10 0 EEAERP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001318484374 1332549233 /nfs/dbraw/zinc/54/92/33/1332549233.db2.gz JTSVTFFSEDWZRF-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001318847785 1332610584 /nfs/dbraw/zinc/61/05/84/1332610584.db2.gz ACCGLDHRRINPFB-QZTJIDSGSA-N 2 0 344.503 2.142 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001319124145 1332652564 /nfs/dbraw/zinc/65/25/64/1332652564.db2.gz CXMJVCJRXCYRHQ-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CCCOC(C)C)C2)CC1 ZINC001319407724 1332696772 /nfs/dbraw/zinc/69/67/72/1332696772.db2.gz MTIJKKNUIVJUJA-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCF)C1 ZINC001319769171 1332763052 /nfs/dbraw/zinc/76/30/52/1332763052.db2.gz KORBJZYEXXETKR-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001320451588 1332887015 /nfs/dbraw/zinc/88/70/15/1332887015.db2.gz YDGXFJLHZNOYHR-CZUORRHYSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)sc1C ZINC001320549241 1332907654 /nfs/dbraw/zinc/90/76/54/1332907654.db2.gz PMBKNPIYTIEYMV-STQMWFEESA-N 2 0 338.521 2.086 10 0 EEAERP CCN(CC[NH2+]CC=C(C)C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320792029 1332954335 /nfs/dbraw/zinc/95/43/35/1332954335.db2.gz MHXMNJXVZFJRSA-UHFFFAOYSA-N 2 0 327.432 2.285 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320928106 1332980800 /nfs/dbraw/zinc/98/08/00/1332980800.db2.gz GFFPQNSUQCGHDT-HZPDHXFCSA-N 2 0 332.492 2.201 10 0 EEAERP CCc1ccccc1CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320999259 1332994566 /nfs/dbraw/zinc/99/45/66/1332994566.db2.gz UCGABWMARYYHPR-GHOSXJJBSA-N 2 0 329.488 2.148 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321211737 1333046154 /nfs/dbraw/zinc/04/61/54/1333046154.db2.gz QULUGFJYPVLIMY-VGHLEMBNSA-N 2 0 348.491 2.038 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001321522220 1333117583 /nfs/dbraw/zinc/11/75/83/1333117583.db2.gz GNPPORDJOLPVDM-ZHALLVOQSA-N 2 0 331.504 2.362 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001322530506 1333277275 /nfs/dbraw/zinc/27/72/75/1333277275.db2.gz GTRZFSMJHKVZQZ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001322640649 1333299613 /nfs/dbraw/zinc/29/96/13/1333299613.db2.gz KMWGVHUXORCBGO-INIZCTEOSA-N 2 0 347.507 2.159 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324221947 1333637541 /nfs/dbraw/zinc/63/75/41/1333637541.db2.gz OFAXVYLWKBQYNO-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001324796908 1333761703 /nfs/dbraw/zinc/76/17/03/1333761703.db2.gz DQTIXZCQWYZKTD-WMZOPIPTSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001326289007 1334060637 /nfs/dbraw/zinc/06/06/37/1334060637.db2.gz PZCKRLUYWSBSRS-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001326335763 1334070948 /nfs/dbraw/zinc/07/09/48/1334070948.db2.gz WZIJJMBHQGJCME-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001327125329 1334227663 /nfs/dbraw/zinc/22/76/63/1334227663.db2.gz INJXSXZOJPXGJN-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CCC(C)C)CCOCC2)CC[N@@H+]1C ZINC001327635659 1334325603 /nfs/dbraw/zinc/32/56/03/1334325603.db2.gz URFRZQYCCYPJRL-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCC2CCCC2)CCOCC1 ZINC001327671888 1334331623 /nfs/dbraw/zinc/33/16/23/1334331623.db2.gz YBRUJRWLZVARGC-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCOC2CCC2)CC1 ZINC001327995057 1334375567 /nfs/dbraw/zinc/37/55/67/1334375567.db2.gz FTONRSUDMNVTTI-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329173949 1334600898 /nfs/dbraw/zinc/60/08/98/1334600898.db2.gz SZIAQYNKXSKGRO-CHWSQXEVSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001329591881 1334680413 /nfs/dbraw/zinc/68/04/13/1334680413.db2.gz HRQUFBFJOYJPPT-CHWSQXEVSA-N 2 0 348.318 2.103 10 0 EEAERP CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001330549579 1334868955 /nfs/dbraw/zinc/86/89/55/1334868955.db2.gz DUIFSFAQDPADLE-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001330657244 1334883614 /nfs/dbraw/zinc/88/36/14/1334883614.db2.gz XCGKQLKWCZBMLZ-JFIYKMOQSA-N 2 0 347.478 2.194 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001332029290 1335709720 /nfs/dbraw/zinc/70/97/20/1335709720.db2.gz FFPUEYFDGJMOHM-APWZRJJASA-N 2 0 347.503 2.366 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001332209745 1335767428 /nfs/dbraw/zinc/76/74/28/1335767428.db2.gz ZISCIJTXSJICNF-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001332880800 1335923757 /nfs/dbraw/zinc/92/37/57/1335923757.db2.gz CHVCFHXNGBEHIL-GFCCVEGCSA-N 2 0 325.419 2.401 10 0 EEAERP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001333416423 1336039862 /nfs/dbraw/zinc/03/98/62/1336039862.db2.gz HJEPSCLSQSVDFR-IAGOWNOFSA-N 2 0 337.508 2.034 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001433587306 1341633540 /nfs/dbraw/zinc/63/35/40/1341633540.db2.gz AVNAMDSTXIKTMS-IPMKNSEASA-N 2 0 329.488 2.498 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001434669493 1341904463 /nfs/dbraw/zinc/90/44/63/1341904463.db2.gz FQXNFCFLYVGPHC-BPQIPLTHSA-N 2 0 346.523 2.134 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CC(F)(F)C2)CC1 ZINC001440607054 1342077005 /nfs/dbraw/zinc/07/70/05/1342077005.db2.gz WMIWBDJKBCVWHJ-UHFFFAOYSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001496279820 1342098336 /nfs/dbraw/zinc/09/83/36/1342098336.db2.gz PCNIVBXQXKZKAY-DLBZAZTESA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc2sc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)nc2c1 ZINC001497898999 1342099413 /nfs/dbraw/zinc/09/94/13/1342099413.db2.gz IFPIZNGEXKEFRM-CYBMUJFWSA-N 2 0 334.489 2.151 10 0 EEAERP COc1cccc([C@@H](C)[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001500289300 1342136323 /nfs/dbraw/zinc/13/63/23/1342136323.db2.gz HVSKTRXBQJTQGX-OXQOHEQNSA-N 2 0 345.487 2.433 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001500381579 1342184097 /nfs/dbraw/zinc/18/40/97/1342184097.db2.gz ARYFJEFUSUXCFX-QAPCUYQASA-N 2 0 327.488 2.295 10 0 EEAERP CCC[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCOCC1 ZINC001502632131 1342217729 /nfs/dbraw/zinc/21/77/29/1342217729.db2.gz XAPRWRRNMKTQJW-UHFFFAOYSA-N 2 0 339.524 2.306 10 0 EEAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568776584 1342853544 /nfs/dbraw/zinc/85/35/44/1342853544.db2.gz QQMFXNDBKATBOY-MOPGFXCFSA-N 2 0 331.504 2.426 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001570142694 1343015667 /nfs/dbraw/zinc/01/56/67/1343015667.db2.gz RSMPCBNTOKFHRJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001570446005 1343071841 /nfs/dbraw/zinc/07/18/41/1343071841.db2.gz SEFCCDBCMXZOKU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)C[NH+]1CCCC1 ZINC001571324250 1343181725 /nfs/dbraw/zinc/18/17/25/1343181725.db2.gz BGYBTDIQEPDVIH-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC001596190619 1349902814 /nfs/dbraw/zinc/90/28/14/1349902814.db2.gz KEICZMSPMLXFAT-MRXNPFEDSA-N 2 0 332.492 2.385 10 0 EEAERP FC(F)(F)C1(c2nc([C@@H]3C[NH+]4CCC3CC4)no2)CC[NH2+]CC1 ZINC001647413772 1353268750 /nfs/dbraw/zinc/26/87/50/1353268750.db2.gz KBTWKVFSKABKKB-LLVKDONJSA-N 2 0 330.354 2.062 10 0 EEAERP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCO1 ZINC001649457791 1353515881 /nfs/dbraw/zinc/51/58/81/1353515881.db2.gz MMLHSYQTEJZWRE-VGRIIWOTSA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001649470317 1353523515 /nfs/dbraw/zinc/52/35/15/1353523515.db2.gz ISOMUCHZDYPLGL-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251030 1353941807 /nfs/dbraw/zinc/94/18/07/1353941807.db2.gz IDHJJGOXWNCHBX-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001656098443 1354200994 /nfs/dbraw/zinc/20/09/94/1354200994.db2.gz UXKRDCINXIEUIQ-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]Cc1ccns1 ZINC001656446654 1354237825 /nfs/dbraw/zinc/23/78/25/1354237825.db2.gz BVEKFBDBDSSKPZ-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001660321548 1354439421 /nfs/dbraw/zinc/43/94/21/1354439421.db2.gz JRKCHLDAZINPSD-OAHLLOKOSA-N 2 0 336.480 2.186 10 0 EEAERP COCCCCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001660787916 1354538910 /nfs/dbraw/zinc/53/89/10/1354538910.db2.gz VWUYMFZULCXCOI-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001661972757 1354731349 /nfs/dbraw/zinc/73/13/49/1354731349.db2.gz YNCJWNCJINUZBZ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001662733926 1354834553 /nfs/dbraw/zinc/83/45/53/1354834553.db2.gz YFMLOVWUUAHAKV-KQQSKNTNSA-N 2 0 327.900 2.443 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001663071455 1354907373 /nfs/dbraw/zinc/90/73/73/1354907373.db2.gz DAXILBAQVCTKFO-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCCCC(F)(F)F)C1CC1 ZINC001663744553 1355026024 /nfs/dbraw/zinc/02/60/24/1355026024.db2.gz UTHBCIQTOHWWBE-CQSZACIVSA-N 2 0 335.414 2.394 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001664063964 1355085106 /nfs/dbraw/zinc/08/51/06/1355085106.db2.gz NNOCULIATSLLGF-UHFFFAOYSA-N 2 0 335.411 2.129 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001666147272 1355467596 /nfs/dbraw/zinc/46/75/96/1355467596.db2.gz XKYOVFYDHVIFFQ-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001666486738 1355531371 /nfs/dbraw/zinc/53/13/71/1355531371.db2.gz XKTYCNOGFWMBCY-QGZVFWFLSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCOC1CCCCCC1 ZINC001666667280 1355563292 /nfs/dbraw/zinc/56/32/92/1355563292.db2.gz RHOQLHURXZMLFI-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001667998610 1355844651 /nfs/dbraw/zinc/84/46/51/1355844651.db2.gz DGZVGRXXXBPDFG-APWZRJJASA-N 2 0 331.504 2.370 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668059228 1355858621 /nfs/dbraw/zinc/85/86/21/1355858621.db2.gz CEHKSKYTOQRCMQ-JKSUJKDBSA-N 2 0 348.491 2.314 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001668086774 1355866104 /nfs/dbraw/zinc/86/61/04/1355866104.db2.gz JEFCHLFSFZKWKX-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP C[N@H+](CC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21)C1CCC1 ZINC001668865536 1356028920 /nfs/dbraw/zinc/02/89/20/1356028920.db2.gz ZMUDOHYUQVIZDC-HMECNJMJSA-N 2 0 327.472 2.420 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCc1ccsc1 ZINC001668887532 1356035754 /nfs/dbraw/zinc/03/57/54/1356035754.db2.gz MSCQFNRPAQCQKH-CWIOURORSA-N 2 0 335.517 2.427 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2F)CC1 ZINC001669002575 1356066465 /nfs/dbraw/zinc/06/64/65/1356066465.db2.gz ZLWPXMHKDLHSQC-ONEGZZNKSA-N 2 0 337.414 2.069 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001669182294 1356118955 /nfs/dbraw/zinc/11/89/55/1356118955.db2.gz BWIYASWXYJEXBX-RXYHWBRQSA-N 2 0 337.414 2.338 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669292276 1356141503 /nfs/dbraw/zinc/14/15/03/1356141503.db2.gz BJKMUTKLIHRTAR-PBHICJAKSA-N 2 0 349.906 2.319 10 0 EEAERP Cc1cncc(C[NH2+]C[C@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001671805584 1356418769 /nfs/dbraw/zinc/41/87/69/1356418769.db2.gz UTGOKTAAKXRORW-FQEVSTJZSA-N 2 0 346.519 2.450 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001672863121 1356601750 /nfs/dbraw/zinc/60/17/50/1356601750.db2.gz DZVFFCHVQMWEHN-HSWBZUAGSA-N 2 0 336.307 2.474 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001673316885 1356665394 /nfs/dbraw/zinc/66/53/94/1356665394.db2.gz IKPZEXFKTHDLFR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001674463209 1356838433 /nfs/dbraw/zinc/83/84/33/1356838433.db2.gz HUXUNRXIKKQPQD-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC2CC(C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001674595776 1356862072 /nfs/dbraw/zinc/86/20/72/1356862072.db2.gz ZVHUNCVWILPTTC-UHFFFAOYSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCOC2CCC2)ccc2c[nH+]cn21 ZINC001674687826 1356876324 /nfs/dbraw/zinc/87/63/24/1356876324.db2.gz VWBKSSAEQJBYCM-KBPBESRZSA-N 2 0 344.459 2.308 10 0 EEAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001674749469 1356888962 /nfs/dbraw/zinc/88/89/62/1356888962.db2.gz ZOSMUFVAQWVGJU-CVEARBPZSA-N 2 0 341.540 2.406 10 0 EEAERP CCOCCC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001674809266 1356899612 /nfs/dbraw/zinc/89/96/12/1356899612.db2.gz ZUNVPDNPJIFKLP-WWDZGPRUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nccnc1C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001675946770 1357075165 /nfs/dbraw/zinc/07/51/65/1357075165.db2.gz DCDGSQCFBZKHES-HNNXBMFYSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001698858185 1405114850 /nfs/dbraw/zinc/11/48/50/1405114850.db2.gz CFTHMIAYVFNJCA-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001698899131 1405139403 /nfs/dbraw/zinc/13/94/03/1405139403.db2.gz SWXXKEZJZJSNEO-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1 ZINC001698919642 1405160997 /nfs/dbraw/zinc/16/09/97/1405160997.db2.gz DDYOVXWWFMDGRB-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)n1 ZINC001699136119 1405285537 /nfs/dbraw/zinc/28/55/37/1405285537.db2.gz ROCCXPASAKBIHB-HOCLYGCPSA-N 2 0 332.492 2.025 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001699258579 1405300162 /nfs/dbraw/zinc/30/01/62/1405300162.db2.gz ITGKCKMUBHFEKW-NJXZNGPYSA-N 2 0 341.446 2.026 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]Cc1cccnc1)[NH+]1CCCCCC1 ZINC001699538522 1405377505 /nfs/dbraw/zinc/37/75/05/1405377505.db2.gz AJDVSBZHJOIUAK-QGZVFWFLSA-N 2 0 332.492 2.284 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCc1cccc(F)c1)C1CC1 ZINC001699573861 1405400505 /nfs/dbraw/zinc/40/05/05/1405400505.db2.gz MHZPQIZMGXSDGR-OALUTQOASA-N 2 0 347.478 2.337 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2C1 ZINC001699987070 1405635135 /nfs/dbraw/zinc/63/51/35/1405635135.db2.gz FLWGRNDZFDHQRG-IXDOHACOSA-N 2 0 325.472 2.023 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000816646112 784165456 /nfs/dbraw/zinc/16/54/56/784165456.db2.gz XHXZLWYXKSEQML-UHFFFAOYSA-N 2 0 328.416 2.305 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(Br)cc1F ZINC000817902312 785054876 /nfs/dbraw/zinc/05/48/76/785054876.db2.gz NCXYLDMCABEWOY-ZDUSSCGKSA-N 2 0 333.245 2.474 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711276707 788584441 /nfs/dbraw/zinc/58/44/41/788584441.db2.gz BQSJLOYXFUNUNF-SJLPKXTDSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)cn2)CC1 ZINC000921523404 788838582 /nfs/dbraw/zinc/83/85/82/788838582.db2.gz ZGWZJXHSFCGWGQ-GUDVDZBRSA-N 2 0 344.503 2.128 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000923121365 788859144 /nfs/dbraw/zinc/85/91/44/788859144.db2.gz ZONUNILCENMQHH-CUUWKURXSA-N 2 0 336.524 2.423 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288461 788988276 /nfs/dbraw/zinc/98/82/76/788988276.db2.gz UCJSRWAVUBSFHX-FUHWJXTLSA-N 2 0 335.492 2.414 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000923170663 789048850 /nfs/dbraw/zinc/04/88/50/789048850.db2.gz LFKGFJOTTZZFTB-SJORKVTESA-N 2 0 347.507 2.246 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3CCC2CC3)C1)[C@H]1CCC[NH2+]1 ZINC000923329102 789373211 /nfs/dbraw/zinc/37/32/11/789373211.db2.gz OWCZGKIJAUMCIM-MQDHCWGVSA-N 2 0 333.520 2.393 10 0 EEAERP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC[NH2+]C3CC3)CC2)CC1 ZINC000923328903 789373703 /nfs/dbraw/zinc/37/37/03/789373703.db2.gz YBXHJEQXQNAASD-UHFFFAOYSA-N 4 0 336.568 2.257 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)CCc2ccccc2)C1 ZINC000923392557 789480393 /nfs/dbraw/zinc/48/03/93/789480393.db2.gz JVAQGWGEZYPAHR-ZRNYENFQSA-N 2 0 332.488 2.341 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCOCCc1ccccc1)CC2 ZINC000923448883 789561935 /nfs/dbraw/zinc/56/19/35/789561935.db2.gz HQBLJXYWOABGJB-LJQANCHMSA-N 2 0 332.488 2.466 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913823272 794347384 /nfs/dbraw/zinc/34/73/84/794347384.db2.gz ATITXZSQTGQVMI-KBAYOESNSA-N 2 0 330.476 2.215 10 0 EEAERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c3c(nn2C)CCOC3)c1 ZINC000921687207 794998762 /nfs/dbraw/zinc/99/87/62/794998762.db2.gz ZHRFINDDNWPVFL-UHFFFAOYSA-N 2 0 328.460 2.234 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3nccc4c3CCCC4)C2)CC1 ZINC000921733144 795640733 /nfs/dbraw/zinc/64/07/33/795640733.db2.gz MDLFDSGBQOOFRO-KRWDZBQOSA-N 2 0 328.504 2.219 10 0 EEAERP COCC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693164 796443465 /nfs/dbraw/zinc/44/34/65/796443465.db2.gz OCAREXWRXYMXQQ-ZGXWSNOMSA-N 2 0 332.488 2.417 10 0 EEAERP C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000921879788 797833465 /nfs/dbraw/zinc/83/34/65/797833465.db2.gz XQZWTPZBBAPNTJ-DMKPSLHHSA-N 2 0 334.508 2.343 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000922557090 801304464 /nfs/dbraw/zinc/30/44/64/801304464.db2.gz HKERXGSJCIIWAG-QFBILLFUSA-N 2 0 330.520 2.399 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566075208 1125548020 /nfs/dbraw/zinc/54/80/20/1125548020.db2.gz IPLYAEBAVAEQHX-GOSISDBHSA-N 2 0 339.524 2.260 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001566106895 1125561782 /nfs/dbraw/zinc/56/17/82/1125561782.db2.gz MNTZIDJCBGFBMB-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccnc1C ZINC001566554452 1125724626 /nfs/dbraw/zinc/72/46/26/1125724626.db2.gz FTCHLDAQFCMYFU-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1nc(CN(CCCNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cs1 ZINC001566582795 1125767112 /nfs/dbraw/zinc/76/71/12/1125767112.db2.gz KQDXSWSGWZMFQB-INIZCTEOSA-N 2 0 336.505 2.016 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001436479367 1087956251 /nfs/dbraw/zinc/95/62/51/1087956251.db2.gz BXJQLWMWLSMBQE-ILXRZTDVSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001436479603 1087958769 /nfs/dbraw/zinc/95/87/69/1087958769.db2.gz DLKBQIWVLVOZSG-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001436502706 1088034395 /nfs/dbraw/zinc/03/43/95/1088034395.db2.gz YOLSIKYDNREFSS-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccn(CC)n1 ZINC001436666328 1088101471 /nfs/dbraw/zinc/10/14/71/1088101471.db2.gz LSUOSPLZBFZAFR-WMZOPIPTSA-N 2 0 349.523 2.104 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C1)[NH+](C)C ZINC001436964656 1088654834 /nfs/dbraw/zinc/65/48/34/1088654834.db2.gz NIXGSENWCUAJQW-GUTXKFCHSA-N 2 0 325.403 2.042 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)s1 ZINC001437161269 1089171367 /nfs/dbraw/zinc/17/13/67/1089171367.db2.gz ISXUHKUZGXMGIK-DGCLKSJQSA-N 2 0 329.897 2.480 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001437233766 1089329868 /nfs/dbraw/zinc/32/98/68/1089329868.db2.gz LVOALTCGICGNPO-HOTGVXAUSA-N 2 0 347.507 2.061 10 0 EEAERP Cc1cccc(Cl)c1C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001437236742 1089337199 /nfs/dbraw/zinc/33/71/99/1089337199.db2.gz MUPQKMKQSZMUIC-AWEZNQCLSA-N 2 0 335.879 2.339 10 0 EEAERP CO[C@@H](C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1)C1CCC1 ZINC001437358309 1089587282 /nfs/dbraw/zinc/58/72/82/1089587282.db2.gz OSIWTRCROHAGSN-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001437370200 1089610131 /nfs/dbraw/zinc/61/01/31/1089610131.db2.gz FKKRZIXDONSSBU-UXIGCNINSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437396420 1089653479 /nfs/dbraw/zinc/65/34/79/1089653479.db2.gz JMEKNWLBSUBHGD-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001437940263 1090533350 /nfs/dbraw/zinc/53/33/50/1090533350.db2.gz MGYCBLICSWUIJZ-YJBOKZPZSA-N 2 0 345.478 2.387 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2C[NH+](Cc3ccccc3)C2)C1 ZINC001438147087 1090666490 /nfs/dbraw/zinc/66/64/90/1090666490.db2.gz WYHCILHZDMPENR-HXUWFJFHSA-N 2 0 347.478 2.447 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001438273290 1090758186 /nfs/dbraw/zinc/75/81/86/1090758186.db2.gz SNZAYYJTGOCMHS-CVEARBPZSA-N 2 0 343.462 2.440 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001438377842 1090859671 /nfs/dbraw/zinc/85/96/71/1090859671.db2.gz RDNPFNODAORXHD-DOTOQJQBSA-N 2 0 336.480 2.096 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001438453507 1090961383 /nfs/dbraw/zinc/96/13/83/1090961383.db2.gz PLPWAZLXFGFWDV-HNNXBMFYSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001438650341 1091134943 /nfs/dbraw/zinc/13/49/43/1091134943.db2.gz ZSBWLUGICUQCCZ-MAUKXSAKSA-N 2 0 347.478 2.412 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cnccc2C)C1 ZINC001438689436 1091191558 /nfs/dbraw/zinc/19/15/58/1091191558.db2.gz ZIYKSJAHDPJFID-MSOLQXFVSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC001445624797 1091418323 /nfs/dbraw/zinc/41/83/23/1091418323.db2.gz FJNALOIQHPOQHA-ZDUSSCGKSA-N 2 0 346.500 2.421 10 0 EEAERP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001445652147 1091441381 /nfs/dbraw/zinc/44/13/81/1091441381.db2.gz YTBLVSLWFKLIEC-KRWDZBQOSA-N 2 0 329.488 2.302 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001445660822 1091448602 /nfs/dbraw/zinc/44/86/02/1091448602.db2.gz WSTZHCWXTREJKT-KSSFIOAISA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438834835 1091456616 /nfs/dbraw/zinc/45/66/16/1091456616.db2.gz KEGXONYNCMDJCX-NVXWUHKLSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001438856539 1091492771 /nfs/dbraw/zinc/49/27/71/1091492771.db2.gz SHQXPWDUCPGFTP-IRXDYDNUSA-N 2 0 349.523 2.132 10 0 EEAERP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001445773093 1091635922 /nfs/dbraw/zinc/63/59/22/1091635922.db2.gz YKRUTLNTPHUDNI-DOTOQJQBSA-N 2 0 332.492 2.462 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@H]3CN(C(=O)CC[NH+](C)C)CC[C@H]32)c1 ZINC001438950132 1091640060 /nfs/dbraw/zinc/64/00/60/1091640060.db2.gz MALKGQLYEOCIAX-RBUKOAKNSA-N 2 0 329.488 2.370 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)s1 ZINC001438967653 1091660422 /nfs/dbraw/zinc/66/04/22/1091660422.db2.gz SHGVTWHRATZRER-GDBMZVCRSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)s1 ZINC001438967678 1091660444 /nfs/dbraw/zinc/66/04/44/1091660444.db2.gz SHGVTWHRATZRER-ZBFHGGJFSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001439063553 1091708127 /nfs/dbraw/zinc/70/81/27/1091708127.db2.gz FJLWPAXTARPYIQ-RDJZCZTQSA-N 2 0 347.507 2.062 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cncc(C)c1)C1CC1 ZINC001445945945 1091884175 /nfs/dbraw/zinc/88/41/75/1091884175.db2.gz BPPDXRQVNHVKTJ-OALUTQOASA-N 2 0 344.503 2.249 10 0 EEAERP COCC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001439240891 1091888278 /nfs/dbraw/zinc/88/82/78/1091888278.db2.gz WHOUSHQZVSNJMS-WDSOQIARSA-N 2 0 347.503 2.343 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001445958056 1091904888 /nfs/dbraw/zinc/90/48/88/1091904888.db2.gz XQJKIHPEIBYRHD-HOTGVXAUSA-N 2 0 336.505 2.000 10 0 EEAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001439366377 1092090766 /nfs/dbraw/zinc/09/07/66/1092090766.db2.gz MRDBCJDSNTXAAV-KDOFPFPSSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001439378598 1092119700 /nfs/dbraw/zinc/11/97/00/1092119700.db2.gz LLZHEWJKYFPORX-IRXDYDNUSA-N 2 0 327.513 2.111 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001446163184 1092213588 /nfs/dbraw/zinc/21/35/88/1092213588.db2.gz RXWDTVXEFPYGBB-MSOLQXFVSA-N 2 0 327.472 2.397 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001439447702 1092214167 /nfs/dbraw/zinc/21/41/67/1092214167.db2.gz RRUBOTPZFUNGEL-MSOLQXFVSA-N 2 0 333.451 2.235 10 0 EEAERP CC(C)c1cccc(C[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC001446177697 1092243924 /nfs/dbraw/zinc/24/39/24/1092243924.db2.gz ZLBIVTOQESWSMT-UHFFFAOYSA-N 2 0 344.503 2.428 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1ccccc1F ZINC001446250200 1092374015 /nfs/dbraw/zinc/37/40/15/1092374015.db2.gz PKVFCWMFLFGXRV-GJZGRUSLSA-N 2 0 333.451 2.467 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001439693003 1092642262 /nfs/dbraw/zinc/64/22/62/1092642262.db2.gz AKOSAQNMXVYAOU-IRXDYDNUSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c(C)s1 ZINC001439782390 1092737598 /nfs/dbraw/zinc/73/75/98/1092737598.db2.gz MSOLOAUGGOUNEB-HNNXBMFYSA-N 2 0 338.521 2.181 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001439853900 1092874319 /nfs/dbraw/zinc/87/43/19/1092874319.db2.gz BGRJCSBRKKLIHP-APWZRJJASA-N 2 0 333.451 2.248 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@](C)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001439943811 1093050463 /nfs/dbraw/zinc/05/04/63/1093050463.db2.gz AULKSLWGSLQABD-QFBILLFUSA-N 2 0 348.491 2.043 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001440176482 1093233602 /nfs/dbraw/zinc/23/36/02/1093233602.db2.gz ANJQIZUBUQIQCS-PXNSSMCTSA-N 2 0 347.503 2.033 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C)nc2C)CC1(C)C ZINC001448411620 1093420540 /nfs/dbraw/zinc/42/05/40/1093420540.db2.gz HNLLQERZGFTGEM-SFHVURJKSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]3C2)o1 ZINC001448477823 1093495355 /nfs/dbraw/zinc/49/53/55/1093495355.db2.gz WCPXUOCJWPTXBX-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001448526086 1093558122 /nfs/dbraw/zinc/55/81/22/1093558122.db2.gz WCPKPPACCDTESG-QAQDUYKDSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001440410487 1093604062 /nfs/dbraw/zinc/60/40/62/1093604062.db2.gz LJDBWQQIKMKJLF-GVDBMIGSSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001448698258 1093761779 /nfs/dbraw/zinc/76/17/79/1093761779.db2.gz MRVGNNFUILYELQ-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCO[C@@H](C)C2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440533776 1093795510 /nfs/dbraw/zinc/79/55/10/1093795510.db2.gz USEBIGLFCTVUBX-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001440538801 1093804110 /nfs/dbraw/zinc/80/41/10/1093804110.db2.gz OQXSUIOZDCLFLT-QAPCUYQASA-N 2 0 335.467 2.229 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]C[C@H]2CCOC2)CC1 ZINC001440540373 1093808308 /nfs/dbraw/zinc/80/83/08/1093808308.db2.gz STBRHFOZNYMXCX-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001440762661 1094004041 /nfs/dbraw/zinc/00/40/41/1094004041.db2.gz ZSZPWZXUMCZKHA-PESDSKBTSA-N 2 0 331.451 2.102 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001440805379 1094051690 /nfs/dbraw/zinc/05/16/90/1094051690.db2.gz ZYDFDTJOYZKKCC-STQMWFEESA-N 2 0 339.430 2.432 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC2(C)C)o1 ZINC001449087459 1094100402 /nfs/dbraw/zinc/10/04/02/1094100402.db2.gz UVUZRIWBRIGNNC-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001440923021 1094177017 /nfs/dbraw/zinc/17/70/17/1094177017.db2.gz HWFLGLHRYUVVGS-QAPCUYQASA-N 2 0 347.478 2.412 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001449352365 1094312415 /nfs/dbraw/zinc/31/24/15/1094312415.db2.gz CVZRIVBSFQUKAB-OAHLLOKOSA-N 2 0 335.467 2.494 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1scnc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441115066 1094432528 /nfs/dbraw/zinc/43/25/28/1094432528.db2.gz IZBJVCYHUHDGPH-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)c1 ZINC001441190792 1094550101 /nfs/dbraw/zinc/55/01/01/1094550101.db2.gz HLLXNDLOWXRNCM-PMACEKPBSA-N 2 0 341.499 2.321 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001441409059 1094987062 /nfs/dbraw/zinc/98/70/62/1094987062.db2.gz XHBCRKWOJGBSDU-WKILWMFISA-N 2 0 333.451 2.213 10 0 EEAERP COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001441546424 1095269728 /nfs/dbraw/zinc/26/97/28/1095269728.db2.gz GXUJGRQGVQLGKV-CALCHBBNSA-N 2 0 333.476 2.081 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@@H]1C ZINC001441832939 1095893038 /nfs/dbraw/zinc/89/30/38/1095893038.db2.gz JEDSBPXNFQKKAQ-XJKSGUPXSA-N 2 0 339.430 2.384 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001441844048 1095922783 /nfs/dbraw/zinc/92/27/83/1095922783.db2.gz QFYPQELOIDMUMJ-HUUCEWRRSA-N 2 0 333.476 2.335 10 0 EEAERP Cc1nccnc1C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001441873082 1095989661 /nfs/dbraw/zinc/98/96/61/1095989661.db2.gz LGAVXZLHVNUPNJ-AWEZNQCLSA-N 2 0 347.507 2.032 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C(C)(C)C1 ZINC001441910266 1096083310 /nfs/dbraw/zinc/08/33/10/1096083310.db2.gz CEHVHOXSSNXEBB-SFHVURJKSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001441942230 1096140244 /nfs/dbraw/zinc/14/02/44/1096140244.db2.gz LUCMZVPUWAHTPY-IKGGRYGDSA-N 2 0 346.519 2.077 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001442006721 1096211206 /nfs/dbraw/zinc/21/12/06/1096211206.db2.gz WIBASUGUFGTOFC-HIFRSBDPSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001442065269 1096277440 /nfs/dbraw/zinc/27/74/40/1096277440.db2.gz NASLWNRJYXXFJL-HNNXBMFYSA-N 2 0 344.459 2.276 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001442203243 1096486873 /nfs/dbraw/zinc/48/68/73/1096486873.db2.gz YELUOANVUZHONV-RYUDHWBXSA-N 2 0 344.912 2.265 10 0 EEAERP CO[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001442220975 1096516309 /nfs/dbraw/zinc/51/63/09/1096516309.db2.gz RSSPTSWANVEWCR-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001442220967 1096516878 /nfs/dbraw/zinc/51/68/78/1096516878.db2.gz RSSPTSWANVEWCR-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001442261184 1096564666 /nfs/dbraw/zinc/56/46/66/1096564666.db2.gz RWTZFVAGOPDEKA-RUXDESIVSA-N 2 0 335.414 2.392 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(F)cc1 ZINC001442955401 1097374052 /nfs/dbraw/zinc/37/40/52/1097374052.db2.gz ZASMSDNRUJQEHV-KRWDZBQOSA-N 2 0 335.467 2.496 10 0 EEAERP CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001443090670 1097505224 /nfs/dbraw/zinc/50/52/24/1097505224.db2.gz VPKXFAUMKMKSPE-IAGOWNOFSA-N 2 0 337.414 2.094 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1CN(Cc2ccc(Cl)c(F)c2)C1 ZINC001443654753 1098153097 /nfs/dbraw/zinc/15/30/97/1098153097.db2.gz SRQAACMOAXEXHB-UHFFFAOYSA-N 2 0 341.858 2.367 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccnc1C)[NH+](CC)CC ZINC001443681719 1098185197 /nfs/dbraw/zinc/18/51/97/1098185197.db2.gz XISNEHFZQAPROM-FHWLQOOXSA-N 2 0 344.503 2.296 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCCCCF)C1 ZINC001479591471 1098621485 /nfs/dbraw/zinc/62/14/85/1098621485.db2.gz WKENMVKAFHFPPF-ZACQAIPSSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001479643893 1098674273 /nfs/dbraw/zinc/67/42/73/1098674273.db2.gz HLIWEYCSNZTRGD-RYQLBKOJSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001479729011 1098826253 /nfs/dbraw/zinc/82/62/53/1098826253.db2.gz DWCPUODIMGTUOY-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001444346907 1098911356 /nfs/dbraw/zinc/91/13/56/1098911356.db2.gz JDXKWOBSSQTYQB-ZDUSSCGKSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)on1 ZINC001479808766 1099058573 /nfs/dbraw/zinc/05/85/73/1099058573.db2.gz OBPIIWKYFXNUMM-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001479808819 1099059037 /nfs/dbraw/zinc/05/90/37/1099059037.db2.gz PQQRRVJUXYIDFW-KRWDZBQOSA-N 2 0 342.487 2.448 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@H]1CCc2ccccc21 ZINC001479812640 1099074804 /nfs/dbraw/zinc/07/48/04/1099074804.db2.gz PLZJSLNUCCXWSI-RTBURBONSA-N 2 0 343.515 2.496 10 0 EEAERP Cc1noc(C)c1C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001479871573 1099219709 /nfs/dbraw/zinc/21/97/09/1099219709.db2.gz NNROCZASFYRSQY-UHFFFAOYSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cccnc1C[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001479876073 1099235105 /nfs/dbraw/zinc/23/51/05/1099235105.db2.gz NAQWVTJYIIJRCZ-INIZCTEOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCCC2)on1 ZINC001444516326 1099261613 /nfs/dbraw/zinc/26/16/13/1099261613.db2.gz BBRGALHHIRJHKG-UHFFFAOYSA-N 2 0 348.491 2.376 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1N(C)C)[NH+](C)C ZINC001444616773 1099441639 /nfs/dbraw/zinc/44/16/39/1099441639.db2.gz FSYFDYAVXGHESZ-NVXWUHKLSA-N 2 0 334.508 2.029 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001444713762 1099576018 /nfs/dbraw/zinc/57/60/18/1099576018.db2.gz RYSSTTQHCABIQO-INIZCTEOSA-N 2 0 344.503 2.237 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1)[NH+](C)C ZINC001480158690 1099730545 /nfs/dbraw/zinc/73/05/45/1099730545.db2.gz XQVAICQIETUFHP-BZSNNMDCSA-N 2 0 335.467 2.335 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001480168434 1099744097 /nfs/dbraw/zinc/74/40/97/1099744097.db2.gz JISIJEXFLFCBHA-SHTZXODSSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189653 1099789009 /nfs/dbraw/zinc/78/90/09/1099789009.db2.gz QHOLIPOBQYXYLZ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001480212110 1099821348 /nfs/dbraw/zinc/82/13/48/1099821348.db2.gz ZHQCHEVNVVDNEL-OTWHNJEPSA-N 2 0 347.478 2.479 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001480287043 1099996296 /nfs/dbraw/zinc/99/62/96/1099996296.db2.gz WCBZCUZBEGFWOQ-GHKWRAHLSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)C[C@@H](C)n3ccnc3)CC2)co1 ZINC001480408866 1100225447 /nfs/dbraw/zinc/22/54/47/1100225447.db2.gz ZDPLBBIFLBEZRM-IUDNXUCKSA-N 2 0 345.447 2.348 10 0 EEAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001480528118 1100359424 /nfs/dbraw/zinc/35/94/24/1100359424.db2.gz URRZCPWMZOSOBD-YVEFUNNKSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001480537886 1100367853 /nfs/dbraw/zinc/36/78/53/1100367853.db2.gz RAPGBWAJEMBHAW-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)s1 ZINC001480538312 1100369700 /nfs/dbraw/zinc/36/97/00/1100369700.db2.gz XDUJJEWPASOEDP-GFCCVEGCSA-N 2 0 326.510 2.024 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001445122998 1100372935 /nfs/dbraw/zinc/37/29/35/1100372935.db2.gz YLASPQCOEDIXOF-DLBZAZTESA-N 2 0 348.491 2.234 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495168051 1100842233 /nfs/dbraw/zinc/84/22/33/1100842233.db2.gz KXQJNQFKEVLDTD-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@@H]1CCCOC1)C1CCCCC1 ZINC001496321203 1100915022 /nfs/dbraw/zinc/91/50/22/1100915022.db2.gz UEBXJPYWBNOFKF-FUHWJXTLSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001496324830 1100920488 /nfs/dbraw/zinc/92/04/88/1100920488.db2.gz FRKZOSPLWZQGLP-SJLPKXTDSA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001495264900 1100961145 /nfs/dbraw/zinc/96/11/45/1100961145.db2.gz HMISXHCGPXJRBG-HKUYNNGSSA-N 2 0 348.466 2.080 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001496376207 1100969020 /nfs/dbraw/zinc/96/90/20/1100969020.db2.gz PLYOJVGAVDYMRN-IEBWSBKVSA-N 2 0 331.504 2.396 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3F)C2)C1 ZINC001446545184 1101009832 /nfs/dbraw/zinc/00/98/32/1101009832.db2.gz CXFCQTGDXVNYSI-KXBFYZLASA-N 2 0 333.451 2.248 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CCN(Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567918 1101051326 /nfs/dbraw/zinc/05/13/26/1101051326.db2.gz XETNZAHTNLTVDO-QAPCUYQASA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001496486614 1101077802 /nfs/dbraw/zinc/07/78/02/1101077802.db2.gz JICFHVDWRNRBQA-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CCCC[NH+]1CCC(C)(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001446647172 1101164115 /nfs/dbraw/zinc/16/41/15/1101164115.db2.gz OBXINRZCIBPASR-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001496573181 1101173325 /nfs/dbraw/zinc/17/33/25/1101173325.db2.gz AWBUOBHIAVOLEB-QGZVFWFLSA-N 2 0 332.448 2.023 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446682642 1101233890 /nfs/dbraw/zinc/23/38/90/1101233890.db2.gz SLIWORIVZOBXDF-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCCC1 ZINC001495963763 1101843194 /nfs/dbraw/zinc/84/31/94/1101843194.db2.gz QGWCWECQNQFQKH-IRXDYDNUSA-N 2 0 339.524 2.040 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497275383 1102237594 /nfs/dbraw/zinc/23/75/94/1102237594.db2.gz HLKRJADKDQYLDF-RDJZCZTQSA-N 2 0 336.480 2.230 10 0 EEAERP CO[C@H](C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1)C1CCC1 ZINC001447309247 1102423625 /nfs/dbraw/zinc/42/36/25/1102423625.db2.gz ZZPONWLCZDKITC-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001447313469 1102430704 /nfs/dbraw/zinc/43/07/04/1102430704.db2.gz XNQPRFMNQCSYDK-IRXDYDNUSA-N 2 0 348.491 2.328 10 0 EEAERP COC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001447352866 1102507496 /nfs/dbraw/zinc/50/74/96/1102507496.db2.gz BQAHAZCJXVSEDA-CRAIPNDOSA-N 2 0 345.503 2.014 10 0 EEAERP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001447414853 1102613358 /nfs/dbraw/zinc/61/33/58/1102613358.db2.gz OJULLLHMHSIWIV-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497798295 1103124157 /nfs/dbraw/zinc/12/41/57/1103124157.db2.gz UTXMMHXNIXKJBZ-WBMJQRKESA-N 2 0 341.858 2.210 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963601 1103425250 /nfs/dbraw/zinc/42/52/50/1103425250.db2.gz ZVXKXKJBVBVBKL-CVEARBPZSA-N 2 0 341.499 2.426 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001447863120 1103470377 /nfs/dbraw/zinc/47/03/77/1103470377.db2.gz YUMHYEUHTADHQM-QWRGUYRKSA-N 2 0 335.477 2.099 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001447900836 1103554288 /nfs/dbraw/zinc/55/42/88/1103554288.db2.gz DGIPQNMOUOEWJF-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001447915634 1103587622 /nfs/dbraw/zinc/58/76/22/1103587622.db2.gz XIUUBMCLLSSUIV-HOTGVXAUSA-N 2 0 339.524 2.016 10 0 EEAERP C[N@H+](CCCCCF)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001494214313 1103709347 /nfs/dbraw/zinc/70/93/47/1103709347.db2.gz UJPLRSQPSDSFMY-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(CF)cc1 ZINC001448128678 1104069025 /nfs/dbraw/zinc/06/90/25/1104069025.db2.gz CHXBQGKBABYXQD-MAUKXSAKSA-N 2 0 335.467 2.434 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1ccccc1F ZINC001494981070 1104623195 /nfs/dbraw/zinc/62/31/95/1104623195.db2.gz KTUPZRWUOQQTST-HYVNUMGLSA-N 2 0 335.467 2.193 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480637397 1106804421 /nfs/dbraw/zinc/80/44/21/1106804421.db2.gz QKYDVLQZGNDDAR-OELZETHLSA-N 2 0 327.472 2.232 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CCC1 ZINC001480649792 1106819906 /nfs/dbraw/zinc/81/99/06/1106819906.db2.gz YYBYTRQPDFAPID-HNNXBMFYSA-N 2 0 335.517 2.213 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001480678223 1106867874 /nfs/dbraw/zinc/86/78/74/1106867874.db2.gz WSJOJUYAXQPWIA-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)NC(=O)CCC[NH+](C)C ZINC001498098501 1106918112 /nfs/dbraw/zinc/91/81/12/1106918112.db2.gz JMBKIMZULBPUNA-IRXDYDNUSA-N 2 0 331.504 2.228 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)C1 ZINC001480734383 1107003669 /nfs/dbraw/zinc/00/36/69/1107003669.db2.gz DYUVOVQFENOACG-QGZVFWFLSA-N 2 0 339.430 2.339 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161252 1107004685 /nfs/dbraw/zinc/00/46/85/1107004685.db2.gz UNVJODYNWOPRLH-YVEFUNNKSA-N 2 0 349.425 2.142 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)co1 ZINC001480763864 1107066107 /nfs/dbraw/zinc/06/61/07/1107066107.db2.gz NGONKXOEXSTKCD-AWEZNQCLSA-N 2 0 336.480 2.232 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001498552641 1107709605 /nfs/dbraw/zinc/70/96/05/1107709605.db2.gz TXKHRRQWGZOAGE-KRWDZBQOSA-N 2 0 336.480 2.048 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001493253340 1107779246 /nfs/dbraw/zinc/77/92/46/1107779246.db2.gz QLKBKRWPRUHZEL-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)c(C)o1 ZINC001498626066 1107835080 /nfs/dbraw/zinc/83/50/80/1107835080.db2.gz PJLGGMYGMKWHRA-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1cncn1C)c1ccccc1F ZINC001498641456 1107873816 /nfs/dbraw/zinc/87/38/16/1107873816.db2.gz CIUNJABYRVPHHF-CQSZACIVSA-N 2 0 332.423 2.301 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC001498658473 1107911411 /nfs/dbraw/zinc/91/14/11/1107911411.db2.gz PPUZBWIMFHWDLQ-ZIAGYGMSSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ncccc2C)C2CC2)CC[N@@H+]1C ZINC001498757399 1108036949 /nfs/dbraw/zinc/03/69/49/1108036949.db2.gz ASCHDDWIVLWHEV-YTQUADARSA-N 2 0 344.503 2.105 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001498776591 1108080694 /nfs/dbraw/zinc/08/06/94/1108080694.db2.gz ZGSFEYSYTSUBEA-OALUTQOASA-N 2 0 344.503 2.249 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1coc(C)n1 ZINC001498894982 1108292266 /nfs/dbraw/zinc/29/22/66/1108292266.db2.gz YLGVSZNPILGRNB-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001493694050 1108520616 /nfs/dbraw/zinc/52/06/16/1108520616.db2.gz AWSBFNCDNKUXJQ-KRWDZBQOSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001457104719 1109461137 /nfs/dbraw/zinc/46/11/37/1109461137.db2.gz WOORGYPJFMEHRY-OALUTQOASA-N 2 0 344.503 2.478 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001499183851 1112166526 /nfs/dbraw/zinc/16/65/26/1112166526.db2.gz LCBMQDFZTMLRJZ-KGLIPLIRSA-N 2 0 329.435 2.145 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC[C@@H]3CCCC3(F)F)CC2)C1 ZINC001499420457 1112278331 /nfs/dbraw/zinc/27/83/31/1112278331.db2.gz FIPJYVOQSQRBBY-CABCVRRESA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001499531013 1112346104 /nfs/dbraw/zinc/34/61/04/1112346104.db2.gz PNARMNBQTFTDAS-UHFFFAOYSA-N 2 0 333.520 2.441 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499615612 1112413134 /nfs/dbraw/zinc/41/31/34/1112413134.db2.gz FLTNTZGYSPUTIC-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001501146225 1113214685 /nfs/dbraw/zinc/21/46/85/1113214685.db2.gz KRRCYPKTBWSOGY-UONOGXRCSA-N 2 0 337.430 2.355 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCOc2ccccc2)C1 ZINC001501152828 1113217163 /nfs/dbraw/zinc/21/71/63/1113217163.db2.gz FHNZIADONCIYHF-ROUUACIJSA-N 2 0 347.503 2.090 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001501544538 1113376889 /nfs/dbraw/zinc/37/68/89/1113376889.db2.gz NBQLIIXHKLFTKD-YJBOKZPZSA-N 2 0 333.451 2.248 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1ccnc1C(C)C ZINC001501890094 1113512180 /nfs/dbraw/zinc/51/21/80/1113512180.db2.gz ZYOJFZJBNNIHDE-MRXNPFEDSA-N 2 0 336.480 2.014 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001501959986 1113537333 /nfs/dbraw/zinc/53/73/33/1113537333.db2.gz FEJHXTCUPWVUBJ-KRWDZBQOSA-N 2 0 348.466 2.224 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC001502811423 1113808519 /nfs/dbraw/zinc/80/85/19/1113808519.db2.gz UACZDZZGAQRPGB-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)nc1C ZINC001505453346 1113987570 /nfs/dbraw/zinc/98/75/70/1113987570.db2.gz YVOFRLQTLZIRQM-IBGZPJMESA-N 2 0 346.519 2.463 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001505516596 1114032233 /nfs/dbraw/zinc/03/22/33/1114032233.db2.gz CEZGUGXCUKWJFV-VXESANQCSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001505961044 1114302250 /nfs/dbraw/zinc/30/22/50/1114302250.db2.gz FDZHLAXXKYZLJN-ZIAGYGMSSA-N 2 0 333.411 2.066 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001506488211 1114644365 /nfs/dbraw/zinc/64/43/65/1114644365.db2.gz LUEOSGWPJUHHSE-HOCLYGCPSA-N 2 0 338.521 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001506860540 1114926349 /nfs/dbraw/zinc/92/63/49/1114926349.db2.gz XVWKDOVQXAKRGD-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)C[C@H](C(=O)N1CC2(C1)CCCN(CCF)C2)n1ccnc1 ZINC001506862902 1114929773 /nfs/dbraw/zinc/92/97/73/1114929773.db2.gz HRPBMHIGJHMHHG-MRXNPFEDSA-N 2 0 336.455 2.364 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC001506896760 1114958126 /nfs/dbraw/zinc/95/81/26/1114958126.db2.gz XIOPLHMARXBBKV-UMVBOHGHSA-N 2 0 339.430 2.462 10 0 EEAERP CC(C)COCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001506964409 1115013394 /nfs/dbraw/zinc/01/33/94/1115013394.db2.gz QKTMQBDWBQOIQF-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001507034855 1115071587 /nfs/dbraw/zinc/07/15/87/1115071587.db2.gz UYZKFCGDSMETNL-UYAOXDASSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC2(CC2)CC1 ZINC001507149767 1115134746 /nfs/dbraw/zinc/13/47/46/1115134746.db2.gz QYCICSFZSYNQMP-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)CN1C(=O)CC[NH+](C)C ZINC001507316799 1115188546 /nfs/dbraw/zinc/18/85/46/1115188546.db2.gz DRMZICBVZDQOQJ-DOTOQJQBSA-N 2 0 347.507 2.029 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001507369639 1115228773 /nfs/dbraw/zinc/22/87/73/1115228773.db2.gz VDEURECXTMPJLP-TWDVFJJTSA-N 2 0 327.900 2.296 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cncc(C)c2)CC1)[NH+](C)C ZINC001508082966 1115415201 /nfs/dbraw/zinc/41/52/01/1115415201.db2.gz ZBJCYDLZUKGQMX-LPHOPBHVSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCCF)CC1 ZINC001508082312 1115415262 /nfs/dbraw/zinc/41/52/62/1115415262.db2.gz FGDKJBIIXVAJMW-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC001508154283 1115428808 /nfs/dbraw/zinc/42/88/08/1115428808.db2.gz GMNRRTHJDKZHFF-UHFFFAOYSA-N 2 0 338.883 2.154 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH2+]CCCF)cc2F)C1 ZINC001508241323 1115457881 /nfs/dbraw/zinc/45/78/81/1115457881.db2.gz RWJPJVNZKIFZEE-AWEZNQCLSA-N 2 0 339.430 2.233 10 0 EEAERP CC(C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001541368938 1124104313 /nfs/dbraw/zinc/10/43/13/1124104313.db2.gz XEDBWVXAPHCSGA-HOTGVXAUSA-N 2 0 334.512 2.026 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCc2cccs2)CCCC1 ZINC001567995127 1124221284 /nfs/dbraw/zinc/22/12/84/1124221284.db2.gz FSLNCRQCHIGJOD-INIZCTEOSA-N 2 0 335.517 2.403 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568056634 1124261896 /nfs/dbraw/zinc/26/18/96/1124261896.db2.gz HVNNELLKACKOLM-JFIYKMOQSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC(CC[NH2+]C/C=C/Cl)CC2)CC1 ZINC001568092644 1124296851 /nfs/dbraw/zinc/29/68/51/1124296851.db2.gz YIXGCINAFNCALV-KRXBUXKQSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568279134 1124401299 /nfs/dbraw/zinc/40/12/99/1124401299.db2.gz JGLUHWAWVQKQFI-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC(F)(F)F)C1 ZINC001568400178 1124469813 /nfs/dbraw/zinc/46/98/13/1124469813.db2.gz FECYNZQIJHSNSY-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001568470185 1124529878 /nfs/dbraw/zinc/52/98/78/1124529878.db2.gz JFZOLZQDNADVIS-MJGOQNOKSA-N 2 0 347.503 2.056 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568630495 1124644822 /nfs/dbraw/zinc/64/48/22/1124644822.db2.gz DYKLACMRYCOQLZ-SJLPKXTDSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568634022 1124649239 /nfs/dbraw/zinc/64/92/39/1124649239.db2.gz SEGZTYHWHLHWEX-DMDPSCGWSA-N 2 0 344.912 2.121 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccc1C ZINC001568639619 1124652764 /nfs/dbraw/zinc/65/27/64/1124652764.db2.gz VJZCRMJPHJZTTL-SJLPKXTDSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568642886 1124655028 /nfs/dbraw/zinc/65/50/28/1124655028.db2.gz UAVCULCMFWCQEP-QAPCUYQASA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)oc1C ZINC001568645341 1124657542 /nfs/dbraw/zinc/65/75/42/1124657542.db2.gz GGBUNKPNYULARW-AWEZNQCLSA-N 2 0 348.491 2.152 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1cnccn1 ZINC001569246754 1125192385 /nfs/dbraw/zinc/19/23/85/1125192385.db2.gz OITYYCWWNQOVRU-SJORKVTESA-N 2 0 347.507 2.240 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247050 1125192757 /nfs/dbraw/zinc/19/27/57/1125192757.db2.gz AEFZGCDFWPJHSU-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC001569268650 1125208693 /nfs/dbraw/zinc/20/86/93/1125208693.db2.gz HVCMMIXRFZNJAB-HUUCEWRRSA-N 2 0 336.480 2.048 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001569320183 1125227541 /nfs/dbraw/zinc/22/75/41/1125227541.db2.gz NEBKOOYVIJVYEE-TYBAJPJBSA-N 2 0 345.890 2.436 10 0 EEAERP C[NH+]1CCC(C)(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416194795 530048300 /nfs/dbraw/zinc/04/83/00/530048300.db2.gz IKOKAVFZROEQAD-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000340094455 539823261 /nfs/dbraw/zinc/82/32/61/539823261.db2.gz LEDYLNSZUNMZQG-RYQLBKOJSA-N 2 0 332.492 2.461 10 0 EEAERP CC(C)CNC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271307 539991734 /nfs/dbraw/zinc/99/17/34/539991734.db2.gz BYCOEEAWIGIXTL-AAEUAGOBSA-N 2 0 325.482 2.090 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)CC[NH2+]CC1 ZINC000422974947 240314737 /nfs/dbraw/zinc/31/47/37/240314737.db2.gz FSTWLKHYOAGKQD-WBVHZDCISA-N 2 0 328.497 2.085 10 0 EEAERP Brc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000423201551 240404032 /nfs/dbraw/zinc/40/40/32/240404032.db2.gz IVTPAVFRUBDAKL-MRXNPFEDSA-N 2 0 338.293 2.395 10 0 EEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000246193527 243209361 /nfs/dbraw/zinc/20/93/61/243209361.db2.gz DHOHLTQPWPCHDY-WDSOQIARSA-N 2 0 349.519 2.011 10 0 EEAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000020217683 212112432 /nfs/dbraw/zinc/11/24/32/212112432.db2.gz FJXOSYZHKPVYHU-AWEZNQCLSA-N 2 0 330.245 2.226 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000173946630 533585552 /nfs/dbraw/zinc/58/55/52/533585552.db2.gz BUVWIGCAHCUHHW-QAPCUYQASA-N 2 0 332.492 2.372 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2c(F)cccc2F)CC1 ZINC000171589039 533664722 /nfs/dbraw/zinc/66/47/22/533664722.db2.gz YJWFPSRIPGGQJD-DYVFJYSZSA-N 2 0 342.430 2.023 10 0 EEAERP [NH3+]Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000188971625 160133244 /nfs/dbraw/zinc/13/32/44/160133244.db2.gz ZVNAGQDKJRDUQS-QAPCUYQASA-N 2 0 345.393 2.299 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246335542 160274431 /nfs/dbraw/zinc/27/44/31/160274431.db2.gz OOIACXYIULWJEB-VUCRHFMTSA-N 2 0 336.524 2.421 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1C ZINC000247056517 160307858 /nfs/dbraw/zinc/30/78/58/160307858.db2.gz YUGLRFUUJIJGPM-QLFBSQMISA-N 2 0 338.521 2.475 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000247990838 160336193 /nfs/dbraw/zinc/33/61/93/160336193.db2.gz JBYZLCRQTFMBMA-YTQUADARSA-N 2 0 344.503 2.415 10 0 EEAERP CCOc1cccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000341592687 161000009 /nfs/dbraw/zinc/00/00/09/161000009.db2.gz XVTPUWSOTOSEIE-HNNXBMFYSA-N 2 0 345.487 2.479 10 0 EEAERP C[NH2+]CC1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000342718582 161085589 /nfs/dbraw/zinc/08/55/89/161085589.db2.gz FKOOINYBPFSVRT-UHFFFAOYSA-N 2 0 329.488 2.300 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000343574198 161148078 /nfs/dbraw/zinc/14/80/78/161148078.db2.gz CDHNHTLVYXEWRZ-UHFFFAOYSA-N 2 0 334.489 2.310 10 0 EEAERP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2csc(C)n2)CC1 ZINC000360611633 164350977 /nfs/dbraw/zinc/35/09/77/164350977.db2.gz FXFYIQWAYTYDFY-MRXNPFEDSA-N 2 0 336.505 2.189 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171611591 227173150 /nfs/dbraw/zinc/17/31/50/227173150.db2.gz OLLPAZYKXPCDIK-LJQANCHMSA-N 2 0 329.488 2.150 10 0 EEAERP Cc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cn2c1 ZINC000171631209 227184990 /nfs/dbraw/zinc/18/49/90/227184990.db2.gz ILVGSCAWCQFFPN-INIZCTEOSA-N 2 0 330.476 2.167 10 0 EEAERP Cc1cccn2cc(CNC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)nc12 ZINC000290816625 275242958 /nfs/dbraw/zinc/24/29/58/275242958.db2.gz OHHRAABNMDANKM-SFHVURJKSA-N 2 0 332.423 2.471 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000354108826 276100318 /nfs/dbraw/zinc/10/03/18/276100318.db2.gz XITUODJCHGEHKA-QGZVFWFLSA-N 2 0 334.460 2.391 10 0 EEAERP CCOC(C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCC ZINC000184962649 276307260 /nfs/dbraw/zinc/30/72/60/276307260.db2.gz NILLPCPDUDFCJD-IYBDPMFKSA-N 2 0 328.497 2.207 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000176440112 276368565 /nfs/dbraw/zinc/36/85/65/276368565.db2.gz UATSLHDLDGHXOK-OAHLLOKOSA-N 2 0 338.521 2.306 10 0 EEAERP CC(CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725081 278156190 /nfs/dbraw/zinc/15/61/90/278156190.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 2 0 338.584 2.452 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170826998 279136922 /nfs/dbraw/zinc/13/69/22/279136922.db2.gz OZZZUVKINUOXRO-SFHVURJKSA-N 2 0 332.492 2.374 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000183094694 279256658 /nfs/dbraw/zinc/25/66/58/279256658.db2.gz WMMFKOUYVGREBH-MSOLQXFVSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000247290486 288308020 /nfs/dbraw/zinc/30/80/20/288308020.db2.gz GXENNUFJCMDAEM-QAPCUYQASA-N 2 0 334.508 2.272 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000422792664 289879331 /nfs/dbraw/zinc/87/93/31/289879331.db2.gz RILOMWJEXFNHOI-SLFFLAALSA-N 3 0 348.579 2.447 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000366374815 295603483 /nfs/dbraw/zinc/60/34/83/295603483.db2.gz DUUBUMSGTWADKR-ADKAHSJRSA-N 2 0 334.508 2.273 10 0 EEAERP C[NH+]1CCN(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166027666 311391024 /nfs/dbraw/zinc/39/10/24/311391024.db2.gz ZCXHEDDBHOCKSP-ICSRJNTNSA-N 2 0 331.504 2.381 10 0 EEAERP COCC(COC)[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000413472129 312868166 /nfs/dbraw/zinc/86/81/66/312868166.db2.gz GOMIRDPBVVQKOY-UHFFFAOYSA-N 2 0 329.444 2.327 10 0 EEAERP CC1=C[C@H](C)C[C@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000414476947 313031566 /nfs/dbraw/zinc/03/15/66/313031566.db2.gz AQFDNSLAQGYALH-HKUYNNGSSA-N 2 0 335.536 2.365 10 0 EEAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000414700226 313066896 /nfs/dbraw/zinc/06/68/96/313066896.db2.gz JGHJQDQMJPRYSK-BRWVUGGUSA-N 2 0 330.476 2.429 10 0 EEAERP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416881879 313346800 /nfs/dbraw/zinc/34/68/00/313346800.db2.gz ABSHJNVVBVNIAA-QAPCUYQASA-N 2 0 330.476 2.161 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000416883987 313348342 /nfs/dbraw/zinc/34/83/42/313348342.db2.gz CJQQRGCSNMQMOM-QAPCUYQASA-N 2 0 332.492 2.326 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000416891366 313350934 /nfs/dbraw/zinc/35/09/34/313350934.db2.gz URAINESFTDLHFP-YJBOKZPZSA-N 2 0 332.492 2.326 10 0 EEAERP [NH3+]C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000416891862 313351575 /nfs/dbraw/zinc/35/15/75/313351575.db2.gz AARKLQBSTIUMCI-GOSISDBHSA-N 2 0 330.476 2.209 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCCO1 ZINC000527955556 317292301 /nfs/dbraw/zinc/29/23/01/317292301.db2.gz MNTNNFPYGAZWHE-ONUIULTDSA-N 2 0 344.499 2.417 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000557135368 318670753 /nfs/dbraw/zinc/67/07/53/318670753.db2.gz AFRLHKZJQZMXOW-KFWWJZLASA-N 2 0 336.505 2.182 10 0 EEAERP NCC(F)(F)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000576236668 320153868 /nfs/dbraw/zinc/15/38/68/320153868.db2.gz ZNJQCKRKNSYWOV-GFCCVEGCSA-N 2 0 331.432 2.060 10 0 EEAERP CO[C@H]1C[C@@H]([NH+](C)Cc2cncc(C[N@@H+](C)[C@H]3C[C@@H](OC)C3)c2)C1 ZINC000576701231 320196683 /nfs/dbraw/zinc/19/66/83/320196683.db2.gz VPNZQGFZSWEOFC-FNCFJJJESA-N 2 0 333.476 2.300 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000578246746 320303985 /nfs/dbraw/zinc/30/39/85/320303985.db2.gz ZUQUNFHGXYQTOQ-VQIMIIECSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000580640848 324102701 /nfs/dbraw/zinc/10/27/01/324102701.db2.gz DUNICEAWEBSCDL-LJQANCHMSA-N 2 0 328.456 2.320 10 0 EEAERP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C[NH+](C)C)nc2)cc1 ZINC000339267136 465176296 /nfs/dbraw/zinc/17/62/96/465176296.db2.gz WUWIAVDZQDUUFQ-UHFFFAOYSA-N 2 0 342.443 2.336 10 0 EEAERP O=C(NCCCC[NH+]1CCOCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000062261331 462612051 /nfs/dbraw/zinc/61/20/51/462612051.db2.gz HFVNNHYVBCDDFV-UHFFFAOYSA-N 2 0 345.487 2.125 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046372332 462674869 /nfs/dbraw/zinc/67/48/69/462674869.db2.gz DKCFAKFRZWDQHH-MRXNPFEDSA-N 2 0 332.492 2.422 10 0 EEAERP [NH3+]CCCCCC[NH+](CCCCCC[NH3+])[C@@H]1CSCCC1=O ZINC000013799497 462903879 /nfs/dbraw/zinc/90/38/79/462903879.db2.gz HIUWIBPKSJERJX-MRXNPFEDSA-N 3 0 329.554 2.401 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000069505352 463262594 /nfs/dbraw/zinc/26/25/94/463262594.db2.gz QEJQTJOWAAAEAG-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000553327852 468361116 /nfs/dbraw/zinc/36/11/16/468361116.db2.gz UHMRCSNFAACLFR-KRWDZBQOSA-N 2 0 347.503 2.365 10 0 EEAERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248692 463500695 /nfs/dbraw/zinc/50/06/95/463500695.db2.gz VMLMGPTVIOIEMP-PKOBYXMFSA-N 2 0 349.519 2.124 10 0 EEAERP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276692 463505821 /nfs/dbraw/zinc/50/58/21/463505821.db2.gz IUEKWMPKAJDMOD-IEBWSBKVSA-N 2 0 349.519 2.124 10 0 EEAERP COc1ccccc1C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)C ZINC000162576531 463522106 /nfs/dbraw/zinc/52/21/06/463522106.db2.gz IUKSAFUYJZDSLV-IBGZPJMESA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170835378 463719150 /nfs/dbraw/zinc/71/91/50/463719150.db2.gz AZUORVSRQMFUAK-OALUTQOASA-N 2 0 344.503 2.477 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC[N@@H+]1C ZINC000177928744 463815531 /nfs/dbraw/zinc/81/55/31/463815531.db2.gz BWTMMCDXODIJMZ-APWZRJJASA-N 2 0 325.456 2.469 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nccn1CC(C)C ZINC000175475170 464557760 /nfs/dbraw/zinc/55/77/60/464557760.db2.gz CXNREOWINBEJJH-HZPDHXFCSA-N 2 0 333.480 2.307 10 0 EEAERP C[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1CC(C)(C)O ZINC000189884311 464560145 /nfs/dbraw/zinc/56/01/45/464560145.db2.gz MBUJIJGMCCFZSR-INIZCTEOSA-N 2 0 337.483 2.035 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccs1 ZINC000246386667 464578892 /nfs/dbraw/zinc/57/88/92/464578892.db2.gz IALCVSPMQLIQFS-LSDHHAIUSA-N 2 0 336.505 2.231 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000246424782 464583179 /nfs/dbraw/zinc/58/31/79/464583179.db2.gz MDLVRZBBGIIRCL-KURKYZTESA-N 2 0 338.540 2.479 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000175956745 464667657 /nfs/dbraw/zinc/66/76/57/464667657.db2.gz QEPUQLBBBCNDOH-ZWKOTPCHSA-N 2 0 336.524 2.377 10 0 EEAERP CCC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231227 464890073 /nfs/dbraw/zinc/89/00/73/464890073.db2.gz RVBSRXJDOGOTKZ-RTBURBONSA-N 2 0 347.503 2.124 10 0 EEAERP C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348224936 465498190 /nfs/dbraw/zinc/49/81/90/465498190.db2.gz ZRIZBUOALRVOFC-LPHOPBHVSA-N 2 0 343.471 2.449 10 0 EEAERP CC(C)C[C@H]([NH2+]CC1Cc2ccccc2C1)C(=O)NCC[NH+](C)C ZINC000579900495 468428827 /nfs/dbraw/zinc/42/88/27/468428827.db2.gz IBYVDWOBZPDUTB-IBGZPJMESA-N 2 0 331.504 2.084 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000352347615 465517630 /nfs/dbraw/zinc/51/76/30/465517630.db2.gz QIBOHNDJGHDNMN-WMZOPIPTSA-N 2 0 332.492 2.290 10 0 EEAERP CCC1(CC)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCS1 ZINC000362244416 465600849 /nfs/dbraw/zinc/60/08/49/465600849.db2.gz BFVJVXLOCRJMDJ-UHFFFAOYSA-N 2 0 339.549 2.337 10 0 EEAERP CN(C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340302736 465971296 /nfs/dbraw/zinc/97/12/96/465971296.db2.gz KCWAKJDYHCPKMJ-GBESFXJTSA-N 2 0 342.487 2.310 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000594132629 468493495 /nfs/dbraw/zinc/49/34/95/468493495.db2.gz BGWDZULXZIWOGC-IAGOWNOFSA-N 2 0 345.491 2.176 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957965 466688239 /nfs/dbraw/zinc/68/82/39/466688239.db2.gz WIAODMXUWVUQNY-WBVHZDCISA-N 2 0 334.460 2.285 10 0 EEAERP C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423250377 466703876 /nfs/dbraw/zinc/70/38/76/466703876.db2.gz UXFMYACHXLFUPT-KBXCAEBGSA-N 2 0 347.484 2.288 10 0 EEAERP C[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000417027401 466759135 /nfs/dbraw/zinc/75/91/35/466759135.db2.gz ZSHZMUNLLQDJHF-ZWKOTPCHSA-N 2 0 346.519 2.320 10 0 EEAERP O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662252210 472042559 /nfs/dbraw/zinc/04/25/59/472042559.db2.gz MGTQHDPGQWYWSB-HXUWFJFHSA-N 2 0 335.451 2.396 10 0 EEAERP O=C(c1ccoc1)N1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000373492558 466821857 /nfs/dbraw/zinc/82/18/57/466821857.db2.gz FLDHVCPYXKEKEJ-UHFFFAOYSA-N 2 0 331.460 2.491 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000370284382 466824159 /nfs/dbraw/zinc/82/41/59/466824159.db2.gz BZBVMXPCNKTTHO-IBGZPJMESA-N 2 0 342.487 2.313 10 0 EEAERP C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000417590439 466889213 /nfs/dbraw/zinc/88/92/13/466889213.db2.gz RFRQZTILDIBXGY-PXNSSMCTSA-N 2 0 344.503 2.292 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417812141 466943075 /nfs/dbraw/zinc/94/30/75/466943075.db2.gz PFAZCMQGMOJSIM-MAUKXSAKSA-N 2 0 334.508 2.177 10 0 EEAERP CCN1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004295 467018773 /nfs/dbraw/zinc/01/87/73/467018773.db2.gz YVHFPAIAPUMSSO-LKTVYLICSA-N 2 0 342.846 2.261 10 0 EEAERP C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H](C)[NH3+] ZINC000418030276 467028585 /nfs/dbraw/zinc/02/85/85/467028585.db2.gz JJNBKNCIOLJVPL-WDMOLILDSA-N 2 0 346.397 2.343 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000418055750 467035135 /nfs/dbraw/zinc/03/51/35/467035135.db2.gz JFJVFPODGLUAFB-LJQANCHMSA-N 2 0 340.471 2.290 10 0 EEAERP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000377128023 467036492 /nfs/dbraw/zinc/03/64/92/467036492.db2.gz NXKQOZKHHAGTJD-IPMKNSEASA-N 2 0 331.460 2.486 10 0 EEAERP CCC[NH+]1CCC(N(C)C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418331880 467093627 /nfs/dbraw/zinc/09/36/27/467093627.db2.gz SBHUKVUGRFGZHU-UHFFFAOYSA-N 2 0 347.507 2.077 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379808119 467371302 /nfs/dbraw/zinc/37/13/02/467371302.db2.gz OLPGBBKVJQGJLQ-YTQUADARSA-N 2 0 329.488 2.403 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407352473 467483669 /nfs/dbraw/zinc/48/36/69/467483669.db2.gz CFDPLJDFCPSAPD-FHWLQOOXSA-N 2 0 327.472 2.298 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415197302 467516525 /nfs/dbraw/zinc/51/65/25/467516525.db2.gz AQMBJWPNEIHPRZ-CABCVRRESA-N 2 0 334.464 2.055 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000457911057 467727448 /nfs/dbraw/zinc/72/74/48/467727448.db2.gz KQOYVSFJLNNZAZ-RTBURBONSA-N 2 0 346.519 2.285 10 0 EEAERP CCc1cc(CCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000450640948 467884737 /nfs/dbraw/zinc/88/47/37/467884737.db2.gz HKJKHXPKPZYUQD-LPHOPBHVSA-N 2 0 334.508 2.127 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000515289121 467982562 /nfs/dbraw/zinc/98/25/62/467982562.db2.gz ZAVDATVESFWGMO-UHFFFAOYSA-N 2 0 328.460 2.197 10 0 EEAERP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000516200467 468019163 /nfs/dbraw/zinc/01/91/63/468019163.db2.gz KFQKXRJIXCDNME-KURKYZTESA-N 2 0 331.460 2.234 10 0 EEAERP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000519699804 468196142 /nfs/dbraw/zinc/19/61/42/468196142.db2.gz MXLAIDMDLPQFNW-STQMWFEESA-N 2 0 335.835 2.258 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000594495357 468609191 /nfs/dbraw/zinc/60/91/91/468609191.db2.gz RBIWEEFKFWFHEV-BEFAXECRSA-N 2 0 345.487 2.076 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000570617969 468665745 /nfs/dbraw/zinc/66/57/45/468665745.db2.gz FJMDHXDVXMGGLX-NBMJBFSESA-N 2 0 344.503 2.194 10 0 EEAERP CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000570859953 468705778 /nfs/dbraw/zinc/70/57/78/468705778.db2.gz PZEIEQJVQFTGEI-RLLQIKCJSA-N 2 0 333.520 2.456 10 0 EEAERP C[C@H](CSCCF)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000595010136 468742655 /nfs/dbraw/zinc/74/26/55/468742655.db2.gz BWVIQFLYYJNNCH-CQSZACIVSA-N 2 0 347.544 2.294 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000583884979 468770709 /nfs/dbraw/zinc/77/07/09/468770709.db2.gz VXPSNXBMBNPIEB-IBGZPJMESA-N 2 0 346.519 2.190 10 0 EEAERP CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000571410915 468785767 /nfs/dbraw/zinc/78/57/67/468785767.db2.gz LRLGITAFEDPRLV-KRWDZBQOSA-N 2 0 329.488 2.317 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573134522 469068342 /nfs/dbraw/zinc/06/83/42/469068342.db2.gz MCZVSVOJNITFLN-MJGOQNOKSA-N 2 0 329.488 2.499 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000615182554 469173190 /nfs/dbraw/zinc/17/31/90/469173190.db2.gz KMVRCICYOHMFHD-ZCNNSNEGSA-N 2 0 341.499 2.104 10 0 EEAERP O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)N(Cc1ccccc1)C1CC1 ZINC000574084574 469257413 /nfs/dbraw/zinc/25/74/13/469257413.db2.gz ODJITMJTLHAQOD-HXUWFJFHSA-N 2 0 327.472 2.253 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)CC[NH2+]CC1 ZINC000596651877 469321951 /nfs/dbraw/zinc/32/19/51/469321951.db2.gz OMMNNZQFELCVNH-CQSZACIVSA-N 2 0 348.491 2.099 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000618546196 469383984 /nfs/dbraw/zinc/38/39/84/469383984.db2.gz CKZPJKSLMLHMLI-ZWKOTPCHSA-N 2 0 330.476 2.217 10 0 EEAERP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622304369 469426550 /nfs/dbraw/zinc/42/65/50/469426550.db2.gz FXRJWGPCNPHREP-UHFFFAOYSA-N 2 0 342.443 2.466 10 0 EEAERP [NH3+]CCCOCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000629398536 469530666 /nfs/dbraw/zinc/53/06/66/469530666.db2.gz DYXMPYPACLIHCJ-UHFFFAOYSA-N 2 0 325.884 2.259 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629515755 469571037 /nfs/dbraw/zinc/57/10/37/469571037.db2.gz WMCNYIMRYHYXSS-GZBFAFLISA-N 2 0 332.366 2.265 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629524410 469572995 /nfs/dbraw/zinc/57/29/95/469572995.db2.gz QZXKEGHXUCVANE-JTNHKYCSSA-N 2 0 340.265 2.330 10 0 EEAERP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629677124 469604475 /nfs/dbraw/zinc/60/44/75/469604475.db2.gz CAPCXCOPTZCUQB-UHFFFAOYSA-N 2 0 338.402 2.222 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000619900052 469706772 /nfs/dbraw/zinc/70/67/72/469706772.db2.gz RLBWALOZHJPAGS-QGZVFWFLSA-N 2 0 330.476 2.207 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000626916704 469754014 /nfs/dbraw/zinc/75/40/14/469754014.db2.gz OMWRJKYJRTURTG-NXHRZFHOSA-N 2 0 330.476 2.263 10 0 EEAERP CC(C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000626934484 469760710 /nfs/dbraw/zinc/76/07/10/469760710.db2.gz ZXEKMCPQZKCCMK-IRXDYDNUSA-N 2 0 336.524 2.327 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623853332 469779745 /nfs/dbraw/zinc/77/97/45/469779745.db2.gz UOTTUQYOKLTMDS-QUCCMNQESA-N 2 0 331.504 2.351 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[NH2+]1 ZINC000626992248 469780384 /nfs/dbraw/zinc/78/03/84/469780384.db2.gz RQVUKNHVMDRYBE-KCXAZCMYSA-N 2 0 338.883 2.382 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000626994822 469781170 /nfs/dbraw/zinc/78/11/70/469781170.db2.gz KIETVAQPOMWMAM-XGXHKWSGSA-N 2 0 344.503 2.479 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000627033418 469796987 /nfs/dbraw/zinc/79/69/87/469796987.db2.gz IZUPUCSEWWCTDV-HPFXQQBRSA-N 2 0 332.492 2.426 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627167077 469832269 /nfs/dbraw/zinc/83/22/69/469832269.db2.gz VQWFELMTPSTOFZ-NZSAHSFTSA-N 2 0 344.503 2.433 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627197767 469841596 /nfs/dbraw/zinc/84/15/96/469841596.db2.gz NVGAVQBSNQWKEM-YJBOKZPZSA-N 2 0 332.492 2.420 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624132614 469851131 /nfs/dbraw/zinc/85/11/31/469851131.db2.gz UPZHUAOAROKKPX-IEWDOMPSSA-N 2 0 327.472 2.141 10 0 EEAERP C[C@]1(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCCS1 ZINC000628210444 470076619 /nfs/dbraw/zinc/07/66/19/470076619.db2.gz XOROLWCPGJWWKQ-GOSISDBHSA-N 2 0 334.533 2.469 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC[N@@H+]1C ZINC000631805594 470184881 /nfs/dbraw/zinc/18/48/81/470184881.db2.gz QTKUDCKZXKDAPR-OWCLPIDISA-N 2 0 331.460 2.073 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000633336957 470429388 /nfs/dbraw/zinc/42/93/88/470429388.db2.gz CGZUBLUEIJRJRV-CALCHBBNSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(C[NH+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000646144356 470542651 /nfs/dbraw/zinc/54/26/51/470542651.db2.gz NUAJNZHRPGUHNB-NFQUHZNNSA-N 2 0 332.488 2.377 10 0 EEAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649332830 470548597 /nfs/dbraw/zinc/54/85/97/470548597.db2.gz LACPZJACOXGDNH-SEPJDSBXSA-N 2 0 325.456 2.049 10 0 EEAERP COCCC1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649332334 470548744 /nfs/dbraw/zinc/54/87/44/470548744.db2.gz UCFZKMDEDDCXQW-KRWDZBQOSA-N 2 0 347.503 2.029 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000646190768 470560624 /nfs/dbraw/zinc/56/06/24/470560624.db2.gz AARATEBDSATAIN-OALUTQOASA-N 2 0 338.455 2.390 10 0 EEAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000649373404 470564034 /nfs/dbraw/zinc/56/40/34/470564034.db2.gz YFILRHGLVUAIQU-ROUUACIJSA-N 2 0 342.487 2.085 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000633803775 470597434 /nfs/dbraw/zinc/59/74/34/470597434.db2.gz PIGRUKOFAKGIMH-LMMKCTJWSA-N 2 0 329.488 2.213 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647288147 470877107 /nfs/dbraw/zinc/87/71/07/470877107.db2.gz OIQITGQNHFIXNI-MRXNPFEDSA-N 2 0 333.524 2.144 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000650714625 470948478 /nfs/dbraw/zinc/94/84/78/470948478.db2.gz SSCPIBKCIPIBIB-UYAOXDASSA-N 2 0 341.455 2.456 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000654486487 471037554 /nfs/dbraw/zinc/03/75/54/471037554.db2.gz SEGWCYFMELDFSR-YSHGAJCASA-N 2 0 344.503 2.289 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654518873 471052157 /nfs/dbraw/zinc/05/21/57/471052157.db2.gz INUBUJLHXHNHAX-NXHRZFHOSA-N 2 0 332.492 2.146 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000651196929 471085665 /nfs/dbraw/zinc/08/56/65/471085665.db2.gz RIYDCBPABGLYID-OAHLLOKOSA-N 2 0 335.496 2.491 10 0 EEAERP C[NH+]1CCN(c2ccc(NCc3ccnn3-c3cc[nH+]cc3)nc2)CC1 ZINC000657322405 471097893 /nfs/dbraw/zinc/09/78/93/471097893.db2.gz ODGOWZQKHPWHLT-UHFFFAOYSA-N 2 0 349.442 2.026 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cc2ccncc2s1)C(=O)NCC[NH+](C)C ZINC000657419852 471131696 /nfs/dbraw/zinc/13/16/96/471131696.db2.gz PWEMZZLDANTZJI-INIZCTEOSA-N 2 0 348.516 2.478 10 0 EEAERP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000657543662 471166164 /nfs/dbraw/zinc/16/61/64/471166164.db2.gz MXVFPFVIYNEFOQ-QUCCMNQESA-N 2 0 348.487 2.302 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000654851978 471203023 /nfs/dbraw/zinc/20/30/23/471203023.db2.gz NSOXJSLDWSOWJY-ZWKOTPCHSA-N 2 0 329.488 2.451 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657835090 471239740 /nfs/dbraw/zinc/23/97/40/471239740.db2.gz OAPCOWIBMFBBLE-HXUWFJFHSA-N 2 0 343.515 2.496 10 0 EEAERP Cc1c2cccc(C)c2oc1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000652358602 471279006 /nfs/dbraw/zinc/27/90/06/471279006.db2.gz WLCRTWOEEQSPTR-UHFFFAOYSA-N 2 0 329.444 2.303 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2CCC[NH+](C)C2)CCC1 ZINC000652417913 471288810 /nfs/dbraw/zinc/28/88/10/471288810.db2.gz LCOHMSARGHETKJ-GOSISDBHSA-N 2 0 344.503 2.435 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000663505045 471403726 /nfs/dbraw/zinc/40/37/26/471403726.db2.gz GWINVOSYZZKPPV-QZTJIDSGSA-N 2 0 334.483 2.090 10 0 EEAERP c1cn2c(n1)[C@H](NCc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000655684129 471442129 /nfs/dbraw/zinc/44/21/29/471442129.db2.gz XUCOYDMCUQIFGH-GOSISDBHSA-N 2 0 326.444 2.340 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663628826 471452482 /nfs/dbraw/zinc/45/24/82/471452482.db2.gz OOVNPXWRYVYROB-HZPDHXFCSA-N 2 0 338.521 2.477 10 0 EEAERP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CS1 ZINC000655730897 471458399 /nfs/dbraw/zinc/45/83/99/471458399.db2.gz VSVOCTNAAWDRRF-RHSMWYFYSA-N 2 0 335.517 2.352 10 0 EEAERP C[NH+]1CCC(C)(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659038584 471481433 /nfs/dbraw/zinc/48/14/33/471481433.db2.gz SWYVCSQBMKNGHG-QGZVFWFLSA-N 2 0 346.475 2.201 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C[C@H]1C ZINC000659040024 471482854 /nfs/dbraw/zinc/48/28/54/471482854.db2.gz MILHOAZVKSCZFJ-VKJFTORMSA-N 2 0 346.475 2.294 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659045021 471486296 /nfs/dbraw/zinc/48/62/96/471486296.db2.gz UHVRMAVMQINCRX-MAUKXSAKSA-N 2 0 346.475 2.296 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000660903032 471544677 /nfs/dbraw/zinc/54/46/77/471544677.db2.gz MXRWNFLNAOHACF-XUVXKRRUSA-N 2 0 334.504 2.146 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655961894 471558069 /nfs/dbraw/zinc/55/80/69/471558069.db2.gz BUYRSXMKNJTJSL-FHLIZLRMSA-N 2 0 332.492 2.449 10 0 EEAERP [NH3+][C@H](CCC(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653266785 471559508 /nfs/dbraw/zinc/55/95/08/471559508.db2.gz FPMAAQOVSNAAOI-YRXWBPOGSA-N 2 0 345.487 2.354 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659437640 471627930 /nfs/dbraw/zinc/62/79/30/471627930.db2.gz GBEFAXNMBZOMPA-ZWKOTPCHSA-N 2 0 332.492 2.324 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000667148755 471671463 /nfs/dbraw/zinc/67/14/63/471671463.db2.gz WIKKHKMSPMZJII-HNNXBMFYSA-N 2 0 340.431 2.121 10 0 EEAERP CO[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCC1 ZINC000660128046 471873416 /nfs/dbraw/zinc/87/34/16/471873416.db2.gz IJTDQZDUJBKVJC-JIRNRHONSA-N 2 0 335.536 2.434 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654408046 471947320 /nfs/dbraw/zinc/94/73/20/471947320.db2.gz SKNNGXJUXYUICL-XHSDSOJGSA-N 2 0 336.480 2.302 10 0 EEAERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cn1 ZINC000665287856 471990665 /nfs/dbraw/zinc/99/06/65/471990665.db2.gz WRCYBNDZFFBPBI-INIZCTEOSA-N 2 0 336.455 2.252 10 0 EEAERP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255294 472044295 /nfs/dbraw/zinc/04/42/95/472044295.db2.gz BUHMUGNHYKCYEV-HOCLYGCPSA-N 2 0 330.428 2.116 10 0 EEAERP Fc1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCOCC2)cc1 ZINC000662279143 472054892 /nfs/dbraw/zinc/05/48/92/472054892.db2.gz RGPWKKBMUNXOLC-SFHVURJKSA-N 2 0 334.435 2.328 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000668330681 472088157 /nfs/dbraw/zinc/08/81/57/472088157.db2.gz XERJMZVVNIMCQB-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000665640108 472120287 /nfs/dbraw/zinc/12/02/87/472120287.db2.gz NMFSAKXIUPRZPC-HKUYNNGSSA-N 2 0 346.519 2.458 10 0 EEAERP COc1cccc([C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)[NH+](C)C)c1 ZINC000662662556 472192489 /nfs/dbraw/zinc/19/24/89/472192489.db2.gz GYJKFGVMFPDGHT-QGZVFWFLSA-N 2 0 331.460 2.089 10 0 EEAERP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000683551497 485569970 /nfs/dbraw/zinc/56/99/70/485569970.db2.gz HSEJRMSTIJOJNQ-UHFFFAOYSA-N 2 0 340.431 2.263 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000431738190 485709693 /nfs/dbraw/zinc/70/96/93/485709693.db2.gz BJBCUUGVNUJVAK-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542874 485730684 /nfs/dbraw/zinc/73/06/84/485730684.db2.gz OADCJISWPPQGSL-CGTJXYLNSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000680468339 485979116 /nfs/dbraw/zinc/97/91/16/485979116.db2.gz REHXHHLGVJBAQC-CQSZACIVSA-N 2 0 342.447 2.461 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)c2ccc(F)cc2)CC1 ZINC000179691413 534077460 /nfs/dbraw/zinc/07/74/60/534077460.db2.gz ZQFXETHYJXTAMD-HNNXBMFYSA-N 2 0 336.451 2.423 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339910930 517906324 /nfs/dbraw/zinc/90/63/24/517906324.db2.gz CDJQZPQFXZHSRP-LJQANCHMSA-N 2 0 346.519 2.143 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000416126840 534417397 /nfs/dbraw/zinc/41/73/97/534417397.db2.gz BYRYDZAYKDLXNM-INIZCTEOSA-N 2 0 327.472 2.035 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730736515 577052821 /nfs/dbraw/zinc/05/28/21/577052821.db2.gz UQHSPFKZDUKFPX-SJORKVTESA-N 2 0 338.565 2.296 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000765426517 577500824 /nfs/dbraw/zinc/50/08/24/577500824.db2.gz FLSNZDWYOVBBCA-KGLIPLIRSA-N 2 0 339.505 2.439 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914410949 683567632 /nfs/dbraw/zinc/56/76/32/683567632.db2.gz CHKYKBRXWPJTTJ-RDJZCZTQSA-N 2 0 335.496 2.104 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000895755326 684712155 /nfs/dbraw/zinc/71/21/55/684712155.db2.gz HHUMXBAIJOHPHN-VJANTYMQSA-N 2 0 327.472 2.422 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000896621822 685130849 /nfs/dbraw/zinc/13/08/49/685130849.db2.gz AJRIQUQMSWTCKA-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001485526628 1191826177 /nfs/dbraw/zinc/82/61/77/1191826177.db2.gz PYUJTDVBPIAAEC-GDBMZVCRSA-N 2 0 347.478 2.412 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccn1 ZINC001485750878 1191931656 /nfs/dbraw/zinc/93/16/56/1191931656.db2.gz DDQLVQVUNWFHDG-FUHWJXTLSA-N 2 0 332.492 2.331 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001670555715 1176899163 /nfs/dbraw/zinc/89/91/63/1176899163.db2.gz CVPRCTHXNULZLI-UXHICEINSA-N 2 0 343.515 2.228 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001266825930 1177498554 /nfs/dbraw/zinc/49/85/54/1177498554.db2.gz LSGASGLSBHEKIK-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001691079152 1177539233 /nfs/dbraw/zinc/53/92/33/1177539233.db2.gz IOIFAFGVEUJDTD-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470633 1179098595 /nfs/dbraw/zinc/09/85/95/1179098595.db2.gz YYDKBJUPBMCVKI-KRWDZBQOSA-N 2 0 331.504 2.484 10 0 EEAERP Cc1ccc2sc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)nc2c1 ZINC001267474787 1179109260 /nfs/dbraw/zinc/10/92/60/1179109260.db2.gz VFMZHDOUPWPJPE-UHFFFAOYSA-N 2 0 348.516 2.493 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001481154258 1179937408 /nfs/dbraw/zinc/93/74/08/1179937408.db2.gz QPKYORIJEUGALN-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001481252389 1180473874 /nfs/dbraw/zinc/47/38/74/1180473874.db2.gz SQMFJINXXYOHJZ-IBGZPJMESA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)OCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267946734 1180805808 /nfs/dbraw/zinc/80/58/08/1180805808.db2.gz ZHEAVLPHGCRLLB-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)CC1 ZINC001267962265 1180856394 /nfs/dbraw/zinc/85/63/94/1180856394.db2.gz AGIRKIBYBVENSD-QGZVFWFLSA-N 2 0 347.478 2.291 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001481297429 1180945483 /nfs/dbraw/zinc/94/54/83/1180945483.db2.gz OWGDGYFSRFSEOF-KRWDZBQOSA-N 2 0 339.430 2.342 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ccns1 ZINC001481354913 1181107053 /nfs/dbraw/zinc/10/70/53/1181107053.db2.gz NULXJUBUSWLPAU-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001268055336 1181612058 /nfs/dbraw/zinc/61/20/58/1181612058.db2.gz OPUPGRCRFPHFTK-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001268122327 1181770454 /nfs/dbraw/zinc/77/04/54/1181770454.db2.gz HIPVZCZFLKVYIN-NVXWUHKLSA-N 2 0 339.499 2.485 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001268133060 1181787791 /nfs/dbraw/zinc/78/77/91/1181787791.db2.gz IJORMHVXKAMMFN-KBXCAEBGSA-N 2 0 344.459 2.119 10 0 EEAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268154741 1181847139 /nfs/dbraw/zinc/84/71/39/1181847139.db2.gz DDGBZXOPQFNREC-KRWDZBQOSA-N 2 0 349.523 2.075 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)on1 ZINC001268161458 1181875077 /nfs/dbraw/zinc/87/50/77/1181875077.db2.gz BNQHOBAROQTHTH-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001481656731 1182145987 /nfs/dbraw/zinc/14/59/87/1182145987.db2.gz YJZLDXVFUIQUMV-CQSZACIVSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268391935 1182455941 /nfs/dbraw/zinc/45/59/41/1182455941.db2.gz FCEKHBMRYPMLES-LRDDRELGSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001268403966 1182516031 /nfs/dbraw/zinc/51/60/31/1182516031.db2.gz OOYSIORXYPJFKV-DLBZAZTESA-N 2 0 332.492 2.331 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268415346 1182573730 /nfs/dbraw/zinc/57/37/30/1182573730.db2.gz PPUCQIXGUWYUNW-CQSZACIVSA-N 2 0 335.879 2.420 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[NH+]1CCCC1 ZINC001268424841 1182595961 /nfs/dbraw/zinc/59/59/61/1182595961.db2.gz XQLFRBQBMYQFIG-HNNXBMFYSA-N 2 0 328.460 2.248 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458361 1182735895 /nfs/dbraw/zinc/73/58/95/1182735895.db2.gz LXHAHSKWBCLIQW-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268485527 1182959948 /nfs/dbraw/zinc/95/99/48/1182959948.db2.gz FMGABIKSJYHCPJ-CVEARBPZSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001481986337 1183090508 /nfs/dbraw/zinc/09/05/08/1183090508.db2.gz MQYHHRJJRVXYCW-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001481998548 1183106768 /nfs/dbraw/zinc/10/67/68/1183106768.db2.gz AMZRLAIHXHBNCK-LJQANCHMSA-N 2 0 333.520 2.347 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCCC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001482049773 1183239477 /nfs/dbraw/zinc/23/94/77/1183239477.db2.gz JTVSCKYSSFHSDZ-GOSISDBHSA-N 2 0 344.503 2.142 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001482055848 1183256137 /nfs/dbraw/zinc/25/61/37/1183256137.db2.gz JHXHPHHHMOVWKV-LPVIATNSSA-N 2 0 346.302 2.228 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001482158530 1183477016 /nfs/dbraw/zinc/47/70/16/1183477016.db2.gz FWHVSMCIEDJCNI-DLBZAZTESA-N 2 0 346.519 2.389 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001482167264 1183489556 /nfs/dbraw/zinc/48/95/56/1183489556.db2.gz CYJHRXFCVJDKTL-ZBFHGGJFSA-N 2 0 337.895 2.176 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001268768528 1183685758 /nfs/dbraw/zinc/68/57/58/1183685758.db2.gz YKYBZRZUTXKJFE-JDBPXVJJSA-N 2 0 327.900 2.488 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCOC ZINC001269189329 1184041430 /nfs/dbraw/zinc/04/14/30/1184041430.db2.gz SNANMGSTUYRBIT-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NC1(C[NH2+]CCCF)CCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001269558741 1184388841 /nfs/dbraw/zinc/38/88/41/1184388841.db2.gz GDOSODCWGVYBAI-JKSUJKDBSA-N 2 0 325.472 2.382 10 0 EEAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001269969610 1184755035 /nfs/dbraw/zinc/75/50/35/1184755035.db2.gz IVYZSTARLOINAG-OQNFGNQXSA-N 2 0 337.508 2.080 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1)[NH+](C)C ZINC001270293574 1184994182 /nfs/dbraw/zinc/99/41/82/1184994182.db2.gz WJXPUVOKPVFQKV-NVXWUHKLSA-N 2 0 337.533 2.457 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCCCF)CCCC2)CC1 ZINC001270786285 1185388324 /nfs/dbraw/zinc/38/83/24/1185388324.db2.gz WCSJCHQGZDZZNB-UHFFFAOYSA-N 2 0 327.488 2.487 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482330867 1185415069 /nfs/dbraw/zinc/41/50/69/1185415069.db2.gz MUMRMBJDOUOZAN-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP COCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001270826726 1185430648 /nfs/dbraw/zinc/43/06/48/1185430648.db2.gz VSJAZKIRPJDBFE-UHFFFAOYSA-N 2 0 333.476 2.027 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354844 1185493022 /nfs/dbraw/zinc/49/30/22/1185493022.db2.gz USRGAIQWHZICPF-YXGRLTDGSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482428604 1185686725 /nfs/dbraw/zinc/68/67/25/1185686725.db2.gz KHIWTCOPXTTWGA-YJBOKZPZSA-N 2 0 342.487 2.446 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2(C)CC[NH+](CCCCCF)CC2)C1 ZINC001270925725 1185745597 /nfs/dbraw/zinc/74/55/97/1185745597.db2.gz KJRRABSSZSXCDD-INIZCTEOSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091940 1185875464 /nfs/dbraw/zinc/87/54/64/1185875464.db2.gz HIUZSXLIBYFBJB-CGQZWFTASA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280364902 1185883158 /nfs/dbraw/zinc/88/31/58/1185883158.db2.gz HYGBSVWZYJOCLM-BZUAXINKSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001271898859 1186593743 /nfs/dbraw/zinc/59/37/43/1186593743.db2.gz YTHJOOOHRCWJLN-TVFCKZIOSA-N 2 0 339.499 2.389 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CCOC1)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001482607594 1187362899 /nfs/dbraw/zinc/36/28/99/1187362899.db2.gz HKJGEDZOXRHVQK-MRXNPFEDSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nccn1CC(=O)N(C)CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001482649635 1187480384 /nfs/dbraw/zinc/48/03/84/1187480384.db2.gz NHWMVKGYJCBBPS-CYBMUJFWSA-N 2 0 347.290 2.166 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272780600 1193495305 /nfs/dbraw/zinc/49/53/05/1193495305.db2.gz AWTTWABPQVFRFE-HDMKZQKVSA-N 2 0 335.467 2.459 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnc(C)s1 ZINC001482691456 1187665677 /nfs/dbraw/zinc/66/56/77/1187665677.db2.gz FMJMMQKZGFLECU-HOCLYGCPSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482864734 1187784853 /nfs/dbraw/zinc/78/48/53/1187784853.db2.gz CMIVFULYJFYEFQ-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001482867682 1187788683 /nfs/dbraw/zinc/78/86/83/1187788683.db2.gz KVRWDMRHGOKPEJ-HNNXBMFYSA-N 2 0 333.476 2.021 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889094 1187815399 /nfs/dbraw/zinc/81/53/99/1187815399.db2.gz BGNKPYIZHVAPHF-CQSZACIVSA-N 2 0 335.879 2.420 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482931537 1187852723 /nfs/dbraw/zinc/85/27/23/1187852723.db2.gz SZAIDUDQVWFIDP-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691549312 1188250566 /nfs/dbraw/zinc/25/05/66/1188250566.db2.gz QTWCZQDQXWRZFH-UHFFFAOYSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC001483050732 1188294733 /nfs/dbraw/zinc/29/47/33/1188294733.db2.gz KIQRJDVPLAGGEL-DKLOGILVSA-N 2 0 333.451 2.318 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001483054179 1188313714 /nfs/dbraw/zinc/31/37/14/1188313714.db2.gz KJUSKDFGSZOGOL-ARJAWSKDSA-N 2 0 333.451 2.238 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC001483093334 1188461824 /nfs/dbraw/zinc/46/18/24/1188461824.db2.gz PHIQXNMWEKPKFH-PYLYLYNFSA-N 2 0 337.414 2.384 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001272852860 1193576914 /nfs/dbraw/zinc/57/69/14/1193576914.db2.gz CDHXNJUFBZVVTC-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866534 1193583677 /nfs/dbraw/zinc/58/36/77/1193583677.db2.gz ZDKGUPAVKLTINW-LPHOPBHVSA-N 2 0 346.519 2.221 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCc3nccn3C2)c1 ZINC001272874559 1193587798 /nfs/dbraw/zinc/58/77/98/1193587798.db2.gz XANUQPPTRGYVET-AEFFLSMTSA-N 2 0 340.471 2.439 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)n1 ZINC001483156614 1188962147 /nfs/dbraw/zinc/96/21/47/1188962147.db2.gz PMIJXBDRPGWHQW-OAHLLOKOSA-N 2 0 332.492 2.167 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001409417404 1189650330 /nfs/dbraw/zinc/65/03/30/1189650330.db2.gz ILOWXCQSIJEDNV-IRXDYDNUSA-N 2 0 329.488 2.382 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474605 1189791800 /nfs/dbraw/zinc/79/18/00/1189791800.db2.gz PSGWMRPNBHOEDX-ZIAGYGMSSA-N 2 0 341.446 2.330 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001409628060 1190125696 /nfs/dbraw/zinc/12/56/96/1190125696.db2.gz DIWRKPLEOGEMRV-DLBZAZTESA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]Cc1cscn1)[NH+]1CCCCCC1 ZINC001483495840 1190511783 /nfs/dbraw/zinc/51/17/83/1190511783.db2.gz LOCVFHJDVLGANH-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483497983 1190514580 /nfs/dbraw/zinc/51/45/80/1190514580.db2.gz ICBGWEYHFARUMR-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)sn1 ZINC001483734142 1190847661 /nfs/dbraw/zinc/84/76/61/1190847661.db2.gz QCSWEYLRDSAQCP-HNNXBMFYSA-N 2 0 336.505 2.063 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)Cn2ccnc2)CC1)c1ccc(F)cc1F ZINC001483796136 1191027524 /nfs/dbraw/zinc/02/75/24/1191027524.db2.gz CGYBFZAAFSYNIH-LBPRGKRZSA-N 2 0 334.370 2.161 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483913145 1191114121 /nfs/dbraw/zinc/11/41/21/1191114121.db2.gz FQDRIISPCHWMAO-NVXWUHKLSA-N 2 0 348.491 2.328 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001483971544 1191131812 /nfs/dbraw/zinc/13/18/12/1191131812.db2.gz JBFUTDRYZCDZFZ-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCc2cccc(F)c2)C1 ZINC001484071357 1191192238 /nfs/dbraw/zinc/19/22/38/1191192238.db2.gz KOSREEVLGPZNEK-HXUWFJFHSA-N 2 0 347.478 2.435 10 0 EEAERP COCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484112973 1191213625 /nfs/dbraw/zinc/21/36/25/1191213625.db2.gz BYIOUWTXWZPCIX-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2cccnc2)CC1 ZINC001484146325 1191235091 /nfs/dbraw/zinc/23/50/91/1191235091.db2.gz BCBKHXYCTOLVRD-UHFFFAOYSA-N 2 0 332.492 2.140 10 0 EEAERP CC1CC(C[N@@H+]2CCC[C@@](C)(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001484171772 1191257859 /nfs/dbraw/zinc/25/78/59/1191257859.db2.gz AFWDNUFOYQCZFV-TVPLGVNVSA-N 2 0 333.520 2.347 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC(F)(F)C1)C2 ZINC001484318595 1191302623 /nfs/dbraw/zinc/30/26/23/1191302623.db2.gz PQDKWPMDTRNJQP-IMJJTQAJSA-N 2 0 343.462 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCOCC(C)C ZINC001484466769 1191370870 /nfs/dbraw/zinc/37/08/70/1191370870.db2.gz WCJNYTPMHTVMFQ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1ccnc1 ZINC001484467655 1191372381 /nfs/dbraw/zinc/37/23/81/1191372381.db2.gz MYTQIWIGPZPNPL-ZWKOTPCHSA-N 2 0 348.491 2.155 10 0 EEAERP COc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001484473317 1191378035 /nfs/dbraw/zinc/37/80/35/1191378035.db2.gz PQQYUTCLPWWXPH-PKOBYXMFSA-N 2 0 345.487 2.070 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001484581244 1191426299 /nfs/dbraw/zinc/42/62/99/1191426299.db2.gz CABAUGQJGDJVRD-UHFFFAOYSA-N 2 0 325.472 2.146 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001484619402 1191444382 /nfs/dbraw/zinc/44/43/82/1191444382.db2.gz TYPOCDRKBAGITA-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2C[NH+]1CC1CC1 ZINC001484822841 1191541034 /nfs/dbraw/zinc/54/10/34/1191541034.db2.gz IJDFWSXCXRQHGK-LJQANCHMSA-N 2 0 329.488 2.280 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC001484903914 1191569325 /nfs/dbraw/zinc/56/93/25/1191569325.db2.gz HUGYPLBOHPAZHO-KXBFYZLASA-N 2 0 346.519 2.367 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccccc1F ZINC001484905056 1191569665 /nfs/dbraw/zinc/56/96/65/1191569665.db2.gz MYMKKHUGSIFPHP-YJBOKZPZSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)s1 ZINC001484976999 1191596930 /nfs/dbraw/zinc/59/69/30/1191596930.db2.gz OWPUXXAJZSBOAM-WFASDCNBSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCOCC)C1 ZINC001485067732 1191635555 /nfs/dbraw/zinc/63/55/55/1191635555.db2.gz TXHNQLVUYDRFCZ-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001485095995 1191654167 /nfs/dbraw/zinc/65/41/67/1191654167.db2.gz LSHZQBKROZVDHP-MASNZOFBSA-N 2 0 334.291 2.274 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167139 1191677090 /nfs/dbraw/zinc/67/70/90/1191677090.db2.gz UNVXETFEMUPNLT-CHWSQXEVSA-N 2 0 336.505 2.063 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485196816 1191682098 /nfs/dbraw/zinc/68/20/98/1191682098.db2.gz YGWUTEZFPKDMQW-UONOGXRCSA-N 2 0 338.471 2.181 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001485193610 1191687706 /nfs/dbraw/zinc/68/77/06/1191687706.db2.gz IBDREAQDDGKDHQ-CHWSQXEVSA-N 2 0 326.510 2.104 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCOc1ccccc1 ZINC001485205460 1191692632 /nfs/dbraw/zinc/69/26/32/1191692632.db2.gz NZIQQJQOPSERRS-ZWKOTPCHSA-N 2 0 347.503 2.280 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCCC1CCOCC1 ZINC001485319173 1191732904 /nfs/dbraw/zinc/73/29/04/1191732904.db2.gz LGZKVNHFSSGOOA-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCOC2CCC2)CC3)CC1 ZINC001486149157 1193699952 /nfs/dbraw/zinc/69/99/52/1193699952.db2.gz OIBJYANPIZRBBD-FXAWDEMLSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001486160114 1193706250 /nfs/dbraw/zinc/70/62/50/1193706250.db2.gz GGANXGNAJHGXLN-BIYXSLEMSA-N 2 0 327.900 2.297 10 0 EEAERP COC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001486449148 1193963570 /nfs/dbraw/zinc/96/35/70/1193963570.db2.gz PWLRPFSQPIJBIZ-HOTGVXAUSA-N 2 0 341.540 2.216 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001486451915 1193967303 /nfs/dbraw/zinc/96/73/03/1193967303.db2.gz CBQWNKSDWXSKRJ-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001486465579 1193980621 /nfs/dbraw/zinc/98/06/21/1193980621.db2.gz AGCYYNQXWKNCRE-AQFXKWCLSA-N 2 0 348.491 2.245 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC001486489664 1194001210 /nfs/dbraw/zinc/00/12/10/1194001210.db2.gz SYIIAQYRGUCANE-UHFFFAOYSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](C/C=C/Cl)CC3)CC2)C1 ZINC001486491646 1194003337 /nfs/dbraw/zinc/00/33/37/1194003337.db2.gz VNNNQPGYEQCGJR-FTPZRKARSA-N 2 0 339.911 2.442 10 0 EEAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CC[C@@H]3CCCO3)CC2)CC1 ZINC001486518175 1194028051 /nfs/dbraw/zinc/02/80/51/1194028051.db2.gz PMJIIJJVKPPSDQ-IBGZPJMESA-N 2 0 349.519 2.036 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052293 1194357089 /nfs/dbraw/zinc/35/70/89/1194357089.db2.gz KJMBZOSJBVKJSC-MAUKXSAKSA-N 2 0 347.507 2.032 10 0 EEAERP CCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001273123592 1194407082 /nfs/dbraw/zinc/40/70/82/1194407082.db2.gz XJXAHLJABIUQKX-MRXNPFEDSA-N 2 0 329.488 2.329 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702054908 1195711632 /nfs/dbraw/zinc/71/16/32/1195711632.db2.gz CDQRSPRLUHMTIM-VNYTWHDVSA-N 2 0 341.499 2.355 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001493642771 1197271653 /nfs/dbraw/zinc/27/16/53/1197271653.db2.gz XTPXHEKFWLGVJM-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001410205916 1197602926 /nfs/dbraw/zinc/60/29/26/1197602926.db2.gz CKLTWBBTFGIHNX-RBSFLKMASA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001410310184 1197672986 /nfs/dbraw/zinc/67/29/86/1197672986.db2.gz KYWJVSDXCBMMSR-CJNGLKHVSA-N 2 0 343.462 2.200 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cnccc2C)CC[N@@H+]1C ZINC001410392016 1197792600 /nfs/dbraw/zinc/79/26/00/1197792600.db2.gz YHJCADYGEYWKFW-RYQLBKOJSA-N 2 0 332.492 2.057 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001410438805 1197897595 /nfs/dbraw/zinc/89/75/95/1197897595.db2.gz QGZDSFJEZLKCGT-INIZCTEOSA-N 2 0 347.503 2.111 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000872044840 1198033258 /nfs/dbraw/zinc/03/32/58/1198033258.db2.gz GCVLQSSWILEFII-OALUTQOASA-N 2 0 347.503 2.273 10 0 EEAERP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000872158507 1198063748 /nfs/dbraw/zinc/06/37/48/1198063748.db2.gz VZGTULVEEXLQFW-AEFFLSMTSA-N 2 0 342.549 2.431 10 0 EEAERP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208066 1198086752 /nfs/dbraw/zinc/08/67/52/1198086752.db2.gz BPQPTZRLBPMESC-RTBURBONSA-N 2 0 334.504 2.400 10 0 EEAERP CN(C[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000872229644 1198099784 /nfs/dbraw/zinc/09/97/84/1198099784.db2.gz RXKBHJMIYXWRGJ-CSLYMUCUSA-N 2 0 343.512 2.067 10 0 EEAERP CCSc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872257639 1198115021 /nfs/dbraw/zinc/11/50/21/1198115021.db2.gz ULFSIHMUITXIGD-UAGQMJEPSA-N 2 0 347.484 2.166 10 0 EEAERP C[NH+]1CCC(NC(=S)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865265104 1198146602 /nfs/dbraw/zinc/14/66/02/1198146602.db2.gz FPGWCEYHBDDIJO-KRWDZBQOSA-N 2 0 338.565 2.342 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001273323557 1198167300 /nfs/dbraw/zinc/16/73/00/1198167300.db2.gz PEGVKYOJZHWYIQ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc2c(ncnc2N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000866012084 1198454359 /nfs/dbraw/zinc/45/43/59/1198454359.db2.gz PUZQHAHAEVJTII-ZIAGYGMSSA-N 2 0 333.505 2.175 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)C[C@@H]1C ZINC001410837395 1198481085 /nfs/dbraw/zinc/48/10/85/1198481085.db2.gz BFAGRJIYNFHDEY-RDJZCZTQSA-N 2 0 335.467 2.287 10 0 EEAERP C[NH+]1CCC(C(=O)NCC[C@@H](Cc2ccccc2)[NH2+]CCF)CC1 ZINC001410926460 1198590369 /nfs/dbraw/zinc/59/03/69/1198590369.db2.gz GZALVGPLYMGFGT-SFHVURJKSA-N 2 0 335.467 2.005 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@H](CNCc2ccon2)C(C)(C)C)CC[N@@H+]1C ZINC001411221927 1198932676 /nfs/dbraw/zinc/93/26/76/1198932676.db2.gz UAZYHOIQFUPRHZ-DZKIICNBSA-N 2 0 336.480 2.025 10 0 EEAERP C[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875521722 1199281926 /nfs/dbraw/zinc/28/19/26/1199281926.db2.gz PFDBKLKQLUYCRX-TVFCKZIOSA-N 2 0 338.540 2.336 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(C(F)(F)F)CCCC2)C[C@H]1C[NH+](C)C ZINC000870016793 1200409644 /nfs/dbraw/zinc/40/96/44/1200409644.db2.gz ABEGFUXEGDUTLH-ZIAGYGMSSA-N 2 0 349.441 2.307 10 0 EEAERP Cc1cc2ccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cn2c1 ZINC000870018838 1200410840 /nfs/dbraw/zinc/41/08/40/1200410840.db2.gz HMKQNKIENAMUQY-QZTJIDSGSA-N 2 0 342.487 2.059 10 0 EEAERP Cc1cc(Cl)cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870020285 1200410966 /nfs/dbraw/zinc/41/09/66/1200410966.db2.gz KMLMTTYUTHCMMG-HZPDHXFCSA-N 2 0 337.895 2.460 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000870876333 1200925403 /nfs/dbraw/zinc/92/54/03/1200925403.db2.gz LEHMIAJDUYPZEJ-BASYENTBSA-N 2 0 333.501 2.204 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868103092 1201743861 /nfs/dbraw/zinc/74/38/61/1201743861.db2.gz OOEFMVLKZBBQJO-FGTMMUONSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868661349 1201854805 /nfs/dbraw/zinc/85/48/05/1201854805.db2.gz KZIYBQIJYNFPJR-BZSNNMDCSA-N 2 0 336.524 2.233 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001273979770 1202184353 /nfs/dbraw/zinc/18/43/53/1202184353.db2.gz MUNATJZKPPNDQN-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CCOCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001274090308 1204366850 /nfs/dbraw/zinc/36/68/50/1204366850.db2.gz YZHNELZCZRROQJ-ZRHASKPBSA-N 2 0 349.519 2.082 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001274787203 1205165024 /nfs/dbraw/zinc/16/50/24/1205165024.db2.gz FTQSKVBBLRCEEQ-CQSZACIVSA-N 2 0 337.895 2.461 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275553709 1205408780 /nfs/dbraw/zinc/40/87/80/1205408780.db2.gz NWXAXRJQMPIINB-OLZOCXBDSA-N 2 0 326.872 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccnc(Cl)c1 ZINC001275705884 1205492597 /nfs/dbraw/zinc/49/25/97/1205492597.db2.gz BNQDDLJVCBPHII-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+](CC)CC ZINC001411747273 1205509333 /nfs/dbraw/zinc/50/93/33/1205509333.db2.gz MMABHMXPPFTBDM-IAGOWNOFSA-N 2 0 348.539 2.245 10 0 EEAERP CCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC[NH+](CC)CC ZINC001411756471 1205512573 /nfs/dbraw/zinc/51/25/73/1205512573.db2.gz PDWBZGKETHSNRM-QGZVFWFLSA-N 2 0 348.539 2.247 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2cccc(F)c2F)CC[N@@H+]1C ZINC001276007021 1205632001 /nfs/dbraw/zinc/63/20/01/1205632001.db2.gz JQFGIYYENRTCEY-UKRRQHHQSA-N 2 0 339.430 2.243 10 0 EEAERP O[C@H](CN[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCc2ccccc2C1 ZINC000924642611 1206009017 /nfs/dbraw/zinc/00/90/17/1206009017.db2.gz LCMSJWHMKIQMSZ-NJDAHSKKSA-N 2 0 343.515 2.012 10 0 EEAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924657051 1206012427 /nfs/dbraw/zinc/01/24/27/1206012427.db2.gz FIBCUSQYIRSXOV-UYAOXDASSA-N 2 0 330.520 2.410 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCOC34CCCCC4)ccn2)CC1 ZINC000924690660 1206018772 /nfs/dbraw/zinc/01/87/72/1206018772.db2.gz SPZCCZLLIZTMOP-SFHVURJKSA-N 2 0 344.503 2.415 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925499087 1206119670 /nfs/dbraw/zinc/11/96/70/1206119670.db2.gz MOXFYRSEJHRHRB-AQMVCYDESA-N 2 0 340.414 2.071 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)cn2)CC1 ZINC000925555486 1206127290 /nfs/dbraw/zinc/12/72/90/1206127290.db2.gz CAPPGEMCUUOBRE-MSOLQXFVSA-N 3 0 345.535 2.219 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C[C@@H]([NH3+])C1 ZINC000925657535 1206140826 /nfs/dbraw/zinc/14/08/26/1206140826.db2.gz JHQZDPOQBDFZPW-IXDOHACOSA-N 2 0 333.451 2.422 10 0 EEAERP CC1(C)[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925725952 1206146781 /nfs/dbraw/zinc/14/67/81/1206146781.db2.gz FHUJYBYBOZABFY-FGTMMUONSA-N 2 0 342.487 2.078 10 0 EEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000925734055 1206147612 /nfs/dbraw/zinc/14/76/12/1206147612.db2.gz MEFXCECRWPEYJY-VKSTYQTPSA-N 2 0 334.485 2.097 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)CO2)CC[NH2+]CC1 ZINC000925773245 1206152407 /nfs/dbraw/zinc/15/24/07/1206152407.db2.gz AZFPBXCKBLMONB-HOTGVXAUSA-N 2 0 338.492 2.247 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(CO)c1 ZINC000925808502 1206156053 /nfs/dbraw/zinc/15/60/53/1206156053.db2.gz LAFVFRWYEYBFAU-QGZVFWFLSA-N 2 0 339.483 2.435 10 0 EEAERP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000925838110 1206158759 /nfs/dbraw/zinc/15/87/59/1206158759.db2.gz KOAMGFBFQVAHHZ-IXDOHACOSA-N 2 0 329.444 2.425 10 0 EEAERP COc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1OC ZINC000925848363 1206160028 /nfs/dbraw/zinc/16/00/28/1206160028.db2.gz GHQAPFNBDWKJTG-INIZCTEOSA-N 2 0 335.492 2.430 10 0 EEAERP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853000 1206160900 /nfs/dbraw/zinc/16/09/00/1206160900.db2.gz JDLYNXGGGQDSIX-HUUCEWRRSA-N 2 0 332.444 2.340 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925901503 1206165740 /nfs/dbraw/zinc/16/57/40/1206165740.db2.gz HIAFZJQNYWIDML-SFHVURJKSA-N 2 0 347.507 2.200 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[C@H]1C ZINC000925905986 1206166264 /nfs/dbraw/zinc/16/62/64/1206166264.db2.gz MXDPCOSZTWIGRC-RYRKJORJSA-N 2 0 347.507 2.199 10 0 EEAERP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CN4C[C@@H]3CCC4)cc2)CC1 ZINC000926378610 1206217162 /nfs/dbraw/zinc/21/71/62/1206217162.db2.gz PUYOIEQTWPSILS-FXAWDEMLSA-N 2 0 329.488 2.343 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000926591867 1206230006 /nfs/dbraw/zinc/23/00/06/1206230006.db2.gz UXZUHNDYKVGVHV-INIZCTEOSA-N 2 0 341.455 2.465 10 0 EEAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930439196 1206557829 /nfs/dbraw/zinc/55/78/29/1206557829.db2.gz IDNDQEDDZUMIEW-INIZCTEOSA-N 2 0 339.439 2.305 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000931704673 1207444758 /nfs/dbraw/zinc/44/47/58/1207444758.db2.gz YXCQQVDWNPWYRX-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CCn1nccc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718010188 1211700843 /nfs/dbraw/zinc/70/08/43/1211700843.db2.gz GNRCFPCLJBIPCM-UHFFFAOYSA-N 2 0 342.487 2.410 10 0 EEAERP CC[NH+]1CCC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000718022762 1211703170 /nfs/dbraw/zinc/70/31/70/1211703170.db2.gz YMZALURAQDBEQD-UHFFFAOYSA-N 3 0 345.531 2.478 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCCCCF)C1 ZINC001276326734 1215732935 /nfs/dbraw/zinc/73/29/35/1215732935.db2.gz JSPXFLUKYLTRKI-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC000900990778 1235085107 /nfs/dbraw/zinc/08/51/07/1235085107.db2.gz XRDFHVLZBOVKPH-UHFFFAOYSA-N 2 0 335.414 2.205 10 0 EEAERP CS[C@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@@H]1[NH+](C)C ZINC000901231708 1235424686 /nfs/dbraw/zinc/42/46/86/1235424686.db2.gz WRDCIYPATBQOQE-HOTGVXAUSA-N 2 0 346.500 2.408 10 0 EEAERP C[C@]1(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)COC(=O)N1 ZINC000903564090 1240954829 /nfs/dbraw/zinc/95/48/29/1240954829.db2.gz PPHAUEJFAJAMMP-LJQANCHMSA-N 2 0 329.444 2.043 10 0 EEAERP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)OCCO2 ZINC000903717985 1241708542 /nfs/dbraw/zinc/70/85/42/1241708542.db2.gz GTUREIGNFUMNRJ-ZWOKBUDYSA-N 2 0 344.455 2.363 10 0 EEAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000903733901 1241767896 /nfs/dbraw/zinc/76/78/96/1241767896.db2.gz SFDGRVFZGRYWRY-VQTJNVASSA-N 3 0 335.536 2.343 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](COc3ccccc3)C2)cnn1C ZINC000903902814 1242409556 /nfs/dbraw/zinc/40/95/56/1242409556.db2.gz NOMHVRFPBUTXBO-ZWKOTPCHSA-N 2 0 342.487 2.247 10 0 EEAERP CCC1CCC([N@H+](CCO)C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903914440 1242462473 /nfs/dbraw/zinc/46/24/73/1242462473.db2.gz VAGQWITVJPTNFC-HFCFLWKCSA-N 2 0 336.524 2.109 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])CNC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cnn1C ZINC000903916218 1242468453 /nfs/dbraw/zinc/46/84/53/1242468453.db2.gz FWNSIHCTEWZEAE-OXJNMPFZSA-N 2 0 343.519 2.259 10 0 EEAERP CCOc1ccc(C[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903923409 1242517056 /nfs/dbraw/zinc/51/70/56/1242517056.db2.gz SVYMQNXXXWYRAD-MRXNPFEDSA-N 2 0 346.475 2.043 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903986939 1242880923 /nfs/dbraw/zinc/88/09/23/1242880923.db2.gz UJOIHQMMOIFJSY-KKXNLOMOSA-N 3 0 347.551 2.233 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2c(c1)OCCCO2 ZINC000151832341 1253742991 /nfs/dbraw/zinc/74/29/91/1253742991.db2.gz FLTVAWWIYNTEHX-OAHLLOKOSA-N 2 0 334.460 2.203 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001491159405 1258736066 /nfs/dbraw/zinc/73/60/66/1258736066.db2.gz YVXHLPTUXRBLEP-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP COCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491219298 1258798718 /nfs/dbraw/zinc/79/87/18/1258798718.db2.gz OWPGENMOMFQOHT-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491236208 1258825451 /nfs/dbraw/zinc/82/54/51/1258825451.db2.gz IOPLPHHYVSCFIX-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC001491231091 1258834089 /nfs/dbraw/zinc/83/40/89/1258834089.db2.gz RDFINLINFDKNJL-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2nccn2C)CC1)[NH+](CC)CC ZINC001491362082 1259001703 /nfs/dbraw/zinc/00/17/03/1259001703.db2.gz WEYKPWSHBLDYMH-OFLPRAFFSA-N 2 0 349.523 2.058 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1nc2ccccc2o1 ZINC001491453759 1259090438 /nfs/dbraw/zinc/09/04/38/1259090438.db2.gz DGUUFRVDLZIFBN-GOEBONIOSA-N 2 0 344.459 2.295 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001273910346 1289775913 /nfs/dbraw/zinc/77/59/13/1289775913.db2.gz PGIWGBKEZGMVLL-VZSQWMKGSA-N 2 0 345.487 2.330 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001489231702 1290481928 /nfs/dbraw/zinc/48/19/28/1290481928.db2.gz OEARFCWNSRGELP-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001489238221 1290487527 /nfs/dbraw/zinc/48/75/27/1290487527.db2.gz ITXNJSZNDZLDTG-KRWDZBQOSA-N 2 0 341.540 2.362 10 0 EEAERP Cc1cc(C[N@H+](CCCNC(=O)C23CC[NH+](CC2)C3)C2CC2)sn1 ZINC001490389945 1291279564 /nfs/dbraw/zinc/27/95/64/1291279564.db2.gz IGVRZGUQJFEWDN-UHFFFAOYSA-N 2 0 348.516 2.018 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001490561198 1291458421 /nfs/dbraw/zinc/45/84/21/1291458421.db2.gz XTLJSNPZVZWBEM-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740830 1291654398 /nfs/dbraw/zinc/65/43/98/1291654398.db2.gz GWOWTHOCHWZVIH-ZWKOTPCHSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001490741564 1291654629 /nfs/dbraw/zinc/65/46/29/1291654629.db2.gz JOCDTKREMSWKBC-MSOLQXFVSA-N 2 0 348.491 2.088 10 0 EEAERP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605018 1293580092 /nfs/dbraw/zinc/58/00/92/1293580092.db2.gz VIXZGFURJLAONL-RTBURBONSA-N 2 0 335.492 2.392 10 0 EEAERP c1n[nH]c2c1CCC[C@@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000857845871 1293928878 /nfs/dbraw/zinc/92/88/78/1293928878.db2.gz UCRUJBIVDSNQIU-IBGZPJMESA-N 2 0 339.487 2.195 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1(C)C ZINC000858175381 1294032904 /nfs/dbraw/zinc/03/29/04/1294032904.db2.gz MEVNGYQXSORQNL-GJZGRUSLSA-N 2 0 341.496 2.085 10 0 EEAERP C[Si](C)(CC[NH+]1CCC2(COC2)C1)CC[N@@H+]1CCC2(COC2)C1 ZINC000859359647 1294409395 /nfs/dbraw/zinc/40/93/95/1294409395.db2.gz WXOWDUAQFKJSDD-UHFFFAOYSA-N 2 0 338.568 2.139 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001490903626 1294710309 /nfs/dbraw/zinc/71/03/09/1294710309.db2.gz YPYXMZQZHIATOM-DZKIICNBSA-N 2 0 338.883 2.058 10 0 EEAERP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCS(=O)(=O)CC1 ZINC000859998014 1294743956 /nfs/dbraw/zinc/74/39/56/1294743956.db2.gz YABWIOPIKGVZRZ-UHFFFAOYSA-N 2 0 338.517 2.395 10 0 EEAERP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1[NH2+]CCOC ZINC001276774277 1297587734 /nfs/dbraw/zinc/58/77/34/1297587734.db2.gz XOADYRHVVVSVLC-MJGOQNOKSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001277075210 1301164398 /nfs/dbraw/zinc/16/43/98/1301164398.db2.gz SOSXMDQKCCJQQQ-ZOBUZTSGSA-N 2 0 337.533 2.361 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001277094023 1301240170 /nfs/dbraw/zinc/24/01/70/1301240170.db2.gz ISTGOHSRYGFOBQ-UHFFFAOYSA-N 2 0 325.472 2.241 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cnc(C)o2)CC[N@@H+]1C ZINC001277193333 1301748968 /nfs/dbraw/zinc/74/89/68/1301748968.db2.gz DQHHQVFDNAEJHG-XOKHGSTOSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001277263448 1302065995 /nfs/dbraw/zinc/06/59/95/1302065995.db2.gz ACSJSFNLXUABLW-RDTXWAMCSA-N 2 0 332.492 2.167 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001326352533 1334074670 /nfs/dbraw/zinc/07/46/70/1334074670.db2.gz NJXYEEHBJUNSJQ-ZIAGYGMSSA-N 2 0 337.430 2.353 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001277748224 1304328649 /nfs/dbraw/zinc/32/86/49/1304328649.db2.gz MWNBWMUKDDWFOU-GDBMZVCRSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001277785467 1304483015 /nfs/dbraw/zinc/48/30/15/1304483015.db2.gz JSWSYBHLTUQMQN-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CON(C)C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000799126532 1305162131 /nfs/dbraw/zinc/16/21/31/1305162131.db2.gz FUBATEUDHFNZIL-MRXNPFEDSA-N 2 0 325.497 2.373 10 0 EEAERP C[C@@H](CN(C)C(=O)Cc1cnc[nH]1)[NH2+]CCOC1CCCCCC1 ZINC001277945494 1305230260 /nfs/dbraw/zinc/23/02/60/1305230260.db2.gz BWPSGVDVDNTAGE-HNNXBMFYSA-N 2 0 336.480 2.128 10 0 EEAERP COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc2c1OCCO2 ZINC000841036666 1315459799 /nfs/dbraw/zinc/45/97/99/1315459799.db2.gz RVVSRKMPXGAFJW-UHFFFAOYSA-N 2 0 328.412 2.257 10 0 EEAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001278526318 1317143312 /nfs/dbraw/zinc/14/33/12/1317143312.db2.gz ICIGXDQLNAFHQW-AEFFLSMTSA-N 2 0 337.508 2.033 10 0 EEAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001278571378 1317258188 /nfs/dbraw/zinc/25/81/88/1317258188.db2.gz LLRUWECDHXECGJ-CVEARBPZSA-N 2 0 325.472 2.097 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001280821269 1322728966 /nfs/dbraw/zinc/72/89/66/1322728966.db2.gz CPMHSQVOSBEDHD-OAHLLOKOSA-N 2 0 340.899 2.356 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCCOC)CC(C)(C)C1)[NH+](C)C ZINC001264753686 1322808426 /nfs/dbraw/zinc/80/84/26/1322808426.db2.gz MOJTUARYUOCMGC-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCCOC)C2)C1 ZINC001265223031 1322994562 /nfs/dbraw/zinc/99/45/62/1322994562.db2.gz PERVCTSCUZDAAO-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCCOC(C)C)CC2)[NH+](C)C ZINC001265329683 1323078642 /nfs/dbraw/zinc/07/86/42/1323078642.db2.gz LCOTXPNCMZSMNJ-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001265818839 1323398119 /nfs/dbraw/zinc/39/81/19/1323398119.db2.gz SVQGCZOGDYSVMK-DGCLKSJQSA-N 2 0 336.307 2.006 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001265846227 1323421061 /nfs/dbraw/zinc/42/10/61/1323421061.db2.gz KTCAKLIEDGCDJR-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCCc1ccccc1 ZINC001265917509 1323484004 /nfs/dbraw/zinc/48/40/04/1323484004.db2.gz REFXTCKELUBQMS-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)c1 ZINC001265974275 1323534416 /nfs/dbraw/zinc/53/44/16/1323534416.db2.gz HAEDPDMKQJROJN-MRXNPFEDSA-N 2 0 333.476 2.290 10 0 EEAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001279581846 1323945590 /nfs/dbraw/zinc/94/55/90/1323945590.db2.gz KMFWTHPJIGMCHO-RDJZCZTQSA-N 2 0 325.472 2.357 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001279621567 1323962368 /nfs/dbraw/zinc/96/23/68/1323962368.db2.gz HSCJYANQMRYTBW-UHFFFAOYSA-N 2 0 335.517 2.381 10 0 EEAERP COC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654008 1323970629 /nfs/dbraw/zinc/97/06/29/1323970629.db2.gz LZDWMGMQXHAPFU-DLBZAZTESA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001280295558 1324146184 /nfs/dbraw/zinc/14/61/84/1324146184.db2.gz JELQKNFJMKWWOR-JKSUJKDBSA-N 2 0 348.491 2.078 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280378140 1324186263 /nfs/dbraw/zinc/18/62/63/1324186263.db2.gz BUGGDNWAJYZIHX-BZUAXINKSA-N 2 0 325.472 2.095 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)nc2)CCC1)[NH+](C)C ZINC001280505248 1324261331 /nfs/dbraw/zinc/26/13/31/1324261331.db2.gz IJVLJFMOWSAVGH-AWEZNQCLSA-N 2 0 338.883 2.204 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001280582602 1324314911 /nfs/dbraw/zinc/31/49/11/1324314911.db2.gz JTHRECMWCFVEGU-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(Cl)n1)C1CC1)[NH+](C)C ZINC001276656454 1324984314 /nfs/dbraw/zinc/98/43/14/1324984314.db2.gz OUIWPYOQOCIHTH-CABCVRRESA-N 2 0 338.883 2.060 10 0 EEAERP COCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001281408540 1325048186 /nfs/dbraw/zinc/04/81/86/1325048186.db2.gz ICNPJWWGHGJYCX-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)sn1 ZINC001281458323 1325123787 /nfs/dbraw/zinc/12/37/87/1325123787.db2.gz ODNXOFQZQHQOKS-XJKSGUPXSA-N 2 0 338.521 2.120 10 0 EEAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929539 1325839556 /nfs/dbraw/zinc/83/95/56/1325839556.db2.gz RVBXZJYSVIVDCI-WIJVFFIESA-N 2 0 349.519 2.034 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283147338 1325934540 /nfs/dbraw/zinc/93/45/40/1325934540.db2.gz VCVQIULZLDMVKH-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001283621465 1326166738 /nfs/dbraw/zinc/16/67/38/1326166738.db2.gz LNMOXIQLUFRDMN-QGZVFWFLSA-N 2 0 347.503 2.295 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCOCC(C)C)CC2)[NH+](C)C ZINC001284073198 1326394329 /nfs/dbraw/zinc/39/43/29/1326394329.db2.gz ZNKPHXWFCHEUGF-LMMKCTJWSA-N 2 0 339.524 2.112 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001284131923 1326425896 /nfs/dbraw/zinc/42/58/96/1326425896.db2.gz OFLFAHAUAHQSBU-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCCc3cccc(F)c3)C2)CC1 ZINC001491748350 1330240894 /nfs/dbraw/zinc/24/08/94/1330240894.db2.gz MEGDRIWRNGIANE-SFHVURJKSA-N 2 0 347.478 2.291 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491819349 1330262848 /nfs/dbraw/zinc/26/28/48/1330262848.db2.gz DUIUGSPZEKNARD-JKSUJKDBSA-N 2 0 341.459 2.365 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491887487 1330289958 /nfs/dbraw/zinc/28/99/58/1330289958.db2.gz YRBOHKYNLQMDSD-SJORKVTESA-N 2 0 333.476 2.164 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001491946157 1330337814 /nfs/dbraw/zinc/33/78/14/1330337814.db2.gz ANOZBBRNMJBILJ-LJQANCHMSA-N 2 0 347.503 2.208 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CC[C@H]2CCCO2)C1 ZINC001491959635 1330353573 /nfs/dbraw/zinc/35/35/73/1330353573.db2.gz OCDJJVUUICKPJX-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001492128534 1330981237 /nfs/dbraw/zinc/98/12/37/1330981237.db2.gz WNESRDRHASIBNU-WBVHZDCISA-N 2 0 335.467 2.194 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]C/C=C/Cl ZINC001316684535 1331324203 /nfs/dbraw/zinc/32/42/03/1331324203.db2.gz JSYMUZPPUMTFBJ-IDSJHHPBSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001316698467 1331751195 /nfs/dbraw/zinc/75/11/95/1331751195.db2.gz HOAXTBWHARPNRF-KOOVBOMWSA-N 2 0 327.900 2.296 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(C2CCC2)cc1 ZINC001413846108 1331850292 /nfs/dbraw/zinc/85/02/92/1331850292.db2.gz GWLVVIBQTIDAPR-UHFFFAOYSA-N 2 0 331.504 2.448 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001316854894 1331937954 /nfs/dbraw/zinc/93/79/54/1331937954.db2.gz XCKLETLPFLKPLD-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001316907252 1331973251 /nfs/dbraw/zinc/97/32/51/1331973251.db2.gz LCNKUXRNOOGHJB-IRXDYDNUSA-N 2 0 347.507 2.016 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1nc(C)c(C)s1 ZINC001316909421 1331975317 /nfs/dbraw/zinc/97/53/17/1331975317.db2.gz QADMWMHISSFWJR-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001316955125 1332014966 /nfs/dbraw/zinc/01/49/66/1332014966.db2.gz PYFTZNZBEFGVTE-RBUKOAKNSA-N 2 0 347.503 2.033 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001316986597 1332030688 /nfs/dbraw/zinc/03/06/88/1332030688.db2.gz QXARQJZUQZXDQN-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCCc3cccc(F)c3)C2)CCC1 ZINC001317059966 1332065023 /nfs/dbraw/zinc/06/50/23/1332065023.db2.gz SUTGSIVGJLOHHX-SFHVURJKSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CC[NH2+]Cc1cc2ccccc2o1 ZINC001317656383 1332352649 /nfs/dbraw/zinc/35/26/49/1332352649.db2.gz HOIUOSGLDIQNMV-UHFFFAOYSA-N 2 0 326.400 2.255 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001317668431 1332360879 /nfs/dbraw/zinc/36/08/79/1332360879.db2.gz ASTNAENOZYZCHO-ZIAGYGMSSA-N 2 0 338.883 2.156 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cn1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001317669874 1332362047 /nfs/dbraw/zinc/36/20/47/1332362047.db2.gz NNQURDLEAGAHDS-UHFFFAOYSA-N 2 0 344.434 2.144 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCc1ccsc1 ZINC001319271167 1332673499 /nfs/dbraw/zinc/67/34/99/1332673499.db2.gz WZCMEIWYCWUBQO-OAHLLOKOSA-N 2 0 335.517 2.118 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001320863367 1332967664 /nfs/dbraw/zinc/96/76/64/1332967664.db2.gz QQNZEDQRTVERNF-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH]cn2)c(C)s1 ZINC001321085161 1333015207 /nfs/dbraw/zinc/01/52/07/1333015207.db2.gz RPOUIXQMKXNRGT-ONEGZZNKSA-N 2 0 332.473 2.483 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089429 1333016521 /nfs/dbraw/zinc/01/65/21/1333016521.db2.gz BBTZHQRHUKZLDP-XHRFTGCISA-N 2 0 325.472 2.404 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CC=C(Cl)Cl)CC1 ZINC001321279552 1333061994 /nfs/dbraw/zinc/06/19/94/1333061994.db2.gz IUDKITYTETTYMO-NSCUHMNNSA-N 2 0 334.291 2.299 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001322086762 1333206300 /nfs/dbraw/zinc/20/63/00/1333206300.db2.gz CGTLOWJSSGTRJL-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP COCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001326478379 1334100857 /nfs/dbraw/zinc/10/08/57/1334100857.db2.gz BEMHZXDZRBFLCF-BXWFABGCSA-N 2 0 347.503 2.330 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC001326816217 1334164144 /nfs/dbraw/zinc/16/41/44/1334164144.db2.gz FWBYRIDYGHNGAM-HIFRSBDPSA-N 2 0 338.883 2.281 10 0 EEAERP Cc1c(C(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)ccc2c[nH+]cn21 ZINC001328879440 1334539857 /nfs/dbraw/zinc/53/98/57/1334539857.db2.gz GJQWDBQHBWPKJV-GORDUTHDSA-N 2 0 332.835 2.493 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCCC1)[NH+](C)C ZINC001329846395 1334725954 /nfs/dbraw/zinc/72/59/54/1334725954.db2.gz RZPSLDXLEHTBTI-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP Cc1ccc(CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001330976964 1334939349 /nfs/dbraw/zinc/93/93/49/1334939349.db2.gz MZEQIYQNQPHQKB-IEBWSBKVSA-N 2 0 331.504 2.364 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCOC(C)C ZINC001479268680 1337321502 /nfs/dbraw/zinc/32/15/02/1337321502.db2.gz ALUPKTIHMXOLET-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP [NH2+]=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1CCCO1 ZINC000849011341 1338822883 /nfs/dbraw/zinc/82/28/83/1338822883.db2.gz NETHVWRZHSFODR-SFHVURJKSA-N 2 0 330.476 2.465 10 0 EEAERP CC[NH+](CC)C[C@H]1CCN(c2nnc(C)n2CC[N@H+]2CC=CCC2)C1 ZINC001615429133 1352324490 /nfs/dbraw/zinc/32/44/90/1352324490.db2.gz WESVTVLPLHTWTH-GOSISDBHSA-N 2 0 346.523 2.017 10 0 EEAERP Cc1cc(F)cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1N ZINC001615787253 1352325400 /nfs/dbraw/zinc/32/54/00/1352325400.db2.gz HIHQZAIJCMQGIT-UHFFFAOYSA-N 2 0 338.471 2.062 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214683 1355901154 /nfs/dbraw/zinc/90/11/54/1355901154.db2.gz NGRHGNWFLLZXAI-HOTGVXAUSA-N 2 0 335.467 2.194 10 0 EEAERP CO[C@@H](C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1)c1ccccc1 ZINC001445061316 1342079097 /nfs/dbraw/zinc/07/90/97/1342079097.db2.gz KZWYMISHCMRYTD-MJGOQNOKSA-N 2 0 347.503 2.106 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001502742281 1342227905 /nfs/dbraw/zinc/22/79/05/1342227905.db2.gz UMNLUCUZAUICJO-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001505716784 1342238490 /nfs/dbraw/zinc/23/84/90/1342238490.db2.gz LMSDDJLSDQCXRE-KGLIPLIRSA-N 2 0 331.451 2.246 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC/C=C/c2ccccc2)C1 ZINC001506648289 1342302291 /nfs/dbraw/zinc/30/22/91/1342302291.db2.gz DZPAQUCUBGMKLF-VDZSZVPASA-N 2 0 329.488 2.478 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001506666070 1342307325 /nfs/dbraw/zinc/30/73/25/1342307325.db2.gz OYERPILPDIZTEZ-JKSUJKDBSA-N 2 0 333.520 2.345 10 0 EEAERP C[NH+](C)CCCOc1cccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)c1 ZINC001565769401 1342561482 /nfs/dbraw/zinc/56/14/82/1342561482.db2.gz AWULOLRSRFMREB-HNNXBMFYSA-N 2 0 337.439 2.390 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567176436 1342705161 /nfs/dbraw/zinc/70/51/61/1342705161.db2.gz LTTHQBOWIJUGHQ-SJORKVTESA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675920369 1357069749 /nfs/dbraw/zinc/06/97/49/1357069749.db2.gz OVXGGHYRIMHTQV-KBXCAEBGSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC001567265829 1342728290 /nfs/dbraw/zinc/72/82/90/1342728290.db2.gz FPWNAZMXWOYNDL-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC001567497331 1342769823 /nfs/dbraw/zinc/76/98/23/1342769823.db2.gz UQIUNZDXMZNRFT-DNVCBOLYSA-N 2 0 329.488 2.452 10 0 EEAERP CCOC1CC(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567522975 1342777816 /nfs/dbraw/zinc/77/78/16/1342777816.db2.gz MWYSXRIZXDBNNS-UHFFFAOYSA-N 2 0 344.459 2.119 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001569520990 1342891764 /nfs/dbraw/zinc/89/17/64/1342891764.db2.gz FAEPBDFVKDCOHJ-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001569526071 1342892909 /nfs/dbraw/zinc/89/29/09/1342892909.db2.gz DHDJKPVPWIUAQB-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncccc1C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569652104 1342918542 /nfs/dbraw/zinc/91/85/42/1342918542.db2.gz YSJMKXLCQULXMN-LJQANCHMSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569984017 1342987925 /nfs/dbraw/zinc/98/79/25/1342987925.db2.gz NRLNFZJSHPNISV-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001569988298 1342989630 /nfs/dbraw/zinc/98/96/30/1342989630.db2.gz VKNJUPIARNLHFE-GOEBONIOSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001570004476 1342996330 /nfs/dbraw/zinc/99/63/30/1342996330.db2.gz JLESBOVPYBXABH-ZIAGYGMSSA-N 2 0 348.318 2.475 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001570183136 1343028380 /nfs/dbraw/zinc/02/83/80/1343028380.db2.gz CYRFZILMCOGWDV-QGZVFWFLSA-N 2 0 341.540 2.362 10 0 EEAERP CCOCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001570663104 1343098559 /nfs/dbraw/zinc/09/85/59/1343098559.db2.gz PQALMKWHXYDZSK-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC[C@@H]2CCCO2)C(C)(C)C)CC1 ZINC001677280973 1357306659 /nfs/dbraw/zinc/30/66/59/1357306659.db2.gz BWGHHDLOUOAWBY-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC(F)(F)C(F)(F)F ZINC001585112477 1348779796 /nfs/dbraw/zinc/77/97/96/1348779796.db2.gz QYMOGMKLIJWYNM-UHFFFAOYSA-N 2 0 347.372 2.306 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccc(F)cc1 ZINC001645853261 1352805026 /nfs/dbraw/zinc/80/50/26/1352805026.db2.gz JNAUBWDGYLOGCO-WCXIOVBPSA-N 2 0 334.439 2.140 10 0 EEAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001647244240 1353204681 /nfs/dbraw/zinc/20/46/81/1353204681.db2.gz RNGSJGOSOGWDFW-WJFTUGDTSA-N 2 0 327.472 2.237 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001649438853 1353505751 /nfs/dbraw/zinc/50/57/51/1353505751.db2.gz ACJWJWWQSDXRAC-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001656312652 1354222502 /nfs/dbraw/zinc/22/25/02/1354222502.db2.gz BSFOPULINGZMTN-JKSUJKDBSA-N 2 0 344.459 2.167 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CCC(F)(F)F ZINC001660190606 1354413806 /nfs/dbraw/zinc/41/38/06/1354413806.db2.gz QVZLFVYMDDQGOO-UHFFFAOYSA-N 2 0 335.414 2.253 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCCC[N@H+](Cc1ncccc1C)C1CC1 ZINC001660749494 1354531107 /nfs/dbraw/zinc/53/11/07/1354531107.db2.gz OYEPNNLJIKPTQN-UHFFFAOYSA-N 2 0 341.459 2.135 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001661434837 1354638130 /nfs/dbraw/zinc/63/81/30/1354638130.db2.gz AYLIUZSKVKAVOT-BZSNNMDCSA-N 2 0 345.487 2.177 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001661555206 1354657117 /nfs/dbraw/zinc/65/71/17/1354657117.db2.gz KPIRSYNKEZUUBF-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001661686357 1354672013 /nfs/dbraw/zinc/67/20/13/1354672013.db2.gz MIEOAIZJLXRRBL-VWPJWLHXSA-N 2 0 327.472 2.423 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001661885649 1354718157 /nfs/dbraw/zinc/71/81/57/1354718157.db2.gz LPSIJQZENAMGIH-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1)[NH+](C)C ZINC001661946042 1354726997 /nfs/dbraw/zinc/72/69/97/1354726997.db2.gz DFFJTMRIBBVDRM-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001662581858 1354808310 /nfs/dbraw/zinc/80/83/10/1354808310.db2.gz LEBQQJYSXFVLAL-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001662675850 1354824984 /nfs/dbraw/zinc/82/49/84/1354824984.db2.gz TXXPOLAYEVBGPY-RDJZCZTQSA-N 2 0 325.472 2.191 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCCOC)C2)C1 ZINC001662856260 1354866942 /nfs/dbraw/zinc/86/69/42/1354866942.db2.gz LXYHPGRKHBLDJH-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC001662872337 1354870809 /nfs/dbraw/zinc/87/08/09/1354870809.db2.gz KYOMXVPHXJYUJK-SFHVURJKSA-N 2 0 332.492 2.236 10 0 EEAERP Cn1cncc1CCC(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC001663120814 1354922677 /nfs/dbraw/zinc/92/26/77/1354922677.db2.gz YLWUQCYMHDLGBM-KHSJVXASSA-N 2 0 338.883 2.466 10 0 EEAERP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)CCc1c[nH]cn1 ZINC001663971833 1355064007 /nfs/dbraw/zinc/06/40/07/1355064007.db2.gz FYTJYERWAXZLKU-UHFFFAOYSA-N 2 0 334.851 2.286 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001664377232 1355148949 /nfs/dbraw/zinc/14/89/49/1355148949.db2.gz BBEAFEBTMWRUET-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP COCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001664442284 1355164780 /nfs/dbraw/zinc/16/47/80/1355164780.db2.gz KTBGAKHXCOOKFC-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCc1ccccc1F ZINC001666552986 1355543444 /nfs/dbraw/zinc/54/34/44/1355543444.db2.gz MLOSYJPBLURNOZ-BFYDXBDKSA-N 2 0 335.467 2.050 10 0 EEAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001667018035 1355633282 /nfs/dbraw/zinc/63/32/82/1355633282.db2.gz LSDSOPNUYBXVIJ-ZDUSSCGKSA-N 2 0 336.307 2.474 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667150779 1355658350 /nfs/dbraw/zinc/65/83/50/1355658350.db2.gz HRFQHSUPEOALAG-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)on1 ZINC001667307215 1355705994 /nfs/dbraw/zinc/70/59/94/1355705994.db2.gz SDZQALUHTXIRDS-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668091784 1355866912 /nfs/dbraw/zinc/86/69/12/1355866912.db2.gz CCOFXAZIOWDBDX-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nccs2)C1 ZINC001668178783 1355892876 /nfs/dbraw/zinc/89/28/76/1355892876.db2.gz LXMFKDKCXSSSGF-LSDHHAIUSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001668196610 1355897466 /nfs/dbraw/zinc/89/74/66/1355897466.db2.gz IATPEHQINCUQOZ-INIZCTEOSA-N 2 0 346.519 2.079 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001668453521 1355944166 /nfs/dbraw/zinc/94/41/66/1355944166.db2.gz UIWKRUTVADNOBN-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001668820363 1356012389 /nfs/dbraw/zinc/01/23/89/1356012389.db2.gz DWNRHSQFRGTHKZ-VOFKWLDRSA-N 2 0 344.503 2.333 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCOc2ccccc2)CC1 ZINC001669702595 1356197166 /nfs/dbraw/zinc/19/71/66/1356197166.db2.gz DCZVWCVYLGRPGS-KRWDZBQOSA-N 2 0 347.503 2.280 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001672229669 1356485041 /nfs/dbraw/zinc/48/50/41/1356485041.db2.gz YXZWDVFOBUZODF-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC001672811361 1356590244 /nfs/dbraw/zinc/59/02/44/1356590244.db2.gz YQLORFJGXMTQRG-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001672859818 1356601058 /nfs/dbraw/zinc/60/10/58/1356601058.db2.gz WTZQLARTVOKZGR-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CCC(F)(F)F)C1 ZINC001674551023 1356857148 /nfs/dbraw/zinc/85/71/48/1356857148.db2.gz IALMQYGGOBGTRY-JXQTWKCFSA-N 2 0 335.414 2.298 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2ccns2)CC[N@@H+]1C ZINC001675902983 1357066156 /nfs/dbraw/zinc/06/61/56/1357066156.db2.gz JANUICNALLLQAG-VNQPRFMTSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC/C=C/c1ccccc1 ZINC001698771229 1405052350 /nfs/dbraw/zinc/05/23/50/1405052350.db2.gz DXFRIDVEIODQPV-UXYGNLPZSA-N 2 0 329.488 2.384 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001699108957 1405264886 /nfs/dbraw/zinc/26/48/86/1405264886.db2.gz XXETZZAYSCGICY-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699554582 1405394263 /nfs/dbraw/zinc/39/42/63/1405394263.db2.gz TWNAKRFCOVCOHR-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001699758263 1405468561 /nfs/dbraw/zinc/46/85/61/1405468561.db2.gz MMFWWQLGXDTWHG-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000918122851 768926154 /nfs/dbraw/zinc/92/61/54/768926154.db2.gz UZYXHWFFOWADPK-KRWDZBQOSA-N 2 0 336.524 2.378 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817930456 785111235 /nfs/dbraw/zinc/11/12/35/785111235.db2.gz BSJYTXGXGLNCMW-GDBMZVCRSA-N 2 0 335.448 2.438 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000817932858 785112233 /nfs/dbraw/zinc/11/22/33/785112233.db2.gz WPWKOWSBRKJLLC-ZBFHGGJFSA-N 2 0 334.464 2.011 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908234835 785253926 /nfs/dbraw/zinc/25/39/26/785253926.db2.gz BPCZFCGXSUFZIF-MOPGFXCFSA-N 2 0 344.503 2.379 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000819052763 785377089 /nfs/dbraw/zinc/37/70/89/785377089.db2.gz DPCKKJSBRCYVIF-ICSRJNTNSA-N 2 0 331.504 2.095 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043799814 786061516 /nfs/dbraw/zinc/06/15/16/786061516.db2.gz ZUVOVVHXGHFNSW-MRXNPFEDSA-N 2 0 347.507 2.290 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000585121322 786523920 /nfs/dbraw/zinc/52/39/20/786523920.db2.gz LZHWDVVOHVABGW-QGZVFWFLSA-N 2 0 327.472 2.205 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915361 788473198 /nfs/dbraw/zinc/47/31/98/788473198.db2.gz FPKBWVFJXPIRFA-AWEZNQCLSA-N 2 0 327.428 2.415 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CC2(CC2(F)F)C1 ZINC000825160245 788492111 /nfs/dbraw/zinc/49/21/11/788492111.db2.gz PSMCQHDJXVTRTL-ISXOHVOVSA-N 2 0 343.462 2.296 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000913097541 788625478 /nfs/dbraw/zinc/62/54/78/788625478.db2.gz NVWYMPYZRXXSFL-BHIYHBOVSA-N 2 0 329.488 2.355 10 0 EEAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000923316147 789356624 /nfs/dbraw/zinc/35/66/24/789356624.db2.gz SRDHKVIHOFASQT-WTUNAVPPSA-N 2 0 333.398 2.002 10 0 EEAERP COc1cccc(C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000923309072 789365222 /nfs/dbraw/zinc/36/52/22/789365222.db2.gz QGJZVXDCRQNLLP-RBUKOAKNSA-N 2 0 346.471 2.055 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1nc(-c3ccccc3)no1)CC2 ZINC000923456462 789572764 /nfs/dbraw/zinc/57/27/64/789572764.db2.gz PZVSZMVUYCXDKJ-OAHLLOKOSA-N 2 0 328.416 2.066 10 0 EEAERP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923453311 789587480 /nfs/dbraw/zinc/58/74/80/789587480.db2.gz AENMHADAKOUJEU-WBVHZDCISA-N 2 0 331.460 2.152 10 0 EEAERP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923497433 789672716 /nfs/dbraw/zinc/67/27/16/789672716.db2.gz LOYFYJQAQZQXSU-VQIMIIECSA-N 2 0 347.503 2.145 10 0 EEAERP C[C@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923497948 789673523 /nfs/dbraw/zinc/67/35/23/789673523.db2.gz GQDSZUWOHBEKNF-WFASDCNBSA-N 2 0 344.484 2.326 10 0 EEAERP Cn1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)n1 ZINC000712433398 794508446 /nfs/dbraw/zinc/50/84/46/794508446.db2.gz FXQMFSYBUYYILW-CYBMUJFWSA-N 2 0 341.297 2.394 10 0 EEAERP C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713271867 794561456 /nfs/dbraw/zinc/56/14/56/794561456.db2.gz ZFVXUDKOEDOUDI-OMNJKAEPSA-N 2 0 327.472 2.141 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565942671 1125468660 /nfs/dbraw/zinc/46/86/60/1125468660.db2.gz CXCATYMSUDPVKA-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001566225071 1125591381 /nfs/dbraw/zinc/59/13/81/1125591381.db2.gz IBLDYBTTZKJOCJ-KSZLIROESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001436473225 1087938016 /nfs/dbraw/zinc/93/80/16/1087938016.db2.gz UNJLNAVBZNDEEM-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001436475791 1087942981 /nfs/dbraw/zinc/94/29/81/1087942981.db2.gz ITSULKHBZYWKRJ-NUJGCVRESA-N 2 0 339.524 2.255 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001436477667 1087949784 /nfs/dbraw/zinc/94/97/84/1087949784.db2.gz POUJAECRUAGUOG-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC001436482371 1087968043 /nfs/dbraw/zinc/96/80/43/1087968043.db2.gz XTCZFLOUZMFWOB-APWZRJJASA-N 2 0 346.519 2.173 10 0 EEAERP COc1cccc(CCC[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001436687598 1088141173 /nfs/dbraw/zinc/14/11/73/1088141173.db2.gz AGBSRWQBEKRPJV-SFHVURJKSA-N 2 0 347.503 2.160 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436794817 1088362045 /nfs/dbraw/zinc/36/20/45/1088362045.db2.gz YTGCMDRNINGIFW-HZPDHXFCSA-N 2 0 336.505 2.000 10 0 EEAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1)[NH+]1CCCC1 ZINC001436913399 1088570040 /nfs/dbraw/zinc/57/00/40/1088570040.db2.gz ZGXFPBQKUPGHGX-WNMRZGSGSA-N 2 0 334.291 2.417 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCF)CC[C@@H]21)CC(C)(C)C ZINC001436947010 1088629272 /nfs/dbraw/zinc/62/92/72/1088629272.db2.gz VDXPKWAFXWSPNB-CVEARBPZSA-N 2 0 327.488 2.247 10 0 EEAERP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001436961085 1088650425 /nfs/dbraw/zinc/65/04/25/1088650425.db2.gz SEFTWNRLVWIIOU-CALCHBBNSA-N 2 0 348.491 2.232 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1Cl ZINC001437128890 1089117232 /nfs/dbraw/zinc/11/72/32/1089117232.db2.gz SMWUSHYNBIHNRX-JSGCOSHPSA-N 2 0 339.867 2.037 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437262815 1089407891 /nfs/dbraw/zinc/40/78/91/1089407891.db2.gz GMDWTYLJDKLBHW-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001437333627 1089517801 /nfs/dbraw/zinc/51/78/01/1089517801.db2.gz VJEDADUULMZXTO-MRXNPFEDSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001437411599 1089691019 /nfs/dbraw/zinc/69/10/19/1089691019.db2.gz SAWICKXTMLJVDZ-CABCVRRESA-N 2 0 336.480 2.232 10 0 EEAERP CCc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001437454805 1089764645 /nfs/dbraw/zinc/76/46/45/1089764645.db2.gz COHBDNQULHXTFV-LJQANCHMSA-N 2 0 329.488 2.139 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001437673636 1090202957 /nfs/dbraw/zinc/20/29/57/1090202957.db2.gz BMISSQZAOBTUPM-YOEHRIQHSA-N 2 0 331.451 2.139 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001437722785 1090275760 /nfs/dbraw/zinc/27/57/60/1090275760.db2.gz MSYRHWFLOQWZJE-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP C[C@@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)c1ccc2c(c1)CCC2 ZINC001437835668 1090422882 /nfs/dbraw/zinc/42/28/82/1090422882.db2.gz DXRDBHCGFIFSCO-MRXNPFEDSA-N 2 0 341.499 2.380 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001437919879 1090507597 /nfs/dbraw/zinc/50/75/97/1090507597.db2.gz QPCBESVXMUTNAC-COXDATCZSA-N 2 0 327.900 2.440 10 0 EEAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001437973766 1090565293 /nfs/dbraw/zinc/56/52/93/1090565293.db2.gz GYSRSCZWDVAVDW-FAOGRTBUSA-N 2 0 339.911 2.395 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001438304143 1090782867 /nfs/dbraw/zinc/78/28/67/1090782867.db2.gz MLHRDGPKIMOPMF-ZWKOTPCHSA-N 2 0 347.478 2.194 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001438313274 1090792274 /nfs/dbraw/zinc/79/22/74/1090792274.db2.gz QMNPSGFJYAGOHI-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001438550633 1091043196 /nfs/dbraw/zinc/04/31/96/1091043196.db2.gz YPPPSSYGFOQZKV-SJLPKXTDSA-N 2 0 331.504 2.487 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001438667159 1091156659 /nfs/dbraw/zinc/15/66/59/1091156659.db2.gz NCEJJDLJDFCKLX-SWLSCSKDSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445434592 1091193290 /nfs/dbraw/zinc/19/32/90/1091193290.db2.gz LZAAEVFTAXXCQB-LSDHHAIUSA-N 2 0 329.444 2.369 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)on1)N(C)C(=O)CC[NH+](C)C ZINC001438695503 1091199655 /nfs/dbraw/zinc/19/96/55/1091199655.db2.gz STHPUTQGUQZARH-HNNXBMFYSA-N 2 0 344.459 2.230 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001445555949 1091328070 /nfs/dbraw/zinc/32/80/70/1091328070.db2.gz AIVKVFIEQZRNEE-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001438760783 1091328302 /nfs/dbraw/zinc/32/83/02/1091328302.db2.gz ALLQNNNALMMRQJ-YJBOKZPZSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)n1 ZINC001445899125 1091826029 /nfs/dbraw/zinc/82/60/29/1091826029.db2.gz NVDYWDYMEGDLCE-FUHWJXTLSA-N 2 0 349.523 2.180 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001439284384 1091944496 /nfs/dbraw/zinc/94/44/96/1091944496.db2.gz HTYLZDKHDUFJDR-PKOBYXMFSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1nc2ccccc2o1)C1CC1)[NH+](C)C ZINC001445993124 1091966625 /nfs/dbraw/zinc/96/66/25/1091966625.db2.gz QNKYGNXNEQDWEM-JKSUJKDBSA-N 2 0 344.459 2.152 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001439340100 1092041406 /nfs/dbraw/zinc/04/14/06/1092041406.db2.gz LVBDYHQFTKXMTD-CRAIPNDOSA-N 2 0 333.476 2.116 10 0 EEAERP C[C@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439401386 1092158363 /nfs/dbraw/zinc/15/83/63/1092158363.db2.gz BGZPFWPHSRZTMN-QWRNQZPISA-N 2 0 329.488 2.478 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001439424144 1092191364 /nfs/dbraw/zinc/19/13/64/1092191364.db2.gz SSDQSBUQKAESTG-HKUYNNGSSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cc1C ZINC001446168029 1092222609 /nfs/dbraw/zinc/22/26/09/1092222609.db2.gz MEHIOCJAEOMYHQ-LJQANCHMSA-N 2 0 341.499 2.384 10 0 EEAERP Cc1ccc(CC[NH2+]C2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC001446168256 1092223556 /nfs/dbraw/zinc/22/35/56/1092223556.db2.gz QKKMDTFCSUPHCZ-IBGZPJMESA-N 2 0 341.499 2.118 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001439925921 1093004888 /nfs/dbraw/zinc/00/48/88/1093004888.db2.gz QGXXEMUQCRSJIC-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](C[C@@H](F)CC)CC2 ZINC001440238381 1093325598 /nfs/dbraw/zinc/32/55/98/1093325598.db2.gz JXQWSTOPGIAJKV-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001440246002 1093336482 /nfs/dbraw/zinc/33/64/82/1093336482.db2.gz ZHJFPLKNRFTCSD-UHFFFAOYSA-N 2 0 348.491 2.056 10 0 EEAERP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001448435769 1093447893 /nfs/dbraw/zinc/44/78/93/1093447893.db2.gz YAQUPZJNIHCYIP-XLAORIBOSA-N 2 0 335.536 2.304 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001448473513 1093489083 /nfs/dbraw/zinc/48/90/83/1093489083.db2.gz QJVGBYHXANVBQT-IXDOHACOSA-N 2 0 325.472 2.049 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC001448479818 1093500098 /nfs/dbraw/zinc/50/00/98/1093500098.db2.gz OTJRWYXWFNMSJB-KURKYZTESA-N 2 0 333.520 2.299 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001440362891 1093526943 /nfs/dbraw/zinc/52/69/43/1093526943.db2.gz PGVBLSNPTKNBNS-DWRORGKVSA-N 2 0 344.503 2.247 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001448595362 1093655073 /nfs/dbraw/zinc/65/50/73/1093655073.db2.gz MACDQTRUAGOGQA-IRXDYDNUSA-N 2 0 348.491 2.184 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001440469867 1093695989 /nfs/dbraw/zinc/69/59/89/1093695989.db2.gz SDRBOQCSOODCGM-MOPGFXCFSA-N 2 0 346.519 2.482 10 0 EEAERP Cc1ccc(CCC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001440497908 1093738379 /nfs/dbraw/zinc/73/83/79/1093738379.db2.gz PTAKYOVOQNURRP-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC(F)(F)C1 ZINC001448683310 1093748604 /nfs/dbraw/zinc/74/86/04/1093748604.db2.gz PYJCGLBSDQSHNJ-AWEZNQCLSA-N 2 0 343.462 2.344 10 0 EEAERP CC[NH2+]C1(CC)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001440519730 1093770838 /nfs/dbraw/zinc/77/08/38/1093770838.db2.gz JXKOJLDZHDEKEW-UHFFFAOYSA-N 2 0 327.432 2.262 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CC[NH+](C)C)C3)o1 ZINC001440537520 1093802502 /nfs/dbraw/zinc/80/25/02/1093802502.db2.gz KICHCKFAEUXWMQ-APWZRJJASA-N 2 0 348.491 2.310 10 0 EEAERP CCCOc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001448777717 1093855904 /nfs/dbraw/zinc/85/59/04/1093855904.db2.gz DIXLVCDUDXHXDZ-SJLPKXTDSA-N 2 0 347.503 2.364 10 0 EEAERP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001440604273 1093869488 /nfs/dbraw/zinc/86/94/88/1093869488.db2.gz IDDLQAUPJHDEPB-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001440625678 1093896151 /nfs/dbraw/zinc/89/61/51/1093896151.db2.gz LTDBDLAEQVZFJK-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP CCC[NH2+][C@@H](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1 ZINC001449028282 1094036538 /nfs/dbraw/zinc/03/65/38/1094036538.db2.gz KBGCGIYQEMBRLX-SFHVURJKSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)o1 ZINC001449066444 1094082176 /nfs/dbraw/zinc/08/21/76/1094082176.db2.gz SCLLFELVCCHZQM-JKSUJKDBSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001440843677 1094100819 /nfs/dbraw/zinc/10/08/19/1094100819.db2.gz UZTPUKJTHDYSPT-QWHCGFSZSA-N 2 0 333.467 2.492 10 0 EEAERP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001440926197 1094178737 /nfs/dbraw/zinc/17/87/37/1094178737.db2.gz RCHRTMFQFUROMM-CXAGYDPISA-N 2 0 335.517 2.335 10 0 EEAERP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001449376944 1094347775 /nfs/dbraw/zinc/34/77/75/1094347775.db2.gz VGJWYXFHLDLYGQ-AWEZNQCLSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cs1 ZINC001441315025 1094769218 /nfs/dbraw/zinc/76/92/18/1094769218.db2.gz MTJGIVCFZPUYMD-DDBAPUKQSA-N 2 0 347.528 2.192 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3coc(C)n3)C[C@H]2C1 ZINC001441343313 1094847093 /nfs/dbraw/zinc/84/70/93/1094847093.db2.gz UGBUFGBILJDLPU-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCC(C)CC1 ZINC001441345690 1094851678 /nfs/dbraw/zinc/85/16/78/1094851678.db2.gz ZRMMJGWKJKWKKJ-SJORKVTESA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccnn1C ZINC001441556416 1095298897 /nfs/dbraw/zinc/29/88/97/1095298897.db2.gz LQWRXEPOHFOHTB-OAHLLOKOSA-N 2 0 349.523 2.010 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC001441658540 1095624005 /nfs/dbraw/zinc/62/40/05/1095624005.db2.gz OCDWZXRIBMUDBU-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1OC1CC1 ZINC001441843965 1095921919 /nfs/dbraw/zinc/92/19/19/1095921919.db2.gz PRRMXIKXIZMCNW-HNNXBMFYSA-N 2 0 345.487 2.306 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cncs2)CC3)CC1 ZINC001441876234 1095997956 /nfs/dbraw/zinc/99/79/56/1095997956.db2.gz PUFLROKUUWYRQO-QAPCUYQASA-N 2 0 348.516 2.098 10 0 EEAERP CCC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001441902142 1096062472 /nfs/dbraw/zinc/06/24/72/1096062472.db2.gz XHAXSOWAAIWICT-NZSAHSFTSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc2cccnc21 ZINC001441953391 1096153440 /nfs/dbraw/zinc/15/34/40/1096153440.db2.gz RHYLUJNXGVZYRA-JKSUJKDBSA-N 2 0 340.471 2.171 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001442233515 1096533997 /nfs/dbraw/zinc/53/39/97/1096533997.db2.gz MQMOUIFBGHKXEO-HWOWSKLDSA-N 2 0 343.462 2.485 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001442259581 1096562124 /nfs/dbraw/zinc/56/21/24/1096562124.db2.gz RVRICVQMMDUDOD-CRAIPNDOSA-N 2 0 349.523 2.241 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001442290118 1096604335 /nfs/dbraw/zinc/60/43/35/1096604335.db2.gz SOHIMVQIHAUWKG-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](c1ccc(F)cc1F)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442570172 1096934209 /nfs/dbraw/zinc/93/42/09/1096934209.db2.gz AKQZCOROPHWVAT-UONOGXRCSA-N 2 0 339.430 2.416 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001442750164 1097126765 /nfs/dbraw/zinc/12/67/65/1097126765.db2.gz JSXPZOAEWCDKKA-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442910119 1097317066 /nfs/dbraw/zinc/31/70/66/1097317066.db2.gz LMVNWMXFDQXTDR-SFHVURJKSA-N 2 0 343.515 2.325 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001443239744 1097707273 /nfs/dbraw/zinc/70/72/73/1097707273.db2.gz RNAWFLNNXRKKCK-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C/C=C/Cl)C2)CC[N@@H+]1C ZINC001443319517 1097807875 /nfs/dbraw/zinc/80/78/75/1097807875.db2.gz FFELIAZCSDGLKV-ZPCLDPMFSA-N 2 0 327.900 2.250 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1C ZINC001443918112 1098439427 /nfs/dbraw/zinc/43/94/27/1098439427.db2.gz PSGWCFQIUSCVGR-OALUTQOASA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001479525946 1098591703 /nfs/dbraw/zinc/59/17/03/1098591703.db2.gz OFBSVIGZSDVFOH-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+][C@H](C)c2cnc(C)cn2)CCCC1)[NH+](C)C ZINC001444072687 1098596674 /nfs/dbraw/zinc/59/66/74/1098596674.db2.gz PKLIHRJFUCAMJA-NVXWUHKLSA-N 2 0 347.507 2.205 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001444218626 1098778568 /nfs/dbraw/zinc/77/85/68/1098778568.db2.gz IMGNYWFTEKBWSF-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)co1 ZINC001444313080 1098872849 /nfs/dbraw/zinc/87/28/49/1098872849.db2.gz YPMLXMNWCNQEAV-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ccc(CCC[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001479790269 1098994815 /nfs/dbraw/zinc/99/48/15/1098994815.db2.gz ZWFFFSUYVWVSRI-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479835479 1099118568 /nfs/dbraw/zinc/11/85/68/1099118568.db2.gz VZWOOBQFVCNKTR-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444583002 1099404632 /nfs/dbraw/zinc/40/46/32/1099404632.db2.gz JHJVMZNUNYTSGJ-BBRMVZONSA-N 2 0 346.500 2.327 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001444669344 1099509611 /nfs/dbraw/zinc/50/96/11/1099509611.db2.gz GPXGJTLDXDLPTG-BQFCYCMXSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001480049336 1099557213 /nfs/dbraw/zinc/55/72/13/1099557213.db2.gz BICZJXNCGQQXEU-KBXCAEBGSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001480060243 1099584179 /nfs/dbraw/zinc/58/41/79/1099584179.db2.gz LZUCPRJYPZQTOF-IBGZPJMESA-N 2 0 341.499 2.384 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001444762987 1099653893 /nfs/dbraw/zinc/65/38/93/1099653893.db2.gz KHUZQCORAYOAAV-JKSUJKDBSA-N 2 0 336.480 2.088 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001480166915 1099742830 /nfs/dbraw/zinc/74/28/30/1099742830.db2.gz FCILAFZQUGTSPA-SHTZXODSSA-N 2 0 338.883 2.204 10 0 EEAERP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001480180712 1099766083 /nfs/dbraw/zinc/76/60/83/1099766083.db2.gz HJFNXXGANBFVTF-GOOCMWNKSA-N 2 0 336.505 2.097 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001480189529 1099788529 /nfs/dbraw/zinc/78/85/29/1099788529.db2.gz OJOVOQRQUODXTJ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001480384428 1100180906 /nfs/dbraw/zinc/18/09/06/1100180906.db2.gz WBFWNPKXBJKXCI-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001480404828 1100219193 /nfs/dbraw/zinc/21/91/93/1100219193.db2.gz NXPJPVUJNWLQKV-UHFFFAOYSA-N 2 0 337.508 2.057 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)C12CC[NH+](CC1)C2 ZINC001445074477 1100281660 /nfs/dbraw/zinc/28/16/60/1100281660.db2.gz WCEFQVQSKIYOHK-UHFFFAOYSA-N 2 0 340.471 2.154 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001480492467 1100304519 /nfs/dbraw/zinc/30/45/19/1100304519.db2.gz KTKNSCDTTMMCCD-GDBMZVCRSA-N 2 0 338.521 2.166 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)C[NH+]1CCCC1 ZINC001445087077 1100304700 /nfs/dbraw/zinc/30/47/00/1100304700.db2.gz SGENIDQQKZZOSP-UHFFFAOYSA-N 2 0 329.488 2.161 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001445111973 1100351426 /nfs/dbraw/zinc/35/14/26/1100351426.db2.gz IMKOEIXRTFOJRN-NVXWUHKLSA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001445111946 1100351562 /nfs/dbraw/zinc/35/15/62/1100351562.db2.gz IMKOEIXRTFOJRN-DOTOQJQBSA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001445111992 1100352303 /nfs/dbraw/zinc/35/23/03/1100352303.db2.gz IMKOEIXRTFOJRN-WBVHZDCISA-N 2 0 348.466 2.080 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]C/C=C\Cl ZINC001480541274 1100370358 /nfs/dbraw/zinc/37/03/58/1100370358.db2.gz VLVJEILWVIKMHR-HSPYSMEGSA-N 2 0 335.879 2.179 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1cnc(C)cn1)C(=O)CC1CC[NH+](C)CC1 ZINC001445303317 1100534274 /nfs/dbraw/zinc/53/42/74/1100534274.db2.gz DGAJYSJAMWJOFO-MRXNPFEDSA-N 2 0 347.507 2.016 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001446415622 1100825642 /nfs/dbraw/zinc/82/56/42/1100825642.db2.gz FJUBILQPDTXRGZ-DLBZAZTESA-N 2 0 332.492 2.199 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496290616 1100875440 /nfs/dbraw/zinc/87/54/40/1100875440.db2.gz YNQYMEGLPZLCAL-LPHOPBHVSA-N 2 0 346.519 2.352 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001446504363 1100953139 /nfs/dbraw/zinc/95/31/39/1100953139.db2.gz XJIUDSYRKUDHLK-LPHOPBHVSA-N 2 0 344.503 2.188 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)o1 ZINC001495294512 1100994795 /nfs/dbraw/zinc/99/47/95/1100994795.db2.gz SRZNHNHOPXVNJX-KXBFYZLASA-N 2 0 348.491 2.008 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1 ZINC001496427372 1101018608 /nfs/dbraw/zinc/01/86/08/1101018608.db2.gz KITSSSSPBUFTNK-MRXNPFEDSA-N 2 0 336.505 2.100 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001495473186 1101183501 /nfs/dbraw/zinc/18/35/01/1101183501.db2.gz CBFPIYBEOXJOLI-IYARVYRRSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001495734587 1101501337 /nfs/dbraw/zinc/50/13/37/1101501337.db2.gz OULVFOQETMLORX-KDOFPFPSSA-N 2 0 335.467 2.497 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001495807531 1101622633 /nfs/dbraw/zinc/62/26/33/1101622633.db2.gz DQPIQABUMDALGX-CQSZACIVSA-N 2 0 331.451 2.250 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001495809028 1101624095 /nfs/dbraw/zinc/62/40/95/1101624095.db2.gz OIXJRLQUFAYWLF-MRXNPFEDSA-N 2 0 332.492 2.143 10 0 EEAERP CO[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001447095224 1101982703 /nfs/dbraw/zinc/98/27/03/1101982703.db2.gz VPXCOXOKEMBMOU-ADHGMGHFSA-N 2 0 339.524 2.016 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001447248285 1102291049 /nfs/dbraw/zinc/29/10/49/1102291049.db2.gz RHSLQNPNVXIBEM-ZBFHGGJFSA-N 2 0 348.516 2.289 10 0 EEAERP CCN(CC[NH2+]CCCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001497447674 1102503612 /nfs/dbraw/zinc/50/36/12/1102503612.db2.gz OPSBVPTYDGWGMH-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CCC1([NH2+]Cc2conc2C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001447427417 1102634224 /nfs/dbraw/zinc/63/42/24/1102634224.db2.gz KRCCFKGSTUZZRN-HNNXBMFYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C)cc1F ZINC001497612370 1102750460 /nfs/dbraw/zinc/75/04/60/1102750460.db2.gz AIPJQSGQSWNWES-SHCNBLLESA-N 2 0 333.451 2.380 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497678771 1102888732 /nfs/dbraw/zinc/88/87/32/1102888732.db2.gz GCTQKRYVDWALID-VOTSOKGWSA-N 2 0 332.492 2.130 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC1 ZINC001447752836 1103235908 /nfs/dbraw/zinc/23/59/08/1103235908.db2.gz VTNPZCYWNAXXOG-UYAOXDASSA-N 2 0 329.488 2.499 10 0 EEAERP C[N@H+](CCc1cccs1)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494179939 1103656652 /nfs/dbraw/zinc/65/66/52/1103656652.db2.gz HJNUTLCHLPAGSE-CVEARBPZSA-N 2 0 335.517 2.023 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1cnccn1 ZINC001448220217 1104203534 /nfs/dbraw/zinc/20/35/34/1104203534.db2.gz LMYQMCJVJULBCE-DLBZAZTESA-N 2 0 347.507 2.096 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001494632268 1104215972 /nfs/dbraw/zinc/21/59/72/1104215972.db2.gz GURGZBGPHNVGER-QGZVFWFLSA-N 2 0 343.515 2.180 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(N(C)C)c2)C1)[NH+](C)C ZINC001448343201 1104430970 /nfs/dbraw/zinc/43/09/70/1104430970.db2.gz YGJPIPKNWWDUGU-KXBFYZLASA-N 2 0 346.519 2.029 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001494919204 1104555994 /nfs/dbraw/zinc/55/59/94/1104555994.db2.gz OZXYPVKPBBLTHA-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCCCCC1 ZINC001494950047 1104594324 /nfs/dbraw/zinc/59/43/24/1104594324.db2.gz PTKSOTWZAMNDHA-FUHWJXTLSA-N 2 0 339.524 2.304 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1Cl ZINC001497992999 1106750976 /nfs/dbraw/zinc/75/09/76/1106750976.db2.gz LXSYVMIZKIZUEI-GFCCVEGCSA-N 2 0 329.847 2.414 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)C1)[NH+](C)C ZINC001480623111 1106784955 /nfs/dbraw/zinc/78/49/55/1106784955.db2.gz PJZRWKUGXZYTQT-RBUKOAKNSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498059394 1106861149 /nfs/dbraw/zinc/86/11/49/1106861149.db2.gz CRCFGLXDQLHJIN-ROUUACIJSA-N 2 0 347.503 2.261 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001498132593 1106964662 /nfs/dbraw/zinc/96/46/62/1106964662.db2.gz QBKYRQAHTGGXEH-ZFWWWQNUSA-N 2 0 336.480 2.150 10 0 EEAERP CCCCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001480725862 1106979244 /nfs/dbraw/zinc/97/92/44/1106979244.db2.gz YDTDLFGAYAJLQQ-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001480809206 1107156887 /nfs/dbraw/zinc/15/68/87/1107156887.db2.gz UJOOBOXOJZLVNK-HNAYVOBHSA-N 2 0 329.488 2.111 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@H]2CCCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001480826622 1107205320 /nfs/dbraw/zinc/20/53/20/1107205320.db2.gz MIIWXJFDHFBHCW-IAGOWNOFSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480832586 1107224692 /nfs/dbraw/zinc/22/46/92/1107224692.db2.gz BXWSRNSMYZUUGE-MSOLQXFVSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001498374201 1107412314 /nfs/dbraw/zinc/41/23/14/1107412314.db2.gz CUEGGRVJAAINSE-STQMWFEESA-N 2 0 327.419 2.414 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC001493058887 1107415986 /nfs/dbraw/zinc/41/59/86/1107415986.db2.gz SLZMPYIQIALGNC-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493233055 1107736859 /nfs/dbraw/zinc/73/68/59/1107736859.db2.gz ILGISSUOSJMRFC-KRWDZBQOSA-N 2 0 346.519 2.403 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498598379 1107785115 /nfs/dbraw/zinc/78/51/15/1107785115.db2.gz ZFDSZBOAUDTJIF-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001493262075 1107805220 /nfs/dbraw/zinc/80/52/20/1107805220.db2.gz CZRISGMSZXHZBA-GOSISDBHSA-N 2 0 345.487 2.038 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)s1 ZINC001498621317 1107826000 /nfs/dbraw/zinc/82/60/00/1107826000.db2.gz MJMIZKSZCFDOQD-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001493613305 1108404875 /nfs/dbraw/zinc/40/48/75/1108404875.db2.gz NCFLHGUBKYCRSM-UHFFFAOYSA-N 2 0 329.488 2.480 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793750 1108673307 /nfs/dbraw/zinc/67/33/07/1108673307.db2.gz LNVIOTVWWGSANI-QZTJIDSGSA-N 2 0 329.488 2.106 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC001468885174 1110481680 /nfs/dbraw/zinc/48/16/80/1110481680.db2.gz FFTNJCICFUXZGG-CYBMUJFWSA-N 2 0 325.428 2.292 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001479375660 1110688342 /nfs/dbraw/zinc/68/83/42/1110688342.db2.gz RYOVAWASTARQSP-WBAXXEDZSA-N 2 0 348.466 2.080 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CC[NH+](CCCF)C2)CC1 ZINC001499477769 1112308481 /nfs/dbraw/zinc/30/84/81/1112308481.db2.gz HMQFAHRERQZXHJ-KRWDZBQOSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@H](C(=O)N[C@H](C[NH2+]CCF)C1CCCC1)[NH+]1CCCCCC1 ZINC001500114657 1112623795 /nfs/dbraw/zinc/62/37/95/1112623795.db2.gz KVXWGVSTMSSJSG-NVXWUHKLSA-N 2 0 327.488 2.485 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCOC)C1 ZINC001500499126 1112890511 /nfs/dbraw/zinc/89/05/11/1112890511.db2.gz SEKIHCOHKQTXBH-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001500519945 1112912075 /nfs/dbraw/zinc/91/20/75/1112912075.db2.gz VQGUXWAFJYGTGW-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@H]3[C@H]2CCCN3C(=O)C[N@@H+](C)C(C)C)c1 ZINC001501407882 1113348088 /nfs/dbraw/zinc/34/80/88/1113348088.db2.gz KOPUDMXNCJYJDQ-MOPGFXCFSA-N 2 0 344.503 2.296 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001501581910 1113390375 /nfs/dbraw/zinc/39/03/75/1113390375.db2.gz NARNCVMCGSQGLT-ILNGBFOMSA-N 2 0 339.911 2.443 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]Cc2ccsc2)C1)C12CC[NH+](CC1)C2 ZINC001501638442 1113410063 /nfs/dbraw/zinc/41/00/63/1113410063.db2.gz WNXHOAALUGRFPF-HNNXBMFYSA-N 2 0 333.501 2.172 10 0 EEAERP O=C(NCC1([NH2+]C/C=C/Cl)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008761 1113557012 /nfs/dbraw/zinc/55/70/12/1113557012.db2.gz PZGXJPLCHHZQNG-GAWCXUJUSA-N 2 0 325.884 2.384 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1C ZINC001502986350 1113867599 /nfs/dbraw/zinc/86/75/99/1113867599.db2.gz KKDCOVPUMJIAFO-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP CCCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001503723503 1113903418 /nfs/dbraw/zinc/90/34/18/1113903418.db2.gz LFOQBIKNZNOMDF-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001505537767 1114039417 /nfs/dbraw/zinc/03/94/17/1114039417.db2.gz LKQHRCVYZPEEDW-UHFFFAOYSA-N 2 0 335.467 2.459 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCC(F)(F)F)C[C@H]21 ZINC001506793858 1114884303 /nfs/dbraw/zinc/88/43/03/1114884303.db2.gz OIRVGBOBZPWNLE-ZQDZILKHSA-N 2 0 347.425 2.107 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001506945986 1114994206 /nfs/dbraw/zinc/99/42/06/1114994206.db2.gz YUCYPIWEDXJTHW-INIZCTEOSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001507095203 1115105222 /nfs/dbraw/zinc/10/52/22/1115105222.db2.gz KFQACAJQGIOTRT-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001507149911 1115134666 /nfs/dbraw/zinc/13/46/66/1115134666.db2.gz SGTPCALRFUQZKR-QFBILLFUSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001507288436 1115175363 /nfs/dbraw/zinc/17/53/63/1115175363.db2.gz FDQIMGYKXDRVFO-IEBWSBKVSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001507288437 1115175568 /nfs/dbraw/zinc/17/55/68/1115175568.db2.gz FDQIMGYKXDRVFO-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)CC[NH+](C)C ZINC001507315737 1115188158 /nfs/dbraw/zinc/18/81/58/1115188158.db2.gz CDGFBHXVNANIKO-YJBOKZPZSA-N 2 0 335.467 2.289 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)c1 ZINC001507317459 1115189627 /nfs/dbraw/zinc/18/96/27/1115189627.db2.gz GYRQYCBGVJOHKL-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001507831129 1115354448 /nfs/dbraw/zinc/35/44/48/1115354448.db2.gz CCLQIJDMLJIFRW-UHFFFAOYSA-N 2 0 346.519 2.401 10 0 EEAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001508224946 1115451910 /nfs/dbraw/zinc/45/19/10/1115451910.db2.gz KROKVBYBHQYZCS-INIZCTEOSA-N 2 0 325.472 2.215 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567943220 1124197060 /nfs/dbraw/zinc/19/70/60/1124197060.db2.gz ZQEPGQKFVRNSRP-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001568068357 1124273317 /nfs/dbraw/zinc/27/33/17/1124273317.db2.gz VJCYQEAFLBZFMK-PKOBYXMFSA-N 2 0 346.519 2.386 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001568088885 1124292905 /nfs/dbraw/zinc/29/29/05/1124292905.db2.gz FSXGIHNGQKTWOP-VCELZJIISA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001568112911 1124309381 /nfs/dbraw/zinc/30/93/81/1124309381.db2.gz OOCBTNWKWXAIBG-IYARVYRRSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001568118690 1124312109 /nfs/dbraw/zinc/31/21/09/1124312109.db2.gz BNMVBJFWLSCSPJ-ZWKOTPCHSA-N 2 0 333.451 2.379 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001566614664 1124487043 /nfs/dbraw/zinc/48/70/43/1124487043.db2.gz CGODTAZZXWDAGT-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001568428240 1124496429 /nfs/dbraw/zinc/49/64/29/1124496429.db2.gz DSGQCCWLKFVVAE-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001568633322 1124647622 /nfs/dbraw/zinc/64/76/22/1124647622.db2.gz CJXHZHVYVCLRBT-GZBFAFLISA-N 2 0 338.521 2.030 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001568651109 1124662037 /nfs/dbraw/zinc/66/20/37/1124662037.db2.gz JOCMGBACSIEMJR-CJNGLKHVSA-N 2 0 332.448 2.166 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC001568669450 1124683946 /nfs/dbraw/zinc/68/39/46/1124683946.db2.gz PVMSUZWFICWNAH-XEZPLFJOSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568678532 1124690802 /nfs/dbraw/zinc/69/08/02/1124690802.db2.gz UABFEHOKPAOZPJ-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]CC[C@H]2CCCO2)ccc2c[nH+]cn21 ZINC001568877546 1124903199 /nfs/dbraw/zinc/90/31/99/1124903199.db2.gz NNEPXNFPLYLNBI-BAHPRDJBSA-N 2 0 342.443 2.087 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899152 1124926849 /nfs/dbraw/zinc/92/68/49/1124926849.db2.gz TWXYYHLFPDOSGF-PLNGDYQASA-N 2 0 336.505 2.088 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1 ZINC001568964785 1125000976 /nfs/dbraw/zinc/00/09/76/1125000976.db2.gz WMVWHPVORXLKKX-UPHRSURJSA-N 2 0 338.455 2.093 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21 ZINC001568964811 1125002141 /nfs/dbraw/zinc/00/21/41/1125002141.db2.gz XOEKTOCCZUDRQQ-ZRHASKPBSA-N 2 0 327.472 2.422 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001568997030 1125029589 /nfs/dbraw/zinc/02/95/89/1125029589.db2.gz DIDLDUFZCFWITK-QGZVFWFLSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC001569203050 1125161903 /nfs/dbraw/zinc/16/19/03/1125161903.db2.gz NVXHNDFWMUNTFP-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ccc(OCC[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001569204099 1125162470 /nfs/dbraw/zinc/16/24/70/1125162470.db2.gz AMWBCMADCGVVCZ-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001569209732 1125166042 /nfs/dbraw/zinc/16/60/42/1125166042.db2.gz IGCQPTJMFVBTLB-UHFFFAOYSA-N 2 0 336.480 2.220 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)oc1C ZINC001569228715 1125180773 /nfs/dbraw/zinc/18/07/73/1125180773.db2.gz HIKPKNUBWSUPLM-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569267299 1125206868 /nfs/dbraw/zinc/20/68/68/1125206868.db2.gz QSKOZZYNDDAEOX-GOSISDBHSA-N 2 0 340.471 2.125 10 0 EEAERP C[NH2+][C@@H](CCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000053937639 214206211 /nfs/dbraw/zinc/20/62/11/214206211.db2.gz NHYRUFOLMAWSKW-HNNXBMFYSA-N 2 0 326.282 2.347 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccccc1 ZINC000416031164 283127448 /nfs/dbraw/zinc/12/74/48/283127448.db2.gz OBGUMWXLPNPPGN-BFHYXJOUSA-N 2 0 344.381 2.011 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@@H]2CCC[C@H]21 ZINC000367613046 283135652 /nfs/dbraw/zinc/13/56/52/283135652.db2.gz FBIDIOZRUHUSRK-YESZJQIVSA-N 2 0 331.508 2.400 10 0 EEAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000036170804 213074663 /nfs/dbraw/zinc/07/46/63/213074663.db2.gz NJBFNOPPTLPHKE-HNNXBMFYSA-N 2 0 326.282 2.475 10 0 EEAERP CC(C)[NH+]1CCN([C@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000036170805 213073885 /nfs/dbraw/zinc/07/38/85/213073885.db2.gz NJBFNOPPTLPHKE-OAHLLOKOSA-N 2 0 326.282 2.475 10 0 EEAERP COc1c(C)cnc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000072267443 216086669 /nfs/dbraw/zinc/08/66/69/216086669.db2.gz SLBFYSGSYQSJAE-OAHLLOKOSA-N 2 0 335.492 2.232 10 0 EEAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422779223 240220829 /nfs/dbraw/zinc/22/08/29/240220829.db2.gz FLIGHXIHKMLUSP-VQTJNVASSA-N 2 0 329.488 2.139 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC000422811251 240239755 /nfs/dbraw/zinc/23/97/55/240239755.db2.gz OWAOOCDBZSETED-UONOGXRCSA-N 2 0 348.443 2.387 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)c1 ZINC000422879598 240270569 /nfs/dbraw/zinc/27/05/69/240270569.db2.gz VPKAERQLBBWDLD-ZRGWGRIASA-N 2 0 333.476 2.247 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000079733854 217251556 /nfs/dbraw/zinc/25/15/56/217251556.db2.gz WOHARVNLEFVULH-IEBWSBKVSA-N 2 0 346.519 2.333 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494894129 247034279 /nfs/dbraw/zinc/03/42/79/247034279.db2.gz RNIZBOBMXFLTOF-MJGOQNOKSA-N 2 0 327.472 2.053 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415065747 532973408 /nfs/dbraw/zinc/97/34/08/532973408.db2.gz HNGGZTHTOUJVSL-ZIAGYGMSSA-N 2 0 336.505 2.135 10 0 EEAERP COc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000416331788 533013389 /nfs/dbraw/zinc/01/33/89/533013389.db2.gz DNTNSSFFSWTGQV-GJZGRUSLSA-N 2 0 349.475 2.304 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854695 256244033 /nfs/dbraw/zinc/24/40/33/256244033.db2.gz TVAWWTTVEFONCP-WDSOQIARSA-N 2 0 344.503 2.290 10 0 EEAERP CCSCC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000273776708 256326284 /nfs/dbraw/zinc/32/62/84/256326284.db2.gz RTRQCVZQVQPHCG-KRWDZBQOSA-N 2 0 335.517 2.227 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000377329191 154145459 /nfs/dbraw/zinc/14/54/59/154145459.db2.gz FVLMKEWOQXHYHG-HNNXBMFYSA-N 2 0 333.480 2.078 10 0 EEAERP Cc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)n1 ZINC000187334306 160100008 /nfs/dbraw/zinc/10/00/08/160100008.db2.gz ONHLABUIZBOOAW-YOFSQIOKSA-N 2 0 328.504 2.441 10 0 EEAERP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342509685 161070607 /nfs/dbraw/zinc/07/06/07/161070607.db2.gz MVOPCUNTLIAGIH-IBGZPJMESA-N 2 0 344.503 2.169 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CN(C)C[C@H]3C)CC2)c1 ZINC000343190487 161111794 /nfs/dbraw/zinc/11/17/94/161111794.db2.gz FPIGKQIMHHSTST-TZIWHRDSSA-N 2 0 344.547 2.437 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)cc1OC ZINC000343598096 161150176 /nfs/dbraw/zinc/15/01/76/161150176.db2.gz UQOZCLWWLCLCDC-SJLPKXTDSA-N 2 0 349.519 2.456 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000352878066 162327497 /nfs/dbraw/zinc/32/74/97/162327497.db2.gz COIRBHNKFGSFTM-QGZVFWFLSA-N 2 0 345.553 2.045 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000354979324 163039597 /nfs/dbraw/zinc/03/95/97/163039597.db2.gz LEPPGVRKGLAKSO-NEWSRXKRSA-N 2 0 344.503 2.385 10 0 EEAERP CC[C@H]1C[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCO1 ZINC000355681407 163268179 /nfs/dbraw/zinc/26/81/79/163268179.db2.gz ZDLIRFHNZQGQRK-MJGOQNOKSA-N 2 0 347.503 2.273 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000375175503 167083788 /nfs/dbraw/zinc/08/37/88/167083788.db2.gz SCSUEZMBIJLKBN-MRXNPFEDSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272392640 274170141 /nfs/dbraw/zinc/17/01/41/274170141.db2.gz JMIZSEYEGGZFLK-UHOSZYNNSA-N 2 0 344.503 2.290 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccnn1-c1ccccc1)CC[NH+](C)C ZINC000290288504 275195295 /nfs/dbraw/zinc/19/52/95/275195295.db2.gz ZYQFXZRXIWFDAF-UHFFFAOYSA-N 2 0 329.492 2.188 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454719 277170155 /nfs/dbraw/zinc/17/01/55/277170155.db2.gz LQCXYQSQMOKUEN-QYZOEREBSA-N 2 0 335.536 2.484 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173824034 277740156 /nfs/dbraw/zinc/74/01/56/277740156.db2.gz PFGKZYUHTSMXAM-RTBURBONSA-N 2 0 348.535 2.399 10 0 EEAERP COc1cccc2c1CC[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)C2 ZINC000415056759 278034140 /nfs/dbraw/zinc/03/41/40/278034140.db2.gz QPDGCNAWBOQTOT-XBMUEBEBSA-N 2 0 343.515 2.359 10 0 EEAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376982751 288982073 /nfs/dbraw/zinc/98/20/73/288982073.db2.gz ZSACYIOTIINHNN-CPFNUKBASA-N 2 0 334.508 2.272 10 0 EEAERP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000420339618 295497948 /nfs/dbraw/zinc/49/79/48/295497948.db2.gz QYSSYSNWACYZCZ-LSDHHAIUSA-N 2 0 347.425 2.251 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000414732131 313071591 /nfs/dbraw/zinc/07/15/91/313071591.db2.gz FZYICRMLIFIZDO-UTUOFQBUSA-N 2 0 325.482 2.232 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000414939057 313113357 /nfs/dbraw/zinc/11/33/57/313113357.db2.gz JCGUVJDOHOQTKA-IPYPFGDCSA-N 2 0 335.448 2.009 10 0 EEAERP [NH3+][C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416811839 313322916 /nfs/dbraw/zinc/32/29/16/313322916.db2.gz DCARQVJYYFLQJJ-IRXDYDNUSA-N 2 0 342.443 2.416 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416899349 313354229 /nfs/dbraw/zinc/35/42/29/313354229.db2.gz FJYHPGJXTVUGTR-KDURUIRLSA-N 2 0 342.487 2.318 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417042045 313405290 /nfs/dbraw/zinc/40/52/90/313405290.db2.gz WGXHBAIZGPWQNT-GUDVDZBRSA-N 2 0 342.487 2.217 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000417845926 313616467 /nfs/dbraw/zinc/61/64/67/313616467.db2.gz IYRVFTQGBODONK-ROUUACIJSA-N 2 0 332.492 2.072 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000527362645 317189481 /nfs/dbraw/zinc/18/94/81/317189481.db2.gz CODGAJGOXMTSLO-UHFFFAOYSA-N 2 0 330.476 2.207 10 0 EEAERP CCOc1cc(C[NH2+]C[C@@H](C)CN2CCOCC2)c(F)cc1OC ZINC000527667709 317240446 /nfs/dbraw/zinc/24/04/46/317240446.db2.gz YWFFLDNFQFGQBN-CQSZACIVSA-N 2 0 340.439 2.291 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000563585249 319025878 /nfs/dbraw/zinc/02/58/78/319025878.db2.gz DXNDGRHPYJWZJP-MJGOQNOKSA-N 2 0 336.524 2.140 10 0 EEAERP CN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563610047 319029801 /nfs/dbraw/zinc/02/98/01/319029801.db2.gz XNGIBUBPLWSCPR-INIMBPLVSA-N 2 0 346.519 2.018 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000564848373 319117875 /nfs/dbraw/zinc/11/78/75/319117875.db2.gz VQMBMYGEEWQBAR-LJQANCHMSA-N 2 0 348.487 2.341 10 0 EEAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000565891068 319224306 /nfs/dbraw/zinc/22/43/06/319224306.db2.gz INQRVJWPRXITCD-DFEOGRTESA-N 2 0 333.451 2.377 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000566450790 319289120 /nfs/dbraw/zinc/28/91/20/319289120.db2.gz JQXKYQZBGUPJMX-XLIONFOSSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)Cc1ccccc1 ZINC000570233756 319647957 /nfs/dbraw/zinc/64/79/57/319647957.db2.gz MKNQPFNQOREEHA-HCXYKTFWSA-N 2 0 329.488 2.196 10 0 EEAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000575179862 320093484 /nfs/dbraw/zinc/09/34/84/320093484.db2.gz WSOMKPQVVQTIMK-QYZOEREBSA-N 2 0 341.430 2.477 10 0 EEAERP COc1ccccc1COC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000576979510 320221799 /nfs/dbraw/zinc/22/17/99/320221799.db2.gz FBINXZALQPDAPE-XVLXNVKGSA-N 2 0 348.487 2.178 10 0 EEAERP COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111063 320294560 /nfs/dbraw/zinc/29/45/60/320294560.db2.gz PMUPWOQLKWHODX-OXJNMPFZSA-N 2 0 343.471 2.338 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)C1CCSCC1)C(=O)NCC[NH+](C)C ZINC000354573855 465033828 /nfs/dbraw/zinc/03/38/28/465033828.db2.gz OCZJOGHHOVSVAQ-ZBFHGGJFSA-N 2 0 329.554 2.200 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358314201 465054565 /nfs/dbraw/zinc/05/45/65/465054565.db2.gz UZSODCVQFRQGMR-OWCLPIDISA-N 2 0 346.475 2.000 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000339241759 465160183 /nfs/dbraw/zinc/16/01/83/465160183.db2.gz YFOPBLIWXAXWCP-HNNXBMFYSA-N 2 0 332.473 2.237 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccncc2)CC[N@@H+]1C ZINC000552112447 468308555 /nfs/dbraw/zinc/30/85/55/468308555.db2.gz BWNOKZXLEJUZRW-WMZOPIPTSA-N 2 0 332.492 2.092 10 0 EEAERP COc1cc2c(c(C[NH2+]CC3CC[NH+](C[C@H](C)O)CC3)c1)O[C@@H](C)C2 ZINC000069434573 463245556 /nfs/dbraw/zinc/24/55/56/463245556.db2.gz AASZFGBJBJVHAH-GJZGRUSLSA-N 2 0 348.487 2.201 10 0 EEAERP CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000150739344 463418044 /nfs/dbraw/zinc/41/80/44/463418044.db2.gz TZWSQBGMFVQWPN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000590859851 468359014 /nfs/dbraw/zinc/35/90/14/468359014.db2.gz TWRYVTSOSSGPQB-ROUUACIJSA-N 2 0 336.524 2.234 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000057825518 463520980 /nfs/dbraw/zinc/52/09/80/463520980.db2.gz LJWNXLVYCJMWSX-QZTJIDSGSA-N 2 0 330.476 2.044 10 0 EEAERP COc1ccc(CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000109752284 463647530 /nfs/dbraw/zinc/64/75/30/463647530.db2.gz VHYGDBHFJLNNSK-IBGZPJMESA-N 2 0 331.504 2.340 10 0 EEAERP CC(C)CN(CC(F)(F)F)C(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152412679 463686929 /nfs/dbraw/zinc/68/69/29/463686929.db2.gz SBIWZBIHXIOXBH-CQSZACIVSA-N 2 0 337.430 2.307 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000261626907 463806890 /nfs/dbraw/zinc/80/68/90/463806890.db2.gz CPCUZQCXWHOORA-RBUKOAKNSA-N 2 0 345.487 2.002 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185490218 463832551 /nfs/dbraw/zinc/83/25/51/463832551.db2.gz UIIQLUCCXBIFTO-SFHVURJKSA-N 2 0 332.492 2.244 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268978045 463834294 /nfs/dbraw/zinc/83/42/94/463834294.db2.gz HDQCVFMYOMHOIS-HNNXBMFYSA-N 2 0 339.505 2.219 10 0 EEAERP CN(C)c1ccc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000178109913 463845738 /nfs/dbraw/zinc/84/57/38/463845738.db2.gz RPGMHHHTQNWSSC-QAPCUYQASA-N 2 0 330.476 2.107 10 0 EEAERP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261961644 463910856 /nfs/dbraw/zinc/91/08/56/463910856.db2.gz PRMGFPACXHQTHI-IPMKNSEASA-N 2 0 326.444 2.119 10 0 EEAERP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261991272 463920251 /nfs/dbraw/zinc/92/02/51/463920251.db2.gz SJPATFJMMKZEBT-DNVCBOLYSA-N 2 0 347.478 2.468 10 0 EEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000178750767 463962868 /nfs/dbraw/zinc/96/28/68/463962868.db2.gz CATBZDJHMOBTOB-HNNXBMFYSA-N 2 0 337.427 2.135 10 0 EEAERP CCn1cc(C[NH2+]C[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000284571786 464247140 /nfs/dbraw/zinc/24/71/40/464247140.db2.gz OYUTVCGVSVTJJK-QFBILLFUSA-N 2 0 342.491 2.342 10 0 EEAERP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000280989038 464289482 /nfs/dbraw/zinc/28/94/82/464289482.db2.gz WSWXHMWOAKSVLW-UQVNRYHBSA-N 2 0 344.499 2.417 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000237261279 464292738 /nfs/dbraw/zinc/29/27/38/464292738.db2.gz KACINWRCQBSICW-JZXOWHBKSA-N 2 0 345.487 2.466 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000281200362 464368107 /nfs/dbraw/zinc/36/81/07/464368107.db2.gz KCRQFIWLAVIKDB-GOSISDBHSA-N 2 0 335.467 2.439 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000189657741 464537603 /nfs/dbraw/zinc/53/76/03/464537603.db2.gz INAPEMCUPVYIDD-UHFFFAOYSA-N 2 0 338.471 2.371 10 0 EEAERP O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439835 464609861 /nfs/dbraw/zinc/60/98/61/464609861.db2.gz SRNXVEFGEONHIV-WOZUAGRISA-N 2 0 343.515 2.228 10 0 EEAERP c1cn(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000249032856 464832172 /nfs/dbraw/zinc/83/21/72/464832172.db2.gz RPLFXRKKFLPPRN-LDLYASANSA-N 2 0 325.460 2.453 10 0 EEAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000343191513 465486985 /nfs/dbraw/zinc/48/69/85/465486985.db2.gz HAESICFTFDJCGV-TVKQPGBESA-N 2 0 331.504 2.336 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338003314 465742137 /nfs/dbraw/zinc/74/21/37/465742137.db2.gz VOIJXULLUDBQIX-AABGKKOBSA-N 2 0 343.515 2.444 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2c[nH]nc2c1 ZINC000349060048 465945763 /nfs/dbraw/zinc/94/57/63/465945763.db2.gz DVDQIEWFTGWZRO-GOSISDBHSA-N 2 0 329.492 2.411 10 0 EEAERP CCOC(=O)C1([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]CC1 ZINC000591570362 468484446 /nfs/dbraw/zinc/48/44/46/468484446.db2.gz GAZMENFVWNXRBO-AWEZNQCLSA-N 2 0 343.431 2.001 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000361890734 466384061 /nfs/dbraw/zinc/38/40/61/466384061.db2.gz UWTGPOFWSGINIO-CYBMUJFWSA-N 2 0 349.866 2.028 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000341046243 466538735 /nfs/dbraw/zinc/53/87/35/466538735.db2.gz ANUIMFIKVRDVBL-IBGZPJMESA-N 2 0 345.487 2.479 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000368428984 466633711 /nfs/dbraw/zinc/63/37/11/466633711.db2.gz KFXUJLVUYSTMKI-BVYOLEPJSA-N 2 0 345.487 2.287 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415954959 466716978 /nfs/dbraw/zinc/71/69/78/466716978.db2.gz LJUZBUCWUKTRDB-KGLIPLIRSA-N 2 0 332.423 2.220 10 0 EEAERP C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000374734140 466728475 /nfs/dbraw/zinc/72/84/75/466728475.db2.gz NUPGMEDWOLVYFE-MRXNPFEDSA-N 2 0 334.508 2.154 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)([NH+](C)C)C1 ZINC000417210442 466803077 /nfs/dbraw/zinc/80/30/77/466803077.db2.gz DRKFGUFCINPZLC-VXNCWWDNSA-N 2 0 336.524 2.138 10 0 EEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417553651 466882399 /nfs/dbraw/zinc/88/23/99/466882399.db2.gz HOXSTXGYEYLMDP-IEBWSBKVSA-N 2 0 336.524 2.426 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417666112 466903702 /nfs/dbraw/zinc/90/37/02/466903702.db2.gz FCMWEKFWNMMGTH-GBESFXJTSA-N 2 0 342.487 2.044 10 0 EEAERP CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417945250 466997633 /nfs/dbraw/zinc/99/76/33/466997633.db2.gz QPOIKNIHRYXQPI-JKHFOPOESA-N 2 0 342.487 2.356 10 0 EEAERP CCN1CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004304 467018818 /nfs/dbraw/zinc/01/88/18/467018818.db2.gz YVHFPAIAPUMSSO-WKPIXPDZSA-N 2 0 342.846 2.261 10 0 EEAERP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418038785 467030810 /nfs/dbraw/zinc/03/08/10/467030810.db2.gz FWLGEUIVPDANEY-PKOBYXMFSA-N 2 0 332.492 2.324 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000418242877 467082934 /nfs/dbraw/zinc/08/29/34/467082934.db2.gz RAFRHVLVLMXYFA-HOTGVXAUSA-N 2 0 341.459 2.390 10 0 EEAERP CCN(C(=O)NC[C@H](C)C[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418462763 467114888 /nfs/dbraw/zinc/11/48/88/467114888.db2.gz BUDKBLIUUIXYSY-NUJGCVRESA-N 2 0 332.492 2.448 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000418550565 467127160 /nfs/dbraw/zinc/12/71/60/467127160.db2.gz HUCCJJUKSBSORS-KBXCAEBGSA-N 2 0 330.476 2.162 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000418550567 467127596 /nfs/dbraw/zinc/12/75/96/467127596.db2.gz HUCCJJUKSBSORS-KSSFIOAISA-N 2 0 330.476 2.162 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418583507 467131549 /nfs/dbraw/zinc/13/15/49/467131549.db2.gz AYOFYEDJAZSYPG-LMMKCTJWSA-N 2 0 344.503 2.290 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000418644842 467139887 /nfs/dbraw/zinc/13/98/87/467139887.db2.gz CQBHNJNREDMVRK-ZWKOTPCHSA-N 2 0 328.460 2.122 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000418660178 467142180 /nfs/dbraw/zinc/14/21/80/467142180.db2.gz YMLKKTLPNJDNJV-QUCCMNQESA-N 2 0 344.503 2.376 10 0 EEAERP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCCOc3ccccc3)C2)nn1 ZINC000415100878 467489791 /nfs/dbraw/zinc/48/97/91/467489791.db2.gz ARUSDEGRUTVKSG-KRWDZBQOSA-N 2 0 329.448 2.233 10 0 EEAERP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000528884625 467772411 /nfs/dbraw/zinc/77/24/11/467772411.db2.gz DFCKITRWRMGHPW-RTBURBONSA-N 2 0 329.488 2.357 10 0 EEAERP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC000514732463 467951701 /nfs/dbraw/zinc/95/17/01/467951701.db2.gz JJGCLJORWYDKJK-SFHVURJKSA-N 2 0 344.503 2.151 10 0 EEAERP Cn1c(CC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000530240494 467966716 /nfs/dbraw/zinc/96/67/16/467966716.db2.gz MBWVXDCPSPQDDO-QGZVFWFLSA-N 2 0 342.487 2.206 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(O)Cc3ccccc3C2)[C@@H](C)C1 ZINC000532234028 468105019 /nfs/dbraw/zinc/10/50/19/468105019.db2.gz VROUBISZGGPKPT-PXNSSMCTSA-N 2 0 346.515 2.243 10 0 EEAERP CSC1(CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582468806 468542878 /nfs/dbraw/zinc/54/28/78/468542878.db2.gz NFIUMYGHUIFWOY-INIZCTEOSA-N 2 0 349.479 2.450 10 0 EEAERP [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000557339431 468626574 /nfs/dbraw/zinc/62/65/74/468626574.db2.gz SHGZNANYNLGVDD-RDJZCZTQSA-N 2 0 334.464 2.446 10 0 EEAERP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000557339430 468626926 /nfs/dbraw/zinc/62/69/26/468626926.db2.gz SHGZNANYNLGVDD-NVXWUHKLSA-N 2 0 334.464 2.446 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000600706478 468627107 /nfs/dbraw/zinc/62/71/07/468627107.db2.gz FCCQVOKMIITOMB-IAGOWNOFSA-N 2 0 332.444 2.266 10 0 EEAERP c1c[nH]c([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)n1 ZINC000572112118 468886111 /nfs/dbraw/zinc/88/61/11/468886111.db2.gz FVJCVQOAXAUPPX-ACBHZAAOSA-N 2 0 339.487 2.305 10 0 EEAERP C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000584721171 468921478 /nfs/dbraw/zinc/92/14/78/468921478.db2.gz HWFCUZANKXXCBJ-WQCNXYOZSA-N 2 0 347.478 2.495 10 0 EEAERP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000593316272 468936579 /nfs/dbraw/zinc/93/65/79/468936579.db2.gz ODZSZYFONWFVNF-UHFFFAOYSA-N 2 0 342.443 2.268 10 0 EEAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000563171364 469187471 /nfs/dbraw/zinc/18/74/71/469187471.db2.gz ZYMUCZSLSSDRKA-KIWQZZOYSA-N 2 0 331.504 2.177 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000615853118 469328412 /nfs/dbraw/zinc/32/84/12/469328412.db2.gz FXDRGYDMFSERHM-LJQANCHMSA-N 2 0 348.535 2.389 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)c2)CC1 ZINC000625879033 469422681 /nfs/dbraw/zinc/42/26/81/469422681.db2.gz DNRUDFMNOKSVPX-WBVHZDCISA-N 2 0 345.491 2.091 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000604789371 469513509 /nfs/dbraw/zinc/51/35/09/469513509.db2.gz YPEGJEJLBGOHAU-WMZOPIPTSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH2+]CCOCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000629391968 469529508 /nfs/dbraw/zinc/52/95/08/469529508.db2.gz GLJFCFMNMCCXRI-UHFFFAOYSA-N 2 0 325.884 2.130 10 0 EEAERP C[N@H+](CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCCC1 ZINC000626934481 469760595 /nfs/dbraw/zinc/76/05/95/469760595.db2.gz GLCVLWSWCLESRN-KDURUIRLSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)([NH+](C)C)C1 ZINC000626945558 469765210 /nfs/dbraw/zinc/76/52/10/469765210.db2.gz KCRHJVASZVWZCX-OQIJWPOYSA-N 2 0 336.524 2.138 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000626991298 469779690 /nfs/dbraw/zinc/77/96/90/469779690.db2.gz FIZXBTGLWFPHBR-BPQIPLTHSA-N 2 0 332.492 2.337 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[NH2+]1 ZINC000626992249 469780690 /nfs/dbraw/zinc/78/06/90/469780690.db2.gz RQVUKNHVMDRYBE-UHOFOFEASA-N 2 0 338.883 2.382 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@@H]1c1ccccc1 ZINC000627006658 469787553 /nfs/dbraw/zinc/78/75/53/469787553.db2.gz ZBLDVHDWHWMGGD-BWPNAZKDSA-N 2 0 342.487 2.073 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133785 469820836 /nfs/dbraw/zinc/82/08/36/469820836.db2.gz SGNFUYMOXOGPJB-KRWDZBQOSA-N 2 0 348.466 2.184 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)[C@H](C)C1 ZINC000624102419 469841066 /nfs/dbraw/zinc/84/10/66/469841066.db2.gz VWJGEOQFYIDGNH-CABCVRRESA-N 2 0 334.451 2.263 10 0 EEAERP Cc1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000631040461 470054139 /nfs/dbraw/zinc/05/41/39/470054139.db2.gz RMZPXOODWSMNPV-UHFFFAOYSA-N 2 0 328.460 2.281 10 0 EEAERP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634707269 470283091 /nfs/dbraw/zinc/28/30/91/470283091.db2.gz CNGLWEQCTOSKTD-MOPGFXCFSA-N 2 0 326.525 2.246 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638836725 470300574 /nfs/dbraw/zinc/30/05/74/470300574.db2.gz VVSWTRNLKOVKMJ-XGXHKWSGSA-N 2 0 329.488 2.388 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000638850820 470304588 /nfs/dbraw/zinc/30/45/88/470304588.db2.gz JUVGIEHLLCENSH-KCITZHQASA-N 2 0 329.488 2.259 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000646296355 470594382 /nfs/dbraw/zinc/59/43/82/470594382.db2.gz GIRVEEMWWSPPDI-LZQZEXGQSA-N 2 0 343.471 2.089 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)c1cccn1C1CC[NH2+]CC1 ZINC000646469842 470652060 /nfs/dbraw/zinc/65/20/60/470652060.db2.gz VXGAWZVKVGETNU-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP Cc1c(CN(C)CC(=O)N2CCN(C)CC2)oc2c1cccc2C ZINC000649818769 470707847 /nfs/dbraw/zinc/70/78/47/470707847.db2.gz AEZWRBRSRTZLFZ-UHFFFAOYSA-N 2 0 329.444 2.255 10 0 EEAERP FC1(F)C[C@@]12CC[NH+](CC1(C[N@H+]3CC[C@@]4(CC4(F)F)C3)COC1)C2 ZINC000649907646 470740498 /nfs/dbraw/zinc/74/04/98/470740498.db2.gz WUSDTMNDICQENZ-HUUCEWRRSA-N 2 0 348.384 2.465 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cn1 ZINC000647189704 470852944 /nfs/dbraw/zinc/85/29/44/470852944.db2.gz KBVRPEVHFSHWCH-UHFFFAOYSA-N 2 0 341.503 2.296 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647328313 470883477 /nfs/dbraw/zinc/88/34/77/470883477.db2.gz QJKHBZBAEMQKSC-KRWDZBQOSA-N 2 0 341.503 2.433 10 0 EEAERP O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000647631061 470943063 /nfs/dbraw/zinc/94/30/63/470943063.db2.gz DYUWQMRINTZWBY-MSOLQXFVSA-N 2 0 342.418 2.190 10 0 EEAERP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC(=O)N1Cc1ccccc1 ZINC000647796608 470986523 /nfs/dbraw/zinc/98/65/23/470986523.db2.gz GGVAUCYWUMGFNI-WSIUPNEHSA-N 2 0 327.472 2.154 10 0 EEAERP O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899374 471010261 /nfs/dbraw/zinc/01/02/61/471010261.db2.gz IWTSZVAAWCHLOW-DOTOQJQBSA-N 2 0 335.879 2.420 10 0 EEAERP COc1cccc(CN(C)C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899745 471010885 /nfs/dbraw/zinc/01/08/85/471010885.db2.gz UVJWJLDFFVQUPP-HKUYNNGSSA-N 2 0 345.487 2.118 10 0 EEAERP COc1ccc(Br)cc1C1([NH2+]CCOCC[NH3+])CC1 ZINC000647995272 471040703 /nfs/dbraw/zinc/04/07/03/471040703.db2.gz KITACDXBQJDAAG-UHFFFAOYSA-N 2 0 329.238 2.012 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654551654 471067867 /nfs/dbraw/zinc/06/78/67/471067867.db2.gz UWVIZSKDQAHHOY-OPQOLIRYSA-N 2 0 334.508 2.319 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000651193157 471084642 /nfs/dbraw/zinc/08/46/42/471084642.db2.gz NSNZSJBYQSUJMV-QGZVFWFLSA-N 2 0 326.529 2.480 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000640941585 471130083 /nfs/dbraw/zinc/13/00/83/471130083.db2.gz QTRJMKXYFJPTLH-SJLPKXTDSA-N 2 0 336.524 2.282 10 0 EEAERP Nc1nc(NCc2ccccc2C[NH+]2CCCC2)c2c([nH+]1)CCCC2 ZINC000645103231 471137049 /nfs/dbraw/zinc/13/70/49/471137049.db2.gz NIGLNOZOXMAIJA-UHFFFAOYSA-N 2 0 337.471 2.567 10 0 EEAERP c1csc(N2CCC([NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)n1 ZINC000657455034 471141865 /nfs/dbraw/zinc/14/18/65/471141865.db2.gz FXECVJDKLZFJJE-UHFFFAOYSA-N 2 0 340.456 2.482 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652119441 471239060 /nfs/dbraw/zinc/23/90/60/471239060.db2.gz DUNKNPVQQUFSBR-KRWDZBQOSA-N 2 0 332.492 2.498 10 0 EEAERP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCOC1 ZINC000660447416 471345660 /nfs/dbraw/zinc/34/56/60/471345660.db2.gz JZIRLBVBBFBEOW-HAGHYFMRSA-N 2 0 330.472 2.102 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+](C)C)cc1 ZINC000663447095 471382525 /nfs/dbraw/zinc/38/25/25/471382525.db2.gz CDXPKHRLPUQZIG-SFHVURJKSA-N 2 0 332.492 2.055 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000653037023 471460782 /nfs/dbraw/zinc/46/07/82/471460782.db2.gz RKCISIVXWYIVFD-QGZVFWFLSA-N 2 0 341.565 2.298 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420566 471489663 /nfs/dbraw/zinc/48/96/63/471489663.db2.gz QNHXRKQGXPTBTA-BHIYHBOVSA-N 2 0 344.503 2.196 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)Cc1ccccc1 ZINC000653106656 471490384 /nfs/dbraw/zinc/49/03/84/471490384.db2.gz HOGQNDYOPSQGRV-HUUCEWRRSA-N 2 0 343.393 2.023 10 0 EEAERP [NH3+][C@@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000659371078 471596685 /nfs/dbraw/zinc/59/66/85/471596685.db2.gz YNQDXFUVIXIFAR-ZWKOTPCHSA-N 2 0 325.412 2.376 10 0 EEAERP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659382592 471600010 /nfs/dbraw/zinc/60/00/10/471600010.db2.gz QTTRDGHRBVHPBN-FUHWJXTLSA-N 2 0 329.488 2.260 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659445643 471632063 /nfs/dbraw/zinc/63/20/63/471632063.db2.gz JJVCQTVOTLBVFH-CGTJXYLNSA-N 2 0 332.492 2.162 10 0 EEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659457079 471636575 /nfs/dbraw/zinc/63/65/75/471636575.db2.gz XXDDNDCGKOVMIT-BMGDILEWSA-N 2 0 348.466 2.293 10 0 EEAERP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656269388 471660886 /nfs/dbraw/zinc/66/08/86/471660886.db2.gz PSTXDUDOQZHEPX-ZACQAIPSSA-N 2 0 332.492 2.138 10 0 EEAERP c1c(C[C@H]2CCC[NH2+]C2)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656455427 471722614 /nfs/dbraw/zinc/72/26/14/471722614.db2.gz GVADZSUBEFOZHC-MJGOQNOKSA-N 2 0 325.460 2.267 10 0 EEAERP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000664727868 471845913 /nfs/dbraw/zinc/84/59/13/471845913.db2.gz RSPRFBMCUXGETE-IBGZPJMESA-N 2 0 346.519 2.416 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000665367491 472022231 /nfs/dbraw/zinc/02/22/31/472022231.db2.gz YQVQZIJPIKGJMX-QGZVFWFLSA-N 2 0 336.524 2.377 10 0 EEAERP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000665368297 472022475 /nfs/dbraw/zinc/02/24/75/472022475.db2.gz WXPSERKJFBTDGE-ZCNNSNEGSA-N 2 0 341.499 2.417 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000665640118 472120615 /nfs/dbraw/zinc/12/06/15/472120615.db2.gz NVGAPSYYQWGLMU-HOTGVXAUSA-N 2 0 335.496 2.056 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530027077 485532548 /nfs/dbraw/zinc/53/25/48/485532548.db2.gz WPTCCHGVIASNNY-QGZVFWFLSA-N 2 0 345.487 2.374 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864648 485559206 /nfs/dbraw/zinc/55/92/06/485559206.db2.gz PEAUDTSLVJTYRE-UHFFFAOYSA-N 2 0 339.403 2.442 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673862480 485559552 /nfs/dbraw/zinc/55/95/52/485559552.db2.gz LFVWCIDOIAFYQY-CZUORRHYSA-N 2 0 326.404 2.016 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142287 485572547 /nfs/dbraw/zinc/57/25/47/485572547.db2.gz VRKOGPYXOFYGMJ-OXJNMPFZSA-N 3 0 331.504 2.073 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000676647895 486272398 /nfs/dbraw/zinc/27/23/98/486272398.db2.gz LEYGKPFOOWAMBL-CRAIPNDOSA-N 2 0 345.491 2.000 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000174779739 527830384 /nfs/dbraw/zinc/83/03/84/527830384.db2.gz LCKRFZFWEKSLKE-QAPCUYQASA-N 2 0 343.471 2.335 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000416183929 527966497 /nfs/dbraw/zinc/96/64/97/527966497.db2.gz MAIAUJKYBVOPEE-IRXDYDNUSA-N 2 0 329.488 2.376 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451374068 535158147 /nfs/dbraw/zinc/15/81/47/535158147.db2.gz SMMGOMHMCVXRTR-JMVFIXPQSA-N 2 0 331.504 2.119 10 0 EEAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422691903 535608951 /nfs/dbraw/zinc/60/89/51/535608951.db2.gz JCNBGVMZJNMSKR-WOJBJXKFSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccnn1CC1CCC1 ZINC000924635282 692975821 /nfs/dbraw/zinc/97/58/21/692975821.db2.gz ZMIJZGDHSJJZEX-INIZCTEOSA-N 2 0 333.524 2.360 10 0 EEAERP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2)C1 ZINC001485508995 1191819652 /nfs/dbraw/zinc/81/96/52/1191819652.db2.gz GFSCBISQFBWZEF-VQIMIIECSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001485537622 1191827403 /nfs/dbraw/zinc/82/74/03/1191827403.db2.gz QFZSJNRHTOOANB-KUHUBIRLSA-N 2 0 345.462 2.345 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001485658539 1191878562 /nfs/dbraw/zinc/87/85/62/1191878562.db2.gz SYVGGCYUHKIKKB-JENIJYKNSA-N 2 0 347.478 2.494 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001485695363 1191902561 /nfs/dbraw/zinc/90/25/61/1191902561.db2.gz JPKPWBGADGQUNT-NNUKFRKNSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722649 1191909851 /nfs/dbraw/zinc/90/98/51/1191909851.db2.gz OMCSDBOGBKAJJY-XNRPHZJLSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001485724227 1191910912 /nfs/dbraw/zinc/91/09/12/1191910912.db2.gz MUANEJYDGGAHLY-AWEZNQCLSA-N 2 0 336.455 2.080 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cc(C)on1 ZINC001485752244 1191932874 /nfs/dbraw/zinc/93/28/74/1191932874.db2.gz UZDZONXYJSQNBP-YOEHRIQHSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cccc(C)c1OCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266261925 1176051376 /nfs/dbraw/zinc/05/13/76/1176051376.db2.gz DSIUCERGNSCTLR-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001266336261 1176324135 /nfs/dbraw/zinc/32/41/35/1176324135.db2.gz MFSFWJIGHWGSBM-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001266562032 1176850322 /nfs/dbraw/zinc/85/03/22/1176850322.db2.gz MPGXHHDLKHIOSY-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP c1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H]4CCC5(C[NH2+]C5)O4)C3)nc2c1 ZINC001772528124 1177028948 /nfs/dbraw/zinc/02/89/48/1177028948.db2.gz BROTYWFXMWSUIH-LSDHHAIUSA-N 2 0 326.444 2.263 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000167521872 1177316538 /nfs/dbraw/zinc/31/65/38/1177316538.db2.gz DAACPQPTTHXGBJ-ZWKOTPCHSA-N 2 0 333.476 2.151 10 0 EEAERP Cc1oncc1C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001266787481 1177428592 /nfs/dbraw/zinc/42/85/92/1177428592.db2.gz IQAKHAULKIKSAE-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CCF)C2)CCCCC1 ZINC001266798023 1177448871 /nfs/dbraw/zinc/44/88/71/1177448871.db2.gz IZUXLQPWRGYWPR-MRXNPFEDSA-N 2 0 327.488 2.296 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266883001 1177699458 /nfs/dbraw/zinc/69/94/58/1177699458.db2.gz TUXHMJSYLBHGTG-HKUYNNGSSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267133439 1178305203 /nfs/dbraw/zinc/30/52/03/1178305203.db2.gz GWGTVKCOPJJBLS-ZDUSSCGKSA-N 2 0 341.415 2.237 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCN(Cc1ccnc(Cl)c1)C1CC1 ZINC001267338322 1178784462 /nfs/dbraw/zinc/78/44/62/1178784462.db2.gz UMCYPWOHOQQEKI-UHFFFAOYSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267437831 1179010956 /nfs/dbraw/zinc/01/09/56/1179010956.db2.gz YTPFZYCEAHNCFS-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001267454158 1179033414 /nfs/dbraw/zinc/03/34/14/1179033414.db2.gz VSVNUTMJSCQWMC-GOSISDBHSA-N 2 0 344.459 2.224 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456251 1179039297 /nfs/dbraw/zinc/03/92/97/1179039297.db2.gz RALMXAJJHZMUJO-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456438 1179039373 /nfs/dbraw/zinc/03/93/73/1179039373.db2.gz XIUXDRVDAGLFSE-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCc2cncn2C1)CC1CC(C)(C)C1 ZINC001480983412 1179423024 /nfs/dbraw/zinc/42/30/24/1179423024.db2.gz AFUVQQNWNUKVCW-INIZCTEOSA-N 2 0 332.492 2.320 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOc1cccc(C)c1 ZINC001267818656 1180577470 /nfs/dbraw/zinc/57/74/70/1180577470.db2.gz LLNQFKNOWMQMAD-GOSISDBHSA-N 2 0 347.503 2.200 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ccccc2F)CC1 ZINC001267914788 1180757565 /nfs/dbraw/zinc/75/75/65/1180757565.db2.gz NDHPBJDWNBTMIX-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001267971059 1180877100 /nfs/dbraw/zinc/87/71/00/1180877100.db2.gz YMSVSTRRPLWIDG-GOSISDBHSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001481507650 1181591945 /nfs/dbraw/zinc/59/19/45/1181591945.db2.gz CZCHOXQGYQJTCY-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268094335 1181732221 /nfs/dbraw/zinc/73/22/21/1181732221.db2.gz NRGWOTKWQYXRNV-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCCCF ZINC001268136104 1181791100 /nfs/dbraw/zinc/79/11/00/1181791100.db2.gz SPTDYZIQFFYREH-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001268138755 1181797692 /nfs/dbraw/zinc/79/76/92/1181797692.db2.gz CROCPYPYAJICMG-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001268216223 1182027851 /nfs/dbraw/zinc/02/78/51/1182027851.db2.gz BZBPIFSNICILTB-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](O)c1ccccc1)[NH+]1CCCCCC1 ZINC001691499733 1182050306 /nfs/dbraw/zinc/05/03/06/1182050306.db2.gz ASJFKKAECIOXBP-PKOBYXMFSA-N 2 0 347.503 2.033 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCC1 ZINC001691500452 1182066798 /nfs/dbraw/zinc/06/67/98/1182066798.db2.gz PCDRSAGBVZAYJC-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481696739 1182230668 /nfs/dbraw/zinc/23/06/68/1182230668.db2.gz STTRGXWDGXLVGA-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348576 1182304350 /nfs/dbraw/zinc/30/43/50/1182304350.db2.gz HRNDHJYDZMUHHV-HNAYVOBHSA-N 2 0 340.471 2.313 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001268372064 1182368253 /nfs/dbraw/zinc/36/82/53/1182368253.db2.gz AUZWXSMPXNENMW-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268403967 1182516133 /nfs/dbraw/zinc/51/61/33/1182516133.db2.gz OOYSIORXYPJFKV-IAGOWNOFSA-N 2 0 332.492 2.331 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451968 1182649206 /nfs/dbraw/zinc/64/92/06/1182649206.db2.gz SMMZKJWTRITPIK-RBSFLKMASA-N 2 0 331.451 2.200 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOc1c(C)cccc1C ZINC001481797916 1182715852 /nfs/dbraw/zinc/71/58/52/1182715852.db2.gz MAWHWQZNJGRIMR-ZWKOTPCHSA-N 2 0 347.503 2.261 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458718 1182739831 /nfs/dbraw/zinc/73/98/31/1182739831.db2.gz QPXJOFWECMEKPK-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(C)ccc1OC ZINC001481823693 1182743210 /nfs/dbraw/zinc/74/32/10/1182743210.db2.gz JWWMLINIZRGZFP-ZWKOTPCHSA-N 2 0 347.503 2.472 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001481983883 1183084422 /nfs/dbraw/zinc/08/44/22/1183084422.db2.gz WIRWRVFFLKSNSU-QGZVFWFLSA-N 2 0 344.503 2.142 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2nccs2)C1 ZINC001481987898 1183092021 /nfs/dbraw/zinc/09/20/21/1183092021.db2.gz NHCLHWPKQOFQEJ-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCc1cccc(F)c1 ZINC001482169773 1183496912 /nfs/dbraw/zinc/49/69/12/1183496912.db2.gz WCBFSFNGPZFISE-DOTOQJQBSA-N 2 0 335.467 2.052 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268644855 1183573852 /nfs/dbraw/zinc/57/38/52/1183573852.db2.gz CQKMZAMETZUQHU-KDOFPFPSSA-N 2 0 349.906 2.319 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268650051 1183577850 /nfs/dbraw/zinc/57/78/50/1183577850.db2.gz WUTNSSOTJBLOGP-DJIMGWMZSA-N 2 0 326.444 2.240 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001268691460 1183615213 /nfs/dbraw/zinc/61/52/13/1183615213.db2.gz ZUOHYTRUKIAZNS-INIZCTEOSA-N 2 0 331.504 2.370 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268746205 1183665515 /nfs/dbraw/zinc/66/55/15/1183665515.db2.gz IRNOWJYKSQJWCM-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268794144 1183710581 /nfs/dbraw/zinc/71/05/81/1183710581.db2.gz XEPKTAVITVDZTO-ZDUSSCGKSA-N 2 0 334.291 2.085 10 0 EEAERP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001268843126 1183760595 /nfs/dbraw/zinc/76/05/95/1183760595.db2.gz DMAACZQHBPOJRU-BDUNBXCCSA-N 2 0 330.476 2.240 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1)[NH+]1CCCCCC1 ZINC001268869017 1183777212 /nfs/dbraw/zinc/77/72/12/1183777212.db2.gz OVIRLZOJYWIXNL-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001268877414 1183785365 /nfs/dbraw/zinc/78/53/65/1183785365.db2.gz YJZUFUOHSUGWIN-DOTOQJQBSA-N 2 0 348.491 2.192 10 0 EEAERP CN(CCC[NH2+]CC/C=C/c1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945558 1183839288 /nfs/dbraw/zinc/83/92/88/1183839288.db2.gz FPOWCSVXLRSHCJ-SSGOSMAHSA-N 2 0 329.488 2.480 10 0 EEAERP CN(CCC[NH2+]CCCc1cccc(F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268945993 1183851140 /nfs/dbraw/zinc/85/11/40/1183851140.db2.gz KDIBLOXCOXVSBI-QGZVFWFLSA-N 2 0 335.467 2.148 10 0 EEAERP CC[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472173 1184292369 /nfs/dbraw/zinc/29/23/69/1184292369.db2.gz WMEYPWVIVIDFPA-CRAIPNDOSA-N 2 0 345.503 2.108 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001269639463 1184463168 /nfs/dbraw/zinc/46/31/68/1184463168.db2.gz WDUHUZPWCFYFAX-KDOFPFPSSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001269738597 1184576673 /nfs/dbraw/zinc/57/66/73/1184576673.db2.gz UAPZDHVDEXCBBN-UWWQBHOKSA-N 2 0 348.491 2.042 10 0 EEAERP CN1CCO[C@H](C(=O)N2CCC(CC[NH2+]CC3=CCCCC3)CC2)C1 ZINC001269837046 1184656506 /nfs/dbraw/zinc/65/65/06/1184656506.db2.gz BRUUTUIWIASJSF-IBGZPJMESA-N 2 0 349.519 2.036 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]cnc2C)c1 ZINC001482358630 1185506628 /nfs/dbraw/zinc/50/66/28/1185506628.db2.gz QKUBMMONKATHNR-KGLIPLIRSA-N 2 0 344.459 2.467 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001482386943 1185587290 /nfs/dbraw/zinc/58/72/90/1185587290.db2.gz JRDLYDXXMVWLMH-NVXWUHKLSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCCF)C2CCCCC2)C1 ZINC001482409531 1185637518 /nfs/dbraw/zinc/63/75/18/1185637518.db2.gz NHRFYOIHEPIJGA-RDJZCZTQSA-N 2 0 327.488 2.343 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001482445995 1185760062 /nfs/dbraw/zinc/76/00/62/1185760062.db2.gz NCFUWWWPIQUVGV-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1 ZINC001482454680 1185867101 /nfs/dbraw/zinc/86/71/01/1185867101.db2.gz IZCDLAUVWBAZAQ-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001271084239 1185868276 /nfs/dbraw/zinc/86/82/76/1185868276.db2.gz UNQHNEIKSOBPAI-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001271347138 1186152635 /nfs/dbraw/zinc/15/26/35/1186152635.db2.gz KMJJAGNLIXSHKP-GOSISDBHSA-N 2 0 339.524 2.019 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1coc(C)n1 ZINC001271601346 1186332256 /nfs/dbraw/zinc/33/22/56/1186332256.db2.gz XLVRCGRVQSGMNU-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001482495403 1186396749 /nfs/dbraw/zinc/39/67/49/1186396749.db2.gz OVQHSDPYTBSLPY-FUHWJXTLSA-N 2 0 349.523 2.075 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc2ccccc2o1 ZINC001482518843 1186444622 /nfs/dbraw/zinc/44/46/22/1186444622.db2.gz SGIXBZYCTAHHGB-CVEARBPZSA-N 2 0 344.459 2.152 10 0 EEAERP COCCCC[N@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001272054715 1187294126 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CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)COC3)C1)[NH+](C)C ZINC001409300035 1188621340 /nfs/dbraw/zinc/62/13/40/1188621340.db2.gz WUISKPMMTGEGPU-PPSBMQLTSA-N 2 0 345.487 2.041 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866035 1193583402 /nfs/dbraw/zinc/58/34/02/1193583402.db2.gz PSTXTCAHGBPOQK-AAEUAGOBSA-N 2 0 344.912 2.265 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001409383962 1189608856 /nfs/dbraw/zinc/60/88/56/1189608856.db2.gz GPVMCVMNVKYDBI-LSDHHAIUSA-N 2 0 333.476 2.020 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409437662 1189676349 /nfs/dbraw/zinc/67/63/49/1189676349.db2.gz ACFXRVSOFBDZNZ-JKSUJKDBSA-N 2 0 333.476 2.082 10 0 EEAERP COc1cc(Cl)ccc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485919170 1193639787 /nfs/dbraw/zinc/63/97/87/1193639787.db2.gz LJYSCBDPPBEHRY-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483235493 1189982339 /nfs/dbraw/zinc/98/23/39/1189982339.db2.gz SOROVDYPDKXJHL-BBRMVZONSA-N 2 0 336.505 2.144 10 0 EEAERP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC1CCOCC1)n1ccnc1 ZINC001483392524 1190436392 /nfs/dbraw/zinc/43/63/92/1190436392.db2.gz ZNAAEAYJPQUVKO-JKSUJKDBSA-N 2 0 336.480 2.087 10 0 EEAERP CCc1ccccc1CC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407999 1190454811 /nfs/dbraw/zinc/45/48/11/1190454811.db2.gz MZCGFDHGLDMKEJ-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448892 1190483591 /nfs/dbraw/zinc/48/35/91/1190483591.db2.gz YIVFJFPHKRSBQW-PKOBYXMFSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001483471049 1190493641 /nfs/dbraw/zinc/49/36/41/1190493641.db2.gz LKANTCVCUJGZBM-ZDUSSCGKSA-N 2 0 346.928 2.321 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001483489534 1190508689 /nfs/dbraw/zinc/50/86/89/1190508689.db2.gz CPDIVTOIYXVPFD-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483587250 1190573602 /nfs/dbraw/zinc/57/36/02/1190573602.db2.gz BOSANRBBBIOMCU-KBXCAEBGSA-N 2 0 333.451 2.152 10 0 EEAERP CCCC[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2n1)C1CC1 ZINC001483594959 1190578842 /nfs/dbraw/zinc/57/88/42/1190578842.db2.gz MGWZNNHZBMGJIX-QGZVFWFLSA-N 2 0 328.460 2.470 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)c(C)c1 ZINC001483605959 1190584372 /nfs/dbraw/zinc/58/43/72/1190584372.db2.gz VOIZLLXGVHQDKK-IBGZPJMESA-N 2 0 329.488 2.384 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)CC[NH+](C)C ZINC001486123819 1193688514 /nfs/dbraw/zinc/68/85/14/1193688514.db2.gz IBJMQWWMXHHNLK-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CCNCC(F)(F)C(F)F)C1)[NH+](C)C ZINC001272616119 1190931085 /nfs/dbraw/zinc/93/10/85/1190931085.db2.gz JWKAGFXEIBXKAS-NEPJUHHUSA-N 2 0 341.393 2.055 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272653240 1190964278 /nfs/dbraw/zinc/96/42/78/1190964278.db2.gz PGHSJFCZOXEXGA-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001484097156 1191209291 /nfs/dbraw/zinc/20/92/91/1191209291.db2.gz SIGROJYGKABJPR-MRXNPFEDSA-N 2 0 327.469 2.221 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484197656 1191269038 /nfs/dbraw/zinc/26/90/38/1191269038.db2.gz CBHGAMVLXJALSQ-HNNXBMFYSA-N 2 0 345.478 2.448 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001484197996 1191269801 /nfs/dbraw/zinc/26/98/01/1191269801.db2.gz OCFOGDCOADRZGX-OAHLLOKOSA-N 2 0 333.467 2.446 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484519823 1191394028 /nfs/dbraw/zinc/39/40/28/1191394028.db2.gz BHKWVCNPPYQULV-AZUAARDMSA-N 2 0 341.499 2.357 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]C2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC2)O1 ZINC001484638731 1191453905 /nfs/dbraw/zinc/45/39/05/1191453905.db2.gz HGQWIYJRFCISDS-IRXDYDNUSA-N 2 0 349.519 2.058 10 0 EEAERP COCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001484654740 1191458013 /nfs/dbraw/zinc/45/80/13/1191458013.db2.gz WHDYEYODUIDILN-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001484726835 1191486103 /nfs/dbraw/zinc/48/61/03/1191486103.db2.gz TVPPXYGTIJMELF-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001484924265 1191577069 /nfs/dbraw/zinc/57/70/69/1191577069.db2.gz LYQMFCFYQRVESC-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484936498 1191580524 /nfs/dbraw/zinc/58/05/24/1191580524.db2.gz FNIGUVUAXDRVKN-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C)on1 ZINC001484981446 1191600009 /nfs/dbraw/zinc/60/00/09/1191600009.db2.gz NYNTUAVTVUDPLK-CVEARBPZSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cnc(C)s1 ZINC001485078535 1191646507 /nfs/dbraw/zinc/64/65/07/1191646507.db2.gz TTWFRGMLYXYBPB-HNNXBMFYSA-N 2 0 338.521 2.216 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2CC(NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001485110554 1191657574 /nfs/dbraw/zinc/65/75/74/1191657574.db2.gz MYOAMRYQTBMECB-UHFFFAOYSA-N 2 0 348.491 2.152 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(Cl)nc1 ZINC001485313592 1191730314 /nfs/dbraw/zinc/73/03/14/1191730314.db2.gz OMNVMKNBRQCHTL-ZDUSSCGKSA-N 2 0 338.883 2.156 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001485485233 1191814693 /nfs/dbraw/zinc/81/46/93/1191814693.db2.gz OEBXCFJYHBUSJH-SFHVURJKSA-N 2 0 339.524 2.260 10 0 EEAERP Cc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001486160560 1193706403 /nfs/dbraw/zinc/70/64/03/1193706403.db2.gz OBRARNZWEYNSKL-MJGOQNOKSA-N 2 0 348.491 2.328 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001486177176 1193715581 /nfs/dbraw/zinc/71/55/81/1193715581.db2.gz PMVQNNBTRRJEPJ-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001486220726 1193758287 /nfs/dbraw/zinc/75/82/87/1193758287.db2.gz OPEMRIBKECHCOB-IAGOWNOFSA-N 2 0 348.491 2.234 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001486417220 1193947298 /nfs/dbraw/zinc/94/72/98/1193947298.db2.gz PRRWLAUCIYYPEB-KRWDZBQOSA-N 2 0 335.492 2.129 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001486481219 1193995387 /nfs/dbraw/zinc/99/53/87/1193995387.db2.gz FPJGROQDIQYWOU-OFLPRAFFSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CCC(F)(F)F)CC2)CC1 ZINC001486513573 1194033092 /nfs/dbraw/zinc/03/30/92/1194033092.db2.gz KJZBADGDYZFBPP-UHFFFAOYSA-N 2 0 333.398 2.029 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccccn2)CC1)[NH+](CC)CC ZINC001486515742 1194035428 /nfs/dbraw/zinc/03/54/28/1194035428.db2.gz OQGGZHZMRSSOFU-IBGZPJMESA-N 2 0 344.503 2.450 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cncc(C)c2)C1 ZINC001272979932 1194289018 /nfs/dbraw/zinc/28/90/18/1194289018.db2.gz XXOKUOLBHQPTIS-HKUYNNGSSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001273075766 1194369848 /nfs/dbraw/zinc/36/98/48/1194369848.db2.gz JROJATXODVECJZ-INIZCTEOSA-N 2 0 340.471 2.441 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001273131325 1194416659 /nfs/dbraw/zinc/41/66/59/1194416659.db2.gz QUTRZRPEYYFSTD-BXUZGUMPSA-N 2 0 346.928 2.367 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)CC1(C)C)[NH+](C)C ZINC001410028255 1197461624 /nfs/dbraw/zinc/46/16/24/1197461624.db2.gz VLYNCVNTNZTHLA-JKSUJKDBSA-N 2 0 337.533 2.457 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C ZINC000872145946 1198053720 /nfs/dbraw/zinc/05/37/20/1198053720.db2.gz ZVVJMTFYOVTBED-LNLFQRSKSA-N 2 0 346.471 2.500 10 0 EEAERP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1)C1CCCC1 ZINC000872158418 1198065357 /nfs/dbraw/zinc/06/53/57/1198065357.db2.gz UZRZABANYGOYDM-VQIMIIECSA-N 2 0 344.503 2.317 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CC2(CSC2)C1 ZINC000865088709 1198081019 /nfs/dbraw/zinc/08/10/19/1198081019.db2.gz JCCRFRQBHYUOBB-MRXNPFEDSA-N 2 0 339.549 2.004 10 0 EEAERP C[NH+]1CCC(CNC(=S)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000865251658 1198142422 /nfs/dbraw/zinc/14/24/22/1198142422.db2.gz WSNFZDJIGIPVQF-UHFFFAOYSA-N 2 0 338.565 2.011 10 0 EEAERP CC(=O)NCC1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000865417475 1198206109 /nfs/dbraw/zinc/20/61/09/1198206109.db2.gz MARYFUPSJTVEFJ-UHFFFAOYSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ccc2ncnc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2c1 ZINC000866012583 1198454169 /nfs/dbraw/zinc/45/41/69/1198454169.db2.gz JTBUFEVWMPTPGL-HZPDHXFCSA-N 2 0 327.476 2.114 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001410946240 1198612913 /nfs/dbraw/zinc/61/29/13/1198612913.db2.gz AXQOTPPTXSXENU-IRXDYDNUSA-N 2 0 348.491 2.234 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001410949254 1198616662 /nfs/dbraw/zinc/61/66/62/1198616662.db2.gz WXGAPPBRAVKNCS-DYVFJYSZSA-N 2 0 339.430 2.291 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]C/C=C/c3ccccc3)C(C)(C)C2)C1 ZINC001411016963 1198698240 /nfs/dbraw/zinc/69/82/40/1198698240.db2.gz NLTRWFOPHGITDT-RJHNKFTKSA-N 2 0 341.499 2.478 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C(C)(C)C1 ZINC001411105973 1198796316 /nfs/dbraw/zinc/79/63/16/1198796316.db2.gz LWLUZRIAPZHIOR-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC001411222285 1198932683 /nfs/dbraw/zinc/93/26/83/1198932683.db2.gz KGLHDQLQLDTTQB-QZTJIDSGSA-N 2 0 349.519 2.181 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2ccns2)CC1 ZINC001411233463 1198944349 /nfs/dbraw/zinc/94/43/49/1198944349.db2.gz FZTGKXWUDWJFFX-AWEZNQCLSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cccnc1C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001411241627 1198959763 /nfs/dbraw/zinc/95/97/63/1198959763.db2.gz YYDKEWNLAPKSLI-QGZVFWFLSA-N 2 0 346.519 2.447 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280627273 1199025289 /nfs/dbraw/zinc/02/52/89/1199025289.db2.gz DQEVIQUHACZMKL-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413057481 1224536618 /nfs/dbraw/zinc/53/66/18/1224536618.db2.gz YAGIIFKQCDJRAU-NJYVYQBISA-N 2 0 345.531 2.141 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC3(CC3)CC2)C[C@H]1C[NH+](C)C ZINC000875535139 1199287242 /nfs/dbraw/zinc/28/72/42/1199287242.db2.gz TXYMWAYEWUIHIL-HZPDHXFCSA-N 2 0 336.524 2.090 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870879445 1200927341 /nfs/dbraw/zinc/92/73/41/1200927341.db2.gz GUYGEZQRXUNEGA-FZMZJTMJSA-N 2 0 342.281 2.295 10 0 EEAERP CC[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000870927339 1200961584 /nfs/dbraw/zinc/96/15/84/1200961584.db2.gz QHOIDIWHPRXNPR-LXZJYRNTSA-N 2 0 327.472 2.237 10 0 EEAERP CN1Cc2ccccc2[C@H]1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000870979542 1200987493 /nfs/dbraw/zinc/98/74/93/1200987493.db2.gz OGCVAZGSYIVBAA-HXUWFJFHSA-N 2 0 335.451 2.291 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866241875 1201474134 /nfs/dbraw/zinc/47/41/34/1201474134.db2.gz GUPVCGNTAKFWCL-OALUTQOASA-N 2 0 344.503 2.271 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000866665358 1201574377 /nfs/dbraw/zinc/57/43/77/1201574377.db2.gz UZZLXRSPODIBIE-MUPIXQSSSA-N 2 0 344.455 2.327 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)sn1 ZINC001495427953 1201676272 /nfs/dbraw/zinc/67/62/72/1201676272.db2.gz LGKOUOBXUUVKAF-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1c2ccccc2CN1C ZINC000868234294 1201772473 /nfs/dbraw/zinc/77/24/73/1201772473.db2.gz MHFVRAHNANDWQR-WMZOPIPTSA-N 2 0 330.476 2.347 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001274035805 1204339470 /nfs/dbraw/zinc/33/94/70/1204339470.db2.gz LSQFXDCMIJIUCY-FSPKCKTGSA-N 2 0 343.462 2.414 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001275312721 1205306334 /nfs/dbraw/zinc/30/63/34/1205306334.db2.gz HFUHMOSVWRRVQQ-UHOSZYNNSA-N 2 0 329.488 2.392 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001276010862 1205634558 /nfs/dbraw/zinc/63/45/58/1205634558.db2.gz AURCQISGYSUONF-ZWKOTPCHSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CC[C@@H](F)C3)C2)cc1 ZINC001412481309 1205736325 /nfs/dbraw/zinc/73/63/25/1205736325.db2.gz UXGUAGCNTZQHDZ-QZTJIDSGSA-N 2 0 333.451 2.119 10 0 EEAERP O[C@H](CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCc2ccccc2C1 ZINC000924642608 1206009326 /nfs/dbraw/zinc/00/93/26/1206009326.db2.gz LCMSJWHMKIQMSZ-HKBOAZHASA-N 2 0 343.515 2.012 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000924704344 1206021104 /nfs/dbraw/zinc/02/11/04/1206021104.db2.gz NAGUWQSYVWUBEW-GOSISDBHSA-N 2 0 334.460 2.055 10 0 EEAERP CC1([NH+]2CCCC2)CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000925038075 1206064099 /nfs/dbraw/zinc/06/40/99/1206064099.db2.gz CIWYXBSHNWYYGV-UHFFFAOYSA-N 2 0 345.491 2.012 10 0 EEAERP c1ccc(N2CC[NH+](CCCN[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925538185 1206124979 /nfs/dbraw/zinc/12/49/79/1206124979.db2.gz PHFYGEMYNMHZMA-IBGZPJMESA-N 2 0 328.504 2.073 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000925567814 1206129684 /nfs/dbraw/zinc/12/96/84/1206129684.db2.gz LMCPAQHJFLUTKR-BPLDGKMQSA-N 2 0 344.377 2.305 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925665866 1206141357 /nfs/dbraw/zinc/14/13/57/1206141357.db2.gz NAVDBUPTFSKDMS-IKGGRYGDSA-N 2 0 345.487 2.162 10 0 EEAERP CC1(C)[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708484 1206145206 /nfs/dbraw/zinc/14/52/06/1206145206.db2.gz SQSAANHUVQSMIG-YZGWKJHDSA-N 2 0 343.515 2.492 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000925768606 1206152161 /nfs/dbraw/zinc/15/21/61/1206152161.db2.gz KJDILDLXQGOYMU-JYJNAYRXSA-N 2 0 326.481 2.103 10 0 EEAERP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925782826 1206153431 /nfs/dbraw/zinc/15/34/31/1206153431.db2.gz HWBPQKAPBFPHBG-RVKKMQEKSA-N 2 0 343.471 2.429 10 0 EEAERP CCO[C@H](CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925838618 1206158747 /nfs/dbraw/zinc/15/87/47/1206158747.db2.gz MQINPVJZNUJFNV-CEXWTWQISA-N 2 0 335.492 2.045 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCSc3ccccc32)CC12CC[NH2+]CC2 ZINC000925850453 1206160386 /nfs/dbraw/zinc/16/03/86/1206160386.db2.gz ASCAHJLFSFXTRA-HIFRSBDPSA-N 2 0 332.469 2.498 10 0 EEAERP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853048 1206160930 /nfs/dbraw/zinc/16/09/30/1206160930.db2.gz XRENPNCUZHDKSY-WFASDCNBSA-N 2 0 348.418 2.097 10 0 EEAERP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855410 1206161274 /nfs/dbraw/zinc/16/12/74/1206161274.db2.gz PGASKOSUEGJGNP-PBHICJAKSA-N 2 0 332.444 2.421 10 0 EEAERP C[C@@H]1[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000928442597 1206384927 /nfs/dbraw/zinc/38/49/27/1206384927.db2.gz WNNZTRSEDMOGSO-SJLPKXTDSA-N 2 0 329.488 2.498 10 0 EEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC2(COC2)O1 ZINC000929753484 1206498484 /nfs/dbraw/zinc/49/84/84/1206498484.db2.gz BCUIJSROKXDLGN-OALUTQOASA-N 2 0 330.472 2.388 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930170385 1206539018 /nfs/dbraw/zinc/53/90/18/1206539018.db2.gz ZZXYWNKTQFGTHZ-YSIASYRMSA-N 2 0 345.487 2.424 10 0 EEAERP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931074436 1206605018 /nfs/dbraw/zinc/60/50/18/1206605018.db2.gz FJBMHUHCZZMXDU-IXDOHACOSA-N 2 0 326.481 2.008 10 0 EEAERP C[NH+](C)CCOc1ccc(CCC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000931431292 1207378204 /nfs/dbraw/zinc/37/82/04/1207378204.db2.gz KHJRITIHRMEXHX-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP CCC1([NH2+]CCCOC(C)C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327438873 1208512233 /nfs/dbraw/zinc/51/22/33/1208512233.db2.gz ZDBILVSSZDXYQW-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717927320 1211594013 /nfs/dbraw/zinc/59/40/13/1211594013.db2.gz QPCVUXSDYDIUGV-JENIJYKNSA-N 2 0 332.488 2.417 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC001412940013 1216136912 /nfs/dbraw/zinc/13/69/12/1216136912.db2.gz KLBSHCMESGOZIP-ZWKOTPCHSA-N 2 0 329.488 2.450 10 0 EEAERP C[C@@H](CN1CCOCC1)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001412945554 1216147053 /nfs/dbraw/zinc/14/70/53/1216147053.db2.gz BFFXNIFKJLDIII-CTNGQTDRSA-N 2 0 345.531 2.409 10 0 EEAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720788346 1217714574 /nfs/dbraw/zinc/71/45/74/1217714574.db2.gz JXMYKHLJAYXHKH-HGKSCXNLSA-N 2 0 329.488 2.340 10 0 EEAERP c1cc2c(cc1-c1nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no1)OCC[NH2+]C2 ZINC000900015510 1233975988 /nfs/dbraw/zinc/97/59/88/1233975988.db2.gz CWAIHBRYTHQXNB-GOOCMWNKSA-N 2 0 326.400 2.217 10 0 EEAERP C[NH+](C)[C@]1(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCSC1 ZINC000900947131 1235032338 /nfs/dbraw/zinc/03/23/38/1235032338.db2.gz WZLMJSPKNCAMRJ-SFHVURJKSA-N 2 0 346.500 2.458 10 0 EEAERP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000901280678 1235471799 /nfs/dbraw/zinc/47/17/99/1235471799.db2.gz SGVYWPZTAUZVQP-GOSISDBHSA-N 2 0 343.471 2.044 10 0 EEAERP C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000903217807 1240032334 /nfs/dbraw/zinc/03/23/34/1240032334.db2.gz DRBUPWYKOBQVHJ-CVEARBPZSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@H]1CC[NH3+] ZINC000903496738 1240675119 /nfs/dbraw/zinc/67/51/19/1240675119.db2.gz BAXOZVYYUMUDKV-HZPDHXFCSA-N 2 0 330.476 2.142 10 0 EEAERP c1cc(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc2c1OCC2 ZINC000903508884 1240731731 /nfs/dbraw/zinc/73/17/31/1240731731.db2.gz YLZZJKOMVCKKBB-BGYRXZFFSA-N 2 0 341.499 2.065 10 0 EEAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000903733902 1241769149 /nfs/dbraw/zinc/76/91/49/1241769149.db2.gz SFDGRVFZGRYWRY-WOJBJXKFSA-N 3 0 335.536 2.343 10 0 EEAERP C[C@@H]1C[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@H]1CC[NH3+] ZINC000903977506 1242824060 /nfs/dbraw/zinc/82/40/60/1242824060.db2.gz RANMMAGRZZFLHZ-VXGBXAGGSA-N 2 0 337.830 2.477 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001491064242 1258632767 /nfs/dbraw/zinc/63/27/67/1258632767.db2.gz VXJUKTNHRUHQGX-MHORFTMASA-N 2 0 337.508 2.057 10 0 EEAERP Cc1cccnc1C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001491238193 1258831951 /nfs/dbraw/zinc/83/19/51/1258831951.db2.gz ZZRHQWYESANGDU-KRWDZBQOSA-N 2 0 332.492 2.201 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491270464 1258862797 /nfs/dbraw/zinc/86/27/97/1258862797.db2.gz CCUQNFXHHXIHLN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000850354193 1277193106 /nfs/dbraw/zinc/19/31/06/1277193106.db2.gz XPLSEACOSXGAII-AWEZNQCLSA-N 2 0 337.899 2.349 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCOC1CCC1 ZINC001489311620 1290540664 /nfs/dbraw/zinc/54/06/64/1290540664.db2.gz GFEKYMQDIJKNIS-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001490563589 1291461065 /nfs/dbraw/zinc/46/10/65/1291461065.db2.gz SBPOEYSJGQBXQN-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001490741601 1291655077 /nfs/dbraw/zinc/65/50/77/1291655077.db2.gz JOCDTKREMSWKBC-ROUUACIJSA-N 2 0 348.491 2.088 10 0 EEAERP CSc1nnc(CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1CC(C)C ZINC000925487697 1292204455 /nfs/dbraw/zinc/20/44/55/1292204455.db2.gz NXOYEFOTKDYFIM-KGLIPLIRSA-N 2 0 337.537 2.448 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCC2SCCS2)CC[NH2+]CC1 ZINC000854230485 1292679777 /nfs/dbraw/zinc/67/97/77/1292679777.db2.gz RMGWPSQMQABPBC-GFCCVEGCSA-N 2 0 332.535 2.094 10 0 EEAERP Cn1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)n1 ZINC000856794769 1293634839 /nfs/dbraw/zinc/63/48/39/1293634839.db2.gz UQGVCRLHGDNRMM-UHFFFAOYSA-N 2 0 326.872 2.054 10 0 EEAERP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861652678 1295490525 /nfs/dbraw/zinc/49/05/25/1295490525.db2.gz JYEZTQBJKHKGFO-SJLPKXTDSA-N 2 0 344.503 2.277 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001491126491 1299615779 /nfs/dbraw/zinc/61/57/79/1299615779.db2.gz ZIOZFBXHLAUSKO-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)C1CCC1 ZINC001276996417 1300736073 /nfs/dbraw/zinc/73/60/73/1300736073.db2.gz VZCTXJUKOPHQLP-SHTZXODSSA-N 2 0 335.517 2.259 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC001277335555 1302479706 /nfs/dbraw/zinc/47/97/06/1302479706.db2.gz QYWFWNBNVVEAPT-CZUORRHYSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355849 1302613735 /nfs/dbraw/zinc/61/37/35/1302613735.db2.gz NFWAJHCMVLDCAY-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCCC1CCOCC1 ZINC001277771030 1304379330 /nfs/dbraw/zinc/37/93/30/1304379330.db2.gz KXAQPTYAXROKLO-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCCCF ZINC001277940276 1305207562 /nfs/dbraw/zinc/20/75/62/1305207562.db2.gz GXFNMTXHXVZFEA-ARFHVFGLSA-N 2 0 336.455 2.244 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC[C@@H]1CCCCO1)C(C)(C)C ZINC001278995932 1318953583 /nfs/dbraw/zinc/95/35/83/1318953583.db2.gz PCIXJKPTBZALKU-HOTGVXAUSA-N 2 0 327.513 2.018 10 0 EEAERP OC1(C[NH2+]Cc2cc(F)ncc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000840969286 1315448066 /nfs/dbraw/zinc/44/80/66/1315448066.db2.gz DOAZGNMDKVSUDX-UHFFFAOYSA-N 2 0 347.409 2.477 10 0 EEAERP FC1(F)CC[NH2+]C[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000841074520 1315468503 /nfs/dbraw/zinc/46/85/03/1315468503.db2.gz DHDBJXLXJFZWDH-KRWDZBQOSA-N 2 0 339.430 2.248 10 0 EEAERP COCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001278972922 1318888305 /nfs/dbraw/zinc/88/83/05/1318888305.db2.gz LFKLMZMZLUKHMP-HOTGVXAUSA-N 2 0 327.513 2.018 10 0 EEAERP COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001264008088 1322582585 /nfs/dbraw/zinc/58/25/85/1322582585.db2.gz AOHYTARICGSLLF-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CCC[NH2+]CCCF ZINC001264022502 1322587106 /nfs/dbraw/zinc/58/71/06/1322587106.db2.gz IJBDIJRGJNDEPD-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001264125168 1322634886 /nfs/dbraw/zinc/63/48/86/1322634886.db2.gz DAKZAWLPCLJBLO-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCOC)C1 ZINC001264685592 1322783764 /nfs/dbraw/zinc/78/37/64/1322783764.db2.gz LYBWBABCHMLPEK-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1oc(C)nc1C ZINC001265119630 1322929071 /nfs/dbraw/zinc/92/90/71/1322929071.db2.gz LDKFZYZXMQFGJE-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](Cc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001265162657 1322959246 /nfs/dbraw/zinc/95/92/46/1322959246.db2.gz IKYBYQVAJNKFBL-RBUKOAKNSA-N 2 0 344.503 2.283 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)[NH+](C)C ZINC001265482907 1323177558 /nfs/dbraw/zinc/17/75/58/1323177558.db2.gz BWGGTONCSBYPKI-FHWLQOOXSA-N 2 0 331.504 2.442 10 0 EEAERP CC(C)CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266186565 1323752485 /nfs/dbraw/zinc/75/24/85/1323752485.db2.gz FVYDLFCOBVYJGR-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001276641494 1324940326 /nfs/dbraw/zinc/94/03/26/1324940326.db2.gz LUQROJSEFVUQIU-OALUTQOASA-N 2 0 329.488 2.198 10 0 EEAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001281529894 1325232241 /nfs/dbraw/zinc/23/22/41/1325232241.db2.gz DCMZGWXZLIDYDN-LXXRFIIISA-N 2 0 337.508 2.034 10 0 EEAERP CC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282995847 1325873260 /nfs/dbraw/zinc/87/32/60/1325873260.db2.gz FOXMIZWTHJTULL-GNMWANSBSA-N 2 0 333.520 2.465 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H](C)F)C1)[NH+]1CCCC1 ZINC001283111679 1325922616 /nfs/dbraw/zinc/92/26/16/1325922616.db2.gz UHBQHTWUDXGRCO-QBPKDAKJSA-N 2 0 327.488 2.339 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1c[nH]cn1 ZINC001283249201 1325970778 /nfs/dbraw/zinc/97/07/78/1325970778.db2.gz MNMKLUCTPZRELR-LBPRGKRZSA-N 2 0 335.839 2.075 10 0 EEAERP Cc1oncc1C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284349658 1326514096 /nfs/dbraw/zinc/51/40/96/1326514096.db2.gz ZMQYVJBRPPCSNP-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491933984 1330325220 /nfs/dbraw/zinc/32/52/20/1330325220.db2.gz GVOAVKOXYWSBCV-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1cnccn1)[NH+]1CCCCCC1 ZINC001316853507 1331469570 /nfs/dbraw/zinc/46/95/70/1331469570.db2.gz GLGPKSJASWXVOQ-DLBZAZTESA-N 2 0 347.507 2.240 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001316737916 1331866735 /nfs/dbraw/zinc/86/67/35/1331866735.db2.gz FIARCTLTSSYRSF-RBUKOAKNSA-N 2 0 347.503 2.367 10 0 EEAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317115962 1332085543 /nfs/dbraw/zinc/08/55/43/1332085543.db2.gz FOHBZUQXAANEIS-SOLBZPMBSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001317145702 1332098485 /nfs/dbraw/zinc/09/84/85/1332098485.db2.gz CTSWXXBIBZPJOX-VQTJNVASSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001317405290 1332216411 /nfs/dbraw/zinc/21/64/11/1332216411.db2.gz GUGMFFATYMFQMQ-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2ccon2)CC[N@@H+]1C ZINC001317420947 1332224872 /nfs/dbraw/zinc/22/48/72/1332224872.db2.gz AJXNVUWJFIKMJU-OKZBNKHCSA-N 2 0 348.491 2.266 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(F)(F)F ZINC001317429976 1332233544 /nfs/dbraw/zinc/23/35/44/1332233544.db2.gz ZLGQZBRJSBSZSJ-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317429813 1332233799 /nfs/dbraw/zinc/23/37/99/1332233799.db2.gz MECUZICMRHPIGQ-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317677100 1332365755 /nfs/dbraw/zinc/36/57/55/1332365755.db2.gz PDSKLNZHCSAEKI-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001318446870 1332539351 /nfs/dbraw/zinc/53/93/51/1332539351.db2.gz ZKJUMWYVVAVONL-SFHVURJKSA-N 2 0 345.487 2.084 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001318818663 1332604035 /nfs/dbraw/zinc/60/40/35/1332604035.db2.gz AULSFXGBYRQPSQ-GDBMZVCRSA-N 2 0 343.462 2.344 10 0 EEAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001318977007 1332631543 /nfs/dbraw/zinc/63/15/43/1332631543.db2.gz XGBZJHAOLXZVBL-IYARVYRRSA-N 2 0 333.476 2.025 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319775169 1332764837 /nfs/dbraw/zinc/76/48/37/1332764837.db2.gz QYPPEBLSVJDAMI-DOTOQJQBSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001320421966 1332879458 /nfs/dbraw/zinc/87/94/58/1332879458.db2.gz MWAJMVAFWZJLDP-RRQGHBQHSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320463286 1332889762 /nfs/dbraw/zinc/88/97/62/1332889762.db2.gz GOMNJDXJCNWWGW-CRAIPNDOSA-N 2 0 349.523 2.241 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001320553148 1332908661 /nfs/dbraw/zinc/90/86/61/1332908661.db2.gz QDCQDAMTTKWZOS-WBMJQRKESA-N 2 0 327.419 2.289 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)nc1 ZINC001320564265 1332911747 /nfs/dbraw/zinc/91/17/47/1332911747.db2.gz QZSDJERVQDSBRM-IRXDYDNUSA-N 2 0 347.507 2.032 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001321066077 1333010164 /nfs/dbraw/zinc/01/01/64/1333010164.db2.gz ZAWPRHADLRHWGO-RCAFFNEUSA-N 2 0 333.501 2.160 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCC1CCOCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321289985 1333064834 /nfs/dbraw/zinc/06/48/34/1333064834.db2.gz YDTSHFBCGOWBLG-MOYGJOQTSA-N 2 0 349.519 2.082 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321562778 1333124754 /nfs/dbraw/zinc/12/47/54/1333124754.db2.gz GMBHPSLTPGEYAD-AEFFLSMTSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321652960 1333138698 /nfs/dbraw/zinc/13/86/98/1333138698.db2.gz SHTBAOKEZWGHBZ-CRAIPNDOSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+](C)C2CCC2)c(C)n1 ZINC001322543968 1333279945 /nfs/dbraw/zinc/27/99/45/1333279945.db2.gz QIOCPKPHCVPODX-UHFFFAOYSA-N 2 0 332.492 2.121 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001322565965 1333284049 /nfs/dbraw/zinc/28/40/49/1333284049.db2.gz JYBHLBXYFIBELK-JKSUJKDBSA-N 2 0 343.462 2.487 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001322647858 1333300831 /nfs/dbraw/zinc/30/08/31/1333300831.db2.gz HUVQOOQVVLXEGH-CRAIPNDOSA-N 2 0 333.476 2.289 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001322852477 1333342097 /nfs/dbraw/zinc/34/20/97/1333342097.db2.gz PFKFABVALNHSTQ-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001325561273 1333912090 /nfs/dbraw/zinc/91/20/90/1333912090.db2.gz JLSHRLBYBPEMQI-HKUYNNGSSA-N 2 0 331.504 2.255 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001326289001 1334060373 /nfs/dbraw/zinc/06/03/73/1334060373.db2.gz PZCKRLUYWSBSRS-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001327047301 1334210516 /nfs/dbraw/zinc/21/05/16/1334210516.db2.gz DEMRIDVQUQUOGI-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001328912705 1334546618 /nfs/dbraw/zinc/54/66/18/1334546618.db2.gz UFSRMBMTUCRGGV-UHFFFAOYSA-N 2 0 334.291 2.132 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001329232066 1334612436 /nfs/dbraw/zinc/61/24/36/1334612436.db2.gz ZQMGZUWCQLRCCJ-ADKAHSJRSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH+](CCCCOC)CC1(C)C ZINC001330261061 1334814109 /nfs/dbraw/zinc/81/41/09/1334814109.db2.gz FJJCNFGKSZSHMF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001330834956 1334911788 /nfs/dbraw/zinc/91/17/88/1334911788.db2.gz GVFJCYFGEXLRJQ-ZDUSSCGKSA-N 2 0 331.451 2.391 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2F)CC1 ZINC001332115751 1335733721 /nfs/dbraw/zinc/73/37/21/1335733721.db2.gz FHMGPFNFVBPWRH-RDJZCZTQSA-N 2 0 348.466 2.424 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCCCF)C2)CC1 ZINC001332301601 1335796137 /nfs/dbraw/zinc/79/61/37/1335796137.db2.gz NINXPKUMBGCTHQ-NVXWUHKLSA-N 2 0 327.488 2.343 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001332387923 1335815994 /nfs/dbraw/zinc/81/59/94/1335815994.db2.gz NEKXCBLVLDNIGS-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001332960937 1335938342 /nfs/dbraw/zinc/93/83/42/1335938342.db2.gz PEPMGUFWPFTDKI-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001333102764 1335963196 /nfs/dbraw/zinc/96/31/96/1335963196.db2.gz MBJNEMBHGRPAFO-JXQTWKCFSA-N 2 0 335.414 2.392 10 0 EEAERP C[C@H]1C[C@H](C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC001333352261 1336017521 /nfs/dbraw/zinc/01/75/21/1336017521.db2.gz YYDKGLVWSWXNTJ-FUHWJXTLSA-N 2 0 349.519 2.034 10 0 EEAERP CCC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001333446783 1336048930 /nfs/dbraw/zinc/04/89/30/1336048930.db2.gz AHOXAQVZHVGQJD-LIXSYLKWSA-N 2 0 349.519 2.202 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)cc2)CC1 ZINC001339053791 1336951029 /nfs/dbraw/zinc/95/10/29/1336951029.db2.gz NHHNGGNBRYYTBS-RBUKOAKNSA-N 2 0 342.487 2.394 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001413869210 1338572396 /nfs/dbraw/zinc/57/23/96/1338572396.db2.gz MDJADOKSFPCZQD-KANFNMMFSA-N 2 0 345.487 2.191 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214723 1355900819 /nfs/dbraw/zinc/90/08/19/1355900819.db2.gz NXIXMJRLYRFVBV-HOTGVXAUSA-N 2 0 349.523 2.099 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001434243576 1341804066 /nfs/dbraw/zinc/80/40/66/1341804066.db2.gz LMZMOWGDLVYGRP-IHPCNDPISA-N 2 0 329.488 2.480 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)C1CCCCC1 ZINC001434427696 1341842139 /nfs/dbraw/zinc/84/21/39/1341842139.db2.gz DPZZTOPRGJKIOL-INIZCTEOSA-N 2 0 330.476 2.289 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001668652367 1355980400 /nfs/dbraw/zinc/98/04/00/1355980400.db2.gz NJQOLLXRDJLNRA-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001436363445 1342053784 /nfs/dbraw/zinc/05/37/84/1342053784.db2.gz GPKZJGYOSQIKCQ-INMHGKMJSA-N 2 0 335.517 2.383 10 0 EEAERP CC[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CC(F)(F)C1 ZINC001438356001 1342075527 /nfs/dbraw/zinc/07/55/27/1342075527.db2.gz DLODCYXTOQHQGS-ZBFHGGJFSA-N 2 0 329.435 2.002 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCOc1ccccc1 ZINC001567366594 1342746464 /nfs/dbraw/zinc/74/64/64/1342746464.db2.gz LCVXVMDVRRWJBW-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP CCc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001676007206 1357087116 /nfs/dbraw/zinc/08/71/16/1357087116.db2.gz WONYLORXQKFBFI-CQSZACIVSA-N 2 0 348.491 2.016 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(F)c1F ZINC001567504815 1342774131 /nfs/dbraw/zinc/77/41/31/1342774131.db2.gz XSIQYJHPRJMZEC-INIZCTEOSA-N 2 0 339.430 2.387 10 0 EEAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001569836979 1342955771 /nfs/dbraw/zinc/95/57/71/1342955771.db2.gz JDAJLKSEMFJBCM-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCc1ccccc1F ZINC001569847101 1342957498 /nfs/dbraw/zinc/95/74/98/1342957498.db2.gz MIUIIBGCHVBCGR-AEFFLSMTSA-N 2 0 349.494 2.394 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001569985230 1342989256 /nfs/dbraw/zinc/98/92/56/1342989256.db2.gz NUYYRCWDWITPET-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001569998029 1342994060 /nfs/dbraw/zinc/99/40/60/1342994060.db2.gz GLEUYTSUXWKZPX-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001570976454 1343145093 /nfs/dbraw/zinc/14/50/93/1343145093.db2.gz CBOZVLAGDGZKSJ-SEDCNLEPSA-N 2 0 337.508 2.033 10 0 EEAERP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)[NH+]1CCCC1 ZINC001571569056 1343240244 /nfs/dbraw/zinc/24/02/44/1343240244.db2.gz WXARHJWTAVPKRY-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP CCCC[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001571635932 1343256557 /nfs/dbraw/zinc/25/65/57/1343256557.db2.gz ONTMMFWRGLZYSW-MRXNPFEDSA-N 2 0 327.513 2.018 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001571693550 1343276230 /nfs/dbraw/zinc/27/62/30/1343276230.db2.gz CMZKYMVNKZVOMF-AWEZNQCLSA-N 2 0 348.318 2.270 10 0 EEAERP COCCCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676423338 1357148703 /nfs/dbraw/zinc/14/87/03/1357148703.db2.gz DIDQQBPWFKNEGV-QAPCUYQASA-N 2 0 345.503 2.062 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001676675042 1357178703 /nfs/dbraw/zinc/17/87/03/1357178703.db2.gz PUYXCMLOCSSNIO-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676768010 1357196628 /nfs/dbraw/zinc/19/66/28/1357196628.db2.gz RRTIEOJACHDUFR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC001677617066 1357374422 /nfs/dbraw/zinc/37/44/22/1357374422.db2.gz YAJPOCCKUBOKHY-MJGOQNOKSA-N 2 0 349.519 2.034 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCc2cccc(F)c2)C1 ZINC001649441161 1353506801 /nfs/dbraw/zinc/50/68/01/1353506801.db2.gz UINYWGVMWVPBPB-MRXNPFEDSA-N 2 0 335.467 2.148 10 0 EEAERP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001649456150 1353515259 /nfs/dbraw/zinc/51/52/59/1353515259.db2.gz HAQVFNFAKBKTGG-JTGQJZMRSA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC001649836216 1353620152 /nfs/dbraw/zinc/62/01/52/1353620152.db2.gz NIYYPMRDEDUXRL-CYBMUJFWSA-N 2 0 334.439 2.325 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001656098442 1354200766 /nfs/dbraw/zinc/20/07/66/1354200766.db2.gz UXKRDCINXIEUIQ-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCF)CC[C@@H]2C1 ZINC001656837016 1354283114 /nfs/dbraw/zinc/28/31/14/1354283114.db2.gz ULHNXKIVRPHBGP-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP C[C@H](CC(=O)NCCC[N@H+](C)Cc1ccc(F)cn1)n1ccnc1 ZINC001660316597 1354437793 /nfs/dbraw/zinc/43/77/93/1354437793.db2.gz CQALKSBBGGNFDS-CQSZACIVSA-N 2 0 333.411 2.007 10 0 EEAERP Cc1cccc(C[N@H+](C)CCCNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001660352858 1354446627 /nfs/dbraw/zinc/44/66/27/1354446627.db2.gz XNRHBNRXKUSLJO-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001660369195 1354451285 /nfs/dbraw/zinc/45/12/85/1354451285.db2.gz RKCFRJCUZOYDJZ-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1nc2ccccc2o1 ZINC001660502467 1354476016 /nfs/dbraw/zinc/47/60/16/1354476016.db2.gz RLXGPLCJXNSYFR-INIZCTEOSA-N 2 0 344.459 2.250 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661234963 1354614151 /nfs/dbraw/zinc/61/41/51/1354614151.db2.gz BICMFNLGMILNMS-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(Cc1cnc[nH]1)N1CCCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001661950812 1354727870 /nfs/dbraw/zinc/72/78/70/1354727870.db2.gz ZNKVESQWSKYQIO-SFHVURJKSA-N 2 0 348.491 2.130 10 0 EEAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001662660978 1354821894 /nfs/dbraw/zinc/82/18/94/1354821894.db2.gz UTVIDQHMGYLYHY-HNNXBMFYSA-N 2 0 327.432 2.119 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001662700277 1354828176 /nfs/dbraw/zinc/82/81/76/1354828176.db2.gz BTBGISGMQMOTBO-CQSZACIVSA-N 2 0 348.318 2.475 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662796687 1354848367 /nfs/dbraw/zinc/84/83/67/1354848367.db2.gz DMYWOPSVWISMIY-QZTJIDSGSA-N 2 0 333.476 2.025 10 0 EEAERP CC(C)CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001662828911 1354857311 /nfs/dbraw/zinc/85/73/11/1354857311.db2.gz SYTJNSRNLCYYJV-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)=CC[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001663739935 1355025870 /nfs/dbraw/zinc/02/58/70/1355025870.db2.gz QLGCAZJUOVOOGS-UHFFFAOYSA-N 2 0 339.443 2.428 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCOCC)C2)C1 ZINC001665068969 1355270782 /nfs/dbraw/zinc/27/07/82/1355270782.db2.gz IVHAJPCOJNRRTL-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F)C1 ZINC001666604865 1355551825 /nfs/dbraw/zinc/55/18/25/1355551825.db2.gz BNPUAZLJMNMAAF-KGLIPLIRSA-N 2 0 337.430 2.403 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001667307425 1355705716 /nfs/dbraw/zinc/70/57/16/1355705716.db2.gz XPPOUPYBUDJEFN-HOTGVXAUSA-N 2 0 343.462 2.344 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001667759254 1355808811 /nfs/dbraw/zinc/80/88/11/1355808811.db2.gz WLKJLCIUUAQOFW-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001668107827 1355873544 /nfs/dbraw/zinc/87/35/44/1355873544.db2.gz WVYKBRVDCXPNSA-ZYHUDNBSSA-N 2 0 332.901 2.121 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001669074968 1356085460 /nfs/dbraw/zinc/08/54/60/1356085460.db2.gz HPJAYUQBBQIDER-OOFWQKGWSA-N 2 0 344.503 2.417 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1C ZINC001670144778 1356285079 /nfs/dbraw/zinc/28/50/79/1356285079.db2.gz SDHUPAIYOMNUGF-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001670158471 1356287600 /nfs/dbraw/zinc/28/76/00/1356287600.db2.gz UXPGLMVFLWEUOS-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@]1(C[NH2+]CCc2cccs2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001671810094 1356419465 /nfs/dbraw/zinc/41/94/65/1356419465.db2.gz NPYDHOVJGDXOKR-GOSISDBHSA-N 2 0 335.517 2.215 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)CC1 ZINC001672956209 1356622325 /nfs/dbraw/zinc/62/23/25/1356622325.db2.gz BZVJXFGLJAJHEL-MGPQQGTHSA-N 2 0 335.414 2.298 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674686278 1356876115 /nfs/dbraw/zinc/87/61/15/1356876115.db2.gz DLBWGQPPGXEXBA-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674872524 1356905289 /nfs/dbraw/zinc/90/52/89/1356905289.db2.gz NBIHPIBQAUKWIJ-GFCCVEGCSA-N 2 0 336.307 2.331 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001675153885 1356939931 /nfs/dbraw/zinc/93/99/31/1356939931.db2.gz WWZDMZQODRUTEW-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]C/C=C/Cl ZINC001698947584 1405177986 /nfs/dbraw/zinc/17/79/86/1405177986.db2.gz BEWCYHPKXGBOBJ-BKILABGBSA-N 2 0 327.900 2.297 10 0 EEAERP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699575310 1405401217 /nfs/dbraw/zinc/40/12/17/1405401217.db2.gz CVAPVFAGVUMSHA-NVXWUHKLSA-N 2 0 325.472 2.095 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000925839961 779325509 /nfs/dbraw/zinc/32/55/09/779325509.db2.gz TYYOMOVNYCPTNE-YRGRVCCFSA-N 2 0 339.281 2.112 10 0 EEAERP CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)c1cc(C[NH3+])ccn1 ZINC000906228921 783783880 /nfs/dbraw/zinc/78/38/80/783783880.db2.gz KHXNUIOPASYUKI-UHFFFAOYSA-N 2 0 338.455 2.359 10 0 EEAERP C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000705977469 784912749 /nfs/dbraw/zinc/91/27/49/784912749.db2.gz ZGYWDKOSECGXMT-HNNXBMFYSA-N 2 0 343.512 2.190 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000817924384 785076346 /nfs/dbraw/zinc/07/63/46/785076346.db2.gz WCWBCSSRIMVFPT-IRXDYDNUSA-N 2 0 333.476 2.061 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000819174798 785447522 /nfs/dbraw/zinc/44/75/22/785447522.db2.gz RMFFOGBDGCAEAP-GUDVDZBRSA-N 2 0 336.451 2.135 10 0 EEAERP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000819273290 785503536 /nfs/dbraw/zinc/50/35/36/785503536.db2.gz CRZOETPMZRPIFO-QFBILLFUSA-N 2 0 329.419 2.366 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@H](c2ccccc2)C1 ZINC000911548378 787522087 /nfs/dbraw/zinc/52/20/87/787522087.db2.gz GJFVVOILIZJLDM-FYQPLNBISA-N 2 0 341.499 2.465 10 0 EEAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@]2(C)C1 ZINC000913276296 788752538 /nfs/dbraw/zinc/75/25/38/788752538.db2.gz HOCOZWJPPKXUME-SESVDKBCSA-N 2 0 341.499 2.309 10 0 EEAERP C[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000913397721 788838661 /nfs/dbraw/zinc/83/86/61/788838661.db2.gz PHWVPZRXULDLPO-MRXNPFEDSA-N 2 0 329.488 2.376 10 0 EEAERP O=S(=O)(CCN1CCC12CCCC2)CCN1CCC12CCCC2 ZINC000844360178 789041429 /nfs/dbraw/zinc/04/14/29/789041429.db2.gz OKDZPUZTZBMOSP-UHFFFAOYSA-N 2 0 340.533 2.438 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921530184 789046606 /nfs/dbraw/zinc/04/66/06/789046606.db2.gz RAXBNTJOGJYVHA-INIZCTEOSA-N 2 0 333.524 2.193 10 0 EEAERP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000923375594 789457611 /nfs/dbraw/zinc/45/76/11/789457611.db2.gz BNHZKDQTJVJXIO-FUHWJXTLSA-N 2 0 345.487 2.494 10 0 EEAERP O[C@H](CCc1ccccc1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923408649 789514498 /nfs/dbraw/zinc/51/44/98/789514498.db2.gz DJMXWRIQSBRZJS-UXHICEINSA-N 2 0 332.488 2.071 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413603 789520323 /nfs/dbraw/zinc/52/03/23/789520323.db2.gz GLCWUKPOJJEPQU-UXLLHSPISA-N 2 0 338.879 2.462 10 0 EEAERP Cc1cc(C)cc(OC[C@H](O)CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000923426149 789527938 /nfs/dbraw/zinc/52/79/38/789527938.db2.gz NJLUMAPJODAQDH-LZWOXQAQSA-N 2 0 346.393 2.112 10 0 EEAERP CCc1ccccc1NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456419 789573148 /nfs/dbraw/zinc/57/31/48/789573148.db2.gz PFNNLKJAWKXUII-INIZCTEOSA-N 2 0 331.460 2.017 10 0 EEAERP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451743 789583844 /nfs/dbraw/zinc/58/38/44/789583844.db2.gz CLMFYDNCHVZOFO-ZBFHGGJFSA-N 2 0 349.450 2.291 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923490552 789659681 /nfs/dbraw/zinc/65/96/81/789659681.db2.gz DMJFAFCZCMWEPH-ZLDLUXBVSA-N 2 0 327.266 2.399 10 0 EEAERP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496776 789669727 /nfs/dbraw/zinc/66/97/27/789669727.db2.gz DIZPXSPYJONYJG-PMPSAXMXSA-N 2 0 342.487 2.132 10 0 EEAERP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503635 789700614 /nfs/dbraw/zinc/70/06/14/789700614.db2.gz JVFXKONSNHPOGT-VYCVNGLKSA-N 2 0 333.520 2.377 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000913951775 794645747 /nfs/dbraw/zinc/64/57/47/794645747.db2.gz MSNRUBDOUVYPJB-YJBOKZPZSA-N 2 0 330.476 2.174 10 0 EEAERP CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716676801 796406078 /nfs/dbraw/zinc/40/60/78/796406078.db2.gz CWNJCVCQWNTNLA-OTWHNJEPSA-N 2 0 329.488 2.401 10 0 EEAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000922502566 801195256 /nfs/dbraw/zinc/19/52/56/801195256.db2.gz DTZSNXFSVYEHAP-LRYGQEGESA-N 2 0 347.507 2.201 10 0 EEAERP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183598865 801665058 /nfs/dbraw/zinc/66/50/58/801665058.db2.gz DXNLYBCDYMHORT-KRWDZBQOSA-N 2 0 330.476 2.290 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001566002216 1125496297 /nfs/dbraw/zinc/49/62/97/1125496297.db2.gz UKNJWNXRWZAONN-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001566464931 1125624825 /nfs/dbraw/zinc/62/48/25/1125624825.db2.gz BPTQEVLMDSWCTD-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cccnc1 ZINC001566470354 1125631696 /nfs/dbraw/zinc/63/16/96/1125631696.db2.gz RIHKMJKCNRVLJZ-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001566534713 1125704575 /nfs/dbraw/zinc/70/45/75/1125704575.db2.gz VXEVVKKAYVHEAY-WMZOPIPTSA-N 2 0 349.523 2.218 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CC2CC(F)(F)C2)C2CC2)CC[N@@H+]1C ZINC001566587503 1125775837 /nfs/dbraw/zinc/77/58/37/1125775837.db2.gz IBDYUZGAQFBNFR-CZUORRHYSA-N 2 0 343.462 2.343 10 0 EEAERP CO[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C)c1ccccc1 ZINC001436862850 1088516924 /nfs/dbraw/zinc/51/69/24/1088516924.db2.gz PHCLTKSGAJTZGM-CEXWTWQISA-N 2 0 345.487 2.001 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]21 ZINC001437083220 1089026355 /nfs/dbraw/zinc/02/63/55/1089026355.db2.gz XHHLUNMOKDHMBJ-JMBOHWQVSA-N 2 0 339.483 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437156568 1089158614 /nfs/dbraw/zinc/15/86/14/1089158614.db2.gz OCQZTYZMDVWTNL-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCc1c(F)cccc1F ZINC001437185740 1089223511 /nfs/dbraw/zinc/22/35/11/1089223511.db2.gz IUTWEUBECPVLPV-DYVFJYSZSA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001437202294 1089266279 /nfs/dbraw/zinc/26/62/79/1089266279.db2.gz GOGRFWKSKSHMLO-INIZCTEOSA-N 2 0 348.535 2.325 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001437212903 1089291271 /nfs/dbraw/zinc/29/12/71/1089291271.db2.gz HMOCZMXIJLSVBM-HIFRSBDPSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCc4ccccc43)C2)CC1 ZINC001437308821 1089465818 /nfs/dbraw/zinc/46/58/18/1089465818.db2.gz GYVUXOVDWHGTGE-LPHOPBHVSA-N 2 0 341.499 2.454 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321031 1089482080 /nfs/dbraw/zinc/48/20/80/1089482080.db2.gz IKFGEAXCQRARIX-IRXDYDNUSA-N 2 0 348.491 2.376 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1 ZINC001437370597 1089609015 /nfs/dbraw/zinc/60/90/15/1089609015.db2.gz HBGJSOVJOZBDDN-KDOFPFPSSA-N 2 0 333.451 2.152 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCOc1ccccc1 ZINC001437622480 1090134579 /nfs/dbraw/zinc/13/45/79/1090134579.db2.gz ZNADHMAKUJSNPK-ROUUACIJSA-N 2 0 347.503 2.234 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001437913252 1090496288 /nfs/dbraw/zinc/49/62/88/1090496288.db2.gz XXGRZMGBMBGFIX-HOTGVXAUSA-N 2 0 343.462 2.296 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001438209434 1090696679 /nfs/dbraw/zinc/69/66/79/1090696679.db2.gz GHWYZMLARNYSNJ-FXAWDEMLSA-N 2 0 343.515 2.324 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001438310808 1090788979 /nfs/dbraw/zinc/78/89/79/1090788979.db2.gz GWOGHSSCLBMPKB-CRAIPNDOSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1cncc(C)c1 ZINC001438319531 1090795115 /nfs/dbraw/zinc/79/51/15/1090795115.db2.gz ROWLEHPNHUTXIM-GOSISDBHSA-N 2 0 344.503 2.250 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001438367537 1090843739 /nfs/dbraw/zinc/84/37/39/1090843739.db2.gz NAAIASQPXSGWNA-CVEARBPZSA-N 2 0 329.444 2.369 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001438443824 1090946607 /nfs/dbraw/zinc/94/66/07/1090946607.db2.gz XUAVWYZWQKBYDW-QAQDUYKDSA-N 2 0 336.455 2.080 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC[C@H](C)F)C2)CC1 ZINC001438465150 1090971836 /nfs/dbraw/zinc/97/18/36/1090971836.db2.gz UAVWXLHKMXZXIL-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001438648949 1091133659 /nfs/dbraw/zinc/13/36/59/1091133659.db2.gz GVOBYFDYNTVQNN-MRXNPFEDSA-N 2 0 347.503 2.254 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001445395075 1091139954 /nfs/dbraw/zinc/13/99/54/1091139954.db2.gz NAIPTOFXCDDKEZ-QGZVFWFLSA-N 2 0 329.488 2.465 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001438659908 1091149137 /nfs/dbraw/zinc/14/91/37/1091149137.db2.gz GUVFWALIQVMUJV-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H](CNCc1nc2ccccc2o1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445571388 1091350403 /nfs/dbraw/zinc/35/04/03/1091350403.db2.gz JXSHGKKOUKTBOR-LSDHHAIUSA-N 2 0 344.459 2.297 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1F ZINC001438831912 1091453656 /nfs/dbraw/zinc/45/36/56/1091453656.db2.gz STAMUTDQGFMPQT-INIZCTEOSA-N 2 0 327.419 2.147 10 0 EEAERP CCc1cccc(C[N@H+](C)CCN(C)C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001438931364 1091612201 /nfs/dbraw/zinc/61/22/01/1091612201.db2.gz GKIYDZQCWMKCMO-LJQANCHMSA-N 2 0 331.504 2.481 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001438962470 1091656382 /nfs/dbraw/zinc/65/63/82/1091656382.db2.gz MUSXXLVFGPBNIM-YPMHNXCESA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439124932 1091768274 /nfs/dbraw/zinc/76/82/74/1091768274.db2.gz XSKUEVVHHDKULU-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439169104 1091817094 /nfs/dbraw/zinc/81/70/94/1091817094.db2.gz WLEAZRHWSYAEOS-HZPDHXFCSA-N 2 0 340.471 2.171 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001439255192 1091904608 /nfs/dbraw/zinc/90/46/08/1091904608.db2.gz CCPNUZNIZAYPRZ-DLBZAZTESA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)c(C)n1 ZINC001445971846 1091927744 /nfs/dbraw/zinc/92/77/44/1091927744.db2.gz UBLPFNJEERJRGB-IBGZPJMESA-N 2 0 344.503 2.025 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2scnc2C)CC[N@@H+]1C ZINC001439328849 1092011983 /nfs/dbraw/zinc/01/19/83/1092011983.db2.gz UHGUAAOABDKWHX-AEGPPILISA-N 2 0 338.521 2.118 10 0 EEAERP Cc1nocc1CN1CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001446044062 1092044617 /nfs/dbraw/zinc/04/46/17/1092044617.db2.gz AWMXQSJJQBTRKF-KRWDZBQOSA-N 2 0 348.491 2.327 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCc1cccs1 ZINC001446061116 1092074958 /nfs/dbraw/zinc/07/49/58/1092074958.db2.gz WWWKDXNRDCJKEL-CVEARBPZSA-N 2 0 335.517 2.356 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001439530574 1092384392 /nfs/dbraw/zinc/38/43/92/1092384392.db2.gz BARXAKGVDBECEV-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP COCC[N@H+](C/C=C/Cl)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001446310196 1092491830 /nfs/dbraw/zinc/49/18/30/1092491830.db2.gz YLJBLLXBBISDQI-VMPITWQZSA-N 2 0 345.915 2.019 10 0 EEAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)[NH+]1CCCCC1 ZINC001439674530 1092616157 /nfs/dbraw/zinc/61/61/57/1092616157.db2.gz GKPXYZYOVGTKGH-HZPDHXFCSA-N 2 0 327.488 2.483 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH+](CCF)C1 ZINC001439682026 1092624336 /nfs/dbraw/zinc/62/43/36/1092624336.db2.gz GPJSSHBMAXMUGT-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001439919532 1092996517 /nfs/dbraw/zinc/99/65/17/1092996517.db2.gz DECWFNYKYRAXQH-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001440219085 1093295324 /nfs/dbraw/zinc/29/53/24/1093295324.db2.gz HXPQLUACNJDBKA-XIRDDKMYSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)n1ccnc1 ZINC001440304220 1093431465 /nfs/dbraw/zinc/43/14/65/1093431465.db2.gz MBPBXEQOCBPISX-WCXIOVBPSA-N 2 0 348.491 2.134 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@@H](C)c3ncc(C)o3)C[C@H]21 ZINC001448449331 1093460700 /nfs/dbraw/zinc/46/07/00/1093460700.db2.gz DQPFGEIEDSQUSR-LUKYLMHMSA-N 2 0 348.491 2.070 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3cccs3)C[C@@H]2C1 ZINC001448466124 1093477201 /nfs/dbraw/zinc/47/72/01/1093477201.db2.gz DLYWCJOQRFEHTE-YESZJQIVSA-N 2 0 349.544 2.459 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC001440393799 1093571144 /nfs/dbraw/zinc/57/11/44/1093571144.db2.gz ZXFIPICRSPLJIV-ZWKOTPCHSA-N 2 0 329.488 2.403 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCO)C1)c1ccccc1 ZINC001440462327 1093682244 /nfs/dbraw/zinc/68/22/44/1093682244.db2.gz DRISBFUNEWMGTG-MOPGFXCFSA-N 2 0 347.503 2.033 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001440476943 1093707159 /nfs/dbraw/zinc/70/71/59/1093707159.db2.gz ZWXWTVXSTBPLOE-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C)[NH+](C)C ZINC001440491087 1093728271 /nfs/dbraw/zinc/72/82/71/1093728271.db2.gz UOOFLYMGKTXFQE-PVAVHDDUSA-N 2 0 337.533 2.456 10 0 EEAERP CCC1([NH2+]Cc2cnccc2C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001440516891 1093766459 /nfs/dbraw/zinc/76/64/59/1093766459.db2.gz AYXDUNSDHDAKSW-SFHVURJKSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(O)ccc1Cl ZINC001448774074 1093851378 /nfs/dbraw/zinc/85/13/78/1093851378.db2.gz ANOQPVWZBZSQCW-CYBMUJFWSA-N 2 0 339.867 2.078 10 0 EEAERP COc1cccc(C[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)c1C ZINC001440610970 1093876377 /nfs/dbraw/zinc/87/63/77/1093876377.db2.gz UPPLHKDVAKBUCW-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1F ZINC001440654915 1093927514 /nfs/dbraw/zinc/92/75/14/1093927514.db2.gz AKGAGWKGOOTCKM-LRDDRELGSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001440729999 1093976834 /nfs/dbraw/zinc/97/68/34/1093976834.db2.gz DUDDLOJCDAITAG-SFHVURJKSA-N 2 0 347.503 2.248 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001440841224 1094096131 /nfs/dbraw/zinc/09/61/31/1094096131.db2.gz VDDLZNCIIVIIRN-IAGOWNOFSA-N 2 0 347.503 2.410 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cccnc2)C1 ZINC001440963934 1094221969 /nfs/dbraw/zinc/22/19/69/1094221969.db2.gz SKJQQUQWTJSCET-AEFFLSMTSA-N 2 0 332.492 2.140 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]2CC[NH+](C)C2)ccc1C ZINC001440993367 1094260311 /nfs/dbraw/zinc/26/03/11/1094260311.db2.gz CHFKZVZXKUVLPD-WMZOPIPTSA-N 2 0 347.503 2.282 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001449375682 1094346199 /nfs/dbraw/zinc/34/61/99/1094346199.db2.gz TZVNJAQUQLMGIP-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC001441208723 1094571884 /nfs/dbraw/zinc/57/18/84/1094571884.db2.gz VFZSOUAISZWCFW-RTBURBONSA-N 2 0 344.503 2.249 10 0 EEAERP CCc1ccc(C[NH2+][C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001441272523 1094684788 /nfs/dbraw/zinc/68/47/88/1094684788.db2.gz VHSDDMODABXBLQ-LJQANCHMSA-N 2 0 341.499 2.329 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001441372874 1094904215 /nfs/dbraw/zinc/90/42/15/1094904215.db2.gz FFPAKMGKXBVJDI-CZIWCDLHSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001441417709 1095002202 /nfs/dbraw/zinc/00/22/02/1095002202.db2.gz KZZGYMWLXFLYQD-RBSFLKMASA-N 2 0 331.451 2.391 10 0 EEAERP Cc1conc1CNC[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001441458037 1095110664 /nfs/dbraw/zinc/11/06/64/1095110664.db2.gz FAHZUTRKLZYVHJ-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001441860160 1095959264 /nfs/dbraw/zinc/95/92/64/1095959264.db2.gz IGDWUBJPTCRUBT-IEBWSBKVSA-N 2 0 346.475 2.081 10 0 EEAERP CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001441878232 1096002442 /nfs/dbraw/zinc/00/24/42/1096002442.db2.gz RMCAJTPQIDSCJH-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP CN(C)c1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441922829 1096105443 /nfs/dbraw/zinc/10/54/43/1096105443.db2.gz JLNCOMMEAWFAKV-WMZOPIPTSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001442006718 1096210659 /nfs/dbraw/zinc/21/06/59/1096210659.db2.gz WIBASUGUFGTOFC-DZGCQCFKSA-N 2 0 336.480 2.150 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001442017027 1096224693 /nfs/dbraw/zinc/22/46/93/1096224693.db2.gz VESZVISBUMFLBG-LRDDRELGSA-N 2 0 339.430 2.388 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnoc2C)C1)[NH+](CC)CC ZINC001442157034 1096411859 /nfs/dbraw/zinc/41/18/59/1096411859.db2.gz QYPUHUQLQMTLNX-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC2)o1 ZINC001442208950 1096494644 /nfs/dbraw/zinc/49/46/44/1096494644.db2.gz DXFBRNDIOBSDLF-CQSZACIVSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+](C)C(C)C)C2)c(C)s1 ZINC001442263541 1096566686 /nfs/dbraw/zinc/56/66/86/1096566686.db2.gz ZPVPWCJGOXZEOU-UHFFFAOYSA-N 2 0 338.521 2.179 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001442487600 1096826615 /nfs/dbraw/zinc/82/66/15/1096826615.db2.gz JSBUNGBHAXMPNZ-VDZJLULYSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1ccc(C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001443044060 1097452940 /nfs/dbraw/zinc/45/29/40/1097452940.db2.gz LLIQLSRKDIICMB-UHFFFAOYSA-N 2 0 327.472 2.171 10 0 EEAERP C[N@H+](CCCc1ccccc1)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001443316590 1097800998 /nfs/dbraw/zinc/80/09/98/1097800998.db2.gz ZTBSYOXWWQSERE-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC001443417255 1097918851 /nfs/dbraw/zinc/91/88/51/1097918851.db2.gz MAZXNRSILWUUQI-GOSISDBHSA-N 2 0 340.471 2.267 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2cn(C(C)C)nc2C)C1 ZINC001443831069 1098337267 /nfs/dbraw/zinc/33/72/67/1098337267.db2.gz GYEWPHJXEVOILK-SFHVURJKSA-N 2 0 349.523 2.147 10 0 EEAERP CN(C(=O)C1([NH+](C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC001443903100 1098427863 /nfs/dbraw/zinc/42/78/63/1098427863.db2.gz FOZNAONCSNFRPM-UHFFFAOYSA-N 2 0 333.476 2.464 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001443956537 1098476322 /nfs/dbraw/zinc/47/63/22/1098476322.db2.gz AISKMCLGZPOYJL-YPMHNXCESA-N 2 0 344.912 2.265 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCc1ccns1 ZINC001443964629 1098482984 /nfs/dbraw/zinc/48/29/84/1098482984.db2.gz MMKOLUGGAGMIGV-AWEZNQCLSA-N 2 0 338.521 2.044 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1Cl ZINC001444032367 1098552070 /nfs/dbraw/zinc/55/20/70/1098552070.db2.gz FGOAJAAKUUTMPA-ZFWWWQNUSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001479586568 1098620140 /nfs/dbraw/zinc/62/01/40/1098620140.db2.gz RHJBMRSSXTWLIM-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC(C)C ZINC001479647560 1098677792 /nfs/dbraw/zinc/67/77/92/1098677792.db2.gz TXRCSSKIPFUTIT-KSZLIROESA-N 2 0 339.524 2.255 10 0 EEAERP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)o1 ZINC001479708707 1098785001 /nfs/dbraw/zinc/78/50/01/1098785001.db2.gz IVAOSWCOGZPWMZ-ZBFHGGJFSA-N 2 0 348.491 2.109 10 0 EEAERP CC[C@@H](C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001479741890 1098863193 /nfs/dbraw/zinc/86/31/93/1098863193.db2.gz MJVUZYKZECQVDS-CYBMUJFWSA-N 2 0 338.521 2.115 10 0 EEAERP Cc1cncc(C[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)c1 ZINC001479870676 1099217728 /nfs/dbraw/zinc/21/77/28/1099217728.db2.gz LFTXIUXOPKKTGM-LJQANCHMSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC1CC(F)(F)C1)C1CC1 ZINC001479873640 1099230131 /nfs/dbraw/zinc/23/01/31/1099230131.db2.gz DKXIIAGMGRZGNS-OAHLLOKOSA-N 2 0 329.435 2.097 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001479979971 1099433723 /nfs/dbraw/zinc/43/37/23/1099433723.db2.gz BTEKQSCOKHKICD-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001480021690 1099500193 /nfs/dbraw/zinc/50/01/93/1099500193.db2.gz RZZZSVHTMKQMLU-ZMYBRWDISA-N 2 0 347.478 2.459 10 0 EEAERP O=C(NC[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001480030919 1099520454 /nfs/dbraw/zinc/52/04/54/1099520454.db2.gz NEGOUHYRYSDUCQ-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](CC(C)C)NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001444777473 1099679802 /nfs/dbraw/zinc/67/98/02/1099679802.db2.gz RECOVSDSAACUTK-HNNXBMFYSA-N 2 0 336.480 2.088 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001480167475 1099743054 /nfs/dbraw/zinc/74/30/54/1099743054.db2.gz LXCGABZJAUKULX-VQHPVUNQSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)sn1 ZINC001444887193 1099920501 /nfs/dbraw/zinc/92/05/01/1099920501.db2.gz JJGCWSIHNARPNI-HZPDHXFCSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cncc(C[NH+]2CCCC[C@@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001480330087 1100084816 /nfs/dbraw/zinc/08/48/16/1100084816.db2.gz CEDDNYQTKCCOPU-IEBWSBKVSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001446433956 1100853507 /nfs/dbraw/zinc/85/35/07/1100853507.db2.gz FGQZCANDHHZKOD-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001446435005 1100854027 /nfs/dbraw/zinc/85/40/27/1100854027.db2.gz NYDFMJDMPNEBOK-ZWKOTPCHSA-N 2 0 335.467 2.447 10 0 EEAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC001446447857 1100868510 /nfs/dbraw/zinc/86/85/10/1100868510.db2.gz SCNUKIZSFRPLFQ-WMZOPIPTSA-N 2 0 349.523 2.074 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001496358826 1100951364 /nfs/dbraw/zinc/95/13/64/1100951364.db2.gz CXDZTFNVNMHUDI-MAUKXSAKSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@@H]1CCCOC1)C1CCCC1 ZINC001446509786 1100960535 /nfs/dbraw/zinc/96/05/35/1100960535.db2.gz NQANHSVDWWKNHF-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001496406208 1101000005 /nfs/dbraw/zinc/00/00/05/1101000005.db2.gz HEONBOFIRWCJDK-GOEBONIOSA-N 2 0 338.521 2.344 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccncc2Cl)C1 ZINC001446597177 1101091188 /nfs/dbraw/zinc/09/11/88/1101091188.db2.gz BOUOQNGJJQHYEA-QGZVFWFLSA-N 2 0 338.883 2.015 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2ncc(C)o2)CC1)[NH+](C)C ZINC001495433466 1101151090 /nfs/dbraw/zinc/15/10/90/1101151090.db2.gz ZRCZZAQLZWUWIW-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001495446337 1101160473 /nfs/dbraw/zinc/16/04/73/1101160473.db2.gz WMDHSGITXGHWIA-UHFFFAOYSA-N 2 0 348.491 2.269 10 0 EEAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001495461688 1101174483 /nfs/dbraw/zinc/17/44/83/1101174483.db2.gz ISCDTGSVEJOQFC-QAQDUYKDSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnc(C)cn2)CC1 ZINC001495473365 1101184652 /nfs/dbraw/zinc/18/46/52/1101184652.db2.gz HRXAELBNSDBNQV-ULQDDVLXSA-N 2 0 347.507 2.205 10 0 EEAERP COc1ccc(C[NH+]2CCC(CCNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001495531229 1101244509 /nfs/dbraw/zinc/24/45/09/1101244509.db2.gz OTRVNQZKKIHKQD-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](Cc2ccsc2)CCC1(F)F ZINC001446726996 1101300321 /nfs/dbraw/zinc/30/03/21/1101300321.db2.gz OWCBZQGDKBYWBO-AWEZNQCLSA-N 2 0 345.459 2.273 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CCCC1 ZINC001495939512 1101794376 /nfs/dbraw/zinc/79/43/76/1101794376.db2.gz JTOXOHFNPJJBEX-UHFFFAOYSA-N 2 0 338.883 2.205 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2([NH2+]CCF)CCCC2)C1 ZINC001495943646 1101802045 /nfs/dbraw/zinc/80/20/45/1101802045.db2.gz JDMIRDGKHOXDNI-QGZVFWFLSA-N 2 0 331.451 2.187 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cncc(F)c3)CCCC2)C1 ZINC001495954128 1101823979 /nfs/dbraw/zinc/82/39/79/1101823979.db2.gz YDVLRLYBZMKPRL-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496078805 1102020887 /nfs/dbraw/zinc/02/08/87/1102020887.db2.gz IHSXOWVRBSANAZ-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001496098154 1102057302 /nfs/dbraw/zinc/05/73/02/1102057302.db2.gz UBSOUTJPMGVBAN-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP COC[C@@H](C)[N@@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001447155754 1102101610 /nfs/dbraw/zinc/10/16/10/1102101610.db2.gz PJGDMXVWAQRPHM-MRXNPFEDSA-N 2 0 347.503 2.038 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001497206640 1102127042 /nfs/dbraw/zinc/12/70/42/1102127042.db2.gz VOEOGVDPTCGYCY-OAHLLOKOSA-N 2 0 332.492 2.167 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC2CCOCC2)C1 ZINC001497257312 1102205992 /nfs/dbraw/zinc/20/59/92/1102205992.db2.gz WHZHJLURXRHQKG-FUHWJXTLSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](CC[NH2+]CCC1CCOCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497296208 1102270285 /nfs/dbraw/zinc/27/02/85/1102270285.db2.gz BUAXIAMQKBWJAX-KRWDZBQOSA-N 2 0 339.524 2.019 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)c1C ZINC001447293836 1102383078 /nfs/dbraw/zinc/38/30/78/1102383078.db2.gz FCIXUHYUJBAQBI-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)nsc1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497439951 1102491147 /nfs/dbraw/zinc/49/11/47/1102491147.db2.gz VXFDKTWIJXPVJR-INIZCTEOSA-N 2 0 338.521 2.182 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497500305 1102588921 /nfs/dbraw/zinc/58/89/21/1102588921.db2.gz FIBXNGKECCCHQB-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001497549293 1102651832 /nfs/dbraw/zinc/65/18/32/1102651832.db2.gz OOPASBBKVOFDDW-WRFKIARRSA-N 2 0 345.487 2.038 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001447436595 1102652348 /nfs/dbraw/zinc/65/23/48/1102652348.db2.gz DRKQCDSDLOSXTO-KRWDZBQOSA-N 2 0 343.462 2.298 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCF)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001497578800 1102692983 /nfs/dbraw/zinc/69/29/83/1102692983.db2.gz JOBZYXQHAZGVCP-APHBUQMISA-N 2 0 325.472 2.263 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497622332 1102766186 /nfs/dbraw/zinc/76/61/86/1102766186.db2.gz ZMPVMNWQSRBEOC-BQYQJAHWSA-N 2 0 348.491 2.398 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001497661263 1102848283 /nfs/dbraw/zinc/84/82/83/1102848283.db2.gz OFISLQSZFUIYEQ-OOFWQKGWSA-N 2 0 327.472 2.278 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccc2cccnc21)[NH+](C)C ZINC001497682016 1102892924 /nfs/dbraw/zinc/89/29/24/1102892924.db2.gz XWLNYOAWNSWHRB-QWNKOJSDSA-N 2 0 340.471 2.337 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)c1C ZINC001497731053 1102980910 /nfs/dbraw/zinc/98/09/10/1102980910.db2.gz MBKHITWMRHGFDR-LAQIPUCWSA-N 2 0 345.487 2.107 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001447618397 1102981964 /nfs/dbraw/zinc/98/19/64/1102981964.db2.gz BHUFYJHCQJXPBY-KRWDZBQOSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1nocc1C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001447697586 1103129474 /nfs/dbraw/zinc/12/94/74/1103129474.db2.gz BBTXDKXHAGEGCN-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497835498 1103168253 /nfs/dbraw/zinc/16/82/53/1103168253.db2.gz BMKJUMVODDFDAI-JTDSTZFVSA-N 2 0 331.504 2.226 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497927181 1103349036 /nfs/dbraw/zinc/34/90/36/1103349036.db2.gz RNLOXUUASXQCRC-UKRRQHHQSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CCNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001494017522 1103350951 /nfs/dbraw/zinc/35/09/51/1103350951.db2.gz BQCROUOYUARUNP-FUHWJXTLSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1oncc1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001447817632 1103380560 /nfs/dbraw/zinc/38/05/60/1103380560.db2.gz OGJWVHDGDYZBTI-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001497950878 1103398345 /nfs/dbraw/zinc/39/83/45/1103398345.db2.gz RPJITUSIEUWXSY-MRXNPFEDSA-N 2 0 337.508 2.082 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001497954371 1103407169 /nfs/dbraw/zinc/40/71/69/1103407169.db2.gz BBMOGCZMTJGSEI-MLGOLLRUSA-N 2 0 339.430 2.388 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447885070 1103516183 /nfs/dbraw/zinc/51/61/83/1103516183.db2.gz YCLSCNSURYHGKZ-CHWSQXEVSA-N 2 0 336.505 2.063 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)n1 ZINC001447904690 1103561816 /nfs/dbraw/zinc/56/18/16/1103561816.db2.gz IIPKJJJWNQGQDF-IAGOWNOFSA-N 2 0 346.519 2.413 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001447920619 1103601517 /nfs/dbraw/zinc/60/15/17/1103601517.db2.gz OIGGVZUUVNSTAZ-OLZOCXBDSA-N 2 0 327.419 2.289 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC[C@@H]2CCCCO2)C1 ZINC001494178048 1103649919 /nfs/dbraw/zinc/64/99/19/1103649919.db2.gz FPORBHWUVQAEPQ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccns1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001447975136 1103716653 /nfs/dbraw/zinc/71/66/53/1103716653.db2.gz BWLVFLFEHAYZOH-CQSZACIVSA-N 2 0 338.521 2.059 10 0 EEAERP Cc1cnc(C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)s1 ZINC001447984922 1103738858 /nfs/dbraw/zinc/73/88/58/1103738858.db2.gz ARYLQASVDNPPNP-UHFFFAOYSA-N 2 0 340.537 2.366 10 0 EEAERP CCc1ccccc1CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494615491 1104199768 /nfs/dbraw/zinc/19/97/68/1104199768.db2.gz SMKJTZLPWQQVFD-QGZVFWFLSA-N 2 0 343.515 2.181 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001448337471 1104419532 /nfs/dbraw/zinc/41/95/32/1104419532.db2.gz QJQJKIPKSRSACA-LBPRGKRZSA-N 2 0 338.521 2.037 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1C ZINC001495004851 1104647825 /nfs/dbraw/zinc/64/78/25/1104647825.db2.gz HULYSDPDVYACRT-QZTJIDSGSA-N 2 0 347.503 2.343 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC001480597920 1106737241 /nfs/dbraw/zinc/73/72/41/1106737241.db2.gz WHOZDQCWQYONFM-MJGOQNOKSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498042884 1106825335 /nfs/dbraw/zinc/82/53/35/1106825335.db2.gz CQKMZAMETZUQHU-KBXCAEBGSA-N 2 0 349.906 2.319 10 0 EEAERP CCc1cccc(OCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001498449170 1107552245 /nfs/dbraw/zinc/55/22/45/1107552245.db2.gz CELPRKRFORCGTD-FUHWJXTLSA-N 2 0 347.503 2.016 10 0 EEAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001498576714 1107749794 /nfs/dbraw/zinc/74/97/94/1107749794.db2.gz DENRLGQRKLOHTK-AWEZNQCLSA-N 2 0 333.411 2.067 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270044 1107822575 /nfs/dbraw/zinc/82/25/75/1107822575.db2.gz ZZONNCIYMSJLEB-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP 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ZINC001505685028 1114129978 /nfs/dbraw/zinc/12/99/78/1114129978.db2.gz DIVXGXZGVOCGEL-IRXDYDNUSA-N 2 0 347.503 2.028 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001505707661 1114142908 /nfs/dbraw/zinc/14/29/08/1114142908.db2.gz WTTCKMRNAWHTRO-KBPBESRZSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506038384 1114365210 /nfs/dbraw/zinc/36/52/10/1114365210.db2.gz IXTZASDSKIHIIG-NVXWUHKLSA-N 2 0 342.487 2.446 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001506483876 1114641707 /nfs/dbraw/zinc/64/17/07/1114641707.db2.gz AVOXQDWOTCRQIA-RBUKOAKNSA-N 2 0 346.519 2.304 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506540183 1114685220 /nfs/dbraw/zinc/68/52/20/1114685220.db2.gz VKXGDUJCSDWOOC-ZWKOTPCHSA-N 2 0 332.492 2.331 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2csc(C)n2)CC1(C)C ZINC001506749715 1114864066 /nfs/dbraw/zinc/86/40/66/1114864066.db2.gz IBCVHRBMFFTLNP-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001506803326 1114887688 /nfs/dbraw/zinc/88/76/88/1114887688.db2.gz KNHCNKNOOYQPJQ-OWZKRDHZSA-N 2 0 341.499 2.310 10 0 EEAERP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001506841914 1114906914 /nfs/dbraw/zinc/90/69/14/1114906914.db2.gz QKRLCMIORIUHRS-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C1 ZINC001506853838 1114917752 /nfs/dbraw/zinc/91/77/52/1114917752.db2.gz DYCDXFAIXQESQX-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](F)C[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001506930505 1114982172 /nfs/dbraw/zinc/98/21/72/1114982172.db2.gz WMLDDVPSWPUDMV-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001506945393 1114994515 /nfs/dbraw/zinc/99/45/15/1114994515.db2.gz FLQXWUOQUALELK-ZIAGYGMSSA-N 2 0 331.451 2.248 10 0 EEAERP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001507091124 1115103204 /nfs/dbraw/zinc/10/32/04/1115103204.db2.gz HOBDDWNMCAJALB-CABCVRRESA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001507116361 1115116779 /nfs/dbraw/zinc/11/67/79/1115116779.db2.gz FLMWEEBEYAHHIB-LNLFQRSKSA-N 2 0 331.504 2.396 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1 ZINC001507128454 1115123149 /nfs/dbraw/zinc/12/31/49/1115123149.db2.gz BTOZFHPGAPDNQB-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001507244960 1115160355 /nfs/dbraw/zinc/16/03/55/1115160355.db2.gz YPXXMRKSJPNISZ-IRXDYDNUSA-N 2 0 341.540 2.144 10 0 EEAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001507291185 1115176283 /nfs/dbraw/zinc/17/62/83/1115176283.db2.gz YGXZWZBFMVETLY-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@@H]([NH2+]CCCF)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001507362829 1115223295 /nfs/dbraw/zinc/22/32/95/1115223295.db2.gz SDYDYLCIINQWSG-YESZJQIVSA-N 2 0 337.483 2.191 10 0 EEAERP CN(C)c1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001507412260 1115256860 /nfs/dbraw/zinc/25/68/60/1115256860.db2.gz VFCJSELIUCRXQZ-ROUUACIJSA-N 2 0 346.519 2.079 10 0 EEAERP CC(C)[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001508087722 1115417050 /nfs/dbraw/zinc/41/70/50/1115417050.db2.gz QVNUUGWRBGUYRZ-STQMWFEESA-N 2 0 335.414 2.106 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncc(F)c1 ZINC001568639119 1124651903 /nfs/dbraw/zinc/65/19/03/1124651903.db2.gz KNRJNZLTPQIWDE-WMLDXEAASA-N 2 0 336.455 2.080 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001568673888 1124686262 /nfs/dbraw/zinc/68/62/62/1124686262.db2.gz BTRULSLAYSBSLS-CZUORRHYSA-N 2 0 340.899 2.306 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568678531 1124690485 /nfs/dbraw/zinc/69/04/85/1124690485.db2.gz UABFEHOKPAOZPJ-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001568920603 1124948811 /nfs/dbraw/zinc/94/88/11/1124948811.db2.gz YKSKDGZOKVOXRW-QDLOVBKTSA-N 2 0 333.451 2.238 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001569213746 1125169857 /nfs/dbraw/zinc/16/98/57/1125169857.db2.gz KPDPDHXMKHFRJE-LSDHHAIUSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccns1 ZINC001569218247 1125173315 /nfs/dbraw/zinc/17/33/15/1125173315.db2.gz OIWLCXVYTNXXMI-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001569269219 1125208486 /nfs/dbraw/zinc/20/84/86/1125208486.db2.gz SCGYISPSVVNGCB-HZPDHXFCSA-N 2 0 332.492 2.201 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001569329947 1125232952 /nfs/dbraw/zinc/23/29/52/1125232952.db2.gz XFLDYLUWEFSFJF-ZIAGYGMSSA-N 2 0 348.318 2.151 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173749003 231022216 /nfs/dbraw/zinc/02/22/16/231022216.db2.gz RCIVEWNNIYJMQN-AWEZNQCLSA-N 2 0 327.428 2.415 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000163900748 539536793 /nfs/dbraw/zinc/53/67/93/539536793.db2.gz LYYNVGBUZIYUJW-NRFANRHFSA-N 2 0 345.531 2.430 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccnc(-c3ccccc3)n2)CC1 ZINC000069347500 215380331 /nfs/dbraw/zinc/38/03/31/215380331.db2.gz BNWIZAUERQGBFV-INIZCTEOSA-N 2 0 340.471 2.326 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1OC(F)F ZINC000422813458 240241355 /nfs/dbraw/zinc/24/13/55/240241355.db2.gz RZCVQUPSORHQEQ-KGYLQXTDSA-N 2 0 330.375 2.139 10 0 EEAERP c1ccc(CC[NH+]2CCC(N[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840270 240255081 /nfs/dbraw/zinc/25/50/81/240255081.db2.gz BFTIFLBPTJWXNX-RTWAWAEBSA-N 2 0 343.515 2.050 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000422911519 240285260 /nfs/dbraw/zinc/28/52/60/240285260.db2.gz TYAXATHPZKYAES-GJZGRUSLSA-N 2 0 341.883 2.271 10 0 EEAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423468533 240495506 /nfs/dbraw/zinc/49/55/06/240495506.db2.gz CCSXLOXRJHUNLV-GXTWGEPZSA-N 2 0 342.281 2.121 10 0 EEAERP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000425345888 241135501 /nfs/dbraw/zinc/13/55/01/241135501.db2.gz KEKOWLPTUDBZPY-RCCFBDPRSA-N 2 0 347.528 2.368 10 0 EEAERP CN(C)c1cc[n+](C[C@H](O)C[n+]2ccc(-c3ccccc3)cc2)cc1 ZINC000005342470 210443787 /nfs/dbraw/zinc/44/37/87/210443787.db2.gz BCKCUAKHKJPIFR-OAQYLSRUSA-N 2 0 335.451 2.056 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000173532734 255825611 /nfs/dbraw/zinc/82/56/11/255825611.db2.gz LTXRMCGLLYDPIM-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000273027113 256258180 /nfs/dbraw/zinc/25/81/80/256258180.db2.gz UNUYXAJVELNBCH-KRWDZBQOSA-N 2 0 344.503 2.410 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000358234345 285367365 /nfs/dbraw/zinc/36/73/65/285367365.db2.gz LEFARFTWCVYQQZ-IAGOWNOFSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000262796196 152319227 /nfs/dbraw/zinc/31/92/27/152319227.db2.gz NMPGBHNVHAXKPN-HFTRVMKXSA-N 2 0 333.451 2.152 10 0 EEAERP COc1ccccc1NC(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000122871451 292276772 /nfs/dbraw/zinc/27/67/72/292276772.db2.gz IGVKUYSEGRSGIR-ZBFHGGJFSA-N 2 0 328.416 2.413 10 0 EEAERP [NH3+]Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000188971672 160132973 /nfs/dbraw/zinc/13/29/73/160132973.db2.gz ZVNAGQDKJRDUQS-YJBOKZPZSA-N 2 0 345.393 2.299 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193496409 160182555 /nfs/dbraw/zinc/18/25/55/160182555.db2.gz ZYFIHMWBBQQIEF-KRWDZBQOSA-N 2 0 336.524 2.236 10 0 EEAERP C[N@H+]1C[C@H]2CN([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@H]2C1 ZINC000193638137 160184915 /nfs/dbraw/zinc/18/49/15/160184915.db2.gz YTXDKVIHCMBQMO-BFQNTYOBSA-N 2 0 337.826 2.078 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245538783 160240795 /nfs/dbraw/zinc/24/07/95/160240795.db2.gz HJVVAEUJAUAMOI-QUCCMNQESA-N 2 0 345.487 2.431 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000245659670 160247197 /nfs/dbraw/zinc/24/71/97/160247197.db2.gz PKDATRRNAZMNAT-OKZBNKHCSA-N 2 0 330.476 2.215 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000247095530 160309699 /nfs/dbraw/zinc/30/96/99/160309699.db2.gz JJLFYLCKADAQIY-ROUUACIJSA-N 2 0 347.478 2.496 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000343435909 161135770 /nfs/dbraw/zinc/13/57/70/161135770.db2.gz LDQVYUCRMBXDDX-UHFFFAOYSA-N 2 0 341.499 2.444 10 0 EEAERP CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000355307363 163139403 /nfs/dbraw/zinc/13/94/03/163139403.db2.gz AFOKQZMHFZJDGQ-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278295980 274346196 /nfs/dbraw/zinc/34/61/96/274346196.db2.gz JRGZDUGZXZENEZ-UHFFFAOYSA-N 2 0 345.487 2.231 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000291721758 275333620 /nfs/dbraw/zinc/33/36/20/275333620.db2.gz RBAHLIQYFBFVFA-QFBILLFUSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1cc2ncn(C[C@H](O)C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063888 275370453 /nfs/dbraw/zinc/37/04/53/275370453.db2.gz CSZFVHONUBNSIT-YLJYHZDGSA-N 2 0 342.487 2.042 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000347195262 276393783 /nfs/dbraw/zinc/39/37/83/276393783.db2.gz TVOGDBFPUBKHLF-CVEARBPZSA-N 2 0 333.476 2.264 10 0 EEAERP [NH3+]CCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000423192083 303379832 /nfs/dbraw/zinc/37/98/32/303379832.db2.gz PGZIILOAJLSJNC-LBPRGKRZSA-N 2 0 346.212 2.443 10 0 EEAERP FC(F)(F)C1CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000333633212 312175652 /nfs/dbraw/zinc/17/56/52/312175652.db2.gz WBMLCODODNURSV-UHFFFAOYSA-N 2 0 331.386 2.482 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000414728727 313070428 /nfs/dbraw/zinc/07/04/28/313070428.db2.gz CSMUEBJWXHLGSV-HZPDHXFCSA-N 2 0 345.491 2.030 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000414745322 313075731 /nfs/dbraw/zinc/07/57/31/313075731.db2.gz XXLWVKCXVSOROK-OAHLLOKOSA-N 2 0 333.480 2.077 10 0 EEAERP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416438745 313223524 /nfs/dbraw/zinc/22/35/24/313223524.db2.gz OVTHMXDCIIGDKG-IZGVIRRGSA-N 2 0 336.505 2.275 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000416838830 313330897 /nfs/dbraw/zinc/33/08/97/313330897.db2.gz JGSYEJFPUWKDNT-CGTJXYLNSA-N 2 0 332.492 2.367 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCCCC1 ZINC000416843727 313332872 /nfs/dbraw/zinc/33/28/72/313332872.db2.gz AQRZBFZRTVKQEP-CALCHBBNSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000416874252 313343725 /nfs/dbraw/zinc/34/37/25/313343725.db2.gz PBOYIJMVHXLBSC-MAUKXSAKSA-N 2 0 330.476 2.161 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416905234 313356164 /nfs/dbraw/zinc/35/61/64/313356164.db2.gz QGBWAYXVETYMNC-MJGOQNOKSA-N 2 0 342.487 2.176 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416907946 313356457 /nfs/dbraw/zinc/35/64/57/313356457.db2.gz VJXNXTNYPWSUJO-MOPGFXCFSA-N 2 0 342.487 2.176 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000417944007 313661080 /nfs/dbraw/zinc/66/10/80/313661080.db2.gz VNYXKPRRXVDLRZ-VJFUWPCTSA-N 2 0 336.524 2.280 10 0 EEAERP CCn1nncc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417955247 313666400 /nfs/dbraw/zinc/66/64/00/313666400.db2.gz CXOLYQVNGUEIQI-UHFFFAOYSA-N 2 0 343.475 2.105 10 0 EEAERP O[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCO1 ZINC000527753618 317255760 /nfs/dbraw/zinc/25/57/60/317255760.db2.gz BJZRMEYNEPOEEV-OTWHNJEPSA-N 2 0 330.472 2.313 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015818 317303123 /nfs/dbraw/zinc/30/31/23/317303123.db2.gz YYOCZCWELDAMLH-XJKSGUPXSA-N 2 0 337.489 2.002 10 0 EEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000564907898 319125978 /nfs/dbraw/zinc/12/59/78/319125978.db2.gz SSLXIBPAMLWZGU-GOSISDBHSA-N 2 0 335.467 2.447 10 0 EEAERP CN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000566791758 319321473 /nfs/dbraw/zinc/32/14/73/319321473.db2.gz GILCXSQWIRBFJP-QWHCGFSZSA-N 2 0 332.366 2.129 10 0 EEAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000567821328 319423320 /nfs/dbraw/zinc/42/33/20/319423320.db2.gz ZBOQKAHRCPDZPF-LPHOPBHVSA-N 2 0 344.503 2.375 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)C[C@H]21 ZINC000568966725 319534081 /nfs/dbraw/zinc/53/40/81/319534081.db2.gz SDFCGTNWFVSYMG-DFQSSKMNSA-N 2 0 341.499 2.428 10 0 EEAERP O=C(NC[C@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000576450500 320172861 /nfs/dbraw/zinc/17/28/61/320172861.db2.gz HRFBEGCPFYZTFZ-MVCQKVDPSA-N 2 0 342.487 2.233 10 0 EEAERP COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111065 320294623 /nfs/dbraw/zinc/29/46/23/320294623.db2.gz PMUPWOQLKWHODX-UZLBHIALSA-N 2 0 343.471 2.338 10 0 EEAERP CCC[NH+]1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000339181798 465129170 /nfs/dbraw/zinc/12/91/70/465129170.db2.gz FKSWTQUWJNVZIE-UHFFFAOYSA-N 2 0 333.476 2.231 10 0 EEAERP COc1nccnc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000296335609 465160749 /nfs/dbraw/zinc/16/07/49/465160749.db2.gz HZZMUCXSOCDTEF-UHFFFAOYSA-N 2 0 326.444 2.282 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000358662764 465250415 /nfs/dbraw/zinc/25/04/15/465250415.db2.gz JNIFQXWHONTFQK-UHFFFAOYSA-N 2 0 336.524 2.402 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000552238969 468319757 /nfs/dbraw/zinc/31/97/57/468319757.db2.gz XIMAYQWWGXSBIJ-PCCBWWKXSA-N 2 0 342.531 2.271 10 0 EEAERP CC(C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121791230 463196076 /nfs/dbraw/zinc/19/60/76/463196076.db2.gz PXSKVZPVQWIUNU-JWTNVVGKSA-N 2 0 336.524 2.375 10 0 EEAERP Cc1n[nH]cc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000097159550 463337694 /nfs/dbraw/zinc/33/76/94/463337694.db2.gz ITBNNXVCUBDNGF-UHFFFAOYSA-N 2 0 327.476 2.016 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC000151138460 463482682 /nfs/dbraw/zinc/48/26/82/463482682.db2.gz UQOFJNLNAOLRDM-QGZVFWFLSA-N 2 0 331.504 2.458 10 0 EEAERP OCC[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOC1 ZINC000125552628 463556163 /nfs/dbraw/zinc/55/61/63/463556163.db2.gz UNGVGDBNNBBDQY-HXUWFJFHSA-N 2 0 332.488 2.072 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccnc3)cn2)CC1 ZINC000112529220 463703401 /nfs/dbraw/zinc/70/34/01/463703401.db2.gz ALTIGSZVMGEIHL-MRXNPFEDSA-N 2 0 325.460 2.469 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000170829565 463716195 /nfs/dbraw/zinc/71/61/95/463716195.db2.gz UZOLTFGKZSSSQQ-MOPGFXCFSA-N 2 0 346.519 2.285 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000261626897 463807565 /nfs/dbraw/zinc/80/75/65/463807565.db2.gz CPCUZQCXWHOORA-MOPGFXCFSA-N 2 0 345.487 2.002 10 0 EEAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268928336 463813109 /nfs/dbraw/zinc/81/31/09/463813109.db2.gz WRHFUYUIZFAJKJ-UYAOXDASSA-N 2 0 333.520 2.455 10 0 EEAERP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000262030715 463929550 /nfs/dbraw/zinc/92/95/50/463929550.db2.gz NZPWEEPRFSCMTB-HXUWFJFHSA-N 3 0 336.568 2.114 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000237259151 464293058 /nfs/dbraw/zinc/29/30/58/464293058.db2.gz KACINWRCQBSICW-NUJGCVRESA-N 2 0 345.487 2.466 10 0 EEAERP C[C@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000237373156 464310908 /nfs/dbraw/zinc/31/09/08/464310908.db2.gz LCDLPYGHSWALSX-BHIYHBOVSA-N 2 0 331.504 2.301 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000174173598 464370690 /nfs/dbraw/zinc/37/06/90/464370690.db2.gz JISULDWFAZSGTG-INIZCTEOSA-N 2 0 335.496 2.460 10 0 EEAERP O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)C1CC[NH2+]CC1 ZINC000237771911 464377707 /nfs/dbraw/zinc/37/77/07/464377707.db2.gz AODDYZBOVUSKAY-CQSZACIVSA-N 2 0 337.414 2.045 10 0 EEAERP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237980254 464414767 /nfs/dbraw/zinc/41/47/67/464414767.db2.gz AAZZMJXRDOPTBY-IBGZPJMESA-N 2 0 327.472 2.035 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175633812 464591007 /nfs/dbraw/zinc/59/10/07/464591007.db2.gz SUHRMFWKAKOMIF-QRQLOZEOSA-N 2 0 344.503 2.385 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000246527530 464596820 /nfs/dbraw/zinc/59/68/20/464596820.db2.gz VOMXXISUIWPPER-SQNIBIBYSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579814572 468416237 /nfs/dbraw/zinc/41/62/37/468416237.db2.gz UNYOZBKVSDDECH-IEBWSBKVSA-N 2 0 336.524 2.426 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248683699 464786557 /nfs/dbraw/zinc/78/65/57/464786557.db2.gz FLHILKUUVGRRAK-JHJVBQTASA-N 2 0 325.478 2.181 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000183374163 464856910 /nfs/dbraw/zinc/85/69/10/464856910.db2.gz QENZRUXGODYYNC-KURKYZTESA-N 2 0 336.524 2.233 10 0 EEAERP CC[NH+]1CCC[C@H](Nc2cc(N[C@H]3CCC[N@@H+](CC)C3)ncn2)C1 ZINC000249346742 464864631 /nfs/dbraw/zinc/86/46/31/464864631.db2.gz OLZQIMZJABXOKH-HOTGVXAUSA-N 2 0 332.496 2.269 10 0 EEAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000176891956 464876874 /nfs/dbraw/zinc/87/68/74/464876874.db2.gz SMPXZXWIOUJGES-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000338475956 466157063 /nfs/dbraw/zinc/15/70/63/466157063.db2.gz ZNUWXJPLPSZWCS-GOSISDBHSA-N 2 0 345.487 2.308 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000305232683 466386620 /nfs/dbraw/zinc/38/66/20/466386620.db2.gz ZDVBBQSANUMODP-SFHVURJKSA-N 2 0 331.504 2.423 10 0 EEAERP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597239852 468493139 /nfs/dbraw/zinc/49/31/39/468493139.db2.gz MKODMYSBQSVMIX-WMZOPIPTSA-N 2 0 328.416 2.479 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361378 466506414 /nfs/dbraw/zinc/50/64/14/466506414.db2.gz HFHDKVWNEPXIDZ-LPHOPBHVSA-N 2 0 329.488 2.376 10 0 EEAERP Fc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051087 466690530 /nfs/dbraw/zinc/69/05/30/466690530.db2.gz ZVDJPTCWAZYWNR-UHOFOFEASA-N 2 0 328.378 2.393 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000411500651 466836668 /nfs/dbraw/zinc/83/66/68/466836668.db2.gz GKLZTACMCLGXDH-LJQANCHMSA-N 2 0 330.476 2.111 10 0 EEAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000373695986 466891279 /nfs/dbraw/zinc/89/12/79/466891279.db2.gz KGUPLZCDCICELU-HXUWFJFHSA-N 2 0 337.552 2.418 10 0 EEAERP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417665366 466903622 /nfs/dbraw/zinc/90/36/22/466903622.db2.gz YPIJJURCNZOLBH-INIZCTEOSA-N 2 0 336.455 2.171 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000417949095 466999701 /nfs/dbraw/zinc/99/97/01/466999701.db2.gz UVRNHBIXBMBHLW-RTBURBONSA-N 2 0 344.503 2.463 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000417949092 466999966 /nfs/dbraw/zinc/99/99/66/466999966.db2.gz UVRNHBIXBMBHLW-MOPGFXCFSA-N 2 0 344.503 2.463 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000424329985 467030987 /nfs/dbraw/zinc/03/09/87/467030987.db2.gz RGKYGNINAHIGJD-CVEARBPZSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@@H](CCC[NH3+])NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418047665 467033110 /nfs/dbraw/zinc/03/31/10/467033110.db2.gz UEUIINHJWITDFJ-QFBILLFUSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@]1(CNC(=O)NCC2([NH3+])CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418045189 467033316 /nfs/dbraw/zinc/03/33/16/467033316.db2.gz OAWCXEACFNHXOQ-SFHVURJKSA-N 2 0 330.476 2.222 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000418321563 467092559 /nfs/dbraw/zinc/09/25/59/467092559.db2.gz AWXDJMHVMMDLTM-HNNXBMFYSA-N 2 0 341.459 2.080 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1 ZINC000418501859 467121055 /nfs/dbraw/zinc/12/10/55/467121055.db2.gz SVMSMXATYKNGEE-HZPDHXFCSA-N 2 0 348.397 2.136 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418582618 467131608 /nfs/dbraw/zinc/13/16/08/467131608.db2.gz ABURMXAKMGPOQC-SJLPKXTDSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418700278 467147758 /nfs/dbraw/zinc/14/77/58/467147758.db2.gz FNEYNISGQOQBNK-DKKFBQAASA-N 2 0 344.503 2.418 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418720989 467149892 /nfs/dbraw/zinc/14/98/92/467149892.db2.gz KEDVMQVFMQQSCQ-TXPKVOOTSA-N 2 0 330.476 2.030 10 0 EEAERP CCC[C@@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](O)CCC)C2)C1 ZINC000451041891 467232881 /nfs/dbraw/zinc/23/28/81/467232881.db2.gz BVHPEKCWFBVWDD-PWCSWUJKSA-N 2 0 326.525 2.486 10 0 EEAERP Fc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(F)c1F ZINC000415061929 467478323 /nfs/dbraw/zinc/47/83/23/467478323.db2.gz ZEMGHEYZSCBXRZ-UHFFFAOYSA-N 2 0 327.394 2.410 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)[C@H](C)C1 ZINC000453312401 467478608 /nfs/dbraw/zinc/47/86/08/467478608.db2.gz QUKOUYYWOCESCZ-SJORKVTESA-N 2 0 330.488 2.479 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)[C@@H](C)C1 ZINC000453312397 467478744 /nfs/dbraw/zinc/47/87/44/467478744.db2.gz QUKOUYYWOCESCZ-DLBZAZTESA-N 2 0 330.488 2.479 10 0 EEAERP COc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c2nccn2C)cc1 ZINC000415119105 467493962 /nfs/dbraw/zinc/49/39/62/467493962.db2.gz WWEWXGYZUBDEII-MPGHIAIKSA-N 2 0 328.460 2.496 10 0 EEAERP COCC[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449156947 467621241 /nfs/dbraw/zinc/62/12/41/467621241.db2.gz UEMADJGTKHLATE-RXVVDRJESA-N 2 0 345.531 2.392 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449199780 467623220 /nfs/dbraw/zinc/62/32/20/467623220.db2.gz GCDRLLAPEALQGW-MRXNPFEDSA-N 2 0 331.504 2.444 10 0 EEAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)NC ZINC000449767879 467712174 /nfs/dbraw/zinc/71/21/74/467712174.db2.gz BGBRPSDBNUYHCA-YDZRNGNQSA-N 2 0 329.488 2.401 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529307765 467843706 /nfs/dbraw/zinc/84/37/06/467843706.db2.gz RMNKITMQUDCYRM-JKSUJKDBSA-N 2 0 336.524 2.471 10 0 EEAERP C[N@H+](CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Cc1ccc(F)cc1 ZINC000515143698 467975954 /nfs/dbraw/zinc/97/59/54/467975954.db2.gz PYVHGFLUQCNJSN-LJQANCHMSA-N 2 0 348.466 2.043 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000494422147 468054998 /nfs/dbraw/zinc/05/49/98/468054998.db2.gz BEBKDECLNKUANP-MOPGFXCFSA-N 2 0 331.504 2.468 10 0 EEAERP CC(C)[NH+](Cc1cncc(C[N@@H+](C[C@@H](C)O)C(C)C)c1)C[C@@H](C)O ZINC000517010752 468064137 /nfs/dbraw/zinc/06/41/37/468064137.db2.gz CNYJVLZTKIDFAA-IAGOWNOFSA-N 2 0 337.508 2.264 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000532287392 468108156 /nfs/dbraw/zinc/10/81/56/468108156.db2.gz LSGYTWAQYFYQLO-UHFFFAOYSA-N 2 0 341.446 2.239 10 0 EEAERP CCOC(=O)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000600770878 468652627 /nfs/dbraw/zinc/65/26/27/468652627.db2.gz DFFRUVFXFKBTTE-OAHLLOKOSA-N 2 0 336.432 2.047 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000571223142 468757263 /nfs/dbraw/zinc/75/72/63/468757263.db2.gz RNIFTDIAMRKQDQ-CHWSQXEVSA-N 2 0 346.397 2.447 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1n1cccn1 ZINC000562685702 469036143 /nfs/dbraw/zinc/03/61/43/469036143.db2.gz MABFZPBYWNQLSI-IPMKNSEASA-N 2 0 341.459 2.255 10 0 EEAERP Cc1cnc(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061412 469156180 /nfs/dbraw/zinc/15/61/80/469156180.db2.gz IBHRZPMEERKRPB-ICSRJNTNSA-N 2 0 330.520 2.199 10 0 EEAERP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCCC[C@@H]1C ZINC000573566141 469162644 /nfs/dbraw/zinc/16/26/44/469162644.db2.gz QFZOARVELHOZKH-LSDHHAIUSA-N 2 0 329.448 2.396 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1CCCCC1 ZINC000563093484 469167880 /nfs/dbraw/zinc/16/78/80/469167880.db2.gz SEIVDBYJWCKCOB-QZTJIDSGSA-N 2 0 330.476 2.162 10 0 EEAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000563171354 469187553 /nfs/dbraw/zinc/18/75/53/469187553.db2.gz ZYMUCZSLSSDRKA-BGBBLPDRSA-N 2 0 331.504 2.177 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000618555497 469387724 /nfs/dbraw/zinc/38/77/24/469387724.db2.gz ZRHZWZVYDCGFMK-RTBURBONSA-N 2 0 346.519 2.333 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000604106357 469457561 /nfs/dbraw/zinc/45/75/61/469457561.db2.gz LJJPTPHASWIVPN-MSOLQXFVSA-N 2 0 330.476 2.044 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616696595 469480277 /nfs/dbraw/zinc/48/02/77/469480277.db2.gz CYNIPPWKQITNRJ-UHOSZYNNSA-N 2 0 329.488 2.322 10 0 EEAERP Cn1cc(C[NH2+]CCOCCC[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000629399548 469531557 /nfs/dbraw/zinc/53/15/57/469531557.db2.gz ULZHWBCEXTYXDC-UHFFFAOYSA-N 2 0 328.416 2.288 10 0 EEAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCOCCC[NH3+] ZINC000629401594 469531868 /nfs/dbraw/zinc/53/18/68/469531868.db2.gz TXOALHJPFKJVSA-NSHDSACASA-N 2 0 333.245 2.474 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623402546 469644901 /nfs/dbraw/zinc/64/49/01/469644901.db2.gz OPHFIRSZLOXKOO-MRXNPFEDSA-N 2 0 347.503 2.210 10 0 EEAERP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715044 469742024 /nfs/dbraw/zinc/74/20/24/469742024.db2.gz RKTHFKMOVDZMDE-AEFFLSMTSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[NH2+]1 ZINC000626932990 469760282 /nfs/dbraw/zinc/76/02/82/469760282.db2.gz OKLQPAWSHIKMBU-CRAIPNDOSA-N 2 0 330.476 2.222 10 0 EEAERP CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+](C)C)cc1 ZINC000627038069 469798978 /nfs/dbraw/zinc/79/89/78/469798978.db2.gz XNQQBBBHYPINFJ-QGTPRVQTSA-N 2 0 348.491 2.126 10 0 EEAERP CSc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+](C)C)cc1 ZINC000627044530 469800938 /nfs/dbraw/zinc/80/09/38/469800938.db2.gz ABTLPCGYNYSGLB-APHBMKBZSA-N 2 0 336.505 2.061 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627073750 469807049 /nfs/dbraw/zinc/80/70/49/469807049.db2.gz CEYPEFXADYGTKY-BXUZGUMPSA-N 2 0 345.274 2.257 10 0 EEAERP Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000625518952 470159619 /nfs/dbraw/zinc/15/96/19/470159619.db2.gz GMHLGIXAVOXVPE-GFCCVEGCSA-N 2 0 341.402 2.424 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000631632268 470175482 /nfs/dbraw/zinc/17/54/82/470175482.db2.gz OUCXOHYFKDJRRJ-RBUKOAKNSA-N 2 0 345.487 2.312 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000632912369 470286482 /nfs/dbraw/zinc/28/64/82/470286482.db2.gz LUFGEZUABMLKJV-HZPDHXFCSA-N 2 0 348.491 2.466 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(Nc3cc[nH+]cc3)cc1)C2 ZINC000634745119 470290264 /nfs/dbraw/zinc/29/02/64/470290264.db2.gz WFHUBAFKFZDFQS-BGYRXZFFSA-N 2 0 336.439 2.319 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000638835625 470299220 /nfs/dbraw/zinc/29/92/20/470299220.db2.gz NBIZOGHPBFLJGJ-BARLLCKDSA-N 2 0 329.488 2.388 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(N)c1 ZINC000632969446 470302551 /nfs/dbraw/zinc/30/25/51/470302551.db2.gz HARHLNVJKFYLKC-SFHVURJKSA-N 2 0 347.507 2.457 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000634770059 470303787 /nfs/dbraw/zinc/30/37/87/470303787.db2.gz YRYPEIFFXXFVFF-QEEHTWDDSA-N 2 0 327.472 2.155 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000646186646 470558524 /nfs/dbraw/zinc/55/85/24/470558524.db2.gz CXOBNBDEFOKSOX-LJQANCHMSA-N 2 0 344.503 2.376 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639980687 470743686 /nfs/dbraw/zinc/74/36/86/470743686.db2.gz AFLMENDXVKSCSZ-HXUWFJFHSA-N 2 0 345.531 2.430 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000646937546 470783831 /nfs/dbraw/zinc/78/38/31/470783831.db2.gz NPUPPXSLEXJZDB-LNLFQRSKSA-N 2 0 345.462 2.200 10 0 EEAERP CN(C)C(=O)COc1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480373 470911493 /nfs/dbraw/zinc/91/14/93/470911493.db2.gz KVFZGXZZMNXWQD-SJLPKXTDSA-N 2 0 345.487 2.118 10 0 EEAERP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647549419 470928382 /nfs/dbraw/zinc/92/83/82/470928382.db2.gz YOFDKPDWMGKNGC-SLFFLAALSA-N 2 0 337.467 2.374 10 0 EEAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000650743992 470957110 /nfs/dbraw/zinc/95/71/10/470957110.db2.gz DAEMRCBHIDJJPV-AWEZNQCLSA-N 2 0 337.489 2.006 10 0 EEAERP CCc1nccn1[C@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648199179 471120717 /nfs/dbraw/zinc/12/07/17/471120717.db2.gz BFIQKZUAUDYZAE-PBHICJAKSA-N 2 0 326.444 2.481 10 0 EEAERP CC(C)[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638514275 471128301 /nfs/dbraw/zinc/12/83/01/471128301.db2.gz RUBZEPLFOFUOQN-RTBURBONSA-N 2 0 327.472 2.403 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@]12CCCO2 ZINC000657434947 471135933 /nfs/dbraw/zinc/13/59/33/471135933.db2.gz MHYJQVLSJLQJDL-KSZLIROESA-N 2 0 328.416 2.084 10 0 EEAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104532 471138518 /nfs/dbraw/zinc/13/85/18/471138518.db2.gz OBLNKJYHXJDULV-JLSDUUJJSA-N 2 0 340.471 2.028 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ncccc1C(F)(F)F ZINC000657574069 471173443 /nfs/dbraw/zinc/17/34/43/471173443.db2.gz YENJLAHWEOMQBO-ZDUSSCGKSA-N 2 0 332.414 2.462 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000654851975 471203267 /nfs/dbraw/zinc/20/32/67/471203267.db2.gz NSOXJSLDWSOWJY-MSOLQXFVSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000654858149 471205486 /nfs/dbraw/zinc/20/54/86/471205486.db2.gz CVPFDQJCNQBRNU-ZIFCJYIRSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657869504 471243088 /nfs/dbraw/zinc/24/30/88/471243088.db2.gz XJFNNRWVSOHNKS-QGZVFWFLSA-N 2 0 335.517 2.353 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000655246147 471291793 /nfs/dbraw/zinc/29/17/93/471291793.db2.gz APUMTPHZAWOKTD-LMMKCTJWSA-N 2 0 347.478 2.494 10 0 EEAERP CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663620935 471450923 /nfs/dbraw/zinc/45/09/23/471450923.db2.gz SLHDQQKQWZEAIL-QZTJIDSGSA-N 2 0 338.540 2.479 10 0 EEAERP CCC[NH+]1CCC(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659034566 471477961 /nfs/dbraw/zinc/47/79/61/471477961.db2.gz OHZYZRNWSZNDCJ-GOSISDBHSA-N 2 0 346.475 2.343 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000669403188 471480129 /nfs/dbraw/zinc/48/01/29/471480129.db2.gz ODHSIRBVSYHHJS-ROUUACIJSA-N 2 0 326.444 2.233 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000655785667 471481818 /nfs/dbraw/zinc/48/18/18/471481818.db2.gz MUZBZTGNRGPQHX-WTGUMLROSA-N 2 0 332.488 2.274 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[NH+]2CCCC2)o1 ZINC000653115725 471496813 /nfs/dbraw/zinc/49/68/13/471496813.db2.gz YNRZRGSBMKOVIB-IKGGRYGDSA-N 2 0 331.460 2.372 10 0 EEAERP CC[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000669515816 471531237 /nfs/dbraw/zinc/53/12/37/471531237.db2.gz DEXDURZATURNRD-QFBILLFUSA-N 2 0 329.488 2.428 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000660959843 471566918 /nfs/dbraw/zinc/56/69/18/471566918.db2.gz RECFKEHODXCZSL-BZSNNMDCSA-N 2 0 330.476 2.215 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000659443339 471631622 /nfs/dbraw/zinc/63/16/22/471631622.db2.gz ZUHOONMDYKAHRF-KBAYOESNSA-N 2 0 332.492 2.495 10 0 EEAERP CCN(C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664126060 471646884 /nfs/dbraw/zinc/64/68/84/471646884.db2.gz KAFYKLLMCPMPCU-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000659482706 471650542 /nfs/dbraw/zinc/65/05/42/471650542.db2.gz PUNGMXQWTXWQQT-KBAYOESNSA-N 2 0 332.492 2.180 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000667113795 471659052 /nfs/dbraw/zinc/65/90/52/471659052.db2.gz VKRKUVYRVOUHKW-CQSZACIVSA-N 2 0 344.434 2.244 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCCC1 ZINC000659516354 471663820 /nfs/dbraw/zinc/66/38/20/471663820.db2.gz GFBGVJWMIIRYOM-GUDVDZBRSA-N 2 0 344.503 2.339 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000659606833 471697840 /nfs/dbraw/zinc/69/78/40/471697840.db2.gz VWTGPJUNNUQHAB-LPHOPBHVSA-N 2 0 344.503 2.375 10 0 EEAERP C[C@@]12COC[C@]1(C)C[NH+](C/C=C\C[N@H+]1C[C@]3(C)COC[C@]3(C)C1)C2 ZINC000661492866 471777480 /nfs/dbraw/zinc/77/74/80/471777480.db2.gz RUOIRLGXXVJFPH-DQTQQJQMSA-N 2 0 334.504 2.259 10 0 EEAERP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690199 471853708 /nfs/dbraw/zinc/85/37/08/471853708.db2.gz OKHKAQLZJLWIHB-IAGOWNOFSA-N 2 0 348.466 2.190 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000667809217 471916049 /nfs/dbraw/zinc/91/60/49/471916049.db2.gz OBODVNDSOFTRQJ-SIWZUTFBSA-N 2 0 345.491 2.140 10 0 EEAERP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662264192 472049413 /nfs/dbraw/zinc/04/94/13/472049413.db2.gz SBGVUJBPPUYIBJ-DIGXMAGLSA-N 2 0 347.547 2.199 10 0 EEAERP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)nn1 ZINC000662283804 472056334 /nfs/dbraw/zinc/05/63/34/472056334.db2.gz VNLHQQKIXOJILK-HNNXBMFYSA-N 2 0 335.452 2.305 10 0 EEAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000662324357 472070957 /nfs/dbraw/zinc/07/09/57/472070957.db2.gz WHBAXMUDLVSRRZ-KRWDZBQOSA-N 2 0 337.439 2.197 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662696943 472211538 /nfs/dbraw/zinc/21/15/38/472211538.db2.gz ZWBQJJMVEOPUBF-DZGCQCFKSA-N 2 0 342.443 2.434 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662716568 472219701 /nfs/dbraw/zinc/21/97/01/472219701.db2.gz DTHVFXOAUWFHAJ-UHFFFAOYSA-N 2 0 345.487 2.308 10 0 EEAERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000662867769 472284065 /nfs/dbraw/zinc/28/40/65/472284065.db2.gz OXMFTTGPCJVHFF-NHCUHLMSSA-N 2 0 349.478 2.250 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000662973479 472314437 /nfs/dbraw/zinc/31/44/37/472314437.db2.gz QSPDCCCTOIVARS-QZTJIDSGSA-N 2 0 333.476 2.036 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000673862350 485559351 /nfs/dbraw/zinc/55/93/51/485559351.db2.gz ZBDOIMPKXRKTHV-KRWDZBQOSA-N 2 0 340.431 2.359 10 0 EEAERP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COc2ccccc2O1 ZINC000662248678 485595412 /nfs/dbraw/zinc/59/54/12/485595412.db2.gz ANKDRXMIUKSNJM-CVEARBPZSA-N 2 0 332.444 2.059 10 0 EEAERP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@]2(CCOC2)O1 ZINC000684428694 485880676 /nfs/dbraw/zinc/88/06/76/485880676.db2.gz CWYJNQSEHAGYCK-QUCCMNQESA-N 2 0 348.487 2.397 10 0 EEAERP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586476 486646100 /nfs/dbraw/zinc/64/61/00/486646100.db2.gz HJFAZQVUQVUTSE-SJLPKXTDSA-N 2 0 344.503 2.334 10 0 EEAERP CCn1cnnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000678588558 486646393 /nfs/dbraw/zinc/64/63/93/486646393.db2.gz QBPJGXINLIETFX-AEFFLSMTSA-N 2 0 327.476 2.341 10 0 EEAERP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCSC3)c2)C1 ZINC000131430591 534452148 /nfs/dbraw/zinc/45/21/48/534452148.db2.gz ZKFMEMILVCMOFX-ZWKOTPCHSA-N 2 0 347.528 2.369 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174120675 528965221 /nfs/dbraw/zinc/96/52/21/528965221.db2.gz DGBYASLJXDYQEY-LJQANCHMSA-N 2 0 331.504 2.398 10 0 EEAERP COC(=O)[C@H]1[C@@H](C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1(F)F ZINC000895467862 684612409 /nfs/dbraw/zinc/61/24/09/684612409.db2.gz OWBDPTLWFFNZOW-HUUCEWRRSA-N 2 0 332.435 2.341 10 0 EEAERP CC[NH+](CC)Cc1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000895670555 684681518 /nfs/dbraw/zinc/68/15/18/684681518.db2.gz MKPSZLAJBIPBFI-GOSISDBHSA-N 2 0 331.460 2.188 10 0 EEAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[NH2+]2 ZINC000925674185 684808039 /nfs/dbraw/zinc/80/80/39/684808039.db2.gz RMNRXDWKOOKBJU-AHDPXTMNSA-N 2 0 347.425 2.439 10 0 EEAERP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c(C)n1 ZINC001485588519 1191858580 /nfs/dbraw/zinc/85/85/80/1191858580.db2.gz ZNSCCUWDSXZMRY-GOSISDBHSA-N 2 0 346.519 2.365 10 0 EEAERP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]3C2)c(C)c1 ZINC001485614082 1191862680 /nfs/dbraw/zinc/86/26/80/1191862680.db2.gz GUZYTOYRTONQFV-OWZKRDHZSA-N 2 0 343.515 2.439 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001485678820 1191894800 /nfs/dbraw/zinc/89/48/00/1191894800.db2.gz BPLQIRWWCLEUNM-IHRRRGAJSA-N 2 0 335.414 2.298 10 0 EEAERP CC[C@@H](C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)OC ZINC001485683050 1191896262 /nfs/dbraw/zinc/89/62/62/1191896262.db2.gz FAYRYHLADWUUPR-ULQDDVLXSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001485684524 1191896489 /nfs/dbraw/zinc/89/64/89/1191896489.db2.gz DSJVYRJDDLYQCJ-CZIWCDLHSA-N 2 0 330.407 2.166 10 0 EEAERP Cc1cccc(C)c1OCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266358309 1176394176 /nfs/dbraw/zinc/39/41/76/1176394176.db2.gz PCPJIRNMAGJHON-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001266786736 1177427349 /nfs/dbraw/zinc/42/73/49/1177427349.db2.gz ONGHXXJRUZEEAT-MISYRCLQSA-N 2 0 343.515 2.398 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCOC(C)C)C1 ZINC001266825553 1177498634 /nfs/dbraw/zinc/49/86/34/1177498634.db2.gz GRYIITPEQFHRDK-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]CCCCCF)C12CC[NH+](CC1)C2 ZINC001266881504 1177696521 /nfs/dbraw/zinc/69/65/21/1177696521.db2.gz WVAXKKYWSIGGIR-MRXNPFEDSA-N 2 0 325.472 2.193 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001266940239 1177855568 /nfs/dbraw/zinc/85/55/68/1177855568.db2.gz YWJSFCCASCMSAE-DZGCQCFKSA-N 2 0 338.883 2.202 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)on1 ZINC001691319899 1177904743 /nfs/dbraw/zinc/90/47/43/1177904743.db2.gz ZMFLTPOFQJHORH-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001266960211 1177910773 /nfs/dbraw/zinc/91/07/73/1177910773.db2.gz FQYFSDILMILOLN-QGZVFWFLSA-N 2 0 347.503 2.343 10 0 EEAERP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691389418 1177990620 /nfs/dbraw/zinc/99/06/20/1177990620.db2.gz YIFXLXUPKRLBJY-QGZVFWFLSA-N 2 0 339.524 2.209 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001266995608 1178053481 /nfs/dbraw/zinc/05/34/81/1178053481.db2.gz VMADJEKUGCYJOY-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001267026630 1178115857 /nfs/dbraw/zinc/11/58/57/1178115857.db2.gz KZEHLPWYMGWKGO-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001267043885 1178140353 /nfs/dbraw/zinc/14/03/53/1178140353.db2.gz FBZBRAIJOYJAOW-RDJZCZTQSA-N 2 0 325.472 2.191 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001267080947 1178203777 /nfs/dbraw/zinc/20/37/77/1178203777.db2.gz GZHBLUXYWINCSN-HZPDHXFCSA-N 2 0 325.472 2.239 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267163215 1178365520 /nfs/dbraw/zinc/36/55/20/1178365520.db2.gz OGCQWEWIAHFTJR-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP CC(C)N(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccon1 ZINC001267257674 1178627785 /nfs/dbraw/zinc/62/77/85/1178627785.db2.gz PVKIYVGFKFSSIR-QGZVFWFLSA-N 2 0 336.480 2.264 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@H](OC)c2ccccc2)CC[N@@H+]1C ZINC001267374676 1178895470 /nfs/dbraw/zinc/89/54/70/1178895470.db2.gz JAQBQMOCZZTBCN-OTWHNJEPSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1ccc(F)c(F)c1)[NH+](C)C ZINC001267459582 1179048506 /nfs/dbraw/zinc/04/85/06/1179048506.db2.gz WVLJYSRVFVHHNZ-QGZVFWFLSA-N 2 0 341.446 2.142 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001267494874 1179174262 /nfs/dbraw/zinc/17/42/62/1179174262.db2.gz FNKRNGHNQORLHN-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481214837 1180290033 /nfs/dbraw/zinc/29/00/33/1180290033.db2.gz BEDOHOMQXNVIPG-CQSZACIVSA-N 2 0 327.831 2.121 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001481236816 1180384587 /nfs/dbraw/zinc/38/45/87/1180384587.db2.gz YATYJBWTMIMJKT-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCc1ccccc1F)C12CC[NH+](CC1)C2 ZINC001267970531 1180875782 /nfs/dbraw/zinc/87/57/82/1180875782.db2.gz SDZHBLREPOZXJE-QGZVFWFLSA-N 2 0 345.462 2.045 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481302376 1180962982 /nfs/dbraw/zinc/96/29/82/1180962982.db2.gz LOOCXJULLWOWBY-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC001481314673 1181009321 /nfs/dbraw/zinc/00/93/21/1181009321.db2.gz JWBJFXQDJYKJEZ-MRXNPFEDSA-N 2 0 329.488 2.380 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001481314798 1181010697 /nfs/dbraw/zinc/01/06/97/1181010697.db2.gz MCSKGOIRHIGNBU-NCRRVARUSA-N 2 0 345.487 2.098 10 0 EEAERP C[C@H](c1ccccc1)N1CCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001268030408 1181242262 /nfs/dbraw/zinc/24/22/62/1181242262.db2.gz QVZZECZJXLQVIS-IEBWSBKVSA-N 2 0 347.503 2.297 10 0 EEAERP CC(C)c1cccc(C[N@@H+]2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001481447997 1181374495 /nfs/dbraw/zinc/37/44/95/1181374495.db2.gz VIKCIJFMUWYNJQ-KRWDZBQOSA-N 2 0 346.519 2.485 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2ccc(C)nc2C)C1 ZINC001481502840 1181581369 /nfs/dbraw/zinc/58/13/69/1181581369.db2.gz AUUZLJBFCFNMHJ-SFHVURJKSA-N 2 0 346.519 2.321 10 0 EEAERP CCOCC[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001481515846 1181620302 /nfs/dbraw/zinc/62/03/02/1181620302.db2.gz FLZOOIPUDQLJEL-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481655953 1182141353 /nfs/dbraw/zinc/14/13/53/1182141353.db2.gz JBWVGQNRWGKGBQ-UHFFFAOYSA-N 2 0 342.487 2.448 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379378 1182404680 /nfs/dbraw/zinc/40/46/80/1182404680.db2.gz QYFWKSSPFQVBLF-RYUDHWBXSA-N 2 0 344.912 2.265 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1F ZINC001268400471 1182493077 /nfs/dbraw/zinc/49/30/77/1182493077.db2.gz XPKFUOJOMLKSAV-GOEBONIOSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001268404806 1182515050 /nfs/dbraw/zinc/51/50/50/1182515050.db2.gz WPUOSBOMGAQEGF-DLBZAZTESA-N 2 0 347.507 2.032 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001268413866 1182565997 /nfs/dbraw/zinc/56/59/97/1182565997.db2.gz IUWPUJNRSDCKAS-DNVCBOLYSA-N 2 0 331.504 2.500 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001481773869 1182685240 /nfs/dbraw/zinc/68/52/40/1182685240.db2.gz FBJZTCAZHZORRV-GJZGRUSLSA-N 2 0 331.451 2.296 10 0 EEAERP C[C@](C[NH2+]Cc1ccsc1)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481931346 1182979017 /nfs/dbraw/zinc/97/90/17/1182979017.db2.gz NFSDDFCQEKXMBN-PKOBYXMFSA-N 2 0 347.528 2.464 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC001481982648 1183078605 /nfs/dbraw/zinc/07/86/05/1183078605.db2.gz CLGSAFQXGWWFCE-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001481989357 1183094843 /nfs/dbraw/zinc/09/48/43/1183094843.db2.gz KCYSGSFKQPEVHV-WOJBJXKFSA-N 2 0 343.515 2.399 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)s1 ZINC001268523165 1183176478 /nfs/dbraw/zinc/17/64/78/1183176478.db2.gz PNTXLRJFFFNGRL-IBUXWKBASA-N 2 0 327.881 2.258 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001482068757 1183292752 /nfs/dbraw/zinc/29/27/52/1183292752.db2.gz ZJUFSSFPVDIWTA-LJQANCHMSA-N 2 0 331.504 2.458 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]Cc2ccccc2F)CC1 ZINC001268597652 1183492905 /nfs/dbraw/zinc/49/29/05/1183492905.db2.gz UFSFIUPNIGLKGH-PLNGDYQASA-N 2 0 333.451 2.320 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCc1cccc(F)c1 ZINC001482169775 1183496924 /nfs/dbraw/zinc/49/69/24/1183496924.db2.gz WCBFSFNGPZFISE-RDJZCZTQSA-N 2 0 335.467 2.052 10 0 EEAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268743895 1183660861 /nfs/dbraw/zinc/66/08/61/1183660861.db2.gz XCWDVHRBRYGFIJ-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001268792082 1183705858 /nfs/dbraw/zinc/70/58/58/1183705858.db2.gz VJNYHHUJKSZVCL-RTBURBONSA-N 2 0 347.503 2.031 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001268838454 1183754609 /nfs/dbraw/zinc/75/46/09/1183754609.db2.gz AWVHPVITMNSGJP-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP O=C(N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001269071223 1183938962 /nfs/dbraw/zinc/93/89/62/1183938962.db2.gz FCHNLEAZZDZVAV-OALUTQOASA-N 2 0 331.504 2.313 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1)[NH+](C)C ZINC001269588124 1184413916 /nfs/dbraw/zinc/41/39/16/1184413916.db2.gz LGIVMDXJNVGPNH-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCC1)[NH+](C)C ZINC001269588122 1184414061 /nfs/dbraw/zinc/41/40/61/1184414061.db2.gz LGIVMDXJNVGPNH-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2C)C1 ZINC001269786451 1184623896 /nfs/dbraw/zinc/62/38/96/1184623896.db2.gz VLKBFKAILUIEGS-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001269797855 1184626768 /nfs/dbraw/zinc/62/67/68/1184626768.db2.gz DFBZVYIGIZYYOG-QGZVFWFLSA-N 2 0 348.491 2.106 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329990 1185412101 /nfs/dbraw/zinc/41/21/01/1185412101.db2.gz GEWOTRSVMJMMAS-WGDYAQENSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCCF)C2CCCCC2)C1 ZINC001482409529 1185637577 /nfs/dbraw/zinc/63/75/77/1185637577.db2.gz NHRFYOIHEPIJGA-DOTOQJQBSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001482429547 1185688184 /nfs/dbraw/zinc/68/81/84/1185688184.db2.gz QYVDNIMOYPBCLG-QAPCUYQASA-N 2 0 335.467 2.434 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001482428318 1185689246 /nfs/dbraw/zinc/68/92/46/1185689246.db2.gz IFHZYSJPPULQEZ-DYVFJYSZSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001271109512 1185891506 /nfs/dbraw/zinc/89/15/06/1185891506.db2.gz LXERBIABFPLHNR-OAHLLOKOSA-N 2 0 329.435 2.122 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]Cc1nccs1 ZINC001482459930 1185922325 /nfs/dbraw/zinc/92/23/25/1185922325.db2.gz HAQIUAYWOQHOND-HNNXBMFYSA-N 2 0 336.505 2.100 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001482479881 1186055953 /nfs/dbraw/zinc/05/59/53/1186055953.db2.gz KXLCEYVBVTXGGH-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001271445552 1186231693 /nfs/dbraw/zinc/23/16/93/1186231693.db2.gz DMQQMKSPSUGYOE-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)co1 ZINC001271535510 1186296369 /nfs/dbraw/zinc/29/63/69/1186296369.db2.gz ZBZUDCZBUMNTLE-ZTFGCOKTSA-N 2 0 348.491 2.184 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N(CC[NH2+]CCC1CC1)Cc1ccccc1 ZINC001271811915 1186511178 /nfs/dbraw/zinc/51/11/78/1186511178.db2.gz AHLYCKUTOMZQID-LJQANCHMSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001271814364 1186513352 /nfs/dbraw/zinc/51/33/52/1186513352.db2.gz DQTQINWPADHMEM-MOPGFXCFSA-N 2 0 347.503 2.198 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCC[NH+]1C ZINC001271977964 1186747527 /nfs/dbraw/zinc/74/75/27/1186747527.db2.gz WHHWHVIALYAUQE-STQMWFEESA-N 2 0 336.307 2.055 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1F ZINC001482569820 1186904093 /nfs/dbraw/zinc/90/40/93/1186904093.db2.gz HEZUWRZHXRLBFE-GUYCJALGSA-N 2 0 339.430 2.147 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001691530669 1187138358 /nfs/dbraw/zinc/13/83/58/1187138358.db2.gz ZPZOZRIUGBXUFJ-SHTZXODSSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCc2ccccc2)C2CC2)C1 ZINC001485826161 1193467973 /nfs/dbraw/zinc/46/79/73/1193467973.db2.gz IYASVIKPKTWLER-PXNSSMCTSA-N 2 0 343.515 2.398 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001272770203 1193489835 /nfs/dbraw/zinc/48/98/35/1193489835.db2.gz OCNPFQHRWWPHHN-IYARVYRRSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482871543 1187791370 /nfs/dbraw/zinc/79/13/70/1187791370.db2.gz PEIKJPJQQJPDEO-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001670919040 1193526018 /nfs/dbraw/zinc/52/60/18/1193526018.db2.gz PVMHZDGIBGIBOW-QGZVFWFLSA-N 2 0 327.488 2.248 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)CCc1c[nH]cn1 ZINC001483017882 1188004908 /nfs/dbraw/zinc/00/49/08/1188004908.db2.gz RPGRHFYGGRAYRI-IHWYPQMZSA-N 2 0 330.407 2.252 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001272227229 1188433354 /nfs/dbraw/zinc/43/33/54/1188433354.db2.gz UPEMAAFUVNYFFJ-SJLPKXTDSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001272845205 1193574717 /nfs/dbraw/zinc/57/47/17/1193574717.db2.gz PVKSAQJPYPFCBM-QAPCUYQASA-N 2 0 334.508 2.269 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001483226965 1189497816 /nfs/dbraw/zinc/49/78/16/1189497816.db2.gz PGHNKHNVXVFUQH-YJBOKZPZSA-N 2 0 332.492 2.166 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409368905 1189588507 /nfs/dbraw/zinc/58/85/07/1189588507.db2.gz MKAKIFJMZWJKLQ-QWHCGFSZSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001485923036 1193641565 /nfs/dbraw/zinc/64/15/65/1193641565.db2.gz VSNOWPQPJRUHRD-CQSZACIVSA-N 2 0 340.537 2.366 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001485954911 1193648065 /nfs/dbraw/zinc/64/80/65/1193648065.db2.gz AUCMCTKLGFEIDS-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001485962152 1193660214 /nfs/dbraw/zinc/66/02/14/1193660214.db2.gz VQMJWXQRUXIBNJ-GOEBONIOSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1cnc(C)s1 ZINC001409675056 1190174119 /nfs/dbraw/zinc/17/41/19/1190174119.db2.gz AJRRYSFPAJCRPW-CZUORRHYSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cccc2cccnc21 ZINC001409682610 1190182751 /nfs/dbraw/zinc/18/27/51/1190182751.db2.gz MUFWHNIKVMXGIZ-MAUKXSAKSA-N 2 0 340.471 2.123 10 0 EEAERP Cc1cncn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001483248506 1190277161 /nfs/dbraw/zinc/27/71/61/1190277161.db2.gz DBVGQACKIOZIAX-ZDUSSCGKSA-N 2 0 334.851 2.448 10 0 EEAERP C[C@H](C[N@H+](C)CC[C@@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407554 1190453278 /nfs/dbraw/zinc/45/32/78/1190453278.db2.gz MNCSVNWXNPCFFM-CHWSQXEVSA-N 2 0 348.318 2.103 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccsc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483561459 1190550756 /nfs/dbraw/zinc/55/07/56/1190550756.db2.gz RPJXMRXSRHKPAE-IAGOWNOFSA-N 2 0 333.501 2.074 10 0 EEAERP O=C(N[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001483600742 1190580499 /nfs/dbraw/zinc/58/04/99/1190580499.db2.gz JVUISAYFQHHYON-ZFWWWQNUSA-N 2 0 341.446 2.002 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC001483618730 1190598016 /nfs/dbraw/zinc/59/80/16/1190598016.db2.gz PICGEWXNSYIIIX-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486122656 1193688247 /nfs/dbraw/zinc/68/82/47/1193688247.db2.gz SYMZLNJZTPEXMB-QAPCUYQASA-N 2 0 349.523 2.193 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001486139107 1193693326 /nfs/dbraw/zinc/69/33/26/1193693326.db2.gz ZBQDNWZVUZLTAX-IEBWSBKVSA-N 2 0 344.503 2.427 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001272547991 1190874829 /nfs/dbraw/zinc/87/48/29/1190874829.db2.gz ZUICLZWLCJYKBZ-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CC1(C)CC(C[NH2+]CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001272616752 1190932024 /nfs/dbraw/zinc/93/20/24/1190932024.db2.gz OXIGARCYDBWGJU-INIZCTEOSA-N 2 0 333.520 2.347 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483784403 1191026515 /nfs/dbraw/zinc/02/65/15/1191026515.db2.gz SMYBWHYFHKBJPD-MRXNPFEDSA-N 2 0 340.471 2.248 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845052 1191080331 /nfs/dbraw/zinc/08/03/31/1191080331.db2.gz FTFINJYCZZOARI-DOTOQJQBSA-N 2 0 325.472 2.001 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C2CCCC2)o1 ZINC001484006735 1191150129 /nfs/dbraw/zinc/15/01/29/1191150129.db2.gz LOIOPFVPZHHWCR-QGZVFWFLSA-N 2 0 348.491 2.089 10 0 EEAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCOCC2)C1)[NH+](CC)CC ZINC001484058115 1191180966 /nfs/dbraw/zinc/18/09/66/1191180966.db2.gz PKGQGKSQXPLECV-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CCCCC2)CCOCC1 ZINC001484190690 1191262432 /nfs/dbraw/zinc/26/24/32/1191262432.db2.gz ZMUDBPIEFXJVNI-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCOCC1 ZINC001484191398 1191262767 /nfs/dbraw/zinc/26/27/67/1191262767.db2.gz QTRJZEYQULHZHU-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CC1CC(C[N@@H+]2CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001484197551 1191269028 /nfs/dbraw/zinc/26/90/28/1191269028.db2.gz AIQHAKOGJAUXCX-YMAMQOFZSA-N 2 0 331.451 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001484379982 1191323648 /nfs/dbraw/zinc/32/36/48/1191323648.db2.gz FPJTZWQXZQBADF-RDJZCZTQSA-N 2 0 335.467 2.352 10 0 EEAERP C[C@@H](c1ccccc1F)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411703 1191339322 /nfs/dbraw/zinc/33/93/22/1191339322.db2.gz DBJHNNNZOCWOFP-HRCADAONSA-N 2 0 333.451 2.229 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCOCC(C)C ZINC001484466770 1191371625 /nfs/dbraw/zinc/37/16/25/1191371625.db2.gz WCJNYTPMHTVMFQ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)c1ccccc1 ZINC001484501800 1191385712 /nfs/dbraw/zinc/38/57/12/1191385712.db2.gz JRKUMVAINBUFAN-HKUYNNGSSA-N 2 0 347.503 2.033 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccn2)CCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484639265 1191454355 /nfs/dbraw/zinc/45/43/55/1191454355.db2.gz PVNILBONIHYYMJ-QZTJIDSGSA-N 2 0 342.487 2.227 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722908 1191484200 /nfs/dbraw/zinc/48/42/00/1191484200.db2.gz KLCKTGILRNKEGI-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CN(CCC[N@H+](C)CCc1ccccc1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001484766086 1191520478 /nfs/dbraw/zinc/52/04/78/1191520478.db2.gz DFKNBFBHTJSNLH-NRFANRHFSA-N 2 0 343.515 2.495 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001485041479 1191623038 /nfs/dbraw/zinc/62/30/38/1191623038.db2.gz OJAFYAKBJLURHQ-IBYDIOTISA-N 2 0 334.291 2.228 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC[C@@H](C)F)C2)CC1 ZINC001485106683 1191656503 /nfs/dbraw/zinc/65/65/03/1191656503.db2.gz OBPUTTVGXKTSOL-HPUBIQBYSA-N 2 0 327.488 2.339 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC[C@H](C)F)C2)CC1 ZINC001485106684 1191656553 /nfs/dbraw/zinc/65/65/53/1191656553.db2.gz OBPUTTVGXKTSOL-UQPPLGOBSA-N 2 0 327.488 2.339 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001485186890 1191684990 /nfs/dbraw/zinc/68/49/90/1191684990.db2.gz IEOCHPQCSYVGAB-CHWSQXEVSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]Cc1cccnc1 ZINC001485212517 1191695270 /nfs/dbraw/zinc/69/52/70/1191695270.db2.gz SVUWUHXKVYAEJK-JKSUJKDBSA-N 2 0 344.503 2.186 10 0 EEAERP Cc1cc(C)cc(OCC[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001485386088 1191774143 /nfs/dbraw/zinc/77/41/43/1191774143.db2.gz TYBKXHUMHSDQSN-QZTJIDSGSA-N 2 0 347.503 2.070 10 0 EEAERP C[C@H](O)C[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001485458440 1191797507 /nfs/dbraw/zinc/79/75/07/1191797507.db2.gz LPBGOHLXEORFGX-KRWDZBQOSA-N 2 0 339.524 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1ccccn1)CC2 ZINC001486153096 1193703478 /nfs/dbraw/zinc/70/34/78/1193703478.db2.gz BIXNIBLIRJAPHM-MJGOQNOKSA-N 2 0 330.476 2.035 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC001486246467 1193772983 /nfs/dbraw/zinc/77/29/83/1193772983.db2.gz LLAXJQKIWLBPDL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](C/C=C\Cl)CC2)CC1 ZINC001486490666 1194002552 /nfs/dbraw/zinc/00/25/52/1194002552.db2.gz YTHJNIZLGSZDAL-WTKPLQERSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)s1 ZINC001272985464 1194294228 /nfs/dbraw/zinc/29/42/28/1194294228.db2.gz MLTQPBLTCVIQHS-LBPRGKRZSA-N 2 0 338.521 2.086 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001273010152 1194317092 /nfs/dbraw/zinc/31/70/92/1194317092.db2.gz DUOYKWWQLKVQSE-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCc2ccsc2)C1 ZINC001409980803 1196131538 /nfs/dbraw/zinc/13/15/38/1196131538.db2.gz SNOBQRIHBUEGFJ-HNNXBMFYSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001410499284 1198052669 /nfs/dbraw/zinc/05/26/69/1198052669.db2.gz CVUBPZCTNYOIET-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001410501877 1198056954 /nfs/dbraw/zinc/05/69/54/1198056954.db2.gz HZTMHRCGWMGXLD-CRAIPNDOSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@](O)(C[C@H](O)C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208005 1198086331 /nfs/dbraw/zinc/08/63/31/1198086331.db2.gz MKHNUOVSCDPADN-PWRODBHTSA-N 2 0 346.515 2.400 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865451786 1198225424 /nfs/dbraw/zinc/22/54/24/1198225424.db2.gz ZUMCYTQSNAOVKG-UHFFFAOYSA-N 2 0 328.863 2.237 10 0 EEAERP COc1nccnc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773911 1198370096 /nfs/dbraw/zinc/37/00/96/1198370096.db2.gz BYKDYJXRIGQGSP-UHFFFAOYSA-N 2 0 326.444 2.238 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001410886687 1198537777 /nfs/dbraw/zinc/53/77/77/1198537777.db2.gz COYJHBCVXOWXDK-LESCRADOSA-N 2 0 325.472 2.332 10 0 EEAERP Cc1csc(CN2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)n1 ZINC001410930902 1198595867 /nfs/dbraw/zinc/59/58/67/1198595867.db2.gz QDPLGDRMJCGDBZ-HUUCEWRRSA-N 2 0 338.521 2.261 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C/C=C\c2ccccc2)C(C)(C)C1 ZINC001410980710 1198657320 /nfs/dbraw/zinc/65/73/20/1198657320.db2.gz JXSBUQBBUVAZMB-IBWPDUFMSA-N 2 0 329.488 2.478 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001411235218 1198946632 /nfs/dbraw/zinc/94/66/32/1198946632.db2.gz LZRLAODDKZQGQO-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000813338041 1198968779 /nfs/dbraw/zinc/96/87/79/1198968779.db2.gz XUOFCEKQXGAHKF-HNNXBMFYSA-N 2 0 326.481 2.056 10 0 EEAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000810177380 1199331498 /nfs/dbraw/zinc/33/14/98/1199331498.db2.gz QHDACLKMBYEOTG-MAUKXSAKSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810182503 1199337162 /nfs/dbraw/zinc/33/71/62/1199337162.db2.gz VCKGLRCXIYDCCV-FXAWDEMLSA-N 2 0 349.494 2.488 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000810651427 1199645191 /nfs/dbraw/zinc/64/51/91/1199645191.db2.gz MBLMNSWWGJYTEL-LPHOPBHVSA-N 2 0 339.499 2.389 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810711083 1199689780 /nfs/dbraw/zinc/68/97/80/1199689780.db2.gz ZRHROWFOXRSZAR-KBXCAEBGSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(F)c1F ZINC000870016281 1200408861 /nfs/dbraw/zinc/40/88/61/1200408861.db2.gz HLGZDHNEQIBIJT-ZIAGYGMSSA-N 2 0 339.430 2.085 10 0 EEAERP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2c1CCC2 ZINC000870016860 1200409699 /nfs/dbraw/zinc/40/96/99/1200409699.db2.gz DFEGFSYDOPCVMV-IAGOWNOFSA-N 2 0 343.515 2.295 10 0 EEAERP CC(C)c1ncsc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016888 1200409966 /nfs/dbraw/zinc/40/99/66/1200409966.db2.gz DXRVYQDIUSEQQB-ZIAGYGMSSA-N 2 0 338.521 2.078 10 0 EEAERP C[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000870018814 1200410698 /nfs/dbraw/zinc/41/06/98/1200410698.db2.gz HIOMWOHHYGAANV-FAJAVTLNSA-N 2 0 343.515 2.234 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000870881025 1200928733 /nfs/dbraw/zinc/92/87/33/1200928733.db2.gz YKMAMTKNRAYGNJ-HZMBPMFUSA-N 2 0 340.265 2.048 10 0 EEAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186378 1201759705 /nfs/dbraw/zinc/75/97/05/1201759705.db2.gz RKZIODUGLADZLV-FGTMMUONSA-N 2 0 346.475 2.076 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC001137200756 1202191802 /nfs/dbraw/zinc/19/18/02/1202191802.db2.gz PVDRLUIOYUFEQC-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000886587639 1202527873 /nfs/dbraw/zinc/52/78/73/1202527873.db2.gz CBPPLYIUOVUOQS-LZQZEXGQSA-N 2 0 346.471 2.075 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1 ZINC001274132842 1204394655 /nfs/dbraw/zinc/39/46/55/1204394655.db2.gz DZYPVHFDKUERCC-CWIOURORSA-N 2 0 337.414 2.211 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001274263024 1204980188 /nfs/dbraw/zinc/98/01/88/1204980188.db2.gz LVZNZISOTDHWMM-VHZQRCSFSA-N 2 0 337.414 2.382 10 0 EEAERP CC(C)(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001280680157 1205036677 /nfs/dbraw/zinc/03/66/77/1205036677.db2.gz GTKSADMDNWSMKL-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001274506404 1205060671 /nfs/dbraw/zinc/06/06/71/1205060671.db2.gz AGVMGVQTGZAWSC-XDXAGZTOSA-N 2 0 329.488 2.407 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccnc1C ZINC001274608686 1205095682 /nfs/dbraw/zinc/09/56/82/1205095682.db2.gz HCIVVVDROUDSCV-QWNKOJSDSA-N 2 0 330.476 2.026 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001275219698 1205283808 /nfs/dbraw/zinc/28/38/08/1205283808.db2.gz WUUHKIRIKUWUFQ-KRWDZBQOSA-N 2 0 345.487 2.097 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCCC1 ZINC001412275093 1205682450 /nfs/dbraw/zinc/68/24/50/1205682450.db2.gz GUJMYSHBGYBJKI-MSOLQXFVSA-N 2 0 329.488 2.322 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1 ZINC001276093863 1205778842 /nfs/dbraw/zinc/77/88/42/1205778842.db2.gz ZGXYQYZVJGBMJV-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925521202 1206122536 /nfs/dbraw/zinc/12/25/36/1206122536.db2.gz IYDKGQCWICWXPE-RTBURBONSA-N 2 0 329.488 2.347 10 0 EEAERP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925571296 1206130065 /nfs/dbraw/zinc/13/00/65/1206130065.db2.gz ZCZHNMKDDIUVRE-YZGWKJHDSA-N 2 0 332.488 2.493 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650139 1206139962 /nfs/dbraw/zinc/13/99/62/1206139962.db2.gz MSMUZJHLVZVVJY-RCCFBDPRSA-N 2 0 331.529 2.464 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)ccn1 ZINC000925655574 1206140737 /nfs/dbraw/zinc/14/07/37/1206140737.db2.gz WJJRYITZSSSLON-MJGOQNOKSA-N 2 0 333.476 2.317 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925658548 1206141078 /nfs/dbraw/zinc/14/10/78/1206141078.db2.gz PHBLZCKZKLEXCP-KNCCTNLNSA-N 2 0 338.442 2.482 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000925665864 1206141497 /nfs/dbraw/zinc/14/14/97/1206141497.db2.gz NAVDBUPTFSKDMS-BRWVUGGUSA-N 2 0 345.487 2.162 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 ZINC000925734108 1206147823 /nfs/dbraw/zinc/14/78/23/1206147823.db2.gz NJVQMATYKFGZRN-MPTYRVRUSA-N 2 0 336.501 2.487 10 0 EEAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925834861 1206158678 /nfs/dbraw/zinc/15/86/78/1206158678.db2.gz PBKDZQVBOSPRTK-YESZJQIVSA-N 2 0 336.501 2.000 10 0 EEAERP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854382 1206161313 /nfs/dbraw/zinc/16/13/13/1206161313.db2.gz RKMOKNIDDSEBQR-STQMWFEESA-N 2 0 349.500 2.358 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cn1 ZINC000925854333 1206161440 /nfs/dbraw/zinc/16/14/40/1206161440.db2.gz IVIBOSKQJANLCV-HOCLYGCPSA-N 2 0 335.423 2.193 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925858046 1206162162 /nfs/dbraw/zinc/16/21/62/1206162162.db2.gz RPMUVBKQDWIISL-RDJZCZTQSA-N 2 0 332.419 2.478 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOC1CCOCC1 ZINC000925878775 1206163486 /nfs/dbraw/zinc/16/34/86/1206163486.db2.gz ZMIROZLJFIQLPJ-HKUYNNGSSA-N 2 0 332.444 2.028 10 0 EEAERP CCOC(=O)N1CCC([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1 ZINC000925887101 1206163796 /nfs/dbraw/zinc/16/37/96/1206163796.db2.gz RMPHLUJYWRRNOE-IZAXUBKRSA-N 2 0 331.460 2.256 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000925887666 1206163814 /nfs/dbraw/zinc/16/38/14/1206163814.db2.gz JJKWJMGMJNUKCU-ZTNFWEORSA-N 2 0 348.454 2.372 10 0 EEAERP C[C@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC[C@@H]1C[NH3+] ZINC000926033521 1206184011 /nfs/dbraw/zinc/18/40/11/1206184011.db2.gz YNGFXUTUTMWWAV-JKSUJKDBSA-N 2 0 348.491 2.466 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccnc1 ZINC000926165160 1206200371 /nfs/dbraw/zinc/20/03/71/1206200371.db2.gz PHEQQOKERPEUKD-GOSISDBHSA-N 2 0 339.443 2.499 10 0 EEAERP CCn1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000926679069 1206236975 /nfs/dbraw/zinc/23/69/75/1206236975.db2.gz WLPFBFYVLHJLIG-AWEZNQCLSA-N 2 0 335.496 2.148 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)c1cccnc1 ZINC000928832011 1206425786 /nfs/dbraw/zinc/42/57/86/1206425786.db2.gz SKYDGJPYSZMMAD-KRWDZBQOSA-N 2 0 330.476 2.067 10 0 EEAERP CCN1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)OC1=O ZINC000690619520 1206555820 /nfs/dbraw/zinc/55/58/20/1206555820.db2.gz BVLPAYMOEOSIEH-NJAFHUGGSA-N 2 0 331.460 2.327 10 0 EEAERP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000931479891 1207392381 /nfs/dbraw/zinc/39/23/81/1207392381.db2.gz FVYKIKBZTZPLHO-HNNXBMFYSA-N 2 0 347.286 2.415 10 0 EEAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000717993934 1211685024 /nfs/dbraw/zinc/68/50/24/1211685024.db2.gz INIJVIOSCVEGNJ-HKUYNNGSSA-N 2 0 332.488 2.418 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCCCCF)C1 ZINC001276326735 1215732918 /nfs/dbraw/zinc/73/29/18/1215732918.db2.gz JSPXFLUKYLTRKI-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1 ZINC000900538553 1234457648 /nfs/dbraw/zinc/45/76/48/1234457648.db2.gz PTJGCHVEQKEUFL-PKOBYXMFSA-N 2 0 345.487 2.260 10 0 EEAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001413339907 1235640155 /nfs/dbraw/zinc/64/01/55/1235640155.db2.gz GJDUWEYVCSROLB-MOPGFXCFSA-N 2 0 347.478 2.433 10 0 EEAERP C[C@H](C(=O)NC[C@H]1CC[N@H+](C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001493240152 1249526974 /nfs/dbraw/zinc/52/69/74/1249526974.db2.gz IIRVRYBOFZOZGH-AJKQWTFCSA-N 2 0 327.900 2.442 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000903441827 1240483194 /nfs/dbraw/zinc/48/31/94/1240483194.db2.gz BRXCPTUXCZJCJL-JKSUJKDBSA-N 2 0 337.895 2.464 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1c(F)cccc1Cl)C2 ZINC000903492161 1240654978 /nfs/dbraw/zinc/65/49/78/1240654978.db2.gz KSYLVSGMXNYMAG-JKDFXYPNSA-N 2 0 340.826 2.234 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(OC(C)C)cc1)C2 ZINC000903492914 1240658121 /nfs/dbraw/zinc/65/81/21/1240658121.db2.gz LJSREFQILUNPTD-FCEWJHQRSA-N 2 0 332.444 2.186 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903495112 1240666615 /nfs/dbraw/zinc/66/66/15/1240666615.db2.gz VSSYNFIVDKKKKY-VXGBXAGGSA-N 2 0 327.375 2.143 10 0 EEAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000903913651 1242459042 /nfs/dbraw/zinc/45/90/42/1242459042.db2.gz QQJAPTLXDOQHRS-XVLXNVKGSA-N 2 0 327.472 2.250 10 0 EEAERP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977125 1242825055 /nfs/dbraw/zinc/82/50/55/1242825055.db2.gz JWWVPNWNSMSMAM-ZYHUDNBSSA-N 2 0 334.386 2.086 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001491062745 1258632033 /nfs/dbraw/zinc/63/20/33/1258632033.db2.gz KFOBWBORSJWKOH-VVLHAWIVSA-N 2 0 325.472 2.380 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001491172068 1258741836 /nfs/dbraw/zinc/74/18/36/1258741836.db2.gz AVHGRWWOWUGJHY-WZCIPHSXSA-N 2 0 348.318 2.475 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2cnc(C)o2)C1 ZINC001491296267 1258912277 /nfs/dbraw/zinc/91/22/77/1258912277.db2.gz MWAOKXJSRRJNAE-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)[NH2+]Cc2cncc(F)c2)ccc2c[nH+]cn21 ZINC001491504715 1259154862 /nfs/dbraw/zinc/15/48/62/1259154862.db2.gz RHFKNZQWOVPXKK-LBPRGKRZSA-N 2 0 341.390 2.085 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001491505677 1259156474 /nfs/dbraw/zinc/15/64/74/1259156474.db2.gz OSLUTGYWJAVOTO-UKRRQHHQSA-N 2 0 331.451 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001489237768 1290486674 /nfs/dbraw/zinc/48/66/74/1290486674.db2.gz BUAYHNRKINUSAB-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(F)cc1C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270673 1291094127 /nfs/dbraw/zinc/09/41/27/1291094127.db2.gz VMNJEKARSGYSCW-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP COc1cc(C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)ccc1C ZINC001490279677 1291106533 /nfs/dbraw/zinc/10/65/33/1291106533.db2.gz NEJZNLMTIYGTST-UHFFFAOYSA-N 2 0 333.476 2.038 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001490741602 1291655952 /nfs/dbraw/zinc/65/59/52/1291655952.db2.gz JOCDTKREMSWKBC-ZWKOTPCHSA-N 2 0 348.491 2.088 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1-c1noc(CC2([NH3+])CC2)n1 ZINC000854145509 1292647243 /nfs/dbraw/zinc/64/72/43/1292647243.db2.gz TWOWNVUKJCHHNF-UHFFFAOYSA-N 2 0 330.432 2.491 10 0 EEAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000862008354 1295649376 /nfs/dbraw/zinc/64/93/76/1295649376.db2.gz NSKPGRZKXQDKJC-SFHVURJKSA-N 2 0 341.499 2.499 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863230829 1296162248 /nfs/dbraw/zinc/16/22/48/1296162248.db2.gz REXRGCCHVXMJNE-HNNXBMFYSA-N 2 0 326.554 2.055 10 0 EEAERP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000863550134 1296328677 /nfs/dbraw/zinc/32/86/77/1296328677.db2.gz ZFEWVHWQYGXSJK-ATLSCFEFSA-N 2 0 335.492 2.460 10 0 EEAERP CO[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C1CCC1 ZINC001490928019 1299584112 /nfs/dbraw/zinc/58/41/12/1299584112.db2.gz IGKPQNSPEINXMN-ULQDDVLXSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355595 1302609358 /nfs/dbraw/zinc/60/93/58/1302609358.db2.gz KLZGAZOCKPJCNF-LSDHHAIUSA-N 2 0 344.459 2.154 10 0 EEAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001277542737 1303866858 /nfs/dbraw/zinc/86/68/58/1303866858.db2.gz XFSSLEZOSHMHLM-MSOLQXFVSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C2CC2)no1 ZINC001276404613 1315585275 /nfs/dbraw/zinc/58/52/75/1315585275.db2.gz JXWWOZJTQBIWNI-SFHVURJKSA-N 2 0 348.491 2.365 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841864097 1315626506 /nfs/dbraw/zinc/62/65/06/1315626506.db2.gz SCKYAHFWDYBURY-UHFFFAOYSA-N 2 0 332.492 2.107 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCF)C1)c1ccccc1 ZINC001278572298 1317260164 /nfs/dbraw/zinc/26/01/64/1317260164.db2.gz MZRMSODDRWMZFB-IEBWSBKVSA-N 2 0 335.467 2.477 10 0 EEAERP O=C(NCCC[N@@H+](CCCF)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001265177614 1322969357 /nfs/dbraw/zinc/96/93/57/1322969357.db2.gz YZTOYYQZTJHVTP-IAGOWNOFSA-N 2 0 325.472 2.334 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCCOC)CC[C@H]21 ZINC001265526167 1323205335 /nfs/dbraw/zinc/20/53/35/1323205335.db2.gz UDQUIUPWTVMYAH-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001265631980 1323281302 /nfs/dbraw/zinc/28/13/02/1323281302.db2.gz BEVSJXRNTJCMTM-CQSZACIVSA-N 2 0 337.430 2.499 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001265818840 1323398240 /nfs/dbraw/zinc/39/82/40/1323398240.db2.gz SVQGCZOGDYSVMK-WCQYABFASA-N 2 0 336.307 2.006 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001265818841 1323398685 /nfs/dbraw/zinc/39/86/85/1323398685.db2.gz SVQGCZOGDYSVMK-YPMHNXCESA-N 2 0 336.307 2.006 10 0 EEAERP C[C@H]1C[C@@H](C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001265902159 1323471286 /nfs/dbraw/zinc/47/12/86/1323471286.db2.gz JVYQOTDEMRJLOP-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001266031338 1323582359 /nfs/dbraw/zinc/58/23/59/1323582359.db2.gz APWQSORNQQCQIT-QPGLYAHGSA-N 2 0 329.488 2.480 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ocnc1C ZINC001266111861 1323678239 /nfs/dbraw/zinc/67/82/39/1323678239.db2.gz BNXKMBAOVXRYQJ-GJZGRUSLSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001266154562 1323724179 /nfs/dbraw/zinc/72/41/79/1323724179.db2.gz CDCUWMVANNHTBF-TZMCWYRMSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001266172766 1323741028 /nfs/dbraw/zinc/74/10/28/1323741028.db2.gz MYFDRJIXAGXWHL-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1conc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001266231602 1323810735 /nfs/dbraw/zinc/81/07/35/1323810735.db2.gz MAIGJJQEKPAOEZ-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279298136 1323867553 /nfs/dbraw/zinc/86/75/53/1323867553.db2.gz XFRXSNNBXBOMMU-AEFFLSMTSA-N 2 0 335.467 2.447 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001279722940 1323986503 /nfs/dbraw/zinc/98/65/03/1323986503.db2.gz PSVALESGRGHLMM-XJKSGUPXSA-N 2 0 339.430 2.231 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCCCF)C[C@H]32)CC1 ZINC001282886524 1325822705 /nfs/dbraw/zinc/82/27/05/1325822705.db2.gz BVOBDKYUWCXGPY-NNZMDNLPSA-N 2 0 339.499 2.152 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)s1 ZINC001283215631 1325958202 /nfs/dbraw/zinc/95/82/02/1325958202.db2.gz XPOUTZXYFBABIW-BLLLJJGKSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001283663945 1326190448 /nfs/dbraw/zinc/19/04/48/1326190448.db2.gz HZKUUFSFGWBYRC-KRWDZBQOSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)COCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001284602855 1326626374 /nfs/dbraw/zinc/62/63/74/1326626374.db2.gz FGVVRSXWVDXBSA-SJORKVTESA-N 2 0 341.540 2.264 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)s1 ZINC001491883708 1330288216 /nfs/dbraw/zinc/28/82/16/1330288216.db2.gz WMJHEVPGMXXLTD-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887455 1330289941 /nfs/dbraw/zinc/28/99/41/1330289941.db2.gz YHFDSHGSBSBMIG-ZWKOTPCHSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001491904296 1330298222 /nfs/dbraw/zinc/29/82/22/1330298222.db2.gz RHSWLTHXHNMEQR-IBGZPJMESA-N 2 0 329.488 2.353 10 0 EEAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCc1ccns1 ZINC001492067795 1330440354 /nfs/dbraw/zinc/44/03/54/1330440354.db2.gz OHIIUWHYFLYVIT-CQSZACIVSA-N 2 0 338.521 2.044 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001492129589 1330982706 /nfs/dbraw/zinc/98/27/06/1330982706.db2.gz QKLKZJNZNBLAPX-UKRRQHHQSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccon1)[NH+](C)C ZINC001492175821 1331053839 /nfs/dbraw/zinc/05/38/39/1331053839.db2.gz LYFGBOLXPYMEHL-SJORKVTESA-N 2 0 336.480 2.122 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CCCOC)CC2)[NH+](C)C ZINC001316672190 1331165004 /nfs/dbraw/zinc/16/50/04/1331165004.db2.gz ZQLJZTYXDHUGPC-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CCOCC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001316763276 1331815893 /nfs/dbraw/zinc/81/58/93/1331815893.db2.gz BZIWETXHWBYSPS-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001316752918 1331872883 /nfs/dbraw/zinc/87/28/83/1331872883.db2.gz YSNFWRPELODNTF-VLEWAXPGSA-N 2 0 345.531 2.465 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C[C@@H]1CC[C@@H](C)O1 ZINC001316903724 1331969080 /nfs/dbraw/zinc/96/90/80/1331969080.db2.gz LUDNCDHKHYPBOC-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001316908370 1331974716 /nfs/dbraw/zinc/97/47/16/1331974716.db2.gz BDSVXJVESPPDLG-OAHLLOKOSA-N 2 0 338.883 2.015 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317374479 1332201995 /nfs/dbraw/zinc/20/19/95/1332201995.db2.gz DNCHUWTXXARHJN-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001317433549 1332237291 /nfs/dbraw/zinc/23/72/91/1332237291.db2.gz FSOUGUHGVOVCNR-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317437792 1332241801 /nfs/dbraw/zinc/24/18/01/1332241801.db2.gz XKYVYKYLOHVZEA-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1 ZINC001317592185 1332313979 /nfs/dbraw/zinc/31/39/79/1332313979.db2.gz AZFFQTKRBKRYOZ-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c(C)s1 ZINC001317598139 1332317752 /nfs/dbraw/zinc/31/77/52/1332317752.db2.gz NBABBEPOGFWVIB-HUUCEWRRSA-N 2 0 332.473 2.440 10 0 EEAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001317598311 1332318379 /nfs/dbraw/zinc/31/83/79/1332318379.db2.gz GVWZNNUMESJKLV-STQMWFEESA-N 2 0 334.291 2.370 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC001317694023 1332376800 /nfs/dbraw/zinc/37/68/00/1332376800.db2.gz AZZAHCVPHIWOCO-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001318567888 1332561902 /nfs/dbraw/zinc/56/19/02/1332561902.db2.gz JBZKDTUDQZDNSG-CQSZACIVSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](O)CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001318996151 1332634185 /nfs/dbraw/zinc/63/41/85/1332634185.db2.gz OEZDRHXLRBUPAN-APWZRJJASA-N 2 0 347.503 2.038 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001319145158 1332656939 /nfs/dbraw/zinc/65/69/39/1332656939.db2.gz OPPWSQCLFVEKML-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461789 1332705987 /nfs/dbraw/zinc/70/59/87/1332705987.db2.gz VNFPNHPUEGCOPW-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)o1 ZINC001320111765 1332829213 /nfs/dbraw/zinc/82/92/13/1332829213.db2.gz QKZBEIUYNCHWGX-SJLPKXTDSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464114 1332890043 /nfs/dbraw/zinc/89/00/43/1332890043.db2.gz LZJNPSKBXQILNG-XJKSGUPXSA-N 2 0 339.430 2.434 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001321210495 1333045350 /nfs/dbraw/zinc/04/53/50/1333045350.db2.gz JFFNZMAWXLASRS-ONEGZZNKSA-N 2 0 340.471 2.272 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001321220994 1333047695 /nfs/dbraw/zinc/04/76/95/1333047695.db2.gz FEOKSUFQLNDJSJ-HSWBROFVSA-N 2 0 329.435 2.026 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322373591 1333255704 /nfs/dbraw/zinc/25/57/04/1333255704.db2.gz YNVARAHIJRHQNJ-RBUKOAKNSA-N 2 0 347.503 2.273 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001322565521 1333284140 /nfs/dbraw/zinc/28/41/40/1333284140.db2.gz FUKMGYZTAPOCTB-GFCCVEGCSA-N 2 0 332.901 2.075 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001324081697 1333604185 /nfs/dbraw/zinc/60/41/85/1333604185.db2.gz PFLYWPKXLVOIAO-KGLIPLIRSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001326223269 1334046880 /nfs/dbraw/zinc/04/68/80/1334046880.db2.gz HHLDRBARRYVHCI-RBUKOAKNSA-N 2 0 329.488 2.417 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001326333095 1334070157 /nfs/dbraw/zinc/07/01/57/1334070157.db2.gz OHKFXMOXASPUPZ-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326366193 1334077149 /nfs/dbraw/zinc/07/71/49/1334077149.db2.gz ZRXFKVVCYDLSNH-SJLPKXTDSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326410789 1334087387 /nfs/dbraw/zinc/08/73/87/1334087387.db2.gz CRTFGORESLGIMO-ROUUACIJSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001326429360 1334092599 /nfs/dbraw/zinc/09/25/99/1334092599.db2.gz CWRLWMYHCPZUMZ-SFHVURJKSA-N 2 0 329.488 2.419 10 0 EEAERP COCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001326540677 1334112360 /nfs/dbraw/zinc/11/23/60/1334112360.db2.gz IBTANCSSNSKYSL-BZSNNMDCSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](C[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1)OC ZINC001326603607 1334123189 /nfs/dbraw/zinc/12/31/89/1334123189.db2.gz MAEOJWWMZHFBLY-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327158382 1334236971 /nfs/dbraw/zinc/23/69/71/1334236971.db2.gz ZTOZDBHBHZYZSS-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001327945724 1334368541 /nfs/dbraw/zinc/36/85/41/1334368541.db2.gz XDUFAAWQWDMRDI-MJGOQNOKSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001331614390 1335045845 /nfs/dbraw/zinc/04/58/45/1335045845.db2.gz XACMXACFPKQSLH-CZUORRHYSA-N 2 0 340.899 2.258 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001331920431 1335675725 /nfs/dbraw/zinc/67/57/25/1335675725.db2.gz YHRZGQPFMSNYOA-CRAIPNDOSA-N 2 0 335.467 2.343 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001332217174 1335769365 /nfs/dbraw/zinc/76/93/65/1335769365.db2.gz GXCAIRQAPLWQHM-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001332838508 1335916772 /nfs/dbraw/zinc/91/67/72/1335916772.db2.gz QYMKVFQOTAHWJH-HZPDHXFCSA-N 2 0 327.513 2.016 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333020852 1335948780 /nfs/dbraw/zinc/94/87/80/1335948780.db2.gz JJTSFCKBNGDUJB-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(C[NH2+]CCCF)cc2F)C1 ZINC001333480623 1336057014 /nfs/dbraw/zinc/05/70/14/1336057014.db2.gz VJRHEKUDRBLGBL-HNNXBMFYSA-N 2 0 339.430 2.233 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001479909909 1337554964 /nfs/dbraw/zinc/55/49/64/1337554964.db2.gz XRCZVGADNPXZNR-INIZCTEOSA-N 2 0 329.444 2.465 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cccc(F)c1F ZINC001480514991 1338278336 /nfs/dbraw/zinc/27/83/36/1338278336.db2.gz BSDFFLRVYCOZSP-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP CC[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](C)[NH+](C)C ZINC001434631724 1341891812 /nfs/dbraw/zinc/89/18/12/1341891812.db2.gz JYUZXUDLMQJIAR-HZMVEIRTSA-N 2 0 348.539 2.415 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001434824694 1341953037 /nfs/dbraw/zinc/95/30/37/1341953037.db2.gz SNXYESOYHOBDCJ-RBUKOAKNSA-N 2 0 344.503 2.435 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001436400324 1342074482 /nfs/dbraw/zinc/07/44/82/1342074482.db2.gz COIWCUANCAZRMW-RZDIXWSQSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H]([NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001501480227 1342190101 /nfs/dbraw/zinc/19/01/01/1342190101.db2.gz ILZRLYIIECCTCP-QGZVFWFLSA-N 2 0 347.503 2.033 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H](Cc2ccccc2)[NH2+]CC2CC2)C1 ZINC001507387929 1342318974 /nfs/dbraw/zinc/31/89/74/1342318974.db2.gz FRCIIEXDBIQQCD-RBUKOAKNSA-N 2 0 329.488 2.055 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001673380989 1356680344 /nfs/dbraw/zinc/68/03/44/1356680344.db2.gz PSICNNMNKKXTIA-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CCCCCF)C2)CC1 ZINC001566630811 1342586243 /nfs/dbraw/zinc/58/62/43/1342586243.db2.gz YXAPCFHIJJHQDY-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001566928511 1342653776 /nfs/dbraw/zinc/65/37/76/1342653776.db2.gz JHIYFFWZZYGCIC-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567098351 1342693782 /nfs/dbraw/zinc/69/37/82/1342693782.db2.gz JWONZBYIOYTBRW-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001567504328 1342773757 /nfs/dbraw/zinc/77/37/57/1342773757.db2.gz GNUHTMNJVIVXAC-QGZVFWFLSA-N 2 0 349.523 2.061 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001567504775 1342774346 /nfs/dbraw/zinc/77/43/46/1342774346.db2.gz WKBHNNMGMSOIDK-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018235 1357089736 /nfs/dbraw/zinc/08/97/36/1357089736.db2.gz IUGOWVLBBJSMLH-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569479000 1342882664 /nfs/dbraw/zinc/88/26/64/1342882664.db2.gz PKZLNRLJPDWFHX-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP COCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001570349631 1343059107 /nfs/dbraw/zinc/05/91/07/1343059107.db2.gz RPKYFRLGYAWRDW-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(OCC[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001570379354 1343062816 /nfs/dbraw/zinc/06/28/16/1343062816.db2.gz LEZCJAIUUKTLGI-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001676375269 1357142802 /nfs/dbraw/zinc/14/28/02/1357142802.db2.gz GUGAWNVFYJPJQU-GFCCVEGCSA-N 2 0 341.415 2.189 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001676461839 1357153341 /nfs/dbraw/zinc/15/33/41/1357153341.db2.gz RQVXVZCYQRJZJF-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP CC[C@H](C[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1)OC ZINC001677575232 1357360046 /nfs/dbraw/zinc/36/00/46/1357360046.db2.gz UQDFKXRWYNDAAR-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](CCC(F)(F)F)CC1 ZINC001677624001 1357376074 /nfs/dbraw/zinc/37/60/74/1357376074.db2.gz JJPCSJBQEHMTHX-UHFFFAOYSA-N 2 0 335.414 2.419 10 0 EEAERP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001646965701 1353078660 /nfs/dbraw/zinc/07/86/60/1353078660.db2.gz JUBZBDVKQVGHBP-UHFFFAOYSA-N 2 0 347.507 2.280 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001649443538 1353508506 /nfs/dbraw/zinc/50/85/06/1353508506.db2.gz DVFWPDXXZBTVBF-GHTZIAJQSA-N 2 0 343.515 2.364 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCOCC1 ZINC001649470314 1353523369 /nfs/dbraw/zinc/52/33/69/1353523369.db2.gz ISOMUCHZDYPLGL-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP CCN1CCO[C@@H](C(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001650612136 1354022334 /nfs/dbraw/zinc/02/23/34/1354022334.db2.gz QKHGOTVWJCMHSM-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001656908014 1354297818 /nfs/dbraw/zinc/29/78/18/1354297818.db2.gz AGVAVRXOGUQGFF-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCCC1CCOCC1 ZINC001656994324 1354308558 /nfs/dbraw/zinc/30/85/58/1354308558.db2.gz JOUCCLOWDYSMKM-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cccnc1C ZINC001660536050 1354483842 /nfs/dbraw/zinc/48/38/42/1354483842.db2.gz CNUCCFDAIUSBPM-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1c(C)noc1C ZINC001660553471 1354488242 /nfs/dbraw/zinc/48/82/42/1354488242.db2.gz LHNRXEHSAUXOJK-UHFFFAOYSA-N 2 0 348.491 2.248 10 0 EEAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC(C)C)[NH+](C)C ZINC001661530042 1354650472 /nfs/dbraw/zinc/65/04/72/1354650472.db2.gz IPATWGHBJLZCRT-HQSKLWIPSA-N 2 0 339.524 2.253 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685609 1354825836 /nfs/dbraw/zinc/82/58/36/1354825836.db2.gz MNBQUOFZLQJSIK-FUHWJXTLSA-N 2 0 349.544 2.461 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001662772421 1354842969 /nfs/dbraw/zinc/84/29/69/1354842969.db2.gz GPZQZYQMFBLTJJ-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[N@H+](C)C1CCC1 ZINC001663985604 1355067730 /nfs/dbraw/zinc/06/77/30/1355067730.db2.gz CMYGURQEMCTOOR-UHFFFAOYSA-N 2 0 329.488 2.208 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001664467453 1355171476 /nfs/dbraw/zinc/17/14/76/1355171476.db2.gz LSFLIBXPNDHUEM-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CCCF ZINC001666605745 1355552555 /nfs/dbraw/zinc/55/25/55/1355552555.db2.gz NKYPMVBSVCJICI-DOTOQJQBSA-N 2 0 327.488 2.485 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/Cl)C12CCC[NH+]1CCC2 ZINC001667734716 1355802001 /nfs/dbraw/zinc/80/20/01/1355802001.db2.gz QRHGLMWPFCISNG-RDCWBDQOSA-N 2 0 325.884 2.242 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667998575 1355844306 /nfs/dbraw/zinc/84/43/06/1355844306.db2.gz CUKYVIMSTCZSTR-WBMJQRKESA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668059227 1355857942 /nfs/dbraw/zinc/85/79/42/1355857942.db2.gz CEHKSKYTOQRCMQ-HZPDHXFCSA-N 2 0 348.491 2.314 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310035 1355920778 /nfs/dbraw/zinc/92/07/78/1355920778.db2.gz PQZPXTRERIHFJB-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310645 1355921607 /nfs/dbraw/zinc/92/16/07/1355921607.db2.gz WWGXDORYFRHZNM-UKRRQHHQSA-N 2 0 336.480 2.043 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)C1CC[NH+](C)CC1 ZINC001668542521 1355959799 /nfs/dbraw/zinc/95/97/99/1355959799.db2.gz QIILDSPSGSZCAX-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C(C)C)nc1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668640525 1355977645 /nfs/dbraw/zinc/97/76/45/1355977645.db2.gz CTGTWBNOBCLVOI-SFHVURJKSA-N 2 0 346.519 2.403 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833442 1356016061 /nfs/dbraw/zinc/01/60/61/1356016061.db2.gz HZEKNBPDGANOMZ-CHABLROBSA-N 2 0 333.451 2.236 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668884229 1356034780 /nfs/dbraw/zinc/03/47/80/1356034780.db2.gz YUNKCUVROBCOGJ-CJEFGCBOSA-N 2 0 346.475 2.070 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001669002286 1356065254 /nfs/dbraw/zinc/06/52/54/1356065254.db2.gz WZYAFPHCADYFPY-XGACYXMMSA-N 2 0 329.435 2.026 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001669201131 1356123387 /nfs/dbraw/zinc/12/33/87/1356123387.db2.gz MNVWTJMQARIGTL-QCUYKYDPSA-N 2 0 329.488 2.364 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]CC[C@@H]2CCCO2)ccc2c[nH+]cn21 ZINC001670157571 1356287256 /nfs/dbraw/zinc/28/72/56/1356287256.db2.gz AOBAZVAJIXYABZ-KRWDZBQOSA-N 2 0 344.459 2.264 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001672859820 1356601047 /nfs/dbraw/zinc/60/10/47/1356601047.db2.gz WTZQLARTVOKZGR-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001672978938 1356625444 /nfs/dbraw/zinc/62/54/44/1356625444.db2.gz PHPWNQQVKBNTQC-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001674491150 1356845278 /nfs/dbraw/zinc/84/52/78/1356845278.db2.gz LPURNAHEFGATBV-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001675538424 1357002791 /nfs/dbraw/zinc/00/27/91/1357002791.db2.gz GNWMWGNTRDKURR-OCAAPLCJSA-N 2 0 333.520 2.367 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966278 1357079113 /nfs/dbraw/zinc/07/91/13/1357079113.db2.gz NICLGYXYPCNKHS-ZBFHGGJFSA-N 2 0 347.507 2.062 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001699102546 1405255327 /nfs/dbraw/zinc/25/53/27/1405255327.db2.gz NNZFDAFWLUXXMX-YXJHDRRASA-N 2 0 347.503 2.328 10 0 EEAERP C[C@@H](C[NH2+]CCCCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699403665 1405348796 /nfs/dbraw/zinc/34/87/96/1405348796.db2.gz HREXQWPGINRLMR-PXNSSMCTSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001699552216 1405389491 /nfs/dbraw/zinc/38/94/91/1405389491.db2.gz XFPLLHGBFWBCOG-CALCHBBNSA-N 2 0 332.492 2.201 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699575314 1405401024 /nfs/dbraw/zinc/40/10/24/1405401024.db2.gz CVAPVFAGVUMSHA-WBVHZDCISA-N 2 0 325.472 2.095 10 0 EEAERP CCOCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001699702208 1405455717 /nfs/dbraw/zinc/45/57/17/1405455717.db2.gz SVGRCTWZVPEJCV-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001699758262 1405468406 /nfs/dbraw/zinc/46/84/06/1405468406.db2.gz MMFWWQLGXDTWHG-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)cn2)CC1 ZINC000818961388 785329852 /nfs/dbraw/zinc/32/98/52/785329852.db2.gz QAGXPOJOVPPPII-LJQANCHMSA-N 2 0 340.471 2.047 10 0 EEAERP C[NH+](C)C1CC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000819679960 785642090 /nfs/dbraw/zinc/64/20/90/785642090.db2.gz IYXHISWUXZQYSU-FAEJEUNOSA-N 2 0 333.451 2.247 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)[C@H](c2ccccc2)C1 ZINC000911548377 787521912 /nfs/dbraw/zinc/52/19/12/787521912.db2.gz GJFVVOILIZJLDM-FUMNGEBKSA-N 2 0 341.499 2.465 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCOC1CCOCC1 ZINC000922931161 788349650 /nfs/dbraw/zinc/34/96/50/788349650.db2.gz OPVKWZCVVHKJAP-UHFFFAOYSA-N 2 0 348.487 2.446 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711249042 788561415 /nfs/dbraw/zinc/56/14/15/788561415.db2.gz KEECKTQAPOHNPQ-NJAFHUGGSA-N 2 0 329.488 2.401 10 0 EEAERP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301769 789336629 /nfs/dbraw/zinc/33/66/29/789336629.db2.gz XJRXOZSUNUMMOM-ZDUSSCGKSA-N 2 0 330.350 2.396 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000923309205 789365277 /nfs/dbraw/zinc/36/52/77/789365277.db2.gz MXBDQVRUCVCQPB-UHFFFAOYSA-N 2 0 329.488 2.465 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000923363965 789439851 /nfs/dbraw/zinc/43/98/51/789439851.db2.gz GVEOMEONGNPUMR-QKLQHJQFSA-N 2 0 348.487 2.289 10 0 EEAERP Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000923364929 789441684 /nfs/dbraw/zinc/44/16/84/789441684.db2.gz DFGCYHOBINFLAL-ICSRJNTNSA-N 2 0 332.488 2.427 10 0 EEAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000923413541 789520789 /nfs/dbraw/zinc/52/07/89/789520789.db2.gz FWLFZNQHLCWUNR-QRVBRYPASA-N 2 0 332.488 2.425 10 0 EEAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447971 789560733 /nfs/dbraw/zinc/56/07/33/789560733.db2.gz YVBIIKYDDXEFOW-RYRKJORJSA-N 2 0 345.487 2.082 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1nc(-c3ccc(F)cc3)no1)CC2 ZINC000923453616 789587343 /nfs/dbraw/zinc/58/73/43/789587343.db2.gz BNIUEQKFLDZHAC-HNNXBMFYSA-N 2 0 346.406 2.206 10 0 EEAERP CC(=O)c1ccccc1OCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454256 789587986 /nfs/dbraw/zinc/58/79/86/789587986.db2.gz GECMOLRYHPKKNU-INIZCTEOSA-N 2 0 332.444 2.098 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923502951 789668288 /nfs/dbraw/zinc/66/82/88/789668288.db2.gz FIYABTUBYIUTAN-OLZOCXBDSA-N 2 0 341.858 2.354 10 0 EEAERP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787012073 806963130 /nfs/dbraw/zinc/96/31/30/806963130.db2.gz ZGHFVWCLGOAJHZ-DJJJIMSYSA-N 2 0 332.444 2.301 10 0 EEAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001565973657 1125479111 /nfs/dbraw/zinc/47/91/11/1125479111.db2.gz BROAMWLJEAUWRM-AEFFLSMTSA-N 2 0 349.523 2.075 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001436725625 1088192307 /nfs/dbraw/zinc/19/23/07/1088192307.db2.gz KGSCABYXNQCBGJ-OALUTQOASA-N 2 0 344.503 2.263 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001436794787 1088363407 /nfs/dbraw/zinc/36/34/07/1088363407.db2.gz YQBIYWCEAPBXQM-HZPDHXFCSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1Cl)C1CC1 ZINC001436821104 1088416524 /nfs/dbraw/zinc/41/65/24/1088416524.db2.gz OFNNJCZRSSJGTQ-OAHLLOKOSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001436952271 1088639983 /nfs/dbraw/zinc/63/99/83/1088639983.db2.gz GEEDENDAZVHWOO-BNOWGMLFSA-N 2 0 327.469 2.408 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001436979271 1088679696 /nfs/dbraw/zinc/67/96/96/1088679696.db2.gz RHAATCPVJZBBQA-IYBDPMFKSA-N 2 0 348.491 2.411 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001437027551 1088828897 /nfs/dbraw/zinc/82/88/97/1088828897.db2.gz CIJMKGNESQBGTD-MRXNPFEDSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001437235345 1089335763 /nfs/dbraw/zinc/33/57/63/1089335763.db2.gz KGBONYHICKRUQU-GOEBONIOSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1F ZINC001437238390 1089343269 /nfs/dbraw/zinc/34/32/69/1089343269.db2.gz AQYGETCCNHKGAB-BEFAXECRSA-N 2 0 333.451 2.214 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001437256920 1089390032 /nfs/dbraw/zinc/39/00/32/1089390032.db2.gz BLDBGSXLGUHNLQ-GXTWGEPZSA-N 2 0 343.393 2.251 10 0 EEAERP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cncc(F)c1 ZINC001437405998 1089682046 /nfs/dbraw/zinc/68/20/46/1089682046.db2.gz ZEELNGMIMBFRJF-CQSZACIVSA-N 2 0 338.471 2.183 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC001437743686 1090307646 /nfs/dbraw/zinc/30/76/46/1090307646.db2.gz XHNMILWHCSYXBW-VQFGERMISA-N 2 0 329.488 2.478 10 0 EEAERP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001437745847 1090310528 /nfs/dbraw/zinc/31/05/28/1090310528.db2.gz VTISVPJBKRIXEB-SFHVURJKSA-N 2 0 329.488 2.337 10 0 EEAERP C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001437840474 1090425231 /nfs/dbraw/zinc/42/52/31/1090425231.db2.gz NMJVGUYCOZVRCN-KGLIPLIRSA-N 2 0 339.430 2.416 10 0 EEAERP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437845867 1090429370 /nfs/dbraw/zinc/42/93/70/1090429370.db2.gz BXEFLTVUBCQFST-CQSZACIVSA-N 2 0 348.491 2.220 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCOC(C)C)C1 ZINC001437986716 1090580263 /nfs/dbraw/zinc/58/02/63/1090580263.db2.gz HPXPKUJMHYAFKM-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)n1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)n1 ZINC001437993586 1090592324 /nfs/dbraw/zinc/59/23/24/1090592324.db2.gz SSZBQYKWLPLULC-QGZVFWFLSA-N 2 0 349.523 2.085 10 0 EEAERP COc1cccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001438429901 1090928689 /nfs/dbraw/zinc/92/86/89/1090928689.db2.gz WHPZBNPMPUHQFQ-OXQOHEQNSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)no1 ZINC001438434932 1090936373 /nfs/dbraw/zinc/93/63/73/1090936373.db2.gz ZQNLBYOVSGTJLQ-KDOFPFPSSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001438552519 1091045394 /nfs/dbraw/zinc/04/53/94/1091045394.db2.gz NTCWJVDSPJJWOE-AWEZNQCLSA-N 2 0 333.467 2.494 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)c1C ZINC001438712760 1091231530 /nfs/dbraw/zinc/23/15/30/1091231530.db2.gz KGUIWRKKIYNACJ-HNNXBMFYSA-N 2 0 335.492 2.280 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)sc1C ZINC001438770947 1091353299 /nfs/dbraw/zinc/35/32/99/1091353299.db2.gz KSLVNMFOKAQVSQ-DOMZBBRYSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001445659622 1091448183 /nfs/dbraw/zinc/44/81/83/1091448183.db2.gz UTVUBZNFKNZFEL-STQMWFEESA-N 2 0 327.419 2.460 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2ncccc2c1)NC(=O)C[NH+]1CCCC1 ZINC001445871183 1091795686 /nfs/dbraw/zinc/79/56/86/1091795686.db2.gz OQUJXAWJXNGIIB-INIZCTEOSA-N 2 0 340.471 2.267 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439247104 1091896987 /nfs/dbraw/zinc/89/69/87/1091896987.db2.gz YXMYRFGPBJHZFR-YXJHDRRASA-N 2 0 346.519 2.448 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001439282748 1091941085 /nfs/dbraw/zinc/94/10/85/1091941085.db2.gz MRERSCXFIYRKRP-STQMWFEESA-N 2 0 325.403 2.216 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439284269 1091942769 /nfs/dbraw/zinc/94/27/69/1091942769.db2.gz YZAREUIVHHJQJZ-YOEHRIQHSA-N 2 0 332.492 2.059 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439323526 1091997985 /nfs/dbraw/zinc/99/79/85/1091997985.db2.gz FJMPHYGXKYROTH-JXXFODFXSA-N 2 0 343.515 2.452 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001446087887 1092110416 /nfs/dbraw/zinc/11/04/16/1092110416.db2.gz VTCOIKFQMKMBDL-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001439373608 1092111184 /nfs/dbraw/zinc/11/11/84/1092111184.db2.gz USOIFNLVZKIGIE-RYRKJORJSA-N 2 0 347.503 2.362 10 0 EEAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001446091930 1092117051 /nfs/dbraw/zinc/11/70/51/1092117051.db2.gz GELVRQPBMCNMIC-CRAIPNDOSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439397478 1092149296 /nfs/dbraw/zinc/14/92/96/1092149296.db2.gz HLPIFHSQKYKHHS-ZFWWWQNUSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1F ZINC001439473032 1092265481 /nfs/dbraw/zinc/26/54/81/1092265481.db2.gz AXDDFYCTRDWTST-AUUYWEPGSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1)[NH+](C)C ZINC001446206654 1092289261 /nfs/dbraw/zinc/28/92/61/1092289261.db2.gz MNKBWFOXVKFSBH-DLBZAZTESA-N 2 0 333.451 2.392 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC001446268911 1092416216 /nfs/dbraw/zinc/41/62/16/1092416216.db2.gz VBPIKIONMLSVIX-WMLDXEAASA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001439639770 1092564314 /nfs/dbraw/zinc/56/43/14/1092564314.db2.gz NVVRJAYXAUPBSF-QGZVFWFLSA-N 2 0 333.451 2.393 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001439783210 1092739232 /nfs/dbraw/zinc/73/92/32/1092739232.db2.gz KMPJNYVRAIIUIL-IRXDYDNUSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001439860533 1092891966 /nfs/dbraw/zinc/89/19/66/1092891966.db2.gz RCJFHORVTJOPQW-YLJYHZDGSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001439882176 1092931745 /nfs/dbraw/zinc/93/17/45/1092931745.db2.gz DIEJFNYGMYNROV-UYAOXDASSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001439943953 1093050563 /nfs/dbraw/zinc/05/05/63/1093050563.db2.gz NULMATXBDVAZRO-AEFFLSMTSA-N 2 0 327.488 2.439 10 0 EEAERP CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001439976561 1093096849 /nfs/dbraw/zinc/09/68/49/1093096849.db2.gz UQDJGRRENDGOEL-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001440135226 1093201708 /nfs/dbraw/zinc/20/17/08/1093201708.db2.gz KLKMJKKQZCYVJF-WBVHZDCISA-N 2 0 335.467 2.352 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)CC1(C)C)[NH+](C)C ZINC001448395762 1093393723 /nfs/dbraw/zinc/39/37/23/1093393723.db2.gz HDJHISNZOSXGBF-ZWKOTPCHSA-N 2 0 331.504 2.396 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]2C1 ZINC001448467757 1093478044 /nfs/dbraw/zinc/47/80/44/1093478044.db2.gz GDSPGINXHCBMIE-GKEIVGCASA-N 2 0 348.318 2.474 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3F)C2)CC1 ZINC001448508256 1093534046 /nfs/dbraw/zinc/53/40/46/1093534046.db2.gz FWAMNTCIXDIOAZ-KOMQPUFPSA-N 2 0 333.451 2.152 10 0 EEAERP CC(C)c1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440368950 1093535368 /nfs/dbraw/zinc/53/53/68/1093535368.db2.gz FDJJVPXLKUEKKH-GOSISDBHSA-N 2 0 347.503 2.079 10 0 EEAERP COCc1cccc(C[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001448543823 1093584215 /nfs/dbraw/zinc/58/42/15/1093584215.db2.gz GWDXQWDCIWLLQT-UHFFFAOYSA-N 2 0 347.503 2.208 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001440478127 1093705969 /nfs/dbraw/zinc/70/59/69/1093705969.db2.gz WJYKUJHSBQYHPQ-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCc1ccccc1 ZINC001440488814 1093725065 /nfs/dbraw/zinc/72/50/65/1093725065.db2.gz IDBSXMDVGCPVKQ-AEFFLSMTSA-N 2 0 329.488 2.292 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001448685666 1093750391 /nfs/dbraw/zinc/75/03/91/1093750391.db2.gz RDQRYLICAWCDQV-BBRMVZONSA-N 2 0 339.430 2.386 10 0 EEAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001440519250 1093771365 /nfs/dbraw/zinc/77/13/65/1093771365.db2.gz LYYWHVQIMJMZQF-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Cl ZINC001448722806 1093793957 /nfs/dbraw/zinc/79/39/57/1093793957.db2.gz UGONSTVHZASLPC-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001440537640 1093802791 /nfs/dbraw/zinc/80/27/91/1093802791.db2.gz KWIXRNJVCVUZFD-FQEVSTJZSA-N 2 0 329.488 2.453 10 0 EEAERP CCc1nocc1C[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001440539318 1093806505 /nfs/dbraw/zinc/80/65/05/1093806505.db2.gz PHILZYALQOOSNK-UHFFFAOYSA-N 2 0 348.491 2.194 10 0 EEAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2ccns2)CC1)[NH+](C)C ZINC001440859837 1094122285 /nfs/dbraw/zinc/12/22/85/1094122285.db2.gz JVRGRNKCEQRHSV-ZBCRRDGASA-N 2 0 338.521 2.343 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440881678 1094140287 /nfs/dbraw/zinc/14/02/87/1094140287.db2.gz HBNXVFUHYRBNOL-CQSZACIVSA-N 2 0 338.521 2.059 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001440986542 1094251177 /nfs/dbraw/zinc/25/11/77/1094251177.db2.gz KEGFKHZQDFFPAZ-RDJZCZTQSA-N 2 0 336.480 2.182 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001441034011 1094328801 /nfs/dbraw/zinc/32/88/01/1094328801.db2.gz KBBFDEXMFZQYSE-ZDUSSCGKSA-N 2 0 327.419 2.242 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001441106817 1094417283 /nfs/dbraw/zinc/41/72/83/1094417283.db2.gz OJMOYGHMJBHTPR-UHFFFAOYSA-N 2 0 336.505 2.148 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1conc1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441111096 1094425710 /nfs/dbraw/zinc/42/57/10/1094425710.db2.gz HUIVPJKFXFUJJF-MSOLQXFVSA-N 2 0 348.491 2.089 10 0 EEAERP COc1ccc(CC[NH+]2CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001441213056 1094576657 /nfs/dbraw/zinc/57/66/57/1094576657.db2.gz QNBLEEYYJJRHAN-MRXNPFEDSA-N 2 0 347.503 2.014 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001441252427 1094649085 /nfs/dbraw/zinc/64/90/85/1094649085.db2.gz GPKOWZVJONGUQU-SFHVURJKSA-N 2 0 333.451 2.214 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001441297724 1094736028 /nfs/dbraw/zinc/73/60/28/1094736028.db2.gz KNZHMHXBPINHEB-GOSISDBHSA-N 2 0 347.503 2.317 10 0 EEAERP C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001441312005 1094766257 /nfs/dbraw/zinc/76/62/57/1094766257.db2.gz VJXAKXNPFOHUFX-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC001441335200 1094807249 /nfs/dbraw/zinc/80/72/49/1094807249.db2.gz GHLJWJZZCNJKSQ-KZNAEPCWSA-N 2 0 339.499 2.439 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001441487178 1095163670 /nfs/dbraw/zinc/16/36/70/1095163670.db2.gz NPLFRKOHAVOSAE-KSZLIROESA-N 2 0 335.467 2.412 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001441510242 1095200518 /nfs/dbraw/zinc/20/05/18/1095200518.db2.gz ITQQODITYPGPGG-FRQCXROJSA-N 2 0 347.503 2.110 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)C1 ZINC001441530928 1095240438 /nfs/dbraw/zinc/24/04/38/1095240438.db2.gz VOWDDJDACXSPFY-OKILXGFUSA-N 2 0 348.422 2.046 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001441548187 1095274535 /nfs/dbraw/zinc/27/45/35/1095274535.db2.gz NYPQFQDBZFWEAV-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ns2)[C@H]1C ZINC001441824871 1095866275 /nfs/dbraw/zinc/86/62/75/1095866275.db2.gz NEBAWUMCHCAOLE-GDBMZVCRSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001441846588 1095926696 /nfs/dbraw/zinc/92/66/96/1095926696.db2.gz AMXAPYDHMSVBGL-MLGOLLRUSA-N 2 0 325.403 2.043 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCOC1CCC1)CC2 ZINC001441861935 1095964257 /nfs/dbraw/zinc/96/42/57/1095964257.db2.gz KFUSBYKVXFORRM-PKOBYXMFSA-N 2 0 337.508 2.009 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CCCCC2)n1 ZINC001441924417 1096107959 /nfs/dbraw/zinc/10/79/59/1096107959.db2.gz NKOBHJKRJLITAX-INIZCTEOSA-N 2 0 349.523 2.009 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001442203239 1096486949 /nfs/dbraw/zinc/48/69/49/1096486949.db2.gz YELUOANVUZHONV-NEPJUHHUSA-N 2 0 344.912 2.265 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2ccns2)CC1)[NH+](C)C ZINC001442210979 1096500158 /nfs/dbraw/zinc/50/01/58/1096500158.db2.gz STSSOQNQDYITKX-XJKSGUPXSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001442269761 1096575777 /nfs/dbraw/zinc/57/57/77/1096575777.db2.gz CGHLMHRQQIDJCD-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001442904968 1097309811 /nfs/dbraw/zinc/30/98/11/1097309811.db2.gz DGMWPPGGMZQXPZ-QGZVFWFLSA-N 2 0 349.906 2.416 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001442914216 1097322501 /nfs/dbraw/zinc/32/25/01/1097322501.db2.gz QIYIIPGKWDZIAA-HNAYVOBHSA-N 2 0 345.462 2.347 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001443131497 1097556363 /nfs/dbraw/zinc/55/63/63/1097556363.db2.gz BLPWTTWRBMDZCQ-HOTGVXAUSA-N 2 0 347.507 2.095 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](CCOC)c2ccccc2)C1)[NH+](C)C ZINC001443713337 1098217582 /nfs/dbraw/zinc/21/75/82/1098217582.db2.gz LDZZAUNDNFJVMZ-IPMKNSEASA-N 2 0 347.503 2.295 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001443934470 1098454697 /nfs/dbraw/zinc/45/46/97/1098454697.db2.gz CSIQOWLDMXJNSC-PKOBYXMFSA-N 2 0 346.519 2.221 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1nc(C)cs1 ZINC001443939796 1098459668 /nfs/dbraw/zinc/45/96/68/1098459668.db2.gz OITLYMOLNZELGK-QLFBSQMISA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001479494002 1098563511 /nfs/dbraw/zinc/56/35/11/1098563511.db2.gz FEGFJQLZPLUUPV-BBWFWOEESA-N 2 0 327.488 2.341 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001444049467 1098575235 /nfs/dbraw/zinc/57/52/35/1098575235.db2.gz ZTAYIWBROQAQSJ-GOSISDBHSA-N 2 0 333.476 2.041 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001444161374 1098709481 /nfs/dbraw/zinc/70/94/81/1098709481.db2.gz VXDAHYRSPHVDEA-KXBFYZLASA-N 2 0 348.491 2.234 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001444188032 1098737907 /nfs/dbraw/zinc/73/79/07/1098737907.db2.gz LZZZNTXCGPRCQV-SHTZXODSSA-N 2 0 334.464 2.021 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOCc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001479709502 1098787415 /nfs/dbraw/zinc/78/74/15/1098787415.db2.gz JJANAJHTNPSYTR-NZSAHSFTSA-N 2 0 347.503 2.122 10 0 EEAERP C[C@@H]1CC[C@H](C[N@H+](C)CCCNC(=O)c2ccc(C[NH+](C)C)cc2)O1 ZINC001479802618 1099034521 /nfs/dbraw/zinc/03/45/21/1099034521.db2.gz USGUMMHEXLJVOV-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)CCO1)[NH+](CC)CC ZINC001444440022 1099074017 /nfs/dbraw/zinc/07/40/17/1099074017.db2.gz DMIHYWQSKDFBDQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001479860440 1099173115 /nfs/dbraw/zinc/17/31/15/1099173115.db2.gz HAQJHBBIURNHEV-GOSISDBHSA-N 2 0 342.487 2.448 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cscn2)C1 ZINC001444813852 1099739856 /nfs/dbraw/zinc/73/98/56/1099739856.db2.gz JGKCFZQQSUUPDS-CABCVRRESA-N 2 0 338.521 2.200 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001480237571 1099867787 /nfs/dbraw/zinc/86/77/87/1099867787.db2.gz DGRPHIRKSAFDRJ-IYBDPMFKSA-N 2 0 348.491 2.158 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001480471440 1100277902 /nfs/dbraw/zinc/27/79/02/1100277902.db2.gz GDJCWAOLECQQNR-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001496251026 1100819792 /nfs/dbraw/zinc/81/97/92/1100819792.db2.gz SOAWNACVLVIINJ-CYBMUJFWSA-N 2 0 326.872 2.012 10 0 EEAERP COc1cccc(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)c1C ZINC001495188629 1100867262 /nfs/dbraw/zinc/86/72/62/1100867262.db2.gz YWCZTUPALLVPFG-UHFFFAOYSA-N 2 0 347.503 2.474 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496287360 1100870471 /nfs/dbraw/zinc/87/04/71/1100870471.db2.gz HCZWELRCQUXVFT-GOEBONIOSA-N 2 0 345.478 2.494 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccccn2)C1 ZINC001446530030 1100986686 /nfs/dbraw/zinc/98/66/86/1100986686.db2.gz YDGSENVDRXEKJZ-HKUYNNGSSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)on1 ZINC001495374520 1101091078 /nfs/dbraw/zinc/09/10/78/1101091078.db2.gz SPUHWRDBEDUWPV-MRXNPFEDSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001495377091 1101095779 /nfs/dbraw/zinc/09/57/79/1101095779.db2.gz CILZEIYCKKQLCK-IRXDYDNUSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001495429894 1101148387 /nfs/dbraw/zinc/14/83/87/1101148387.db2.gz ANFAJOONPGFMFD-HNNXBMFYSA-N 2 0 348.491 2.043 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001495560983 1101272979 /nfs/dbraw/zinc/27/29/79/1101272979.db2.gz VEBFWDCIPYHEAT-CHWSQXEVSA-N 2 0 341.393 2.199 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)cc1 ZINC001495576309 1101284339 /nfs/dbraw/zinc/28/43/39/1101284339.db2.gz RIZLAXGLKXRNJK-HXUWFJFHSA-N 2 0 343.515 2.460 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC[C@@H](C)F)CCC1(F)F ZINC001446731222 1101311676 /nfs/dbraw/zinc/31/16/76/1101311676.db2.gz ZFQHUJAABNMKJH-ZIAGYGMSSA-N 2 0 337.430 2.150 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001446939318 1101626326 /nfs/dbraw/zinc/62/63/26/1101626326.db2.gz HGHDWHPGDGHZPH-MJGOQNOKSA-N 2 0 331.504 2.396 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cncs2)CC1 ZINC001446950935 1101645658 /nfs/dbraw/zinc/64/56/58/1101645658.db2.gz FAPOCSBHLJQJGA-SHTZXODSSA-N 2 0 338.521 2.107 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001447088160 1101965372 /nfs/dbraw/zinc/96/53/72/1101965372.db2.gz BRTHQOOCQSBCFI-WKILWMFISA-N 2 0 336.480 2.089 10 0 EEAERP Cc1nccnc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497189017 1102096972 /nfs/dbraw/zinc/09/69/72/1102096972.db2.gz QAEUKSQJTYUXRG-HNNXBMFYSA-N 2 0 347.507 2.034 10 0 EEAERP CCc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001497214948 1102138204 /nfs/dbraw/zinc/13/82/04/1102138204.db2.gz KOQGKEQXAJFFLY-DZGCQCFKSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1ccc(CC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)cc1 ZINC001447270481 1102346836 /nfs/dbraw/zinc/34/68/36/1102346836.db2.gz QHSSJLXTUZUUBI-UHFFFAOYSA-N 2 0 329.488 2.262 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497406919 1102442345 /nfs/dbraw/zinc/44/23/45/1102442345.db2.gz GYZUSWVVOOBXQZ-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP CN(CCC[N@H+](C)CC[C@H]1CCCCO1)C(=O)C1([NH+](C)C)CCC1 ZINC001447336445 1102471067 /nfs/dbraw/zinc/47/10/67/1102471067.db2.gz MUGNULFZCAJXNM-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCC(C)(C)C)C1 ZINC001447473061 1102711036 /nfs/dbraw/zinc/71/10/36/1102711036.db2.gz QLMKNFQVKQFJSB-IBGZPJMESA-N 2 0 341.540 2.098 10 0 EEAERP CC1([NH2+]CCF)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001447548374 1102839976 /nfs/dbraw/zinc/83/99/76/1102839976.db2.gz YSSVYNCZFPGHQA-MRXNPFEDSA-N 2 0 325.472 2.334 10 0 EEAERP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001447548539 1102843141 /nfs/dbraw/zinc/84/31/41/1102843141.db2.gz ICZCFCPQHSYXDB-AWEZNQCLSA-N 2 0 344.459 2.262 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001497660430 1102845787 /nfs/dbraw/zinc/84/57/87/1102845787.db2.gz IKFHEGSKPQPJBA-DDKKJVIOSA-N 2 0 333.451 2.417 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1cc(Cl)ccc1F ZINC001497673148 1102876956 /nfs/dbraw/zinc/87/69/56/1102876956.db2.gz FBUIVTMMYVHSLA-ARJAWSKDSA-N 2 0 327.831 2.193 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001447618399 1102981818 /nfs/dbraw/zinc/98/18/18/1102981818.db2.gz BHUFYJHCQJXPBY-QGZVFWFLSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H](CCNC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001494057469 1103442492 /nfs/dbraw/zinc/44/24/92/1103442492.db2.gz UDIUCOBMRAVVRM-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001447860543 1103463807 /nfs/dbraw/zinc/46/38/07/1103463807.db2.gz BAKMHDPOIIODER-STQMWFEESA-N 2 0 334.464 2.019 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001494077868 1103485033 /nfs/dbraw/zinc/48/50/33/1103485033.db2.gz CANAMVHFKIWXBR-OALUTQOASA-N 2 0 347.478 2.436 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)o1 ZINC001447928976 1103623057 /nfs/dbraw/zinc/62/30/57/1103623057.db2.gz GZZTWDUQHNXTGP-KBPBESRZSA-N 2 0 336.480 2.150 10 0 EEAERP CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001447931688 1103628628 /nfs/dbraw/zinc/62/86/28/1103628628.db2.gz OGZPDUCWFXHYKM-JKSUJKDBSA-N 2 0 329.488 2.328 10 0 EEAERP Cc1ccccc1OCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494324621 1103896123 /nfs/dbraw/zinc/89/61/23/1103896123.db2.gz KOKRBCTZADEHRK-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC1CC(F)(F)C1 ZINC001448056647 1103912173 /nfs/dbraw/zinc/91/21/73/1103912173.db2.gz CWMGJEWTTCIUQG-CQSZACIVSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001448066403 1103930188 /nfs/dbraw/zinc/93/01/88/1103930188.db2.gz NPERQZIQLWSJIF-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(C)nc1C ZINC001495071667 1104711159 /nfs/dbraw/zinc/71/11/59/1104711159.db2.gz HHTJVPJXQDMZAW-SUMWQHHRSA-N 2 0 343.475 2.285 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480679712 1106869568 /nfs/dbraw/zinc/86/95/68/1106869568.db2.gz CJMJYEMEJWWNOG-VQFGERMISA-N 2 0 329.488 2.478 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480710873 1106935098 /nfs/dbraw/zinc/93/50/98/1106935098.db2.gz UFOPAMINQYIACQ-IAGOWNOFSA-N 2 0 348.491 2.376 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)C1 ZINC001480734382 1107004784 /nfs/dbraw/zinc/00/47/84/1107004784.db2.gz DYUVOVQFENOACG-KRWDZBQOSA-N 2 0 339.430 2.339 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCC[C@H]2CCOC2)C1 ZINC001480738939 1107020483 /nfs/dbraw/zinc/02/04/83/1107020483.db2.gz LKUUPHQIACLLBU-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCC[C@H]2CCOC2)C1 ZINC001480738938 1107022712 /nfs/dbraw/zinc/02/27/12/1107022712.db2.gz LKUUPHQIACLLBU-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480789194 1107120344 /nfs/dbraw/zinc/12/03/44/1107120344.db2.gz BCNHCKFZRIDUQW-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480832587 1107226330 /nfs/dbraw/zinc/22/63/30/1107226330.db2.gz BXWSRNSMYZUUGE-QZTJIDSGSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cc(C)ccc1C ZINC001493042260 1107375766 /nfs/dbraw/zinc/37/57/66/1107375766.db2.gz AYKOCVZWJQCWTL-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001493162811 1107623235 /nfs/dbraw/zinc/62/32/35/1107623235.db2.gz QMHXFWWWFSYRRT-WMZOPIPTSA-N 2 0 345.487 2.433 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001493210184 1107687936 /nfs/dbraw/zinc/68/79/36/1107687936.db2.gz HCZJJKPKNJUZJG-MAUKXSAKSA-N 2 0 348.466 2.033 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001498582440 1107759164 /nfs/dbraw/zinc/75/91/64/1107759164.db2.gz HNOWEGRHHMTOBS-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001493262077 1107803457 /nfs/dbraw/zinc/80/34/57/1107803457.db2.gz CZRISGMSZXHZBA-SFHVURJKSA-N 2 0 345.487 2.038 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001498864937 1108243091 /nfs/dbraw/zinc/24/30/91/1108243091.db2.gz UXVUCOJNOCXGKF-VQTJNVASSA-N 2 0 343.515 2.364 10 0 EEAERP CN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493551037 1108300471 /nfs/dbraw/zinc/30/04/71/1108300471.db2.gz UMUCMDJGSIFFIJ-SFHVURJKSA-N 2 0 340.471 2.058 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001493589857 1108366084 /nfs/dbraw/zinc/36/60/84/1108366084.db2.gz HURFMYBVZDFBIL-KURKYZTESA-N 2 0 333.520 2.347 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001479301402 1110678044 /nfs/dbraw/zinc/67/80/44/1110678044.db2.gz JRZLMXKCIAFTEG-FHLIZLRMSA-N 2 0 348.466 2.080 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC001479379259 1110688486 /nfs/dbraw/zinc/68/84/86/1110688486.db2.gz SSUVSGNYBLNBBO-SQNIBIBYSA-N 2 0 336.524 2.375 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)c(C)o1 ZINC001479416453 1110693994 /nfs/dbraw/zinc/69/39/94/1110693994.db2.gz IRWYZDRCRUZQJF-QAQDUYKDSA-N 2 0 348.491 2.152 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479469978 1110698821 /nfs/dbraw/zinc/69/88/21/1110698821.db2.gz CHWFFYAYEOSWSP-DOTOQJQBSA-N 2 0 348.491 2.232 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001499128245 1112139133 /nfs/dbraw/zinc/13/91/33/1112139133.db2.gz UZOZXFFUQFKSMO-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001499432764 1112284590 /nfs/dbraw/zinc/28/45/90/1112284590.db2.gz MOTWOUKEGKAKCB-IBGZPJMESA-N 2 0 327.472 2.219 10 0 EEAERP Cc1cnc([C@H](C)[NH+]2CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC2)cn1 ZINC001500012441 1112579336 /nfs/dbraw/zinc/57/93/36/1112579336.db2.gz DDKGWHYZEVLJKI-INIZCTEOSA-N 2 0 347.507 2.157 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001501581439 1113389670 /nfs/dbraw/zinc/38/96/70/1113389670.db2.gz DROUKLXSRDOGLE-MRXNPFEDSA-N 2 0 325.472 2.050 10 0 EEAERP C[NH+](C)CCC(=O)NCc1cccc2c1CC[N@H+](CCC1CC1)C2 ZINC001501854524 1113497900 /nfs/dbraw/zinc/49/79/00/1113497900.db2.gz VLMONWUZKDWNAI-UHFFFAOYSA-N 2 0 329.488 2.413 10 0 EEAERP Cc1nocc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001502017824 1113560584 /nfs/dbraw/zinc/56/05/84/1113560584.db2.gz XJJVHHANGHCBTQ-RDJZCZTQSA-N 2 0 348.491 2.232 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001502094580 1113584750 /nfs/dbraw/zinc/58/47/50/1113584750.db2.gz JWNPBQMVLCUCAP-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)c(C)n1 ZINC001502167171 1113624164 /nfs/dbraw/zinc/62/41/64/1113624164.db2.gz QKFRZXWXSOGQGP-SFHVURJKSA-N 2 0 332.492 2.073 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)s1 ZINC001502397311 1113664831 /nfs/dbraw/zinc/66/48/31/1113664831.db2.gz ZDAPIYURGWRYGK-UHFFFAOYSA-N 2 0 338.521 2.136 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C)cc1C ZINC001505886709 1114255003 /nfs/dbraw/zinc/25/50/03/1114255003.db2.gz KTENVXXWAVCXRN-RDJZCZTQSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCc1ccccc1 ZINC001505920833 1114277167 /nfs/dbraw/zinc/27/71/67/1114277167.db2.gz UPIQYZDWYWYJJV-APWZRJJASA-N 2 0 329.488 2.007 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCOC1CCC1 ZINC001506014623 1114345502 /nfs/dbraw/zinc/34/55/02/1114345502.db2.gz FKPVUNIZGOXIBR-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CCc1nocc1C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001506525326 1114673867 /nfs/dbraw/zinc/67/38/67/1114673867.db2.gz FRSPFZVKKSJPQK-UHFFFAOYSA-N 2 0 348.491 2.242 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001506802851 1114887142 /nfs/dbraw/zinc/88/71/42/1114887142.db2.gz QWRQQACVJPHRIS-FPDLTYSCSA-N 2 0 331.504 2.265 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C1 ZINC001506851209 1114913710 /nfs/dbraw/zinc/91/37/10/1114913710.db2.gz CRQMOLFWAGOBPD-BFHYXJOUSA-N 2 0 348.318 2.474 10 0 EEAERP O=C(N1CC2(C1)CCC[N@@H+](CCCCCF)C2)C12CC[NH+](CC1)C2 ZINC001506866696 1114935802 /nfs/dbraw/zinc/93/58/02/1114935802.db2.gz SUOWXEDDHZVJRY-UHFFFAOYSA-N 2 0 337.483 2.146 10 0 EEAERP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001506923766 1114976886 /nfs/dbraw/zinc/97/68/86/1114976886.db2.gz RWPOTQLGSYJVJD-CJNGLKHVSA-N 2 0 343.462 2.248 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001506945080 1114993821 /nfs/dbraw/zinc/99/38/21/1114993821.db2.gz VTZTXRDYJQZLCR-KRWDZBQOSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001507160874 1115141255 /nfs/dbraw/zinc/14/12/55/1115141255.db2.gz GUYACDBRPQIKEG-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001507341368 1115204565 /nfs/dbraw/zinc/20/45/65/1115204565.db2.gz SOQQBSDSJLUVNW-DYVFJYSZSA-N 2 0 339.430 2.384 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001507380491 1115239281 /nfs/dbraw/zinc/23/92/81/1115239281.db2.gz FRWXUOCBJVDPJX-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001507416558 1115258553 /nfs/dbraw/zinc/25/85/53/1115258553.db2.gz PESXWVQOALWILU-WBVHZDCISA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001508141222 1115426834 /nfs/dbraw/zinc/42/68/34/1115426834.db2.gz DRPWEGZSDYWHHC-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](Cc3cnoc3C)CC2)CC1 ZINC001508166483 1115433664 /nfs/dbraw/zinc/43/36/64/1115433664.db2.gz RPIRCVHSYFSAIG-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2scnc2C)CC1)[NH+](C)C ZINC001508226953 1115452610 /nfs/dbraw/zinc/45/26/10/1115452610.db2.gz GIKDIEXSMUTBCN-OAHLLOKOSA-N 2 0 336.505 2.040 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1=CCN(Cc2csc(C)n2)CC1 ZINC001508226860 1115452878 /nfs/dbraw/zinc/45/28/78/1115452878.db2.gz DHEANEDVOFODPE-UHFFFAOYSA-N 2 0 336.505 2.042 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568172240 1124339032 /nfs/dbraw/zinc/33/90/32/1124339032.db2.gz QFOLQNCGQXJPIU-XLIONFOSSA-N 2 0 343.515 2.221 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001568470184 1124529207 /nfs/dbraw/zinc/52/92/07/1124529207.db2.gz JFZOLZQDNADVIS-IEBWSBKVSA-N 2 0 347.503 2.056 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568630494 1124645424 /nfs/dbraw/zinc/64/54/24/1124645424.db2.gz DYKLACMRYCOQLZ-FUHWJXTLSA-N 2 0 332.492 2.247 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001568687909 1124698989 /nfs/dbraw/zinc/69/89/89/1124698989.db2.gz LFWNKDOJJLTIQZ-OAHLLOKOSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568969505 1125007388 /nfs/dbraw/zinc/00/73/88/1125007388.db2.gz MHQAKJOHIQZDDW-ADDHZHGLSA-N 2 0 330.476 2.025 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569202977 1125160969 /nfs/dbraw/zinc/16/09/69/1125160969.db2.gz LZRAPSQQBGGUMZ-UKRRQHHQSA-N 2 0 338.521 2.038 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC(F)(F)C1 ZINC001569208326 1125164926 /nfs/dbraw/zinc/16/49/26/1125164926.db2.gz CCEGUFHLWVKPLE-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(Cl)s1)C(=O)C[N@H+](C)C1CCC1 ZINC001569209764 1125165953 /nfs/dbraw/zinc/16/59/53/1125165953.db2.gz JEPVGODHBMPVSE-UHFFFAOYSA-N 2 0 344.912 2.219 10 0 EEAERP Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)ccc2c[nH+]cn21 ZINC001565900394 1125452199 /nfs/dbraw/zinc/45/21/99/1125452199.db2.gz KLONBVNJRPTTDJ-LSDHHAIUSA-N 2 0 332.423 2.490 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000121440158 282116773 /nfs/dbraw/zinc/11/67/73/282116773.db2.gz LGSPXCKLARZFBF-CRAIPNDOSA-N 2 0 330.476 2.073 10 0 EEAERP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000251541300 282120407 /nfs/dbraw/zinc/12/04/07/282120407.db2.gz GHCLJXMWRAVRBP-CGTJXYLNSA-N 2 0 330.476 2.025 10 0 EEAERP C[NH2+][C@H](CCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000053937641 214206902 /nfs/dbraw/zinc/20/69/02/214206902.db2.gz NHYRUFOLMAWSKW-OAHLLOKOSA-N 2 0 326.282 2.347 10 0 EEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174553035 282182003 /nfs/dbraw/zinc/18/20/03/282182003.db2.gz JHKUGQJJABAMSE-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000170861263 282196762 /nfs/dbraw/zinc/19/67/62/282196762.db2.gz JKVPRUVIBJZQGS-MSOLQXFVSA-N 2 0 330.476 2.169 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000245942190 539666869 /nfs/dbraw/zinc/66/68/69/539666869.db2.gz UTLWNTZVBNTMOV-FUHWJXTLSA-N 2 0 332.492 2.148 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000097358951 295905612 /nfs/dbraw/zinc/90/56/12/295905612.db2.gz YKDQFIHPLOGBFC-FUHWJXTLSA-N 2 0 332.492 2.463 10 0 EEAERP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000186999850 236091148 /nfs/dbraw/zinc/09/11/48/236091148.db2.gz IIVXKPDSUKAVEJ-GOSISDBHSA-N 2 0 346.519 2.285 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000422246050 240140724 /nfs/dbraw/zinc/14/07/24/240140724.db2.gz QUVZNZHIQPQBRI-UHFFFAOYSA-N 2 0 336.524 2.377 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000422886813 240274148 /nfs/dbraw/zinc/27/41/48/240274148.db2.gz JRRNOYRSJPIACX-LMMKCTJWSA-N 3 0 333.520 2.487 10 0 EEAERP CSc1ccc([C@H](C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)N(C)C)cc1 ZINC000423144488 240383401 /nfs/dbraw/zinc/38/34/01/240383401.db2.gz HFJDTGAMFGSZBX-IPMKNSEASA-N 2 0 349.544 2.368 10 0 EEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000022178463 212280330 /nfs/dbraw/zinc/28/03/30/212280330.db2.gz LVHQJRKWLGTLHD-HNNXBMFYSA-N 2 0 326.282 2.477 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000438888628 242058872 /nfs/dbraw/zinc/05/88/72/242058872.db2.gz VVPHQVRQPYUVHH-UGSOOPFHSA-N 2 0 336.439 2.374 10 0 EEAERP C[C@@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000246505150 243262939 /nfs/dbraw/zinc/26/29/39/243262939.db2.gz QECRJRVGVSLQPN-GPMSIDNRSA-N 2 0 345.487 2.034 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000080338589 217298855 /nfs/dbraw/zinc/29/88/55/217298855.db2.gz GUFYDJXJVDDAJX-MRXNPFEDSA-N 2 0 333.476 2.231 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000248562959 160350316 /nfs/dbraw/zinc/35/03/16/160350316.db2.gz JZSDKFGHHUEWPV-RTWAWAEBSA-N 2 0 345.531 2.082 10 0 EEAERP CCN(C)c1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000191333058 152249428 /nfs/dbraw/zinc/24/94/28/152249428.db2.gz NVQDHTHJWBIDLU-IBGZPJMESA-N 2 0 345.535 2.140 10 0 EEAERP CCC[C@](C)([NH3+])C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262699786 152308504 /nfs/dbraw/zinc/30/85/04/152308504.db2.gz GXPLTRXETOKTIK-SFHVURJKSA-N 2 0 327.513 2.101 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000354108825 153112400 /nfs/dbraw/zinc/11/24/00/153112400.db2.gz XITUODJCHGEHKA-KRWDZBQOSA-N 2 0 334.460 2.391 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234176 153959527 /nfs/dbraw/zinc/95/95/27/153959527.db2.gz CGESNGZOJXTJIV-JKSUJKDBSA-N 2 0 327.538 2.052 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC000127835321 292331566 /nfs/dbraw/zinc/33/15/66/292331566.db2.gz NWXHGTKFERHDPY-SJORKVTESA-N 2 0 326.529 2.477 10 0 EEAERP C[NH+](C)C1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104946013 159293763 /nfs/dbraw/zinc/29/37/63/159293763.db2.gz MLELUHZFHZEWOH-HNNXBMFYSA-N 2 0 346.393 2.471 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000176584084 159861001 /nfs/dbraw/zinc/86/10/01/159861001.db2.gz LWZHFRIHNJUVPI-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245863265 160254732 /nfs/dbraw/zinc/25/47/32/160254732.db2.gz IESNVEAOFXBOTF-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343622234 161152299 /nfs/dbraw/zinc/15/22/99/161152299.db2.gz NJXNHCWMHHOJTF-OAQYLSRUSA-N 2 0 341.499 2.444 10 0 EEAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000343893915 161178277 /nfs/dbraw/zinc/17/82/77/161178277.db2.gz JOTYQHHQAGKPSJ-UZLBHIALSA-N 2 0 331.504 2.447 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000354979322 163039451 /nfs/dbraw/zinc/03/94/51/163039451.db2.gz LEPPGVRKGLAKSO-BHIYHBOVSA-N 2 0 344.503 2.385 10 0 EEAERP O=C(NCC1CC[NH+](C2CC2)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000366320801 165720871 /nfs/dbraw/zinc/72/08/71/165720871.db2.gz VZDGQLMULZZHAM-UHFFFAOYSA-N 2 0 334.508 2.177 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901906 227349352 /nfs/dbraw/zinc/34/93/52/227349352.db2.gz GVKXNLPRCJTEJH-RTBURBONSA-N 2 0 342.487 2.141 10 0 EEAERP COCC[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000278688667 274389985 /nfs/dbraw/zinc/38/99/85/274389985.db2.gz KIAVHXCRWGXZCH-MXEMCNAFSA-N 2 0 343.515 2.492 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC=CCC2)[C@@H]1c1ccc(F)cc1 ZINC000373382235 277136507 /nfs/dbraw/zinc/13/65/07/277136507.db2.gz FYVSOJUQDUBDCV-MSOLQXFVSA-N 2 0 346.450 2.132 10 0 EEAERP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000414861834 278232449 /nfs/dbraw/zinc/23/24/49/278232449.db2.gz WUYHGNSHSYPLNB-ZNMIVQPWSA-N 2 0 346.475 2.024 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000128616525 279396890 /nfs/dbraw/zinc/39/68/90/279396890.db2.gz MWSJWIRJNPIMAP-IEBWSBKVSA-N 2 0 346.519 2.490 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000281705498 292778385 /nfs/dbraw/zinc/77/83/85/292778385.db2.gz MLKMEIMMAQSGME-UHFFFAOYSA-N 2 0 333.476 2.185 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000414728180 313070573 /nfs/dbraw/zinc/07/05/73/313070573.db2.gz BWTAMQWGDCPZHI-MRXNPFEDSA-N 2 0 347.507 2.323 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000414827894 313097983 /nfs/dbraw/zinc/09/79/83/313097983.db2.gz KWQBFEGWVBWWCW-SFHVURJKSA-N 3 0 330.520 2.308 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1cccs1 ZINC000416435633 313222358 /nfs/dbraw/zinc/22/23/58/313222358.db2.gz GECKSCDLOPUXGF-YOEHRIQHSA-N 2 0 336.505 2.136 10 0 EEAERP O=C(NCCC1=CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416871345 313343179 /nfs/dbraw/zinc/34/31/79/313343179.db2.gz JUJDUEPVEZDRAP-UHFFFAOYSA-N 2 0 342.487 2.391 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000416985220 313383467 /nfs/dbraw/zinc/38/34/67/313383467.db2.gz PPUPIGSZDPGXQL-CRAIPNDOSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417007813 313392291 /nfs/dbraw/zinc/39/22/91/313392291.db2.gz IAVZIYGPSUFTNU-HOTGVXAUSA-N 2 0 332.473 2.350 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000417073340 313413643 /nfs/dbraw/zinc/41/36/43/313413643.db2.gz SLHOKFLKAYZEOA-IBGZPJMESA-N 2 0 330.476 2.033 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000417314166 313481356 /nfs/dbraw/zinc/48/13/56/313481356.db2.gz QTZWQJIBYPEOLL-MSOLQXFVSA-N 2 0 330.476 2.134 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000417314172 313481684 /nfs/dbraw/zinc/48/16/84/313481684.db2.gz QTZWQJIBYPEOLL-ZWKOTPCHSA-N 2 0 330.476 2.134 10 0 EEAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418599284 313856428 /nfs/dbraw/zinc/85/64/28/313856428.db2.gz ZKJPRAFRBGUCSH-IBGZPJMESA-N 2 0 342.487 2.450 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000418697003 313883160 /nfs/dbraw/zinc/88/31/60/313883160.db2.gz BHVDXNZPMAUERR-CABCVRRESA-N 2 0 333.480 2.065 10 0 EEAERP CN(C)c1ncc(CN2CCCN(c3ccccc3F)CC2)n1C ZINC000425384370 314382995 /nfs/dbraw/zinc/38/29/95/314382995.db2.gz QIYUIJJJDQBGRV-UHFFFAOYSA-N 2 0 331.439 2.338 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)nc2)[C@H](C)C1 ZINC000527988979 317298801 /nfs/dbraw/zinc/29/88/01/317298801.db2.gz WLCCWGWEDSOHPB-SJLPKXTDSA-N 2 0 335.492 2.359 10 0 EEAERP COc1ccc(OC)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247597 317704273 /nfs/dbraw/zinc/70/42/73/317704273.db2.gz BAIKCTBZHNUBQV-GOSISDBHSA-N 2 0 334.460 2.294 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000536600142 318003303 /nfs/dbraw/zinc/00/33/03/318003303.db2.gz VPGKLPHGLYFRNM-HZPDHXFCSA-N 2 0 330.476 2.157 10 0 EEAERP CN(CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cc[nH+]cc1 ZINC000541856497 318112565 /nfs/dbraw/zinc/11/25/65/318112565.db2.gz LVPIEGPCPLLDDX-UYAOXDASSA-N 2 0 338.455 2.470 10 0 EEAERP Cc1cccc(C2(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CCCC2)c1 ZINC000562988551 318953788 /nfs/dbraw/zinc/95/37/88/318953788.db2.gz YIPSFRJDEOTRJM-HXUWFJFHSA-N 2 0 345.531 2.005 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000563529156 319019706 /nfs/dbraw/zinc/01/97/06/319019706.db2.gz GXASCTUFKYCQGQ-BPQIPLTHSA-N 2 0 330.476 2.121 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000563585248 319025821 /nfs/dbraw/zinc/02/58/21/319025821.db2.gz DXNDGRHPYJWZJP-IEBWSBKVSA-N 2 0 336.524 2.140 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000565831768 319219027 /nfs/dbraw/zinc/21/90/27/319219027.db2.gz DRSNHHWLFYHBHW-IBGZPJMESA-N 2 0 342.487 2.271 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000566672685 319310794 /nfs/dbraw/zinc/31/07/94/319310794.db2.gz BXJDCGRJDCXBRU-IMJJTQAJSA-N 2 0 329.423 2.116 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[NH+](C)C)cc1 ZINC000574741398 320052633 /nfs/dbraw/zinc/05/26/33/320052633.db2.gz AVRCQQLSNDKQPN-UYAOXDASSA-N 2 0 344.503 2.383 10 0 EEAERP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000580764311 324124767 /nfs/dbraw/zinc/12/47/67/324124767.db2.gz VIWVOMIMXQEZKD-INIZCTEOSA-N 2 0 336.524 2.458 10 0 EEAERP Cc1ccc2[nH+]ccc(NC3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000354582713 465036957 /nfs/dbraw/zinc/03/69/57/465036957.db2.gz UGHWTSZEZVBDJU-UHFFFAOYSA-N 2 0 340.471 2.320 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348048844 465394469 /nfs/dbraw/zinc/39/44/69/465394469.db2.gz WOBDOGMSPIRANI-QVHQYWGISA-N 2 0 341.499 2.496 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000521471830 468316796 /nfs/dbraw/zinc/31/67/96/468316796.db2.gz UBZXSDNZNQEHDT-OALUTQOASA-N 2 0 344.503 2.463 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000090410622 462790048 /nfs/dbraw/zinc/79/00/48/462790048.db2.gz LSNOOXMZRGDALG-WBVHZDCISA-N 2 0 348.491 2.081 10 0 EEAERP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410693 462790283 /nfs/dbraw/zinc/79/02/83/462790283.db2.gz JSPOACAZJMJLSD-DOTOQJQBSA-N 2 0 348.491 2.081 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000156645092 463051921 /nfs/dbraw/zinc/05/19/21/463051921.db2.gz XNTQHPJVKSMLRE-UHOSZYNNSA-N 2 0 329.488 2.498 10 0 EEAERP COc1cccc(C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C2CC2)c1 ZINC000121135572 463085373 /nfs/dbraw/zinc/08/53/73/463085373.db2.gz NFRAKJFDEIFEQJ-AZUAARDMSA-N 2 0 332.488 2.453 10 0 EEAERP CN(CCC1CC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000122836687 463295428 /nfs/dbraw/zinc/29/54/28/463295428.db2.gz FHTCBOXOEURJDD-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000081331528 463421101 /nfs/dbraw/zinc/42/11/01/463421101.db2.gz HBBBGFVBUPKQIK-QGZVFWFLSA-N 2 0 347.503 2.431 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000105903258 463496052 /nfs/dbraw/zinc/49/60/52/463496052.db2.gz HJQWDDDLQVIKOT-INIZCTEOSA-N 2 0 333.476 2.040 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000072956387 463566459 /nfs/dbraw/zinc/56/64/59/463566459.db2.gz JIHJYDVBHKXOJA-MRXNPFEDSA-N 2 0 344.503 2.455 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000072996517 463572938 /nfs/dbraw/zinc/57/29/38/463572938.db2.gz AKEXUUQAHCESSZ-SFHVURJKSA-N 2 0 330.476 2.063 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000170829524 463716184 /nfs/dbraw/zinc/71/61/84/463716184.db2.gz GKRFJPPQVAFRHQ-HZPDHXFCSA-N 2 0 338.521 2.477 10 0 EEAERP [NH3+]C[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592851 468382170 /nfs/dbraw/zinc/38/21/70/468382170.db2.gz JMLMBRNWNORXSN-AWEZNQCLSA-N 2 0 332.473 2.121 10 0 EEAERP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)Cc1ccc(F)cc1 ZINC000261899469 463892599 /nfs/dbraw/zinc/89/25/99/463892599.db2.gz HNPVTTBBXZUDNX-IPMKNSEASA-N 2 0 335.467 2.004 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N(C)Cc1ccccc1 ZINC000261913232 463898059 /nfs/dbraw/zinc/89/80/59/463898059.db2.gz JFYKQSBHMGBFEZ-MDNKFWRPSA-N 2 0 331.504 2.254 10 0 EEAERP C[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)Cc1ccccc1 ZINC000171909222 463948423 /nfs/dbraw/zinc/94/84/23/463948423.db2.gz LURCOKMJNQKWAH-QGZVFWFLSA-N 2 0 344.503 2.387 10 0 EEAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119231 465435625 /nfs/dbraw/zinc/43/56/25/465435625.db2.gz ZZQRLKDIIMTCNC-YJBOKZPZSA-N 2 0 329.448 2.029 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(CCN2CCc3ccccc32)CC1 ZINC000292391600 464216414 /nfs/dbraw/zinc/21/64/14/464216414.db2.gz IMEPSOFIVDUXBE-HXUWFJFHSA-N 2 0 342.531 2.151 10 0 EEAERP Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000182311289 464625377 /nfs/dbraw/zinc/62/53/77/464625377.db2.gz OSNYWEODZYFNJU-PKOBYXMFSA-N 2 0 347.503 2.119 10 0 EEAERP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190484508 464656822 /nfs/dbraw/zinc/65/68/22/464656822.db2.gz RSDWWPUKMKBUEO-GOSISDBHSA-N 2 0 327.476 2.386 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000175956724 464667028 /nfs/dbraw/zinc/66/70/28/464667028.db2.gz QEPUQLBBBCNDOH-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP CCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C ZINC000190582347 464681822 /nfs/dbraw/zinc/68/18/22/464681822.db2.gz QQQRGGIZNFYTON-ZWKOTPCHSA-N 2 0 332.492 2.092 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000247479836 464683910 /nfs/dbraw/zinc/68/39/10/464683910.db2.gz VZOUQXSKXAHNEH-NXHRZFHOSA-N 2 0 332.492 2.317 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccccc2n1 ZINC000266716486 464798280 /nfs/dbraw/zinc/79/82/80/464798280.db2.gz RSUMCVFYKDPILD-JKSUJKDBSA-N 2 0 327.432 2.103 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000569050431 468428204 /nfs/dbraw/zinc/42/82/04/468428204.db2.gz OXJAXCGNHUAJRT-UHFFFAOYSA-N 2 0 336.443 2.478 10 0 EEAERP O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCCc2nccn21 ZINC000351727811 465321285 /nfs/dbraw/zinc/32/12/85/465321285.db2.gz RIAVEBGAFUYFGB-KRWDZBQOSA-N 2 0 335.411 2.322 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)[C@H]2CCC[C@H]21 ZINC000353441161 465883286 /nfs/dbraw/zinc/88/32/86/465883286.db2.gz AIUTWKOIGDDURU-IXDOHACOSA-N 2 0 331.460 2.347 10 0 EEAERP C[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353521810 465949426 /nfs/dbraw/zinc/94/94/26/465949426.db2.gz SQGCPYSIVJKRPE-UWHLTILDSA-N 2 0 343.515 2.086 10 0 EEAERP Cc1nc(C)c(C)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000301825202 466040583 /nfs/dbraw/zinc/04/05/83/466040583.db2.gz IQIYSCBQRAFYJP-JWTNVVGKSA-N 2 0 329.492 2.149 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000369516933 466735103 /nfs/dbraw/zinc/73/51/03/466735103.db2.gz LPJFXGXCHJYVBA-IBGZPJMESA-N 2 0 333.524 2.363 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423406341 466742015 /nfs/dbraw/zinc/74/20/15/466742015.db2.gz URISQXWHHSCAGR-JLSDUUJJSA-N 2 0 329.448 2.006 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417049515 466764770 /nfs/dbraw/zinc/76/47/70/466764770.db2.gz UIPCUQHPDCTYED-FUHWJXTLSA-N 2 0 332.492 2.498 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417050757 466765286 /nfs/dbraw/zinc/76/52/86/466765286.db2.gz XRKYGTWDYZWTJS-XMTFNYHQSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417181578 466796742 /nfs/dbraw/zinc/79/67/42/466796742.db2.gz IDLSFHOJQGGTCL-SZMVWBNQSA-N 2 0 332.492 2.071 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000373514494 466830459 /nfs/dbraw/zinc/83/04/59/466830459.db2.gz JKIPLKQPMVLVIJ-WDSOQIARSA-N 2 0 329.488 2.403 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000417406869 466852289 /nfs/dbraw/zinc/85/22/89/466852289.db2.gz RWERTYYBQFFUHJ-QZTJIDSGSA-N 2 0 330.476 2.032 10 0 EEAERP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000417665749 466903827 /nfs/dbraw/zinc/90/38/27/466903827.db2.gz ZRKYXWCANMPFSO-CYBMUJFWSA-N 2 0 336.455 2.156 10 0 EEAERP C[C@H](CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417819398 466943859 /nfs/dbraw/zinc/94/38/59/466943859.db2.gz TUWBEHGJWCPWRE-NUJGCVRESA-N 2 0 332.492 2.194 10 0 EEAERP C[C@H](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417820870 466944901 /nfs/dbraw/zinc/94/49/01/466944901.db2.gz VFVNHGNMBORKBO-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000418159443 467061442 /nfs/dbraw/zinc/06/14/42/467061442.db2.gz AFSWHFKOWFSEHX-FZCLSBEQSA-N 2 0 332.492 2.283 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC[NH3+] ZINC000418307914 467090474 /nfs/dbraw/zinc/09/04/74/467090474.db2.gz FPDLUMZDQWFWQU-UHFFFAOYSA-N 2 0 346.397 2.127 10 0 EEAERP COC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102727 467323421 /nfs/dbraw/zinc/32/34/21/467323421.db2.gz LBDBRWJGFOYCOY-MJGOQNOKSA-N 2 0 347.503 2.154 10 0 EEAERP O=C(NCc1ccccc1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420326348 467357615 /nfs/dbraw/zinc/35/76/15/467357615.db2.gz XHKURIUISWVKKD-SFHVURJKSA-N 2 0 329.488 2.405 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382714722 467378349 /nfs/dbraw/zinc/37/83/49/467378349.db2.gz ZMNHNLKRPXGFOQ-QRQLOZEOSA-N 2 0 329.488 2.484 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000394114543 467432740 /nfs/dbraw/zinc/43/27/40/467432740.db2.gz UXFRKTPDZMEVSH-SFHVURJKSA-N 2 0 337.467 2.440 10 0 EEAERP [NH3+]CCCN1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000415100095 467489609 /nfs/dbraw/zinc/48/96/09/467489609.db2.gz GJWNUINQSPDUEH-UHFFFAOYSA-N 2 0 336.911 2.275 10 0 EEAERP Cn1c2cc(F)ccc2nc1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431436858 467516559 /nfs/dbraw/zinc/51/65/59/467516559.db2.gz WZVZFAFOOVRJKC-MRXNPFEDSA-N 2 0 345.466 2.319 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCNc2cnccn2)C3)cc1 ZINC000447582028 467587877 /nfs/dbraw/zinc/58/78/77/467587877.db2.gz XFSOKLFBZMCBCT-LDLYASANSA-N 2 0 337.471 2.674 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cn2)CC1 ZINC000449082932 467616911 /nfs/dbraw/zinc/61/69/11/467616911.db2.gz QXDPIMMCHNZWRA-GOSISDBHSA-N 2 0 344.503 2.415 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000457910754 467727664 /nfs/dbraw/zinc/72/76/64/467727664.db2.gz KQOYVSFJLNNZAZ-MOPGFXCFSA-N 2 0 346.519 2.285 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000458341199 467811791 /nfs/dbraw/zinc/81/17/91/467811791.db2.gz KVCXKXRQGBLEEU-ZIFCJYIRSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000529320150 467845933 /nfs/dbraw/zinc/84/59/33/467845933.db2.gz KTGQLLJFALZWDI-BZSNNMDCSA-N 2 0 330.476 2.071 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450794871 467909237 /nfs/dbraw/zinc/90/92/37/467909237.db2.gz NWKSAAVKAWKBJF-BETUJISGSA-N 2 0 333.407 2.274 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530211036 467963128 /nfs/dbraw/zinc/96/31/28/467963128.db2.gz LVBRGHBCTRNHJL-YGRLFVJLSA-N 2 0 327.354 2.499 10 0 EEAERP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CC1(C)C ZINC000487547910 468043854 /nfs/dbraw/zinc/04/38/54/468043854.db2.gz ATQQJUHCSGTHLA-NXHRZFHOSA-N 2 0 331.504 2.300 10 0 EEAERP CN1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519638657 468187279 /nfs/dbraw/zinc/18/72/79/468187279.db2.gz ACHZJOZEQUWNJT-XHSDSOJGSA-N 2 0 339.842 2.468 10 0 EEAERP [NH3+][C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000567841913 468221377 /nfs/dbraw/zinc/22/13/77/468221377.db2.gz VMUVAPJOGIZYPW-FGTMMUONSA-N 2 0 327.403 2.169 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000594494872 468609679 /nfs/dbraw/zinc/60/96/79/468609679.db2.gz JQGNBOSKZXRZIU-DNVCBOLYSA-N 2 0 345.487 2.076 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CO2)CC[NH2+]CC1 ZINC000600702004 468624864 /nfs/dbraw/zinc/62/48/64/468624864.db2.gz IEOHKYOBKPUTIU-QAPCUYQASA-N 2 0 346.471 2.039 10 0 EEAERP COCCN(C)C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000583448899 468699754 /nfs/dbraw/zinc/69/97/54/468699754.db2.gz ULDOODSSUBBITM-IHRRRGAJSA-N 2 0 326.403 2.026 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000570920384 468713254 /nfs/dbraw/zinc/71/32/54/468713254.db2.gz KCMCKPZHLLTREC-GOSISDBHSA-N 2 0 338.467 2.415 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583921206 468774693 /nfs/dbraw/zinc/77/46/93/468774693.db2.gz DGVZMATZBXFBFE-JFRXWTBNSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000572888678 469015836 /nfs/dbraw/zinc/01/58/36/469015836.db2.gz ZLCDPNNHFLTVHF-FVJLSDCUSA-N 2 0 343.515 2.406 10 0 EEAERP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115142 469173950 /nfs/dbraw/zinc/17/39/50/469173950.db2.gz MJMHQUOQOKNTAA-JKSUJKDBSA-N 2 0 337.414 2.012 10 0 EEAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000615652815 469293142 /nfs/dbraw/zinc/29/31/42/469293142.db2.gz YHSZLGCEVRVRFK-UHOSZYNNSA-N 2 0 346.471 2.401 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)CC[NH2+]CC1 ZINC000596651875 469321940 /nfs/dbraw/zinc/32/19/40/469321940.db2.gz OMMNNZQFELCVNH-AWEZNQCLSA-N 2 0 348.491 2.099 10 0 EEAERP CC[N@H+](C)C[C@@H](O)CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982473 469457471 /nfs/dbraw/zinc/45/74/71/469457471.db2.gz ARTMKTAPJORYLU-BBRMVZONSA-N 2 0 348.318 2.498 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000616697078 469480438 /nfs/dbraw/zinc/48/04/38/469480438.db2.gz PMTGIOGJXPAYES-AQNXPRMDSA-N 2 0 343.515 2.398 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629418801 469536404 /nfs/dbraw/zinc/53/64/04/469536404.db2.gz UBHLGQFQWADQPD-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2c(F)cccc2F)CC1(C)C ZINC000623416702 469650248 /nfs/dbraw/zinc/65/02/48/469650248.db2.gz CZYYTMKBJDFEBN-GFCCVEGCSA-N 2 0 325.403 2.157 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000626957357 469768702 /nfs/dbraw/zinc/76/87/02/469768702.db2.gz NYBLZHZCSHULFG-BGYRXZFFSA-N 2 0 344.503 2.279 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000627016875 469791174 /nfs/dbraw/zinc/79/11/74/469791174.db2.gz RAFUUNGUCPEYRW-AYOQOUSVSA-N 2 0 344.503 2.337 10 0 EEAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126511 469820077 /nfs/dbraw/zinc/82/00/77/469820077.db2.gz VKTACWNSBZPTNI-HNNXBMFYSA-N 2 0 336.505 2.106 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627202076 469842322 /nfs/dbraw/zinc/84/23/22/469842322.db2.gz NEYWSNOUVQHMDQ-KBAYOESNSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627242379 469854623 /nfs/dbraw/zinc/85/46/23/469854623.db2.gz RXDGZWHQRWZYES-MAUKXSAKSA-N 2 0 345.491 2.080 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000632482995 470237166 /nfs/dbraw/zinc/23/71/66/470237166.db2.gz OWOWCSBFJVKVFO-GDAAHCPNSA-N 2 0 329.488 2.353 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]4C[NH2+]CC[C@@H]43)ccc21 ZINC000632860924 470279204 /nfs/dbraw/zinc/27/92/04/470279204.db2.gz JKHCNZATPSITJM-MJGOQNOKSA-N 2 0 340.471 2.204 10 0 EEAERP CCC[C@@H]1CN(C(=O)NC/C=C/C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641866427 470504800 /nfs/dbraw/zinc/50/48/00/470504800.db2.gz BLIZONARAMQKHS-IPLHWJFFSA-N 2 0 330.476 2.197 10 0 EEAERP CCN(C(=O)NC/C=C/C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000641869646 470505602 /nfs/dbraw/zinc/50/56/02/470505602.db2.gz DVJGSCXLWYPXEK-KTJBFALPSA-N 2 0 330.476 2.368 10 0 EEAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000649373405 470563923 /nfs/dbraw/zinc/56/39/23/470563923.db2.gz YFILRHGLVUAIQU-ZWKOTPCHSA-N 2 0 342.487 2.085 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)CC3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000646296308 470594894 /nfs/dbraw/zinc/59/48/94/470594894.db2.gz BNPRMQJJHFQVLZ-IEBWSBKVSA-N 2 0 343.471 2.361 10 0 EEAERP OC1(C2CC[NH+](CCCC[NH+]3CCC(C4(O)CC4)CC3)CC2)CC1 ZINC000649671139 470661017 /nfs/dbraw/zinc/66/10/17/470661017.db2.gz KJDHMPXCGQYIJO-UHFFFAOYSA-N 2 0 336.520 2.240 10 0 EEAERP CCC1([NH+](C)C)CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000640017712 470756505 /nfs/dbraw/zinc/75/65/05/470756505.db2.gz KETCOVMDKNLQEM-IBGZPJMESA-N 2 0 333.520 2.286 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc3c2OCCO3)C1 ZINC000650722471 470951164 /nfs/dbraw/zinc/95/11/64/470951164.db2.gz UTTGXNBDQISFPB-JFIYKMOQSA-N 2 0 332.444 2.319 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000654663001 471120398 /nfs/dbraw/zinc/12/03/98/471120398.db2.gz BPKNCVJYYBLFAF-XOKHGSTOSA-N 2 0 336.455 2.068 10 0 EEAERP CCOc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000657596389 471179828 /nfs/dbraw/zinc/17/98/28/471179828.db2.gz MSRSLAFQWQNRQF-LJQANCHMSA-N 2 0 341.455 2.337 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000654827446 471193867 /nfs/dbraw/zinc/19/38/67/471193867.db2.gz FIPUMUDXUPIJOW-NEWSRXKRSA-N 2 0 329.488 2.450 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000652130209 471241258 /nfs/dbraw/zinc/24/12/58/471241258.db2.gz FCYNGXDRCDHXDQ-UHFFFAOYSA-N 2 0 340.471 2.467 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CCCn3nccc32)(N2CCCCC2)CC1 ZINC000657893230 471245440 /nfs/dbraw/zinc/24/54/40/471245440.db2.gz QOEGIAFDLHQLQI-KRWDZBQOSA-N 2 0 331.508 2.258 10 0 EEAERP COC[C@@H](CC1CCOCC1)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000657954253 471251708 /nfs/dbraw/zinc/25/17/08/471251708.db2.gz GKGOHMPSDKCWPJ-QGZVFWFLSA-N 2 0 348.491 2.077 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242116 471261193 /nfs/dbraw/zinc/26/11/93/471261193.db2.gz WLIPSLDYQZONJS-UHFFFAOYSA-N 2 0 332.492 2.409 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449412 471330546 /nfs/dbraw/zinc/33/05/46/471330546.db2.gz FBFPVSCIJFBZIW-OXQOHEQNSA-N 2 0 342.487 2.157 10 0 EEAERP [NH3+]C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515319 471360777 /nfs/dbraw/zinc/36/07/77/471360777.db2.gz XWLJIPVLZASVMD-JSGCOSHPSA-N 2 0 347.356 2.044 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659039078 471481265 /nfs/dbraw/zinc/48/12/65/471481265.db2.gz YZKOJOBWYXZQOQ-ROUUACIJSA-N 2 0 346.475 2.151 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000655785666 471481744 /nfs/dbraw/zinc/48/17/44/471481744.db2.gz MUZBZTGNRGPQHX-WCIQWLHISA-N 2 0 332.488 2.274 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420313 471488803 /nfs/dbraw/zinc/48/88/03/471488803.db2.gz IXAUDBHZQZTIHQ-QRQLOZEOSA-N 2 0 344.503 2.196 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663750900 471501668 /nfs/dbraw/zinc/50/16/68/471501668.db2.gz NMDZBBNTJDONOJ-IRXDYDNUSA-N 2 0 336.455 2.164 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653224191 471541594 /nfs/dbraw/zinc/54/15/94/471541594.db2.gz NHFGFAULVCRQTE-UHFFFAOYSA-N 2 0 345.418 2.155 10 0 EEAERP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC000655939138 471550491 /nfs/dbraw/zinc/55/04/91/471550491.db2.gz KLBZFINLYYTYOF-AWEZNQCLSA-N 2 0 339.430 2.217 10 0 EEAERP CC[NH+](CC)CCN(CCOC)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659293601 471569691 /nfs/dbraw/zinc/56/96/91/471569691.db2.gz WPSCAZRSIPCTSS-GOSISDBHSA-N 2 0 333.476 2.038 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659438488 471627666 /nfs/dbraw/zinc/62/76/66/471627666.db2.gz YUKDQFFDEKHXPD-OAHLLOKOSA-N 2 0 342.553 2.021 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659454169 471635848 /nfs/dbraw/zinc/63/58/48/471635848.db2.gz YCCSXBPFASMPSX-IPMKNSEASA-N 2 0 344.503 2.306 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000667148669 471671574 /nfs/dbraw/zinc/67/15/74/471671574.db2.gz MCNGWSDRPMJMEK-UHFFFAOYSA-N 2 0 340.431 2.265 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000659625478 471702215 /nfs/dbraw/zinc/70/22/15/471702215.db2.gz UGDZAGXYKTXQPC-QGZVFWFLSA-N 2 0 338.471 2.272 10 0 EEAERP CC(C[NH+]1C[C@]2(C)COC[C@]2(C)C1)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661491585 471775106 /nfs/dbraw/zinc/77/51/06/471775106.db2.gz RUJZAUZFQZAFNX-FGYAAKKASA-N 2 0 336.520 2.339 10 0 EEAERP OC1([C@H]2CCCC[N@@H+]2C/C=C\C[NH+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708163 471814945 /nfs/dbraw/zinc/81/49/45/471814945.db2.gz UQAWPUILNDJZNR-SPCWZHTESA-N 2 0 334.504 2.301 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000654391018 471939531 /nfs/dbraw/zinc/93/95/31/471939531.db2.gz CSFQLOXVLQLCBG-XKQJLSEDSA-N 2 0 336.455 2.068 10 0 EEAERP COc1cc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)ccc1OC(F)F ZINC000662250149 472041892 /nfs/dbraw/zinc/04/18/92/472041892.db2.gz ZFKJSZZWXDINOO-CYBMUJFWSA-N 2 0 342.386 2.249 10 0 EEAERP CC(=O)NCc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000668445543 472129570 /nfs/dbraw/zinc/12/95/70/472129570.db2.gz STPAQXBYINMQJT-UHFFFAOYSA-N 2 0 338.455 2.476 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662696944 472211705 /nfs/dbraw/zinc/21/17/05/472211705.db2.gz ZWBQJJMVEOPUBF-HIFRSBDPSA-N 2 0 342.443 2.434 10 0 EEAERP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658141146 485570705 /nfs/dbraw/zinc/57/07/05/485570705.db2.gz RIAYTMBGOODXSJ-PKOBYXMFSA-N 2 0 340.471 2.154 10 0 EEAERP CC(C)OCC[NH+]1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662488477 485596093 /nfs/dbraw/zinc/59/60/93/485596093.db2.gz PBUGFIDXMLNKQV-IBGZPJMESA-N 2 0 345.487 2.227 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566034 486146772 /nfs/dbraw/zinc/14/67/72/486146772.db2.gz JPRMCMPKVUQFQV-YLJYHZDGSA-N 2 0 331.504 2.038 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000682101308 486422263 /nfs/dbraw/zinc/42/22/63/486422263.db2.gz RXWICDQYVWBHTD-UHFFFAOYSA-N 2 0 338.415 2.135 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000363348856 526235954 /nfs/dbraw/zinc/23/59/54/526235954.db2.gz KTPGEEIRILHGBB-UHFFFAOYSA-N 2 0 344.503 2.455 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000416183930 527966632 /nfs/dbraw/zinc/96/66/32/527966632.db2.gz MAIAUJKYBVOPEE-SJORKVTESA-N 2 0 329.488 2.376 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415973203 529353930 /nfs/dbraw/zinc/35/39/30/529353930.db2.gz MMBCPUNEEUHPTL-CYBMUJFWSA-N 2 0 334.439 2.419 10 0 EEAERP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782937 535581312 /nfs/dbraw/zinc/58/13/12/535581312.db2.gz GVXFCEZDPUGXCQ-RTBURBONSA-N 2 0 345.487 2.056 10 0 EEAERP COC1([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000453075375 536707080 /nfs/dbraw/zinc/70/70/80/536707080.db2.gz FCRHTNXQSNLMOD-IXDOHACOSA-N 2 0 328.497 2.050 10 0 EEAERP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938358 681737297 /nfs/dbraw/zinc/73/72/97/681737297.db2.gz KVLDXDZGGSADMO-PMACEKPBSA-N 2 0 344.499 2.479 10 0 EEAERP C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925669571 684803605 /nfs/dbraw/zinc/80/36/05/684803605.db2.gz VSJHMPOYJMSJIS-GOSISDBHSA-N 2 0 332.492 2.176 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924670361 693126060 /nfs/dbraw/zinc/12/60/60/693126060.db2.gz MKBBSKKMPHHTIF-IAGOWNOFSA-N 2 0 333.524 2.360 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001485537820 1191827263 /nfs/dbraw/zinc/82/72/63/1191827263.db2.gz UHMKKLXIPWCHLS-OCCSQVGLSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485747348 1191929745 /nfs/dbraw/zinc/92/97/45/1191929745.db2.gz BAKXYZLJYHCNTH-RDJZCZTQSA-N 2 0 345.487 2.043 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001485812194 1191973186 /nfs/dbraw/zinc/97/31/86/1191973186.db2.gz VIILMBOOVNRFCG-MSOLQXFVSA-N 2 0 348.491 2.182 10 0 EEAERP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@H]1CCCC1(F)F ZINC001480886483 1177021403 /nfs/dbraw/zinc/02/14/03/1177021403.db2.gz UNEXQHPGRFQDIB-OAHLLOKOSA-N 2 0 343.462 2.488 10 0 EEAERP CCOC1CC(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266852425 1177558447 /nfs/dbraw/zinc/55/84/47/1177558447.db2.gz OXKWZWXADXFDAA-AOCRQIFASA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC[C@@H]2CCCCO2)C1 ZINC001480904625 1177881948 /nfs/dbraw/zinc/88/19/48/1177881948.db2.gz JLMCSNYDPMUTRX-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC001691324767 1177914193 /nfs/dbraw/zinc/91/41/93/1177914193.db2.gz USTHJLWRYGQIRR-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001267068135 1178183596 /nfs/dbraw/zinc/18/35/96/1178183596.db2.gz DEBQRHXCNGTDGI-MSOLQXFVSA-N 2 0 347.478 2.148 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(CC[NH2+]CCC3CC3)cc2)C1 ZINC001267098116 1178234814 /nfs/dbraw/zinc/23/48/14/1178234814.db2.gz DVZNJOFHRXAOOL-IBGZPJMESA-N 2 0 329.488 2.187 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)oc1C ZINC001267181819 1178443475 /nfs/dbraw/zinc/44/34/75/1178443475.db2.gz OGDSMRITNYVBQP-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001480935025 1178844602 /nfs/dbraw/zinc/84/46/02/1178844602.db2.gz JQBPFDSYHPWMEQ-SJLPKXTDSA-N 2 0 335.467 2.494 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267442102 1179017278 /nfs/dbraw/zinc/01/72/78/1179017278.db2.gz XOMTWRMISKVXPU-UHFFFAOYSA-N 2 0 326.444 2.005 10 0 EEAERP COc1cccc(/C=C/CC[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001480947113 1179090135 /nfs/dbraw/zinc/09/01/35/1179090135.db2.gz IPVIKBPUXUVAGL-UKTKYZJWSA-N 2 0 345.487 2.098 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267470635 1179098893 /nfs/dbraw/zinc/09/88/93/1179098893.db2.gz YYDKBJUPBMCVKI-QGZVFWFLSA-N 2 0 331.504 2.484 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001481072376 1179676791 /nfs/dbraw/zinc/67/67/91/1179676791.db2.gz TWCNGFYDSHGLDU-PKOBYXMFSA-N 2 0 345.462 2.489 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001267776117 1180501674 /nfs/dbraw/zinc/50/16/74/1180501674.db2.gz FEZROFAIAUEEBY-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001267989510 1180928498 /nfs/dbraw/zinc/92/84/98/1180928498.db2.gz CDFXFRDFGQQTGG-VQIMIIECSA-N 2 0 347.503 2.064 10 0 EEAERP CC(C)OCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001481365167 1181131432 /nfs/dbraw/zinc/13/14/32/1181131432.db2.gz JZRWXAMQKAYEBF-MOPGFXCFSA-N 2 0 347.503 2.343 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001481366828 1181137171 /nfs/dbraw/zinc/13/71/71/1181137171.db2.gz IUBGJLUSZSZVRI-SFHVURJKSA-N 2 0 347.503 2.344 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502268 1181579146 /nfs/dbraw/zinc/57/91/46/1181579146.db2.gz KCRKPMRBYRRQDM-DLBZAZTESA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063218 1181649924 /nfs/dbraw/zinc/64/99/24/1181649924.db2.gz JHUDSEJYWXNMBX-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001268269173 1182117449 /nfs/dbraw/zinc/11/74/49/1182117449.db2.gz LMXJJURDNQNTSB-DLBZAZTESA-N 2 0 325.472 2.145 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001268288304 1182170947 /nfs/dbraw/zinc/17/09/47/1182170947.db2.gz RAKBAMDWEFVEJD-GJZGRUSLSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCCCC(F)(F)F)C1)C1CCC1 ZINC001481689736 1182212869 /nfs/dbraw/zinc/21/28/69/1182212869.db2.gz QWQPCWYIYQRDGP-ZDUSSCGKSA-N 2 0 335.414 2.394 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268365182 1182337670 /nfs/dbraw/zinc/33/76/70/1182337670.db2.gz COFOACFIMWBHBM-JFIYKMOQSA-N 2 0 347.503 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2)C1 ZINC001268392266 1182457406 /nfs/dbraw/zinc/45/74/06/1182457406.db2.gz KZWCSAXFPQRGGM-SJLPKXTDSA-N 2 0 332.492 2.188 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268417042 1182578329 /nfs/dbraw/zinc/57/83/29/1182578329.db2.gz YGVHTCMRUNWBLL-HNNXBMFYSA-N 2 0 333.451 2.236 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001268422672 1182588747 /nfs/dbraw/zinc/58/87/47/1182588747.db2.gz GMLXVFYSNWIVMH-OAHLLOKOSA-N 2 0 337.895 2.463 10 0 EEAERP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001481773944 1182667412 /nfs/dbraw/zinc/66/74/12/1182667412.db2.gz GFDWWQRGHJCLFH-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCO[C@@H](C)C1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268468394 1182807243 /nfs/dbraw/zinc/80/72/43/1182807243.db2.gz DHLBFSOZLADJDE-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001481933136 1182980963 /nfs/dbraw/zinc/98/09/63/1182980963.db2.gz XQFDRQIMBSZBQE-MJGOQNOKSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001481939513 1182996555 /nfs/dbraw/zinc/99/65/55/1182996555.db2.gz OTMBGSHOIGBFLZ-DVVGSYHKSA-N 2 0 327.900 2.344 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]CCO)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001481960045 1183040414 /nfs/dbraw/zinc/04/04/14/1183040414.db2.gz FMURUEYCCKFVTO-OXJNMPFZSA-N 2 0 347.503 2.009 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001481974752 1183070213 /nfs/dbraw/zinc/07/02/13/1183070213.db2.gz LVIYJUKNVUXVSX-MJGOQNOKSA-N 2 0 333.520 2.347 10 0 EEAERP CO[C@H](C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001268579134 1183347728 /nfs/dbraw/zinc/34/77/28/1183347728.db2.gz ONXGKHAQPRFXNG-AWTIPJNISA-N 2 0 345.487 2.120 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cccc(Cl)n1 ZINC001482131102 1183379139 /nfs/dbraw/zinc/37/91/39/1183379139.db2.gz KBGYFAAFCBFBJA-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001268639279 1183568196 /nfs/dbraw/zinc/56/81/96/1183568196.db2.gz GHNMZZSKIDDQOA-FBTZPIFKSA-N 2 0 345.487 2.287 10 0 EEAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268792722 1183706893 /nfs/dbraw/zinc/70/68/93/1183706893.db2.gz CBMABRUNMYAHNU-LJQANCHMSA-N 2 0 329.488 2.275 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C12CCC[NH+]1CCC2 ZINC001268804590 1183719063 /nfs/dbraw/zinc/71/90/63/1183719063.db2.gz GPMFGADBESBEDN-KURKYZTESA-N 2 0 333.520 2.489 10 0 EEAERP CC1CC[NH+](CC(=O)NCC2C[NH+](CCCCC(F)(F)F)C2)CC1 ZINC001268891441 1183795535 /nfs/dbraw/zinc/79/55/35/1183795535.db2.gz BQUUEPOPBNHNHP-UHFFFAOYSA-N 2 0 349.441 2.499 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+]1CCCC1 ZINC001269149345 1184003245 /nfs/dbraw/zinc/00/32/45/1184003245.db2.gz PYOPOTFYYOYKRY-IDSJHHPBSA-N 2 0 327.900 2.344 10 0 EEAERP CC[C@@H](CNC(=O)CCc1cncn1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001269503165 1184325556 /nfs/dbraw/zinc/32/55/56/1184325556.db2.gz PORTXOVGMZTJFW-AWEZNQCLSA-N 2 0 349.866 2.086 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001269509649 1184338422 /nfs/dbraw/zinc/33/84/22/1184338422.db2.gz LDQSAMDNUPROJZ-FUHWJXTLSA-N 2 0 335.467 2.194 10 0 EEAERP CCOCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001269572411 1184402648 /nfs/dbraw/zinc/40/26/48/1184402648.db2.gz RYPDIRWMGBUKSH-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282549 1185045374 /nfs/dbraw/zinc/04/53/74/1185045374.db2.gz ADDQSXNKIXIECF-HDMKZQKVSA-N 2 0 335.467 2.411 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001482282645 1185046070 /nfs/dbraw/zinc/04/60/70/1185046070.db2.gz BRVPMXCEQDLUPY-NJZAAPMLSA-N 2 0 338.521 2.037 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284677 1185064076 /nfs/dbraw/zinc/06/40/76/1185064076.db2.gz QIVGWVQDCNGORS-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CC=C(Cl)Cl ZINC001270444606 1185103114 /nfs/dbraw/zinc/10/31/14/1185103114.db2.gz ZNCZSLZLQDRCOB-GFCCVEGCSA-N 2 0 334.291 2.276 10 0 EEAERP C[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001270805204 1185404263 /nfs/dbraw/zinc/40/42/63/1185404263.db2.gz IJROAOPEBFFBAN-AEFFLSMTSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001482386941 1185587234 /nfs/dbraw/zinc/58/72/34/1185587234.db2.gz JRDLYDXXMVWLMH-DOTOQJQBSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001271012700 1185810478 /nfs/dbraw/zinc/81/04/78/1185810478.db2.gz HXTKAFNVTNHSSN-CXAGYDPISA-N 2 0 341.446 2.284 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2=CCCCC2)CCOCC1 ZINC001271079492 1185864325 /nfs/dbraw/zinc/86/43/25/1185864325.db2.gz HYUCVHZEVMFUDK-UHFFFAOYSA-N 2 0 349.519 2.228 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001271628688 1186342867 /nfs/dbraw/zinc/34/28/67/1186342867.db2.gz IYDOKPJODQBBPW-CVEARBPZSA-N 2 0 349.544 2.459 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001271677965 1186371099 /nfs/dbraw/zinc/37/10/99/1186371099.db2.gz PIJBYXKEUXDZDF-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C[NH2+]CCF ZINC001482501781 1186418587 /nfs/dbraw/zinc/41/85/87/1186418587.db2.gz UAFCTOGLBNRKLF-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP COCCC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001271860642 1186560013 /nfs/dbraw/zinc/56/00/13/1186560013.db2.gz JEJNFIOIQQEEBG-QGZVFWFLSA-N 2 0 332.448 2.023 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001280442737 1187388263 /nfs/dbraw/zinc/38/82/63/1187388263.db2.gz DPHQAMGFFOZCGD-CQSZACIVSA-N 2 0 335.414 2.394 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001482832513 1187752664 /nfs/dbraw/zinc/75/26/64/1187752664.db2.gz FQRDRQIMWNGWDA-VNQPRFMTSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001482834356 1187753842 /nfs/dbraw/zinc/75/38/42/1187753842.db2.gz UPVLIQIHPKGCJX-HNNXBMFYSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CC[NH2+]Cc1noc2c1CCCC2)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840743 1187759876 /nfs/dbraw/zinc/75/98/76/1187759876.db2.gz ZQNORVVGLMSRNM-CQSZACIVSA-N 2 0 348.491 2.022 10 0 EEAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482854644 1187776939 /nfs/dbraw/zinc/77/69/39/1187776939.db2.gz MRWBNPRXCBLEQK-HNNXBMFYSA-N 2 0 329.448 2.411 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)on1 ZINC001482879992 1187788188 /nfs/dbraw/zinc/78/81/88/1187788188.db2.gz GEIUZWISKFPKKS-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482871545 1187791315 /nfs/dbraw/zinc/79/13/15/1187791315.db2.gz PEIKJPJQQJPDEO-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483026917 1188032742 /nfs/dbraw/zinc/03/27/42/1188032742.db2.gz SRNQLIFJQOKMHA-WRFKIARRSA-N 2 0 333.451 2.380 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001483060554 1188355020 /nfs/dbraw/zinc/35/50/20/1188355020.db2.gz MIGPJXWNEPCNAQ-ZBKUBXTQSA-N 2 0 333.451 2.415 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1 ZINC001483099449 1188477511 /nfs/dbraw/zinc/47/75/11/1188477511.db2.gz YIJCGTVIDZLNCT-SNAWJCMRSA-N 2 0 340.471 2.337 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1 ZINC001272838337 1193571545 /nfs/dbraw/zinc/57/15/45/1193571545.db2.gz VZJDBKVLCIVGEE-LERXQTSPSA-N 2 0 347.488 2.271 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001272863899 1193582917 /nfs/dbraw/zinc/58/29/17/1193582917.db2.gz CKCFORIRBOYARM-DZGCQCFKSA-N 2 0 332.448 2.152 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCc3nccn3C2)c1 ZINC001272874561 1193587760 /nfs/dbraw/zinc/58/77/60/1193587760.db2.gz XANUQPPTRGYVET-FUHWJXTLSA-N 2 0 340.471 2.439 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001485875510 1193627281 /nfs/dbraw/zinc/62/72/81/1193627281.db2.gz PGAHGZSWOMCIST-YJBOKZPZSA-N 2 0 347.478 2.147 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCc1ccccc1F ZINC001485893624 1193632425 /nfs/dbraw/zinc/63/24/25/1193632425.db2.gz WGRMZIJQPIJAOX-CRAIPNDOSA-N 2 0 335.467 2.289 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001485947730 1193645041 /nfs/dbraw/zinc/64/50/41/1193645041.db2.gz RMYTZPUJPSCLIA-DYVFJYSZSA-N 2 0 341.446 2.488 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1cc(-c2ccccc2)no1 ZINC001409633190 1190133660 /nfs/dbraw/zinc/13/36/60/1190133660.db2.gz SLASDGBNRMFBGL-HNNXBMFYSA-N 2 0 344.459 2.230 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)Cc2cnccc2C)C1 ZINC001483375812 1190416371 /nfs/dbraw/zinc/41/63/71/1190416371.db2.gz ARJDBTGYANECHL-ROUUACIJSA-N 2 0 346.519 2.449 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)cc1C ZINC001483384915 1190433898 /nfs/dbraw/zinc/43/38/98/1190433898.db2.gz SUTLLFIASBTGSP-DOTOQJQBSA-N 2 0 347.503 2.282 10 0 EEAERP CN(CCC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456440 1190484957 /nfs/dbraw/zinc/48/49/57/1190484957.db2.gz WINZBZWBZNANNW-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1c(C)noc1C)C1CC1 ZINC001483563028 1190552091 /nfs/dbraw/zinc/55/20/91/1190552091.db2.gz FUDQQOYVTXWDNV-ROUUACIJSA-N 2 0 348.491 2.150 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC001483620766 1190602821 /nfs/dbraw/zinc/60/28/21/1190602821.db2.gz MIFOMBUMCMUSMD-PBHICJAKSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)c1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001483759258 1190986329 /nfs/dbraw/zinc/98/63/29/1190986329.db2.gz AWIZEIHPFFQCSS-SFHVURJKSA-N 2 0 344.503 2.428 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001483794132 1191033242 /nfs/dbraw/zinc/03/32/42/1191033242.db2.gz DPFHWIGESPKJBW-QGZVFWFLSA-N 2 0 333.451 2.392 10 0 EEAERP O=C(NCC1([NH2+]C[C@H]2CCCC(F)(F)C2)CC1)C12CC[NH+](CC1)C2 ZINC001483782645 1191035489 /nfs/dbraw/zinc/03/54/89/1191035489.db2.gz CSTINIYYGVHFJA-AWEZNQCLSA-N 2 0 341.446 2.146 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001483912278 1191113835 /nfs/dbraw/zinc/11/38/35/1191113835.db2.gz OQBVMKILPKUNPZ-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1nocc1C[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001483966700 1191134997 /nfs/dbraw/zinc/13/49/97/1191134997.db2.gz AOECDIDHOYWGRD-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CCCC1 ZINC001484015048 1191156309 /nfs/dbraw/zinc/15/63/09/1191156309.db2.gz VEFMBKIKAKTBNP-INIZCTEOSA-N 2 0 338.521 2.248 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCc2cccs2)C1 ZINC001484084010 1191205604 /nfs/dbraw/zinc/20/56/04/1191205604.db2.gz UHELHEFQRYNBMJ-WMZOPIPTSA-N 2 0 335.517 2.213 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCOCC1)[NH+](C)C ZINC001484184787 1191263517 /nfs/dbraw/zinc/26/35/17/1191263517.db2.gz AHCXIRPRCJMMRE-SFHVURJKSA-N 2 0 347.503 2.028 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001484359613 1191315361 /nfs/dbraw/zinc/31/53/61/1191315361.db2.gz XDUVDVBIFKDULB-RDJZCZTQSA-N 2 0 335.467 2.493 10 0 EEAERP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001484692010 1191468826 /nfs/dbraw/zinc/46/88/26/1191468826.db2.gz AYSTWIFNGJBJOE-KRWDZBQOSA-N 2 0 341.540 2.218 10 0 EEAERP CCC1([NH2+]CCCCOC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819575 1191539437 /nfs/dbraw/zinc/53/94/37/1191539437.db2.gz RBMQTRWRCNHBMG-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001484897507 1191567910 /nfs/dbraw/zinc/56/79/10/1191567910.db2.gz MXYYBDGFGNVBPQ-BLLLJJGKSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)CCN2CCOCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001484979312 1191605658 /nfs/dbraw/zinc/60/56/58/1191605658.db2.gz FQDIJZNWMJXZTO-HKUYNNGSSA-N 2 0 349.519 2.178 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC001485077232 1191645691 /nfs/dbraw/zinc/64/56/91/1191645691.db2.gz NWQKMEYCIGQBMU-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncoc1C[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001485242316 1191706505 /nfs/dbraw/zinc/70/65/05/1191706505.db2.gz YPUZEBHOQFIXLH-UHFFFAOYSA-N 2 0 348.491 2.184 10 0 EEAERP COC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485513640 1191816564 /nfs/dbraw/zinc/81/65/64/1191816564.db2.gz UQTJBTOQIWEPHO-GJZGRUSLSA-N 2 0 339.524 2.111 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC[C@H]2CCCO2)CC3)CC1 ZINC001486149207 1193699928 /nfs/dbraw/zinc/69/99/28/1193699928.db2.gz OOIFRKSTOXBBQL-UWVAXJGDSA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001486221618 1193759029 /nfs/dbraw/zinc/75/90/29/1193759029.db2.gz UWVYXYHKKFEISJ-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001486236118 1193762153 /nfs/dbraw/zinc/76/21/53/1193762153.db2.gz MLVANKUIMXENQK-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001486252757 1193779698 /nfs/dbraw/zinc/77/96/98/1193779698.db2.gz IIZZPDPPGXKJJF-TZMCWYRMSA-N 2 0 335.414 2.107 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001486410627 1193919283 /nfs/dbraw/zinc/91/92/83/1193919283.db2.gz MFWMIXQPOJMFHB-QAPCUYQASA-N 2 0 346.519 2.352 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001486481218 1193995439 /nfs/dbraw/zinc/99/54/39/1193995439.db2.gz FPJGROQDIQYWOU-JCYILVPMSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CC(=O)NCC1=CC[N@H+](CC[C@H]2CCOC2)CC1)n1ccnc1 ZINC001486516187 1194022162 /nfs/dbraw/zinc/02/21/62/1194022162.db2.gz BTOMUMPHXCMNGI-AEFFLSMTSA-N 2 0 346.475 2.009 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1c(F)cccc1F)[NH+](C)C ZINC001273123607 1194407170 /nfs/dbraw/zinc/40/71/70/1194407170.db2.gz XRZMKECJFGFEJS-BLLLJJGKSA-N 2 0 327.419 2.289 10 0 EEAERP COc1c(N)ncnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702317064 1195847397 /nfs/dbraw/zinc/84/73/97/1195847397.db2.gz RKEHTWYUMLUPPG-HNAYVOBHSA-N 2 0 339.443 2.026 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001410392897 1197793813 /nfs/dbraw/zinc/79/38/13/1197793813.db2.gz VALGWEWLAYPMTR-FUHWJXTLSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001410412564 1197828996 /nfs/dbraw/zinc/82/89/96/1197828996.db2.gz GUGSPSKROTYCCN-LSDHHAIUSA-N 2 0 343.462 2.487 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001273308774 1198014048 /nfs/dbraw/zinc/01/40/48/1198014048.db2.gz PQVLKYLVYTXGKR-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H](N)C[NH+](C)C)n1 ZINC000872177814 1198072570 /nfs/dbraw/zinc/07/25/70/1198072570.db2.gz GXMDMEYQMHACBQ-HNNXBMFYSA-N 2 0 347.463 2.019 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC001410849913 1198500408 /nfs/dbraw/zinc/50/04/08/1198500408.db2.gz LNSRZOFYTRYXMY-RDJZCZTQSA-N 2 0 349.523 2.057 10 0 EEAERP c1ncn(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccn2)n1 ZINC000873236444 1198537940 /nfs/dbraw/zinc/53/79/40/1198537940.db2.gz BCQUBDWJQVULRB-GVDBMIGSSA-N 2 0 326.448 2.063 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001410962424 1198635611 /nfs/dbraw/zinc/63/56/11/1198635611.db2.gz RZJHPOUQXHZLKS-HOTGVXAUSA-N 2 0 336.480 2.006 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C/C=C/c2ccccc2)C(C)(C)C1 ZINC001410980723 1198657163 /nfs/dbraw/zinc/65/71/63/1198657163.db2.gz JXSBUQBBUVAZMB-VEGGFIAOSA-N 2 0 329.488 2.478 10 0 EEAERP COC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001411239728 1198955544 /nfs/dbraw/zinc/95/55/44/1198955544.db2.gz UHZNIMRJEVXNTI-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC1(C2CC[NH+](CC[C@@H](C)F)CC2)CC1)[NH+](C)C ZINC001411251215 1198974445 /nfs/dbraw/zinc/97/44/45/1198974445.db2.gz DRALRLMQAYRJJS-GDBMZVCRSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cccnc3s2)C[C@H]1C[NH+](C)C ZINC000870017258 1200409652 /nfs/dbraw/zinc/40/96/52/1200409652.db2.gz KPELJCJVVMSHKT-HUUCEWRRSA-N 2 0 346.500 2.108 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@H]1C[NH+](C)C ZINC000870022253 1200412138 /nfs/dbraw/zinc/41/21/38/1200412138.db2.gz PXQJZAMMERMTMK-HZPDHXFCSA-N 2 0 339.430 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H]1C[NH+](C)C ZINC000870024749 1200414077 /nfs/dbraw/zinc/41/40/77/1200414077.db2.gz IMOLSQDNSBUUAY-HUUCEWRRSA-N 2 0 346.500 2.108 10 0 EEAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC000870973130 1200983676 /nfs/dbraw/zinc/98/36/76/1200983676.db2.gz KFRUTGZATYQOKW-RUGDWHBFSA-N 2 0 327.472 2.326 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000813072406 1201098868 /nfs/dbraw/zinc/09/88/68/1201098868.db2.gz GQKVDLYJIGMCKM-DAYGRLMNSA-N 2 0 325.472 2.142 10 0 EEAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000866702254 1201583626 /nfs/dbraw/zinc/58/36/26/1201583626.db2.gz ZBSWFCNGWWKXJA-YTQUADARSA-N 2 0 325.456 2.216 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000866711267 1201586749 /nfs/dbraw/zinc/58/67/49/1201586749.db2.gz GNYPRAURCWITHP-SPUZQDLCSA-N 2 0 345.418 2.070 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)CC(C)C ZINC000868352429 1201796296 /nfs/dbraw/zinc/79/62/96/1201796296.db2.gz DQMOZEVQHKZGSO-FGTMMUONSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCO1)[NH+]1CCCCCC1 ZINC001274412022 1205026018 /nfs/dbraw/zinc/02/60/18/1205026018.db2.gz CCYXCUXYOSWRPS-ZLKFPQNLSA-N 2 0 337.508 2.082 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001274498859 1205058328 /nfs/dbraw/zinc/05/83/28/1205058328.db2.gz RDMWVHGFZNSOCC-WOMSROEHSA-N 2 0 335.879 2.444 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274577589 1205085365 /nfs/dbraw/zinc/08/53/65/1205085365.db2.gz BDVSMTQXQCXMDS-OWOJBTEDSA-N 2 0 327.472 2.033 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001275179854 1205275973 /nfs/dbraw/zinc/27/59/73/1205275973.db2.gz NTCPFPLMFDEGRI-YJBOKZPZSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275446054 1205364254 /nfs/dbraw/zinc/36/42/54/1205364254.db2.gz XLFCGXBCGTUXDB-AIROSISHSA-N 2 0 335.879 2.399 10 0 EEAERP C[C@@H]([NH2+]CCCOc1ccccc1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275482998 1205380155 /nfs/dbraw/zinc/38/01/55/1205380155.db2.gz XXGOKNQTBUMNHL-SJORKVTESA-N 2 0 347.503 2.280 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001411806981 1205531618 /nfs/dbraw/zinc/53/16/18/1205531618.db2.gz LUKGVWUTYMCSKE-NXHRZFHOSA-N 2 0 346.523 2.134 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)c1sccc1C[NH+](C)C ZINC001276034122 1205643972 /nfs/dbraw/zinc/64/39/72/1205643972.db2.gz IZRPXPDJJUQERK-UHFFFAOYSA-N 2 0 346.500 2.457 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC001276190654 1205825632 /nfs/dbraw/zinc/82/56/32/1205825632.db2.gz TUPWCCMAPAFBBW-ULQDDVLXSA-N 2 0 347.507 2.014 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001276271413 1205863236 /nfs/dbraw/zinc/86/32/36/1205863236.db2.gz GOAFRARNQSVUDY-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@]12C[C@H]1CCCC2 ZINC000924357866 1205963548 /nfs/dbraw/zinc/96/35/48/1205963548.db2.gz MIHCBSOHSBOZSQ-MJGOQNOKSA-N 2 0 338.540 2.482 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cn2)CC1 ZINC000924624935 1206006082 /nfs/dbraw/zinc/00/60/82/1206006082.db2.gz DDTLOPWOXQSDOK-UYAOXDASSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925331878 1206098128 /nfs/dbraw/zinc/09/81/28/1206098128.db2.gz XWEQVCKDTCFHLM-APWZRJJASA-N 2 0 344.503 2.385 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925664776 1206141727 /nfs/dbraw/zinc/14/17/27/1206141727.db2.gz AQVCYDXNCWHOET-MGPQQGTHSA-N 2 0 325.250 2.342 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000925816413 1206157107 /nfs/dbraw/zinc/15/71/07/1206157107.db2.gz GQOVQJDUSJAURQ-KXBFYZLASA-N 2 0 335.467 2.306 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)CC12CC[NH2+]CC2 ZINC000925848878 1206160223 /nfs/dbraw/zinc/16/02/23/1206160223.db2.gz FBFXDZCGCZKHMS-RDJZCZTQSA-N 2 0 330.428 2.045 10 0 EEAERP O=C1O[C@@H](C[NH2+]C2CCc3ccccc3CC2)CC12CC[NH2+]CC2 ZINC000925849848 1206160409 /nfs/dbraw/zinc/16/04/09/1206160409.db2.gz QVRPPIRYVGAKIJ-GOSISDBHSA-N 2 0 328.456 2.209 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849352 1206160493 /nfs/dbraw/zinc/16/04/93/1206160493.db2.gz IOHPIESBCOEUHF-SJORKVTESA-N 2 0 329.444 2.198 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)CC12CC[NH2+]CC2 ZINC000925853768 1206161338 /nfs/dbraw/zinc/16/13/38/1206161338.db2.gz REOWOOZASWEUEW-NVXWUHKLSA-N 2 0 346.496 2.292 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(CC)CC ZINC000925858048 1206162031 /nfs/dbraw/zinc/16/20/31/1206162031.db2.gz RRTSCQFPQSQPBH-ARFHVFGLSA-N 2 0 338.492 2.245 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)c(F)c(F)c1 ZINC000925857427 1206162205 /nfs/dbraw/zinc/16/22/05/1206162205.db2.gz VHAPJVTXPVOHLJ-JQWIXIFHSA-N 2 0 342.361 2.440 10 0 EEAERP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1OCC(=O)N(C)C ZINC000925876744 1206163214 /nfs/dbraw/zinc/16/32/14/1206163214.db2.gz HEDZPLUTNLQMHJ-VYDXJSESSA-N 2 0 333.476 2.322 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)C(=O)NCC[NH+](C)C ZINC000925954403 1206174011 /nfs/dbraw/zinc/17/40/11/1206174011.db2.gz NODMCSHKKRRHRW-GUYCJALGSA-N 2 0 339.455 2.274 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000926282850 1206210799 /nfs/dbraw/zinc/21/07/99/1206210799.db2.gz VKQMNGMGMNJYDR-OCZCAGDBSA-N 2 0 342.892 2.173 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930170383 1206539012 /nfs/dbraw/zinc/53/90/12/1206539012.db2.gz ZZXYWNKTQFGTHZ-HOJAQTOUSA-N 2 0 345.487 2.424 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC[C@H](O)c1ccccc1)C2 ZINC000930602747 1206569877 /nfs/dbraw/zinc/56/98/77/1206569877.db2.gz ZIYBIORJRLGPNI-HSALFYBXSA-N 2 0 332.488 2.279 10 0 EEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H](O)C1(O)CCCC1)C2 ZINC000931612865 1207425853 /nfs/dbraw/zinc/42/58/53/1207425853.db2.gz KCBZDNPUZXICKA-AABGKKOBSA-N 2 0 344.499 2.106 10 0 EEAERP COC1(OC)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000931638466 1207430741 /nfs/dbraw/zinc/43/07/41/1207430741.db2.gz PULLLYDHRXNAJD-IBGZPJMESA-N 2 0 348.487 2.228 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)C[C@]2(C)C1 ZINC000933732599 1207828481 /nfs/dbraw/zinc/82/84/81/1207828481.db2.gz UGRZFWYEVJJYJL-HQRMLTQVSA-N 2 0 327.472 2.032 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000718019955 1211702731 /nfs/dbraw/zinc/70/27/31/1211702731.db2.gz MDSXCTWKMPNTJI-UYAOXDASSA-N 3 0 345.531 2.476 10 0 EEAERP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001276333181 1215753870 /nfs/dbraw/zinc/75/38/70/1215753870.db2.gz PNXSNOMVVPYPAD-OAHLLOKOSA-N 2 0 338.883 2.015 10 0 EEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C12CC[NH+](CC1)C2 ZINC000901064273 1235177001 /nfs/dbraw/zinc/17/70/01/1235177001.db2.gz OBWDBWRMYKVYEW-IRXDYDNUSA-N 2 0 341.499 2.355 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902745455 1238380831 /nfs/dbraw/zinc/38/08/31/1238380831.db2.gz OJMXALAETQPMAV-PKOBYXMFSA-N 2 0 331.504 2.243 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902789161 1238534000 /nfs/dbraw/zinc/53/40/00/1238534000.db2.gz CWMXWNWTMLDUHK-WSTZPKSXSA-N 2 0 345.531 2.489 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902948526 1239163873 /nfs/dbraw/zinc/16/38/73/1239163873.db2.gz SYAIMIHHFBBRRV-ZZAJFKAYSA-N 2 0 342.483 2.156 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(Cl)ccc1OC)C2 ZINC000903493693 1240661701 /nfs/dbraw/zinc/66/17/01/1240661701.db2.gz ZXRPAQGTOBMWLP-QEORTHHSSA-N 2 0 338.835 2.061 10 0 EEAERP C[C@H](OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903497199 1240676659 /nfs/dbraw/zinc/67/66/59/1240676659.db2.gz PZBQTGRNZMZLGO-ZIFCJYIRSA-N 2 0 347.503 2.187 10 0 EEAERP CC(C)(C)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)no1 ZINC000903506933 1240721172 /nfs/dbraw/zinc/72/11/72/1240721172.db2.gz GCASVFNMMYZBNN-CALCHBBNSA-N 2 0 332.492 2.373 10 0 EEAERP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)OCCO2 ZINC000903717982 1241708271 /nfs/dbraw/zinc/70/82/71/1241708271.db2.gz GTUREIGNFUMNRJ-ABSDTBQOSA-N 2 0 344.455 2.363 10 0 EEAERP c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C[C@H]1CCCN21 ZINC000903784476 1241953174 /nfs/dbraw/zinc/95/31/74/1241953174.db2.gz PWBYGRPSJXXGHO-QWFCFKBJSA-N 2 0 327.472 2.240 10 0 EEAERP c1ccc2c(c1)[C@H](C[C@H]1COCC[NH2+]1)CN2C[C@H]1CCCC[NH2+]C1 ZINC000903788276 1241965579 /nfs/dbraw/zinc/96/55/79/1241965579.db2.gz HLVGYOHLVJTSCT-KSZLIROESA-N 2 0 329.488 2.358 10 0 EEAERP O=C(NCc1ccccc1)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903932901 1242556367 /nfs/dbraw/zinc/55/63/67/1242556367.db2.gz XEQUBPITUQHMRI-MSRNWOCLSA-N 2 0 327.472 2.155 10 0 EEAERP C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937286 1242584698 /nfs/dbraw/zinc/58/46/98/1242584698.db2.gz HCELBPWLGABDQL-YCXXCVGLSA-N 2 0 329.444 2.474 10 0 EEAERP COC(=O)c1ccc(OC)c2c1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903937631 1242585417 /nfs/dbraw/zinc/58/54/17/1242585417.db2.gz OJPJHZWDAHVEMJ-GOOCMWNKSA-N 2 0 344.455 2.371 10 0 EEAERP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903963858 1242754264 /nfs/dbraw/zinc/75/42/64/1242754264.db2.gz HWYOOSOGASKNME-UHIISALHSA-N 2 0 345.365 2.500 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001491084570 1258649505 /nfs/dbraw/zinc/64/95/05/1258649505.db2.gz AMDOZQCYYAXSMW-FGTMMUONSA-N 2 0 337.508 2.058 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001491086193 1258650967 /nfs/dbraw/zinc/65/09/67/1258650967.db2.gz VQOSFLYPRNYFAU-GASCZTMLSA-N 2 0 336.505 2.146 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491112433 1258689793 /nfs/dbraw/zinc/68/97/93/1258689793.db2.gz ZBAMPHYBDBXQEC-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC001491234897 1258822098 /nfs/dbraw/zinc/82/20/98/1258822098.db2.gz OGYRQLSOKHUWIZ-DLBZAZTESA-N 2 0 348.491 2.048 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC001491234899 1258822248 /nfs/dbraw/zinc/82/22/48/1258822248.db2.gz OGYRQLSOKHUWIZ-IRXDYDNUSA-N 2 0 348.491 2.048 10 0 EEAERP C[C@@H](CNC(=O)CCc1c[nH]cn1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001491478073 1259128634 /nfs/dbraw/zinc/12/86/34/1259128634.db2.gz YCURIUCMZSGVTJ-WDEREUQCSA-N 2 0 333.263 2.021 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001491505679 1259155910 /nfs/dbraw/zinc/15/59/10/1259155910.db2.gz OSLUTGYWJAVOTO-ZFWWWQNUSA-N 2 0 331.451 2.391 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273457617 1278447249 /nfs/dbraw/zinc/44/72/49/1278447249.db2.gz KIJJIWXSGOXYOS-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP Cn1c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cnc1Cl ZINC000850344054 1277186123 /nfs/dbraw/zinc/18/61/23/1277186123.db2.gz AKNHZBRNYJVLFS-UHFFFAOYSA-N 2 0 326.872 2.054 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001273689624 1283403437 /nfs/dbraw/zinc/40/34/37/1283403437.db2.gz YRMYYHSBZSFLDN-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CCC2)CC1 ZINC001489083292 1290365022 /nfs/dbraw/zinc/36/50/22/1290365022.db2.gz CLLHCQBHEKYJBD-OKYOBFRVSA-N 2 0 345.531 2.297 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001490618704 1291529082 /nfs/dbraw/zinc/52/90/82/1291529082.db2.gz PBHXHRVWVDBBAE-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC001490680218 1291563167 /nfs/dbraw/zinc/56/31/67/1291563167.db2.gz UKMXUGJUIBTNER-MOPGFXCFSA-N 2 0 329.488 2.464 10 0 EEAERP Cc1cccc(C)c1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000853870434 1292500840 /nfs/dbraw/zinc/50/08/40/1292500840.db2.gz AANVOLKTLPQGFJ-KRWDZBQOSA-N 2 0 334.508 2.375 10 0 EEAERP Cn1nccc1[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000927126943 1297028385 /nfs/dbraw/zinc/02/83/85/1297028385.db2.gz PEYJJHSVXOWCHW-CGBFIWBNSA-N 2 0 340.471 2.096 10 0 EEAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931367910 1297162367 /nfs/dbraw/zinc/16/23/67/1297162367.db2.gz DXHWWXJCCBAAOV-HZPDHXFCSA-N 2 0 328.460 2.199 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CCC2CC2)C1)C12CCC[NH+](CCC1)C2 ZINC001491161437 1299643625 /nfs/dbraw/zinc/64/36/25/1299643625.db2.gz YJJBWTUMZFJTNV-SFHVURJKSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001277040045 1300984376 /nfs/dbraw/zinc/98/43/76/1300984376.db2.gz QIDVEEDNXKABIW-KESTWPANSA-N 2 0 343.515 2.364 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCCC(F)(F)F)CC2)CCC1 ZINC001277080024 1301183651 /nfs/dbraw/zinc/18/36/51/1301183651.db2.gz NYCYIIBOMFPWLR-UHFFFAOYSA-N 2 0 335.414 2.442 10 0 EEAERP C[C@H](CCC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001277210763 1301836751 /nfs/dbraw/zinc/83/67/51/1301836751.db2.gz QFHGHFANXFSUDL-CVEARBPZSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccccc1N(C)C ZINC001491549279 1302070526 /nfs/dbraw/zinc/07/05/26/1302070526.db2.gz STGQUKOELJRPOM-INIZCTEOSA-N 2 0 346.519 2.221 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1C ZINC001277264121 1302071976 /nfs/dbraw/zinc/07/19/76/1302071976.db2.gz NOMMBPVXAGODLF-CRAIPNDOSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(F)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001277355110 1302607418 /nfs/dbraw/zinc/60/74/18/1302607418.db2.gz AHBCLGDFSOQIKN-AWEZNQCLSA-N 2 0 339.430 2.435 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001277475027 1303569935 /nfs/dbraw/zinc/56/99/35/1303569935.db2.gz WRKGPGYUNZWQTL-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCCCOC)CC2)[NH+](C)C ZINC001277490600 1303650645 /nfs/dbraw/zinc/65/06/45/1303650645.db2.gz UIJMYIZXOKIEOK-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCOCCNC(=O)C12CCC[NH+]1CCC2)CC1=CCCCC1 ZINC001277501150 1303703740 /nfs/dbraw/zinc/70/37/40/1303703740.db2.gz JCNMKVSHVVEIEK-UHFFFAOYSA-N 2 0 349.519 2.180 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)C1C[NH+](CCCCc2ccccc2)C1 ZINC001277686314 1304185337 /nfs/dbraw/zinc/18/53/37/1304185337.db2.gz HYXCUVJOLMSXOI-UHFFFAOYSA-N 2 0 340.471 2.426 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841755191 1315608768 /nfs/dbraw/zinc/60/87/68/1315608768.db2.gz XNRUDBTUFXCNKP-YJBOKZPZSA-N 2 0 336.524 2.328 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(CC[NH3+])cc2)cc(Cl)n1 ZINC000841847029 1315622277 /nfs/dbraw/zinc/62/22/77/1315622277.db2.gz GNHMLGFKICERPQ-INIZCTEOSA-N 2 0 346.862 2.251 10 0 EEAERP Cc1cc(C)cc(-n2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000843126305 1315848982 /nfs/dbraw/zinc/84/89/82/1315848982.db2.gz IPKBECNCUMKTRN-CALCHBBNSA-N 2 0 325.460 2.316 10 0 EEAERP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843388912 1315905436 /nfs/dbraw/zinc/90/54/36/1315905436.db2.gz DUWGJHBAPLPIEU-SUMDDJOVSA-N 2 0 339.524 2.290 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc(Cl)n1 ZINC000843489559 1315922911 /nfs/dbraw/zinc/92/29/11/1315922911.db2.gz HOUAVLSWKPIOHC-LSDHHAIUSA-N 2 0 338.883 2.232 10 0 EEAERP C[C@@]1(C[NH2+]CC[C@H]2CCCO2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278519566 1317127256 /nfs/dbraw/zinc/12/72/56/1317127256.db2.gz SKAPQQSCNLHIAQ-MJGOQNOKSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1CC[NH2+]CCCF ZINC001263957000 1322569423 /nfs/dbraw/zinc/56/94/23/1322569423.db2.gz YVCOUXNFAUUVHZ-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCOCC)[C@@H]2CC)C1 ZINC001264061042 1322602817 /nfs/dbraw/zinc/60/28/17/1322602817.db2.gz WBSDFXICUREOER-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001264675404 1322778158 /nfs/dbraw/zinc/77/81/58/1322778158.db2.gz DBZXVEHUKIZXQW-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001264683789 1322782513 /nfs/dbraw/zinc/78/25/13/1322782513.db2.gz MASPXKJJAKTHSF-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001265091478 1322915949 /nfs/dbraw/zinc/91/59/49/1322915949.db2.gz GZIVOBJFPOOAIG-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235613 1323001332 /nfs/dbraw/zinc/00/13/32/1323001332.db2.gz SSOOKXZPNMMGNY-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[N@H+]2CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001265594883 1323252208 /nfs/dbraw/zinc/25/22/08/1323252208.db2.gz MZDWVOGCXMQSQY-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCOC)c1ccccc1 ZINC001265687812 1323321744 /nfs/dbraw/zinc/32/17/44/1323321744.db2.gz HNGPFBHCMWPEPE-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001265718337 1323348979 /nfs/dbraw/zinc/34/89/79/1323348979.db2.gz LTECZFZWAUSHES-IECFSIQFSA-N 2 0 337.483 2.190 10 0 EEAERP CC(C)=CC[NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001265741773 1323359818 /nfs/dbraw/zinc/35/98/18/1323359818.db2.gz FRCLARBDLPQLRX-UHFFFAOYSA-N 2 0 337.508 2.080 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1F ZINC001265917421 1323484147 /nfs/dbraw/zinc/48/41/47/1323484147.db2.gz NVNOREHQNXFYCU-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CCc1cccc(C[N@H+](C)CCCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001265954224 1323516953 /nfs/dbraw/zinc/51/69/53/1323516953.db2.gz NFLBVIGBQMHJGK-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001265977331 1323536908 /nfs/dbraw/zinc/53/69/08/1323536908.db2.gz YBZNHNBZOIWZOL-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)no1 ZINC001266076150 1323631574 /nfs/dbraw/zinc/63/15/74/1323631574.db2.gz WGMFEKPWJXBIQK-JKSUJKDBSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ccccc1OCC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001279329449 1323876462 /nfs/dbraw/zinc/87/64/62/1323876462.db2.gz WGVQOYWTSUTOCQ-UHFFFAOYSA-N 2 0 347.503 2.293 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001280094704 1324083717 /nfs/dbraw/zinc/08/37/17/1324083717.db2.gz NMGBQZZTIDSWOK-UKRRQHHQSA-N 2 0 331.451 2.200 10 0 EEAERP COCC[NH2+][C@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001280355239 1324169272 /nfs/dbraw/zinc/16/92/72/1324169272.db2.gz ZLPCGCJLPHLGGT-QGZVFWFLSA-N 2 0 347.503 2.332 10 0 EEAERP Cc1c(C(=O)NCC2([NH2+]CCOC(C)C)CCC2)ccc2c[nH+]cn21 ZINC001280491333 1324253127 /nfs/dbraw/zinc/25/31/27/1324253127.db2.gz LSXZYKZJSUMSJM-UHFFFAOYSA-N 2 0 344.459 2.310 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCc1cccs1 ZINC001281457882 1325122529 /nfs/dbraw/zinc/12/25/29/1325122529.db2.gz MGFBKRPYUKIIJE-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001282606726 1325750924 /nfs/dbraw/zinc/75/09/24/1325750924.db2.gz BITYXISMEBRZTB-BZUAXINKSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1)[NH+]1CCCC1 ZINC001283111677 1325922612 /nfs/dbraw/zinc/92/26/12/1325922612.db2.gz UHBQHTWUDXGRCO-LUKYLMHMSA-N 2 0 327.488 2.339 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCCc2cccc(F)c2)CCN1C(=O)CC[NH+](C)C ZINC001283896918 1326307869 /nfs/dbraw/zinc/30/78/69/1326307869.db2.gz AYTWTVPWPBBHPW-CRAIPNDOSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCOC2CCC2)C(C)(C)C)C1 ZINC001284625703 1326636482 /nfs/dbraw/zinc/63/64/82/1326636482.db2.gz RNNXWIMRZSJISZ-NVXWUHKLSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001491636628 1330192422 /nfs/dbraw/zinc/19/24/22/1330192422.db2.gz FPCVKZOKKHNHBR-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887452 1330289906 /nfs/dbraw/zinc/28/99/06/1330289906.db2.gz YHFDSHGSBSBMIG-MSOLQXFVSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001491895166 1330293589 /nfs/dbraw/zinc/29/35/89/1330293589.db2.gz FBFGOILXSLWANQ-IAGOWNOFSA-N 2 0 348.491 2.376 10 0 EEAERP CC[C@@H](F)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001491899649 1330295678 /nfs/dbraw/zinc/29/56/78/1330295678.db2.gz KXAVQJYKUUMRSH-QZTJIDSGSA-N 2 0 335.467 2.277 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001492126894 1330980386 /nfs/dbraw/zinc/98/03/86/1330980386.db2.gz BRXVZOQXUBBJBD-HUUCEWRRSA-N 2 0 331.451 2.392 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001492165436 1331030221 /nfs/dbraw/zinc/03/02/21/1331030221.db2.gz VDIMXGBDLKAZGN-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCCc3cc[nH+]c(N)c3)C[N@@H+]2C1 ZINC001306093515 1331454395 /nfs/dbraw/zinc/45/43/95/1331454395.db2.gz AKBLPLPOOFKSPU-DJIMGWMZSA-N 2 0 330.476 2.223 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC001316856906 1331937615 /nfs/dbraw/zinc/93/76/15/1331937615.db2.gz MJKNEMKSKNAFDG-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001316986593 1332030642 /nfs/dbraw/zinc/03/06/42/1332030642.db2.gz QXARQJZUQZXDQN-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317050617 1332061019 /nfs/dbraw/zinc/06/10/19/1332061019.db2.gz ZTQOPPFRFQWAHJ-FGTMMUONSA-N 2 0 339.524 2.063 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOC(C)C)C1 ZINC001317058989 1332064682 /nfs/dbraw/zinc/06/46/82/1332064682.db2.gz MIMDQSHHZOSPPN-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC(C)C)[NH+](C)C ZINC001317094440 1332076497 /nfs/dbraw/zinc/07/64/97/1332076497.db2.gz OCTWCMPJFQGFAI-HQSKLWIPSA-N 2 0 339.524 2.111 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001317161356 1332106105 /nfs/dbraw/zinc/10/61/05/1332106105.db2.gz HBFNRSHVIMJOND-GOSISDBHSA-N 2 0 332.492 2.142 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001317326440 1332180401 /nfs/dbraw/zinc/18/04/01/1332180401.db2.gz PLFGBPAYUGOJSV-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317584385 1332308824 /nfs/dbraw/zinc/30/88/24/1332308824.db2.gz DLMFASOQHYPCPO-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cn1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317644889 1332345618 /nfs/dbraw/zinc/34/56/18/1332345618.db2.gz UTWHSQFDOBSBQE-UHFFFAOYSA-N 2 0 344.434 2.144 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001317943378 1332447980 /nfs/dbraw/zinc/44/79/80/1332447980.db2.gz IDVFTQZMHDRJSV-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001318780865 1332594832 /nfs/dbraw/zinc/59/48/32/1332594832.db2.gz LKUDUTOFXGFTLA-NVXWUHKLSA-N 2 0 348.491 2.050 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001318822692 1332604790 /nfs/dbraw/zinc/60/47/90/1332604790.db2.gz DHZIEXYYTXUWCW-FYUFSVPTSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001318831850 1332606896 /nfs/dbraw/zinc/60/68/96/1332606896.db2.gz YMVAVXCJFTXQCD-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCCc1cccc(F)c1 ZINC001319237815 1332669472 /nfs/dbraw/zinc/66/94/72/1332669472.db2.gz IZWUCUHFFUXGNY-MRXNPFEDSA-N 2 0 349.494 2.442 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1F ZINC001319269365 1332673169 /nfs/dbraw/zinc/67/31/69/1332673169.db2.gz HOKIMYCGBIVVIM-HZPDHXFCSA-N 2 0 335.467 2.052 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319280941 1332674445 /nfs/dbraw/zinc/67/44/45/1332674445.db2.gz AJRDZHBSIMFNHW-VQIMIIECSA-N 2 0 331.504 2.085 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCc1ccsc1 ZINC001319697525 1332745031 /nfs/dbraw/zinc/74/50/31/1332745031.db2.gz ULRZSVLRVHIQEW-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1c(C(=O)NC[C@H]([NH2+]CCC[C@H](C)O)C(C)C)ccc2c[nH+]cn21 ZINC001319922999 1332798409 /nfs/dbraw/zinc/79/84/09/1332798409.db2.gz VITOTCPCUPSDAK-KSSFIOAISA-N 2 0 346.475 2.148 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccc(F)cc2o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320371155 1332869509 /nfs/dbraw/zinc/86/95/09/1332869509.db2.gz JMCNHTBEGHZLJN-IUODEOHRSA-N 2 0 348.422 2.046 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464111 1332889685 /nfs/dbraw/zinc/88/96/85/1332889685.db2.gz LZJNPSKBXQILNG-BBRMVZONSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CC[NH2+]CC1CCOCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320562110 1332910600 /nfs/dbraw/zinc/91/06/00/1332910600.db2.gz IFIRNCDPRQWQPI-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001320634044 1332925840 /nfs/dbraw/zinc/92/58/40/1332925840.db2.gz MYXQQGAYRFXACT-FUHWJXTLSA-N 2 0 347.503 2.410 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001320863365 1332967378 /nfs/dbraw/zinc/96/73/78/1332967378.db2.gz QQNZEDQRTVERNF-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321249992 1333055470 /nfs/dbraw/zinc/05/54/70/1333055470.db2.gz MYNHZHPSHORAKO-XGRZMECZSA-N 2 0 331.451 2.209 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(C2CC2)cc1)C12CC[NH+](CC1)C2 ZINC001321336009 1333077741 /nfs/dbraw/zinc/07/77/41/1333077741.db2.gz IXSDYHLUUJTYDE-UPHRSURJSA-N 2 0 339.483 2.422 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338354 1333078397 /nfs/dbraw/zinc/07/83/97/1333078397.db2.gz RGPCNLAZDSQCBU-FAAWYNLUSA-N 2 0 331.435 2.245 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321755253 1333153157 /nfs/dbraw/zinc/15/31/57/1333153157.db2.gz ATHMBDFZRGPOQC-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001322337715 1333249381 /nfs/dbraw/zinc/24/93/81/1333249381.db2.gz NIBYCYAFQUXJNR-DLBZAZTESA-N 2 0 339.499 2.487 10 0 EEAERP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001322362181 1333254157 /nfs/dbraw/zinc/25/41/57/1333254157.db2.gz XNAAOZNJICMYCG-KGLIPLIRSA-N 2 0 347.425 2.299 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001322512467 1333274351 /nfs/dbraw/zinc/27/43/51/1333274351.db2.gz VJOZHOCXTSUPHM-GDBMZVCRSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cnccn1 ZINC001322590690 1333289341 /nfs/dbraw/zinc/28/93/41/1333289341.db2.gz HGPPXINMCPQDKE-SJLPKXTDSA-N 2 0 347.507 2.096 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCOCC1 ZINC001322723063 1333313902 /nfs/dbraw/zinc/31/39/02/1333313902.db2.gz HMCLVEZGNQCKAO-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001324081696 1333604310 /nfs/dbraw/zinc/60/43/10/1333604310.db2.gz PFLYWPKXLVOIAO-KBPBESRZSA-N 2 0 338.883 2.156 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001325029370 1333814507 /nfs/dbraw/zinc/81/45/07/1333814507.db2.gz UJNXKMHQFACFJX-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1)[NH+](C)C ZINC001326412410 1334088402 /nfs/dbraw/zinc/08/84/02/1334088402.db2.gz SKTWODAOXKDRJT-PKOBYXMFSA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001328017683 1334379617 /nfs/dbraw/zinc/37/96/17/1334379617.db2.gz OJRRXMWUXUQMGG-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330898639 1334923364 /nfs/dbraw/zinc/92/33/64/1334923364.db2.gz INGBJMFCQPQVKK-YCPHGPKFSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001331613550 1335045829 /nfs/dbraw/zinc/04/58/29/1335045829.db2.gz CWONKRIZQQSKLI-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332421136 1335821161 /nfs/dbraw/zinc/82/11/61/1335821161.db2.gz AGDWJIQEAQSIJN-GOSISDBHSA-N 2 0 349.494 2.347 10 0 EEAERP CCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001614011844 1352317778 /nfs/dbraw/zinc/31/77/78/1352317778.db2.gz ILKPHDCIYPSNDJ-UHFFFAOYSA-N 2 0 346.523 2.023 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001436330869 1342034564 /nfs/dbraw/zinc/03/45/64/1342034564.db2.gz NOOTTWJVPJUZCD-CABCVRRESA-N 2 0 343.462 2.296 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CCCCCF)C2)CC1 ZINC001500271414 1342125530 /nfs/dbraw/zinc/12/55/30/1342125530.db2.gz FKLXRAKGEAGLCS-SFHVURJKSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[NH2+]CCCOC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001506487031 1342243086 /nfs/dbraw/zinc/24/30/86/1342243086.db2.gz FRLYATDBYWUXEM-CALCHBBNSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CC[C@H]1CCCO1 ZINC001506588558 1342262894 /nfs/dbraw/zinc/26/28/94/1342262894.db2.gz YYTQDOZMFVCTMQ-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673238237 1356657204 /nfs/dbraw/zinc/65/72/04/1356657204.db2.gz NYVWBHRBBHOHNK-IYBDPMFKSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1F ZINC001567610613 1342793660 /nfs/dbraw/zinc/79/36/60/1342793660.db2.gz GLCNVKGBSUHMJC-KBPBESRZSA-N 2 0 339.430 2.386 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567731659 1342826450 /nfs/dbraw/zinc/82/64/50/1342826450.db2.gz POAZPQKCHMNHRA-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001569520991 1342891863 /nfs/dbraw/zinc/89/18/63/1342891863.db2.gz FAEPBDFVKDCOHJ-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001570019211 1343001273 /nfs/dbraw/zinc/00/12/73/1343001273.db2.gz OXWIVYCZLPDISC-OALUTQOASA-N 2 0 329.488 2.275 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cnn(C)c1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001571257939 1343170997 /nfs/dbraw/zinc/17/09/97/1343170997.db2.gz UUSAPAMTMISWMN-INIZCTEOSA-N 2 0 349.523 2.059 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001571401437 1343204915 /nfs/dbraw/zinc/20/49/15/1343204915.db2.gz CSFLAHUSDHZJSV-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCF)CC1 ZINC001571650861 1343263015 /nfs/dbraw/zinc/26/30/15/1343263015.db2.gz HOLDHQZWKWIAPB-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001677048229 1357269545 /nfs/dbraw/zinc/26/95/45/1357269545.db2.gz NOKAIDDLPCYIBK-KGLIPLIRSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ccccc1C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001677497273 1357340965 /nfs/dbraw/zinc/34/09/65/1357340965.db2.gz VIZOBCSBLMDGSI-IBGZPJMESA-N 2 0 347.503 2.044 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(F)cc1 ZINC001647226461 1353197290 /nfs/dbraw/zinc/19/72/90/1353197290.db2.gz ICFWLRLSLKZQNJ-JENIJYKNSA-N 2 0 348.466 2.260 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CO)c2cc(F)ccc2F)CC1 ZINC001648617797 1353436275 /nfs/dbraw/zinc/43/62/75/1353436275.db2.gz WQIODSIPHRUODN-GOSISDBHSA-N 2 0 341.446 2.004 10 0 EEAERP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCO1 ZINC001649457785 1353515847 /nfs/dbraw/zinc/51/58/47/1353515847.db2.gz MMLHSYQTEJZWRE-PJHKVULZSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1ccns1 ZINC001656446651 1354237648 /nfs/dbraw/zinc/23/76/48/1354237648.db2.gz BVEKFBDBDSSKPZ-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001656899430 1354296522 /nfs/dbraw/zinc/29/65/22/1354296522.db2.gz ORCAYHQSPMRNSY-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C)c(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001660140309 1354403049 /nfs/dbraw/zinc/40/30/49/1354403049.db2.gz YPBNMWWAZSVBBZ-INIZCTEOSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1cncc(C[N@@H+](C)CCCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001660346753 1354445943 /nfs/dbraw/zinc/44/59/43/1354445943.db2.gz XKJDWYXECBBANV-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@@H]1CC[C@H](C)O1 ZINC001660553259 1354487796 /nfs/dbraw/zinc/48/77/96/1354487796.db2.gz HKOXWYFXCXZGBC-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(NCCCN(Cc1ccon1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001660731471 1354527624 /nfs/dbraw/zinc/52/76/24/1354527624.db2.gz DYIUGVJDJPNLAU-QZTJIDSGSA-N 2 0 346.475 2.162 10 0 EEAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001660847375 1354549769 /nfs/dbraw/zinc/54/97/69/1354549769.db2.gz GODHNIUWBARTTK-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCC([NH2+]CCCOC)CC2)C1 ZINC001662126095 1354752523 /nfs/dbraw/zinc/75/25/23/1354752523.db2.gz FMPJLUXREDIDCO-WWDZGPRUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccccc1OCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663185369 1354932585 /nfs/dbraw/zinc/93/25/85/1354932585.db2.gz UZUOWUJFQDXFMG-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001663634887 1355008163 /nfs/dbraw/zinc/00/81/63/1355008163.db2.gz YZWKBYIAAMZBCI-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001664160120 1355103837 /nfs/dbraw/zinc/10/38/37/1355103837.db2.gz GEOKQZWZHODZCB-UHFFFAOYSA-N 2 0 331.504 2.181 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001664391335 1355152982 /nfs/dbraw/zinc/15/29/82/1355152982.db2.gz IMILSVKHKUMLSQ-IYBDPMFKSA-N 2 0 349.523 2.193 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001666214370 1355485970 /nfs/dbraw/zinc/48/59/70/1355485970.db2.gz IOKQJJFGJABDNC-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001667239369 1355683978 /nfs/dbraw/zinc/68/39/78/1355683978.db2.gz XTRJVYGZMDUPMH-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001667262755 1355692190 /nfs/dbraw/zinc/69/21/90/1355692190.db2.gz QPFZAJMIWQOAIR-IAGOWNOFSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001667520242 1355753280 /nfs/dbraw/zinc/75/32/80/1355753280.db2.gz XMNOQJXGYYOAQF-PKOBYXMFSA-N 2 0 347.503 2.056 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001667998611 1355844133 /nfs/dbraw/zinc/84/41/33/1355844133.db2.gz DGZVGRXXXBPDFG-LPHOPBHVSA-N 2 0 331.504 2.370 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)CC[NH+](C)C ZINC001668198073 1355897418 /nfs/dbraw/zinc/89/74/18/1355897418.db2.gz SXZDSMHITYNDMQ-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001668234979 1355905350 /nfs/dbraw/zinc/90/53/50/1355905350.db2.gz UVQXMFQEVOEHRX-HZPDHXFCSA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001668280051 1355914538 /nfs/dbraw/zinc/91/45/38/1355914538.db2.gz YWNGRURBVOPZJF-GXTWGEPZSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001668308633 1355920073 /nfs/dbraw/zinc/92/00/73/1355920073.db2.gz AOIDUXKEZABCAT-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668517341 1355956017 /nfs/dbraw/zinc/95/60/17/1355956017.db2.gz UDANUKGNUQNWFS-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP CCN(CC[NH2+]Cc1nsc2ccccc12)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668640402 1355977858 /nfs/dbraw/zinc/97/78/58/1355977858.db2.gz BVVQAUCRCGGMJN-CQSZACIVSA-N 2 0 346.500 2.186 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001669038831 1356073762 /nfs/dbraw/zinc/07/37/62/1356073762.db2.gz FOPOKXAPZTZSCD-HSWBROFVSA-N 2 0 337.414 2.069 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)C1([NH+](C)C)CCC1 ZINC001670123745 1356280180 /nfs/dbraw/zinc/28/01/80/1356280180.db2.gz CQESUDZAZZDNCK-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001670138989 1356283213 /nfs/dbraw/zinc/28/32/13/1356283213.db2.gz SPDDDULTDGSJDS-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2=CCCCC2)CCOCC1 ZINC001671945521 1356441826 /nfs/dbraw/zinc/44/18/26/1356441826.db2.gz AOPHVMYXTSURPZ-UHFFFAOYSA-N 2 0 337.508 2.084 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001672911486 1356613659 /nfs/dbraw/zinc/61/36/59/1356613659.db2.gz VOUXBCYCMQODCW-IRXDYDNUSA-N 2 0 347.478 2.414 10 0 EEAERP COCCCC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001673962041 1356765566 /nfs/dbraw/zinc/76/55/66/1356765566.db2.gz SDQKBUZTQBSJFB-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(NC1CC(C[NH2+]CCCF)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001674542542 1356856426 /nfs/dbraw/zinc/85/64/26/1356856426.db2.gz VTZMUCIQROJPEH-CGZBRXJRSA-N 2 0 339.499 2.485 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]Cc2nccn2C)CC1 ZINC001674809029 1356899365 /nfs/dbraw/zinc/89/93/65/1356899365.db2.gz SYSBZLUCFVEYCO-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675620885 1357017468 /nfs/dbraw/zinc/01/74/68/1357017468.db2.gz GPKIBRZGAPCVHC-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001675901788 1357065478 /nfs/dbraw/zinc/06/54/78/1357065478.db2.gz AKSYNWNDHYUHNX-WOSRLPQWSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)oc1C ZINC001675903968 1357066547 /nfs/dbraw/zinc/06/65/47/1357066547.db2.gz PENAWQDSMBDZGK-SUMWQHHRSA-N 2 0 348.491 2.008 10 0 EEAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698824669 1405092093 /nfs/dbraw/zinc/09/20/93/1405092093.db2.gz PBYPGKZMFJEIQX-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698828813 1405096568 /nfs/dbraw/zinc/09/65/68/1405096568.db2.gz QCZGJUYYYGYHCF-FUHWJXTLSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCCCF ZINC001698898231 1405138326 /nfs/dbraw/zinc/13/83/26/1405138326.db2.gz MTLQQVYDXZZAKP-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699101819 1405254135 /nfs/dbraw/zinc/25/41/35/1405254135.db2.gz XQGJGTMWYSGBOA-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001699258581 1405299199 /nfs/dbraw/zinc/29/91/99/1405299199.db2.gz ITGKCKMUBHFEKW-WFQHCLBKSA-N 2 0 341.446 2.026 10 0 EEAERP COCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699848673 1405525280 /nfs/dbraw/zinc/52/52/80/1405525280.db2.gz QVSBJYJDKCKTIW-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000921175573 770987955 /nfs/dbraw/zinc/98/79/55/770987955.db2.gz ZORFBBMFYODMSL-KCXAZCMYSA-N 2 0 338.883 2.335 10 0 EEAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000925794494 776768801 /nfs/dbraw/zinc/76/88/01/776768801.db2.gz FJDIZIPTGSSEMY-BWPNAZKDSA-N 2 0 331.504 2.284 10 0 EEAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1ccccc1 ZINC000907530260 784695897 /nfs/dbraw/zinc/69/58/97/784695897.db2.gz HRSIPYSVLNDXRF-IBGZPJMESA-N 2 0 327.472 2.253 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000819060914 785381538 /nfs/dbraw/zinc/38/15/38/785381538.db2.gz JAMCLNQIWVJBDH-LJQANCHMSA-N 2 0 337.483 2.175 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000819062671 785406537 /nfs/dbraw/zinc/40/65/37/785406537.db2.gz RYQVDMMGNPIWSR-RTBURBONSA-N 2 0 337.483 2.029 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc(F)c2)(N2CCCCC2)CC1 ZINC000819110863 785429007 /nfs/dbraw/zinc/42/90/07/785429007.db2.gz JYAAWGHRYVQOPO-LJQANCHMSA-N 2 0 349.494 2.399 10 0 EEAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@]2(C)C1 ZINC000913284495 788761969 /nfs/dbraw/zinc/76/19/69/788761969.db2.gz USCMDYIPUDCLSC-PWIZWCRZSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000844172895 788885170 /nfs/dbraw/zinc/88/51/70/788885170.db2.gz JDHQBGSCHPVTCT-ZFWWWQNUSA-N 2 0 338.883 2.234 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000923410588 789516874 /nfs/dbraw/zinc/51/68/74/789516874.db2.gz IZIZXHACKYPMSY-WZRBSPASSA-N 2 0 333.259 2.260 10 0 EEAERP Cc1cc(C)cc(OC[C@H](O)CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000923426147 789527730 /nfs/dbraw/zinc/52/77/30/789527730.db2.gz NJLUMAPJODAQDH-IIAWOOMASA-N 2 0 346.393 2.112 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923500330 789684120 /nfs/dbraw/zinc/68/41/20/789684120.db2.gz NLQRIANTNFIURL-WBVHZDCISA-N 2 0 347.507 2.319 10 0 EEAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000913629298 794001916 /nfs/dbraw/zinc/00/19/16/794001916.db2.gz WEVXXGCLBNKPCI-MRXNPFEDSA-N 2 0 331.435 2.002 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000715269368 795290902 /nfs/dbraw/zinc/29/09/02/795290902.db2.gz ILHZRLGPYBTESL-XVAXZDLZSA-N 2 0 345.531 2.476 10 0 EEAERP C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000921881627 797842800 /nfs/dbraw/zinc/84/28/00/797842800.db2.gz RYENSUWUJRAFQB-QAPCUYQASA-N 2 0 345.491 2.024 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566074917 1125547544 /nfs/dbraw/zinc/54/75/44/1125547544.db2.gz DJLMAWORKXAPFP-QZTJIDSGSA-N 2 0 341.540 2.360 10 0 EEAERP COCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001566533071 1125703065 /nfs/dbraw/zinc/70/30/65/1125703065.db2.gz KMESKEMYNFDNNS-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001436418138 1087775805 /nfs/dbraw/zinc/77/58/05/1087775805.db2.gz WLFDVHQGIURXAY-YESZJQIVSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1ccccn1 ZINC001436442949 1087844660 /nfs/dbraw/zinc/84/46/60/1087844660.db2.gz ZRUGYBVTXGJBAG-ZWKOTPCHSA-N 2 0 330.476 2.035 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C)cs2)C1)[NH+](CC)CC ZINC001436969425 1088661374 /nfs/dbraw/zinc/66/13/74/1088661374.db2.gz UFZTZDPAHIPUOL-QLFBSQMISA-N 2 0 338.521 2.309 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)sn1 ZINC001437050760 1088939994 /nfs/dbraw/zinc/93/99/94/1088939994.db2.gz QZAGQVNOYZVGAK-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001437058717 1088960443 /nfs/dbraw/zinc/96/04/43/1088960443.db2.gz KOTYWNKGJFQENJ-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1cc(F)ccc1C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437510428 1089904726 /nfs/dbraw/zinc/90/47/26/1089904726.db2.gz PAXFXPNWWYDTJA-HOTGVXAUSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001437703693 1090249687 /nfs/dbraw/zinc/24/96/87/1090249687.db2.gz PVLQWGQPXPEKIF-GOSISDBHSA-N 2 0 333.451 2.311 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001437840407 1090425397 /nfs/dbraw/zinc/42/53/97/1090425397.db2.gz NKMQCFSRXNVWPC-INIZCTEOSA-N 2 0 347.507 2.014 10 0 EEAERP CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)C[NH+]1CCCC1 ZINC001437846866 1090430280 /nfs/dbraw/zinc/43/02/80/1090430280.db2.gz NYGWQDNDUNVBGH-QGZVFWFLSA-N 2 0 337.414 2.096 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437940427 1090534610 /nfs/dbraw/zinc/53/46/10/1090534610.db2.gz ARPJZMBKDPVLOX-MSOLQXFVSA-N 2 0 344.503 2.060 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnccc1C ZINC001438377697 1090859105 /nfs/dbraw/zinc/85/91/05/1090859105.db2.gz QHIFVVPLDMRGNW-RBUKOAKNSA-N 2 0 346.519 2.495 10 0 EEAERP O=C(NC1(C[NH2+]C[C@@H]2CCCCO2)CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001438399309 1090887367 /nfs/dbraw/zinc/88/73/67/1090887367.db2.gz JCYWVPOBPBEQBJ-HKUYNNGSSA-N 2 0 349.519 2.060 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001438483670 1090986374 /nfs/dbraw/zinc/98/63/74/1090986374.db2.gz BQWJVYCFXDIKDI-ZYSHUDEJSA-N 2 0 347.503 2.267 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[NH+](CCC(C)(C)C)CCO1 ZINC001438567559 1091057396 /nfs/dbraw/zinc/05/73/96/1091057396.db2.gz JXEBJTIGDJOCMV-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445385734 1091129826 /nfs/dbraw/zinc/12/98/26/1091129826.db2.gz LKWKFYSHLNYIFY-CRAIPNDOSA-N 2 0 349.523 2.241 10 0 EEAERP CCCOc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001445650913 1091439159 /nfs/dbraw/zinc/43/91/59/1091439159.db2.gz XSXNRXPQSHDWAN-RDJZCZTQSA-N 2 0 333.476 2.021 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438847916 1091486330 /nfs/dbraw/zinc/48/63/30/1091486330.db2.gz QBCOVFAJXMJLAS-HOTGVXAUSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cncc(CN(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001438931797 1091612880 /nfs/dbraw/zinc/61/28/80/1091612880.db2.gz KHCRYDLREKJDDL-RTBURBONSA-N 2 0 346.519 2.401 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC001439182859 1091831481 /nfs/dbraw/zinc/83/14/81/1091831481.db2.gz UZTZFLBFNHYGKW-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001439268766 1091926802 /nfs/dbraw/zinc/92/68/02/1091926802.db2.gz MFQHGWJNISWKRT-LBPRGKRZSA-N 2 0 339.842 2.169 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1F)C1CC1)[NH+](C)C ZINC001445996323 1091971572 /nfs/dbraw/zinc/97/15/72/1091971572.db2.gz WMHAFORZZPIKHL-IAGOWNOFSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439323532 1091997814 /nfs/dbraw/zinc/99/78/14/1091997814.db2.gz FJMPHYGXKYROTH-RZQQEMMASA-N 2 0 343.515 2.452 10 0 EEAERP COc1cc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)ccc1Cl ZINC001439367821 1092096063 /nfs/dbraw/zinc/09/60/63/1092096063.db2.gz VTCKVSQJRYRQOA-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001439373601 1092110946 /nfs/dbraw/zinc/11/09/46/1092110946.db2.gz USOIFNLVZKIGIE-BQFCYCMXSA-N 2 0 347.503 2.362 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001439474783 1092268161 /nfs/dbraw/zinc/26/81/61/1092268161.db2.gz SEWYMUBUKSKPHA-IBGZPJMESA-N 2 0 329.488 2.111 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001439809850 1092774621 /nfs/dbraw/zinc/77/46/21/1092774621.db2.gz DLFWSHUBKAVOLK-JKSUJKDBSA-N 2 0 325.472 2.095 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001439880576 1092928059 /nfs/dbraw/zinc/92/80/59/1092928059.db2.gz BPRQNGBBNPCINK-RBUKOAKNSA-N 2 0 339.499 2.437 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001439906157 1092971557 /nfs/dbraw/zinc/97/15/57/1092971557.db2.gz SVEKMVWGZZADGD-FQEVSTJZSA-N 2 0 341.499 2.419 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440136508 1093202511 /nfs/dbraw/zinc/20/25/11/1093202511.db2.gz QTOXDUOCSPXZAO-DOTOQJQBSA-N 2 0 335.467 2.270 10 0 EEAERP COc1cccc(C[NH+]2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)c1 ZINC001440229957 1093313298 /nfs/dbraw/zinc/31/32/98/1093313298.db2.gz IQPIYALWYIRWNT-UHFFFAOYSA-N 2 0 345.487 2.071 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cc(O)ccc2Cl)CCC1 ZINC001440335712 1093478272 /nfs/dbraw/zinc/47/82/72/1093478272.db2.gz ZFACHXDGAJLGPG-UHFFFAOYSA-N 2 0 339.867 2.126 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2C)C1)[NH+](C)C ZINC001448514546 1093542680 /nfs/dbraw/zinc/54/26/80/1093542680.db2.gz FZAFFWNKQOUFLO-WBAXXEDZSA-N 2 0 335.467 2.459 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001448537707 1093574955 /nfs/dbraw/zinc/57/49/55/1093574955.db2.gz YGNWAJPXELRQCN-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001440481701 1093714474 /nfs/dbraw/zinc/71/44/74/1093714474.db2.gz LNMBXUHQUCXXTE-AEFFLSMTSA-N 2 0 347.503 2.488 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)nsc1C ZINC001448765322 1093839686 /nfs/dbraw/zinc/83/96/86/1093839686.db2.gz QYOOOFAURORTMH-LBPRGKRZSA-N 2 0 326.510 2.038 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001449011466 1094011467 /nfs/dbraw/zinc/01/14/67/1094011467.db2.gz JFRAKSHLEWAPNE-AZUAARDMSA-N 2 0 344.503 2.343 10 0 EEAERP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](CCCF)CC2)CC(C)(C)C ZINC001449017423 1094018225 /nfs/dbraw/zinc/01/82/25/1094018225.db2.gz UGJNLBLKLFZHTN-CRAIPNDOSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ncccc1C)C(C)(C)C)[NH+](C)C ZINC001449309771 1094263155 /nfs/dbraw/zinc/26/31/55/1094263155.db2.gz OHTGZIYBWIPPQM-SJORKVTESA-N 2 0 334.508 2.351 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)n1 ZINC001449332966 1094285171 /nfs/dbraw/zinc/28/51/71/1094285171.db2.gz YQXYDRBLDVWEIZ-ZIAGYGMSSA-N 2 0 338.521 2.024 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001449401453 1094382038 /nfs/dbraw/zinc/38/20/38/1094382038.db2.gz LIXGGCUQEFFAHM-JCYILVPMSA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001441134793 1094464599 /nfs/dbraw/zinc/46/45/99/1094464599.db2.gz LGMGFMVBUGMAQA-KRWDZBQOSA-N 2 0 348.466 2.081 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1[C@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]12 ZINC001441310387 1094764575 /nfs/dbraw/zinc/76/45/75/1094764575.db2.gz DQNBMFRDJPKLLA-VAHSIYPMSA-N 2 0 341.499 2.334 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001441332991 1094799838 /nfs/dbraw/zinc/79/98/38/1094799838.db2.gz CUBNSWIUNLJWQN-HFEMZURISA-N 2 0 339.483 2.232 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)s2)C1)[NH+](C)C ZINC001441350580 1094862483 /nfs/dbraw/zinc/86/24/83/1094862483.db2.gz HNXWYKOCBAJHMJ-IJLUTSLNSA-N 2 0 344.912 2.121 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001441861513 1095964908 /nfs/dbraw/zinc/96/49/08/1095964908.db2.gz LSPZCMFMJKTMEZ-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001441889612 1096024495 /nfs/dbraw/zinc/02/44/95/1096024495.db2.gz ZEVHLXNGZWJGIF-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001441894110 1096037876 /nfs/dbraw/zinc/03/78/76/1096037876.db2.gz FDCQLOJTMGOKEX-GOEBONIOSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001442044321 1096254442 /nfs/dbraw/zinc/25/44/42/1096254442.db2.gz GLPWDZIPVGXNPY-STQMWFEESA-N 2 0 325.403 2.216 10 0 EEAERP CN(C[C@@H](O)C[N@H+](C)CCC(C)(C)C)C(=O)CC[NH+]1CCCCC1 ZINC001442088867 1096308712 /nfs/dbraw/zinc/30/87/12/1096308712.db2.gz HDLCROUUUSKYOM-KRWDZBQOSA-N 2 0 341.540 2.050 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001442400833 1096721413 /nfs/dbraw/zinc/72/14/13/1096721413.db2.gz IIVXCWORIKWJMM-IBGZPJMESA-N 2 0 329.488 2.193 10 0 EEAERP C[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)CC1CCCC1 ZINC001442483646 1096820030 /nfs/dbraw/zinc/82/00/30/1096820030.db2.gz LJNVDDQSJHSRCD-UHFFFAOYSA-N 2 0 327.432 2.119 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001442805890 1097188380 /nfs/dbraw/zinc/18/83/80/1097188380.db2.gz SCXCISHASDYYJU-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001442826598 1097217111 /nfs/dbraw/zinc/21/71/11/1097217111.db2.gz NLYSNBTZQQEFDZ-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP COCc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)cc1 ZINC001442840625 1097231693 /nfs/dbraw/zinc/23/16/93/1097231693.db2.gz FOAZHVVHJNRDOP-LJQANCHMSA-N 2 0 347.503 2.254 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001443914287 1098437025 /nfs/dbraw/zinc/43/70/25/1098437025.db2.gz HVFQFZJOYJAGCZ-NIKGAXFTSA-N 2 0 345.487 2.041 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1nccs1 ZINC001444001648 1098516049 /nfs/dbraw/zinc/51/60/49/1098516049.db2.gz IRFCKDPGYFKICA-LSDHHAIUSA-N 2 0 338.521 2.390 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001444039628 1098557925 /nfs/dbraw/zinc/55/79/25/1098557925.db2.gz PFFPVCZJFUSQKX-QGZVFWFLSA-N 2 0 345.487 2.084 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001479486979 1098560789 /nfs/dbraw/zinc/56/07/89/1098560789.db2.gz QPRLINGKPPTZNI-XYJFISCASA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@](C[NH2+]Cc1cc(C2CC2)no1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001444141409 1098679578 /nfs/dbraw/zinc/67/95/78/1098679578.db2.gz OPNQXKSHPHEXQE-IBGZPJMESA-N 2 0 346.475 2.022 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001479694310 1098762749 /nfs/dbraw/zinc/76/27/49/1098762749.db2.gz AGXGHWMMJMNJAQ-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001479742300 1098866742 /nfs/dbraw/zinc/86/67/42/1098866742.db2.gz YKQNGCXGXBJEPI-AWEZNQCLSA-N 2 0 338.521 2.258 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001444326985 1098890693 /nfs/dbraw/zinc/89/06/93/1098890693.db2.gz QZAAXIDPMOYVBI-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001444380570 1098963924 /nfs/dbraw/zinc/96/39/24/1098963924.db2.gz LTYOYXCWOJBXBA-CQSZACIVSA-N 2 0 338.521 2.025 10 0 EEAERP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001479957032 1099395809 /nfs/dbraw/zinc/39/58/09/1099395809.db2.gz HXPAJTJQTCOBBN-MRXNPFEDSA-N 2 0 344.459 2.262 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1N(C)C)[NH+](C)C ZINC001444616771 1099442724 /nfs/dbraw/zinc/44/27/24/1099442724.db2.gz FSYFDYAVXGHESZ-DOTOQJQBSA-N 2 0 334.508 2.029 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444765496 1099659615 /nfs/dbraw/zinc/65/96/15/1099659615.db2.gz YKSFGGSKSBQBNP-QFBILLFUSA-N 2 0 346.519 2.352 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1)[NH+](C)C ZINC001480112014 1099678234 /nfs/dbraw/zinc/67/82/34/1099678234.db2.gz SITJQSVSKUVQES-IRXDYDNUSA-N 2 0 337.533 2.457 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)n1 ZINC001444792121 1099704314 /nfs/dbraw/zinc/70/43/14/1099704314.db2.gz QXCBOPAUNOBHHT-FUHWJXTLSA-N 2 0 349.523 2.131 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cscn2)C1 ZINC001444813858 1099739875 /nfs/dbraw/zinc/73/98/75/1099739875.db2.gz JGKCFZQQSUUPDS-HUUCEWRRSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001444829999 1099776791 /nfs/dbraw/zinc/77/67/91/1099776791.db2.gz SSTSPKWYQHUGTJ-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001480233412 1099859380 /nfs/dbraw/zinc/85/93/80/1099859380.db2.gz AEZRNXWXQBXXLN-KFWWJZLASA-N 2 0 331.451 2.391 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)sn1 ZINC001444887196 1099921036 /nfs/dbraw/zinc/92/10/36/1099921036.db2.gz JJGCWSIHNARPNI-JKSUJKDBSA-N 2 0 338.521 2.166 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001480318902 1100055606 /nfs/dbraw/zinc/05/56/06/1100055606.db2.gz GHELBZLOYJTSDA-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388697 1100192574 /nfs/dbraw/zinc/19/25/74/1100192574.db2.gz ZLCDVZNHRVIWMV-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccon2)CC1)[NH+](CC)CC ZINC001480408467 1100223580 /nfs/dbraw/zinc/22/35/80/1100223580.db2.gz SRGJDYAFYODCIC-VMBOVVBDSA-N 2 0 336.480 2.312 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496208800 1100750874 /nfs/dbraw/zinc/75/08/74/1100750874.db2.gz YFOPZYVLKSMNNV-SJLPKXTDSA-N 2 0 346.519 2.031 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1Cl ZINC001495109208 1100763734 /nfs/dbraw/zinc/76/37/34/1100763734.db2.gz SSWYQXDFQUQVMH-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2csc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001446443664 1100864448 /nfs/dbraw/zinc/86/44/48/1100864448.db2.gz NHSBMNUJQGPJOH-NEPJUHHUSA-N 2 0 344.912 2.217 10 0 EEAERP CC[C@H](C(=O)NC1(C)CC[NH+](CC[C@H]2CCCCO2)CC1)[NH+](C)C ZINC001446482817 1100914551 /nfs/dbraw/zinc/91/45/51/1100914551.db2.gz RNFLADANJRFXFP-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001496324833 1100920290 /nfs/dbraw/zinc/92/02/90/1100920290.db2.gz FRKZOSPLWZQGLP-WMZOPIPTSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001446569491 1101054488 /nfs/dbraw/zinc/05/44/88/1101054488.db2.gz WXMGXBYRODQLBX-KRWDZBQOSA-N 2 0 343.462 2.488 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001495358497 1101072049 /nfs/dbraw/zinc/07/20/49/1101072049.db2.gz FWMBQGIXWNRQOO-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@@H](C)O)CC1 ZINC001495455638 1101167528 /nfs/dbraw/zinc/16/75/28/1101167528.db2.gz RVMZEWMWGNHMOX-BRSBDYLESA-N 2 0 339.524 2.037 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001495517172 1101230458 /nfs/dbraw/zinc/23/04/58/1101230458.db2.gz JERAZYRROYCGHX-ROUUACIJSA-N 2 0 339.499 2.295 10 0 EEAERP 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CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCOCC1 ZINC001507128451 1115123293 /nfs/dbraw/zinc/12/32/93/1115123293.db2.gz BTOZFHPGAPDNQB-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@H]2C1 ZINC001507361712 1115222487 /nfs/dbraw/zinc/22/24/87/1115222487.db2.gz CNRRZWRBZWNRAV-BZSNNMDCSA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001507655669 1115316105 /nfs/dbraw/zinc/31/61/05/1115316105.db2.gz ICRGFNIQMDRJNM-PBHICJAKSA-N 2 0 346.475 2.054 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001508058668 1115406815 /nfs/dbraw/zinc/40/68/15/1115406815.db2.gz HAXYMBAUUFJLMQ-RXTQTKKPSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001509226293 1115762866 /nfs/dbraw/zinc/76/28/66/1115762866.db2.gz JNUNBYPUPIJLKF-IRXDYDNUSA-N 2 0 348.539 2.101 10 0 EEAERP Cc1cc(NC(=O)C23CCC[NH+]2CCC3)ccc1N1CC[NH+](C)CC1 ZINC001531838637 1122578375 /nfs/dbraw/zinc/57/83/75/1122578375.db2.gz CDWUKICEQSOEME-UHFFFAOYSA-N 2 0 342.487 2.314 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001567925809 1124183997 /nfs/dbraw/zinc/18/39/97/1124183997.db2.gz UDOOIRGSZZUXBI-IBGZPJMESA-N 2 0 346.519 2.463 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001568065522 1124271214 /nfs/dbraw/zinc/27/12/14/1124271214.db2.gz BASCMYNANNKIKE-KRWDZBQOSA-N 2 0 332.492 2.142 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2nccs2)C1 ZINC001568077319 1124282277 /nfs/dbraw/zinc/28/22/77/1124282277.db2.gz YUELNGSHWBMFPW-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568311909 1124415418 /nfs/dbraw/zinc/41/54/18/1124415418.db2.gz DEGBZGIKQUEDBS-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568311908 1124415484 /nfs/dbraw/zinc/41/54/84/1124415484.db2.gz DEGBZGIKQUEDBS-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)on1 ZINC001568385581 1124455080 /nfs/dbraw/zinc/45/50/80/1124455080.db2.gz ITKDDLURLWFJPG-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001568531146 1124593181 /nfs/dbraw/zinc/59/31/81/1124593181.db2.gz NJNYIWLUGRGOAQ-HZPDHXFCSA-N 2 0 325.472 2.097 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001568639994 1124653426 /nfs/dbraw/zinc/65/34/26/1124653426.db2.gz DOLONESIFGFSST-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001568699214 1124713542 /nfs/dbraw/zinc/71/35/42/1124713542.db2.gz OKORRTZVWRTDCD-QGZVFWFLSA-N 2 0 329.488 2.384 10 0 EEAERP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749068 1124763484 /nfs/dbraw/zinc/76/34/84/1124763484.db2.gz BWTOAIQWEUMTAH-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]CC[C@@H]2CCCO2)ccc2c[nH+]cn21 ZINC001568877549 1124903024 /nfs/dbraw/zinc/90/30/24/1124903024.db2.gz NNEPXNFPLYLNBI-YATRRXNKSA-N 2 0 342.443 2.087 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)sn1 ZINC001568932114 1124963098 /nfs/dbraw/zinc/96/30/98/1124963098.db2.gz NXDKDNOVIMZQEL-RHINWDHMSA-N 2 0 348.516 2.230 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)ccc1C ZINC001569189227 1125153349 /nfs/dbraw/zinc/15/33/49/1125153349.db2.gz XAVIJRVFSHSYPK-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001569246911 1125192744 /nfs/dbraw/zinc/19/27/44/1125192744.db2.gz UPYQRLSCZGELMY-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP COCC[NH+](CCOC)CC[C@H]([NH3+])c1cccc(Br)c1 ZINC000053942002 214205402 /nfs/dbraw/zinc/20/54/02/214205402.db2.gz VWSAMCOVAYMPND-HNNXBMFYSA-N 2 0 345.281 2.434 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422951683 240306149 /nfs/dbraw/zinc/30/61/49/240306149.db2.gz ZSVOZYCHFXSOEA-APWZRJJASA-N 2 0 325.456 2.374 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423043813 240339816 /nfs/dbraw/zinc/33/98/16/240339816.db2.gz QARJOOORKUIWAJ-OLZOCXBDSA-N 2 0 329.847 2.401 10 0 EEAERP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438345458 242008402 /nfs/dbraw/zinc/00/84/02/242008402.db2.gz MPJXLUPRZJZZHU-SFHVURJKSA-N 2 0 345.491 2.012 10 0 EEAERP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C(=O)O1 ZINC000229454206 242165063 /nfs/dbraw/zinc/16/50/63/242165063.db2.gz DMRGWEPRNNEMLT-ATZDWAIDSA-N 2 0 346.471 2.068 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273267547 256282070 /nfs/dbraw/zinc/28/20/70/256282070.db2.gz ZCEUWMQUEBIZNJ-UHFFFAOYSA-N 2 0 344.503 2.417 10 0 EEAERP C(N[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422901361 533371504 /nfs/dbraw/zinc/37/15/04/533371504.db2.gz BVFWRZDJRKUFKF-VAMGGRTRSA-N 2 0 335.536 2.388 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1C ZINC000173892940 533586616 /nfs/dbraw/zinc/58/66/16/533586616.db2.gz YUGLRFUUJIJGPM-ILXRZTDVSA-N 2 0 338.521 2.475 10 0 EEAERP Cc1ccc(N2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)nc1 ZINC000120336138 142384684 /nfs/dbraw/zinc/38/46/84/142384684.db2.gz OBHIDJTXQVANLE-UHFFFAOYSA-N 2 0 330.476 2.207 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000248562962 160350774 /nfs/dbraw/zinc/35/07/74/160350774.db2.gz JZSDKFGHHUEWPV-SFTDATJTSA-N 2 0 345.531 2.082 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000262796204 152318294 /nfs/dbraw/zinc/31/82/94/152318294.db2.gz NMPGBHNVHAXKPN-UWWQBHOKSA-N 2 0 333.451 2.152 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC000374289579 154033545 /nfs/dbraw/zinc/03/35/45/154033545.db2.gz XWTJGQKLFJFALZ-SFHVURJKSA-N 2 0 331.508 2.072 10 0 EEAERP CC[NH+]1CCN(c2ccc(-c3nc(C[C@H](C)[NH2+]C)no3)cc2)CC1 ZINC000261849336 160421670 /nfs/dbraw/zinc/42/16/70/160421670.db2.gz SRFVVHXFCRWBRK-AWEZNQCLSA-N 2 0 329.448 2.029 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000105198056 159297932 /nfs/dbraw/zinc/29/79/32/159297932.db2.gz GGOJZMRNJQFNDW-MOPGFXCFSA-N 2 0 344.503 2.477 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193135153 160177985 /nfs/dbraw/zinc/17/79/85/160177985.db2.gz CCNGTJMQRSPGMS-UHFFFAOYSA-N 2 0 336.524 2.377 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245688437 160248827 /nfs/dbraw/zinc/24/88/27/160248827.db2.gz WQWXWXMHSKHKJB-QRQLOZEOSA-N 2 0 344.503 2.463 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000246827632 160296871 /nfs/dbraw/zinc/29/68/71/160296871.db2.gz DRMGXMGSMOSLCU-DOTOQJQBSA-N 2 0 333.476 2.086 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247222305 160314917 /nfs/dbraw/zinc/31/49/17/160314917.db2.gz CCPSJTGUVDZXMX-KURKYZTESA-N 2 0 336.524 2.234 10 0 EEAERP CN(C(=O)C[NH+](C)[C@@H]1CCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343844112 161173542 /nfs/dbraw/zinc/17/35/42/161173542.db2.gz FCDYUZIUPIFYHM-QZTJIDSGSA-N 2 0 347.528 2.157 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(CCO)CCCCC1)c1ccccc1 ZINC000355045182 163061461 /nfs/dbraw/zinc/06/14/61/163061461.db2.gz HDNOKVOGOKADJN-GOSISDBHSA-N 2 0 347.503 2.080 10 0 EEAERP CC[C@@H]1C[C@@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000355679773 163267607 /nfs/dbraw/zinc/26/76/07/163267607.db2.gz XVHAYXXHIAQINE-XUVXKRRUSA-N 2 0 332.488 2.418 10 0 EEAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000364476077 165152196 /nfs/dbraw/zinc/15/21/96/165152196.db2.gz HPAVUVNBDIZOQE-IBGZPJMESA-N 2 0 337.552 2.277 10 0 EEAERP CC[NH+](CC)CCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000374346238 167022053 /nfs/dbraw/zinc/02/20/53/167022053.db2.gz HHQDXTRMCBHFPE-INIZCTEOSA-N 2 0 347.507 2.450 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000272686915 269008901 /nfs/dbraw/zinc/00/89/01/269008901.db2.gz BQLNQRVSGDVMRG-KFKAGJAMSA-N 2 0 342.487 2.381 10 0 EEAERP C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272693325 269009205 /nfs/dbraw/zinc/00/92/05/269009205.db2.gz XJLKOSVDUHGXPS-NVXWUHKLSA-N 2 0 330.476 2.030 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000278368011 269226745 /nfs/dbraw/zinc/22/67/45/269226745.db2.gz JPMIAKHRLQHSPY-UHFFFAOYSA-N 2 0 343.450 2.226 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[N@@H+]1C ZINC000279303526 269269431 /nfs/dbraw/zinc/26/94/31/269269431.db2.gz ZRGFGZDENNVHMP-HOTGVXAUSA-N 2 0 335.467 2.446 10 0 EEAERP CN(c1ccccc1C[NH2+]CCc1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000289692320 275139569 /nfs/dbraw/zinc/13/95/69/275139569.db2.gz CZNUJNQIAAKHBI-UHFFFAOYSA-N 2 0 327.476 2.272 10 0 EEAERP C(CN1CCC([NH+]2CCCC2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000114719026 277713899 /nfs/dbraw/zinc/71/38/99/277713899.db2.gz AZIOIFKDDNQKIB-UHFFFAOYSA-N 2 0 334.552 2.107 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247912972 279311635 /nfs/dbraw/zinc/31/16/35/279311635.db2.gz AQDXTLIXECERDV-KURKYZTESA-N 2 0 330.476 2.215 10 0 EEAERP C[C@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000262650054 292726860 /nfs/dbraw/zinc/72/68/60/292726860.db2.gz LCDLPYGHSWALSX-NZSAHSFTSA-N 2 0 331.504 2.301 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284155900 293039864 /nfs/dbraw/zinc/03/98/64/293039864.db2.gz DUJKDKYRWROXPR-XNFNUYLZSA-N 2 0 331.504 2.413 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000297030249 294133894 /nfs/dbraw/zinc/13/38/94/294133894.db2.gz LXIDKVLEFQIWEQ-BMSWRWNDSA-N 2 0 342.487 2.356 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333574960 312168581 /nfs/dbraw/zinc/16/85/81/312168581.db2.gz MXZABPJSRKYKPI-XLMAVXFVSA-N 2 0 336.524 2.408 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000333582112 312169460 /nfs/dbraw/zinc/16/94/60/312169460.db2.gz ABJNEHSZPZJURL-LZWOXQAQSA-N 2 0 336.505 2.091 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000414736660 313072305 /nfs/dbraw/zinc/07/23/05/313072305.db2.gz NGHXVYASSLTJFL-MRXNPFEDSA-N 2 0 345.491 2.044 10 0 EEAERP CC1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1C(F)(F)F ZINC000414758231 313078381 /nfs/dbraw/zinc/07/83/81/313078381.db2.gz MKOBEZCKJKSBPE-CHWSQXEVSA-N 2 0 335.414 2.094 10 0 EEAERP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414771097 313082928 /nfs/dbraw/zinc/08/29/28/313082928.db2.gz ZCABXMKWQVYACM-KXBFYZLASA-N 2 0 345.487 2.202 10 0 EEAERP FC(F)(F)COc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414787075 313089258 /nfs/dbraw/zinc/08/92/58/313089258.db2.gz YKOYEXXWXNISLP-UHFFFAOYSA-N 2 0 331.382 2.013 10 0 EEAERP C[NH+](C)C1(CNC(=O)N(CC[NH3+])CCc2ccccc2)CCCCC1 ZINC000416824723 313326199 /nfs/dbraw/zinc/32/61/99/313326199.db2.gz PHCJMRWODIUGIP-UHFFFAOYSA-N 2 0 346.519 2.464 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416836350 313329996 /nfs/dbraw/zinc/32/99/96/313329996.db2.gz VBUIOKAWQYJZOT-BBWFWOEESA-N 2 0 346.475 2.058 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(F)c1 ZINC000416839565 313331623 /nfs/dbraw/zinc/33/16/23/313331623.db2.gz JXXODNSQQCYCKC-SOLBZPMBSA-N 2 0 348.466 2.069 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417200224 313447047 /nfs/dbraw/zinc/44/70/47/313447047.db2.gz TUOIDGCNLIRCTE-OALUTQOASA-N 2 0 340.471 2.159 10 0 EEAERP [NH3+][C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000417814426 313604303 /nfs/dbraw/zinc/60/43/03/313604303.db2.gz AYBDDGRZUJPJHD-GOSISDBHSA-N 2 0 330.476 2.393 10 0 EEAERP CCC1(CNC(=O)N2CC[C@@H]([NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417928642 313653146 /nfs/dbraw/zinc/65/31/46/313653146.db2.gz RILDUVJIIPAYPO-GOSISDBHSA-N 2 0 344.503 2.421 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000514861352 316432238 /nfs/dbraw/zinc/43/22/38/316432238.db2.gz UJFZSGILGLYSIE-IBGZPJMESA-N 2 0 342.487 2.129 10 0 EEAERP CC(C)OC[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000516563173 316570338 /nfs/dbraw/zinc/57/03/38/316570338.db2.gz XSOZSLYRCSTWHL-MRXNPFEDSA-N 2 0 326.506 2.336 10 0 EEAERP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528443461 317387891 /nfs/dbraw/zinc/38/78/91/317387891.db2.gz PYKMBKXTXDZYSN-SFHVURJKSA-N 2 0 326.525 2.486 10 0 EEAERP COc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000530249287 317704704 /nfs/dbraw/zinc/70/47/04/317704704.db2.gz URNWXUOCNGACLJ-MRXNPFEDSA-N 2 0 348.443 2.014 10 0 EEAERP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000561077946 318822716 /nfs/dbraw/zinc/82/27/16/318822716.db2.gz LXUWFYODLIGLEU-AEFFLSMTSA-N 2 0 327.472 2.099 10 0 EEAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000564823199 319114180 /nfs/dbraw/zinc/11/41/80/319114180.db2.gz DIEMHOFXELWEGT-IHPCNDPISA-N 2 0 331.504 2.255 10 0 EEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566191742 319258234 /nfs/dbraw/zinc/25/82/34/319258234.db2.gz CJWVGNKCCJXLJK-QAPCUYQASA-N 2 0 332.492 2.375 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000569575496 319589380 /nfs/dbraw/zinc/58/93/80/319589380.db2.gz BJODVTQKAWWVSA-NXHRZFHOSA-N 2 0 330.476 2.121 10 0 EEAERP COc1cncc(/C=C\CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000574197618 320004630 /nfs/dbraw/zinc/00/46/30/320004630.db2.gz VTIAZGDXPGRFRS-ALCCZGGFSA-N 2 0 346.519 2.451 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574548846 320035925 /nfs/dbraw/zinc/03/59/25/320035925.db2.gz NOHDBRODGQEHQV-DZOHQFGASA-N 2 0 330.476 2.119 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000576688934 320195138 /nfs/dbraw/zinc/19/51/38/320195138.db2.gz XJKDBCWLSGYKEH-CRAIPNDOSA-N 2 0 330.476 2.476 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579591660 323889471 /nfs/dbraw/zinc/88/94/71/323889471.db2.gz HYDQMFUYZFMLNH-HUUCEWRRSA-N 2 0 333.480 2.076 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000336709446 465041906 /nfs/dbraw/zinc/04/19/06/465041906.db2.gz JVXIELCLOMNTJZ-PMACEKPBSA-N 2 0 332.488 2.228 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000347914193 465305321 /nfs/dbraw/zinc/30/53/21/465305321.db2.gz HLSKKBXHOJUJMM-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000579111160 468312490 /nfs/dbraw/zinc/31/24/90/468312490.db2.gz VGLGGNIWGQZKFA-IBGZPJMESA-N 2 0 348.487 2.341 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000118771094 462851494 /nfs/dbraw/zinc/85/14/94/462851494.db2.gz JAIFHEZNIXGSHP-KRWDZBQOSA-N 2 0 346.519 2.289 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000048216588 462874547 /nfs/dbraw/zinc/87/45/47/462874547.db2.gz DYMCFGMAXCMGHP-SFHVURJKSA-N 2 0 330.476 2.215 10 0 EEAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(OC)c1 ZINC000121111638 463081022 /nfs/dbraw/zinc/08/10/22/463081022.db2.gz CUVCAFBJCRGQOV-OAHLLOKOSA-N 2 0 336.476 2.228 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000052522936 463085423 /nfs/dbraw/zinc/08/54/23/463085423.db2.gz RKTMKLMTVRMDNI-LJQANCHMSA-N 2 0 344.503 2.353 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000121805546 463197452 /nfs/dbraw/zinc/19/74/52/463197452.db2.gz GTTFXDPCTUGWQV-HNNXBMFYSA-N 2 0 328.464 2.435 10 0 EEAERP Cc1ccc(-c2nnc(C[N@H+](C)CC3CC[NH+](CCO)CC3)o2)cc1 ZINC000069742497 463316586 /nfs/dbraw/zinc/31/65/86/463316586.db2.gz MQGLEHDZTIWWBM-UHFFFAOYSA-N 2 0 344.459 2.181 10 0 EEAERP COc1cccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000553166600 468353665 /nfs/dbraw/zinc/35/36/65/468353665.db2.gz MWLICZSZPZASLU-VQIMIIECSA-N 2 0 345.487 2.290 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000105166020 463441137 /nfs/dbraw/zinc/44/11/37/463441137.db2.gz YXOYDHVCECMCFI-QZTJIDSGSA-N 2 0 348.466 2.308 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC000151138377 463482646 /nfs/dbraw/zinc/48/26/46/463482646.db2.gz UQOFJNLNAOLRDM-KRWDZBQOSA-N 2 0 331.504 2.458 10 0 EEAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107829486 463584786 /nfs/dbraw/zinc/58/47/86/463584786.db2.gz GMQFQNHRGJGYEX-GOSISDBHSA-N 2 0 334.508 2.273 10 0 EEAERP CCOC(=O)c1cnc2ccccc2c1NC[C@H]1CN(C)CCO1 ZINC000108945604 463629906 /nfs/dbraw/zinc/62/99/06/463629906.db2.gz PNCMWHRCNOAAND-ZDUSSCGKSA-N 2 0 329.400 2.154 10 0 EEAERP CC(C)CN(CC(F)(F)F)C(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152412759 463686736 /nfs/dbraw/zinc/68/67/36/463686736.db2.gz SBIWZBIHXIOXBH-AWEZNQCLSA-N 2 0 337.430 2.307 10 0 EEAERP CCC[C@H](C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[NH+](C)C ZINC000152542773 463701501 /nfs/dbraw/zinc/70/15/01/463701501.db2.gz WFJXAVPQVKOUCZ-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+](C2CCC2)C1 ZINC000553526611 468371614 /nfs/dbraw/zinc/37/16/14/468371614.db2.gz ZPZLQGBDYIGQHC-MRXNPFEDSA-N 2 0 330.476 2.241 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522832092 468377476 /nfs/dbraw/zinc/37/74/76/468377476.db2.gz GVIKMXGNASQYKY-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1nc2cc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)ccc2[nH]1 ZINC000261614251 463802494 /nfs/dbraw/zinc/80/24/94/463802494.db2.gz FDPOCBDKIWCLMJ-CDHAZOANSA-N 2 0 328.416 2.342 10 0 EEAERP CC(C)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000185363991 463808339 /nfs/dbraw/zinc/80/83/39/463808339.db2.gz OLJTUCJTBUNXGD-QGZVFWFLSA-N 2 0 326.529 2.336 10 0 EEAERP COC1(C[C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CCC1 ZINC000277114299 463877768 /nfs/dbraw/zinc/87/77/68/463877768.db2.gz MWPPPBCQKAPHAC-INIZCTEOSA-N 2 0 332.492 2.271 10 0 EEAERP O=C(N[C@H]1CCc2nccn2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000229276480 464196438 /nfs/dbraw/zinc/19/64/38/464196438.db2.gz TYXUIYJFCYIFNP-ROUUACIJSA-N 2 0 338.455 2.226 10 0 EEAERP Cn1c2c(nc1[C@@H]1CCCN1C(=O)CCn1ccnc1)CCCC2 ZINC000284466745 464203030 /nfs/dbraw/zinc/20/30/30/464203030.db2.gz BBHOAVHUYZLUKS-INIZCTEOSA-N 2 0 327.432 2.249 10 0 EEAERP c1cnc(N2CCC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)nc1 ZINC000294330407 464468678 /nfs/dbraw/zinc/46/86/78/464468678.db2.gz XOZYDFOYQOTOPA-QGZVFWFLSA-N 2 0 338.459 2.099 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(Cl)c1 ZINC000295307900 464782554 /nfs/dbraw/zinc/78/25/54/464782554.db2.gz RPCZCIGXLCOMHP-UHFFFAOYSA-N 2 0 326.872 2.081 10 0 EEAERP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000248861408 464812098 /nfs/dbraw/zinc/81/20/98/464812098.db2.gz MDYCFEHTGUWGKM-JYJNAYRXSA-N 2 0 333.476 2.039 10 0 EEAERP CN(CC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000191985829 464840840 /nfs/dbraw/zinc/84/08/40/464840840.db2.gz RDLDJUQQQMGHLN-MRXNPFEDSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000286274424 464862841 /nfs/dbraw/zinc/86/28/41/464862841.db2.gz FGKJKTBNTOXZHS-GXTWGEPZSA-N 2 0 334.489 2.021 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000267017363 464905938 /nfs/dbraw/zinc/90/59/38/464905938.db2.gz HXSKQLJQTJNFSL-YQQQUEKLSA-N 2 0 344.503 2.385 10 0 EEAERP COc1c(C)cnc(CN2CCN(c3ccnc(C)n3)CC2)c1C ZINC000183810076 464913273 /nfs/dbraw/zinc/91/32/73/464913273.db2.gz PLCKICRBCOBXKJ-UHFFFAOYSA-N 2 0 327.432 2.128 10 0 EEAERP COCCCn1nccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000282742106 464928340 /nfs/dbraw/zinc/92/83/40/464928340.db2.gz UGAOSEABBMXWAH-UHFFFAOYSA-N 2 0 334.439 2.410 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CC[NH+](C)C2)C1 ZINC000252497902 464968997 /nfs/dbraw/zinc/96/89/97/464968997.db2.gz HPJYOGXRMXEUTN-AOIWGVFYSA-N 2 0 344.503 2.415 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000298184662 465326087 /nfs/dbraw/zinc/32/60/87/465326087.db2.gz DKDHBMZNHJQERL-KRWDZBQOSA-N 2 0 327.432 2.150 10 0 EEAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000351918248 465440847 /nfs/dbraw/zinc/44/08/47/465440847.db2.gz HBCVWJPYWSOJHD-MIGBEJBISA-N 2 0 336.524 2.373 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC2)[C@H]1c1cccs1 ZINC000337665353 465505154 /nfs/dbraw/zinc/50/51/54/465505154.db2.gz TWDSAUBLZOFMDU-ZBFHGGJFSA-N 2 0 336.505 2.136 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000337686789 465517533 /nfs/dbraw/zinc/51/75/33/465517533.db2.gz QQMIPPHFNWKPHA-RTBURBONSA-N 2 0 346.519 2.190 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000299112217 465607558 /nfs/dbraw/zinc/60/75/58/465607558.db2.gz QTLNPDIXHDIIRL-RTBURBONSA-N 2 0 346.519 2.190 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)(N2CCCCC2)CC1 ZINC000353523839 465951536 /nfs/dbraw/zinc/95/15/36/465951536.db2.gz CENISTFGDAOKMO-AQNXPRMDSA-N 2 0 348.579 2.399 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000363050084 466194335 /nfs/dbraw/zinc/19/43/35/466194335.db2.gz WWYKLRAKAAOLAF-UHFFFAOYSA-N 2 0 342.487 2.161 10 0 EEAERP CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349721280 466205343 /nfs/dbraw/zinc/20/53/43/466205343.db2.gz HVOMYYBWZHKCLQ-GOSISDBHSA-N 2 0 330.476 2.126 10 0 EEAERP CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349721281 466205495 /nfs/dbraw/zinc/20/54/95/466205495.db2.gz HVOMYYBWZHKCLQ-SFHVURJKSA-N 2 0 330.476 2.126 10 0 EEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000349810347 466251271 /nfs/dbraw/zinc/25/12/71/466251271.db2.gz BIYMEMUZYALSOC-UHFFFAOYSA-N 2 0 347.532 2.440 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)CC1 ZINC000372305797 466291274 /nfs/dbraw/zinc/29/12/74/466291274.db2.gz WAIKCHQYWLRTOD-HOTGVXAUSA-N 2 0 330.476 2.157 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000347424373 466625540 /nfs/dbraw/zinc/62/55/40/466625540.db2.gz UIYSWVHSHZGSLU-IHWFROFDSA-N 3 0 343.515 2.228 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423442712 466750738 /nfs/dbraw/zinc/75/07/38/466750738.db2.gz VGVQKGKRJABIJR-NWDGAFQWSA-N 2 0 330.270 2.106 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000423494963 466758425 /nfs/dbraw/zinc/75/84/25/466758425.db2.gz SYTNVQHBKKXZNN-FXAWDEMLSA-N 2 0 331.504 2.050 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662411871 472101728 /nfs/dbraw/zinc/10/17/28/472101728.db2.gz ZDMMEOAZENKVIU-AWEZNQCLSA-N 2 0 330.432 2.422 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000417208119 466801924 /nfs/dbraw/zinc/80/19/24/466801924.db2.gz ALMCVXWKTLLKRY-NEWSRXKRSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417218437 466806091 /nfs/dbraw/zinc/80/60/91/466806091.db2.gz GUTMEDDWPYLIQC-HLLBOEOZSA-N 2 0 336.524 2.279 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417323293 466834612 /nfs/dbraw/zinc/83/46/12/466834612.db2.gz GUCSBLIFPWHKOJ-MSOLQXFVSA-N 2 0 346.519 2.320 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000417423409 466857050 /nfs/dbraw/zinc/85/70/50/466857050.db2.gz QSMLGURCCVGSHO-IKGGRYGDSA-N 2 0 346.475 2.118 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC[C@H]21 ZINC000376020506 466887722 /nfs/dbraw/zinc/88/77/22/466887722.db2.gz VVQDTGVYAUBJOB-AQEOSJORSA-N 2 0 334.508 2.129 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC[C@H]21 ZINC000376020510 466887767 /nfs/dbraw/zinc/88/77/67/466887767.db2.gz VVQDTGVYAUBJOB-FCCDEINASA-N 2 0 334.508 2.129 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417656893 466900703 /nfs/dbraw/zinc/90/07/03/466900703.db2.gz VMTAHAJDIRITIW-MOPGFXCFSA-N 2 0 342.487 2.187 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000417870629 466964112 /nfs/dbraw/zinc/96/41/12/466964112.db2.gz IWWJWNPMJIZCKI-YSHGAJCASA-N 2 0 342.487 2.185 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000417903230 466979182 /nfs/dbraw/zinc/97/91/82/466979182.db2.gz YYWDSZWOXMYZLM-ULQWZQFMSA-N 2 0 332.492 2.178 10 0 EEAERP C[C@]1(CNC(=O)N2CC[C@@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418039367 467030952 /nfs/dbraw/zinc/03/09/52/467030952.db2.gz HEJLAKSNKXPKGS-PKOBYXMFSA-N 2 0 330.476 2.031 10 0 EEAERP C[C@@]1(CNC(=O)NCCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048777 467034427 /nfs/dbraw/zinc/03/44/27/467034427.db2.gz WHHXIEUEDCTJEH-FQEVSTJZSA-N 2 0 344.503 2.482 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418260180 467085275 /nfs/dbraw/zinc/08/52/75/467085275.db2.gz GPHAYNLOXWRBAW-SFHVURJKSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000418591033 467133043 /nfs/dbraw/zinc/13/30/43/467133043.db2.gz KAPMJOGRVHZEBW-ZHALLVOQSA-N 2 0 344.503 2.148 10 0 EEAERP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CCOC3C[NH2+]C3)n2)c1 ZINC000414621240 467423373 /nfs/dbraw/zinc/42/33/73/467423373.db2.gz LRBVUOYNDHCWEZ-UHFFFAOYSA-N 2 0 342.443 2.253 10 0 EEAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397569845 467442594 /nfs/dbraw/zinc/44/25/94/467442594.db2.gz XVBPIOYMBJRFPP-MOPGFXCFSA-N 2 0 332.488 2.418 10 0 EEAERP CC1(C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]2CCO[C@@H]21 ZINC000397585616 467443381 /nfs/dbraw/zinc/44/33/81/467443381.db2.gz IYFOMXVTTIDRHP-QRVBRYPASA-N 2 0 344.499 2.417 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC[NH2+]1 ZINC000415078058 467484759 /nfs/dbraw/zinc/48/47/59/467484759.db2.gz IBALRCMZMITCAR-VQIMIIECSA-N 2 0 325.456 2.374 10 0 EEAERP C[C@@H](CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000454840617 467619607 /nfs/dbraw/zinc/61/96/07/467619607.db2.gz RFEJOXHEVFRFKH-QFBILLFUSA-N 2 0 332.492 2.290 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000455436894 467682286 /nfs/dbraw/zinc/68/22/86/467682286.db2.gz VEYTYOVPCCJIHQ-LZWOXQAQSA-N 2 0 338.521 2.380 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000528649233 467721626 /nfs/dbraw/zinc/72/16/26/467721626.db2.gz LPWAVSVDIVWNCQ-LJQANCHMSA-N 2 0 330.476 2.113 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000529386428 467856218 /nfs/dbraw/zinc/85/62/18/467856218.db2.gz NFGWJTHKRISXGT-CQSZACIVSA-N 2 0 345.274 2.211 10 0 EEAERP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530029955 467942149 /nfs/dbraw/zinc/94/21/49/467942149.db2.gz QPQKBEHGNOWHSG-SFHVURJKSA-N 2 0 349.519 2.155 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000533913464 468227774 /nfs/dbraw/zinc/22/77/74/468227774.db2.gz DZDVMDMNLNFISC-NEWSRXKRSA-N 2 0 344.503 2.461 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000570160098 468598102 /nfs/dbraw/zinc/59/81/02/468598102.db2.gz WKWUEQJKWUKPQK-LEOMRAHMSA-N 2 0 330.476 2.127 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)CCC2 ZINC000594494777 468608063 /nfs/dbraw/zinc/60/80/63/468608063.db2.gz FZRFSFYZJHELBU-BEFAXECRSA-N 2 0 346.471 2.409 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557667395 468645576 /nfs/dbraw/zinc/64/55/76/468645576.db2.gz LUVAOLCWWGKNFJ-AOIWGVFYSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H](CNC(=O)N1CCC(c2ncc[nH]2)CC1)C[NH+]1CCCCC1 ZINC000588283916 469136384 /nfs/dbraw/zinc/13/63/84/469136384.db2.gz OOUGXAUZHWAYDM-OAHLLOKOSA-N 2 0 333.480 2.421 10 0 EEAERP CC[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000618555435 469388188 /nfs/dbraw/zinc/38/81/88/469388188.db2.gz XRLGZWMINHZYFO-RBUKOAKNSA-N 2 0 344.503 2.217 10 0 EEAERP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000629387641 469528191 /nfs/dbraw/zinc/52/81/91/469528191.db2.gz KKVMTCKOUOKHCL-HNNXBMFYSA-N 2 0 339.277 2.404 10 0 EEAERP C[NH2+]CCOCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000629391796 469529826 /nfs/dbraw/zinc/52/98/26/469529826.db2.gz DQVMIKLLKNSAEJ-UHFFFAOYSA-N 2 0 325.884 2.130 10 0 EEAERP C[C@]1(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612902162 469576216 /nfs/dbraw/zinc/57/62/16/469576216.db2.gz RBFYCPKWRKWIQK-OALUTQOASA-N 2 0 330.476 2.092 10 0 EEAERP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000623601411 469707299 /nfs/dbraw/zinc/70/72/99/469707299.db2.gz CJDWFCQPGILEBU-NUJGCVRESA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000626916702 469753759 /nfs/dbraw/zinc/75/37/59/469753759.db2.gz OMWRJKYJRTURTG-KBAYOESNSA-N 2 0 330.476 2.263 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(F)c1 ZINC000626922473 469755359 /nfs/dbraw/zinc/75/53/59/469755359.db2.gz YPPLDQJARNIHOX-YTQUADARSA-N 2 0 348.466 2.069 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[NH+]2CCCC2)o1 ZINC000626963389 469770672 /nfs/dbraw/zinc/77/06/72/469770672.db2.gz NCZSITGLDIGIMR-BMFZPTHFSA-N 2 0 334.464 2.165 10 0 EEAERP C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011820 469788765 /nfs/dbraw/zinc/78/87/65/469788765.db2.gz KTYDRAVWPIKVKP-GJJHYRHESA-N 2 0 348.535 2.280 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000627017228 469791111 /nfs/dbraw/zinc/79/11/11/469791111.db2.gz SWPOROOXPREKOC-IPMKNSEASA-N 2 0 344.503 2.337 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627206278 469844575 /nfs/dbraw/zinc/84/45/75/469844575.db2.gz YCMHKSGKVVGMCY-BHIYHBOVSA-N 2 0 344.503 2.433 10 0 EEAERP CCN(CC1CCN(c2ccccn2)CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627240247 469853686 /nfs/dbraw/zinc/85/36/86/469853686.db2.gz NLRKQGPPXBPQIE-DOTOQJQBSA-N 2 0 345.491 2.080 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC000621155060 470002282 /nfs/dbraw/zinc/00/22/82/470002282.db2.gz YEQYRAGKHAYPSL-KRWDZBQOSA-N 2 0 330.476 2.063 10 0 EEAERP C[C@@]1(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCCS1 ZINC000628213432 470077206 /nfs/dbraw/zinc/07/72/06/470077206.db2.gz KIVVTXMRYURZQK-SFHVURJKSA-N 2 0 349.548 2.254 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000632189630 470206871 /nfs/dbraw/zinc/20/68/71/470206871.db2.gz BLQQXKYOQLCOFD-RBUKOAKNSA-N 2 0 345.487 2.312 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCCCCC1 ZINC000634047438 470215590 /nfs/dbraw/zinc/21/55/90/470215590.db2.gz FIEQZOJKWRJEBS-DLBZAZTESA-N 2 0 336.524 2.459 10 0 EEAERP COCCC1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649281617 470525459 /nfs/dbraw/zinc/52/54/59/470525459.db2.gz XBAMIGDNYBZISA-UHFFFAOYSA-N 2 0 347.503 2.031 10 0 EEAERP COCCC1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000643788482 470784610 /nfs/dbraw/zinc/78/46/10/470784610.db2.gz YFORQUQSXSFYHL-QGZVFWFLSA-N 2 0 347.503 2.029 10 0 EEAERP COc1cc(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899150 471010353 /nfs/dbraw/zinc/01/03/53/471010353.db2.gz AVEYDSJYRDZYNR-RDTXWAMCSA-N 2 0 347.459 2.106 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899688 471010741 /nfs/dbraw/zinc/01/07/41/471010741.db2.gz SQKNQUFRFFAIAS-FMKPAKJESA-N 2 0 345.443 2.206 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654503025 471043792 /nfs/dbraw/zinc/04/37/92/471043792.db2.gz ZPFIMWLOOKNPFS-ZGUYJTEBSA-N 2 0 336.524 2.423 10 0 EEAERP CN(C(=O)N[C@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641027083 471167603 /nfs/dbraw/zinc/16/76/03/471167603.db2.gz ULIATMLEPZRAPQ-ROUUACIJSA-N 2 0 330.476 2.044 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1OCc2ccccc21 ZINC000654779296 471173207 /nfs/dbraw/zinc/17/32/07/471173207.db2.gz SEVVPDPKWCCWHD-IBGZPJMESA-N 2 0 347.503 2.380 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000657574308 471174003 /nfs/dbraw/zinc/17/40/03/471174003.db2.gz WBFMKKJTVOMTCZ-INIZCTEOSA-N 2 0 329.492 2.438 10 0 EEAERP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067965 471264386 /nfs/dbraw/zinc/26/43/86/471264386.db2.gz SWNMAIZNDBWSSA-GOSISDBHSA-N 2 0 332.492 2.352 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000652281211 471266508 /nfs/dbraw/zinc/26/65/08/471266508.db2.gz QBFDVJCTGWAPIE-UHFFFAOYSA-N 2 0 348.466 2.302 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2OC)CC1 ZINC000663506916 471404883 /nfs/dbraw/zinc/40/48/83/471404883.db2.gz XPCMEZXQLAJWIN-INIZCTEOSA-N 2 0 347.503 2.206 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659032495 471476901 /nfs/dbraw/zinc/47/69/01/471476901.db2.gz QSFRMBCALWTJEG-MAUKXSAKSA-N 2 0 346.475 2.343 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000666682939 471494218 /nfs/dbraw/zinc/49/42/18/471494218.db2.gz KLTSCRVDWNGKME-MRXNPFEDSA-N 2 0 345.491 2.092 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000669427467 471494364 /nfs/dbraw/zinc/49/43/64/471494364.db2.gz JDCSAJUALCCOJS-ONEGZZNKSA-N 2 0 330.476 2.377 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000666682937 471494431 /nfs/dbraw/zinc/49/44/31/471494431.db2.gz KLTSCRVDWNGKME-INIZCTEOSA-N 2 0 345.491 2.092 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000663849614 471547649 /nfs/dbraw/zinc/54/76/49/471547649.db2.gz TVXPWQILHYBCAL-HZPDHXFCSA-N 2 0 336.480 2.398 10 0 EEAERP c1ccc2c(c1)OCC[C@H]2C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000666978574 471611176 /nfs/dbraw/zinc/61/11/76/471611176.db2.gz TXZHGPPSGXYPHQ-AOCRQIFASA-N 2 0 329.488 2.359 10 0 EEAERP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000659473620 471645954 /nfs/dbraw/zinc/64/59/54/471645954.db2.gz LFXMDUNEHXVFHI-LAVFITLUSA-N 2 0 330.476 2.201 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659484245 471650486 /nfs/dbraw/zinc/65/04/86/471650486.db2.gz QVAKUQDVSHKIHD-IPCDKGFNSA-N 2 0 342.487 2.030 10 0 EEAERP [NH3+]C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CCCCC1 ZINC000667148639 471671659 /nfs/dbraw/zinc/67/16/59/471671659.db2.gz JDSRCKCJBTYCPU-INIZCTEOSA-N 2 0 328.420 2.296 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(CNc3ccnc4ccncc43)cc2)C1 ZINC000664238662 471690243 /nfs/dbraw/zinc/69/02/43/471690243.db2.gz JGFXWYFQCYPQHT-KRWDZBQOSA-N 2 0 334.423 2.230 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659620009 471700652 /nfs/dbraw/zinc/70/06/52/471700652.db2.gz XRKKCCZREHNZKG-IPMKNSEASA-N 2 0 344.503 2.276 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000659973455 471810310 /nfs/dbraw/zinc/81/03/10/471810310.db2.gz PZJSWNQZDVFJPA-SLFFLAALSA-N 2 0 332.488 2.492 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@H]1C ZINC000656698168 471810949 /nfs/dbraw/zinc/81/09/49/471810949.db2.gz JWOSCCFMFVVZLH-QUCCMNQESA-N 2 0 333.520 2.284 10 0 EEAERP CCN(C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000664672872 471830603 /nfs/dbraw/zinc/83/06/03/471830603.db2.gz FCLSNGADXRBGRR-NZSAHSFTSA-N 2 0 344.503 2.243 10 0 EEAERP CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837237 471876002 /nfs/dbraw/zinc/87/60/02/471876002.db2.gz TUGADPRXZYBHGL-RBUKOAKNSA-N 2 0 341.499 2.498 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000654375051 471932919 /nfs/dbraw/zinc/93/29/19/471932919.db2.gz QWNCVBBOEOMLJT-UHOSZYNNSA-N 2 0 344.503 2.463 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000665287346 471990169 /nfs/dbraw/zinc/99/01/69/471990169.db2.gz IUOPWLGMDVJKSB-SFHVURJKSA-N 2 0 345.487 2.481 10 0 EEAERP CCCN(C)CC(C)(C)[NH2+]CCc1c(C)nc2sccn2c1=O ZINC000662180643 472020891 /nfs/dbraw/zinc/02/08/91/472020891.db2.gz SWHFWVRHHOWLAV-UHFFFAOYSA-N 2 0 336.505 2.317 10 0 EEAERP O=C(NCCC[NH+]1CCCCCC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662662954 472193662 /nfs/dbraw/zinc/19/36/62/472193662.db2.gz ATGLNTJOQKEAAH-UHFFFAOYSA-N 2 0 334.464 2.138 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662700249 472214398 /nfs/dbraw/zinc/21/43/98/472214398.db2.gz GURSLZUSYYVHDZ-SFHVURJKSA-N 2 0 341.499 2.342 10 0 EEAERP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662717156 472220560 /nfs/dbraw/zinc/22/05/60/472220560.db2.gz XNKSDWBQCQKLRT-ZWKOTPCHSA-N 2 0 329.488 2.388 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793631 472253145 /nfs/dbraw/zinc/25/31/45/472253145.db2.gz KWZBELCQLSPAOR-DZGCQCFKSA-N 2 0 342.443 2.119 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143669 485571251 /nfs/dbraw/zinc/57/12/51/485571251.db2.gz ZTBKZMRTPUJMPV-RBUKOAKNSA-N 2 0 328.460 2.228 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000675892049 486090253 /nfs/dbraw/zinc/09/02/53/486090253.db2.gz WLAVCJJTPGOSIG-YOEHRIQHSA-N 2 0 340.431 2.215 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000122639850 490632262 /nfs/dbraw/zinc/63/22/62/490632262.db2.gz WJWQHYNODJWLSF-OAHLLOKOSA-N 2 0 328.464 2.435 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H](C)C1 ZINC000415947831 527749092 /nfs/dbraw/zinc/74/90/92/527749092.db2.gz SXISSMQKJUAZRL-WMLDXEAASA-N 2 0 334.464 2.218 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000180941793 682122798 /nfs/dbraw/zinc/12/27/98/682122798.db2.gz SYEKSXXWUCSCDR-FQEVSTJZSA-N 2 0 333.520 2.295 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914338192 683514281 /nfs/dbraw/zinc/51/42/81/683514281.db2.gz UDCUKFGMXQKQFL-AEFFLSMTSA-N 2 0 347.507 2.106 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000914384017 683546571 /nfs/dbraw/zinc/54/65/71/683546571.db2.gz KHYHETHRWLEFHN-APWZRJJASA-N 2 0 344.503 2.290 10 0 EEAERP CC(C)n1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000925158390 687124489 /nfs/dbraw/zinc/12/44/89/687124489.db2.gz YXOBAVDOBBVFIL-QGZVFWFLSA-N 2 0 348.539 2.460 10 0 EEAERP c1cc(N2CCC(C[NH2+][C@H]3CCOC34CCOCC4)CC2)cc[nH+]1 ZINC000925300760 691482756 /nfs/dbraw/zinc/48/27/56/691482756.db2.gz PCQFOGCXHYNBMC-SFHVURJKSA-N 2 0 331.460 2.226 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924668504 693117269 /nfs/dbraw/zinc/11/72/69/693117269.db2.gz QURLFKYJWSLPQX-QWFCFKBJSA-N 2 0 347.551 2.055 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924668501 693120015 /nfs/dbraw/zinc/12/00/15/693120015.db2.gz QURLFKYJWSLPQX-GGPKGHCWSA-N 2 0 347.551 2.055 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001485526631 1191826314 /nfs/dbraw/zinc/82/63/14/1191826314.db2.gz PYUJTDVBPIAAEC-ZBFHGGJFSA-N 2 0 347.478 2.412 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)co1 ZINC001485723033 1191909908 /nfs/dbraw/zinc/90/99/08/1191909908.db2.gz VQPUREABDIGIIK-RHSMWYFYSA-N 2 0 336.480 2.230 10 0 EEAERP CCOCCC[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001485759562 1191927180 /nfs/dbraw/zinc/92/71/80/1191927180.db2.gz ZURXOYUAZUBMQT-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1Cc1ccccn1 ZINC001266247709 1176022763 /nfs/dbraw/zinc/02/27/63/1176022763.db2.gz TUJYMSHVLSAZIR-SFHVURJKSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001480866321 1176142394 /nfs/dbraw/zinc/14/23/94/1176142394.db2.gz ZQHIGXPMTMOKHA-IBGZPJMESA-N 2 0 329.488 2.193 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660744 1177079055 /nfs/dbraw/zinc/07/90/55/1177079055.db2.gz RLZMOBVCGLWWTQ-INIZCTEOSA-N 2 0 341.858 2.164 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1C ZINC001266718364 1177268110 /nfs/dbraw/zinc/26/81/10/1177268110.db2.gz MYIZBHKGRUTGJL-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)cc1F ZINC001266759631 1177367604 /nfs/dbraw/zinc/36/76/04/1177367604.db2.gz APCPXJQYWBPFRO-UHFFFAOYSA-N 2 0 333.451 2.311 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001267011611 1178076785 /nfs/dbraw/zinc/07/67/85/1178076785.db2.gz YCNVGMXQIYIGCH-HNNXBMFYSA-N 2 0 339.505 2.040 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCCC2CCOCC2)C1)[NH+](C)C ZINC001267022122 1178107348 /nfs/dbraw/zinc/10/73/48/1178107348.db2.gz ASJQAVRXWYMVLL-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001267116961 1178280440 /nfs/dbraw/zinc/28/04/40/1178280440.db2.gz KWRBWROBBFUEIF-UHFFFAOYSA-N 2 0 326.444 2.005 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccc(Cl)nc1 ZINC001267250188 1178614581 /nfs/dbraw/zinc/61/45/81/1178614581.db2.gz IMZAGOCKLZNALS-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001267354892 1178814271 /nfs/dbraw/zinc/81/42/71/1178814271.db2.gz BLNPTCRMTAWHCO-LJQANCHMSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@@H](C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1)[NH+]1CCCCCC1 ZINC001267522245 1179256463 /nfs/dbraw/zinc/25/64/63/1179256463.db2.gz AQVIEMGWWHGXSC-PKOBYXMFSA-N 2 0 347.503 2.080 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccnc1 ZINC001481003556 1179461542 /nfs/dbraw/zinc/46/15/42/1179461542.db2.gz FSOCORVHICRUFJ-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001481056996 1179646099 /nfs/dbraw/zinc/64/60/99/1179646099.db2.gz DGZSBYOQEFSLGE-SJLPKXTDSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001481058090 1179648874 /nfs/dbraw/zinc/64/88/74/1179648874.db2.gz KNVQQFRGGKXVKT-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481098795 1179735964 /nfs/dbraw/zinc/73/59/64/1179735964.db2.gz HSXOTWPKZFCAMX-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCCc2cccc(F)c2)CC[N@@H+]1C ZINC001481231467 1180362541 /nfs/dbraw/zinc/36/25/41/1180362541.db2.gz BRFBHZLREUXYNE-CRAIPNDOSA-N 2 0 335.467 2.147 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccccc2N(C)C)CC[N@@H+]1C ZINC001481232024 1180366062 /nfs/dbraw/zinc/36/60/62/1180366062.db2.gz VJICFDSFDBMOCM-ZWKOTPCHSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001267873181 1180663790 /nfs/dbraw/zinc/66/37/90/1180663790.db2.gz HKUZZYNWEHMXIU-QAPCUYQASA-N 2 0 327.488 2.343 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001267971085 1180877233 /nfs/dbraw/zinc/87/72/33/1180877233.db2.gz YWLIGLNDRSUWCX-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001481333232 1181054235 /nfs/dbraw/zinc/05/42/35/1181054235.db2.gz IHDBMJNONODOAF-YOEHRIQHSA-N 2 0 327.488 2.293 10 0 EEAERP CCCCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481491631 1181557605 /nfs/dbraw/zinc/55/76/05/1181557605.db2.gz PQFUARYSDHBEFY-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CCCCCF)C2)C1 ZINC001481498607 1181572292 /nfs/dbraw/zinc/57/22/92/1181572292.db2.gz QOQBCJNPBLOBEK-IRXDYDNUSA-N 2 0 327.488 2.248 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCCOC)CC1 ZINC001481514706 1181618431 /nfs/dbraw/zinc/61/84/31/1181618431.db2.gz LAXAVVFOHFBCMM-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001268162493 1181878876 /nfs/dbraw/zinc/87/88/76/1181878876.db2.gz JAMJOOXABONWNY-DOTOQJQBSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccccc1C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481630476 1181946807 /nfs/dbraw/zinc/94/68/07/1181946807.db2.gz KAONROALNFTFSG-LJQANCHMSA-N 2 0 329.488 2.417 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268195399 1181989242 /nfs/dbraw/zinc/98/92/42/1181989242.db2.gz KIFDYNUWLMMPJC-ZIAGYGMSSA-N 2 0 347.425 2.251 10 0 EEAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001268252684 1182082303 /nfs/dbraw/zinc/08/23/03/1182082303.db2.gz DZCOGTDXATWDIL-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001268287697 1182166346 /nfs/dbraw/zinc/16/63/46/1182166346.db2.gz PAHJNSIDTOTUME-UXHICEINSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268366689 1182342768 /nfs/dbraw/zinc/34/27/68/1182342768.db2.gz PNTNNXWQFTXIJK-CQSZACIVSA-N 2 0 338.521 2.392 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001481728191 1182389452 /nfs/dbraw/zinc/38/94/52/1182389452.db2.gz VJWHBENANANUKX-HOTGVXAUSA-N 2 0 343.462 2.439 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268399926 1182490344 /nfs/dbraw/zinc/49/03/44/1182490344.db2.gz NYWZLLLZQMJWTP-DLBZAZTESA-N 2 0 346.519 2.079 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1scnc1C ZINC001268425702 1182593020 /nfs/dbraw/zinc/59/30/20/1182593020.db2.gz HADOLAGNNLQQRB-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001481823725 1182742799 /nfs/dbraw/zinc/74/27/99/1182742799.db2.gz KQPWDGOXLKHHGE-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCO)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001481960049 1183040511 /nfs/dbraw/zinc/04/05/11/1183040511.db2.gz FMURUEYCCKFVTO-UZLBHIALSA-N 2 0 347.503 2.009 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)nsc1C)C(=O)C[N@H+](C)C(C)C ZINC001268499898 1183041112 /nfs/dbraw/zinc/04/11/12/1183041112.db2.gz RZWLKLHJRDKNON-UHFFFAOYSA-N 2 0 326.510 2.038 10 0 EEAERP CCN(CC[NH2+]CCC1CCOCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268500323 1183043172 /nfs/dbraw/zinc/04/31/72/1183043172.db2.gz WULAVWTZYIDNSO-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001482015862 1183134156 /nfs/dbraw/zinc/13/41/56/1183134156.db2.gz KRCAYULCIAJHCA-QAQDUYKDSA-N 2 0 349.523 2.121 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)CC1 ZINC001482063286 1183278991 /nfs/dbraw/zinc/27/89/91/1183278991.db2.gz NKHLCDCCCDYXNP-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCc1cccs1 ZINC001482116372 1183354614 /nfs/dbraw/zinc/35/46/14/1183354614.db2.gz GRCDZRFQTJSURH-OAHLLOKOSA-N 2 0 335.517 2.261 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001482158531 1183477080 /nfs/dbraw/zinc/47/70/80/1183477080.db2.gz FWHVSMCIEDJCNI-IAGOWNOFSA-N 2 0 346.519 2.389 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)n1 ZINC001482172344 1183498638 /nfs/dbraw/zinc/49/86/38/1183498638.db2.gz SEBVJZKMMOALOH-INIZCTEOSA-N 2 0 346.519 2.416 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCc3ccsc3)CC2)CCC1 ZINC001269422701 1184254970 /nfs/dbraw/zinc/25/49/70/1184254970.db2.gz KXDHLQXLXZUAMV-UHFFFAOYSA-N 2 0 335.517 2.403 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CC[N@@H+]1C ZINC001270122507 1184863999 /nfs/dbraw/zinc/86/39/99/1184863999.db2.gz ZJZGBWLGNZAGHE-MELADBBJSA-N 2 0 335.414 2.250 10 0 EEAERP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCCCOC)C2)CC1)[NH+](C)C ZINC001270336579 1185027929 /nfs/dbraw/zinc/02/79/29/1185027929.db2.gz PPQXXPUPAGRCPP-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)C1CCCCC1 ZINC001270760051 1185374232 /nfs/dbraw/zinc/37/42/32/1185374232.db2.gz FQHZHFSSHISXTO-SFHVURJKSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353842 1185490626 /nfs/dbraw/zinc/49/06/26/1185490626.db2.gz LTIHFVSQFFFMAG-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482358432 1185506846 /nfs/dbraw/zinc/50/68/46/1185506846.db2.gz NBYRHICYUGDDMM-ZDUSSCGKSA-N 2 0 339.443 2.379 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1nccs1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482397168 1185605912 /nfs/dbraw/zinc/60/59/12/1185605912.db2.gz UXGTWKHUTVKYJW-LSDHHAIUSA-N 2 0 338.521 2.105 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1nccs1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482397167 1185606009 /nfs/dbraw/zinc/60/60/09/1185606009.db2.gz UXGTWKHUTVKYJW-HUUCEWRRSA-N 2 0 338.521 2.105 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482399536 1185617628 /nfs/dbraw/zinc/61/76/28/1185617628.db2.gz ZWWNNITZGYVRJG-QZTJIDSGSA-N 2 0 349.494 2.440 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccn2)CC[N@@H+]1C ZINC001482449917 1185825668 /nfs/dbraw/zinc/82/56/68/1185825668.db2.gz REYLSTJJKJPZAX-NZSAHSFTSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)no1 ZINC001271565600 1186316178 /nfs/dbraw/zinc/31/61/78/1186316178.db2.gz HWQLPNVAXFKROP-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCF)C2)o1 ZINC001271722327 1186394944 /nfs/dbraw/zinc/39/49/44/1186394944.db2.gz XTUFTKGZMXRKAZ-LSDHHAIUSA-N 2 0 339.455 2.389 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C(C)C)o1 ZINC001482537111 1186587872 /nfs/dbraw/zinc/58/78/72/1186587872.db2.gz HJSUJMZTBFEGAZ-QGZVFWFLSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC[C@@H](C)F ZINC001482542005 1186616295 /nfs/dbraw/zinc/61/62/95/1186616295.db2.gz LCOKFWVQMGIBGK-RHSMWYFYSA-N 2 0 347.438 2.359 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cn1 ZINC001272773214 1193491292 /nfs/dbraw/zinc/49/12/92/1193491292.db2.gz KXHHDRZWJZMDIQ-WMLDXEAASA-N 2 0 336.455 2.078 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001671384775 1187658122 /nfs/dbraw/zinc/65/81/22/1187658122.db2.gz PPQVTXHFOYRTAQ-IBGZPJMESA-N 2 0 347.478 2.435 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001482692775 1187659258 /nfs/dbraw/zinc/65/92/58/1187659258.db2.gz JYQJZOGFYSBNMS-RTBURBONSA-N 2 0 346.519 2.415 10 0 EEAERP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482817239 1187749901 /nfs/dbraw/zinc/74/99/01/1187749901.db2.gz SRYWKXFDHLGRHN-DGCLKSJQSA-N 2 0 329.897 2.480 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001482875663 1187795688 /nfs/dbraw/zinc/79/56/88/1187795688.db2.gz XHDYSTKWXQTENC-ZDUSSCGKSA-N 2 0 326.510 2.105 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1nc2ccccc2o1 ZINC001482902699 1187827899 /nfs/dbraw/zinc/82/78/99/1187827899.db2.gz TXLXLHHJBIRMHM-CQSZACIVSA-N 2 0 332.448 2.152 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1nc2ccccc2o1 ZINC001482902698 1187827944 /nfs/dbraw/zinc/82/79/44/1187827944.db2.gz TXLXLHHJBIRMHM-AWEZNQCLSA-N 2 0 332.448 2.152 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482914596 1187839903 /nfs/dbraw/zinc/83/99/03/1187839903.db2.gz RCSJPPCUCNEOPM-GOSISDBHSA-N 2 0 328.460 2.200 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001483025781 1188026129 /nfs/dbraw/zinc/02/61/29/1188026129.db2.gz YNVQSNFEZBSHCH-FKDQEEMOSA-N 2 0 342.487 2.169 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(F)c1F ZINC001691622920 1188322526 /nfs/dbraw/zinc/32/25/26/1188322526.db2.gz DUIDWDMNWSVBBL-MRXNPFEDSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1conc1C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001272223675 1188378993 /nfs/dbraw/zinc/37/89/93/1188378993.db2.gz IJSCNHKZYNYYLV-SJLPKXTDSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866533 1193583933 /nfs/dbraw/zinc/58/39/33/1193583933.db2.gz ZDKGUPAVKLTINW-APWZRJJASA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160565 1188981793 /nfs/dbraw/zinc/98/17/93/1188981793.db2.gz BATLLSMBEUPEGA-IPYPFGDCSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001483177912 1189038228 /nfs/dbraw/zinc/03/82/28/1189038228.db2.gz CGUGTEJSPBINQU-AQFXKWCLSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001483185213 1189051999 /nfs/dbraw/zinc/05/19/99/1189051999.db2.gz BENNXVUERNGQCT-SJKOYZFVSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483183691 1189054662 /nfs/dbraw/zinc/05/46/62/1189054662.db2.gz BHHAQEGLKLADGY-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409345467 1189556004 /nfs/dbraw/zinc/55/60/04/1189556004.db2.gz AWYMXPSOCFKXJB-LSDHHAIUSA-N 2 0 330.476 2.001 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001409351837 1189562013 /nfs/dbraw/zinc/56/20/13/1189562013.db2.gz DGEWUTLNULORAB-ZIAGYGMSSA-N 2 0 336.505 2.063 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001483233198 1189651276 /nfs/dbraw/zinc/65/12/76/1189651276.db2.gz OQFHPOLPSPDZBS-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@H](F)C[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001409462511 1189724441 /nfs/dbraw/zinc/72/44/41/1189724441.db2.gz YYFDDLQYVZGYGF-GTPINHCMSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485956491 1193648486 /nfs/dbraw/zinc/64/84/86/1193648486.db2.gz XVPYBKKNTWWOBG-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001409567539 1190045605 /nfs/dbraw/zinc/04/56/05/1190045605.db2.gz NHEKKFSZKRHRPO-QFBILLFUSA-N 2 0 346.519 2.447 10 0 EEAERP COc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)ccc1C ZINC001409611892 1190102747 /nfs/dbraw/zinc/10/27/47/1190102747.db2.gz SDZWZUAJMFBBPM-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2cnc(C)s2)CC[N@@H+]1C ZINC001483340995 1190373105 /nfs/dbraw/zinc/37/31/05/1190373105.db2.gz XWWBDGQXRBRJDC-VBNZEHGJSA-N 2 0 338.521 2.118 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(Cl)c(F)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483417315 1190464343 /nfs/dbraw/zinc/46/43/43/1190464343.db2.gz JZSKAOYAZGCGFX-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@H]1C ZINC001486092984 1193679028 /nfs/dbraw/zinc/67/90/28/1193679028.db2.gz JILUINVOKQNOFX-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001483562246 1190551672 /nfs/dbraw/zinc/55/16/72/1190551672.db2.gz ZPNJQYAPKAYHKG-ROUUACIJSA-N 2 0 348.491 2.094 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2ocnc2C)CCCCC1)[NH+](C)C ZINC001409779542 1190596083 /nfs/dbraw/zinc/59/60/83/1190596083.db2.gz PCLXJKCRRYNZIX-OAHLLOKOSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)CN1C(=O)CC[NH+](C)C ZINC001486120864 1193687459 /nfs/dbraw/zinc/68/74/59/1193687459.db2.gz FZPXYTWVJZBIFK-UKRRQHHQSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001272475316 1190840620 /nfs/dbraw/zinc/84/06/20/1190840620.db2.gz OQQRWYYWLADHSM-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)c1cnc(CNC2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001483742924 1190894871 /nfs/dbraw/zinc/89/48/71/1190894871.db2.gz OKQUKIKGXILVGC-HNNXBMFYSA-N 2 0 348.491 2.411 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1)[NH+](C)C ZINC001272615482 1190930703 /nfs/dbraw/zinc/93/07/03/1190930703.db2.gz CFKYAHAUKZHJTH-MAUKXSAKSA-N 2 0 335.467 2.494 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cnc(C)s2)C1)[NH+](C)C ZINC001272615220 1190930799 /nfs/dbraw/zinc/93/07/99/1190930799.db2.gz AIAXPHQWTAQDDX-GDBMZVCRSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC[C@@H](C)F)C2 ZINC001483832981 1191069915 /nfs/dbraw/zinc/06/99/15/1191069915.db2.gz RQBBFGDKHJGLMX-AEFFLSMTSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001483916532 1191115533 /nfs/dbraw/zinc/11/55/33/1191115533.db2.gz ADVMJMSQFFKPGX-IRXDYDNUSA-N 2 0 327.513 2.111 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483959591 1191128500 /nfs/dbraw/zinc/12/85/00/1191128500.db2.gz YWLIGLNDRSUWCX-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001483951872 1191129666 /nfs/dbraw/zinc/12/96/66/1191129666.db2.gz MSDGOUXVASJZHJ-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001484252389 1191289829 /nfs/dbraw/zinc/28/98/29/1191289829.db2.gz NDWJZDGEYBVJJW-AZUAARDMSA-N 2 0 347.503 2.031 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1nc(C)oc1C)C2 ZINC001484320280 1191303221 /nfs/dbraw/zinc/30/32/21/1191303221.db2.gz KYYGSCLETAIQRN-BBWFWOEESA-N 2 0 348.491 2.102 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001484468185 1191372707 /nfs/dbraw/zinc/37/27/07/1191372707.db2.gz YVDIUBAKAOZDPP-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)CC1 ZINC001484535551 1191399067 /nfs/dbraw/zinc/39/90/67/1191399067.db2.gz LBKJQPAIKNDLJQ-IBGZPJMESA-N 2 0 343.515 2.399 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551698 1191410652 /nfs/dbraw/zinc/41/06/52/1191410652.db2.gz OFPMLQMAOWQGCS-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCOC(C)C)CC1)[NH+](C)C ZINC001484724678 1191485145 /nfs/dbraw/zinc/48/51/45/1191485145.db2.gz SWJHEIUGOQOCLO-IRXDYDNUSA-N 2 0 327.513 2.112 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484936055 1191579837 /nfs/dbraw/zinc/57/98/37/1191579837.db2.gz AKVDASFXFXXUMP-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)n1ccc(CN2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001484988063 1191604409 /nfs/dbraw/zinc/60/44/09/1191604409.db2.gz OLNNOOBZOFJIMH-SJORKVTESA-N 2 0 349.523 2.273 10 0 EEAERP CC(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485045504 1191625053 /nfs/dbraw/zinc/62/50/53/1191625053.db2.gz ZTPROLMJYUAGLS-BHIYHBOVSA-N 2 0 329.488 2.356 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC001485077229 1191645675 /nfs/dbraw/zinc/64/56/75/1191645675.db2.gz NWQKMEYCIGQBMU-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](C[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1)OC ZINC001485098215 1191651543 /nfs/dbraw/zinc/65/15/43/1191651543.db2.gz RCWLZQMFTCTXJJ-DQPZFDDXSA-N 2 0 344.459 2.166 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147777 1191665358 /nfs/dbraw/zinc/66/53/58/1191665358.db2.gz QOTVCYKEGPGSLO-LSDHHAIUSA-N 2 0 347.507 2.032 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]Cc1ccns1 ZINC001485163693 1191675242 /nfs/dbraw/zinc/67/52/42/1191675242.db2.gz PYFNSWWLMACCQR-ZIAGYGMSSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001485176233 1191677503 /nfs/dbraw/zinc/67/75/03/1191677503.db2.gz VAYXAYRWPTWJCR-JKSUJKDBSA-N 2 0 349.523 2.058 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccnc(Cl)c1 ZINC001485373885 1191763034 /nfs/dbraw/zinc/76/30/34/1191763034.db2.gz YLVHMLNHJJWGRH-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ncsc1C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001485484575 1191800568 /nfs/dbraw/zinc/80/05/68/1191800568.db2.gz IQSUGLXNWIIATR-HNNXBMFYSA-N 2 0 347.488 2.209 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001486249868 1193776929 /nfs/dbraw/zinc/77/69/29/1193776929.db2.gz LEANKRNKTQELCF-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(CN(C)CCN(C(=O)Cn2cncc2C)C(C)C)sn1 ZINC001486372318 1193877154 /nfs/dbraw/zinc/87/71/54/1193877154.db2.gz XPQKXWBYHXZIIP-UHFFFAOYSA-N 2 0 349.504 2.325 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2cnccn2)CC1)[NH+](C)C ZINC001486448761 1193963689 /nfs/dbraw/zinc/96/36/89/1193963689.db2.gz AGOFTXZBHYNMCM-DAYGRLMNSA-N 2 0 347.507 2.095 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](C/C=C\Cl)CC2)CC1 ZINC001486490554 1194002913 /nfs/dbraw/zinc/00/29/13/1194002913.db2.gz VAJBEBWCECICFO-WTKPLQERSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](C/C=C/Cl)CC3)CC2)C1 ZINC001486491648 1194003829 /nfs/dbraw/zinc/00/38/29/1194003829.db2.gz VNNNQPGYEQCGJR-GBVWOXPPSA-N 2 0 339.911 2.442 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272956883 1194267341 /nfs/dbraw/zinc/26/73/41/1194267341.db2.gz ZBSJJBFSNICWHW-BBRMVZONSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018597 1194325543 /nfs/dbraw/zinc/32/55/43/1194325543.db2.gz MUNKYSWEURYSRF-STQMWFEESA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702097591 1195727248 /nfs/dbraw/zinc/72/72/48/1195727248.db2.gz JXMYKHLJAYXHKH-TXJVSEOTSA-N 2 0 329.488 2.340 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)o1 ZINC001410268687 1197649968 /nfs/dbraw/zinc/64/99/68/1197649968.db2.gz LCTJNINSGWVFCS-HZPDHXFCSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001410378031 1197772561 /nfs/dbraw/zinc/77/25/61/1197772561.db2.gz LMTWQWPEIPAETG-YPMHNXCESA-N 2 0 334.291 2.084 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000872044839 1198033117 /nfs/dbraw/zinc/03/31/17/1198033117.db2.gz GCVLQSSWILEFII-MOPGFXCFSA-N 2 0 347.503 2.273 10 0 EEAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155990 1198062040 /nfs/dbraw/zinc/06/20/40/1198062040.db2.gz BZRNINBQIDZIQK-ZMSDIMECSA-N 2 0 328.522 2.041 10 0 EEAERP CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157712 1198062296 /nfs/dbraw/zinc/06/22/96/1198062296.db2.gz PVUPHRRTSIHVDG-DOTOQJQBSA-N 2 0 330.538 2.431 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000872255329 1198113488 /nfs/dbraw/zinc/11/34/88/1198113488.db2.gz BZWQRRAXATZXNR-BMFZPTHFSA-N 2 0 335.835 2.015 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323453 1198165043 /nfs/dbraw/zinc/16/50/43/1198165043.db2.gz NNMPQQGHPSCSOD-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000865776808 1198371862 /nfs/dbraw/zinc/37/18/62/1198371862.db2.gz JWYPBDBSEOYDJJ-IAGOWNOFSA-N 2 0 337.508 2.009 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCC2CCOCC2)CC1 ZINC001436676496 1198438451 /nfs/dbraw/zinc/43/84/51/1198438451.db2.gz ZLMWPYSWLIKIMT-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001410908452 1198573942 /nfs/dbraw/zinc/57/39/42/1198573942.db2.gz CLSJYYXKQHQHIR-RRFJBIMHSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001411002000 1198678402 /nfs/dbraw/zinc/67/84/02/1198678402.db2.gz CSHPMOKCCWYVKC-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001411213029 1198921706 /nfs/dbraw/zinc/92/17/06/1198921706.db2.gz CEEYHMVVHGYIJC-HZPDHXFCSA-N 2 0 338.496 2.190 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001411239501 1198955327 /nfs/dbraw/zinc/95/53/27/1198955327.db2.gz XQGBPRIKPZAFMZ-HOTGVXAUSA-N 2 0 347.507 2.096 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000810651429 1199645322 /nfs/dbraw/zinc/64/53/22/1199645322.db2.gz MBLMNSWWGJYTEL-VQIMIIECSA-N 2 0 339.499 2.389 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870874328 1200924119 /nfs/dbraw/zinc/92/41/19/1200924119.db2.gz FVCVTDOOWQAPCV-SMDDNHRTSA-N 2 0 342.281 2.295 10 0 EEAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000870994829 1200997429 /nfs/dbraw/zinc/99/74/29/1200997429.db2.gz WDCCDAZEQIBVCN-JXFKEZNVSA-N 2 0 342.487 2.261 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866241877 1201474082 /nfs/dbraw/zinc/47/40/82/1201474082.db2.gz GUPVCGNTAKFWCL-RBUKOAKNSA-N 2 0 344.503 2.271 10 0 EEAERP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000866395876 1201506991 /nfs/dbraw/zinc/50/69/91/1201506991.db2.gz HMBGYAMIBLNTNM-DOPJRALCSA-N 2 0 333.451 2.379 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000868167089 1201756402 /nfs/dbraw/zinc/75/64/02/1201756402.db2.gz PKWMGEMNZBSASB-UHFFFAOYSA-N 2 0 334.464 2.409 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCCO1 ZINC001274610216 1205096210 /nfs/dbraw/zinc/09/62/10/1205096210.db2.gz MXGJWAYZGUDMGM-FDICQLOXSA-N 2 0 337.508 2.082 10 0 EEAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001274843440 1205184453 /nfs/dbraw/zinc/18/44/53/1205184453.db2.gz PLEHYQNHFHKVKG-MBVDDHJVSA-N 2 0 327.432 2.332 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1C[NH2+]CCCCCF ZINC001274997163 1205228145 /nfs/dbraw/zinc/22/81/45/1205228145.db2.gz OZIABIYMXIXUPD-ROUUACIJSA-N 2 0 339.499 2.439 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CC[C@H]2CCCO2)C1)CC(C)(C)C ZINC001275284939 1205298628 /nfs/dbraw/zinc/29/86/28/1205298628.db2.gz VYBNNHUNOASWLN-OFLPRAFFSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCCc3ccsc3)C2)C1 ZINC001275324313 1205309327 /nfs/dbraw/zinc/30/93/27/1205309327.db2.gz UHLXFMPWGHIGQY-CGZBRXJRSA-N 2 0 335.517 2.117 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275381594 1205330364 /nfs/dbraw/zinc/33/03/64/1205330364.db2.gz BBZHCTSMWOIPOL-SFHVURJKSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H](Cn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001411664979 1205478085 /nfs/dbraw/zinc/47/80/85/1205478085.db2.gz FQRLLRMUTQLXIM-CVEARBPZSA-N 2 0 348.539 2.200 10 0 EEAERP CN(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001276047585 1205750535 /nfs/dbraw/zinc/75/05/35/1205750535.db2.gz CHTXJWUVYHHFAF-UHFFFAOYSA-N 2 0 346.519 2.175 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CC[C@@H]2CCOC2)CCCCC1)[NH+](C)C ZINC001276226011 1205843586 /nfs/dbraw/zinc/84/35/86/1205843586.db2.gz HWKSTHNWLXLCEX-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cn2)CC1 ZINC000924624296 1206005952 /nfs/dbraw/zinc/00/59/52/1206005952.db2.gz ASJCDTOILJDODY-FQEVSTJZSA-N 2 0 344.503 2.128 10 0 EEAERP O[C@@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000924757991 1206027986 /nfs/dbraw/zinc/02/79/86/1206027986.db2.gz RWOMTLVEFIZMMH-RTWAWAEBSA-N 2 0 339.483 2.282 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)CN1CC[NH+](C)CC1 ZINC000924950439 1206054312 /nfs/dbraw/zinc/05/43/12/1206054312.db2.gz PJQDJAZXLLRRNH-GGPKGHCWSA-N 2 0 330.520 2.266 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)cc2)CC1 ZINC000925312302 1206094286 /nfs/dbraw/zinc/09/42/86/1206094286.db2.gz HRFAGLPMOYGSBG-QAPCUYQASA-N 2 0 345.491 2.043 10 0 EEAERP C[NH+](C)CCOc1ccccc1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925531092 1206123943 /nfs/dbraw/zinc/12/39/43/1206123943.db2.gz WRZHMJDMIBNMOK-NEWSRXKRSA-N 2 0 331.504 2.493 10 0 EEAERP CC1(C)C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623063 1206136881 /nfs/dbraw/zinc/13/68/81/1206136881.db2.gz OOHKXXZGXURRJJ-ZGXWSNOMSA-N 3 0 345.531 2.365 10 0 EEAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925774481 1206152929 /nfs/dbraw/zinc/15/29/29/1206152929.db2.gz AMVHMNXYPKBNPR-UKPHBRMFSA-N 2 0 337.414 2.077 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000925808200 1206156031 /nfs/dbraw/zinc/15/60/31/1206156031.db2.gz AWRULADTOPSSIP-PXNSSMCTSA-N 2 0 330.520 2.052 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC(F)(F)CC1 ZINC000925849446 1206160496 /nfs/dbraw/zinc/16/04/96/1206160496.db2.gz JFEDWABXRCXECG-TZMCWYRMSA-N 2 0 330.419 2.475 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925903451 1206165873 /nfs/dbraw/zinc/16/58/73/1206165873.db2.gz GBNRXFDUGMBZJY-ROUUACIJSA-N 2 0 347.507 2.246 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929485750 1206479956 /nfs/dbraw/zinc/47/99/56/1206479956.db2.gz OAQAUTGFYNCBJI-IBGZPJMESA-N 2 0 332.488 2.106 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000724627407 1230671535 /nfs/dbraw/zinc/67/15/35/1230671535.db2.gz HMKVDLPSUXGBQN-VRCPBSEVSA-N 2 0 330.472 2.291 10 0 EEAERP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000900908934 1234988314 /nfs/dbraw/zinc/98/83/14/1234988314.db2.gz NCYVSAMLAJMWQR-PKOBYXMFSA-N 2 0 349.519 2.107 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903498943 1240684963 /nfs/dbraw/zinc/68/49/63/1240684963.db2.gz OWSXAKYWTHBWEF-OPZJBCNKSA-N 2 0 332.444 2.168 10 0 EEAERP COCCN1CC[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383079912 1241368802 /nfs/dbraw/zinc/36/88/02/1241368802.db2.gz SVVQHIZQNVLLKZ-PMACEKPBSA-N 2 0 331.504 2.209 10 0 EEAERP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC000903911030 1242445142 /nfs/dbraw/zinc/44/51/42/1242445142.db2.gz VGUGFOMMXOYHOM-QGZVFWFLSA-N 2 0 325.460 2.366 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cnn1C ZINC000903912339 1242451966 /nfs/dbraw/zinc/45/19/66/1242451966.db2.gz DERBQQVPVUVRTP-HNAYVOBHSA-N 2 0 346.450 2.138 10 0 EEAERP Cc1ccc(CN2CC[C@H]([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000903925470 1242521185 /nfs/dbraw/zinc/52/11/85/1242521185.db2.gz FVOPAHMXFOIRII-IPQPSQTFSA-N 2 0 327.472 2.216 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927499 1242529561 /nfs/dbraw/zinc/52/95/61/1242529561.db2.gz SGBOGBQIRDTCHA-QFBILLFUSA-N 2 0 344.503 2.195 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc3cc(F)ccc3o1)C2 ZINC000903978639 1242834385 /nfs/dbraw/zinc/83/43/85/1242834385.db2.gz IZVXYDVHCPRGNQ-WRSAYESZSA-N 2 0 332.375 2.284 10 0 EEAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001491024645 1258582266 /nfs/dbraw/zinc/58/22/66/1258582266.db2.gz MFBLHCSUULQNNI-YUELXQCFSA-N 2 0 340.418 2.405 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001491050877 1258614437 /nfs/dbraw/zinc/61/44/37/1258614437.db2.gz OSHRQROVWVEIHA-FPMFFAJLSA-N 2 0 325.403 2.214 10 0 EEAERP COCc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001491169886 1258738275 /nfs/dbraw/zinc/73/82/75/1258738275.db2.gz HIXFKRFGBTZSFR-LJQANCHMSA-N 2 0 347.503 2.113 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001491225639 1258809675 /nfs/dbraw/zinc/80/96/75/1258809675.db2.gz HIPWLIDCDKUHRG-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF)[NH+]1CCCC1 ZINC001491236757 1258827099 /nfs/dbraw/zinc/82/70/99/1258827099.db2.gz OPQMJFMNSIBBHE-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP CN(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(=O)OC(C)(C)C ZINC000850117022 1277043320 /nfs/dbraw/zinc/04/33/20/1277043320.db2.gz TYFUPWFZYLQOAH-UHFFFAOYSA-N 2 0 331.420 2.224 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001489228693 1290479659 /nfs/dbraw/zinc/47/96/59/1290479659.db2.gz WWZZLTBWPMQRFZ-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cncs1 ZINC001490343169 1291160171 /nfs/dbraw/zinc/16/01/71/1291160171.db2.gz CLNFFVOBRVGHHZ-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(F)cc1F ZINC001490357069 1291297459 /nfs/dbraw/zinc/29/74/59/1291297459.db2.gz OHSVIFQMWBWIPU-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710823 1291596906 /nfs/dbraw/zinc/59/69/06/1291596906.db2.gz VCCIHAUGHHKQPG-YOEHRIQHSA-N 2 0 331.451 2.043 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@]1(F)CC[NH2+]C1 ZINC000852864632 1292219368 /nfs/dbraw/zinc/21/93/68/1292219368.db2.gz CFQZODUAGDDRQC-FXAWDEMLSA-N 2 0 345.462 2.107 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000857501593 1293838265 /nfs/dbraw/zinc/83/82/65/1293838265.db2.gz QQHVPAIPHPAGFC-UHFFFAOYSA-N 2 0 330.476 2.091 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857857865 1293932170 /nfs/dbraw/zinc/93/21/70/1293932170.db2.gz XPFPWHOLUNUYIJ-INIZCTEOSA-N 2 0 347.507 2.003 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858286466 1294072344 /nfs/dbraw/zinc/07/23/44/1294072344.db2.gz COEGETDCFXXIEV-HNNXBMFYSA-N 2 0 343.512 2.380 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[NH+](C)C ZINC000858413704 1294111762 /nfs/dbraw/zinc/11/17/62/1294111762.db2.gz UGEIBLYBJBUHFH-AEFFLSMTSA-N 2 0 329.488 2.355 10 0 EEAERP CCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC ZINC001276762467 1297521294 /nfs/dbraw/zinc/52/12/94/1297521294.db2.gz QRILYNLVBUXUKC-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)CC(C)(C)C ZINC001490928250 1299585201 /nfs/dbraw/zinc/58/52/01/1299585201.db2.gz KSHPXWCFBHOKAV-BZUAXINKSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)COCCN1CC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001276875656 1300036107 /nfs/dbraw/zinc/03/61/07/1300036107.db2.gz OUUOYQGJPXRVIC-HNNXBMFYSA-N 2 0 330.432 2.040 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001277074441 1301162056 /nfs/dbraw/zinc/16/20/56/1301162056.db2.gz HKCDVIADBPHKRM-RBSFLKMASA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277186740 1301722235 /nfs/dbraw/zinc/72/22/35/1301722235.db2.gz MBXDSEOXOBRKDN-LPHOPBHVSA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H](CCC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001277210768 1301837012 /nfs/dbraw/zinc/83/70/12/1301837012.db2.gz QFHGHFANXFSUDL-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001277757924 1304353056 /nfs/dbraw/zinc/35/30/56/1304353056.db2.gz YNPZNWFCKAJUHD-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOc2ccc(C)cc2)[C@H]1C ZINC001278314436 1309336615 /nfs/dbraw/zinc/33/66/15/1309336615.db2.gz DVBCZEPIBSDYLU-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCC2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001278314907 1309347245 /nfs/dbraw/zinc/34/72/45/1309347245.db2.gz GVCNHWPOOGYMRM-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278453151 1310341145 /nfs/dbraw/zinc/34/11/45/1310341145.db2.gz RSWGWBFKFHLMIT-ZHALLVOQSA-N 2 0 337.508 2.011 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001278667006 1317604237 /nfs/dbraw/zinc/60/42/37/1317604237.db2.gz KRAVGFGMHJDSTO-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCC(C)(C)C ZINC001278755096 1317980721 /nfs/dbraw/zinc/98/07/21/1317980721.db2.gz DNMSDOYHFQQGKU-IRXDYDNUSA-N 2 0 341.540 2.094 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC[NH+](CCOCC2CCC2)CC1)[NH+](C)C ZINC001265193493 1322978662 /nfs/dbraw/zinc/97/86/62/1322978662.db2.gz KGCOCUKPXMLFMC-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1c(F)cccc1F ZINC001265758684 1323366251 /nfs/dbraw/zinc/36/62/51/1323366251.db2.gz IGFFYBOPAJBTPW-SUMWQHHRSA-N 2 0 339.430 2.086 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001265851267 1323424544 /nfs/dbraw/zinc/42/45/44/1323424544.db2.gz KBBLFCMJMYGNBU-FUHWJXTLSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001266012948 1323564720 /nfs/dbraw/zinc/56/47/20/1323564720.db2.gz NYJUIDIIIXEPLJ-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cn1 ZINC001266073814 1323628905 /nfs/dbraw/zinc/62/89/05/1323628905.db2.gz PGOJUMFYRDXIBG-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CC[C@H](C[N@H+]1CC=C(CNC(=O)Cn2ccnc2C(C)C)CC1)OC ZINC001279643439 1323968079 /nfs/dbraw/zinc/96/80/79/1323968079.db2.gz GPRHJQMGZIDCPC-QGZVFWFLSA-N 2 0 348.491 2.180 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001280173714 1324104274 /nfs/dbraw/zinc/10/42/74/1324104274.db2.gz RRDJDXOSVYFQIP-KRWDZBQOSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001280263125 1324133591 /nfs/dbraw/zinc/13/35/91/1324133591.db2.gz DHRWFGRYGZPHAL-IEBWSBKVSA-N 2 0 346.519 2.304 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCc2cccs2)C2CC2)C1 ZINC001276687430 1325353031 /nfs/dbraw/zinc/35/30/31/1325353031.db2.gz RSCPBBNPTAFXCY-YOEHRIQHSA-N 2 0 335.517 2.117 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCOc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282288044 1325678408 /nfs/dbraw/zinc/67/84/08/1325678408.db2.gz BINBIVBSEIJJBV-GOSISDBHSA-N 2 0 347.503 2.234 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@]2(C)C[N@H+](CCCF)C[C@]2(C)C1 ZINC001282993474 1325872097 /nfs/dbraw/zinc/87/20/97/1325872097.db2.gz ZMPKJPZNYNRHJY-HDICACEKSA-N 2 0 327.488 2.248 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001283051529 1325901412 /nfs/dbraw/zinc/90/14/12/1325901412.db2.gz OTVMMHIPGKVIAE-HAQNSBGRSA-N 2 0 334.291 2.274 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccnc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001283190731 1325950306 /nfs/dbraw/zinc/95/03/06/1325950306.db2.gz FRNRMTFNFBMNAL-KRWDZBQOSA-N 2 0 344.503 2.332 10 0 EEAERP CCc1nocc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283223106 1325961141 /nfs/dbraw/zinc/96/11/41/1325961141.db2.gz XSTUDOIKCSJWGD-YOEHRIQHSA-N 2 0 336.480 2.096 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249353 1325971142 /nfs/dbraw/zinc/97/11/42/1325971142.db2.gz SEGMILFXZHHCPH-WMZOPIPTSA-N 2 0 349.523 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCCF)C1 ZINC001284735979 1326689068 /nfs/dbraw/zinc/68/90/68/1326689068.db2.gz DXYCDZFUXWLCON-OLZOCXBDSA-N 2 0 341.393 2.055 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)NCC1=CC[N@H+](CCCF)CC1 ZINC001284985883 1326812374 /nfs/dbraw/zinc/81/23/74/1326812374.db2.gz KNYMKCIVSGGODM-UHFFFAOYSA-N 2 0 325.472 2.360 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491839363 1330270228 /nfs/dbraw/zinc/27/02/28/1330270228.db2.gz NSFJIOWWAVPMGM-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001491992593 1330384515 /nfs/dbraw/zinc/38/45/15/1330384515.db2.gz YPMXSJAZXUBCJI-KDOFPFPSSA-N 2 0 328.460 2.247 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001492024083 1330449913 /nfs/dbraw/zinc/44/99/13/1330449913.db2.gz KAAVYNBTKPGEJD-KDOFPFPSSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316851143 1331446080 /nfs/dbraw/zinc/44/60/80/1331446080.db2.gz QDGPPVLJUACVFZ-WMLDXEAASA-N 2 0 333.467 2.385 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001316774148 1331886434 /nfs/dbraw/zinc/88/64/34/1331886434.db2.gz SUMCJOJDLMWKLB-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001316811810 1331907867 /nfs/dbraw/zinc/90/78/67/1331907867.db2.gz UWEXOKKCTGERGD-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C[C@H]1CC[C@H](C)O1 ZINC001316903727 1331969222 /nfs/dbraw/zinc/96/92/22/1331969222.db2.gz LUDNCDHKHYPBOC-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCc1ccccc1F)C1CC1 ZINC001316913680 1331979759 /nfs/dbraw/zinc/97/97/59/1331979759.db2.gz GHLLWWGPNRBQAR-LJQANCHMSA-N 2 0 347.478 2.433 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC[C@@H]1CCCCO1)C1CC1 ZINC001316914187 1331980496 /nfs/dbraw/zinc/98/04/96/1331980496.db2.gz KNAZLRMZUHDZND-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001316936407 1332001260 /nfs/dbraw/zinc/00/12/60/1332001260.db2.gz XABKNWHMAGPAOC-GOSISDBHSA-N 2 0 341.540 2.311 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001316983965 1332029373 /nfs/dbraw/zinc/02/93/73/1332029373.db2.gz YZCCEWKOUFMEKX-MJGOQNOKSA-N 2 0 347.503 2.232 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001317191043 1332123465 /nfs/dbraw/zinc/12/34/65/1332123465.db2.gz WJYGJZWOSQLVPG-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001317225419 1332143943 /nfs/dbraw/zinc/14/39/43/1332143943.db2.gz CTKYQJXCZVPXFA-UHFFFAOYSA-N 2 0 339.524 2.160 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001317304918 1332171843 /nfs/dbraw/zinc/17/18/43/1332171843.db2.gz QYYFOLPQBLKHRN-RDJZCZTQSA-N 2 0 325.472 2.334 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCCCF)C2)CC1 ZINC001317354370 1332191743 /nfs/dbraw/zinc/19/17/43/1332191743.db2.gz IGYYLLGQWCXRHX-SJORKVTESA-N 2 0 327.488 2.485 10 0 EEAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317382942 1332208152 /nfs/dbraw/zinc/20/81/52/1332208152.db2.gz XWCZLMPQQGQPEH-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncoc1C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001317514675 1332276417 /nfs/dbraw/zinc/27/64/17/1332276417.db2.gz XVTXCRDGLNDUMP-QGZVFWFLSA-N 2 0 348.491 2.330 10 0 EEAERP Cc1cccc(CCC[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001317587738 1332310822 /nfs/dbraw/zinc/31/08/22/1332310822.db2.gz VLOKKHAJRKUYAI-FQEVSTJZSA-N 2 0 343.515 2.317 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001317599131 1332318891 /nfs/dbraw/zinc/31/88/91/1332318891.db2.gz WTPMQUYUURLBGJ-GJZGRUSLSA-N 2 0 333.467 2.446 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317601087 1332319710 /nfs/dbraw/zinc/31/97/10/1332319710.db2.gz QNKKAVMSABJHGZ-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317653397 1332350875 /nfs/dbraw/zinc/35/08/75/1332350875.db2.gz FXAIQZDXUDVTHM-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317841809 1332428429 /nfs/dbraw/zinc/42/84/29/1332428429.db2.gz HSJGFTMWOIWRBH-INIZCTEOSA-N 2 0 344.459 2.073 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317852972 1332431275 /nfs/dbraw/zinc/43/12/75/1332431275.db2.gz HVJQGJUPFSYKOB-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001317868164 1332436225 /nfs/dbraw/zinc/43/62/25/1332436225.db2.gz AMJWGDGODSXVCF-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001318714131 1332582612 /nfs/dbraw/zinc/58/26/12/1332582612.db2.gz QDNQZJFOEAYTHO-HNNXBMFYSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]C/C=C\Cl)NC(=O)C[NH+]1CCCC1 ZINC001318757653 1332589283 /nfs/dbraw/zinc/58/92/83/1332589283.db2.gz IQWQFYYTEWXGIA-CGMDOEBQSA-N 2 0 327.900 2.489 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]C/C=C\Cl)NC(=O)C[NH+]1CCCC1 ZINC001318757652 1332589475 /nfs/dbraw/zinc/58/94/75/1332589475.db2.gz IQWQFYYTEWXGIA-BDUWGWSJSA-N 2 0 327.900 2.489 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001318831781 1332606850 /nfs/dbraw/zinc/60/68/50/1332606850.db2.gz XMUQWWLGFMQHLC-IEBWSBKVSA-N 2 0 346.519 2.386 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001318862553 1332613757 /nfs/dbraw/zinc/61/37/57/1332613757.db2.gz YEVURLNPJSSAKU-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001319124085 1332652650 /nfs/dbraw/zinc/65/26/50/1332652650.db2.gz ARMGOSUMQPFZDS-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)o1 ZINC001320111744 1332829233 /nfs/dbraw/zinc/82/92/33/1332829233.db2.gz QKZBEIUYNCHWGX-AEFFLSMTSA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001320452760 1332887310 /nfs/dbraw/zinc/88/73/10/1332887310.db2.gz BTRULSLAYSBSLS-BBRMVZONSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]CC2CCOCC2)ccc2c[nH+]cn21 ZINC001320474111 1332892053 /nfs/dbraw/zinc/89/20/53/1332892053.db2.gz MOMBQBDDRUBOJQ-CQSZACIVSA-N 2 0 344.459 2.167 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001320609237 1332920142 /nfs/dbraw/zinc/92/01/42/1332920142.db2.gz RMTDMCBIOYALQA-WBVHZDCISA-N 2 0 332.492 2.025 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643962 1332927601 /nfs/dbraw/zinc/92/76/01/1332927601.db2.gz ICKJQHMHXYOADD-ZFWWWQNUSA-N 2 0 331.451 2.391 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320861982 1332967099 /nfs/dbraw/zinc/96/70/99/1332967099.db2.gz DVAHVTDVAAJSPO-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001321418047 1333099049 /nfs/dbraw/zinc/09/90/49/1333099049.db2.gz XPKDESBZFZXJNA-JGPFYOFESA-N 2 0 333.451 2.461 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCC1CCOCC1 ZINC001322845809 1333339943 /nfs/dbraw/zinc/33/99/43/1333339943.db2.gz XIMAXKQYJCHUTQ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(CCCCc2ccccc2)C1 ZINC001323898541 1333569209 /nfs/dbraw/zinc/56/92/09/1333569209.db2.gz QQMDFFXMRBOJIM-IBGZPJMESA-N 2 0 329.488 2.246 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCO1)CC(C)(C)C ZINC001324226069 1333638956 /nfs/dbraw/zinc/63/89/56/1333638956.db2.gz OHJOSURJIYGDDF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC001324410556 1333676744 /nfs/dbraw/zinc/67/67/44/1333676744.db2.gz RHMJPBDRGIFLTH-ROUUACIJSA-N 2 0 348.466 2.356 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001326432792 1334092844 /nfs/dbraw/zinc/09/28/44/1334092844.db2.gz UGTPHQBIUSKNMH-SFHVURJKSA-N 2 0 344.503 2.122 10 0 EEAERP Cc1oncc1C[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001326603240 1334123176 /nfs/dbraw/zinc/12/31/76/1334123176.db2.gz IONQBUDLAMYHHU-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)C1 ZINC001326736028 1334152086 /nfs/dbraw/zinc/15/20/86/1334152086.db2.gz DSIXWHJESJYAMS-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001326760276 1334156170 /nfs/dbraw/zinc/15/61/70/1334156170.db2.gz NEFLJDFHFUHTPO-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001327033562 1334207656 /nfs/dbraw/zinc/20/76/56/1334207656.db2.gz CPHDHZUWPMSMDY-ZPUOCTKUSA-N 2 0 339.524 2.138 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001327154839 1334235923 /nfs/dbraw/zinc/23/59/23/1334235923.db2.gz AIKFNKFHOGAZGE-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001327899252 1334361169 /nfs/dbraw/zinc/36/11/69/1334361169.db2.gz BLEDOUGRGRRDHT-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001328659548 1334494665 /nfs/dbraw/zinc/49/46/65/1334494665.db2.gz NEFLJDFHFUHTPO-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328780289 1334519475 /nfs/dbraw/zinc/51/94/75/1334519475.db2.gz MDONCUADMNFZQL-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(OCCC[NH2+]C(C)C)CC2)CC[N@@H+]1C ZINC001329779336 1334713018 /nfs/dbraw/zinc/71/30/18/1334713018.db2.gz PPYJLRDOVOYMCA-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)n1 ZINC001330837514 1334912575 /nfs/dbraw/zinc/91/25/75/1334912575.db2.gz WHFLOFZNTXWPMF-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001332180479 1335754604 /nfs/dbraw/zinc/75/46/04/1335754604.db2.gz XNGVICVCPFDLAV-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1C[C@H](C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC001333352262 1336017262 /nfs/dbraw/zinc/01/72/62/1336017262.db2.gz YYDKGLVWSWXNTJ-SJLPKXTDSA-N 2 0 349.519 2.034 10 0 EEAERP Cc1ccncc1C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001333433354 1336046010 /nfs/dbraw/zinc/04/60/10/1336046010.db2.gz NWUWWUNANRJKEV-IBGZPJMESA-N 2 0 344.503 2.225 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc([C@@H](N)c2ccccc2)no1 ZINC001335837077 1336435482 /nfs/dbraw/zinc/43/54/82/1336435482.db2.gz ORLGRRVPXLPBIS-IRXDYDNUSA-N 2 0 337.427 2.250 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000849011879 1338822856 /nfs/dbraw/zinc/82/28/56/1338822856.db2.gz VPHDDVHRLBRHRK-SFHVURJKSA-N 2 0 348.491 2.200 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001434824695 1341953144 /nfs/dbraw/zinc/95/31/44/1341953144.db2.gz SNXYESOYHOBDCJ-RTBURBONSA-N 2 0 344.503 2.435 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1)C(=O)C[NH+]1CCCC1 ZINC001436327918 1342031198 /nfs/dbraw/zinc/03/11/98/1342031198.db2.gz HBDNCMHXGKDCFA-GOSISDBHSA-N 2 0 340.471 2.296 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC[C@@H](C)F)C2)CC1 ZINC001436392464 1342069230 /nfs/dbraw/zinc/06/92/30/1342069230.db2.gz SYHGRIBIQUUOCY-BFYDXBDKSA-N 2 0 327.488 2.339 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001500291744 1342139026 /nfs/dbraw/zinc/13/90/26/1342139026.db2.gz CVFJKEZUMFKWBV-FQEVSTJZSA-N 2 0 347.503 2.424 10 0 EEAERP CCOCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001500368106 1342180972 /nfs/dbraw/zinc/18/09/72/1342180972.db2.gz 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CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001570733769 1343108907 /nfs/dbraw/zinc/10/89/07/1343108907.db2.gz GSMCALKKUGDYNR-XJKSGUPXSA-N 2 0 340.899 2.258 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCc1ccccc1 ZINC001571387846 1343202112 /nfs/dbraw/zinc/20/21/12/1343202112.db2.gz DDSJDFFMEBHAHR-ZHALLVOQSA-N 2 0 331.504 2.396 10 0 EEAERP CCOCCC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C ZINC001571637023 1343257155 /nfs/dbraw/zinc/25/71/55/1343257155.db2.gz NGMFSVXMSVJOTJ-APWZRJJASA-N 2 0 339.524 2.019 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001676661753 1357176727 /nfs/dbraw/zinc/17/67/27/1357176727.db2.gz KBOSLPMOTZSDKQ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001677052292 1357271533 /nfs/dbraw/zinc/27/15/33/1357271533.db2.gz OKMVIUHEQKUSBP-GJZGRUSLSA-N 2 0 349.441 2.353 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677262714 1357303147 /nfs/dbraw/zinc/30/31/47/1357303147.db2.gz BUXJFEFHDFDMRH-IAGOWNOFSA-N 2 0 341.540 2.406 10 0 EEAERP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001621584582 1352370857 /nfs/dbraw/zinc/37/08/57/1352370857.db2.gz LYUWDCJOPFRPTL-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCCC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001649441864 1353507357 /nfs/dbraw/zinc/50/73/57/1353507357.db2.gz YYABXBMWMHLNDJ-GOSISDBHSA-N 2 0 345.503 2.062 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001649839045 1353622080 /nfs/dbraw/zinc/62/20/80/1353622080.db2.gz WLAVMTFDNZPNBY-IRXDYDNUSA-N 2 0 348.466 2.260 10 0 EEAERP CCN1CCO[C@H](C(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001650612134 1354022419 /nfs/dbraw/zinc/02/24/19/1354022419.db2.gz QKHGOTVWJCMHSM-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001657008228 1354309080 /nfs/dbraw/zinc/30/90/80/1354309080.db2.gz VEFAXDOCBFWXMF-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nc(C)c(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001660140310 1354403093 /nfs/dbraw/zinc/40/30/93/1354403093.db2.gz YPBNMWWAZSVBBZ-MRXNPFEDSA-N 2 0 336.480 2.102 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccns1 ZINC001660581396 1354493604 /nfs/dbraw/zinc/49/36/04/1354493604.db2.gz BMOYIRLBWCWBFH-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cc(C)no1 ZINC001660631183 1354504602 /nfs/dbraw/zinc/50/46/02/1354504602.db2.gz AIPYXXXAQRRIAY-IYBDPMFKSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cc(C)no1 ZINC001660631181 1354504866 /nfs/dbraw/zinc/50/48/66/1354504866.db2.gz AIPYXXXAQRRIAY-HOTGVXAUSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C[C@@H]1CCCCO1 ZINC001660632673 1354505536 /nfs/dbraw/zinc/50/55/36/1354505536.db2.gz UODUPJHURONMNO-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001661034238 1354576892 /nfs/dbraw/zinc/57/68/92/1354576892.db2.gz CKUOGLQVTATSSW-KRWDZBQOSA-N 2 0 333.476 2.118 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001661333269 1354629271 /nfs/dbraw/zinc/62/92/71/1354629271.db2.gz SESRNSYGOGWKLL-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001661610418 1354664843 /nfs/dbraw/zinc/66/48/43/1354664843.db2.gz QVNVWUOLCOWXGJ-CALCHBBNSA-N 2 0 345.487 2.095 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001662578168 1354808265 /nfs/dbraw/zinc/80/82/65/1354808265.db2.gz XQBGZFWZOHLKEQ-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001662649009 1354819571 /nfs/dbraw/zinc/81/95/71/1354819571.db2.gz DATOSIVSYDHBIV-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCOC(C)C)C1 ZINC001662728652 1354833126 /nfs/dbraw/zinc/83/31/26/1354833126.db2.gz RKCAOLMDXFXICO-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662779710 1354845198 /nfs/dbraw/zinc/84/51/98/1354845198.db2.gz POOPVGZJZBAMNS-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H](O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001663124064 1354923880 /nfs/dbraw/zinc/92/38/80/1354923880.db2.gz QBDOFDJHBQOGTC-QFBILLFUSA-N 2 0 347.503 2.103 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001663851495 1355042928 /nfs/dbraw/zinc/04/29/28/1355042928.db2.gz SLKDERNDFIMFDN-HNNXBMFYSA-N 2 0 327.831 2.121 10 0 EEAERP CN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)C1CC[NH+](C)CC1 ZINC001664160910 1355104770 /nfs/dbraw/zinc/10/47/70/1355104770.db2.gz SZAUMZCUQDZWIS-UHFFFAOYSA-N 2 0 340.471 2.125 10 0 EEAERP CN(CC[NH2+]Cc1sccc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001664314240 1355136942 /nfs/dbraw/zinc/13/69/42/1355136942.db2.gz WFALRSZDKMDSGD-UHFFFAOYSA-N 2 0 327.881 2.045 10 0 EEAERP CN(CC[NH2+]Cc1cccc2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664369940 1355148648 /nfs/dbraw/zinc/14/86/48/1355148648.db2.gz QUUDMXRSMHCZEX-SFHVURJKSA-N 2 0 325.456 2.340 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001664377550 1355149764 /nfs/dbraw/zinc/14/97/64/1355149764.db2.gz GPLJIOBYNUNMRL-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001664391932 1355152958 /nfs/dbraw/zinc/15/29/58/1355152958.db2.gz URLZTGHSAULBGB-HZPDHXFCSA-N 2 0 333.476 2.116 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001664395150 1355154196 /nfs/dbraw/zinc/15/41/96/1355154196.db2.gz NCWQJBHIJVHQRM-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCOCC(C)C)C1 ZINC001664997060 1355261445 /nfs/dbraw/zinc/26/14/45/1355261445.db2.gz ANFXXBHFYGIKOS-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001666172656 1355475552 /nfs/dbraw/zinc/47/55/52/1355475552.db2.gz KSQRGCXLBDAXHF-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001666172655 1355475604 /nfs/dbraw/zinc/47/56/04/1355475604.db2.gz KSQRGCXLBDAXHF-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]CCC(F)(F)F)CC1 ZINC001666260008 1355499088 /nfs/dbraw/zinc/49/90/88/1355499088.db2.gz ZZURAWHQLMXNQG-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668060669 1355859412 /nfs/dbraw/zinc/85/94/12/1355859412.db2.gz QLTNHWOLWFVHQS-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001669000847 1356065482 /nfs/dbraw/zinc/06/54/82/1356065482.db2.gz GEEYRSASFGTWDD-AATRIKPKSA-N 2 0 329.488 2.407 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669040175 1356075207 /nfs/dbraw/zinc/07/52/07/1356075207.db2.gz USHCKNHXYNYOKN-GRQQHNRBSA-N 2 0 331.451 2.209 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001669140025 1356105547 /nfs/dbraw/zinc/10/55/47/1356105547.db2.gz VMOYAAGKODLKKT-ZRHASKPBSA-N 2 0 339.483 2.422 10 0 EEAERP C[C@H](C[NH2+]CCCOc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669381739 1356152719 /nfs/dbraw/zinc/15/27/19/1356152719.db2.gz ULQUQDAPZOCBLT-SQNIBIBYSA-N 2 0 347.503 2.280 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001671780870 1356414096 /nfs/dbraw/zinc/41/40/96/1356414096.db2.gz ZUYQLWUTKMTBSQ-KRWDZBQOSA-N 2 0 338.883 2.015 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001672796435 1356585748 /nfs/dbraw/zinc/58/57/48/1356585748.db2.gz OXFIEPLOVTZHNK-HZSPNIEDSA-N 2 0 335.414 2.107 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001672857837 1356600419 /nfs/dbraw/zinc/60/04/19/1356600419.db2.gz FCFTZXYRQHDULY-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001672857838 1356600565 /nfs/dbraw/zinc/60/05/65/1356600565.db2.gz FCFTZXYRQHDULY-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001672911427 1356613665 /nfs/dbraw/zinc/61/36/65/1356613665.db2.gz VOUXBCYCMQODCW-DLBZAZTESA-N 2 0 347.478 2.414 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001675253077 1356951779 /nfs/dbraw/zinc/95/17/79/1356951779.db2.gz KQOFESWUOSEPPH-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)oc1C ZINC001675903965 1357066509 /nfs/dbraw/zinc/06/65/09/1357066509.db2.gz PENAWQDSMBDZGK-CXAGYDPISA-N 2 0 348.491 2.008 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCCCCF)C3)C1 ZINC001699697868 1405452337 /nfs/dbraw/zinc/45/23/37/1405452337.db2.gz ULTWSVQCKUESTD-HKUYNNGSSA-N 2 0 339.499 2.392 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2C1 ZINC001699987069 1405634953 /nfs/dbraw/zinc/63/49/53/1405634953.db2.gz FLWGRNDZFDHQRG-BBWFWOEESA-N 2 0 325.472 2.023 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)ncc1F ZINC000925810719 777463312 /nfs/dbraw/zinc/46/33/12/777463312.db2.gz FRCSUPRLYMPXSE-JTQLQIEISA-N 2 0 345.260 2.057 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000817932852 785112020 /nfs/dbraw/zinc/11/20/20/785112020.db2.gz WPWKOWSBRKJLLC-GOEBONIOSA-N 2 0 334.464 2.011 10 0 EEAERP C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)C2)C1 ZINC000908361391 785356331 /nfs/dbraw/zinc/35/63/31/785356331.db2.gz AULWJMSJIIACAP-IBGZPJMESA-N 2 0 326.444 2.459 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000819195756 785457237 /nfs/dbraw/zinc/45/72/37/785457237.db2.gz JOSBCIACTVOGKB-GOSISDBHSA-N 2 0 347.434 2.293 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)CN1CCc2ccccc2C1 ZINC000921525316 788843906 /nfs/dbraw/zinc/84/39/06/788843906.db2.gz QMWADSUDULATPT-OYNPSCLESA-N 2 0 344.499 2.200 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000844313230 788979694 /nfs/dbraw/zinc/97/96/94/788979694.db2.gz JNFUQBMWIZERRY-IEZWGBDMSA-N 2 0 343.471 2.470 10 0 EEAERP COc1ccccc1COC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923374740 789457922 /nfs/dbraw/zinc/45/79/22/789457922.db2.gz ZBDSSOOALRCEHG-GOSISDBHSA-N 2 0 346.471 2.055 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)CCc2ccccc2)C1 ZINC000923392554 789480784 /nfs/dbraw/zinc/48/07/84/789480784.db2.gz JVAQGWGEZYPAHR-WTGUMLROSA-N 2 0 332.488 2.341 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2COc3ccccc3O2)C1 ZINC000923393646 789487076 /nfs/dbraw/zinc/48/70/76/789487076.db2.gz VJXLDOSFUXZEFQ-DRMAHVMPSA-N 2 0 332.444 2.187 10 0 EEAERP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450705 789581611 /nfs/dbraw/zinc/58/16/11/789581611.db2.gz WXLNAVCJUBOJBQ-DOTOQJQBSA-N 2 0 341.459 2.158 10 0 EEAERP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923453307 789587220 /nfs/dbraw/zinc/58/72/20/789587220.db2.gz AENMHADAKOUJEU-NVXWUHKLSA-N 2 0 331.460 2.152 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923491507 789661675 /nfs/dbraw/zinc/66/16/75/789661675.db2.gz IFSBKPZVBNSWSD-SOUVJXGZSA-N 2 0 326.868 2.305 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498124 789675206 /nfs/dbraw/zinc/67/52/06/789675206.db2.gz JMOGCFPJFWJCMC-KFWWJZLASA-N 2 0 347.459 2.092 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923503439 789700635 /nfs/dbraw/zinc/70/06/35/789700635.db2.gz IFGBMIRVVAKFPG-NWDGAFQWSA-N 2 0 327.375 2.143 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914080271 794843459 /nfs/dbraw/zinc/84/34/59/794843459.db2.gz BXYHDLHAKJLQMS-AEFFLSMTSA-N 2 0 347.507 2.248 10 0 EEAERP Cn1nc2c(c1CNC1CC[NH+](C3CCCCC3)CC1)COCC2 ZINC000921809549 796418532 /nfs/dbraw/zinc/41/85/32/796418532.db2.gz IMPJLWIOCCJDJJ-UHFFFAOYSA-N 2 0 332.492 2.380 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C[NH2+]CCCF)C1 ZINC001565971845 1125478309 /nfs/dbraw/zinc/47/83/09/1125478309.db2.gz OWMOSSLTOICVQC-QZWWFDLISA-N 2 0 327.488 2.293 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H]1CCc2ccccc2C1 ZINC001566439675 1125602516 /nfs/dbraw/zinc/60/25/16/1125602516.db2.gz HJTIMFHLXFGYOE-XLIONFOSSA-N 2 0 343.515 2.324 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001566565575 1125741526 /nfs/dbraw/zinc/74/15/26/1125741526.db2.gz WBLKUHPYIKPOKH-RDJZCZTQSA-N 2 0 347.507 2.016 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC001436425166 1087791174 /nfs/dbraw/zinc/79/11/74/1087791174.db2.gz YFLOMHMWPXFQEQ-IJEWVQPXSA-N 2 0 343.462 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](Cc3cccnc3)[C@H]2C1(C)C ZINC001436448661 1087873582 /nfs/dbraw/zinc/87/35/82/1087873582.db2.gz QSCQYISBAUTVIW-BHIYHBOVSA-N 2 0 344.503 2.139 10 0 EEAERP O=C(N1CCCCC[C@H]([NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001436480455 1087960447 /nfs/dbraw/zinc/96/04/47/1087960447.db2.gz UYDBNBBMNDOBCT-AWEZNQCLSA-N 2 0 347.425 2.395 10 0 EEAERP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436499506 1088019403 /nfs/dbraw/zinc/01/94/03/1088019403.db2.gz NKZMPPXOHZOODI-CVEARBPZSA-N 2 0 347.507 2.096 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001436502709 1088035125 /nfs/dbraw/zinc/03/51/25/1088035125.db2.gz YOLSIKYDNREFSS-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C2CC2)o1 ZINC001436823779 1088423530 /nfs/dbraw/zinc/42/35/30/1088423530.db2.gz XUQJUVOXTTZQJI-ZWKOTPCHSA-N 2 0 348.491 2.230 10 0 EEAERP CO[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C)c1ccccc1 ZINC001436862854 1088517123 /nfs/dbraw/zinc/51/71/23/1088517123.db2.gz PHCLTKSGAJTZGM-OTWHNJEPSA-N 2 0 345.487 2.001 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437002712 1088763169 /nfs/dbraw/zinc/76/31/69/1088763169.db2.gz LNXCGESYQPHLER-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nc(CN2CCCC[C@H]2CNC(=O)CC2CC[NH+](C)CC2)co1 ZINC001437036207 1088876347 /nfs/dbraw/zinc/87/63/47/1088876347.db2.gz IYNUZCGNMVGYPC-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]C/C(Cl)=C\Cl)CC1 ZINC001437097905 1089059960 /nfs/dbraw/zinc/05/99/60/1089059960.db2.gz XCRZQHPELUJLSE-PXTYYWDVSA-N 2 0 334.291 2.417 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC001437124687 1089106803 /nfs/dbraw/zinc/10/68/03/1089106803.db2.gz AZLCLKOXXRKGDL-IUODEOHRSA-N 2 0 338.521 2.227 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1Cl ZINC001437251371 1089377284 /nfs/dbraw/zinc/37/72/84/1089377284.db2.gz UMZWEXPRTFEQKL-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001437314856 1089474006 /nfs/dbraw/zinc/47/40/06/1089474006.db2.gz UFILGQIJDIWIQS-LSDHHAIUSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001437325272 1089492815 /nfs/dbraw/zinc/49/28/15/1089492815.db2.gz QZEPLKAZJRUUAR-CVEARBPZSA-N 2 0 336.455 2.078 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCC[NH+]2CCCF)C1 ZINC001437673632 1090202316 /nfs/dbraw/zinc/20/23/16/1090202316.db2.gz BMISSQZAOBTUPM-PBHICJAKSA-N 2 0 331.451 2.139 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001437940431 1090534944 /nfs/dbraw/zinc/53/49/44/1090534944.db2.gz ARPJZMBKDPVLOX-QZTJIDSGSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001437960881 1090556861 /nfs/dbraw/zinc/55/68/61/1090556861.db2.gz RUENBFQGHIEXQB-HNNXBMFYSA-N 2 0 348.491 2.220 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437991600 1090588693 /nfs/dbraw/zinc/58/86/93/1090588693.db2.gz PUJAAJUCPMRCJA-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ncc(C)s1 ZINC001438308169 1090785692 /nfs/dbraw/zinc/78/56/92/1090785692.db2.gz WQJAERLFIDDBSH-CABCVRRESA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnoc1C ZINC001438313894 1090792569 /nfs/dbraw/zinc/79/25/69/1090792569.db2.gz UADAEWLWDYDHTM-FUHWJXTLSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1c(C)noc1C ZINC001438370461 1090848691 /nfs/dbraw/zinc/84/86/91/1090848691.db2.gz GTYJPPOUVUDWKN-WBVHZDCISA-N 2 0 336.480 2.150 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1cscn1)C1CC1 ZINC001438419218 1090913986 /nfs/dbraw/zinc/91/39/86/1090913986.db2.gz JEHZYJBRSHDPTH-DOTOQJQBSA-N 2 0 336.505 2.002 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]Cc2ccsc2)C2CC2)C1 ZINC001438427328 1090924091 /nfs/dbraw/zinc/92/40/91/1090924091.db2.gz WSYZPOADSGSIMX-KDOFPFPSSA-N 2 0 335.517 2.464 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)C[NH+]2CCCC2)C2CC2)cc1 ZINC001438428614 1090926916 /nfs/dbraw/zinc/92/69/16/1090926916.db2.gz KWDFJGDAABCGIL-HXUWFJFHSA-N 2 0 329.488 2.465 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC001438469609 1090975271 /nfs/dbraw/zinc/97/52/71/1090975271.db2.gz PNNYOUYOSXUQNF-OAHLLOKOSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001438754594 1091315974 /nfs/dbraw/zinc/31/59/74/1091315974.db2.gz PEHKDYNBUOQSFM-IRXDYDNUSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccncc1Cl ZINC001438765175 1091340175 /nfs/dbraw/zinc/34/01/75/1091340175.db2.gz DPJMLVFSOMBSRW-XJKSGUPXSA-N 2 0 338.883 2.013 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccncc1Cl ZINC001445653675 1091442618 /nfs/dbraw/zinc/44/26/18/1091442618.db2.gz DYBXGSFPPUZIRJ-XJKSGUPXSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C/Cl ZINC001438837922 1091466253 /nfs/dbraw/zinc/46/62/53/1091466253.db2.gz UTQPROUDUPXLGA-VJPQEFOGSA-N 2 0 336.307 2.378 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001439130939 1091776654 /nfs/dbraw/zinc/77/66/54/1091776654.db2.gz QJBGEDUEXPHVOR-APWZRJJASA-N 2 0 347.503 2.410 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cnoc2C)C2CC2)C1 ZINC001445964735 1091918042 /nfs/dbraw/zinc/91/80/42/1091918042.db2.gz GCOBGQRTMXFMNG-AEFFLSMTSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1cc(F)ccc1F ZINC001445966843 1091920812 /nfs/dbraw/zinc/92/08/12/1091920812.db2.gz JZIQFOULMSGCIZ-SJKOYZFVSA-N 2 0 339.430 2.462 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cnc(C)o2)C2CC2)C1 ZINC001445968472 1091923547 /nfs/dbraw/zinc/92/35/47/1091923547.db2.gz MWAKAGBBVOOSNF-WMZOPIPTSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)c(C)n1 ZINC001439817031 1092796391 /nfs/dbraw/zinc/79/63/91/1092796391.db2.gz QAUFYSDDDJUJGQ-LJQANCHMSA-N 2 0 346.519 2.415 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001439880573 1092929024 /nfs/dbraw/zinc/92/90/24/1092929024.db2.gz BPRQNGBBNPCINK-OALUTQOASA-N 2 0 339.499 2.437 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001439966408 1093079098 /nfs/dbraw/zinc/07/90/98/1093079098.db2.gz DPNOVQPHLILFSZ-CQSZACIVSA-N 2 0 331.451 2.343 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cncc(F)c1)C2 ZINC001440110419 1093170469 /nfs/dbraw/zinc/17/04/69/1093170469.db2.gz KLYRJJOCDFURLK-QGTPRVQTSA-N 2 0 348.466 2.030 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccccc1N(C)C ZINC001440276950 1093392948 /nfs/dbraw/zinc/39/29/48/1093392948.db2.gz QWRCSUQENWTFEG-SFHVURJKSA-N 2 0 346.519 2.126 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001440304567 1093431638 /nfs/dbraw/zinc/43/16/38/1093431638.db2.gz JYFNNJXDSZKQGN-WOVMCDHWSA-N 2 0 333.520 2.393 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001440356711 1093512563 /nfs/dbraw/zinc/51/25/63/1093512563.db2.gz MJYFIUKGGUTBRB-WKILWMFISA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001440358657 1093518676 /nfs/dbraw/zinc/51/86/76/1093518676.db2.gz WFDCEQIOTVPZQE-KRWDZBQOSA-N 2 0 348.466 2.224 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001448508126 1093534214 /nfs/dbraw/zinc/53/42/14/1093534214.db2.gz DRSLECKXXDCFJA-SAZUREKKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001440385984 1093557962 /nfs/dbraw/zinc/55/79/62/1093557962.db2.gz IKEUBSHSFGSUSE-QZTJIDSGSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC001440423055 1093618639 /nfs/dbraw/zinc/61/86/39/1093618639.db2.gz WEKSUISMHJAPDP-LSDHHAIUSA-N 2 0 349.441 2.353 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001448600405 1093662463 /nfs/dbraw/zinc/66/24/63/1093662463.db2.gz DTIZIZLWQRDSRS-QFBILLFUSA-N 2 0 347.478 2.494 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001440474485 1093702258 /nfs/dbraw/zinc/70/22/58/1093702258.db2.gz PIEUZAQHWAJYGE-MLBQELRYSA-N 2 0 327.900 2.442 10 0 EEAERP CC[N@@H+](Cc1cnccc1C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440701755 1093951331 /nfs/dbraw/zinc/95/13/31/1093951331.db2.gz JWWZOSPZWFNGRF-UHFFFAOYSA-N 2 0 346.519 2.402 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001440728670 1093974195 /nfs/dbraw/zinc/97/41/95/1093974195.db2.gz CAXUTPBQCIGGRN-MOPGFXCFSA-N 2 0 329.488 2.104 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001449031641 1094041311 /nfs/dbraw/zinc/04/13/11/1094041311.db2.gz FDZIKOBQDSIHTL-IPMKNSEASA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001440845422 1094103257 /nfs/dbraw/zinc/10/32/57/1094103257.db2.gz DZWNSAVOZTWUIX-QWHCGFSZSA-N 2 0 341.883 2.370 10 0 EEAERP CN(C[C@@H](O)C[N@H+](C)CCCC(C)(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001449203202 1094162267 /nfs/dbraw/zinc/16/22/67/1094162267.db2.gz XGNDAOOIVLIPDQ-INIZCTEOSA-N 2 0 341.540 2.048 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001440928204 1094179951 /nfs/dbraw/zinc/17/99/51/1094179951.db2.gz WUNDEGQSMOSGAR-GPMSIDNRSA-N 2 0 346.519 2.029 10 0 EEAERP Cc1ccc(CC[NH+](C)[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001440940900 1094193806 /nfs/dbraw/zinc/19/38/06/1094193806.db2.gz YHKRTEZCXYAHLN-IEBWSBKVSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001441023055 1094309043 /nfs/dbraw/zinc/30/90/43/1094309043.db2.gz KGLPHYQCEKBPOU-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001449371426 1094340019 /nfs/dbraw/zinc/34/00/19/1094340019.db2.gz ZMFUYFBXCRZEIJ-UUDVIROOSA-N 2 0 327.900 2.297 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1conc1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441124113 1094446247 /nfs/dbraw/zinc/44/62/47/1094446247.db2.gz ZIPFFXRQMQXPIM-DLBZAZTESA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001441229452 1094608840 /nfs/dbraw/zinc/60/88/40/1094608840.db2.gz BKCCNAALHLEPJP-IBBQAADRSA-N 2 0 327.900 2.486 10 0 EEAERP COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001441257870 1094657634 /nfs/dbraw/zinc/65/76/34/1094657634.db2.gz PQAPBPRJYDICTR-LPHOPBHVSA-N 2 0 345.487 2.021 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C)[NH+](C)C ZINC001441265580 1094673905 /nfs/dbraw/zinc/67/39/05/1094673905.db2.gz VXLJCMCMBLEDDN-KBPBESRZSA-N 2 0 331.451 2.199 10 0 EEAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001441421714 1095011285 /nfs/dbraw/zinc/01/12/85/1095011285.db2.gz WUQHRWMVPRXPKO-IIDMSEBBSA-N 2 0 327.488 2.482 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001441441047 1095063439 /nfs/dbraw/zinc/06/34/39/1095063439.db2.gz OOAGKSKORYPSLR-QAQDUYKDSA-N 2 0 328.460 2.245 10 0 EEAERP Cc1conc1CNC[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001441458042 1095111087 /nfs/dbraw/zinc/11/10/87/1095111087.db2.gz FAHZUTRKLZYVHJ-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001441484969 1095159489 /nfs/dbraw/zinc/15/94/89/1095159489.db2.gz OZWXMCHHGCEPCU-IYBDPMFKSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CC1CCCCC1 ZINC001441608657 1095466245 /nfs/dbraw/zinc/46/62/45/1095466245.db2.gz FBNALBCLXMLTNF-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001441656268 1095617565 /nfs/dbraw/zinc/61/75/65/1095617565.db2.gz LBANKSYQPNXGJY-ZDUSSCGKSA-N 2 0 326.872 2.012 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC001441739516 1095729060 /nfs/dbraw/zinc/72/90/60/1095729060.db2.gz DPRSPVKVYQTHEY-UHFFFAOYSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001441930306 1096118973 /nfs/dbraw/zinc/11/89/73/1096118973.db2.gz DFMPXPINDWQBPQ-AWEZNQCLSA-N 2 0 346.500 2.356 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001441951630 1096152282 /nfs/dbraw/zinc/15/22/82/1096152282.db2.gz UOTCOTUTQVBTQH-ZOBUZTSGSA-N 2 0 333.476 2.020 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC001442060616 1096273290 /nfs/dbraw/zinc/27/32/90/1096273290.db2.gz GDTCOTGZRPDNAD-WBMJQRKESA-N 2 0 338.521 2.229 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001442105819 1096331510 /nfs/dbraw/zinc/33/15/10/1096331510.db2.gz PZLOTOSLIMBPDI-IRXDYDNUSA-N 2 0 327.513 2.063 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001442136393 1096381230 /nfs/dbraw/zinc/38/12/30/1096381230.db2.gz DKWGREGMRYJLDI-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442152083 1096404621 /nfs/dbraw/zinc/40/46/21/1096404621.db2.gz YUORIXLJQSFHPF-INIZCTEOSA-N 2 0 349.523 2.243 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCC[C@@H]2CCOC2)C1 ZINC001442216776 1096509188 /nfs/dbraw/zinc/50/91/88/1096509188.db2.gz LLBSFEISEMJWAM-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001442822320 1097211183 /nfs/dbraw/zinc/21/11/83/1097211183.db2.gz QKTYOUZLLDCKCP-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC001442876541 1097269383 /nfs/dbraw/zinc/26/93/83/1097269383.db2.gz CWSAAUPJSMYQDK-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccc(C)nc1C ZINC001442951766 1097367785 /nfs/dbraw/zinc/36/77/85/1097367785.db2.gz KDPGZXPYMUPSHB-INIZCTEOSA-N 2 0 346.519 2.368 10 0 EEAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443336593 1097850223 /nfs/dbraw/zinc/85/02/23/1097850223.db2.gz QHLUIVGMNKVELF-YJBOKZPZSA-N 2 0 345.478 2.339 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC001443702470 1098208333 /nfs/dbraw/zinc/20/83/33/1098208333.db2.gz RGXZBQRGLMMETB-HNNXBMFYSA-N 2 0 337.439 2.390 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443815726 1098312625 /nfs/dbraw/zinc/31/26/25/1098312625.db2.gz KSCFRHSSBMLIEY-HNNXBMFYSA-N 2 0 338.521 2.134 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC001443827366 1098331108 /nfs/dbraw/zinc/33/11/08/1098331108.db2.gz ZLCXVRZDVHKEMV-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cncc(C)c1 ZINC001443976687 1098493522 /nfs/dbraw/zinc/49/35/22/1098493522.db2.gz VLPLYBBHYZYKMR-SZMVWBNQSA-N 2 0 332.492 2.105 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1Cl ZINC001444032364 1098551874 /nfs/dbraw/zinc/55/18/74/1098551874.db2.gz FGOAJAAKUUTMPA-DZGCQCFKSA-N 2 0 341.858 2.415 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001479486978 1098561135 /nfs/dbraw/zinc/56/11/35/1098561135.db2.gz QPRLINGKPPTZNI-SOLBZPMBSA-N 2 0 339.524 2.016 10 0 EEAERP CC[NH+](CC)CC[C@H](C)NC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001479605252 1098628376 /nfs/dbraw/zinc/62/83/76/1098628376.db2.gz STSRDGLLTRTPDO-IRXDYDNUSA-N 2 0 326.529 2.480 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[NH+]1C/C=C\Cl ZINC001479618984 1098643787 /nfs/dbraw/zinc/64/37/87/1098643787.db2.gz WJLAFDDQQVGFQE-GSRVCNLOSA-N 2 0 339.911 2.250 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CCCOC ZINC001479642562 1098672428 /nfs/dbraw/zinc/67/24/28/1098672428.db2.gz HKAIHBLAVALPSN-FGTMMUONSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001444144243 1098683269 /nfs/dbraw/zinc/68/32/69/1098683269.db2.gz VOAHHKTVHBPFAB-KXBFYZLASA-N 2 0 333.451 2.152 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001444312905 1098872156 /nfs/dbraw/zinc/87/21/56/1098872156.db2.gz XWAOQRNVSWDROW-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)CC(C)(C)C1 ZINC001479744365 1098873124 /nfs/dbraw/zinc/87/31/24/1098873124.db2.gz FHSHVMXKRKMZMW-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP CCc1ccccc1CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001479762019 1098923040 /nfs/dbraw/zinc/92/30/40/1098923040.db2.gz FZYNTSOZWCSJKG-IBGZPJMESA-N 2 0 331.504 2.324 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CC[C@H](C)F)C2)CC1 ZINC001444556731 1099354041 /nfs/dbraw/zinc/35/40/41/1099354041.db2.gz CYIQDXXFYLWGJB-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nccs1 ZINC001444632378 1099459140 /nfs/dbraw/zinc/45/91/40/1099459140.db2.gz FIJFJSFRIDWHEX-LSDHHAIUSA-N 2 0 338.521 2.200 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001480120236 1099684546 /nfs/dbraw/zinc/68/45/46/1099684546.db2.gz HJXHMPNHDAOIOY-HOCLYGCPSA-N 2 0 347.425 2.395 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001480145308 1099713115 /nfs/dbraw/zinc/71/31/15/1099713115.db2.gz VLUBFJWMHKUKTQ-XSLAGTTESA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ncccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189640 1099789135 /nfs/dbraw/zinc/78/91/35/1099789135.db2.gz QBFXMBVVMNSFJZ-MOPGFXCFSA-N 2 0 344.503 2.155 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccncc1Cl ZINC001444857598 1099845477 /nfs/dbraw/zinc/84/54/77/1099845477.db2.gz GJOJEOUTVBDEJF-HOTGVXAUSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001480284802 1099991618 /nfs/dbraw/zinc/99/16/18/1099991618.db2.gz WUNKJEKFSBHZFN-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001480357269 1100128564 /nfs/dbraw/zinc/12/85/64/1100128564.db2.gz QTWKIWUIZXLFNX-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001480359002 1100130957 /nfs/dbraw/zinc/13/09/57/1100130957.db2.gz LPOSTWUGMWOXDX-LJQANCHMSA-N 2 0 345.531 2.443 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480487574 1100297370 /nfs/dbraw/zinc/29/73/70/1100297370.db2.gz WWCVKYDWTYJALV-QZTJIDSGSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@H]1CCCOC1 ZINC001480491914 1100303803 /nfs/dbraw/zinc/30/38/03/1100303803.db2.gz XJGRBSCBVQRKID-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1Cl ZINC001495109207 1100764003 /nfs/dbraw/zinc/76/40/03/1100764003.db2.gz SSWYQXDFQUQVMH-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C2)c(C)o1 ZINC001446449010 1100868811 /nfs/dbraw/zinc/86/88/11/1100868811.db2.gz TVYAJOFMJHTAGE-BBRMVZONSA-N 2 0 336.480 2.102 10 0 EEAERP CC(C)C[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CCCC1 ZINC001446505436 1100954562 /nfs/dbraw/zinc/95/45/62/1100954562.db2.gz YSTPCTULJDKUNO-SFHVURJKSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCOCC1)NC(=O)CC[NH+](C)C ZINC001495321104 1101026944 /nfs/dbraw/zinc/02/69/44/1101026944.db2.gz NTSMOMVAYHZHPP-APWZRJJASA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1 ZINC001495378498 1101097621 /nfs/dbraw/zinc/09/76/21/1101097621.db2.gz JZTYNDUOLVJMRJ-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001495421842 1101140699 /nfs/dbraw/zinc/14/06/99/1101140699.db2.gz CKGDKPQRKHYAFF-GOSISDBHSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001496559104 1101159991 /nfs/dbraw/zinc/15/99/91/1101159991.db2.gz TWJZRRLTIXEECI-MOPGFXCFSA-N 2 0 346.519 2.493 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496644888 1101247956 /nfs/dbraw/zinc/24/79/56/1101247956.db2.gz RRJMAMMVBBPYMU-OALUTQOASA-N 2 0 347.503 2.015 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCOCC1 ZINC001446715367 1101282191 /nfs/dbraw/zinc/28/21/91/1101282191.db2.gz PRTLMKAMTNGNKL-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CC2CC2)CCC1(F)F ZINC001446721895 1101289826 /nfs/dbraw/zinc/28/98/26/1101289826.db2.gz BXIGDUZHVQGOCZ-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(CF)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496704482 1101304000 /nfs/dbraw/zinc/30/40/00/1101304000.db2.gz KZZYPTNLYZRJLF-LJQANCHMSA-N 2 0 347.478 2.388 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001496818072 1101529078 /nfs/dbraw/zinc/52/90/78/1101529078.db2.gz IMJNRVXZBNVVKB-OAHLLOKOSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446944628 1101634987 /nfs/dbraw/zinc/63/49/87/1101634987.db2.gz TXZIWOXHJDMCMB-SJLPKXTDSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446945760 1101636795 /nfs/dbraw/zinc/63/67/95/1101636795.db2.gz UUBWHESFLPUMQF-UZLBHIALSA-N 2 0 343.515 2.454 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001446953387 1101647417 /nfs/dbraw/zinc/64/74/17/1101647417.db2.gz WDZLZVHFDBXHHX-GOEBONIOSA-N 2 0 348.491 2.219 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001446965695 1101673552 /nfs/dbraw/zinc/67/35/52/1101673552.db2.gz BYQBXJUTAMLRBO-RDJZCZTQSA-N 2 0 335.467 2.352 10 0 EEAERP CC(C)COCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001495915994 1101760349 /nfs/dbraw/zinc/76/03/49/1101760349.db2.gz ZTGDKQZZBKTWND-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001447087875 1101965536 /nfs/dbraw/zinc/96/55/36/1101965536.db2.gz BBAWMBLSQDBZCV-BRWVUGGUSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1cccc2c1CC[NH+](CC1CC1)C2 ZINC001447158882 1102108263 /nfs/dbraw/zinc/10/82/63/1102108263.db2.gz XXHVIUMVFQQOAI-UHFFFAOYSA-N 2 0 329.488 2.411 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)sc1C ZINC001497207345 1102126937 /nfs/dbraw/zinc/12/69/37/1102126937.db2.gz XNCYZTASRVZMBU-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497208602 1102130284 /nfs/dbraw/zinc/13/02/84/1102130284.db2.gz SBBFHVQQMCSUJD-YOEHRIQHSA-N 2 0 336.455 2.080 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001497301225 1102280275 /nfs/dbraw/zinc/28/02/75/1102280275.db2.gz QYWBUJPBNPOPSE-SJLPKXTDSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001497304797 1102285732 /nfs/dbraw/zinc/28/57/32/1102285732.db2.gz QHMQQOADTSAUPB-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001497306817 1102288936 /nfs/dbraw/zinc/28/89/36/1102288936.db2.gz APIVBRCGDXPHOE-PWSUYJOCSA-N 2 0 332.901 2.121 10 0 EEAERP COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001447310943 1102427131 /nfs/dbraw/zinc/42/71/31/1102427131.db2.gz QTYDJECRPPAUII-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497486818 1102566625 /nfs/dbraw/zinc/56/66/25/1102566625.db2.gz UQOMLDCWFIREIF-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001447407999 1102602618 /nfs/dbraw/zinc/60/26/18/1102602618.db2.gz PKXPPRWESNYKER-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001497625135 1102770559 /nfs/dbraw/zinc/77/05/59/1102770559.db2.gz ZXGXQFHCBRFRBM-NSCUHMNNSA-N 2 0 333.501 2.447 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001497675038 1102880635 /nfs/dbraw/zinc/88/06/35/1102880635.db2.gz MWBJESHAAXAMCA-NHZBNJEXSA-N 2 0 333.451 2.491 10 0 EEAERP Cc1ccc(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c(C)n1 ZINC001447769269 1103273317 /nfs/dbraw/zinc/27/33/17/1103273317.db2.gz MWHWFDPITQLWIZ-LJQANCHMSA-N 2 0 346.519 2.461 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001494017605 1103352175 /nfs/dbraw/zinc/35/21/75/1103352175.db2.gz HULJDZOAULGDLU-COXDATCZSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001494033259 1103398030 /nfs/dbraw/zinc/39/80/30/1103398030.db2.gz WWUWVTQUNHGNFI-IEBWSBKVSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001497954373 1103407430 /nfs/dbraw/zinc/40/74/30/1103407430.db2.gz BBMOGCZMTJGSEI-WBMJQRKESA-N 2 0 339.430 2.388 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963139 1103422860 /nfs/dbraw/zinc/42/28/60/1103422860.db2.gz PQZXGWZCNLZHSE-DYVFJYSZSA-N 2 0 331.435 2.003 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001494077934 1103485159 /nfs/dbraw/zinc/48/51/59/1103485159.db2.gz DCSGDEMTJZEGPL-FUHWJXTLSA-N 2 0 333.520 2.347 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C2CCC2)o1 ZINC001447877550 1103498874 /nfs/dbraw/zinc/49/88/74/1103498874.db2.gz YIIGGYFCRNIBLY-STQMWFEESA-N 2 0 336.480 2.013 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447907801 1103569669 /nfs/dbraw/zinc/56/96/69/1103569669.db2.gz KSCHMGHUSXJNOU-IRXDYDNUSA-N 2 0 346.519 2.493 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC001447908418 1103569880 /nfs/dbraw/zinc/56/98/80/1103569880.db2.gz AYAITKVGGIXJHW-NWDGAFQWSA-N 2 0 326.510 2.085 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494171157 1103637972 /nfs/dbraw/zinc/63/79/72/1103637972.db2.gz HEVRMMDVOPTHGE-VQTJNVASSA-N 2 0 343.515 2.351 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(CF)cc1 ZINC001448128676 1104070129 /nfs/dbraw/zinc/07/01/29/1104070129.db2.gz CHXBQGKBABYXQD-CRAIPNDOSA-N 2 0 335.467 2.434 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001448277496 1104305303 /nfs/dbraw/zinc/30/53/03/1104305303.db2.gz SXTYZSLPLYDWJO-QZTJIDSGSA-N 2 0 332.492 2.331 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(F)c2)C1 ZINC001448348133 1104439988 /nfs/dbraw/zinc/43/99/88/1104439988.db2.gz URCKZRGGVYKTBA-ZBFHGGJFSA-N 2 0 333.451 2.104 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001480623123 1106784839 /nfs/dbraw/zinc/78/48/39/1106784839.db2.gz QCPMNLVYCILORX-IBGZPJMESA-N 2 0 341.499 2.214 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498086516 1106903281 /nfs/dbraw/zinc/90/32/81/1106903281.db2.gz FONVMDRVWPSTBT-ZDUSSCGKSA-N 2 0 336.480 2.014 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480696762 1106903940 /nfs/dbraw/zinc/90/39/40/1106903940.db2.gz ARSBBUPYAABQRM-SJORKVTESA-N 2 0 336.455 2.080 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2conc2C)C1 ZINC001480786305 1107115169 /nfs/dbraw/zinc/11/51/69/1107115169.db2.gz MPPHBYFFBXDYEQ-GDBMZVCRSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c(C)o1 ZINC001498490634 1107626794 /nfs/dbraw/zinc/62/67/94/1107626794.db2.gz ORZPFUZCRALYEK-CVEARBPZSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001498658464 1107910945 /nfs/dbraw/zinc/91/09/45/1107910945.db2.gz PIOVVPCZMRYHLY-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C[C@H]1CCOC1 ZINC001493316602 1107921460 /nfs/dbraw/zinc/92/14/60/1107921460.db2.gz ODOQUPDNFCFBGQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001498761362 1108048201 /nfs/dbraw/zinc/04/82/01/1108048201.db2.gz RHQMLFISSWVQJS-RTBURBONSA-N 2 0 345.462 2.152 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC001498894983 1108291914 /nfs/dbraw/zinc/29/19/14/1108291914.db2.gz YLGVSZNPILGRNB-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493585422 1108360018 /nfs/dbraw/zinc/36/00/18/1108360018.db2.gz UXHPQWRSURQNGK-GOSISDBHSA-N 2 0 349.523 2.195 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)c(C)c1 ZINC001493613874 1108404654 /nfs/dbraw/zinc/40/46/54/1108404654.db2.gz WDZFTGXJKKJPTP-UHFFFAOYSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001493819535 1108699694 /nfs/dbraw/zinc/69/96/94/1108699694.db2.gz NHCSOARYRKINJV-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001493827833 1108709489 /nfs/dbraw/zinc/70/94/89/1108709489.db2.gz QFZAEUNMPQSYIQ-BMBQCHEYSA-N 2 0 327.900 2.296 10 0 EEAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001493840057 1108724332 /nfs/dbraw/zinc/72/43/32/1108724332.db2.gz RLOOEFHRTYFQAW-ZOBUZTSGSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001463552115 1110376084 /nfs/dbraw/zinc/37/60/84/1110376084.db2.gz YSPLRPNSCJCSOZ-MRXNPFEDSA-N 2 0 348.466 2.119 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001467744300 1110462701 /nfs/dbraw/zinc/46/27/01/1110462701.db2.gz APXSVJVMKIASNC-GRTSSRMGSA-N 2 0 349.441 2.496 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001472114771 1110543674 /nfs/dbraw/zinc/54/36/74/1110543674.db2.gz GEDZTGOVROORJD-MJGOQNOKSA-N 2 0 344.503 2.060 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@]12CCOC2)c1ccccc1 ZINC001473895294 1110584460 /nfs/dbraw/zinc/58/44/60/1110584460.db2.gz GFPJRVQHDVKORG-ICSRJNTNSA-N 2 0 345.487 2.051 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C)C[C@@H]1Cc1ccccc1 ZINC001478575790 1110655299 /nfs/dbraw/zinc/65/52/99/1110655299.db2.gz VYCITWYGXUNPKW-MJGOQNOKSA-N 2 0 346.519 2.285 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001479260584 1110670585 /nfs/dbraw/zinc/67/05/85/1110670585.db2.gz WTBZTHLWOXFULX-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP O=C(NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001499228055 1112188530 /nfs/dbraw/zinc/18/85/30/1112188530.db2.gz BPUUPQSDPUSQFI-DZGCQCFKSA-N 2 0 341.446 2.002 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CCCC2)C1 ZINC001500125367 1112629391 /nfs/dbraw/zinc/62/93/91/1112629391.db2.gz HPNBDTLWSDUEKB-DLBZAZTESA-N 2 0 335.517 2.464 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](Cc2cccnc2)C1 ZINC001500553315 1112943136 /nfs/dbraw/zinc/94/31/36/1112943136.db2.gz WELFUYGXFPFOPY-IBGZPJMESA-N 2 0 332.492 2.140 10 0 EEAERP CCC(CC)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001500614221 1112977269 /nfs/dbraw/zinc/97/72/69/1112977269.db2.gz SWNBBNMNAQCDGH-OAHLLOKOSA-N 2 0 333.467 2.448 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001501091315 1113195723 /nfs/dbraw/zinc/19/57/23/1113195723.db2.gz MSYVMAQUHKDFDH-NVXWUHKLSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001501118068 1113204898 /nfs/dbraw/zinc/20/48/98/1113204898.db2.gz FROBHNSWIVYRCI-DNLHMGNTSA-N 2 0 348.318 2.474 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001501150093 1113216104 /nfs/dbraw/zinc/21/61/04/1113216104.db2.gz LKHILQCBKZWPCG-DOTOQJQBSA-N 2 0 335.467 2.352 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC[C@H]3CC3(Cl)Cl)CCC2)C1 ZINC001502026139 1113563747 /nfs/dbraw/zinc/56/37/47/1113563747.db2.gz MZKUNFHAVPREEI-OLZOCXBDSA-N 2 0 348.318 2.151 10 0 EEAERP COCc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001502396866 1113663988 /nfs/dbraw/zinc/66/39/88/1113663988.db2.gz HXVUPMDLBXQVPE-IBGZPJMESA-N 2 0 347.503 2.065 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)c(C)n1 ZINC001502967899 1113865382 /nfs/dbraw/zinc/86/53/82/1113865382.db2.gz KKDOERGIXJANHN-QAPCUYQASA-N 2 0 332.492 2.119 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001505622192 1114091083 /nfs/dbraw/zinc/09/10/83/1114091083.db2.gz QTTYBAKSBLFWAY-NEPJUHHUSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505952665 1114297665 /nfs/dbraw/zinc/29/76/65/1114297665.db2.gz FBDFWJMYCILDNQ-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cc(C)no2)CCCCC1 ZINC001506523633 1114672831 /nfs/dbraw/zinc/67/28/31/1114672831.db2.gz YOGWLLMMSDWICF-UHFFFAOYSA-N 2 0 336.480 2.234 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCC(F)(F)F)CC1(C)C ZINC001506747291 1114860754 /nfs/dbraw/zinc/86/07/54/1114860754.db2.gz DYDVVFVNGRAGTM-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001506853903 1114917878 /nfs/dbraw/zinc/91/78/78/1114917878.db2.gz MECARFVJTHWLFM-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001506907135 1114964128 /nfs/dbraw/zinc/96/41/28/1114964128.db2.gz PGGQGHQUMGCUFS-TVFCKZIOSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc(CO)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506927461 1114979622 /nfs/dbraw/zinc/97/96/22/1114979622.db2.gz IITGRDXALZBAES-APWZRJJASA-N 2 0 347.503 2.038 10 0 EEAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001506957756 1115004858 /nfs/dbraw/zinc/00/48/58/1115004858.db2.gz ABLGFLCYQLFZFZ-BHYGNILZSA-N 2 0 327.488 2.388 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1C ZINC001507319711 1115190723 /nfs/dbraw/zinc/19/07/23/1115190723.db2.gz LBTAHTDYPOWLSH-WMLDXEAASA-N 2 0 333.476 2.034 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@H]2CCCCO2)CC3)CC1 ZINC001507348555 1115211422 /nfs/dbraw/zinc/21/14/22/1115211422.db2.gz ONQMDGJPAJEHHP-UWVAXJGDSA-N 2 0 349.519 2.011 10 0 EEAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507405873 1115253690 /nfs/dbraw/zinc/25/36/90/1115253690.db2.gz BHSUNKFLMKXKDM-CABCVRRESA-N 2 0 345.422 2.115 10 0 EEAERP COCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001507447814 1115275050 /nfs/dbraw/zinc/27/50/50/1115275050.db2.gz CJWZZNIVCRQXJC-SFHVURJKSA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)C(C)(C)C1 ZINC001507451510 1115277461 /nfs/dbraw/zinc/27/74/61/1115277461.db2.gz SQFOQAOVBXFIIF-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001508082266 1115415183 /nfs/dbraw/zinc/41/51/83/1115415183.db2.gz DTWABRUWJPAVEA-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP CCOCCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001508108687 1115421455 /nfs/dbraw/zinc/42/14/55/1115421455.db2.gz QISGJJPIHOYNLD-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCCF ZINC001567958832 1124204780 /nfs/dbraw/zinc/20/47/80/1124204780.db2.gz VDXPFOQPGMBXQX-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCOc1ccccc1)C1CC1 ZINC001568026210 1124237624 /nfs/dbraw/zinc/23/76/24/1124237624.db2.gz NPEKSHIFJBPFJW-UYAOXDASSA-N 2 0 345.487 2.034 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]C/C=C/Cl)cc2)CC[N@@H+]1C ZINC001568118408 1124312317 /nfs/dbraw/zinc/31/23/17/1124312317.db2.gz RUSWLCKDBYBTJP-PFSXNCNCSA-N 2 0 335.879 2.485 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568151583 1124328060 /nfs/dbraw/zinc/32/80/60/1124328060.db2.gz GMMKTMBQLGXUBO-VQTJNVASSA-N 2 0 343.515 2.324 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCF)C1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001568343577 1124428338 /nfs/dbraw/zinc/42/83/38/1124428338.db2.gz LSZZIWSKINCQFH-KRWDZBQOSA-N 2 0 339.499 2.487 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001568396668 1124466607 /nfs/dbraw/zinc/46/66/07/1124466607.db2.gz JPOMKEXZQSBHGV-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001568529261 1124591403 /nfs/dbraw/zinc/59/14/03/1124591403.db2.gz XRNFVRJZXUKPSH-GXTWGEPZSA-N 2 0 327.469 2.267 10 0 EEAERP CCN(CC[NH2+]CCCc1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568731011 1124746514 /nfs/dbraw/zinc/74/65/14/1124746514.db2.gz VTEFUZBREKOMDX-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568852509 1124872563 /nfs/dbraw/zinc/87/25/63/1124872563.db2.gz WKQKYSPRPRPLLZ-YADGQWAMSA-N 2 0 341.499 2.353 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(C(F)F)cc1)C12CC[NH+](CC1)C2 ZINC001568949881 1124984587 /nfs/dbraw/zinc/98/45/87/1124984587.db2.gz GOGJKPRHYGOHFL-OWOJBTEDSA-N 2 0 349.425 2.482 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001565857089 1125437744 /nfs/dbraw/zinc/43/77/44/1125437744.db2.gz ZUPYMRHLVAKKSV-GBESFXJTSA-N 2 0 329.488 2.055 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1OCC[C@H]1CCC[N@@H+]1C ZINC000051549456 214097382 /nfs/dbraw/zinc/09/73/82/214097382.db2.gz KTGYWQDTENTQKY-CYBMUJFWSA-N 2 0 328.254 2.427 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccs1 ZINC000173928837 231073742 /nfs/dbraw/zinc/07/37/42/231073742.db2.gz PMIMEJDMDABPIJ-LSDHHAIUSA-N 2 0 334.489 2.007 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416228601 239134434 /nfs/dbraw/zinc/13/44/34/239134434.db2.gz YTEVOLWVXUGQCA-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422876548 240271888 /nfs/dbraw/zinc/27/18/88/240271888.db2.gz QIWUPIOTLFBQLQ-QMTMVMCOSA-N 2 0 333.476 2.260 10 0 EEAERP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438345457 242010701 /nfs/dbraw/zinc/01/07/01/242010701.db2.gz MPJXLUPRZJZZHU-GOSISDBHSA-N 2 0 345.491 2.012 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854694 256244011 /nfs/dbraw/zinc/24/40/11/256244011.db2.gz TVAWWTTVEFONCP-UHOSZYNNSA-N 2 0 344.503 2.290 10 0 EEAERP CC1CC[NH+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000080351101 292199916 /nfs/dbraw/zinc/19/99/16/292199916.db2.gz MEFCDSHRAWQSIH-UHFFFAOYSA-N 2 0 333.476 2.089 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000359455300 153372883 /nfs/dbraw/zinc/37/28/83/153372883.db2.gz DIMABEPFVQXJEY-MRXNPFEDSA-N 2 0 333.476 2.041 10 0 EEAERP C[NH+](C)C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000128206752 292338032 /nfs/dbraw/zinc/33/80/32/292338032.db2.gz UQCMOAKYKCBUJK-IBGZPJMESA-N 2 0 333.520 2.407 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H](C)C1 ZINC000128434803 292342207 /nfs/dbraw/zinc/34/22/07/292342207.db2.gz MPAZLUBTTBIYTR-IKGGRYGDSA-N 2 0 326.529 2.334 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)C1(COC)CC[NH2+]CC1)[NH+]1CCCC1 ZINC000262377543 160453191 /nfs/dbraw/zinc/45/31/91/160453191.db2.gz NFJXRVNVJBVYCM-QGZVFWFLSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCOC3=O)CC2)C[C@@H](C)O1 ZINC000246391881 160277076 /nfs/dbraw/zinc/27/70/76/160277076.db2.gz JYAGHJZFONZOIT-NUJGCVRESA-N 2 0 338.492 2.151 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000247095504 160309424 /nfs/dbraw/zinc/30/94/24/160309424.db2.gz JJLFYLCKADAQIY-MSOLQXFVSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247222297 160315509 /nfs/dbraw/zinc/31/55/09/160315509.db2.gz CCPSJTGUVDZXMX-KSZLIROESA-N 2 0 336.524 2.234 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000247295929 160318696 /nfs/dbraw/zinc/31/86/96/160318696.db2.gz UMXSVYLJADYYGJ-YTQUADARSA-N 2 0 344.503 2.283 10 0 EEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247743386 160331957 /nfs/dbraw/zinc/33/19/57/160331957.db2.gz NYPCGHCOENBXOM-QUCCMNQESA-N 2 0 331.504 2.474 10 0 EEAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343190969 161111574 /nfs/dbraw/zinc/11/15/74/161111574.db2.gz HAESICFTFDJCGV-PDOICOKGSA-N 2 0 331.504 2.336 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000346370478 161366932 /nfs/dbraw/zinc/36/69/32/161366932.db2.gz KWDTYZMEEBJOLJ-FUHWJXTLSA-N 2 0 344.503 2.041 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000355003538 163047159 /nfs/dbraw/zinc/04/71/59/163047159.db2.gz SWTIIUOEJRKGJU-LJQANCHMSA-N 2 0 347.503 2.160 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)CC1 ZINC000355197116 163108185 /nfs/dbraw/zinc/10/81/85/163108185.db2.gz LABRFKUIAXQLTD-FXAWDEMLSA-N 2 0 331.504 2.421 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+]2CCC1CC2 ZINC000376699667 167377644 /nfs/dbraw/zinc/37/76/44/167377644.db2.gz JLCIGJYKFJNHKD-UHFFFAOYSA-N 2 0 334.508 2.273 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000179471450 277165940 /nfs/dbraw/zinc/16/59/40/277165940.db2.gz XDLOQVMYUVJJNO-FHWLQOOXSA-N 2 0 340.471 2.088 10 0 EEAERP CC1=CCN(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423030632 278502975 /nfs/dbraw/zinc/50/29/75/278502975.db2.gz CBFZEWUUUMTIRS-UYAOXDASSA-N 2 0 327.472 2.484 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)c2ccccc2O1 ZINC000361710318 289201234 /nfs/dbraw/zinc/20/12/34/289201234.db2.gz IAQQTPPAHSFAMV-MRXNPFEDSA-N 2 0 325.412 2.115 10 0 EEAERP [NH3+][C@@H]1CCC[C@H](C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)C1 ZINC000249121007 303462566 /nfs/dbraw/zinc/46/25/66/303462566.db2.gz PVSATTCHMNCFGJ-JZXOWHBKSA-N 2 0 330.476 2.070 10 0 EEAERP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000333604529 312172356 /nfs/dbraw/zinc/17/23/56/312172356.db2.gz PWWKQMJBOYSABP-RDBSUJKOSA-N 2 0 334.489 2.469 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000333840705 312204441 /nfs/dbraw/zinc/20/44/41/312204441.db2.gz OERLGHUFAXYYGL-BZSNNMDCSA-N 2 0 336.524 2.411 10 0 EEAERP C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760085 313078618 /nfs/dbraw/zinc/07/86/18/313078618.db2.gz XQVDLCZVXQHOCN-GFCCVEGCSA-N 2 0 327.831 2.108 10 0 EEAERP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000416874251 313343953 /nfs/dbraw/zinc/34/39/53/313343953.db2.gz PBOYIJMVHXLBSC-CRAIPNDOSA-N 2 0 330.476 2.161 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417181572 313442721 /nfs/dbraw/zinc/44/27/21/313442721.db2.gz IDLSFHOJQGGTCL-CGTJXYLNSA-N 2 0 332.492 2.071 10 0 EEAERP [NH3+]C[C@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000417834069 313613182 /nfs/dbraw/zinc/61/31/82/313613182.db2.gz SMAPOUNPBIOVKY-ACBHZAAOSA-N 2 0 341.455 2.242 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417908403 313645377 /nfs/dbraw/zinc/64/53/77/313645377.db2.gz BJDVXRROFJNYEP-UHFFFAOYSA-N 2 0 332.492 2.277 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015816 317303562 /nfs/dbraw/zinc/30/35/62/317303562.db2.gz YYOCZCWELDAMLH-CZUORRHYSA-N 2 0 337.489 2.002 10 0 EEAERP CC[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000541787256 318109322 /nfs/dbraw/zinc/10/93/22/318109322.db2.gz OAMJWENYRUTLQK-IBGZPJMESA-N 2 0 346.519 2.416 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000565152251 319153238 /nfs/dbraw/zinc/15/32/38/319153238.db2.gz ZCQIIVQCUGXKID-UHFFFAOYSA-N 2 0 347.528 2.279 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000576680506 320194182 /nfs/dbraw/zinc/19/41/82/320194182.db2.gz NZYURYVOPBZUQJ-GASCZTMLSA-N 2 0 329.448 2.396 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000577172409 320238025 /nfs/dbraw/zinc/23/80/25/320238025.db2.gz SUVWUBYOWMQXDJ-LJQANCHMSA-N 2 0 347.503 2.009 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccccc1 ZINC000578306562 320305956 /nfs/dbraw/zinc/30/59/56/320305956.db2.gz UTGIIRAQNPQYLH-IRXDYDNUSA-N 2 0 330.476 2.393 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186410289 323444530 /nfs/dbraw/zinc/44/45/30/323444530.db2.gz CPDSCNFXWWCXHP-UHFFFAOYSA-N 2 0 326.529 2.338 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578608755 323665654 /nfs/dbraw/zinc/66/56/54/323665654.db2.gz LZTVQTFQMKDXDJ-MRXNPFEDSA-N 2 0 327.432 2.169 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000579591661 323889310 /nfs/dbraw/zinc/88/93/10/323889310.db2.gz HYDQMFUYZFMLNH-LSDHHAIUSA-N 2 0 333.480 2.076 10 0 EEAERP C[C@@]1(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000580420607 324059084 /nfs/dbraw/zinc/05/90/84/324059084.db2.gz AWRTZDUMUMXZNY-HXUWFJFHSA-N 2 0 329.488 2.348 10 0 EEAERP O[C@@H](COCc1cccs1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080840 465025666 /nfs/dbraw/zinc/02/56/66/465025666.db2.gz VDQLWGLJPQYLIC-QGZVFWFLSA-N 2 0 338.517 2.433 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000339237663 465159278 /nfs/dbraw/zinc/15/92/78/465159278.db2.gz TVHQBNJMCXCESI-LJQANCHMSA-N 2 0 338.455 2.148 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000568151888 468278503 /nfs/dbraw/zinc/27/85/03/468278503.db2.gz OSBHXLRXWPBMLZ-VQIMIIECSA-N 2 0 327.472 2.277 10 0 EEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918802 462554544 /nfs/dbraw/zinc/55/45/44/462554544.db2.gz FVCRWBFPANNSNG-FQEVSTJZSA-N 2 0 343.515 2.494 10 0 EEAERP CN1CC[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000133944686 462987067 /nfs/dbraw/zinc/98/70/67/462987067.db2.gz RNOZZADBVYWBKJ-CABCVRRESA-N 2 0 342.846 2.085 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000568489941 468344621 /nfs/dbraw/zinc/34/46/21/468344621.db2.gz QPHIAOIFJYEJSB-KBXCAEBGSA-N 2 0 348.466 2.087 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000069431892 463245744 /nfs/dbraw/zinc/24/57/44/463245744.db2.gz ZMFTYAGZLGPFFV-UHFFFAOYSA-N 2 0 345.256 2.382 10 0 EEAERP C[C@@H](Cc1cccc(F)c1)C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000069841800 463335741 /nfs/dbraw/zinc/33/57/41/463335741.db2.gz NDXGPSGYNOJIJS-INIZCTEOSA-N 2 0 349.494 2.489 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000073490798 463617537 /nfs/dbraw/zinc/61/75/37/463617537.db2.gz SDWUMSZBVREFHM-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170828672 463715996 /nfs/dbraw/zinc/71/59/96/463715996.db2.gz SFACHEAAUHVLKA-LJQANCHMSA-N 2 0 344.503 2.039 10 0 EEAERP Cc1c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cnn1C ZINC000277048411 463856267 /nfs/dbraw/zinc/85/62/67/463856267.db2.gz QBZBKJMWKMQSHJ-IBGZPJMESA-N 2 0 328.460 2.109 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579591658 468382158 /nfs/dbraw/zinc/38/21/58/468382158.db2.gz HYDQMFUYZFMLNH-CABCVRRESA-N 2 0 333.480 2.076 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171774897 463925073 /nfs/dbraw/zinc/92/50/73/463925073.db2.gz LVJWXECSBSQCME-IAGOWNOFSA-N 2 0 336.524 2.377 10 0 EEAERP COc1c(C)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000262139671 463956501 /nfs/dbraw/zinc/95/65/01/463956501.db2.gz ZBGOBJCZROMWCK-KRWDZBQOSA-N 2 0 333.476 2.132 10 0 EEAERP C[C@@H](c1cccnc1)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000279145502 464043536 /nfs/dbraw/zinc/04/35/36/464043536.db2.gz GRZOXNHWEWLTGP-ULQDDVLXSA-N 2 0 330.476 2.017 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000173326206 464241061 /nfs/dbraw/zinc/24/10/61/464241061.db2.gz VGGKQYVBMFUREN-NXHRZFHOSA-N 2 0 332.492 2.413 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180358839 464293328 /nfs/dbraw/zinc/29/33/28/464293328.db2.gz WADFDIVQYMVWCC-KRWDZBQOSA-N 2 0 345.491 2.082 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000246393798 464579081 /nfs/dbraw/zinc/57/90/81/464579081.db2.gz RDKJUEKCERMAAU-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000182311324 464625254 /nfs/dbraw/zinc/62/52/54/464625254.db2.gz OSNYWEODZYFNJU-HKUYNNGSSA-N 2 0 347.503 2.119 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000247497083 464686321 /nfs/dbraw/zinc/68/63/21/464686321.db2.gz USEJPUFAWAHXEQ-BRWVUGGUSA-N 2 0 346.475 2.295 10 0 EEAERP C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000348207614 465490808 /nfs/dbraw/zinc/49/08/08/465490808.db2.gz PVDROVRYODYCGU-LPHOPBHVSA-N 2 0 343.471 2.449 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000340088211 465755552 /nfs/dbraw/zinc/75/55/52/465755552.db2.gz KIWKAJHGJMXEAE-ROUUACIJSA-N 2 0 332.492 2.463 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000353466061 465905384 /nfs/dbraw/zinc/90/53/84/465905384.db2.gz YATHZOAOOVZKFJ-MHORFTMASA-N 2 0 336.524 2.375 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](O)CC(C)(C)C ZINC000362687878 465941239 /nfs/dbraw/zinc/94/12/39/465941239.db2.gz XLDRRDVRWDWBOY-IRXDYDNUSA-N 2 0 341.540 2.048 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000362737532 465988662 /nfs/dbraw/zinc/98/86/62/465988662.db2.gz YLOLYBAPFCOFDB-UHFFFAOYSA-N 2 0 346.475 2.247 10 0 EEAERP CS(=O)(=O)CC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000340375635 466040567 /nfs/dbraw/zinc/04/05/67/466040567.db2.gz SZMRBNSGHLTRPB-UHFFFAOYSA-N 2 0 328.522 2.196 10 0 EEAERP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000597177850 468472265 /nfs/dbraw/zinc/47/22/65/468472265.db2.gz QGPJCTIMYLNIJC-UHFFFAOYSA-N 2 0 336.432 2.047 10 0 EEAERP CCOC(=O)c1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000600174818 468484288 /nfs/dbraw/zinc/48/42/88/468484288.db2.gz OJLYHTXBQJIRJZ-UHFFFAOYSA-N 2 0 331.460 2.470 10 0 EEAERP CN(c1ccccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1)C1CC[NH+](C)CC1 ZINC000372358683 466326201 /nfs/dbraw/zinc/32/62/01/466326201.db2.gz SPVPNTXXXXIJMQ-LJQANCHMSA-N 2 0 329.488 2.174 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000372731805 466562292 /nfs/dbraw/zinc/56/22/92/466562292.db2.gz JXYQHPBQZSELDY-LJQANCHMSA-N 2 0 327.472 2.348 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428089 466633566 /nfs/dbraw/zinc/63/35/66/466633566.db2.gz CAGYMJHTCUYDON-LORHWOILSA-N 2 0 345.487 2.287 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000368428985 466633845 /nfs/dbraw/zinc/63/38/45/466633845.db2.gz KFXUJLVUYSTMKI-GFIVTLFCSA-N 2 0 345.487 2.287 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417042949 466763608 /nfs/dbraw/zinc/76/36/08/466763608.db2.gz WWGNFFYLWVMOAO-ZHALLVOQSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417220301 466806434 /nfs/dbraw/zinc/80/64/34/466806434.db2.gz LGRXBHSPPNOXNR-AYBZRNKSSA-N 2 0 342.487 2.358 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000411480034 466833655 /nfs/dbraw/zinc/83/36/55/466833655.db2.gz WWFNGZOEYKRHCL-GOSISDBHSA-N 2 0 349.523 2.086 10 0 EEAERP C[NH2+][C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417592976 466891017 /nfs/dbraw/zinc/89/10/17/466891017.db2.gz YTICDTHODOMNSL-MVCQKVDPSA-N 2 0 342.487 2.185 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000417741462 466921987 /nfs/dbraw/zinc/92/19/87/466921987.db2.gz UMODHYZULFZPPE-HUUCEWRRSA-N 2 0 344.459 2.447 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418001130 467017978 /nfs/dbraw/zinc/01/79/78/467017978.db2.gz WIVXHJZKFDLRGX-MPGHIAIKSA-N 2 0 334.508 2.175 10 0 EEAERP CC(C)[C@H]([NH3+])CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418038783 467030852 /nfs/dbraw/zinc/03/08/52/467030852.db2.gz FWLGEUIVPDANEY-MJGOQNOKSA-N 2 0 332.492 2.324 10 0 EEAERP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418040687 467031662 /nfs/dbraw/zinc/03/16/62/467031662.db2.gz JIZBQCUBXJVOJG-AZUAARDMSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCC1 ZINC000418064703 467037318 /nfs/dbraw/zinc/03/73/18/467037318.db2.gz UURDQYILZOVOSO-SJORKVTESA-N 2 0 348.466 2.136 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000418183581 467068428 /nfs/dbraw/zinc/06/84/28/467068428.db2.gz OLLZXDTXJZYOSD-FZCLSBEQSA-N 2 0 332.492 2.283 10 0 EEAERP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418324750 467092507 /nfs/dbraw/zinc/09/25/07/467092507.db2.gz WHTWHOYDRHCRRY-MSOLQXFVSA-N 2 0 336.524 2.284 10 0 EEAERP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000418589723 467132178 /nfs/dbraw/zinc/13/21/78/467132178.db2.gz JDOLNXHLKHAAEU-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418595875 467133950 /nfs/dbraw/zinc/13/39/50/467133950.db2.gz OMIJRNYEUYZTMR-CRAIPNDOSA-N 2 0 332.492 2.278 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000418604146 467134563 /nfs/dbraw/zinc/13/45/63/467134563.db2.gz XFELAZSIVRJDHM-AEFFLSMTSA-N 2 0 344.503 2.290 10 0 EEAERP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418703264 467148176 /nfs/dbraw/zinc/14/81/76/467148176.db2.gz HOXYFTAKQPNMBT-SOLBZPMBSA-N 2 0 332.492 2.418 10 0 EEAERP C[C@@H]1C[N@H+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CCCO1 ZINC000427430524 467157844 /nfs/dbraw/zinc/15/78/44/467157844.db2.gz CKEDRRPLVXXSOA-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377897620 467161769 /nfs/dbraw/zinc/16/17/69/467161769.db2.gz BGDNKPUAOXUZMF-YJBOKZPZSA-N 2 0 327.488 2.389 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420302938 467344840 /nfs/dbraw/zinc/34/48/40/467344840.db2.gz MTUBJCWQNWRXDN-UONOGXRCSA-N 2 0 335.414 2.109 10 0 EEAERP C[N@H+](C[C@@H](O)CNC[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000379652939 467370248 /nfs/dbraw/zinc/37/02/48/467370248.db2.gz YMQKIPIUBTZQSZ-PMACEKPBSA-N 2 0 331.504 2.086 10 0 EEAERP CC(C)C[C@H]([NH3+])CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000414707215 467430999 /nfs/dbraw/zinc/43/09/99/467430999.db2.gz YPXJIOYZRGKZRE-FQEVSTJZSA-N 2 0 332.536 2.109 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414746311 467433451 /nfs/dbraw/zinc/43/34/51/467433451.db2.gz YYTHRDKFOUWIEU-CVEARBPZSA-N 2 0 345.491 2.220 10 0 EEAERP COc1cc(CN2CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088986 467487490 /nfs/dbraw/zinc/48/74/90/467487490.db2.gz WASTZGNBQDIHTN-DLBZAZTESA-N 2 0 335.492 2.241 10 0 EEAERP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397546 467637765 /nfs/dbraw/zinc/63/77/65/467637765.db2.gz VNVLPKSMDUAIQA-HMXCVIKNSA-N 2 0 345.531 2.476 10 0 EEAERP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449587818 467666708 /nfs/dbraw/zinc/66/67/08/467666708.db2.gz PBMOUWRFNXZDLY-SJORKVTESA-N 2 0 328.416 2.397 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529307983 467843712 /nfs/dbraw/zinc/84/37/12/467843712.db2.gz MZTSSHAHQSKKJD-MSOLQXFVSA-N 2 0 342.487 2.235 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000516026244 468010135 /nfs/dbraw/zinc/01/01/35/468010135.db2.gz YZZPFCSOEWKBKI-YQQAZPJKSA-N 2 0 348.466 2.075 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000530966294 468020532 /nfs/dbraw/zinc/02/05/32/468020532.db2.gz UXJNVNDSBXOMKT-GOSISDBHSA-N 2 0 342.487 2.302 10 0 EEAERP [NH3+]C1CCC(OCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000567775206 468207277 /nfs/dbraw/zinc/20/72/77/468207277.db2.gz DHKOHMKOZXAROE-ACBHZAAOSA-N 2 0 345.487 2.226 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000567905378 468235633 /nfs/dbraw/zinc/23/56/33/468235633.db2.gz VEQDSKQSFHVODP-INIZCTEOSA-N 2 0 335.415 2.052 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)n(C)n1 ZINC000570009765 468576563 /nfs/dbraw/zinc/57/65/63/468576563.db2.gz YXTDELJNKIZWDL-SFHVURJKSA-N 2 0 331.508 2.161 10 0 EEAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000557919756 468659157 /nfs/dbraw/zinc/65/91/57/468659157.db2.gz HQRKWXGBCGJTTP-QGZVFWFLSA-N 2 0 330.476 2.159 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595716344 468966806 /nfs/dbraw/zinc/96/68/06/468966806.db2.gz ABMMSZZAAXUOES-JTDSTZFVSA-N 2 0 338.492 2.151 10 0 EEAERP C[NH+]1CCC2(CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C2)CC1 ZINC000614965144 469108301 /nfs/dbraw/zinc/10/83/01/469108301.db2.gz NJILAFAKZHQMEG-UHFFFAOYSA-N 2 0 341.499 2.379 10 0 EEAERP CCOC(=O)CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593729656 469113550 /nfs/dbraw/zinc/11/35/50/469113550.db2.gz HNLUGYPUJRGVKH-BRWVUGGUSA-N 2 0 326.481 2.471 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994238 469561720 /nfs/dbraw/zinc/56/17/20/469561720.db2.gz WXFLWPUYULMVQB-INIZCTEOSA-N 2 0 347.503 2.477 10 0 EEAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522040 469571841 /nfs/dbraw/zinc/57/18/41/469571841.db2.gz VZJQUXQADPPUDR-LBPRGKRZSA-N 2 0 327.266 2.478 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)(N2CCCCC2)CC1 ZINC000623432153 469655414 /nfs/dbraw/zinc/65/54/14/469655414.db2.gz GKOFKXWXWXHSCX-GOSISDBHSA-N 3 0 336.568 2.399 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1(C)C ZINC000623475181 469668372 /nfs/dbraw/zinc/66/83/72/469668372.db2.gz DBJFNCFQZLRGAK-QZTJIDSGSA-N 2 0 329.488 2.498 10 0 EEAERP CC[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000626934656 469760986 /nfs/dbraw/zinc/76/09/86/469760986.db2.gz KSHDOUKBDPIYDX-ZYSHUDEJSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000627040529 469798890 /nfs/dbraw/zinc/79/88/90/469798890.db2.gz NEFRSTQFEUWFCL-QXAKKESOSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627199657 469841365 /nfs/dbraw/zinc/84/13/65/469841365.db2.gz ALTCYDRBDGOMAL-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000627199022 469841580 /nfs/dbraw/zinc/84/15/80/469841580.db2.gz QCENYJKMMYXBLU-ZHALLVOQSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NCCN2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656995 469855108 /nfs/dbraw/zinc/85/51/08/469855108.db2.gz SCFNYZOQFAAKKL-QAPCUYQASA-N 2 0 330.476 2.126 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000618191815 469916823 /nfs/dbraw/zinc/91/68/23/469916823.db2.gz TVYHXWIDKSPVJL-UHFFFAOYSA-N 2 0 329.488 2.309 10 0 EEAERP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000620913689 469949090 /nfs/dbraw/zinc/94/90/90/469949090.db2.gz ZXIFGXGJDMIRIP-QGZVFWFLSA-N 2 0 342.443 2.050 10 0 EEAERP CN(CCC[NH+](C)C)CCNc1nccn2nc(C3CCC3)cc12 ZINC000631366084 470131397 /nfs/dbraw/zinc/13/13/97/470131397.db2.gz OOLIQROBNXGVKE-UHFFFAOYSA-N 2 0 330.480 2.292 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@@H]43)ccc21 ZINC000632860922 470279256 /nfs/dbraw/zinc/27/92/56/470279256.db2.gz JKHCNZATPSITJM-HKUYNNGSSA-N 2 0 340.471 2.204 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634760354 470299728 /nfs/dbraw/zinc/29/97/28/470299728.db2.gz BYOFXETVTUWEQB-HNNXBMFYSA-N 2 0 333.476 2.135 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCc2ccccc21 ZINC000649833010 470713604 /nfs/dbraw/zinc/71/36/04/470713604.db2.gz BMCMWONFCVBQOT-INIZCTEOSA-N 2 0 341.499 2.391 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1C ZINC000647313077 470880945 /nfs/dbraw/zinc/88/09/45/470880945.db2.gz KEPBJUYRIBMHPE-YJBOKZPZSA-N 2 0 349.494 2.359 10 0 EEAERP C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647326154 470883006 /nfs/dbraw/zinc/88/30/06/470883006.db2.gz YQRYQGXGIMOYIX-HNNXBMFYSA-N 2 0 331.464 2.039 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899689 471010245 /nfs/dbraw/zinc/01/02/45/471010245.db2.gz SQKNQUFRFFAIAS-IIAWOOMASA-N 2 0 345.443 2.206 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000654509527 471047739 /nfs/dbraw/zinc/04/77/39/471047739.db2.gz BNUVWDZHZJQJER-XOYOTBSWSA-N 2 0 330.476 2.071 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000651193515 471084755 /nfs/dbraw/zinc/08/47/55/471084755.db2.gz ZAPLKNGXNVDYQP-IRXDYDNUSA-N 2 0 326.529 2.479 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000651193513 471085146 /nfs/dbraw/zinc/08/51/46/471085146.db2.gz ZAPLKNGXNVDYQP-DLBZAZTESA-N 2 0 326.529 2.479 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657307047 471092674 /nfs/dbraw/zinc/09/26/74/471092674.db2.gz HPJIAVLBDPHUMY-VQTJNVASSA-N 2 0 331.504 2.351 10 0 EEAERP c1cc(CNCC2([NH+]3CCCC3)CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000657350560 471108468 /nfs/dbraw/zinc/10/84/68/471108468.db2.gz TVDCRWXZFPINSU-UHFFFAOYSA-N 2 0 341.459 2.002 10 0 EEAERP Cc1ccc2cc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)[nH]c2c1 ZINC000657350286 471109471 /nfs/dbraw/zinc/10/94/71/471109471.db2.gz RTVORHVKTGORBM-INIZCTEOSA-N 2 0 328.460 2.153 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CO1 ZINC000657363693 471114497 /nfs/dbraw/zinc/11/44/97/471114497.db2.gz AVFNCJHRONDNFK-RBUKOAKNSA-N 2 0 345.487 2.169 10 0 EEAERP c1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657402653 471126369 /nfs/dbraw/zinc/12/63/69/471126369.db2.gz WHRZBJHUWJRYGC-YOEHRIQHSA-N 2 0 330.457 2.412 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000657573757 471172613 /nfs/dbraw/zinc/17/26/13/471172613.db2.gz SKLJQLYCIYEVPV-INDMIFKZSA-N 2 0 325.541 2.443 10 0 EEAERP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657824516 471238609 /nfs/dbraw/zinc/23/86/09/471238609.db2.gz JOHUTJRXFNKIOR-LJQANCHMSA-N 2 0 329.488 2.105 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000652167267 471248879 /nfs/dbraw/zinc/24/88/79/471248879.db2.gz PDDFFPFPSQWZIZ-INIZCTEOSA-N 2 0 332.492 2.183 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000652191533 471253252 /nfs/dbraw/zinc/25/32/52/471253252.db2.gz XLNWYODCYFEXKU-RDJZCZTQSA-N 2 0 332.492 2.414 10 0 EEAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657969617 471254060 /nfs/dbraw/zinc/25/40/60/471254060.db2.gz SFOMALQVIWDUDG-RBUKOAKNSA-N 2 0 330.472 2.445 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)cc1 ZINC000666456229 471408825 /nfs/dbraw/zinc/40/88/25/471408825.db2.gz NKOHUQHRHRBGMD-UHFFFAOYSA-N 2 0 340.467 2.373 10 0 EEAERP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658650 471433220 /nfs/dbraw/zinc/43/32/20/471433220.db2.gz FRZUDAQLFBKRQZ-ZBFHGGJFSA-N 2 0 347.425 2.205 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(F)F ZINC000666600773 471461150 /nfs/dbraw/zinc/46/11/50/471461150.db2.gz KZLSFQHQIFQLMO-GDBMZVCRSA-N 2 0 346.466 2.089 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000666664734 471488132 /nfs/dbraw/zinc/48/81/32/471488132.db2.gz LMPXZDBGHBSRAZ-FUHWJXTLSA-N 2 0 332.492 2.049 10 0 EEAERP CC1CC[NH+](Cc2cccc(CNC(=O)NC/C=C\C[NH3+])c2)CC1 ZINC000669455525 471504607 /nfs/dbraw/zinc/50/46/07/471504607.db2.gz QLZIQXCZXBEFKF-IHWYPQMZSA-N 2 0 330.476 2.233 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000663775295 471511936 /nfs/dbraw/zinc/51/19/36/471511936.db2.gz WKYSQTKHQQLJGQ-MOPGFXCFSA-N 2 0 344.503 2.039 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000655909830 471531638 /nfs/dbraw/zinc/53/16/38/471531638.db2.gz HKRXPHVXGWFWDM-UONOGXRCSA-N 2 0 346.397 2.041 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655911093 471533549 /nfs/dbraw/zinc/53/35/49/471533549.db2.gz ANHNBIHTBYXJGE-AWEZNQCLSA-N 2 0 346.397 2.217 10 0 EEAERP C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC[NH2+]C1 ZINC000659382983 471600051 /nfs/dbraw/zinc/60/00/51/471600051.db2.gz SFLFLJVNNPDXTP-UYAOXDASSA-N 2 0 341.499 2.405 10 0 EEAERP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468608 471725563 /nfs/dbraw/zinc/72/55/63/471725563.db2.gz OYQKOPBBEVTAMW-RTBURBONSA-N 2 0 339.487 2.342 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661399396 471742300 /nfs/dbraw/zinc/74/23/00/471742300.db2.gz SRZWPCVCGICYBD-ROUUACIJSA-N 2 0 344.503 2.433 10 0 EEAERP O[C@@]1(C2CC2)CCC[NH+](CCCC[N@H+]2CCC[C@@](O)(C3CC3)C2)C1 ZINC000661625237 471831038 /nfs/dbraw/zinc/83/10/38/471831038.db2.gz HUWUKVFLBVKYNU-PMACEKPBSA-N 2 0 336.520 2.240 10 0 EEAERP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000661881318 471911875 /nfs/dbraw/zinc/91/18/75/471911875.db2.gz USJIJXDYAWNSPO-QFBILLFUSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000654352145 471923792 /nfs/dbraw/zinc/92/37/92/471923792.db2.gz YQAHTFIWNJNVTK-XKQJLSEDSA-N 2 0 336.455 2.068 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 ZINC000662312642 472066032 /nfs/dbraw/zinc/06/60/32/472066032.db2.gz YGRYQZOTGVWCST-GGPKGHCWSA-N 2 0 342.487 2.472 10 0 EEAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668479 472195804 /nfs/dbraw/zinc/19/58/04/472195804.db2.gz NEVKVFDYGDDNBO-UJAMICLKSA-N 2 0 349.519 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)c1cc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000662670725 472196939 /nfs/dbraw/zinc/19/69/39/472196939.db2.gz IJANOZFMYOOTDG-UHFFFAOYSA-N 2 0 330.432 2.120 10 0 EEAERP c1cc2c(cc1[C@H]1CCC[N@H+]1C[C@H]1CCC3(C[NH2+]C3)O1)OCCO2 ZINC000662248825 485595479 /nfs/dbraw/zinc/59/54/79/485595479.db2.gz JZTZYWSSALFZBK-HZPDHXFCSA-N 2 0 330.428 2.116 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ccc2c[nH+]cn2c1 ZINC000416249944 534416659 /nfs/dbraw/zinc/41/66/59/534416659.db2.gz BTGFGYCQOYEBHP-UHFFFAOYSA-N 2 0 334.423 2.399 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000422742650 535990741 /nfs/dbraw/zinc/99/07/41/535990741.db2.gz GSBOYGNENDGQHB-QXAKKESOSA-N 3 0 335.467 2.134 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000745180152 577910231 /nfs/dbraw/zinc/91/02/31/577910231.db2.gz IXMUIDHRNOHPNY-IKGGRYGDSA-N 2 0 338.565 2.292 10 0 EEAERP Brc1cnn(CC[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000926415233 678510225 /nfs/dbraw/zinc/51/02/25/678510225.db2.gz QGBJESZDKZKDGK-ZIAGYGMSSA-N 2 0 327.270 2.252 10 0 EEAERP CCN1CC[C@H](NC(=O)C[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261893136 682067557 /nfs/dbraw/zinc/06/75/57/682067557.db2.gz WXKZVLLLDONXSL-OOVXXXAESA-N 2 0 327.831 2.468 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000924970576 682147511 /nfs/dbraw/zinc/14/75/11/682147511.db2.gz SKKFHMTYRKVIEI-IBGZPJMESA-N 2 0 348.487 2.097 10 0 EEAERP CCn1nc(C)c([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000924970322 682148205 /nfs/dbraw/zinc/14/82/05/682148205.db2.gz RCDZHBLAKWCVIB-OAHLLOKOSA-N 2 0 345.491 2.440 10 0 EEAERP CC[NH+](CC)Cc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1 ZINC000897520466 690830643 /nfs/dbraw/zinc/83/06/43/690830643.db2.gz IAAKTWUBLLBDKY-SFHVURJKSA-N 2 0 331.460 2.188 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485506168 1191818859 /nfs/dbraw/zinc/81/88/59/1191818859.db2.gz LBSBXZZDWKLOQW-DGCLKSJQSA-N 2 0 341.393 2.055 10 0 EEAERP C[C@@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001485616805 1191863615 /nfs/dbraw/zinc/86/36/15/1191863615.db2.gz WDUXMLAAZVWJOP-FPCVCCKLSA-N 2 0 327.488 2.006 10 0 EEAERP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]3C2)no1 ZINC001485655030 1191873686 /nfs/dbraw/zinc/87/36/86/1191873686.db2.gz DYCVTFFORCKEBE-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001485740832 1191917255 /nfs/dbraw/zinc/91/72/55/1191917255.db2.gz UUUCTFDYHAFQRC-KRWDZBQOSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001485812196 1191973348 /nfs/dbraw/zinc/97/33/48/1191973348.db2.gz VIILMBOOVNRFCG-QZTJIDSGSA-N 2 0 348.491 2.182 10 0 EEAERP CC[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691019618 1176499749 /nfs/dbraw/zinc/49/97/49/1176499749.db2.gz BXBAOZSJQWSVJJ-OAHLLOKOSA-N 2 0 349.441 2.499 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCCCCF)C1 ZINC001266855722 1177580060 /nfs/dbraw/zinc/58/00/60/1177580060.db2.gz GCTWYJNDHLRBHI-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266904476 1177769728 /nfs/dbraw/zinc/76/97/28/1177769728.db2.gz JPQIIMBXCJUMNL-SFFUCWETSA-N 2 0 337.483 2.190 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC001266994371 1178053047 /nfs/dbraw/zinc/05/30/47/1178053047.db2.gz MHBMYAMJNHVZAP-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267048715 1178149110 /nfs/dbraw/zinc/14/91/10/1178149110.db2.gz ZHOUSOYRZBETCT-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cn1 ZINC001267067113 1178181737 /nfs/dbraw/zinc/18/17/37/1178181737.db2.gz NILSQTKZBBHOOR-SJORKVTESA-N 2 0 347.507 2.016 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267087600 1178213219 /nfs/dbraw/zinc/21/32/19/1178213219.db2.gz UGYMTGAPLOYCSX-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccc(F)cn2)C1 ZINC001267181762 1178443237 /nfs/dbraw/zinc/44/32/37/1178443237.db2.gz NGFOOSMPYFAUTG-CRAIPNDOSA-N 2 0 348.466 2.033 10 0 EEAERP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001750944441 1178611070 /nfs/dbraw/zinc/61/10/70/1178611070.db2.gz LKQHJZIRBMRXMI-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nc(CN(CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)C)co1 ZINC001267318913 1178749704 /nfs/dbraw/zinc/74/97/04/1178749704.db2.gz HFQIZVGKVGOUKQ-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP CN(CCNCc1coc(C2CC2)n1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691476843 1178911276 /nfs/dbraw/zinc/91/12/76/1178911276.db2.gz SNKOMDZMHFRZRS-UHFFFAOYSA-N 2 0 336.480 2.078 10 0 EEAERP Cc1nc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)sc1C(C)(C)C ZINC001267424113 1178992769 /nfs/dbraw/zinc/99/27/69/1178992769.db2.gz DNCSWOXFSAXHJH-UHFFFAOYSA-N 2 0 340.537 2.249 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@H]1CCc2ccccc21 ZINC001480946988 1179088786 /nfs/dbraw/zinc/08/87/86/1179088786.db2.gz DUWVYLJGUGJFTA-GOSISDBHSA-N 2 0 329.488 2.250 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001279687043 1179242573 /nfs/dbraw/zinc/24/25/73/1179242573.db2.gz DCOSCBTULBAFDR-IRXDYDNUSA-N 2 0 337.508 2.034 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001481120667 1179803724 /nfs/dbraw/zinc/80/37/24/1179803724.db2.gz IOJUZEHRODJKBS-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC001267617860 1179945353 /nfs/dbraw/zinc/94/53/53/1179945353.db2.gz TZRBZMUWIPSVCN-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)CC[N@H+](C)C2CCCCC2)on1 ZINC001481262139 1180503177 /nfs/dbraw/zinc/50/31/77/1180503177.db2.gz SWHWEMXZRDOMAJ-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001481281642 1180804706 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GXTNSGJSUOIPSJ-PXYFQHJDSA-N 2 0 331.504 2.360 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268385227 1182419102 /nfs/dbraw/zinc/41/91/02/1182419102.db2.gz KBOCYBUVVLSMAI-ZIAGYGMSSA-N 2 0 333.411 2.113 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481739793 1182460323 /nfs/dbraw/zinc/46/03/23/1182460323.db2.gz FJFHYLNKCBYFPJ-LJQANCHMSA-N 2 0 331.504 2.276 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001268413871 1182566728 /nfs/dbraw/zinc/56/67/28/1182566728.db2.gz IUWPUJNRSDCKAS-HNAYVOBHSA-N 2 0 331.504 2.500 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001268426055 1182593294 /nfs/dbraw/zinc/59/32/94/1182593294.db2.gz JDANDIMRVJOVOS-WMZOPIPTSA-N 2 0 332.492 2.186 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001481848627 1182783775 /nfs/dbraw/zinc/78/37/75/1182783775.db2.gz PACBMMMJRNGBLP-VQIMIIECSA-N 2 0 331.504 2.228 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268491558 1182987887 /nfs/dbraw/zinc/98/78/87/1182987887.db2.gz PYZNUNXXAXGCDZ-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001481986975 1183082810 /nfs/dbraw/zinc/08/28/10/1183082810.db2.gz ACCJXJFBKUTBKF-CQSZACIVSA-N 2 0 347.425 2.253 10 0 EEAERP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)Cc2[nH]cnc2C)cc1 ZINC001482035203 1183188896 /nfs/dbraw/zinc/18/88/96/1183188896.db2.gz SCRIDTACJMAHQU-INIZCTEOSA-N 2 0 332.423 2.415 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]C[C@H]2CCCCO2)ccc2c[nH+]cn21 ZINC001268560836 1183258724 /nfs/dbraw/zinc/25/87/24/1183258724.db2.gz ZXAQHSZNCXFUTM-CWIOURORSA-N 2 0 342.443 2.087 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCc1ccccc1F ZINC001482103068 1183335750 /nfs/dbraw/zinc/33/57/50/1183335750.db2.gz XNKKFYWBEXUPHN-QAPCUYQASA-N 2 0 347.478 2.052 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1c(F)cccc1F ZINC001482136538 1183448930 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10 0 EEAERP COCC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001269670267 1184491451 /nfs/dbraw/zinc/49/14/51/1184491451.db2.gz JUQNXABRCVNPEY-APWZRJJASA-N 2 0 339.524 2.019 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001269712332 1184544445 /nfs/dbraw/zinc/54/44/45/1184544445.db2.gz PBBQJDFGDRSBRJ-QAPCUYQASA-N 2 0 348.491 2.050 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001269901046 1184704756 /nfs/dbraw/zinc/70/47/56/1184704756.db2.gz ABWCVSYVNCCEIY-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC001284737856 1184748928 /nfs/dbraw/zinc/74/89/28/1184748928.db2.gz NUIKRXKHDZYGDQ-STQMWFEESA-N 2 0 341.393 2.057 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCc2cccs2)CCC1 ZINC001270221201 1184934161 /nfs/dbraw/zinc/93/41/61/1184934161.db2.gz ALJISXSFEHCJLU-OAHLLOKOSA-N 2 0 335.517 2.356 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC[C@@H](C)F)CC1 ZINC001270287548 1184988511 /nfs/dbraw/zinc/98/85/11/1184988511.db2.gz JMQIPFJHXMDMQH-NVXWUHKLSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482354396 1185491402 /nfs/dbraw/zinc/49/14/02/1185491402.db2.gz QNZCYHMXYREOGJ-CABCVRRESA-N 2 0 333.451 2.419 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001482413205 1185649105 /nfs/dbraw/zinc/64/91/05/1185649105.db2.gz MNJDKABGHCXSIT-IRXDYDNUSA-N 2 0 327.488 2.485 10 0 EEAERP COCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001271102000 1185886628 /nfs/dbraw/zinc/88/66/28/1185886628.db2.gz ONXNSIUXMCEFPQ-CRAIPNDOSA-N 2 0 345.503 2.062 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccc2)C1 ZINC001482461450 1185926745 /nfs/dbraw/zinc/92/67/45/1185926745.db2.gz OVAXBMGAHSPQPH-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccc2)C1 ZINC001482461452 1185927210 /nfs/dbraw/zinc/92/72/10/1185927210.db2.gz OVAXBMGAHSPQPH-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001271156693 1185992142 /nfs/dbraw/zinc/99/21/42/1185992142.db2.gz ZHEXOQPUQVYAKN-SFHVURJKSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1[NH2+]CCCF ZINC001271413136 1186198794 /nfs/dbraw/zinc/19/87/94/1186198794.db2.gz AONVNNQCSBABJN-GOEBONIOSA-N 2 0 345.422 2.067 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccn2)CC1 ZINC001271576217 1186318733 /nfs/dbraw/zinc/31/87/33/1186318733.db2.gz MNEBDODTBIZHNE-LJQANCHMSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482494999 1186396012 /nfs/dbraw/zinc/39/60/12/1186396012.db2.gz PIKDESGHTQAPRF-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001670843296 1187435024 /nfs/dbraw/zinc/43/50/24/1187435024.db2.gz WBVPFBLZNPSZAN-MRXNPFEDSA-N 2 0 325.472 2.382 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001670843295 1187435080 /nfs/dbraw/zinc/43/50/80/1187435080.db2.gz WBVPFBLZNPSZAN-INIZCTEOSA-N 2 0 325.472 2.382 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1F)C(=O)CC1CC[NH+](C)CC1 ZINC001482954949 1187881786 /nfs/dbraw/zinc/88/17/86/1187881786.db2.gz DOYNFJDKKRGEMQ-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)C[N@H+](C)C(C)C ZINC001482969428 1187909756 /nfs/dbraw/zinc/90/97/56/1187909756.db2.gz GSXLFZWWWXWMOY-UHFFFAOYSA-N 2 0 326.872 2.013 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCOC(C)C)C2)CC[N@@H+]1C ZINC001691589520 1188291984 /nfs/dbraw/zinc/29/19/84/1188291984.db2.gz SRTRGLFSAVRGNI-XWTMOSNGSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001483054180 1188312586 /nfs/dbraw/zinc/31/25/86/1188312586.db2.gz KJUSKDFGSZOGOL-ONEGZZNKSA-N 2 0 333.451 2.238 10 0 EEAERP CN(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cn1)c1ccccc1 ZINC001691623351 1188323044 /nfs/dbraw/zinc/32/30/44/1188323044.db2.gz UAUKNEJPWFQRRM-GOSISDBHSA-N 2 0 344.434 2.072 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccccn1)[NH+]1CCCCC1 ZINC001483096229 1188470347 /nfs/dbraw/zinc/47/03/47/1188470347.db2.gz ALXDBCDENAGZOS-LIXSYLKWSA-N 2 0 344.503 2.354 10 0 EEAERP CC(C)OCC[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001272826293 1193565180 /nfs/dbraw/zinc/56/51/80/1193565180.db2.gz REUAOSRTADTALN-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1nccn1CCCC(=O)N[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001483176250 1189029681 /nfs/dbraw/zinc/02/96/81/1189029681.db2.gz SRVUJQIGOYEPIP-CYBMUJFWSA-N 2 0 349.866 2.315 10 0 EEAERP C[C@@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483227651 1189512352 /nfs/dbraw/zinc/51/23/52/1189512352.db2.gz NXVLUQXOOFXTDA-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001409355301 1189565793 /nfs/dbraw/zinc/56/57/93/1189565793.db2.gz HXQQSWKXUNTYJM-CVEARBPZSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCc1ccccc1F ZINC001485893626 1193632352 /nfs/dbraw/zinc/63/23/52/1193632352.db2.gz WGRMZIJQPIJAOX-MAUKXSAKSA-N 2 0 335.467 2.289 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)N(C)Cc2nocc2C)C1 ZINC001409620528 1190111184 /nfs/dbraw/zinc/11/11/84/1190111184.db2.gz XBGXTXUPZROVDR-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)cc1F ZINC001409685193 1190186223 /nfs/dbraw/zinc/18/62/23/1190186223.db2.gz LGJUIEXWDQFXQY-CQSZACIVSA-N 2 0 339.455 2.111 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001483262924 1190288413 /nfs/dbraw/zinc/28/84/13/1190288413.db2.gz LJTWEMNGQSNILL-SUMWQHHRSA-N 2 0 341.446 2.188 10 0 EEAERP C[C@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410888 1190457535 /nfs/dbraw/zinc/45/75/35/1190457535.db2.gz QQCZLFFMCCPIGQ-RDTXWAMCSA-N 2 0 345.462 2.345 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001486087992 1193678077 /nfs/dbraw/zinc/67/80/77/1193678077.db2.gz QBPFSEYGXJFSLD-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCc2ccsc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486129661 1193689636 /nfs/dbraw/zinc/68/96/36/1193689636.db2.gz NUBOCRNRHULAGG-RDJZCZTQSA-N 2 0 347.528 2.356 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCCOC ZINC001483626749 1190691143 /nfs/dbraw/zinc/69/11/43/1190691143.db2.gz SEAXUMPXLIGXRY-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCOc1ccccc1 ZINC001483637493 1190699965 /nfs/dbraw/zinc/69/99/65/1190699965.db2.gz XSBUEMPFFKZUSI-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]CCC(F)(F)F)C2)CC1 ZINC001272583468 1190899099 /nfs/dbraw/zinc/89/90/99/1190899099.db2.gz ZPMOBRFDRBMUGB-OAHLLOKOSA-N 2 0 349.441 2.499 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1)[NH+](C)C ZINC001272615481 1190930479 /nfs/dbraw/zinc/93/04/79/1190930479.db2.gz CFKYAHAUKZHJTH-CRAIPNDOSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001272615657 1190930619 /nfs/dbraw/zinc/93/06/19/1190930619.db2.gz FZHJVVIQDSVUQG-SFHVURJKSA-N 2 0 341.499 2.419 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001483824111 1191074768 /nfs/dbraw/zinc/07/47/68/1191074768.db2.gz BAQTWVWHUROCPG-NCOADZHNSA-N 2 0 345.478 2.480 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001483925138 1191118398 /nfs/dbraw/zinc/11/83/98/1191118398.db2.gz OIXXXWFYHDWSQB-PKOBYXMFSA-N 2 0 345.487 2.049 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001483974251 1191137743 /nfs/dbraw/zinc/13/77/43/1191137743.db2.gz WVIITCDZHCNQCC-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1noc(C)c1C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001483975722 1191138254 /nfs/dbraw/zinc/13/82/54/1191138254.db2.gz OONYUWINKCSFML-UHFFFAOYSA-N 2 0 348.491 2.112 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001484348182 1191313385 /nfs/dbraw/zinc/31/33/85/1191313385.db2.gz SSOJVPNNXVMLLX-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP O=C(NCC1([NH2+]CCc2ccccc2)CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484634773 1191446559 /nfs/dbraw/zinc/44/65/59/1191446559.db2.gz VPKOQYXIOFAWNX-LJQANCHMSA-N 2 0 341.499 2.199 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]C[C@@H](C)OC)CC2)C1 ZINC001484921706 1191575953 /nfs/dbraw/zinc/57/59/53/1191575953.db2.gz CVEPTTNGSNAEOP-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001485087485 1191648568 /nfs/dbraw/zinc/64/85/68/1191648568.db2.gz LVRFNIWNMRSPTN-VMWRSERWSA-N 2 0 349.906 2.461 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]Cc3ncc(C4CC4)o3)C2)CCC1 ZINC001485095149 1191653832 /nfs/dbraw/zinc/65/38/32/1191653832.db2.gz YAKIZJUGZZWWEM-UHFFFAOYSA-N 2 0 346.475 2.021 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485205555 1191692501 /nfs/dbraw/zinc/69/25/01/1191692501.db2.gz CWNSBXDEPNJXDJ-IAGOWNOFSA-N 2 0 346.519 2.493 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001485318891 1191733053 /nfs/dbraw/zinc/73/30/53/1191733053.db2.gz KBBLNKSOGMCYQN-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001485343311 1191746963 /nfs/dbraw/zinc/74/69/63/1191746963.db2.gz BHMRPVDFGUTVQT-QAPCUYQASA-N 2 0 329.488 2.452 10 0 EEAERP CCOCCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349404 1191750195 /nfs/dbraw/zinc/75/01/95/1191750195.db2.gz FRYSGDIQRJQQDK-QAPCUYQASA-N 2 0 345.503 2.062 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccnc(Cl)c1 ZINC001485350801 1191750947 /nfs/dbraw/zinc/75/09/47/1191750947.db2.gz QCIXJSBAMBKYQB-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccnc1 ZINC001485356240 1191761011 /nfs/dbraw/zinc/76/10/11/1191761011.db2.gz BAPUZNABBGTTDI-FUHWJXTLSA-N 2 0 332.492 2.281 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C ZINC001485386831 1191774598 /nfs/dbraw/zinc/77/45/98/1191774598.db2.gz ZPPAHRLJGHSNEC-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485479839 1191806771 /nfs/dbraw/zinc/80/67/71/1191806771.db2.gz HXBPIVZKXPUFRJ-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cncc(CN2CC([C@@H](C)NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001485511927 1191815904 /nfs/dbraw/zinc/81/59/04/1191815904.db2.gz RKLGTQGZZYEWAW-APWZRJJASA-N 2 0 344.503 2.201 10 0 EEAERP COC[C@H](C)[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001486244505 1193771023 /nfs/dbraw/zinc/77/10/23/1193771023.db2.gz OSJCRBIKFWBCKG-YJBOKZPZSA-N 2 0 347.503 2.223 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001486446471 1193961026 /nfs/dbraw/zinc/96/10/26/1193961026.db2.gz MNKIBPIYHMJPCL-CABCVRRESA-N 2 0 327.488 2.436 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)co1 ZINC001273053702 1194358334 /nfs/dbraw/zinc/35/83/34/1194358334.db2.gz ZUIBWDRINPRCNP-LSDHHAIUSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001273113031 1194395140 /nfs/dbraw/zinc/39/51/40/1194395140.db2.gz ORHXRBBLFJNNKD-INIZCTEOSA-N 2 0 344.503 2.188 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001409974308 1195970952 /nfs/dbraw/zinc/97/09/52/1195970952.db2.gz MMSSOQNLAKSSRP-HNNXBMFYSA-N 2 0 333.451 2.166 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001409974963 1195987987 /nfs/dbraw/zinc/98/79/87/1195987987.db2.gz MYIPLFTXGIGREL-GJZGRUSLSA-N 2 0 333.451 2.419 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C[NH+]1CCCC1 ZINC001273183934 1197410137 /nfs/dbraw/zinc/41/01/37/1197410137.db2.gz OHIHOYLKSDTZAF-CYBMUJFWSA-N 2 0 325.403 2.045 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273204199 1197514911 /nfs/dbraw/zinc/51/49/11/1197514911.db2.gz KGLNIRMQVYKBAZ-INIZCTEOSA-N 2 0 340.471 2.441 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001410082773 1197544182 /nfs/dbraw/zinc/54/41/82/1197544182.db2.gz CPXUCUPMIGSFHX-LJQANCHMSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001410170553 1197580332 /nfs/dbraw/zinc/58/03/32/1197580332.db2.gz NOBHSFVOTMAFFH-HZPDHXFCSA-N 2 0 345.478 2.339 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001410324584 1197708208 /nfs/dbraw/zinc/70/82/08/1197708208.db2.gz JDQDAJIZKRVNQI-ZWKOTPCHSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001410385318 1197784845 /nfs/dbraw/zinc/78/48/45/1197784845.db2.gz RNPPXNCJPPKCEC-ZHALLVOQSA-N 2 0 331.504 2.314 10 0 EEAERP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000872158510 1198063695 /nfs/dbraw/zinc/06/36/95/1198063695.db2.gz VZGTULVEEXLQFW-WMZOPIPTSA-N 2 0 342.549 2.431 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc(/C=C\[C@@H]3CCC[NH2+]C3)n2)ccn1 ZINC000872174746 1198071838 /nfs/dbraw/zinc/07/18/38/1198071838.db2.gz GCEPNHGWNGWHFE-GXMNPTEKSA-N 2 0 343.431 2.085 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000865451028 1198224357 /nfs/dbraw/zinc/22/43/57/1198224357.db2.gz XFPYTMMHAZFMBS-UHFFFAOYSA-N 2 0 328.254 2.284 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001273375532 1198395943 /nfs/dbraw/zinc/39/59/43/1198395943.db2.gz STEXELLTVGMPIG-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nc(C3CCCC3)ns2)C[C@H]1C[NH+](C)C ZINC000866010574 1198453668 /nfs/dbraw/zinc/45/36/68/1198453668.db2.gz MGKLBJQTULEGMJ-HUUCEWRRSA-N 2 0 337.537 2.371 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cc[nH+]c3c(O)cccc23)C[C@H]1C[NH+](C)C ZINC000866011809 1198454235 /nfs/dbraw/zinc/45/42/35/1198454235.db2.gz LLVKAIJPILCXKK-HUUCEWRRSA-N 3 0 328.460 2.116 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001410858117 1198509504 /nfs/dbraw/zinc/50/95/04/1198509504.db2.gz RNSCBDAPEVFXIB-SWLSCSKDSA-N 2 0 338.521 2.179 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cccc3cccnc32)CN1C(=O)CC[NH+](C)C ZINC001410872715 1198525228 /nfs/dbraw/zinc/52/52/28/1198525228.db2.gz SKDSFHGCYHPFPM-YJBOKZPZSA-N 2 0 340.471 2.266 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)CC[NH+](C)C)CCC[C@H]23)c(C)n1 ZINC001410884214 1198532367 /nfs/dbraw/zinc/53/23/67/1198532367.db2.gz AVOSBBLBVKBKEQ-ICSRJNTNSA-N 2 0 344.503 2.263 10 0 EEAERP Cc1ccncc1C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001410905385 1198563963 /nfs/dbraw/zinc/56/39/63/1198563963.db2.gz PKNXBZAVASHTQD-UYAOXDASSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001410941145 1198597461 /nfs/dbraw/zinc/59/74/61/1198597461.db2.gz KASHQQAPOZLCFE-CVEARBPZSA-N 2 0 348.491 2.008 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)CC1 ZINC001410984048 1198659912 /nfs/dbraw/zinc/65/99/12/1198659912.db2.gz LRFPNQSAKQZDJV-CQSZACIVSA-N 2 0 343.462 2.200 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C)o1 ZINC001411209842 1198915317 /nfs/dbraw/zinc/91/53/17/1198915317.db2.gz XTEPBUPRJXFUMJ-INIZCTEOSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001411250647 1198972623 /nfs/dbraw/zinc/97/26/23/1198972623.db2.gz UFQMECAASQBPCS-NFOMZHRRSA-N 2 0 331.451 2.343 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@H]21 ZINC000810580039 1199604958 /nfs/dbraw/zinc/60/49/58/1199604958.db2.gz LOEBGUXMPPXKLX-RKVPGOIHSA-N 2 0 325.472 2.142 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000870875958 1200925083 /nfs/dbraw/zinc/92/50/83/1200925083.db2.gz QTPVSQYNIXLAHS-HDMKZQKVSA-N 2 0 331.485 2.301 10 0 EEAERP CC1(C)[C@H](O)CC[NH+]1Cc1cccc(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000812868462 1200973959 /nfs/dbraw/zinc/97/39/59/1200973959.db2.gz WMWAFISXCCFNTE-QZTJIDSGSA-N 2 0 332.488 2.377 10 0 EEAERP C[C@@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000866526294 1201541888 /nfs/dbraw/zinc/54/18/88/1201541888.db2.gz IMPXDUBHBBBLHY-OAHLLOKOSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000866703821 1201584298 /nfs/dbraw/zinc/58/42/98/1201584298.db2.gz KUZMBMYAOONGEV-HXUWFJFHSA-N 2 0 343.471 2.370 10 0 EEAERP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710625 1201587162 /nfs/dbraw/zinc/58/71/62/1201587162.db2.gz QXSMADZCKXJBFS-OJDYBEQGSA-N 2 0 335.835 2.268 10 0 EEAERP C[C@H]1CCCN(C(=O)CCn2ccnc2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001691729011 1204241114 /nfs/dbraw/zinc/24/11/14/1204241114.db2.gz VKQJINAYNRNQLH-RDJZCZTQSA-N 2 0 345.447 2.068 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001274022971 1204331072 /nfs/dbraw/zinc/33/10/72/1204331072.db2.gz AHGYUOPBXMKURL-WAYWQWQTSA-N 2 0 334.464 2.010 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001274133957 1204394904 /nfs/dbraw/zinc/39/49/04/1204394904.db2.gz OWVKOXXWPVFNOH-SFFCAUCYSA-N 2 0 344.503 2.451 10 0 EEAERP CCOCCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001274398397 1205021359 /nfs/dbraw/zinc/02/13/59/1205021359.db2.gz MPHKAQSGDZXXBE-CALCHBBNSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC[C@H]1CCCC1(F)F ZINC001274578840 1205086076 /nfs/dbraw/zinc/08/60/76/1205086076.db2.gz OULQBOQQHORFFK-BGTMTDRBSA-N 2 0 329.435 2.170 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274996762 1205227770 /nfs/dbraw/zinc/22/77/70/1205227770.db2.gz FORGLTWDJRFRTK-ROUUACIJSA-N 2 0 339.524 2.255 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275553708 1205408558 /nfs/dbraw/zinc/40/85/58/1205408558.db2.gz NWXAXRJQMPIINB-CHWSQXEVSA-N 2 0 326.872 2.060 10 0 EEAERP O=C(CCn1ccnc1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001275780645 1205524025 /nfs/dbraw/zinc/52/40/25/1205524025.db2.gz KNJOLLHSPCQLAY-UONOGXRCSA-N 2 0 346.397 2.490 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001276057805 1205756159 /nfs/dbraw/zinc/75/61/59/1205756159.db2.gz FJJTVZTYQIBSPF-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276075808 1205762606 /nfs/dbraw/zinc/76/26/06/1205762606.db2.gz FGSYCAWKZDBVDN-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)CO ZINC000924642392 1206009050 /nfs/dbraw/zinc/00/90/50/1206009050.db2.gz AEQOISCJHGZREN-SFHVURJKSA-N 2 0 333.520 2.191 10 0 EEAERP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924690125 1206019008 /nfs/dbraw/zinc/01/90/08/1206019008.db2.gz NUJYTCUHFKDHSH-IEBWSBKVSA-N 2 0 334.508 2.253 10 0 EEAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000924807398 1206034526 /nfs/dbraw/zinc/03/45/26/1206034526.db2.gz LPAVXZYJNXDXLY-PKOBYXMFSA-N 2 0 334.508 2.253 10 0 EEAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000925439105 1206111740 /nfs/dbraw/zinc/11/17/40/1206111740.db2.gz QWARQLZOWNESOO-TXPKVOOTSA-N 2 0 345.487 2.025 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925579446 1206131357 /nfs/dbraw/zinc/13/13/57/1206131357.db2.gz DVXQJISGDJJHFG-ILXRZTDVSA-N 2 0 331.460 2.296 10 0 EEAERP C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc(N2CCOCC2)c1 ZINC000925780032 1206153660 /nfs/dbraw/zinc/15/36/60/1206153660.db2.gz QOJKIFXBZJFWTH-ZBFHGGJFSA-N 2 0 339.430 2.419 10 0 EEAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000925801094 1206154994 /nfs/dbraw/zinc/15/49/94/1206154994.db2.gz TYCXZLUAEHXWRE-YRGRVCCFSA-N 2 0 328.453 2.125 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3cccnc32)CC[NH2+]CC1 ZINC000925872120 1206163212 /nfs/dbraw/zinc/16/32/12/1206163212.db2.gz PQWYQYFYGUSVJN-ZBFHGGJFSA-N 2 0 331.460 2.370 10 0 EEAERP CCN(C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC[N@H+](CC)C1 ZINC000925919576 1206168338 /nfs/dbraw/zinc/16/83/38/1206168338.db2.gz HEKRHZBCWJUMOE-QZTJIDSGSA-N 2 0 347.507 2.200 10 0 EEAERP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000926124639 1206195475 /nfs/dbraw/zinc/19/54/75/1206195475.db2.gz IANRARWDUDAACW-MDZRGWNJSA-N 2 0 332.488 2.404 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)n(C)n1 ZINC000926358141 1206215387 /nfs/dbraw/zinc/21/53/87/1206215387.db2.gz VHBSOUBANWJKOJ-MJGOQNOKSA-N 2 0 347.551 2.055 10 0 EEAERP CON1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000930137620 1206536927 /nfs/dbraw/zinc/53/69/27/1206536927.db2.gz ISYCCKRHACOTKU-GOSISDBHSA-N 2 0 343.471 2.137 10 0 EEAERP CN(CCC[N@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC[NH+](C)C ZINC000930499178 1206562752 /nfs/dbraw/zinc/56/27/52/1206562752.db2.gz ITIJVGCHNZWGQG-GJZGRUSLSA-N 2 0 339.446 2.302 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001490860625 1210463802 /nfs/dbraw/zinc/46/38/02/1210463802.db2.gz XLKVKVOQYLOZIY-KRWDZBQOSA-N 2 0 348.491 2.194 10 0 EEAERP Cc1cc(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000717960103 1211687893 /nfs/dbraw/zinc/68/78/93/1211687893.db2.gz HVPREGIBFRADTA-UHFFFAOYSA-N 2 0 341.459 2.196 10 0 EEAERP COCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001276327580 1215745728 /nfs/dbraw/zinc/74/57/28/1215745728.db2.gz ZBSSQANAZQEJCK-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720829281 1215965269 /nfs/dbraw/zinc/96/52/69/1215965269.db2.gz CDQRSPRLUHMTIM-QEUVDIPISA-N 2 0 341.499 2.355 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000902904182 1239005704 /nfs/dbraw/zinc/00/57/04/1239005704.db2.gz JZGCCMPWNUFLOP-DLBZAZTESA-N 2 0 348.516 2.450 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)[C@@H]2CCC[C@@H]21 ZINC000903149721 1239874842 /nfs/dbraw/zinc/87/48/42/1239874842.db2.gz IGLKZFOUIIZZKM-YOTSKQKMSA-N 2 0 328.522 2.052 10 0 EEAERP NC(=O)CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000903259908 1240126534 /nfs/dbraw/zinc/12/65/34/1240126534.db2.gz LPYLUCINAZNAOI-DJPWPSDPSA-N 2 0 327.472 2.426 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000903441832 1240483418 /nfs/dbraw/zinc/48/34/18/1240483418.db2.gz BWKGMKAYUGCTMT-HIFRSBDPSA-N 2 0 327.432 2.167 10 0 EEAERP COc1cc(N[C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000903457088 1240524702 /nfs/dbraw/zinc/52/47/02/1240524702.db2.gz NCNQJCUXXDDCNI-OWCLPIDISA-N 2 0 333.476 2.436 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCCOc2ccccc2C)cnn1C ZINC000903923373 1242514314 /nfs/dbraw/zinc/51/43/14/1242514314.db2.gz SBBSMQATSOAZLJ-QGZVFWFLSA-N 2 0 330.476 2.213 10 0 EEAERP CC(C)Oc1ccc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903922956 1242515023 /nfs/dbraw/zinc/51/50/23/1242515023.db2.gz IFEHSRKFXAGFGX-MRXNPFEDSA-N 2 0 329.448 2.280 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCCCOc1ccccc1)C2 ZINC000903977518 1242824988 /nfs/dbraw/zinc/82/49/88/1242824988.db2.gz RSGGAAMPQHEHLA-QKLQHJQFSA-N 2 0 346.471 2.448 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCCCF)CC[C@@H]21 ZINC001490982634 1258536261 /nfs/dbraw/zinc/53/62/61/1258536261.db2.gz MMLCFQONVXHXEU-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001491047836 1258606122 /nfs/dbraw/zinc/60/61/22/1258606122.db2.gz MFDUPIZPOHXUNN-KDURUIRLSA-N 2 0 329.488 2.254 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001491172070 1258741911 /nfs/dbraw/zinc/74/19/11/1258741911.db2.gz AVHGRWWOWUGJHY-YINKOXIBSA-N 2 0 348.318 2.475 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491297340 1258913929 /nfs/dbraw/zinc/91/39/29/1258913929.db2.gz HXHUGMYDOJELEX-SJLPKXTDSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001491476703 1259126702 /nfs/dbraw/zinc/12/67/02/1259126702.db2.gz BJCOTDRXCKHFDC-FZKQIMNGSA-N 2 0 348.491 2.293 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476123 1278575205 /nfs/dbraw/zinc/57/52/05/1278575205.db2.gz BNHLJOXVCIQLMN-KRWDZBQOSA-N 2 0 344.459 2.264 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)C1)CC(C)(C)C ZINC001266712916 1276587964 /nfs/dbraw/zinc/58/79/64/1276587964.db2.gz JMQOXXGTMOGSOX-YESZJQIVSA-N 2 0 339.524 2.018 10 0 EEAERP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001490424628 1291336514 /nfs/dbraw/zinc/33/65/14/1291336514.db2.gz FZJYYDBAADXTKA-AEFFLSMTSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCCCOC)C2)CC[N@@H+]1C ZINC001490435420 1291350890 /nfs/dbraw/zinc/35/08/90/1291350890.db2.gz LLXCASWCNQSHIB-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](C[C@@H](F)CC)CC2 ZINC001490606863 1291518513 /nfs/dbraw/zinc/51/85/13/1291518513.db2.gz VOPYOBVQNWKYRF-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CCCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCF)CC1 ZINC001490621787 1291533789 /nfs/dbraw/zinc/53/37/89/1291533789.db2.gz FVDWDWZFIWRWDU-UHFFFAOYSA-N 2 0 325.472 2.145 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490762646 1291695007 /nfs/dbraw/zinc/69/50/07/1291695007.db2.gz KUMNMVPRFFAYLQ-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C(=O)OC ZINC000851984554 1291942742 /nfs/dbraw/zinc/94/27/42/1291942742.db2.gz DYZUPOAZQZSLFE-AEFFLSMTSA-N 2 0 328.497 2.277 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(=O)OC ZINC000852091524 1291988716 /nfs/dbraw/zinc/98/87/16/1291988716.db2.gz JOCMAKCJLGCSLC-MOPGFXCFSA-N 2 0 340.508 2.279 10 0 EEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1cn(C)nn1 ZINC000859250938 1294364245 /nfs/dbraw/zinc/36/42/45/1294364245.db2.gz RJTSHMMUNOUNRN-HOTGVXAUSA-N 2 0 327.476 2.104 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CCCCCF)C3)C1 ZINC001276885948 1300110433 /nfs/dbraw/zinc/11/04/33/1300110433.db2.gz FAGSQQPMMXXCER-INIZCTEOSA-N 2 0 325.472 2.002 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001277273322 1302138734 /nfs/dbraw/zinc/13/87/34/1302138734.db2.gz VZQLITMEDTXGTF-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001277473526 1303560854 /nfs/dbraw/zinc/56/08/54/1303560854.db2.gz FNRAYEXXIMOYMH-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP C[NH+]1CCC2(CCC[N@H+](CCc3nnnn3-c3ccccc3)C2)CC1 ZINC000799178094 1305177292 /nfs/dbraw/zinc/17/72/92/1305177292.db2.gz GDDOTEFFWAZPEW-UHFFFAOYSA-N 2 0 340.475 2.013 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2ccccc2C)C[C@H]1C ZINC001278416618 1310168820 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788885710 /nfs/dbraw/zinc/88/57/10/788885710.db2.gz JDHQBGSCHPVTCT-HIFRSBDPSA-N 2 0 338.883 2.234 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCc2cccnc21 ZINC000923198388 789116765 /nfs/dbraw/zinc/11/67/65/789116765.db2.gz HXIGFXIUTLCQLT-DOTOQJQBSA-N 2 0 347.507 2.030 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)ccn2)CC1 ZINC000921538330 789120660 /nfs/dbraw/zinc/12/06/60/789120660.db2.gz IQGCIALAFSXJDH-GUDVDZBRSA-N 2 0 344.503 2.128 10 0 EEAERP CCCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000923298936 789332132 /nfs/dbraw/zinc/33/21/32/789332132.db2.gz ZWYLQGODFCRKTC-HMQMGEFJSA-N 2 0 328.522 2.196 10 0 EEAERP COC[C@H](C)[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000923412516 789519925 /nfs/dbraw/zinc/51/99/25/789519925.db2.gz ZBYROMNMJBXVKR-KVSKMBFKSA-N 2 0 330.472 2.389 10 0 EEAERP Cc1cccc(-c2noc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)n2)c1 ZINC000923448435 789561113 /nfs/dbraw/zinc/56/11/13/789561113.db2.gz BZZFORCOIXVJDF-INIZCTEOSA-N 2 0 342.443 2.375 10 0 EEAERP c1ccc(COc2cccc(CN3CC[NH2+]CC[NH2+]CC3)c2)cc1 ZINC000923461507 789595662 /nfs/dbraw/zinc/59/56/62/789595662.db2.gz QETFVIWCICNRDV-UHFFFAOYSA-N 2 0 325.456 2.260 10 0 EEAERP C[C@@H]1C[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923496286 789654162 /nfs/dbraw/zinc/65/41/62/789654162.db2.gz ARMVDTHIEQORSW-SUMDDJOVSA-N 2 0 329.488 2.487 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923490530 789659701 /nfs/dbraw/zinc/65/97/01/789659701.db2.gz DHSRPJLQHNVPNH-MCIONIFRSA-N 2 0 346.393 2.362 10 0 EEAERP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498909 789681569 /nfs/dbraw/zinc/68/15/69/789681569.db2.gz QRTPKEFJAFIFST-WMZOPIPTSA-N 2 0 347.503 2.398 10 0 EEAERP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000923501842 789687167 /nfs/dbraw/zinc/68/71/67/789687167.db2.gz WCJCVRGMILZSJV-BPAFIMBUSA-N 2 0 329.488 2.479 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000913952651 794646502 /nfs/dbraw/zinc/64/65/02/794646502.db2.gz SALBMCWJDUBHAY-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715376670 795372435 /nfs/dbraw/zinc/37/24/35/795372435.db2.gz BXLJYIDEQJXMIJ-QKNQBKEWSA-N 2 0 341.499 2.405 10 0 EEAERP Cc1ccc(CCC[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001566516289 1125688160 /nfs/dbraw/zinc/68/81/60/1125688160.db2.gz GFWKHJKIDMFCQX-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001436459330 1087908577 /nfs/dbraw/zinc/90/85/77/1087908577.db2.gz LIVRQFOUMUYQHJ-SJORKVTESA-N 2 0 333.451 2.058 10 0 EEAERP CC[C@H](C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)OC ZINC001436476293 1087945962 /nfs/dbraw/zinc/94/59/62/1087945962.db2.gz NCNNADMAFJYZJU-IAGOWNOFSA-N 2 0 327.513 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001436480329 1087960409 /nfs/dbraw/zinc/96/04/09/1087960409.db2.gz UUNTWDORZOSZAL-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)[C@@H]1C)[NH+](C)C ZINC001436484102 1087976255 /nfs/dbraw/zinc/97/62/55/1087976255.db2.gz LVQQPWBWYGGGSR-MNEFBYGVSA-N 2 0 346.519 2.172 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCOC1CCC1)[NH+](C)C ZINC001436495448 1088005200 /nfs/dbraw/zinc/00/52/00/1088005200.db2.gz PVPQLRUGEGMJCM-FUHWJXTLSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCOCC1 ZINC001436663780 1088092197 /nfs/dbraw/zinc/09/21/97/1088092197.db2.gz HJZGFYGLNPESHG-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1)Cc1ccccc1 ZINC001436980424 1088680956 /nfs/dbraw/zinc/68/09/56/1088680956.db2.gz UEPWVSIEFHFJPH-IYBDPMFKSA-N 2 0 344.484 2.012 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C2)sn1 ZINC001437068027 1088996650 /nfs/dbraw/zinc/99/66/50/1088996650.db2.gz SHDWIRVHUHUTQB-CABCVRRESA-N 2 0 338.521 2.120 10 0 EEAERP CCc1onc(C)c1C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001437085299 1089029205 /nfs/dbraw/zinc/02/92/05/1089029205.db2.gz BPAHPQBREFEOIU-UHFFFAOYSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001437183624 1089218759 /nfs/dbraw/zinc/21/87/59/1089218759.db2.gz FFHSMAGFSKFQST-LBPRGKRZSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001437210845 1089290002 /nfs/dbraw/zinc/29/00/02/1089290002.db2.gz DOFLKUFEBVEBFY-LSDHHAIUSA-N 2 0 336.455 2.080 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1Cl ZINC001437251126 1089379144 /nfs/dbraw/zinc/37/91/44/1089379144.db2.gz YMBNCWUVMKUEEC-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncs2)C1)C1CCC1 ZINC001437330630 1089509216 /nfs/dbraw/zinc/50/92/16/1089509216.db2.gz LZULJMWNFZPLOB-UONOGXRCSA-N 2 0 336.505 2.144 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCc1ccccc1 ZINC001437402198 1089672833 /nfs/dbraw/zinc/67/28/33/1089672833.db2.gz YYWVHLZBDNKJIC-AOIWGVFYSA-N 2 0 331.504 2.444 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723842 1090277777 /nfs/dbraw/zinc/27/77/77/1090277777.db2.gz FBGGWDPLNFIKNG-CRAIPNDOSA-N 2 0 325.472 2.047 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccnc1 ZINC001437765993 1090346379 /nfs/dbraw/zinc/34/63/79/1090346379.db2.gz UJBSMSJLNNUUOM-RTBURBONSA-N 2 0 344.503 2.427 10 0 EEAERP CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)C[NH+]1CCCC1 ZINC001437846863 1090429963 /nfs/dbraw/zinc/42/99/63/1090429963.db2.gz NYGWQDNDUNVBGH-KRWDZBQOSA-N 2 0 337.414 2.096 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001437883034 1090458297 /nfs/dbraw/zinc/45/82/97/1090458297.db2.gz UVHLRFKQSNLZEG-WMZOPIPTSA-N 2 0 347.503 2.343 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001437913262 1090495452 /nfs/dbraw/zinc/49/54/52/1090495452.db2.gz XXGRZMGBMBGFIX-JKSUJKDBSA-N 2 0 343.462 2.296 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001438236890 1090716822 /nfs/dbraw/zinc/71/68/22/1090716822.db2.gz DMLPRUNGNZOCOH-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001438501719 1090995724 /nfs/dbraw/zinc/99/57/24/1090995724.db2.gz BABCXSUHKWNAPG-OAHLLOKOSA-N 2 0 344.503 2.169 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001438650455 1091135376 /nfs/dbraw/zinc/13/53/76/1091135376.db2.gz KHKFSFYBQWYFLA-FUHWJXTLSA-N 2 0 349.523 2.273 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001438652253 1091138010 /nfs/dbraw/zinc/13/80/10/1091138010.db2.gz NTANYZUIWMPSNE-CJNGLKHVSA-N 2 0 336.480 2.101 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445433138 1091190342 /nfs/dbraw/zinc/19/03/42/1091190342.db2.gz GGIMIUKBTMCBEE-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001445558255 1091332781 /nfs/dbraw/zinc/33/27/81/1091332781.db2.gz PLVTZLHVKNOCCB-LBPRGKRZSA-N 2 0 325.403 2.043 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cnccc2C)C1 ZINC001445594294 1091386279 /nfs/dbraw/zinc/38/62/79/1091386279.db2.gz OLXZKYIMPRJUKO-DLBZAZTESA-N 2 0 332.492 2.106 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001438788326 1091388930 /nfs/dbraw/zinc/38/89/30/1091388930.db2.gz FYOOYDSNSLOFPG-ROUUACIJSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001438807759 1091419415 /nfs/dbraw/zinc/41/94/15/1091419415.db2.gz GUXSNRFFJUKBDP-OKZBNKHCSA-N 2 0 346.519 2.351 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/c1ccccc1 ZINC001438835994 1091462604 /nfs/dbraw/zinc/46/26/04/1091462604.db2.gz CMOFANBRJZNTQI-PDBZHATLSA-N 2 0 329.488 2.382 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)cs1 ZINC001438847016 1091486037 /nfs/dbraw/zinc/48/60/37/1091486037.db2.gz HXOQIGAJNKYVBM-OAHLLOKOSA-N 2 0 326.510 2.022 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)n1 ZINC001439239510 1091886828 /nfs/dbraw/zinc/88/68/28/1091886828.db2.gz PMIJXBDRPGWHQW-HNNXBMFYSA-N 2 0 332.492 2.167 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C(Cl)=C/Cl)C1CC1 ZINC001445948103 1091888974 /nfs/dbraw/zinc/88/89/74/1091888974.db2.gz FBSZHRWZXUQRMV-GJQIVEAUSA-N 2 0 334.291 2.274 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)n1 ZINC001439367222 1092096750 /nfs/dbraw/zinc/09/67/50/1092096750.db2.gz OVSNLHNPVXDGSG-SJORKVTESA-N 2 0 346.519 2.483 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cnccc1C ZINC001439413353 1092182748 /nfs/dbraw/zinc/18/27/48/1092182748.db2.gz YLWAVFVGLBDYGZ-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1cc(F)ccc1F ZINC001439671141 1092611490 /nfs/dbraw/zinc/61/14/90/1092611490.db2.gz GMXADEZURINZKW-ZDUSSCGKSA-N 2 0 337.414 2.360 10 0 EEAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CC1)[NH+]1CCCCC1 ZINC001439674532 1092616054 /nfs/dbraw/zinc/61/60/54/1092616054.db2.gz GKPXYZYOVGTKGH-JKSUJKDBSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001439860516 1092892733 /nfs/dbraw/zinc/89/27/33/1092892733.db2.gz RCJFHORVTJOPQW-FXAWDEMLSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439913127 1092984807 /nfs/dbraw/zinc/98/48/07/1092984807.db2.gz LBEKIBGEOWPRTG-AEFFLSMTSA-N 2 0 335.517 2.336 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(F)(F)F ZINC001440183766 1093240929 /nfs/dbraw/zinc/24/09/29/1093240929.db2.gz CSUCNRBWEXFJDQ-UONOGXRCSA-N 2 0 335.414 2.346 10 0 EEAERP CC[C@H](C(=O)N1CC2(C1)CC[NH+]([C@@H](C)COC)CC2)[NH+](CC)CC ZINC001440229535 1093312610 /nfs/dbraw/zinc/31/26/10/1093312610.db2.gz GSVFZEGWSIUTRD-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001440363564 1093529049 /nfs/dbraw/zinc/52/90/49/1093529049.db2.gz IWBXHPIOKUMJGJ-HDJSIYSDSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](Cc1cccnc1)CC2 ZINC001440416938 1093612420 /nfs/dbraw/zinc/61/24/20/1093612420.db2.gz NIKIIDJWKQGLIT-QGZVFWFLSA-N 2 0 344.503 2.236 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH2+]CC2CCC2)C1 ZINC001440419306 1093614442 /nfs/dbraw/zinc/61/44/42/1093614442.db2.gz GRYOWVOOURTLQE-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N(C)CCCN(C)Cc2ccns2)cn1 ZINC001440426854 1093625068 /nfs/dbraw/zinc/62/50/68/1093625068.db2.gz IQIOUDVRWHQHOD-UHFFFAOYSA-N 2 0 349.504 2.364 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CCCF)[C@H]3C2(C)C)CC1 ZINC001440441067 1093647813 /nfs/dbraw/zinc/64/78/13/1093647813.db2.gz JTFPDNXKOKCSDB-BZUAXINKSA-N 2 0 339.499 2.293 10 0 EEAERP CC(C)CCCN1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)n1ccnc1)CO2 ZINC001440510835 1093757063 /nfs/dbraw/zinc/75/70/63/1093757063.db2.gz NWJBLQDFMMWFIS-IAGOWNOFSA-N 2 0 348.491 2.230 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001448707683 1093773313 /nfs/dbraw/zinc/77/33/13/1093773313.db2.gz HWEXCUWUDKVXSM-AVGNSLFASA-N 2 0 336.307 2.472 10 0 EEAERP COCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001440527283 1093781288 /nfs/dbraw/zinc/78/12/88/1093781288.db2.gz IONGIIATDGMORU-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001448724388 1093795306 /nfs/dbraw/zinc/79/53/06/1093795306.db2.gz VCMMKTBHWAYDEW-KGLIPLIRSA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001448774581 1093852749 /nfs/dbraw/zinc/85/27/49/1093852749.db2.gz KAPCMLWBLXQNRC-MRXNPFEDSA-N 2 0 334.508 2.029 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001440671043 1093934941 /nfs/dbraw/zinc/93/49/41/1093934941.db2.gz MYSCCIGLSMFRGQ-HOCLYGCPSA-N 2 0 336.480 2.232 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001440791545 1094032938 /nfs/dbraw/zinc/03/29/38/1094032938.db2.gz FUYXLIBBRGPNQW-HZPDHXFCSA-N 2 0 347.503 2.300 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001449031638 1094041466 /nfs/dbraw/zinc/04/14/66/1094041466.db2.gz FDZIKOBQDSIHTL-GBESFXJTSA-N 2 0 344.503 2.058 10 0 EEAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC=C(Cl)Cl ZINC001449096156 1094106730 /nfs/dbraw/zinc/10/67/30/1094106730.db2.gz ZLZHKPLZALEGGZ-GFCCVEGCSA-N 2 0 346.302 2.228 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001440882911 1094141071 /nfs/dbraw/zinc/14/10/71/1094141071.db2.gz YEVWQKFOBWIMJN-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(F)(F)F ZINC001440935705 1094188633 /nfs/dbraw/zinc/18/86/33/1094188633.db2.gz BKSQRFDLDBBGOG-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)CCCC(C)(C)C ZINC001440987845 1094251498 /nfs/dbraw/zinc/25/14/98/1094251498.db2.gz KWSBCDFLUBOSLF-INIZCTEOSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001449307422 1094261539 /nfs/dbraw/zinc/26/15/39/1094261539.db2.gz HVXGXTBUSLZAEH-GDBMZVCRSA-N 2 0 341.540 2.141 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001449311100 1094265310 /nfs/dbraw/zinc/26/53/10/1094265310.db2.gz SAQRJBQZPIKGLI-CABCVRRESA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC2)o1 ZINC001449369254 1094336960 /nfs/dbraw/zinc/33/69/60/1094336960.db2.gz DXFBRNDIOBSDLF-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001441143197 1094480435 /nfs/dbraw/zinc/48/04/35/1094480435.db2.gz DDIJQAGMYHRREJ-RHSMWYFYSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC001441194369 1094553586 /nfs/dbraw/zinc/55/35/86/1094553586.db2.gz NFMWZTSSKRHPBE-XWIAVFTESA-N 2 0 333.451 2.150 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001441339229 1094826494 /nfs/dbraw/zinc/82/64/94/1094826494.db2.gz VSFYBURKKNEQDS-BGYRXZFFSA-N 2 0 329.488 2.309 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001441411480 1094990086 /nfs/dbraw/zinc/99/00/86/1094990086.db2.gz ROJMUZQPOYZRPS-MSOLQXFVSA-N 2 0 332.492 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC001441415391 1094998207 /nfs/dbraw/zinc/99/82/07/1094998207.db2.gz FUVKFWZGNKRTBO-HAQNSBGRSA-N 2 0 327.831 2.168 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001441436576 1095047059 /nfs/dbraw/zinc/04/70/59/1095047059.db2.gz GKORNQUURJAIGJ-KZNAEPCWSA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1N(C)C ZINC001441514859 1095209683 /nfs/dbraw/zinc/20/96/83/1095209683.db2.gz VPSNSYHBTHPZSG-JFIYKMOQSA-N 2 0 346.519 2.029 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001441869580 1095979320 /nfs/dbraw/zinc/97/93/20/1095979320.db2.gz RPXVESGGWFCMAT-JCGIZDLHSA-N 2 0 333.476 2.020 10 0 EEAERP CC(C)C[NH2+][C@@H](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1 ZINC001441915618 1096093764 /nfs/dbraw/zinc/09/37/64/1096093764.db2.gz OCSRZFJDMRMNEL-IBGZPJMESA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccccc1OC1CC1 ZINC001441932867 1096123476 /nfs/dbraw/zinc/12/34/76/1096123476.db2.gz FYZQAUDVGPUXBE-OAHLLOKOSA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001442182058 1096451071 /nfs/dbraw/zinc/45/10/71/1096451071.db2.gz DQWZAFNYNYGHOQ-GJZGRUSLSA-N 2 0 336.480 2.267 10 0 EEAERP Cc1cnc([C@@H](C)[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001442208573 1096496744 /nfs/dbraw/zinc/49/67/44/1096496744.db2.gz FXHXUTLYYLOAPI-IAGOWNOFSA-N 2 0 347.507 2.109 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001442255645 1096556310 /nfs/dbraw/zinc/55/63/10/1096556310.db2.gz DOTZOXGKAWCZQH-UHFFFAOYSA-N 2 0 336.480 2.217 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC001442616276 1096986266 /nfs/dbraw/zinc/98/62/66/1096986266.db2.gz ZYEPFLZIHJKNBZ-PBHICJAKSA-N 2 0 335.879 2.327 10 0 EEAERP Cc1ccc(C[N@H+](CCNC(=O)C[NH+]2CCCC2)C2CC2)c(C)c1 ZINC001443073133 1097484937 /nfs/dbraw/zinc/48/49/37/1097484937.db2.gz QDLFGIDNQNGKBS-UHFFFAOYSA-N 2 0 329.488 2.480 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CN(CCCc2ccccc2)C1 ZINC001443480357 1097976684 /nfs/dbraw/zinc/97/66/84/1097976684.db2.gz KJCYAWCYBULLMD-LJQANCHMSA-N 2 0 329.488 2.294 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001443821707 1098323637 /nfs/dbraw/zinc/32/36/37/1098323637.db2.gz YSHIDDCDRUJTAU-QZTJIDSGSA-N 2 0 335.467 2.399 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC001443937015 1098456312 /nfs/dbraw/zinc/45/63/12/1098456312.db2.gz WFZBUUNXDMTWBZ-DOTOQJQBSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001444024255 1098542069 /nfs/dbraw/zinc/54/20/69/1098542069.db2.gz VHHHIEVSROGDPQ-FUHWJXTLSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1sc(C)nc1C ZINC001444038235 1098558248 /nfs/dbraw/zinc/55/82/48/1098558248.db2.gz ORZZUEVWMDOQEV-HUUCEWRRSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1c(F)cccc1F ZINC001444322930 1098884225 /nfs/dbraw/zinc/88/42/25/1098884225.db2.gz KKEBSTMNCJZOSR-GUYCJALGSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001444377357 1098956133 /nfs/dbraw/zinc/95/61/33/1098956133.db2.gz FVOWOQWEJYJKCZ-GJZGRUSLSA-N 2 0 345.478 2.496 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC001479778218 1098961822 /nfs/dbraw/zinc/96/18/22/1098961822.db2.gz PTHXPOVXUUUCIN-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CCn1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001444384302 1098970645 /nfs/dbraw/zinc/97/06/45/1098970645.db2.gz WNOVGRMTSBJPCR-DLBZAZTESA-N 2 0 349.523 2.009 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001444391707 1098984754 /nfs/dbraw/zinc/98/47/54/1098984754.db2.gz RGCCZIFBCPPQLT-CVEARBPZSA-N 2 0 335.467 2.318 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(Cl)cc1F ZINC001444403589 1099006743 /nfs/dbraw/zinc/00/67/43/1099006743.db2.gz ILQNMTCVIRGVFC-ZDUSSCGKSA-N 2 0 341.858 2.417 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001444619270 1099446031 /nfs/dbraw/zinc/44/60/31/1099446031.db2.gz YOPBMPVPYGUXGD-UKRRQHHQSA-N 2 0 331.451 2.343 10 0 EEAERP O=C(NC[C@@H]([NH2+]CCCF)C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480023331 1099504930 /nfs/dbraw/zinc/50/49/30/1099504930.db2.gz MIMZLOIYVHVLON-IAGOWNOFSA-N 2 0 325.472 2.237 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001444669348 1099508756 /nfs/dbraw/zinc/50/87/56/1099508756.db2.gz GPXGJTLDXDLPTG-JZXOWHBKSA-N 2 0 332.492 2.057 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001480232774 1099859531 /nfs/dbraw/zinc/85/95/31/1099859531.db2.gz QHIBVHAEGNJIPL-MELADBBJSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480240596 1099875273 /nfs/dbraw/zinc/87/52/73/1099875273.db2.gz YIBYVJITYNFOEJ-KSZLIROESA-N 2 0 348.491 2.230 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cccnc2)C(C)C)C1 ZINC001444890425 1099929665 /nfs/dbraw/zinc/92/96/65/1099929665.db2.gz JFFLEPFKGLFBCX-RBUKOAKNSA-N 2 0 346.519 2.434 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001480259325 1099931852 /nfs/dbraw/zinc/93/18/52/1099931852.db2.gz HJHSVYKHTIFJMT-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2conc2C)C1 ZINC001480386478 1100187477 /nfs/dbraw/zinc/18/74/77/1100187477.db2.gz MLGGRLQWXZGWPW-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001480458984 1100263184 /nfs/dbraw/zinc/26/31/84/1100263184.db2.gz GXTLJQKDAXVESX-LPHOPBHVSA-N 2 0 347.503 2.300 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)o1 ZINC001445108800 1100347093 /nfs/dbraw/zinc/34/70/93/1100347093.db2.gz KDSALDFXRXSPCL-CABCVRRESA-N 2 0 336.480 2.124 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001480548123 1100384665 /nfs/dbraw/zinc/38/46/65/1100384665.db2.gz IIWJJFHGJPEQLC-UKRRQHHQSA-N 2 0 331.451 2.389 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001445358650 1100594944 /nfs/dbraw/zinc/59/49/44/1100594944.db2.gz CNBBEUBUIMFJFJ-CXAGYDPISA-N 2 0 339.430 2.432 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496208816 1100751388 /nfs/dbraw/zinc/75/13/88/1100751388.db2.gz YLOFTXHMWVXHSB-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(O)ccc1Cl ZINC001496246952 1100816361 /nfs/dbraw/zinc/81/63/61/1100816361.db2.gz DFCLGAXRLCIUQW-CYBMUJFWSA-N 2 0 341.883 2.322 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(F)cn1 ZINC001495146415 1100817782 /nfs/dbraw/zinc/81/77/82/1100817782.db2.gz WQWADMFGLYHXKF-NVXWUHKLSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001495160096 1100831976 /nfs/dbraw/zinc/83/19/76/1100831976.db2.gz BECRIOZSYAFJQC-OWCLPIDISA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001495277310 1100974315 /nfs/dbraw/zinc/97/43/15/1100974315.db2.gz CHZBTMVOQYOBPA-CQSZACIVSA-N 2 0 335.414 2.155 10 0 EEAERP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001495280628 1100978222 /nfs/dbraw/zinc/97/82/22/1100978222.db2.gz PIVXNBPGPSTIKF-AZUAARDMSA-N 2 0 346.519 2.413 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001496415203 1101009043 /nfs/dbraw/zinc/00/90/43/1101009043.db2.gz NVRIIZQMVZJRBA-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001496418951 1101012997 /nfs/dbraw/zinc/01/29/97/1101012997.db2.gz MCNGMULVFZVLOS-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001496431798 1101023878 /nfs/dbraw/zinc/02/38/78/1101023878.db2.gz WXQNICSMXDRQPC-AWEZNQCLSA-N 2 0 335.414 2.395 10 0 EEAERP C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449648 1101041886 /nfs/dbraw/zinc/04/18/86/1101041886.db2.gz PCDWREBAIWERNL-HOCLYGCPSA-N 2 0 348.491 2.220 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001495385825 1101105650 /nfs/dbraw/zinc/10/56/50/1101105650.db2.gz IAGAEDTWAQHMMK-ROUUACIJSA-N 2 0 344.503 2.142 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001495389293 1101108684 /nfs/dbraw/zinc/10/86/84/1101108684.db2.gz CECFRSMDPRXCNT-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCCCF)CC2)C1 ZINC001495474133 1101185238 /nfs/dbraw/zinc/18/52/38/1101185238.db2.gz HEZGMICJUMXDNH-ULQDDVLXSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)cc1F ZINC001496643033 1101248384 /nfs/dbraw/zinc/24/83/84/1101248384.db2.gz MPKIQIMJWCJGIH-SFHVURJKSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496705527 1101304720 /nfs/dbraw/zinc/30/47/20/1101304720.db2.gz VHBQDRWYVJHJEE-LJQANCHMSA-N 2 0 329.488 2.227 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@H]3CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]32)o1 ZINC001496867143 1101640985 /nfs/dbraw/zinc/64/09/85/1101640985.db2.gz JGWPVRYEJZIRHM-IRXDYDNUSA-N 2 0 348.491 2.054 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001446949539 1101643418 /nfs/dbraw/zinc/64/34/18/1101643418.db2.gz QNVCVTTULTZNAL-VQIMIIECSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)no1 ZINC001496871139 1101647546 /nfs/dbraw/zinc/64/75/46/1101647546.db2.gz WTTUOOVLUZQXNL-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001497206116 1102125369 /nfs/dbraw/zinc/12/53/69/1102125369.db2.gz PHOTXWTXUKXASU-AAEUAGOBSA-N 2 0 346.928 2.367 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001447219220 1102228599 /nfs/dbraw/zinc/22/85/99/1102228599.db2.gz UACBIFSHSFTGFL-OAHLLOKOSA-N 2 0 325.472 2.239 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)n1 ZINC001497332562 1102340320 /nfs/dbraw/zinc/34/03/20/1102340320.db2.gz PICFQMWTMSYVPY-AWEZNQCLSA-N 2 0 338.521 2.312 10 0 EEAERP CCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001447430985 1102641475 /nfs/dbraw/zinc/64/14/75/1102641475.db2.gz UDFQWOJLNPKWFH-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001497589214 1102709157 /nfs/dbraw/zinc/70/91/57/1102709157.db2.gz ZKSXCHAESHXLFS-BDUNBXCCSA-N 2 0 333.480 2.098 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccccn2)cc1 ZINC001497703105 1102934316 /nfs/dbraw/zinc/93/43/16/1102934316.db2.gz ZXHLXLMVDLBDTM-AATRIKPKSA-N 2 0 338.455 2.219 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497798169 1103123643 /nfs/dbraw/zinc/12/36/43/1103123643.db2.gz SIPYMKSYYJJMGX-KDOFPFPSSA-N 2 0 332.492 2.202 10 0 EEAERP CCc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497831203 1103162476 /nfs/dbraw/zinc/16/24/76/1103162476.db2.gz GQEQDTXQIOCMHJ-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494051187 1103430890 /nfs/dbraw/zinc/43/08/90/1103430890.db2.gz UJFAETXDJJRIMJ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCOCC1 ZINC001448104960 1104013118 /nfs/dbraw/zinc/01/31/18/1104013118.db2.gz SEXJZXZQVZOGMI-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[NH+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448282433 1104314542 /nfs/dbraw/zinc/31/45/42/1104314542.db2.gz RFKBZELAKCAXFU-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001494841443 1104440599 /nfs/dbraw/zinc/44/05/99/1104440599.db2.gz HQVLWKWWFXZIBP-SFHVURJKSA-N 2 0 332.492 2.073 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001494981336 1104624117 /nfs/dbraw/zinc/62/41/17/1104624117.db2.gz OBECTMZYSFNOKI-OLZOCXBDSA-N 2 0 334.291 2.132 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497984261 1106736827 /nfs/dbraw/zinc/73/68/27/1106736827.db2.gz XLFCGXBCGTUXDB-RAQZUPNJSA-N 2 0 335.879 2.399 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001480679709 1106868848 /nfs/dbraw/zinc/86/88/48/1106868848.db2.gz CJMJYEMEJWWNOG-JNLAIUADSA-N 2 0 329.488 2.478 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2nocc2C)C1 ZINC001480710335 1106934318 /nfs/dbraw/zinc/93/43/18/1106934318.db2.gz VQDWAIDQUWSLOQ-HOTGVXAUSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480734472 1107003229 /nfs/dbraw/zinc/00/32/29/1107003229.db2.gz GMMBISPCEGEYHI-QZTJIDSGSA-N 2 0 341.540 2.311 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480793411 1107126595 /nfs/dbraw/zinc/12/65/95/1107126595.db2.gz AXQNNRYGYPEYQJ-GDBMZVCRSA-N 2 0 336.480 2.230 10 0 EEAERP Cc1ccccc1OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498286998 1107217612 /nfs/dbraw/zinc/21/76/12/1107217612.db2.gz CWFUCOWTNQUIJR-KZNAEPCWSA-N 2 0 347.503 2.151 10 0 EEAERP Cc1ncccc1C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001480833185 1107227559 /nfs/dbraw/zinc/22/75/59/1107227559.db2.gz OTIQOUQIRXKNMA-LJQANCHMSA-N 2 0 344.503 2.347 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@H]2CCCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001480833334 1107231035 /nfs/dbraw/zinc/23/10/35/1107231035.db2.gz RNQRQHSFLSXGRL-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001498456877 1107564524 /nfs/dbraw/zinc/56/45/24/1107564524.db2.gz QICUMWRJJWNZCR-KBPBESRZSA-N 2 0 337.430 2.496 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001498561297 1107724672 /nfs/dbraw/zinc/72/46/72/1107724672.db2.gz ZPBXFIWHKXBDIL-UHFFFAOYSA-N 2 0 335.467 2.291 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)C1CC1 ZINC001498816646 1108158095 /nfs/dbraw/zinc/15/80/95/1108158095.db2.gz IDCLJKGNZKZBLT-JXFKEZNVSA-N 2 0 343.515 2.228 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1c(C)nsc1C ZINC001493569555 1108333096 /nfs/dbraw/zinc/33/30/96/1108333096.db2.gz KLNOEKRQPIYYII-MRXNPFEDSA-N 2 0 338.521 2.182 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]Cc2cncc(F)c2)ccc2c[nH+]cn21 ZINC001493610091 1108399170 /nfs/dbraw/zinc/39/91/70/1108399170.db2.gz QIJFBEIMMRCWNZ-UHFFFAOYSA-N 2 0 341.390 2.039 10 0 EEAERP CCCC[N@H+](C)CCn1c(CC)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001460492692 1110294961 /nfs/dbraw/zinc/29/49/61/1110294961.db2.gz GSNAJHBLELICDB-SJORKVTESA-N 2 0 348.539 2.245 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001465233817 1110413762 /nfs/dbraw/zinc/41/37/62/1110413762.db2.gz CKWPOYCWIPNVGC-GOSISDBHSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC1CCCC1 ZINC001472116708 1110544116 /nfs/dbraw/zinc/54/41/16/1110544116.db2.gz UELKQCMPMVTYFV-SJLPKXTDSA-N 2 0 333.520 2.347 10 0 EEAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479294867 1110677223 /nfs/dbraw/zinc/67/72/23/1110677223.db2.gz JUZFSKYVIPCWHH-FPAYPSAMSA-N 2 0 335.536 2.495 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001479322639 1110681425 /nfs/dbraw/zinc/68/14/25/1110681425.db2.gz XWCFGZNITBOLIG-BSXFFOKHSA-N 2 0 345.478 2.431 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cc(F)cc(F)c3)CC2)C1 ZINC001499422144 1112278877 /nfs/dbraw/zinc/27/88/77/1112278877.db2.gz UOURTPFLBKRFNA-ZDUSSCGKSA-N 2 0 337.414 2.045 10 0 EEAERP O=C(Cc1c[nH]cn1)NCC[N@H+](C[C@H]1CCOC1)C1CCCCCC1 ZINC001499523078 1112339681 /nfs/dbraw/zinc/33/96/81/1112339681.db2.gz YZDRXUTZPJJHCQ-MRXNPFEDSA-N 2 0 348.491 2.130 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC[C@H](C)F)CC1 ZINC001499939114 1112548258 /nfs/dbraw/zinc/54/82/58/1112548258.db2.gz JMQIPFJHXMDMQH-RDJZCZTQSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCc2ccccc2)C1 ZINC001499950973 1112552888 /nfs/dbraw/zinc/55/28/88/1112552888.db2.gz SHAZVFSKUUWLRU-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001500496697 1112888369 /nfs/dbraw/zinc/88/83/69/1112888369.db2.gz XGFLTWQQRCNHFS-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@](C)(CNC(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001500519057 1112911014 /nfs/dbraw/zinc/91/10/14/1112911014.db2.gz JPEWRCQNZLZYKK-HXUWFJFHSA-N 2 0 346.519 2.368 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCO)cc1 ZINC001501681827 1113432636 /nfs/dbraw/zinc/43/26/36/1113432636.db2.gz RJKYNWDNVVAMOM-LPHOPBHVSA-N 2 0 347.503 2.210 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCc2ccsc2)CCC1 ZINC001501927861 1113526406 /nfs/dbraw/zinc/52/64/06/1113526406.db2.gz DENBBQMMXRTIOA-MRXNPFEDSA-N 2 0 335.517 2.403 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001502138650 1113612197 /nfs/dbraw/zinc/61/21/97/1113612197.db2.gz WLGCTAVJJFZGNR-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001502346433 1113638296 /nfs/dbraw/zinc/63/82/96/1113638296.db2.gz UEXVBMOJHFGSLP-ZWKOTPCHSA-N 2 0 348.491 2.280 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001505685628 1114130561 /nfs/dbraw/zinc/13/05/61/1114130561.db2.gz IGDFPMDHMMUMJY-NWDGAFQWSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506056317 1114380834 /nfs/dbraw/zinc/38/08/34/1114380834.db2.gz DQNOFBHQJKKFCL-HNAYVOBHSA-N 2 0 329.488 2.064 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506065808 1114389820 /nfs/dbraw/zinc/38/98/20/1114389820.db2.gz WPDAXBOCRMXYMQ-OAHLLOKOSA-N 2 0 330.476 2.445 10 0 EEAERP Cc1oncc1C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001506518571 1114668208 /nfs/dbraw/zinc/66/82/08/1114668208.db2.gz RVEHJPHIEXTVCX-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1coc(C2CC2)n1 ZINC001506992632 1115037646 /nfs/dbraw/zinc/03/76/46/1115037646.db2.gz KVZUBMLKKCTVNY-NVXWUHKLSA-N 2 0 348.491 2.124 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001507014162 1115054811 /nfs/dbraw/zinc/05/48/11/1115054811.db2.gz WJDMCMUXSQZSPF-PLHDSQEVSA-N 2 0 327.900 2.438 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001507118765 1115117667 /nfs/dbraw/zinc/11/76/67/1115117667.db2.gz QDIINWOCXSLVNI-MLGOLLRUSA-N 2 0 339.430 2.340 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001507118199 1115117703 /nfs/dbraw/zinc/11/77/03/1115117703.db2.gz MFCYWIAZTJMIIK-DNVCBOLYSA-N 2 0 329.488 2.452 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001507296425 1115179522 /nfs/dbraw/zinc/17/95/22/1115179522.db2.gz IVERLBWYUTYKLR-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1ccncc1C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001508065425 1115408895 /nfs/dbraw/zinc/40/88/95/1115408895.db2.gz ZKKLIAHFYVYOBP-MRXNPFEDSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001508073741 1115412043 /nfs/dbraw/zinc/41/20/43/1115412043.db2.gz JMYOBUQJDOGQJT-SEIPJRMCSA-N 2 0 327.900 2.440 10 0 EEAERP COCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001508129557 1115424692 /nfs/dbraw/zinc/42/46/92/1115424692.db2.gz WHMABRMPVKBKCT-VMWRSERWSA-N 2 0 337.508 2.009 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001508141084 1115426708 /nfs/dbraw/zinc/42/67/08/1115426708.db2.gz NPQDHLCWTSQOIS-YMAMQOFZSA-N 2 0 338.883 2.154 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CCc2ccccc2F)C2CC2)C1 ZINC001568032491 1124239878 /nfs/dbraw/zinc/23/98/78/1124239878.db2.gz RKHVMDYECCUWNW-JXFKEZNVSA-N 2 0 347.478 2.194 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001568067029 1124272019 /nfs/dbraw/zinc/27/20/19/1124272019.db2.gz VDXHYXBWRQFJJX-QGZVFWFLSA-N 2 0 335.467 2.496 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001568097980 1124301342 /nfs/dbraw/zinc/30/13/42/1124301342.db2.gz NJZZAAXGDWBVIP-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001568112313 1124308455 /nfs/dbraw/zinc/30/84/55/1124308455.db2.gz UDGLKUXXLOZGTB-IYARVYRRSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568407793 1124476886 /nfs/dbraw/zinc/47/68/86/1124476886.db2.gz VADJEILLUDFONG-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cscn1 ZINC001568684865 1124697369 /nfs/dbraw/zinc/69/73/69/1124697369.db2.gz LTLRFBCYNNIVID-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)co1 ZINC001568694877 1124708742 /nfs/dbraw/zinc/70/87/42/1124708742.db2.gz PUUGJAZECQMUSG-CQSZACIVSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569013855 1125042240 /nfs/dbraw/zinc/04/22/40/1125042240.db2.gz DHTZHBISVHSPJR-RDBSUJKOSA-N 2 0 338.883 2.060 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569188050 1125153172 /nfs/dbraw/zinc/15/31/72/1125153172.db2.gz BKGFEFMDGPCENA-ZDUSSCGKSA-N 2 0 329.897 2.434 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001569270249 1125209439 /nfs/dbraw/zinc/20/94/39/1125209439.db2.gz OGJYKZDDBOKUSV-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001569329191 1125231982 /nfs/dbraw/zinc/23/19/82/1125231982.db2.gz HMQGMBHXUIHWRC-IEBWSBKVSA-N 2 0 347.478 2.194 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC001569329944 1125232771 /nfs/dbraw/zinc/23/27/71/1125232771.db2.gz XFLDYLUWEFSFJF-KBPBESRZSA-N 2 0 348.318 2.151 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCC(=O)Nc1cccc(Cl)c1C ZINC000422856145 536595161 /nfs/dbraw/zinc/59/51/61/536595161.db2.gz DTGWTIVNZIERIY-CYBMUJFWSA-N 2 0 327.856 2.321 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cn1 ZINC000422784008 240225942 /nfs/dbraw/zinc/22/59/42/240225942.db2.gz PCGGXVOLMVEHKM-DSLXNQLJSA-N 2 0 331.508 2.289 10 0 EEAERP c1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801315 240233029 /nfs/dbraw/zinc/23/30/29/240233029.db2.gz BRLGGBRDVUCSST-WOJBJXKFSA-N 2 0 329.488 2.139 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423043814 240340940 /nfs/dbraw/zinc/34/09/40/240340940.db2.gz QARJOOORKUIWAJ-QWHCGFSZSA-N 2 0 329.847 2.401 10 0 EEAERP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000425370350 241141281 /nfs/dbraw/zinc/14/12/81/241141281.db2.gz NYONCKPEFAJHIQ-MSOLQXFVSA-N 2 0 347.528 2.368 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000447040971 242242274 /nfs/dbraw/zinc/24/22/74/242242274.db2.gz WRONNAROOUZWDT-YJBOKZPZSA-N 2 0 336.524 2.233 10 0 EEAERP O=C(C[C@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246713731 243300176 /nfs/dbraw/zinc/30/01/76/243300176.db2.gz XARLYRDVXPJYRG-MVCQKVDPSA-N 2 0 327.472 2.440 10 0 EEAERP CN(c1ccccc1C[NH2+]CCc1cn(C)cn1)C1CC[NH+](C)CC1 ZINC000459668809 245203852 /nfs/dbraw/zinc/20/38/52/245203852.db2.gz UEWDBIALEZUITL-UHFFFAOYSA-N 2 0 341.503 2.283 10 0 EEAERP CCC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCC1 ZINC000459804967 245251924 /nfs/dbraw/zinc/25/19/24/245251924.db2.gz PHZGGSWLQQNVKX-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccccc1C[N@@H+]1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019237157 212007864 /nfs/dbraw/zinc/00/78/64/212007864.db2.gz OCMYCEXOKPPCEP-MRXNPFEDSA-N 2 0 336.443 2.083 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000110993426 220088676 /nfs/dbraw/zinc/08/86/76/220088676.db2.gz JDJMCFFOQIRXAF-INIZCTEOSA-N 2 0 333.476 2.231 10 0 EEAERP CSCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000011874543 211262189 /nfs/dbraw/zinc/26/21/89/211262189.db2.gz BFGNTSBRBJCAOR-KRWDZBQOSA-N 2 0 338.517 2.365 10 0 EEAERP COc1cc2[nH+]ccc(N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000418991580 533179332 /nfs/dbraw/zinc/17/93/32/533179332.db2.gz FBUVYKNDYOFXQU-KBPBESRZSA-N 2 0 345.443 2.143 10 0 EEAERP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000270347086 256125807 /nfs/dbraw/zinc/12/58/07/256125807.db2.gz MXBHZNFFFREOOZ-ZWKOTPCHSA-N 2 0 330.476 2.215 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119015645 292240392 /nfs/dbraw/zinc/24/03/92/292240392.db2.gz KRONWLAXTZNIBV-UHFFFAOYSA-N 2 0 326.529 2.336 10 0 EEAERP CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000263146677 152386615 /nfs/dbraw/zinc/38/66/15/152386615.db2.gz CUHMXQJZLBYSLY-KRWDZBQOSA-N 2 0 341.459 2.299 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352315120 153052550 /nfs/dbraw/zinc/05/25/50/153052550.db2.gz UGVOVBAXYQLNDJ-IYBDPMFKSA-N 2 0 347.569 2.004 10 0 EEAERP C(CN1CCC[C@H]1C[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172161848 159776508 /nfs/dbraw/zinc/77/65/08/159776508.db2.gz JEOUFXFBRZZVOF-BGYRXZFFSA-N 2 0 334.552 2.107 10 0 EEAERP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000191962497 160164517 /nfs/dbraw/zinc/16/45/17/160164517.db2.gz ROISENHWIYGCNK-UHFFFAOYSA-N 2 0 334.427 2.293 10 0 EEAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000345477666 161304673 /nfs/dbraw/zinc/30/46/73/161304673.db2.gz WZKZOJKVTUIKBS-CPFNUKBASA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000355410802 163179781 /nfs/dbraw/zinc/17/97/81/163179781.db2.gz LINITQOQSKTSNP-IYBDPMFKSA-N 2 0 326.444 2.420 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000368227612 166072913 /nfs/dbraw/zinc/07/29/13/166072913.db2.gz OWSMMUNJNMQCPN-YOEHRIQHSA-N 2 0 345.422 2.008 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171573874 227147214 /nfs/dbraw/zinc/14/72/14/227147214.db2.gz IQADHIPIKNVZRR-SJORKVTESA-N 2 0 346.475 2.296 10 0 EEAERP CC[NH+](CC)CC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190570740 274044937 /nfs/dbraw/zinc/04/49/37/274044937.db2.gz KPAYCVJGXOWMMU-OAHLLOKOSA-N 2 0 338.521 2.074 10 0 EEAERP CC1=CC[NH+](CCNC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000341360033 276182875 /nfs/dbraw/zinc/18/28/75/276182875.db2.gz DIDHLUZWABVVJV-SFHVURJKSA-N 2 0 344.503 2.458 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000152396465 277392980 /nfs/dbraw/zinc/39/29/80/277392980.db2.gz RJNWINXKVNPDBI-GOSISDBHSA-N 2 0 336.524 2.377 10 0 EEAERP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCCC[NH+]1CCCC1 ZINC000293524409 293230019 /nfs/dbraw/zinc/23/00/19/293230019.db2.gz BGQBDWMXGPWFSX-UHFFFAOYSA-N 2 0 329.444 2.138 10 0 EEAERP C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H](C[NH3+])C1 ZINC000333496850 312156481 /nfs/dbraw/zinc/15/64/81/312156481.db2.gz CXGZBRGFVSKKLR-YJBOKZPZSA-N 2 0 345.491 2.067 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000414728725 313070184 /nfs/dbraw/zinc/07/01/84/313070184.db2.gz CSMUEBJWXHLGSV-CVEARBPZSA-N 2 0 345.491 2.030 10 0 EEAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414781083 313086712 /nfs/dbraw/zinc/08/67/12/313086712.db2.gz MPBGHRDEQFEVKL-QGZVFWFLSA-N 2 0 346.519 2.412 10 0 EEAERP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416910866 313358161 /nfs/dbraw/zinc/35/81/61/313358161.db2.gz ZVBRHGXJGLLEPD-MRXNPFEDSA-N 2 0 332.492 2.470 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000417743844 313583121 /nfs/dbraw/zinc/58/31/21/313583121.db2.gz DIFHPFGIEPCLPB-UHFFFAOYSA-N 2 0 336.524 2.284 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418578228 313851547 /nfs/dbraw/zinc/85/15/47/313851547.db2.gz PSNYLRSUWDWELH-KURKYZTESA-N 2 0 336.524 2.282 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000444966898 315335415 /nfs/dbraw/zinc/33/54/15/315335415.db2.gz MCTWHYKXEVEKDZ-UHFFFAOYSA-N 2 0 336.524 2.282 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528717030 317458752 /nfs/dbraw/zinc/45/87/52/317458752.db2.gz XRPVWZLHCZLSNS-MRXNPFEDSA-N 2 0 332.448 2.117 10 0 EEAERP COc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000530249312 317704746 /nfs/dbraw/zinc/70/47/46/317704746.db2.gz VATHCTIWCLXCIY-KRWDZBQOSA-N 2 0 334.460 2.294 10 0 EEAERP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc2nccc(C)c12 ZINC000531357644 317788976 /nfs/dbraw/zinc/78/89/76/317788976.db2.gz OBLMMICGIVKJSY-UHFFFAOYSA-N 2 0 348.516 2.479 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCCC1 ZINC000544625886 318193148 /nfs/dbraw/zinc/19/31/48/318193148.db2.gz JFOXYJAPNWKYDL-KRWDZBQOSA-N 2 0 326.529 2.480 10 0 EEAERP [NH3+]C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1CCCCC1 ZINC000563093486 318971041 /nfs/dbraw/zinc/97/10/41/318971041.db2.gz SEIVDBYJWCKCOB-ZWKOTPCHSA-N 2 0 330.476 2.162 10 0 EEAERP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000563529985 319019917 /nfs/dbraw/zinc/01/99/17/319019917.db2.gz MOXBMCTWZOTWOS-SFHVURJKSA-N 2 0 339.395 2.066 10 0 EEAERP O=C(N[C@H]1C[NH2+]CCC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000565950491 319229619 /nfs/dbraw/zinc/22/96/19/319229619.db2.gz GJTBZWDVGQDYNJ-INIZCTEOSA-N 2 0 337.414 2.012 10 0 EEAERP [NH3+][C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000567030703 319341765 /nfs/dbraw/zinc/34/17/65/319341765.db2.gz UBTKOGAZFDXXPJ-XVLXNVKGSA-N 2 0 342.487 2.219 10 0 EEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000576224794 320152197 /nfs/dbraw/zinc/15/21/97/320152197.db2.gz CJWVGNKCCJXLJK-YJBOKZPZSA-N 2 0 332.492 2.375 10 0 EEAERP CNC(=O)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccc(F)cc1C ZINC000577611505 320265627 /nfs/dbraw/zinc/26/56/27/320265627.db2.gz CYQLVWQBGOLAAW-BFHRDPOASA-N 2 0 335.467 2.146 10 0 EEAERP CC(C)[NH2+]C1(CO)CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000577646533 320268191 /nfs/dbraw/zinc/26/81/91/320268191.db2.gz NKANIOWWRUHIMG-IBGZPJMESA-N 2 0 331.504 2.086 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cncnc3C)cn2)CC1 ZINC000578142514 320297340 /nfs/dbraw/zinc/29/73/40/320297340.db2.gz MYUBFIZBECRHSU-OAHLLOKOSA-N 2 0 340.475 2.173 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000579004052 323757353 /nfs/dbraw/zinc/75/73/53/323757353.db2.gz WWQCORHTGFTXAD-UHFFFAOYSA-N 2 0 345.487 2.185 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000580831263 324137399 /nfs/dbraw/zinc/13/73/99/324137399.db2.gz LGSKGCWBSDODHR-ICSRJNTNSA-N 2 0 337.467 2.163 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Cc1ccc(F)cc1C ZINC000580952203 324157846 /nfs/dbraw/zinc/15/78/46/324157846.db2.gz NRZICTZXMKIVMU-OWQGQXMQSA-N 2 0 335.467 2.017 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)CN1CCc2ccccc2C1 ZINC000581186404 324202431 /nfs/dbraw/zinc/20/24/31/324202431.db2.gz MOENEMNHPRBKPX-WOJBJXKFSA-N 2 0 344.499 2.487 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000581193468 324204423 /nfs/dbraw/zinc/20/44/23/324204423.db2.gz NKJPICUIMWSJCU-MRXNPFEDSA-N 2 0 325.387 2.297 10 0 EEAERP CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582482600 324462461 /nfs/dbraw/zinc/46/24/61/324462461.db2.gz LBUDOKJFYJOYMN-IRFCIJBXSA-N 2 0 345.531 2.144 10 0 EEAERP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341401312 465147403 /nfs/dbraw/zinc/14/74/03/465147403.db2.gz ZIVQRHNUGUJFET-UHFFFAOYSA-N 2 0 337.489 2.048 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000351601561 465246875 /nfs/dbraw/zinc/24/68/75/465246875.db2.gz ISSFFCFYVFHILK-SFHVURJKSA-N 2 0 345.487 2.214 10 0 EEAERP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[NH+]1CCCCC1 ZINC000153436694 462649579 /nfs/dbraw/zinc/64/95/79/462649579.db2.gz DMAOKLFBASOLAY-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1oc(-c2ccco2)nc1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000075602872 462737778 /nfs/dbraw/zinc/73/77/78/462737778.db2.gz AVFVAYBGHIVQOI-ZDUSSCGKSA-N 2 0 333.432 2.425 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000552238970 468319512 /nfs/dbraw/zinc/31/95/12/468319512.db2.gz XIMAYQWWGXSBIJ-QHAWAJNXSA-N 2 0 342.531 2.271 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000123173010 463322311 /nfs/dbraw/zinc/32/23/11/463322311.db2.gz RCIRRZHYJVEISX-SJORKVTESA-N 2 0 326.529 2.240 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057798368 463519388 /nfs/dbraw/zinc/51/93/88/463519388.db2.gz LLKJFIFSVLRJAX-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125458541 463546674 /nfs/dbraw/zinc/54/66/74/463546674.db2.gz ZRSUVLGSZRTSFX-LPHOPBHVSA-N 2 0 336.476 2.067 10 0 EEAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000261715101 463836665 /nfs/dbraw/zinc/83/66/65/463836665.db2.gz QBWSQRCYARWLGV-KRWDZBQOSA-N 2 0 331.460 2.236 10 0 EEAERP OCC[N@@H+](Cc1cc(Br)cs1)CC1CC[NH2+]CC1 ZINC000261783520 463859298 /nfs/dbraw/zinc/85/92/98/463859298.db2.gz NYPCJTQVNXZPQW-UHFFFAOYSA-N 2 0 333.295 2.305 10 0 EEAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261890952 463889947 /nfs/dbraw/zinc/88/99/47/463889947.db2.gz QLZGVNPFWUTOEV-MRXNPFEDSA-N 2 0 345.487 2.043 10 0 EEAERP [NH3+][C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCOCC1 ZINC000262082304 463941615 /nfs/dbraw/zinc/94/16/15/463941615.db2.gz TXWWNEJULRYKJJ-KRWDZBQOSA-N 2 0 337.508 2.045 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000262311722 463999731 /nfs/dbraw/zinc/99/97/31/463999731.db2.gz BMQBIGUYOSLSMN-HOCLYGCPSA-N 2 0 333.451 2.294 10 0 EEAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292247501 464172648 /nfs/dbraw/zinc/17/26/48/464172648.db2.gz XLDLLUGVNKOXMG-HXUWFJFHSA-N 2 0 341.455 2.090 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000246393780 464579341 /nfs/dbraw/zinc/57/93/41/464579341.db2.gz RDKJUEKCERMAAU-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000246519809 464595370 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EEAERP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000569121762 468444523 /nfs/dbraw/zinc/44/45/23/468444523.db2.gz AYDRTDNYUYCOLT-RMRDIRSESA-N 2 0 346.519 2.432 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)C(C)C ZINC000340095022 465762965 /nfs/dbraw/zinc/76/29/65/465762965.db2.gz PGCDAYQUJPYCDV-ZWKOTPCHSA-N 2 0 332.492 2.461 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N2CCOCC2)o1 ZINC000353464930 465904233 /nfs/dbraw/zinc/90/42/33/465904233.db2.gz WCLUAJXHTYKJTB-MANSERQUSA-N 2 0 347.503 2.424 10 0 EEAERP COCCOC[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346231777 466013249 /nfs/dbraw/zinc/01/32/49/466013249.db2.gz YHQPMUVLRVICIV-MRXNPFEDSA-N 2 0 330.432 2.061 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367616001 466451917 /nfs/dbraw/zinc/45/19/17/466451917.db2.gz MTHXDRDIAHXFCT-QYZOEREBSA-N 2 0 325.460 2.289 10 0 EEAERP COCCO[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000338955306 466518739 /nfs/dbraw/zinc/51/87/39/466518739.db2.gz SJQFNWOCLYNSAV-GOSISDBHSA-N 2 0 330.432 2.203 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C2 ZINC000363943813 466664073 /nfs/dbraw/zinc/66/40/73/466664073.db2.gz FLYGVKQTKWKFPJ-NPYXIHBLSA-N 2 0 336.524 2.421 10 0 EEAERP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253464 472042336 /nfs/dbraw/zinc/04/23/36/472042336.db2.gz WCUSEHYAKBIWPZ-NSHDSACASA-N 2 0 331.279 2.463 10 0 EEAERP O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662252140 472042889 /nfs/dbraw/zinc/04/28/89/472042889.db2.gz MIJIXIOHLBDBAE-SFHVURJKSA-N 2 0 327.472 2.071 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417050909 466765415 /nfs/dbraw/zinc/76/54/15/466765415.db2.gz YILDMZHZGZLOJR-KFWWJZLASA-N 2 0 346.466 2.041 10 0 EEAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000417939727 466994813 /nfs/dbraw/zinc/99/48/13/466994813.db2.gz KWOZBASQBSWDPF-RBUKOAKNSA-N 2 0 344.503 2.463 10 0 EEAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418035792 467030627 /nfs/dbraw/zinc/03/06/27/467030627.db2.gz BDUGPKJPYHHYAO-KPFFTGBYSA-N 2 0 344.503 2.420 10 0 EEAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418333663 467094171 /nfs/dbraw/zinc/09/41/71/467094171.db2.gz FFVKPZCUYIYWPV-YTQUADARSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000418456283 467113870 /nfs/dbraw/zinc/11/38/70/467113870.db2.gz FKRUVMVBNUYXCM-RDTXWAMCSA-N 2 0 330.476 2.237 10 0 EEAERP CCN(C(=O)NCC1C[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418489054 467118283 /nfs/dbraw/zinc/11/82/83/467118283.db2.gz NPGPPGUGALUKJV-YJBOKZPZSA-N 2 0 330.476 2.073 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000378118698 467202870 /nfs/dbraw/zinc/20/28/70/467202870.db2.gz PUJGWWURFZTBBH-HNNXBMFYSA-N 2 0 344.463 2.187 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451353311 467253007 /nfs/dbraw/zinc/25/30/07/467253007.db2.gz NVBFLTOBQIYROR-ZCNNSNEGSA-N 2 0 337.552 2.418 10 0 EEAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414298917 467399663 /nfs/dbraw/zinc/39/96/63/467399663.db2.gz HOCWCJCAXHRFQU-SFHVURJKSA-N 2 0 342.487 2.488 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414750045 467434428 /nfs/dbraw/zinc/43/44/28/467434428.db2.gz XGCKXQQSGNYBHJ-QLFBSQMISA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000453266888 467473284 /nfs/dbraw/zinc/47/32/84/467473284.db2.gz XTJDANJWPUEQMQ-HLAWJBBLSA-N 2 0 345.531 2.333 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529283767 467839278 /nfs/dbraw/zinc/83/92/78/467839278.db2.gz ROMSOHNRVWGBQI-GDBMZVCRSA-N 2 0 332.448 2.000 10 0 EEAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000529291028 467839866 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EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000557191608 468619562 /nfs/dbraw/zinc/61/95/62/468619562.db2.gz NAFVJJIMEZNXFG-HNNXBMFYSA-N 2 0 344.450 2.080 10 0 EEAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000594939824 468727264 /nfs/dbraw/zinc/72/72/64/468727264.db2.gz FMDXDTYCOQKKIS-ZOCIIQOWSA-N 2 0 346.471 2.447 10 0 EEAERP COC(=O)c1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000599335928 469215511 /nfs/dbraw/zinc/21/55/11/469215511.db2.gz FYTPHCAOKRKDIZ-UHFFFAOYSA-N 2 0 346.475 2.351 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCCCC1 ZINC000625944181 469444655 /nfs/dbraw/zinc/44/46/55/469444655.db2.gz OWBQFJHMKQRAJD-OAHLLOKOSA-N 2 0 346.475 2.412 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629538089 469574924 /nfs/dbraw/zinc/57/49/24/469574924.db2.gz MBNUVRWSLWDRDO-SLFFLAALSA-N 3 0 331.504 2.242 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000606703929 469634033 /nfs/dbraw/zinc/63/40/33/469634033.db2.gz JGGZYWNYJGALMB-GOSISDBHSA-N 2 0 336.524 2.234 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)CC1(C)C ZINC000623406042 469645894 /nfs/dbraw/zinc/64/58/94/469645894.db2.gz HXTZNTVJVBSIBC-OLZOCXBDSA-N 2 0 328.403 2.167 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623421243 469651120 /nfs/dbraw/zinc/65/11/20/469651120.db2.gz CXULOMVKNKWWEQ-PZJWPPBQSA-N 2 0 345.531 2.476 10 0 EEAERP COc1ccccc1N1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445424 469658588 /nfs/dbraw/zinc/65/85/88/469658588.db2.gz QVEWCZSCLGOFKK-GJZGRUSLSA-N 2 0 331.460 2.263 10 0 EEAERP COc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OC1CC1 ZINC000623514427 469680669 /nfs/dbraw/zinc/68/06/69/469680669.db2.gz NEOPSNUQNYAWFG-UHFFFAOYSA-N 2 0 347.503 2.352 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574716 469699153 /nfs/dbraw/zinc/69/91/53/469699153.db2.gz VNNDLLPUWKXWKY-PMACEKPBSA-N 2 0 344.547 2.265 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000617556013 469726538 /nfs/dbraw/zinc/72/65/38/469726538.db2.gz HXIKDBWMBSKPMV-OALUTQOASA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[NH2+]1 ZINC000626934704 469760825 /nfs/dbraw/zinc/76/08/25/469760825.db2.gz LTDOXEQTFLBSPB-NXHRZFHOSA-N 2 0 330.476 2.263 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626936671 469761687 /nfs/dbraw/zinc/76/16/87/469761687.db2.gz KWJJRMXSFBWFSE-QRQLOZEOSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCCCO1 ZINC000623868955 469784129 /nfs/dbraw/zinc/78/41/29/469784129.db2.gz LVKORAIDSUVIAV-PXNSSMCTSA-N 2 0 331.504 2.481 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627001613 469785364 /nfs/dbraw/zinc/78/53/64/469785364.db2.gz JUAUGHJYRFIVFK-RKVPGOIHSA-N 2 0 345.491 2.047 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[NH2+]1 ZINC000627083518 469808739 /nfs/dbraw/zinc/80/87/39/469808739.db2.gz UMONGGVHOYZFQI-XWIAVFTESA-N 2 0 326.444 2.279 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC000627195885 469840286 /nfs/dbraw/zinc/84/02/86/469840286.db2.gz FQFFWEIXQJFXEZ-SQNIBIBYSA-N 2 0 336.524 2.280 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631769820 470182378 /nfs/dbraw/zinc/18/23/78/470182378.db2.gz PPVPQMYUJFHJGO-WZGPROSRSA-N 2 0 329.488 2.496 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000632896977 470284155 /nfs/dbraw/zinc/28/41/55/470284155.db2.gz FZCRZSWGIYLPMZ-HNNXBMFYSA-N 2 0 334.464 2.362 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCC[C@@H]4CCO4)CC3)C2)cc1 ZINC000639162606 470415756 /nfs/dbraw/zinc/41/57/56/470415756.db2.gz UBMCVBBJPXSICB-NHCUHLMSSA-N 2 0 343.515 2.448 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)CC[N@@H+]1C ZINC000633419424 470458995 /nfs/dbraw/zinc/45/89/95/470458995.db2.gz PLYWHRXHEDNERE-DOTOQJQBSA-N 2 0 349.475 2.304 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000647179890 470850560 /nfs/dbraw/zinc/85/05/60/470850560.db2.gz UXCKALZBHYKBCQ-QGZVFWFLSA-N 2 0 341.503 2.154 10 0 EEAERP Cn1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccncc2)n1 ZINC000647480618 470911532 /nfs/dbraw/zinc/91/15/32/470911532.db2.gz VHMQMXPZVVGKRO-SJLPKXTDSA-N 2 0 325.460 2.446 10 0 EEAERP COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899421 471010403 /nfs/dbraw/zinc/01/04/03/471010403.db2.gz JTDBNIMQQPDRJA-MJGOQNOKSA-N 2 0 345.487 2.118 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657346994 471107654 /nfs/dbraw/zinc/10/76/54/471107654.db2.gz KRNBHUKLEZWPLU-INIZCTEOSA-N 2 0 333.524 2.051 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000657572840 471173064 /nfs/dbraw/zinc/17/30/64/471173064.db2.gz HUWIVWAFNYOTLV-KRWDZBQOSA-N 2 0 329.492 2.234 10 0 EEAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135482 471269760 /nfs/dbraw/zinc/26/97/60/471269760.db2.gz DYSPQUARSNHVNN-HKUYNNGSSA-N 2 0 340.471 2.154 10 0 EEAERP CCC[NH+]1CCC(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000658140955 471270529 /nfs/dbraw/zinc/27/05/29/471270529.db2.gz AWWZYSGRINSPKN-HXUWFJFHSA-N 2 0 331.504 2.217 10 0 EEAERP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360434 471279621 /nfs/dbraw/zinc/27/96/21/471279621.db2.gz HMUVLEANFOTCPI-KFKAGJAMSA-N 2 0 334.460 2.435 10 0 EEAERP CCN(C(=O)NCCCn1c(C)nc2ccccc21)[C@@H]1CC[N@H+](C)C1 ZINC000663457129 471387394 /nfs/dbraw/zinc/38/73/94/471387394.db2.gz HGNASZGILOALCB-MRXNPFEDSA-N 2 0 343.475 2.470 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(SC)cc2)CC1 ZINC000663502976 471402730 /nfs/dbraw/zinc/40/27/30/471402730.db2.gz KJQGWEJNCFSJFK-UHFFFAOYSA-N 2 0 335.517 2.489 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000661043352 471601046 /nfs/dbraw/zinc/60/10/46/471601046.db2.gz ADDNHLXVEOLCOR-FQEVSTJZSA-N 2 0 344.503 2.244 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000659435676 471626444 /nfs/dbraw/zinc/62/64/44/471626444.db2.gz ZJSUJVQMLRRMIU-YESZJQIVSA-N 2 0 326.529 2.417 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000659482707 471650287 /nfs/dbraw/zinc/65/02/87/471650287.db2.gz PUNGMXQWTXWQQT-NXHRZFHOSA-N 2 0 332.492 2.180 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659583513 471688090 /nfs/dbraw/zinc/68/80/90/471688090.db2.gz SGJAKXHGSAJFCK-IPMKNSEASA-N 2 0 344.503 2.304 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000661404870 471745873 /nfs/dbraw/zinc/74/58/73/471745873.db2.gz AOFZMZIXGYWZSU-ZWKOTPCHSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661520423 471788504 /nfs/dbraw/zinc/78/85/04/471788504.db2.gz HZNSONYITXXCQX-IFXJQAMLSA-N 2 0 327.472 2.047 10 0 EEAERP CC(C[NH+]1CCC[C@](O)(C2CC2)C1)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661627984 471832516 /nfs/dbraw/zinc/83/25/16/471832516.db2.gz SHKDKFVUEMHAOS-WOJBJXKFSA-N 2 0 336.520 2.096 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)n1ccc(C)n1 ZINC000667811677 471916821 /nfs/dbraw/zinc/91/68/21/471916821.db2.gz SBZXHPCSYTWJGY-ROUUACIJSA-N 2 0 349.523 2.017 10 0 EEAERP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000654407068 471946842 /nfs/dbraw/zinc/94/68/42/471946842.db2.gz ARHORTIXXDETIE-JQHSSLGASA-N 2 0 332.492 2.237 10 0 EEAERP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030464 471963106 /nfs/dbraw/zinc/96/31/06/471963106.db2.gz FQVALEUJGFOQCX-BMFZPTHFSA-N 2 0 340.427 2.372 10 0 EEAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668012680 471977955 /nfs/dbraw/zinc/97/79/55/471977955.db2.gz HZACQIGMPJAVMV-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000665285688 471990125 /nfs/dbraw/zinc/99/01/25/471990125.db2.gz UGAJAOPUHRSEFS-UHFFFAOYSA-N 2 0 333.520 2.391 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000665285799 471990414 /nfs/dbraw/zinc/99/04/14/471990414.db2.gz XBGOBHDHEIEZAW-HNNXBMFYSA-N 2 0 333.476 2.336 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662452897 472113731 /nfs/dbraw/zinc/11/37/31/472113731.db2.gz QKKPSWMQRMGNEU-ZIAGYGMSSA-N 2 0 334.464 2.134 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662464446 472117414 /nfs/dbraw/zinc/11/74/14/472117414.db2.gz PUAIFYJJGGCJET-INIZCTEOSA-N 2 0 347.507 2.071 10 0 EEAERP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687543 472207694 /nfs/dbraw/zinc/20/76/94/472207694.db2.gz ZYVVAOLHMYTKOY-QZTJIDSGSA-N 2 0 325.412 2.294 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662884702 472291027 /nfs/dbraw/zinc/29/10/27/472291027.db2.gz OSLOJHWPNFUVAJ-GOSISDBHSA-N 2 0 325.412 2.101 10 0 EEAERP CSc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000583094873 485579977 /nfs/dbraw/zinc/57/99/77/485579977.db2.gz XRAQKNMIPDEOKK-PBHICJAKSA-N 2 0 335.517 2.469 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C1 ZINC000628337832 485714313 /nfs/dbraw/zinc/71/43/13/485714313.db2.gz SLAHFYSAZCYPEU-IBGZPJMESA-N 2 0 348.450 2.486 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000673206948 486294934 /nfs/dbraw/zinc/29/49/34/486294934.db2.gz HZSBFBOKEIGSQM-LSDHHAIUSA-N 2 0 346.466 2.232 10 0 EEAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000678341305 486620191 /nfs/dbraw/zinc/62/01/91/486620191.db2.gz DIWBAVITTMXCRI-AQNXPRMDSA-N 2 0 348.487 2.395 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@@H]2O)[C@H](C)C1 ZINC000178356377 528670362 /nfs/dbraw/zinc/67/03/62/528670362.db2.gz XBRBUBAHJXXHPK-NMLACTOBSA-N 2 0 332.488 2.371 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC3(CCC(O)CC3)CC2)CC1 ZINC000451151094 535199802 /nfs/dbraw/zinc/19/98/02/535199802.db2.gz ACNKDMMWMOFZNA-UHFFFAOYSA-N 2 0 337.552 2.420 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451353308 535200194 /nfs/dbraw/zinc/20/01/94/535200194.db2.gz NVBFLTOBQIYROR-AQNXPRMDSA-N 2 0 337.552 2.418 10 0 EEAERP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)n1 ZINC000733155854 577205560 /nfs/dbraw/zinc/20/55/60/577205560.db2.gz FBIRWYYPZGQIMA-UHFFFAOYSA-N 2 0 340.899 2.389 10 0 EEAERP COc1ccc(CC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000750289955 577989904 /nfs/dbraw/zinc/98/99/04/577989904.db2.gz ODQIKYSGSYRQIZ-LJQANCHMSA-N 2 0 332.488 2.406 10 0 EEAERP O=S1(=O)CCC[C@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000895708015 684690029 /nfs/dbraw/zinc/69/00/29/684690029.db2.gz YHDLDWSGFVPZPF-DLBZAZTESA-N 2 0 333.457 2.181 10 0 EEAERP CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000872036185 688532643 /nfs/dbraw/zinc/53/26/43/688532643.db2.gz SRPPKJNDLGVHPU-GJZGRUSLSA-N 2 0 337.430 2.104 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[N@@H+]1C ZINC000925324585 692205531 /nfs/dbraw/zinc/20/55/31/692205531.db2.gz VRECROVXZIXYOD-FGTMMUONSA-N 2 0 336.524 2.377 10 0 EEAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924690127 693168190 /nfs/dbraw/zinc/16/81/90/693168190.db2.gz NUJYTCUHFKDHSH-PKOBYXMFSA-N 2 0 334.508 2.253 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]21)C1CCC1 ZINC001485603540 1191857180 /nfs/dbraw/zinc/85/71/80/1191857180.db2.gz GUZFWEMBYSYZGU-LDLYASANSA-N 2 0 345.531 2.345 10 0 EEAERP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]3C2)cc1C ZINC001485614651 1191862981 /nfs/dbraw/zinc/86/29/81/1191862981.db2.gz POUFZOHCQYRYQR-OWZKRDHZSA-N 2 0 343.515 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC001485664661 1191885104 /nfs/dbraw/zinc/88/51/04/1191885104.db2.gz JXZYMRKCBIJDPS-UHFFFAOYSA-N 2 0 329.488 2.105 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001485657800 1191891819 /nfs/dbraw/zinc/89/18/19/1191891819.db2.gz NULZSNPGBOQGCS-CEXWTWQISA-N 2 0 344.503 2.139 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001485696362 1191902979 /nfs/dbraw/zinc/90/29/79/1191902979.db2.gz WEIOFKSRLRUPDK-HAQNSBGRSA-N 2 0 329.897 2.338 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001266706317 1177235671 /nfs/dbraw/zinc/23/56/71/1177235671.db2.gz KVDZIGZATMDUNJ-FUHWJXTLSA-N 2 0 335.467 2.147 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)n1 ZINC001266741103 1177333148 /nfs/dbraw/zinc/33/31/48/1177333148.db2.gz KDYSEDIPZKQZGE-CABCVRRESA-N 2 0 336.505 2.016 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001266790688 1177432761 /nfs/dbraw/zinc/43/27/61/1177432761.db2.gz MACFUXIDSVZPFN-CYBMUJFWSA-N 2 0 327.469 2.221 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC001266865638 1177619570 /nfs/dbraw/zinc/61/95/70/1177619570.db2.gz YHCATUNOWZLVEW-RDJZCZTQSA-N 2 0 335.517 2.356 10 0 EEAERP Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001707904727 1177620454 /nfs/dbraw/zinc/62/04/54/1177620454.db2.gz IVYNMCWHBFEMNN-UHFFFAOYSA-N 2 0 346.523 2.159 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001266876628 1177688161 /nfs/dbraw/zinc/68/81/61/1177688161.db2.gz CREWNESGPZCSCK-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001266879564 1177692135 /nfs/dbraw/zinc/69/21/35/1177692135.db2.gz AEPROTOQONXRPR-QGZVFWFLSA-N 2 0 327.488 2.437 10 0 EEAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691386315 1177992676 /nfs/dbraw/zinc/99/26/76/1177992676.db2.gz SJXHYVJBCKUYFY-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)C1 ZINC001267024733 1178111389 /nfs/dbraw/zinc/11/13/89/1178111389.db2.gz PEVWOJAOFQJBSO-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001267040888 1178135884 /nfs/dbraw/zinc/13/58/84/1178135884.db2.gz IALVKGTWURPMFM-HKUYNNGSSA-N 2 0 333.520 2.347 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001267068143 1178183709 /nfs/dbraw/zinc/18/37/09/1178183709.db2.gz DEBQRHXCNGTDGI-ROUUACIJSA-N 2 0 347.478 2.148 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CC[NH2+]CCC3CC3)cc2)C1 ZINC001267098122 1178235160 /nfs/dbraw/zinc/23/51/60/1178235160.db2.gz DVZNJOFHRXAOOL-LJQANCHMSA-N 2 0 329.488 2.187 10 0 EEAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](C)C ZINC001267180237 1178437328 /nfs/dbraw/zinc/43/73/28/1178437328.db2.gz XQJZOFLGRGTJOD-IAGOWNOFSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)O1 ZINC001267409010 1178981816 /nfs/dbraw/zinc/98/18/16/1178981816.db2.gz OXRLIVIKLKQYLL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC001267474599 1179107620 /nfs/dbraw/zinc/10/76/20/1179107620.db2.gz VFBWDMZSOBESRZ-CHWSQXEVSA-N 2 0 338.521 2.181 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CC(F)(F)C1 ZINC001267514887 1179233432 /nfs/dbraw/zinc/23/34/32/1179233432.db2.gz TZKKPQBSACOUEY-UHFFFAOYSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)cc1F ZINC001481070202 1179679037 /nfs/dbraw/zinc/67/90/37/1179679037.db2.gz FNALFFFQCJVSGI-QGZVFWFLSA-N 2 0 333.451 2.311 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001267873179 1180664007 /nfs/dbraw/zinc/66/40/07/1180664007.db2.gz HKUZZYNWEHMXIU-MAUKXSAKSA-N 2 0 327.488 2.343 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001267908449 1180744415 /nfs/dbraw/zinc/74/44/15/1180744415.db2.gz DZEIAVUKGCHFHV-ZWKOTPCHSA-N 2 0 339.499 2.295 10 0 EEAERP Cc1oncc1C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267909668 1180746709 /nfs/dbraw/zinc/74/67/09/1180746709.db2.gz YABXIIZQHDGRLF-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267960684 1180847598 /nfs/dbraw/zinc/84/75/98/1180847598.db2.gz JLVYBCJGYXCSFL-GOEBONIOSA-N 2 0 345.422 2.210 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001481380092 1181163633 /nfs/dbraw/zinc/16/36/33/1181163633.db2.gz DPBQBMJOJZIEGM-BBWFWOEESA-N 2 0 325.472 2.142 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481452739 1181390902 /nfs/dbraw/zinc/39/09/02/1181390902.db2.gz XCXBKXDXXONLSK-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001481507649 1181592002 /nfs/dbraw/zinc/59/20/02/1181592002.db2.gz CZCHOXQGYQJTCY-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001268121838 1181768384 /nfs/dbraw/zinc/76/83/84/1181768384.db2.gz XUKXMRCGXAENQC-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001268138748 1181797812 /nfs/dbraw/zinc/79/78/12/1181797812.db2.gz CROCPYPYAJICMG-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001481644290 1182043081 /nfs/dbraw/zinc/04/30/81/1182043081.db2.gz FMCYFAMKZROKSS-GOEBONIOSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001691500045 1182056389 /nfs/dbraw/zinc/05/63/89/1182056389.db2.gz IMEBCBUKFJPGKN-QGZVFWFLSA-N 2 0 336.480 2.102 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001268288308 1182171110 /nfs/dbraw/zinc/17/11/10/1182171110.db2.gz RAKBAMDWEFVEJD-LSDHHAIUSA-N 2 0 338.883 2.061 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001481708317 1182270075 /nfs/dbraw/zinc/27/00/75/1182270075.db2.gz ALBMZNHMYFRXMT-GOSISDBHSA-N 2 0 346.519 2.175 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369199 1182356213 /nfs/dbraw/zinc/35/62/13/1182356213.db2.gz SLBOBJMINFJUJG-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)no1 ZINC001268378401 1182398135 /nfs/dbraw/zinc/39/81/35/1182398135.db2.gz WCDIBWQZLNNYMF-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001268404809 1182514691 /nfs/dbraw/zinc/51/46/91/1182514691.db2.gz WPUOSBOMGAQEGF-SJORKVTESA-N 2 0 347.507 2.032 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001268413873 1182566336 /nfs/dbraw/zinc/56/63/36/1182566336.db2.gz IUWPUJNRSDCKAS-KXBFYZLASA-N 2 0 331.504 2.500 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001268414030 1182566573 /nfs/dbraw/zinc/56/65/73/1182566573.db2.gz PWSSWYCEWABVHJ-MLGOLLRUSA-N 2 0 341.883 2.370 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001268425191 1182597471 /nfs/dbraw/zinc/59/74/71/1182597471.db2.gz ZLXOCOWRSQRGND-APWZRJJASA-N 2 0 331.504 2.228 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001481773871 1182684359 /nfs/dbraw/zinc/68/43/59/1182684359.db2.gz FBJZTCAZHZORRV-LSDHHAIUSA-N 2 0 331.451 2.296 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001481867438 1182837849 /nfs/dbraw/zinc/83/78/49/1182837849.db2.gz CFJLEAZJIHBUDD-GJZGRUSLSA-N 2 0 343.462 2.392 10 0 EEAERP CCN(CC[NH2+]CCOc1cccc(C)c1)C(=O)C1CC[NH+](C)CC1 ZINC001268475867 1182881837 /nfs/dbraw/zinc/88/18/37/1182881837.db2.gz MVKGGVDGZLZGIZ-UHFFFAOYSA-N 2 0 347.503 2.154 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cccc(F)c1F)[C@H]1C[NH+]2CCC1CC2 ZINC001268538500 1183199858 /nfs/dbraw/zinc/19/98/58/1183199858.db2.gz KMWQIVVIGBFHHZ-AIMAZDRCSA-N 2 0 349.425 2.069 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001268588585 1183390054 /nfs/dbraw/zinc/39/00/54/1183390054.db2.gz SUSFGFMYPYOLGK-NSCUHMNNSA-N 2 0 341.499 2.279 10 0 EEAERP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001268761446 1183681856 /nfs/dbraw/zinc/68/18/56/1183681856.db2.gz BLPGLSDRIZZYOS-HOTGVXAUSA-N 2 0 325.472 2.239 10 0 EEAERP CN(CCC[NH2+]CC1CCC2(CC2)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001268915897 1183825020 /nfs/dbraw/zinc/82/50/20/1183825020.db2.gz RVNJRLCABAITOM-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP CCOCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001269714475 1184546365 /nfs/dbraw/zinc/54/63/65/1184546365.db2.gz XXHVMDBFNKXOTD-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001269745740 1184584701 /nfs/dbraw/zinc/58/47/01/1184584701.db2.gz STLWWWGOBFWMPZ-GOSISDBHSA-N 2 0 325.472 2.146 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ncc(C)o2)C1 ZINC001269785439 1184622986 /nfs/dbraw/zinc/62/29/86/1184622986.db2.gz MNUGXAUWJQVVHQ-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269798815 1184627983 /nfs/dbraw/zinc/62/79/83/1184627983.db2.gz OPSNMWPMKDHZOA-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC001270293478 1184993954 /nfs/dbraw/zinc/99/39/54/1184993954.db2.gz RPOGEIAADFLGDP-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2ncccc2C)CC[N@@H+]1C ZINC001482288680 1185095405 /nfs/dbraw/zinc/09/54/05/1185095405.db2.gz OPZWRVWOJIYHAE-XYJFISCASA-N 2 0 332.492 2.057 10 0 EEAERP COCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001271102001 1185886873 /nfs/dbraw/zinc/88/68/73/1185886873.db2.gz ONXNSIUXMCEFPQ-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482459494 1185920706 /nfs/dbraw/zinc/92/07/06/1185920706.db2.gz CKGKCRKGQBALIO-RBUKOAKNSA-N 2 0 344.503 2.203 10 0 EEAERP CN(CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccc(F)cn1 ZINC001482606564 1187360866 /nfs/dbraw/zinc/36/08/66/1187360866.db2.gz RZDGHNSDPUMAGA-ZWKOTPCHSA-N 2 0 348.466 2.128 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001670842303 1187432157 /nfs/dbraw/zinc/43/21/57/1187432157.db2.gz DCHIHIOKLBKDKP-QGZVFWFLSA-N 2 0 337.508 2.058 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272772230 1193490743 /nfs/dbraw/zinc/49/07/43/1193490743.db2.gz DJIDBSHMEGUBIT-RHSMWYFYSA-N 2 0 336.480 2.094 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272781763 1193495569 /nfs/dbraw/zinc/49/55/69/1193495569.db2.gz JFGDWFNAAKRKNH-MRXNPFEDSA-N 2 0 332.492 2.331 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272781840 1193495757 /nfs/dbraw/zinc/49/57/57/1193495757.db2.gz KNZGFIJIMFDXRX-RRFJBIMHSA-N 2 0 336.480 2.123 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc(C)s1 ZINC001482691454 1187665828 /nfs/dbraw/zinc/66/58/28/1187665828.db2.gz FMJMMQKZGFLECU-GDBMZVCRSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482871544 1187791289 /nfs/dbraw/zinc/79/12/89/1187791289.db2.gz PEIKJPJQQJPDEO-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001482903306 1187828805 /nfs/dbraw/zinc/82/88/05/1187828805.db2.gz ZHYRDDJZMNLUBY-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929941 1187850971 /nfs/dbraw/zinc/85/09/71/1187850971.db2.gz LXOFDXJXIBPNCF-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482970295 1187910765 /nfs/dbraw/zinc/91/07/65/1187910765.db2.gz RWHILRNPZKHENZ-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001671384914 1187912096 /nfs/dbraw/zinc/91/20/96/1187912096.db2.gz PPQVTXHFOYRTAQ-LJQANCHMSA-N 2 0 347.478 2.435 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001483022132 1188011405 /nfs/dbraw/zinc/01/14/05/1188011405.db2.gz RZGJOFFLIDRPOQ-FAAWYNLUSA-N 2 0 329.435 2.168 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001483051055 1188294611 /nfs/dbraw/zinc/29/46/11/1188294611.db2.gz PGTUQVHVKJWBED-HFZJXRFXSA-N 2 0 335.517 2.283 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1nc(C)c(C)s1 ZINC001691622872 1188322799 /nfs/dbraw/zinc/32/27/99/1188322799.db2.gz CBPQKNZIZQYQEA-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483067151 1188399427 /nfs/dbraw/zinc/39/94/27/1188399427.db2.gz AVJKGHBEHAFLOP-GDIRUBCPSA-N 2 0 342.487 2.169 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc3c(c2)COC3)CC[N@@H+]1C ZINC001483128606 1188607460 /nfs/dbraw/zinc/60/74/60/1188607460.db2.gz GQPJXPQYKMRITL-MDASCCDHSA-N 2 0 345.487 2.041 10 0 EEAERP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1(F)CC1 ZINC000843816495 1188619598 /nfs/dbraw/zinc/61/95/98/1188619598.db2.gz GMYZXLHOETVCAY-UHFFFAOYSA-N 2 0 325.472 2.143 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2cncn2C1 ZINC001272873133 1193587869 /nfs/dbraw/zinc/58/78/69/1193587869.db2.gz HEEJCIPKIPTSFW-AEFFLSMTSA-N 2 0 340.471 2.439 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001483184938 1189051570 /nfs/dbraw/zinc/05/15/70/1189051570.db2.gz XMSKWZCUODGMHF-HZPDHXFCSA-N 2 0 332.492 2.141 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1sccc1Cl ZINC001485855294 1193617441 /nfs/dbraw/zinc/61/74/41/1193617441.db2.gz KRTHRWSGKVTWBU-YPMHNXCESA-N 2 0 329.897 2.432 10 0 EEAERP C[C@@H](NC(=O)c1cnn(-c2ccncc2)c1)[C@H](C)[NH2+]C/C=C\Cl ZINC001409352724 1189563060 /nfs/dbraw/zinc/56/30/60/1189563060.db2.gz ACBKHGHLARBRIO-SRGUYAIJSA-N 2 0 333.823 2.116 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)ccc1C ZINC001409382103 1189605138 /nfs/dbraw/zinc/60/51/38/1189605138.db2.gz PKCMJJRYCMOUIN-JKSUJKDBSA-N 2 0 347.503 2.471 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001409398261 1189623536 /nfs/dbraw/zinc/62/35/36/1189623536.db2.gz MZGIJOTWHAZPQE-HZPDHXFCSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001409422216 1189653573 /nfs/dbraw/zinc/65/35/73/1189653573.db2.gz ORAVQVYSXKSUEO-LSDHHAIUSA-N 2 0 340.471 2.247 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001485895161 1193632658 /nfs/dbraw/zinc/63/26/58/1193632658.db2.gz YBAXBLUJLIRPEK-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001409654670 1190153362 /nfs/dbraw/zinc/15/33/62/1190153362.db2.gz UZNFVXCBYMIXMD-HZPDHXFCSA-N 2 0 345.487 2.289 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)CCC[NH+](C)C ZINC001486084620 1193676954 /nfs/dbraw/zinc/67/69/54/1193676954.db2.gz KXOLSFYBMAYZCB-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001486087994 1193678031 /nfs/dbraw/zinc/67/80/31/1193678031.db2.gz QBPFSEYGXJFSLD-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP CO[C@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001483474411 1190496083 /nfs/dbraw/zinc/49/60/83/1190496083.db2.gz KCCIDPAADYRNDM-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001483510021 1190524346 /nfs/dbraw/zinc/52/43/46/1190524346.db2.gz UDUNNVLCVPSCRV-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1C)C1CC1)[NH+](C)C ZINC001483599963 1190580069 /nfs/dbraw/zinc/58/00/69/1190580069.db2.gz AIGMAVHJZBUENB-ZWKOTPCHSA-N 2 0 335.467 2.459 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1scnc1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409844034 1190676045 /nfs/dbraw/zinc/67/60/45/1190676045.db2.gz OGCCXJUFNNYIPU-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001272343800 1190777674 /nfs/dbraw/zinc/77/76/74/1190777674.db2.gz OSDFQWYJORXENU-STQMWFEESA-N 2 0 334.291 2.276 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001272615655 1190930734 /nfs/dbraw/zinc/93/07/34/1190930734.db2.gz FZHJVVIQDSVUQG-GOSISDBHSA-N 2 0 341.499 2.419 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001483791670 1191031771 /nfs/dbraw/zinc/03/17/71/1191031771.db2.gz ZLYVVSRAGXBPJZ-AWEZNQCLSA-N 2 0 329.435 2.146 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001483925134 1191118463 /nfs/dbraw/zinc/11/84/63/1191118463.db2.gz OIXXXWFYHDWSQB-HKUYNNGSSA-N 2 0 345.487 2.049 10 0 EEAERP COCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)cc1 ZINC001483907399 1191119965 /nfs/dbraw/zinc/11/99/65/1191119965.db2.gz BATIBAMVZBRFHN-VQIMIIECSA-N 2 0 347.503 2.254 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001483951874 1191129554 /nfs/dbraw/zinc/12/95/54/1191129554.db2.gz MSDGOUXVASJZHJ-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484160947 1191249160 /nfs/dbraw/zinc/24/91/60/1191249160.db2.gz QNRWBASDKKYUAS-LJQANCHMSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001484382851 1191322836 /nfs/dbraw/zinc/32/28/36/1191322836.db2.gz MOQRZCPSRGZVOI-RDJZCZTQSA-N 2 0 335.467 2.352 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001484465804 1191370011 /nfs/dbraw/zinc/37/00/11/1191370011.db2.gz PXROCEBERMRREA-OALUTQOASA-N 2 0 344.503 2.379 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC001484535827 1191403646 /nfs/dbraw/zinc/40/36/46/1191403646.db2.gz LIOBGJQBEDHKEQ-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001484654732 1191457504 /nfs/dbraw/zinc/45/75/04/1191457504.db2.gz WBTOKWBDOMHWOC-IAGOWNOFSA-N 2 0 337.508 2.057 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001484726771 1191486355 /nfs/dbraw/zinc/48/63/55/1191486355.db2.gz RFXCMGUIVIZIGF-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001484765479 1191502727 /nfs/dbraw/zinc/50/27/27/1191502727.db2.gz HAEZUDSOGKJMGY-UHFFFAOYSA-N 2 0 333.520 2.443 10 0 EEAERP CN(CCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001484768292 1191522402 /nfs/dbraw/zinc/52/24/02/1191522402.db2.gz KFMOMNCUWHDPBU-OAHLLOKOSA-N 2 0 331.451 2.298 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158333 1191673615 /nfs/dbraw/zinc/67/36/15/1191673615.db2.gz ZFFCZDQWGDGXOC-OLZOCXBDSA-N 2 0 339.430 2.432 10 0 EEAERP Cc1ncccc1C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001485242139 1191706663 /nfs/dbraw/zinc/70/66/63/1191706663.db2.gz WBSBJORDWFVWRX-UHFFFAOYSA-N 2 0 332.492 2.201 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001485243324 1191706946 /nfs/dbraw/zinc/70/69/46/1191706946.db2.gz NMKNCBZUBHLFNM-DAWZGUTISA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001485243168 1191707079 /nfs/dbraw/zinc/70/70/79/1191707079.db2.gz HUQYDDCOAKMDAY-UHFFFAOYSA-N 2 0 336.480 2.182 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001485343310 1191747094 /nfs/dbraw/zinc/74/70/94/1191747094.db2.gz BHMRPVDFGUTVQT-MAUKXSAKSA-N 2 0 329.488 2.452 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)CC1 ZINC001485455265 1191791521 /nfs/dbraw/zinc/79/15/21/1191791521.db2.gz UITSOZLQSGALDH-UHFFFAOYSA-N 2 0 344.503 2.332 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCCC2)C1 ZINC001485456289 1191792081 /nfs/dbraw/zinc/79/20/81/1191792081.db2.gz OSLXOJWIQGCFAN-BOSPYUDASA-N 2 0 327.900 2.489 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001486180907 1193718049 /nfs/dbraw/zinc/71/80/49/1193718049.db2.gz KXADJAGOMDHIGD-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+](C)C)CC2(C)C)o1 ZINC001486246482 1193773183 /nfs/dbraw/zinc/77/31/83/1193773183.db2.gz LPZYYBJFAOZDRZ-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC[C@@H]1CCCCO1)C(C)(C)C ZINC001486423022 1193937160 /nfs/dbraw/zinc/93/71/60/1193937160.db2.gz DTYRQPOZTGTPQZ-IRXDYDNUSA-N 2 0 341.540 2.406 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@H]1CCCCO1)C(C)(C)C ZINC001486425382 1193939472 /nfs/dbraw/zinc/93/94/72/1193939472.db2.gz ZGLKQGDWSUWKSD-HZPDHXFCSA-N 2 0 327.513 2.016 10 0 EEAERP Cc1cncc(C[NH+]2CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001486448736 1193963037 /nfs/dbraw/zinc/96/30/37/1193963037.db2.gz ZTIPNQVXQUERQX-KRWDZBQOSA-N 2 0 346.519 2.449 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001486474509 1193988186 /nfs/dbraw/zinc/98/81/86/1193988186.db2.gz FMHMMUTWUVKPIJ-CTWPCTMYSA-N 2 0 347.478 2.432 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCC2CC2)cc1F)C12CC[NH+](CC1)C2 ZINC001486525497 1194048304 /nfs/dbraw/zinc/04/83/04/1194048304.db2.gz MNMPSPFXXZZFKR-UHFFFAOYSA-N 2 0 345.462 2.427 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001691671576 1195434940 /nfs/dbraw/zinc/43/49/40/1195434940.db2.gz JVHVFKGHXNUSRV-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@]12CN(C(=O)c3ccc(C[NH3+])o3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702042662 1195709438 /nfs/dbraw/zinc/70/94/38/1195709438.db2.gz IHWRDBIKQCJLEZ-OXJNMPFZSA-N 2 0 339.439 2.332 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(COC)c2)C1)[NH+](C)C ZINC001409973741 1195942388 /nfs/dbraw/zinc/94/23/88/1195942388.db2.gz WJLUTRJHUUBEEC-DNVCBOLYSA-N 2 0 347.503 2.110 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC001410111591 1197553429 /nfs/dbraw/zinc/55/34/29/1197553429.db2.gz COWJOVNWNCETAP-OSYLJGHBSA-N 2 0 335.879 2.086 10 0 EEAERP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410167712 1197578268 /nfs/dbraw/zinc/57/82/68/1197578268.db2.gz SQSJRCAKMBCOFM-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001410170554 1197580006 /nfs/dbraw/zinc/58/00/06/1197580006.db2.gz NOBHSFVOTMAFFH-JKSUJKDBSA-N 2 0 345.478 2.339 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/c1ccccc1 ZINC001410374057 1197767960 /nfs/dbraw/zinc/76/79/60/1197767960.db2.gz HDPSEFWSKBNRBJ-JWLNDWNSSA-N 2 0 341.499 2.478 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1F ZINC001410475914 1198020329 /nfs/dbraw/zinc/02/03/29/1198020329.db2.gz LWCKGSXQUXDMNT-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+]1CCC(NC(=S)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865265105 1198147050 /nfs/dbraw/zinc/14/70/50/1198147050.db2.gz FPGWCEYHBDDIJO-QGZVFWFLSA-N 2 0 338.565 2.342 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CC[C@@H]1CCCO1)CC2)C1CCC1 ZINC001410885936 1198539789 /nfs/dbraw/zinc/53/97/89/1198539789.db2.gz CHRLZNAHWUNFRK-BJLQDIEVSA-N 2 0 349.519 2.153 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410904835 1198563166 /nfs/dbraw/zinc/56/31/66/1198563166.db2.gz LQQLUKDTCDHQSW-QUCCMNQESA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001410909408 1198575736 /nfs/dbraw/zinc/57/57/36/1198575736.db2.gz NJJLMDAALUSQPF-ICSRJNTNSA-N 2 0 344.503 2.343 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)C1([NH+](C)C)CCC1 ZINC001273421400 1198777266 /nfs/dbraw/zinc/77/72/66/1198777266.db2.gz UVWPVMSBGLBAOZ-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c(C)c2)CC1 ZINC000870859336 1200916474 /nfs/dbraw/zinc/91/64/74/1200916474.db2.gz GKSWDLLBGAFXQY-GUXCAODWSA-N 2 0 342.487 2.203 10 0 EEAERP CC1(C)[C@H](O)CC[NH+]1Cc1ccccc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000812865622 1200974003 /nfs/dbraw/zinc/97/40/03/1200974003.db2.gz QKFYSNNJBFKTIK-HDICACEKSA-N 2 0 332.488 2.377 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2nc3ccccc3s2)C[C@H]1C[NH+](C)C ZINC000866042334 1201412009 /nfs/dbraw/zinc/41/20/09/1201412009.db2.gz XIIFWYUZMACQDA-ZIAGYGMSSA-N 2 0 346.500 2.108 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)cn2)CC1 ZINC000866225898 1201470098 /nfs/dbraw/zinc/47/00/98/1201470098.db2.gz GTFIWEAFVQPJFI-QUCCMNQESA-N 2 0 344.503 2.271 10 0 EEAERP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000867978624 1201718869 /nfs/dbraw/zinc/71/88/69/1201718869.db2.gz QHRNZRXEJBKZQV-KGLIPLIRSA-N 2 0 340.265 2.083 10 0 EEAERP Cc1ccc(NC(=O)N2C3CCC2(C[NH3+])CC3)c(OCC[NH+](C)C)c1 ZINC000868125210 1201748181 /nfs/dbraw/zinc/74/81/81/1201748181.db2.gz GDZBQZCTPLYZKO-UHFFFAOYSA-N 2 0 346.475 2.423 10 0 EEAERP CC[NH+]1CCC(CNC(=O)NC[C@H]2c3ccccc3CN2C)CC1 ZINC000868365264 1201799543 /nfs/dbraw/zinc/79/95/43/1201799543.db2.gz YKOVTXHOWKURSV-SFHVURJKSA-N 2 0 330.476 2.204 10 0 EEAERP C[NH+]1CCC(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000882393458 1201865003 /nfs/dbraw/zinc/86/50/03/1201865003.db2.gz YVBAMGFVXBDDJH-IBGZPJMESA-N 2 0 342.487 2.251 10 0 EEAERP CC[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000882393750 1201865444 /nfs/dbraw/zinc/86/54/44/1201865444.db2.gz GEQVHNLXEOTMPN-QZTJIDSGSA-N 2 0 330.476 2.250 10 0 EEAERP Cc1cncn1CC(=O)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1 ZINC001274203174 1204457986 /nfs/dbraw/zinc/45/79/86/1204457986.db2.gz VUDVEZMYJMAYDX-NSCUHMNNSA-N 2 0 349.438 2.202 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480082 1205378722 /nfs/dbraw/zinc/37/87/22/1205378722.db2.gz FRGOGWTYNJQYGO-OLZOCXBDSA-N 2 0 338.883 2.060 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)N(C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001275976849 1205614037 /nfs/dbraw/zinc/61/40/37/1205614037.db2.gz JQYWQTUKLLLMLS-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC001412498841 1205741579 /nfs/dbraw/zinc/74/15/79/1205741579.db2.gz DHCXNKZPXMEMMX-KBAYOESNSA-N 2 0 347.503 2.077 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1nc(C)sc1C)[NH+](C)C ZINC001276232852 1205846171 /nfs/dbraw/zinc/84/61/71/1205846171.db2.gz QYTBDIJNSZVQOK-HNNXBMFYSA-N 2 0 326.510 2.038 10 0 EEAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924628906 1206006372 /nfs/dbraw/zinc/00/63/72/1206006372.db2.gz XPWPAPLOTNPBMQ-PKOBYXMFSA-N 2 0 334.508 2.253 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C(C)(C)CO ZINC000924643757 1206009269 /nfs/dbraw/zinc/00/92/69/1206009269.db2.gz PHQLDLPMJCOGFE-HKUYNNGSSA-N 2 0 333.520 2.362 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000924654220 1206012167 /nfs/dbraw/zinc/01/21/67/1206012167.db2.gz GXDBQPXLXBOCCV-SFHVURJKSA-N 2 0 345.491 2.308 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)ccn2)CC1 ZINC000924687917 1206018441 /nfs/dbraw/zinc/01/84/41/1206018441.db2.gz CZVBRQGDFGMZQB-ICSRJNTNSA-N 2 0 344.503 2.128 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000924704345 1206021168 /nfs/dbraw/zinc/02/11/68/1206021168.db2.gz NAGUWQSYVWUBEW-SFHVURJKSA-N 2 0 334.460 2.055 10 0 EEAERP C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cnn(C2CCC2)c1 ZINC000925020871 1206061860 /nfs/dbraw/zinc/06/18/60/1206061860.db2.gz SHGVSEQRVQUUBM-HNNXBMFYSA-N 2 0 347.507 2.201 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C12CCC2 ZINC000925517032 1206121914 /nfs/dbraw/zinc/12/19/14/1206121914.db2.gz XBIRCKVIQYSQEP-CFVMTHIKSA-N 2 0 338.835 2.004 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C12CCC2 ZINC000925591780 1206132991 /nfs/dbraw/zinc/13/29/91/1206132991.db2.gz AXLPSVWDZKWTFO-RBUKOAKNSA-N 2 0 341.499 2.470 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C12CCC2 ZINC000925666451 1206141708 /nfs/dbraw/zinc/14/17/08/1206141708.db2.gz PPRCDNHYFQVNLG-KZNAEPCWSA-N 2 0 327.472 2.080 10 0 EEAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925848546 1206159999 /nfs/dbraw/zinc/15/99/99/1206159999.db2.gz HXAIAHKSYNFCHD-GOSISDBHSA-N 2 0 346.519 2.377 10 0 EEAERP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852684 1206160924 /nfs/dbraw/zinc/16/09/24/1206160924.db2.gz PVJAWAXXCJPLLO-GDBMZVCRSA-N 2 0 334.435 2.422 10 0 EEAERP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852449 1206160994 /nfs/dbraw/zinc/16/09/94/1206160994.db2.gz UXFFMFCPOJPWHC-OIISXLGYSA-N 2 0 332.444 2.038 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1OC ZINC000925859454 1206162097 /nfs/dbraw/zinc/16/20/97/1206162097.db2.gz YNOHXTSWFYVCLT-HIFRSBDPSA-N 2 0 348.443 2.040 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000926159320 1206199821 /nfs/dbraw/zinc/19/98/21/1206199821.db2.gz RSCBPZNUOHSBCT-KRWDZBQOSA-N 2 0 327.432 2.355 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926256324 1206208137 /nfs/dbraw/zinc/20/81/37/1206208137.db2.gz WHYXCMLZEGHKJO-OAHLLOKOSA-N 2 0 341.496 2.086 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000928829039 1206425071 /nfs/dbraw/zinc/42/50/71/1206425071.db2.gz SWZLXPISOMKHCY-MSOLQXFVSA-N 2 0 332.492 2.313 10 0 EEAERP C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000928837888 1206426345 /nfs/dbraw/zinc/42/63/45/1206426345.db2.gz WZBDQZMGYQUHNF-DFGXFYAUSA-N 2 0 332.492 2.452 10 0 EEAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2[nH]c(C)nc2C)CC1 ZINC000929279872 1206462076 /nfs/dbraw/zinc/46/20/76/1206462076.db2.gz IOQOFSZSAKYPDS-UHFFFAOYSA-N 2 0 349.523 2.087 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000930435230 1206557539 /nfs/dbraw/zinc/55/75/39/1206557539.db2.gz FNKMYXONYQXYQU-QGZVFWFLSA-N 2 0 346.475 2.377 10 0 EEAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4C[C@@H]5COC[C@@H]5O4)C3)C2)cc1 ZINC000930462696 1206560051 /nfs/dbraw/zinc/56/00/51/1206560051.db2.gz ZLGIGXZNZIGUDP-ANULTFPQSA-N 2 0 342.483 2.388 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1cccc(C)c1 ZINC000931397009 1207369909 /nfs/dbraw/zinc/36/99/09/1207369909.db2.gz HAIAVHKCFDMQDJ-GOSISDBHSA-N 2 0 345.487 2.052 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001490842514 1208465047 /nfs/dbraw/zinc/46/50/47/1208465047.db2.gz SULCIYGJHLJVTD-VRNRZNANSA-N 2 0 331.863 2.142 10 0 EEAERP CCc1ccccc1CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001276332950 1215754113 /nfs/dbraw/zinc/75/41/13/1215754113.db2.gz MBSOAVHUDDBLKG-UHFFFAOYSA-N 2 0 343.515 2.325 10 0 EEAERP COCC[N@@H+]1CCCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900374162 1234287103 /nfs/dbraw/zinc/28/71/03/1234287103.db2.gz NQHOGLHKEVPLJL-UHFFFAOYSA-N 2 0 344.459 2.085 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000903437804 1240472177 /nfs/dbraw/zinc/47/21/77/1240472177.db2.gz MLKSABYBAOQLCS-WCQYABFASA-N 2 0 327.270 2.410 10 0 EEAERP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903927470 1242529367 /nfs/dbraw/zinc/52/93/67/1242529367.db2.gz YKZKOCYPFFYXPR-YQQAZPJKSA-N 2 0 335.496 2.134 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000903948565 1242665285 /nfs/dbraw/zinc/66/52/85/1242665285.db2.gz RGFWTEKWISIZHZ-ROUUACIJSA-N 2 0 347.507 2.231 10 0 EEAERP CCc1noc(C2CCC([NH2+]C[C@@H]3C[NH2+]CCC3(F)F)CC2)n1 ZINC000903957973 1242721647 /nfs/dbraw/zinc/72/16/47/1242721647.db2.gz VKPIQADCMZKAJK-CPCZMJQVSA-N 2 0 328.407 2.493 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001490960516 1258510981 /nfs/dbraw/zinc/51/09/81/1258510981.db2.gz UXNGZXDQWSXBTH-WGSAOQKQSA-N 2 0 344.503 2.393 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491157569 1258733930 /nfs/dbraw/zinc/73/39/30/1258733930.db2.gz QQEGLMOCTVDOBQ-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491190030 1258755711 /nfs/dbraw/zinc/75/57/11/1258755711.db2.gz HHRBFUCNWIIMPV-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491253001 1258847613 /nfs/dbraw/zinc/84/76/13/1258847613.db2.gz HLLOTITWMBAZEE-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001491253003 1258848026 /nfs/dbraw/zinc/84/80/26/1258848026.db2.gz HLLOTITWMBAZEE-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001491351780 1258992696 /nfs/dbraw/zinc/99/26/96/1258992696.db2.gz KENSPVSQOYQBBX-GUWOVEPVSA-N 2 0 333.879 2.436 10 0 EEAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001491523781 1259183473 /nfs/dbraw/zinc/18/34/73/1259183473.db2.gz SVAAORLUVVWJID-FOSCPCJNSA-N 2 0 327.432 2.332 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000851727230 1277735564 /nfs/dbraw/zinc/73/55/64/1277735564.db2.gz HDVKYWULNBQWGI-MRXNPFEDSA-N 2 0 348.424 2.379 10 0 EEAERP CCN(CC[NH2+]Cc1cn(C(C)C)nc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273709990 1283829364 /nfs/dbraw/zinc/82/93/64/1283829364.db2.gz FLZDSPTYRVBVRW-KRWDZBQOSA-N 2 0 349.523 2.052 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)nsc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273710524 1283847338 /nfs/dbraw/zinc/84/73/38/1283847338.db2.gz XXAFEPUWBHHZCP-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP CCN(CC[NH2+]Cc1nsc2ccccc12)C(=O)C[NH+]1CCCC1 ZINC001273752824 1284818066 /nfs/dbraw/zinc/81/80/66/1284818066.db2.gz LPBZUNCSZKLHAX-UHFFFAOYSA-N 2 0 346.500 2.330 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001488747222 1290198863 /nfs/dbraw/zinc/19/88/63/1290198863.db2.gz UQYKOSVGHSHUIA-ZIFCJYIRSA-N 2 0 345.487 2.034 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493147073 1290576677 /nfs/dbraw/zinc/57/66/77/1290576677.db2.gz KOGBDMKGXOHAOH-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cncc(F)c1 ZINC001490257975 1291085653 /nfs/dbraw/zinc/08/56/53/1291085653.db2.gz QAUKGJKUCIKYTQ-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309115 1291180492 /nfs/dbraw/zinc/18/04/92/1291180492.db2.gz YBAVEAWQXAEVLZ-RHSMWYFYSA-N 2 0 336.480 2.102 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C[C@@H]1CCOC1 ZINC001490325746 1291217377 /nfs/dbraw/zinc/21/73/77/1291217377.db2.gz WTGGVIYKWJIDBY-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C=Cn1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cn1 ZINC000856551191 1293563318 /nfs/dbraw/zinc/56/33/18/1293563318.db2.gz MNLBODGLIJDQDD-LJQANCHMSA-N 2 0 341.459 2.484 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C(=O)OCC)C2)[C@@H](C)C1 ZINC000858504968 1294137060 /nfs/dbraw/zinc/13/70/60/1294137060.db2.gz CIEBGWGZQYOYCT-JQHSSLGASA-N 2 0 338.492 2.365 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C(=O)OCC)C2)[C@H](C)C1 ZINC000858504970 1294137350 /nfs/dbraw/zinc/13/73/50/1294137350.db2.gz CIEBGWGZQYOYCT-NXHRZFHOSA-N 2 0 338.492 2.365 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)C12CCC2 ZINC000925492668 1294972564 /nfs/dbraw/zinc/97/25/64/1294972564.db2.gz MZAGVSGETDHVLB-RCCFBDPRSA-N 2 0 333.451 2.059 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001277092512 1301235973 /nfs/dbraw/zinc/23/59/73/1301235973.db2.gz FMCSEVISIQSSBK-YXSUXZIUSA-N 2 0 335.414 2.296 10 0 EEAERP O=C(NCC1([NH2+]CCOCC2CCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001277194595 1301756274 /nfs/dbraw/zinc/75/62/74/1301756274.db2.gz DCCIFYCJSCIRMP-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001277263447 1302066307 /nfs/dbraw/zinc/06/63/07/1302066307.db2.gz ACSJSFNLXUABLW-KBXCAEBGSA-N 2 0 332.492 2.167 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001277763406 1304363827 /nfs/dbraw/zinc/36/38/27/1304363827.db2.gz LMHZYXSLRKBSCT-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CCC(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000799028450 1305137068 /nfs/dbraw/zinc/13/70/68/1305137068.db2.gz SXHQKJYZWMVJAB-UHFFFAOYSA-N 2 0 330.476 2.242 10 0 EEAERP Cc1cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)ccc1N1CC[NH+](C)CC1 ZINC001118338275 1306348100 /nfs/dbraw/zinc/34/81/00/1306348100.db2.gz XRBRCLDRZPWPNJ-MSOLQXFVSA-N 2 0 342.487 2.216 10 0 EEAERP Cn1c(Cl)nc(Cl)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841086715 1315471446 /nfs/dbraw/zinc/47/14/46/1315471446.db2.gz FGHOIUKWLQAHBK-UHFFFAOYSA-N 2 0 346.306 2.033 10 0 EEAERP C[C@@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[NH+]1CCCCC1 ZINC000841727377 1315604030 /nfs/dbraw/zinc/60/40/30/1315604030.db2.gz ZBSNLAFXBFFRPN-SHNPODPLSA-N 2 0 348.535 2.314 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001278549997 1317209458 /nfs/dbraw/zinc/20/94/58/1317209458.db2.gz IYCYGHZQNMYAJX-ICSRJNTNSA-N 2 0 347.503 2.234 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCOCC1CCC1)C(C)(C)C ZINC001278991309 1318944434 /nfs/dbraw/zinc/94/44/34/1318944434.db2.gz ZXWJNXPBLGYUDE-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc([C@H]([NH3+])Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)cc(Cl)n1 ZINC001261442385 1322103722 /nfs/dbraw/zinc/10/37/22/1322103722.db2.gz OWFNMARPEAXYRD-UONOGXRCSA-N 2 0 347.850 2.478 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001263933189 1322556183 /nfs/dbraw/zinc/55/61/83/1322556183.db2.gz PAZQUAVWOOHOPM-RCCFBDPRSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001264421864 1322697051 /nfs/dbraw/zinc/69/70/51/1322697051.db2.gz WGSMFRJPZATOHQ-QAQDUYKDSA-N 2 0 339.524 2.160 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@@H]1CC(C)(C)CO1 ZINC001265120060 1322929981 /nfs/dbraw/zinc/92/99/81/1322929981.db2.gz ZITUYRODIBQRPV-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265167546 1322962431 /nfs/dbraw/zinc/96/24/31/1322962431.db2.gz SMRWHIKJSZVMCV-HNNXBMFYSA-N 2 0 325.472 2.334 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCCOC)C2)C1 ZINC001265223032 1322994286 /nfs/dbraw/zinc/99/42/86/1322994286.db2.gz PERVCTSCUZDAAO-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCOCc2ccccc2)C1 ZINC001265235635 1323002669 /nfs/dbraw/zinc/00/26/69/1323002669.db2.gz TYASKDLBKDIWPA-LJQANCHMSA-N 2 0 347.503 2.124 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265436999 1323154515 /nfs/dbraw/zinc/15/45/15/1323154515.db2.gz SUGPJQGROOBBAM-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001265478882 1323175288 /nfs/dbraw/zinc/17/52/88/1323175288.db2.gz RXTSWLZTZYFNPK-MWQQHZPXSA-N 2 0 335.517 2.258 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265609255 1323263026 /nfs/dbraw/zinc/26/30/26/1323263026.db2.gz LOEASPJMERGKDK-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001265609402 1323263182 /nfs/dbraw/zinc/26/31/82/1323263182.db2.gz OINLJIPDLYHOGK-MGPQQGTHSA-N 2 0 335.414 2.107 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265683465 1323319198 /nfs/dbraw/zinc/31/91/98/1323319198.db2.gz ANUIPGYWZOJSAZ-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001265909754 1323478119 /nfs/dbraw/zinc/47/81/19/1323478119.db2.gz DQWVESHUUYCCCC-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)c1 ZINC001265914598 1323482994 /nfs/dbraw/zinc/48/29/94/1323482994.db2.gz SGNIPBIZEICVFA-PKOBYXMFSA-N 2 0 347.503 2.159 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@H+](C)CCC(F)(F)F)C1 ZINC001265954393 1323516786 /nfs/dbraw/zinc/51/67/86/1323516786.db2.gz POUPUMNZPFLWKZ-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1c(C(=O)N2CC[C@H](C[NH2+]CC[C@@H](C)F)C2)ccc2c[nH+]cn21 ZINC001265990584 1323549198 /nfs/dbraw/zinc/54/91/98/1323549198.db2.gz RNAIUPDLNIZMAD-UKRRQHHQSA-N 2 0 332.423 2.443 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001266026732 1323577700 /nfs/dbraw/zinc/57/77/00/1323577700.db2.gz QWMDGGGWDDKWFV-JNLAIUADSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1nccnc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266074397 1323630093 /nfs/dbraw/zinc/63/00/93/1323630093.db2.gz ADRCXBHSWCFIOM-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP COc1ccc(C[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C2CC2)cc1 ZINC001266152311 1323720988 /nfs/dbraw/zinc/72/09/88/1323720988.db2.gz RGWZTAZRCKSEGW-LJQANCHMSA-N 2 0 345.487 2.260 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001279184170 1323847296 /nfs/dbraw/zinc/84/72/96/1323847296.db2.gz UYYGNMYAIPLFFX-HKUYNNGSSA-N 2 0 331.504 2.255 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001280083042 1324078156 /nfs/dbraw/zinc/07/81/56/1324078156.db2.gz GWBQUBPSPTXKSB-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP CCc1nccn1[C@@H](C)CC(=O)N1CCC(C)([NH2+]CCOC)CC1 ZINC001281497673 1325174023 /nfs/dbraw/zinc/17/40/23/1325174023.db2.gz JUUGFZZFHQPIQR-HNNXBMFYSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CCCF ZINC001281748722 1325434512 /nfs/dbraw/zinc/43/45/12/1325434512.db2.gz CXYVIVNGMYFGDK-JQHSSLGASA-N 2 0 335.467 2.176 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCC(F)(F)F)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001282295136 1325681071 /nfs/dbraw/zinc/68/10/71/1325681071.db2.gz PKXDXEKKLJRCKO-AWEZNQCLSA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001283061838 1325904532 /nfs/dbraw/zinc/90/45/32/1325904532.db2.gz HYSQNLIWSCSASS-QBPKDAKJSA-N 2 0 327.488 2.339 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001283079343 1325911960 /nfs/dbraw/zinc/91/19/60/1325911960.db2.gz ZJGJVVCMLCHWDF-KPGIPAPCSA-N 2 0 325.884 2.240 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001283704819 1326210625 /nfs/dbraw/zinc/21/06/25/1326210625.db2.gz PGHZDVGGYQXDRR-CJNGLKHVSA-N 2 0 340.899 2.258 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001284247313 1326473821 /nfs/dbraw/zinc/47/38/21/1326473821.db2.gz YLMSTESJOUBNGJ-STQMWFEESA-N 2 0 346.302 2.276 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001491650831 1330198773 /nfs/dbraw/zinc/19/87/73/1330198773.db2.gz SQJMMGOZIYQJNA-SJKOYZFVSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001491682734 1330204148 /nfs/dbraw/zinc/20/41/48/1330204148.db2.gz OVICWQXNUOLUGL-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC001491831694 1330267470 /nfs/dbraw/zinc/26/74/70/1330267470.db2.gz KRSZKKPLPYWMJB-INIZCTEOSA-N 2 0 340.471 2.125 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001491845343 1330272099 /nfs/dbraw/zinc/27/20/99/1330272099.db2.gz KKOMIBCJHNXESC-SFHVURJKSA-N 2 0 333.520 2.347 10 0 EEAERP COCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001491925903 1330315793 /nfs/dbraw/zinc/31/57/93/1330315793.db2.gz UTTKIHCVWRJIQJ-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC(F)(F)C1 ZINC001492037331 1330461178 /nfs/dbraw/zinc/46/11/78/1330461178.db2.gz RVJIQICWZODEPT-UKRRQHHQSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001492092413 1330999496 /nfs/dbraw/zinc/99/94/96/1330999496.db2.gz PWZXBLAQAVISQC-SJLPKXTDSA-N 2 0 332.492 2.329 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492165648 1331030540 /nfs/dbraw/zinc/03/05/40/1331030540.db2.gz ZCTZNIWJUIQGDX-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cc(C[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)C2CC2)sn1 ZINC001316922112 1331988796 /nfs/dbraw/zinc/98/87/96/1331988796.db2.gz SLQOUGMAHSJBME-MRXNPFEDSA-N 2 0 336.505 2.016 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317139150 1332095265 /nfs/dbraw/zinc/09/52/65/1332095265.db2.gz XFXWIZZEBHGGLG-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2cscn2)CC1 ZINC001317221156 1332142716 /nfs/dbraw/zinc/14/27/16/1332142716.db2.gz XRQGBGQBQPDDOU-UHFFFAOYSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001317354592 1332191732 /nfs/dbraw/zinc/19/17/32/1332191732.db2.gz JKBBREMUOLFKCA-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317653395 1332351194 /nfs/dbraw/zinc/35/11/94/1332351194.db2.gz FXAIQZDXUDVTHM-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C2CCC2)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317662331 1332356586 /nfs/dbraw/zinc/35/65/86/1332356586.db2.gz XLVIXCGQRIWRJY-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001317677556 1332366156 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339.499 2.343 10 0 EEAERP Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001319851532 1332784164 /nfs/dbraw/zinc/78/41/64/1332784164.db2.gz WGYDNPFHAQUOSA-SUMWQHHRSA-N 2 0 332.423 2.443 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320529234 1332903687 /nfs/dbraw/zinc/90/36/87/1332903687.db2.gz LFTHQFDGYKJHDV-ZOBUZTSGSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nccs1 ZINC001320565275 1332911869 /nfs/dbraw/zinc/91/18/69/1332911869.db2.gz XYBJUAHBIWZFQF-HUUCEWRRSA-N 2 0 338.521 2.390 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001321248616 1333054482 /nfs/dbraw/zinc/05/44/82/1333054482.db2.gz CFQUYIGMRLFKKA-BDUNBXCCSA-N 2 0 329.488 2.353 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccns1 ZINC001321282187 1333063900 /nfs/dbraw/zinc/06/39/00/1333063900.db2.gz VXOUJNVGRDJTRU-DWTRPJMMSA-N 2 0 336.505 2.168 10 0 EEAERP Cc1nccn1CC(=O)NC/C=C/C[NH2+]Cc1cc(C)ccc1F 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TWSLENWZMYVSQB-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001327634141 1334325608 /nfs/dbraw/zinc/32/56/08/1334325608.db2.gz CXGQOGKLUWBQOL-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC(F)(F)F)C1 ZINC001328860619 1334535820 /nfs/dbraw/zinc/53/58/20/1334535820.db2.gz CLRQHLMMTHYVRF-JXQTWKCFSA-N 2 0 335.414 2.298 10 0 EEAERP O=C(NC1CC(C[NH2+]CCCCCF)C1)C12CCC[NH+]1CCC2 ZINC001328880054 1334540003 /nfs/dbraw/zinc/54/00/03/1334540003.db2.gz UOGNDLYQNLPRDR-UHFFFAOYSA-N 2 0 325.472 2.239 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001328928110 1334549636 /nfs/dbraw/zinc/54/96/36/1334549636.db2.gz NGKINZPTIYFREA-KDSCCMBASA-N 2 0 327.900 2.486 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2ocnc2C)CC[N@@H+]1C ZINC001330824189 1334910248 /nfs/dbraw/zinc/91/02/48/1334910248.db2.gz XLDKVSBYMOWGPJ-VNQPRFMTSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001330843405 1334913664 /nfs/dbraw/zinc/91/36/64/1334913664.db2.gz RBNHHUKNBGNJRU-XJKSGUPXSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCOC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001331943983 1335683439 /nfs/dbraw/zinc/68/34/39/1335683439.db2.gz LUQTYCWFCXWIDB-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001332047714 1335713148 /nfs/dbraw/zinc/71/31/48/1335713148.db2.gz JGHAOFWARFNNJJ-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccncc1C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001333433355 1336045380 /nfs/dbraw/zinc/04/53/80/1336045380.db2.gz NWUWWUNANRJKEV-LJQANCHMSA-N 2 0 344.503 2.225 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479679942 1337340913 /nfs/dbraw/zinc/34/09/13/1337340913.db2.gz CCBSDEQNPIVJLP-MJGOQNOKSA-N 2 0 347.503 2.106 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001436364108 1342053765 /nfs/dbraw/zinc/05/37/65/1342053765.db2.gz IEMSQMVRPOTWRP-MAEOIBBWSA-N 2 0 342.487 2.494 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001436400307 1342074801 /nfs/dbraw/zinc/07/48/01/1342074801.db2.gz CLRFZDMQXUFVGS-BRSBDYLESA-N 2 0 344.503 2.247 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CCCc1cccc(F)c1 ZINC001499119390 1342107867 /nfs/dbraw/zinc/10/78/67/1342107867.db2.gz DJFYJWDSONRPHP-GOSISDBHSA-N 2 0 333.451 2.045 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001673342827 1356670418 /nfs/dbraw/zinc/67/04/18/1356670418.db2.gz RGDUCMSCQAJYCR-IBGZPJMESA-N 2 0 345.487 2.145 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001566053322 1342535597 /nfs/dbraw/zinc/53/55/97/1342535597.db2.gz YXJHSRDAFPVKKA-IXDOHACOSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1)[NH+](C)C ZINC001566724222 1342614070 /nfs/dbraw/zinc/61/40/70/1342614070.db2.gz DYEBWJRHINULCF-CABCVRRESA-N 2 0 338.883 2.060 10 0 EEAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568775845 1342854091 /nfs/dbraw/zinc/85/40/91/1342854091.db2.gz NQTAUGNWJSWQDT-RHSMWYFYSA-N 2 0 333.467 2.385 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001569526007 1342892661 /nfs/dbraw/zinc/89/26/61/1342892661.db2.gz DHDJKPVPWIUAQB-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)C12CCC[NH+]1CCC2 ZINC001570041240 1343003451 /nfs/dbraw/zinc/00/34/51/1343003451.db2.gz FBGVMXWZAMTJON-WKILWMFISA-N 2 0 325.472 2.239 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001570142606 1343015426 /nfs/dbraw/zinc/01/54/26/1343015426.db2.gz QJNZGWVMNOMSTH-RTBURBONSA-N 2 0 349.519 2.177 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001570437140 1343069506 /nfs/dbraw/zinc/06/95/06/1343069506.db2.gz JNFXNNGZDHNHBF-HOCLYGCPSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001570448202 1343072202 /nfs/dbraw/zinc/07/22/02/1343072202.db2.gz AERBFLKQZOOCAM-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570544395 1343080221 /nfs/dbraw/zinc/08/02/21/1343080221.db2.gz UTXQDFLZYYGOJV-MRXNPFEDSA-N 2 0 325.472 2.145 10 0 EEAERP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570674128 1343099927 /nfs/dbraw/zinc/09/99/27/1343099927.db2.gz SUZHWCMVBUTJOT-IJVDHGTGSA-N 2 0 327.900 2.155 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001676114420 1357108355 /nfs/dbraw/zinc/10/83/55/1357108355.db2.gz KDSKWZSBFRSCHH-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CCCC[NH+](C)C ZINC001571490279 1343218574 /nfs/dbraw/zinc/21/85/74/1343218574.db2.gz BNNWUWIETNIMNG-HIFRSBDPSA-N 2 0 331.451 2.343 10 0 EEAERP CCOCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001571687808 1343272666 /nfs/dbraw/zinc/27/26/66/1343272666.db2.gz QTKOGRDEARYDSH-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2ccc(C)cc2)C[C@H]1C ZINC001676775859 1357198206 /nfs/dbraw/zinc/19/82/06/1357198206.db2.gz VTXGNBQGZNWSPN-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP COCCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001677215175 1357295476 /nfs/dbraw/zinc/29/54/76/1357295476.db2.gz DYCLPKOFWHCNEG-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001677573757 1357359300 /nfs/dbraw/zinc/35/93/00/1357359300.db2.gz ADPQKGRKWWLBSD-MOPGFXCFSA-N 2 0 349.519 2.178 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2nc1Cl ZINC001650814279 1354030447 /nfs/dbraw/zinc/03/04/47/1354030447.db2.gz ACDKRMAJSXSQHG-UHFFFAOYSA-N 2 0 348.878 2.454 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@@H]1CC[C@@H](C)O1 ZINC001660553260 1354488150 /nfs/dbraw/zinc/48/81/50/1354488150.db2.gz HKOXWYFXCXZGBC-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CCC(F)(F)F)C2CC2)CC[N@@H+]1C ZINC001660684846 1354516777 /nfs/dbraw/zinc/51/67/77/1354516777.db2.gz BLESMVDTNAIWHA-TZMCWYRMSA-N 2 0 335.414 2.250 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001661496065 1354645927 /nfs/dbraw/zinc/64/59/27/1354645927.db2.gz MGBZKBBIMIYNTO-FDYHWXHSSA-N 2 0 336.307 2.147 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001661813425 1354701717 /nfs/dbraw/zinc/70/17/17/1354701717.db2.gz BXGGXLFDCXCJHG-GOSISDBHSA-N 2 0 347.503 2.154 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661832289 1354705292 /nfs/dbraw/zinc/70/52/92/1354705292.db2.gz IEJIAAHFUYBBEY-KBPBESRZSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001662582175 1354807936 /nfs/dbraw/zinc/80/79/36/1354807936.db2.gz UORZDXOOHQNHKD-SFHVURJKSA-N 2 0 344.503 2.347 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001662690297 1354826475 /nfs/dbraw/zinc/82/64/75/1354826475.db2.gz FECVIZVSZCOROA-CQSZACIVSA-N 2 0 335.414 2.109 10 0 EEAERP Cc1ccncc1C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634383 1355006255 /nfs/dbraw/zinc/00/62/55/1355006255.db2.gz SCKBCHHBDRJVRI-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001664036576 1355078817 /nfs/dbraw/zinc/07/88/17/1355078817.db2.gz LUUGRFNKUCVWPV-LJQANCHMSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]CCOc1ccccc1)[NH+]1CCCCCC1 ZINC001664227742 1355118194 /nfs/dbraw/zinc/11/81/94/1355118194.db2.gz VFFWWZNCRWBREL-SFHVURJKSA-N 2 0 347.503 2.378 10 0 EEAERP CN(CC[NH2+]C/C=C/c1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664369884 1355148209 /nfs/dbraw/zinc/14/82/09/1355148209.db2.gz OISFOSCGJKHQAY-QDLOVBKTSA-N 2 0 335.879 2.353 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(F)c1 ZINC001664558079 1355193047 /nfs/dbraw/zinc/19/30/47/1355193047.db2.gz YUPAIBUTQYMYAF-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001666172390 1355474992 /nfs/dbraw/zinc/47/49/92/1355474992.db2.gz GZYFMSJAZSKBMU-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001667279870 1355697572 /nfs/dbraw/zinc/69/75/72/1355697572.db2.gz ZOUOYSUNGFKHEZ-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CC[NH+]1CCCCC1 ZINC001668320330 1355922690 /nfs/dbraw/zinc/92/26/90/1355922690.db2.gz PGEIFEXTWLVJQD-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001668464282 1355946591 /nfs/dbraw/zinc/94/65/91/1355946591.db2.gz JWUBGPMWVXMKCQ-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP CC[C@@H](C[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001668478324 1355948946 /nfs/dbraw/zinc/94/89/46/1355948946.db2.gz WGGHWPVFXOPBPP-INIZCTEOSA-N 2 0 332.448 2.119 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001669385735 1356153131 /nfs/dbraw/zinc/15/31/31/1356153131.db2.gz WKMQMVBIBCKCKE-KGLIPLIRSA-N 2 0 331.451 2.248 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001670095209 1356274382 /nfs/dbraw/zinc/27/43/82/1356274382.db2.gz CKQJWYHQGKNBLB-WOJBJXKFSA-N 2 0 341.499 2.454 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001670158305 1356286983 /nfs/dbraw/zinc/28/69/83/1356286983.db2.gz QFUQOTKUXMOOFU-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001672859816 1356601009 /nfs/dbraw/zinc/60/10/09/1356601009.db2.gz WTZQLARTVOKZGR-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001672874380 1356603686 /nfs/dbraw/zinc/60/36/86/1356603686.db2.gz FIMNMEBUUDBJRH-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C)o1 ZINC001673933901 1356762833 /nfs/dbraw/zinc/76/28/33/1356762833.db2.gz QNMLHPPKTGVHGS-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP O=C(NC1CC(C[NH2+]CCc2cccs2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001674541937 1356856556 /nfs/dbraw/zinc/85/65/56/1356856556.db2.gz JQZABTDRYXZJJM-JFUPDXTOSA-N 2 0 347.528 2.117 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001675153888 1356939882 /nfs/dbraw/zinc/93/98/82/1356939882.db2.gz WWZDMZQODRUTEW-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001675565135 1357007044 /nfs/dbraw/zinc/00/70/44/1357007044.db2.gz WDGVUIGEHIMBTP-OKYOBFRVSA-N 2 0 333.520 2.367 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001675898124 1357065208 /nfs/dbraw/zinc/06/52/08/1357065208.db2.gz KKWACHXLHADQHR-PBHICJAKSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C/c1ccccc1 ZINC001698748123 1405042501 /nfs/dbraw/zinc/04/25/01/1405042501.db2.gz KEGTYPUOIZXGCM-KULPVDPTSA-N 2 0 329.488 2.382 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)no1 ZINC001698904680 1405144370 /nfs/dbraw/zinc/14/43/70/1405144370.db2.gz KOCPYAUNDPKLSK-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001699292755 1405323254 /nfs/dbraw/zinc/32/32/54/1405323254.db2.gz WCMIHKDKCMCGLT-LAQIPUCWSA-N 2 0 337.508 2.082 10 0 EEAERP CCN1CCO[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001699551693 1405387969 /nfs/dbraw/zinc/38/79/69/1405387969.db2.gz RAZPKQTYFGATQW-IEBWSBKVSA-N 2 0 347.503 2.215 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000918807522 769401571 /nfs/dbraw/zinc/40/15/71/769401571.db2.gz HJBWXYIVEPSLNQ-KBAYOESNSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000921161871 770987359 /nfs/dbraw/zinc/98/73/59/770987359.db2.gz GFEFHIVDCTVSQO-SOLBZPMBSA-N 2 0 332.492 2.289 10 0 EEAERP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780103 775484566 /nfs/dbraw/zinc/48/45/66/775484566.db2.gz RWXJHIGCRIRKBG-GHMZBOCLSA-N 2 0 346.809 2.287 10 0 EEAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925839422 779292645 /nfs/dbraw/zinc/29/26/45/779292645.db2.gz QYOOVYYPTMCFTI-WCQYABFASA-N 2 0 327.270 2.112 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000817897609 785053170 /nfs/dbraw/zinc/05/31/70/785053170.db2.gz TVDSTAURIKNQBX-QGZVFWFLSA-N 2 0 334.508 2.065 10 0 EEAERP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cn1 ZINC000819205593 785436845 /nfs/dbraw/zinc/43/68/45/785436845.db2.gz LBVRDXWDDGLYFU-SFHVURJKSA-N 2 0 330.407 2.155 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711282402 788610270 /nfs/dbraw/zinc/61/02/70/788610270.db2.gz NCAGYCBXGWRZKS-ROUUACIJSA-N 2 0 329.488 2.213 10 0 EEAERP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1OC ZINC000923301797 789336593 /nfs/dbraw/zinc/33/65/93/789336593.db2.gz XUMJZVGVEOIZBT-HZPDHXFCSA-N 2 0 332.444 2.219 10 0 EEAERP COc1cc(CCC2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc(OC)c1 ZINC000923302134 789337600 /nfs/dbraw/zinc/33/76/00/789337600.db2.gz RTJAGHKHWCPNOM-VDGAXYAQSA-N 2 0 348.487 2.199 10 0 EEAERP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923333148 789392505 /nfs/dbraw/zinc/39/25/05/789392505.db2.gz UUFHAHQRHBZLCV-SDDRHHMPSA-N 2 0 333.259 2.402 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)CCc2ccccc2)C1 ZINC000923392552 789480919 /nfs/dbraw/zinc/48/09/19/789480919.db2.gz JVAQGWGEZYPAHR-WCIQWLHISA-N 2 0 332.488 2.341 10 0 EEAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000923413534 789520460 /nfs/dbraw/zinc/52/04/60/789520460.db2.gz FWLFZNQHLCWUNR-IPMKNSEASA-N 2 0 332.488 2.425 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413602 789520522 /nfs/dbraw/zinc/52/05/22/789520522.db2.gz GLCWUKPOJJEPQU-INMHGKMJSA-N 2 0 338.879 2.462 10 0 EEAERP C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923496205 789653252 /nfs/dbraw/zinc/65/32/52/789653252.db2.gz HOTMLRGDHYHRTF-AEFFLSMTSA-N 2 0 342.491 2.427 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913870242 794437663 /nfs/dbraw/zinc/43/76/63/794437663.db2.gz SWUDVANFPVAOCJ-OWCLPIDISA-N 2 0 334.464 2.198 10 0 EEAERP O[C@@H](C[NH2+]CCc1sccc1Br)C[NH+]1CCCC1 ZINC000713068465 794551721 /nfs/dbraw/zinc/55/17/21/794551721.db2.gz MYEGERITCJVDGT-NSHDSACASA-N 2 0 333.295 2.099 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@@]3(O)CCC[NH+](C)C3)c2C1 ZINC000901153386 797152864 /nfs/dbraw/zinc/15/28/64/797152864.db2.gz WGPKDVOBXXMPSW-FQEVSTJZSA-N 2 0 345.487 2.444 10 0 EEAERP NC1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423545467 799486361 /nfs/dbraw/zinc/48/63/61/799486361.db2.gz CQJZSQSCAPFINM-SFHVURJKSA-N 2 0 339.487 2.370 10 0 EEAERP COCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001565971278 1125478461 /nfs/dbraw/zinc/47/84/61/1125478461.db2.gz UIODYKSJSHJSAT-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566069215 1125541724 /nfs/dbraw/zinc/54/17/24/1125541724.db2.gz SZZOWBQVJDRHIE-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001566075209 1125547528 /nfs/dbraw/zinc/54/75/28/1125547528.db2.gz IPLYAEBAVAEQHX-SFHVURJKSA-N 2 0 339.524 2.260 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001566099819 1125560190 /nfs/dbraw/zinc/56/01/90/1125560190.db2.gz RRJLMTCJQJITFZ-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC001566226237 1125591467 /nfs/dbraw/zinc/59/14/67/1125591467.db2.gz MNTIHNXDYWNKDG-BRSBDYLESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cccnc1C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001566469864 1125629931 /nfs/dbraw/zinc/62/99/31/1125629931.db2.gz HFSFKGXEDPODCI-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001566498483 1125666346 /nfs/dbraw/zinc/66/63/46/1125666346.db2.gz HPLXVFLGMVZYBY-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001566498485 1125666910 /nfs/dbraw/zinc/66/69/10/1125666910.db2.gz HPLXVFLGMVZYBY-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccc(F)c1F ZINC001566574581 1125755539 /nfs/dbraw/zinc/75/55/39/1125755539.db2.gz ANRZMMTYFYWQFZ-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC001436412919 1087766202 /nfs/dbraw/zinc/76/62/02/1087766202.db2.gz ADDGXRMJVWRMMW-WMLDXEAASA-N 2 0 348.466 2.080 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001436790961 1088353401 /nfs/dbraw/zinc/35/34/01/1088353401.db2.gz RUULOXYMJILBHF-RBUKOAKNSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C2CC2)o1 ZINC001436823763 1088422908 /nfs/dbraw/zinc/42/29/08/1088422908.db2.gz XUQJUVOXTTZQJI-MSOLQXFVSA-N 2 0 348.491 2.230 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC001436829140 1088437245 /nfs/dbraw/zinc/43/72/45/1088437245.db2.gz CDAGCUSFXTYOJZ-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001436923700 1088583845 /nfs/dbraw/zinc/58/38/45/1088583845.db2.gz WSTYDMCUSNCINA-ULQDDVLXSA-N 2 0 325.472 2.093 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437375645 1089618902 /nfs/dbraw/zinc/61/89/02/1089618902.db2.gz YDFLQNGEINIUNG-BEFAXECRSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001437389743 1089641243 /nfs/dbraw/zinc/64/12/43/1089641243.db2.gz OLQHUASOQXVBGL-ZBFHGGJFSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCOc2ccccc2C)CC[N@@H+]1C ZINC001437462184 1089781222 /nfs/dbraw/zinc/78/12/22/1089781222.db2.gz IIXNTEIUCUSDGR-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531660 1089964349 /nfs/dbraw/zinc/96/43/49/1089964349.db2.gz NWGFWIOHBZMZRZ-STQMWFEESA-N 2 0 328.407 2.072 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001437740642 1090301742 /nfs/dbraw/zinc/30/17/42/1090301742.db2.gz IDJVFNSPPTVGGM-HNNXBMFYSA-N 2 0 335.879 2.374 10 0 EEAERP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1cncc(F)c1 ZINC001437749068 1090314265 /nfs/dbraw/zinc/31/42/65/1090314265.db2.gz AVSCXNIBDXILDI-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001438126486 1090652564 /nfs/dbraw/zinc/65/25/64/1090652564.db2.gz APWDSVMIVSCBNQ-HOCLYGCPSA-N 2 0 343.462 2.344 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001438246035 1090728290 /nfs/dbraw/zinc/72/82/90/1090728290.db2.gz MDQHUGSNNOAXKW-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1([NH2+]C[C@@H]2CC(C)(C)CO2)CCCC1 ZINC001438604942 1091091639 /nfs/dbraw/zinc/09/16/39/1091091639.db2.gz AMQKGHNZVOWRJI-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ncc(C)s2)C1 ZINC001445432044 1091188944 /nfs/dbraw/zinc/18/89/44/1091188944.db2.gz ZGIVPGYBPPFSNN-UKRRQHHQSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001445624454 1091418828 /nfs/dbraw/zinc/41/88/28/1091418828.db2.gz MVBHIKMIHVQMKK-AWEZNQCLSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445644172 1091433542 /nfs/dbraw/zinc/43/35/42/1091433542.db2.gz DOEVDGVOEFKVHZ-KBPBESRZSA-N 2 0 329.435 2.002 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/c1ccccc1 ZINC001438835998 1091463299 /nfs/dbraw/zinc/46/32/99/1091463299.db2.gz CMOFANBRJZNTQI-RJHNKFTKSA-N 2 0 329.488 2.382 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@@H]1CCCCO1 ZINC001438876160 1091521900 /nfs/dbraw/zinc/52/19/00/1091521900.db2.gz LOMGVWJRFMZPJX-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439107395 1091751603 /nfs/dbraw/zinc/75/16/03/1091751603.db2.gz ZRZBUANHMLTFIK-ABAIWWIYSA-N 2 0 327.831 2.168 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cncs1 ZINC001445887847 1091815389 /nfs/dbraw/zinc/81/53/89/1091815389.db2.gz CTUSIFFBDNEVCW-GOEBONIOSA-N 2 0 338.521 2.250 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001439172629 1091819221 /nfs/dbraw/zinc/81/92/21/1091819221.db2.gz BKOILTPLGSDGOA-WBMJQRKESA-N 2 0 339.430 2.388 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccccc1F)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001445959330 1091907062 /nfs/dbraw/zinc/90/70/62/1091907062.db2.gz YZVYJQGNJSLCJU-HKUYNNGSSA-N 2 0 345.462 2.152 10 0 EEAERP 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C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccc1OC1CC1 ZINC001440907945 1094162431 /nfs/dbraw/zinc/16/24/31/1094162431.db2.gz DPRJMNSHWUSSFN-QAPCUYQASA-N 2 0 345.487 2.259 10 0 EEAERP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001440926200 1094178634 /nfs/dbraw/zinc/17/86/34/1094178634.db2.gz RCHRTMFQFUROMM-GUYCJALGSA-N 2 0 335.517 2.335 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cccnc2)CC1)[NH+](C)C ZINC001449372035 1094341663 /nfs/dbraw/zinc/34/16/63/1094341663.db2.gz NMYOELMDDMPCBZ-MAUKXSAKSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2Cc2cccnc2)C1 ZINC001441124332 1094446493 /nfs/dbraw/zinc/44/64/93/1094446493.db2.gz BKZYJMWZNIBTOM-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001441149411 1094490662 /nfs/dbraw/zinc/49/06/62/1094490662.db2.gz OROPSQOIMVXJDL-UHFFFAOYSA-N 2 0 332.492 2.236 10 0 EEAERP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 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CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCCF)C2)C1 ZINC001443320507 1097810244 /nfs/dbraw/zinc/81/02/44/1097810244.db2.gz IVUBUVWXAZVPMV-IRXDYDNUSA-N 2 0 327.488 2.248 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]C[C@H]2CCOC2)CCCC1)CC(C)(C)C ZINC001444080101 1098606735 /nfs/dbraw/zinc/60/67/35/1098606735.db2.gz PQOIBQLCSUIUMZ-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCc2ccc(F)cc21 ZINC001479761987 1098923600 /nfs/dbraw/zinc/92/36/00/1098923600.db2.gz FHQVKOZCBJCHSU-ROUUACIJSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)on1 ZINC001479808767 1099057097 /nfs/dbraw/zinc/05/70/97/1099057097.db2.gz OBPIIWKYFXNUMM-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001479808821 1099058859 /nfs/dbraw/zinc/05/88/59/1099058859.db2.gz PQQRRVJUXYIDFW-QGZVFWFLSA-N 2 0 342.487 2.448 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccc2cccnc21 ZINC001479811839 1099070696 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ZINC001480350551 1100119641 /nfs/dbraw/zinc/11/96/41/1100119641.db2.gz WYKKFEBXQARBJS-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCOC1)c1cnc[nH]1 ZINC001480364645 1100138493 /nfs/dbraw/zinc/13/84/93/1100138493.db2.gz ACBPPUMSZBIDKY-CVEARBPZSA-N 2 0 348.491 2.085 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001480411906 1100229747 /nfs/dbraw/zinc/22/97/47/1100229747.db2.gz WRORIBNMVRRJPQ-WWDZGPRUSA-N 2 0 339.524 2.160 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001480480329 1100288656 /nfs/dbraw/zinc/28/86/56/1100288656.db2.gz QQORCKKJUYVCQU-RDJZCZTQSA-N 2 0 333.476 2.164 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(F)cn1 ZINC001495146425 1100817424 /nfs/dbraw/zinc/81/74/24/1100817424.db2.gz WQWADMFGLYHXKF-WBVHZDCISA-N 2 0 336.455 2.080 10 0 EEAERP CC1CC(C[NH2+]C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C2CCCC2)C1 ZINC001446494097 1100936317 /nfs/dbraw/zinc/93/63/17/1100936317.db2.gz CCKGTKQTPQMVIK-LEOMRAHMSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496424818 1101015839 /nfs/dbraw/zinc/01/58/39/1101015839.db2.gz ANGVRASWLLMIMH-QFBILLFUSA-N 2 0 347.503 2.103 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446551057 1101019645 /nfs/dbraw/zinc/01/96/45/1101019645.db2.gz AMKNAPUMSSWBBC-YLJYHZDGSA-N 2 0 329.488 2.152 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CCC(F)(F)F)CC1)[NH+](C)C ZINC001495433365 1101151410 /nfs/dbraw/zinc/15/14/10/1101151410.db2.gz YNJXKVXUPOQOAE-CQSZACIVSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001496641831 1101247140 /nfs/dbraw/zinc/24/71/40/1101247140.db2.gz HLIWIFHMVQDFFW-OAHLLOKOSA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC[C@H](C)F)CCC1(F)F ZINC001446731220 1101311897 /nfs/dbraw/zinc/31/18/97/1101311897.db2.gz ZFQHUJAABNMKJH-UONOGXRCSA-N 2 0 337.430 2.150 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001446942453 1101630577 /nfs/dbraw/zinc/63/05/77/1101630577.db2.gz LIJIYASPJGYYLR-RDJZCZTQSA-N 2 0 335.467 2.493 10 0 EEAERP CCc1nc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)cs1 ZINC001496904804 1101697758 /nfs/dbraw/zinc/69/77/58/1101697758.db2.gz UYDWHGHQZOEIQC-DZGCQCFKSA-N 2 0 338.521 2.032 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001447087886 1101965343 /nfs/dbraw/zinc/96/53/43/1101965343.db2.gz BBAWMBLSQDBZCV-ULQDDVLXSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001496063833 1101999962 /nfs/dbraw/zinc/99/99/62/1101999962.db2.gz LPQAVSJROZEYTJ-BPQIPLTHSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001496076811 1102017775 /nfs/dbraw/zinc/01/77/75/1102017775.db2.gz CDCHJALEODQOSA-RDTXWAMCSA-N 2 0 348.491 2.327 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001496079981 1102024762 /nfs/dbraw/zinc/02/47/62/1102024762.db2.gz OJZJYGCYAHUPDV-AEFFLSMTSA-N 2 0 349.523 2.275 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001447166336 1102119904 /nfs/dbraw/zinc/11/99/04/1102119904.db2.gz PANGGPDSCFMQCC-ROUUACIJSA-N 2 0 349.519 2.105 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497219439 1102144218 /nfs/dbraw/zinc/14/42/18/1102144218.db2.gz AVNGNYRYDNMTIU-GDBMZVCRSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497221992 1102149359 /nfs/dbraw/zinc/14/93/59/1102149359.db2.gz YHXCVOKGAVBWGO-CYBMUJFWSA-N 2 0 329.435 2.145 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257738 1102206633 /nfs/dbraw/zinc/20/66/33/1102206633.db2.gz VSCQKVIAZDLCAK-NSHDSACASA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC2)s1 ZINC001447215693 1102221218 /nfs/dbraw/zinc/22/12/18/1102221218.db2.gz MFKGNFIPYRUMRZ-HNNXBMFYSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497303421 1102284566 /nfs/dbraw/zinc/28/45/66/1102284566.db2.gz GTMYITINHQJOPP-SJLPKXTDSA-N 2 0 346.519 2.079 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497304080 1102285946 /nfs/dbraw/zinc/28/59/46/1102285946.db2.gz MIAMYUMDKNBLCB-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497332667 1102339387 /nfs/dbraw/zinc/33/93/87/1102339387.db2.gz QKNKMRVIBOHBPO-OAHLLOKOSA-N 2 0 344.459 2.343 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CCC2)o1 ZINC001447271040 1102353249 /nfs/dbraw/zinc/35/32/49/1102353249.db2.gz XKFRGAAMVQINBA-HOTGVXAUSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001447292409 1102377619 /nfs/dbraw/zinc/37/76/19/1102377619.db2.gz XLAHQYOPRFWOOT-RHSMWYFYSA-N 2 0 344.459 2.119 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001497443042 1102495913 /nfs/dbraw/zinc/49/59/13/1102495913.db2.gz ZYMVQTRGNDYEGE-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccn1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595931 1102723722 /nfs/dbraw/zinc/72/37/22/1102723722.db2.gz HRGVAFCNFAIKID-SFFCAUCYSA-N 2 0 342.487 2.251 10 0 EEAERP CC1([NH2+]CC[C@H]2CCOC2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001447551348 1102846695 /nfs/dbraw/zinc/84/66/95/1102846695.db2.gz RXUQZIMJFXMHFD-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccccn2)cc1 ZINC001497703106 1102934585 /nfs/dbraw/zinc/93/45/85/1102934585.db2.gz ZXHLXLMVDLBDTM-WAYWQWQTSA-N 2 0 338.455 2.219 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001493898894 1103076860 /nfs/dbraw/zinc/07/68/60/1103076860.db2.gz MEQQCNYRUHYFDD-MJGOQNOKSA-N 2 0 347.503 2.344 10 0 EEAERP 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ZINC001480598034 1106737542 /nfs/dbraw/zinc/73/75/42/1106737542.db2.gz XZBMIZLJOZTRNW-DLBZAZTESA-N 2 0 331.504 2.226 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001480619365 1106779535 /nfs/dbraw/zinc/77/95/35/1106779535.db2.gz UFKFHIFRWZCRPJ-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)sc1C ZINC001498088036 1106905939 /nfs/dbraw/zinc/90/59/39/1106905939.db2.gz WLWGBTUIHZPKGN-LBPRGKRZSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001480723782 1106971448 /nfs/dbraw/zinc/97/14/48/1106971448.db2.gz DIZAVGXKVVZAMY-FGTMMUONSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccnc1 ZINC001480777360 1107099624 /nfs/dbraw/zinc/09/96/24/1107099624.db2.gz VKEORGDYZIDQDW-WMZOPIPTSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001480833337 1107230438 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ZINC001499107327 1108599696 /nfs/dbraw/zinc/59/96/96/1108599696.db2.gz QJXLIYLDSNIBCJ-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP COC(=O)C1=C(C)O[C@@H](CN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)C1 ZINC001460976527 1110331104 /nfs/dbraw/zinc/33/11/04/1110331104.db2.gz PHYMOCYHZQJJIU-LZQZEXGQSA-N 2 0 334.460 2.030 10 0 EEAERP C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(C[NH+]4CCCC4)o3)C[C@]2(C)C1 ZINC001470674144 1110509872 /nfs/dbraw/zinc/50/98/72/1110509872.db2.gz KMPWJZOYKLFBSN-OALUTQOASA-N 2 0 331.460 2.289 10 0 EEAERP C[Si](C)(C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001473876571 1110583310 /nfs/dbraw/zinc/58/33/10/1110583310.db2.gz NXVKOZHQWCAZDI-UHFFFAOYSA-N 2 0 346.591 2.454 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001479313723 1110679832 /nfs/dbraw/zinc/67/98/32/1110679832.db2.gz NKCMWYJVQJPBII-XLAORIBOSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001479399610 1110691141 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327.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCOC)C1 ZINC001500499128 1112890605 /nfs/dbraw/zinc/89/06/05/1112890605.db2.gz SEKIHCOHKQTXBH-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCOCC1 ZINC001500581815 1112954819 /nfs/dbraw/zinc/95/48/19/1112954819.db2.gz IIQJLLCCPZFFLA-QGZVFWFLSA-N 2 0 339.524 2.164 10 0 EEAERP COCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001501063380 1113186274 /nfs/dbraw/zinc/18/62/74/1113186274.db2.gz SHFBPJXEAXBYCJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001501721194 1113449256 /nfs/dbraw/zinc/44/92/56/1113449256.db2.gz YOIFAGMAKOYTQZ-DWRORGKVSA-N 2 0 339.499 2.485 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1)c1ccccc1 ZINC001502086309 1113582458 /nfs/dbraw/zinc/58/24/58/1113582458.db2.gz CAPYJNBZRRAKNN-HKUYNNGSSA-N 2 0 347.503 2.297 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001502441621 1113685544 /nfs/dbraw/zinc/68/55/44/1113685544.db2.gz VVHCZUJXRDHOBU-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)c(C)n1 ZINC001502967893 1113865374 /nfs/dbraw/zinc/86/53/74/1113865374.db2.gz KKDOERGIXJANHN-CRAIPNDOSA-N 2 0 332.492 2.119 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCc2ccccc2)CC[N@@H+]1C ZINC001505431609 1113965142 /nfs/dbraw/zinc/96/51/42/1113965142.db2.gz YZEQWYSLOMYAMI-YZGWKJHDSA-N 2 0 343.515 2.492 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)C/C=C\Cl)CC[N@@H+]1C ZINC001505444159 1113977824 /nfs/dbraw/zinc/97/78/24/1113977824.db2.gz YWJJVIXBQBWYAW-QDAKYZJLSA-N 2 0 327.900 2.392 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]Cc2ccns2)C1 ZINC001505537914 1114039298 /nfs/dbraw/zinc/03/92/98/1114039298.db2.gz PNFURBCYMLDVMB-UHFFFAOYSA-N 2 0 336.505 2.004 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505952666 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ZSQVWRCXYVCRPL-SHTZXODSSA-N 2 0 338.521 2.086 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnccc1C ZINC001507084103 1115099553 /nfs/dbraw/zinc/09/95/53/1115099553.db2.gz XNSNZFYASOFVSF-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ocnc2C)C1 ZINC001507112218 1115114814 /nfs/dbraw/zinc/11/48/14/1115114814.db2.gz HXUIXJQJRVLFFL-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001507346296 1115209264 /nfs/dbraw/zinc/20/92/64/1115209264.db2.gz UDMPKDKNWPKDIF-UXLLHSPISA-N 2 0 331.451 2.139 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2)[NH+](C)C ZINC001507361006 1115221888 /nfs/dbraw/zinc/22/18/88/1115221888.db2.gz YLNABPPPTMPEQC-ZHALLVOQSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCCCF ZINC001507381533 1115240895 /nfs/dbraw/zinc/24/08/95/1115240895.db2.gz IZSXCKJFYAONJA-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001507433244 1115266061 /nfs/dbraw/zinc/26/60/61/1115266061.db2.gz FCWCJBGJNBYFRH-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP CCOCC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001568098472 1124302037 /nfs/dbraw/zinc/30/20/37/1124302037.db2.gz VTEUBMAONLUGQA-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCOC3CCC3)CCCC2)CCC1 ZINC001568236960 1124378344 /nfs/dbraw/zinc/37/83/44/1124378344.db2.gz IRUHHVFBEGQIQV-UHFFFAOYSA-N 2 0 337.508 2.058 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)CC1 ZINC001568396526 1124467023 /nfs/dbraw/zinc/46/70/23/1124467023.db2.gz HENLFJMSXHTVFH-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001568412140 1124481328 /nfs/dbraw/zinc/48/13/28/1124481328.db2.gz OCSKIVAEXXOTMW-SJORKVTESA-N 2 0 349.523 2.075 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001568470082 1124529871 /nfs/dbraw/zinc/52/98/71/1124529871.db2.gz HCDVEYAQZWCMFT-OAHLLOKOSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568708528 1124725503 /nfs/dbraw/zinc/72/55/03/1124725503.db2.gz JDJDSIZWGWSSIW-ZBFHGGJFSA-N 2 0 329.444 2.369 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(OC)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568753848 1124767111 /nfs/dbraw/zinc/76/71/11/1124767111.db2.gz KGSBNOLSMIPDFI-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001569058484 1125071110 /nfs/dbraw/zinc/07/11/10/1125071110.db2.gz GNPPORDJOLPVDM-YQVWRLOYSA-N 2 0 331.504 2.362 10 0 EEAERP CN(CC[NH+]1CCCC1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000063050835 214740908 /nfs/dbraw/zinc/74/09/08/214740908.db2.gz ZZNTYWUGSSARLV-HNNXBMFYSA-N 2 0 326.282 2.477 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCCC[C@H]1CCO)c1ccccc1 ZINC000342062981 539831377 /nfs/dbraw/zinc/83/13/77/539831377.db2.gz NNOXMNXQMRTHHY-OALUTQOASA-N 2 0 347.503 2.033 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)CC[NH2+]CC1 ZINC000423080404 240356851 /nfs/dbraw/zinc/35/68/51/240356851.db2.gz SKJXPDZWFLUFDB-MAUKXSAKSA-N 2 0 340.508 2.229 10 0 EEAERP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423102272 240366801 /nfs/dbraw/zinc/36/68/01/240366801.db2.gz DTGZCCVDUQGXRO-WFASDCNBSA-N 2 0 338.883 2.393 10 0 EEAERP Fc1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000422820340 240244639 /nfs/dbraw/zinc/24/46/39/240244639.db2.gz PZMWKAINRJSERB-CWRNSKLLSA-N 2 0 326.387 2.090 10 0 EEAERP CC[NH+](CC)[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000422825759 240247076 /nfs/dbraw/zinc/24/70/76/240247076.db2.gz BAYKNVONTYSVAE-PWRODBHTSA-N 2 0 345.531 2.296 10 0 EEAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)c1 ZINC000422771760 240218883 /nfs/dbraw/zinc/21/88/83/240218883.db2.gz YNTJLBIAZNBEHZ-STEAMIEHSA-N 2 0 333.476 2.006 10 0 EEAERP c1cc(C[NH+]2CCSCC2)cc(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422958452 240308878 /nfs/dbraw/zinc/30/88/78/240308878.db2.gz XWJXCROBRRCYRU-MOPGFXCFSA-N 2 0 347.528 2.414 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422866910 240265519 /nfs/dbraw/zinc/26/55/19/240265519.db2.gz RBWSQJDCZQGVTB-UXHICEINSA-N 2 0 331.504 2.383 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422907504 240286601 /nfs/dbraw/zinc/28/66/01/240286601.db2.gz LKVMHZYHAWEINJ-HUUCEWRRSA-N 2 0 341.446 2.273 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423152503 240385555 /nfs/dbraw/zinc/38/55/55/240385555.db2.gz LQBYIIGJVGNKLI-YESZJQIVSA-N 2 0 340.508 2.349 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC[NH2+]CC1 ZINC000422985808 240317916 /nfs/dbraw/zinc/31/79/16/240317916.db2.gz AIZITDSPUFCHGR-ULQDDVLXSA-N 2 0 340.508 2.229 10 0 EEAERP CCC(CC)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+]1CCCC1 ZINC000236689675 242321909 /nfs/dbraw/zinc/32/19/09/242321909.db2.gz XREWBOFZTSTLBU-HOTGVXAUSA-N 2 0 327.538 2.098 10 0 EEAERP CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000459310644 245073769 /nfs/dbraw/zinc/07/37/69/245073769.db2.gz VYQXQGKTNRYZGT-ZYGVUQDESA-N 2 0 348.535 2.373 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000424631764 285248298 /nfs/dbraw/zinc/24/82/98/285248298.db2.gz AXSKVYMDXZWALY-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000271733075 256239033 /nfs/dbraw/zinc/23/90/33/256239033.db2.gz YWYVXZZXNYIBDR-OALUTQOASA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000173893388 152206588 /nfs/dbraw/zinc/20/65/88/152206588.db2.gz PEFQCXXDDJEGCZ-ROUUACIJSA-N 2 0 334.508 2.154 10 0 EEAERP Cc1ccc2nc(CSCC(=O)N3CCN(C4CC4)CC3)cn2c1 ZINC000127911039 292332857 /nfs/dbraw/zinc/33/28/57/292332857.db2.gz VEARCIUGCVAPEK-UHFFFAOYSA-N 2 0 344.484 2.183 10 0 EEAERP O=C(C[N@@H+]1CCCc2ccccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000106887298 159323249 /nfs/dbraw/zinc/32/32/49/159323249.db2.gz KIBVXLYUBMPRIZ-UHFFFAOYSA-N 2 0 327.472 2.178 10 0 EEAERP CC(C)c1noc([C@H](C)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000245420225 160234406 /nfs/dbraw/zinc/23/44/06/160234406.db2.gz HIJDKFMHLQQMBH-JKSUJKDBSA-N 2 0 335.496 2.356 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246172241 160265793 /nfs/dbraw/zinc/26/57/93/160265793.db2.gz LGOJLWJPWKIJFK-KSZLIROESA-N 2 0 336.524 2.375 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246527675 160283983 /nfs/dbraw/zinc/28/39/83/160283983.db2.gz XRFVPWGVBRNTFG-OTWHNJEPSA-N 2 0 344.503 2.037 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246789626 160294673 /nfs/dbraw/zinc/29/46/73/160294673.db2.gz REZDMLHIMNNZOO-RTBURBONSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000339623126 160855555 /nfs/dbraw/zinc/85/55/55/160855555.db2.gz WVYWRNAFSSANFO-OALUTQOASA-N 2 0 346.519 2.458 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CN(C)C[C@H]3C)CC2)c1 ZINC000343190480 161111557 /nfs/dbraw/zinc/11/15/57/161111557.db2.gz FPIGKQIMHHSTST-CTNGQTDRSA-N 2 0 344.547 2.437 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C[S@](C)=O)CC1 ZINC000344296837 161215160 /nfs/dbraw/zinc/21/51/60/161215160.db2.gz NNZPEDSCUSXEHK-HJPURHCSSA-N 2 0 337.533 2.075 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000355018259 163052176 /nfs/dbraw/zinc/05/21/76/163052176.db2.gz OTRMJUYWGIMODI-SFHVURJKSA-N 2 0 332.492 2.236 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000360853782 164391092 /nfs/dbraw/zinc/39/10/92/164391092.db2.gz AFMHCVQXOGBIJD-UHFFFAOYSA-N 2 0 334.464 2.185 10 0 EEAERP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[NH+]2CCC1CC2 ZINC000375219407 167090706 /nfs/dbraw/zinc/09/07/06/167090706.db2.gz RGLVVTMDXLBMQL-UHFFFAOYSA-N 2 0 334.508 2.131 10 0 EEAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376489625 167336609 /nfs/dbraw/zinc/33/66/09/167336609.db2.gz CZXIQSKXQSUFQN-BFWZDYSYSA-N 2 0 334.508 2.272 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193783995 268617979 /nfs/dbraw/zinc/61/79/79/268617979.db2.gz WQTZBUSVXVPJNU-SFHVURJKSA-N 2 0 336.524 2.236 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000247986270 277166061 /nfs/dbraw/zinc/16/60/61/277166061.db2.gz IGVQUZSJUGVMAJ-QYZOEREBSA-N 2 0 342.487 2.312 10 0 EEAERP CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000445895945 277885113 /nfs/dbraw/zinc/88/51/13/277885113.db2.gz WOOQRBUQBCXGBD-AWEZNQCLSA-N 2 0 335.414 2.296 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000157902170 279431281 /nfs/dbraw/zinc/43/12/81/279431281.db2.gz DAYUAEVLQWBVNY-GOSISDBHSA-N 2 0 334.508 2.141 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1 ZINC000249121004 295303122 /nfs/dbraw/zinc/30/31/22/295303122.db2.gz PVSATTCHMNCFGJ-JFIYKMOQSA-N 2 0 330.476 2.070 10 0 EEAERP COc1cccc([C@H](CNC(=O)c2ccccc2CC[NH3+])[NH+](C)C)c1 ZINC000327182625 311604795 /nfs/dbraw/zinc/60/47/95/311604795.db2.gz BBUGXFKNLHKXNZ-IBGZPJMESA-N 2 0 341.455 2.229 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000333840706 312204361 /nfs/dbraw/zinc/20/43/61/312204361.db2.gz OERLGHUFAXYYGL-KZNAEPCWSA-N 2 0 336.524 2.411 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414294937 312992906 /nfs/dbraw/zinc/99/29/06/312992906.db2.gz CLJFPYFHUCOFGC-INIZCTEOSA-N 2 0 328.460 2.098 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000414736596 313072786 /nfs/dbraw/zinc/07/27/86/313072786.db2.gz MYLGYMCJYFLIER-MRXNPFEDSA-N 2 0 345.491 2.044 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000416839778 313331166 /nfs/dbraw/zinc/33/11/66/313331166.db2.gz KHKOVVMMKGLLBQ-GBESFXJTSA-N 2 0 344.503 2.463 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000416891364 313350917 /nfs/dbraw/zinc/35/09/17/313350917.db2.gz URAINESFTDLHFP-MAUKXSAKSA-N 2 0 332.492 2.326 10 0 EEAERP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416893539 313352109 /nfs/dbraw/zinc/35/21/09/313352109.db2.gz LRPGRAKEZYJJEY-QGZVFWFLSA-N 2 0 344.503 2.471 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000416973006 313378308 /nfs/dbraw/zinc/37/83/08/313378308.db2.gz TWKIVLCXODUKSE-PMPSAXMXSA-N 2 0 332.492 2.453 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417525825 313532983 /nfs/dbraw/zinc/53/29/83/313532983.db2.gz BRYBEIJEQGHHPA-IAGOWNOFSA-N 2 0 347.507 2.123 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)ccc1F ZINC000417660961 313558786 /nfs/dbraw/zinc/55/87/86/313558786.db2.gz ODYSKKSEVCVGKY-GOSISDBHSA-N 2 0 344.434 2.387 10 0 EEAERP CCC1(CNC(=O)NCCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417924521 313651814 /nfs/dbraw/zinc/65/18/14/313651814.db2.gz MMANWZYRBISPRI-UHFFFAOYSA-N 2 0 332.492 2.327 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000515220926 316472204 /nfs/dbraw/zinc/47/22/04/316472204.db2.gz IQFNHYKUMUXXKI-LPHOPBHVSA-N 2 0 344.503 2.470 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC000525620639 317063950 /nfs/dbraw/zinc/06/39/50/317063950.db2.gz CFXRLDLXEKIZLO-NZSAHSFTSA-N 2 0 344.503 2.235 10 0 EEAERP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528443459 317388097 /nfs/dbraw/zinc/38/80/97/317388097.db2.gz PYKMBKXTXDZYSN-GOSISDBHSA-N 2 0 326.525 2.486 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000528457213 317392128 /nfs/dbraw/zinc/39/21/28/317392128.db2.gz PDUYHXLTUCZZQM-BHIYHBOVSA-N 2 0 332.488 2.153 10 0 EEAERP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000560527892 318800913 /nfs/dbraw/zinc/80/09/13/318800913.db2.gz GIWLGXYMBVMGNI-ZWKOTPCHSA-N 2 0 331.508 2.403 10 0 EEAERP C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000563113396 318973499 /nfs/dbraw/zinc/97/34/99/318973499.db2.gz PZVVOICGBOOBSC-KYNGSXCRSA-N 2 0 347.478 2.495 10 0 EEAERP CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000566121671 319248165 /nfs/dbraw/zinc/24/81/65/319248165.db2.gz MISWJZDLALMKDU-MOPGFXCFSA-N 2 0 332.488 2.276 10 0 EEAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000572512426 319853244 /nfs/dbraw/zinc/85/32/44/319853244.db2.gz SPTPDRNYLQTUSY-IBGZPJMESA-N 2 0 346.446 2.459 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000572974609 319894422 /nfs/dbraw/zinc/89/44/22/319894422.db2.gz BULSBYCTLBZQRB-QFBILLFUSA-N 2 0 344.503 2.257 10 0 EEAERP C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000575178542 320093408 /nfs/dbraw/zinc/09/34/08/320093408.db2.gz HBTUMDGBMQUTMC-YOEHRIQHSA-N 2 0 332.492 2.230 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000576639787 320191058 /nfs/dbraw/zinc/19/10/58/320191058.db2.gz LUOGLCPZGKKTSR-SQNIBIBYSA-N 2 0 333.451 2.343 10 0 EEAERP C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000358320454 465056990 /nfs/dbraw/zinc/05/69/90/465056990.db2.gz POSRCWVGQSPPJP-DFFLPILJSA-N 2 0 326.506 2.435 10 0 EEAERP Cc1ccc(NCCCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nc1 ZINC000341370978 465134182 /nfs/dbraw/zinc/13/41/82/465134182.db2.gz XYHDEHZUWSFSEK-CALCHBBNSA-N 2 0 347.507 2.754 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000568212716 468298570 /nfs/dbraw/zinc/29/85/70/468298570.db2.gz HUWAONUGIUTQMC-GDBMZVCRSA-N 2 0 337.895 2.443 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000075602801 462737540 /nfs/dbraw/zinc/73/75/40/462737540.db2.gz YUFQTZNTFCHNQN-UHFFFAOYSA-N 2 0 333.407 2.275 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000065675181 462817931 /nfs/dbraw/zinc/81/79/31/462817931.db2.gz BOULVVXUZYRUSP-IRXDYDNUSA-N 2 0 347.503 2.477 10 0 EEAERP C[C@@H](C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000066853312 462936729 /nfs/dbraw/zinc/93/67/29/462936729.db2.gz LZFPOSLZHRELFP-INIZCTEOSA-N 2 0 329.488 2.465 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170834308 463718300 /nfs/dbraw/zinc/71/83/00/463718300.db2.gz DJGLNTBPSDQCRT-IBGZPJMESA-N 2 0 344.503 2.244 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000195122340 463995223 /nfs/dbraw/zinc/99/52/23/463995223.db2.gz JPKRCCZVNYCBFO-ZWKOTPCHSA-N 2 0 332.492 2.463 10 0 EEAERP C[C@H]1CCCC[C@@H]1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314066 463998979 /nfs/dbraw/zinc/99/89/79/463998979.db2.gz ZJYUAXCPMWWXCA-NQYYFHDYSA-N 2 0 329.488 2.356 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279151099 464046076 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344.503 2.470 10 0 EEAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OCC(=O)OC)cc1 ZINC000593318903 468937525 /nfs/dbraw/zinc/93/75/25/468937525.db2.gz SAFPOGFOQQZGAB-UHFFFAOYSA-N 2 0 328.412 2.248 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000629529583 469572923 /nfs/dbraw/zinc/57/29/23/469572923.db2.gz HPKAXIXGONSAIO-AWEZNQCLSA-N 2 0 343.265 2.488 10 0 EEAERP COc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1OC1CC1 ZINC000623356949 469633978 /nfs/dbraw/zinc/63/39/78/469633978.db2.gz PYEBDXSXFPZQTQ-UHFFFAOYSA-N 2 0 347.503 2.354 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626940192 469763297 /nfs/dbraw/zinc/76/32/97/469763297.db2.gz UTJVZXZIFIWZBP-FGTMMUONSA-N 2 0 330.476 2.091 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000620192924 469784820 /nfs/dbraw/zinc/78/48/20/469784820.db2.gz WRELPNFNYHXTJB-RBUKOAKNSA-N 2 0 341.499 2.357 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009258 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2.382 10 0 EEAERP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)OCO2 ZINC000650723884 470950531 /nfs/dbraw/zinc/95/05/31/470950531.db2.gz VIXKZACLCCNPDA-ZMSDIMECSA-N 2 0 348.443 2.285 10 0 EEAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647789575 470985100 /nfs/dbraw/zinc/98/51/00/470985100.db2.gz HJYQLYSNZAWYJF-VSZNYVQBSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCC1C[NH2+]C1 ZINC000638387462 471070995 /nfs/dbraw/zinc/07/09/95/471070995.db2.gz USUUYLSAXQECFL-GVDBMIGSSA-N 2 0 329.488 2.496 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654560963 471071872 /nfs/dbraw/zinc/07/18/72/471071872.db2.gz XSMYJHZCCFHMSU-CAOSSQGBSA-N 2 0 336.480 2.348 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCNC2=O)CC1 ZINC000657276327 471082357 /nfs/dbraw/zinc/08/23/57/471082357.db2.gz AUYLHZIUOJBBFZ-FUHWJXTLSA-N 2 0 329.488 2.198 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)C[C@H]1C ZINC000651193514 471085168 /nfs/dbraw/zinc/08/51/68/471085168.db2.gz ZAPLKNGXNVDYQP-IAGOWNOFSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ncc(Br)s1 ZINC000657572579 471172084 /nfs/dbraw/zinc/17/20/84/471172084.db2.gz BQYBJJMIZUGVDV-NSHDSACASA-N 2 0 349.342 2.267 10 0 EEAERP CC(C)n1cncc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657594843 471179741 /nfs/dbraw/zinc/17/97/41/471179741.db2.gz DDVOLELXACBCKX-LJQANCHMSA-N 2 0 328.460 2.320 10 0 EEAERP CC(C)Cn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597574 471181332 /nfs/dbraw/zinc/18/13/32/471181332.db2.gz UZKUNTIUORJVPH-FQEVSTJZSA-N 2 0 342.487 2.396 10 0 EEAERP NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652338128 471273809 /nfs/dbraw/zinc/27/38/09/471273809.db2.gz FNXJCPPNWGSSTE-UHFFFAOYSA-N 2 0 349.478 2.351 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)C1 ZINC000652347749 471275940 /nfs/dbraw/zinc/27/59/40/471275940.db2.gz KRUYKWJKSOBRTO-QWFCFKBJSA-N 2 0 348.487 2.300 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652616971 471314560 /nfs/dbraw/zinc/31/45/60/471314560.db2.gz KGVORJBEAXDQEO-INIZCTEOSA-N 2 0 328.420 2.263 10 0 EEAERP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655467012 471338443 /nfs/dbraw/zinc/33/84/43/471338443.db2.gz CBTKCPGKHOCAHR-HBFSDRIKSA-N 2 0 327.472 2.109 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660448679 471346728 /nfs/dbraw/zinc/34/67/28/471346728.db2.gz HEMXEFCPFMIPQP-QAPCUYQASA-N 2 0 330.476 2.025 10 0 EEAERP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2NCc2nc3c(s2)C[NH2+]CC3)c1 ZINC000663495668 471399876 /nfs/dbraw/zinc/39/98/76/471399876.db2.gz ANWLBDQANDCHMN-HOCLYGCPSA-N 2 0 346.475 2.163 10 0 EEAERP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000655709356 471451146 /nfs/dbraw/zinc/45/11/46/471451146.db2.gz XNCMDTBEWCIHIH-SJORKVTESA-N 2 0 349.548 2.253 10 0 EEAERP C[C@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C[NH+]1CCCC1 ZINC000669395518 471476496 /nfs/dbraw/zinc/47/64/96/471476496.db2.gz LEWXHZMRHRHCOL-UABJAZSOSA-N 2 0 348.535 2.171 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000655805764 471489398 /nfs/dbraw/zinc/48/93/98/471489398.db2.gz RZPAHQDAAAPQEV-IZBJGVDFSA-N 2 0 331.504 2.378 10 0 EEAERP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653119351 471497928 /nfs/dbraw/zinc/49/79/28/471497928.db2.gz GRPRFWFXTBHWTG-QZTJIDSGSA-N 2 0 331.460 2.486 10 0 EEAERP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653145427 471506784 /nfs/dbraw/zinc/50/67/84/471506784.db2.gz VIELVJPVCUBROQ-QXCFHYIPSA-N 2 0 345.462 2.166 10 0 EEAERP CCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663784850 471517484 /nfs/dbraw/zinc/51/74/84/471517484.db2.gz XGLNZGYELAKEST-ZACQAIPSSA-N 2 0 338.540 2.479 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000669540726 471541890 /nfs/dbraw/zinc/54/18/90/471541890.db2.gz KUQFWYCMBIKJPK-UHFFFAOYSA-N 2 0 330.476 2.209 10 0 EEAERP [NH3+]C1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC2(CCC2)C1 ZINC000659288429 471568502 /nfs/dbraw/zinc/56/85/02/471568502.db2.gz XBIJRCRDPORLOG-UHFFFAOYSA-N 2 0 349.519 2.047 10 0 EEAERP CC(C)Cc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+](C)C)cc1 ZINC000669587058 471569164 /nfs/dbraw/zinc/56/91/64/471569164.db2.gz ZSFIUXFKTJOYKK-OOFWQKGWSA-N 2 0 332.492 2.302 10 0 EEAERP CC(C)Cc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])[NH+](C)C)cc1 ZINC000669587060 471569849 /nfs/dbraw/zinc/56/98/49/471569849.db2.gz ZSFIUXFKTJOYKK-XFHJGTJQSA-N 2 0 332.492 2.302 10 0 EEAERP CC(C)Oc1cccc(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000667185126 471685172 /nfs/dbraw/zinc/68/51/72/471685172.db2.gz HLDSAXDDGKISDS-UHFFFAOYSA-N 2 0 336.480 2.479 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000659606831 471697558 /nfs/dbraw/zinc/69/75/58/471697558.db2.gz VWTGPJUNNUQHAB-APWZRJJASA-N 2 0 344.503 2.375 10 0 EEAERP O=C(NCC12CC(C1)C[NH2+]2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659620815 471701979 /nfs/dbraw/zinc/70/19/79/471701979.db2.gz QQANVKFMVUKALE-UHFFFAOYSA-N 2 0 334.508 2.036 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000659909115 471788938 /nfs/dbraw/zinc/78/89/38/471788938.db2.gz INQJGPXRCMPMTE-VAMGGRTRSA-N 2 0 336.568 2.066 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000667825525 471920358 /nfs/dbraw/zinc/92/03/58/471920358.db2.gz FKRBIUUCRVISCK-LBPRGKRZSA-N 2 0 330.354 2.380 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667888933 471939488 /nfs/dbraw/zinc/93/94/88/471939488.db2.gz LJDQYROBKOTJQX-ICSRJNTNSA-N 2 0 330.472 2.300 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654396720 471942105 /nfs/dbraw/zinc/94/21/05/471942105.db2.gz LBHPFRVACJOUMX-FPAYPSAMSA-N 2 0 344.503 2.461 10 0 EEAERP O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668010890 471978103 /nfs/dbraw/zinc/97/81/03/471978103.db2.gz LZEKPRXNSVTSIA-HXUWFJFHSA-N 2 0 345.406 2.363 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000665288919 471991258 /nfs/dbraw/zinc/99/12/58/471991258.db2.gz AWROYEHUMMGHFV-NVXWUHKLSA-N 2 0 327.488 2.485 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665366011 472021741 /nfs/dbraw/zinc/02/17/41/472021741.db2.gz PSTFHLGLJZPTEM-KRWDZBQOSA-N 2 0 347.507 2.028 10 0 EEAERP CC(C)CCOCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336786 472076692 /nfs/dbraw/zinc/07/66/92/472076692.db2.gz GQHYPBRMHUGCFM-QGZVFWFLSA-N 2 0 349.523 2.061 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662524859 472138662 /nfs/dbraw/zinc/13/86/62/472138662.db2.gz BGCZUPQETVDOCP-ZWKOTPCHSA-N 2 0 333.476 2.082 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000662660493 472193107 /nfs/dbraw/zinc/19/31/07/472193107.db2.gz FKGZNIRQSQHJSW-AQNXPRMDSA-N 2 0 341.499 2.292 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000662711077 472219170 /nfs/dbraw/zinc/21/91/70/472219170.db2.gz KQRDQWOLSBGRAN-ZWKOTPCHSA-N 2 0 327.472 2.157 10 0 EEAERP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662716367 472220393 /nfs/dbraw/zinc/22/03/93/472220393.db2.gz SEGPIQPPZXJBDJ-IBGZPJMESA-N 2 0 341.499 2.405 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000668678210 472221394 /nfs/dbraw/zinc/22/13/94/472221394.db2.gz LRWGCTKUMGAQIH-MJSXRHKHSA-N 2 0 336.867 2.291 10 0 EEAERP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000678769484 485497051 /nfs/dbraw/zinc/49/70/51/485497051.db2.gz FRHVPMPONUIELT-GOEBONIOSA-N 2 0 335.473 2.117 10 0 EEAERP COC(=O)c1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600759340 485627007 /nfs/dbraw/zinc/62/70/07/485627007.db2.gz OIXPWXGIFIISTE-QGZVFWFLSA-N 2 0 332.444 2.064 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](OC)C3)cn2)CC1 ZINC000684370564 485861380 /nfs/dbraw/zinc/86/13/80/485861380.db2.gz YFHPATSXFYUTTI-QZTJIDSGSA-N 2 0 332.492 2.271 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000416126341 534417205 /nfs/dbraw/zinc/41/72/05/534417205.db2.gz DPVVGKJJFJPQFE-MOPGFXCFSA-N 2 0 327.472 2.178 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899167 534657684 /nfs/dbraw/zinc/65/76/84/534657684.db2.gz UYTQNIVYUZHVPB-IBGZPJMESA-N 2 0 342.487 2.272 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115828012 535221307 /nfs/dbraw/zinc/22/13/07/535221307.db2.gz SKIKPHJBRURRRI-UHFFFAOYSA-N 2 0 338.471 2.418 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000758263197 577620408 /nfs/dbraw/zinc/62/04/08/577620408.db2.gz UJTXQJVOFAXGOZ-DLBZAZTESA-N 2 0 348.560 2.484 10 0 EEAERP CC(C)C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)C(=O)NCC[NH+](C)C ZINC000925952839 674811444 /nfs/dbraw/zinc/81/14/44/674811444.db2.gz KOIZSJSLCKCQPR-WUJZJPHMSA-N 2 0 339.524 2.016 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)C2)C1 ZINC000292057297 678645848 /nfs/dbraw/zinc/64/58/48/678645848.db2.gz CELXMRMDRFXAQN-TYPHKJRUSA-N 2 0 344.499 2.469 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261738509 681780829 /nfs/dbraw/zinc/78/08/29/681780829.db2.gz IELWRLPNANDHFP-LEWJYISDSA-N 3 0 345.531 2.363 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)[C@@H](C)O ZINC000894904075 683378018 /nfs/dbraw/zinc/37/80/18/683378018.db2.gz DNVNOUNIUVCNDU-MFKMUULPSA-N 2 0 330.375 2.319 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485506170 1191819153 /nfs/dbraw/zinc/81/91/53/1191819153.db2.gz LBSBXZZDWKLOQW-WCQYABFASA-N 2 0 341.393 2.055 10 0 EEAERP CC1(C)C[N@H+](CCCCCF)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001485582566 1191848790 /nfs/dbraw/zinc/84/87/90/1191848790.db2.gz RERYDVAVYQZXJC-HNNXBMFYSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1cnc(CNCCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001485721965 1191909499 /nfs/dbraw/zinc/90/94/99/1191909499.db2.gz ATICZYNSJDBCFK-GOEBONIOSA-N 2 0 336.480 2.230 10 0 EEAERP Cc1cnc(CNCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001485721966 1191909632 /nfs/dbraw/zinc/90/96/32/1191909632.db2.gz ATICZYNSJDBCFK-HOCLYGCPSA-N 2 0 336.480 2.230 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001485765635 1191939735 /nfs/dbraw/zinc/93/97/35/1191939735.db2.gz MTDIOSLZLIQISJ-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccccc1[C@H](C)[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001485770854 1191943654 /nfs/dbraw/zinc/94/36/54/1191943654.db2.gz SYFYCSPPFMDBCE-HKUYNNGSSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)(C(=O)N[C@@H](C[NH2+]CCCF)C1CCCC1)[NH+]1CCCC1 ZINC001671549128 1176938852 /nfs/dbraw/zinc/93/88/52/1176938852.db2.gz SOKAZQFTALVRAE-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266753006 1177354582 /nfs/dbraw/zinc/35/45/82/1177354582.db2.gz YYPASFAFIGGRQW-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001266826126 1177498572 /nfs/dbraw/zinc/49/85/72/1177498572.db2.gz NRINBLNFNOPHFU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001691103464 1177581308 /nfs/dbraw/zinc/58/13/08/1177581308.db2.gz YWQUWHRWDLUGAW-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001691161432 1177659819 /nfs/dbraw/zinc/65/98/19/1177659819.db2.gz KEISMUUZTXZXHU-SHTZXODSSA-N 2 0 338.883 2.061 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001691173988 1177673692 /nfs/dbraw/zinc/67/36/92/1177673692.db2.gz NXVBVWUYCLCYFQ-SBSDFTTDSA-N 2 0 327.900 2.443 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001691321525 1177908758 /nfs/dbraw/zinc/90/87/58/1177908758.db2.gz ARSVIWRIXAYNBR-QGZVFWFLSA-N 2 0 333.451 2.024 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691403101 1178012153 /nfs/dbraw/zinc/01/21/53/1178012153.db2.gz XZTHKDOHGOIMMR-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CCc3ccc(Cl)cc3)C2)C1 ZINC001267068959 1178184602 /nfs/dbraw/zinc/18/46/02/1178184602.db2.gz MCVIKZHQUASDNI-SJORKVTESA-N 2 0 349.906 2.272 10 0 EEAERP CC(C)COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001267071558 1178190134 /nfs/dbraw/zinc/19/01/34/1178190134.db2.gz HZYVVZLYSOILAT-SFHVURJKSA-N 2 0 347.503 2.221 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cnc(-c2ccccc2)o1)[NH+](C)C ZINC001267390665 1178956688 /nfs/dbraw/zinc/95/66/88/1178956688.db2.gz SCXJBPRXIMFWOC-QGZVFWFLSA-N 2 0 344.459 2.230 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001267436888 1179009901 /nfs/dbraw/zinc/00/99/01/1179009901.db2.gz OEYLTISFIVXRAV-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1c(C)nsc1C ZINC001480982567 1179421554 /nfs/dbraw/zinc/42/15/54/1179421554.db2.gz AIJVAYLXDNRCEZ-MRXNPFEDSA-N 2 0 338.521 2.182 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)o1 ZINC001481250189 1180469772 /nfs/dbraw/zinc/46/97/72/1180469772.db2.gz OCGYZSNUMMVXGS-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCF)[C@H](C)C2)CC1 ZINC001496361083 1180535355 /nfs/dbraw/zinc/53/53/55/1180535355.db2.gz NPFQELWDOYXFEM-WBVHZDCISA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001267908448 1180744032 /nfs/dbraw/zinc/74/40/32/1180744032.db2.gz DZEIAVUKGCHFHV-ROUUACIJSA-N 2 0 339.499 2.295 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cscn2)CC1)[NH+](C)C ZINC001267917286 1180762031 /nfs/dbraw/zinc/76/20/31/1180762031.db2.gz ATARUHDAIUROJK-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCc1ccccc1Cl)[NH+](C)C ZINC001481303838 1180969728 /nfs/dbraw/zinc/96/97/28/1180969728.db2.gz CJGGIRTXUYBGGF-INIZCTEOSA-N 2 0 325.884 2.271 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001481405505 1181229550 /nfs/dbraw/zinc/22/95/50/1181229550.db2.gz IEDGOQMSPCZAOM-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481434530 1181331182 /nfs/dbraw/zinc/33/11/82/1181331182.db2.gz AUKLGEGXJKMWSA-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063219 1181649844 /nfs/dbraw/zinc/64/98/44/1181649844.db2.gz JHUDSEJYWXNMBX-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCc1cccs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268115907 1181761900 /nfs/dbraw/zinc/76/19/00/1181761900.db2.gz CMLNTQHHYGWLMG-HZPDHXFCSA-N 2 0 337.533 2.363 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268175411 1181954021 /nfs/dbraw/zinc/95/40/21/1181954021.db2.gz DUFSRWIJGGYJBK-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC001268378402 1182398209 /nfs/dbraw/zinc/39/82/09/1182398209.db2.gz WCDIBWQZLNNYMF-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]C[C@H](OC)c1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451577 1182646886 /nfs/dbraw/zinc/64/68/86/1182646886.db2.gz LYFZUYFSPYQOQE-QRQLOZEOSA-N 2 0 347.503 2.152 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C)nc1C ZINC001481813105 1182727987 /nfs/dbraw/zinc/72/79/87/1182727987.db2.gz WTLIOVJJNUSXIE-KBAYOESNSA-N 2 0 332.492 2.023 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(C)ccc1F ZINC001481869115 1182842169 /nfs/dbraw/zinc/84/21/69/1182842169.db2.gz IQFPCKFXPXJLLI-INIZCTEOSA-N 2 0 333.451 2.214 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCCCCF)CC2)C1 ZINC001482008500 1183132189 /nfs/dbraw/zinc/13/21/89/1183132189.db2.gz VUMXHKHSYHCWSD-QGZVFWFLSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001268540034 1183203672 /nfs/dbraw/zinc/20/36/72/1183203672.db2.gz ZBUOIIYXGSDVFI-YNZYUUBUSA-N 2 0 341.499 2.141 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482173190 1183500036 /nfs/dbraw/zinc/50/00/36/1183500036.db2.gz HFEKRGZVZJYFES-APWZRJJASA-N 2 0 346.519 2.352 10 0 EEAERP Cc1ccccc1CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268624849 1183547099 /nfs/dbraw/zinc/54/70/99/1183547099.db2.gz HVORNTILYIZUTJ-SFFCAUCYSA-N 2 0 329.488 2.141 10 0 EEAERP COCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268743894 1183660750 /nfs/dbraw/zinc/66/07/50/1183660750.db2.gz XCWDVHRBRYGFIJ-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268911710 1183813203 /nfs/dbraw/zinc/81/32/03/1183813203.db2.gz MAYTXBDFGSZARU-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(N[C@H](C[NH2+]CCC1CCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269071069 1183938931 /nfs/dbraw/zinc/93/89/31/1183938931.db2.gz BCPPXERTDDXJQL-RTBURBONSA-N 2 0 333.520 2.393 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCc3ccccc3Cl)CC2)C1 ZINC001269535486 1184361340 /nfs/dbraw/zinc/36/13/40/1184361340.db2.gz NXVFZYAKGFJYAZ-INIZCTEOSA-N 2 0 349.906 2.463 10 0 EEAERP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001482238325 1184526547 /nfs/dbraw/zinc/52/65/47/1184526547.db2.gz OAWBXDWLNNHTSY-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001269711526 1184543402 /nfs/dbraw/zinc/54/34/02/1184543402.db2.gz KVOOTVLUSHLGKK-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001270051354 1184812638 /nfs/dbraw/zinc/81/26/38/1184812638.db2.gz VIFOUFDZBACCEF-WMZOPIPTSA-N 2 0 337.508 2.009 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001270260959 1184969094 /nfs/dbraw/zinc/96/90/94/1184969094.db2.gz JPLOBTNNMWJLGM-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCOc1ccccc1 ZINC001482285094 1185067294 /nfs/dbraw/zinc/06/72/94/1185067294.db2.gz UPOLKSHTSRQDPI-IEBWSBKVSA-N 2 0 347.503 2.375 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482324322 1185369907 /nfs/dbraw/zinc/36/99/07/1185369907.db2.gz VAYUCFONXGLKAA-OAHLLOKOSA-N 2 0 335.467 2.147 10 0 EEAERP C[C@]1(C[NH2+]CCCF)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001270752833 1185370484 /nfs/dbraw/zinc/37/04/84/1185370484.db2.gz QBJLMGCUBAWZEJ-GOSISDBHSA-N 2 0 345.422 2.069 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001482331736 1185417243 /nfs/dbraw/zinc/41/72/43/1185417243.db2.gz UBSOUTJPMGVBAN-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482339021 1185437324 /nfs/dbraw/zinc/43/73/24/1185437324.db2.gz MCZJAQVAMBNNTL-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353848 1185490688 /nfs/dbraw/zinc/49/06/88/1185490688.db2.gz LTIHFVSQFFFMAG-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]cnc2C)c1 ZINC001482358632 1185506774 /nfs/dbraw/zinc/50/67/74/1185506774.db2.gz QKUBMMONKATHNR-ZIAGYGMSSA-N 2 0 344.459 2.467 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001482448328 1185795917 /nfs/dbraw/zinc/79/59/17/1185795917.db2.gz IIYXEAYKMAHJPA-TWOXKBRHSA-N 2 0 327.900 2.440 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]Cc1cncs1)C12CC[NH+](CC1)C2 ZINC001482459352 1185918517 /nfs/dbraw/zinc/91/85/17/1185918517.db2.gz XGWFXYSBJQIOQZ-OAHLLOKOSA-N 2 0 348.516 2.100 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001482479877 1186056330 /nfs/dbraw/zinc/05/63/30/1186056330.db2.gz KXLCEYVBVTXGGH-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CCF ZINC001271650528 1186359717 /nfs/dbraw/zinc/35/97/17/1186359717.db2.gz XCQWCUIPJGDYKF-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001271738258 1186446203 /nfs/dbraw/zinc/44/62/03/1186446203.db2.gz GHFNLYYYNUKWOZ-QWHCGFSZSA-N 2 0 336.307 2.474 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CCc2ccccc2F)CC[N@@H+]1C ZINC001482596622 1187297956 /nfs/dbraw/zinc/29/79/56/1187297956.db2.gz AGMATNNKVNDPHW-PKOBYXMFSA-N 2 0 349.494 2.489 10 0 EEAERP Cc1cnc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)o1 ZINC001482663860 1187509502 /nfs/dbraw/zinc/50/95/02/1187509502.db2.gz CJOSSBIAJCNCHH-IRXDYDNUSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]32)oc1C ZINC001482664398 1187516991 /nfs/dbraw/zinc/51/69/91/1187516991.db2.gz FKBYMXRWZNBWSD-IAGOWNOFSA-N 2 0 348.491 2.054 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832077 1187752344 /nfs/dbraw/zinc/75/23/44/1187752344.db2.gz UCERKFIJTDSICB-WMZOPIPTSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482876857 1187796234 /nfs/dbraw/zinc/79/62/34/1187796234.db2.gz LMSMHSPQUDBKBP-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001482890676 1187817601 /nfs/dbraw/zinc/81/76/01/1187817601.db2.gz YEUHFWUMPIZDIL-DOMZBBRYSA-N 2 0 326.510 2.022 10 0 EEAERP CCN(CC[NH2+]C[C@H](OC)c1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001482948281 1187887475 /nfs/dbraw/zinc/88/74/75/1187887475.db2.gz QUJBUCQFAKJVNU-IBGZPJMESA-N 2 0 347.503 2.154 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1cccc(OC)c1)C(=O)C[NH+]1CCCC1 ZINC001482967443 1187904615 /nfs/dbraw/zinc/90/46/15/1187904615.db2.gz RIHCOANIIOUDLL-INIZCTEOSA-N 2 0 333.476 2.290 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2cc(F)cc(F)c2)CCC1 ZINC001483019045 1188006426 /nfs/dbraw/zinc/00/64/26/1188006426.db2.gz UIFGPXDBVUKFBS-ONEGZZNKSA-N 2 0 337.414 2.211 10 0 EEAERP COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001670933525 1193529348 /nfs/dbraw/zinc/52/93/48/1193529348.db2.gz WUTZPJGFFNHYIL-HQSKLWIPSA-N 2 0 337.508 2.007 10 0 EEAERP CCC[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001483086006 1188449638 /nfs/dbraw/zinc/44/96/38/1188449638.db2.gz HBUQJAAAAGWOPY-PYTPGESOSA-N 2 0 333.451 2.417 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001483098589 1188474534 /nfs/dbraw/zinc/47/45/34/1188474534.db2.gz RULFVKVLGQGCQI-ARJAWSKDSA-N 2 0 330.476 2.028 10 0 EEAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483167986 1189006658 /nfs/dbraw/zinc/00/66/58/1189006658.db2.gz JACGTEOSPVZILI-BDDCHLTRSA-N 2 0 335.879 2.179 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483215323 1189215673 /nfs/dbraw/zinc/21/56/73/1189215673.db2.gz VUCRARKYWUJHHZ-NHYWBVRUSA-N 2 0 327.831 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485838106 1193608414 /nfs/dbraw/zinc/60/84/14/1193608414.db2.gz UADSFEXPFORORO-RBUKOAKNSA-N 2 0 344.503 2.283 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001409355336 1189565575 /nfs/dbraw/zinc/56/55/75/1189565575.db2.gz HXQQSWKXUNTYJM-JKSUJKDBSA-N 2 0 347.503 2.410 10 0 EEAERP CO[C@@H](C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001409572045 1190053973 /nfs/dbraw/zinc/05/39/73/1190053973.db2.gz AHBWWQJLKBEUFK-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC(F)(F)C1 ZINC001409582170 1190069333 /nfs/dbraw/zinc/06/93/33/1190069333.db2.gz WPDKVCAXIWSFCM-ZFWWWQNUSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483402328 1190447975 /nfs/dbraw/zinc/44/79/75/1190447975.db2.gz GCIPCKXVNUTFMW-MRXNPFEDSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@H](C)NC(=O)Cn1ccnc1 ZINC001483427885 1190475186 /nfs/dbraw/zinc/47/51/86/1190475186.db2.gz WEQDZOIMMLMLGK-AWEZNQCLSA-N 2 0 334.851 2.482 10 0 EEAERP CC[C@@H](C[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)OC ZINC001483492544 1190510347 /nfs/dbraw/zinc/51/03/47/1190510347.db2.gz FNZLYEHUCULYNO-YJBOKZPZSA-N 2 0 345.503 2.062 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)c1C ZINC001483510145 1190524523 /nfs/dbraw/zinc/52/45/23/1190524523.db2.gz ZAJPGBGOGRNLSW-UHFFFAOYSA-N 2 0 333.476 2.038 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC001483608028 1190586957 /nfs/dbraw/zinc/58/69/57/1190586957.db2.gz QAFVHEIRGBWSER-IAGOWNOFSA-N 2 0 348.491 2.150 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccc(F)cc2F)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001483734506 1190848482 /nfs/dbraw/zinc/84/84/82/1190848482.db2.gz BDFZTIRAMJTMDJ-INIZCTEOSA-N 2 0 349.425 2.045 10 0 EEAERP C[C@H](C(=O)NC[C@H](O)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001272536882 1190870546 /nfs/dbraw/zinc/87/05/46/1190870546.db2.gz OCWUQHHSVZKBOZ-IAGOWNOFSA-N 2 0 341.540 2.144 10 0 EEAERP COCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001483800710 1191042358 /nfs/dbraw/zinc/04/23/58/1191042358.db2.gz BFDDYOLFHPWOAN-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP COCC[N@H+](CCC(C)C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001483818114 1191046323 /nfs/dbraw/zinc/04/63/23/1191046323.db2.gz IAUAIMKKYXMFCV-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CCN1C(=O)CC[NH+](C)C ZINC001483907411 1191120071 /nfs/dbraw/zinc/12/00/71/1191120071.db2.gz BETLPDMOFIJYPK-WBVHZDCISA-N 2 0 349.523 2.059 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)CCN1C(=O)CC[NH+](C)C ZINC001483908238 1191120354 /nfs/dbraw/zinc/12/03/54/1191120354.db2.gz IUPPBBCHXXCZQA-RDJZCZTQSA-N 2 0 335.467 2.289 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001484111201 1191217303 /nfs/dbraw/zinc/21/73/03/1191217303.db2.gz XMDXRFBGLLRJRA-IBGZPJMESA-N 2 0 344.459 2.108 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF ZINC001484467633 1191372371 /nfs/dbraw/zinc/37/23/71/1191372371.db2.gz MSJQWOPZENXWRV-SJORKVTESA-N 2 0 325.472 2.287 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CCc3ccccc3)C2)CC1 ZINC001484535552 1191399231 /nfs/dbraw/zinc/39/92/31/1191399231.db2.gz LBKJQPAIKNDLJQ-LJQANCHMSA-N 2 0 343.515 2.399 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722907 1191484052 /nfs/dbraw/zinc/48/40/52/1191484052.db2.gz KLCKTGILRNKEGI-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CC(C)[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCOCC1 ZINC001484867208 1191560605 /nfs/dbraw/zinc/56/06/05/1191560605.db2.gz WCYVTBVGBJHHNW-UHFFFAOYSA-N 2 0 339.524 2.304 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001484926133 1191573321 /nfs/dbraw/zinc/57/33/21/1191573321.db2.gz ITRUIISVNPFJPT-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC[C@H]2CCCO2)CC1 ZINC001484922849 1191576677 /nfs/dbraw/zinc/57/66/77/1191576677.db2.gz YGGSWYLHRIXJCB-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001484943239 1191588013 /nfs/dbraw/zinc/58/80/13/1191588013.db2.gz LOHCLDONQJXOHF-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CC[C@@H](C)F)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001485033552 1191625754 /nfs/dbraw/zinc/62/57/54/1191625754.db2.gz LONGAGUPDSYQCT-WBVHZDCISA-N 2 0 327.488 2.247 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@@H]1CCCCO1 ZINC001485077051 1191645072 /nfs/dbraw/zinc/64/50/72/1191645072.db2.gz XRFDYKGQMJUOOE-SJORKVTESA-N 2 0 348.491 2.143 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485161272 1191674609 /nfs/dbraw/zinc/67/46/09/1191674609.db2.gz BIZUOXRVQSWTAJ-HUUCEWRRSA-N 2 0 348.466 2.080 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccns1 ZINC001485193612 1191687521 /nfs/dbraw/zinc/68/75/21/1191687521.db2.gz IBDREAQDDGKDHQ-QWHCGFSZSA-N 2 0 326.510 2.104 10 0 EEAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485215605 1191688628 /nfs/dbraw/zinc/68/86/28/1191688628.db2.gz MLWLOEXUAMEQNY-CABCVRRESA-N 2 0 349.906 2.461 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001485482019 1191809097 /nfs/dbraw/zinc/80/90/97/1191809097.db2.gz IDRWQMQXNQIOBX-KRWDZBQOSA-N 2 0 341.540 2.362 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001486180906 1193717900 /nfs/dbraw/zinc/71/79/00/1193717900.db2.gz KXADJAGOMDHIGD-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691665979 1194302786 /nfs/dbraw/zinc/30/27/86/1194302786.db2.gz OQCYOQXPZPTEJW-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001410378025 1197771922 /nfs/dbraw/zinc/77/19/22/1197771922.db2.gz LMTWQWPEIPAETG-AAEUAGOBSA-N 2 0 334.291 2.084 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145875 1198053176 /nfs/dbraw/zinc/05/31/76/1198053176.db2.gz XXVNLYJETGLQRT-HKUYNNGSSA-N 2 0 346.471 2.500 10 0 EEAERP COCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001410501633 1198056501 /nfs/dbraw/zinc/05/65/01/1198056501.db2.gz SZLCHMCBBOVPQY-AEFFLSMTSA-N 2 0 347.503 2.111 10 0 EEAERP CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156628 1198062197 /nfs/dbraw/zinc/06/21/97/1198062197.db2.gz KNJQNEGQNFRNTL-NVXWUHKLSA-N 2 0 330.538 2.431 10 0 EEAERP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255686 1198114427 /nfs/dbraw/zinc/11/44/27/1198114427.db2.gz KWRUATKHZISTNE-LULLPPNCSA-N 2 0 343.471 2.122 10 0 EEAERP CC(=O)NCC1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000865472382 1198235595 /nfs/dbraw/zinc/23/55/95/1198235595.db2.gz ZVQRODXTSJRVIG-XYCLOBBJSA-N 2 0 339.524 2.160 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)C[C@H]1C[NH+](C)C ZINC000870021949 1200411738 /nfs/dbraw/zinc/41/17/38/1200411738.db2.gz WMWBBGWMGQQCLE-HZPDHXFCSA-N 2 0 347.478 2.055 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000870021645 1200411805 /nfs/dbraw/zinc/41/18/05/1200411805.db2.gz SCVDYILYNJCUEF-PJHKVULZSA-N 2 0 347.478 2.427 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870874327 1200924253 /nfs/dbraw/zinc/92/42/53/1200924253.db2.gz FVCVTDOOWQAPCV-RISCZKNCSA-N 2 0 342.281 2.295 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990010 1200993606 /nfs/dbraw/zinc/99/36/06/1200993606.db2.gz TVWVWOBOHZVRPO-LPHOPBHVSA-N 2 0 339.524 2.003 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000866711265 1201586961 /nfs/dbraw/zinc/58/69/61/1201586961.db2.gz GNYPRAURCWITHP-HPBDAGMYSA-N 2 0 345.418 2.070 10 0 EEAERP CC(C)[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000882391789 1201864584 /nfs/dbraw/zinc/86/45/84/1201864584.db2.gz GAPQSOVJDWYKKW-OALUTQOASA-N 2 0 344.503 2.496 10 0 EEAERP COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000886537188 1202519708 /nfs/dbraw/zinc/51/97/08/1202519708.db2.gz VRXHJQFLTCMZOH-MAUKXSAKSA-N 2 0 346.471 2.075 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCOCC1 ZINC001274007613 1204309433 /nfs/dbraw/zinc/30/94/33/1204309433.db2.gz NOXLMEITPNDXNO-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP CC[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000826678603 1204783821 /nfs/dbraw/zinc/78/38/21/1204783821.db2.gz BYROLVPJAKZRPJ-FUHWJXTLSA-N 2 0 347.503 2.159 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001274318223 1204996168 /nfs/dbraw/zinc/99/61/68/1204996168.db2.gz MJFPNTYQJIGTQK-JXCVUKRWSA-N 2 0 345.462 2.417 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001274578395 1205086015 /nfs/dbraw/zinc/08/60/15/1205086015.db2.gz HYRYDBGRPDJRDW-ZXVCMAMBSA-N 2 0 349.425 2.166 10 0 EEAERP O=C(NC1CC(C[NH2+]CC=C(Cl)Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001275233051 1205286930 /nfs/dbraw/zinc/28/69/30/1205286930.db2.gz MCOJPYGRWHHPJE-UXUKBGGZSA-N 2 0 346.302 2.132 10 0 EEAERP O=C(CCn1ccnc1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001275780644 1205524029 /nfs/dbraw/zinc/52/40/29/1205524029.db2.gz KNJOLLHSPCQLAY-KGLIPLIRSA-N 2 0 346.397 2.490 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC001412434718 1205724395 /nfs/dbraw/zinc/72/43/95/1205724395.db2.gz NAAPFBSQSKGIKO-RTBURBONSA-N 2 0 331.504 2.398 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)C[N@H+](C)C1CCC1 ZINC001276048057 1205751004 /nfs/dbraw/zinc/75/10/04/1205751004.db2.gz LNRWAZXHDKZPIG-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001276195285 1205828550 /nfs/dbraw/zinc/82/85/50/1205828550.db2.gz IKHBBKIFNAWZAU-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]CCCN1CCN(c2cccc(C)c2)CC1 ZINC000924608873 1206003431 /nfs/dbraw/zinc/00/34/31/1206003431.db2.gz FFNIPKKTTILTNY-IBGZPJMESA-N 2 0 347.503 2.248 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cn2)CC1 ZINC000924626570 1206006494 /nfs/dbraw/zinc/00/64/94/1206006494.db2.gz KTAISWFPCLCRSJ-ICSRJNTNSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@@H]1OC[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000924644099 1206009600 /nfs/dbraw/zinc/00/96/00/1206009600.db2.gz SFLBBXKOEZGDLC-UMGGQSCQSA-N 2 0 331.504 2.378 10 0 EEAERP CC1(C)[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925483018 1206118300 /nfs/dbraw/zinc/11/83/00/1206118300.db2.gz ZHPNPCDOTMOKGO-CEXWTWQISA-N 2 0 328.504 2.412 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cn2)CCO1 ZINC000925552361 1206126939 /nfs/dbraw/zinc/12/69/39/1206126939.db2.gz IZFDZZYNSZVVRO-DJIMGWMZSA-N 2 0 332.492 2.302 10 0 EEAERP CCOC(=O)COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925573837 1206130564 /nfs/dbraw/zinc/13/05/64/1206130564.db2.gz REDDHZZFDZVOPR-SJORKVTESA-N 2 0 332.444 2.031 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C12CCC2 ZINC000925672033 1206142363 /nfs/dbraw/zinc/14/23/63/1206142363.db2.gz GHTSGLYPGWDWKS-AGIUHOORSA-N 2 0 333.398 2.179 10 0 EEAERP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[C@H]2N1CCOCC1 ZINC000925709800 1206145241 /nfs/dbraw/zinc/14/52/41/1206145241.db2.gz VXWDFIUQMRCOAP-UAFMIMERSA-N 2 0 347.547 2.388 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[C@@H]([NH3+])C1 ZINC000925712940 1206145601 /nfs/dbraw/zinc/14/56/01/1206145601.db2.gz RLWAUAWZMVEUHK-CEXWTWQISA-N 3 0 331.504 2.249 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1sccc1Br ZINC000925762796 1206151803 /nfs/dbraw/zinc/15/18/03/1206151803.db2.gz OIORPXBJNMYHKP-JBLDHEPKSA-N 2 0 333.295 2.395 10 0 EEAERP c1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925806162 1206155670 /nfs/dbraw/zinc/15/56/70/1206155670.db2.gz YBJSEQCCCPCNGB-VAMGGRTRSA-N 2 0 340.471 2.162 10 0 EEAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809237 1206155879 /nfs/dbraw/zinc/15/58/79/1206155879.db2.gz COAIQWRCLSAXOH-RXVVDRJESA-N 3 0 344.547 2.492 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000925815228 1206157113 /nfs/dbraw/zinc/15/71/13/1206157113.db2.gz PIBBQLYNOVTCHC-IBGZPJMESA-N 2 0 329.488 2.402 10 0 EEAERP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817529 1206157262 /nfs/dbraw/zinc/15/72/62/1206157262.db2.gz PSAXBRVGWZCKQH-HXUWFJFHSA-N 2 0 341.503 2.103 10 0 EEAERP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000925832217 1206158484 /nfs/dbraw/zinc/15/84/84/1206158484.db2.gz BZSTWIMGDNJART-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846938 1206159719 /nfs/dbraw/zinc/15/97/19/1206159719.db2.gz VQGWABBFXXALQS-TZIWHRDSSA-N 2 0 344.547 2.172 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)CC12CC[NH2+]CC2 ZINC000925853770 1206161362 /nfs/dbraw/zinc/16/13/62/1206161362.db2.gz REOWOOZASWEUEW-WBVHZDCISA-N 2 0 346.496 2.292 10 0 EEAERP COc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1F ZINC000925856915 1206161597 /nfs/dbraw/zinc/16/15/97/1206161597.db2.gz OETDQZQSNRXKSH-TZMCWYRMSA-N 2 0 336.407 2.170 10 0 EEAERP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1OCC(=O)N(C)C ZINC000925876743 1206163219 /nfs/dbraw/zinc/16/32/19/1206163219.db2.gz HEDZPLUTNLQMHJ-HLLBOEOZSA-N 2 0 333.476 2.322 10 0 EEAERP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926144976 1206198600 /nfs/dbraw/zinc/19/86/00/1206198600.db2.gz AHLJUFSRFZDSNZ-IAGOWNOFSA-N 2 0 346.500 2.034 10 0 EEAERP COc1ccc2c(c1)C[C@H](C[N@@H+]1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]31)O2 ZINC000930060434 1206532332 /nfs/dbraw/zinc/53/23/32/1206532332.db2.gz MGZRPMJMXILLJL-ZNWBIBPKSA-N 2 0 346.471 2.182 10 0 EEAERP O=S1(=O)CCC[C@@H]1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930076883 1206533268 /nfs/dbraw/zinc/53/32/68/1206533268.db2.gz CEZYNJUUVZPKKP-QGZVFWFLSA-N 2 0 328.522 2.152 10 0 EEAERP C[N@@H+]1CCCC12CCN(C[C@H](O)COc1ccc3cc[nH]c3c1)CC2 ZINC000930171991 1206539237 /nfs/dbraw/zinc/53/92/37/1206539237.db2.gz YIXUVKQWWKEXDO-KRWDZBQOSA-N 2 0 343.471 2.468 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000081737740 1211260280 /nfs/dbraw/zinc/26/02/80/1211260280.db2.gz WWNOSUYCPOADLH-UHFFFAOYSA-N 2 0 348.878 2.454 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902796076 1238552007 /nfs/dbraw/zinc/55/20/07/1238552007.db2.gz MGHPTRILIBKZAM-SJORKVTESA-N 2 0 327.476 2.159 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)C1 ZINC000903463734 1240545813 /nfs/dbraw/zinc/54/58/13/1240545813.db2.gz KUJBFSLNMNXNKZ-ZMSDIMECSA-N 2 0 337.489 2.020 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485090 1240620233 /nfs/dbraw/zinc/62/02/33/1240620233.db2.gz HVPHSEIMGUSZKN-QGZVFWFLSA-N 2 0 341.455 2.327 10 0 EEAERP Cc1ccc(SCCNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496142 1240670607 /nfs/dbraw/zinc/67/06/07/1240670607.db2.gz HICDVAVDOZEWKN-HZPDHXFCSA-N 2 0 335.517 2.120 10 0 EEAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903757058 1241850189 /nfs/dbraw/zinc/85/01/89/1241850189.db2.gz BCSFQMOVFQQNME-UXHICEINSA-N 2 0 328.456 2.058 10 0 EEAERP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000903910782 1242443724 /nfs/dbraw/zinc/44/37/24/1242443724.db2.gz QXAYMQJEORTNEE-KRWDZBQOSA-N 2 0 348.539 2.289 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCc1cc2ccccc2o1 ZINC000903919622 1242492932 /nfs/dbraw/zinc/49/29/32/1242492932.db2.gz FJOBOANZVYBMGI-OAHLLOKOSA-N 2 0 325.416 2.281 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000903973357 1242808504 /nfs/dbraw/zinc/80/85/04/1242808504.db2.gz AMMFUCRDNZCLHE-GHMZBOCLSA-N 2 0 328.359 2.352 10 0 EEAERP COC(=O)c1occc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000826816196 1248083338 /nfs/dbraw/zinc/08/33/38/1248083338.db2.gz SSWOWJIVPIOGEH-UHFFFAOYSA-N 2 0 336.432 2.047 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)CC1 ZINC001490973628 1258521778 /nfs/dbraw/zinc/52/17/78/1258521778.db2.gz LZLOLRIGUOTEPJ-AYHJJNSGSA-N 2 0 349.519 2.009 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](Cc3ccccn3)CC[C@H]21 ZINC001490979977 1258531469 /nfs/dbraw/zinc/53/14/69/1258531469.db2.gz ARXIGDKBQHOHHQ-PKOBYXMFSA-N 2 0 344.503 2.235 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3C[N@H+](CCC4CC4)CC[C@H]32)CC1 ZINC001490983700 1258537305 /nfs/dbraw/zinc/53/73/05/1258537305.db2.gz OXZNARVQTYUBAD-ZWKOTPCHSA-N 2 0 333.520 2.441 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3cccs3)on2)C1 ZINC001491050885 1258614158 /nfs/dbraw/zinc/61/41/58/1258614158.db2.gz PDCZXCYURYUBMY-BETUJISGSA-N 2 0 348.472 2.092 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001491084638 1258650403 /nfs/dbraw/zinc/65/04/03/1258650403.db2.gz CBNCRKYDFOCRIJ-ZJPYXAASSA-N 2 0 337.508 2.057 10 0 EEAERP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120709 1258702084 /nfs/dbraw/zinc/70/20/84/1258702084.db2.gz SWKFWKFMDBBJRA-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505326 1259155950 /nfs/dbraw/zinc/15/59/50/1259155950.db2.gz VVEIHCCGEDHRGY-CZUORRHYSA-N 2 0 338.521 2.166 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2)CC1 ZINC000851630823 1277691845 /nfs/dbraw/zinc/69/18/45/1277691845.db2.gz SHJHVLMPKZLJFA-UHFFFAOYSA-N 2 0 342.487 2.429 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2ccncc2Cl)cn1 ZINC001483240447 1277864401 /nfs/dbraw/zinc/86/44/01/1277864401.db2.gz OSSMCCQLJQUWIO-LBPRGKRZSA-N 2 0 349.866 2.270 10 0 EEAERP C[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1)[NH+]1CCCCCC1 ZINC001272581266 1277919857 /nfs/dbraw/zinc/91/98/57/1277919857.db2.gz FZLXBORKBJUATB-DLBZAZTESA-N 2 0 348.491 2.267 10 0 EEAERP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCCOC)CC1 ZINC001273598262 1280783866 /nfs/dbraw/zinc/78/38/66/1280783866.db2.gz ACRNKUKKXZHMBI-QTRNMDFLSA-N 2 0 349.519 2.129 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001489311728 1290540291 /nfs/dbraw/zinc/54/02/91/1290540291.db2.gz KGJLVIXODRAVEK-APWZRJJASA-N 2 0 347.503 2.366 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)C1 ZINC000925486235 1290548505 /nfs/dbraw/zinc/54/85/05/1290548505.db2.gz QGEMKRBWQKRQAP-DLBZAZTESA-N 2 0 338.517 2.487 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cc(C)ns1 ZINC001490280951 1291109299 /nfs/dbraw/zinc/10/92/99/1291109299.db2.gz BZYHLIPKWNHZSF-MRXNPFEDSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001490281830 1291112033 /nfs/dbraw/zinc/11/20/33/1291112033.db2.gz NTMCMPGKHXFSMR-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCOCC)CC1 ZINC001490618340 1291529419 /nfs/dbraw/zinc/52/94/19/1291529419.db2.gz LKOUADOUHQXHBU-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NC[C@@H]([NH2+]Cc1ccns1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001490680451 1291563206 /nfs/dbraw/zinc/56/32/06/1291563206.db2.gz XGELGTSPAOFJOR-MRXNPFEDSA-N 2 0 348.516 2.004 10 0 EEAERP C[C@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001490702028 1291635277 /nfs/dbraw/zinc/63/52/77/1291635277.db2.gz WMVYNVHRRUGTNQ-BBRMVZONSA-N 2 0 344.459 2.325 10 0 EEAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)ccc1OC ZINC000858493696 1294132417 /nfs/dbraw/zinc/13/24/17/1294132417.db2.gz DQUGNUNVIXOOPA-QRTARXTBSA-N 2 0 333.476 2.452 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863230830 1296162371 /nfs/dbraw/zinc/16/23/71/1296162371.db2.gz REXRGCCHVXMJNE-OAHLLOKOSA-N 2 0 326.554 2.055 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CN(C)CCO2)c(C)c1 ZINC001277157424 1301568036 /nfs/dbraw/zinc/56/80/36/1301568036.db2.gz YYEHPOSSPUIWRF-IEBWSBKVSA-N 2 0 347.503 2.009 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277772606 1304382139 /nfs/dbraw/zinc/38/21/39/1304382139.db2.gz YTZLKQJIXOMGSS-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH]cn1 ZINC001278263591 1308930591 /nfs/dbraw/zinc/93/05/91/1308930591.db2.gz KPGGDJZOQKHOHK-CRAIPNDOSA-N 2 0 348.491 2.128 10 0 EEAERP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843388913 1315905294 /nfs/dbraw/zinc/90/52/94/1315905294.db2.gz DUWGJHBAPLPIEU-WDYCEAGBSA-N 2 0 339.524 2.290 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001278570904 1317257620 /nfs/dbraw/zinc/25/76/20/1317257620.db2.gz AKSRAWLPTJDXLA-OAHLLOKOSA-N 2 0 337.430 2.499 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001264121058 1322633135 /nfs/dbraw/zinc/63/31/35/1322633135.db2.gz WWZZLTBWPMQRFZ-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCOc3ccccc3)C2)CCC1 ZINC001264394110 1322689018 /nfs/dbraw/zinc/68/90/18/1322689018.db2.gz TZQAIUCWBHRORJ-CALCHBBNSA-N 2 0 345.487 2.034 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1OCC ZINC001264526910 1322725450 /nfs/dbraw/zinc/72/54/50/1322725450.db2.gz MWHNNJJBFSONFT-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CCc1ccc(F)c(F)c1 ZINC001265068441 1322905014 /nfs/dbraw/zinc/90/50/14/1322905014.db2.gz KMNAFNPCIWHVFN-UHFFFAOYSA-N 2 0 339.430 2.041 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCN(C)Cc1ncc(C2CC2)o1 ZINC001265073160 1322908006 /nfs/dbraw/zinc/90/80/06/1322908006.db2.gz RXZUQVAZHRCPJP-GASCZTMLSA-N 2 0 348.491 2.363 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCCCF)C1)[NH+]1CCCC1 ZINC001265319716 1323067495 /nfs/dbraw/zinc/06/74/95/1323067495.db2.gz QEQGCFZQSBPOHQ-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001265470361 1323171802 /nfs/dbraw/zinc/17/18/02/1323171802.db2.gz FXARLKYZQUMHAJ-GUDVDZBRSA-N 2 0 329.488 2.259 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC001265492407 1323181607 /nfs/dbraw/zinc/18/16/07/1323181607.db2.gz QMMZGQGZUZZLKU-AVGNSLFASA-N 2 0 348.318 2.149 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOC(C)C ZINC001265692074 1323324396 /nfs/dbraw/zinc/32/43/96/1323324396.db2.gz YAOOJCYGRQIXKU-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncsc1C[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001265864553 1323438911 /nfs/dbraw/zinc/43/89/11/1323438911.db2.gz JPKNUNOUJFEPFS-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001265871720 1323444869 /nfs/dbraw/zinc/44/48/69/1323444869.db2.gz FNAJBWCXNPBNIN-MRXNPFEDSA-N 2 0 327.419 2.243 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCn3cncc3C2)cc1 ZINC001265877044 1323448910 /nfs/dbraw/zinc/44/89/10/1323448910.db2.gz AIPRHSJLTDWGPK-SFHVURJKSA-N 2 0 340.471 2.392 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1)[NH+](C)C ZINC001265989095 1323547999 /nfs/dbraw/zinc/54/79/99/1323547999.db2.gz BHKKPMKXWQYDSK-PBKBVCMISA-N 2 0 329.488 2.478 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC[NH+](CCCOC(C)C)CC1)[NH+](C)C ZINC001266185663 1323751936 /nfs/dbraw/zinc/75/19/36/1323751936.db2.gz RMAHBMNYWUATNV-QGZVFWFLSA-N 2 0 327.513 2.065 10 0 EEAERP CC/C=C/CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001276539834 1324013346 /nfs/dbraw/zinc/01/33/46/1324013346.db2.gz GIMBYNMFFFYXLG-SRXMEYSWSA-N 2 0 349.519 2.130 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001280062073 1324073036 /nfs/dbraw/zinc/07/30/36/1324073036.db2.gz JXOQLKDZYRHRDO-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001276686581 1325329655 /nfs/dbraw/zinc/32/96/55/1325329655.db2.gz JWBRSQVCBXRCQB-IBGZPJMESA-N 2 0 341.499 2.118 10 0 EEAERP CCOCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001281834144 1325481503 /nfs/dbraw/zinc/48/15/03/1325481503.db2.gz VJORMDFTZDKQGD-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001282737941 1325776319 /nfs/dbraw/zinc/77/63/19/1325776319.db2.gz CWIBWDAPVQMGBQ-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176521 1325945127 /nfs/dbraw/zinc/94/51/27/1325945127.db2.gz HNZOCRLRKLJLMP-ZHALLVOQSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001283621678 1326166754 /nfs/dbraw/zinc/16/67/54/1326166754.db2.gz OECBEEOTXXBISW-CYBMUJFWSA-N 2 0 338.883 2.156 10 0 EEAERP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001284918726 1326776106 /nfs/dbraw/zinc/77/61/06/1326776106.db2.gz ZTPDJPYHQZUAQV-INIZCTEOSA-N 2 0 337.508 2.034 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](Cc3ccccc3F)CC2)CC1 ZINC001284949440 1326791173 /nfs/dbraw/zinc/79/11/73/1326791173.db2.gz TYUSVDSSOPOQHH-UHFFFAOYSA-N 2 0 345.462 2.416 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491581013 1330172427 /nfs/dbraw/zinc/17/24/27/1330172427.db2.gz YZOMUPZSFHDUFJ-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491848956 1330273436 /nfs/dbraw/zinc/27/34/36/1330273436.db2.gz AFBHVVRKGFAVEZ-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC001491891739 1330291815 /nfs/dbraw/zinc/29/18/15/1330291815.db2.gz NPNZOZUZEOHZQN-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2cccnc2)CC1 ZINC001492167302 1331033533 /nfs/dbraw/zinc/03/35/33/1331033533.db2.gz SRRHHXMPOWTEHH-SFHVURJKSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1nccs1 ZINC001492177398 1331055559 /nfs/dbraw/zinc/05/55/59/1331055559.db2.gz GGAUCTXMRHJJAS-OAHLLOKOSA-N 2 0 338.521 2.344 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@H]1CC1(Cl)Cl ZINC001317478178 1331628267 /nfs/dbraw/zinc/62/82/67/1331628267.db2.gz WJARGFVGHIEXDK-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H]1CC1(Cl)Cl ZINC001317478179 1331628589 /nfs/dbraw/zinc/62/85/89/1331628589.db2.gz WJARGFVGHIEXDK-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@@H]1CCC(F)(F)C1 ZINC001316823531 1331856314 /nfs/dbraw/zinc/85/63/14/1331856314.db2.gz FCTRVDXXLGDQAL-GDBMZVCRSA-N 2 0 343.462 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001316824982 1331857230 /nfs/dbraw/zinc/85/72/30/1331857230.db2.gz ZGOAOHBXUPHWQC-LSDHHAIUSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1cnc([C@H](C)[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001316824809 1331915500 /nfs/dbraw/zinc/91/55/00/1331915500.db2.gz MCUUCCMFPMVODD-WMZOPIPTSA-N 2 0 347.507 2.157 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001316937114 1332001973 /nfs/dbraw/zinc/00/19/73/1332001973.db2.gz JKYPYHXKIIAOQJ-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](CCCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001316992383 1332033998 /nfs/dbraw/zinc/03/39/98/1332033998.db2.gz OZKNZMCJMBWLJS-LJQANCHMSA-N 2 0 341.499 2.296 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccc(C)cc2)C1)[NH+](C)C ZINC001317340589 1332186075 /nfs/dbraw/zinc/18/60/75/1332186075.db2.gz YYNANQZYUMCTAP-MOPGFXCFSA-N 2 0 331.504 2.316 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1cccnc1 ZINC001317421820 1332225072 /nfs/dbraw/zinc/22/50/72/1332225072.db2.gz CRSJCMAOTKHPPS-OALUTQOASA-N 2 0 344.503 2.427 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cncs1)[NH+](C)C ZINC001317437465 1332240696 /nfs/dbraw/zinc/24/06/96/1332240696.db2.gz WJDWJVMYPWLLIR-HOCLYGCPSA-N 2 0 338.521 2.344 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]C[C@@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC001317589621 1332311656 /nfs/dbraw/zinc/31/16/56/1332311656.db2.gz RDZBNBUGWVQRTP-MBOZVWFJSA-N 2 0 343.515 2.180 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001317631593 1332338307 /nfs/dbraw/zinc/33/83/07/1332338307.db2.gz ZMOBOXONPTVLCH-LPHOPBHVSA-N 2 0 331.504 2.180 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001317653345 1332350952 /nfs/dbraw/zinc/35/09/52/1332350952.db2.gz FIZBEKQMDAGVEE-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP CN(CC[NH2+]CCOC1CCCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317656156 1332352618 /nfs/dbraw/zinc/35/26/18/1332352618.db2.gz VJCXVDXXEFEBSH-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)N(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ncccn1 ZINC001317686499 1332372745 /nfs/dbraw/zinc/37/27/45/1332372745.db2.gz PELJLUGFYUWHED-QGZVFWFLSA-N 2 0 347.507 2.066 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCOc1ccccc1 ZINC001318215605 1332490018 /nfs/dbraw/zinc/49/00/18/1332490018.db2.gz ICRBMFFDOZNRRT-ROUUACIJSA-N 2 0 345.487 2.082 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]Cc2ccc(F)cn2)CC1 ZINC001318875560 1332616175 /nfs/dbraw/zinc/61/61/75/1332616175.db2.gz WRKACSGZAMCZBU-SFHVURJKSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1Cl ZINC001319283551 1332675540 /nfs/dbraw/zinc/67/55/40/1332675540.db2.gz RWXHFVOKUXXZSH-GOEBONIOSA-N 2 0 337.895 2.176 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001319749384 1332758064 /nfs/dbraw/zinc/75/80/64/1332758064.db2.gz FHBIPILQZCHYIM-RTBURBONSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001320416899 1332878507 /nfs/dbraw/zinc/87/85/07/1332878507.db2.gz XPGKJCVZMALVDS-SUMWQHHRSA-N 2 0 335.517 2.383 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001320448615 1332886297 /nfs/dbraw/zinc/88/62/97/1332886297.db2.gz WMOZKYQDLSTLPR-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001320609072 1332920117 /nfs/dbraw/zinc/92/01/17/1332920117.db2.gz QXKGCKGYYBHTLS-KBXCAEBGSA-N 2 0 333.476 2.041 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C1CC1 ZINC001320996429 1332993342 /nfs/dbraw/zinc/99/33/42/1332993342.db2.gz DVATWIDYGIQRDD-PXPVJAHISA-N 2 0 327.472 2.420 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C2CCC2)cc1F ZINC001321095474 1333018002 /nfs/dbraw/zinc/01/80/02/1333018002.db2.gz IWXUKANMMLRPIZ-ARJAWSKDSA-N 2 0 333.451 2.380 10 0 EEAERP Cc1csc(CNC/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC001321249032 1333054652 /nfs/dbraw/zinc/05/46/52/1333054652.db2.gz HBTZWVOYRRDJCC-VOTSOKGWSA-N 2 0 338.521 2.191 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC1CCOCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321289983 1333064996 /nfs/dbraw/zinc/06/49/96/1333064996.db2.gz YDTSHFBCGOWBLG-IOGRCVRYSA-N 2 0 349.519 2.082 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001321336784 1333077560 /nfs/dbraw/zinc/07/75/60/1333077560.db2.gz MZNVURZJYWMFDA-LAQIPUCWSA-N 2 0 344.503 2.309 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001321340071 1333079430 /nfs/dbraw/zinc/07/94/30/1333079430.db2.gz XPORBYPOWRNDIE-ONEGZZNKSA-N 2 0 327.472 2.161 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1F ZINC001321419783 1333101120 /nfs/dbraw/zinc/10/11/20/1333101120.db2.gz QORNTGJNMCRYSQ-IPLHWJFFSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)s1 ZINC001321567912 1333125646 /nfs/dbraw/zinc/12/56/46/1333125646.db2.gz QBEASADSAVQHIB-LLVKDONJSA-N 2 0 343.456 2.316 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321608826 1333132171 /nfs/dbraw/zinc/13/21/71/1333132171.db2.gz HSMXKWIFWZWVNW-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](C[NH2+]CCCCC1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321847904 1333167379 /nfs/dbraw/zinc/16/73/79/1333167379.db2.gz CFZLUWOBGXNLPY-LZLYRXPVSA-N 2 0 339.524 2.018 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322511426 1333273869 /nfs/dbraw/zinc/27/38/69/1333273869.db2.gz IFXSDDAJZGWJSN-SJLPKXTDSA-N 2 0 347.503 2.282 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322549995 1333281182 /nfs/dbraw/zinc/28/11/82/1333281182.db2.gz UZDHKYPIVOFOBQ-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324221945 1333637774 /nfs/dbraw/zinc/63/77/74/1333637774.db2.gz OFAXVYLWKBQYNO-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCCOC)CC2)[NH+](CC)CC ZINC001326599301 1334122488 /nfs/dbraw/zinc/12/24/88/1334122488.db2.gz RHNOCDNHPPDPGK-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001327048588 1334211183 /nfs/dbraw/zinc/21/11/83/1334211183.db2.gz LMGKRXXENSZJQA-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCCCCC1 ZINC001328389286 1334453338 /nfs/dbraw/zinc/45/33/38/1334453338.db2.gz QVZLYDIVKPDQGU-FUHWJXTLSA-N 2 0 339.524 2.304 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001328942598 1334552844 /nfs/dbraw/zinc/55/28/44/1334552844.db2.gz YGENDFZHPVEURE-UHFFFAOYSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001330834955 1334911873 /nfs/dbraw/zinc/91/18/73/1334911873.db2.gz GVFJCYFGEXLRJQ-CYBMUJFWSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001331326930 1334997200 /nfs/dbraw/zinc/99/72/00/1334997200.db2.gz VSHXIIYSFOLJGC-JSGCOSHPSA-N 2 0 335.414 2.107 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOc2ccc(C)cc2)[C@H]1C ZINC001331930475 1335679970 /nfs/dbraw/zinc/67/99/70/1335679970.db2.gz XNCSDCIXFSJHMY-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001332838507 1335916542 /nfs/dbraw/zinc/91/65/42/1335916542.db2.gz QYMKVFQOTAHWJH-CVEARBPZSA-N 2 0 327.513 2.016 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)C1 ZINC001333311901 1336003745 /nfs/dbraw/zinc/00/37/45/1336003745.db2.gz NXPNRLGIHVLKHJ-IBGZPJMESA-N 2 0 336.439 2.419 10 0 EEAERP C[C@@H]1C[C@@H](C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC001333352260 1336017226 /nfs/dbraw/zinc/01/72/26/1336017226.db2.gz YYDKGLVWSWXNTJ-AEFFLSMTSA-N 2 0 349.519 2.034 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)o1 ZINC001333400018 1336034841 /nfs/dbraw/zinc/03/48/41/1336034841.db2.gz KKXYCOQGABOVRK-GOSISDBHSA-N 2 0 348.491 2.126 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000847525829 1338139243 /nfs/dbraw/zinc/13/92/43/1338139243.db2.gz OZAUEZOZGSPUQF-MRXNPFEDSA-N 2 0 344.503 2.179 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001668652355 1355980391 /nfs/dbraw/zinc/98/03/91/1355980391.db2.gz NCLCHQZDVITDCL-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001436349134 1342045119 /nfs/dbraw/zinc/04/51/19/1342045119.db2.gz BSWUGKNSZVMOFS-LJISPDSOSA-N 2 0 347.425 2.440 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001670233609 1356300972 /nfs/dbraw/zinc/30/09/72/1356300972.db2.gz YNHSVYRUQFAHKR-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500392582 1342185323 /nfs/dbraw/zinc/18/53/23/1342185323.db2.gz FFQKGPDJIJZGQC-IBGZPJMESA-N 2 0 333.520 2.491 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1ocnc1C ZINC001506579739 1342258482 /nfs/dbraw/zinc/25/84/82/1342258482.db2.gz OPUHQBJBPVQRTD-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567017188 1342679856 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EEAERP CCOCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001570905240 1343137344 /nfs/dbraw/zinc/13/73/44/1343137344.db2.gz PVGWMPWPQYDTIE-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001571417412 1343207637 /nfs/dbraw/zinc/20/76/37/1343207637.db2.gz CJLRVZHEJXKKAR-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CCOCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001677014047 1357262423 /nfs/dbraw/zinc/26/24/23/1357262423.db2.gz VECHETSYLJDAKD-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCOC(C)C)C1 ZINC001677406899 1357328310 /nfs/dbraw/zinc/32/83/10/1357328310.db2.gz GCNBQDDNMOBBMJ-DAWZGUTISA-N 2 0 339.524 2.111 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001671250219 1353900874 /nfs/dbraw/zinc/90/08/74/1353900874.db2.gz BCACKQQOXYYTRR-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001671250217 1353900931 /nfs/dbraw/zinc/90/09/31/1353900931.db2.gz BCACKQQOXYYTRR-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CCOC(=O)COCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001654512212 1354150707 /nfs/dbraw/zinc/15/07/07/1354150707.db2.gz JNEFFSNSIGZUCX-QGZVFWFLSA-N 2 0 326.481 2.153 10 0 EEAERP CN(CCOCC[N@H+](C)CCC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001656871518 1354289863 /nfs/dbraw/zinc/28/98/63/1354289863.db2.gz VCLQSSZUHMFSRV-UHFFFAOYSA-N 2 0 341.540 2.171 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001656982098 1354306670 /nfs/dbraw/zinc/30/66/70/1354306670.db2.gz BCHHEBOMOJDQDF-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ncccc1C ZINC001660408900 1354459802 /nfs/dbraw/zinc/45/98/02/1354459802.db2.gz QPUIDTYPYNRJPU-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCc2ccccc21 ZINC001660627643 1354504181 /nfs/dbraw/zinc/50/41/81/1354504181.db2.gz BXZUDDGGEOZIEF-MJGOQNOKSA-N 2 0 329.488 2.454 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001661686356 1354672249 /nfs/dbraw/zinc/67/22/49/1354672249.db2.gz MIEOAIZJLXRRBL-QGCOCTAGSA-N 2 0 327.472 2.423 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1Cl ZINC001662415161 1354793171 /nfs/dbraw/zinc/79/31/71/1354793171.db2.gz PTKSAVSLVGRWLJ-ZBFHGGJFSA-N 2 0 337.895 2.319 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2F)C1)C1CCC1 ZINC001662640757 1354818020 /nfs/dbraw/zinc/81/80/20/1354818020.db2.gz LYXANFVRLXCNNT-MRXNPFEDSA-N 2 0 347.478 2.291 10 0 EEAERP COCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662779711 1354845046 /nfs/dbraw/zinc/84/50/46/1354845046.db2.gz POOPVGZJZBAMNS-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001662839857 1354861244 /nfs/dbraw/zinc/86/12/44/1354861244.db2.gz XJJOIWCTQNIHSW-QZTJIDSGSA-N 2 0 339.499 2.391 10 0 EEAERP Cc1cccc(Cl)c1C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001664312860 1355136393 /nfs/dbraw/zinc/13/63/93/1355136393.db2.gz AXNASGGJKNUNFU-UHFFFAOYSA-N 2 0 335.879 2.292 10 0 EEAERP CN(CC[NH2+]C/C=C\c1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664369883 1355148133 /nfs/dbraw/zinc/14/81/33/1355148133.db2.gz OISFOSCGJKHQAY-MJSXRHKHSA-N 2 0 335.879 2.353 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001664855111 1355244118 /nfs/dbraw/zinc/24/41/18/1355244118.db2.gz VLHUFRLDXFEMFD-SFHVURJKSA-N 2 0 346.519 2.402 10 0 EEAERP CCOCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001664874388 1355248239 /nfs/dbraw/zinc/24/82/39/1355248239.db2.gz WRFZNMOJQVUITP-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001665738559 1355378711 /nfs/dbraw/zinc/37/87/11/1355378711.db2.gz WCWSAGQBTWWMEP-MRXNPFEDSA-N 2 0 325.472 2.145 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]CCC2CC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001666167865 1355474215 /nfs/dbraw/zinc/47/42/15/1355474215.db2.gz QQDASXSNTXKNJL-ICSRJNTNSA-N 2 0 333.520 2.491 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992016 1355628853 /nfs/dbraw/zinc/62/88/53/1355628853.db2.gz JXHWNFQAVZQZPZ-MAUKXSAKSA-N 2 0 345.503 2.060 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001667176859 1355665467 /nfs/dbraw/zinc/66/54/67/1355665467.db2.gz RHNHDNQEELPOSC-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nocc1C ZINC001667295441 1355700770 /nfs/dbraw/zinc/70/07/70/1355700770.db2.gz BZLZAIAACFIJHD-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)on1 ZINC001667307214 1355706185 /nfs/dbraw/zinc/70/61/85/1355706185.db2.gz SDZQALUHTXIRDS-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF)C1CCCCC1 ZINC001667738651 1355802876 /nfs/dbraw/zinc/80/28/76/1355802876.db2.gz OKHLSRHGSRWZAA-WBVHZDCISA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668112122 1355872917 /nfs/dbraw/zinc/87/29/17/1355872917.db2.gz ATQOXUVDHGNAGD-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668235187 1355906000 /nfs/dbraw/zinc/90/60/00/1355906000.db2.gz ZRXAPOAVXNMGNP-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863972 1356026720 /nfs/dbraw/zinc/02/67/20/1356026720.db2.gz BETMAUSQWAUKSB-PYTPGESOSA-N 2 0 346.475 2.152 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC001668865227 1356027995 /nfs/dbraw/zinc/02/79/95/1356027995.db2.gz SLUARPMWVJUGMP-ONEGZZNKSA-N 2 0 337.414 2.211 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001669038904 1356073713 /nfs/dbraw/zinc/07/37/13/1356073713.db2.gz GWJVHYVGNTYXNY-REUDQUMMSA-N 2 0 343.462 2.416 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001669293820 1356141451 /nfs/dbraw/zinc/14/14/51/1356141451.db2.gz RRSATZIPKLGUMX-OXQOHEQNSA-N 2 0 343.515 2.228 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669380220 1356152440 /nfs/dbraw/zinc/15/24/40/1356152440.db2.gz CBQFLZJCMIQWQS-SQNIBIBYSA-N 2 0 347.503 2.198 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001670041829 1356265917 /nfs/dbraw/zinc/26/59/17/1356265917.db2.gz JRTCJGVEKIUVGD-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001670123691 1356279484 /nfs/dbraw/zinc/27/94/84/1356279484.db2.gz BCLLQGRYVQHXJQ-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC001672805111 1356588180 /nfs/dbraw/zinc/58/81/80/1356588180.db2.gz KTLBCZWNQRISGA-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001672917014 1356614707 /nfs/dbraw/zinc/61/47/07/1356614707.db2.gz TVWKSOGJBIZPHQ-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001674474411 1356841079 /nfs/dbraw/zinc/84/10/79/1356841079.db2.gz AZEDHFLANOFSIT-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1C[C@@H]1CCOC1 ZINC001675271283 1356957025 /nfs/dbraw/zinc/95/70/25/1356957025.db2.gz ZXFYIIDXWUDETM-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675620887 1357017383 /nfs/dbraw/zinc/01/73/83/1357017383.db2.gz GPKIBRZGAPCVHC-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106840 1405262440 /nfs/dbraw/zinc/26/24/40/1405262440.db2.gz PCJDWDAXFPQDIU-LPHOPBHVSA-N 2 0 344.503 2.473 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2)CC1 ZINC001699316053 1405331906 /nfs/dbraw/zinc/33/19/06/1405331906.db2.gz WLMUCNXEYKVXMW-IHWYPQMZSA-N 2 0 333.451 2.320 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001699367524 1405344008 /nfs/dbraw/zinc/34/40/08/1405344008.db2.gz NGYLQGCKNYAQQL-MJGOQNOKSA-N 2 0 347.503 2.261 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699540025 1405378757 /nfs/dbraw/zinc/37/87/57/1405378757.db2.gz YBVUURREPJUCSR-CABCVRRESA-N 2 0 336.505 2.098 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001699740843 1405463714 /nfs/dbraw/zinc/46/37/14/1405463714.db2.gz RRZQCCITQPBPKS-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925803286 777085137 /nfs/dbraw/zinc/08/51/37/777085137.db2.gz WUBRNYNVKADTJW-SWHNLWLKSA-N 2 0 328.522 2.100 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)[C@H](c2ccccc2)C1 ZINC000911548379 787522185 /nfs/dbraw/zinc/52/21/85/787522185.db2.gz GJFVVOILIZJLDM-YSTOQKLRSA-N 2 0 341.499 2.465 10 0 EEAERP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912808224 788368086 /nfs/dbraw/zinc/36/80/86/788368086.db2.gz VTANUOARUXXVIU-CRAIPNDOSA-N 2 0 332.492 2.336 10 0 EEAERP CC[NH+](CC)CCCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000844166294 788882302 /nfs/dbraw/zinc/88/23/02/788882302.db2.gz CTNGVJPFKUIBDL-CQSZACIVSA-N 2 0 326.872 2.281 10 0 EEAERP Fc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923308570 789343432 /nfs/dbraw/zinc/34/34/32/789343432.db2.gz FGLMGFFUAQVMPF-QZTJIDSGSA-N 2 0 334.435 2.185 10 0 EEAERP CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318299 789359698 /nfs/dbraw/zinc/35/96/98/789359698.db2.gz YSNCCLYKXREGMM-ZWKOTPCHSA-N 2 0 336.451 2.196 10 0 EEAERP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385561 789480641 /nfs/dbraw/zinc/48/06/41/789480641.db2.gz ALHFQTOLYXAVDS-WMZOPIPTSA-N 2 0 336.451 2.277 10 0 EEAERP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923479479 789640146 /nfs/dbraw/zinc/64/01/46/789640146.db2.gz PRCFGHTUEKXRMS-NEPJUHHUSA-N 2 0 333.259 2.404 10 0 EEAERP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497162 789670806 /nfs/dbraw/zinc/67/08/06/789670806.db2.gz GACUXEAVAGIYAH-AEFFLSMTSA-N 2 0 347.503 2.222 10 0 EEAERP CCCCOCCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505663 789690851 /nfs/dbraw/zinc/69/08/51/789690851.db2.gz PPIBIWOSYFCVPH-KRWDZBQOSA-N 2 0 339.524 2.021 10 0 EEAERP O[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000716654108 796405272 /nfs/dbraw/zinc/40/52/72/796405272.db2.gz FEMNIAWCXIIWKK-CADBVGFASA-N 2 0 332.513 2.497 10 0 EEAERP CN(C)[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(F)(F)F ZINC000922750618 801801140 /nfs/dbraw/zinc/80/11/40/801801140.db2.gz COKKETLOOVONBV-CQSZACIVSA-N 2 0 327.354 2.240 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CCF)CC1 ZINC001565940897 1125467031 /nfs/dbraw/zinc/46/70/31/1125467031.db2.gz FQLBDAZDGMCLCD-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H]1CCc2ccccc2C1 ZINC001566516221 1125687947 /nfs/dbraw/zinc/68/79/47/1125687947.db2.gz CWDFFKHWXYSJIC-XLIONFOSSA-N 2 0 343.515 2.181 10 0 EEAERP CC(C)[C@@H](C(=O)NCCCN(C)[C@@H](C)c1ncccn1)[NH+]1CCCC1 ZINC001566519870 1125691013 /nfs/dbraw/zinc/69/10/13/1125691013.db2.gz INVXKLVNJFXKKR-IRXDYDNUSA-N 2 0 347.507 2.096 10 0 EEAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436804287 1088385192 /nfs/dbraw/zinc/38/51/92/1088385192.db2.gz CVIQGKSJHHPBQO-MAUKXSAKSA-N 2 0 327.488 2.339 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001436933287 1088603670 /nfs/dbraw/zinc/60/36/70/1088603670.db2.gz XOKAOPPATRTEBH-SHTZXODSSA-N 2 0 336.505 2.146 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC001436946979 1088629839 /nfs/dbraw/zinc/62/98/39/1088629839.db2.gz VABDVTDAWAGNHH-MOPGFXCFSA-N 2 0 344.503 2.235 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc3c(c2)COC3)CC[N@@H+]1C ZINC001437128334 1089114529 /nfs/dbraw/zinc/11/45/29/1089114529.db2.gz GREJRGXFMAQOTP-ZOCIIQOWSA-N 2 0 345.487 2.041 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001437217992 1089300280 /nfs/dbraw/zinc/30/02/80/1089300280.db2.gz XBWKSEKDNYHNOT-ZFWWWQNUSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1OC1CC1 ZINC001437372986 1089613425 /nfs/dbraw/zinc/61/34/25/1089613425.db2.gz HOYCRAKMJUVLKF-CRAIPNDOSA-N 2 0 345.487 2.306 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC001437379277 1089625646 /nfs/dbraw/zinc/62/56/46/1089625646.db2.gz GQHODYWZBQSVQZ-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437383726 1089633494 /nfs/dbraw/zinc/63/34/94/1089633494.db2.gz MSVFXBJYGZKKSL-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC001437386713 1089639059 /nfs/dbraw/zinc/63/90/59/1089639059.db2.gz VVNYOUMCBNUHHQ-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccnn1C ZINC001437389479 1089640870 /nfs/dbraw/zinc/64/08/70/1089640870.db2.gz NONUTQNQUMOYDX-OAHLLOKOSA-N 2 0 349.523 2.058 10 0 EEAERP CC(C)(C(=O)NCC[N@H+](CC[C@@H]1CCCO1)C1CC1)[NH+]1CCCC1 ZINC001437798411 1090384688 /nfs/dbraw/zinc/38/46/88/1090384688.db2.gz PARMFRRMKUKMJW-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP CCc1ccc(C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001437812941 1090406695 /nfs/dbraw/zinc/40/66/95/1090406695.db2.gz DLHBQDGAQLJKAK-UHFFFAOYSA-N 2 0 341.499 2.425 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437990258 1090587532 /nfs/dbraw/zinc/58/75/32/1090587532.db2.gz MNKKNPCLFAGWRJ-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ccc(CCC[N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001438242811 1090724197 /nfs/dbraw/zinc/72/41/97/1090724197.db2.gz OYFZNKNOMXUQNA-IBGZPJMESA-N 2 0 331.504 2.412 10 0 EEAERP CCN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001438273580 1090759369 /nfs/dbraw/zinc/75/93/69/1090759369.db2.gz YGISSTLAEJQPSY-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cncc(C)c1 ZINC001438304221 1090783138 /nfs/dbraw/zinc/78/31/38/1090783138.db2.gz MUAPAILFLLDKRS-QZTJIDSGSA-N 2 0 332.492 2.247 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)cc1 ZINC001438342512 1090819299 /nfs/dbraw/zinc/81/92/99/1090819299.db2.gz WKIQPRFJZRTAAE-DOTOQJQBSA-N 2 0 333.476 2.021 10 0 EEAERP CC[C@H](C)C[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001438401017 1090888157 /nfs/dbraw/zinc/88/81/57/1090888157.db2.gz IVCQCTTXVJXAKE-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP COCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001438666999 1091155192 /nfs/dbraw/zinc/15/51/92/1091155192.db2.gz WBPCHWHCQBDHRZ-QFBILLFUSA-N 2 0 347.503 2.254 10 0 EEAERP COc1cccc(Cl)c1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001445502535 1091280830 /nfs/dbraw/zinc/28/08/30/1091280830.db2.gz MJSDECZWCDNMHA-CYBMUJFWSA-N 2 0 341.883 2.283 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445526058 1091296392 /nfs/dbraw/zinc/29/63/92/1091296392.db2.gz AZEBIGJRNUHTAF-WFASDCNBSA-N 2 0 325.403 2.313 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001445580329 1091366121 /nfs/dbraw/zinc/36/61/21/1091366121.db2.gz IMRAZTXFBGMOQH-HNNXBMFYSA-N 2 0 333.451 2.357 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001438819607 1091437263 /nfs/dbraw/zinc/43/72/63/1091437263.db2.gz ZRSZUJUFGHBLLB-QZTJIDSGSA-N 2 0 349.544 2.363 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c(C)n1 ZINC001445653659 1091442554 /nfs/dbraw/zinc/44/25/54/1091442554.db2.gz DOGFIGIHIYBMNL-INIZCTEOSA-N 2 0 332.492 2.169 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2Cc2nc(C)oc2C)C1 ZINC001438944637 1091630877 /nfs/dbraw/zinc/63/08/77/1091630877.db2.gz CJAHEUYUAWBLQV-FUHWJXTLSA-N 2 0 348.491 2.056 10 0 EEAERP Cc1ncccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001445793330 1091661083 /nfs/dbraw/zinc/66/10/83/1091661083.db2.gz ZGQCEZUZGULEAB-ZOBUZTSGSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001445881161 1091808820 /nfs/dbraw/zinc/80/88/20/1091808820.db2.gz NLRFPOOGOBKLAB-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CCc1ccccc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001445934642 1091868616 /nfs/dbraw/zinc/86/86/16/1091868616.db2.gz ILTGLDHHUQUPHO-OALUTQOASA-N 2 0 329.488 2.328 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC001439242358 1091891858 /nfs/dbraw/zinc/89/18/58/1091891858.db2.gz LHDMYLRLSTZZBL-BQFCYCMXSA-N 2 0 347.503 2.328 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001439268209 1091924377 /nfs/dbraw/zinc/92/43/77/1091924377.db2.gz ADFLPMZIEGBKJS-YJBOKZPZSA-N 2 0 344.459 2.270 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445982403 1091945489 /nfs/dbraw/zinc/94/54/89/1091945489.db2.gz AJHHUDXDPWMYBV-MOPGFXCFSA-N 2 0 329.488 2.240 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001439367815 1092095121 /nfs/dbraw/zinc/09/51/21/1092095121.db2.gz VSFMXLFYLDFMIH-ZDUSSCGKSA-N 2 0 343.874 2.410 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccnc1)[NH+]1CCCC1 ZINC001439407750 1092171063 /nfs/dbraw/zinc/17/10/63/1092171063.db2.gz NCJBYLLUWKDBIY-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CC[NH+](C)C)c2)C1 ZINC001446141291 1092188117 /nfs/dbraw/zinc/18/81/17/1092188117.db2.gz PBASRJDNYHCFJH-SFHVURJKSA-N 2 0 331.504 2.498 10 0 EEAERP Cc1cccc(Cl)c1C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001446266725 1092411157 /nfs/dbraw/zinc/41/11/57/1092411157.db2.gz MCLWWCKHUMWRIQ-UHFFFAOYSA-N 2 0 347.890 2.483 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)c1cccc(F)c1 ZINC001439638812 1092560955 /nfs/dbraw/zinc/56/09/55/1092560955.db2.gz IAZFCCHDECHXCV-CQSZACIVSA-N 2 0 333.451 2.467 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001439906068 1092971587 /nfs/dbraw/zinc/97/15/87/1092971587.db2.gz SCSMJNLNORWVQT-XLIONFOSSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC2)sn1 ZINC001440313705 1093446422 /nfs/dbraw/zinc/44/64/22/1093446422.db2.gz QMCFZHUZQFWRAG-OAHLLOKOSA-N 2 0 336.505 2.064 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]2C1 ZINC001448467759 1093478374 /nfs/dbraw/zinc/47/83/74/1093478374.db2.gz GDSPGINXHCBMIE-PLAZVSLNSA-N 2 0 348.318 2.474 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCC4CC4)C[C@H]3C2)CCC1 ZINC001448467129 1093479078 /nfs/dbraw/zinc/47/90/78/1093479078.db2.gz UOLYWLMNQHFLLK-KZNAEPCWSA-N 2 0 333.520 2.488 10 0 EEAERP Cc1nc(C[NH+]2C[C@@H]3CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)co1 ZINC001448470890 1093483142 /nfs/dbraw/zinc/48/31/42/1093483142.db2.gz MIIYGFZDGXIHHM-GVDBMIGSSA-N 2 0 348.491 2.040 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001448481389 1093502806 /nfs/dbraw/zinc/50/28/06/1093502806.db2.gz YACBHYFWXQPHSV-SOUVJXGZSA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001440358663 1093519221 /nfs/dbraw/zinc/51/92/21/1093519221.db2.gz WFDCEQIOTVPZQE-QGZVFWFLSA-N 2 0 348.466 2.224 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001448516130 1093543343 /nfs/dbraw/zinc/54/33/43/1093543343.db2.gz KSXOFTGMGQFGDI-SAABIXHNSA-N 2 0 348.491 2.234 10 0 EEAERP C[N@H+](CCC(F)(F)F)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001448529819 1093564609 /nfs/dbraw/zinc/56/46/09/1093564609.db2.gz RZRZAHXVBNFGNB-OAHLLOKOSA-N 2 0 347.425 2.203 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001440476953 1093706479 /nfs/dbraw/zinc/70/64/79/1093706479.db2.gz ZWXWTVXSTBPLOE-ROUUACIJSA-N 2 0 348.491 2.280 10 0 EEAERP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C)C1CCCC1 ZINC001440500908 1093743237 /nfs/dbraw/zinc/74/32/37/1093743237.db2.gz YNRVCFARQCUDOC-BPQIPLTHSA-N 2 0 339.524 2.112 10 0 EEAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001440519255 1093770698 /nfs/dbraw/zinc/77/06/98/1093770698.db2.gz LYYWHVQIMJMZQF-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCOC)CC(C)(C)C1)[NH+](CC)CC ZINC001440527956 1093782320 /nfs/dbraw/zinc/78/23/20/1093782320.db2.gz BSFXIPFKZGMDPF-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP CCC1([NH2+]C[C@H](C)O)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001440530368 1093788436 /nfs/dbraw/zinc/78/84/36/1093788436.db2.gz LGFJNVQURDMNKE-INIZCTEOSA-N 2 0 347.503 2.103 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001440536371 1093799523 /nfs/dbraw/zinc/79/95/23/1093799523.db2.gz OZVVZOIVSJSIES-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001448742732 1093813321 /nfs/dbraw/zinc/81/33/21/1093813321.db2.gz XTLBRMRHPJTLCE-HNNXBMFYSA-N 2 0 330.476 2.446 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC001440610192 1093875215 /nfs/dbraw/zinc/87/52/15/1093875215.db2.gz NBLUCBDAXCGROF-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP COc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1C ZINC001448981338 1093984535 /nfs/dbraw/zinc/98/45/35/1093984535.db2.gz LZECOQNXKWTWJS-WBVHZDCISA-N 2 0 333.476 2.034 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCc3cccs3)C(C)(C)C2)CC1 ZINC001449091149 1094103498 /nfs/dbraw/zinc/10/34/98/1094103498.db2.gz IHEAKJZWTFHEDP-MRXNPFEDSA-N 2 0 349.544 2.459 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC001449367342 1094334155 /nfs/dbraw/zinc/33/41/55/1094334155.db2.gz KZDGUJXITFQEBT-OLZOCXBDSA-N 2 0 341.393 2.057 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001449367335 1094334179 /nfs/dbraw/zinc/33/41/79/1094334179.db2.gz KZDGUJXITFQEBT-CHWSQXEVSA-N 2 0 341.393 2.057 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001441099756 1094403495 /nfs/dbraw/zinc/40/34/95/1094403495.db2.gz PXFOXIWBXFFEKD-RTBURBONSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441383730 1094927358 /nfs/dbraw/zinc/92/73/58/1094927358.db2.gz IXRKGMPOIXRQKK-JKQORVJESA-N 2 0 325.472 2.378 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2scnc2C)C1)[NH+](CC)CC ZINC001441503571 1095187234 /nfs/dbraw/zinc/18/72/34/1095187234.db2.gz FCAHNCWWHQQTSM-ZNMIVQPWSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001441531302 1095242410 /nfs/dbraw/zinc/24/24/10/1095242410.db2.gz QPMLEORPOUGJQM-HIFRSBDPSA-N 2 0 338.521 2.261 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441570319 1095336590 /nfs/dbraw/zinc/33/65/90/1095336590.db2.gz OAAVLLQRFDKUJL-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001441577816 1095372407 /nfs/dbraw/zinc/37/24/07/1095372407.db2.gz GQDBDLKXSMYIRF-AEFFLSMTSA-N 2 0 344.503 2.060 10 0 EEAERP CC[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001441645784 1095590523 /nfs/dbraw/zinc/59/05/23/1095590523.db2.gz NWLIETGGNCOQJS-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]21 ZINC001441723173 1095702626 /nfs/dbraw/zinc/70/26/26/1095702626.db2.gz RCIFIZBCEQQTBF-SGTQZHETSA-N 2 0 333.520 2.201 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nocc3C)[C@@H]2C1 ZINC001441876353 1095997408 /nfs/dbraw/zinc/99/74/08/1095997408.db2.gz PVCDSPMBHITCCF-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP CC[NH2+][C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC001441929129 1096116809 /nfs/dbraw/zinc/11/68/09/1096116809.db2.gz WLRPOASXSIMTIO-IBGZPJMESA-N 2 0 331.504 2.445 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC001441933349 1096122974 /nfs/dbraw/zinc/12/29/74/1096122974.db2.gz KUMLEHXCEXRDHY-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441947299 1096146864 /nfs/dbraw/zinc/14/68/64/1096146864.db2.gz XQAQCEAPKMOJKZ-CQSZACIVSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001442158717 1096414684 /nfs/dbraw/zinc/41/46/84/1096414684.db2.gz XLORHUGLZRUESB-QZTJIDSGSA-N 2 0 346.519 2.495 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001442319992 1096638199 /nfs/dbraw/zinc/63/81/99/1096638199.db2.gz LMRHTCDFERDIPL-HZPDHXFCSA-N 2 0 345.487 2.336 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001442409414 1096730325 /nfs/dbraw/zinc/73/03/25/1096730325.db2.gz FBCALUFCJBVZAI-RHSMWYFYSA-N 2 0 328.460 2.056 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC001442616280 1096986633 /nfs/dbraw/zinc/98/66/33/1096986633.db2.gz ZYEPFLZIHJKNBZ-YOEHRIQHSA-N 2 0 335.879 2.327 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001442821832 1097210542 /nfs/dbraw/zinc/21/05/42/1097210542.db2.gz PYIIYZPHGJWAGA-WMZOPIPTSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)cn1 ZINC001443102628 1097515337 /nfs/dbraw/zinc/51/53/37/1097515337.db2.gz PFCHBIZTGOMAIS-QGZVFWFLSA-N 2 0 347.507 2.160 10 0 EEAERP Cc1conc1C[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001443271472 1097754556 /nfs/dbraw/zinc/75/45/56/1097754556.db2.gz MSIUBBVYJKRNKP-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCC1CCOCC1 ZINC001443919972 1098440959 /nfs/dbraw/zinc/44/09/59/1098440959.db2.gz SCGUMHCNYKYWOG-ZWKOTPCHSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1F ZINC001444030263 1098548911 /nfs/dbraw/zinc/54/89/11/1098548911.db2.gz HODBJLHNEKGGBD-WBVHZDCISA-N 2 0 335.467 2.194 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1F ZINC001444030238 1098548947 /nfs/dbraw/zinc/54/89/47/1098548947.db2.gz HODBJLHNEKGGBD-NVXWUHKLSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccns1)NC(=O)CC[NH+](C)C ZINC001444149175 1098689594 /nfs/dbraw/zinc/68/95/94/1098689594.db2.gz ASYBSOOYQQCZBI-WMLDXEAASA-N 2 0 338.521 2.250 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C/C(Cl)=C\Cl)CC1 ZINC001444172658 1098724217 /nfs/dbraw/zinc/72/42/17/1098724217.db2.gz HJSCAZBJIIQYFD-VTHZWRTPSA-N 2 0 334.291 2.418 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2cnc(C)s2)CC[N@@H+]1C ZINC001444315345 1098876633 /nfs/dbraw/zinc/87/66/33/1098876633.db2.gz YILJCSAXMAKUAS-VBNZEHGJSA-N 2 0 338.521 2.024 10 0 EEAERP CN(C)c1cccc(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001479774965 1098952920 /nfs/dbraw/zinc/95/29/20/1098952920.db2.gz NTAFXSRGXCCOKT-UHFFFAOYSA-N 2 0 346.519 2.175 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ccc2c(c1)COC2)C1CCC1 ZINC001479776061 1098954516 /nfs/dbraw/zinc/95/45/16/1098954516.db2.gz MVMQRUKPTFKGPU-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c(Cl)c1 ZINC001444382284 1098966179 /nfs/dbraw/zinc/96/61/79/1098966179.db2.gz NCBDBIZBZSFINR-CQSZACIVSA-N 2 0 325.884 2.442 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CCC(C)(C)C)CCO1)CC(C)(C)C ZINC001444454075 1099102420 /nfs/dbraw/zinc/10/24/20/1099102420.db2.gz SZALCCWAQBHCDB-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC001479889750 1099264155 /nfs/dbraw/zinc/26/41/55/1099264155.db2.gz LWPNGLUOXHBKDZ-DLBZAZTESA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444578962 1099398057 /nfs/dbraw/zinc/39/80/57/1099398057.db2.gz FDERAHWDQJCCPA-YJBOKZPZSA-N 2 0 340.471 2.266 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001479969107 1099413750 /nfs/dbraw/zinc/41/37/50/1099413750.db2.gz OFWULAIRVJMELY-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccnc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001444695420 1099548614 /nfs/dbraw/zinc/54/86/14/1099548614.db2.gz YALVTNIAOLRZHD-IRXDYDNUSA-N 2 0 332.492 2.283 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC001480045260 1099549403 /nfs/dbraw/zinc/54/94/03/1099549403.db2.gz UWVYTNXDZJRTHB-ZWKOTPCHSA-N 2 0 333.451 2.249 10 0 EEAERP C[C@@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1cccc(F)c1 ZINC001480060767 1099587065 /nfs/dbraw/zinc/58/70/65/1099587065.db2.gz VTKWAERLYWPILD-KDOFPFPSSA-N 2 0 345.462 2.467 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001480065086 1099597111 /nfs/dbraw/zinc/59/71/11/1099597111.db2.gz FRYCMHGTOMLIGF-GOSISDBHSA-N 2 0 335.467 2.459 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cncs2)[C@@H](C)C1 ZINC001444797979 1099715513 /nfs/dbraw/zinc/71/55/13/1099715513.db2.gz XKAAOUNWPPQIAG-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCOC(C)C)CC[C@H]21 ZINC001480187384 1099781075 /nfs/dbraw/zinc/78/10/75/1099781075.db2.gz CBQGLUYWZSQIHG-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC001444899979 1099954767 /nfs/dbraw/zinc/95/47/67/1099954767.db2.gz IOBCXCHHCVLAGE-GOSISDBHSA-N 2 0 342.487 2.417 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC/C=C\c3ccccc3)C[C@H]21 ZINC001480390198 1100194455 /nfs/dbraw/zinc/19/44/55/1100194455.db2.gz HMAMJBHNWRPGFQ-LPLZNRKESA-N 2 0 339.483 2.231 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496206839 1100749084 /nfs/dbraw/zinc/74/90/84/1100749084.db2.gz LXMQHILKPRGMEI-FUHWJXTLSA-N 2 0 343.515 2.454 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CCCC2)o1 ZINC001495212719 1100896491 /nfs/dbraw/zinc/89/64/91/1100896491.db2.gz XEOJUZNULLQFDU-HUUCEWRRSA-N 2 0 348.491 2.374 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001446504357 1100953612 /nfs/dbraw/zinc/95/36/12/1100953612.db2.gz XJIUDSYRKUDHLK-APWZRJJASA-N 2 0 344.503 2.188 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)s1 ZINC001496372584 1100965999 /nfs/dbraw/zinc/96/59/99/1100965999.db2.gz ABGRXOYXJKFCQT-CZUORRHYSA-N 2 0 338.521 2.118 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001495457045 1101168773 /nfs/dbraw/zinc/16/87/73/1101168773.db2.gz AHQUTYXTHOLPGL-KZNAEPCWSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC[C@@H](C)F ZINC001496570345 1101170992 /nfs/dbraw/zinc/17/09/92/1101170992.db2.gz NBDLFBPOIWDKQZ-HZPDHXFCSA-N 2 0 327.488 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC001495473916 1101184761 /nfs/dbraw/zinc/18/47/61/1101184761.db2.gz CMJIEYXOZQUAGG-XMTFNYHQSA-N 2 0 339.524 2.160 10 0 EEAERP COCc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496644889 1101249889 /nfs/dbraw/zinc/24/98/89/1101249889.db2.gz RRJMAMMVBBPYMU-RBUKOAKNSA-N 2 0 347.503 2.015 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001497025364 1101852472 /nfs/dbraw/zinc/85/24/72/1101852472.db2.gz LDUIEYXCQYPDGP-INIZCTEOSA-N 2 0 341.540 2.001 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497221387 1102147665 /nfs/dbraw/zinc/14/76/65/1102147665.db2.gz VVYKNBCCFGBAAG-MRXNPFEDSA-N 2 0 330.476 2.003 10 0 EEAERP CO[C@@H](C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001497261765 1102213496 /nfs/dbraw/zinc/21/34/96/1102213496.db2.gz FWWUWLXSGDTGDH-YJBOKZPZSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)c1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001497322332 1102322548 /nfs/dbraw/zinc/32/25/48/1102322548.db2.gz JTUKQXIQCGRZKT-HOTGVXAUSA-N 2 0 332.492 2.141 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]C[C@H]3CCC(F)(F)C3)CCC2)C1 ZINC001447267553 1102343407 /nfs/dbraw/zinc/34/34/07/1102343407.db2.gz QPBXVPQIOLISLH-GJZGRUSLSA-N 2 0 343.462 2.392 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001497406913 1102442355 /nfs/dbraw/zinc/44/23/55/1102442355.db2.gz GYZUSWVVOOBXQZ-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)C[C@H](C)n1ccnc1 ZINC001497460923 1102523608 /nfs/dbraw/zinc/52/36/08/1102523608.db2.gz RCAUWFJHCLNCJR-ZDUSSCGKSA-N 2 0 333.436 2.077 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccc1F)C(=O)C12CC[NH+](CC1)C2 ZINC001447370855 1102542676 /nfs/dbraw/zinc/54/26/76/1102542676.db2.gz NGDNYFHVAOVJLE-UHFFFAOYSA-N 2 0 333.451 2.202 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001447371064 1102545463 /nfs/dbraw/zinc/54/54/63/1102545463.db2.gz OGQGKBCFSGYBKF-MJGOQNOKSA-N 2 0 346.519 2.482 10 0 EEAERP CC[C@H](C[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)OC ZINC001447409650 1102604726 /nfs/dbraw/zinc/60/47/26/1102604726.db2.gz ASWXLOOCJMJBOO-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001447440930 1102659674 /nfs/dbraw/zinc/65/96/74/1102659674.db2.gz PMGKGCXTYLPTLY-WMZOPIPTSA-N 2 0 345.478 2.340 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447631666 1102999975 /nfs/dbraw/zinc/99/99/75/1102999975.db2.gz IPEBGARGUXYLEW-WFASDCNBSA-N 2 0 338.521 2.181 10 0 EEAERP CCc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497831202 1103161942 /nfs/dbraw/zinc/16/19/42/1103161942.db2.gz GQEQDTXQIOCMHJ-HIFRSBDPSA-N 2 0 336.480 2.014 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001497895038 1103275154 /nfs/dbraw/zinc/27/51/54/1103275154.db2.gz JXZGHFIHEFDYEZ-CABCVRRESA-N 2 0 333.476 2.192 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001494078119 1103485450 /nfs/dbraw/zinc/48/54/50/1103485450.db2.gz FRHQLMOWQGLBDI-DOTOQJQBSA-N 2 0 333.451 2.106 10 0 EEAERP O=C(Cn1ccnc1)NCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001494085807 1103499197 /nfs/dbraw/zinc/49/91/97/1103499197.db2.gz ZRUSAYMNDFCTBZ-HNNXBMFYSA-N 2 0 330.407 2.051 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(F)ccc1Cl ZINC001447904242 1103559887 /nfs/dbraw/zinc/55/98/87/1103559887.db2.gz NSHVEUCKTHVKCW-NWDGAFQWSA-N 2 0 329.847 2.414 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)s1 ZINC001447919341 1103597280 /nfs/dbraw/zinc/59/72/80/1103597280.db2.gz ZVARSEUSUHENKC-KBPBESRZSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001447935440 1103638746 /nfs/dbraw/zinc/63/87/46/1103638746.db2.gz RISAYWPFEZWULJ-CVEARBPZSA-N 2 0 347.503 2.271 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447942329 1103653896 /nfs/dbraw/zinc/65/38/96/1103653896.db2.gz ZNRKZIPQPMJVHV-KGLIPLIRSA-N 2 0 335.879 2.419 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494180994 1103658966 /nfs/dbraw/zinc/65/89/66/1103658966.db2.gz OZLDYAQGRFGEMC-GJZGRUSLSA-N 2 0 349.441 2.451 10 0 EEAERP CC[C@H](C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1)OC ZINC001448225468 1104210575 /nfs/dbraw/zinc/21/05/75/1104210575.db2.gz MIAVXHKGQPMZSE-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C2)CC[N@@H+]1C ZINC001480645972 1106813341 /nfs/dbraw/zinc/81/33/41/1106813341.db2.gz NBKQQRVFTXHKEI-XLGHRVTDSA-N 2 0 348.318 2.474 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001480679175 1106869129 /nfs/dbraw/zinc/86/91/29/1106869129.db2.gz HOSKDIMSZDJNDB-QUCCMNQESA-N 2 0 343.515 2.317 10 0 EEAERP Cc1ccncc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001498283253 1107211897 /nfs/dbraw/zinc/21/18/97/1107211897.db2.gz WQGUTPGAMPUFGS-WMZOPIPTSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480832588 1107225709 /nfs/dbraw/zinc/22/57/09/1107225709.db2.gz BXWSRNSMYZUUGE-ROUUACIJSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C)c(C)n1 ZINC001498318185 1107283636 /nfs/dbraw/zinc/28/36/36/1107283636.db2.gz MXXIDXQINNKFFF-CRAIPNDOSA-N 2 0 332.492 2.119 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001493129192 1107557572 /nfs/dbraw/zinc/55/75/72/1107557572.db2.gz QPIXYNDDJVQZIO-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001498459422 1107569359 /nfs/dbraw/zinc/56/93/59/1107569359.db2.gz UNLHZNWIEUSMCT-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](C[N@H+](C)C[C@@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001498458562 1107571074 /nfs/dbraw/zinc/57/10/74/1107571074.db2.gz RWSJALNPTSDOHG-QZTJIDSGSA-N 2 0 343.515 2.324 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001498505300 1107649261 /nfs/dbraw/zinc/64/92/61/1107649261.db2.gz RHEAPWYNTKGSPN-UONOGXRCSA-N 2 0 335.414 2.299 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001498592333 1107775649 /nfs/dbraw/zinc/77/56/49/1107775649.db2.gz PVANVUSJIUQAQW-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498621227 1107827274 /nfs/dbraw/zinc/82/72/74/1107827274.db2.gz LMFXQYSVONEZGR-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCc1ccsc1)C1CC1 ZINC001498735488 1107996851 /nfs/dbraw/zinc/99/68/51/1107996851.db2.gz FUNFXROEECHRQH-SJORKVTESA-N 2 0 335.517 2.259 10 0 EEAERP CC/C=C/CC[N@H+](CCNC(=O)[C@H]1CCc2nccn2C1)C1CC1 ZINC001493386036 1108043125 /nfs/dbraw/zinc/04/31/25/1108043125.db2.gz XSGSACPIUYNEHU-CWDCEQMOSA-N 2 0 330.476 2.382 10 0 EEAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@H]1CCn2c(C)ncc2C1)C1CC1 ZINC001493415281 1108114158 /nfs/dbraw/zinc/11/41/58/1108114158.db2.gz XQIMDBAZXZTLHL-HOCLYGCPSA-N 2 0 332.492 2.381 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2sccc2Cl)C1 ZINC001493694872 1108523321 /nfs/dbraw/zinc/52/33/21/1108523321.db2.gz JZPNZUMHDXWAOD-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C[C@H]1CCCCO1 ZINC001493860692 1108750543 /nfs/dbraw/zinc/75/05/43/1108750543.db2.gz OBXDMKNDWZUYQJ-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001468184211 1110470218 /nfs/dbraw/zinc/47/02/18/1110470218.db2.gz ZAODAEBUAMDVDF-FQEVSTJZSA-N 2 0 329.488 2.349 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001479301937 1110678164 /nfs/dbraw/zinc/67/81/64/1110678164.db2.gz ZRPFABWZRHLJKZ-QLFBSQMISA-N 2 0 336.505 2.002 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001499461631 1112297707 /nfs/dbraw/zinc/29/77/07/1112297707.db2.gz MRTUWMIKOUFTTG-HZPDHXFCSA-N 2 0 330.476 2.001 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@H](C)C2)o1 ZINC001499857648 1112517051 /nfs/dbraw/zinc/51/70/51/1112517051.db2.gz LWQYMULHTWZADM-NVXWUHKLSA-N 2 0 348.491 2.328 10 0 EEAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500542242 1112932507 /nfs/dbraw/zinc/93/25/07/1112932507.db2.gz AHVONCJCKURSOG-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001501668892 1113424531 /nfs/dbraw/zinc/42/45/31/1113424531.db2.gz RJKZZRSDPQWPSF-UHFFFAOYSA-N 2 0 347.503 2.113 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[NH+](C/C=C/Cl)CC3)CC1 ZINC001501742211 1113458743 /nfs/dbraw/zinc/45/87/43/1113458743.db2.gz SPGIHAVOGOEEBC-FPYGCLRLSA-N 2 0 325.884 2.005 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001502059649 1113573360 /nfs/dbraw/zinc/57/33/60/1113573360.db2.gz CQIAURAIWBHCFL-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001502087743 1113582391 /nfs/dbraw/zinc/58/23/91/1113582391.db2.gz RZXTXISISSPZQT-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505677680 1114125535 /nfs/dbraw/zinc/12/55/35/1114125535.db2.gz IATOEDDPJVOKLX-OLZOCXBDSA-N 2 0 339.430 2.289 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001506488203 1114644122 /nfs/dbraw/zinc/64/41/22/1114644122.db2.gz LUEOSGWPJUHHSE-GDBMZVCRSA-N 2 0 338.521 2.058 10 0 EEAERP CCc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]3C2)cc1 ZINC001506828400 1114898759 /nfs/dbraw/zinc/89/87/59/1114898759.db2.gz GLOVKVZDSWXCEG-OWZKRDHZSA-N 2 0 343.515 2.383 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C1 ZINC001506853840 1114917651 /nfs/dbraw/zinc/91/76/51/1114917651.db2.gz DYCDXFAIXQESQX-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001506901646 1114960560 /nfs/dbraw/zinc/96/05/60/1114960560.db2.gz GRFNLWZPDBSBIV-BQFCYCMXSA-N 2 0 347.478 2.194 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001506935291 1114985636 /nfs/dbraw/zinc/98/56/36/1114985636.db2.gz HGESYVOABXGDQQ-PMPSAXMXSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001506938644 1114988511 /nfs/dbraw/zinc/98/85/11/1114988511.db2.gz UVSLFBGXWWCAHZ-KGLIPLIRSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[NH+]1CCCC1 ZINC001506951128 1114999804 /nfs/dbraw/zinc/99/98/04/1114999804.db2.gz NSOBBWIFFQWAAT-INIZCTEOSA-N 2 0 345.487 2.187 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001507014161 1115055001 /nfs/dbraw/zinc/05/50/01/1115055001.db2.gz WJDMCMUXSQZSPF-IBBQAADRSA-N 2 0 327.900 2.438 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001507088186 1115101751 /nfs/dbraw/zinc/10/17/51/1115101751.db2.gz ZXSWRGFIVIOOKQ-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001507150538 1115135081 /nfs/dbraw/zinc/13/50/81/1115135081.db2.gz YLSIUOOCUKHDLU-STQMWFEESA-N 2 0 348.318 2.103 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOc2ccccc2C)C[C@H]1C ZINC001507334582 1115198681 /nfs/dbraw/zinc/19/86/81/1115198681.db2.gz VPYFFGGSGGVWPM-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507405875 1115253881 /nfs/dbraw/zinc/25/38/81/1115253881.db2.gz BHSUNKFLMKXKDM-HUUCEWRRSA-N 2 0 345.422 2.115 10 0 EEAERP O=C(N1CC[C@H]2[C@H](CC[N@H+]2CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001568516284 1124580970 /nfs/dbraw/zinc/58/09/70/1124580970.db2.gz VIYVIEVFRSMIQO-SJORKVTESA-N 2 0 337.483 2.145 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568646538 1124658637 /nfs/dbraw/zinc/65/86/37/1124658637.db2.gz QRVUDZMMVBTAEM-APWZRJJASA-N 2 0 346.519 2.221 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568692119 1124704261 /nfs/dbraw/zinc/70/42/61/1124704261.db2.gz CLDHXISGNYOTQD-HNNXBMFYSA-N 2 0 348.491 2.268 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791479 1124802923 /nfs/dbraw/zinc/80/29/23/1124802923.db2.gz KRVVCXHGGIPGAS-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CCN(CC[NH2+]Cc1ocnc1C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568800412 1124815775 /nfs/dbraw/zinc/81/57/75/1124815775.db2.gz IVEBWBZPMOALKL-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)cc1F ZINC001568861980 1124886996 /nfs/dbraw/zinc/88/69/96/1124886996.db2.gz CNGZWPZYYMFJES-SNAWJCMRSA-N 2 0 333.451 2.380 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568969508 1125007261 /nfs/dbraw/zinc/00/72/61/1125007261.db2.gz MHQAKJOHIQZDDW-PSUYNTKASA-N 2 0 330.476 2.025 10 0 EEAERP C[NH+](C)CCCOc1ncc(Br)cc1C[NH2+]C1CC1 ZINC000051549321 214097211 /nfs/dbraw/zinc/09/72/11/214097211.db2.gz GWDGEOZNOHSDNX-UHFFFAOYSA-N 2 0 328.254 2.427 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000176584058 282191532 /nfs/dbraw/zinc/19/15/32/282191532.db2.gz LWZHFRIHNJUVPI-ZWKOTPCHSA-N 2 0 336.524 2.377 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416249009 529697283 /nfs/dbraw/zinc/69/72/83/529697283.db2.gz VOLXALHMMUNVJJ-KRWDZBQOSA-N 2 0 329.488 2.378 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000175992201 539554226 /nfs/dbraw/zinc/55/42/26/539554226.db2.gz QMFRRQZJDRDHFC-UHFFFAOYSA-N 2 0 327.476 2.194 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000422942079 240301378 /nfs/dbraw/zinc/30/13/78/240301378.db2.gz KAJFRFZNJZCXPV-ZDUSSCGKSA-N 2 0 331.254 2.171 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422876545 240270311 /nfs/dbraw/zinc/27/03/11/240270311.db2.gz QIWUPIOTLFBQLQ-CLCXKQKWSA-N 2 0 333.476 2.260 10 0 EEAERP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995879 240321236 /nfs/dbraw/zinc/32/12/36/240321236.db2.gz ZRLRZBJEAYNHTL-XPKDYRNWSA-N 2 0 330.394 2.444 10 0 EEAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccnc(OCC[NH+](C)C)c3)C[C@H]2C1 ZINC000424291864 240895590 /nfs/dbraw/zinc/89/55/90/240895590.db2.gz VLTRPZPKNQLDJD-USTZCAOPSA-N 2 0 333.476 2.315 10 0 EEAERP O=C(NCCCC[NH+]1CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264229948 246214835 /nfs/dbraw/zinc/21/48/35/246214835.db2.gz JOMYKCPZDZJAMD-UHFFFAOYSA-N 2 0 345.487 2.125 10 0 EEAERP COC1([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000453075379 292145303 /nfs/dbraw/zinc/14/53/03/292145303.db2.gz FCRHTNXQSNLMOD-ZACQAIPSSA-N 2 0 328.497 2.050 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000119099887 292241196 /nfs/dbraw/zinc/24/11/96/292241196.db2.gz OLHDEEOLOYLNEL-ADKAHSJRSA-N 2 0 336.524 2.234 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119559867 292246246 /nfs/dbraw/zinc/24/62/46/292246246.db2.gz LYZOXNHLMUPTIE-OAHLLOKOSA-N 2 0 326.529 2.384 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262880557 152332660 /nfs/dbraw/zinc/33/26/60/152332660.db2.gz YYQNFOYKWIDOEM-QGZVFWFLSA-N 2 0 347.507 2.002 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121806607 292268412 /nfs/dbraw/zinc/26/84/12/292268412.db2.gz AQCNQZMYFQABRR-OFLPRAFFSA-N 2 0 326.529 2.382 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128041024 292335191 /nfs/dbraw/zinc/33/51/91/292335191.db2.gz SYPXNZKEBAMDID-MSOLQXFVSA-N 2 0 338.540 2.480 10 0 EEAERP C[NH2+][C@H](C)Cc1noc(-c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000261679694 160407657 /nfs/dbraw/zinc/40/76/57/160407657.db2.gz GSXKHBUXDGGZTB-OAHLLOKOSA-N 2 0 343.475 2.417 10 0 EEAERP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000184602286 160012159 /nfs/dbraw/zinc/01/21/59/160012159.db2.gz FXROHHSTQINWSF-IBGZPJMESA-N 2 0 347.503 2.295 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000185172520 160030106 /nfs/dbraw/zinc/03/01/06/160030106.db2.gz UTKVEAJKMHRRKS-SJORKVTESA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246575459 160285614 /nfs/dbraw/zinc/28/56/14/160285614.db2.gz SUHRMFWKAKOMIF-NZSAHSFTSA-N 2 0 344.503 2.385 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000247383503 160322661 /nfs/dbraw/zinc/32/26/61/160322661.db2.gz PXZJYGWRQZHPCV-OWCLPIDISA-N 2 0 326.529 2.381 10 0 EEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247743388 160331850 /nfs/dbraw/zinc/33/18/50/160331850.db2.gz NYPCGHCOENBXOM-UYAOXDASSA-N 2 0 331.504 2.474 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000352137724 162081809 /nfs/dbraw/zinc/08/18/09/162081809.db2.gz PXAXSXBQMOMZMP-UHFFFAOYSA-N 2 0 328.460 2.289 10 0 EEAERP C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000360871591 164393916 /nfs/dbraw/zinc/39/39/16/164393916.db2.gz KBJKXAJXYVQLLV-SFHVURJKSA-N 2 0 329.488 2.105 10 0 EEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000123776643 222329793 /nfs/dbraw/zinc/32/97/93/222329793.db2.gz RDTYXHQOVAERQP-GJZGRUSLSA-N 2 0 341.521 2.495 10 0 EEAERP Cc1n[nH]c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000278631351 269237407 /nfs/dbraw/zinc/23/74/07/269237407.db2.gz GWIOHTSOONZMFN-BCDXTJNWSA-N 2 0 325.460 2.441 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000349819591 278340800 /nfs/dbraw/zinc/34/08/00/278340800.db2.gz JOHIYEDHUMRIRI-RDJZCZTQSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000247500540 288309730 /nfs/dbraw/zinc/30/97/30/288309730.db2.gz UZRNFZZPOYIKCX-QRQLOZEOSA-N 2 0 344.503 2.037 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000333782651 312196634 /nfs/dbraw/zinc/19/66/34/312196634.db2.gz LBXRMUBTAPUNOB-MTHXSQLBSA-N 2 0 342.487 2.119 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000416838458 313330816 /nfs/dbraw/zinc/33/08/16/313330816.db2.gz JGJOYTWTOZARQU-BPQIPLTHSA-N 2 0 332.492 2.367 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416839777 313331264 /nfs/dbraw/zinc/33/12/64/313331264.db2.gz KHKOVVMMKGLLBQ-CEXWTWQISA-N 2 0 344.503 2.463 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000416891879 313351682 /nfs/dbraw/zinc/35/16/82/313351682.db2.gz VSVILVXIWLXYEN-YJBOKZPZSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416959313 313372364 /nfs/dbraw/zinc/37/23/64/313372364.db2.gz YTGPJMQHDKAESX-OWCLPIDISA-N 2 0 348.491 2.005 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417039209 313404322 /nfs/dbraw/zinc/40/43/22/313404322.db2.gz UWVIGLLDBNYZRQ-QGZVFWFLSA-N 2 0 332.492 2.074 10 0 EEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418336541 313786321 /nfs/dbraw/zinc/78/63/21/313786321.db2.gz ALBAFPDYJLGQHD-KRWDZBQOSA-N 2 0 326.529 2.386 10 0 EEAERP Cn1c2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2oc1=O ZINC000507208662 316375325 /nfs/dbraw/zinc/37/53/25/316375325.db2.gz HBMCHUUUQLSABJ-UHFFFAOYSA-N 2 0 329.444 2.439 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1)N1CC[NH+](C)CC1 ZINC000527859324 317276343 /nfs/dbraw/zinc/27/63/43/317276343.db2.gz PTZJIPYRUWJEIM-IAGOWNOFSA-N 2 0 341.503 2.374 10 0 EEAERP C[C@H](CCNC(=O)N(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000543671537 318165696 /nfs/dbraw/zinc/16/56/96/318165696.db2.gz NGSVLSHIQNILSU-QGZVFWFLSA-N 2 0 334.508 2.490 10 0 EEAERP C[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543688604 318165827 /nfs/dbraw/zinc/16/58/27/318165827.db2.gz DNZDXAACAUILTF-PKOBYXMFSA-N 2 0 346.519 2.490 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[C@]12CCCO2 ZINC000546056103 318243163 /nfs/dbraw/zinc/24/31/63/318243163.db2.gz LQGDJPCUTBZETL-IPMKNSEASA-N 2 0 342.443 2.392 10 0 EEAERP C[C@@]1(CNC(=O)NC2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000563593668 319027318 /nfs/dbraw/zinc/02/73/18/319027318.db2.gz KNJOIWMTXXFDPH-IBGZPJMESA-N 2 0 330.476 2.092 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000564667743 319100512 /nfs/dbraw/zinc/10/05/12/319100512.db2.gz WTQIANKHNUJJOY-VQIMIIECSA-N 2 0 329.488 2.281 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000566450789 319289556 /nfs/dbraw/zinc/28/95/56/319289556.db2.gz JQXKYQZBGUPJMX-PXNSSMCTSA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000574351637 320017610 /nfs/dbraw/zinc/01/76/10/320017610.db2.gz VKARMYKGQLVMFD-FHWLQOOXSA-N 2 0 331.504 2.300 10 0 EEAERP C[NH+](C)Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000392436710 323550356 /nfs/dbraw/zinc/55/03/56/323550356.db2.gz OWRUFAGWUMMRMH-JTDSTZFVSA-N 2 0 331.460 2.219 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580548719 324084999 /nfs/dbraw/zinc/08/49/99/324084999.db2.gz FCHJKBCYXYZUHH-GPMSIDNRSA-N 2 0 344.503 2.375 10 0 EEAERP CC[NH+](CC)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060894296 462569392 /nfs/dbraw/zinc/56/93/92/462569392.db2.gz CNYCFNPUWNSGIE-UHFFFAOYSA-N 2 0 332.492 2.423 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000336709456 465042938 /nfs/dbraw/zinc/04/29/38/465042938.db2.gz JVXIELCLOMNTJZ-VQTJNVASSA-N 2 0 332.488 2.228 10 0 EEAERP C[C@H](CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[S@](C)=O ZINC000358316373 465055695 /nfs/dbraw/zinc/05/56/95/465055695.db2.gz IFGCTOIBUZCGDL-GTQRCTGISA-N 2 0 326.506 2.435 10 0 EEAERP C[N@H+](C[C@H](O)CNC1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000351711754 465308778 /nfs/dbraw/zinc/30/87/78/465308778.db2.gz JJGDHSLFNRKOHG-QGZVFWFLSA-N 2 0 338.879 2.390 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000074713018 462627184 /nfs/dbraw/zinc/62/71/84/462627184.db2.gz ZISZITCDCCZWOR-UHFFFAOYSA-N 2 0 345.491 2.035 10 0 EEAERP COc1ccccc1C[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000155116455 462849758 /nfs/dbraw/zinc/84/97/58/462849758.db2.gz QMCJJMPCFCCYKJ-MJGOQNOKSA-N 2 0 333.520 2.488 10 0 EEAERP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000048711588 462933522 /nfs/dbraw/zinc/93/35/22/462933522.db2.gz KOPSQLBXHWTWPK-CYBMUJFWSA-N 2 0 340.427 2.379 10 0 EEAERP C[C@@H](CCn1cccn1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000158884272 463256820 /nfs/dbraw/zinc/25/68/20/463256820.db2.gz HCCIUVCVYCMKEM-SFHVURJKSA-N 2 0 333.524 2.202 10 0 EEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](C)C1 ZINC000122742576 463289135 /nfs/dbraw/zinc/28/91/35/463289135.db2.gz RORHKJINSIOUKW-YJBOKZPZSA-N 2 0 336.524 2.421 10 0 EEAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000590859849 468358788 /nfs/dbraw/zinc/35/87/88/468358788.db2.gz TWRYVTSOSSGPQB-MSOLQXFVSA-N 2 0 336.524 2.234 10 0 EEAERP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc2s1 ZINC000262002443 463923323 /nfs/dbraw/zinc/92/33/23/463923323.db2.gz LLDIQTQFTDDLFB-HNNXBMFYSA-N 2 0 346.500 2.424 10 0 EEAERP C[NH2+]C1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000237147733 464272764 /nfs/dbraw/zinc/27/27/64/464272764.db2.gz JQQTWYLDZFSXBX-UHFFFAOYSA-N 2 0 344.503 2.041 10 0 EEAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248642219 464777533 /nfs/dbraw/zinc/77/75/33/464777533.db2.gz CZHGILNXXIRRDY-MOPGFXCFSA-N 2 0 333.476 2.379 10 0 EEAERP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000248861405 464812335 /nfs/dbraw/zinc/81/23/35/464812335.db2.gz MDYCFEHTGUWGKM-HRCADAONSA-N 2 0 333.476 2.039 10 0 EEAERP C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348224939 465498423 /nfs/dbraw/zinc/49/84/23/465498423.db2.gz ZRIZBUOALRVOFC-VQIMIIECSA-N 2 0 343.471 2.449 10 0 EEAERP Cc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc(C)c1O ZINC000298577111 465437842 /nfs/dbraw/zinc/43/78/42/465437842.db2.gz SOJUAHUJTLDWJA-UHFFFAOYSA-N 2 0 340.471 2.446 10 0 EEAERP COc1ccc(OC)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371296494 465695286 /nfs/dbraw/zinc/69/52/86/465695286.db2.gz ZWXWOFIJIUEDKK-KVSKMBFKSA-N 2 0 334.460 2.387 10 0 EEAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000349199915 466017151 /nfs/dbraw/zinc/01/71/51/466017151.db2.gz YTHRGTSXUGWPKW-SFHVURJKSA-N 2 0 325.460 2.431 10 0 EEAERP COCCn1cc2c(n1)[C@H](N[C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000353672310 466055933 /nfs/dbraw/zinc/05/59/33/466055933.db2.gz PZVNLVLQQSTFAM-TVFCKZIOSA-N 2 0 332.492 2.369 10 0 EEAERP COC(=O)[C@@H]1OCC[C@@H]1NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000597187018 468475501 /nfs/dbraw/zinc/47/55/01/468475501.db2.gz MOCJTRTZKYSYTJ-ZYSHUDEJSA-N 2 0 346.471 2.002 10 0 EEAERP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349788691 466242741 /nfs/dbraw/zinc/24/27/41/466242741.db2.gz ZKAOODSZDIGULF-OALUTQOASA-N 2 0 344.503 2.037 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000349828808 466260208 /nfs/dbraw/zinc/26/02/08/466260208.db2.gz NPCQRFIHRVIYLC-HNNXBMFYSA-N 2 0 333.505 2.049 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417028850 466758445 /nfs/dbraw/zinc/75/84/45/466758445.db2.gz BYQJKMOYXLOGNP-OKZBNKHCSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417028847 466758845 /nfs/dbraw/zinc/75/88/45/466758845.db2.gz BYQJKMOYXLOGNP-KURKYZTESA-N 2 0 336.524 2.140 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417186550 466797283 /nfs/dbraw/zinc/79/72/83/466797283.db2.gz WUQNMXDOYOFMHT-QZTJIDSGSA-N 2 0 344.434 2.428 10 0 EEAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000417656649 466901099 /nfs/dbraw/zinc/90/10/99/466901099.db2.gz GRBJWTQGSRUODN-HIFRSBDPSA-N 2 0 336.455 2.156 10 0 EEAERP C[NH2+]CCCNC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417678520 466906073 /nfs/dbraw/zinc/90/60/73/466906073.db2.gz GSGWQRRKMBRMAP-SFHVURJKSA-N 2 0 346.519 2.368 10 0 EEAERP [NH3+][C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792484 466936341 /nfs/dbraw/zinc/93/63/41/466936341.db2.gz KOAOOJFNTUHWFS-QZTJIDSGSA-N 2 0 330.476 2.250 10 0 EEAERP C[C@H](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417820868 466945116 /nfs/dbraw/zinc/94/51/16/466945116.db2.gz VFVNHGNMBORKBO-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+]1CCC(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000370678300 466963045 /nfs/dbraw/zinc/96/30/45/466963045.db2.gz WABCLUZRPYYKSZ-VQTJNVASSA-N 2 0 341.499 2.451 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418021548 467025954 /nfs/dbraw/zinc/02/59/54/467025954.db2.gz JMNIADQZWUDWSH-GOSISDBHSA-N 2 0 330.476 2.418 10 0 EEAERP C[C@@H](CCC[NH3+])NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418047664 467033246 /nfs/dbraw/zinc/03/32/46/467033246.db2.gz UEUIINHJWITDFJ-LPHOPBHVSA-N 2 0 332.492 2.468 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000418242886 467083303 /nfs/dbraw/zinc/08/33/03/467083303.db2.gz RAFRHVLVLMXYFA-JKSUJKDBSA-N 2 0 341.459 2.390 10 0 EEAERP CCCN(C(=O)NCCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418311165 467091485 /nfs/dbraw/zinc/09/14/85/467091485.db2.gz LFCNLCLJMOCUTG-GOSISDBHSA-N 2 0 332.492 2.421 10 0 EEAERP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418431334 467109787 /nfs/dbraw/zinc/10/97/87/467109787.db2.gz WSKLKAUIMIAUQT-ZWKOTPCHSA-N 2 0 332.492 2.276 10 0 EEAERP [NH3+][C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418443310 467111522 /nfs/dbraw/zinc/11/15/22/467111522.db2.gz FMKSTNHRCKSJNN-MSOLQXFVSA-N 2 0 330.476 2.346 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000418455943 467113853 /nfs/dbraw/zinc/11/38/53/467113853.db2.gz FBBQUPFJFWVVLG-OAHLLOKOSA-N 2 0 330.476 2.476 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418565883 467129464 /nfs/dbraw/zinc/12/94/64/467129464.db2.gz ZGIRAHWEPYHXDA-BHIYHBOVSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418607035 467135095 /nfs/dbraw/zinc/13/50/95/467135095.db2.gz ZYAFDSWMKSVCCL-APWZRJJASA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418613145 467136297 /nfs/dbraw/zinc/13/62/97/467136297.db2.gz IKPAQJOUFQOXRS-BHIYHBOVSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418613148 467136313 /nfs/dbraw/zinc/13/63/13/467136313.db2.gz IKPAQJOUFQOXRS-QRQLOZEOSA-N 2 0 344.503 2.148 10 0 EEAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000428525478 467242271 /nfs/dbraw/zinc/24/22/71/467242271.db2.gz ZUHHHCHZETZLIQ-KRWDZBQOSA-N 2 0 347.503 2.057 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420365293 467380088 /nfs/dbraw/zinc/38/00/88/467380088.db2.gz JALIBXIRAMMCJR-GOSISDBHSA-N 2 0 333.501 2.098 10 0 EEAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388539358 467397128 /nfs/dbraw/zinc/39/71/28/467397128.db2.gz TWEKVJIJRAVMDL-IPMKNSEASA-N 2 0 329.488 2.484 10 0 EEAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297750 467399329 /nfs/dbraw/zinc/39/93/29/467399329.db2.gz GNNNCPYUMZBPQS-PXNSSMCTSA-N 2 0 343.515 2.086 10 0 EEAERP COC(=O)c1cccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420413126 467399832 /nfs/dbraw/zinc/39/98/32/467399832.db2.gz ZTAVZEZYFRTSTD-WMZOPIPTSA-N 2 0 332.444 2.316 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000453266893 467473766 /nfs/dbraw/zinc/47/37/66/467473766.db2.gz XTJDANJWPUEQMQ-NRSPTQNISA-N 2 0 345.531 2.333 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000415117489 467494195 /nfs/dbraw/zinc/49/41/95/467494195.db2.gz VMNYOHFXPZLOIJ-LLVKDONJSA-N 2 0 330.259 2.280 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000449166209 467621633 /nfs/dbraw/zinc/62/16/33/467621633.db2.gz ZHEQMKMPFQWGKF-SFHVURJKSA-N 3 0 345.531 2.128 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000449519498 467655173 /nfs/dbraw/zinc/65/51/73/467655173.db2.gz CSEQDMTWYQKXCF-PZJWPPBQSA-N 2 0 342.531 2.355 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccccc1 ZINC000458596179 467864285 /nfs/dbraw/zinc/86/42/85/467864285.db2.gz WPEGYCVEGPHCBX-NEWSRXKRSA-N 2 0 344.503 2.463 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000530243089 467967358 /nfs/dbraw/zinc/96/73/58/467967358.db2.gz VXRKXTAGPMCGMY-GOSISDBHSA-N 2 0 349.450 2.245 10 0 EEAERP C[N@H+](CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccc(F)cc1 ZINC000515143695 467975693 /nfs/dbraw/zinc/97/56/93/467975693.db2.gz PYVHGFLUQCNJSN-IBGZPJMESA-N 2 0 348.466 2.043 10 0 EEAERP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000516200468 468018901 /nfs/dbraw/zinc/01/89/01/468018901.db2.gz KFQKXRJIXCDNME-KZNAEPCWSA-N 2 0 331.460 2.234 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000494422150 468054705 /nfs/dbraw/zinc/05/47/05/468054705.db2.gz BEBKDECLNKUANP-RTBURBONSA-N 2 0 331.504 2.468 10 0 EEAERP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000517060906 468068255 /nfs/dbraw/zinc/06/82/55/468068255.db2.gz PMQMGOKDRRLUQA-JSGCOSHPSA-N 2 0 328.416 2.283 10 0 EEAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000494947653 468081352 /nfs/dbraw/zinc/08/13/52/468081352.db2.gz ANGWRZVDFXYIHF-RUXDESIVSA-N 2 0 347.425 2.439 10 0 EEAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000567661815 468177757 /nfs/dbraw/zinc/17/77/57/468177757.db2.gz SRYSLMBJHRPHCU-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000520567535 468258843 /nfs/dbraw/zinc/25/88/43/468258843.db2.gz LWQOEWCNDMJLEY-QYZOEREBSA-N 2 0 341.430 2.039 10 0 EEAERP NCC(F)(F)CC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000570221819 468606465 /nfs/dbraw/zinc/60/64/65/468606465.db2.gz GQBFDVMOZRAJMU-LLVKDONJSA-N 2 0 347.356 2.030 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000570327128 468621937 /nfs/dbraw/zinc/62/19/37/468621937.db2.gz PHUDLZWJLZKCJY-UHFFFAOYSA-N 2 0 347.503 2.431 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1CC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000584001683 468785048 /nfs/dbraw/zinc/78/50/48/468785048.db2.gz SKYVIVKNFPFAJC-MRXNPFEDSA-N 2 0 337.467 2.364 10 0 EEAERP CCC[C@H]1CN(C(=O)Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000584189824 468817564 /nfs/dbraw/zinc/81/75/64/468817564.db2.gz VFGIZPLMQWQYNT-SFHVURJKSA-N 2 0 326.444 2.396 10 0 EEAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000560515058 468824210 /nfs/dbraw/zinc/82/42/10/468824210.db2.gz BKCLFZKUYBANSC-FGTMMUONSA-N 2 0 330.476 2.167 10 0 EEAERP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000584525215 468891496 /nfs/dbraw/zinc/89/14/96/468891496.db2.gz XZEVFGWSMUIJTA-KVZIAJEVSA-N 2 0 348.487 2.339 10 0 EEAERP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000601972797 469120170 /nfs/dbraw/zinc/12/01/70/469120170.db2.gz PKHWBPQEVVTBNC-GOEBONIOSA-N 2 0 334.460 2.495 10 0 EEAERP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655882 469323733 /nfs/dbraw/zinc/32/37/33/469323733.db2.gz ZCOPVLYMOFUVNN-QWHCGFSZSA-N 2 0 330.213 2.303 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629418802 469535837 /nfs/dbraw/zinc/53/58/37/469535837.db2.gz UBHLGQFQWADQPD-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629524411 469573256 /nfs/dbraw/zinc/57/32/56/469573256.db2.gz QZXKEGHXUCVANE-MISXGVKJSA-N 2 0 340.265 2.330 10 0 EEAERP CCNC(=O)COc1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623363246 469635495 /nfs/dbraw/zinc/63/54/95/469635495.db2.gz IZVLBOWZRFCXIW-INIZCTEOSA-N 2 0 333.476 2.164 10 0 EEAERP O=C(NCC[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623544732 469688283 /nfs/dbraw/zinc/68/82/83/469688283.db2.gz IGAQLYKGDKPYDT-VQTJNVASSA-N 2 0 341.499 2.357 10 0 EEAERP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715047 469742653 /nfs/dbraw/zinc/74/26/53/469742653.db2.gz RKTHFKMOVDZMDE-WMZOPIPTSA-N 2 0 336.524 2.425 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000620192923 469785230 /nfs/dbraw/zinc/78/52/30/469785230.db2.gz WRELPNFNYHXTJB-OALUTQOASA-N 2 0 341.499 2.357 10 0 EEAERP C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011821 469789315 /nfs/dbraw/zinc/78/93/15/469789315.db2.gz KTYDRAVWPIKVKP-SMOSDQRPSA-N 2 0 348.535 2.280 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050191 469802145 /nfs/dbraw/zinc/80/21/45/469802145.db2.gz DRSWJONYYGFSEG-SJLPKXTDSA-N 2 0 344.503 2.481 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000627170598 469832629 /nfs/dbraw/zinc/83/26/29/469832629.db2.gz WDLUGYIVNXZVIX-ZWKOTPCHSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199490 469841455 /nfs/dbraw/zinc/84/14/55/469841455.db2.gz YBJDBZSBSDRZEJ-WMZOPIPTSA-N 2 0 344.503 2.433 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)CC[N@@H+]1C ZINC000630636643 469929266 /nfs/dbraw/zinc/92/92/66/469929266.db2.gz CHGYUZKFQGVEHI-FUHWJXTLSA-N 2 0 344.503 2.497 10 0 EEAERP CC[C@@H](C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[NH+](CC)CC ZINC000620915443 469950639 /nfs/dbraw/zinc/95/06/39/469950639.db2.gz KRZLJSDFZWYNQE-IRXDYDNUSA-N 2 0 339.524 2.209 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)CCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296537 470594982 /nfs/dbraw/zinc/59/49/82/470594982.db2.gz UPPJIFCIZUZAEW-PKOBYXMFSA-N 2 0 331.460 2.218 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(C(C)(C)C)cn3)C2)CC1 ZINC000643335652 470667705 /nfs/dbraw/zinc/66/77/05/470667705.db2.gz YDHOIYVUMKMLNZ-MRXNPFEDSA-N 2 0 344.503 2.277 10 0 EEAERP COCCC1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000643788481 470784733 /nfs/dbraw/zinc/78/47/33/470784733.db2.gz YFORQUQSXSFYHL-KRWDZBQOSA-N 2 0 347.503 2.029 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000636099642 470878471 /nfs/dbraw/zinc/87/84/71/470878471.db2.gz DOIPQUDINOZHBX-HCXYKTFWSA-N 2 0 327.472 2.075 10 0 EEAERP COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480975 470911390 /nfs/dbraw/zinc/91/13/90/470911390.db2.gz KQDRAQHKSKBDHR-HZPDHXFCSA-N 2 0 332.444 2.430 10 0 EEAERP CN(C)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657594898 471179343 /nfs/dbraw/zinc/17/93/43/471179343.db2.gz KUBGJAIHMWWXER-INIZCTEOSA-N 2 0 346.500 2.066 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCn2cncn2)CC1 ZINC000648446492 471207997 /nfs/dbraw/zinc/20/79/97/471207997.db2.gz XJPWQBLIZAOWEC-KRWDZBQOSA-N 2 0 327.476 2.353 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000648482671 471217545 /nfs/dbraw/zinc/21/75/45/471217545.db2.gz FSWBEYRFACPEON-BBTUJRGHSA-N 2 0 345.531 2.391 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137172 471242623 /nfs/dbraw/zinc/24/26/23/471242623.db2.gz BRKOBBHSWJTEBQ-WBVHZDCISA-N 2 0 330.476 2.250 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659037302 471479370 /nfs/dbraw/zinc/47/93/70/471479370.db2.gz WNDCWBVWOBYAJX-JLSDUUJJSA-N 2 0 346.475 2.294 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659038923 471481225 /nfs/dbraw/zinc/48/12/25/471481225.db2.gz DRARDSKUOCIFQU-SFHVURJKSA-N 2 0 348.491 2.447 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000653210878 471537700 /nfs/dbraw/zinc/53/77/00/471537700.db2.gz KKNDCYDDHIAHQP-UHFFFAOYSA-N 2 0 326.444 2.062 10 0 EEAERP C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000656152739 471609241 /nfs/dbraw/zinc/60/92/41/471609241.db2.gz FATBQLFCJJXUAW-FZYTWRFKSA-N 2 0 348.487 2.398 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659434262 471625139 /nfs/dbraw/zinc/62/51/39/471625139.db2.gz VBEUYGGZRMOYLY-UHFFFAOYSA-N 2 0 330.476 2.161 10 0 EEAERP C[C@@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000659467489 471642518 /nfs/dbraw/zinc/64/25/18/471642518.db2.gz NOHBNAYPHWZOAU-NVXWUHKLSA-N 2 0 338.540 2.384 10 0 EEAERP CCN(C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664126058 471647198 /nfs/dbraw/zinc/64/71/98/471647198.db2.gz KAFYKLLMCPMPCU-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2COCCO2)cc1 ZINC000656407886 471711113 /nfs/dbraw/zinc/71/11/13/471711113.db2.gz UOLASNCYCDXDPJ-ZPAWYTMASA-N 2 0 342.483 2.244 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC000664875128 471886756 /nfs/dbraw/zinc/88/67/56/471886756.db2.gz WAVBQBNDNKMCMG-JYJNAYRXSA-N 2 0 336.480 2.444 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1F ZINC000654446394 471963396 /nfs/dbraw/zinc/96/33/96/471963396.db2.gz GLTHFMQEIBYUNR-FZNQNYSPSA-N 2 0 336.455 2.027 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667962456 471965010 /nfs/dbraw/zinc/96/50/10/471965010.db2.gz POGOLGRYXVCAQB-UFYCRDLUSA-N 2 0 330.472 2.300 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667962454 471965069 /nfs/dbraw/zinc/96/50/69/471965069.db2.gz POGOLGRYXVCAQB-HSALFYBXSA-N 2 0 330.472 2.300 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000665435044 472046391 /nfs/dbraw/zinc/04/63/91/472046391.db2.gz SHHMTGWWVFLULD-UHFFFAOYSA-N 2 0 348.491 2.433 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000662426317 472105871 /nfs/dbraw/zinc/10/58/71/472105871.db2.gz WZAXNMPCCLHPLF-IBGZPJMESA-N 2 0 347.503 2.431 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662658849 472191149 /nfs/dbraw/zinc/19/11/49/472191149.db2.gz KKTIJHBWYZGKIM-YTQUADARSA-N 2 0 329.488 2.150 10 0 EEAERP C[NH+](C)CCN(C(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000662698141 472213738 /nfs/dbraw/zinc/21/37/38/472213738.db2.gz ICILSHODHOQKLE-UHFFFAOYSA-N 2 0 342.443 2.350 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793633 472253523 /nfs/dbraw/zinc/25/35/23/472253523.db2.gz KWZBELCQLSPAOR-HIFRSBDPSA-N 2 0 342.443 2.119 10 0 EEAERP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nnn1C[C@H]1CCOC1 ZINC000631072085 485765174 /nfs/dbraw/zinc/76/51/74/485765174.db2.gz SITOJFAXMJRATH-QGZVFWFLSA-N 2 0 335.496 2.060 10 0 EEAERP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nnn1C[C@@H]1CCOC1 ZINC000631072084 485765449 /nfs/dbraw/zinc/76/54/49/485765449.db2.gz SITOJFAXMJRATH-KRWDZBQOSA-N 2 0 335.496 2.060 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000675180185 485921094 /nfs/dbraw/zinc/92/10/94/485921094.db2.gz DVYTYQJEJZBBLO-RTBURBONSA-N 2 0 346.519 2.333 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CCCc2cccnc21)C(=O)NCC[NH+](C)C ZINC000684962162 486046943 /nfs/dbraw/zinc/04/69/43/486046943.db2.gz YGOUTSFMGZQZOM-SJORKVTESA-N 2 0 332.492 2.141 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000672754012 486185872 /nfs/dbraw/zinc/18/58/72/486185872.db2.gz HOUBUCLDZVNEJD-RYRKJORJSA-N 2 0 332.492 2.380 10 0 EEAERP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000677363314 486422362 /nfs/dbraw/zinc/42/23/62/486422362.db2.gz FNDOXHUCVYZLPF-IAGOWNOFSA-N 2 0 329.488 2.450 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173833505 534094386 /nfs/dbraw/zinc/09/43/86/534094386.db2.gz PYFHHGRLLCDAOS-LPHOPBHVSA-N 2 0 344.503 2.169 10 0 EEAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000173902289 527835568 /nfs/dbraw/zinc/83/55/68/527835568.db2.gz KXPRLEXXQNNHCM-AEFFLSMTSA-N 2 0 340.895 2.491 10 0 EEAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC000425061576 536488550 /nfs/dbraw/zinc/48/85/50/536488550.db2.gz ZQPCOAAOUHUFOP-RBUKOAKNSA-N 2 0 327.472 2.449 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)OCC[NH+]3CCCCC3)cc2)CC1 ZINC000770382525 577595128 /nfs/dbraw/zinc/59/51/28/577595128.db2.gz OSRHIGWQEJJBJZ-UHFFFAOYSA-N 2 0 345.487 2.471 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000753533328 577789433 /nfs/dbraw/zinc/78/94/33/577789433.db2.gz UQFNFMJTZDKJTP-HNNXBMFYSA-N 2 0 328.416 2.161 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccns1 ZINC000925232306 688001064 /nfs/dbraw/zinc/00/10/64/688001064.db2.gz IMHQXGMRWPMYQI-ZDUSSCGKSA-N 2 0 338.521 2.420 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](CCOCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266322943 1176279352 /nfs/dbraw/zinc/27/93/52/1176279352.db2.gz QMRJTXGJPRPOML-IEBWSBKVSA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001266551696 1176821877 /nfs/dbraw/zinc/82/18/77/1176821877.db2.gz XTJSLVFAKZCMLM-HNNXBMFYSA-N 2 0 338.883 2.013 10 0 EEAERP CN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724146 1177307191 /nfs/dbraw/zinc/30/71/91/1177307191.db2.gz FQXNDWSFPIPKOI-SFHVURJKSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724683 1177309324 /nfs/dbraw/zinc/30/93/24/1177309324.db2.gz XVGRSUSHJQWROG-GOSISDBHSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266730143 1177315921 /nfs/dbraw/zinc/31/59/21/1177315921.db2.gz NCZSMHXSIHVNCV-HDICACEKSA-N 2 0 345.487 2.015 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001266767694 1177383680 /nfs/dbraw/zinc/38/36/80/1177383680.db2.gz QGCGNSOYFDZRCN-GOSISDBHSA-N 2 0 332.492 2.142 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1)[NH+](C)C ZINC001266877450 1177686574 /nfs/dbraw/zinc/68/65/74/1177686574.db2.gz DXYOEYHGTQJUKG-MJGOQNOKSA-N 2 0 347.503 2.376 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001266883154 1177699516 /nfs/dbraw/zinc/69/95/16/1177699516.db2.gz VOIKWEVLQFXSQK-JKSUJKDBSA-N 2 0 348.491 2.110 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001691360093 1177967826 /nfs/dbraw/zinc/96/78/26/1177967826.db2.gz OAQNAFFRRPZFOZ-ROUUACIJSA-N 2 0 333.451 2.391 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691403103 1178012716 /nfs/dbraw/zinc/01/27/16/1178012716.db2.gz XZTHKDOHGOIMMR-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267109986 1178265676 /nfs/dbraw/zinc/26/56/76/1178265676.db2.gz ORUCXZPBUFJBEN-HOTGVXAUSA-N 2 0 335.467 2.289 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001267116476 1178279421 /nfs/dbraw/zinc/27/94/21/1178279421.db2.gz BPEWMOHONMBSJH-LJQANCHMSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267162532 1178360078 /nfs/dbraw/zinc/36/00/78/1178360078.db2.gz GLYMEYLJPOOCAT-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP COCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267223154 1178534654 /nfs/dbraw/zinc/53/46/54/1178534654.db2.gz XENVVJPHFNDQNF-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(OC)ccc1Cl)[NH+](C)C ZINC001267456541 1179040226 /nfs/dbraw/zinc/04/02/26/1179040226.db2.gz ASXUXNCPAKWVRK-INIZCTEOSA-N 2 0 341.883 2.237 10 0 EEAERP C[C@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267593497 1179589186 /nfs/dbraw/zinc/58/91/86/1179589186.db2.gz MAAMFGXSOHDZDR-IAGOWNOFSA-N 2 0 347.507 2.050 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001481118502 1179787322 /nfs/dbraw/zinc/78/73/22/1179787322.db2.gz JLYXPVHRASBDDZ-IAGOWNOFSA-N 2 0 347.507 2.016 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481215525 1180294392 /nfs/dbraw/zinc/29/43/92/1180294392.db2.gz KKKQAZICDZMEFN-HNNXBMFYSA-N 2 0 343.393 2.348 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCCCCF)CCCC2)CC[N@@H+]1C ZINC001267837088 1180609680 /nfs/dbraw/zinc/60/96/80/1180609680.db2.gz DZKPVHZENFPBFI-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCC(F)(F)F)CC2)C1 ZINC001267919121 1180763457 /nfs/dbraw/zinc/76/34/57/1180763457.db2.gz PNPDXCWZUBJKEG-CQSZACIVSA-N 2 0 335.414 2.109 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001267954037 1180828799 /nfs/dbraw/zinc/82/87/99/1180828799.db2.gz XPBSLZMPJSHTHF-MOPGFXCFSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001267983277 1180917364 /nfs/dbraw/zinc/91/73/64/1180917364.db2.gz YWCWUBRFVKTFRX-IEBWSBKVSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001267994297 1180936443 /nfs/dbraw/zinc/93/64/43/1180936443.db2.gz QBZKLSUJBGVSJZ-UONOGXRCSA-N 2 0 337.430 2.401 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001268041398 1181450445 /nfs/dbraw/zinc/45/04/45/1181450445.db2.gz VRDWAUAOXCDMEK-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1 ZINC001481682191 1182197607 /nfs/dbraw/zinc/19/76/07/1182197607.db2.gz ZYKDLESZEUYDCB-GJZGRUSLSA-N 2 0 329.435 2.049 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379379 1182403892 /nfs/dbraw/zinc/40/38/92/1182403892.db2.gz QYFWKSSPFQVBLF-VXGBXAGGSA-N 2 0 344.912 2.265 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001481732223 1182413006 /nfs/dbraw/zinc/41/30/06/1182413006.db2.gz JODVKDDUYDMNGO-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC(C)C)C2)C1 ZINC001481739439 1182458072 /nfs/dbraw/zinc/45/80/72/1182458072.db2.gz XYEIFBJYURMEIE-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001268395153 1182464750 /nfs/dbraw/zinc/46/47/50/1182464750.db2.gz PUJZJSJFJKGKTL-WWGRRREGSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)CC[NH+](C)C ZINC001268395386 1182465135 /nfs/dbraw/zinc/46/51/35/1182465135.db2.gz CRXDBOUKXUWAEK-ZDUSSCGKSA-N 2 0 334.489 2.232 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424401 1182591113 /nfs/dbraw/zinc/59/11/13/1182591113.db2.gz UTFOUDNKBBPEOK-DZGCQCFKSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481823295 1182742582 /nfs/dbraw/zinc/74/25/82/1182742582.db2.gz CMTZXDMYEYEQNM-ZWKOTPCHSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C2CC2)o1 ZINC001481929600 1182975222 /nfs/dbraw/zinc/97/52/22/1182975222.db2.gz BSTLLZXBNBUBLN-QFBILLFUSA-N 2 0 348.491 2.232 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(C(C)C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268496911 1183018485 /nfs/dbraw/zinc/01/84/85/1183018485.db2.gz ARXDDIJLSLGFQE-MRXNPFEDSA-N 2 0 332.492 2.095 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001482000967 1183115125 /nfs/dbraw/zinc/11/51/25/1183115125.db2.gz UHADWLBCWBLKCP-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001268541746 1183212131 /nfs/dbraw/zinc/21/21/31/1183212131.db2.gz IWUDMFMEFMKUBZ-FZPJKSOWSA-N 2 0 345.462 2.415 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550761 1183235379 /nfs/dbraw/zinc/23/53/79/1183235379.db2.gz UMUYTSLMUUWIQU-SHCNBLLESA-N 2 0 346.475 2.152 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482068090 1183289943 /nfs/dbraw/zinc/28/99/43/1183289943.db2.gz CGLVDEILNOIPLD-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001268614796 1183529677 /nfs/dbraw/zinc/52/96/77/1183529677.db2.gz YRZOMHMWWYZOJX-FAAWYNLUSA-N 2 0 337.414 2.069 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\CNCc1coc(C2CC2)n1 ZINC001268627268 1183550294 /nfs/dbraw/zinc/55/02/94/1183550294.db2.gz GUHKAPDPVGWIDP-JQBDECOXSA-N 2 0 346.475 2.187 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268715928 1183634987 /nfs/dbraw/zinc/63/49/87/1183634987.db2.gz UDGLZKIUWUYJJT-STQMWFEESA-N 2 0 341.858 2.068 10 0 EEAERP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001268843127 1183760745 /nfs/dbraw/zinc/76/07/45/1183760745.db2.gz DMAACZQHBPOJRU-CHYADLBTSA-N 2 0 330.476 2.240 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCCO1 ZINC001268992703 1183882539 /nfs/dbraw/zinc/88/25/39/1183882539.db2.gz BPOVYKSLHKNALM-FHWLQOOXSA-N 2 0 349.519 2.107 10 0 EEAERP COCC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001269670269 1184491822 /nfs/dbraw/zinc/49/18/22/1184491822.db2.gz JUQNXABRCVNPEY-LPHOPBHVSA-N 2 0 339.524 2.019 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001269741736 1184575936 /nfs/dbraw/zinc/57/59/36/1184575936.db2.gz OQUBCLLLFCEPQG-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](CC[NH2+]Cc3ccon3)C2)CC1 ZINC001269784525 1184618882 /nfs/dbraw/zinc/61/88/82/1184618882.db2.gz HLXKUJLOMSYTLD-KRWDZBQOSA-N 2 0 348.491 2.125 10 0 EEAERP CO[C@@H](C)C[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001269894748 1184700519 /nfs/dbraw/zinc/70/05/19/1184700519.db2.gz AVEJAVYIYFZOGX-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001270595865 1185192557 /nfs/dbraw/zinc/19/25/57/1185192557.db2.gz QNHNFZUSMOFUFK-MJGOQNOKSA-N 2 0 331.504 2.221 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccc2)C1 ZINC001482461455 1185927532 /nfs/dbraw/zinc/92/75/32/1185927532.db2.gz OVAXBMGAHSPQPH-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001271129941 1185939158 /nfs/dbraw/zinc/93/91/58/1185939158.db2.gz RAJHBQQSLANGHO-IRXDYDNUSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271740141 1186453202 /nfs/dbraw/zinc/45/32/02/1186453202.db2.gz SAGTYSSSBDEADA-SJLPKXTDSA-N 2 0 340.471 2.412 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272042364 1187229970 /nfs/dbraw/zinc/22/99/70/1187229970.db2.gz DGUUGJGPDDBIDW-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482844699 1187763460 /nfs/dbraw/zinc/76/34/60/1187763460.db2.gz ARRFKAAELMPVFS-LPHOPBHVSA-N 2 0 347.503 2.302 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)sc1C ZINC001482845092 1187764785 /nfs/dbraw/zinc/76/47/85/1187764785.db2.gz CIOVLSYSRNSVKT-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001482885806 1187801339 /nfs/dbraw/zinc/80/13/39/1187801339.db2.gz QBQPRVRPCSBBHG-KRWDZBQOSA-N 2 0 349.523 2.180 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482892100 1187819625 /nfs/dbraw/zinc/81/96/25/1187819625.db2.gz WGFUXQHJWBMDMM-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@H](C(=O)N1CCC([N@@H+](CC=C(C)C)CCOC)CC1)[NH+](C)C ZINC001670994050 1193540657 /nfs/dbraw/zinc/54/06/57/1193540657.db2.gz LOZYHCGIEDKESC-GOSISDBHSA-N 2 0 339.524 2.232 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC001671045536 1193553422 /nfs/dbraw/zinc/55/34/22/1193553422.db2.gz XIUOSZQMCGKSRM-SFHVURJKSA-N 2 0 327.488 2.392 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001272822730 1193562135 /nfs/dbraw/zinc/56/21/35/1193562135.db2.gz HUYLOJCHSVLETI-ZFWWWQNUSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001272881664 1193591384 /nfs/dbraw/zinc/59/13/84/1193591384.db2.gz JZZNLYJSHPQBGS-GOEBONIOSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001483166674 1188993323 /nfs/dbraw/zinc/99/33/23/1188993323.db2.gz NFSUNPPWBIAIRO-IAGOWNOFSA-N 2 0 347.503 2.410 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001483172213 1189024025 /nfs/dbraw/zinc/02/40/25/1189024025.db2.gz JYQHFNKOYOPLPW-CRAIPNDOSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001483188428 1189060102 /nfs/dbraw/zinc/06/01/02/1189060102.db2.gz IODVYSXUQZTGRO-XLIONFOSSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)s1 ZINC001483197584 1189083057 /nfs/dbraw/zinc/08/30/57/1189083057.db2.gz MUMQIRMLOHYCMZ-CZUORRHYSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@@H](F)C[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001409462515 1189724178 /nfs/dbraw/zinc/72/41/78/1189724178.db2.gz YYFDDLQYVZGYGF-KLAILNCOSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235746 1190016724 /nfs/dbraw/zinc/01/67/24/1190016724.db2.gz YMHKLEQZGVVSKT-DLBZAZTESA-N 2 0 343.515 2.370 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001409666903 1190165735 /nfs/dbraw/zinc/16/57/35/1190165735.db2.gz ADKHYCMVNPTMEU-KBXCAEBGSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)s1 ZINC001483266732 1190291322 /nfs/dbraw/zinc/29/13/22/1190291322.db2.gz SKWLGSUDPNNBBO-LBPRGKRZSA-N 2 0 326.510 2.024 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)sn1 ZINC001483272439 1190296166 /nfs/dbraw/zinc/29/61/66/1190296166.db2.gz XQHPZSFTCFEEEO-HOCLYGCPSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272009 1190296433 /nfs/dbraw/zinc/29/64/33/1190296433.db2.gz GLOMUKBYPVKCMF-LBPRGKRZSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H](C[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)OC ZINC001483492542 1190509977 /nfs/dbraw/zinc/50/99/77/1190509977.db2.gz FNZLYEHUCULYNO-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2CC2)c(C)n1 ZINC001483567925 1190557387 /nfs/dbraw/zinc/55/73/87/1190557387.db2.gz WEGDDLVDMDRROT-OALUTQOASA-N 2 0 346.519 2.269 10 0 EEAERP O=C(N[C@@H](C[NH2+]CC[C@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001483571199 1190560780 /nfs/dbraw/zinc/56/07/80/1190560780.db2.gz DYSUJKQCOSTIKX-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001483593287 1190577720 /nfs/dbraw/zinc/57/77/20/1190577720.db2.gz UZBLUROCAZXZJL-OALUTQOASA-N 2 0 344.503 2.329 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCOC(C)C ZINC001483615612 1190591609 /nfs/dbraw/zinc/59/16/09/1190591609.db2.gz OFURQQTUPJBLHO-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1[NH2+]CCOC ZINC001483616328 1190592313 /nfs/dbraw/zinc/59/23/13/1190592313.db2.gz RUAPHJMFCMMUCD-MAUKXSAKSA-N 2 0 344.459 2.119 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001483670867 1190730911 /nfs/dbraw/zinc/73/09/11/1190730911.db2.gz RZYIRAYTFSFAIA-AWEZNQCLSA-N 2 0 329.435 2.097 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001272302508 1190752077 /nfs/dbraw/zinc/75/20/77/1190752077.db2.gz TWMYWECHBQYNII-OLZOCXBDSA-N 2 0 335.414 2.155 10 0 EEAERP O=C(c1cc2c[nH]ccc-2n1)N1CC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001272475289 1190840714 /nfs/dbraw/zinc/84/07/14/1190840714.db2.gz OBWIHIQKGDOHJH-ZDUSSCGKSA-N 2 0 339.399 2.193 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]CCC(F)(F)F)C2)CC1 ZINC001272583465 1190899229 /nfs/dbraw/zinc/89/92/29/1190899229.db2.gz ZPMOBRFDRBMUGB-HNNXBMFYSA-N 2 0 349.441 2.499 10 0 EEAERP CC1(C)CC(C[NH2+]CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001272616753 1190932044 /nfs/dbraw/zinc/93/20/44/1190932044.db2.gz OXIGARCYDBWGJU-MRXNPFEDSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001483908363 1191120185 /nfs/dbraw/zinc/12/01/85/1191120185.db2.gz JHIYIPXYBNIEGX-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001483955893 1191130448 /nfs/dbraw/zinc/13/04/48/1191130448.db2.gz VDKUBZVSJZKTBN-IUYMFKLXSA-N 2 0 327.472 2.376 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001483971545 1191131945 /nfs/dbraw/zinc/13/19/45/1191131945.db2.gz JBFUTDRYZCDZFZ-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001484122690 1191222102 /nfs/dbraw/zinc/22/21/02/1191222102.db2.gz UIPVFRIIJUUHAF-IUODEOHRSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001484152374 1191238544 /nfs/dbraw/zinc/23/85/44/1191238544.db2.gz LKOGSDXDRXYPIR-ICSRJNTNSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)s1 ZINC001484345738 1191312772 /nfs/dbraw/zinc/31/27/72/1191312772.db2.gz GCQGEWMFMGMGGL-UKRRQHHQSA-N 2 0 338.521 2.120 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484541800 1191406632 /nfs/dbraw/zinc/40/66/32/1191406632.db2.gz RHYQWWSDDKYXQY-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ocnc1C ZINC001484768897 1191523047 /nfs/dbraw/zinc/52/30/47/1191523047.db2.gz JQCHOELDMDLOLU-INIZCTEOSA-N 2 0 336.480 2.138 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCOCC1 ZINC001484870985 1191556224 /nfs/dbraw/zinc/55/62/24/1191556224.db2.gz ONBUXOAFSLZJBT-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197769 1191682453 /nfs/dbraw/zinc/68/24/53/1191682453.db2.gz FKMARHNLLKLUDJ-HOTGVXAUSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001485224422 1191696670 /nfs/dbraw/zinc/69/66/70/1191696670.db2.gz IOAVDXFJGTXRPN-CVEARBPZSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)co1 ZINC001485253488 1191704715 /nfs/dbraw/zinc/70/47/15/1191704715.db2.gz JMVQPIKQIOIBTO-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001485441813 1191786133 /nfs/dbraw/zinc/78/61/33/1191786133.db2.gz VKNHAQIXPPVKIY-KGLIPLIRSA-N 2 0 337.430 2.353 10 0 EEAERP CC(C)OCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001485455356 1191791534 /nfs/dbraw/zinc/79/15/34/1191791534.db2.gz LYSUWRFFZBOUTG-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001486218707 1193757139 /nfs/dbraw/zinc/75/71/39/1193757139.db2.gz ZYWGNINJSCFBOT-WMZOPIPTSA-N 2 0 339.499 2.343 10 0 EEAERP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001486249040 1193776103 /nfs/dbraw/zinc/77/61/03/1193776103.db2.gz HTJVVZBXNSCVAA-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCc1ccccc1F)C(C)(C)C ZINC001486408328 1193916648 /nfs/dbraw/zinc/91/66/48/1193916648.db2.gz BQGCJNBKFHDOGJ-QGZVFWFLSA-N 2 0 337.483 2.440 10 0 EEAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](Cc2ccccn2)CC1 ZINC001486448677 1193963245 /nfs/dbraw/zinc/96/32/45/1193963245.db2.gz XWBGTGBUIGMYAR-INIZCTEOSA-N 2 0 344.503 2.140 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCOCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001273076928 1194370489 /nfs/dbraw/zinc/37/04/89/1194370489.db2.gz ZOGBJYRYOCMYNE-INIZCTEOSA-N 2 0 347.503 2.273 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccns2)C1 ZINC001410227990 1197617835 /nfs/dbraw/zinc/61/78/35/1197617835.db2.gz BBPKROSNQUZCTR-KKUMJFAQSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001410246186 1197631810 /nfs/dbraw/zinc/63/18/10/1197631810.db2.gz GXSUYWFSTCGTPU-GOSISDBHSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001410288982 1197663434 /nfs/dbraw/zinc/66/34/34/1197663434.db2.gz CTFUOBQSLUSQJX-OALUTQOASA-N 2 0 344.503 2.201 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cn1 ZINC001410378733 1197772998 /nfs/dbraw/zinc/77/29/98/1197772998.db2.gz ITOPAHHUNNBKKJ-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1F ZINC001410387397 1197785173 /nfs/dbraw/zinc/78/51/73/1197785173.db2.gz FXXNVUWCJOZFKL-DYVFJYSZSA-N 2 0 339.430 2.386 10 0 EEAERP C[NH+](C)C[C@H](N)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000871781379 1197899200 /nfs/dbraw/zinc/89/92/00/1197899200.db2.gz CWGSODGRWXPONY-INIZCTEOSA-N 2 0 329.448 2.284 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCO1 ZINC001273291836 1197961992 /nfs/dbraw/zinc/96/19/92/1197961992.db2.gz HCJPJKUNWHKPKA-SFHVURJKSA-N 2 0 342.443 2.103 10 0 EEAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000872037071 1198031782 /nfs/dbraw/zinc/03/17/82/1198031782.db2.gz AIYKRUHFZZKCCU-SFHVURJKSA-N 2 0 338.467 2.208 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001410507825 1198063551 /nfs/dbraw/zinc/06/35/51/1198063551.db2.gz YUBMOCCJFBBGTJ-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP CCC[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872255936 1198114116 /nfs/dbraw/zinc/11/41/16/1198114116.db2.gz OVCMYMBFGPJNCJ-MANSERQUSA-N 2 0 343.471 2.437 10 0 EEAERP C[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Cl)c1 ZINC000872257255 1198114680 /nfs/dbraw/zinc/11/46/80/1198114680.db2.gz OEVUCVWQWIUUDY-ZFVVBOAOSA-N 2 0 349.862 2.310 10 0 EEAERP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257346 1198114879 /nfs/dbraw/zinc/11/48/79/1198114879.db2.gz PRGQNPYIQBJLAU-XYPHTWIQSA-N 2 0 349.862 2.269 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Cl ZINC000872256398 1198115333 /nfs/dbraw/zinc/11/53/33/1198115333.db2.gz SSNOMVWHMIGTIG-IMJJTQAJSA-N 2 0 335.835 2.015 10 0 EEAERP CC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291916 1198132043 /nfs/dbraw/zinc/13/20/43/1198132043.db2.gz VTESYLKBWVZXRJ-OAHLLOKOSA-N 2 0 343.512 2.020 10 0 EEAERP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000865660911 1198320244 /nfs/dbraw/zinc/32/02/44/1198320244.db2.gz ZTYCGZCFFHZKRF-HOJAQTOUSA-N 2 0 345.531 2.474 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001410913232 1198565715 /nfs/dbraw/zinc/56/57/15/1198565715.db2.gz QAHSMIULOCDBJC-MJGOQNOKSA-N 2 0 348.491 2.192 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001411229237 1198939549 /nfs/dbraw/zinc/93/95/49/1198939549.db2.gz FHISKGNVSCGIBI-HUUCEWRRSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000810061082 1199252129 /nfs/dbraw/zinc/25/21/29/1199252129.db2.gz JYKPJRJAZKKVHO-GOSISDBHSA-N 2 0 325.472 2.286 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)C[C@H]1C[NH+](C)C ZINC000870018907 1200410929 /nfs/dbraw/zinc/41/09/29/1200410929.db2.gz ZGAVAKCIMAFKRE-GBJTYRQASA-N 2 0 349.441 2.163 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870024969 1200414041 /nfs/dbraw/zinc/41/40/41/1200414041.db2.gz JFPVQUNZYGBAMZ-QZTJIDSGSA-N 2 0 347.503 2.043 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870937321 1200967070 /nfs/dbraw/zinc/96/70/70/1200967070.db2.gz ZCWHVALQLVNUBX-SUHUHFCYSA-N 2 0 340.265 2.035 10 0 EEAERP CC1(C)[C@H](O)CC[NH+]1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000812865623 1200974699 /nfs/dbraw/zinc/97/46/99/1200974699.db2.gz QKFYSNNJBFKTIK-QZTJIDSGSA-N 2 0 332.488 2.377 10 0 EEAERP CS[C@@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000868180679 1201758542 /nfs/dbraw/zinc/75/85/42/1201758542.db2.gz IBNHWFCGYNJRBA-XUWVNRHRSA-N 2 0 334.489 2.011 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCCO1 ZINC001274023814 1204329745 /nfs/dbraw/zinc/32/97/45/1204329745.db2.gz FMUDTJWHUDYTJX-JTDRTSHGSA-N 2 0 337.508 2.080 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001275039768 1205242497 /nfs/dbraw/zinc/24/24/97/1205242497.db2.gz XRDDECADZDZHNC-VQIMIIECSA-N 2 0 347.503 2.415 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001275043062 1205243480 /nfs/dbraw/zinc/24/34/80/1205243480.db2.gz XRXORPIBTMQDBU-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001275054554 1205244727 /nfs/dbraw/zinc/24/47/27/1205244727.db2.gz YNCJWNCJINUZBZ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]Cc2cncn2C)CC1 ZINC001275632932 1205455389 /nfs/dbraw/zinc/45/53/89/1205455389.db2.gz PPAVTYSYZHEUJK-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCF)CC1 ZINC001275803996 1205540959 /nfs/dbraw/zinc/54/09/59/1205540959.db2.gz CUQYTXJEBLSPPT-IRXDYDNUSA-N 2 0 327.488 2.343 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275914900 1205583707 /nfs/dbraw/zinc/58/37/07/1205583707.db2.gz GOFSPWWTEJXBCQ-ROUUACIJSA-N 2 0 333.451 2.345 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001412164995 1205660819 /nfs/dbraw/zinc/66/08/19/1205660819.db2.gz LNMIIJNQAVBFOG-VNTMZGSJSA-N 2 0 341.499 2.353 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1 ZINC001412433578 1205723948 /nfs/dbraw/zinc/72/39/48/1205723948.db2.gz WLXRIKVRPSZPHU-UHFFFAOYSA-N 2 0 339.549 2.339 10 0 EEAERP C[NH+]1CCC(N(Cc2ccco2)C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001412531725 1205751322 /nfs/dbraw/zinc/75/13/22/1205751322.db2.gz ZJFIWALZFJMSNS-HNNXBMFYSA-N 2 0 337.439 2.136 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001276070634 1205760044 /nfs/dbraw/zinc/76/00/44/1205760044.db2.gz JSZNXKVNNSHZMA-IAGOWNOFSA-N 2 0 348.491 2.246 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924658061 1206012446 /nfs/dbraw/zinc/01/24/46/1206012446.db2.gz JPGKROWSPQKPRR-QUCCMNQESA-N 2 0 330.520 2.410 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551064 1206126611 /nfs/dbraw/zinc/12/66/11/1206126611.db2.gz DYULUGLTTRVOHO-ZKIDJSGLSA-N 2 0 341.499 2.339 10 0 EEAERP COc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)[NH+](C)C)cc1OC ZINC000925623802 1206136934 /nfs/dbraw/zinc/13/69/34/1206136934.db2.gz XBAQQYAUVHKEFR-WBAXXEDZSA-N 2 0 333.476 2.166 10 0 EEAERP O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925669681 1206141885 /nfs/dbraw/zinc/14/18/85/1206141885.db2.gz DTESGSJNOBDMEA-HNNXBMFYSA-N 2 0 336.867 2.147 10 0 EEAERP CNC(=O)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925667257 1206141917 /nfs/dbraw/zinc/14/19/17/1206141917.db2.gz BQUNFXFREYLFBV-RBUKOAKNSA-N 2 0 345.487 2.069 10 0 EEAERP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925817746 1206157565 /nfs/dbraw/zinc/15/75/65/1206157565.db2.gz WHXZJTIMXMWNKU-RBUKOAKNSA-N 2 0 345.487 2.181 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925858044 1206162093 /nfs/dbraw/zinc/16/20/93/1206162093.db2.gz RPMUVBKQDWIISL-DOTOQJQBSA-N 2 0 332.419 2.478 10 0 EEAERP C[C@H]1CCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)[C@H]1[NH3+] ZINC000927770363 1206300775 /nfs/dbraw/zinc/30/07/75/1206300775.db2.gz ZWCXUNIYSRJDMH-FTRWYGJKSA-N 2 0 347.503 2.144 10 0 EEAERP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931074429 1206604905 /nfs/dbraw/zinc/60/49/05/1206604905.db2.gz FJBMHUHCZZMXDU-BRWVUGGUSA-N 2 0 326.481 2.008 10 0 EEAERP Cn1c2ccccc2cc(CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1=O ZINC000931314633 1206623959 /nfs/dbraw/zinc/62/39/59/1206623959.db2.gz QGSOCNUQDZMXGO-PMACEKPBSA-N 2 0 325.456 2.312 10 0 EEAERP CC1(C)COC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717914465 1211517356 /nfs/dbraw/zinc/51/73/56/1211517356.db2.gz FOQCPMPEQIZTHZ-SFHVURJKSA-N 2 0 332.488 2.418 10 0 EEAERP Cc1nocc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717940748 1211638987 /nfs/dbraw/zinc/63/89/87/1211638987.db2.gz CEPHIQKGNWYXPP-UHFFFAOYSA-N 2 0 329.444 2.490 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001276353783 1213897994 /nfs/dbraw/zinc/89/79/94/1213897994.db2.gz UEQNFSIBBHSSHP-ZDUSSCGKSA-N 2 0 328.407 2.134 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC001412939984 1216136920 /nfs/dbraw/zinc/13/69/20/1216136920.db2.gz KLBSHCMESGOZIP-MSOLQXFVSA-N 2 0 329.488 2.450 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902957492 1239190421 /nfs/dbraw/zinc/19/04/21/1239190421.db2.gz IVXRAEVOHTYMGP-LMMKCTJWSA-N 2 0 331.504 2.242 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1F ZINC000903431634 1240453894 /nfs/dbraw/zinc/45/38/94/1240453894.db2.gz SUZQFQUNFMIBRE-QAPCUYQASA-N 2 0 347.478 2.318 10 0 EEAERP COc1cc(OC)cc(N2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903444918 1240490552 /nfs/dbraw/zinc/49/05/52/1240490552.db2.gz FEWFUUARONCVNA-CVEARBPZSA-N 2 0 333.476 2.071 10 0 EEAERP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)OCCO2 ZINC000903717983 1241708586 /nfs/dbraw/zinc/70/85/86/1241708586.db2.gz GTUREIGNFUMNRJ-FUHIMQAGSA-N 2 0 344.455 2.363 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cnn1C ZINC000903899847 1242397539 /nfs/dbraw/zinc/39/75/39/1242397539.db2.gz XOLNZBSYKGSEPN-XLIONFOSSA-N 2 0 341.503 2.422 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cnn1C ZINC000903902811 1242408906 /nfs/dbraw/zinc/40/89/06/1242408906.db2.gz NOMHVRFPBUTXBO-MSOLQXFVSA-N 2 0 342.487 2.247 10 0 EEAERP CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905203 1242420369 /nfs/dbraw/zinc/42/03/69/1242420369.db2.gz APEIBZKINHPGEN-ZNXRZULTSA-N 2 0 333.451 2.294 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(c3ccc(C)nc3)CC2)cnn1C ZINC000903910957 1242444407 /nfs/dbraw/zinc/44/44/07/1242444407.db2.gz TYXUAPCZUDFJPV-QGZVFWFLSA-N 2 0 341.503 2.429 10 0 EEAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001490975281 1258523899 /nfs/dbraw/zinc/52/38/99/1258523899.db2.gz IWSUWGFCXZOLRC-WZYMTQMTSA-N 2 0 343.462 2.485 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001490976759 1258526145 /nfs/dbraw/zinc/52/61/45/1258526145.db2.gz GZFONFDCDUKBQY-YQQQUEKLSA-N 2 0 344.503 2.425 10 0 EEAERP CN(CC[NH2+]CCc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415418 1276688836 /nfs/dbraw/zinc/68/88/36/1276688836.db2.gz KAJAEQUDXGNHCP-KRWDZBQOSA-N 2 0 339.430 2.040 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001267894203 1276793157 /nfs/dbraw/zinc/79/31/57/1276793157.db2.gz UVROWFUGBONKLM-NVXWUHKLSA-N 2 0 348.491 2.043 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)C1 ZINC000850506662 1277252825 /nfs/dbraw/zinc/25/28/25/1277252825.db2.gz BPOFYMDQIJADMU-WMZOPIPTSA-N 2 0 326.444 2.144 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[C@H]1F ZINC000851657107 1277704149 /nfs/dbraw/zinc/70/41/49/1277704149.db2.gz VDCUHSYHGLJDFG-IAGOWNOFSA-N 2 0 340.487 2.112 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc2c(c1)CCC2 ZINC001490279888 1291106569 /nfs/dbraw/zinc/10/65/69/1291106569.db2.gz PTLDPFDHIZUMEP-UHFFFAOYSA-N 2 0 329.488 2.209 10 0 EEAERP CCCCC[NH+]1CCC(N(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001490419697 1291329766 /nfs/dbraw/zinc/32/97/66/1291329766.db2.gz GUHAKNLJBFWEBI-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1)C1CCC1 ZINC001490673874 1291557642 /nfs/dbraw/zinc/55/76/42/1291557642.db2.gz LHURVQQLFUQRDO-XJKSGUPXSA-N 2 0 343.462 2.391 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760526 1292189583 /nfs/dbraw/zinc/18/95/83/1292189583.db2.gz HMMDSLYCOLUOFK-RHSMWYFYSA-N 2 0 328.403 2.041 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852859277 1292218289 /nfs/dbraw/zinc/21/82/89/1292218289.db2.gz RHLNNWDIOMRPAV-UHFFFAOYSA-N 2 0 345.487 2.333 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931377329 1297165587 /nfs/dbraw/zinc/16/55/87/1297165587.db2.gz WCDRLUQLYRLUCN-JKSUJKDBSA-N 2 0 330.476 2.443 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001276948557 1300433452 /nfs/dbraw/zinc/43/34/52/1300433452.db2.gz YOQIAPXPOSGVLG-XUXIUFHCSA-N 2 0 348.318 2.149 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ncccn1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001277185873 1301719449 /nfs/dbraw/zinc/71/94/49/1301719449.db2.gz BTATXOQYFYLNSB-MRXNPFEDSA-N 2 0 347.507 2.116 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001277718777 1304256680 /nfs/dbraw/zinc/25/66/80/1304256680.db2.gz XHJAELDMYADXOQ-OCCSQVGLSA-N 2 0 335.414 2.107 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001277763134 1304362531 /nfs/dbraw/zinc/36/25/31/1304362531.db2.gz JAPNMDPQTQWCCG-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001278017014 1305695902 /nfs/dbraw/zinc/69/59/02/1305695902.db2.gz GVWWLHAGBKEYIE-AEFFLSMTSA-N 2 0 347.503 2.016 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404655 1315592201 /nfs/dbraw/zinc/59/22/01/1315592201.db2.gz KDRRPJZFWXZEQY-FUHWJXTLSA-N 2 0 347.507 2.096 10 0 EEAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001278523027 1317136252 /nfs/dbraw/zinc/13/62/52/1317136252.db2.gz BWWNZNRVFQXYJG-SFHVURJKSA-N 2 0 327.432 2.119 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F 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EEAERP CC(C)OCCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001266197975 1323759645 /nfs/dbraw/zinc/75/96/45/1323759645.db2.gz UEKFEBSBYJUXMJ-UHFFFAOYSA-N 2 0 327.513 2.065 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001280084191 1324078915 /nfs/dbraw/zinc/07/89/15/1324078915.db2.gz OKCANHVXWAEWDZ-ZBFHGGJFSA-N 2 0 338.521 2.058 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001280198700 1324110586 /nfs/dbraw/zinc/11/05/86/1324110586.db2.gz VVJQHHDEAAQNIP-WMZOPIPTSA-N 2 0 344.503 2.060 10 0 EEAERP COCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001280355200 1324169556 /nfs/dbraw/zinc/16/95/56/1324169556.db2.gz ZAXPZFPTQQHSEN-INIZCTEOSA-N 2 0 347.503 2.332 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCCC(F)(F)F)CCC1 ZINC001280545098 1324288683 /nfs/dbraw/zinc/28/86/83/1324288683.db2.gz JPLBEQFZMLZIBC-UHFFFAOYSA-N 2 0 335.414 2.443 10 0 EEAERP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC001276593660 1324687979 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MVEFEGAYBIMLNO-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001284050875 1326381111 /nfs/dbraw/zinc/38/11/11/1326381111.db2.gz JFUIVBUWTAGJQB-YQVWRLOYSA-N 2 0 337.508 2.009 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)Cc2cncn2C)CC1 ZINC001284976435 1326805341 /nfs/dbraw/zinc/80/53/41/1326805341.db2.gz HUCXUFBJMXDCFF-INIZCTEOSA-N 2 0 338.455 2.472 10 0 EEAERP COCCC[NH+]1CCC(NC(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001292763617 1328501196 /nfs/dbraw/zinc/50/11/96/1328501196.db2.gz IHVZCDFYXQYDEL-UHFFFAOYSA-N 2 0 347.503 2.021 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]Cc2cncs2)C1)CC(C)(C)C ZINC001491834536 1330268590 /nfs/dbraw/zinc/26/85/90/1330268590.db2.gz IRIWKVHJYYZZCB-AWEZNQCLSA-N 2 0 338.521 2.059 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491878118 1330285477 /nfs/dbraw/zinc/28/54/77/1330285477.db2.gz RQVDRXHUYDZVFB-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCOC(C)C ZINC001316737124 1331428149 /nfs/dbraw/zinc/42/81/49/1331428149.db2.gz GSIMDGXCKZERTD-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001316707905 1331769955 /nfs/dbraw/zinc/76/99/55/1331769955.db2.gz DRIBHVVESLMPJD-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001316824294 1331914721 /nfs/dbraw/zinc/91/47/21/1331914721.db2.gz QFRJGYRTGBHUSQ-YIEHMZNDSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001316870177 1331940970 /nfs/dbraw/zinc/94/09/70/1331940970.db2.gz NGVUFPBEFXPEDO-HOTGVXAUSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1ocnc1C ZINC001316903266 1331969553 /nfs/dbraw/zinc/96/95/53/1331969553.db2.gz IDQCCOSIAWAYNC-DLBZAZTESA-N 2 0 348.491 2.328 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001317302304 1332170837 /nfs/dbraw/zinc/17/08/37/1332170837.db2.gz RDXRFYBSRXCQSY-IRXDYDNUSA-N 2 0 325.472 2.357 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317381697 1332207867 /nfs/dbraw/zinc/20/78/67/1332207867.db2.gz BQLDPBVSGFKJKD-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317645188 1332345934 /nfs/dbraw/zinc/34/59/34/1332345934.db2.gz ZUEFSEPCPNNCOJ-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001318260524 1332498747 /nfs/dbraw/zinc/49/87/47/1332498747.db2.gz JEZLJWREHSFEGL-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001318446523 1332539242 /nfs/dbraw/zinc/53/92/42/1332539242.db2.gz RTLAKCJFRCSNIF-IBGZPJMESA-N 2 0 331.504 2.494 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001318794831 1332599215 /nfs/dbraw/zinc/59/92/15/1332599215.db2.gz SVKMURCICILLIH-FUHWJXTLSA-N 2 0 348.491 2.266 10 0 EEAERP COCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001318807160 1332602391 /nfs/dbraw/zinc/60/23/91/1332602391.db2.gz WPKSDUICOJYKKL-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319069850 1332645161 /nfs/dbraw/zinc/64/51/61/1332645161.db2.gz OEYZJEGRNJCWSG-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCc1cccs1 ZINC001319860596 1332786512 /nfs/dbraw/zinc/78/65/12/1332786512.db2.gz GYORHFYVLAYROC-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320417390 1332878493 /nfs/dbraw/zinc/87/84/93/1332878493.db2.gz ZQNSSWPAWKMNIR-BEFAXECRSA-N 2 0 347.478 2.482 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001320421967 1332879597 /nfs/dbraw/zinc/87/95/97/1332879597.db2.gz MWAJMVAFWZJLDP-XOKHGSTOSA-N 2 0 348.491 2.267 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001320862133 1332967178 /nfs/dbraw/zinc/96/71/78/1332967178.db2.gz GFTJHYMZEODWRD-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)C[NH+]1CCCC1 ZINC001320920576 1332979388 /nfs/dbraw/zinc/97/93/88/1332979388.db2.gz HADRGIANCZEXAM-UHFFFAOYSA-N 2 0 337.895 2.416 10 0 EEAERP CCc1ccccc1CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320999261 1332994579 /nfs/dbraw/zinc/99/45/79/1332994579.db2.gz UCGABWMARYYHPR-OVKVCFKUSA-N 2 0 329.488 2.148 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001321337412 1333078304 /nfs/dbraw/zinc/07/83/04/1333078304.db2.gz OXCWJSZTIWDHEW-WBXGCANISA-N 2 0 348.491 2.174 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001322640913 1333299522 /nfs/dbraw/zinc/29/95/22/1333299522.db2.gz LWFLMJVXTYRLEO-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCO1)CC(C)(C)C ZINC001324226067 1333639086 /nfs/dbraw/zinc/63/90/86/1333639086.db2.gz OHJOSURJIYGDDF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001324342731 1333661749 /nfs/dbraw/zinc/66/17/49/1333661749.db2.gz KTAXCPVNELQJLG-DKRLNXSXSA-N 2 0 337.508 2.034 10 0 EEAERP CCCCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001325018026 1333811439 /nfs/dbraw/zinc/81/14/39/1333811439.db2.gz MYXNGPIOTRZZNE-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1 ZINC001326335764 1334070923 /nfs/dbraw/zinc/07/09/23/1334070923.db2.gz WZIJJMBHQGJCME-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cccc(Cl)n1)C(=O)Cn1ccnc1 ZINC001329358763 1334633607 /nfs/dbraw/zinc/63/36/07/1334633607.db2.gz RFSQYKYYADXBHH-UHFFFAOYSA-N 2 0 349.866 2.206 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)C1)[NH+](C)C ZINC001436388590 1342066009 /nfs/dbraw/zinc/06/60/09/1342066009.db2.gz DNSIOQJLTGDGOO-LNLFQRSKSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@]1(C[NH2+]Cc2ccc(F)cc2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500393258 1342185965 /nfs/dbraw/zinc/18/59/65/1342185965.db2.gz MRFVAPHBAPHIMC-LJQANCHMSA-N 2 0 345.462 2.250 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001566628668 1342584952 /nfs/dbraw/zinc/58/49/52/1342584952.db2.gz BZMVCVYTRCOWPM-LJQANCHMSA-N 2 0 347.503 2.021 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CC2CC(F)(F)C2)CC1 ZINC001567584206 1342788219 /nfs/dbraw/zinc/78/82/19/1342788219.db2.gz QAHJDISDGYVQJI-UHFFFAOYSA-N 2 0 331.451 2.200 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567604476 1342791387 /nfs/dbraw/zinc/79/13/87/1342791387.db2.gz GDVFHSOCVDPBPJ-ZDUSSCGKSA-N 2 0 344.286 2.493 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676017883 1357088814 /nfs/dbraw/zinc/08/88/14/1357088814.db2.gz DBINLUSPRVRGAF-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001567624353 1342795730 /nfs/dbraw/zinc/79/57/30/1342795730.db2.gz GAYBDPIFJLLTJV-INIZCTEOSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@]1(C[NH2+]CCCF)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001569672137 1342921192 /nfs/dbraw/zinc/92/11/92/1342921192.db2.gz BAVVBKJRHNLHMY-QGZVFWFLSA-N 2 0 325.472 2.050 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH2+]CCF)Cc1ccccc1 ZINC001569871116 1342963666 /nfs/dbraw/zinc/96/36/66/1342963666.db2.gz WOVGZWQXSIPNMF-IAGOWNOFSA-N 2 0 335.467 2.447 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001570177527 1343026099 /nfs/dbraw/zinc/02/60/99/1343026099.db2.gz NSVLIXKZWCKHML-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001570446003 1343072119 /nfs/dbraw/zinc/07/21/19/1343072119.db2.gz SEFCCDBCMXZOKU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001571464160 1343213800 /nfs/dbraw/zinc/21/38/00/1343213800.db2.gz IFFOGPABFPIQAU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001571527561 1343228742 /nfs/dbraw/zinc/22/87/42/1343228742.db2.gz ZTURXVSOXNGDPM-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001571634372 1343255920 /nfs/dbraw/zinc/25/59/20/1343255920.db2.gz HIDKWPJCYXYQAS-SJORKVTESA-N 2 0 341.540 2.408 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001676820045 1357212122 /nfs/dbraw/zinc/21/21/22/1357212122.db2.gz GKMQZECDKZOFKW-PKOBYXMFSA-N 2 0 348.491 2.328 10 0 EEAERP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]CCCF ZINC001677004674 1357260375 /nfs/dbraw/zinc/26/03/75/1357260375.db2.gz XWRVFQTVHHFBRV-HNNXBMFYSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCCC2CCOCC2)C1)[NH+](C)C ZINC001677427767 1357331097 /nfs/dbraw/zinc/33/10/97/1357331097.db2.gz ZKFFSJBLTQUHJU-ABHNRTSZSA-N 2 0 339.524 2.112 10 0 EEAERP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCO2)ccn1 ZINC001647253054 1353208014 /nfs/dbraw/zinc/20/80/14/1353208014.db2.gz TVQLLOSGTWMYBV-FQBWVUSXSA-N 2 0 331.460 2.048 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001649449752 1353511557 /nfs/dbraw/zinc/51/15/57/1353511557.db2.gz UGPXGWJRUGTUTO-ZHALLVOQSA-N 2 0 347.503 2.056 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccns1)C1CC[NH+](CC2CC2)CC1 ZINC001649451143 1353512178 /nfs/dbraw/zinc/51/21/78/1353512178.db2.gz LFSXWLOFRUMUKH-UPHRSURJSA-N 2 0 348.516 2.027 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001671246562 1353624494 /nfs/dbraw/zinc/62/44/94/1353624494.db2.gz UPIIBBTTXKBIHV-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001649857999 1353628811 /nfs/dbraw/zinc/62/88/11/1353628811.db2.gz PCWFXIQXFLBPTK-RTBURBONSA-N 2 0 345.487 2.295 10 0 EEAERP CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001656353478 1354225172 /nfs/dbraw/zinc/22/51/72/1354225172.db2.gz DGUPCYZPWMSACN-OKZBNKHCSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001660790999 1354538617 /nfs/dbraw/zinc/53/86/17/1354538617.db2.gz DWUNGORUBHUDGR-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCCc2ccsc2)C2CC2)C1 ZINC001661192916 1354603184 /nfs/dbraw/zinc/60/31/84/1354603184.db2.gz NJWQRRDJNCVZCF-IRXDYDNUSA-N 2 0 335.517 2.117 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001661235641 1354615204 /nfs/dbraw/zinc/61/52/04/1354615204.db2.gz LWNNWYHGLRDLEO-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001661976438 1354731167 /nfs/dbraw/zinc/73/11/67/1354731167.db2.gz CLOOSSGXSCTUJI-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001662351481 1354784898 /nfs/dbraw/zinc/78/48/98/1354784898.db2.gz WJSUWJJFSCUAEH-MJGOQNOKSA-N 2 0 347.503 2.423 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1C ZINC001662425246 1354795426 /nfs/dbraw/zinc/79/54/26/1354795426.db2.gz QXZSAFVJARMSRV-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1C ZINC001662425255 1354795437 /nfs/dbraw/zinc/79/54/37/1354795437.db2.gz QXZSAFVJARMSRV-QZTJIDSGSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCCF)[C@@]12CC[NH+](C1)CCC2 ZINC001663120593 1354922412 /nfs/dbraw/zinc/92/24/12/1354922412.db2.gz VVGFJFYZSNJCSW-AEFFLSMTSA-N 2 0 325.472 2.193 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001663120856 1354922574 /nfs/dbraw/zinc/92/25/74/1354922574.db2.gz ZGAFEXFIOZMUCI-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)cc1 ZINC001664044231 1355080847 /nfs/dbraw/zinc/08/08/47/1355080847.db2.gz SSYGNMAUJIGRBJ-UHFFFAOYSA-N 2 0 329.488 2.214 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2nccs2)C1 ZINC001666168462 1355474268 /nfs/dbraw/zinc/47/42/68/1355474268.db2.gz ZXJAYDHWIQMTRF-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)on1 ZINC001667301729 1355703741 /nfs/dbraw/zinc/70/37/41/1355703741.db2.gz JIAHLTZEESRAKF-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001667735605 1355802654 /nfs/dbraw/zinc/80/26/54/1355802654.db2.gz YSWQNRNEXOSAPZ-ZIAGYGMSSA-N 2 0 347.425 2.442 10 0 EEAERP Cc1cc(C)cc(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001668274326 1355913650 /nfs/dbraw/zinc/91/36/50/1355913650.db2.gz PZYLVQVDLWWGOP-QGZVFWFLSA-N 2 0 329.488 2.384 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001668614168 1355972748 /nfs/dbraw/zinc/97/27/48/1355972748.db2.gz MLMPAYUGNPNMEE-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001672246255 1356487518 /nfs/dbraw/zinc/48/75/18/1356487518.db2.gz GWEFHCHWPYXZSS-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001672326830 1356502124 /nfs/dbraw/zinc/50/21/24/1356502124.db2.gz FKDSKNXNNSLSGO-FUHWJXTLSA-N 2 0 349.494 2.394 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001672400762 1356515651 /nfs/dbraw/zinc/51/56/51/1356515651.db2.gz QVRCAHIDSNJCRC-FUHWJXTLSA-N 2 0 335.467 2.305 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672809501 1356588869 /nfs/dbraw/zinc/58/88/69/1356588869.db2.gz CIHGQBKVUQBOAD-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001672839681 1356597342 /nfs/dbraw/zinc/59/73/42/1356597342.db2.gz PABCQZNEHWVNSJ-QFBILLFUSA-N 2 0 345.487 2.118 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001672897699 1356610009 /nfs/dbraw/zinc/61/00/09/1356610009.db2.gz VDFWXIYRAFPXFX-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP COCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001672979452 1356626040 /nfs/dbraw/zinc/62/60/40/1356626040.db2.gz ZKNWTTYLIAVIPY-SAABIXHNSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)COCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001675170019 1356941600 /nfs/dbraw/zinc/94/16/00/1356941600.db2.gz ICAZQWMQEXMNKQ-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001675745563 1357045486 /nfs/dbraw/zinc/04/54/86/1357045486.db2.gz JQZABTDRYXZJJM-QGPMSJSTSA-N 2 0 347.528 2.117 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001698717318 1405021493 /nfs/dbraw/zinc/02/14/93/1405021493.db2.gz LTWBMJFNRVATRA-KZNAEPCWSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH2+]Cc1coc(C2CC2)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114954 1405269151 /nfs/dbraw/zinc/26/91/51/1405269151.db2.gz MQIVONBKCQUSGE-CZUORRHYSA-N 2 0 334.464 2.021 10 0 EEAERP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001699279240 1405311294 /nfs/dbraw/zinc/31/12/94/1405311294.db2.gz WQSIZJPMBRCFME-QGZUEGPWSA-N 2 0 330.476 2.144 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001699548198 1405382740 /nfs/dbraw/zinc/38/27/40/1405382740.db2.gz KOINDIHYIJDMEC-ZDUSSCGKSA-N 2 0 346.928 2.321 10 0 EEAERP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699575309 1405401268 /nfs/dbraw/zinc/40/12/68/1405401268.db2.gz CVAPVFAGVUMSHA-DOTOQJQBSA-N 2 0 325.472 2.095 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001699577492 1405402227 /nfs/dbraw/zinc/40/22/27/1405402227.db2.gz UBLMCSOTJCAUJX-GDBMZVCRSA-N 2 0 327.488 2.483 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925478803 770645105 /nfs/dbraw/zinc/64/51/05/770645105.db2.gz PZXWSOSEHATJND-IBGZPJMESA-N 2 0 347.503 2.018 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC3CCC2(C[NH3+])CC3)cc(Cl)n1 ZINC000846680081 790380547 /nfs/dbraw/zinc/38/05/47/790380547.db2.gz OKHSRMJGJDEWNH-KDJCLPLCSA-N 2 0 336.867 2.163 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000846690972 790411332 /nfs/dbraw/zinc/41/13/32/790411332.db2.gz HLZHJLFIVRPTRR-MRXNPFEDSA-N 2 0 346.862 2.469 10 0 EEAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000907934855 784993215 /nfs/dbraw/zinc/99/32/15/784993215.db2.gz LQPAXCHIDIXQAB-KRWDZBQOSA-N 2 0 346.475 2.113 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817894981 785051879 /nfs/dbraw/zinc/05/18/79/785051879.db2.gz PVWZHTDBHGTQBR-BMGDILEWSA-N 2 0 331.460 2.045 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000819017657 785384634 /nfs/dbraw/zinc/38/46/34/785384634.db2.gz JMDPLJFJWMWITE-LJQANCHMSA-N 2 0 347.434 2.027 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2F)(N2CCCCC2)CC1 ZINC000819112017 785428776 /nfs/dbraw/zinc/42/87/76/785428776.db2.gz YXJOYTOYCVHGBZ-LJQANCHMSA-N 2 0 349.494 2.399 10 0 EEAERP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1Cl ZINC000819172278 785446508 /nfs/dbraw/zinc/44/65/08/785446508.db2.gz CBLNBKOGBAYUIH-KSZLIROESA-N 2 0 338.879 2.341 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(Cc1cccnc1)C1CC1 ZINC000820074029 785798847 /nfs/dbraw/zinc/79/88/47/785798847.db2.gz FTGFKTBNZYXIDG-INIZCTEOSA-N 2 0 347.507 2.028 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCO[C@H]2CCOC2)CC1 ZINC000922938554 788363007 /nfs/dbraw/zinc/36/30/07/788363007.db2.gz SRZLWFYJRACKMG-IBGZPJMESA-N 2 0 347.503 2.114 10 0 EEAERP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711360043 788765600 /nfs/dbraw/zinc/76/56/00/788765600.db2.gz LOLGYWUQVUEXDM-QZTJIDSGSA-N 2 0 329.488 2.260 10 0 EEAERP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711360044 788765972 /nfs/dbraw/zinc/76/59/72/788765972.db2.gz LOLGYWUQVUEXDM-ROUUACIJSA-N 2 0 329.488 2.260 10 0 EEAERP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923309070 789365654 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2.097 10 0 EEAERP CCOc1ccc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)cc1 ZINC000923464110 789603220 /nfs/dbraw/zinc/60/32/20/789603220.db2.gz ZQXGSEMAMATBKL-UHFFFAOYSA-N 2 0 346.500 2.204 10 0 EEAERP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497165 789671077 /nfs/dbraw/zinc/67/10/77/789671077.db2.gz GACUXEAVAGIYAH-WMZOPIPTSA-N 2 0 347.503 2.222 10 0 EEAERP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)ccc12 ZINC000923498025 789673582 /nfs/dbraw/zinc/67/35/82/789673582.db2.gz NGVYLQLOKLABQI-CABCVRRESA-N 2 0 330.428 2.397 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498127 789674940 /nfs/dbraw/zinc/67/49/40/789674940.db2.gz JMOGCFPJFWJCMC-RBSFLKMASA-N 2 0 347.459 2.092 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)CC[C@H]1C[NH3+] ZINC000923499425 789682432 /nfs/dbraw/zinc/68/24/32/789682432.db2.gz KNCGGQMUMQENBU-WBVHZDCISA-N 2 0 328.460 2.416 10 0 EEAERP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923501844 789687774 /nfs/dbraw/zinc/68/77/74/789687774.db2.gz WCJCVRGMILZSJV-CVAIRZPRSA-N 2 0 329.488 2.479 10 0 EEAERP Cc1n[nH]c(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716727980 796448448 /nfs/dbraw/zinc/44/84/48/796448448.db2.gz NTLZPTXUQPXEGB-KSZLIROESA-N 2 0 325.460 2.298 10 0 EEAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001566473499 1125634821 /nfs/dbraw/zinc/63/48/21/1125634821.db2.gz PDPHDOWXLLZGED-AWEZNQCLSA-N 2 0 333.411 2.067 10 0 EEAERP Cc1nc(CN(C)CCCNC(=O)C[N@H+](C)CC(C)(C)C)c(C)o1 ZINC001566491233 1125655107 /nfs/dbraw/zinc/65/51/07/1125655107.db2.gz QXVPEPPBCCVUHH-UHFFFAOYSA-N 2 0 338.496 2.207 10 0 EEAERP CC[N@H+](CCCNC(=O)Cc1[nH]cnc1C)Cc1ccc(F)cc1 ZINC001566574453 1125753496 /nfs/dbraw/zinc/75/34/96/1125753496.db2.gz VQZCRXSWGMMWNV-UHFFFAOYSA-N 2 0 332.423 2.428 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ocnc1C ZINC001566576254 1125758592 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ZBUSTCAFQOTJHM-QFBILLFUSA-N 2 0 329.488 2.055 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1)C1CCC1 ZINC001436898335 1088551619 /nfs/dbraw/zinc/55/16/19/1088551619.db2.gz WWGAEUFVAQEFBO-BXWFABGCSA-N 2 0 327.472 2.395 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1)C12CCC[NH+]1CCC2 ZINC001436955343 1088644227 /nfs/dbraw/zinc/64/42/27/1088644227.db2.gz WXXMMYROMYVURB-UKFGPKQXSA-N 2 0 332.275 2.171 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)sn1 ZINC001437050795 1088938203 /nfs/dbraw/zinc/93/82/03/1088938203.db2.gz QZAGQVNOYZVGAK-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001437059578 1088957728 /nfs/dbraw/zinc/95/77/28/1088957728.db2.gz ANVALBXUNWZSBQ-ZBFHGGJFSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C2)sn1 ZINC001437068029 1088996549 /nfs/dbraw/zinc/99/65/49/1088996549.db2.gz SHDWIRVHUHUTQB-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP 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ZCMUUNTVEJFWDG-LJQANCHMSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001438517502 1091010001 /nfs/dbraw/zinc/01/00/01/1091010001.db2.gz GLDHHNQEHDFKDY-CYBMUJFWSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(Cl)cc1 ZINC001438549254 1091041754 /nfs/dbraw/zinc/04/17/54/1091041754.db2.gz WWQQFWBFPIALRF-AWEZNQCLSA-N 2 0 335.879 2.278 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(-c2ccccc2)on1)N(C)C(=O)CC[NH+](C)C ZINC001438695506 1091199166 /nfs/dbraw/zinc/19/91/66/1091199166.db2.gz STHPUTQGUQZARH-OAHLLOKOSA-N 2 0 344.459 2.230 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438718042 1091240881 /nfs/dbraw/zinc/24/08/81/1091240881.db2.gz WYCPMTWODGNYLJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1Cl ZINC001445500658 1091277933 /nfs/dbraw/zinc/27/79/33/1091277933.db2.gz KIEQPSGHYQMBRS-CYBMUJFWSA-N 2 0 341.883 2.283 10 0 EEAERP 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ZINC001439256227 1091905475 /nfs/dbraw/zinc/90/54/75/1091905475.db2.gz HEFLCVKWRBTPOU-YOEHRIQHSA-N 2 0 336.480 2.094 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439259009 1091910846 /nfs/dbraw/zinc/91/08/46/1091910846.db2.gz WFFVXTATFCFFPR-HNNXBMFYSA-N 2 0 342.487 2.494 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001439333168 1092022283 /nfs/dbraw/zinc/02/22/83/1092022283.db2.gz MSAGCLSJKMFARQ-DLBZAZTESA-N 2 0 332.492 2.201 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001439424149 1092191413 /nfs/dbraw/zinc/19/14/13/1092191413.db2.gz SSDQSBUQKAESTG-PKOBYXMFSA-N 2 0 347.503 2.412 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001439447707 1092212715 /nfs/dbraw/zinc/21/27/15/1092212715.db2.gz RRUBOTPZFUNGEL-ROUUACIJSA-N 2 0 333.451 2.235 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001446200226 1092276936 /nfs/dbraw/zinc/27/69/36/1092276936.db2.gz AKBDKWQHYMAZDC-OAHLLOKOSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ncccc1C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001446346528 1092559593 /nfs/dbraw/zinc/55/95/93/1092559593.db2.gz VHSMGIJREMTQQZ-HXUWFJFHSA-N 2 0 344.503 2.155 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001439666033 1092603870 /nfs/dbraw/zinc/60/38/70/1092603870.db2.gz CTCYHIMNCSQADN-MRXNPFEDSA-N 2 0 327.472 2.390 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001439855427 1092877517 /nfs/dbraw/zinc/87/75/17/1092877517.db2.gz TZFHAKVWSBLBOT-DNVCBOLYSA-N 2 0 333.451 2.248 10 0 EEAERP Cc1ccc(OCC[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001439874900 1092918098 /nfs/dbraw/zinc/91/80/98/1092918098.db2.gz SISLYAJNHFBSTO-HXUWFJFHSA-N 2 0 345.487 2.050 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001439973009 1093089039 /nfs/dbraw/zinc/08/90/39/1093089039.db2.gz HTTBXNDQMZEUIU-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCC(C)C)CCC1(F)F ZINC001439983175 1093103495 /nfs/dbraw/zinc/10/34/95/1093103495.db2.gz VUBHAJLOJWKIAK-OAHLLOKOSA-N 2 0 333.467 2.448 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001440113230 1093174246 /nfs/dbraw/zinc/17/42/46/1093174246.db2.gz DDOAWWLJIVYLGJ-FUHWJXTLSA-N 2 0 332.492 2.057 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC001440197766 1093267175 /nfs/dbraw/zinc/26/71/75/1093267175.db2.gz YBDGHMKSOFRKKX-HUUCEWRRSA-N 2 0 329.435 2.049 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1oc(C)nc1C)CC2 ZINC001440238246 1093323243 /nfs/dbraw/zinc/32/32/43/1093323243.db2.gz IZANSZFBCKTIBL-UHFFFAOYSA-N 2 0 348.491 2.058 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001440313462 1093445055 /nfs/dbraw/zinc/44/50/55/1093445055.db2.gz MHSFQRMYKGAYAA-KFWWJZLASA-N 2 0 329.435 2.002 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001440342844 1093491731 /nfs/dbraw/zinc/49/17/31/1093491731.db2.gz QJTVYWGUSZDTHM-JSOMCWRVSA-N 2 0 325.884 2.240 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440404321 1093593315 /nfs/dbraw/zinc/59/33/15/1093593315.db2.gz YKQDAXNRZUZHDF-FUHWJXTLSA-N 2 0 347.503 2.330 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001440408121 1093601152 /nfs/dbraw/zinc/60/11/52/1093601152.db2.gz DKXPVBXCFAZOCV-QWHCGFSZSA-N 2 0 346.302 2.276 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448659141 1093726986 /nfs/dbraw/zinc/72/69/86/1093726986.db2.gz QSBBFSTYLUWNAU-FUHWJXTLSA-N 2 0 332.492 2.199 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001448673607 1093740595 /nfs/dbraw/zinc/74/05/95/1093740595.db2.gz LSHGLUWNNSDCQG-KDOFPFPSSA-N 2 0 348.491 2.363 10 0 EEAERP CCC1([NH2+]Cc2coc(C)n2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001440540174 1093807940 /nfs/dbraw/zinc/80/79/40/1093807940.db2.gz QYFPFDFBUKHPFN-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)sc1C ZINC001448777516 1093857041 /nfs/dbraw/zinc/85/70/41/1093857041.db2.gz VMXDSFPKLPGWBH-DOMZBBRYSA-N 2 0 338.521 2.038 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440592140 1093857233 /nfs/dbraw/zinc/85/72/33/1093857233.db2.gz QJLAQTKLFASWGQ-LPHOPBHVSA-N 2 0 331.504 2.180 10 0 EEAERP COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001449051980 1094066468 /nfs/dbraw/zinc/06/64/68/1094066468.db2.gz XMWBIDQNPFZXGH-DOTOQJQBSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001440842955 1094100078 /nfs/dbraw/zinc/10/00/78/1094100078.db2.gz PDWUEYFLNSLSPA-UONOGXRCSA-N 2 0 335.517 2.444 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCc1ccccc1F ZINC001440923102 1094176702 /nfs/dbraw/zinc/17/67/02/1094176702.db2.gz IEQZSCSEBFCOLY-YJBOKZPZSA-N 2 0 347.478 2.147 10 0 EEAERP Cc1ccc(CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001440940896 1094193516 /nfs/dbraw/zinc/19/35/16/1094193516.db2.gz YHKRTEZCXYAHLN-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001441015790 1094294541 /nfs/dbraw/zinc/29/45/41/1094294541.db2.gz XRORLNJKVRPMKF-MAUKXSAKSA-N 2 0 346.519 2.402 10 0 EEAERP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC2)on1 ZINC001449353662 1094314814 /nfs/dbraw/zinc/31/48/14/1094314814.db2.gz KNASPJZIUUHOQF-OAHLLOKOSA-N 2 0 336.480 2.040 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1conc1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441111113 1094426188 /nfs/dbraw/zinc/42/61/88/1094426188.db2.gz HUIVPJKFXFUJJF-ZWKOTPCHSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001441468186 1095128095 /nfs/dbraw/zinc/12/80/95/1095128095.db2.gz IQASARWPJYHPHC-QFBILLFUSA-N 2 0 344.503 2.058 10 0 EEAERP O=C(Cc1c[nH]cn1)NC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441602534 1095448538 /nfs/dbraw/zinc/44/85/38/1095448538.db2.gz ZCIHAFUDBAESPE-UONOGXRCSA-N 2 0 340.418 2.216 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CC2CCC(F)(F)CC2)CCN1C(=O)CC[NH+](C)C ZINC001441826320 1095873281 /nfs/dbraw/zinc/87/32/81/1095873281.db2.gz PMVYDAUDVYZJQJ-HIFRSBDPSA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C)on3)[C@H]2C1 ZINC001441869461 1095981802 /nfs/dbraw/zinc/98/18/02/1095981802.db2.gz LAYQLWKBOVUMDY-SZMVWBNQSA-N 2 0 348.491 2.042 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001441933700 1096124686 /nfs/dbraw/zinc/12/46/86/1096124686.db2.gz RBDCQVUOWQHERW-CRAIPNDOSA-N 2 0 347.503 2.223 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001441982048 1096185216 /nfs/dbraw/zinc/18/52/16/1096185216.db2.gz ALLOFAICTYAAES-DYVFJYSZSA-N 2 0 336.480 2.149 10 0 EEAERP Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001442210048 1096498995 /nfs/dbraw/zinc/49/89/95/1096498995.db2.gz QHJVCHCQCFRLHU-AWEZNQCLSA-N 2 0 348.491 2.184 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001442319981 1096638168 /nfs/dbraw/zinc/63/81/68/1096638168.db2.gz LMRHTCDFERDIPL-CVEARBPZSA-N 2 0 345.487 2.336 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001442468099 1096796858 /nfs/dbraw/zinc/79/68/58/1096796858.db2.gz YXLBSDAFFPTUTN-INIZCTEOSA-N 2 0 345.487 2.433 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2cccc(F)c2)C1 ZINC001442580959 1096946342 /nfs/dbraw/zinc/94/63/42/1096946342.db2.gz YMDVGRGPQDCECF-WMZOPIPTSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CCc1cccs1)[NH+]1CCCC1 ZINC001442622355 1096991331 /nfs/dbraw/zinc/99/13/31/1096991331.db2.gz TVPDDUMNEPUDSW-QGZVFWFLSA-N 2 0 337.533 2.459 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1sc(C)nc1C ZINC001444038228 1098557973 /nfs/dbraw/zinc/55/79/73/1098557973.db2.gz ORZZUEVWMDOQEV-CABCVRRESA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ncccc1C ZINC001444047604 1098571588 /nfs/dbraw/zinc/57/15/88/1098571588.db2.gz WQKAQIQJONRLIS-FUHWJXTLSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCCCCF)C1 ZINC001479591469 1098620913 /nfs/dbraw/zinc/62/09/13/1098620913.db2.gz WKENMVKAFHFPPF-IKGGRYGDSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+][C@H](C)c2cnccn2)CC1 ZINC001444150054 1098692095 /nfs/dbraw/zinc/69/20/95/1098692095.db2.gz XALVTYWOBXQUNA-MRXNPFEDSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1ncccc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001479674747 1098725911 /nfs/dbraw/zinc/72/59/11/1098725911.db2.gz PDBCZQOQGPFWLZ-MOPGFXCFSA-N 2 0 344.503 2.011 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@H]1CCc2ccccc2C1 ZINC001479788905 1098992249 /nfs/dbraw/zinc/99/22/49/1098992249.db2.gz HJTIMFHLXFGYOE-FXAWDEMLSA-N 2 0 343.515 2.324 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCc2ccccc21 ZINC001479809263 1099060579 /nfs/dbraw/zinc/06/05/79/1099060579.db2.gz WASBSPMASIXXQI-GOSISDBHSA-N 2 0 327.472 2.208 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001479816293 1099087795 /nfs/dbraw/zinc/08/77/95/1099087795.db2.gz SHQODSZGFAJAIS-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP CCN1CCO[C@@H](C(=O)NCCC[N@H+](CC)Cc2ccc(C)cc2)C1 ZINC001479861578 1099175591 /nfs/dbraw/zinc/17/55/91/1099175591.db2.gz WZMLYNQFGYXMEK-LJQANCHMSA-N 2 0 347.503 2.044 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCOC(C)C)C2)CC[N@@H+]1C ZINC001479903806 1099287044 /nfs/dbraw/zinc/28/70/44/1099287044.db2.gz ICPVUEYQSQXSBR-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](F)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2 ZINC001444565216 1099371601 /nfs/dbraw/zinc/37/16/01/1099371601.db2.gz CUGLQEZPYQPQNQ-HOTGVXAUSA-N 2 0 345.478 2.339 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001444593971 1099418653 /nfs/dbraw/zinc/41/86/53/1099418653.db2.gz FZUKGEHEVCFVLD-QFBILLFUSA-N 2 0 329.488 2.273 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC12CC[NH+](C/C=C\Cl)CC2 ZINC001479981653 1099435988 /nfs/dbraw/zinc/43/59/88/1099435988.db2.gz QUYFEDIWONHNPQ-PYMSSDGJSA-N 2 0 345.890 2.390 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001480021263 1099499771 /nfs/dbraw/zinc/49/97/71/1099499771.db2.gz YGKXBHYEMGLHNT-QZTJIDSGSA-N 2 0 348.466 2.078 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1nccs1)C1CC1 ZINC001480022809 1099504611 /nfs/dbraw/zinc/50/46/11/1099504611.db2.gz AEZMYJTUWCUWNG-LSDHHAIUSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C2CC2)cc1C ZINC001480062429 1099590638 /nfs/dbraw/zinc/59/06/38/1099590638.db2.gz BGPBDWBNECAVHI-LJQANCHMSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444765489 1099659033 /nfs/dbraw/zinc/65/90/33/1099659033.db2.gz YKSFGGSKSBQBNP-APWZRJJASA-N 2 0 346.519 2.352 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C\c3ccccc3)C2)C1 ZINC001480170861 1099748566 /nfs/dbraw/zinc/74/85/66/1099748566.db2.gz GSRNLJLNQZBPKF-HJERPXMYSA-N 2 0 327.472 2.278 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480208196 1099815669 /nfs/dbraw/zinc/81/56/69/1099815669.db2.gz QRAOEOVHXCGADX-JZXOWHBKSA-N 2 0 337.508 2.055 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001480237543 1099867735 /nfs/dbraw/zinc/86/77/35/1099867735.db2.gz CIGPUGZPGMMAEK-XLAORIBOSA-N 2 0 345.487 2.175 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](Cc3ccsc3)C2)C1 ZINC001480267576 1099963237 /nfs/dbraw/zinc/96/32/37/1099963237.db2.gz NWRPODJTZFNCOP-CVEARBPZSA-N 2 0 335.517 2.418 10 0 EEAERP C[C@@H](C[NH2+]CCCCc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229870 1100785961 /nfs/dbraw/zinc/78/59/61/1100785961.db2.gz MCBFDARHKUOINO-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001496262485 1100834527 /nfs/dbraw/zinc/83/45/27/1100834527.db2.gz URLATSULMKQSBG-MJGOQNOKSA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001446468718 1100892555 /nfs/dbraw/zinc/89/25/55/1100892555.db2.gz GXODZOMQDRPGTL-KRWDZBQOSA-N 2 0 331.451 2.139 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001446478643 1100907554 /nfs/dbraw/zinc/90/75/54/1100907554.db2.gz SGPJIHMRDYVFMO-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cscn1 ZINC001496412685 1101004070 /nfs/dbraw/zinc/00/40/70/1101004070.db2.gz CDJMSTUEJJAOFX-INIZCTEOSA-N 2 0 338.521 2.346 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001495362211 1101077926 /nfs/dbraw/zinc/07/79/26/1101077926.db2.gz FIZCGEWIKGZCJY-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1conc1C[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001496512829 1101112147 /nfs/dbraw/zinc/11/21/47/1101112147.db2.gz SEYWGQMLPNXNQH-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)co1 ZINC001495414548 1101134592 /nfs/dbraw/zinc/13/45/92/1101134592.db2.gz BNJHKGBKRCLJKQ-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2nocc2C)CC1 ZINC001495435243 1101152322 /nfs/dbraw/zinc/15/23/22/1101152322.db2.gz SBBDSMVKNPRIKI-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C[C@H]1CCOC1 ZINC001496561372 1101162482 /nfs/dbraw/zinc/16/24/82/1101162482.db2.gz JVPQXTPCDJFLQU-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(F)(F)CC1 ZINC001496643633 1101248924 /nfs/dbraw/zinc/24/89/24/1101248924.db2.gz PAIGHXSGYLZXAA-HOTGVXAUSA-N 2 0 345.478 2.494 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001446724147 1101294687 /nfs/dbraw/zinc/29/46/87/1101294687.db2.gz DUKCRSNSAOAGDQ-KGLIPLIRSA-N 2 0 349.441 2.292 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001495785558 1101594521 /nfs/dbraw/zinc/59/45/21/1101594521.db2.gz LYEFXIVDAIBRHL-INIZCTEOSA-N 2 0 341.499 2.113 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2cscn2)CC1 ZINC001447148699 1102083843 /nfs/dbraw/zinc/08/38/43/1102083843.db2.gz IKGTULVILWSPBB-CVEARBPZSA-N 2 0 348.516 2.050 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001496111838 1102085112 /nfs/dbraw/zinc/08/51/12/1102085112.db2.gz QOPIPZRUTGSNQX-KBPBESRZSA-N 2 0 333.411 2.066 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001497273820 1102235239 /nfs/dbraw/zinc/23/52/39/1102235239.db2.gz AHKKAXSIPQJMLF-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383752 1102413668 /nfs/dbraw/zinc/41/36/68/1102413668.db2.gz MLAQZHIGKRVQAU-SUMDDJOVSA-N 2 0 329.488 2.452 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497384526 1102413840 /nfs/dbraw/zinc/41/38/40/1102413840.db2.gz XNGISSLALQZNID-CZUORRHYSA-N 2 0 339.430 2.243 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001497455188 1102515576 /nfs/dbraw/zinc/51/55/76/1102515576.db2.gz OQRUYADJKWNEJS-LBPRGKRZSA-N 2 0 332.901 2.075 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)C12CC[NH+](CC1)C2 ZINC001497486336 1102564474 /nfs/dbraw/zinc/56/44/74/1102564474.db2.gz LMMKSVHMLJSKEY-UHFFFAOYSA-N 2 0 333.451 2.168 10 0 EEAERP CCC1([NH2+]Cc2cccnc2C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001447415423 1102615095 /nfs/dbraw/zinc/61/50/95/1102615095.db2.gz QSCTUZAIRNUFNP-SFHVURJKSA-N 2 0 344.503 2.345 10 0 EEAERP CCC1([NH2+]Cc2cc(C)on2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001447431979 1102643448 /nfs/dbraw/zinc/64/34/48/1102643448.db2.gz XKEJELLLNIJXST-HNNXBMFYSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001447544160 1102827482 /nfs/dbraw/zinc/82/74/82/1102827482.db2.gz BDDMEAHUWOBGAT-ZBFHGGJFSA-N 2 0 325.472 2.047 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001497661262 1102847507 /nfs/dbraw/zinc/84/75/07/1102847507.db2.gz OFISLQSZFUIYEQ-DUMMIQTOSA-N 2 0 327.472 2.278 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccc2cccnc21)[NH+](C)C ZINC001497682017 1102894089 /nfs/dbraw/zinc/89/40/89/1102894089.db2.gz XWLNYOAWNSWHRB-XFHJGTJQSA-N 2 0 340.471 2.337 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001497816948 1103144069 /nfs/dbraw/zinc/14/40/69/1103144069.db2.gz ILMANRZRPWKTCG-VQIMIIECSA-N 2 0 329.488 2.240 10 0 EEAERP C[C@H](C[NH2+]CCCOc1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497838260 1103171425 /nfs/dbraw/zinc/17/14/25/1103171425.db2.gz YAYKRTXUTZTXEL-SJLPKXTDSA-N 2 0 333.476 2.034 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497927024 1103349634 /nfs/dbraw/zinc/34/96/34/1103349634.db2.gz RNLOXUUASXQCRC-HIFRSBDPSA-N 2 0 338.521 2.309 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001494157771 1103618783 /nfs/dbraw/zinc/61/87/83/1103618783.db2.gz SHYCALQGCIIJQB-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CO[C@H](C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001448073250 1103942201 /nfs/dbraw/zinc/94/22/01/1103942201.db2.gz ZKICRZZIVGKTCJ-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1cc(F)cc(F)c1 ZINC001448097234 1103996204 /nfs/dbraw/zinc/99/62/04/1103996204.db2.gz NXUXJTNACNQVMN-UONOGXRCSA-N 2 0 339.430 2.243 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC001494985978 1104629245 /nfs/dbraw/zinc/62/92/45/1104629245.db2.gz CMJHSIWIOIVGNI-GJZGRUSLSA-N 2 0 331.451 2.391 10 0 EEAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)o2)C12CCC2 ZINC001454168141 1106800991 /nfs/dbraw/zinc/80/09/91/1106800991.db2.gz IFIFEACFMHOTNB-DLBZAZTESA-N 2 0 331.460 2.478 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc2conc2C)C1 ZINC001480786307 1107115729 /nfs/dbraw/zinc/11/57/29/1107115729.db2.gz MPPHBYFFBXDYEQ-HOCLYGCPSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001480804065 1107145750 /nfs/dbraw/zinc/14/57/50/1107145750.db2.gz ZJJGUFDSMLBLSZ-QGZVFWFLSA-N 2 0 329.488 2.384 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480813985 1107166433 /nfs/dbraw/zinc/16/64/33/1107166433.db2.gz QLHWXYVPXMRBAX-GDBMZVCRSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1ncccc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001480833184 1107229046 /nfs/dbraw/zinc/22/90/46/1107229046.db2.gz OTIQOUQIRXKNMA-IBGZPJMESA-N 2 0 344.503 2.347 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1c(C)cccc1C ZINC001493043449 1107376886 /nfs/dbraw/zinc/37/68/86/1107376886.db2.gz PYCGCMIHLFIBKK-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001493127797 1107554557 /nfs/dbraw/zinc/55/45/57/1107554557.db2.gz GPZDKGFFOXIGBP-SFHVURJKSA-N 2 0 344.503 2.121 10 0 EEAERP Cc1nc(C(C)C)oc1CN(C)C[C@@H](C)NC(=O)Cn1ccnc1C ZINC001498457447 1107565234 /nfs/dbraw/zinc/56/52/34/1107565234.db2.gz NOMHQCFQDHNILF-CYBMUJFWSA-N 2 0 347.463 2.248 10 0 EEAERP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001493162807 1107622868 /nfs/dbraw/zinc/62/28/68/1107622868.db2.gz QMHXFWWWFSYRRT-SJLPKXTDSA-N 2 0 345.487 2.433 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1scnc1C ZINC001498656877 1107908604 /nfs/dbraw/zinc/90/86/04/1107908604.db2.gz CPXVICVXCDPWNM-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1ccc(C)c(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001499067452 1108532765 /nfs/dbraw/zinc/53/27/65/1108532765.db2.gz WGEZPCSCTWLMPH-QFBILLFUSA-N 2 0 329.488 2.336 10 0 EEAERP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001457656648 1109717119 /nfs/dbraw/zinc/71/71/19/1109717119.db2.gz JEGBTZJSECYDCZ-MRXNPFEDSA-N 2 0 330.476 2.337 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCNC(=O)C1CC1 ZINC001459901660 1110250016 /nfs/dbraw/zinc/25/00/16/1110250016.db2.gz NUTUHCGVKAXRMA-HZPDHXFCSA-N 2 0 329.488 2.259 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001473557788 1110576698 /nfs/dbraw/zinc/57/66/98/1110576698.db2.gz IAQQVGRFXGEROF-UHFFFAOYSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001479409990 1110693285 /nfs/dbraw/zinc/69/32/85/1110693285.db2.gz YUIGFLIGBIWCHV-KLHDSHLOSA-N 2 0 345.478 2.492 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CC(F)(F)C3)CC2)CC[N@@H+]1C ZINC001499330045 1112236739 /nfs/dbraw/zinc/23/67/39/1112236739.db2.gz ABHNGHMWBMHRRD-JSGCOSHPSA-N 2 0 329.435 2.000 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001499844650 1112509860 /nfs/dbraw/zinc/50/98/60/1112509860.db2.gz PAJKQNJMHZEPFU-KBPBESRZSA-N 2 0 339.430 2.386 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001499897932 1112532792 /nfs/dbraw/zinc/53/27/92/1112532792.db2.gz VEBFWDCIPYHEAT-STQMWFEESA-N 2 0 341.393 2.199 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1cncs1)C1CCCC1 ZINC001500126349 1112629619 /nfs/dbraw/zinc/62/96/19/1112629619.db2.gz MQMVZKFXORYION-MRXNPFEDSA-N 2 0 336.505 2.004 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500502692 1112894181 /nfs/dbraw/zinc/89/41/81/1112894181.db2.gz ZEWWOWALBPRKDU-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)CCC[NH+](C)C)C3)co1 ZINC001501170163 1113226457 /nfs/dbraw/zinc/22/64/57/1113226457.db2.gz NXGFPKRDCLJTQJ-VBUUOAMHSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001501600719 1113396023 /nfs/dbraw/zinc/39/60/23/1113396023.db2.gz OHNRPMYSGNHUMU-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001502014877 1113559199 /nfs/dbraw/zinc/55/91/99/1113559199.db2.gz OZLARWWPUSKRBJ-UHFFFAOYSA-N 2 0 339.524 2.160 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC001502805549 1113805741 /nfs/dbraw/zinc/80/57/41/1113805741.db2.gz KLUIBIKFBJHTPL-UHFFFAOYSA-N 2 0 332.492 2.284 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCOc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505847745 1114230946 /nfs/dbraw/zinc/23/09/46/1114230946.db2.gz BYVUWTLQEZXNFE-KRWDZBQOSA-N 2 0 347.503 2.091 10 0 EEAERP Cc1cncc(C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001505976461 1114314818 /nfs/dbraw/zinc/31/48/18/1114314818.db2.gz MLKBDXCFNYRTPJ-INIZCTEOSA-N 2 0 332.492 2.201 10 0 EEAERP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001507091139 1115103239 /nfs/dbraw/zinc/10/32/39/1115103239.db2.gz HOBDDWNMCAJALB-LSDHHAIUSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001507116943 1115116724 /nfs/dbraw/zinc/11/67/24/1115116724.db2.gz VTNNHNFMQPBJOE-UONOGXRCSA-N 2 0 331.451 2.200 10 0 EEAERP COCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001507345482 1115208449 /nfs/dbraw/zinc/20/84/49/1115208449.db2.gz NUZACRGSTVIUCG-YQVWRLOYSA-N 2 0 337.508 2.009 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001507409822 1115255621 /nfs/dbraw/zinc/25/56/21/1115255621.db2.gz LANHKXAPJZALEW-DLBZAZTESA-N 2 0 333.476 2.021 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)C(C)(C)C1 ZINC001507449977 1115276498 /nfs/dbraw/zinc/27/64/98/1115276498.db2.gz AGKATSRBYRZJQF-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCOCC1CC1)C(C)(C)C ZINC001507999642 1115386729 /nfs/dbraw/zinc/38/67/29/1115386729.db2.gz DTTPXENESPWDLU-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1)OC ZINC001508083185 1115415618 /nfs/dbraw/zinc/41/56/18/1115415618.db2.gz OOSFFYTWGHTAMX-CGTJXYLNSA-N 2 0 341.540 2.214 10 0 EEAERP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001567907531 1124170181 /nfs/dbraw/zinc/17/01/81/1124170181.db2.gz UXNAROMGDLYODB-KBPBESRZSA-N 2 0 335.414 2.346 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]Cc2cccnc2)CC1 ZINC001568392381 1124462609 /nfs/dbraw/zinc/46/26/09/1124462609.db2.gz ODWLLRQIJKQJRG-IBGZPJMESA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568630804 1124646111 /nfs/dbraw/zinc/64/61/11/1124646111.db2.gz KMENWUSGWVNKBD-ZFWWWQNUSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568646541 1124658516 /nfs/dbraw/zinc/65/85/16/1124658516.db2.gz QRVUDZMMVBTAEM-VQIMIIECSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568678495 1124690312 /nfs/dbraw/zinc/69/03/12/1124690312.db2.gz SFVHNVHVBWPFKC-RDTXWAMCSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001568687771 1124699076 /nfs/dbraw/zinc/69/90/76/1124699076.db2.gz KFTITWWHLZZMMY-INIZCTEOSA-N 2 0 332.492 2.106 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001568713534 1124731215 /nfs/dbraw/zinc/73/12/15/1124731215.db2.gz HEIXSSBALXPPNI-GDBMZVCRSA-N 2 0 348.491 2.411 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCCO1)C(=O)C12CCC[NH+]1CCC2 ZINC001568756112 1124771159 /nfs/dbraw/zinc/77/11/59/1124771159.db2.gz DAQYNCYNPMHWDQ-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP COc1cc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001568919854 1124947236 /nfs/dbraw/zinc/94/72/36/1124947236.db2.gz JWBGGDSNSIJRLK-YIEVGGLXSA-N 2 0 345.487 2.107 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118342 1125108898 /nfs/dbraw/zinc/10/88/98/1125108898.db2.gz RIUQTPASEJUPIE-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001569209383 1125165777 /nfs/dbraw/zinc/16/57/77/1125165777.db2.gz CKLVWRRYAQVBQJ-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001569314824 1125225177 /nfs/dbraw/zinc/22/51/77/1125225177.db2.gz NKEQHUSPJJUMEA-VQTJNVASSA-N 2 0 343.515 2.370 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001565876207 1125447175 /nfs/dbraw/zinc/44/71/75/1125447175.db2.gz WHIMKIUWAJMMPP-SAABIXHNSA-N 2 0 339.524 2.016 10 0 EEAERP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000163934272 539537674 /nfs/dbraw/zinc/53/76/74/539537674.db2.gz SVPCHDGHLPBOKU-FQEVSTJZSA-N 2 0 331.504 2.353 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000181306945 539584003 /nfs/dbraw/zinc/58/40/03/539584003.db2.gz UTLWNTZVBNTMOV-WMZOPIPTSA-N 2 0 332.492 2.148 10 0 EEAERP COc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422726047 240195387 /nfs/dbraw/zinc/19/53/87/240195387.db2.gz ZCJHRQHFJXLRGY-OKZBNKHCSA-N 2 0 348.487 2.383 10 0 EEAERP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cnc1N1CCOCC1 ZINC000423049186 240343667 /nfs/dbraw/zinc/34/36/67/240343667.db2.gz JNHQAMJKIKRHAF-KBAYOESNSA-N 2 0 348.466 2.068 10 0 EEAERP Fc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051089 240343871 /nfs/dbraw/zinc/34/38/71/240343871.db2.gz ZVDJPTCWAZYWNR-VBNZEHGJSA-N 2 0 328.378 2.393 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000423175445 240393446 /nfs/dbraw/zinc/39/34/46/240393446.db2.gz AMSITSBINRUJNF-INIZCTEOSA-N 2 0 327.476 2.033 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448252767 242383928 /nfs/dbraw/zinc/38/39/28/242383928.db2.gz RPXSRKLUJMULFF-YESZJQIVSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000246482541 243261933 /nfs/dbraw/zinc/26/19/33/243261933.db2.gz ORONHDRFVOMKNI-OHDICMOHSA-N 2 0 345.487 2.039 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000262636330 245083997 /nfs/dbraw/zinc/08/39/97/245083997.db2.gz HSQQYBIPAGVGJE-JFRXWTBNSA-N 2 0 329.488 2.211 10 0 EEAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268829460 252279187 /nfs/dbraw/zinc/27/91/87/252279187.db2.gz QIXOVZWRJSQUHU-AZUAARDMSA-N 2 0 333.520 2.455 10 0 EEAERP CC[C@H](C)[NH+]1CCN(c2ncc(Br)cc2C[NH2+]C)CC1 ZINC000055073462 132193894 /nfs/dbraw/zinc/19/38/94/132193894.db2.gz PODPFHQMMQIARM-LBPRGKRZSA-N 2 0 341.297 2.484 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000074713059 292176747 /nfs/dbraw/zinc/17/67/47/292176747.db2.gz DEVBGTHVNTVHPK-UHFFFAOYSA-N 2 0 338.540 2.482 10 0 EEAERP O=C(NCc1cnc2n1CCCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000377280291 154123799 /nfs/dbraw/zinc/12/37/99/154123799.db2.gz JZXDMHPNCQSFPU-INIZCTEOSA-N 2 0 345.491 2.379 10 0 EEAERP CC(C)c1nnc2n1CCN(CCCN1CC[NH+](C(C)C)CC1)[C@@H]2C ZINC000192841449 160174975 /nfs/dbraw/zinc/17/49/75/160174975.db2.gz VLELHHMMAAIXDU-QGZVFWFLSA-N 2 0 348.539 2.194 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245652851 160246001 /nfs/dbraw/zinc/24/60/01/160246001.db2.gz CCQNFDPVINEHEC-ZWKOTPCHSA-N 2 0 334.508 2.297 10 0 EEAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3ccccc3Cl)C2)CC1 ZINC000245945543 160258740 /nfs/dbraw/zinc/25/87/40/160258740.db2.gz WLAZBIIIBIXFKG-MAUKXSAKSA-N 2 0 337.895 2.085 10 0 EEAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000247345226 160321168 /nfs/dbraw/zinc/32/11/68/160321168.db2.gz OHBWOEPQRYOUSF-SFHVURJKSA-N 2 0 348.466 2.137 10 0 EEAERP C[C@H](CNC(=O)c1cnn(-c2ccncc2)c1C(F)F)[N@H+](C)C1CC1 ZINC000345829773 161335646 /nfs/dbraw/zinc/33/56/46/161335646.db2.gz MKBYPYOIKKGRQV-LLVKDONJSA-N 2 0 349.385 2.417 10 0 EEAERP C[C@@H]1[C@H](C)N(C(=O)c2cnn(-c3ccncc3)c2C(F)F)CCN1C ZINC000346488999 161376433 /nfs/dbraw/zinc/37/64/33/161376433.db2.gz KCEWYBKCPUGCTF-NEPJUHHUSA-N 2 0 349.385 2.370 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352428335 162131514 /nfs/dbraw/zinc/13/15/14/162131514.db2.gz CYXBWFOPTNBELJ-SLFFLAALSA-N 2 0 341.499 2.451 10 0 EEAERP Cc1ccc(-c2nnc(CN(C)CCC[NH+]3CCN(C)CC3)o2)cc1 ZINC000352773619 162280364 /nfs/dbraw/zinc/28/03/64/162280364.db2.gz SZIYPOCKVSXMOJ-UHFFFAOYSA-N 2 0 343.475 2.114 10 0 EEAERP COc1c[nH+]ccc1N1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000355654727 163260117 /nfs/dbraw/zinc/26/01/17/163260117.db2.gz SULNMLMZQBCSCU-UHFFFAOYSA-N 2 0 340.427 2.371 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434458 164309631 /nfs/dbraw/zinc/30/96/31/164309631.db2.gz XVQNFXQASPTXPF-UONOGXRCSA-N 2 0 325.478 2.051 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000369936774 166361552 /nfs/dbraw/zinc/36/15/52/166361552.db2.gz QRWOWCWXZGEMEZ-KRWDZBQOSA-N 2 0 344.503 2.407 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccn1 ZINC000245863297 276792580 /nfs/dbraw/zinc/79/25/80/276792580.db2.gz IETQOXZNXBYQEB-KBAYOESNSA-N 2 0 333.476 2.315 10 0 EEAERP C(C[NH+]1CCC2(CCCCC2)CC1)N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423113530 276804534 /nfs/dbraw/zinc/80/45/34/276804534.db2.gz YKQGZDICUJFDJU-RTBURBONSA-N 2 0 335.536 2.389 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1=O ZINC000067880394 277184515 /nfs/dbraw/zinc/18/45/15/277184515.db2.gz YIGAORBMVJKRSY-FQEVSTJZSA-N 2 0 325.456 2.456 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CCOC)CC1)c1ccccc1 ZINC000264536014 279153080 /nfs/dbraw/zinc/15/30/80/279153080.db2.gz NQKWYGBDAYSUTB-IBGZPJMESA-N 2 0 347.503 2.250 10 0 EEAERP C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000129689443 280004543 /nfs/dbraw/zinc/00/45/43/280004543.db2.gz OTBSBVCTEIYMEB-SZMVWBNQSA-N 2 0 330.476 2.043 10 0 EEAERP CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349664091 289280095 /nfs/dbraw/zinc/28/00/95/289280095.db2.gz GEPIIPHAYUXRCX-ROUUACIJSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297440730 294244749 /nfs/dbraw/zinc/24/47/49/294244749.db2.gz GGOBTJGKLSGTIF-AWEZNQCLSA-N 2 0 348.406 2.499 10 0 EEAERP CN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416808438 313322026 /nfs/dbraw/zinc/32/20/26/313322026.db2.gz OVRJWSGPNIURJH-UJJTZGENSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417181574 313442681 /nfs/dbraw/zinc/44/26/81/313442681.db2.gz IDLSFHOJQGGTCL-JQHSSLGASA-N 2 0 332.492 2.071 10 0 EEAERP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000417662971 313559704 /nfs/dbraw/zinc/55/97/04/313559704.db2.gz UBGMTZXRVQUATA-HNNXBMFYSA-N 2 0 336.455 2.028 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOCCOc1ccccc1 ZINC000441245982 315176527 /nfs/dbraw/zinc/17/65/27/315176527.db2.gz GOBGBVKKHUYNIS-HOJAQTOUSA-N 2 0 348.487 2.266 10 0 EEAERP O[C@@H](C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000520569084 316867419 /nfs/dbraw/zinc/86/74/19/316867419.db2.gz STLRKPPBOIOFLF-INIZCTEOSA-N 2 0 346.393 2.217 10 0 EEAERP Cn1c(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000530240493 317703260 /nfs/dbraw/zinc/70/32/60/317703260.db2.gz MBWVXDCPSPQDDO-KRWDZBQOSA-N 2 0 342.487 2.206 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000543397437 318157414 /nfs/dbraw/zinc/15/74/14/318157414.db2.gz MWSJIYRBOORABU-UHFFFAOYSA-N 2 0 341.459 2.312 10 0 EEAERP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000545264968 318212079 /nfs/dbraw/zinc/21/20/79/318212079.db2.gz XTGDFHYNSIQHMT-SJLPKXTDSA-N 2 0 327.476 2.341 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000563559519 319023465 /nfs/dbraw/zinc/02/34/65/319023465.db2.gz RUMGQYIZWNPYBC-MAUKXSAKSA-N 2 0 344.503 2.121 10 0 EEAERP [NH3+]CC[C@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000573465106 319937771 /nfs/dbraw/zinc/93/77/71/319937771.db2.gz YIJJGZHHFVWVMM-QGZVFWFLSA-N 2 0 329.488 2.430 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2)ccc1F ZINC000580543799 324083537 /nfs/dbraw/zinc/08/35/37/324083537.db2.gz SAOQQELAZMTLET-QGZVFWFLSA-N 2 0 332.419 2.417 10 0 EEAERP C[C@H]1C[NH+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000358733922 465291000 /nfs/dbraw/zinc/29/10/00/465291000.db2.gz NKPAZGGPNLJWNB-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)nn1C ZINC000337452014 465378672 /nfs/dbraw/zinc/37/86/72/465378672.db2.gz IDMUZZJWIMDLIK-QGZVFWFLSA-N 2 0 333.524 2.329 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000074734241 462628067 /nfs/dbraw/zinc/62/80/67/462628067.db2.gz IPFNXCMVMDPOFR-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC2CC[NH+](C3CC3)CC2)ccc1F ZINC000115695714 462724797 /nfs/dbraw/zinc/72/47/97/462724797.db2.gz OTUANKVDCFUOOV-UHFFFAOYSA-N 2 0 348.466 2.313 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000552238968 468319473 /nfs/dbraw/zinc/31/94/73/468319473.db2.gz XIMAYQWWGXSBIJ-HKBOAZHASA-N 2 0 342.531 2.271 10 0 EEAERP Cc1ccc([C@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000077838781 463059609 /nfs/dbraw/zinc/05/96/09/463059609.db2.gz YJANUFLECVKUEP-QGZVFWFLSA-N 2 0 334.508 2.233 10 0 EEAERP C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000121217676 463099478 /nfs/dbraw/zinc/09/94/78/463099478.db2.gz CFYFPDVZTUTMRY-MRXNPFEDSA-N 2 0 338.540 2.480 10 0 EEAERP CC(C)C[NH2+]CC(=O)Nc1ccccc1NC(=O)C[NH2+]CC(C)C ZINC000095862387 463108548 /nfs/dbraw/zinc/10/85/48/463108548.db2.gz SEYVARBHYFRASX-UHFFFAOYSA-N 2 0 334.464 2.055 10 0 EEAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCc2ccccc21 ZINC000068299113 463118466 /nfs/dbraw/zinc/11/84/66/463118466.db2.gz PUSTUXVCJQXVRX-LJQANCHMSA-N 2 0 327.472 2.349 10 0 EEAERP C[C@H](C(=O)N1CCC(Cc2nccn2C)CC1)[NH+]1CCCCCC1 ZINC000122032977 463232522 /nfs/dbraw/zinc/23/25/22/463232522.db2.gz RKXVCRKKRVEVMH-MRXNPFEDSA-N 2 0 332.492 2.466 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069740498 463315614 /nfs/dbraw/zinc/31/56/14/463315614.db2.gz HVUPOJOCNCOXOH-MSOLQXFVSA-N 2 0 345.487 2.326 10 0 EEAERP Cc1nccn1CCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000161718574 463453019 /nfs/dbraw/zinc/45/30/19/463453019.db2.gz GNCCERSXRXIZFL-LJQANCHMSA-N 2 0 333.524 2.074 10 0 EEAERP Cn1ccnc1CC1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000105876159 463485089 /nfs/dbraw/zinc/48/50/89/463485089.db2.gz CADLWJHYMZGYPQ-KRWDZBQOSA-N 2 0 329.444 2.115 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000073125550 463587093 /nfs/dbraw/zinc/58/70/93/463587093.db2.gz FYFYRGFXJKBIEN-QGZVFWFLSA-N 2 0 344.503 2.455 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073722874 463648270 /nfs/dbraw/zinc/64/82/70/463648270.db2.gz BMJHJFBXDFRLNY-IRXDYDNUSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261890950 463890220 /nfs/dbraw/zinc/89/02/20/463890220.db2.gz QLZGVNPFWUTOEV-INIZCTEOSA-N 2 0 345.487 2.043 10 0 EEAERP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261922823 463901375 /nfs/dbraw/zinc/90/13/75/463901375.db2.gz KQCPTGHWVQFCKZ-HZPDHXFCSA-N 2 0 334.533 2.429 10 0 EEAERP C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000261940745 463905938 /nfs/dbraw/zinc/90/59/38/463905938.db2.gz MRBAEDMFVAHQEU-QFBILLFUSA-N 2 0 328.504 2.112 10 0 EEAERP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cs1 ZINC000262037105 463931694 /nfs/dbraw/zinc/93/16/94/463931694.db2.gz OSDYKFJXHKRCJK-BHYGNILZSA-N 2 0 340.512 2.295 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(C)C)CC2)[C@H](C)C1 ZINC000178690663 463944141 /nfs/dbraw/zinc/94/41/41/463944141.db2.gz IKTXUYWCVRXLJH-SJLPKXTDSA-N 2 0 338.540 2.479 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000262152492 463959230 /nfs/dbraw/zinc/95/92/30/463959230.db2.gz XLUVAIXHIXBQKE-SJORKVTESA-N 2 0 333.451 2.376 10 0 EEAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCC[C@H](C)C3)C2)[nH+]1 ZINC000195516187 464064796 /nfs/dbraw/zinc/06/47/96/464064796.db2.gz QLPCLEYNLUZXPB-RDJZCZTQSA-N 2 0 330.476 2.382 10 0 EEAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C1CC1 ZINC000179192683 464077735 /nfs/dbraw/zinc/07/77/35/464077735.db2.gz VSUSJOKTINCQAI-FHLIZLRMSA-N 2 0 330.476 2.214 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264454726 464332240 /nfs/dbraw/zinc/33/22/40/464332240.db2.gz HLDALSSDKZNYNT-SFHVURJKSA-N 2 0 329.488 2.357 10 0 EEAERP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCCC[NH2+]1 ZINC000180985161 464430830 /nfs/dbraw/zinc/43/08/30/464430830.db2.gz QCHZSDLZSOZCDF-IBGZPJMESA-N 2 0 333.451 2.439 10 0 EEAERP COc1ccc(OCC[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000174879390 464462952 /nfs/dbraw/zinc/46/29/52/464462952.db2.gz LJINQUICBZOPBO-GOSISDBHSA-N 2 0 347.503 2.176 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000246294916 464568564 /nfs/dbraw/zinc/56/85/64/464568564.db2.gz LDJWHTPAGOQRTH-BPQIPLTHSA-N 2 0 344.503 2.084 10 0 EEAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCNC1=O ZINC000359526243 465433054 /nfs/dbraw/zinc/43/30/54/465433054.db2.gz PUEQEQAOXSRDLK-SFHVURJKSA-N 2 0 327.428 2.280 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)(N2CCCCC2)CC1 ZINC000353523840 465951345 /nfs/dbraw/zinc/95/13/45/465951345.db2.gz CENISTFGDAOKMO-VAMGGRTRSA-N 2 0 348.579 2.399 10 0 EEAERP COc1ccc(C[C@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000353671141 466056515 /nfs/dbraw/zinc/05/65/15/466056515.db2.gz MYZGHGRIMUUBOM-KRWDZBQOSA-N 2 0 347.503 2.208 10 0 EEAERP Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(CCN3CCOCC3)CC2)o1 ZINC000372047730 466134562 /nfs/dbraw/zinc/13/45/62/466134562.db2.gz UALIDIIMZSZUES-QGZVFWFLSA-N 2 0 349.519 2.295 10 0 EEAERP CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361851498 466348057 /nfs/dbraw/zinc/34/80/57/466348057.db2.gz WRVWQXGMQPANRF-GOSISDBHSA-N 2 0 334.508 2.272 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361887251 466379819 /nfs/dbraw/zinc/37/98/19/466379819.db2.gz DAUIGFUOVMBQGF-UAFMIMERSA-N 2 0 337.552 2.445 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000367613023 466449234 /nfs/dbraw/zinc/44/92/34/466449234.db2.gz DZHHHAOGRKDIQY-BZSNNMDCSA-N 2 0 336.501 2.194 10 0 EEAERP COc1ccccc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347245814 466506126 /nfs/dbraw/zinc/50/61/26/466506126.db2.gz IOCVYVFFKKAVQS-WBVHZDCISA-N 2 0 335.492 2.438 10 0 EEAERP CC[C@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372876915 466625189 /nfs/dbraw/zinc/62/51/89/466625189.db2.gz JZVWLXNJEJIJMX-IBGZPJMESA-N 2 0 325.541 2.276 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(=O)OC)cc2)[C@@H](C)C1 ZINC000341167913 466629752 /nfs/dbraw/zinc/62/97/52/466629752.db2.gz UTWIJOHJSVEOMT-MAUKXSAKSA-N 2 0 334.460 2.401 10 0 EEAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000423403789 466740743 /nfs/dbraw/zinc/74/07/43/466740743.db2.gz SGEVBICSBDMGJL-HYVNUMGLSA-N 2 0 333.476 2.192 10 0 EEAERP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CC2 ZINC000423495551 466758348 /nfs/dbraw/zinc/75/83/48/466758348.db2.gz URMSTWDGGWGHBV-UONOGXRCSA-N 2 0 339.277 2.275 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417050914 466765339 /nfs/dbraw/zinc/76/53/39/466765339.db2.gz YILDMZHZGZLOJR-RBSFLKMASA-N 2 0 346.466 2.041 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417217503 466805426 /nfs/dbraw/zinc/80/54/26/466805426.db2.gz DJGZZJAYENXMCJ-GDAAHCPNSA-N 2 0 342.487 2.358 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417220302 466806463 /nfs/dbraw/zinc/80/64/63/466806463.db2.gz LGRXBHSPPNOXNR-HHXXYDBFSA-N 2 0 342.487 2.358 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000417551680 466881817 /nfs/dbraw/zinc/88/18/17/466881817.db2.gz OOWPYVRFGQBXFJ-LJQANCHMSA-N 2 0 346.519 2.320 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417929934 466990179 /nfs/dbraw/zinc/99/01/79/466990179.db2.gz TVOBQOYKWMJNFB-OVWQWFNUSA-N 2 0 332.492 2.322 10 0 EEAERP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291377 467023094 /nfs/dbraw/zinc/02/30/94/467023094.db2.gz NTABCXQVKVANJJ-KBPBESRZSA-N 2 0 347.425 2.251 10 0 EEAERP CC[NH2+][C@H](C)CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418047346 467032632 /nfs/dbraw/zinc/03/26/32/467032632.db2.gz SDRIUEWQQASMQD-APWZRJJASA-N 2 0 332.492 2.338 10 0 EEAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418107657 467047591 /nfs/dbraw/zinc/04/75/91/467047591.db2.gz PNDZAPROFBFDAK-QRVBRYPASA-N 2 0 342.487 2.044 10 0 EEAERP CCCN(C(=O)NCCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418311166 467091361 /nfs/dbraw/zinc/09/13/61/467091361.db2.gz LFCNLCLJMOCUTG-SFHVURJKSA-N 2 0 332.492 2.421 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418456336 467113622 /nfs/dbraw/zinc/11/36/22/467113622.db2.gz FRYBHFWUJORDOI-MAUKXSAKSA-N 2 0 330.476 2.476 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000418579547 467131348 /nfs/dbraw/zinc/13/13/48/467131348.db2.gz RMHAEOBLFPLJEO-TVFCKZIOSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418701500 467147827 /nfs/dbraw/zinc/14/78/27/467147827.db2.gz GLRLBAMDKYCACY-ZWOKBUDYSA-N 2 0 344.503 2.420 10 0 EEAERP CN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418764629 467156803 /nfs/dbraw/zinc/15/68/03/467156803.db2.gz KZIIUQPQMCKRCV-KSZLIROESA-N 2 0 330.476 2.030 10 0 EEAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000420314138 467351744 /nfs/dbraw/zinc/35/17/44/467351744.db2.gz YVKMPNBAWAVEHW-ROUUACIJSA-N 2 0 345.487 2.072 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000414303503 467400912 /nfs/dbraw/zinc/40/09/12/467400912.db2.gz LMUUHWBUWVNDFS-AZUAARDMSA-N 3 0 345.531 2.333 10 0 EEAERP COCCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415035126 467471590 /nfs/dbraw/zinc/47/15/90/467471590.db2.gz DIFIDHXHQIJZFM-ZWKOTPCHSA-N 2 0 332.492 2.128 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528716734 467736325 /nfs/dbraw/zinc/73/63/25/467736325.db2.gz WFHIPJOKDFZIRH-CQSZACIVSA-N 2 0 332.448 2.165 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000515997271 468009830 /nfs/dbraw/zinc/00/98/30/468009830.db2.gz IUQVBRAJNGSDDN-UHFFFAOYSA-N 2 0 333.480 2.306 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000578743115 468249553 /nfs/dbraw/zinc/24/95/53/468249553.db2.gz GLVUFAAFFDCJKS-CEXWTWQISA-N 2 0 338.455 2.431 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470134 468567871 /nfs/dbraw/zinc/56/78/71/468567871.db2.gz GHBQQLIDQNTAJF-INIZCTEOSA-N 2 0 327.538 2.195 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)CCC2 ZINC000594494778 468608021 /nfs/dbraw/zinc/60/80/21/468608021.db2.gz FZRFSFYZJHELBU-DNVCBOLYSA-N 2 0 346.471 2.409 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2COc3cccc(C)c3C2)CC[NH2+]CC1 ZINC000600708189 468627567 /nfs/dbraw/zinc/62/75/67/468627567.db2.gz JQMSJDAGALEWAS-HOTGVXAUSA-N 2 0 346.471 2.210 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000557635326 468643183 /nfs/dbraw/zinc/64/31/83/468643183.db2.gz YOWQEGIIJIHFEF-ZHALLVOQSA-N 2 0 329.488 2.498 10 0 EEAERP CC(C)CC[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000570921345 468713308 /nfs/dbraw/zinc/71/33/08/468713308.db2.gz XKNWWARYMSFMIM-SFHVURJKSA-N 2 0 325.541 2.323 10 0 EEAERP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595075254 468753140 /nfs/dbraw/zinc/75/31/40/468753140.db2.gz XPZNJFFQAFKRTB-QAPCUYQASA-N 2 0 348.487 2.463 10 0 EEAERP CN(CCC[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000571506255 468797385 /nfs/dbraw/zinc/79/73/85/468797385.db2.gz RKHOGYHQZNGWNG-AYHJJNSGSA-N 2 0 330.476 2.172 10 0 EEAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@@H]1C ZINC000585130627 468983237 /nfs/dbraw/zinc/98/32/37/468983237.db2.gz WZORXXIZDJKYIL-SCTDSRPQSA-N 2 0 344.503 2.235 10 0 EEAERP O=C(NCC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000562809975 469079758 /nfs/dbraw/zinc/07/97/58/469079758.db2.gz ZUYUTBVYMILNEL-INIZCTEOSA-N 2 0 336.524 2.472 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccc(F)cc1C ZINC000563127645 469178600 /nfs/dbraw/zinc/17/86/00/469178600.db2.gz ZESUGPSGPZTFKY-UWWQBHOKSA-N 2 0 335.467 2.111 10 0 EEAERP CCOC(=O)C[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000599310624 469203985 /nfs/dbraw/zinc/20/39/85/469203985.db2.gz XQCMNRWEGVICMQ-SJLPKXTDSA-N 2 0 340.508 2.277 10 0 EEAERP FCC[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](CCF)C2)CCO1 ZINC000626004192 469465879 /nfs/dbraw/zinc/46/58/79/469465879.db2.gz AZRKYXDOKYERJC-IAGOWNOFSA-N 2 0 334.451 2.278 10 0 EEAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c(Cl)c1 ZINC000629389515 469529784 /nfs/dbraw/zinc/52/97/84/469529784.db2.gz ZKTPFVBWOQLDSJ-CYBMUJFWSA-N 2 0 339.867 2.463 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000629391610 469530007 /nfs/dbraw/zinc/53/00/07/469530007.db2.gz BPACFGUQZISFOP-CYBMUJFWSA-N 2 0 327.856 2.191 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629523156 469571328 /nfs/dbraw/zinc/57/13/28/469571328.db2.gz AIMGVQAKXNBIJD-ZWNOBZJWSA-N 2 0 328.254 2.460 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[NH2+]1 ZINC000626922492 469755562 /nfs/dbraw/zinc/75/55/62/469755562.db2.gz ZKFYMUTYEGQHOE-ILXRZTDVSA-N 2 0 336.505 2.325 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[NH2+]1 ZINC000626922495 469755757 /nfs/dbraw/zinc/75/57/57/469755757.db2.gz ZKFYMUTYEGQHOE-RBSFLKMASA-N 2 0 336.505 2.325 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626931967 469759896 /nfs/dbraw/zinc/75/98/96/469759896.db2.gz ORWGEIITWTWPFR-CRAIPNDOSA-N 2 0 332.492 2.467 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050192 469802493 /nfs/dbraw/zinc/80/24/93/469802493.db2.gz DRSWJONYYGFSEG-WMZOPIPTSA-N 2 0 344.503 2.481 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C[NH2+]1 ZINC000627197534 469841159 /nfs/dbraw/zinc/84/11/59/469841159.db2.gz MSPLZIUSGVJWFR-SQNIBIBYSA-N 2 0 336.524 2.425 10 0 EEAERP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000624230618 469881265 /nfs/dbraw/zinc/88/12/65/469881265.db2.gz BQAFMPBSNJWCQG-QGZVFWFLSA-N 2 0 325.541 2.322 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000625257197 470106346 /nfs/dbraw/zinc/10/63/46/470106346.db2.gz XUKZLXCTAYMSHF-KGLIPLIRSA-N 2 0 337.430 2.449 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CCCc2ncccc21)C(=O)NCC[NH+](C)C ZINC000631611150 470174527 /nfs/dbraw/zinc/17/45/27/470174527.db2.gz IDUDGDFQAXOVIZ-MSOLQXFVSA-N 2 0 332.492 2.141 10 0 EEAERP CNS(=O)(=O)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000631709053 470179104 /nfs/dbraw/zinc/17/91/04/470179104.db2.gz JMBSPLKZOJFILJ-UHFFFAOYSA-N 2 0 347.569 2.195 10 0 EEAERP C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698097 470280934 /nfs/dbraw/zinc/28/09/34/470280934.db2.gz AFSBHGMZZALZLB-VQTJNVASSA-N 2 0 332.488 2.284 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[nH+]1 ZINC000635011393 470400451 /nfs/dbraw/zinc/40/04/51/470400451.db2.gz ZQJBAJIHZQRROP-YESZJQIVSA-N 2 0 330.476 2.498 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641864390 470503295 /nfs/dbraw/zinc/50/32/95/470503295.db2.gz DBKYNSXATNTONH-AATRIKPKSA-N 2 0 330.476 2.055 10 0 EEAERP O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(C2CC2)CC1 ZINC000646775817 470733005 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343.475 2.245 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000657355134 471110843 /nfs/dbraw/zinc/11/08/43/471110843.db2.gz CJCPWTYSGFUSSO-IPMKNSEASA-N 2 0 345.487 2.041 10 0 EEAERP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000657543655 471166257 /nfs/dbraw/zinc/16/62/57/471166257.db2.gz MXVFPFVIYNEFOQ-AZUAARDMSA-N 2 0 348.487 2.302 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657835085 471239294 /nfs/dbraw/zinc/23/92/94/471239294.db2.gz OAPCOWIBMFBBLE-FQEVSTJZSA-N 2 0 343.515 2.496 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000652178235 471251110 /nfs/dbraw/zinc/25/11/10/471251110.db2.gz GTTKXSAFQILVQP-MRXNPFEDSA-N 2 0 332.492 2.470 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000652225091 471259058 /nfs/dbraw/zinc/25/90/58/471259058.db2.gz PQLNTJIAAKGQJP-SFHVURJKSA-N 2 0 332.492 2.232 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242479 471261374 /nfs/dbraw/zinc/26/13/74/471261374.db2.gz WEDCEYVYGZSXIU-UHFFFAOYSA-N 2 0 336.455 2.028 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOCC(F)(F)C(F)F)C1 ZINC000652364019 471279829 /nfs/dbraw/zinc/27/98/29/471279829.db2.gz VKCOHIJMTXPUBX-UPJWGTAASA-N 2 0 342.377 2.264 10 0 EEAERP CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000666283696 471340133 /nfs/dbraw/zinc/34/01/33/471340133.db2.gz YJKHHRPSDZCVDG-INIZCTEOSA-N 2 0 348.495 2.016 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666511123 471428875 /nfs/dbraw/zinc/42/88/75/471428875.db2.gz AZEYZWXMDXDFEG-OKZBNKHCSA-N 2 0 338.540 2.338 10 0 EEAERP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CS1 ZINC000655691287 471443908 /nfs/dbraw/zinc/44/39/08/471443908.db2.gz SIGBHCKLYILYTC-CRAIPNDOSA-N 2 0 347.528 2.448 10 0 EEAERP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000655748638 471467470 /nfs/dbraw/zinc/46/74/70/471467470.db2.gz FFHMGRBAECAXOG-NXHRZFHOSA-N 2 0 349.544 2.149 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035705 471477901 /nfs/dbraw/zinc/47/79/01/471477901.db2.gz MRBCGBZEOSQWGC-QZTJIDSGSA-N 2 0 346.475 2.296 10 0 EEAERP CCc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[NH+](C)C)cc1 ZINC000653106057 471488592 /nfs/dbraw/zinc/48/85/92/471488592.db2.gz REYFMSXRHXDBJC-QYZOEREBSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653116472 471496169 /nfs/dbraw/zinc/49/61/69/471496169.db2.gz IGLDKQYGQYIJEW-MOPGFXCFSA-N 2 0 345.487 2.164 10 0 EEAERP [NH3+]C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(F)(F)F ZINC000655910504 471533540 /nfs/dbraw/zinc/53/35/40/471533540.db2.gz WHBRNEIXASQOAI-KBPBESRZSA-N 2 0 344.381 2.012 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655917462 471538343 /nfs/dbraw/zinc/53/83/43/471538343.db2.gz RTLZXJPEWVFGIA-NWDGAFQWSA-N 2 0 338.418 2.076 10 0 EEAERP CC1CC[NH+](Cc2ccccc2CNC(=O)NC/C=C/C[NH3+])CC1 ZINC000669569487 471561314 /nfs/dbraw/zinc/56/13/14/471561314.db2.gz DOZUGNRLGJCTDJ-SNAWJCMRSA-N 2 0 330.476 2.233 10 0 EEAERP C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659369808 471594720 /nfs/dbraw/zinc/59/47/20/471594720.db2.gz UMZWHKMOQMSYDY-IBGZPJMESA-N 2 0 339.439 2.362 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000659439706 471628383 /nfs/dbraw/zinc/62/83/83/471628383.db2.gz ZZJHPRXLHMUMKC-BHIYHBOVSA-N 2 0 344.503 2.163 10 0 EEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659482213 471649157 /nfs/dbraw/zinc/64/91/57/471649157.db2.gz KVOOMSNUPXTNLF-QPIRBTGLSA-N 2 0 344.503 2.194 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000659482704 471651200 /nfs/dbraw/zinc/65/12/00/471651200.db2.gz PUNGMXQWTXWQQT-CGTJXYLNSA-N 2 0 332.492 2.180 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659559257 471677310 /nfs/dbraw/zinc/67/73/10/471677310.db2.gz AMKTWJZEAWUTFE-INIZCTEOSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659610959 471698122 /nfs/dbraw/zinc/69/81/22/471698122.db2.gz HAULVFKGAICPNU-WMZOPIPTSA-N 2 0 344.503 2.196 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000659606840 471698253 /nfs/dbraw/zinc/69/82/53/471698253.db2.gz VWTGPJUNNUQHAB-VQIMIIECSA-N 2 0 344.503 2.375 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000667778316 471900758 /nfs/dbraw/zinc/90/07/58/471900758.db2.gz ADMVFSJRZFLHMW-UHFFFAOYSA-N 2 0 334.464 2.028 10 0 EEAERP [NH3+][C@@H]1C[C@@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000665241012 471977193 /nfs/dbraw/zinc/97/71/93/471977193.db2.gz XWNCGLCPWHDNES-IOMROCGXSA-N 2 0 337.467 2.488 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000665288905 471991235 /nfs/dbraw/zinc/99/12/35/471991235.db2.gz AMFMKWRARWAXMI-CQSZACIVSA-N 2 0 327.538 2.098 10 0 EEAERP c1cc2c(cc1[C@@H]([NH2+]C[C@@H]1CCC3(C[NH2+]C3)O1)C1CC1)OCCO2 ZINC000662281309 472054425 /nfs/dbraw/zinc/05/44/25/472054425.db2.gz JIPDNAZUYKGUOH-YJBOKZPZSA-N 2 0 330.428 2.020 10 0 EEAERP CCC[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000662281153 472054739 /nfs/dbraw/zinc/05/47/39/472054739.db2.gz UDLIURKZRFZPHP-WOJBJXKFSA-N 2 0 343.515 2.494 10 0 EEAERP [NH3+]CCCOC1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662428671 472106305 /nfs/dbraw/zinc/10/63/05/472106305.db2.gz PQSBDNHUEDNQBF-KRWDZBQOSA-N 2 0 345.487 2.035 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)C[NH2+]C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000662513955 472135595 /nfs/dbraw/zinc/13/55/95/472135595.db2.gz HWEZQWIUPOMEBH-HKUYNNGSSA-N 2 0 331.460 2.087 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)C[C@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000662514218 472135770 /nfs/dbraw/zinc/13/57/70/472135770.db2.gz LQBALMRJOJESSH-WNYOCNMUSA-N 2 0 343.471 2.089 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000668545151 472169201 /nfs/dbraw/zinc/16/92/01/472169201.db2.gz MZEOIVSCRSFBIF-IBGZPJMESA-N 2 0 347.503 2.066 10 0 EEAERP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000662748145 472234523 /nfs/dbraw/zinc/23/45/23/472234523.db2.gz MPUSVDBGWNYJGY-ATZDWAIDSA-N 2 0 347.478 2.227 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662788234 472252332 /nfs/dbraw/zinc/25/23/32/472252332.db2.gz LEGBYIHYUUSNOF-MGPQQGTHSA-N 2 0 334.464 2.346 10 0 EEAERP CC(C)[NH2+]C1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673865674 485561412 /nfs/dbraw/zinc/56/14/12/485561412.db2.gz XYELRABSPKEXLH-UHFFFAOYSA-N 2 0 328.420 2.262 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142289 485571096 /nfs/dbraw/zinc/57/10/96/485571096.db2.gz VRKOGPYXOFYGMJ-OXQOHEQNSA-N 3 0 331.504 2.073 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(CNC3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000658143482 485571320 /nfs/dbraw/zinc/57/13/20/485571320.db2.gz YUOFNVFMDRHQRI-OAQYLSRUSA-N 2 0 343.515 2.217 10 0 EEAERP CN(c1ccccc1C[NH2+][C@@H]1CCCN(C)C1)C1CC[NH+](C)CC1 ZINC000675334160 485958900 /nfs/dbraw/zinc/95/89/00/485958900.db2.gz MUVVYSUQHYKEMP-GOSISDBHSA-N 2 0 330.520 2.401 10 0 EEAERP CN1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000678359576 486623322 /nfs/dbraw/zinc/62/33/22/486623322.db2.gz UNAKAPGUPQBDEU-HNNXBMFYSA-N 2 0 336.911 2.276 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415961969 527997487 /nfs/dbraw/zinc/99/74/87/527997487.db2.gz SHTADZJQFRITQM-UHFFFAOYSA-N 2 0 334.439 2.277 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000415947062 528355213 /nfs/dbraw/zinc/35/52/13/528355213.db2.gz VOVKZZJKQOMOAV-HZPDHXFCSA-N 2 0 348.491 2.417 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C)C1 ZINC000459612045 535118522 /nfs/dbraw/zinc/11/85/22/535118522.db2.gz LWBNMBONSDQSHV-YQVWRLOYSA-N 2 0 339.524 2.018 10 0 EEAERP COc1ccc([C@@H](NCC2([NH+](C)C)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422727357 536890506 /nfs/dbraw/zinc/89/05/06/536890506.db2.gz HHBJVCADLKFURD-RBUKOAKNSA-N 2 0 347.503 2.189 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397961025 576122583 /nfs/dbraw/zinc/12/25/83/576122583.db2.gz FCIARASJPGMKSA-SXLOBPIMSA-N 2 0 331.504 2.207 10 0 EEAERP CC(C)[C@@H]1CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000755989067 578216574 /nfs/dbraw/zinc/21/65/74/578216574.db2.gz MQDOLMSDLPYUAG-QZTJIDSGSA-N 2 0 344.565 2.357 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c2c1OC(F)(F)O2 ZINC000895449642 684604520 /nfs/dbraw/zinc/60/45/20/684604520.db2.gz MILFQASYODLFFM-STQMWFEESA-N 2 0 328.359 2.073 10 0 EEAERP O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000924145302 684688593 /nfs/dbraw/zinc/68/85/93/684688593.db2.gz XMQHUUJDAIEPEO-RBUKOAKNSA-N 2 0 339.483 2.063 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000895797463 684729168 /nfs/dbraw/zinc/72/91/68/684729168.db2.gz FKAJKBKJXWXNRM-INIZCTEOSA-N 2 0 332.423 2.485 10 0 EEAERP Cc1ccc(N)cc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262410568 685823314 /nfs/dbraw/zinc/82/33/14/685823314.db2.gz SMOHLCGVEHHFPC-UHFFFAOYSA-N 2 0 344.503 2.257 10 0 EEAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924627007 692900455 /nfs/dbraw/zinc/90/04/55/692900455.db2.gz CDJNMVCAJJOGAV-PKOBYXMFSA-N 2 0 330.520 2.408 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001485657806 1191892048 /nfs/dbraw/zinc/89/20/48/1191892048.db2.gz NULZSNPGBOQGCS-IPMKNSEASA-N 2 0 344.503 2.139 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001485724267 1191910755 /nfs/dbraw/zinc/91/07/55/1191910755.db2.gz NKXIJIGOYKLAAG-CRAIPNDOSA-N 2 0 348.491 2.456 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813125 1191977289 /nfs/dbraw/zinc/97/72/89/1191977289.db2.gz GDMHJNPRPFPHIC-MOPGFXCFSA-N 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ZINC001267040525 1178136478 /nfs/dbraw/zinc/13/64/78/1178136478.db2.gz FAEZQDMLBOJUHD-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001267063994 1178175523 /nfs/dbraw/zinc/17/55/23/1178175523.db2.gz BKFTYWXIKUJQQL-NXJJAWGPSA-N 2 0 341.499 2.480 10 0 EEAERP CC(C)(C(=O)NCc1ccc(CC[NH2+]CCF)cc1)[NH+]1CCCC1 ZINC001267097835 1178234008 /nfs/dbraw/zinc/23/40/08/1178234008.db2.gz SUYKZOUYXYCRQD-UHFFFAOYSA-N 2 0 335.467 2.279 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001267167990 1178383492 /nfs/dbraw/zinc/38/34/92/1178383492.db2.gz LSGVZXFYXWKISZ-UWWQBHOKSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)N(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccon1 ZINC001267257673 1178627610 /nfs/dbraw/zinc/62/76/10/1178627610.db2.gz PVKIYVGFKFSSIR-KRWDZBQOSA-N 2 0 336.480 2.264 10 0 EEAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000151132940 1179127520 /nfs/dbraw/zinc/12/75/20/1179127520.db2.gz HINHAZDYLHCMGU-IAGOWNOFSA-N 2 0 345.443 2.051 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001480952142 1179131935 /nfs/dbraw/zinc/13/19/35/1179131935.db2.gz XLZFWXSAZWRMEZ-IBGZPJMESA-N 2 0 346.519 2.367 10 0 EEAERP O=C(NCC[C@H]1CC[N@@H+](CCCCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001267531016 1179279057 /nfs/dbraw/zinc/27/90/57/1179279057.db2.gz JWNFOGTZJPHKLL-WMZOPIPTSA-N 2 0 339.499 2.296 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001481043808 1179614326 /nfs/dbraw/zinc/61/43/26/1179614326.db2.gz FVWZIPFKVJFFGA-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481043807 1179614357 /nfs/dbraw/zinc/61/43/57/1179614357.db2.gz FVWZIPFKVJFFGA-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP COCCCCC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267688537 1180161057 /nfs/dbraw/zinc/16/10/57/1180161057.db2.gz NMTXTAOJYUWQKY-UHFFFAOYSA-N 2 0 344.459 2.121 10 0 EEAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001481245216 1180434207 /nfs/dbraw/zinc/43/42/07/1180434207.db2.gz FWUZCHMXXYOBHU-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001267776821 1180507205 /nfs/dbraw/zinc/50/72/05/1180507205.db2.gz GGRHFVWKUURGDX-KGLIPLIRSA-N 2 0 335.414 2.203 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001481294619 1180935932 /nfs/dbraw/zinc/93/59/32/1180935932.db2.gz CJOPRYWQVTWZHR-UHFFFAOYSA-N 2 0 343.515 2.455 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001481344597 1181077456 /nfs/dbraw/zinc/07/74/56/1181077456.db2.gz ZLVBRANFDKPHRG-INIZCTEOSA-N 2 0 332.492 2.139 10 0 EEAERP CCc1nc(C)c(CN2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001481534945 1181667428 /nfs/dbraw/zinc/66/74/28/1181667428.db2.gz QBUFKTKMFGOXNZ-HNNXBMFYSA-N 2 0 348.491 2.110 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCC1 ZINC001691500455 1182066660 /nfs/dbraw/zinc/06/66/60/1182066660.db2.gz PCDRSAGBVZAYJC-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ncccc2C)C1 ZINC001268394427 1182459748 /nfs/dbraw/zinc/45/97/48/1182459748.db2.gz VTFJDOMHAHUNTM-ZWKOTPCHSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268415744 1182570021 /nfs/dbraw/zinc/57/00/21/1182570021.db2.gz RTFPXPNQVUBKOA-AWEZNQCLSA-N 2 0 348.491 2.052 10 0 EEAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC001481768421 1182652670 /nfs/dbraw/zinc/65/26/70/1182652670.db2.gz NSRVZRJVRFXXPQ-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001481777131 1182675874 /nfs/dbraw/zinc/67/58/74/1182675874.db2.gz DRFRIFXGZKAFKV-IBGZPJMESA-N 2 0 346.519 2.463 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001481869233 1182843616 /nfs/dbraw/zinc/84/36/16/1182843616.db2.gz JOCAKQHQCLHZHX-ROUUACIJSA-N 2 0 335.467 2.482 10 0 EEAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479535 1182922464 /nfs/dbraw/zinc/92/24/64/1182922464.db2.gz LIQLDRXIQBFLRM-HKMNZKMDSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1ncoc1C[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001481908289 1182927177 /nfs/dbraw/zinc/92/71/77/1182927177.db2.gz MZUWXTZXMUSOML-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001268498381 1183032898 /nfs/dbraw/zinc/03/28/98/1183032898.db2.gz OBOWURUDDSRAQC-HNNXBMFYSA-N 2 0 331.451 2.346 10 0 EEAERP Cc1nocc1C[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001482035647 1183189758 /nfs/dbraw/zinc/18/97/58/1183189758.db2.gz IMTJUQGDRZXMMH-UHFFFAOYSA-N 2 0 344.459 2.229 10 0 EEAERP CCc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001482101654 1183334729 /nfs/dbraw/zinc/33/47/29/1183334729.db2.gz ONOWWZGFRFZFOF-JXFKEZNVSA-N 2 0 343.515 2.433 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cncs1)C1CC[NH+](CC2CC2)CC1 ZINC001268613662 1183527814 /nfs/dbraw/zinc/52/78/14/1183527814.db2.gz HNQKBAKUJYIZIQ-UPHRSURJSA-N 2 0 348.516 2.027 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268753987 1183670321 /nfs/dbraw/zinc/67/03/21/1183670321.db2.gz YODBNRGHBWEXLX-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001268763976 1183679078 /nfs/dbraw/zinc/67/90/78/1183679078.db2.gz GCZSVQJWCMJDHR-JKSUJKDBSA-N 2 0 325.472 2.097 10 0 EEAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001269766225 1184603408 /nfs/dbraw/zinc/60/34/08/1184603408.db2.gz UAYUSTIJOFWFDW-CRAIPNDOSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1 ZINC001270309049 1185005216 /nfs/dbraw/zinc/00/52/16/1185005216.db2.gz TZIYHKPXRVBTSL-GOSISDBHSA-N 2 0 345.487 2.050 10 0 EEAERP COCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001279135947 1185376495 /nfs/dbraw/zinc/37/64/95/1185376495.db2.gz CTDAHIYWRQWRFW-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001482429545 1185688532 /nfs/dbraw/zinc/68/85/32/1185688532.db2.gz QYVDNIMOYPBCLG-CRAIPNDOSA-N 2 0 335.467 2.434 10 0 EEAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCCCF ZINC001482435910 1185710928 /nfs/dbraw/zinc/71/09/28/1185710928.db2.gz SLJXBJYDAVEGBP-HZPDHXFCSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccn2)CC[N@@H+]1C ZINC001482449914 1185825795 /nfs/dbraw/zinc/82/57/95/1185825795.db2.gz REYLSTJJKJPZAX-BHIYHBOVSA-N 2 0 344.503 2.283 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271674354 1186366749 /nfs/dbraw/zinc/36/67/49/1186366749.db2.gz XJQOGNVLLDFAGG-DLBZAZTESA-N 2 0 341.540 2.073 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001482553039 1186697332 /nfs/dbraw/zinc/69/73/32/1186697332.db2.gz JROFYTIRVBKDPJ-OAHLLOKOSA-N 2 0 340.537 2.351 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554565 1186716867 /nfs/dbraw/zinc/71/68/67/1186716867.db2.gz VLWFEMFYZAZMMH-VQIMIIECSA-N 2 0 349.494 2.440 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)s1 ZINC001482569968 1186904711 /nfs/dbraw/zinc/90/47/11/1186904711.db2.gz ACQAAIMPPFGSOW-HNNXBMFYSA-N 2 0 326.510 2.022 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001482586013 1186998639 /nfs/dbraw/zinc/99/86/39/1186998639.db2.gz DKZAZXPVYMXWSA-CABCVRRESA-N 2 0 331.451 2.296 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001272045688 1187255593 /nfs/dbraw/zinc/25/55/93/1187255593.db2.gz WNBWCHYLQMPZLO-DLBZAZTESA-N 2 0 325.472 2.287 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671678169 1187435059 /nfs/dbraw/zinc/43/50/59/1187435059.db2.gz JBWDXGBNGQAWLS-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)CC[NH+]1CCCCC1 ZINC001482650358 1187481499 /nfs/dbraw/zinc/48/14/99/1187481499.db2.gz SHABASQVYXVUHH-SFHVURJKSA-N 2 0 339.524 2.212 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncccn1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482847794 1187766714 /nfs/dbraw/zinc/76/67/14/1187766714.db2.gz IFQUWOQNVMHCIZ-HNNXBMFYSA-N 2 0 347.507 2.114 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC001482875628 1187795720 /nfs/dbraw/zinc/79/57/20/1187795720.db2.gz WTVOJFPSUMGAOZ-KBPBESRZSA-N 2 0 338.521 2.032 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)c(C)o1 ZINC001482901791 1187813863 /nfs/dbraw/zinc/81/38/63/1187813863.db2.gz NDXZJLXDERLFEI-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001483008717 1187991551 /nfs/dbraw/zinc/99/15/51/1187991551.db2.gz LKVWTWADUVWANJ-DRJMZUFCSA-N 2 0 349.906 2.485 10 0 EEAERP COCc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001483046305 1188257440 /nfs/dbraw/zinc/25/74/40/1188257440.db2.gz DMPMIALFZARBSO-HMECNJMJSA-N 2 0 345.487 2.079 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866396 1193583743 /nfs/dbraw/zinc/58/37/43/1193583743.db2.gz WOWHURLUIDNSIG-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001409343633 1189550689 /nfs/dbraw/zinc/55/06/89/1189550689.db2.gz BXABZTSWRASOTR-STQMWFEESA-N 2 0 339.430 2.432 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1C ZINC001485878503 1193624271 /nfs/dbraw/zinc/62/42/71/1193624271.db2.gz UOBHECZDIZZPIP-LZLYRXPVSA-N 2 0 347.503 2.280 10 0 EEAERP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409367402 1189587644 /nfs/dbraw/zinc/58/76/44/1189587644.db2.gz BKRMDGXWJMRXDE-STQMWFEESA-N 2 0 341.883 2.283 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001409386294 1189607581 /nfs/dbraw/zinc/60/75/81/1189607581.db2.gz QCJYXGLJFZCYSC-HZPDHXFCSA-N 2 0 349.523 2.179 10 0 EEAERP CC(C)c1ocnc1CN[C@H](C)[C@@H](C)NC(=O)CCn1ccnc1 ZINC001409388643 1189610223 /nfs/dbraw/zinc/61/02/23/1189610223.db2.gz SWPHZWMUUZUURF-ZIAGYGMSSA-N 2 0 333.436 2.068 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001485885966 1193629756 /nfs/dbraw/zinc/62/97/56/1193629756.db2.gz QJWWNBMEEPPGPO-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCc1ccc(F)c(F)c1 ZINC001409529065 1189987897 /nfs/dbraw/zinc/98/78/97/1189987897.db2.gz VZJIHGPPESWTJN-GUYCJALGSA-N 2 0 339.430 2.038 10 0 EEAERP C[C@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCc1cncn1C ZINC001483415186 1190462811 /nfs/dbraw/zinc/46/28/11/1190462811.db2.gz MTNRZIUDAORMKO-DNVCBOLYSA-N 2 0 340.471 2.477 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)s1 ZINC001483444833 1190482735 /nfs/dbraw/zinc/48/27/35/1190482735.db2.gz XJIHMCNUOUTWTB-ZBFHGGJFSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001483466217 1190489933 /nfs/dbraw/zinc/48/99/33/1190489933.db2.gz BPHHNECNYKPTTO-LJQANCHMSA-N 2 0 329.488 2.275 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001483563840 1190553668 /nfs/dbraw/zinc/55/36/68/1190553668.db2.gz LQIJRIQXZGKCPY-ZMYBRWDISA-N 2 0 347.478 2.459 10 0 EEAERP O=C(N[C@@H](C[NH2+]CC[C@@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001483571202 1190561039 /nfs/dbraw/zinc/56/10/39/1190561039.db2.gz DYSUJKQCOSTIKX-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001483620809 1190602845 /nfs/dbraw/zinc/60/28/45/1190602845.db2.gz MSMWLZVSQKXAFQ-WMZOPIPTSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001272556002 1190877231 /nfs/dbraw/zinc/87/72/31/1190877231.db2.gz OKCANHVXWAEWDZ-GOEBONIOSA-N 2 0 338.521 2.058 10 0 EEAERP Cc1ccncc1C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001483744323 1190896554 /nfs/dbraw/zinc/89/65/54/1190896554.db2.gz UQDWKYYDKRLUSM-ROUUACIJSA-N 2 0 342.487 2.145 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001483845679 1191080681 /nfs/dbraw/zinc/08/06/81/1191080681.db2.gz APDVKUVCPHRWIJ-GOSISDBHSA-N 2 0 325.472 2.146 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F)C1CCC1 ZINC001483934326 1191123217 /nfs/dbraw/zinc/12/32/17/1191123217.db2.gz OPBORUNDSNEXAS-GOSISDBHSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001483941316 1191125412 /nfs/dbraw/zinc/12/54/12/1191125412.db2.gz SULNZBREWLDVRX-PKOBYXMFSA-N 2 0 345.487 2.049 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@H]2C[NH2+]CCCF)C1 ZINC001483944756 1191126410 /nfs/dbraw/zinc/12/64/10/1191126410.db2.gz FILJAJPLIGOXAB-YOEHRIQHSA-N 2 0 331.451 2.139 10 0 EEAERP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001484099321 1191210133 /nfs/dbraw/zinc/21/01/33/1191210133.db2.gz GNPCQYMCTFJGPB-APWZRJJASA-N 2 0 330.476 2.074 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551700 1191410600 /nfs/dbraw/zinc/41/06/00/1191410600.db2.gz OFPMLQMAOWQGCS-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484571957 1191424830 /nfs/dbraw/zinc/42/48/30/1191424830.db2.gz ORGLCFVYRHJNBE-WKILWMFISA-N 2 0 348.491 2.089 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cncc(F)c3)CCC2)CC[N@@H+]1C ZINC001484634671 1191446245 /nfs/dbraw/zinc/44/62/45/1191446245.db2.gz QUGAMIZKDNXMML-DLBZAZTESA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484640630 1191450067 /nfs/dbraw/zinc/45/00/67/1191450067.db2.gz DVJLEKQMZKHAFI-CVEARBPZSA-N 2 0 327.488 2.483 10 0 EEAERP CCc1onc(C)c1C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001484637856 1191454065 /nfs/dbraw/zinc/45/40/65/1191454065.db2.gz ULPJSBANJIINFX-UHFFFAOYSA-N 2 0 348.491 2.158 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001484753048 1191508728 /nfs/dbraw/zinc/50/87/28/1191508728.db2.gz NGDXRYFIXADHHP-UHFFFAOYSA-N 2 0 332.492 2.236 10 0 EEAERP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484811899 1191533161 /nfs/dbraw/zinc/53/31/61/1191533161.db2.gz COSZQKHKXJUIAW-IRXDYDNUSA-N 2 0 339.524 2.255 10 0 EEAERP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484816442 1191538087 /nfs/dbraw/zinc/53/80/87/1191538087.db2.gz IVHDMQRRAOLGFG-RUDMXATFSA-N 2 0 327.900 2.442 10 0 EEAERP CCC1([NH2+]CC[C@@H]2CCCO2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484819054 1191539188 /nfs/dbraw/zinc/53/91/88/1191539188.db2.gz GDMZKLYBGNXUNO-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CCC1([NH2+]CCCOC(C)C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484818890 1191539218 /nfs/dbraw/zinc/53/92/18/1191539218.db2.gz CFVUWZIDLOIVCL-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001484868718 1191555344 /nfs/dbraw/zinc/55/53/44/1191555344.db2.gz WMJDRLGELSBZEQ-KRWDZBQOSA-N 2 0 347.503 2.263 10 0 EEAERP CC[C@H](C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001484867744 1191560964 /nfs/dbraw/zinc/56/09/64/1191560964.db2.gz OYJRPFXTSASXIN-ULQDDVLXSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001484892096 1191566248 /nfs/dbraw/zinc/56/62/48/1191566248.db2.gz NSKFBRRVBOQRGF-YJBOKZPZSA-N 2 0 341.459 2.364 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001485039105 1191627704 /nfs/dbraw/zinc/62/77/04/1191627704.db2.gz BKVNTTZXPWRUNW-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1F ZINC001485070193 1191637290 /nfs/dbraw/zinc/63/72/90/1191637290.db2.gz WPXORLGPYPUYIV-KRWDZBQOSA-N 2 0 335.467 2.243 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001485225252 1191697163 /nfs/dbraw/zinc/69/71/63/1191697163.db2.gz HZYWXNNTEPDCOB-QWHCGFSZSA-N 2 0 325.403 2.043 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001485261682 1191709555 /nfs/dbraw/zinc/70/95/55/1191709555.db2.gz FRKLBANJPPUTOK-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cncc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001485312361 1191729637 /nfs/dbraw/zinc/72/96/37/1191729637.db2.gz GZNYUOBBUXLKGW-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCCC1CCOCC1 ZINC001485319171 1191733104 /nfs/dbraw/zinc/73/31/04/1191733104.db2.gz LGZKVNHFSSGOOA-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C/C=C\c1ccccc1 ZINC001485348858 1191749801 /nfs/dbraw/zinc/74/98/01/1191749801.db2.gz BXXUFEKRYQDXAO-JWJFLKPDSA-N 2 0 329.488 2.478 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1ccccn1)CC2 ZINC001486153097 1193703183 /nfs/dbraw/zinc/70/31/83/1193703183.db2.gz BIXNIBLIRJAPHM-PKOBYXMFSA-N 2 0 330.476 2.035 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001486167123 1193709625 /nfs/dbraw/zinc/70/96/25/1193709625.db2.gz PPMYMNDYEHTBMH-TWDVFJJTSA-N 2 0 327.900 2.297 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001486167124 1193709655 /nfs/dbraw/zinc/70/96/55/1193709655.db2.gz PPMYMNDYEHTBMH-UTOJKVIPSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486179522 1193716903 /nfs/dbraw/zinc/71/69/03/1193716903.db2.gz IVHAMOLRROSBQC-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC001486246941 1193773435 /nfs/dbraw/zinc/77/34/35/1193773435.db2.gz VLNZFJFQAJOLQJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001486404393 1193928793 /nfs/dbraw/zinc/92/87/93/1193928793.db2.gz IDYDHGOAZZTCNT-INIZCTEOSA-N 2 0 329.448 2.411 10 0 EEAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001486446259 1193961290 /nfs/dbraw/zinc/96/12/90/1193961290.db2.gz FENUBPXMAFCGMU-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001273203176 1197508211 /nfs/dbraw/zinc/50/82/11/1197508211.db2.gz HQFJWXCKHHBLES-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871359238 1197699145 /nfs/dbraw/zinc/69/91/45/1197699145.db2.gz XTYZSCXKKDJRNI-UHFFFAOYSA-N 2 0 329.554 2.441 10 0 EEAERP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000872151434 1198059144 /nfs/dbraw/zinc/05/91/44/1198059144.db2.gz WGQRZJIBIYEFKB-KBPBESRZSA-N 2 0 341.377 2.035 10 0 EEAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000872155772 1198063279 /nfs/dbraw/zinc/06/32/79/1198063279.db2.gz WLEWYLYGRZHJOL-UHFFFAOYSA-N 2 0 347.507 2.461 10 0 EEAERP Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000872181508 1198076101 /nfs/dbraw/zinc/07/61/01/1198076101.db2.gz LUEOUNIAGVOQBD-CQSZACIVSA-N 2 0 349.398 2.481 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)CC(C)(C)O ZINC000872203460 1198084814 /nfs/dbraw/zinc/08/48/14/1198084814.db2.gz YLPBBICRGLRCDW-JFIYKMOQSA-N 2 0 334.504 2.255 10 0 EEAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872307099 1198139117 /nfs/dbraw/zinc/13/91/17/1198139117.db2.gz JAASLXSFMKOUBW-HDAAZOAOSA-N 2 0 341.499 2.483 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)N1CC[NH+](C)CC1 ZINC000865450058 1198224986 /nfs/dbraw/zinc/22/49/86/1198224986.db2.gz KMUVTCMSWMSLLE-GFCCVEGCSA-N 2 0 349.372 2.450 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000865801656 1198381221 /nfs/dbraw/zinc/38/12/21/1198381221.db2.gz BPYSIHLRYNKXBR-QHAWAJNXSA-N 2 0 343.515 2.412 10 0 EEAERP Cc1sc2ncnc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2c1C ZINC000866014201 1198454987 /nfs/dbraw/zinc/45/49/87/1198454987.db2.gz XZWGYSAKRHHNIP-HUUCEWRRSA-N 2 0 347.532 2.484 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cnc(C)s2)C[C@H]1C ZINC001410880559 1198528935 /nfs/dbraw/zinc/52/89/35/1198528935.db2.gz MNCDBUCCURYGGP-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC001410998175 1198674697 /nfs/dbraw/zinc/67/46/97/1198674697.db2.gz APOAUPUGHQVKIE-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC2(C)C)cn1 ZINC001411026922 1198705653 /nfs/dbraw/zinc/70/56/53/1198705653.db2.gz UQXVSDOUKMYOOA-NVXWUHKLSA-N 2 0 347.507 2.013 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C)c1 ZINC001411227246 1198937458 /nfs/dbraw/zinc/93/74/58/1198937458.db2.gz VSVOBCKTMCEGLH-AEFFLSMTSA-N 2 0 347.503 2.267 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000811459792 1200070114 /nfs/dbraw/zinc/07/01/14/1200070114.db2.gz OHPMYQUDVYGPOY-CRAIPNDOSA-N 2 0 325.472 2.332 10 0 EEAERP C(C(C[N@@H+]1CCC2(COC2)C1)C1CCCC1)[NH+]1CCC2(COC2)C1 ZINC000878991238 1200790535 /nfs/dbraw/zinc/79/05/35/1200790535.db2.gz HAUXLUBZQMAIPA-UHFFFAOYSA-N 2 0 334.504 2.237 10 0 EEAERP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708309 1201585960 /nfs/dbraw/zinc/58/59/60/1201585960.db2.gz MMJLDSDPQMGSHF-KURKYZTESA-N 2 0 343.471 2.351 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000866712302 1201586910 /nfs/dbraw/zinc/58/69/10/1201586910.db2.gz SNCBKXWNINCXSC-BEMMVCDISA-N 2 0 347.846 2.194 10 0 EEAERP C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCSC1 ZINC000868183999 1201759446 /nfs/dbraw/zinc/75/94/46/1201759446.db2.gz GTNGORPAVGGUPI-ZMSDIMECSA-N 2 0 334.489 2.060 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC[C@@H](C4CC4)O3)CC2)CC1 ZINC000886252260 1202484682 /nfs/dbraw/zinc/48/46/82/1202484682.db2.gz YPBOHOQKLUMFSM-PMACEKPBSA-N 2 0 335.536 2.436 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCc1cccs1)C12CCC[NH+]1CCC2 ZINC001274164000 1204423715 /nfs/dbraw/zinc/42/37/15/1204423715.db2.gz RHFURYJEROBUHC-OWOJBTEDSA-N 2 0 333.501 2.181 10 0 EEAERP CC(C)c1cnc(CNC/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001274251828 1204976970 /nfs/dbraw/zinc/97/69/70/1204976970.db2.gz AGSMUGRNYJABCR-WAYWQWQTSA-N 2 0 348.491 2.434 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001274251471 1204977072 /nfs/dbraw/zinc/97/70/72/1204977072.db2.gz OZHGAFXKVABRKS-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274480907 1205053030 /nfs/dbraw/zinc/05/30/30/1205053030.db2.gz CFRKLAGAIFZRFG-PLNGDYQASA-N 2 0 344.503 2.272 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001274578677 1205086065 /nfs/dbraw/zinc/08/60/65/1205086065.db2.gz MBJVQZXSXNJBRM-HWUNFHLVSA-N 2 0 327.472 2.278 10 0 EEAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001274843438 1205184490 /nfs/dbraw/zinc/18/44/90/1205184490.db2.gz PLEHYQNHFHKVKG-FOSCPCJNSA-N 2 0 327.432 2.332 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001275157333 1205269497 /nfs/dbraw/zinc/26/94/97/1205269497.db2.gz QDNINRGRXRZJHC-QFBILLFUSA-N 2 0 329.488 2.055 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001275233107 1205286814 /nfs/dbraw/zinc/28/68/14/1205286814.db2.gz ODAUWKRFDHQJJF-GHBBCFCZSA-N 2 0 343.515 2.444 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480524 1205378969 /nfs/dbraw/zinc/37/89/69/1205378969.db2.gz IKIUJVGOVDUVLJ-IAGOWNOFSA-N 2 0 347.503 2.198 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCOc1ccccc1 ZINC001275482995 1205380056 /nfs/dbraw/zinc/38/00/56/1205380056.db2.gz XXGOKNQTBUMNHL-DLBZAZTESA-N 2 0 347.503 2.280 10 0 EEAERP C[C@@H]([NH2+]CCCc1ccccc1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542699 1205402927 /nfs/dbraw/zinc/40/29/27/1205402927.db2.gz VUQAELWADBCJMC-SJORKVTESA-N 2 0 329.488 2.198 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1ccnc(Cl)c1 ZINC001275970721 1205610462 /nfs/dbraw/zinc/61/04/62/1205610462.db2.gz QQVFOBCVGSAPLX-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1c(C(=O)N(C)CC[C@@H]([NH2+]CCCO)C(C)C)ccc2c[nH+]cn21 ZINC001276130631 1205791800 /nfs/dbraw/zinc/79/18/00/1205791800.db2.gz YPZGVJFEEDTXFW-GOSISDBHSA-N 2 0 346.475 2.101 10 0 EEAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924569771 1205997311 /nfs/dbraw/zinc/99/73/11/1205997311.db2.gz JJUDYADCGKLJOP-NHCUHLMSSA-N 2 0 345.531 2.455 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)C[C@@H]([NH3+])C1 ZINC000925637715 1206138432 /nfs/dbraw/zinc/13/84/32/1206138432.db2.gz QGVXUHAREQTZPJ-PVAVHDDUSA-N 2 0 330.476 2.068 10 0 EEAERP CC1(C)[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670737 1206142181 /nfs/dbraw/zinc/14/21/81/1206142181.db2.gz OBWHTCXNOBQXHP-IXDOHACOSA-N 2 0 341.455 2.039 10 0 EEAERP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCOC1 ZINC000925778719 1206153441 /nfs/dbraw/zinc/15/34/41/1206153441.db2.gz KRHRUVGKOSTXCR-ZNWBIBPKSA-N 2 0 346.471 2.274 10 0 EEAERP COc1cc(OC)c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1Cl ZINC000925811095 1206156554 /nfs/dbraw/zinc/15/65/54/1206156554.db2.gz QRYUQCPPIDVGJT-LBPRGKRZSA-N 2 0 341.883 2.431 10 0 EEAERP COc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000925829495 1206157909 /nfs/dbraw/zinc/15/79/09/1206157909.db2.gz OTWPFPMOXWRACU-COLVAYQJSA-N 2 0 343.265 2.300 10 0 EEAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925834858 1206158730 /nfs/dbraw/zinc/15/87/30/1206158730.db2.gz PBKDZQVBOSPRTK-IXDOHACOSA-N 2 0 336.501 2.000 10 0 EEAERP C[C@H]1[NH2+]CCC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000925838425 1206158922 /nfs/dbraw/zinc/15/89/22/1206158922.db2.gz XEZVCOOBZXSFQZ-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925843419 1206159217 /nfs/dbraw/zinc/15/92/17/1206159217.db2.gz NHZJSHCHDMCTKM-OYNPSCLESA-N 2 0 343.515 2.398 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(OC)c1 ZINC000925859338 1206162045 /nfs/dbraw/zinc/16/20/45/1206162045.db2.gz XRDFOXWDQCEGTN-ZFWWWQNUSA-N 2 0 348.443 2.040 10 0 EEAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000926493104 1206224048 /nfs/dbraw/zinc/22/40/48/1206224048.db2.gz SWDQCWXRUSFJQV-ZCNNSNEGSA-N 2 0 334.504 2.325 10 0 EEAERP COC[C@@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000930044494 1206531067 /nfs/dbraw/zinc/53/10/67/1206531067.db2.gz CIDBCTZRVIAZAL-GOSISDBHSA-N 2 0 325.541 2.395 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000930663013 1206573773 /nfs/dbraw/zinc/57/37/73/1206573773.db2.gz FFVBQRNZBJLRKN-UONOGXRCSA-N 2 0 337.430 2.102 10 0 EEAERP OC[C@H](O)C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000930682991 1206575556 /nfs/dbraw/zinc/57/55/56/1206575556.db2.gz XIMJDXVOICLSCB-RTWAWAEBSA-N 2 0 346.515 2.496 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000778642600 1208312688 /nfs/dbraw/zinc/31/26/88/1208312688.db2.gz YZXCOBIFIRDODN-ROUUACIJSA-N 2 0 340.508 2.397 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@]23CCCOC3)CC1 ZINC001413095509 1234083497 /nfs/dbraw/zinc/08/34/97/1234083497.db2.gz LZTINOTWWLGBQG-LJQANCHMSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCn1ccc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc21 ZINC000900784067 1234812595 /nfs/dbraw/zinc/81/25/95/1234812595.db2.gz XYSYRQQLEHXZDU-UHFFFAOYSA-N 2 0 326.444 2.237 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001413344546 1235648225 /nfs/dbraw/zinc/64/82/25/1235648225.db2.gz NJHNFWYIMAMODV-RHSMWYFYSA-N 2 0 335.467 2.335 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(-c3cccs3)on1)C2 ZINC000903492293 1240655875 /nfs/dbraw/zinc/65/58/75/1240655875.db2.gz LRHNTOFFTZFFPC-JKDFXYPNSA-N 2 0 347.440 2.115 10 0 EEAERP FC(F)(F)COCCCN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903886895 1242327079 /nfs/dbraw/zinc/32/70/79/1242327079.db2.gz VUENOIGHKNQUBA-MQVJKMGUSA-N 2 0 349.441 2.104 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001490925429 1258486836 /nfs/dbraw/zinc/48/68/36/1258486836.db2.gz ZOTDEOSHKNMVJV-QAQDUYKDSA-N 2 0 337.895 2.461 10 0 EEAERP C[C@@H](F)CC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001491353926 1258986331 /nfs/dbraw/zinc/98/63/31/1258986331.db2.gz GERSYPUBRFRPRD-QQFBHYJXSA-N 2 0 325.472 2.380 10 0 EEAERP C[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC1CC(C)(C)C1 ZINC001491523462 1259169654 /nfs/dbraw/zinc/16/96/54/1259169654.db2.gz QBTSHIZMWCVVRE-AWEZNQCLSA-N 2 0 341.459 2.411 10 0 EEAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)ccc1OC ZINC000850545293 1277263630 /nfs/dbraw/zinc/26/36/30/1277263630.db2.gz AFJNRONOSHNSBW-PBHICJAKSA-N 2 0 333.476 2.466 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001273847734 1286716510 /nfs/dbraw/zinc/71/65/10/1286716510.db2.gz CNIYMQCTKBBJPC-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001489240086 1290489353 /nfs/dbraw/zinc/48/93/53/1290489353.db2.gz YVPIHCGUHPOHJM-IBGZPJMESA-N 2 0 349.494 2.491 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCc1ccsc1)C1CC1 ZINC001490644714 1291509841 /nfs/dbraw/zinc/50/98/41/1291509841.db2.gz JANSGAJKWCSSKV-SJORKVTESA-N 2 0 335.517 2.259 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001490698794 1291629955 /nfs/dbraw/zinc/62/99/55/1291629955.db2.gz JPEREAGHMWCMRO-VDGAXYAQSA-N 2 0 343.515 2.444 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC[C@H]2CCCO2)C1 ZINC001490782962 1291728579 /nfs/dbraw/zinc/72/85/79/1291728579.db2.gz MHADRUPTYFPXED-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852857803 1292217652 /nfs/dbraw/zinc/21/76/52/1292217652.db2.gz GPZIOSSUQFHFIP-XJKSGUPXSA-N 2 0 330.432 2.103 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH]nc3C)C2)ccn1 ZINC000856552956 1293564655 /nfs/dbraw/zinc/56/46/55/1293564655.db2.gz IZJZXTWAYWFXAM-SFHVURJKSA-N 2 0 329.448 2.218 10 0 EEAERP C[NH+](C)C1(C)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931353210 1297152786 /nfs/dbraw/zinc/15/27/86/1297152786.db2.gz BUGNHNQHRFBDDF-HXUWFJFHSA-N 2 0 331.504 2.040 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001276779992 1297625338 /nfs/dbraw/zinc/62/53/38/1297625338.db2.gz UVPHCIIJMWWULZ-KSSFIOAISA-N 2 0 344.459 2.262 10 0 EEAERP C[C@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355291 1302606466 /nfs/dbraw/zinc/60/64/66/1302606466.db2.gz DQLRKIBTHRHNEO-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001491560853 1304438765 /nfs/dbraw/zinc/43/87/65/1304438765.db2.gz RORSUHVXHCASPC-YDHLFZDLSA-N 2 0 338.883 2.060 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)cc1 ZINC001277940672 1305208709 /nfs/dbraw/zinc/20/87/09/1305208709.db2.gz IZGMDZGKWJNPCP-GOSISDBHSA-N 2 0 335.467 2.345 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001277947813 1305246140 /nfs/dbraw/zinc/24/61/40/1305246140.db2.gz PPPAEWDZLUGFKV-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001278466009 1310430649 /nfs/dbraw/zinc/43/06/49/1310430649.db2.gz FEACQMNOARURCJ-FXAWDEMLSA-N 2 0 349.519 2.011 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)C[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000843492061 1315922992 /nfs/dbraw/zinc/92/29/92/1315922992.db2.gz LQBALMRJOJESSH-DCPHZVHLSA-N 2 0 343.471 2.089 10 0 EEAERP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001278528629 1317151908 /nfs/dbraw/zinc/15/19/08/1317151908.db2.gz HAVJHQCDHJOJKL-JKNJVXJCSA-N 2 0 327.900 2.442 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@@H](C(F)(F)F)C1 ZINC001278704571 1317803247 /nfs/dbraw/zinc/80/32/47/1317803247.db2.gz SHGVPFXPIVMZTH-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001264655669 1322767912 /nfs/dbraw/zinc/76/79/12/1322767912.db2.gz JINOKTNLWBMHSF-MSOLQXFVSA-N 2 0 333.520 2.443 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccnc1 ZINC001265043404 1322884420 /nfs/dbraw/zinc/88/44/20/1322884420.db2.gz LEIQGYFEXWGBEK-SFHVURJKSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1F)[NH+](C)C ZINC001265061095 1322899818 /nfs/dbraw/zinc/89/98/18/1322899818.db2.gz CHUNFAXGEIKXAU-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cccnc1C ZINC001265143007 1322945787 /nfs/dbraw/zinc/94/57/87/1322945787.db2.gz UYFKYTWEJNLCDX-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001265215399 1322989132 /nfs/dbraw/zinc/98/91/32/1322989132.db2.gz ZNQAPMBPERHAEV-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCCOc2ccccc2)C1)C1CCC1 ZINC001265287515 1323038935 /nfs/dbraw/zinc/03/89/35/1323038935.db2.gz BPROTOWEVGALOB-KRWDZBQOSA-N 2 0 345.487 2.130 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001265441724 1323156796 /nfs/dbraw/zinc/15/67/96/1323156796.db2.gz RIXXRPKUSBGUEA-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265609253 1323263530 /nfs/dbraw/zinc/26/35/30/1323263530.db2.gz LOEASPJMERGKDK-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCOC)C1 ZINC001265652234 1323297459 /nfs/dbraw/zinc/29/74/59/1323297459.db2.gz TWVXHWBBPNGNCK-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)C[C@H]1CC(C)(C)CO1 ZINC001265865240 1323438209 /nfs/dbraw/zinc/43/82/09/1323438209.db2.gz WBCQKDFLJPVABJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cn1cncc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001265880908 1323452613 /nfs/dbraw/zinc/45/26/13/1323452613.db2.gz ZURJCZWQGBFZKC-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)C[NH+]2CC[C@H](C)C2)c1C ZINC001265922670 1323488063 /nfs/dbraw/zinc/48/80/63/1323488063.db2.gz BNSCFQMNBGSPOI-INIZCTEOSA-N 2 0 347.503 2.284 10 0 EEAERP CN1CCO[C@@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001266207319 1323772017 /nfs/dbraw/zinc/77/20/17/1323772017.db2.gz LKPHHLOMTARHGD-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001266241638 1323831526 /nfs/dbraw/zinc/83/15/26/1323831526.db2.gz RLQKIGKLTVBUHH-CQSZACIVSA-N 2 0 347.425 2.395 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001280082533 1324077987 /nfs/dbraw/zinc/07/79/87/1324077987.db2.gz DHRWFGRYGZPHAL-HKUYNNGSSA-N 2 0 346.519 2.304 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC001276656664 1324984703 /nfs/dbraw/zinc/98/47/03/1324984703.db2.gz QZTCGSKWJVFDKY-XLIONFOSSA-N 2 0 343.515 2.364 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCOC)CC1(C)C ZINC001281568754 1325297211 /nfs/dbraw/zinc/29/72/11/1325297211.db2.gz XWHIFNJUHGJPMM-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccns1 ZINC001283174752 1325944547 /nfs/dbraw/zinc/94/45/47/1325944547.db2.gz ZGZFVAIDLQWRCO-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283192788 1325951171 /nfs/dbraw/zinc/95/11/71/1325951171.db2.gz UXXFYVGGRGEPBB-CRAIPNDOSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001283621679 1326166639 /nfs/dbraw/zinc/16/66/39/1326166639.db2.gz OECBEEOTXXBISW-ZDUSSCGKSA-N 2 0 338.883 2.156 10 0 EEAERP COc1cccc(CCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001284003313 1326358266 /nfs/dbraw/zinc/35/82/66/1326358266.db2.gz JXGZHSMVDLRIAC-FUHWJXTLSA-N 2 0 347.503 2.159 10 0 EEAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001284247312 1326473724 /nfs/dbraw/zinc/47/37/24/1326473724.db2.gz YLMSTESJOUBNGJ-QWHCGFSZSA-N 2 0 346.302 2.276 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001491858481 1330276561 /nfs/dbraw/zinc/27/65/61/1330276561.db2.gz JCVQFBYUGBWUQH-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP C[N@H+](CCOc1ccccc1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491965279 1330359854 /nfs/dbraw/zinc/35/98/54/1330359854.db2.gz JEQCJGVQOYXFRK-SFHVURJKSA-N 2 0 345.487 2.084 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncc(Cl)s1 ZINC001492110686 1330479583 /nfs/dbraw/zinc/47/95/83/1330479583.db2.gz OCRRQGHCOSWNRM-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CCc2ccccc2F)C1 ZINC001316850254 1331444158 /nfs/dbraw/zinc/44/41/58/1331444158.db2.gz CJXHUZLVHKBTKZ-MRXNPFEDSA-N 2 0 335.467 2.148 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316878289 1331809480 /nfs/dbraw/zinc/80/94/80/1331809480.db2.gz MBZSJOSEGQMLDW-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316878295 1331810780 /nfs/dbraw/zinc/81/07/80/1331810780.db2.gz MBZSJOSEGQMLDW-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316831266 1331921323 /nfs/dbraw/zinc/92/13/23/1331921323.db2.gz YCAYNZMUXNJHPM-UHFFFAOYSA-N 2 0 349.523 2.195 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317266448 1332158771 /nfs/dbraw/zinc/15/87/71/1332158771.db2.gz WULAISPWVDPPOC-SJLPKXTDSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001317320629 1332178010 /nfs/dbraw/zinc/17/80/10/1332178010.db2.gz APOKVXBCRPJLRR-HTHIYJJCSA-N 2 0 341.499 2.478 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1 ZINC001317602502 1332320878 /nfs/dbraw/zinc/32/08/78/1332320878.db2.gz AQMQFAZGTBIXRM-SFHVURJKSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317644329 1332345121 /nfs/dbraw/zinc/34/51/21/1332345121.db2.gz WDDJNZTXUQGXQG-QAPCUYQASA-N 2 0 348.491 2.110 10 0 EEAERP CC(C)N(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ncccn1 ZINC001317686497 1332372970 /nfs/dbraw/zinc/37/29/70/1332372970.db2.gz PELJLUGFYUWHED-KRWDZBQOSA-N 2 0 347.507 2.066 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001318413278 1332528847 /nfs/dbraw/zinc/52/88/47/1332528847.db2.gz NGWLRYRIAFJZCH-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001318794833 1332599372 /nfs/dbraw/zinc/59/93/72/1332599372.db2.gz SVKMURCICILLIH-WMZOPIPTSA-N 2 0 348.491 2.266 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001318831782 1332606716 /nfs/dbraw/zinc/60/67/16/1332606716.db2.gz XMUQWWLGFMQHLC-PKOBYXMFSA-N 2 0 346.519 2.386 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001318895348 1332619225 /nfs/dbraw/zinc/61/92/25/1332619225.db2.gz FGIAZJBVROKKRV-SFHVURJKSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001319778796 1332765662 /nfs/dbraw/zinc/76/56/62/1332765662.db2.gz PAXAGAYHGHYDRO-QGZVFWFLSA-N 2 0 341.459 2.217 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(O)ccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320372292 1332870051 /nfs/dbraw/zinc/87/00/51/1332870051.db2.gz OHBWKMWEVMPRTR-BLLLJJGKSA-N 2 0 339.867 2.124 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320416468 1332878536 /nfs/dbraw/zinc/87/85/36/1332878536.db2.gz VNXGEYZXMJWJCC-GDBMZVCRSA-N 2 0 348.491 2.124 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001320463200 1332889448 /nfs/dbraw/zinc/88/94/48/1332889448.db2.gz FFESSHIOGBYGNL-QAPCUYQASA-N 2 0 333.476 2.164 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cnc(C)o2)C1 ZINC001320527558 1332903095 /nfs/dbraw/zinc/90/30/95/1332903095.db2.gz ANJWFEAUTSBKMQ-HOCLYGCPSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001320530223 1332904173 /nfs/dbraw/zinc/90/41/73/1332904173.db2.gz RQWMQGWHXCTENQ-BQFCYCMXSA-N 2 0 332.492 2.105 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001320902949 1332976151 /nfs/dbraw/zinc/97/61/51/1332976151.db2.gz RTJYBYOLHDUDNP-IBGZPJMESA-N 2 0 333.451 2.250 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067698 1333010675 /nfs/dbraw/zinc/01/06/75/1333010675.db2.gz XMAXEGDRWLOJST-NYZDRWPISA-N 2 0 333.451 2.489 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001321200200 1333043309 /nfs/dbraw/zinc/04/33/09/1333043309.db2.gz MXZNDTZAHHAHSQ-UEKDZROGSA-N 2 0 329.488 2.495 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001321211951 1333046140 /nfs/dbraw/zinc/04/61/40/1333046140.db2.gz VBIPJRDFTGJJTH-NHZBNJEXSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321249989 1333055146 /nfs/dbraw/zinc/05/51/46/1333055146.db2.gz MYNHZHPSHORAKO-AQVLZCAOSA-N 2 0 331.451 2.209 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001321335507 1333077065 /nfs/dbraw/zinc/07/70/65/1333077065.db2.gz HKXUGJQMHFSMNP-XLYSIVADSA-N 2 0 345.487 2.360 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321848807 1333167461 /nfs/dbraw/zinc/16/74/61/1333167461.db2.gz JAFWSLDLMJMWMI-WMLDXEAASA-N 2 0 335.517 2.117 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001322566436 1333283966 /nfs/dbraw/zinc/28/39/66/1333283966.db2.gz OGECTOVZINMCOM-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001322640915 1333299705 /nfs/dbraw/zinc/29/97/05/1333299705.db2.gz LWFLMJVXTYRLEO-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322695203 1333309437 /nfs/dbraw/zinc/30/94/37/1333309437.db2.gz YCYSHMVQFCUEND-SFHVURJKSA-N 2 0 345.503 2.062 10 0 EEAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC ZINC001323141273 1333394966 /nfs/dbraw/zinc/39/49/66/1333394966.db2.gz ASUBCYXLCQOXNG-SJORKVTESA-N 2 0 349.523 2.075 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CC1CC(F)(F)C1 ZINC001323372307 1333451876 /nfs/dbraw/zinc/45/18/76/1333451876.db2.gz UMUXECFSEDSQCN-INIZCTEOSA-N 2 0 343.462 2.488 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001324092120 1333607697 /nfs/dbraw/zinc/60/76/97/1333607697.db2.gz YNPCMXLMQRRZRL-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001324707168 1333742943 /nfs/dbraw/zinc/74/29/43/1333742943.db2.gz PKGUEAWBGPAWQZ-CTNGQTDRSA-N 2 0 343.515 2.460 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325396124 1333878904 /nfs/dbraw/zinc/87/89/04/1333878904.db2.gz HNJPCESMBCNGPO-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]Cc1ccns1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455486 1333889789 /nfs/dbraw/zinc/88/97/89/1333889789.db2.gz LPRUACOYWBUELH-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325458134 1333890335 /nfs/dbraw/zinc/89/03/35/1333890335.db2.gz USLGYFROBLGXML-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001327033599 1334207872 /nfs/dbraw/zinc/20/78/72/1334207872.db2.gz DEMRIDVQUQUOGI-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001328764536 1334516285 /nfs/dbraw/zinc/51/62/85/1334516285.db2.gz BWKDRUFYSCUKBW-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@H]3CCCC3(F)F)C2)C1 ZINC001330700799 1334888851 /nfs/dbraw/zinc/88/88/51/1334888851.db2.gz WETFINLNCXWSPV-JONQDZQNSA-N 2 0 343.462 2.248 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)n1 ZINC001330837515 1334912641 /nfs/dbraw/zinc/91/26/41/1334912641.db2.gz WHFLOFZNTXWPMF-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001331917914 1335674314 /nfs/dbraw/zinc/67/43/14/1335674314.db2.gz JOIBSOYKJRBWJZ-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001332030793 1335709960 /nfs/dbraw/zinc/70/99/60/1335709960.db2.gz JDVCQIQEGAKRRJ-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001332118709 1335734548 /nfs/dbraw/zinc/73/45/48/1335734548.db2.gz PKCHBSGYULBZJP-PKOBYXMFSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@H+](CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCF)C1)C1CCCCC1 ZINC001332293202 1335794439 /nfs/dbraw/zinc/79/44/39/1335794439.db2.gz OYSKMOAOUWHPBM-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CN(C[C@H](O)C[NH2+]CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332553619 1335848111 /nfs/dbraw/zinc/84/81/11/1335848111.db2.gz WQDJSSLGVBZKOX-MRXNPFEDSA-N 2 0 341.540 2.096 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)cc2)CC1 ZINC001339053789 1336950932 /nfs/dbraw/zinc/95/09/32/1336950932.db2.gz NHHNGGNBRYYTBS-MOPGFXCFSA-N 2 0 342.487 2.394 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001668652368 1355980018 /nfs/dbraw/zinc/98/00/18/1355980018.db2.gz NJQOLLXRDJLNRA-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001434824693 1341952956 /nfs/dbraw/zinc/95/29/56/1341952956.db2.gz SNXYESOYHOBDCJ-OALUTQOASA-N 2 0 344.503 2.435 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001436358417 1342050180 /nfs/dbraw/zinc/05/01/80/1342050180.db2.gz GRTICVJZOHAMDY-ZXFNITATSA-N 2 0 345.478 2.431 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938216 1342482912 /nfs/dbraw/zinc/48/29/12/1342482912.db2.gz HANOGILGHPAGFJ-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566742738 1342621415 /nfs/dbraw/zinc/62/14/15/1342621415.db2.gz BNUJCVXBPUEQHP-KRWDZBQOSA-N 2 0 341.540 2.171 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001566990880 1342674487 /nfs/dbraw/zinc/67/44/87/1342674487.db2.gz YASTVBQUHRYXCV-WWDZGPRUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]CCc2ccns2)ccc2c[nH+]cn21 ZINC001567028128 1342683566 /nfs/dbraw/zinc/68/35/66/1342683566.db2.gz FUCRWBGFFBHSPJ-GFCCVEGCSA-N 2 0 343.456 2.050 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001570012909 1342999203 /nfs/dbraw/zinc/99/92/03/1342999203.db2.gz AFVXCKDRWQELCJ-OMZQKGCKSA-N 2 0 348.318 2.475 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001676669524 1357178376 /nfs/dbraw/zinc/17/83/76/1357178376.db2.gz VRVRBDDNDLRAPD-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001676873701 1357228192 /nfs/dbraw/zinc/22/81/92/1357228192.db2.gz QPTMPCFWGMQJQZ-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC001647112846 1353148219 /nfs/dbraw/zinc/14/82/19/1353148219.db2.gz CKAHGROWJSJHKZ-WBVHZDCISA-N 2 0 346.475 2.387 10 0 EEAERP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001650042702 1353697694 /nfs/dbraw/zinc/69/76/94/1353697694.db2.gz VTHZROATSSTIFS-IEBWSBKVSA-N 2 0 344.503 2.305 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001660466037 1354469033 /nfs/dbraw/zinc/46/90/33/1354469033.db2.gz PMQHLZZEIKGNIR-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(NCCC[N@H+](Cc1ccccn1)C1CC1)C12CCC[NH+]1CCC2 ZINC001660699722 1354519512 /nfs/dbraw/zinc/51/95/12/1354519512.db2.gz MNXGBCYUULMKQB-UHFFFAOYSA-N 2 0 342.487 2.181 10 0 EEAERP Cc1ncsc1C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001660744718 1354529677 /nfs/dbraw/zinc/52/96/77/1354529677.db2.gz MUJQIVRTLFWZOG-UHFFFAOYSA-N 2 0 348.516 2.018 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001660790997 1354538664 /nfs/dbraw/zinc/53/86/64/1354538664.db2.gz DWUNGORUBHUDGR-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCOCC)CC1 ZINC001661097134 1354590627 /nfs/dbraw/zinc/59/06/27/1354590627.db2.gz JPFJRDLSFMBXDZ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001661678143 1354671447 /nfs/dbraw/zinc/67/14/47/1354671447.db2.gz DRWSWPBQHTVZMF-TXEJJXNPSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001661817981 1354702545 /nfs/dbraw/zinc/70/25/45/1354702545.db2.gz GFYOSPLOUXOXPZ-QUCCMNQESA-N 2 0 343.515 2.399 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH]ccc-2n1 ZINC001661930026 1354724814 /nfs/dbraw/zinc/72/48/14/1354724814.db2.gz PCKZDGGZRQMNGZ-OAHLLOKOSA-N 2 0 330.432 2.184 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001662732707 1354833817 /nfs/dbraw/zinc/83/38/17/1354833817.db2.gz GKIPVLGYIHYYER-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCOCC2CCC2)C1)[NH+](C)C ZINC001662845254 1354862589 /nfs/dbraw/zinc/86/25/89/1354862589.db2.gz MTJUYEOULVAAIC-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC001665687110 1355360334 /nfs/dbraw/zinc/36/03/34/1355360334.db2.gz WZFQNBRQYSANPX-SFHVURJKSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001666922069 1355615164 /nfs/dbraw/zinc/61/51/64/1355615164.db2.gz XTSWQCGHNWSIHP-QGZVFWFLSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001668185565 1355894355 /nfs/dbraw/zinc/89/43/55/1355894355.db2.gz OLDMJWZTGPITSX-XEZPLFJOSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)on1 ZINC001668318681 1355922849 /nfs/dbraw/zinc/92/28/49/1355922849.db2.gz BDLRFEJVWYPJBQ-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001668929405 1356047779 /nfs/dbraw/zinc/04/77/79/1356047779.db2.gz GVILASYBZQOEIM-XVWMLYKFSA-N 2 0 327.432 2.189 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001669001747 1356065550 /nfs/dbraw/zinc/06/55/50/1356065550.db2.gz SQZUZPPQWUAKJW-ARJAWSKDSA-N 2 0 341.499 2.279 10 0 EEAERP CO[C@@H](C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001670143716 1356284374 /nfs/dbraw/zinc/28/43/74/1356284374.db2.gz HRIVICZFQZIXHG-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1C ZINC001670144777 1356284984 /nfs/dbraw/zinc/28/49/84/1356284984.db2.gz SDHUPAIYOMNUGF-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001671379431 1356333816 /nfs/dbraw/zinc/33/38/16/1356333816.db2.gz OTXDPMUJYYOMEC-MOPGFXCFSA-N 2 0 329.488 2.070 10 0 EEAERP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001673747562 1356742008 /nfs/dbraw/zinc/74/20/08/1356742008.db2.gz ZCGIOISVRKFVJG-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001675153340 1356939602 /nfs/dbraw/zinc/93/96/02/1356939602.db2.gz BRVLRIXQHBAJFT-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675620888 1357017486 /nfs/dbraw/zinc/01/74/86/1357017486.db2.gz GPKIBRZGAPCVHC-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001675898125 1357064971 /nfs/dbraw/zinc/06/49/71/1357064971.db2.gz KKWACHXLHADQHR-RHSMWYFYSA-N 2 0 336.480 2.230 10 0 EEAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+](C)CC(C)C ZINC001683612499 1358194314 /nfs/dbraw/zinc/19/43/14/1358194314.db2.gz XPUJLXRGKBDTAO-QGZVFWFLSA-N 2 0 326.529 2.336 10 0 EEAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+](C)CC(C)C ZINC001683612498 1358194542 /nfs/dbraw/zinc/19/45/42/1358194542.db2.gz XPUJLXRGKBDTAO-KRWDZBQOSA-N 2 0 326.529 2.336 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105511 1405259266 /nfs/dbraw/zinc/25/92/66/1405259266.db2.gz GTMTUYPOXKVXOY-CYBMUJFWSA-N 2 0 334.464 2.021 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001699140299 1405290956 /nfs/dbraw/zinc/29/09/56/1405290956.db2.gz HRWXMKONNPZKHZ-INIZCTEOSA-N 2 0 347.503 2.412 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699545251 1405380123 /nfs/dbraw/zinc/38/01/23/1405380123.db2.gz KBNDZBBEKBAAAG-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001699740841 1405463358 /nfs/dbraw/zinc/46/33/58/1405463358.db2.gz RRZQCCITQPBPKS-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc(Cl)n1 ZINC000846694583 790417852 /nfs/dbraw/zinc/41/78/52/790417852.db2.gz QUIWZCUHKUKJHF-GLQYFDAESA-N 2 0 338.883 2.409 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925875824 779814529 /nfs/dbraw/zinc/81/45/29/779814529.db2.gz NSFYHYUDARFZHS-GUTXKFCHSA-N 2 0 325.478 2.226 10 0 EEAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000818178927 785205822 /nfs/dbraw/zinc/20/58/22/785205822.db2.gz VNORQIPTDNUUHS-ROUUACIJSA-N 2 0 325.472 2.143 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000822507272 787248655 /nfs/dbraw/zinc/24/86/55/787248655.db2.gz CBYKRPMHVQSQLA-UHFFFAOYSA-N 2 0 347.385 2.105 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCOC3)C1 ZINC000921544752 789149371 /nfs/dbraw/zinc/14/93/71/789149371.db2.gz VNPLBAXJQINZRX-HOTGVXAUSA-N 2 0 334.508 2.341 10 0 EEAERP O[C@@H](CCc1ccccc1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923408648 789514681 /nfs/dbraw/zinc/51/46/81/789514681.db2.gz DJMXWRIQSBRZJS-PMACEKPBSA-N 2 0 332.488 2.071 10 0 EEAERP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498931 789680830 /nfs/dbraw/zinc/68/08/30/789680830.db2.gz QWWAQLJHLAZZOU-WBVHZDCISA-N 2 0 333.476 2.008 10 0 EEAERP CCCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846226794 790094065 /nfs/dbraw/zinc/09/40/65/790094065.db2.gz CADSKKPXWSQXHH-ZACQAIPSSA-N 2 0 325.497 2.044 10 0 EEAERP Cn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C2CCCC2)n1 ZINC000921720982 795611516 /nfs/dbraw/zinc/61/15/16/795611516.db2.gz NTKUVXGETBANGO-GOSISDBHSA-N 2 0 334.508 2.404 10 0 EEAERP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000952995084 796166480 /nfs/dbraw/zinc/16/64/80/796166480.db2.gz CPRSEIHZEWQBGU-AEFFLSMTSA-N 2 0 345.487 2.006 10 0 EEAERP CN1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1=O ZINC000716651594 796405042 /nfs/dbraw/zinc/40/50/42/796405042.db2.gz QXTLUSSEPVOOPZ-CADBVGFASA-N 2 0 327.472 2.250 10 0 EEAERP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677582 796406094 /nfs/dbraw/zinc/40/60/94/796406094.db2.gz GNSAQHPAPTYBCX-PMXSJFBMSA-N 2 0 343.515 2.350 10 0 EEAERP OC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000716688830 796442684 /nfs/dbraw/zinc/44/26/84/796442684.db2.gz BTQWRURJZURINZ-FHWLQOOXSA-N 2 0 330.472 2.171 10 0 EEAERP CO[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCC2 ZINC000453118274 799134211 /nfs/dbraw/zinc/13/42/11/799134211.db2.gz LFZLESIXKLFHMG-ZWKOTPCHSA-N 2 0 335.536 2.484 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000922854902 802069024 /nfs/dbraw/zinc/06/90/24/802069024.db2.gz ZAKFBKCWCCLKQA-AEFFLSMTSA-N 2 0 347.507 2.106 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001566052626 1125527594 /nfs/dbraw/zinc/52/75/94/1125527594.db2.gz FKGUWLPGNBKWEN-KSULIHCOSA-N 2 0 333.520 2.465 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001436843170 1088479639 /nfs/dbraw/zinc/47/96/39/1088479639.db2.gz PWKXPEIWEYXCRN-SJORKVTESA-N 2 0 329.504 2.493 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](C/C=C\Cl)CC[C@H]32)CC1 ZINC001436946116 1088626517 /nfs/dbraw/zinc/62/65/17/1088626517.db2.gz QXZGKHJRDHRKPK-JKUHXPQUSA-N 2 0 339.911 2.394 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001436967407 1088659386 /nfs/dbraw/zinc/65/93/86/1088659386.db2.gz NVSROCOOMLJKKH-ZDEQEGDKSA-N 2 0 334.291 2.273 10 0 EEAERP Cc1ncoc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437001464 1088757929 /nfs/dbraw/zinc/75/79/29/1088757929.db2.gz RDCQADKJGLADFW-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437012417 1088789391 /nfs/dbraw/zinc/78/93/91/1088789391.db2.gz NXPVQALFGDNRDI-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001437025867 1088822520 /nfs/dbraw/zinc/82/25/20/1088822520.db2.gz YBEOEZQMYTYYKH-SFHVURJKSA-N 2 0 346.519 2.368 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437156565 1089158777 /nfs/dbraw/zinc/15/87/77/1089158777.db2.gz OCQZTYZMDVWTNL-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cccnc1C ZINC001437640321 1090158775 /nfs/dbraw/zinc/15/87/75/1090158775.db2.gz AYTXCWNJWWIHJI-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001437723955 1090278597 /nfs/dbraw/zinc/27/85/97/1090278597.db2.gz GGSCZDYJXMPCLY-PKOBYXMFSA-N 2 0 329.488 2.275 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001437728962 1090284443 /nfs/dbraw/zinc/28/44/43/1090284443.db2.gz ROBYPNBNHNPXLI-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1cc(C[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cs1 ZINC001437814547 1090407451 /nfs/dbraw/zinc/40/74/51/1090407451.db2.gz KMUZURDEXCTQSY-OAHLLOKOSA-N 2 0 335.517 2.479 10 0 EEAERP C[N@H+](C/C=C/Cl)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001437973767 1090565059 /nfs/dbraw/zinc/56/50/59/1090565059.db2.gz GYSRSCZWDVAVDW-KZJSRBBCSA-N 2 0 339.911 2.395 10 0 EEAERP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001438142017 1090663828 /nfs/dbraw/zinc/66/38/28/1090663828.db2.gz FXGTZOGZKLYMCW-KBXCAEBGSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001438144090 1090665674 /nfs/dbraw/zinc/66/56/74/1090665674.db2.gz DCQGCIKRSCZIKD-UHFFFAOYSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001438234168 1090714872 /nfs/dbraw/zinc/71/48/72/1090714872.db2.gz URYFJWBDACPJQG-ROUUACIJSA-N 2 0 339.524 2.207 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001438250856 1090734802 /nfs/dbraw/zinc/73/48/02/1090734802.db2.gz WLQCOGATADWQBL-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001438708216 1091220466 /nfs/dbraw/zinc/22/04/66/1091220466.db2.gz ARCQVCPYEANQBK-BEFAXECRSA-N 2 0 333.451 2.248 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001438800272 1091406045 /nfs/dbraw/zinc/40/60/45/1091406045.db2.gz CTKATMBUWRQICC-DLBZAZTESA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445646134 1091434739 /nfs/dbraw/zinc/43/47/39/1091434739.db2.gz DZNDENRZSJXLNZ-RYUDHWBXSA-N 2 0 327.831 2.025 10 0 EEAERP Cc1nc(C)c(CN(C)CCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)o1 ZINC001438887179 1091529844 /nfs/dbraw/zinc/52/98/44/1091529844.db2.gz AALVOSNLLBNRCQ-DLBZAZTESA-N 2 0 348.491 2.199 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001439157268 1091800089 /nfs/dbraw/zinc/80/00/89/1091800089.db2.gz AYUGVOADLWDKOG-CZUORRHYSA-N 2 0 336.480 2.149 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001445982860 1091946697 /nfs/dbraw/zinc/94/66/97/1091946697.db2.gz QKNDPURVLFVAIF-KXBFYZLASA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325577 1092003209 /nfs/dbraw/zinc/00/32/09/1092003209.db2.gz KMVIWYSMWPNZPN-BEFAXECRSA-N 2 0 347.478 2.412 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ocnc1C ZINC001446017646 1092003421 /nfs/dbraw/zinc/00/34/21/1092003421.db2.gz TXGAOBXUFCDKOB-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)n1 ZINC001439398260 1092150800 /nfs/dbraw/zinc/15/08/00/1092150800.db2.gz JGAHSZCGQKXZHN-SJORKVTESA-N 2 0 346.519 2.483 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001439493625 1092321527 /nfs/dbraw/zinc/32/15/27/1092321527.db2.gz LHFLEHZSRSMKDR-LJQANCHMSA-N 2 0 340.471 2.248 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)[NH+](CC)CC ZINC001439542511 1092408786 /nfs/dbraw/zinc/40/87/86/1092408786.db2.gz AVKJOIKFKVJRRV-HUUCEWRRSA-N 2 0 331.451 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccc(Cl)cc3)CC2)C1 ZINC001439661676 1092596196 /nfs/dbraw/zinc/59/61/96/1092596196.db2.gz OEIHUMFDRJXSPB-OAHLLOKOSA-N 2 0 335.879 2.420 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001439870636 1092908957 /nfs/dbraw/zinc/90/89/57/1092908957.db2.gz KSLLJMSWHJSCST-KRWDZBQOSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001439943957 1093051009 /nfs/dbraw/zinc/05/10/09/1093051009.db2.gz NULMATXBDVAZRO-SJLPKXTDSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2C1)[NH+](CC)CC ZINC001440150464 1093209763 /nfs/dbraw/zinc/20/97/63/1093209763.db2.gz OPDZEBPPLPDJTP-VVLHAWIVSA-N 2 0 327.488 2.245 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H](C)c1ccccc1 ZINC001440201959 1093273378 /nfs/dbraw/zinc/27/33/78/1093273378.db2.gz SHWSJAQPJBEQNO-IEBWSBKVSA-N 2 0 347.503 2.031 10 0 EEAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001448458005 1093467478 /nfs/dbraw/zinc/46/74/78/1093467478.db2.gz HATVMBYXCWSNFP-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cscn3)C2)CCC1 ZINC001440402754 1093590706 /nfs/dbraw/zinc/59/07/06/1093590706.db2.gz JRLWKJQRCDDIIP-UONOGXRCSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001440478119 1093706568 /nfs/dbraw/zinc/70/65/68/1093706568.db2.gz WJYKUJHSBQYHPQ-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001448685394 1093750309 /nfs/dbraw/zinc/75/03/09/1093750309.db2.gz SVJQBXUDMVOFJU-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)C[C@H]1CCCOC1 ZINC001440521878 1093775560 /nfs/dbraw/zinc/77/55/60/1093775560.db2.gz XFUPDVQIVYIVQQ-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440592142 1093858045 /nfs/dbraw/zinc/85/80/45/1093858045.db2.gz QJLAQTKLFASWGQ-QFBILLFUSA-N 2 0 331.504 2.180 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001440649415 1093919428 /nfs/dbraw/zinc/91/94/28/1093919428.db2.gz OLWAKKKHFOEYBS-QAPCUYQASA-N 2 0 349.523 2.193 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001449051544 1094064667 /nfs/dbraw/zinc/06/46/67/1094064667.db2.gz HDSUGGHDKLRACG-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440824913 1094077008 /nfs/dbraw/zinc/07/70/08/1094077008.db2.gz OBKKFMYVCKRBNQ-KBPBESRZSA-N 2 0 336.455 2.078 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001440855547 1094115299 /nfs/dbraw/zinc/11/52/99/1094115299.db2.gz JDFVUOZFPSKKPB-OLZOCXBDSA-N 2 0 327.419 2.288 10 0 EEAERP COc1ccccc1CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001440905476 1094159858 /nfs/dbraw/zinc/15/98/58/1094159858.db2.gz BNALYYYKBSAJAF-WMZOPIPTSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001440986526 1094251083 /nfs/dbraw/zinc/25/10/83/1094251083.db2.gz KEGFKHZQDFFPAZ-DOTOQJQBSA-N 2 0 336.480 2.182 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001441034005 1094328510 /nfs/dbraw/zinc/32/85/10/1094328510.db2.gz KBBFDEXMFZQYSE-CYBMUJFWSA-N 2 0 327.419 2.242 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001449366642 1094331974 /nfs/dbraw/zinc/33/19/74/1094331974.db2.gz HAXYMBAUUFJLMQ-MDDUGHTDSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1conc1C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001441103452 1094409257 /nfs/dbraw/zinc/40/92/57/1094409257.db2.gz NVMXOHKFWDHRPT-UHFFFAOYSA-N 2 0 336.480 2.234 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001441376811 1094913704 /nfs/dbraw/zinc/91/37/04/1094913704.db2.gz FJUCOTOORWPMGM-SAZUREKKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441447582 1095081293 /nfs/dbraw/zinc/08/12/93/1095081293.db2.gz YLECDJGVVCBNKK-JFIYKMOQSA-N 2 0 348.491 2.230 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001441510249 1095199611 /nfs/dbraw/zinc/19/96/11/1095199611.db2.gz ITQQODITYPGPGG-GPMSIDNRSA-N 2 0 347.503 2.110 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001441550772 1095279346 /nfs/dbraw/zinc/27/93/46/1095279346.db2.gz RKJNJMPFKGHDTP-GASCZTMLSA-N 2 0 336.480 2.183 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@@H]1C ZINC001441832914 1095894902 /nfs/dbraw/zinc/89/49/02/1095894902.db2.gz JEDSBPXNFQKKAQ-BBRMVZONSA-N 2 0 339.430 2.384 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)ncn1 ZINC001441910853 1096084257 /nfs/dbraw/zinc/08/42/57/1096084257.db2.gz COKDLWIHXACMEA-INIZCTEOSA-N 2 0 347.507 2.034 10 0 EEAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001441927580 1096114275 /nfs/dbraw/zinc/11/42/75/1096114275.db2.gz FLMGJVPNLUKMED-KGLIPLIRSA-N 2 0 337.430 2.209 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056055 1096268207 /nfs/dbraw/zinc/26/82/07/1096268207.db2.gz ASQZMPFTVWPMOK-DOTOQJQBSA-N 2 0 349.523 2.107 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001442296436 1096612059 /nfs/dbraw/zinc/61/20/59/1096612059.db2.gz QNAMIJXOXIAXHF-CHWSQXEVSA-N 2 0 338.521 2.086 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001442502723 1096850258 /nfs/dbraw/zinc/85/02/58/1096850258.db2.gz IZYFZDOPYSNONX-CQSZACIVSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2c1c(F)ccc2F ZINC001442571179 1096933985 /nfs/dbraw/zinc/93/39/85/1096933985.db2.gz QPPXPGHNJLPWPX-MRXNPFEDSA-N 2 0 339.430 2.342 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001442802267 1097182664 /nfs/dbraw/zinc/18/26/64/1097182664.db2.gz KBJLRDNJCLPHBR-SFHVURJKSA-N 2 0 344.503 2.263 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001443190282 1097634683 /nfs/dbraw/zinc/63/46/83/1097634683.db2.gz SAYKBFXWDYZZFA-RBUKOAKNSA-N 2 0 344.503 2.155 10 0 EEAERP COc1cccc([C@H](C)N2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001443484197 1097981131 /nfs/dbraw/zinc/98/11/31/1097981131.db2.gz WPFXFXJQKYMYEJ-MAUKXSAKSA-N 2 0 345.487 2.431 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001443979368 1098495795 /nfs/dbraw/zinc/49/57/95/1098495795.db2.gz HSPYEWHFSGQIMT-MAUKXSAKSA-N 2 0 342.487 2.494 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1nccs1 ZINC001444001622 1098515970 /nfs/dbraw/zinc/51/59/70/1098515970.db2.gz IRFCKDPGYFKICA-GJZGRUSLSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001444134845 1098672721 /nfs/dbraw/zinc/67/27/21/1098672721.db2.gz FMPJAYOAXMRQOK-FXAWDEMLSA-N 2 0 344.503 2.025 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001479664124 1098709097 /nfs/dbraw/zinc/70/90/97/1098709097.db2.gz UFPCJMNFEWDJEX-IXDOHACOSA-N 2 0 325.472 2.001 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001444180510 1098731683 /nfs/dbraw/zinc/73/16/83/1098731683.db2.gz VVBMDPYBVAFOJM-RBSFLKMASA-N 2 0 347.425 2.298 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001479729277 1098829628 /nfs/dbraw/zinc/82/96/28/1098829628.db2.gz QBFXHYMKWKCVTK-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP CCn1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001444382727 1098967888 /nfs/dbraw/zinc/96/78/88/1098967888.db2.gz ULVBAFGKAJKNPV-SJLPKXTDSA-N 2 0 349.523 2.008 10 0 EEAERP CCc1ccc(C[NH2+]C[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001444384489 1098970664 /nfs/dbraw/zinc/97/06/64/1098970664.db2.gz FTUYBEGTRMTZEA-INIZCTEOSA-N 2 0 329.488 2.187 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001479809002 1099062619 /nfs/dbraw/zinc/06/26/19/1099062619.db2.gz AUTPCQFWIZYVQF-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001479815168 1099085122 /nfs/dbraw/zinc/08/51/22/1099085122.db2.gz AOGNDVFWBLIUFN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[N@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C2CC2)c1 ZINC001479880451 1099247734 /nfs/dbraw/zinc/24/77/34/1099247734.db2.gz SZAKAHVEUQDQPS-KRWDZBQOSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001444695521 1099549500 /nfs/dbraw/zinc/54/95/00/1099549500.db2.gz YFYVZGKUUZTVIX-GOEBONIOSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001444713853 1099575152 /nfs/dbraw/zinc/57/51/52/1099575152.db2.gz NLBRUHAFGZNZOS-PXNSSMCTSA-N 2 0 329.488 2.417 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444768410 1099666848 /nfs/dbraw/zinc/66/68/48/1099666848.db2.gz AMSNJQBGRGFHQP-IAGOWNOFSA-N 2 0 335.467 2.398 10 0 EEAERP Cc1ncccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189643 1099788651 /nfs/dbraw/zinc/78/86/51/1099788651.db2.gz QBFXMBVVMNSFJZ-RTBURBONSA-N 2 0 344.503 2.155 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001480228344 1099849953 /nfs/dbraw/zinc/84/99/53/1099849953.db2.gz VYFHVTGWJADDTL-XMTFNYHQSA-N 2 0 337.508 2.055 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001480266895 1099961829 /nfs/dbraw/zinc/96/18/29/1099961829.db2.gz AUAYYFLOXKSWKE-QZTJIDSGSA-N 2 0 344.503 2.060 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001480478003 1100284940 /nfs/dbraw/zinc/28/49/40/1100284940.db2.gz WAVBMYDJAPQZSA-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCc1cccc(F)c1 ZINC001480530015 1100359855 /nfs/dbraw/zinc/35/98/55/1100359855.db2.gz AIVCFBSQVVTVRM-OAHLLOKOSA-N 2 0 335.467 2.194 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc2ccccc2o1 ZINC001445120922 1100368966 /nfs/dbraw/zinc/36/89/66/1100368966.db2.gz SZIUJDKCGGSYCL-HUUCEWRRSA-N 2 0 344.459 2.154 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncs1)c1ccccc1 ZINC001480569429 1100413043 /nfs/dbraw/zinc/41/30/43/1100413043.db2.gz IQPZINQKERUTBE-PBHICJAKSA-N 2 0 346.500 2.430 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnoc1C)c1ccccc1 ZINC001480570200 1100414251 /nfs/dbraw/zinc/41/42/51/1100414251.db2.gz RWCKPHPEKMBKRW-RDTXWAMCSA-N 2 0 344.459 2.270 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001446414779 1100824132 /nfs/dbraw/zinc/82/41/32/1100824132.db2.gz CIZVKHAULOLIQE-ZFWWWQNUSA-N 2 0 338.521 2.261 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001446433951 1100853237 /nfs/dbraw/zinc/85/32/37/1100853237.db2.gz FGQZCANDHHZKOD-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001495203274 1100884836 /nfs/dbraw/zinc/88/48/36/1100884836.db2.gz VPOGQMHVGFXORW-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCCC2)c1 ZINC001496321795 1100916286 /nfs/dbraw/zinc/91/62/86/1100916286.db2.gz XQOZAZJNWZNMEW-IBGZPJMESA-N 2 0 346.519 2.496 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001446505983 1100956403 /nfs/dbraw/zinc/95/64/03/1100956403.db2.gz ZVPDKQCPWDUUPH-IKGGRYGDSA-N 2 0 325.472 2.142 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)[C@@H](C)C1 ZINC001496376227 1100968697 /nfs/dbraw/zinc/96/86/97/1100968697.db2.gz PNOVHMLOAYQUBC-GOEBONIOSA-N 2 0 348.491 2.219 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)no1 ZINC001496412967 1101004730 /nfs/dbraw/zinc/00/47/30/1101004730.db2.gz DLOJQTKGJOBNMC-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)on1 ZINC001496414111 1101006188 /nfs/dbraw/zinc/00/61/88/1101006188.db2.gz KMRNUFVDUWCGFW-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446547633 1101012943 /nfs/dbraw/zinc/01/29/43/1101012943.db2.gz HSIHGLDSGAPFTM-QUCCMNQESA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001446569492 1101054982 /nfs/dbraw/zinc/05/49/82/1101054982.db2.gz WXMGXBYRODQLBX-QGZVFWFLSA-N 2 0 343.462 2.488 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001495345539 1101056296 /nfs/dbraw/zinc/05/62/96/1101056296.db2.gz LDVPTRPMPBWTSB-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001496483929 1101075121 /nfs/dbraw/zinc/07/51/21/1101075121.db2.gz VSJFISYEPNITLO-KBXCAEBGSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001495374135 1101089777 /nfs/dbraw/zinc/08/97/77/1101089777.db2.gz MAGMQJQFBRXANE-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1cccs1 ZINC001496561149 1101162460 /nfs/dbraw/zinc/16/24/60/1101162460.db2.gz JMRWHNGZEMKEHN-DJIMGWMZSA-N 2 0 337.533 2.361 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2(C)CC[NH+](CCF)CC2)C1 ZINC001446651709 1101170330 /nfs/dbraw/zinc/17/03/30/1101170330.db2.gz QKOOYIYCDVBLIY-SFHVURJKSA-N 2 0 345.478 2.387 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001495482158 1101191916 /nfs/dbraw/zinc/19/19/16/1101191916.db2.gz PVYPTJXYZSBKHU-WKILWMFISA-N 2 0 336.480 2.094 10 0 EEAERP Cc1ccncc1C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496770377 1101436653 /nfs/dbraw/zinc/43/66/53/1101436653.db2.gz QYMGSCDDSRVHOR-IRXDYDNUSA-N 2 0 332.492 2.011 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496081409 1102025668 /nfs/dbraw/zinc/02/56/68/1102025668.db2.gz VHLMFIJJPLTWIF-MAUKXSAKSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001497192532 1102103357 /nfs/dbraw/zinc/10/33/57/1102103357.db2.gz FVHOQHFSJDXAJA-BPQIPLTHSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)CC[NH+](C)C ZINC001496149955 1102140950 /nfs/dbraw/zinc/14/09/50/1102140950.db2.gz PERXVQWKESOQFU-ZDUSSCGKSA-N 2 0 334.489 2.185 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497299848 1102278643 /nfs/dbraw/zinc/27/86/43/1102278643.db2.gz VFJCXYNEOVFAPQ-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497311527 1102296279 /nfs/dbraw/zinc/29/62/79/1102296279.db2.gz HWUHTOGIENXRIQ-PXNSSMCTSA-N 2 0 329.488 2.199 10 0 EEAERP CCC1([NH2+]Cc2ncc(C3CC3)o2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447428316 1102635948 /nfs/dbraw/zinc/63/59/48/1102635948.db2.gz MBBAXOAWFTVDLN-UHFFFAOYSA-N 2 0 348.491 2.365 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001447498093 1102752234 /nfs/dbraw/zinc/75/22/34/1102752234.db2.gz QLRQUYHZFUSNIW-KRWDZBQOSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497622176 1102764710 /nfs/dbraw/zinc/76/47/10/1102764710.db2.gz WIZOWEXZPLZLNG-PXPVJAHISA-N 2 0 344.503 2.272 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001497622292 1102765472 /nfs/dbraw/zinc/76/54/72/1102765472.db2.gz YSMYORDFCHFARO-SREVYHEPSA-N 2 0 344.503 2.497 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC001447545958 1102834839 /nfs/dbraw/zinc/83/48/39/1102834839.db2.gz XBOKWYJFRQGPJK-QFBILLFUSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001447631654 1103000098 /nfs/dbraw/zinc/00/00/98/1103000098.db2.gz IPEBGARGUXYLEW-DOMZBBRYSA-N 2 0 338.521 2.181 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497817006 1103144379 /nfs/dbraw/zinc/14/43/79/1103144379.db2.gz KSYUXGCNICFCHQ-VQIMIIECSA-N 2 0 329.488 2.240 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]C/C(Cl)=C\Cl)C2)CC1 ZINC001447803966 1103365933 /nfs/dbraw/zinc/36/59/33/1103365933.db2.gz ITDYRNJTJPGVKX-MDWZMJQESA-N 2 0 334.291 2.132 10 0 EEAERP C[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001494046286 1103421906 /nfs/dbraw/zinc/42/19/06/1103421906.db2.gz BSVVKJSSZHXFQK-MRXNPFEDSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001447895050 1103538454 /nfs/dbraw/zinc/53/84/54/1103538454.db2.gz GENBJGQYODEGFX-HUUCEWRRSA-N 2 0 334.508 2.448 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001447908191 1103570673 /nfs/dbraw/zinc/57/06/73/1103570673.db2.gz SMTRSXAMWDEIFU-VXGBXAGGSA-N 2 0 326.510 2.085 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001447925954 1103613985 /nfs/dbraw/zinc/61/39/85/1103613985.db2.gz AJKTWLRLPOWIJI-STQMWFEESA-N 2 0 341.883 2.369 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)c1C ZINC001447934920 1103636644 /nfs/dbraw/zinc/63/66/44/1103636644.db2.gz KJBJHRLKCOXVHS-HZPDHXFCSA-N 2 0 333.476 2.082 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001448040263 1103870732 /nfs/dbraw/zinc/87/07/32/1103870732.db2.gz JYGNXOQIMJVPFQ-CYBMUJFWSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1ccc(C)c(OCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001448141645 1104093167 /nfs/dbraw/zinc/09/31/67/1104093167.db2.gz ARLCQIXUBSYXEP-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001494615578 1104199796 /nfs/dbraw/zinc/19/97/96/1104199796.db2.gz UPEDQMCPBZELSJ-KRWDZBQOSA-N 2 0 341.499 2.065 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]Cc2cc(C)no2)C1 ZINC001495042495 1104682078 /nfs/dbraw/zinc/68/20/78/1104682078.db2.gz TWUPOADOWDWCHX-CVEARBPZSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cnc(C)nc1 ZINC001495068460 1104708309 /nfs/dbraw/zinc/70/83/09/1104708309.db2.gz DSOBGNFAAWENKD-MSOLQXFVSA-N 2 0 347.507 2.032 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(C)nc1C ZINC001495071664 1104711489 /nfs/dbraw/zinc/71/14/89/1104711489.db2.gz HHTJVPJXQDMZAW-GUYCJALGSA-N 2 0 343.475 2.285 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC001450235856 1105308713 /nfs/dbraw/zinc/30/87/13/1105308713.db2.gz JJTLZLQVSMRUGL-HXUWFJFHSA-N 2 0 329.488 2.349 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001480625018 1106787162 /nfs/dbraw/zinc/78/71/62/1106787162.db2.gz VRJRCTUGKAPVIO-SFHVURJKSA-N 2 0 330.476 2.038 10 0 EEAERP CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001480723104 1106971341 /nfs/dbraw/zinc/97/13/41/1106971341.db2.gz BADPTYBQFSSDEJ-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC[C@H]1CCCCO1 ZINC001480798687 1107136993 /nfs/dbraw/zinc/13/69/93/1107136993.db2.gz JIDGFNYGQXDBIZ-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@H+](CCCc1c(F)cccc1F)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849076 1107258935 /nfs/dbraw/zinc/25/89/35/1107258935.db2.gz MEVWJUMUPXIKEO-KRWDZBQOSA-N 2 0 339.430 2.040 10 0 EEAERP CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1cncc(F)c1 ZINC001493023946 1107325052 /nfs/dbraw/zinc/32/50/52/1107325052.db2.gz YUJOGYYUFPMACS-UHFFFAOYSA-N 2 0 338.471 2.137 10 0 EEAERP Cc1ccc(CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001498457503 1107568588 /nfs/dbraw/zinc/56/85/88/1107568588.db2.gz NVTOWYWUVWYPCK-GOSISDBHSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001498490594 1107626136 /nfs/dbraw/zinc/62/61/36/1107626136.db2.gz OLYBFSMSTWIWPI-DOTOQJQBSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001498561306 1107723477 /nfs/dbraw/zinc/72/34/77/1107723477.db2.gz ZWEGDTQASVUNGM-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001493694051 1108521297 /nfs/dbraw/zinc/52/12/97/1108521297.db2.gz AWSBFNCDNKUXJQ-QGZVFWFLSA-N 2 0 347.503 2.364 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cncs1)c1ccccc1 ZINC001493758907 1108632438 /nfs/dbraw/zinc/63/24/38/1108632438.db2.gz BGRAHAOKAYFDJK-QGZVFWFLSA-N 2 0 346.500 2.384 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001465695494 1110422098 /nfs/dbraw/zinc/42/20/98/1110422098.db2.gz ZHLLZZIBAJSCQE-CQSZACIVSA-N 2 0 327.469 2.072 10 0 EEAERP CC1CCC(C[NH+]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001472959454 1110568584 /nfs/dbraw/zinc/56/85/84/1110568584.db2.gz QEOSNHHKZNUBTO-TVPLGVNVSA-N 2 0 333.520 2.299 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC[C@@H]1CCCC1(F)F ZINC001499131943 1112140888 /nfs/dbraw/zinc/14/08/88/1112140888.db2.gz MUGMCFJFKCTKIU-LSDHHAIUSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@@H]3CC3(Cl)Cl)CC2)CC[N@@H+]1C ZINC001499231031 1112190544 /nfs/dbraw/zinc/19/05/44/1112190544.db2.gz RRQLIVNCURNOMS-JHJVBQTASA-N 2 0 348.318 2.149 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC001499458153 1112295408 /nfs/dbraw/zinc/29/54/08/1112295408.db2.gz ASMQFDVQBDSRCK-KRWDZBQOSA-N 2 0 343.515 2.370 10 0 EEAERP CO[C@@H](C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001499997575 1112571324 /nfs/dbraw/zinc/57/13/24/1112571324.db2.gz KXTJHZBHAJPYEH-SFHVURJKSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001500457226 1112846877 /nfs/dbraw/zinc/84/68/77/1112846877.db2.gz FKNRZZQYRYXEHI-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCOCC2)C1 ZINC001500586603 1112957736 /nfs/dbraw/zinc/95/77/36/1112957736.db2.gz BPKUYEZRLHIWRS-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC001501427715 1113355233 /nfs/dbraw/zinc/35/52/33/1113355233.db2.gz YTXUXUOBWVHIGE-RBUKOAKNSA-N 2 0 344.503 2.236 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001501574456 1113387724 /nfs/dbraw/zinc/38/77/24/1113387724.db2.gz NIHRMNFMARABGR-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001501578781 1113388922 /nfs/dbraw/zinc/38/89/22/1113388922.db2.gz OWHSCVIGCGVUHC-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001502246637 1113632540 /nfs/dbraw/zinc/63/25/40/1113632540.db2.gz YWXSNGNCBOERPE-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nc(C[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)cs1 ZINC001502795432 1113802773 /nfs/dbraw/zinc/80/27/73/1113802773.db2.gz LPBAXGGPTDJATN-UHFFFAOYSA-N 2 0 338.521 2.128 10 0 EEAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001505710989 1114145066 /nfs/dbraw/zinc/14/50/66/1114145066.db2.gz XSXDSIQOEDFINN-HZPDHXFCSA-N 2 0 347.503 2.271 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC(F)(F)CC1 ZINC001505887436 1114254951 /nfs/dbraw/zinc/25/49/51/1114254951.db2.gz QFCYBMNIYFKTMI-HIFRSBDPSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1oncc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001506850739 1114913644 /nfs/dbraw/zinc/91/36/44/1114913644.db2.gz ANFKVDZMYQTPDX-LZLYRXPVSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC001506856065 1114920996 /nfs/dbraw/zinc/92/09/96/1114920996.db2.gz NZFUUGGDERHYCQ-RYQLBKOJSA-N 2 0 347.478 2.494 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@@H](C)F)C2)C1 ZINC001506892342 1114954660 /nfs/dbraw/zinc/95/46/60/1114954660.db2.gz SAYCVEKMNGANIL-QBPKDAKJSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001506895325 1114956785 /nfs/dbraw/zinc/95/67/85/1114956785.db2.gz ZZUHIUDROVKDBD-IYARVYRRSA-N 2 0 329.488 2.321 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1coc(C)n1 ZINC001506951877 1115000062 /nfs/dbraw/zinc/00/00/62/1115000062.db2.gz XAESFTRRTGOZCF-YOEHRIQHSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C1CC1 ZINC001507155389 1115137920 /nfs/dbraw/zinc/13/79/20/1115137920.db2.gz RYNMZRDULPTZQQ-MAUKXSAKSA-N 2 0 329.488 2.452 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001507298450 1115180592 /nfs/dbraw/zinc/18/05/92/1115180592.db2.gz PWGQVLZWVSTFER-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3coc(C)n3)[C@@H]2C1 ZINC001507361461 1115221740 /nfs/dbraw/zinc/22/17/40/1115221740.db2.gz BNKDEDACNHDGJB-JQHSSLGASA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001507412290 1115256887 /nfs/dbraw/zinc/25/68/87/1115256887.db2.gz VGYWNUMAHPAQRK-GJZGRUSLSA-N 2 0 336.480 2.124 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCCCO1)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001507833594 1115355623 /nfs/dbraw/zinc/35/56/23/1115355623.db2.gz CHIATOXIYRUUMS-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCC(F)(F)F)NC(=O)CCc1c[nH]cn1 ZINC001507952203 1115379379 /nfs/dbraw/zinc/37/93/79/1115379379.db2.gz OXLHSZIBESGYDN-LBPRGKRZSA-N 2 0 334.386 2.415 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001508141481 1115426736 /nfs/dbraw/zinc/42/67/36/1115426736.db2.gz POWWOZPYQQIVPO-YVMONPNESA-N 2 0 339.483 2.375 10 0 EEAERP CC(C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001541368940 1124104524 /nfs/dbraw/zinc/10/45/24/1124104524.db2.gz XEDBWVXAPHCSGA-JKSUJKDBSA-N 2 0 334.512 2.026 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001568077055 1124282317 /nfs/dbraw/zinc/28/23/17/1124282317.db2.gz VNFHSZFTUTUSOU-MRXNPFEDSA-N 2 0 348.466 2.035 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)on1 ZINC001568368957 1124441510 /nfs/dbraw/zinc/44/15/10/1124441510.db2.gz HRXHZQKNYSPMSQ-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001568533697 1124596001 /nfs/dbraw/zinc/59/60/01/1124596001.db2.gz VDJKNNNFHRHUCG-FUHWJXTLSA-N 2 0 335.467 2.248 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001568633323 1124648282 /nfs/dbraw/zinc/64/82/82/1124648282.db2.gz CJXHZHVYVCLRBT-UMVBOHGHSA-N 2 0 338.521 2.030 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1F)NC(=O)CC[NH+](C)C ZINC001568672647 1124686184 /nfs/dbraw/zinc/68/61/84/1124686184.db2.gz PYGVLIGUHQJZJX-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743134 1124756727 /nfs/dbraw/zinc/75/67/27/1124756727.db2.gz CGQQMGMLSMSXAP-PVDJYUQQSA-N 2 0 329.488 2.478 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568788430 1124800703 /nfs/dbraw/zinc/80/07/03/1124800703.db2.gz MAWJWOYVUCGCPO-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCc1cccc(F)c1 ZINC001568827219 1124845459 /nfs/dbraw/zinc/84/54/59/1124845459.db2.gz KYGMFAMTMZPPPD-KVLZDYKBSA-N 2 0 333.451 2.115 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568866363 1124891899 /nfs/dbraw/zinc/89/18/99/1124891899.db2.gz SGHKADYVBYOYPG-JXCVUKRWSA-N 2 0 330.476 2.026 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001568898091 1124926360 /nfs/dbraw/zinc/92/63/60/1124926360.db2.gz IJWJXGVBSGBNJL-SRXMEYSWSA-N 2 0 341.499 2.463 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568993924 1125026521 /nfs/dbraw/zinc/02/65/21/1125026521.db2.gz ZGVDWMSTUXGSDA-GPMSIDNRSA-N 2 0 331.504 2.226 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569022182 1125047890 /nfs/dbraw/zinc/04/78/90/1125047890.db2.gz ALFFCIKLRMWBDS-MSOLQXFVSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569075935 1125082194 /nfs/dbraw/zinc/08/21/94/1125082194.db2.gz KALTXDRIVDFDLD-YDHLFZDLSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001569203521 1125162092 /nfs/dbraw/zinc/16/20/92/1125162092.db2.gz WMGKGOUVLOJKSI-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(Cl)s1)C(=O)C1CC[NH+](C)CC1 ZINC001569235890 1125185164 /nfs/dbraw/zinc/18/51/64/1125185164.db2.gz HBEXFPYVMCTQJD-UHFFFAOYSA-N 2 0 344.912 2.076 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001569256634 1125198936 /nfs/dbraw/zinc/19/89/36/1125198936.db2.gz DSAOVRRYEHJKLL-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP c1cc(CN2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166015408 539542810 /nfs/dbraw/zinc/54/28/10/539542810.db2.gz ZLZOFTYRPXGQDD-VQTJNVASSA-N 2 0 329.488 2.235 10 0 EEAERP COc1c(C)cnc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000072267444 216087248 /nfs/dbraw/zinc/08/72/48/216087248.db2.gz SLBFYSGSYQSJAE-HNNXBMFYSA-N 2 0 335.492 2.232 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nc(C)cs2)CC[NH2+]CC1 ZINC000422705828 240183486 /nfs/dbraw/zinc/18/34/86/240183486.db2.gz SHEDDBHPLUODMS-STQMWFEESA-N 2 0 325.478 2.424 10 0 EEAERP Fc1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000422820341 240244963 /nfs/dbraw/zinc/24/49/63/240244963.db2.gz PZMWKAINRJSERB-FVQBIDKESA-N 2 0 326.387 2.090 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024352 240330957 /nfs/dbraw/zinc/33/09/57/240330957.db2.gz LNYCBKMTPJHQNP-CHWSQXEVSA-N 2 0 329.847 2.401 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000247158083 243382553 /nfs/dbraw/zinc/38/25/53/243382553.db2.gz KGXFVYAZJNOXEY-FHLIZLRMSA-N 2 0 348.466 2.307 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000078682363 217102391 /nfs/dbraw/zinc/10/23/91/217102391.db2.gz ULTXDXMXLPAGBW-DLBZAZTESA-N 2 0 346.519 2.463 10 0 EEAERP CSC1(C[NH2+]Cc2cnnn2Cc2ccccc2)CC[NH+](C)CC1 ZINC000491590608 246080395 /nfs/dbraw/zinc/08/03/95/246080395.db2.gz BQQKNNGMBBBWKJ-UHFFFAOYSA-N 2 0 345.516 2.243 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000276054604 256398813 /nfs/dbraw/zinc/39/88/13/256398813.db2.gz AQDRJPIHIGRVCX-APWZRJJASA-N 2 0 346.519 2.415 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)CC(C)C ZINC000173687887 152188471 /nfs/dbraw/zinc/18/84/71/152188471.db2.gz FEBRRDBWRGAGHN-ZWKOTPCHSA-N 2 0 336.524 2.399 10 0 EEAERP C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCC1 ZINC000127961790 292333517 /nfs/dbraw/zinc/33/35/17/292333517.db2.gz WMWCXIWGJDRMBI-HKUYNNGSSA-N 2 0 346.519 2.190 10 0 EEAERP CC[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066960918 159005560 /nfs/dbraw/zinc/00/55/60/159005560.db2.gz HUUMNKYNRAFTQS-UHFFFAOYSA-N 2 0 329.488 2.294 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000078541277 159120535 /nfs/dbraw/zinc/12/05/35/159120535.db2.gz BENLGRSUUMOPAV-AEFFLSMTSA-N 2 0 334.508 2.189 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341758139 161011145 /nfs/dbraw/zinc/01/11/45/161011145.db2.gz NMLWICBBPOCPCH-ZBFHGGJFSA-N 2 0 327.538 2.050 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000365725818 165584048 /nfs/dbraw/zinc/58/40/48/165584048.db2.gz PZRCKEIOUMKRCX-UHFFFAOYSA-N 2 0 341.565 2.396 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCN(C(N)=O)CC1 ZINC000124691490 222465239 /nfs/dbraw/zinc/46/52/39/222465239.db2.gz YMXVLCMGTYSSBX-HZPDHXFCSA-N 2 0 344.503 2.276 10 0 EEAERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274908597 269072961 /nfs/dbraw/zinc/07/29/61/269072961.db2.gz MOSJNUYQCQCKIE-CEWLAPEOSA-N 2 0 345.531 2.333 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000194179664 274067780 /nfs/dbraw/zinc/06/77/80/274067780.db2.gz KMVJXZCFHOEBRR-SFHVURJKSA-N 2 0 332.492 2.244 10 0 EEAERP Cc1ccc(O)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)n1 ZINC000288585933 275072826 /nfs/dbraw/zinc/07/28/26/275072826.db2.gz OGAYGPWTNIWGOM-UHFFFAOYSA-N 2 0 330.432 2.111 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000291546867 275316227 /nfs/dbraw/zinc/31/62/27/275316227.db2.gz WCWWGYBPRVYVMI-UHFFFAOYSA-N 2 0 344.503 2.499 10 0 EEAERP CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262424326 276061968 /nfs/dbraw/zinc/06/19/68/276061968.db2.gz SDIRVXLGYLHMFT-BHIYHBOVSA-N 2 0 345.487 2.049 10 0 EEAERP CN(C)c1ncccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860513 276905712 /nfs/dbraw/zinc/90/57/12/276905712.db2.gz LKCHIACHRGXEKA-FXAWDEMLSA-N 2 0 338.455 2.493 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C12CCC2 ZINC000347233104 279819536 /nfs/dbraw/zinc/81/95/36/279819536.db2.gz QCZPMZBWSJBYHN-GVDBMIGSSA-N 2 0 339.524 2.016 10 0 EEAERP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)C(F)F ZINC000423153482 280963826 /nfs/dbraw/zinc/96/38/26/280963826.db2.gz GSNOUBIZSGOYPE-TZDHZFECSA-N 2 0 326.387 2.237 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000281182935 292739352 /nfs/dbraw/zinc/73/93/52/292739352.db2.gz LXJLOOJWVGPJPB-LJQANCHMSA-N 2 0 346.519 2.287 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1cccs1 ZINC000296947785 294110259 /nfs/dbraw/zinc/11/02/59/294110259.db2.gz AEMXMZNERLGCRX-HNNXBMFYSA-N 2 0 343.456 2.498 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000423371706 303117297 /nfs/dbraw/zinc/11/72/97/303117297.db2.gz ARLPXKJRSPODIL-QXSJWSMHSA-N 2 0 349.441 2.007 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414733621 313071866 /nfs/dbraw/zinc/07/18/66/313071866.db2.gz CTTAXTCZCKPSAE-KBPBESRZSA-N 2 0 337.430 2.483 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(F)(c3ccccc3)CC2)C1 ZINC000414759646 313078453 /nfs/dbraw/zinc/07/84/53/313078453.db2.gz WPLDSPPAKNJNIQ-MRXNPFEDSA-N 2 0 333.451 2.145 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000414894687 313108872 /nfs/dbraw/zinc/10/88/72/313108872.db2.gz ZVUOVECDWSAICO-IBGZPJMESA-N 2 0 346.475 2.234 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000416819429 313324950 /nfs/dbraw/zinc/32/49/50/313324950.db2.gz SHHPRDFSTSNVPT-OWCLPIDISA-N 2 0 334.464 2.104 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[NH2+]CC1 ZINC000416901081 313354929 /nfs/dbraw/zinc/35/49/29/313354929.db2.gz JSONVOUZRFTMGX-UHFFFAOYSA-N 2 0 330.476 2.177 10 0 EEAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417256944 313465837 /nfs/dbraw/zinc/46/58/37/313465837.db2.gz SXMBYXWBPWUSBL-XXFAHNLHSA-N 2 0 336.524 2.277 10 0 EEAERP CCC1(CNC(=O)NCC[NH2+]C)CC[NH+](Cc2ccccc2)CC1 ZINC000417935083 313656774 /nfs/dbraw/zinc/65/67/74/313656774.db2.gz ZGTNMAUNBWLXTD-UHFFFAOYSA-N 2 0 332.492 2.197 10 0 EEAERP O=C(NCCC[NH2+]C1CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418304799 313777951 /nfs/dbraw/zinc/77/79/51/313777951.db2.gz WQNXRMOAFZTJQU-QGZVFWFLSA-N 2 0 336.524 2.426 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440341292 315124245 /nfs/dbraw/zinc/12/42/45/315124245.db2.gz PNGWGJYKMMLRIP-UHFFFAOYSA-N 2 0 345.516 2.321 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000449092380 315415789 /nfs/dbraw/zinc/41/57/89/315415789.db2.gz LRJHNQZUCQGDJC-WIYYLYMNSA-N 2 0 345.531 2.128 10 0 EEAERP COc1cc2c(cc1C[NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530249305 317704803 /nfs/dbraw/zinc/70/48/03/317704803.db2.gz UYIOOHWQKBPLLU-MRXNPFEDSA-N 2 0 348.443 2.014 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000564859189 319119014 /nfs/dbraw/zinc/11/90/14/319119014.db2.gz DYTFIHJGHXMNKA-OAQYLSRUSA-N 2 0 345.531 2.432 10 0 EEAERP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000564951308 319131863 /nfs/dbraw/zinc/13/18/63/319131863.db2.gz KGJYIWMMSRDNPP-UHFFFAOYSA-N 2 0 327.472 2.253 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CCC[NH2+]C1 ZINC000573904440 319976597 /nfs/dbraw/zinc/97/65/97/319976597.db2.gz CDPMIHXCTFBJHS-SFHVURJKSA-N 2 0 330.476 2.224 10 0 EEAERP CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000574762900 320054941 /nfs/dbraw/zinc/05/49/41/320054941.db2.gz AHRPEOALOYLLMU-RTBURBONSA-N 2 0 330.472 2.084 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000181831396 323357247 /nfs/dbraw/zinc/35/72/47/323357247.db2.gz VOLLKTUPAKPCKH-OAHLLOKOSA-N 2 0 328.497 2.133 10 0 EEAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000580429189 324061027 /nfs/dbraw/zinc/06/10/27/324061027.db2.gz VXTWJACCRBNWHB-HNNXBMFYSA-N 2 0 339.443 2.335 10 0 EEAERP COc1nccnc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000296466300 465204272 /nfs/dbraw/zinc/20/42/72/465204272.db2.gz PCNVJTBUPFLCEX-UHFFFAOYSA-N 2 0 326.444 2.487 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115845373 462731692 /nfs/dbraw/zinc/73/16/92/462731692.db2.gz NJOZHYXBKKPTHQ-WMLDXEAASA-N 2 0 348.466 2.265 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778371 463251331 /nfs/dbraw/zinc/25/13/31/463251331.db2.gz JFSUDZBZELXWBL-HKUYNNGSSA-N 2 0 340.471 2.039 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3n2C)CC1 ZINC000069706237 463307904 /nfs/dbraw/zinc/30/79/04/463307904.db2.gz YWEZAYQHRQHOLV-OAHLLOKOSA-N 2 0 330.476 2.098 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151237 463485713 /nfs/dbraw/zinc/48/57/13/463485713.db2.gz FHKHYSKGDIDODY-SFTDATJTSA-N 2 0 345.531 2.430 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185263952 463789988 /nfs/dbraw/zinc/78/99/88/463789988.db2.gz IWGREMAZKCKZDJ-UHFFFAOYSA-N 2 0 332.492 2.376 10 0 EEAERP C[NH2+][C@@H](C)Cc1noc(-c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000261679693 463824586 /nfs/dbraw/zinc/82/45/86/463824586.db2.gz GSXKHBUXDGGZTB-HNNXBMFYSA-N 2 0 343.475 2.417 10 0 EEAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261886619 463888490 /nfs/dbraw/zinc/88/84/90/463888490.db2.gz FYGKNHJDMPUJQD-XUVXKRRUSA-N 2 0 331.504 2.385 10 0 EEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000262149733 463959116 /nfs/dbraw/zinc/95/91/16/463959116.db2.gz RMSFGJKHPPMKIP-QILLFSRXSA-N 2 0 345.487 2.464 10 0 EEAERP CC(=O)c1cccc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178750355 463962559 /nfs/dbraw/zinc/96/25/59/463962559.db2.gz GKSXMHPFPNICIL-GOSISDBHSA-N 2 0 340.427 2.497 10 0 EEAERP Cc1ccc(N2CCC(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)CC2)nc1 ZINC000172058169 463979354 /nfs/dbraw/zinc/97/93/54/463979354.db2.gz ALYBFEMSRSXYST-WMZOPIPTSA-N 2 0 342.487 2.302 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000262661059 464037152 /nfs/dbraw/zinc/03/71/52/464037152.db2.gz GJWGACQRHBGNMY-NZSAHSFTSA-N 2 0 329.488 2.457 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000262924538 464051516 /nfs/dbraw/zinc/05/15/16/464051516.db2.gz LKBWJSJFCWMWMK-ARFHVFGLSA-N 2 0 333.501 2.346 10 0 EEAERP Cc1cccn2c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cnc12 ZINC000179516832 464151053 /nfs/dbraw/zinc/15/10/53/464151053.db2.gz NBVPZBPHSJOBEW-MRXNPFEDSA-N 2 0 330.476 2.167 10 0 EEAERP COC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000187789170 464163155 /nfs/dbraw/zinc/16/31/55/464163155.db2.gz CEFYFVNNRNFGAE-IBGZPJMESA-N 2 0 336.476 2.158 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000270245526 464231456 /nfs/dbraw/zinc/23/14/56/464231456.db2.gz DKIMGZXGALSWPI-XWSJACJDSA-N 2 0 342.487 2.358 10 0 EEAERP COc1ccc([C@H]2[C@@H](CNC(=O)C3CC[NH2+]CC3)CCC[N@@H+]2C)cc1 ZINC000237380303 464311325 /nfs/dbraw/zinc/31/13/25/464311325.db2.gz FDFHIIMQVFKPLH-MJGOQNOKSA-N 2 0 345.487 2.194 10 0 EEAERP C[C@@H](c1nc(C2CC2)no1)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000174885786 464462333 /nfs/dbraw/zinc/46/23/33/464462333.db2.gz ZVMHIBAGIVIGLW-HOCLYGCPSA-N 2 0 333.480 2.110 10 0 EEAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245649061 464501563 /nfs/dbraw/zinc/50/15/63/464501563.db2.gz MJARVHTWWNNDEU-MSOLQXFVSA-N 2 0 332.492 2.463 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246433445 464583915 /nfs/dbraw/zinc/58/39/15/464583915.db2.gz MWSJWIRJNPIMAP-PKOBYXMFSA-N 2 0 346.519 2.490 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](CC)C3)cc2)CC1 ZINC000175607689 464585034 /nfs/dbraw/zinc/58/50/34/464585034.db2.gz FIEPNXGFHGFIAB-SFHVURJKSA-N 2 0 344.503 2.043 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247595467 464697544 /nfs/dbraw/zinc/69/75/44/464697544.db2.gz SEGHOYQZRVRGJC-RBUKOAKNSA-N 2 0 342.487 2.313 10 0 EEAERP COC(=O)[C@@H]1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000286097310 464801619 /nfs/dbraw/zinc/80/16/19/464801619.db2.gz UPEPWRSATQJJBC-GOSISDBHSA-N 2 0 345.487 2.084 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000176690930 464826638 /nfs/dbraw/zinc/82/66/38/464826638.db2.gz UGEQUVRZAMRKHB-AEFFLSMTSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249685405 464903093 /nfs/dbraw/zinc/90/30/93/464903093.db2.gz GHRQIHUTSDIGJZ-PKOBYXMFSA-N 2 0 346.519 2.190 10 0 EEAERP C[NH+]1CCN(c2cc(N3CCOCC3)c3cc(Cl)ccc3[nH+]2)CC1 ZINC000253495195 465017358 /nfs/dbraw/zinc/01/73/58/465017358.db2.gz IBSZRCHXVCRIDS-UHFFFAOYSA-N 2 0 346.862 2.477 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000347945245 465327575 /nfs/dbraw/zinc/32/75/75/465327575.db2.gz JOLXWOWFFFBJEN-PMACEKPBSA-N 2 0 341.499 2.451 10 0 EEAERP Cn1cc(-c2cc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)on2)cn1 ZINC000366868612 465984715 /nfs/dbraw/zinc/98/47/15/465984715.db2.gz YVAGQMZDDKWADD-UHFFFAOYSA-N 2 0 329.448 2.383 10 0 EEAERP C[C@@H](CCNC(=O)N1CC[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000367415197 466322745 /nfs/dbraw/zinc/32/27/45/466322745.db2.gz LCMCAHADZQYLSX-KRWDZBQOSA-N 2 0 344.503 2.387 10 0 EEAERP CN(C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361847913 466345306 /nfs/dbraw/zinc/34/53/06/466345306.db2.gz FYJPNCUMHOGJIL-GOSISDBHSA-N 2 0 348.466 2.136 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)C(=O)NCC[NH+](C)C ZINC000347197764 466467882 /nfs/dbraw/zinc/46/78/82/466467882.db2.gz BGVDESUXLPSTGL-RDJZCZTQSA-N 2 0 337.512 2.207 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310100032 466511087 /nfs/dbraw/zinc/51/10/87/466511087.db2.gz BBNNKFPTSVRVGE-IYWMVGAKSA-N 3 0 331.504 2.241 10 0 EEAERP COc1ccc([C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423468407 466753902 /nfs/dbraw/zinc/75/39/02/466753902.db2.gz BXAOMUAXVRFGGY-XHSDSOJGSA-N 2 0 325.403 2.075 10 0 EEAERP C[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000365432716 466816522 /nfs/dbraw/zinc/81/65/22/466816522.db2.gz USJATQKXFJCZLA-MRLCAUJQSA-N 2 0 336.524 2.423 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373499113 466823536 /nfs/dbraw/zinc/82/35/36/466823536.db2.gz VEZGDBICUSTLTE-UMQBVGHOSA-N 2 0 334.508 2.272 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000417314168 466831408 /nfs/dbraw/zinc/83/14/08/466831408.db2.gz QTZWQJIBYPEOLL-QZTJIDSGSA-N 2 0 330.476 2.134 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000417386477 466847383 /nfs/dbraw/zinc/84/73/83/466847383.db2.gz FVVGQUGRRRCUDJ-UHFFFAOYSA-N 2 0 336.524 2.284 10 0 EEAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417665367 466903688 /nfs/dbraw/zinc/90/36/88/466903688.db2.gz YPIJJURCNZOLBH-MRXNPFEDSA-N 2 0 336.455 2.171 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417698899 466911677 /nfs/dbraw/zinc/91/16/77/466911677.db2.gz FBHCKBHFIITQRY-IBGZPJMESA-N 2 0 336.524 2.428 10 0 EEAERP [NH3+][C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792486 466936667 /nfs/dbraw/zinc/93/66/67/466936667.db2.gz KOAOOJFNTUHWFS-ZWKOTPCHSA-N 2 0 330.476 2.250 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365897161 466981779 /nfs/dbraw/zinc/98/17/79/466981779.db2.gz VORBTFDIPMCLHL-RLFYNMQTSA-N 2 0 327.488 2.388 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417942482 466995878 /nfs/dbraw/zinc/99/58/78/466995878.db2.gz OAPKDYPKGSMWLO-NSHGMRRFSA-N 2 0 342.487 2.217 10 0 EEAERP [NH3+][C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418452318 467113031 /nfs/dbraw/zinc/11/30/31/467113031.db2.gz NTXNDFJAWNSSKX-SFHVURJKSA-N 2 0 330.476 2.204 10 0 EEAERP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418467687 467115168 /nfs/dbraw/zinc/11/51/68/467115168.db2.gz OVHIFIPZOKEZRA-ROUUACIJSA-N 2 0 332.492 2.420 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418772717 467157899 /nfs/dbraw/zinc/15/78/99/467157899.db2.gz STJQKLRPBQFQMZ-UHFFFAOYSA-N 2 0 348.535 2.267 10 0 EEAERP O=C1NCCC[C@@H]1[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167091 467300521 /nfs/dbraw/zinc/30/05/21/467300521.db2.gz HRCVLRBENVKMEE-SFHVURJKSA-N 2 0 327.472 2.253 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000382739704 467378440 /nfs/dbraw/zinc/37/84/40/467378440.db2.gz LSDCARABSBNNBS-RTBURBONSA-N 2 0 329.488 2.357 10 0 EEAERP COC(=O)c1cccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420413123 467400044 /nfs/dbraw/zinc/40/00/44/467400044.db2.gz ZTAVZEZYFRTSTD-AEFFLSMTSA-N 2 0 332.444 2.316 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414750049 467434118 /nfs/dbraw/zinc/43/41/18/467434118.db2.gz XGCKXQQSGNYBHJ-RRFJBIMHSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000398095278 467446851 /nfs/dbraw/zinc/44/68/51/467446851.db2.gz XKRFKEKWPALEDO-YSHGAJCASA-N 2 0 329.488 2.388 10 0 EEAERP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404427888 467474443 /nfs/dbraw/zinc/47/44/43/467474443.db2.gz MWDDNBOPBQCAMV-YZLZLFLDSA-N 2 0 329.488 2.496 10 0 EEAERP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)CCN2)cc1 ZINC000415056278 467477214 /nfs/dbraw/zinc/47/72/14/467477214.db2.gz PRFQPDCMUZMZDS-KWJLTHHISA-N 3 0 342.531 2.286 10 0 EEAERP Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(-c2ccc(F)cc2)n1 ZINC000449081741 467617072 /nfs/dbraw/zinc/61/70/72/467617072.db2.gz HPHXHWBZGLXUHQ-UHFFFAOYSA-N 2 0 346.450 2.428 10 0 EEAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)c(F)c1 ZINC000530221193 467965084 /nfs/dbraw/zinc/96/50/84/467965084.db2.gz OHALSYLHIUWZEC-TXEJJXNPSA-N 2 0 325.815 2.349 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000515387062 467989766 /nfs/dbraw/zinc/98/97/66/467989766.db2.gz YFTCAWUVHXHQPJ-HXUWFJFHSA-N 2 0 329.488 2.499 10 0 EEAERP Cn1ncc(Br)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000494999560 468081760 /nfs/dbraw/zinc/08/17/60/468081760.db2.gz UXZDPAIFWNZZMU-DGCLKSJQSA-N 2 0 327.270 2.099 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000570617970 468665911 /nfs/dbraw/zinc/66/59/11/468665911.db2.gz FJMDHXDVXMGGLX-OGWHTMIXSA-N 2 0 344.503 2.194 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000592426334 468695313 /nfs/dbraw/zinc/69/53/13/468695313.db2.gz WHMGWYWKFJGYCO-FUHWJXTLSA-N 2 0 332.444 2.202 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584468601 468878938 /nfs/dbraw/zinc/87/89/38/468878938.db2.gz ZOCDWBDPQSHBGR-TVPLGVNVSA-N 2 0 342.487 2.271 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572499517 468942426 /nfs/dbraw/zinc/94/24/26/468942426.db2.gz FWLJCJYAMIRPLM-QZTJIDSGSA-N 2 0 328.460 2.041 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCCC[C@@H]1C ZINC000573566139 469163190 /nfs/dbraw/zinc/16/31/90/469163190.db2.gz QFZOARVELHOZKH-GJZGRUSLSA-N 2 0 329.448 2.396 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000615182552 469173306 /nfs/dbraw/zinc/17/33/06/469173306.db2.gz KMVRCICYOHMFHD-UFYCRDLUSA-N 2 0 341.499 2.104 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)o1 ZINC000615265555 469196592 /nfs/dbraw/zinc/19/65/92/469196592.db2.gz OZYBQSILRBRZQL-IRXDYDNUSA-N 2 0 349.475 2.057 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)CC[NH2+]CC1 ZINC000596650422 469322190 /nfs/dbraw/zinc/32/21/90/469322190.db2.gz IDLNJULFJGQEKP-CXAGYDPISA-N 2 0 331.460 2.167 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000618552448 469387232 /nfs/dbraw/zinc/38/72/32/469387232.db2.gz ZWNRHVMJFDWANU-GOSISDBHSA-N 2 0 332.492 2.422 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000629530630 469573340 /nfs/dbraw/zinc/57/33/40/469573340.db2.gz MCPRYQGDHPJOOG-LLVKDONJSA-N 2 0 333.245 2.345 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)CC1(C)C ZINC000623526212 469684891 /nfs/dbraw/zinc/68/48/91/469684891.db2.gz RMXKDDQGYLTOGO-CYBMUJFWSA-N 2 0 329.286 2.498 10 0 EEAERP C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+](C)Cc1ccccc1 ZINC000626974180 469773877 /nfs/dbraw/zinc/77/38/77/469773877.db2.gz BMJTUZGADAUSDA-FFZOFVMBSA-N 2 0 344.503 2.148 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000620966137 469962336 /nfs/dbraw/zinc/96/23/36/469962336.db2.gz AWDYBCZZIDFWLT-MOPGFXCFSA-N 2 0 347.503 2.249 10 0 EEAERP CN(CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc[nH+]cc1 ZINC000621107572 469990331 /nfs/dbraw/zinc/99/03/31/469990331.db2.gz IRCSEGFZVFDOPC-KRWDZBQOSA-N 2 0 330.476 2.146 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625567854 470164478 /nfs/dbraw/zinc/16/44/78/470164478.db2.gz XQDMYLPXHOWODB-HSALFYBXSA-N 2 0 341.499 2.355 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000649342741 470552363 /nfs/dbraw/zinc/55/23/63/470552363.db2.gz MHZLUOQJDJSBID-MSOLQXFVSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000646850196 470754762 /nfs/dbraw/zinc/75/47/62/470754762.db2.gz WVPRGKOWFGFHJE-MSOLQXFVSA-N 2 0 329.488 2.451 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000647631077 470943255 /nfs/dbraw/zinc/94/32/55/470943255.db2.gz FFPNGLBKOKHPMR-BZSNNMDCSA-N 2 0 337.483 2.428 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638098013 470963390 /nfs/dbraw/zinc/96/33/90/470963390.db2.gz CNDRLWLOUDFQIT-LJQANCHMSA-N 2 0 327.472 2.405 10 0 EEAERP CC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000644654429 471006041 /nfs/dbraw/zinc/00/60/41/471006041.db2.gz MISWJZDLALMKDU-RTBURBONSA-N 2 0 332.488 2.276 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654560964 471071987 /nfs/dbraw/zinc/07/19/87/471071987.db2.gz XSMYJHZCCFHMSU-JONQDZQNSA-N 2 0 336.480 2.348 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1c(C2CCC2)cnn1C)N1CC[NH+](C)CC1 ZINC000657303934 471092436 /nfs/dbraw/zinc/09/24/36/471092436.db2.gz SDDCIGUSDDETBE-SFHVURJKSA-N 2 0 333.524 2.049 10 0 EEAERP COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657423790 471132297 /nfs/dbraw/zinc/13/22/97/471132297.db2.gz NIHVUNJSWVLTGB-OAHLLOKOSA-N 2 0 336.395 2.369 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000657572699 471172655 /nfs/dbraw/zinc/17/26/55/471172655.db2.gz BWVKBMBZBJXPPO-KRWDZBQOSA-N 2 0 329.492 2.234 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cncc(Br)c1 ZINC000657573763 471173565 /nfs/dbraw/zinc/17/35/65/471173565.db2.gz SODJQJXYIIGKQX-ZDUSSCGKSA-N 2 0 343.313 2.206 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000657596874 471179568 /nfs/dbraw/zinc/17/95/68/471179568.db2.gz PCHFBCAGLHOZQS-RTBURBONSA-N 2 0 330.472 2.445 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000651945242 471180146 /nfs/dbraw/zinc/18/01/46/471180146.db2.gz ULBCPQDOPZVLGU-YLJYHZDGSA-N 2 0 332.488 2.213 10 0 EEAERP CN(C)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657594902 471180513 /nfs/dbraw/zinc/18/05/13/471180513.db2.gz KUBGJAIHMWWXER-MRXNPFEDSA-N 2 0 346.500 2.066 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652121711 471239192 /nfs/dbraw/zinc/23/91/92/471239192.db2.gz SKTUZAVEGXJJKO-UHFFFAOYSA-N 2 0 332.492 2.457 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000652186661 471252859 /nfs/dbraw/zinc/25/28/59/471252859.db2.gz RESFLCJKCQNJLR-UHFFFAOYSA-N 2 0 330.476 2.222 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])c(F)c1 ZINC000652268859 471264567 /nfs/dbraw/zinc/26/45/67/471264567.db2.gz OFEXKYHOZACROP-GOSISDBHSA-N 2 0 342.418 2.052 10 0 EEAERP CN(C(=O)NCCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652315894 471271272 /nfs/dbraw/zinc/27/12/72/471271272.db2.gz HQEQCAPDIJBAIH-LJQANCHMSA-N 2 0 344.503 2.292 10 0 EEAERP COC[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000660497177 471367590 /nfs/dbraw/zinc/36/75/90/471367590.db2.gz MHBBXDLJDRHBCR-JKSUJKDBSA-N 2 0 326.506 2.472 10 0 EEAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000663501020 471401338 /nfs/dbraw/zinc/40/13/38/471401338.db2.gz YDZMKPAERXHJCK-QGZVFWFLSA-N 2 0 333.476 2.151 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000663502161 471402627 /nfs/dbraw/zinc/40/26/27/471402627.db2.gz CVOHWQIFWRZVRR-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825978 471496811 /nfs/dbraw/zinc/49/68/11/471496811.db2.gz ADPFTNXDDHCSGC-TXEJJXNPSA-N 2 0 334.386 2.099 10 0 EEAERP CC[C@@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000669515814 471531405 /nfs/dbraw/zinc/53/14/05/471531405.db2.gz DEXDURZATURNRD-APWZRJJASA-N 2 0 329.488 2.428 10 0 EEAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924293 471542137 /nfs/dbraw/zinc/54/21/37/471542137.db2.gz JZSRKFNJVIKRME-GFCCVEGCSA-N 2 0 338.418 2.220 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C\C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000669562552 471556119 /nfs/dbraw/zinc/55/61/19/471556119.db2.gz KVGNCSWLXMKBAH-NQHOJNORSA-N 2 0 344.381 2.122 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000667083215 471647857 /nfs/dbraw/zinc/64/78/57/471647857.db2.gz PXXHBJNDXGXRTD-OAHLLOKOSA-N 2 0 334.464 2.281 10 0 EEAERP C[N@H+](CCCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000659504143 471660258 /nfs/dbraw/zinc/66/02/58/471660258.db2.gz YGEFEOMGXIHFAT-QGZVFWFLSA-N 2 0 336.524 2.282 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCCO1 ZINC000653875243 471764733 /nfs/dbraw/zinc/76/47/33/471764733.db2.gz SHVBWZKCNCHPMP-FHWLQOOXSA-N 2 0 347.503 2.343 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664540007 471787621 /nfs/dbraw/zinc/78/76/21/471787621.db2.gz IASLATAAVAYEKW-KZNAEPCWSA-N 2 0 330.476 2.167 10 0 EEAERP O[C@]1(C2CC2)CCC[NH+](C/C=C\C[N@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631419 471834977 /nfs/dbraw/zinc/83/49/77/471834977.db2.gz KPECFVWCEXYUHI-JLGNTZPISA-N 2 0 334.504 2.016 10 0 EEAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)CN1CCOCC1 ZINC000667680764 471865010 /nfs/dbraw/zinc/86/50/10/471865010.db2.gz QNIBBJWURBPTGT-UHFFFAOYSA-N 2 0 343.475 2.058 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000654444770 471962759 /nfs/dbraw/zinc/96/27/59/471962759.db2.gz CGHGNXLITFJJHX-GBESFXJTSA-N 2 0 344.503 2.290 10 0 EEAERP c1cc(CN2CCOC3(CCOCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667996937 471975146 /nfs/dbraw/zinc/97/51/46/471975146.db2.gz AVMOBSCBCWFTBO-UHFFFAOYSA-N 2 0 328.416 2.039 10 0 EEAERP c1ccc(N2CCN(CC3([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)CC2)cc1 ZINC000665273501 471986446 /nfs/dbraw/zinc/98/64/46/471986446.db2.gz YCMXVMYXAIDCRH-DFNIBXOVSA-N 2 0 340.515 2.214 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000665289129 471991216 /nfs/dbraw/zinc/99/12/16/471991216.db2.gz HCRLPZANSSBLGS-ZDUSSCGKSA-N 2 0 339.505 2.398 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000665364243 472021532 /nfs/dbraw/zinc/02/15/32/472021532.db2.gz MQIDSDYTVIRIKR-IRXDYDNUSA-N 2 0 336.524 2.233 10 0 EEAERP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H]1CCc2ccccc21 ZINC000662199316 472025340 /nfs/dbraw/zinc/02/53/40/472025340.db2.gz NUYJLJSICKSTNX-QGZVFWFLSA-N 2 0 341.499 2.391 10 0 EEAERP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253860 472044477 /nfs/dbraw/zinc/04/44/77/472044477.db2.gz XDEMGGXYPXVNDI-QZTJIDSGSA-N 2 0 346.471 2.197 10 0 EEAERP CCC[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000662281148 472055205 /nfs/dbraw/zinc/05/52/05/472055205.db2.gz UDLIURKZRFZPHP-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000662440862 472110333 /nfs/dbraw/zinc/11/03/33/472110333.db2.gz XKFOCKBCTUKHJV-IBGZPJMESA-N 2 0 347.503 2.109 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662452893 472114314 /nfs/dbraw/zinc/11/43/14/472114314.db2.gz QKKPSWMQRMGNEU-OKILXGFUSA-N 2 0 334.464 2.134 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000665639298 472120249 /nfs/dbraw/zinc/12/02/49/472120249.db2.gz UHQDVIZBQXHTEQ-IXDOHACOSA-N 2 0 326.529 2.479 10 0 EEAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc21 ZINC000662565000 472155846 /nfs/dbraw/zinc/15/58/46/472155846.db2.gz DDCOFBBHGZGHLQ-OKZBNKHCSA-N 2 0 327.472 2.137 10 0 EEAERP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662716368 472220304 /nfs/dbraw/zinc/22/03/04/472220304.db2.gz SEGPIQPPZXJBDJ-LJQANCHMSA-N 2 0 341.499 2.405 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662728225 472225459 /nfs/dbraw/zinc/22/54/59/472225459.db2.gz KAMPICZGVCMJAR-LJQANCHMSA-N 2 0 346.519 2.078 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793634 472253067 /nfs/dbraw/zinc/25/30/67/472253067.db2.gz KWZBELCQLSPAOR-UKRRQHHQSA-N 2 0 342.443 2.119 10 0 EEAERP CC1(C)CC[NH2+][C@@H]1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000662811498 472263469 /nfs/dbraw/zinc/26/34/69/472263469.db2.gz YRFBHZZTQMZQTA-MRXNPFEDSA-N 2 0 335.879 2.202 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000668784409 472266038 /nfs/dbraw/zinc/26/60/38/472266038.db2.gz FTMPDMIKHZMEMJ-FQEVSTJZSA-N 2 0 349.519 2.170 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000666045925 472287558 /nfs/dbraw/zinc/28/75/58/472287558.db2.gz WBRDUMUIDMYHES-UHFFFAOYSA-N 2 0 348.491 2.433 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000668860337 472301144 /nfs/dbraw/zinc/30/11/44/472301144.db2.gz XGCDGMICDHNTKJ-MAUKXSAKSA-N 2 0 330.476 2.080 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000651194438 485533017 /nfs/dbraw/zinc/53/30/17/485533017.db2.gz GRBPSQGISDGDBR-MRXNPFEDSA-N 2 0 326.529 2.336 10 0 EEAERP C[C@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045080 485571804 /nfs/dbraw/zinc/57/18/04/485571804.db2.gz SEFLTIPXYPFOBY-RXVVDRJESA-N 2 0 345.531 2.333 10 0 EEAERP CCc1nn(C)cc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397514396 485673745 /nfs/dbraw/zinc/67/37/45/485673745.db2.gz QYNMMXPXELXHKN-UHFFFAOYSA-N 2 0 342.487 2.099 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626955115 485695775 /nfs/dbraw/zinc/69/57/75/485695775.db2.gz UBFDDYLTOSBWGL-GBESFXJTSA-N 2 0 344.503 2.338 10 0 EEAERP CCC[C@H](C)CCC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542877 485730533 /nfs/dbraw/zinc/73/05/33/485730533.db2.gz OADCJISWPPQGSL-SZMVWBNQSA-N 2 0 336.524 2.423 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000073476855 490587865 /nfs/dbraw/zinc/58/78/65/490587865.db2.gz DZFCXNYAUFPORR-SFHVURJKSA-N 2 0 342.487 2.207 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415970332 527848399 /nfs/dbraw/zinc/84/83/99/527848399.db2.gz HXQPDMYOWNVUOD-MRXNPFEDSA-N 2 0 334.439 2.275 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000411544678 528979373 /nfs/dbraw/zinc/97/93/73/528979373.db2.gz OMRJLCXCWCOABT-CQSZACIVSA-N 2 0 349.523 2.198 10 0 EEAERP C[NH+](C)CCOC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448342082 535893851 /nfs/dbraw/zinc/89/38/51/535893851.db2.gz COGIPWYCAHYQTK-UHFFFAOYSA-N 2 0 328.460 2.415 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2)CC1 ZINC000422952589 536115144 /nfs/dbraw/zinc/11/51/44/536115144.db2.gz BKUAYRWRRYBGQO-XYPWUTKMSA-N 2 0 329.492 2.307 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814577 536596702 /nfs/dbraw/zinc/59/67/02/536596702.db2.gz VMHNPFPGAXZIPT-FUHIMQAGSA-N 3 0 349.519 2.139 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000751893800 577761745 /nfs/dbraw/zinc/76/17/45/577761745.db2.gz VDKHUBZNECKZFM-KRWDZBQOSA-N 2 0 332.492 2.309 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC1(c2ccccc2)CC1 ZINC000924465838 679088145 /nfs/dbraw/zinc/08/81/45/679088145.db2.gz BIPHDBWPIDEXDQ-UHFFFAOYSA-N 2 0 346.519 2.243 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCC[NH2+]C1 ZINC000261948594 682559882 /nfs/dbraw/zinc/55/98/82/682559882.db2.gz NPBAAPAIAJSCEN-PZJWPPBQSA-N 3 0 345.531 2.363 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000915252958 684066710 /nfs/dbraw/zinc/06/67/10/684066710.db2.gz UPAKHKZPHUAIBU-IRXDYDNUSA-N 2 0 330.476 2.241 10 0 EEAERP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)(F)C(F)(F)F ZINC000895678079 684678883 /nfs/dbraw/zinc/67/88/83/684678883.db2.gz SISMWSNVPLYEGP-GFCCVEGCSA-N 2 0 339.308 2.199 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000896781085 685241648 /nfs/dbraw/zinc/24/16/48/685241648.db2.gz MPOIICXBWYUBBO-UHFFFAOYSA-N 2 0 348.491 2.030 10 0 EEAERP COCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485576945 1191844886 /nfs/dbraw/zinc/84/48/86/1191844886.db2.gz GHGDNFGQCMUZCG-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cccc(C)c3)C[C@H]21 ZINC001485624334 1191866782 /nfs/dbraw/zinc/86/67/82/1191866782.db2.gz SFCSZSADYGRXFF-LDLYASANSA-N 2 0 329.488 2.131 10 0 EEAERP Cc1nocc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001485657968 1191878932 /nfs/dbraw/zinc/87/89/32/1191878932.db2.gz QJOVZURXSVRXPY-BQFCYCMXSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001485702390 1191905652 /nfs/dbraw/zinc/90/56/52/1191905652.db2.gz RGHPLKHMVFBGCT-GNAFJWSTSA-N 2 0 334.291 2.132 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001485765638 1191939338 /nfs/dbraw/zinc/93/93/38/1191939338.db2.gz MTDIOSLZLIQISJ-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266477619 1176609925 /nfs/dbraw/zinc/60/99/25/1176609925.db2.gz SIEQKHFGKQIEKT-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)sc1C ZINC001266632354 1177028556 /nfs/dbraw/zinc/02/85/56/1177028556.db2.gz BLIXNMQBUZBXKR-SHTZXODSSA-N 2 0 338.521 2.229 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCCO1)C1CCC1 ZINC001266870447 1177654645 /nfs/dbraw/zinc/65/46/45/1177654645.db2.gz JZTKURXBLLYJKP-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691306259 1177874262 /nfs/dbraw/zinc/87/42/62/1177874262.db2.gz TVYXMYRHEAMQSJ-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001691366880 1177970954 /nfs/dbraw/zinc/97/09/54/1177970954.db2.gz RTVTUYOFRWIAJI-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccns2)C1 ZINC001267026607 1178115354 /nfs/dbraw/zinc/11/53/54/1178115354.db2.gz JYTYDJOFYMSFJQ-HNNXBMFYSA-N 2 0 336.505 2.100 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cn1 ZINC001267067108 1178182110 /nfs/dbraw/zinc/18/21/10/1178182110.db2.gz NILSQTKZBBHOOR-DLBZAZTESA-N 2 0 347.507 2.016 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCOC1CCC1 ZINC001267171730 1178399033 /nfs/dbraw/zinc/39/90/33/1178399033.db2.gz NJSLHYBNNZMRAI-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267177030 1178425283 /nfs/dbraw/zinc/42/52/83/1178425283.db2.gz FHMRRBGYLLYPFS-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)OC ZINC001691444032 1178824026 /nfs/dbraw/zinc/82/40/26/1178824026.db2.gz HXKBCUPXUGCKPV-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001731532782 1178825385 /nfs/dbraw/zinc/82/53/85/1178825385.db2.gz YSXXBHPKOIBCLH-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP CN(CC[NH2+]Cc1cccc2cccnc21)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391967 1178958016 /nfs/dbraw/zinc/95/80/16/1178958016.db2.gz XLRPFBPMIQWCHY-GOSISDBHSA-N 2 0 340.471 2.267 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CC[C@@H]2CCCCO2)ccc2c[nH+]cn21 ZINC001267393764 1178963645 /nfs/dbraw/zinc/96/36/45/1178963645.db2.gz RVEYZUZMQKEYQP-KRWDZBQOSA-N 2 0 344.459 2.264 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CCc2cccs2)C1 ZINC001267416340 1178988626 /nfs/dbraw/zinc/98/86/26/1178988626.db2.gz MPIFBDKRPAFTKK-MRXNPFEDSA-N 2 0 337.533 2.461 10 0 EEAERP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)C1CC[NH+](C)CC1 ZINC001267423075 1178990379 /nfs/dbraw/zinc/99/03/79/1178990379.db2.gz UNBFKTANWNDWOJ-UHFFFAOYSA-N 2 0 337.895 2.272 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001267422677 1178991799 /nfs/dbraw/zinc/99/17/99/1178991799.db2.gz PCZTZYDRJHBANU-SFHVURJKSA-N 2 0 343.515 2.496 10 0 EEAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267429395 1178995934 /nfs/dbraw/zinc/99/59/34/1178995934.db2.gz ABUHDRMUUCDERB-MOPGFXCFSA-N 2 0 329.488 2.346 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267428888 1178996350 /nfs/dbraw/zinc/99/63/50/1178996350.db2.gz FZVSBTWDUGKEIL-LJQANCHMSA-N 2 0 335.467 2.447 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1F ZINC001267446423 1179021427 /nfs/dbraw/zinc/02/14/27/1179021427.db2.gz RRPBJAZIWDPBQW-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC001267454448 1179033529 /nfs/dbraw/zinc/03/35/29/1179033529.db2.gz ZAKJSUXSWSRNOD-IEBWSBKVSA-N 2 0 347.503 2.154 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001267571108 1179431760 /nfs/dbraw/zinc/43/17/60/1179431760.db2.gz IQMIXVZWNAGEFL-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001481041355 1179602932 /nfs/dbraw/zinc/60/29/32/1179602932.db2.gz CXGZBFVRGDWWMW-CHWSQXEVSA-N 2 0 341.393 2.199 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCOC(C)C)C1 ZINC001481052157 1179634300 /nfs/dbraw/zinc/63/43/00/1179634300.db2.gz KKQWXXKXLGCJSF-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001481056994 1179645492 /nfs/dbraw/zinc/64/54/92/1179645492.db2.gz DGZSBYOQEFSLGE-FUHWJXTLSA-N 2 0 345.487 2.118 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCCCF)C1 ZINC001481093276 1179723167 /nfs/dbraw/zinc/72/31/67/1179723167.db2.gz WUACYAHLEUMEKX-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CCCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cnoc1C ZINC001481143503 1179914200 /nfs/dbraw/zinc/91/42/00/1179914200.db2.gz FGWUPJUZMBRABT-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001481231205 1180362699 /nfs/dbraw/zinc/36/26/99/1180362699.db2.gz SLOCLIUBQGZRCE-BEFAXECRSA-N 2 0 345.487 2.146 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001481320002 1181024962 /nfs/dbraw/zinc/02/49/62/1181024962.db2.gz SFOZDZHWSKPEFU-SFHVURJKSA-N 2 0 335.467 2.494 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268040692 1181412850 /nfs/dbraw/zinc/41/28/50/1181412850.db2.gz UMVHAKRYSRTFBC-JKSUJKDBSA-N 2 0 325.472 2.382 10 0 EEAERP COCCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001268047090 1181550495 /nfs/dbraw/zinc/55/04/95/1181550495.db2.gz XXGCYNTUBSGMHV-UHFFFAOYSA-N 2 0 337.508 2.060 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268069512 1181663409 /nfs/dbraw/zinc/66/34/09/1181663409.db2.gz UWWQBLSGXLEVTM-CJNGLKHVSA-N 2 0 340.899 2.258 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001268096196 1181737318 /nfs/dbraw/zinc/73/73/18/1181737318.db2.gz ZRPCFBYDFDTWHH-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP CN(CC(=O)NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)Cc1ccccc1 ZINC001481606015 1181856120 /nfs/dbraw/zinc/85/61/20/1181856120.db2.gz JLQIWSFADHNDRI-CEXWTWQISA-N 2 0 341.499 2.355 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCOC)C1 ZINC001268160711 1181872644 /nfs/dbraw/zinc/87/26/44/1181872644.db2.gz WDBOJYGHGHEQJY-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268367055 1182348338 /nfs/dbraw/zinc/34/83/38/1182348338.db2.gz RPYIJWHBVGHAQI-MGPQQGTHSA-N 2 0 339.430 2.289 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268397072 1182474655 /nfs/dbraw/zinc/47/46/55/1182474655.db2.gz MVEXNJRGUGUABE-HNNXBMFYSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422494 1182587282 /nfs/dbraw/zinc/58/72/82/1182587282.db2.gz CTQXXLATVIHBTQ-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)[NH+](C)C ZINC001481933554 1182982441 /nfs/dbraw/zinc/98/24/41/1182982441.db2.gz LQYQEDRFNIFDIS-NVXWUHKLSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1nc(C)cs1)C1CC1)[NH+](C)C ZINC001481933961 1182987183 /nfs/dbraw/zinc/98/71/83/1182987183.db2.gz TVMUCEILUGHVGA-RHSMWYFYSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cccc(Cl)n1 ZINC001482131100 1183379224 /nfs/dbraw/zinc/37/92/24/1183379224.db2.gz KBGYFAAFCBFBJA-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482161932 1183480830 /nfs/dbraw/zinc/48/08/30/1183480830.db2.gz XKNYPEUPUJYMMI-AWEZNQCLSA-N 2 0 333.451 2.072 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCCc2ccccc2Cl)C1 ZINC001268626146 1183545197 /nfs/dbraw/zinc/54/51/97/1183545197.db2.gz MYCNLKLPYPULBO-VGOKWCNXSA-N 2 0 349.906 2.486 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191292 1183605866 /nfs/dbraw/zinc/60/58/66/1183605866.db2.gz BWOVZIMFGCKTKW-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001268793509 1183709665 /nfs/dbraw/zinc/70/96/65/1183709665.db2.gz QSEPCXVINUUWCS-RBUKOAKNSA-N 2 0 347.503 2.364 10 0 EEAERP CN(CCC[NH2+]Cc1cnn(C)c1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268801789 1183717899 /nfs/dbraw/zinc/71/78/99/1183717899.db2.gz GNCKYRYIFVHTSK-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268803249 1183721067 /nfs/dbraw/zinc/72/10/67/1183721067.db2.gz XRDRLYUXDFXCBK-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CC(F)(F)C2)CCCC1 ZINC001482236804 1184500435 /nfs/dbraw/zinc/50/04/35/1184500435.db2.gz PDVKJLZEKANGLO-UHFFFAOYSA-N 2 0 329.435 2.146 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cnc(C)o2)C1 ZINC001269786414 1184623815 /nfs/dbraw/zinc/62/38/15/1184623815.db2.gz UUPFUQXUDKMOHD-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001269986310 1184765421 /nfs/dbraw/zinc/76/54/21/1184765421.db2.gz ZJRNMNGZYLQRTA-BRSBDYLESA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@@H]1C ZINC001269989577 1184770119 /nfs/dbraw/zinc/77/01/19/1184770119.db2.gz ULRJIHILTAGZHF-ZWKOTPCHSA-N 2 0 347.503 2.375 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001270092002 1184840639 /nfs/dbraw/zinc/84/06/39/1184840639.db2.gz UOTOOUDVXZQTSD-HYNJPGQWSA-N 2 0 345.834 2.214 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001270287879 1184987111 /nfs/dbraw/zinc/98/71/11/1184987111.db2.gz SRYXURZKIVANFB-LWAXHKBTSA-N 2 0 327.900 2.440 10 0 EEAERP COCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270744936 1185361714 /nfs/dbraw/zinc/36/17/14/1185361714.db2.gz REIKIACBAFFOPB-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC001691510445 1185558997 /nfs/dbraw/zinc/55/89/97/1185558997.db2.gz KZQFIMXFZQUQPR-OKZBNKHCSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270989357 1185790829 /nfs/dbraw/zinc/79/08/29/1185790829.db2.gz ZWTFYQNAUZXXJF-HNNXBMFYSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001482471626 1185998725 /nfs/dbraw/zinc/99/87/25/1185998725.db2.gz KXAXLXCSNHCTPO-HOTGVXAUSA-N 2 0 348.491 2.128 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001271445550 1186231722 /nfs/dbraw/zinc/23/17/22/1186231722.db2.gz DMQQMKSPSUGYOE-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271740139 1186453353 /nfs/dbraw/zinc/45/33/53/1186453353.db2.gz SAGTYSSSBDEADA-FUHWJXTLSA-N 2 0 340.471 2.412 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1nc(C)cs1)C(C)C)[NH+](C)C ZINC001482565455 1186852159 /nfs/dbraw/zinc/85/21/59/1186852159.db2.gz LRXDWBZCQQUUSZ-ZIAGYGMSSA-N 2 0 326.510 2.022 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC001272045692 1187255753 /nfs/dbraw/zinc/25/57/53/1187255753.db2.gz WNBWCHYLQMPZLO-IRXDYDNUSA-N 2 0 325.472 2.287 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001482607593 1187362888 /nfs/dbraw/zinc/36/28/88/1187362888.db2.gz HKJGEDZOXRHVQK-INIZCTEOSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001482694739 1187661461 /nfs/dbraw/zinc/66/14/61/1187661461.db2.gz QQXCNJBQNZXQCP-OALUTQOASA-N 2 0 341.499 2.199 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCC[NH+]2CCCC2)o1 ZINC001482698933 1187669045 /nfs/dbraw/zinc/66/90/45/1187669045.db2.gz UAKVMDDSDLQORV-WMZOPIPTSA-N 2 0 348.491 2.234 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001482699974 1187678327 /nfs/dbraw/zinc/67/83/27/1187678327.db2.gz XVAMSTZTLGSPFN-RBUKOAKNSA-N 2 0 331.504 2.444 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482815919 1187748574 /nfs/dbraw/zinc/74/85/74/1187748574.db2.gz BRDTYSYAWFAPCH-LPHOPBHVSA-N 2 0 331.504 2.370 10 0 EEAERP Cc1ccccc1OCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482832244 1187752527 /nfs/dbraw/zinc/75/25/27/1187752527.db2.gz DOVKGFZIPIEOGP-RCCFBDPRSA-N 2 0 347.503 2.198 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482885309 1187801551 /nfs/dbraw/zinc/80/15/51/1187801551.db2.gz FYVHNCNIIGQFHK-QGZVFWFLSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001482887540 1187804151 /nfs/dbraw/zinc/80/41/51/1187804151.db2.gz AHPZNLHMSCGOFV-AAEUAGOBSA-N 2 0 346.928 2.367 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001482901262 1187812913 /nfs/dbraw/zinc/81/29/13/1187812913.db2.gz JNSUWSWIUDPHAW-CXAGYDPISA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482889737 1187816667 /nfs/dbraw/zinc/81/66/67/1187816667.db2.gz RYDTWPHRUZLVJJ-DOMZBBRYSA-N 2 0 326.510 2.022 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1cnccc1C ZINC001482926455 1187846563 /nfs/dbraw/zinc/84/65/63/1187846563.db2.gz BBHHOQXBVLKTAG-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CCc1nocc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483013303 1187997260 /nfs/dbraw/zinc/99/72/60/1187997260.db2.gz ZAQZEQARVNTBFI-SREVYHEPSA-N 2 0 348.491 2.264 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483047744 1188262961 /nfs/dbraw/zinc/26/29/61/1188262961.db2.gz NATSTYYMYIIUJJ-UCFODXPJSA-N 2 0 329.488 2.495 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CCC2(CC2)CC1)C12CC[NH+](CC1)C2 ZINC001483083940 1188445848 /nfs/dbraw/zinc/44/58/48/1188445848.db2.gz TUIBPALCZUQGPC-UPHRSURJSA-N 2 0 331.504 2.315 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001483099267 1188475499 /nfs/dbraw/zinc/47/54/99/1188475499.db2.gz WYJIAEVJQVXDDY-IHHMQQGQSA-N 2 0 329.488 2.366 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001272863900 1193582913 /nfs/dbraw/zinc/58/29/13/1193582913.db2.gz CKCFORIRBOYARM-UKRRQHHQSA-N 2 0 332.448 2.152 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001485876655 1193627682 /nfs/dbraw/zinc/62/76/82/1193627682.db2.gz IVNPVSOJUZRPMK-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001485886333 1193629886 /nfs/dbraw/zinc/62/98/86/1193629886.db2.gz UWFWGZYNUMDYGA-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1ccnc1 ZINC001409468991 1189754349 /nfs/dbraw/zinc/75/43/49/1189754349.db2.gz MVKMUMZYEXSYKT-HUUCEWRRSA-N 2 0 343.475 2.393 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409483062 1189844355 /nfs/dbraw/zinc/84/43/55/1189844355.db2.gz YSMQERLYPYEOAZ-UONOGXRCSA-N 2 0 344.459 2.341 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409483123 1189845439 /nfs/dbraw/zinc/84/54/39/1189845439.db2.gz YXPBOIIIZMIVIW-ZIAGYGMSSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001485955591 1193648384 /nfs/dbraw/zinc/64/83/84/1193648384.db2.gz NMIFIAKFCMGYGZ-SFHVURJKSA-N 2 0 331.504 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC(F)(F)C1 ZINC001409582151 1190069066 /nfs/dbraw/zinc/06/90/66/1190069066.db2.gz WPDKVCAXIWSFCM-DZGCQCFKSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1OC)[NH+](C)C ZINC001483239539 1190269945 /nfs/dbraw/zinc/26/99/45/1190269945.db2.gz BCGYINUNVPLBMG-SWLSCSKDSA-N 2 0 341.883 2.283 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001483258804 1190285014 /nfs/dbraw/zinc/28/50/14/1190285014.db2.gz VTEMHLAFBHGLOU-QFBILLFUSA-N 2 0 346.519 2.415 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001483272000 1190296572 /nfs/dbraw/zinc/29/65/72/1190296572.db2.gz GENWHDANQZCMNQ-WMLDXEAASA-N 2 0 336.455 2.078 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2cnccc2C)C1 ZINC001483375813 1190416234 /nfs/dbraw/zinc/41/62/34/1190416234.db2.gz ARJDBTGYANECHL-ZWKOTPCHSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410739 1190455953 /nfs/dbraw/zinc/45/59/53/1190455953.db2.gz WJIDORAMYPMTOD-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCOCC2)[C@H]1C ZINC001486092878 1193679021 /nfs/dbraw/zinc/67/90/21/1193679021.db2.gz IKBMJBBRDZULFX-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001483570833 1190559869 /nfs/dbraw/zinc/55/98/69/1190559869.db2.gz NQKTURDLIBRPKA-YOEHRIQHSA-N 2 0 332.423 2.489 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409819975 1190651822 /nfs/dbraw/zinc/65/18/22/1190651822.db2.gz AXBIIZDNURQAQN-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCOc1ccccc1 ZINC001483637492 1190700000 /nfs/dbraw/zinc/70/00/00/1190700000.db2.gz XSBUEMPFFKZUSI-MJGOQNOKSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1c(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001272280713 1190738182 /nfs/dbraw/zinc/73/81/82/1190738182.db2.gz MBOGGNCZGLIFMS-YOEHRIQHSA-N 2 0 332.423 2.490 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847154 1191082560 /nfs/dbraw/zinc/08/25/60/1191082560.db2.gz FWSIHRNRRQYDRL-IEBWSBKVSA-N 2 0 339.499 2.392 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483849069 1191084957 /nfs/dbraw/zinc/08/49/57/1191084957.db2.gz XWWPZOHLCYHJQT-AEFFLSMTSA-N 2 0 325.472 2.002 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484136412 1191227513 /nfs/dbraw/zinc/22/75/13/1191227513.db2.gz GEWGOLBOTNPICV-OWCLPIDISA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001484354505 1191315815 /nfs/dbraw/zinc/31/58/15/1191315815.db2.gz ZEKLJBDGSKJOIU-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001484520957 1191396443 /nfs/dbraw/zinc/39/64/43/1191396443.db2.gz LTQJDAMYISWVBD-SOLBZPMBSA-N 2 0 347.478 2.494 10 0 EEAERP COC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001484557158 1191413671 /nfs/dbraw/zinc/41/36/71/1191413671.db2.gz GBIANRPMEGSGBQ-SJORKVTESA-N 2 0 347.503 2.111 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484830199 1191538148 /nfs/dbraw/zinc/53/81/48/1191538148.db2.gz LEIXKFOMYXCBDD-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP CCC/C=C/CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001484871252 1191556216 /nfs/dbraw/zinc/55/62/16/1191556216.db2.gz VTVFYQVJJIAACG-SNAWJCMRSA-N 2 0 349.519 2.084 10 0 EEAERP CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484945484 1191588869 /nfs/dbraw/zinc/58/88/69/1191588869.db2.gz HFWYCSROQKMTLA-UHFFFAOYSA-N 2 0 329.488 2.252 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001485037849 1191627447 /nfs/dbraw/zinc/62/74/47/1191627447.db2.gz JEUCXEWUBZMRRX-RCCFBDPRSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(C[NH2+]CC2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1F ZINC001485100731 1191652046 /nfs/dbraw/zinc/65/20/46/1191652046.db2.gz IMDCLVWWEAKNGS-UHFFFAOYSA-N 2 0 347.478 2.460 10 0 EEAERP CCCC[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001485102811 1191652595 /nfs/dbraw/zinc/65/25/95/1191652595.db2.gz STEKRLNCKKXDKU-JMLCCBQJSA-N 2 0 327.488 2.483 10 0 EEAERP COc1cccc(C[NH2+]CC2CC(NC(=O)C[N@H+](C)C(C)C)C2)c1C ZINC001485110482 1191657577 /nfs/dbraw/zinc/65/75/77/1191657577.db2.gz KKXGSDLRSIQZHQ-UHFFFAOYSA-N 2 0 347.503 2.328 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485186106 1191681230 /nfs/dbraw/zinc/68/12/30/1191681230.db2.gz MSDLEKUFLORTBU-LSDHHAIUSA-N 2 0 342.487 2.493 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485193874 1191687443 /nfs/dbraw/zinc/68/74/43/1191687443.db2.gz LCYDSGXWTOMAOP-CHWSQXEVSA-N 2 0 338.496 2.252 10 0 EEAERP CCc1ccc(CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001485224371 1191696772 /nfs/dbraw/zinc/69/67/72/1191696772.db2.gz FBWJWFPMOIOFPR-IRXDYDNUSA-N 2 0 331.504 2.370 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001485229813 1191698786 /nfs/dbraw/zinc/69/87/86/1191698786.db2.gz MGQXAOKBPLQYOQ-STQMWFEESA-N 2 0 326.872 2.058 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCCC1CCOCC1 ZINC001485285415 1191716805 /nfs/dbraw/zinc/71/68/05/1191716805.db2.gz CTSSKCADKZPTFB-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)CCO1 ZINC001485455024 1191791710 /nfs/dbraw/zinc/79/17/10/1191791710.db2.gz QBMGIBKZVCLEKS-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)C1 ZINC001485455853 1191791857 /nfs/dbraw/zinc/79/18/57/1191791857.db2.gz YBRVMEKELWOETB-QGZVFWFLSA-N 2 0 344.503 2.332 10 0 EEAERP CC(C)[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001486451708 1193967149 /nfs/dbraw/zinc/96/71/49/1193967149.db2.gz ASPQIVNVABYBAE-KBPBESRZSA-N 2 0 337.430 2.496 10 0 EEAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001486519985 1194041613 /nfs/dbraw/zinc/04/16/13/1194041613.db2.gz YOAGCDCSVUPMSJ-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001273053101 1194357837 /nfs/dbraw/zinc/35/78/37/1194357837.db2.gz TXXPKNJIQHSUGE-PBHICJAKSA-N 2 0 336.480 2.230 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001410381649 1197777351 /nfs/dbraw/zinc/77/73/51/1197777351.db2.gz AMEAHVXSYQBDOW-BLLLJJGKSA-N 2 0 341.883 2.322 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410501727 1198057371 /nfs/dbraw/zinc/05/73/71/1198057371.db2.gz RABJCTWTEYXNOM-MAUKXSAKSA-N 2 0 346.519 2.402 10 0 EEAERP Cc1cccc(N2CCN(C(=O)C[N@H+](C)CCCCCC[NH3+])CC2)c1 ZINC000872155782 1198062167 /nfs/dbraw/zinc/06/21/67/1198062167.db2.gz WMAUTZWJULKBGL-UHFFFAOYSA-N 2 0 346.519 2.095 10 0 EEAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155989 1198063407 /nfs/dbraw/zinc/06/34/07/1198063407.db2.gz BZRNINBQIDZIQK-YQQAZPJKSA-N 2 0 328.522 2.041 10 0 EEAERP CCCc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872257415 1198115580 /nfs/dbraw/zinc/11/55/80/1198115580.db2.gz REEFXYPUEVAKQL-KSZLIROESA-N 2 0 329.444 2.006 10 0 EEAERP NC(=O)N1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000865717965 1198345169 /nfs/dbraw/zinc/34/51/69/1198345169.db2.gz QJKHIRTZSFGAQP-UHFFFAOYSA-N 2 0 344.503 2.421 10 0 EEAERP CCN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001273375026 1198394161 /nfs/dbraw/zinc/39/41/61/1198394161.db2.gz OPUJTJZUKORKFN-RBUKOAKNSA-N 2 0 347.503 2.031 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001410856101 1198507611 /nfs/dbraw/zinc/50/76/11/1198507611.db2.gz NWRLJGOKQNDQPL-DYVFJYSZSA-N 2 0 339.430 2.038 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCC1CCOCC1 ZINC001493063200 1198791989 /nfs/dbraw/zinc/79/19/89/1198791989.db2.gz NMHHEKSROJXOMZ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273434904 1198916698 /nfs/dbraw/zinc/91/66/98/1198916698.db2.gz VSPTWRGFHINZNI-SFHVURJKSA-N 2 0 334.508 2.223 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC(C)(C)C[NH+](C)C)cc(Cl)n1 ZINC000825789959 1199242984 /nfs/dbraw/zinc/24/29/84/1199242984.db2.gz DFLQLOQPHNVMGP-ZDUSSCGKSA-N 2 0 326.872 2.137 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810647273 1199644416 /nfs/dbraw/zinc/64/44/16/1199644416.db2.gz FZZKLBCXTFYPFZ-JTTJXQCZSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3cc(F)ccc32)C[C@H]1C[NH+](C)C ZINC000870017655 1200410057 /nfs/dbraw/zinc/41/00/57/1200410057.db2.gz PZGJVBGWBJPRSK-MDZRGWNJSA-N 2 0 347.478 2.053 10 0 EEAERP C[NH+]1CCC(NC(=O)CN2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000878393604 1200442752 /nfs/dbraw/zinc/44/27/52/1200442752.db2.gz ZFHNCOHYVFNIRV-YXBWYFRISA-N 2 0 327.472 2.375 10 0 EEAERP CCC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000826075968 1200698058 /nfs/dbraw/zinc/69/80/58/1200698058.db2.gz IUIBKWPOTSYVRI-OAHLLOKOSA-N 2 0 338.883 2.424 10 0 EEAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870936722 1200966155 /nfs/dbraw/zinc/96/61/55/1200966155.db2.gz CEALZKUVYQOOEJ-KBPBESRZSA-N 2 0 342.281 2.281 10 0 EEAERP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411493 1201510571 /nfs/dbraw/zinc/51/05/71/1201510571.db2.gz NOEUBOUMIIQUHK-CVEARBPZSA-N 2 0 333.476 2.147 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)CN2c3ccccc3[C@H]([NH3+])C2(C)C)CC1 ZINC000866701921 1201583733 /nfs/dbraw/zinc/58/37/33/1201583733.db2.gz RRVBHRIOUNWHKU-IBGZPJMESA-N 2 0 344.503 2.274 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001274120291 1204384183 /nfs/dbraw/zinc/38/41/83/1204384183.db2.gz YGLJJRBBULFZNQ-SNAWJCMRSA-N 2 0 341.499 2.367 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001274350051 1205004315 /nfs/dbraw/zinc/00/43/15/1205004315.db2.gz FQNKPLBVMPBCPT-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)C1 ZINC001274368001 1205011591 /nfs/dbraw/zinc/01/15/91/1205011591.db2.gz ILHJOTCAVZUACE-YIEVGGLXSA-N 2 0 349.906 2.486 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001274498861 1205058509 /nfs/dbraw/zinc/05/85/09/1205058509.db2.gz RDMWVHGFZNSOCC-YPQKKHBXSA-N 2 0 335.879 2.444 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274786295 1205164667 /nfs/dbraw/zinc/16/46/67/1205164667.db2.gz LRUJJDSBBMGYLB-YJBOKZPZSA-N 2 0 345.503 2.108 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001274787673 1205165502 /nfs/dbraw/zinc/16/55/02/1205165502.db2.gz RQULYANWTAMSQQ-CQSZACIVSA-N 2 0 337.895 2.461 10 0 EEAERP CCOCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cnc3C)CC2)CC1 ZINC001274885769 1205197118 /nfs/dbraw/zinc/19/71/18/1205197118.db2.gz RNOWWEOJIQKTAS-UHFFFAOYSA-N 2 0 348.491 2.002 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCF)C2)C1 ZINC001275184529 1205276763 /nfs/dbraw/zinc/27/67/63/1205276763.db2.gz PXUPLEKQCXQGLW-IRXDYDNUSA-N 2 0 327.488 2.248 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCF)C2)C1 ZINC001275184527 1205276814 /nfs/dbraw/zinc/27/68/14/1205276814.db2.gz PXUPLEKQCXQGLW-IAGOWNOFSA-N 2 0 327.488 2.248 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275273984 1205296318 /nfs/dbraw/zinc/29/63/18/1205296318.db2.gz KYEWYFGREVZLQJ-YOEHRIQHSA-N 2 0 337.895 2.461 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2cncc(C)c2)C1 ZINC001276185773 1205823805 /nfs/dbraw/zinc/82/38/05/1205823805.db2.gz QOBASAZSFSSPJK-LJQANCHMSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001276226448 1205843607 /nfs/dbraw/zinc/84/36/07/1205843607.db2.gz GLWGQOACBIQAHR-CYBMUJFWSA-N 2 0 338.521 2.040 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001276226135 1205843757 /nfs/dbraw/zinc/84/37/57/1205843757.db2.gz CHKRWCKNCIHKNM-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)CO ZINC000924642390 1206009080 /nfs/dbraw/zinc/00/90/80/1206009080.db2.gz AEQOISCJHGZREN-GOSISDBHSA-N 2 0 333.520 2.191 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)c1 ZINC000924920119 1206051496 /nfs/dbraw/zinc/05/14/96/1206051496.db2.gz LXIGKJBNRFCIII-WDYCEAGBSA-N 2 0 327.472 2.422 10 0 EEAERP C[C@@H](C[NH2+][C@H]1COCc2cccc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000924952276 1206054770 /nfs/dbraw/zinc/05/47/70/1206054770.db2.gz WTCVIXAIUDFYTB-YOEHRIQHSA-N 2 0 337.895 2.384 10 0 EEAERP CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(OC)n1 ZINC000925020434 1206061623 /nfs/dbraw/zinc/06/16/23/1206061623.db2.gz PWUXRMKTJGDNOI-MRXNPFEDSA-N 2 0 348.491 2.074 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925028953 1206062488 /nfs/dbraw/zinc/06/24/88/1206062488.db2.gz CQVGZLRSNWNDOC-AZUAARDMSA-N 2 0 329.488 2.345 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925501844 1206120407 /nfs/dbraw/zinc/12/04/07/1206120407.db2.gz DXMFLUPOPGTKSF-XUVXKRRUSA-N 2 0 348.487 2.495 10 0 EEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000925646062 1206139350 /nfs/dbraw/zinc/13/93/50/1206139350.db2.gz VGDLXTOYSWCJCY-BDQJQXKSSA-N 2 0 329.423 2.071 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925658542 1206141194 /nfs/dbraw/zinc/14/11/94/1206141194.db2.gz PHBLZCKZKLEXCP-DACLVMHWSA-N 2 0 338.442 2.482 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670736 1206142130 /nfs/dbraw/zinc/14/21/30/1206142130.db2.gz OBWHTCXNOBQXHP-IKGGRYGDSA-N 2 0 341.455 2.039 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846933 1206159661 /nfs/dbraw/zinc/15/96/61/1206159661.db2.gz VQGWABBFXXALQS-FPOVZHCZSA-N 2 0 344.547 2.172 10 0 EEAERP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1F ZINC000925856912 1206161645 /nfs/dbraw/zinc/16/16/45/1206161645.db2.gz OETDQZQSNRXKSH-OCCSQVGLSA-N 2 0 336.407 2.170 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)CC12CC[NH2+]CC2 ZINC000925859693 1206162370 /nfs/dbraw/zinc/16/23/70/1206162370.db2.gz XQUBEQWYMAQFFK-WMLDXEAASA-N 2 0 329.444 2.208 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925915763 1206167695 /nfs/dbraw/zinc/16/76/95/1206167695.db2.gz GJZONKNRWBCQDX-ROUUACIJSA-N 2 0 347.507 2.199 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925936108 1206171531 /nfs/dbraw/zinc/17/15/31/1206171531.db2.gz JHIIBRDQAOZUSX-NMLBUPMWSA-N 2 0 341.499 2.220 10 0 EEAERP Cc1ccc(NC(=O)NCCN2CCC([NH3+])CC2)cc1OC(C)C ZINC000926103682 1206192559 /nfs/dbraw/zinc/19/25/59/1206192559.db2.gz METKZJGEAAFTGW-UHFFFAOYSA-N 2 0 334.464 2.327 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000926202434 1206204050 /nfs/dbraw/zinc/20/40/50/1206204050.db2.gz LSVZVGRFUSFWQW-IRXDYDNUSA-N 2 0 333.524 2.360 10 0 EEAERP C[N@H+](C[C@@H](O)C1(O)CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753463 1206498454 /nfs/dbraw/zinc/49/84/54/1206498454.db2.gz ATOUKUIOLHYWSE-RTBURBONSA-N 2 0 332.488 2.106 10 0 EEAERP C[C@H]1COCC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717991957 1211684740 /nfs/dbraw/zinc/68/47/40/1211684740.db2.gz BONNOJIFMNJWIA-HKUYNNGSSA-N 2 0 332.488 2.418 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCCCCF)C1 ZINC001276326736 1215732705 /nfs/dbraw/zinc/73/27/05/1215732705.db2.gz JSPXFLUKYLTRKI-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)C1(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCOCC1 ZINC000900713271 1234692474 /nfs/dbraw/zinc/69/24/74/1234692474.db2.gz DSTKEFVETAQALG-UHFFFAOYSA-N 2 0 344.459 2.131 10 0 EEAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902739024 1238361458 /nfs/dbraw/zinc/36/14/58/1238361458.db2.gz HBWMXKAXFCDKDP-AEFFLSMTSA-N 2 0 331.504 2.242 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH+](CC(C)C)CC2)cc(Cl)n1 ZINC000827284036 1239193794 /nfs/dbraw/zinc/19/37/94/1239193794.db2.gz SXMVMUIOPYKHNW-OAHLLOKOSA-N 2 0 338.883 2.234 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827075943 1249786662 /nfs/dbraw/zinc/78/66/62/1249786662.db2.gz IICOEHMNOZDUTI-WFASDCNBSA-N 2 0 338.883 2.281 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H]3CCCCO3)CC2)cnn1C ZINC000903932971 1242556281 /nfs/dbraw/zinc/55/62/81/1242556281.db2.gz IQSGSBRUJZXTSB-VQIMIIECSA-N 2 0 334.508 2.127 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001490957848 1258508719 /nfs/dbraw/zinc/50/87/19/1258508719.db2.gz FUWLFQPCIJDRQI-HDJSIYSDSA-N 2 0 325.403 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001490958184 1258509844 /nfs/dbraw/zinc/50/98/44/1258509844.db2.gz QSSFDCIBJXWDEF-HAQNSBGRSA-N 2 0 329.897 2.479 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@@H]21 ZINC001490980618 1258531689 /nfs/dbraw/zinc/53/16/89/1258531689.db2.gz FJUFWMGCYWJMTE-RQTGCPSESA-N 2 0 327.900 2.392 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491026459 1258583003 /nfs/dbraw/zinc/58/30/03/1258583003.db2.gz NZHBZEJBKYSCPL-XHSDSOJGSA-N 2 0 348.491 2.409 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001491025318 1258583219 /nfs/dbraw/zinc/58/32/19/1258583219.db2.gz CITSVNAXZDFMDI-DDCPPBFHSA-N 2 0 325.884 2.383 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC001491184598 1258749044 /nfs/dbraw/zinc/74/90/44/1258749044.db2.gz HUCNJIAWCYVCQZ-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001491330995 1258965019 /nfs/dbraw/zinc/96/50/19/1258965019.db2.gz UQLNLAZCQLRDSZ-GFEQUFNTSA-N 2 0 333.520 2.486 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC001491461441 1259112292 /nfs/dbraw/zinc/11/22/92/1259112292.db2.gz FQJUWAMQGHKZOO-AEGPPILISA-N 2 0 338.883 2.060 10 0 EEAERP CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273546379 1279626424 /nfs/dbraw/zinc/62/64/24/1279626424.db2.gz NJOFPPKMYSGHKV-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[NH+]1CCC([N@H+](C)CCOCCNC(=O)OC(C)(C)C)CC1 ZINC001191418123 1281387730 /nfs/dbraw/zinc/38/77/30/1281387730.db2.gz RTHFBXUGEINFFB-UHFFFAOYSA-N 2 0 343.512 2.334 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273645690 1282136037 /nfs/dbraw/zinc/13/60/37/1282136037.db2.gz PFZIXAUJXSJIPO-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP CCC1([NH2+]CCC[C@H]2CCOC2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001273782870 1285657348 /nfs/dbraw/zinc/65/73/48/1285657348.db2.gz PNCZMESCKRVDOM-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001490256636 1291080420 /nfs/dbraw/zinc/08/04/20/1291080420.db2.gz RLASSZJTKDZWRQ-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001490307096 1291153955 /nfs/dbraw/zinc/15/39/55/1291153955.db2.gz QWKOVUUVXFTMJK-XJKSGUPXSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1ncoc1C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001490383094 1291268222 /nfs/dbraw/zinc/26/82/22/1291268222.db2.gz NARBHBJYOCSESH-HOCLYGCPSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC000852732073 1292180115 /nfs/dbraw/zinc/18/01/15/1292180115.db2.gz QGVXIFPPOSEXOQ-FGTMMUONSA-N 2 0 340.895 2.444 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)[C@@H](C)C2)cc1C ZINC000852745903 1292183945 /nfs/dbraw/zinc/18/39/45/1292183945.db2.gz ACKQBOCKBBJACR-PKOBYXMFSA-N 2 0 329.488 2.335 10 0 EEAERP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888238 1292226040 /nfs/dbraw/zinc/22/60/40/1292226040.db2.gz VTHCDUJWFUIJCM-VQIMIIECSA-N 2 0 327.472 2.323 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3conc3C)C2)ccn1 ZINC000856547565 1293562843 /nfs/dbraw/zinc/56/28/43/1293562843.db2.gz ATNOTNVWJQJSCU-SFHVURJKSA-N 2 0 330.432 2.483 10 0 EEAERP Cn1ccnc1[C@@](O)(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858105677 1294007480 /nfs/dbraw/zinc/00/74/80/1294007480.db2.gz MCVRVDUBLOSYRN-WFASDCNBSA-N 2 0 348.413 2.023 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=C(C(=O)OCC)C2)[C@H](C)C1 ZINC000858504969 1294137269 /nfs/dbraw/zinc/13/72/69/1294137269.db2.gz CIEBGWGZQYOYCT-NJAFHUGGSA-N 2 0 338.492 2.365 10 0 EEAERP CCc1cccc2[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000859221025 1294353341 /nfs/dbraw/zinc/35/33/41/1294353341.db2.gz 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2.330 10 0 EEAERP C[C@H](C[NH2+]CCCCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321522071 1333117469 /nfs/dbraw/zinc/11/74/69/1333117469.db2.gz BMKMQAFGDQRPGU-ZHALLVOQSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001322542880 1333279512 /nfs/dbraw/zinc/27/95/12/1333279512.db2.gz GIRQJRXINLTESW-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001322666731 1333304586 /nfs/dbraw/zinc/30/45/86/1333304586.db2.gz DMAVBRFUGDPFQM-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001322693131 1333308736 /nfs/dbraw/zinc/30/87/36/1333308736.db2.gz CDWKWIAQTVXQPV-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001322769120 1333322425 /nfs/dbraw/zinc/32/24/25/1333322425.db2.gz ICHCDAVVOBYJDH-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001323000864 1333366846 /nfs/dbraw/zinc/36/68/46/1333366846.db2.gz RPYMCMXDLCWBBV-NSISKUIASA-N 2 0 343.515 2.444 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCCCF)C2)C1 ZINC001323843105 1333552340 /nfs/dbraw/zinc/55/23/40/1333552340.db2.gz DMKGQCJYJIRGBV-WMZOPIPTSA-N 2 0 325.472 2.145 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001326272018 1334056921 /nfs/dbraw/zinc/05/69/21/1334056921.db2.gz GQVSRYPUVKZIPO-HKUYNNGSSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001327901867 1334361810 /nfs/dbraw/zinc/36/18/10/1334361810.db2.gz KYBFTRMJTDEUDR-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001328004869 1334377361 /nfs/dbraw/zinc/37/73/61/1334377361.db2.gz SXNCXQOTZOFNKQ-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001328437646 1334458406 /nfs/dbraw/zinc/45/84/06/1334458406.db2.gz WFBFQTUFYVKEMA-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001332030797 1335710124 /nfs/dbraw/zinc/71/01/24/1335710124.db2.gz JDVCQIQEGAKRRJ-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1 ZINC001332396522 1335817462 /nfs/dbraw/zinc/81/74/62/1335817462.db2.gz DAZCQWXZXHOAIQ-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc2c(nccc2C(=O)Nc2c[nH+]ccc2-n2ccnc2C)[nH]1 ZINC001332750648 1335898274 /nfs/dbraw/zinc/89/82/74/1335898274.db2.gz QTKXIFBOSRJXFW-UHFFFAOYSA-N 2 0 333.355 2.408 10 0 EEAERP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001333139867 1335969763 /nfs/dbraw/zinc/96/97/63/1335969763.db2.gz FAUZSFRWIJIAIW-UHFFFAOYSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](C/C=C\c2ccccc2)CC1 ZINC001333392320 1336031224 /nfs/dbraw/zinc/03/12/24/1336031224.db2.gz VCHSHVKOXKWXAL-TWGQIWQCSA-N 2 0 327.472 2.400 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CCc2cccs2)CC1 ZINC001333432017 1336044833 /nfs/dbraw/zinc/04/48/33/1336044833.db2.gz KPWWSVXWGUTFGX-UHFFFAOYSA-N 2 0 335.517 2.381 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCOC(C)C ZINC001479268679 1337321475 /nfs/dbraw/zinc/32/14/75/1337321475.db2.gz ALUPKTIHMXOLET-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001436353847 1342047215 /nfs/dbraw/zinc/04/72/15/1342047215.db2.gz JHJDBANOWPTQCE-NFAWXSAZSA-N 2 0 339.430 2.462 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C1)[NH+]1CCCC1 ZINC001436393632 1342070683 /nfs/dbraw/zinc/07/06/83/1342070683.db2.gz IJWVYTXHPOTKDL-CZIWCDLHSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001436400315 1342074585 /nfs/dbraw/zinc/07/45/85/1342074585.db2.gz CLRFZDMQXUFVGS-XSLAGTTESA-N 2 0 344.503 2.247 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001502759513 1342230857 /nfs/dbraw/zinc/23/08/57/1342230857.db2.gz HXJFWUKHNDEKGU-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001565828936 1342564421 /nfs/dbraw/zinc/56/44/21/1342564421.db2.gz UOCNFGMAAQAXLV-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001566909944 1342650713 /nfs/dbraw/zinc/65/07/13/1342650713.db2.gz INIRUVIXBYCQOW-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP COc1cccc(CCC[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001567016512 1342679097 /nfs/dbraw/zinc/67/90/97/1342679097.db2.gz GYQGGPAVHRQSDC-GPMSIDNRSA-N 2 0 347.503 2.062 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC001567497398 1342770608 /nfs/dbraw/zinc/77/06/08/1342770608.db2.gz XCQMIJOBFJEPSG-CRAIPNDOSA-N 2 0 329.488 2.452 10 0 EEAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCOCC)C1 ZINC001567689707 1342813179 /nfs/dbraw/zinc/81/31/79/1342813179.db2.gz YIXAEXOBRUKAMW-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCc1ccccc1F ZINC001569847102 1342957554 /nfs/dbraw/zinc/95/75/54/1342957554.db2.gz MIUIIBGCHVBCGR-FUHWJXTLSA-N 2 0 349.494 2.394 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001570046902 1343003900 /nfs/dbraw/zinc/00/39/00/1343003900.db2.gz PXGPUZSBXPTEKH-SAABIXHNSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCOc2cccc(C)c2)C1 ZINC001570358394 1343060939 /nfs/dbraw/zinc/06/09/39/1343060939.db2.gz DBPWVKVWSFAIFN-MJGOQNOKSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1cccc(CCC[NH2+]CC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001570581565 1343088565 /nfs/dbraw/zinc/08/85/65/1343088565.db2.gz ZQSFEKSDMNEHRK-GPJFCIFZSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)C[NH+]1CCCC1 ZINC001571324251 1343181260 /nfs/dbraw/zinc/18/12/60/1343181260.db2.gz BGYBTDIQEPDVIH-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOc2cccc(C)c2)C[C@H]1C ZINC001571491210 1343219111 /nfs/dbraw/zinc/21/91/11/1343219111.db2.gz OEBFBPUQOTXKMO-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001676205272 1357119845 /nfs/dbraw/zinc/11/98/45/1357119845.db2.gz SQXBAQRZWCUFPG-STQMWFEESA-N 2 0 334.291 2.226 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001676423654 1357148610 /nfs/dbraw/zinc/14/86/10/1357148610.db2.gz IUWOOUTTXLCVIY-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCCOC)C(C)(C)C1 ZINC001677042307 1357267672 /nfs/dbraw/zinc/26/76/72/1357267672.db2.gz BNKUGCXDWLCFJM-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@H]2C1 ZINC001649360308 1353497029 /nfs/dbraw/zinc/49/70/29/1353497029.db2.gz NXJCFUTZRNEQNB-BHYGNILZSA-N 2 0 326.444 2.361 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001649711391 1353568536 /nfs/dbraw/zinc/56/85/36/1353568536.db2.gz XMYLVKOCBZHLAO-AWEZNQCLSA-N 2 0 328.420 2.121 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001654216203 1354143980 /nfs/dbraw/zinc/14/39/80/1354143980.db2.gz ONVPXAVABLPDOZ-KSZLIROESA-N 2 0 344.503 2.392 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cn1 ZINC001660162598 1354408062 /nfs/dbraw/zinc/40/80/62/1354408062.db2.gz QHEWWEUOCPNRAA-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC001660333762 1354442617 /nfs/dbraw/zinc/44/26/17/1354442617.db2.gz LHQPMDUNOMWAOH-SFHVURJKSA-N 2 0 347.503 2.227 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001660346025 1354444717 /nfs/dbraw/zinc/44/47/17/1354444717.db2.gz QXMVHBSKVXZHEC-QGZVFWFLSA-N 2 0 347.507 2.016 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001660833103 1354547283 /nfs/dbraw/zinc/54/72/83/1354547283.db2.gz HKIHWABPRYQSKC-SFHVURJKSA-N 2 0 347.503 2.021 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001661333239 1354629027 /nfs/dbraw/zinc/62/90/27/1354629027.db2.gz PXKYHONJXULDFK-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001662018429 1354742502 /nfs/dbraw/zinc/74/25/02/1354742502.db2.gz SQAGJFMVLFUWFA-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001663624992 1355003654 /nfs/dbraw/zinc/00/36/54/1355003654.db2.gz LDLHXUPWKLQXCU-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001664463974 1355170681 /nfs/dbraw/zinc/17/06/81/1355170681.db2.gz YQZYOARIFYMAOE-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)C[NH+]2CC[C@@H](C)C2)C(C)C)c1 ZINC001664539660 1355190164 /nfs/dbraw/zinc/19/01/64/1355190164.db2.gz XBXBUKGSDZCJFT-QGZVFWFLSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001666245034 1355493974 /nfs/dbraw/zinc/49/39/74/1355493974.db2.gz NTDOOEGERWAHAM-HNNXBMFYSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001666573071 1355547071 /nfs/dbraw/zinc/54/70/71/1355547071.db2.gz HBDKOIOVAPWMGK-GFCCVEGCSA-N 2 0 341.415 2.095 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001666903906 1355612749 /nfs/dbraw/zinc/61/27/49/1355612749.db2.gz ZQOJGJYJLSROKR-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001666983343 1355627181 /nfs/dbraw/zinc/62/71/81/1355627181.db2.gz ZFLHTFVHAWWTIH-KRWDZBQOSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001668888463 1356036779 /nfs/dbraw/zinc/03/67/79/1356036779.db2.gz YHNAECNWHXVEGP-SQRWCISFSA-N 2 0 336.505 2.006 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001669039945 1356075270 /nfs/dbraw/zinc/07/52/70/1356075270.db2.gz RNYLOHOQZZWZHQ-VGOKWCNXSA-N 2 0 345.487 2.107 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2o1 ZINC001670041815 1356265501 /nfs/dbraw/zinc/26/55/01/1356265501.db2.gz JHJIUSKONWQAIP-HOCLYGCPSA-N 2 0 344.459 2.421 10 0 EEAERP Cc1ccc(OCC[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001670144038 1356284542 /nfs/dbraw/zinc/28/45/42/1356284542.db2.gz KXPXSHJUAVZFTR-LJQANCHMSA-N 2 0 347.503 2.296 10 0 EEAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001671737392 1356405148 /nfs/dbraw/zinc/40/51/48/1356405148.db2.gz ZBBPTYKFQNVJPX-SJLPKXTDSA-N 2 0 333.480 2.028 10 0 EEAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001671737390 1356405525 /nfs/dbraw/zinc/40/55/25/1356405525.db2.gz ZBBPTYKFQNVJPX-AEFFLSMTSA-N 2 0 333.480 2.028 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001672400763 1356515307 /nfs/dbraw/zinc/51/53/07/1356515307.db2.gz QVRCAHIDSNJCRC-SJLPKXTDSA-N 2 0 335.467 2.305 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](CC[NH2+]CCCCCF)C1 ZINC001672795362 1356585767 /nfs/dbraw/zinc/58/57/67/1356585767.db2.gz BDPSVYGXJXFODV-FUHWJXTLSA-N 2 0 339.499 2.296 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001675745565 1357045688 /nfs/dbraw/zinc/04/56/88/1357045688.db2.gz JQZABTDRYXZJJM-ZVZYQTTQSA-N 2 0 347.528 2.117 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699367482 1405341254 /nfs/dbraw/zinc/34/12/54/1405341254.db2.gz LYDWSSBTJPVTJV-DYVFJYSZSA-N 2 0 339.430 2.086 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[NH+]1CCCC1 ZINC001699550160 1405385821 /nfs/dbraw/zinc/38/58/21/1405385821.db2.gz FDSWDKCRETVQHR-UHFFFAOYSA-N 2 0 329.488 2.209 10 0 EEAERP Cc1oncc1C[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001699706881 1405456936 /nfs/dbraw/zinc/45/69/36/1405456936.db2.gz UGVAZBONXCSNQF-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001699827936 1405513307 /nfs/dbraw/zinc/51/33/07/1405513307.db2.gz UYQZLJZDUILYML-INIZCTEOSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](CCCCCF)C1 ZINC001699876911 1405543518 /nfs/dbraw/zinc/54/35/18/1405543518.db2.gz LWJWUTKUZRSAIJ-SFHVURJKSA-N 2 0 339.499 2.440 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1 ZINC000921330970 773274743 /nfs/dbraw/zinc/27/47/43/773274743.db2.gz TUMUSKZQVMNRMJ-BZSNNMDCSA-N 2 0 347.507 2.246 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000921438378 773373706 /nfs/dbraw/zinc/37/37/06/773373706.db2.gz ZMOLTCHOKFPDTC-QZTJIDSGSA-N 2 0 347.507 2.248 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925907767 780100322 /nfs/dbraw/zinc/10/03/22/780100322.db2.gz UJLMNQPINIRNMH-KRWDZBQOSA-N 2 0 335.496 2.056 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000907503243 784681399 /nfs/dbraw/zinc/68/13/99/784681399.db2.gz PHTSXPLFNBMCOZ-SFHVURJKSA-N 2 0 327.472 2.109 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908234836 785253829 /nfs/dbraw/zinc/25/38/29/785253829.db2.gz BPCZFCGXSUFZIF-OALUTQOASA-N 2 0 344.503 2.379 10 0 EEAERP O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)C12CC[NH+](CC1)C2 ZINC000908414716 785394281 /nfs/dbraw/zinc/39/42/81/785394281.db2.gz LEFPGOLOAFHJNG-UHFFFAOYSA-N 2 0 340.427 2.458 10 0 EEAERP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1Cl ZINC000819172277 785446418 /nfs/dbraw/zinc/44/64/18/785446418.db2.gz CBLNBKOGBAYUIH-BZSNNMDCSA-N 2 0 338.879 2.341 10 0 EEAERP Cn1nc2c(c1C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)COCC2 ZINC000921511110 785622073 /nfs/dbraw/zinc/62/20/73/785622073.db2.gz BTOCUVQMZBBHHH-UHFFFAOYSA-N 2 0 340.471 2.378 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918542 788476838 /nfs/dbraw/zinc/47/68/38/788476838.db2.gz FLXWPBDPZFEXJB-RTBURBONSA-N 2 0 327.472 2.205 10 0 EEAERP CN(C(=O)c1ccc(C[NH3+])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844181728 788890322 /nfs/dbraw/zinc/89/03/22/788890322.db2.gz ACTPGDNJXPTJSQ-UHFFFAOYSA-N 2 0 327.428 2.362 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925341169 788969242 /nfs/dbraw/zinc/96/92/42/788969242.db2.gz GDHCELNQQPQOSF-SUMDDJOVSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844315598 789019851 /nfs/dbraw/zinc/01/98/51/789019851.db2.gz ABOVPFPSCFFXGH-LZQZEXGQSA-N 2 0 343.471 2.470 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)CC(C)C ZINC000923374331 789455893 /nfs/dbraw/zinc/45/58/93/789455893.db2.gz VQNSWYWOWSOIGB-IBGZPJMESA-N 3 0 337.552 2.445 10 0 EEAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844922914 789464175 /nfs/dbraw/zinc/46/41/75/789464175.db2.gz ORXVVQPLAAXAQJ-NSHDSACASA-N 2 0 332.416 2.463 10 0 EEAERP CCOc1ccc(OCC[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923455834 789572085 /nfs/dbraw/zinc/57/20/85/789572085.db2.gz NBESXTYAWYHDRP-GOSISDBHSA-N 2 0 334.460 2.294 10 0 EEAERP CCOc1ccccc1OCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449997 789580650 /nfs/dbraw/zinc/58/06/50/789580650.db2.gz SENHLJRPZIBWMY-INIZCTEOSA-N 2 0 334.460 2.294 10 0 EEAERP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923502972 789668020 /nfs/dbraw/zinc/66/80/20/789668020.db2.gz DGKWCVBHHHILME-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP O=C1CCCN1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716673910 796405936 /nfs/dbraw/zinc/40/59/36/796405936.db2.gz RRENBCUULBOABB-FHWLQOOXSA-N 2 0 327.472 2.252 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716680748 796442481 /nfs/dbraw/zinc/44/24/81/796442481.db2.gz UJUWANVDZSRKFL-JSXRDJHFSA-N 2 0 343.515 2.350 10 0 EEAERP COC(=O)COc1ccccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000921920848 798103917 /nfs/dbraw/zinc/10/39/17/798103917.db2.gz SNHCJGISHGKSIL-UHFFFAOYSA-N 2 0 334.460 2.448 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000922500229 801188173 /nfs/dbraw/zinc/18/81/73/801188173.db2.gz ACMAEWWARMUXKN-JOCBIADPSA-N 2 0 330.476 2.041 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001565977856 1125480326 /nfs/dbraw/zinc/48/03/26/1125480326.db2.gz NNSABODSEKHDFX-RDBSUJKOSA-N 2 0 348.318 2.474 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001566029397 1125505375 /nfs/dbraw/zinc/50/53/75/1125505375.db2.gz ZLKMAYPEXVYVDK-RCCFBDPRSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001566491368 1125657801 /nfs/dbraw/zinc/65/78/01/1125657801.db2.gz VKVQSUSBBSGWOP-MRXNPFEDSA-N 2 0 349.523 2.052 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001566516580 1125689606 /nfs/dbraw/zinc/68/96/06/1125689606.db2.gz QDZBOCNYSOOUFV-RDJZCZTQSA-N 2 0 333.476 2.146 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3cccnc3)[C@H]2C1(C)C ZINC001436448663 1087871411 /nfs/dbraw/zinc/87/14/11/1087871411.db2.gz QSCQYISBAUTVIW-QXAKKESOSA-N 2 0 344.503 2.139 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1)[NH+](C)C ZINC001436736329 1088213891 /nfs/dbraw/zinc/21/38/91/1088213891.db2.gz UMSZAOQMNMTZBL-WMZOPIPTSA-N 2 0 328.460 2.199 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C2CC2)C1 ZINC001436824357 1088425805 /nfs/dbraw/zinc/42/58/05/1088425805.db2.gz CSWDDVDVABTMCG-QZTJIDSGSA-N 2 0 333.520 2.393 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)C1 ZINC001436831991 1088448102 /nfs/dbraw/zinc/44/81/02/1088448102.db2.gz YOOJZGDXXKEHLH-HKUYNNGSSA-N 2 0 347.478 2.482 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437014233 1088795392 /nfs/dbraw/zinc/79/53/92/1088795392.db2.gz SQIICORYIKKQFY-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001437060959 1088969625 /nfs/dbraw/zinc/96/96/25/1088969625.db2.gz CUTRAKLSECCSEW-ZBFHGGJFSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001437265666 1089413369 /nfs/dbraw/zinc/41/33/69/1089413369.db2.gz QOKPPACDBQOKRI-CZUORRHYSA-N 2 0 338.521 2.166 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001437314852 1089474555 /nfs/dbraw/zinc/47/45/55/1089474555.db2.gz UFILGQIJDIWIQS-HUUCEWRRSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437325996 1089494354 /nfs/dbraw/zinc/49/43/54/1089494354.db2.gz SFHUKZPXTQJFCO-MSOLQXFVSA-N 2 0 332.492 2.247 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001437336885 1089525985 /nfs/dbraw/zinc/52/59/85/1089525985.db2.gz MPKOLOSBBSMKDL-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(C2CC2)no1 ZINC001437394828 1089651046 /nfs/dbraw/zinc/65/10/46/1089651046.db2.gz BKHJWILADJJSJH-YCPHGPKFSA-N 2 0 348.491 2.267 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1C ZINC001437426313 1089716328 /nfs/dbraw/zinc/71/63/28/1089716328.db2.gz HHXMCLHGJIQCOR-QAPCUYQASA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H]1CC[C@@H](C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)O1 ZINC001437484253 1089839471 /nfs/dbraw/zinc/83/94/71/1089839471.db2.gz NTHWSULCMXASKU-WBVHZDCISA-N 2 0 339.524 2.255 10 0 EEAERP CCC[N@@H+](C/C=C\Cl)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001437755456 1090324505 /nfs/dbraw/zinc/32/45/05/1090324505.db2.gz ZBWSDHYTTLKDSR-YVMONPNESA-N 2 0 327.900 2.443 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cncs2)C1)[NH+](C)C ZINC001437939477 1090533489 /nfs/dbraw/zinc/53/34/89/1090533489.db2.gz KVTOZBSBGSZEBD-GDBMZVCRSA-N 2 0 338.521 2.058 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001437973572 1090563982 /nfs/dbraw/zinc/56/39/82/1090563982.db2.gz CWTJMRGSVGVCFG-DLBZAZTESA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccns1 ZINC001438320388 1090795430 /nfs/dbraw/zinc/79/54/30/1090795430.db2.gz DPGZPOPSHDIICM-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001438423475 1090918597 /nfs/dbraw/zinc/91/85/97/1090918597.db2.gz ZCMUUNTVEJFWDG-IBGZPJMESA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2scnc2C)CC[N@@H+]1C ZINC001438494982 1090992665 /nfs/dbraw/zinc/99/26/65/1090992665.db2.gz VPXIWIYQGQYJDL-AEGPPILISA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCOCC1 ZINC001438693815 1091196408 /nfs/dbraw/zinc/19/64/08/1091196408.db2.gz NPEFIXWVHHWLMI-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001445572816 1091352701 /nfs/dbraw/zinc/35/27/01/1091352701.db2.gz SFASTDLJHHBCRU-WMZOPIPTSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](CC[NH2+][C@H](C)c1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001439051008 1091697827 /nfs/dbraw/zinc/69/78/27/1091697827.db2.gz ASKWLZBRYPVJID-CHWSQXEVSA-N 2 0 327.419 2.462 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001439114794 1091760102 /nfs/dbraw/zinc/76/01/02/1091760102.db2.gz OBEVPXFHLNZTBE-WBVHZDCISA-N 2 0 349.523 2.107 10 0 EEAERP Cc1nccnc1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001439125275 1091768125 /nfs/dbraw/zinc/76/81/25/1091768125.db2.gz AHYDXEBXALOBES-CQSZACIVSA-N 2 0 347.507 2.032 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC001439211899 1091854378 /nfs/dbraw/zinc/85/43/78/1091854378.db2.gz CISUOUSDYUGKFP-GUYCJALGSA-N 2 0 339.430 2.432 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001439222889 1091867868 /nfs/dbraw/zinc/86/78/68/1091867868.db2.gz BMKJUMVODDFDAI-FRQCXROJSA-N 2 0 331.504 2.226 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001439340101 1092042204 /nfs/dbraw/zinc/04/22/04/1092042204.db2.gz LVBDYHQFTKXMTD-MAUKXSAKSA-N 2 0 333.476 2.116 10 0 EEAERP COc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001439397634 1092151709 /nfs/dbraw/zinc/15/17/09/1092151709.db2.gz IGDPNKRTOZXJAS-AEFFLSMTSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001446246341 1092365428 /nfs/dbraw/zinc/36/54/28/1092365428.db2.gz AECOAQZSIQQUJP-KSSFIOAISA-N 2 0 345.462 2.393 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CC1 ZINC001446248512 1092370096 /nfs/dbraw/zinc/37/00/96/1092370096.db2.gz XYFRYLWCHMJAQK-QGZVFWFLSA-N 2 0 348.466 2.222 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]Cc2cncs2)CC1 ZINC001446274528 1092424253 /nfs/dbraw/zinc/42/42/53/1092424253.db2.gz JOMXPIZCDIICMH-UHFFFAOYSA-N 2 0 336.505 2.148 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001439806268 1092765305 /nfs/dbraw/zinc/76/53/05/1092765305.db2.gz XMOUKKYHIGSZHY-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CCCC1 ZINC001439818776 1092801884 /nfs/dbraw/zinc/80/18/84/1092801884.db2.gz UBFJCBPDBXLQCL-OAHLLOKOSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001439880678 1092928277 /nfs/dbraw/zinc/92/82/77/1092928277.db2.gz CJBLUFOQINUQIR-FUHWJXTLSA-N 2 0 335.517 2.479 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001440123958 1093184304 /nfs/dbraw/zinc/18/43/04/1093184304.db2.gz NQRLIDLXVNHIOA-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001440137974 1093202524 /nfs/dbraw/zinc/20/25/24/1093202524.db2.gz RNHBDCNRLFKBAK-ZBFHGGJFSA-N 2 0 348.491 2.078 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001440269029 1093380988 /nfs/dbraw/zinc/38/09/88/1093380988.db2.gz VFDKMJWLUIELSL-RBUKOAKNSA-N 2 0 329.488 2.370 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001440363450 1093528216 /nfs/dbraw/zinc/52/82/16/1093528216.db2.gz VWGREJOOYIMGEA-JCNLHEQBSA-N 2 0 335.879 2.420 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001440382151 1093553970 /nfs/dbraw/zinc/55/39/70/1093553970.db2.gz WUAQYHPCVZFMNN-HDJSIYSDSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cnc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)o1 ZINC001448556680 1093600235 /nfs/dbraw/zinc/60/02/35/1093600235.db2.gz BMKHOXMYDVYUQW-HZPDHXFCSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001448620596 1093684642 /nfs/dbraw/zinc/68/46/42/1093684642.db2.gz UGWIDDNVPMRWLE-LJQANCHMSA-N 2 0 329.488 2.417 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CCCF)C2)C1 ZINC001440483588 1093716505 /nfs/dbraw/zinc/71/65/05/1093716505.db2.gz OKBNZNPNQUMEKS-IRXDYDNUSA-N 2 0 327.488 2.248 10 0 EEAERP CCC1([NH2+]C[C@H]2CCCOC2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440528484 1093785901 /nfs/dbraw/zinc/78/59/01/1093785901.db2.gz GVDZEFOINGMRJT-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC001440533593 1093796670 /nfs/dbraw/zinc/79/66/70/1093796670.db2.gz BOCKVAPFDUVYMY-HXUWFJFHSA-N 2 0 344.503 2.236 10 0 EEAERP CC(C)C[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001440573711 1093842108 /nfs/dbraw/zinc/84/21/08/1093842108.db2.gz IFNHGECWCSFLEK-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncccc1C ZINC001448785963 1093865444 /nfs/dbraw/zinc/86/54/44/1093865444.db2.gz YKPFRSDJBMOMAC-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccn(CC)n2)CC1 ZINC001440604389 1093869458 /nfs/dbraw/zinc/86/94/58/1093869458.db2.gz JCZYAYDUXSTWAN-UHFFFAOYSA-N 2 0 349.523 2.106 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001449016910 1094018390 /nfs/dbraw/zinc/01/83/90/1094018390.db2.gz NEJZSBOGQLKSSH-RDJZCZTQSA-N 2 0 333.476 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnoc3C)[C@H]2C1 ZINC001449026418 1094034028 /nfs/dbraw/zinc/03/40/28/1094034028.db2.gz BHARVMFWJDNMMS-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001449065925 1094080770 /nfs/dbraw/zinc/08/07/70/1094080770.db2.gz WKIFGWHBWAQTRX-LSDHHAIUSA-N 2 0 336.480 2.124 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440838862 1094093024 /nfs/dbraw/zinc/09/30/24/1094093024.db2.gz OMSKAGKVVQZHDF-KGLIPLIRSA-N 2 0 325.884 2.317 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)n1 ZINC001449332958 1094284551 /nfs/dbraw/zinc/28/45/51/1094284551.db2.gz YQXYDRBLDVWEIZ-UONOGXRCSA-N 2 0 338.521 2.024 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441163914 1094512591 /nfs/dbraw/zinc/51/25/91/1094512591.db2.gz RYRLEKXDAOBTIV-UONOGXRCSA-N 2 0 343.462 2.343 10 0 EEAERP Cc1ncsc1C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001441244531 1094633223 /nfs/dbraw/zinc/63/32/23/1094633223.db2.gz AWIBGQYZVHXVPI-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC001441405948 1094979973 /nfs/dbraw/zinc/97/99/73/1094979973.db2.gz LLCDEKWFFWWGTE-KKUMJFAQSA-N 2 0 343.462 2.391 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncc(C)c2)C1)[NH+](CC)CC ZINC001441502086 1095185175 /nfs/dbraw/zinc/18/51/75/1095185175.db2.gz ADXRPTZBKLYTHC-FGTMMUONSA-N 2 0 332.492 2.247 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001441515660 1095211960 /nfs/dbraw/zinc/21/19/60/1095211960.db2.gz YMZNNHVJMVFXMS-FHLIZLRMSA-N 2 0 335.467 2.493 10 0 EEAERP CC(C)CC[NH2+]C1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001441728939 1095709558 /nfs/dbraw/zinc/70/95/58/1095709558.db2.gz KRCAYULCIAJHCA-UHFFFAOYSA-N 2 0 349.523 2.121 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](C[C@H]1CCC(F)(F)C1)CC2 ZINC001441862906 1095966599 /nfs/dbraw/zinc/96/65/99/1095966599.db2.gz HHTCQYWGLNEMRS-UXLLHSPISA-N 2 0 343.462 2.487 10 0 EEAERP CN(C)c1ccccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001441922826 1096105076 /nfs/dbraw/zinc/10/50/76/1096105076.db2.gz JLNCOMMEAWFAKV-SJLPKXTDSA-N 2 0 346.519 2.079 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCC1CCCCC1 ZINC001442048963 1096260237 /nfs/dbraw/zinc/26/02/37/1096260237.db2.gz KPTDXPIOJVZDIX-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001442142092 1096389195 /nfs/dbraw/zinc/38/91/95/1096389195.db2.gz GRJJNDMODZFDBW-OAHLLOKOSA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001442226339 1096522981 /nfs/dbraw/zinc/52/29/81/1096522981.db2.gz NXIASNMRWLUBFI-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001442291231 1096606684 /nfs/dbraw/zinc/60/66/84/1096606684.db2.gz HQAMPQAJYNBWAK-WWGRRREGSA-N 2 0 336.480 2.006 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001442295363 1096610783 /nfs/dbraw/zinc/61/07/83/1096610783.db2.gz NCTPYGIWVYNUPU-DLBZAZTESA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)Cc2ccc(C3CC3)cc2)CC1 ZINC001442501450 1096848332 /nfs/dbraw/zinc/84/83/32/1096848332.db2.gz HQYSHTIQXVFKIB-UHFFFAOYSA-N 2 0 329.488 2.454 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccnc1C ZINC001442756602 1097132004 /nfs/dbraw/zinc/13/20/04/1097132004.db2.gz QEYZJFJBCUVPTQ-HOTGVXAUSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001442914808 1097323626 /nfs/dbraw/zinc/32/36/26/1097323626.db2.gz XFGJVUVWIRDIRP-KRWDZBQOSA-N 2 0 342.487 2.448 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cnc(C)s1 ZINC001442953439 1097370300 /nfs/dbraw/zinc/37/03/00/1097370300.db2.gz ORVLESPYVPHQDK-CQSZACIVSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1cncc(C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)c1 ZINC001443036739 1097444992 /nfs/dbraw/zinc/44/49/92/1097444992.db2.gz UEMLUDHQWJRDRB-WMZOPIPTSA-N 2 0 344.503 2.201 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001443203724 1097653719 /nfs/dbraw/zinc/65/37/19/1097653719.db2.gz YNTNNDKJHGCNQU-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001443423386 1097924456 /nfs/dbraw/zinc/92/44/56/1097924456.db2.gz WXRJLSIHDCCTGP-LSDHHAIUSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001444161373 1098709321 /nfs/dbraw/zinc/70/93/21/1098709321.db2.gz VXDAHYRSPHVDEA-HNAYVOBHSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCCCF ZINC001479711145 1098790576 /nfs/dbraw/zinc/79/05/76/1098790576.db2.gz HCOZPXBZSYXNBZ-CVEARBPZSA-N 2 0 325.472 2.334 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2cnc(C)s2)CC[N@@H+]1C ZINC001444315344 1098876044 /nfs/dbraw/zinc/87/60/44/1098876044.db2.gz YILJCSAXMAKUAS-UHOFOFEASA-N 2 0 338.521 2.024 10 0 EEAERP COCc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001479772313 1098945963 /nfs/dbraw/zinc/94/59/63/1098945963.db2.gz ZDNFSGVBTGLVHW-VQIMIIECSA-N 2 0 347.503 2.111 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3Cl)C2)C1 ZINC001480122302 1099686297 /nfs/dbraw/zinc/68/62/97/1099686297.db2.gz BTRAANUEUMOUFV-SJORKVTESA-N 2 0 349.906 2.415 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001444817873 1099745094 /nfs/dbraw/zinc/74/50/94/1099745094.db2.gz NKCVSZQKNFXZDZ-CVEARBPZSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001480207920 1099813557 /nfs/dbraw/zinc/81/35/57/1099813557.db2.gz KZHRYACYFWOZJH-CALCHBBNSA-N 2 0 344.503 2.426 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480462069 1100266418 /nfs/dbraw/zinc/26/64/18/1100266418.db2.gz GINYGDNWUMQFBX-LPHOPBHVSA-N 2 0 329.488 2.240 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496208815 1100751940 /nfs/dbraw/zinc/75/19/40/1100751940.db2.gz YLOFTXHMWVXHSB-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCOC2CCC2)CCCC1 ZINC001495181162 1100854624 /nfs/dbraw/zinc/85/46/24/1100854624.db2.gz ATJBLFPRYIWQJC-KRWDZBQOSA-N 2 0 337.508 2.058 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]C/C=C\Cl ZINC001496397713 1100990572 /nfs/dbraw/zinc/99/05/72/1100990572.db2.gz ZNTUDVJHTSKRSH-URVMGWPKSA-N 2 0 339.911 2.442 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CC3(CCC3)C2)C2CC2)C1 ZINC001495298710 1100998591 /nfs/dbraw/zinc/99/85/91/1100998591.db2.gz JKAMRRCRGHXSPK-APWZRJJASA-N 2 0 333.520 2.393 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001496415204 1101009281 /nfs/dbraw/zinc/00/92/81/1101009281.db2.gz NVRIIZQMVZJRBA-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496416104 1101009921 /nfs/dbraw/zinc/00/99/21/1101009921.db2.gz JDYWNUFCZUOLJY-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001496488861 1101079664 /nfs/dbraw/zinc/07/96/64/1101079664.db2.gz CPEZCYXADBEFAU-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001496488867 1101080136 /nfs/dbraw/zinc/08/01/36/1101080136.db2.gz CPEZCYXADBEFAU-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001496861183 1101624104 /nfs/dbraw/zinc/62/41/04/1101624104.db2.gz FSVPRKUHMMXZPS-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCCF)C1CC[NH+](CC2CC2)CC1 ZINC001496911069 1101708601 /nfs/dbraw/zinc/70/86/01/1101708601.db2.gz YPKKJLOVWXPLCC-MSOLQXFVSA-N 2 0 339.499 2.343 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)sn1 ZINC001496925558 1101727976 /nfs/dbraw/zinc/72/79/76/1101727976.db2.gz UPXZFDXXEAUNLS-ZBFHGGJFSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497207522 1102128108 /nfs/dbraw/zinc/12/81/08/1102128108.db2.gz JLUUNCCPIZXPOD-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149935 1102140704 /nfs/dbraw/zinc/14/07/04/1102140704.db2.gz OZEKFBAYQPBHIX-UONOGXRCSA-N 2 0 331.451 2.200 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001496153509 1102144847 /nfs/dbraw/zinc/14/48/47/1102144847.db2.gz HXTKAFNVTNHSSN-DYVFJYSZSA-N 2 0 341.446 2.284 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cnccc3C)CCC2)CC[N@@H+]1C ZINC001447194275 1102177708 /nfs/dbraw/zinc/17/77/08/1102177708.db2.gz DGCHHDOUYNNROK-ZWKOTPCHSA-N 2 0 344.503 2.249 10 0 EEAERP C[C@@H](CC[NH2+][C@@H](C)c1cc(F)ccc1F)NC(=O)CC[NH+](C)C ZINC001497262630 1102215505 /nfs/dbraw/zinc/21/55/05/1102215505.db2.gz IXZSIQPHCWAIIH-STQMWFEESA-N 2 0 327.419 2.462 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497332664 1102339030 /nfs/dbraw/zinc/33/90/30/1102339030.db2.gz QKNKMRVIBOHBPO-HNNXBMFYSA-N 2 0 344.459 2.343 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001497332616 1102340341 /nfs/dbraw/zinc/34/03/41/1102340341.db2.gz PRJLDPVGYRXXDJ-MAUKXSAKSA-N 2 0 332.492 2.249 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001497404045 1102436857 /nfs/dbraw/zinc/43/68/57/1102436857.db2.gz RZGKLWMQVLECQO-MGPQQGTHSA-N 2 0 340.418 2.387 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001447338440 1102475042 /nfs/dbraw/zinc/47/50/42/1102475042.db2.gz AYWLCBHXPLFUTL-SJLPKXTDSA-N 2 0 348.491 2.280 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cncs1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497600196 1102727810 /nfs/dbraw/zinc/72/78/10/1102727810.db2.gz ZGYOZUYXYGFIAZ-LIMHQNJXSA-N 2 0 348.516 2.312 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497620038 1102760077 /nfs/dbraw/zinc/76/00/77/1102760077.db2.gz IQDQBAYIKXQLPK-PHWHVTFISA-N 2 0 344.503 2.272 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001447532797 1102795965 /nfs/dbraw/zinc/79/59/65/1102795965.db2.gz BOXMHQAXWAVFTK-SUMWQHHRSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001447544132 1102828542 /nfs/dbraw/zinc/82/85/42/1102828542.db2.gz BDDMEAHUWOBGAT-GOEBONIOSA-N 2 0 325.472 2.047 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]C/C=C/c2ccccc2)C1 ZINC001497733631 1102983328 /nfs/dbraw/zinc/98/33/28/1102983328.db2.gz ZFVOSCOJOJFVRB-CGGHBWOMSA-N 2 0 327.472 2.304 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001497750210 1103022492 /nfs/dbraw/zinc/02/24/92/1103022492.db2.gz RFPDZHBEAVCODS-SFAKSCPVSA-N 2 0 339.842 2.193 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001497828189 1103160318 /nfs/dbraw/zinc/16/03/18/1103160318.db2.gz USMBILLXUIHSKZ-MRXNPFEDSA-N 2 0 339.524 2.304 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001447837679 1103418675 /nfs/dbraw/zinc/41/86/75/1103418675.db2.gz CKLQZZFBHUYFLI-JKSUJKDBSA-N 2 0 349.523 2.150 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CC=C(Cl)Cl)C2)C1 ZINC001494054220 1103436917 /nfs/dbraw/zinc/43/69/17/1103436917.db2.gz JEPGSUJZIXSBQA-KBPBESRZSA-N 2 0 348.318 2.475 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001494139498 1103587569 /nfs/dbraw/zinc/58/75/69/1103587569.db2.gz AKTATKKWPQDFLV-MRXNPFEDSA-N 2 0 344.459 2.073 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCc1ccccc1F ZINC001448015753 1103807732 /nfs/dbraw/zinc/80/77/32/1103807732.db2.gz NQMMDUTXNMDDPA-ZMSDIMECSA-N 2 0 335.467 2.145 10 0 EEAERP COc1cc(Cl)ccc1C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001448079510 1103955966 /nfs/dbraw/zinc/95/59/66/1103955966.db2.gz BJHKZWGICRWNJF-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001494633866 1104218148 /nfs/dbraw/zinc/21/81/48/1104218148.db2.gz WIAGAJGJBYJUHA-UHFFFAOYSA-N 2 0 328.460 2.056 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1ccns1)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255635 1104255702 /nfs/dbraw/zinc/25/57/02/1104255702.db2.gz AVNNTJFVLNPTPA-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(COC)cc2)C1 ZINC001494863889 1104469751 /nfs/dbraw/zinc/46/97/51/1104469751.db2.gz OVTYCOWBAWXOSF-LJQANCHMSA-N 2 0 347.503 2.208 10 0 EEAERP CCOC1CC(C[N@@H+]2CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001494925182 1104567780 /nfs/dbraw/zinc/56/77/80/1104567780.db2.gz PCTZDXZDYSBJDH-ADKAHSJRSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001495095009 1104734386 /nfs/dbraw/zinc/73/43/86/1104734386.db2.gz SPUXNVLKKQRTBV-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)no2)C1)[NH+](CC)CC ZINC001480664254 1106843206 /nfs/dbraw/zinc/84/32/06/1106843206.db2.gz XAJLIUSRFSPYOM-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)[NH+](C)C ZINC001498056504 1106854024 /nfs/dbraw/zinc/85/40/24/1106854024.db2.gz XBKQXTSIFQLXMW-ZNMIVQPWSA-N 2 0 333.467 2.492 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001480812778 1107162159 /nfs/dbraw/zinc/16/21/59/1107162159.db2.gz BJXNAISZAZFNKG-CYBMUJFWSA-N 2 0 327.419 2.289 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC001493158811 1107611046 /nfs/dbraw/zinc/61/10/46/1107611046.db2.gz JJRRNABLKPFZJS-HNNXBMFYSA-N 2 0 337.414 2.141 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493233058 1107737275 /nfs/dbraw/zinc/73/72/75/1107737275.db2.gz ILGISSUOSJMRFC-QGZVFWFLSA-N 2 0 346.519 2.403 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)c(C)o1 ZINC001498626069 1107833985 /nfs/dbraw/zinc/83/39/85/1107833985.db2.gz PJLGGMYGMKWHRA-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)s1 ZINC001498636711 1107857686 /nfs/dbraw/zinc/85/76/86/1107857686.db2.gz IIXLZJPVTYBXEI-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC001498819918 1108164010 /nfs/dbraw/zinc/16/40/10/1108164010.db2.gz XNEPHDGEVUKWTM-ZWKOTPCHSA-N 2 0 333.451 2.249 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001498864687 1108243037 /nfs/dbraw/zinc/24/30/37/1108243037.db2.gz SOSUAIXTAPXLAM-QGZVFWFLSA-N 2 0 337.414 2.045 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001498873674 1108256712 /nfs/dbraw/zinc/25/67/12/1108256712.db2.gz JFLFXMBVVXNXCG-ZIAGYGMSSA-N 2 0 335.414 2.298 10 0 EEAERP CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]Cc1ocnc1C ZINC001498892986 1108287223 /nfs/dbraw/zinc/28/72/23/1108287223.db2.gz GIUAZRRRCSOHFA-HZPDHXFCSA-N 2 0 348.491 2.042 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001493763421 1108639319 /nfs/dbraw/zinc/63/93/19/1108639319.db2.gz LPZFSBPCVDWHAI-UHFFFAOYSA-N 2 0 339.842 2.123 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001457658759 1109717654 /nfs/dbraw/zinc/71/76/54/1109717654.db2.gz IOCCRAFGLZGPSK-SFHVURJKSA-N 2 0 331.504 2.448 10 0 EEAERP C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(C[NH+]4CCCC4)o3)C[C@@]2(C)C1 ZINC001470674145 1110509977 /nfs/dbraw/zinc/50/99/77/1110509977.db2.gz KMPWJZOYKLFBSN-RTBURBONSA-N 2 0 331.460 2.289 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001499132385 1112141052 /nfs/dbraw/zinc/14/10/52/1112141052.db2.gz PXYPMMKNRNBHAM-LJQANCHMSA-N 2 0 331.504 2.322 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1Cl ZINC001499923489 1112543009 /nfs/dbraw/zinc/54/30/09/1112543009.db2.gz ZIGUBDOJCROHHZ-MRXNPFEDSA-N 2 0 337.895 2.415 10 0 EEAERP Cc1cc(C[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)sn1 ZINC001499994936 1112570912 /nfs/dbraw/zinc/57/09/12/1112570912.db2.gz XCHIVYFAWWCPIC-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001500162848 1112648112 /nfs/dbraw/zinc/64/81/12/1112648112.db2.gz RXGYKGZIQOYKGU-GOSISDBHSA-N 2 0 327.488 2.392 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001500401897 1112804438 /nfs/dbraw/zinc/80/44/38/1112804438.db2.gz KKAXFWJPABDMQD-QFBILLFUSA-N 2 0 333.451 2.106 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091745 1113196023 /nfs/dbraw/zinc/19/60/23/1113196023.db2.gz QAYLVPNVWZSSJN-UKRRQHHQSA-N 2 0 338.521 2.118 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001501145699 1113214326 /nfs/dbraw/zinc/21/43/26/1113214326.db2.gz FUWJVYJJFOHALY-JWHDQYKWSA-N 2 0 336.307 2.331 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001501152609 1113216843 /nfs/dbraw/zinc/21/68/43/1113216843.db2.gz AJOZNCYLAWGVDF-ZFWWWQNUSA-N 2 0 331.451 2.056 10 0 EEAERP C[C@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001501171802 1113226955 /nfs/dbraw/zinc/22/69/55/1113226955.db2.gz HYLDOFVZPVAGML-RZFLPCETSA-N 2 0 339.499 2.436 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC001501230116 1113253889 /nfs/dbraw/zinc/25/38/89/1113253889.db2.gz SUJXZIIARUXIBO-JTDSTZFVSA-N 2 0 345.462 2.155 10 0 EEAERP Cc1nocc1C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001501427315 1113354867 /nfs/dbraw/zinc/35/48/67/1113354867.db2.gz HAKDEDQDPOTISM-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]C/C=C\Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001501581911 1113390176 /nfs/dbraw/zinc/39/01/76/1113390176.db2.gz NARNCVMCGSQGLT-XOYTVWKISA-N 2 0 339.911 2.443 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001501610563 1113398539 /nfs/dbraw/zinc/39/85/39/1113398539.db2.gz BJPAVJUKINOBNZ-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP CCC/C=C/CCN1CC2(C1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001502415486 1113674545 /nfs/dbraw/zinc/67/45/45/1113674545.db2.gz MHNBTLKSUZSSOZ-AATRIKPKSA-N 2 0 349.519 2.130 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001502798690 1113803608 /nfs/dbraw/zinc/80/36/08/1113803608.db2.gz MECJHWBJIKLPKV-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[NH2+]CC1(O)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001502892071 1113844295 /nfs/dbraw/zinc/84/42/95/1113844295.db2.gz AKWCQXMGRMLSIO-GOSISDBHSA-N 2 0 347.503 2.033 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001505668190 1114119640 /nfs/dbraw/zinc/11/96/40/1114119640.db2.gz UYUOXCURTDCCKC-STQMWFEESA-N 2 0 336.480 2.149 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681038 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ALTGBGJBKJDBBL-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001507105105 1115110909 /nfs/dbraw/zinc/11/09/09/1115110909.db2.gz GFUZSMQLLHDOIK-MRXNPFEDSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001507129520 1115123808 /nfs/dbraw/zinc/12/38/08/1115123808.db2.gz JHAJAMZHVSQDLK-IAGOWNOFSA-N 2 0 327.513 2.112 10 0 EEAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001507146877 1115133299 /nfs/dbraw/zinc/13/32/99/1115133299.db2.gz DRPHBEYDAWFGEP-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCF)[C@@H]2C1 ZINC001507361721 1115222364 /nfs/dbraw/zinc/22/23/64/1115222364.db2.gz CNRRZWRBZWNRAV-RCCFBDPRSA-N 2 0 339.499 2.439 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001507425711 1115262125 /nfs/dbraw/zinc/26/21/25/1115262125.db2.gz CYNZFLNCORDNDG-HOTGVXAUSA-N 2 0 335.517 2.261 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]Cc3ccccc3F)C(C)(C)C2)CC1 ZINC001507442240 1115271327 /nfs/dbraw/zinc/27/13/27/1115271327.db2.gz GRROXONPFFOELU-KRWDZBQOSA-N 2 0 347.478 2.494 10 0 EEAERP CC(C)OCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001507828336 1115353690 /nfs/dbraw/zinc/35/36/90/1115353690.db2.gz OFMYBWSMNRWDGR-ROUUACIJSA-N 2 0 341.540 2.311 10 0 EEAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]C[C@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023732 1115390768 /nfs/dbraw/zinc/39/07/68/1115390768.db2.gz PSBRLTGVWDARLT-CVEARBPZSA-N 2 0 341.540 2.121 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001508066431 1115409241 /nfs/dbraw/zinc/40/92/41/1115409241.db2.gz QHDQTTVIOIKONN-MLVZXCIBSA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@H](C(=O)NCC1=CCN([C@@H](C)c2ncc(C)o2)CC1)[NH+](C)C ZINC001508208019 1115444881 /nfs/dbraw/zinc/44/48/81/1115444881.db2.gz AFRHASGYIMDGKF-GOEBONIOSA-N 2 0 334.464 2.133 10 0 EEAERP CC(C)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CC[N@@H+](C)C(C)C ZINC001509022361 1115716830 /nfs/dbraw/zinc/71/68/30/1115716830.db2.gz NLMKTGSTJDUARR-KRWDZBQOSA-N 2 0 348.539 2.416 10 0 EEAERP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCOC1CCC1 ZINC001567964268 1124207650 /nfs/dbraw/zinc/20/76/50/1124207650.db2.gz HQCLGENUUJFDRN-HNNXBMFYSA-N 2 0 344.459 2.310 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568121086 1124314480 /nfs/dbraw/zinc/31/44/80/1124314480.db2.gz MLTJAVGHPJVYGA-MSOLQXFVSA-N 2 0 333.451 2.379 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001568415754 1124483969 /nfs/dbraw/zinc/48/39/69/1124483969.db2.gz AYGFUULSBLTXLL-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001568501663 1124556890 /nfs/dbraw/zinc/55/68/90/1124556890.db2.gz QEJUXDLMQLNZDH-UHFFFAOYSA-N 2 0 335.414 2.205 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568533454 1124596658 /nfs/dbraw/zinc/59/66/58/1124596658.db2.gz ROWDBMXLPNMEKB-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568646539 1124658338 /nfs/dbraw/zinc/65/83/38/1124658338.db2.gz QRVUDZMMVBTAEM-LPHOPBHVSA-N 2 0 346.519 2.221 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568684649 1124696256 /nfs/dbraw/zinc/69/62/56/1124696256.db2.gz HYSKAJRWCVIHDQ-LSDHHAIUSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)on1 ZINC001568697329 1124711048 /nfs/dbraw/zinc/71/10/48/1124711048.db2.gz KADUPHAHEUPJDC-CQSZACIVSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568708141 1124725030 /nfs/dbraw/zinc/72/50/30/1124725030.db2.gz AUXVCCMXEGCWJE-NEPJUHHUSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568708526 1124725816 /nfs/dbraw/zinc/72/58/16/1124725816.db2.gz JDJDSIZWGWSSIW-GOEBONIOSA-N 2 0 329.444 2.369 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001568713536 1124731662 /nfs/dbraw/zinc/73/16/62/1124731662.db2.gz HEIXSSBALXPPNI-HOCLYGCPSA-N 2 0 348.491 2.411 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001568951219 1124984527 /nfs/dbraw/zinc/98/45/27/1124984527.db2.gz NLPJQGUUZLUXBO-XYBNCVKDSA-N 2 0 331.435 2.245 10 0 EEAERP C[C@@H](C[NH2+]CCCOc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569075604 1125082980 /nfs/dbraw/zinc/08/29/80/1125082980.db2.gz YAYKRTXUTZTXEL-WMZOPIPTSA-N 2 0 333.476 2.034 10 0 EEAERP [NH3+]Cc1cc(Br)cnc1N1CC[NH+](C2CCCC2)CC1 ZINC000052063934 214114936 /nfs/dbraw/zinc/11/49/36/214114936.db2.gz RWUUCRJQXVSOIU-UHFFFAOYSA-N 2 0 339.281 2.367 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000066187216 215020712 /nfs/dbraw/zinc/02/07/12/215020712.db2.gz VMCZCWPPLTVSLI-WMZOPIPTSA-N 2 0 334.508 2.189 10 0 EEAERP CCn1c(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)nc2ccccc21 ZINC000069349859 215383386 /nfs/dbraw/zinc/38/33/86/215383386.db2.gz IOTNPHZHABHTSC-HNNXBMFYSA-N 2 0 330.476 2.239 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000130204877 291072040 /nfs/dbraw/zinc/07/20/40/291072040.db2.gz JAGXIQWGMGNDON-DOTOQJQBSA-N 2 0 334.508 2.129 10 0 EEAERP CSc1ccc([C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)N(C)C)cc1 ZINC000423144486 240383887 /nfs/dbraw/zinc/38/38/87/240383887.db2.gz HFJDTGAMFGSZBX-FHWLQOOXSA-N 2 0 349.544 2.368 10 0 EEAERP CC[NH+]1CCN([C@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000022222717 212283096 /nfs/dbraw/zinc/28/30/96/212283096.db2.gz LVVGUFDBDLGSBG-CQSZACIVSA-N 2 0 330.245 2.226 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456681972 244326052 /nfs/dbraw/zinc/32/60/52/244326052.db2.gz JAMHMIXGIRCIQY-UHFFFAOYSA-N 2 0 345.487 2.374 10 0 EEAERP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000270347084 256126024 /nfs/dbraw/zinc/12/60/24/256126024.db2.gz MXBHZNFFFREOOZ-ROUUACIJSA-N 2 0 330.476 2.215 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000248656441 160355013 /nfs/dbraw/zinc/35/50/13/160355013.db2.gz DBXJBPUFKXCTAW-RBUKOAKNSA-N 2 0 327.472 2.422 10 0 EEAERP [NH3+]CC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000262150421 160441826 /nfs/dbraw/zinc/44/18/26/160441826.db2.gz HRBMQLBZZZMYCD-UHFFFAOYSA-N 2 0 345.487 2.044 10 0 EEAERP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132365321 292399805 /nfs/dbraw/zinc/39/98/05/292399805.db2.gz XSYUKWFZESDWNK-XLIONFOSSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193570739 160183704 /nfs/dbraw/zinc/18/37/04/160183704.db2.gz BUEDIJJVJMPUEX-QGZVFWFLSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194662440 160198434 /nfs/dbraw/zinc/19/84/34/160198434.db2.gz ZSGZNAQPSBDOEF-KRWDZBQOSA-N 2 0 336.524 2.378 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000343545456 161145481 /nfs/dbraw/zinc/14/54/81/161145481.db2.gz SYUXKBWHYFIORF-HXUWFJFHSA-N 2 0 327.472 2.054 10 0 EEAERP CC1=CC[NH+](CCNC(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000345961934 161345613 /nfs/dbraw/zinc/34/56/13/161345613.db2.gz LLGZFQDBPGWLAZ-UHFFFAOYSA-N 2 0 348.491 2.395 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000346146356 161361191 /nfs/dbraw/zinc/36/11/91/161361191.db2.gz IRUCPTSYVVIJLT-KRWDZBQOSA-N 2 0 346.519 2.289 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000360868648 164394007 /nfs/dbraw/zinc/39/40/07/164394007.db2.gz AEDUVQIWXSPVJP-LMCOJAPRSA-N 2 0 332.488 2.132 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)[C@H]2CCC[C@@H]21 ZINC000375804249 167200522 /nfs/dbraw/zinc/20/05/22/167200522.db2.gz HKQRYSUTXRSTSX-KCXAZCMYSA-N 2 0 337.414 2.157 10 0 EEAERP COc1ccc(CNC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)cc1OC ZINC000376017355 167245667 /nfs/dbraw/zinc/24/56/67/167245667.db2.gz CQUYOSOGBXMYIM-UHFFFAOYSA-N 2 0 346.475 2.335 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000341186360 274389700 /nfs/dbraw/zinc/38/97/00/274389700.db2.gz UCEPMZJQQYOCEV-CJNGLKHVSA-N 2 0 336.455 2.169 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnn2ccccc12 ZINC000289527939 275124449 /nfs/dbraw/zinc/12/44/49/275124449.db2.gz VXCDLFHNFROJQK-GOSISDBHSA-N 2 0 329.492 2.182 10 0 EEAERP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291682981 275329682 /nfs/dbraw/zinc/32/96/82/275329682.db2.gz CPEZDYCACCPSHH-QFBILLFUSA-N 2 0 329.488 2.498 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)[C@H](C)C1 ZINC000177127464 276213850 /nfs/dbraw/zinc/21/38/50/276213850.db2.gz XKBVVPGPQKAPEP-CXAGYDPISA-N 2 0 336.455 2.399 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)C(=O)NCC[NH+](C)C ZINC000359697299 279194504 /nfs/dbraw/zinc/19/45/04/279194504.db2.gz SHTMOFOMNRQRQH-BBRMVZONSA-N 2 0 340.899 2.478 10 0 EEAERP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297407880 294236017 /nfs/dbraw/zinc/23/60/17/294236017.db2.gz LODPLXKHXFSVRK-UHFFFAOYSA-N 2 0 329.448 2.254 10 0 EEAERP COc1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423544838 295245762 /nfs/dbraw/zinc/24/57/62/295245762.db2.gz IZSZOVOXTGQRRM-DSJDWBEOSA-N 2 0 329.488 2.466 10 0 EEAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000352154511 298269024 /nfs/dbraw/zinc/26/90/24/298269024.db2.gz PBHZNVQECKHBAC-KLHKWILBSA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)[NH2+]CCC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000168591972 311392272 /nfs/dbraw/zinc/39/22/72/311392272.db2.gz QFNCAIAWZYKNTE-AWEZNQCLSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccccc1CC(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700020 313066544 /nfs/dbraw/zinc/06/65/44/313066544.db2.gz UMAKRWRKBKPKBT-MSOLQXFVSA-N 2 0 329.488 2.070 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000414728726 313070414 /nfs/dbraw/zinc/07/04/14/313070414.db2.gz CSMUEBJWXHLGSV-HOTGVXAUSA-N 2 0 345.491 2.030 10 0 EEAERP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784802 313087975 /nfs/dbraw/zinc/08/79/75/313087975.db2.gz TUGROTVQJUDALJ-OAHLLOKOSA-N 2 0 341.446 2.494 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416838882 313330642 /nfs/dbraw/zinc/33/06/42/313330642.db2.gz JJADVVLKUCSUBG-HZPDHXFCSA-N 2 0 348.516 2.421 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417004968 313391056 /nfs/dbraw/zinc/39/10/56/313391056.db2.gz IJNOTDSRHFVGQR-ZXZQKFIBSA-N 2 0 336.524 2.170 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000417158645 313437697 /nfs/dbraw/zinc/43/76/97/313437697.db2.gz BKZGDDUFAPARSD-YOEHRIQHSA-N 2 0 336.455 2.117 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417469834 313520081 /nfs/dbraw/zinc/52/00/81/313520081.db2.gz QWZOIWHWXJWGMS-HZPDHXFCSA-N 2 0 332.492 2.453 10 0 EEAERP [NH3+][C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418452314 313817778 /nfs/dbraw/zinc/81/77/78/313817778.db2.gz NTXNDFJAWNSSKX-GOSISDBHSA-N 2 0 330.476 2.204 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418579823 313852593 /nfs/dbraw/zinc/85/25/93/313852593.db2.gz RXZOZGABFNKNEG-CRAIPNDOSA-N 2 0 332.492 2.278 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000420978080 314011810 /nfs/dbraw/zinc/01/18/10/314011810.db2.gz ITUDDFNCJCVAQK-FQEVSTJZSA-N 2 0 337.552 2.420 10 0 EEAERP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000545264967 318212150 /nfs/dbraw/zinc/21/21/50/318212150.db2.gz XTGDFHYNSIQHMT-FUHWJXTLSA-N 2 0 327.476 2.341 10 0 EEAERP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000548431237 318388144 /nfs/dbraw/zinc/38/81/44/318388144.db2.gz BIYKMBUUDWKBIK-UHFFFAOYSA-N 2 0 348.495 2.016 10 0 EEAERP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000562815696 318934748 /nfs/dbraw/zinc/93/47/48/318934748.db2.gz LZMLMJUHPCIYEX-UHFFFAOYSA-N 2 0 332.492 2.470 10 0 EEAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000565301399 319170269 /nfs/dbraw/zinc/17/02/69/319170269.db2.gz BLUXQCNBKLWCTA-JTDSTZFVSA-N 2 0 344.503 2.375 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771824 319212555 /nfs/dbraw/zinc/21/25/55/319212555.db2.gz HWHLJTWEKPCIRX-BARLLCKDSA-N 2 0 345.487 2.225 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000569794785 319608210 /nfs/dbraw/zinc/60/82/10/319608210.db2.gz HHCJKAFPXIOUPZ-KSSFIOAISA-N 2 0 330.476 2.380 10 0 EEAERP O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000575129885 320089334 /nfs/dbraw/zinc/08/93/34/320089334.db2.gz CDMOFLMLXMIBHD-HXUWFJFHSA-N 2 0 335.451 2.396 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000575354393 320102950 /nfs/dbraw/zinc/10/29/50/320102950.db2.gz MATJXLKVVQHRIN-IMFGXOCKSA-N 2 0 344.503 2.420 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000578010749 320288649 /nfs/dbraw/zinc/28/86/49/320288649.db2.gz JTFVNSLYOFIDPP-GOSISDBHSA-N 2 0 332.492 2.094 10 0 EEAERP C[C@]1(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000580420606 324059450 /nfs/dbraw/zinc/05/94/50/324059450.db2.gz AWRTZDUMUMXZNY-FQEVSTJZSA-N 2 0 329.488 2.348 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000581833323 324326363 /nfs/dbraw/zinc/32/63/63/324326363.db2.gz JIODEHNWJMSJIH-IEBWSBKVSA-N 2 0 329.488 2.451 10 0 EEAERP CCCC[C@H](C[NH3+])NC(=O)NCCNc1cc(C)nc(C(C)C)n1 ZINC000627080324 451114017 /nfs/dbraw/zinc/11/40/17/451114017.db2.gz PJQVIDSYRSJCID-CQSZACIVSA-N 2 0 336.484 2.137 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000045185687 462566563 /nfs/dbraw/zinc/56/65/63/462566563.db2.gz UXPCSWYMGJCCAH-WMZOPIPTSA-N 2 0 332.492 2.320 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H](c2nccn2C)C(F)(F)F)CC[N@@H+]1C ZINC000579128081 468315763 /nfs/dbraw/zinc/31/57/63/468315763.db2.gz JDWNDOSQWJJLGG-FRRDWIJNSA-N 2 0 346.397 2.397 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553162994 468352225 /nfs/dbraw/zinc/35/22/25/468352225.db2.gz BRLGXMGQEBXWPI-HKUYNNGSSA-N 2 0 329.488 2.309 10 0 EEAERP COc1cccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000553166595 468353254 /nfs/dbraw/zinc/35/32/54/468353254.db2.gz MWLICZSZPZASLU-APWZRJJASA-N 2 0 345.487 2.290 10 0 EEAERP COc1ccc(Cl)cc1C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871549 463449639 /nfs/dbraw/zinc/44/96/39/463449639.db2.gz QBSOCCZJTBPDPT-UHFFFAOYSA-N 2 0 326.868 2.485 10 0 EEAERP C[N@H+](CCn1cccn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862944 463480556 /nfs/dbraw/zinc/48/05/56/463480556.db2.gz XRUJPUKDROWRIX-FQEVSTJZSA-N 2 0 342.487 2.261 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000072844811 463554271 /nfs/dbraw/zinc/55/42/71/463554271.db2.gz IIIYOGMUGKWQEB-UHFFFAOYSA-N 2 0 342.487 2.349 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073639396 463637992 /nfs/dbraw/zinc/63/79/92/463637992.db2.gz MZYUXMTVWAMUSL-GOSISDBHSA-N 2 0 346.519 2.045 10 0 EEAERP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)C[C@@H]3CCCO3)ccn2)CC1 ZINC000170040836 463674196 /nfs/dbraw/zinc/67/41/96/463674196.db2.gz IFGJQNONMXYMPW-WMZOPIPTSA-N 2 0 332.492 2.271 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)NCC1CC[NH2+]CC1 ZINC000579571064 468377805 /nfs/dbraw/zinc/37/78/05/468377805.db2.gz VRNFPJVKURDDNP-UHFFFAOYSA-N 2 0 344.503 2.471 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171903898 463946534 /nfs/dbraw/zinc/94/65/34/463946534.db2.gz UNCMUBXDTAOUGL-IXDOHACOSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)cs1 ZINC000279271401 464086027 /nfs/dbraw/zinc/08/60/27/464086027.db2.gz RSRKWHXNUUYORK-LBPRGKRZSA-N 2 0 344.912 2.285 10 0 EEAERP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1F ZINC000237292548 464299539 /nfs/dbraw/zinc/29/95/39/464299539.db2.gz OWTKMICERCIWAT-WBVHZDCISA-N 2 0 349.450 2.042 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000237332000 464306010 /nfs/dbraw/zinc/30/60/10/464306010.db2.gz FISACOZHCHKBGP-BZSNNMDCSA-N 2 0 331.460 2.073 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000245615059 464499031 /nfs/dbraw/zinc/49/90/31/464499031.db2.gz CTKQBRVUXNQROU-HYEGPXJVSA-N 2 0 342.487 2.356 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245661794 464502684 /nfs/dbraw/zinc/50/26/84/464502684.db2.gz PYJGGCITLATSMC-YSHGAJCASA-N 2 0 344.503 2.460 10 0 EEAERP CC(C)n1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182609050 464692467 /nfs/dbraw/zinc/69/24/67/464692467.db2.gz JCHGGKDEGSMCLC-DFNIBXOVSA-N 2 0 331.508 2.207 10 0 EEAERP CCOC(=O)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000192762352 464991936 /nfs/dbraw/zinc/99/19/36/464991936.db2.gz HTFNVGWZHISRFJ-UHFFFAOYSA-N 2 0 327.513 2.066 10 0 EEAERP Cc1ncc2n1CC[C@H](C(=O)NCc1ccc(Cn3ccnc3)cc1)C2 ZINC000351727259 465321295 /nfs/dbraw/zinc/32/12/95/465321295.db2.gz KVYOOSOFJBEIHI-SFHVURJKSA-N 2 0 349.438 2.315 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000348193926 465484038 /nfs/dbraw/zinc/48/40/38/465484038.db2.gz FLHFCKGEANWSMU-QBUWPKIASA-N 2 0 348.535 2.375 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCOC3)cn2)CC1 ZINC000356829635 465561425 /nfs/dbraw/zinc/56/14/25/465561425.db2.gz ADXGZBNBGOIRLV-FUHWJXTLSA-N 2 0 332.492 2.128 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000340088210 465755682 /nfs/dbraw/zinc/75/56/82/465755682.db2.gz KIWKAJHGJMXEAE-QZTJIDSGSA-N 2 0 332.492 2.463 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000340143361 465809066 /nfs/dbraw/zinc/80/90/66/465809066.db2.gz CRMFXWCLKZBHSF-AKHDSKFASA-N 2 0 342.487 2.358 10 0 EEAERP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000348866693 465848378 /nfs/dbraw/zinc/84/83/78/465848378.db2.gz ZBWVISZXYNEHMZ-YJBOKZPZSA-N 2 0 327.472 2.176 10 0 EEAERP CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349704984 466198999 /nfs/dbraw/zinc/19/89/99/466198999.db2.gz XGRVAIVFVMKLCL-MJGOQNOKSA-N 2 0 344.503 2.037 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303053547 466220228 /nfs/dbraw/zinc/22/02/28/466220228.db2.gz YQBIWRWIQPKBPB-MWDXBVQZSA-N 2 0 326.529 2.382 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC000372213449 466229651 /nfs/dbraw/zinc/22/96/51/466229651.db2.gz WKVOHFAYEMWPKM-FGTMMUONSA-N 2 0 348.466 2.354 10 0 EEAERP C[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000372267577 466260214 /nfs/dbraw/zinc/26/02/14/466260214.db2.gz SBFGVAXPGSFJRS-RTBURBONSA-N 2 0 344.503 2.415 10 0 EEAERP C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCSC[C@H]2C)CC1 ZINC000349873460 466286440 /nfs/dbraw/zinc/28/64/40/466286440.db2.gz CMRCVGUQAKJMDN-IAGOWNOFSA-N 2 0 347.528 2.329 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310100034 466510020 /nfs/dbraw/zinc/51/00/20/466510020.db2.gz BBNNKFPTSVRVGE-LWYYNNOASA-N 3 0 331.504 2.241 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000368442059 466636597 /nfs/dbraw/zinc/63/65/97/466636597.db2.gz NPTQGJODELPBBG-VYMRPNJYSA-N 2 0 336.524 2.423 10 0 EEAERP CC[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423107574 466693072 /nfs/dbraw/zinc/69/30/72/466693072.db2.gz KYCMYBWGLBBRGO-GJZGRUSLSA-N 2 0 338.883 2.393 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417037744 466761861 /nfs/dbraw/zinc/76/18/61/466761861.db2.gz ILKICLJMGPCJPE-OKZBNKHCSA-N 2 0 336.524 2.282 10 0 EEAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000668477181 472139808 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336.524 2.328 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000626941992 469763662 /nfs/dbraw/zinc/76/36/62/469763662.db2.gz IPERHPOLGDAAKM-ZWKOTPCHSA-N 2 0 348.466 2.230 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000626984539 469778348 /nfs/dbraw/zinc/77/83/48/469778348.db2.gz HWERLJGCVUMIBS-NHIYQJMISA-N 2 0 336.505 2.181 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627015513 469790837 /nfs/dbraw/zinc/79/08/37/469790837.db2.gz SLFOFJOAAVJVQO-JQHSSLGASA-N 2 0 332.492 2.193 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627073754 469807220 /nfs/dbraw/zinc/80/72/20/469807220.db2.gz CEYPEFXADYGTKY-RISCZKNCSA-N 2 0 345.274 2.257 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131435 469821027 /nfs/dbraw/zinc/82/10/27/469821027.db2.gz DJZGJXJDRSECCY-HNNXBMFYSA-N 2 0 336.505 2.106 10 0 EEAERP 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0 333.476 2.144 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638835035 470299131 /nfs/dbraw/zinc/29/91/31/470299131.db2.gz JUVGIEHLLCENSH-PSBWJHGTSA-N 2 0 329.488 2.259 10 0 EEAERP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)[nH]1 ZINC000647001693 470801481 /nfs/dbraw/zinc/80/14/81/470801481.db2.gz PAYIPTRUZRUGOP-CABCVRRESA-N 2 0 342.447 2.167 10 0 EEAERP C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000647325423 470882448 /nfs/dbraw/zinc/88/24/48/470882448.db2.gz FVWOYYLETMQYKQ-OAHLLOKOSA-N 2 0 331.464 2.039 10 0 EEAERP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650747406 470957410 /nfs/dbraw/zinc/95/74/10/470957410.db2.gz ZOENWGHXIMVXLH-LJQANCHMSA-N 2 0 331.504 2.341 10 0 EEAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000638119671 470973173 /nfs/dbraw/zinc/97/31/73/470973173.db2.gz BFELVZACCMGXCW-RNIPGJKVSA-N 2 0 345.487 2.004 10 0 EEAERP 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C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000658106308 471266360 /nfs/dbraw/zinc/26/63/60/471266360.db2.gz BDWNGUVNCYILKH-HOTGVXAUSA-N 2 0 346.519 2.494 10 0 EEAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135489 471269653 /nfs/dbraw/zinc/26/96/53/471269653.db2.gz DYSPQUARSNHVNN-MJGOQNOKSA-N 2 0 340.471 2.154 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243311 471289916 /nfs/dbraw/zinc/28/99/16/471289916.db2.gz WMHHGZHHBRBILT-FJIDUMEYSA-N 2 0 339.524 2.111 10 0 EEAERP CC[NH2+]Cc1cccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000659020067 471469726 /nfs/dbraw/zinc/46/97/26/471469726.db2.gz UCTNGHMYJVIQHQ-GOSISDBHSA-N 2 0 348.491 2.371 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659045800 471486527 /nfs/dbraw/zinc/48/65/27/471486527.db2.gz YEXPMVWZGSFWBB-DAWZGUTISA-N 2 0 346.475 2.342 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000655806100 471489132 /nfs/dbraw/zinc/48/91/32/471489132.db2.gz PFBUCLONBMEBTN-IOASZLSFSA-N 2 0 325.478 2.049 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655917463 471538433 /nfs/dbraw/zinc/53/84/33/471538433.db2.gz RTLZXJPEWVFGIA-RYUDHWBXSA-N 2 0 338.418 2.076 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000659353559 471589778 /nfs/dbraw/zinc/58/97/78/471589778.db2.gz QFCPKFHGVRDUOX-RDGPPVDQSA-N 2 0 345.487 2.035 10 0 EEAERP [NH3+]C[C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccc(F)cc1 ZINC000659365043 471593663 /nfs/dbraw/zinc/59/36/63/471593663.db2.gz DTQFXJALUXTXAS-QZTJIDSGSA-N 2 0 343.402 2.168 10 0 EEAERP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381337 471598761 /nfs/dbraw/zinc/59/87/61/471598761.db2.gz KEYROKWVWDITNX-GOSISDBHSA-N 2 0 329.488 2.403 10 0 EEAERP [NH3+]C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000656196416 471629672 /nfs/dbraw/zinc/62/96/72/471629672.db2.gz RZYVORNSIGCGSU-HNNXBMFYSA-N 2 0 331.382 2.140 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000659467487 471642805 /nfs/dbraw/zinc/64/28/05/471642805.db2.gz NOHBNAYPHWZOAU-DOTOQJQBSA-N 2 0 338.540 2.384 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659577939 471684049 /nfs/dbraw/zinc/68/40/49/471684049.db2.gz AFTHZZRTPCOSHN-BHIYHBOVSA-N 2 0 344.503 2.115 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000664909873 471895370 /nfs/dbraw/zinc/89/53/70/471895370.db2.gz BICLBSFBVVVRAD-NZSAHSFTSA-N 2 0 344.503 2.385 10 0 EEAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000665234858 471975698 /nfs/dbraw/zinc/97/56/98/471975698.db2.gz KZZGTZCMWGHLSR-ARFHVFGLSA-N 2 0 328.522 2.102 10 0 EEAERP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249311 472041216 /nfs/dbraw/zinc/04/12/16/472041216.db2.gz SUYGPUKBMRAVCC-WBVHZDCISA-N 2 0 332.444 2.362 10 0 EEAERP C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249159 472041591 /nfs/dbraw/zinc/04/15/91/472041591.db2.gz RBPOTJFDDRRUEE-JTQLQIEISA-N 2 0 331.279 2.463 10 0 EEAERP C[NH+](C)CCCOC1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662490902 472127033 /nfs/dbraw/zinc/12/70/33/472127033.db2.gz MTDVCPYBPHQKJH-LJQANCHMSA-N 2 0 345.487 2.180 10 0 EEAERP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662717101 472220049 /nfs/dbraw/zinc/22/00/49/472220049.db2.gz XFBCDZXWKIPRNJ-MOPGFXCFSA-N 2 0 341.499 2.405 10 0 EEAERP C[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758397 472238714 /nfs/dbraw/zinc/23/87/14/472238714.db2.gz OGMQGYRXMKBVER-MAUKXSAKSA-N 2 0 329.488 2.483 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000668784419 472267052 /nfs/dbraw/zinc/26/70/52/472267052.db2.gz CIZPVJPWQAQFEP-INIZCTEOSA-N 3 0 334.489 2.476 10 0 EEAERP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000684428695 485879943 /nfs/dbraw/zinc/87/99/43/485879943.db2.gz CWYJNQSEHAGYCK-UYAOXDASSA-N 2 0 348.487 2.397 10 0 EEAERP C[C@@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C[NH+]1CCCC1 ZINC000674988366 485890557 /nfs/dbraw/zinc/89/05/57/485890557.db2.gz NSZGSWZQGHLEOS-AWEZNQCLSA-N 2 0 328.420 2.121 10 0 EEAERP CN(C(=O)NCCC1(F)CCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673196391 486291978 /nfs/dbraw/zinc/29/19/78/486291978.db2.gz FZRFQIPSLMZYGX-MRXNPFEDSA-N 2 0 340.487 2.079 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000678278024 486608209 /nfs/dbraw/zinc/60/82/09/486608209.db2.gz SFLQCTWQAMGQKD-WMLDXEAASA-N 2 0 339.505 2.220 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+]1CCCC1 ZINC000236663826 535102431 /nfs/dbraw/zinc/10/24/31/535102431.db2.gz XREWBOFZTSTLBU-JKSUJKDBSA-N 2 0 327.538 2.098 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000730731628 577052674 /nfs/dbraw/zinc/05/26/74/577052674.db2.gz IDJUTJWHDBRJOU-HRCADAONSA-N 2 0 326.554 2.198 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000753533337 577789407 /nfs/dbraw/zinc/78/94/07/577789407.db2.gz UQFNFMJTZDKJTP-OAHLLOKOSA-N 2 0 328.416 2.161 10 0 EEAERP CN1CCC([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000090971302 676813883 /nfs/dbraw/zinc/81/38/83/676813883.db2.gz XMGXIGOTFDSBII-UHFFFAOYSA-N 2 0 342.531 2.402 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000902789185 694181273 /nfs/dbraw/zinc/18/12/73/694181273.db2.gz DESRDZFJLLXCMU-ZWKOTPCHSA-N 2 0 341.503 2.406 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323438841 692901950 /nfs/dbraw/zinc/90/19/50/692901950.db2.gz CFQCPKHQUJALPC-RTBURBONSA-N 2 0 329.488 2.486 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000924642880 693037485 /nfs/dbraw/zinc/03/74/85/693037485.db2.gz MOPAUMONTSRVBG-RBUKOAKNSA-N 2 0 347.503 2.106 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2C1 ZINC001485656395 1191874690 /nfs/dbraw/zinc/87/46/90/1191874690.db2.gz CMWQEPMRRCKEJL-QLFBSQMISA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485714722 1191905923 /nfs/dbraw/zinc/90/59/23/1191905923.db2.gz LVJXBJOPLBQPSD-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001485768037 1191942091 /nfs/dbraw/zinc/94/20/91/1191942091.db2.gz XRVSTWNAZSPAAS-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813837 1191977869 /nfs/dbraw/zinc/97/78/69/1191977869.db2.gz OHEFPSBZAUNJKD-MOPGFXCFSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865870 1176139100 /nfs/dbraw/zinc/13/91/00/1176139100.db2.gz QXOIZWYBYXDIRZ-KSSFIOAISA-N 2 0 333.451 2.277 10 0 EEAERP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@@H]1CC1(Cl)Cl ZINC001266293369 1176145954 /nfs/dbraw/zinc/14/59/54/1176145954.db2.gz UYDFMXAQQWSZOC-CYBMUJFWSA-N 2 0 348.318 2.247 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC001266328186 1176308192 /nfs/dbraw/zinc/30/81/92/1176308192.db2.gz VZIIZRSXEIKOBB-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001670456747 1176798581 /nfs/dbraw/zinc/79/85/81/1176798581.db2.gz NKQWQPNUGQWBDO-OALUTQOASA-N 2 0 329.488 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1ccc(C)cc1 ZINC001266718336 1177268207 /nfs/dbraw/zinc/26/82/07/1177268207.db2.gz LWQGFWQDLHMCML-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CN(CC[NH2+]Cc1sccc1Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001266726373 1177312899 /nfs/dbraw/zinc/31/28/99/1177312899.db2.gz SNCVDGIFYFQFRN-UHFFFAOYSA-N 2 0 329.897 2.434 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)n1 ZINC001266741105 1177333287 /nfs/dbraw/zinc/33/32/87/1177333287.db2.gz KDYSEDIPZKQZGE-HUUCEWRRSA-N 2 0 336.505 2.016 10 0 EEAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001266759852 1177367841 /nfs/dbraw/zinc/36/78/41/1177367841.db2.gz JWIGHCXPQFIZSG-UHFFFAOYSA-N 2 0 329.488 2.480 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001266766948 1177382189 /nfs/dbraw/zinc/38/21/89/1177382189.db2.gz JPRKXAYZHWIVKY-CQSZACIVSA-N 2 0 337.430 2.499 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001266950203 1177876045 /nfs/dbraw/zinc/87/60/45/1177876045.db2.gz JBXNWSOKMUPVNC-QGZVFWFLSA-N 2 0 345.487 2.097 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC[C@H]2CCCCO2)C1 ZINC001480904624 1177881313 /nfs/dbraw/zinc/88/13/13/1177881313.db2.gz JLMCSNYDPMUTRX-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cccc(C[NH2+]CCN(C)C(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001691360130 1177967258 /nfs/dbraw/zinc/96/72/58/1177967258.db2.gz PCOROUMOBGPXDW-UHFFFAOYSA-N 2 0 329.488 2.419 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCCCOC)C1 ZINC001267103935 1178250220 /nfs/dbraw/zinc/25/02/20/1178250220.db2.gz IWGSIJXGMQRZNY-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)CCC1=CCCCC1 ZINC001480930447 1178684623 /nfs/dbraw/zinc/68/46/23/1178684623.db2.gz PVFSOQKJBNHTSE-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)c2ccccc2CC[NH+](C)C)O1 ZINC001267409615 1178971410 /nfs/dbraw/zinc/97/14/10/1178971410.db2.gz UFEJHYHRWJFSTQ-WMZOPIPTSA-N 2 0 347.503 2.020 10 0 EEAERP C[C@@H](NCC(F)(F)C(F)F)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267491563 1179164927 /nfs/dbraw/zinc/16/49/27/1179164927.db2.gz JXWXXMYEXBUVDP-LLVKDONJSA-N 2 0 341.393 2.055 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267670840 1180130807 /nfs/dbraw/zinc/13/08/07/1180130807.db2.gz POAZPQKCHMNHRA-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001267775942 1180499952 /nfs/dbraw/zinc/49/99/52/1180499952.db2.gz AMABTRYTRTUIJO-GOSISDBHSA-N 2 0 347.503 2.460 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267778690 1180512977 /nfs/dbraw/zinc/51/29/77/1180512977.db2.gz FVKJYJFCUSCISK-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]([NH2+]Cc1ccon1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001481340958 1181072170 /nfs/dbraw/zinc/07/21/70/1181072170.db2.gz WAXGVCVBGZVNSB-HNNXBMFYSA-N 2 0 336.480 2.123 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)C)c1 ZINC001481350877 1181094438 /nfs/dbraw/zinc/09/44/38/1181094438.db2.gz RIVDFLXKSWGHIZ-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cncs2)C1 ZINC001481502896 1181580287 /nfs/dbraw/zinc/58/02/87/1181580287.db2.gz DNMIRQOOHIAVNG-OAHLLOKOSA-N 2 0 338.521 2.155 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccns1 ZINC001268140038 1181800328 /nfs/dbraw/zinc/80/03/28/1181800328.db2.gz HMPKEWNKEOSMKP-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(Cc1ncc[nH]1)N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001268287539 1182166517 /nfs/dbraw/zinc/16/65/17/1182166517.db2.gz HCXCWERIBMAEAN-QWRGUYRKSA-N 2 0 331.247 2.146 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1C ZINC001268370511 1182358236 /nfs/dbraw/zinc/35/82/36/1182358236.db2.gz JVFUVUBASJXWAH-CRAIPNDOSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268391936 1182456646 /nfs/dbraw/zinc/45/66/46/1182456646.db2.gz FCEKHBMRYPMLES-WBMJQRKESA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268427373 1182596100 /nfs/dbraw/zinc/59/61/00/1182596100.db2.gz WNILCEOZFKNOSS-VQIMIIECSA-N 2 0 347.503 2.415 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268461728 1182761375 /nfs/dbraw/zinc/76/13/75/1182761375.db2.gz JJBZHAYLJWQAMC-CQSZACIVSA-N 2 0 337.430 2.497 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001481850561 1182800511 /nfs/dbraw/zinc/80/05/11/1182800511.db2.gz NMOTWMMDNCGPAJ-RDTXWAMCSA-N 2 0 335.467 2.460 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCOC1CCCCCC1 ZINC001268523509 1183177173 /nfs/dbraw/zinc/17/71/73/1183177173.db2.gz RAQDYRVJLHXUHP-MJRGOJFPSA-N 2 0 337.508 2.082 10 0 EEAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001482033358 1183179192 /nfs/dbraw/zinc/17/91/92/1183179192.db2.gz IAXSREZIXFZPJQ-UHFFFAOYSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001268596228 1183443678 /nfs/dbraw/zinc/44/36/78/1183443678.db2.gz MGVMAAONEHPZQQ-SHCNBLLESA-N 2 0 330.476 2.107 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001482167810 1183495442 /nfs/dbraw/zinc/49/54/42/1183495442.db2.gz JACSNRJRZPDEFJ-INIZCTEOSA-N 2 0 329.488 2.113 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001482173206 1183500057 /nfs/dbraw/zinc/50/00/57/1183500057.db2.gz HLRKBYZWOHWTMQ-BBRMVZONSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001482173959 1183502932 /nfs/dbraw/zinc/50/29/32/1183502932.db2.gz UAYKLVGYIHCOSF-ZBFHGGJFSA-N 2 0 338.521 2.105 10 0 EEAERP C[C@H](C[NH2+]CCCCC1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268651497 1183580278 /nfs/dbraw/zinc/58/02/78/1183580278.db2.gz UCAGWDGKUOMLQK-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268706243 1183627422 /nfs/dbraw/zinc/62/74/22/1183627422.db2.gz ALFFCIKLRMWBDS-ROUUACIJSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001268821962 1183740981 /nfs/dbraw/zinc/74/09/81/1183740981.db2.gz IIFNWQUDYKDDJI-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1nc2ccccc2o1 ZINC001268836997 1183751086 /nfs/dbraw/zinc/75/10/86/1183751086.db2.gz ZWSDKBYXNIVOIQ-AWEZNQCLSA-N 2 0 332.448 2.279 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCc1ccccc1F)C1CC1 ZINC001269083581 1183946054 /nfs/dbraw/zinc/94/60/54/1183946054.db2.gz FOWNFQXKFBPAGO-RTBURBONSA-N 2 0 347.478 2.337 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)ns2)CCCC1)[NH+](C)C ZINC001482229500 1184355311 /nfs/dbraw/zinc/35/53/11/1184355311.db2.gz BPKFPFDNCWBRCA-HNNXBMFYSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001270084401 1184835415 /nfs/dbraw/zinc/83/54/15/1184835415.db2.gz YKUYCVMKUKTSKI-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270256437 1184964301 /nfs/dbraw/zinc/96/43/01/1184964301.db2.gz YMZSDZYUNTWLJW-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737994 1185356149 /nfs/dbraw/zinc/35/61/49/1185356149.db2.gz XTBZRCLQMTVKJA-WMZOPIPTSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737992 1185356255 /nfs/dbraw/zinc/35/62/55/1185356255.db2.gz XTBZRCLQMTVKJA-FUHWJXTLSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482330638 1185414156 /nfs/dbraw/zinc/41/41/56/1185414156.db2.gz KXZGAOFXFFAPKH-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]cnc2C)c1 ZINC001482358629 1185506450 /nfs/dbraw/zinc/50/64/50/1185506450.db2.gz QKUBMMONKATHNR-KBPBESRZSA-N 2 0 344.459 2.467 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)ccc1C ZINC001482367955 1185528368 /nfs/dbraw/zinc/52/83/68/1185528368.db2.gz CLLBCEFRTUPFAP-INIZCTEOSA-N 2 0 335.492 2.280 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)o1 ZINC001482460602 1185924813 /nfs/dbraw/zinc/92/48/13/1185924813.db2.gz KGXHLIZDCZOMLC-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001271577978 1186319697 /nfs/dbraw/zinc/31/96/97/1186319697.db2.gz YUKDHVDFIOCYPF-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832075 1187752430 /nfs/dbraw/zinc/75/24/30/1187752430.db2.gz UCERKFIJTDSICB-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482864736 1187784873 /nfs/dbraw/zinc/78/48/73/1187784873.db2.gz CMIVFULYJFYEFQ-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cnc(C)s1 ZINC001483015052 1187999679 /nfs/dbraw/zinc/99/96/79/1187999679.db2.gz CQKLYVPLDMMSNP-YIEVGGLXSA-N 2 0 336.505 2.088 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001483022135 1188011397 /nfs/dbraw/zinc/01/13/97/1188011397.db2.gz RZGJOFFLIDRPOQ-GWQWAINWSA-N 2 0 329.435 2.168 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001483060497 1188354872 /nfs/dbraw/zinc/35/48/72/1188354872.db2.gz LLQBXIZHHHKPKU-UIZHIOIMSA-N 2 0 345.487 2.360 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C)sn1 ZINC001483061774 1188368166 /nfs/dbraw/zinc/36/81/66/1188368166.db2.gz XWYLWZQJWRYESP-VOTSOKGWSA-N 2 0 338.521 2.191 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001483092923 1188461030 /nfs/dbraw/zinc/46/10/30/1188461030.db2.gz LAWFOCRATUUSAS-BAABZTOOSA-N 2 0 339.842 2.193 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001483094185 1188462052 /nfs/dbraw/zinc/46/20/52/1188462052.db2.gz YXFHMSWRBATXRC-BAHPRDJBSA-N 2 0 349.906 2.486 10 0 EEAERP Cc1conc1C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001409441060 1189678421 /nfs/dbraw/zinc/67/84/21/1189678421.db2.gz KATGSNFROCBUNR-UHFFFAOYSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001485944304 1193653962 /nfs/dbraw/zinc/65/39/62/1193653962.db2.gz MDGVZSCYQLATFL-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001409648134 1190147281 /nfs/dbraw/zinc/14/72/81/1190147281.db2.gz PZKXTODXVWXNAT-MAUKXSAKSA-N 2 0 327.472 2.206 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001409648149 1190147325 /nfs/dbraw/zinc/14/73/25/1190147325.db2.gz PZKXTODXVWXNAT-QAPCUYQASA-N 2 0 327.472 2.206 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001485962148 1193660163 /nfs/dbraw/zinc/66/01/63/1193660163.db2.gz VQMJWXQRUXIBNJ-GDBMZVCRSA-N 2 0 338.521 2.262 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)cc1F ZINC001409685190 1190186053 /nfs/dbraw/zinc/18/60/53/1190186053.db2.gz LGJUIEXWDQFXQY-AWEZNQCLSA-N 2 0 339.455 2.111 10 0 EEAERP C[C@@H](C[NH2+]CCCC1CCOCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483254858 1190282627 /nfs/dbraw/zinc/28/26/27/1190282627.db2.gz JVHMZTJUDWVCOD-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001483296691 1190319300 /nfs/dbraw/zinc/31/93/00/1190319300.db2.gz OTUVHTRMXFIFEO-DOTOQJQBSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1)NC(=O)COC1CC[NH+](C)CC1 ZINC001483405417 1190450122 /nfs/dbraw/zinc/45/01/22/1190450122.db2.gz YEKLFJKXTBWHRY-IAGOWNOFSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]Cc2ncc(C)s2)cn1 ZINC001483475335 1190496927 /nfs/dbraw/zinc/49/69/27/1190496927.db2.gz YWGCJOBLCYUXFR-UHFFFAOYSA-N 2 0 349.504 2.330 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001483489538 1190508585 /nfs/dbraw/zinc/50/85/85/1190508585.db2.gz CTSBKHGXRXXRLZ-UHFFFAOYSA-N 2 0 336.480 2.078 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483502089 1190517411 /nfs/dbraw/zinc/51/74/11/1190517411.db2.gz BGPOEVRVJMWONN-HNNXBMFYSA-N 2 0 336.480 2.078 10 0 EEAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001272323670 1190761416 /nfs/dbraw/zinc/76/14/16/1190761416.db2.gz RWTUDBGEXZKNBB-STQMWFEESA-N 2 0 346.302 2.276 10 0 EEAERP CCCOc1cccc(CN2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001483701623 1190775759 /nfs/dbraw/zinc/77/57/59/1190775759.db2.gz IAZAECGTPZPVQV-GOSISDBHSA-N 2 0 345.487 2.262 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001409904988 1190992772 /nfs/dbraw/zinc/99/27/72/1190992772.db2.gz CGWAMDQVPLBMAL-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC001483763418 1190995450 /nfs/dbraw/zinc/99/54/50/1190995450.db2.gz DUPHURDNXBJRDX-UHFFFAOYSA-N 2 0 343.393 2.396 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483811005 1191055795 /nfs/dbraw/zinc/05/57/95/1191055795.db2.gz BENYOELORHEEMI-FGTMMUONSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483915101 1191114792 /nfs/dbraw/zinc/11/47/92/1191114792.db2.gz DMSCJAMATUMAQS-OLZOCXBDSA-N 2 0 333.398 2.004 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484125023 1191223664 /nfs/dbraw/zinc/22/36/64/1191223664.db2.gz LFIRSPBONIDLSJ-UZLBHIALSA-N 2 0 347.478 2.414 10 0 EEAERP COCCC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001484147308 1191236216 /nfs/dbraw/zinc/23/62/16/1191236216.db2.gz PNPXNKAWDHPLRI-UHFFFAOYSA-N 2 0 339.524 2.117 10 0 EEAERP Cc1cc(C)c(C(=O)NCC2([NH2+]CCCF)CCOCC2)c(C)n1 ZINC001484183562 1191263372 /nfs/dbraw/zinc/26/33/72/1191263372.db2.gz JAKCJCXFKQEFFB-UHFFFAOYSA-N 2 0 337.439 2.235 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001484465805 1191369883 /nfs/dbraw/zinc/36/98/83/1191369883.db2.gz PXROCEBERMRREA-RBUKOAKNSA-N 2 0 344.503 2.379 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001484571979 1191424747 /nfs/dbraw/zinc/42/47/47/1191424747.db2.gz PKXADRFDXDCRFR-SAABIXHNSA-N 2 0 347.503 2.412 10 0 EEAERP CCC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCOCC1 ZINC001484871791 1191556636 /nfs/dbraw/zinc/55/66/36/1191556636.db2.gz HBTYDPVSDMVVCS-UHFFFAOYSA-N 2 0 333.476 2.027 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cnc(C)o2)[C@H](C)C1 ZINC001484985772 1191602681 /nfs/dbraw/zinc/60/26/81/1191602681.db2.gz KOWMJRJCWNUCFD-GDBMZVCRSA-N 2 0 336.480 2.184 10 0 EEAERP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001484977186 1191604546 /nfs/dbraw/zinc/60/45/46/1191604546.db2.gz GBQDOYVGXSDSIO-CVEARBPZSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CCC[C@@H]1CCOC1 ZINC001485080929 1191650155 /nfs/dbraw/zinc/65/01/55/1191650155.db2.gz XQVKLVLUQWALPR-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001485102812 1191652512 /nfs/dbraw/zinc/65/25/12/1191652512.db2.gz STEKRLNCKKXDKU-JTTJXQCZSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167144 1191677140 /nfs/dbraw/zinc/67/71/40/1191677140.db2.gz UNVXETFEMUPNLT-QWHCGFSZSA-N 2 0 336.505 2.063 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001485215609 1191688605 /nfs/dbraw/zinc/68/86/05/1191688605.db2.gz MLWLOEXUAMEQNY-HUUCEWRRSA-N 2 0 349.906 2.461 10 0 EEAERP Cc1cncc(C[N@H+]2CCCCC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001485482666 1191809461 /nfs/dbraw/zinc/80/94/61/1191809461.db2.gz QFLXLLYFYXTNDX-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001486210763 1193750705 /nfs/dbraw/zinc/75/07/05/1193750705.db2.gz PTAACLOKGOTZKG-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001486214147 1193753515 /nfs/dbraw/zinc/75/35/15/1193753515.db2.gz GDGUIHTVUOIVMC-QYNSDQQJSA-N 2 0 327.900 2.345 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCCC(F)(F)F)C(C)(C)C2)C1 ZINC001486248788 1193775548 /nfs/dbraw/zinc/77/55/48/1193775548.db2.gz GNHINVZSCHIOQD-ZIAGYGMSSA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+][C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC001486416626 1193946720 /nfs/dbraw/zinc/94/67/20/1193946720.db2.gz KHLFQYOBFTWLHC-NVXWUHKLSA-N 2 0 349.523 2.308 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001273002472 1194309483 /nfs/dbraw/zinc/30/94/83/1194309483.db2.gz VRNVAALCUMBZOM-RDTXWAMCSA-N 2 0 346.475 2.398 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001410028548 1197464919 /nfs/dbraw/zinc/46/49/19/1197464919.db2.gz MWXXOXPZWACDKZ-QGZVFWFLSA-N 2 0 335.467 2.412 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3nocc3C)C[C@H]2C1 ZINC001410183723 1197591438 /nfs/dbraw/zinc/59/14/38/1197591438.db2.gz MAGLQKJLUSHMHH-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCC[C@H]2CCOC2)CC1 ZINC001410254404 1197638907 /nfs/dbraw/zinc/63/89/07/1197638907.db2.gz TXVKJCIKHLSNGT-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001410385262 1197785684 /nfs/dbraw/zinc/78/56/84/1197785684.db2.gz RNPPXNCJPPKCEC-YQVWRLOYSA-N 2 0 331.504 2.314 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)[C@H](C)C1 ZINC000872112972 1198048088 /nfs/dbraw/zinc/04/80/88/1198048088.db2.gz DYJICQLSOXJJIX-ZACQAIPSSA-N 2 0 326.481 2.056 10 0 EEAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000872150627 1198059040 /nfs/dbraw/zinc/05/90/40/1198059040.db2.gz GCYUSSMJCBBLCB-ZIAGYGMSSA-N 2 0 335.414 2.142 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc(/C=C\[C@H]3CCC[NH2+]C3)n2)ccn1 ZINC000872174744 1198072139 /nfs/dbraw/zinc/07/21/39/1198072139.db2.gz GCEPNHGWNGWHFE-GEXIGZQTSA-N 2 0 343.431 2.085 10 0 EEAERP Cc1ccnc(C[NH2+]CCCC[NH+]2CCOCC2)c1Br ZINC000865415709 1198204691 /nfs/dbraw/zinc/20/46/91/1198204691.db2.gz NMLWDOLHXRCSQK-UHFFFAOYSA-N 2 0 342.281 2.355 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001273374232 1198390686 /nfs/dbraw/zinc/39/06/86/1198390686.db2.gz IIBJOPLTNSKGNL-QGZVFWFLSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC001410890606 1198544342 /nfs/dbraw/zinc/54/43/42/1198544342.db2.gz STYCEUNASWAJBQ-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]2C1 ZINC001410924252 1198587947 /nfs/dbraw/zinc/58/79/47/1198587947.db2.gz MMSAAAQBLIVBPY-XBESVWMLSA-N 2 0 348.318 2.474 10 0 EEAERP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)C[N@H+](C)C3CCC3)CC2)on1 ZINC001411235548 1198946511 /nfs/dbraw/zinc/94/65/11/1198946511.db2.gz JCQLYMHZEURANR-HNNXBMFYSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810583512 1199606227 /nfs/dbraw/zinc/60/62/27/1199606227.db2.gz WRYJESRKNCDDGD-QAPCUYQASA-N 2 0 344.471 2.099 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000810651426 1199645178 /nfs/dbraw/zinc/64/51/78/1199645178.db2.gz MBLMNSWWGJYTEL-APWZRJJASA-N 2 0 339.499 2.389 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccnc1 ZINC000870019025 1200410989 /nfs/dbraw/zinc/41/09/89/1200410989.db2.gz MXIVWMCHPRZABR-GUDVDZBRSA-N 2 0 346.519 2.019 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1C[NH+](C)C ZINC000870024537 1200413166 /nfs/dbraw/zinc/41/31/66/1200413166.db2.gz RAZWVPSAKXTHNL-WOJBJXKFSA-N 2 0 343.515 2.377 10 0 EEAERP CC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000866040790 1201411996 /nfs/dbraw/zinc/41/19/96/1201411996.db2.gz IEVSJNLCVOWANK-IAGOWNOFSA-N 2 0 346.475 2.092 10 0 EEAERP Cc1cncc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000866720346 1201589208 /nfs/dbraw/zinc/58/92/08/1201589208.db2.gz JLQFFJWMSMNQFL-UFYCRDLUSA-N 2 0 325.456 2.458 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000868121935 1201747896 /nfs/dbraw/zinc/74/78/96/1201747896.db2.gz UVROICHCMMNDNE-ZWKOTPCHSA-N 2 0 346.475 2.375 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2cnc(Cl)s2)CCC1 ZINC001274089699 1204364114 /nfs/dbraw/zinc/36/41/14/1204364114.db2.gz RJNKJVYUMHTUDJ-ARJAWSKDSA-N 2 0 342.896 2.043 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001274317877 1204995637 /nfs/dbraw/zinc/99/56/37/1204995637.db2.gz HRFLFGZCZQHCKY-SNAWJCMRSA-N 2 0 333.451 2.238 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001274512379 1205063272 /nfs/dbraw/zinc/06/32/72/1205063272.db2.gz WZFPJHRZMHYABO-JIYQYTEPSA-N 2 0 343.462 2.416 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274578843 1205086129 /nfs/dbraw/zinc/08/61/29/1205086129.db2.gz OULQBOQQHORFFK-YLSAJCSVSA-N 2 0 329.435 2.170 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001275157561 1205270557 /nfs/dbraw/zinc/27/05/57/1205270557.db2.gz SGLMBPXPQSRNNM-QILLFSRXSA-N 2 0 335.467 2.193 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCc2ccccc2)CC[N@@H+]1C ZINC001275163840 1205271151 /nfs/dbraw/zinc/27/11/51/1205271151.db2.gz REERGPBBCNQKJI-YTQUADARSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](Cn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001411664985 1205478141 /nfs/dbraw/zinc/47/81/41/1205478141.db2.gz FQRLLRMUTQLXIM-HOTGVXAUSA-N 2 0 348.539 2.200 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001412164999 1205660793 /nfs/dbraw/zinc/66/07/93/1205660793.db2.gz LNMIIJNQAVBFOG-ZRNYENFQSA-N 2 0 341.499 2.353 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924631340 1206007058 /nfs/dbraw/zinc/00/70/58/1206007058.db2.gz GWMWQZQAGYQSRW-YLJYHZDGSA-N 2 0 330.520 2.408 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000925479018 1206117600 /nfs/dbraw/zinc/11/76/00/1206117600.db2.gz PRTLFHIPGFROGU-AQNXPRMDSA-N 2 0 345.531 2.426 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925499088 1206119621 /nfs/dbraw/zinc/11/96/21/1206119621.db2.gz MOXFYRSEJHRHRB-HQQPKKBNSA-N 2 0 340.414 2.071 10 0 EEAERP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925571294 1206129967 /nfs/dbraw/zinc/12/99/67/1206129967.db2.gz ZCZHNMKDDIUVRE-MISYRCLQSA-N 2 0 332.488 2.493 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)ccn1 ZINC000925655051 1206140589 /nfs/dbraw/zinc/14/05/89/1206140589.db2.gz UGRVEWTXMXYDBA-HKUYNNGSSA-N 2 0 333.476 2.317 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)C12CCC2 ZINC000925654987 1206140622 /nfs/dbraw/zinc/14/06/22/1206140622.db2.gz SWCNMGJTMUKXEX-OLZOCXBDSA-N 2 0 327.270 2.285 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000925784615 1206153477 /nfs/dbraw/zinc/15/34/77/1206153477.db2.gz SMYRYNMAESPKIG-LDDOYCOJSA-N 2 0 341.455 2.181 10 0 EEAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925781175 1206153510 /nfs/dbraw/zinc/15/35/10/1206153510.db2.gz HMYHQEJXLYIPMS-INMHGKMJSA-N 2 0 338.446 2.126 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cnn(C)c1 ZINC000925808482 1206156057 /nfs/dbraw/zinc/15/60/57/1206156057.db2.gz KUTWOJUOELWJEE-IBGZPJMESA-N 2 0 327.476 2.066 10 0 EEAERP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)ccc1OC(F)F ZINC000925812824 1206156900 /nfs/dbraw/zinc/15/69/00/1206156900.db2.gz ZSPNTGSIWKRYSA-GFCCVEGCSA-N 2 0 343.418 2.370 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000925847004 1206159598 /nfs/dbraw/zinc/15/95/98/1206159598.db2.gz WLLSAOCODOPVNY-CTNGQTDRSA-N 2 0 344.547 2.315 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849350 1206160400 /nfs/dbraw/zinc/16/04/00/1206160400.db2.gz IOHPIESBCOEUHF-IAGOWNOFSA-N 2 0 329.444 2.198 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000926326212 1206213878 /nfs/dbraw/zinc/21/38/78/1206213878.db2.gz PMJVRLRTBIRAMX-RBUKOAKNSA-N 2 0 330.472 2.436 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000928435382 1206383234 /nfs/dbraw/zinc/38/32/34/1206383234.db2.gz LZJLCVPCJHPDFK-NEWSRXKRSA-N 2 0 329.488 2.150 10 0 EEAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930146115 1206537467 /nfs/dbraw/zinc/53/74/67/1206537467.db2.gz QGKNTKVQNATTJL-GOSISDBHSA-N 2 0 340.508 2.005 10 0 EEAERP CC(=O)[C@](C)(O)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930863127 1206588424 /nfs/dbraw/zinc/58/84/24/1206588424.db2.gz UNBRVANBXLHREO-GQIGUUNPSA-N 2 0 348.487 2.068 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724656033 1230676203 /nfs/dbraw/zinc/67/62/03/1230676203.db2.gz KMZQOJMVTJLJBK-XLSIIYIISA-N 2 0 330.472 2.291 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)C1 ZINC000903048908 1239616261 /nfs/dbraw/zinc/61/62/61/1239616261.db2.gz YEIMBWUPYKJGFN-POHNSKBLSA-N 2 0 342.483 2.156 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827076535 1249791428 /nfs/dbraw/zinc/79/14/28/1249791428.db2.gz ROPITQBPBXPKPW-UKRRQHHQSA-N 2 0 338.883 2.424 10 0 EEAERP Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903439690 1240477812 /nfs/dbraw/zinc/47/78/12/1240477812.db2.gz LPGCTVBBGJFSPH-KSZLIROESA-N 2 0 345.487 2.034 10 0 EEAERP CC(C)Cc1ccccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476144 1240585479 /nfs/dbraw/zinc/58/54/79/1240585479.db2.gz OKQWVSXYTHRQSQ-OTWHNJEPSA-N 2 0 343.471 2.252 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000903492302 1240656307 /nfs/dbraw/zinc/65/63/07/1240656307.db2.gz MDGVNBYOPSBXTC-AHIWAGSCSA-N 2 0 340.370 2.000 10 0 EEAERP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496320 1240670234 /nfs/dbraw/zinc/67/02/34/1240670234.db2.gz KAEWKUYCORMZBC-BFYDXBDKSA-N 2 0 342.487 2.132 10 0 EEAERP CCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000903897421 1242383210 /nfs/dbraw/zinc/38/32/10/1242383210.db2.gz YYFCGBFIRSDDQZ-BZZMCLGOSA-N 2 0 347.507 2.228 10 0 EEAERP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000903910783 1242444196 /nfs/dbraw/zinc/44/41/96/1242444196.db2.gz QXAYMQJEORTNEE-QGZVFWFLSA-N 2 0 348.539 2.289 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC([C@H]3CCCCO3)CC2)cnn1C ZINC000903932970 1242554838 /nfs/dbraw/zinc/55/48/38/1242554838.db2.gz IQSGSBRUJZXTSB-QFBILLFUSA-N 2 0 334.508 2.127 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+][C@H](CO)c2ccc(Br)cc2)CC[NH2+]1 ZINC000903940153 1242604342 /nfs/dbraw/zinc/60/43/42/1242604342.db2.gz YRGDYHQYHBOKSG-TYNCELHUSA-N 2 0 327.266 2.460 10 0 EEAERP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957644 1242720350 /nfs/dbraw/zinc/72/03/50/1242720350.db2.gz RYIRNKVXYBZOBS-ZDUSSCGKSA-N 2 0 333.423 2.078 10 0 EEAERP Cn1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)n1 ZINC000903960062 1242734594 /nfs/dbraw/zinc/73/45/94/1242734594.db2.gz WGGBNTYZEFVZNB-LJQANCHMSA-N 2 0 325.460 2.448 10 0 EEAERP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964724 1242759339 /nfs/dbraw/zinc/75/93/39/1242759339.db2.gz UTNCAEVOSQONKF-JKIFEVAISA-N 2 0 329.444 2.039 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](C/C=C\Cl)CC[C@H]21 ZINC001490984918 1258541042 /nfs/dbraw/zinc/54/10/42/1258541042.db2.gz VGGFAPYVJVMNMY-PLHDSQEVSA-N 2 0 327.900 2.394 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001491478588 1259128992 /nfs/dbraw/zinc/12/89/92/1259128992.db2.gz QWGGATHDSXYQOS-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476172 1278575053 /nfs/dbraw/zinc/57/50/53/1278575053.db2.gz CYZWSPUHHMALCA-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476504 1278575782 /nfs/dbraw/zinc/57/57/82/1278575782.db2.gz QCFAFWOLWPMALU-QGZVFWFLSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)co1 ZINC001267887044 1276746981 /nfs/dbraw/zinc/74/69/81/1276746981.db2.gz ASBPTJUSRVBITI-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C[N@H+](C)C(C)C ZINC001273771410 1285301635 /nfs/dbraw/zinc/30/16/35/1285301635.db2.gz GRKHDNHAOIPLFX-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOc2ccc(C)cc2)[C@@H]1C ZINC001489300545 1290494860 /nfs/dbraw/zinc/49/48/60/1290494860.db2.gz KGYSSKNNEDZTFP-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001490195684 1291029778 /nfs/dbraw/zinc/02/97/78/1291029778.db2.gz HOLJLIBNIXBUSH-GOSISDBHSA-N 2 0 347.478 2.414 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cnoc1C ZINC001490348688 1291168911 /nfs/dbraw/zinc/16/89/11/1291168911.db2.gz FQWJYKKDPNATNZ-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000851847830 1291885456 /nfs/dbraw/zinc/88/54/56/1291885456.db2.gz WCTPZFVQDAYWNT-ILXRZTDVSA-N 2 0 336.413 2.233 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000851847834 1291886111 /nfs/dbraw/zinc/88/61/11/1291886111.db2.gz WCTPZFVQDAYWNT-KFWWJZLASA-N 2 0 336.413 2.233 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000852782370 1292196617 /nfs/dbraw/zinc/19/66/17/1292196617.db2.gz KBFLNOOFEBQCSE-OAHLLOKOSA-N 2 0 345.487 2.263 10 0 EEAERP O=C(C=C1CC[NH2+]CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000852868108 1292221477 /nfs/dbraw/zinc/22/14/77/1292221477.db2.gz NPPHSUBAIVIBRC-UHFFFAOYSA-N 2 0 337.533 2.164 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C=C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000852872530 1292222625 /nfs/dbraw/zinc/22/26/25/1292222625.db2.gz OYOBDBIXPWDHCW-UHFFFAOYSA-N 2 0 342.487 2.385 10 0 EEAERP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861652677 1295489560 /nfs/dbraw/zinc/48/95/60/1295489560.db2.gz JYEZTQBJKHKGFO-FUHWJXTLSA-N 2 0 344.503 2.277 10 0 EEAERP CC1(C)CCC(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863549893 1296329582 /nfs/dbraw/zinc/32/95/82/1296329582.db2.gz SYFFDOYABMPGTL-SJORKVTESA-N 2 0 335.492 2.460 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001277001214 1300764019 /nfs/dbraw/zinc/76/40/19/1300764019.db2.gz KTSSFURHMUXQJH-TUVASFSCSA-N 2 0 347.425 2.440 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001277892786 1305025320 /nfs/dbraw/zinc/02/53/20/1305025320.db2.gz WZBZONZAOXSCRD-LJQANCHMSA-N 2 0 341.499 2.438 10 0 EEAERP C[NH+](C)CCCCCCCNC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000841739234 1315606221 /nfs/dbraw/zinc/60/62/21/1315606221.db2.gz DNAXNFOQWMEZAA-GOSISDBHSA-N 2 0 347.507 2.250 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841899249 1315632838 /nfs/dbraw/zinc/63/28/38/1315632838.db2.gz UTKVDMFIQXXWAH-IEZWGBDMSA-N 2 0 330.476 2.030 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCCN2CCOCC2)[C@H]1C ZINC001278521417 1317131858 /nfs/dbraw/zinc/13/18/58/1317131858.db2.gz NKUSFNUBOAORBI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCC(C)(C)C ZINC001278755099 1317980843 /nfs/dbraw/zinc/98/08/43/1317980843.db2.gz DNMSDOYHFQQGKU-SJORKVTESA-N 2 0 341.540 2.094 10 0 EEAERP CN(CCOCC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001264662414 1322770446 /nfs/dbraw/zinc/77/04/46/1322770446.db2.gz FRMQHEAUBHNRMW-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264679803 1322781177 /nfs/dbraw/zinc/78/11/77/1322781177.db2.gz LNKQUXKCVVPOPJ-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)CCc1cncn1C ZINC001265063587 1322902270 /nfs/dbraw/zinc/90/22/70/1322902270.db2.gz KUSDFSKECQEACM-UHFFFAOYSA-N 2 0 346.450 2.439 10 0 EEAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001265492311 1323181219 /nfs/dbraw/zinc/18/12/19/1323181219.db2.gz NZVKCOQPDGZEQK-JFIYKMOQSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001265509314 1323189133 /nfs/dbraw/zinc/18/91/33/1323189133.db2.gz ZGVUEDPVOGQDLM-IYARVYRRSA-N 2 0 347.503 2.259 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1 ZINC001265510791 1323189481 /nfs/dbraw/zinc/18/94/81/1323189481.db2.gz XBFCOYZHBLELDZ-WGSAOQKQSA-N 2 0 344.503 2.393 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001265621429 1323273270 /nfs/dbraw/zinc/27/32/70/1323273270.db2.gz JTIMYORUSCWTCC-CYBMUJFWSA-N 2 0 335.414 2.109 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CCCOC ZINC001265697380 1323330133 /nfs/dbraw/zinc/33/01/33/1323330133.db2.gz RUTPANQOZNAJRR-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265731612 1323353962 /nfs/dbraw/zinc/35/39/62/1323353962.db2.gz UTZIDABRMMIXGM-ABHNRTSZSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001265846234 1323421107 /nfs/dbraw/zinc/42/11/07/1323421107.db2.gz KTCAKLIEDGCDJR-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)C[C@@H]1CC(C)(C)CO1 ZINC001265865242 1323439169 /nfs/dbraw/zinc/43/91/69/1323439169.db2.gz WBCQKDFLJPVABJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CC(F)(F)C1 ZINC001265871951 1323444978 /nfs/dbraw/zinc/44/49/78/1323444978.db2.gz JRLUIUMPPBZMSU-HZPDHXFCSA-N 2 0 343.462 2.487 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)ncn1 ZINC001266075616 1323632185 /nfs/dbraw/zinc/63/21/85/1323632185.db2.gz PEJCOZHWBXSUTB-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc2c(c1)COC2 ZINC001266108919 1323674903 /nfs/dbraw/zinc/67/49/03/1323674903.db2.gz KSPFRZPEJOKTQG-UHFFFAOYSA-N 2 0 345.487 2.141 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143820 1324095973 /nfs/dbraw/zinc/09/59/73/1324095973.db2.gz YGLRIMFLZRGHQY-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCc3ccccc3Cl)C2)C1 ZINC001282074375 1325611231 /nfs/dbraw/zinc/61/12/31/1325611231.db2.gz SXZNAFHLXUKRAC-ARWYELJZSA-N 2 0 349.906 2.319 10 0 EEAERP CCCCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282664224 1325759989 /nfs/dbraw/zinc/75/99/89/1325759989.db2.gz ZVDXGMFTQITSNU-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001282833918 1325801774 /nfs/dbraw/zinc/80/17/74/1325801774.db2.gz RDXKDGICBJWDFO-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001283033063 1325891607 /nfs/dbraw/zinc/89/16/07/1325891607.db2.gz UZCSOCBRXYFRHU-FHWLQOOXSA-N 2 0 329.488 2.116 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCCC(F)(F)F ZINC001283611734 1326162164 /nfs/dbraw/zinc/16/21/64/1326162164.db2.gz KAUVJRBCGVAMAU-DZGCQCFKSA-N 2 0 349.441 2.497 10 0 EEAERP CCc1cccc(OCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001283900754 1326309638 /nfs/dbraw/zinc/30/96/38/1326309638.db2.gz XDRROTKPBIADTE-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001284602848 1326626227 /nfs/dbraw/zinc/62/62/27/1326626227.db2.gz FGVVRSXWVDXBSA-DLBZAZTESA-N 2 0 341.540 2.264 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491859223 1330276768 /nfs/dbraw/zinc/27/67/68/1330276768.db2.gz RKQMXYAVDKIFCV-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001491879548 1330286365 /nfs/dbraw/zinc/28/63/65/1330286365.db2.gz YXNQBCRPMJEFKC-SJORKVTESA-N 2 0 349.523 2.121 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)s1 ZINC001491883710 1330288337 /nfs/dbraw/zinc/28/83/37/1330288337.db2.gz WMJHEVPGMXXLTD-HUUCEWRRSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001491893607 1330293115 /nfs/dbraw/zinc/29/31/15/1330293115.db2.gz FYUJQLPOVMXLIH-IRXDYDNUSA-N 2 0 336.455 2.080 10 0 EEAERP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001491958604 1330351807 /nfs/dbraw/zinc/35/18/07/1330351807.db2.gz FGYVLPIUXFOUOC-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(CO)cc1 ZINC001492068195 1330441325 /nfs/dbraw/zinc/44/13/25/1330441325.db2.gz WMZZTEZAFZBKNW-INIZCTEOSA-N 2 0 347.503 2.038 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1 ZINC001492024265 1330450847 /nfs/dbraw/zinc/45/08/47/1330450847.db2.gz OBGVAKGROGWBQY-APWZRJJASA-N 2 0 329.488 2.055 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC001316842097 1331404194 /nfs/dbraw/zinc/40/41/94/1331404194.db2.gz VYDAKIPOZOHMIJ-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1nc(C)sc1C ZINC001316886487 1331811422 /nfs/dbraw/zinc/81/14/22/1331811422.db2.gz DIEUFNGSJJSMQE-MRXNPFEDSA-N 2 0 338.521 2.182 10 0 EEAERP CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C[C@@H]1CCOC1 ZINC001316894607 1331960994 /nfs/dbraw/zinc/96/09/94/1331960994.db2.gz CPCZGHFDMUZQIP-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ncccc1C ZINC001316904373 1331969858 /nfs/dbraw/zinc/96/98/58/1331969858.db2.gz WGIVRAIGPXCFRT-INIZCTEOSA-N 2 0 332.492 2.060 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCCc3ccccc3)C2)C1 ZINC001316993654 1332034716 /nfs/dbraw/zinc/03/47/16/1332034716.db2.gz PWCGQJOBWDAHPW-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001317190686 1332123313 /nfs/dbraw/zinc/12/33/13/1332123313.db2.gz WVTZRLJWWOADNB-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317359769 1332194387 /nfs/dbraw/zinc/19/43/87/1332194387.db2.gz OXAINUAFCAIKTH-MOPGFXCFSA-N 2 0 347.503 2.415 10 0 EEAERP O=C(CCn1ccnc1)NCCC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC001317428463 1332232539 /nfs/dbraw/zinc/23/25/39/1332232539.db2.gz WDZNDHIAYMIWMK-INIZCTEOSA-N 2 0 347.488 2.291 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317503263 1332269542 /nfs/dbraw/zinc/26/95/42/1332269542.db2.gz ZTQSGJGTGVAKJO-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]CCc1ccccc1Cl)[NH+](C)C ZINC001317597794 1332317457 /nfs/dbraw/zinc/31/74/57/1332317457.db2.gz CJGGIRTXUYBGGF-MRXNPFEDSA-N 2 0 325.884 2.271 10 0 EEAERP CN(C)c1ccccc1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317616344 1332329544 /nfs/dbraw/zinc/32/95/44/1332329544.db2.gz DPGXXEUMDMUOBF-UHFFFAOYSA-N 2 0 346.519 2.175 10 0 EEAERP COCCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001317868163 1332436187 /nfs/dbraw/zinc/43/61/87/1332436187.db2.gz AMJWGDGODSXVCF-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317993840 1332459069 /nfs/dbraw/zinc/45/90/69/1332459069.db2.gz DQGHVRVMXNEMEQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(C)c1 ZINC001318602005 1332566564 /nfs/dbraw/zinc/56/65/64/1332566564.db2.gz FKCICUGVLCVTGH-MOPGFXCFSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001318831174 1332606674 /nfs/dbraw/zinc/60/66/74/1332606674.db2.gz OGBQHTAOKLJZFM-MRXNPFEDSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319462455 1332705810 /nfs/dbraw/zinc/70/58/10/1332705810.db2.gz WRXHCXSCNMIMGG-BFYDXBDKSA-N 2 0 337.533 2.457 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001319710313 1332747731 /nfs/dbraw/zinc/74/77/31/1332747731.db2.gz LVEFVYGKYGVOBS-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001320515207 1332901041 /nfs/dbraw/zinc/90/10/41/1332901041.db2.gz DGZVGRXXXBPDFG-QFBILLFUSA-N 2 0 331.504 2.370 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)sc1C ZINC001320549239 1332907714 /nfs/dbraw/zinc/90/77/14/1332907714.db2.gz PMBKNPIYTIEYMV-OLZOCXBDSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063615 1333008766 /nfs/dbraw/zinc/00/87/66/1333008766.db2.gz IOMZBTFSGJAAKC-LSTKMXGYSA-N 2 0 345.462 2.238 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001321187930 1333040289 /nfs/dbraw/zinc/04/02/89/1333040289.db2.gz DZEUIULGURFNPY-RXYHWBRQSA-N 2 0 337.414 2.480 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2)C12CC[NH+](CC1)C2 ZINC001321336314 1333077780 /nfs/dbraw/zinc/07/77/80/1333077780.db2.gz KEIHEXDBQDIJNE-UPHRSURJSA-N 2 0 339.483 2.033 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001322682467 1333306439 /nfs/dbraw/zinc/30/64/39/1333306439.db2.gz IVHRDSOPRDNBKO-HUUCEWRRSA-N 2 0 333.467 2.446 10 0 EEAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1CC ZINC001323163015 1333400699 /nfs/dbraw/zinc/40/06/99/1333400699.db2.gz RYONHKFEVGXJIE-FUHWJXTLSA-N 2 0 349.523 2.075 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001324237004 1333640764 /nfs/dbraw/zinc/64/07/64/1333640764.db2.gz RYBOUPOPCRVIOW-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001324707170 1333743074 /nfs/dbraw/zinc/74/30/74/1333743074.db2.gz PKGUEAWBGPAWQZ-PZJWPPBQSA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CCc2ccc(F)cc2)c1 ZINC001325036535 1333815688 /nfs/dbraw/zinc/81/56/88/1333815688.db2.gz FZEFJVHONKKYLP-UHFFFAOYSA-N 2 0 343.446 2.449 10 0 EEAERP COCCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001326272072 1334057015 /nfs/dbraw/zinc/05/70/15/1334057015.db2.gz HPNWQILBMFVFIU-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326332715 1334070378 /nfs/dbraw/zinc/07/03/78/1334070378.db2.gz NBQLIIXHKLFTKD-MAUKXSAKSA-N 2 0 333.451 2.248 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001326843695 1334168285 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10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001328928116 1334549434 /nfs/dbraw/zinc/54/94/34/1334549434.db2.gz NGKINZPTIYFREA-UOWGTXJQSA-N 2 0 327.900 2.486 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001329922416 1334740102 /nfs/dbraw/zinc/74/01/02/1334740102.db2.gz XGKNVYDTNGLJEX-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCCc3ccccc3)C2)C1 ZINC001330700113 1334889071 /nfs/dbraw/zinc/88/90/71/1334889071.db2.gz JLBFRIUSWRTOCP-UFYCRDLUSA-N 2 0 343.515 2.445 10 0 EEAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CC[C@@H]1CCCO1)C(C)(C)C)C1CCC1 ZINC001332804116 1335910168 /nfs/dbraw/zinc/91/01/68/1335910168.db2.gz BGVQELAPHRYRMR-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP CO[C@@H](C[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1)C1CCC1 ZINC001333354832 1336018450 /nfs/dbraw/zinc/01/84/50/1336018450.db2.gz QRAQSSBAUCOHDH-SFHVURJKSA-N 2 0 349.519 2.034 10 0 EEAERP C[C@H]1CN(C(=[NH2+])NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000849095267 1338839319 /nfs/dbraw/zinc/83/93/19/1338839319.db2.gz PSAICUDGJMFSPP-INIZCTEOSA-N 2 0 330.476 2.418 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001668214700 1355900886 /nfs/dbraw/zinc/90/08/86/1355900886.db2.gz NNGMTBVNODQGQB-CYBMUJFWSA-N 2 0 338.496 2.254 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214849 1355901002 /nfs/dbraw/zinc/90/10/02/1355901002.db2.gz QLMRPBLVITYKIM-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001436363708 1342053651 /nfs/dbraw/zinc/05/36/51/1342053651.db2.gz IORIZDJLGVYWPV-KHYOSLBOSA-N 2 0 345.462 2.393 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001436367821 1342055444 /nfs/dbraw/zinc/05/54/44/1342055444.db2.gz NPZAWJBZYXZGTO-CEXWTWQISA-N 2 0 344.503 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCCOC)C2)C1 ZINC001500251456 1342112120 /nfs/dbraw/zinc/11/21/20/1342112120.db2.gz PTYBFZFJDQELSG-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[NH2+]CCCOC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001506487039 1342243206 /nfs/dbraw/zinc/24/32/06/1342243206.db2.gz FRLYATDBYWUXEM-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001506666061 1342307385 /nfs/dbraw/zinc/30/73/85/1342307385.db2.gz OYERPILPDIZTEZ-CVEARBPZSA-N 2 0 333.520 2.345 10 0 EEAERP CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001566753012 1342623790 /nfs/dbraw/zinc/62/37/90/1342623790.db2.gz WLJAKSFMQLHXET-INDMIFKZSA-N 2 0 349.519 2.105 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001566955806 1342659968 /nfs/dbraw/zinc/65/99/68/1342659968.db2.gz QKVBAKCJFVIWGD-MSOLQXFVSA-N 2 0 348.491 2.074 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001567247252 1342717622 /nfs/dbraw/zinc/71/76/22/1342717622.db2.gz MIIWXJFDHFBHCW-IRXDYDNUSA-N 2 0 348.491 2.246 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nocc1C ZINC001676022022 1357090377 /nfs/dbraw/zinc/09/03/77/1357090377.db2.gz BOWGUYOINWDSHF-NVXWUHKLSA-N 2 0 336.480 2.232 10 0 EEAERP CCCCOCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001676052852 1357097339 /nfs/dbraw/zinc/09/73/39/1357097339.db2.gz YCEHFWIMPMDCCQ-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001676249913 1357126651 /nfs/dbraw/zinc/12/66/51/1357126651.db2.gz QKULVWQSXIBKAC-JSGCOSHPSA-N 2 0 348.318 2.474 10 0 EEAERP CCCCCC[C@@](O)(C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)OC ZINC001644682489 1352765805 /nfs/dbraw/zinc/76/58/05/1352765805.db2.gz RRHIJOIODRSBEQ-SJLPKXTDSA-N 2 0 328.497 2.135 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@H]2C1 ZINC001646941713 1353061210 /nfs/dbraw/zinc/06/12/10/1353061210.db2.gz VPDKJKFCQMECCN-GEONRVCZSA-N 2 0 348.535 2.423 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001646954051 1353069889 /nfs/dbraw/zinc/06/98/89/1353069889.db2.gz QWUUCNLTOJMJTB-VSZNYVQBSA-N 2 0 336.524 2.136 10 0 EEAERP C[NH2+][C@H](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001649838532 1353621684 /nfs/dbraw/zinc/62/16/84/1353621684.db2.gz UVHWUYUDGSNTPU-MRXNPFEDSA-N 2 0 332.492 2.470 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001671246561 1353624395 /nfs/dbraw/zinc/62/43/95/1353624395.db2.gz UPIIBBTTXKBIHV-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC001650051568 1353701356 /nfs/dbraw/zinc/70/13/56/1353701356.db2.gz UYNMUPSRTVSOCA-GOSISDBHSA-N 2 0 326.525 2.486 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001656293756 1354221581 /nfs/dbraw/zinc/22/15/81/1354221581.db2.gz SCBUGDNESZOEID-CGTJXYLNSA-N 2 0 339.499 2.343 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001656908496 1354298295 /nfs/dbraw/zinc/29/82/95/1354298295.db2.gz IIEAQORDIBFUFJ-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CC(=O)NCCC[N@H+](C)Cc1ccc(F)cn1)n1ccnc1 ZINC001660316596 1354437962 /nfs/dbraw/zinc/43/79/62/1354437962.db2.gz CQALKSBBGGNFDS-AWEZNQCLSA-N 2 0 333.411 2.007 10 0 EEAERP Cc1ncc(C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)s1 ZINC001660408832 1354459976 /nfs/dbraw/zinc/45/99/76/1354459976.db2.gz OXGFVHDPLRXHCQ-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP COc1ccc(C[N@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C2CC2)cc1 ZINC001660753176 1354532273 /nfs/dbraw/zinc/53/22/73/1354532273.db2.gz NJZBHJYKEALZMC-KRWDZBQOSA-N 2 0 345.487 2.118 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001661235640 1354615300 /nfs/dbraw/zinc/61/53/00/1354615300.db2.gz LWNNWYHGLRDLEO-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001661921544 1354722960 /nfs/dbraw/zinc/72/29/60/1354722960.db2.gz DEJARXUHMJWJJV-GJKGUAGWSA-N 2 0 327.900 2.440 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001661972435 1354731018 /nfs/dbraw/zinc/73/10/18/1354731018.db2.gz VXRGRIVFUKBHOL-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(CCC[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001662262814 1354770725 /nfs/dbraw/zinc/77/07/25/1354770725.db2.gz MRLJNJMVEPSDLV-VQIMIIECSA-N 2 0 347.503 2.206 10 0 EEAERP C[NH+](CC(=O)NCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C1CCC1 ZINC001663196618 1354933911 /nfs/dbraw/zinc/93/39/11/1354933911.db2.gz CYROXIZPGKSSAW-LBPRGKRZSA-N 2 0 336.307 2.103 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1C ZINC001664111931 1355095425 /nfs/dbraw/zinc/09/54/25/1355095425.db2.gz WZDJFSVDOBVFDG-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCc2ccccc2Cl)C1 ZINC001664186177 1355109917 /nfs/dbraw/zinc/10/99/17/1355109917.db2.gz MEFGUPLQDMYLNJ-HNNXBMFYSA-N 2 0 337.895 2.272 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001664535131 1355188822 /nfs/dbraw/zinc/18/88/22/1355188822.db2.gz ZODVQCNBSVVYMM-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667053663 1355639607 /nfs/dbraw/zinc/63/96/07/1355639607.db2.gz HQTTVKKNAFFNTK-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001667307424 1355706178 /nfs/dbraw/zinc/70/61/78/1355706178.db2.gz XPPOUPYBUDJEFN-CVEARBPZSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001667520239 1355753564 /nfs/dbraw/zinc/75/35/64/1355753564.db2.gz XMNOQJXGYYOAQF-HKUYNNGSSA-N 2 0 347.503 2.056 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001668117174 1355875832 /nfs/dbraw/zinc/87/58/32/1355875832.db2.gz FIJXBFJQUOJFLG-CQSZACIVSA-N 2 0 336.480 2.312 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)oc1C ZINC001668234390 1355905028 /nfs/dbraw/zinc/90/50/28/1355905028.db2.gz JJYDLLMHAICMNA-ZDUSSCGKSA-N 2 0 336.480 2.008 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001668833686 1356015719 /nfs/dbraw/zinc/01/57/19/1356015719.db2.gz JATIBHVFRNZFHS-BUSQMGNYSA-N 2 0 348.491 2.038 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863900 1356026539 /nfs/dbraw/zinc/02/65/39/1356026539.db2.gz AFFMXRGEUWHGET-QRBHQTINSA-N 2 0 325.472 2.404 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001669026572 1356070440 /nfs/dbraw/zinc/07/04/40/1356070440.db2.gz CDLAAQCZKREIPP-FUTAKVPZSA-N 2 0 339.430 2.313 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cncc(F)c1 ZINC001669075319 1356085035 /nfs/dbraw/zinc/08/50/35/1356085035.db2.gz OMYYFSBJNHOFMA-WRFKIARRSA-N 2 0 348.466 2.246 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001669137563 1356103250 /nfs/dbraw/zinc/10/32/50/1356103250.db2.gz CVFCXUVGOIFFKF-JIYQYTEPSA-N 2 0 343.462 2.416 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669595790 1356181386 /nfs/dbraw/zinc/18/13/86/1356181386.db2.gz QVBXJTLUXVKCLC-QFBILLFUSA-N 2 0 331.504 2.370 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001669639515 1356188747 /nfs/dbraw/zinc/18/87/47/1356188747.db2.gz TZCBDRWSEBJVBU-LPHOPBHVSA-N 2 0 331.504 2.370 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001669974131 1356253887 /nfs/dbraw/zinc/25/38/87/1356253887.db2.gz QXKPJINPPVHAKK-ZWKOTPCHSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)CCc1cncn1C ZINC001670327482 1356320905 /nfs/dbraw/zinc/32/09/05/1356320905.db2.gz BVGAGPPAGFITHE-UHFFFAOYSA-N 2 0 349.866 2.039 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)CC1 ZINC001671559196 1356362839 /nfs/dbraw/zinc/36/28/39/1356362839.db2.gz PKUDAYDEVLACQW-QGZVFWFLSA-N 2 0 327.488 2.341 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001672910867 1356613178 /nfs/dbraw/zinc/61/31/78/1356613178.db2.gz PHWQMNKUMPYUHT-ZDUSSCGKSA-N 2 0 334.291 2.229 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001673316881 1356665183 /nfs/dbraw/zinc/66/51/83/1356665183.db2.gz IKPZEXFKTHDLFR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001673332928 1356668318 /nfs/dbraw/zinc/66/83/18/1356668318.db2.gz XLUUFTCJSPLFIG-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674500007 1356849004 /nfs/dbraw/zinc/84/90/04/1356849004.db2.gz ULASZHUGDYJNAT-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001674687157 1356876750 /nfs/dbraw/zinc/87/67/50/1356876750.db2.gz MUMJDPRUUDDMCI-ZIAGYGMSSA-N 2 0 332.448 2.164 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001675898127 1357065062 /nfs/dbraw/zinc/06/50/62/1357065062.db2.gz KKWACHXLHADQHR-YOEHRIQHSA-N 2 0 336.480 2.230 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001690745322 1404936275 /nfs/dbraw/zinc/93/62/75/1404936275.db2.gz CBFLKAITMAIQQW-QGZVFWFLSA-N 2 0 349.544 2.461 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001690773982 1404937756 /nfs/dbraw/zinc/93/77/56/1404937756.db2.gz BHGTYLNKSSZMDW-IAGOWNOFSA-N 2 0 349.519 2.201 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001698677225 1405014541 /nfs/dbraw/zinc/01/45/41/1405014541.db2.gz OZGWRJRWLXXBTF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001699105786 1405261081 /nfs/dbraw/zinc/26/10/81/1405261081.db2.gz XYHUVYQPOFGJPW-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001699740839 1405463752 /nfs/dbraw/zinc/46/37/52/1405463752.db2.gz RRZQCCITQPBPKS-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@@H+]1CC[C@@H](c2nnc3n2CC[NH+](CCc2ccccc2)CC3)C1 ZINC000257193361 790590960 /nfs/dbraw/zinc/59/09/60/790590960.db2.gz YDWXWHQMJRQKMF-GOSISDBHSA-N 2 0 339.487 2.188 10 0 EEAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000818178925 785205525 /nfs/dbraw/zinc/20/55/25/785205525.db2.gz VNORQIPTDNUUHS-QZTJIDSGSA-N 2 0 325.472 2.143 10 0 EEAERP C[N@H+](CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[C@H]1CCSC1 ZINC000908497854 785456718 /nfs/dbraw/zinc/45/67/18/785456718.db2.gz FLLLFKYWEMVWLL-INIZCTEOSA-N 2 0 339.549 2.195 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCc2cnn(C)n2)CC1 ZINC000824435623 788169625 /nfs/dbraw/zinc/16/96/25/788169625.db2.gz XIZVLDPVANKGGE-QGZVFWFLSA-N 2 0 341.503 2.433 10 0 EEAERP C[NH+]1CCC2(CC1)CN(C(=O)C13CC[NH+](CC1)C3)Cc1ccccc12 ZINC000913492099 788926843 /nfs/dbraw/zinc/92/68/43/788926843.db2.gz BNVPLZJFRZJCPG-UHFFFAOYSA-N 2 0 339.483 2.088 10 0 EEAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385597 789480730 /nfs/dbraw/zinc/48/07/30/789480730.db2.gz BBPKZINPBMXKMN-RBUKOAKNSA-N 2 0 332.488 2.446 10 0 EEAERP C[N@H+](CCOCC[NH3+])C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923403431 789504244 /nfs/dbraw/zinc/50/42/44/789504244.db2.gz PWISEVRDJSURIW-DZGCQCFKSA-N 2 0 332.366 2.076 10 0 EEAERP COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923441997 789568447 /nfs/dbraw/zinc/56/84/47/789568447.db2.gz ONVQKLGJJZJOTQ-HNNXBMFYSA-N 2 0 331.460 2.488 10 0 EEAERP CSc1cccc(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923455972 789571473 /nfs/dbraw/zinc/57/14/73/789571473.db2.gz BQQCHRUPWXJMKB-HNNXBMFYSA-N 2 0 349.500 2.177 10 0 EEAERP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000923459153 789578589 /nfs/dbraw/zinc/57/85/89/789578589.db2.gz BDAIFYADROGJOP-UHFFFAOYSA-N 2 0 345.878 2.100 10 0 EEAERP CC[C@H](c1ccc(Br)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462522 789599500 /nfs/dbraw/zinc/59/95/00/789599500.db2.gz JPZSNNOFIJOCRQ-OAHLLOKOSA-N 2 0 326.282 2.395 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1cccnc1 ZINC000913874354 794456643 /nfs/dbraw/zinc/45/66/43/794456643.db2.gz FMCYPAIRKDLOAB-QGZVFWFLSA-N 2 0 347.507 2.248 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000917899139 798399083 /nfs/dbraw/zinc/39/90/83/798399083.db2.gz SJRZDTWZMSUMSV-ZWKOTPCHSA-N 2 0 347.507 2.248 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566075593 1125548447 /nfs/dbraw/zinc/54/84/47/1125548447.db2.gz TXHDPALRZLCHLN-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2ccccc2F)CC1 ZINC001566502870 1125670859 /nfs/dbraw/zinc/67/08/59/1125670859.db2.gz DEMJYPROZMZMNS-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001566504671 1125672668 /nfs/dbraw/zinc/67/26/68/1125672668.db2.gz KAPRSJJLPLPZIY-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001436806964 1088391131 /nfs/dbraw/zinc/39/11/31/1088391131.db2.gz MLHSJQWXDJIVCS-BEFAXECRSA-N 2 0 347.478 2.460 10 0 EEAERP CCc1nocc1C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001436832997 1088450606 /nfs/dbraw/zinc/45/06/06/1088450606.db2.gz MSVDNWXIUCSBJX-QZTJIDSGSA-N 2 0 348.491 2.096 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CCF)C2)C1 ZINC001436836571 1088463174 /nfs/dbraw/zinc/46/31/74/1088463174.db2.gz ATFZKQQHRXERFS-DLBZAZTESA-N 2 0 327.488 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001436965821 1088657099 /nfs/dbraw/zinc/65/70/99/1088657099.db2.gz QIDCKAYYPCTENS-OKILXGFUSA-N 2 0 327.831 2.168 10 0 EEAERP CC(C)OCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001437029814 1088839405 /nfs/dbraw/zinc/83/94/05/1088839405.db2.gz CBJPBRBFESRTAU-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001437308994 1089465910 /nfs/dbraw/zinc/46/59/10/1089465910.db2.gz ZZVIYMMYFFCECT-LSDHHAIUSA-N 2 0 345.422 2.067 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001437419864 1089704350 /nfs/dbraw/zinc/70/43/50/1089704350.db2.gz XXWRNNMPEJMELB-CRAIPNDOSA-N 2 0 335.467 2.482 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCC(F)(F)F ZINC001437680635 1090215736 /nfs/dbraw/zinc/21/57/36/1090215736.db2.gz NNVFUZBMLXSRHO-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC[C@@H]1CCCO1 ZINC001437761248 1090337204 /nfs/dbraw/zinc/33/72/04/1090337204.db2.gz HOALSCVKKORUTG-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438121913 1090651086 /nfs/dbraw/zinc/65/10/86/1090651086.db2.gz PJDWOFCCIWKVAZ-QGZVFWFLSA-N 2 0 339.499 2.295 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001438281925 1090766330 /nfs/dbraw/zinc/76/63/30/1090766330.db2.gz INMLZDNBWGFZKV-OALUTQOASA-N 2 0 329.488 2.254 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438707827 1091221711 /nfs/dbraw/zinc/22/17/11/1091221711.db2.gz HJINKUHIIWRSHP-CVEARBPZSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)c(C)n1 ZINC001438709730 1091224927 /nfs/dbraw/zinc/22/49/27/1091224927.db2.gz HDECVCSEDOYYBN-JXFKEZNVSA-N 2 0 344.503 2.121 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)C[NH+]1CCCC1 ZINC001438724637 1091254622 /nfs/dbraw/zinc/25/46/22/1091254622.db2.gz UJFTWKDLEUCYKF-RDTXWAMCSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001438763880 1091336897 /nfs/dbraw/zinc/33/68/97/1091336897.db2.gz FKYMSKVKDSZDPH-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001438807754 1091419301 /nfs/dbraw/zinc/41/93/01/1091419301.db2.gz GUXSNRFFJUKBDP-BZSNNMDCSA-N 2 0 346.519 2.351 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1C ZINC001439114297 1091759038 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Cc1ncc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)s1 ZINC001439634459 1092555798 /nfs/dbraw/zinc/55/57/98/1092555798.db2.gz NCQIGPAJWIZGIM-UHFFFAOYSA-N 2 0 336.505 2.064 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2F)CC1 ZINC001439675693 1092617469 /nfs/dbraw/zinc/61/74/69/1092617469.db2.gz IZPOGTSUGXQMGN-UHFFFAOYSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)n1 ZINC001439820068 1092805756 /nfs/dbraw/zinc/80/57/56/1092805756.db2.gz XOVWTIMJWYKXAN-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@]1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC[N@H+](CCC2CC2)C1 ZINC001439932540 1093017824 /nfs/dbraw/zinc/01/78/24/1093017824.db2.gz FRQRGUSKVMMDGQ-ICSRJNTNSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001440113226 1093174365 /nfs/dbraw/zinc/17/43/65/1093174365.db2.gz DDOAWWLJIVYLGJ-AEFFLSMTSA-N 2 0 332.492 2.057 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCc2ccc(F)c(F)c2)CCC1 ZINC001440334344 1093476611 /nfs/dbraw/zinc/47/66/11/1093476611.db2.gz RAWDIIBNKXHTJQ-UHFFFAOYSA-N 2 0 339.430 2.088 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001440339261 1093485767 /nfs/dbraw/zinc/48/57/67/1093485767.db2.gz JLXADQMGRFIAGO-JYJNAYRXSA-N 2 0 325.472 2.095 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)C[C@@H]1CCCCO1 ZINC001440519076 1093769834 /nfs/dbraw/zinc/76/98/34/1093769834.db2.gz OTHSOYAAMMBGEQ-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC001440533589 1093796370 /nfs/dbraw/zinc/79/63/70/1093796370.db2.gz BOCKVAPFDUVYMY-FQEVSTJZSA-N 2 0 344.503 2.236 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ncccc2C)CC1 ZINC001440604691 1093869658 /nfs/dbraw/zinc/86/96/58/1093869658.db2.gz KYFBSHSMCJPJTK-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001440626604 1093895350 /nfs/dbraw/zinc/89/53/50/1093895350.db2.gz LTDBDLAEQVZFJK-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccnc2)CC1(C)C ZINC001440626805 1093897630 /nfs/dbraw/zinc/89/76/30/1093897630.db2.gz UOWGAZUABQJMLF-QGZVFWFLSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440649417 1093920624 /nfs/dbraw/zinc/92/06/24/1093920624.db2.gz OLWAKKKHFOEYBS-YJBOKZPZSA-N 2 0 349.523 2.193 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001440664184 1093931598 /nfs/dbraw/zinc/93/15/98/1093931598.db2.gz ICNJBVVWEOBJLI-KBXCAEBGSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001440717068 1093958697 /nfs/dbraw/zinc/95/86/97/1093958697.db2.gz PEOIXNXMNWQKMV-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001440729172 1093974648 /nfs/dbraw/zinc/97/46/48/1093974648.db2.gz XMVNPYOCOZZTAI-HOTGVXAUSA-N 2 0 325.472 2.286 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001440734863 1093984111 /nfs/dbraw/zinc/98/41/11/1093984111.db2.gz LOXJWESUNZVJSF-KBPBESRZSA-N 2 0 335.414 2.203 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnc(Cl)s2)[C@H]1C ZINC001448981498 1093984519 /nfs/dbraw/zinc/98/45/19/1093984519.db2.gz WKMFEDCLLLSYCS-YPMHNXCESA-N 2 0 344.912 2.216 10 0 EEAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001440765647 1094006416 /nfs/dbraw/zinc/00/64/16/1094006416.db2.gz QRGRZNLJMSMHHC-JTTJXQCZSA-N 2 0 327.488 2.339 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ncccc1C)CC2)[NH+](C)C ZINC001449013972 1094015847 /nfs/dbraw/zinc/01/58/47/1094015847.db2.gz OAMFSTQASIMZGK-NLWGTHIKSA-N 2 0 344.503 2.343 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1cncs1 ZINC001440795120 1094036292 /nfs/dbraw/zinc/03/62/92/1094036292.db2.gz DMWZNBWHMMXJJD-KBPBESRZSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001449051272 1094066014 /nfs/dbraw/zinc/06/60/14/1094066014.db2.gz BDPMQXWTPAOSBK-HOTGVXAUSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440818542 1094071704 /nfs/dbraw/zinc/07/17/04/1094071704.db2.gz IHAULMBXCHBFTO-CVEARBPZSA-N 2 0 332.492 2.247 10 0 EEAERP COc1cc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)ccc1C ZINC001440965851 1094223200 /nfs/dbraw/zinc/22/32/00/1094223200.db2.gz CRNRHSOSRKNIKF-NVXWUHKLSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440998562 1094269859 /nfs/dbraw/zinc/26/98/59/1094269859.db2.gz IUBGFZJLCHXRDH-IAGOWNOFSA-N 2 0 346.519 2.031 10 0 EEAERP COC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001449359038 1094322394 /nfs/dbraw/zinc/32/23/94/1094322394.db2.gz ZLUOMWLCTFCEGV-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncoc1CN(C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441040408 1094334188 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ASFNGTQDXURVJE-HIFRSBDPSA-N 2 0 335.414 2.392 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)ncn1 ZINC001441910858 1096085144 /nfs/dbraw/zinc/08/51/44/1096085144.db2.gz COKDLWIHXACMEA-MRXNPFEDSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCC1CCOCC1 ZINC001441913512 1096089640 /nfs/dbraw/zinc/08/96/40/1096089640.db2.gz YGIPPRKPUARNOQ-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC001441936986 1096129490 /nfs/dbraw/zinc/12/94/90/1096129490.db2.gz QMDHVMMEHGQUCL-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001442258000 1096560494 /nfs/dbraw/zinc/56/04/94/1096560494.db2.gz NJFXJLVXMKAGMB-WMLDXEAASA-N 2 0 335.517 2.117 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001442261788 1096564632 /nfs/dbraw/zinc/56/46/32/1096564632.db2.gz WVPLCYGPDXRXDP-AWEZNQCLSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)s1 ZINC001442262940 1096566564 /nfs/dbraw/zinc/56/65/64/1096566564.db2.gz RYKTYGOCAYAHIG-XUJLQICISA-N 2 0 338.521 2.117 10 0 EEAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)Cc1cnccc1C ZINC001442677371 1097042006 /nfs/dbraw/zinc/04/20/06/1097042006.db2.gz HWFFICRVGLHVQU-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001442826599 1097216434 /nfs/dbraw/zinc/21/64/34/1097216434.db2.gz NLYSNBTZQQEFDZ-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442910113 1097317110 /nfs/dbraw/zinc/31/71/10/1097317110.db2.gz LMVNWMXFDQXTDR-GOSISDBHSA-N 2 0 343.515 2.325 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001443093462 1097507723 /nfs/dbraw/zinc/50/77/23/1097507723.db2.gz CIAPEFUPYJQEHA-MRXNPFEDSA-N 2 0 339.430 2.342 10 0 EEAERP CCc1onc(C)c1CN1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443439993 1097944502 /nfs/dbraw/zinc/94/45/02/1097944502.db2.gz GHMAEBYFLSCPTO-HNNXBMFYSA-N 2 0 348.491 2.110 10 0 EEAERP COc1ccc(C[NH+]2CC(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001443648172 1098145321 /nfs/dbraw/zinc/14/53/21/1098145321.db2.gz AVTQEWYKUVFBPH-IYBDPMFKSA-N 2 0 345.487 2.116 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001443810856 1098305613 /nfs/dbraw/zinc/30/56/13/1098305613.db2.gz LOCVEXKSCONZOV-IAGOWNOFSA-N 2 0 332.492 2.414 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001479529834 1098597142 /nfs/dbraw/zinc/59/71/42/1098597142.db2.gz WNUFEFBDSBNOEM-RDJZCZTQSA-N 2 0 336.480 2.123 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC001444086571 1098616949 /nfs/dbraw/zinc/61/69/49/1098616949.db2.gz GLWZYPSNHGYDSE-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001444315024 1098875979 /nfs/dbraw/zinc/87/59/79/1098875979.db2.gz VXAVJTNWOOAUOG-MDASCCDHSA-N 2 0 346.519 2.271 10 0 EEAERP CCc1nocc1C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001479868332 1099201596 /nfs/dbraw/zinc/20/15/96/1099201596.db2.gz DAESJIRCQUNPCC-RHSMWYFYSA-N 2 0 348.491 2.048 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCCN(CC=C(Cl)Cl)C2CC2)C1 ZINC001479880265 1099247135 /nfs/dbraw/zinc/24/71/35/1099247135.db2.gz QFVRAZXFRUEULJ-GFCCVEGCSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)c(C)n1 ZINC001444534371 1099306025 /nfs/dbraw/zinc/30/60/25/1099306025.db2.gz IOQLTKPKGGBIEE-UHFFFAOYSA-N 2 0 344.503 2.313 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001444594409 1099420050 /nfs/dbraw/zinc/42/00/50/1099420050.db2.gz LTJHCSAXXSANDE-AYOQOUSVSA-N 2 0 347.503 2.362 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001444647687 1099477429 /nfs/dbraw/zinc/47/74/29/1099477429.db2.gz GJNUICXTRUYLCY-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001480022559 1099503025 /nfs/dbraw/zinc/50/30/25/1099503025.db2.gz YOTLRRYCNAQWTQ-BJZITVGISA-N 2 0 347.478 2.193 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC001444790606 1099703339 /nfs/dbraw/zinc/70/33/39/1099703339.db2.gz SWHZWPSTNCCVDS-SJLPKXTDSA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001444855909 1099841086 /nfs/dbraw/zinc/84/10/86/1099841086.db2.gz FBSSJCPIHLEGGD-HOTGVXAUSA-N 2 0 339.430 2.289 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001480231393 1099856370 /nfs/dbraw/zinc/85/63/70/1099856370.db2.gz GRFWDRQILMTKFT-GASCZTMLSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)sc1C ZINC001480263553 1099950498 /nfs/dbraw/zinc/95/04/98/1099950498.db2.gz UKKXTGJWECTBSX-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001480294747 1100008549 /nfs/dbraw/zinc/00/85/49/1100008549.db2.gz OGDKPFZHEUJXTL-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480301833 1100019653 /nfs/dbraw/zinc/01/96/53/1100019653.db2.gz ZYNWHJFSAPFCMF-VQTJNVASSA-N 2 0 343.515 2.399 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001480346378 1100114378 /nfs/dbraw/zinc/11/43/78/1100114378.db2.gz RUTRXSQXVIYMBL-LSDHHAIUSA-N 2 0 347.425 2.251 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001480350836 1100121143 /nfs/dbraw/zinc/12/11/43/1100121143.db2.gz DDBZIBRYJGYMKJ-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)C3([NH+](C)C)CCC3)CC2)c(C)o1 ZINC001480403218 1100216581 /nfs/dbraw/zinc/21/65/81/1100216581.db2.gz MZDHNRHADJWKHB-UHFFFAOYSA-N 2 0 348.491 2.293 10 0 EEAERP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001480462536 1100266866 /nfs/dbraw/zinc/26/68/66/1100266866.db2.gz LGUIKCGSZATFNW-HNAYVOBHSA-N 2 0 329.488 2.185 10 0 EEAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001446447839 1100868463 /nfs/dbraw/zinc/86/84/63/1100868463.db2.gz SCNUKIZSFRPLFQ-AEFFLSMTSA-N 2 0 349.523 2.074 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001496302717 1100891255 /nfs/dbraw/zinc/89/12/55/1100891255.db2.gz WYJFUNJFERKPMZ-OAHLLOKOSA-N 2 0 343.462 2.248 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCCC2)c1 ZINC001496321797 1100915991 /nfs/dbraw/zinc/91/59/91/1100915991.db2.gz XQOZAZJNWZNMEW-LJQANCHMSA-N 2 0 346.519 2.496 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1F)C1CC1 ZINC001495232752 1100922072 /nfs/dbraw/zinc/92/20/72/1100922072.db2.gz JOGBQIULQHYXFY-HKUYNNGSSA-N 2 0 333.451 2.294 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001496349534 1100944046 /nfs/dbraw/zinc/94/40/46/1100944046.db2.gz CWUPNGLHDPLGEF-AEFFLSMTSA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495251876 1100948239 /nfs/dbraw/zinc/94/82/39/1100948239.db2.gz XKHBECGPTQDIRH-ICSRJNTNSA-N 2 0 344.503 2.329 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C)c(OC)c2)C1)[NH+](C)C ZINC001446550126 1101018171 /nfs/dbraw/zinc/01/81/71/1101018171.db2.gz MAZOEZIXVRFNLA-XLIONFOSSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001495357494 1101070794 /nfs/dbraw/zinc/07/07/94/1101070794.db2.gz RAMRYCGWEVJUTF-RBSFLKMASA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccsc3)C2)C1 ZINC001446604298 1101101641 /nfs/dbraw/zinc/10/16/41/1101101641.db2.gz KGDCWWKOGCHVHM-QAPCUYQASA-N 2 0 335.517 2.418 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001495517169 1101230039 /nfs/dbraw/zinc/23/00/39/1101230039.db2.gz JERAZYRROYCGHX-MSOLQXFVSA-N 2 0 339.499 2.295 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446682648 1101233866 /nfs/dbraw/zinc/23/38/66/1101233866.db2.gz SLIWORIVZOBXDF-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC2CC2)CCC1(F)F ZINC001446721897 1101290781 /nfs/dbraw/zinc/29/07/81/1101290781.db2.gz BXIGDUZHVQGOCZ-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]C/C=C\c1ccccc1 ZINC001495785889 1101595965 /nfs/dbraw/zinc/59/59/65/1101595965.db2.gz MEHDQRPLZISPKC-NQPDJEJGSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001495807804 1101624381 /nfs/dbraw/zinc/62/43/81/1101624381.db2.gz GDMCWDGDQZSZDR-GJZGRUSLSA-N 2 0 331.451 2.250 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC=C(Cl)Cl)C1 ZINC001496862269 1101628298 /nfs/dbraw/zinc/62/82/98/1101628298.db2.gz ISRBGCUIPHYRTH-QWHCGFSZSA-N 2 0 334.291 2.180 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)CC[C@H]21 ZINC001496862772 1101631452 /nfs/dbraw/zinc/63/14/52/1101631452.db2.gz XRFUAJGXYKKYIC-IFOCYFHOSA-N 2 0 330.476 2.471 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001496924728 1101725975 /nfs/dbraw/zinc/72/59/75/1101725975.db2.gz RCOUMLJACQIODI-RDJZCZTQSA-N 2 0 348.491 2.267 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCC(C)(C)C)C1 ZINC001447042002 1101831308 /nfs/dbraw/zinc/83/13/08/1101831308.db2.gz MXWLAIVUAWZWFT-IBGZPJMESA-N 2 0 341.540 2.098 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496060346 1101994878 /nfs/dbraw/zinc/99/48/78/1101994878.db2.gz FNFCZXJPTMNCLQ-PBFPGSCMSA-N 2 0 339.430 2.242 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001496132554 1102118509 /nfs/dbraw/zinc/11/85/09/1102118509.db2.gz RHJUKYZPAXCHKH-MRXNPFEDSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001496133404 1102120181 /nfs/dbraw/zinc/12/01/81/1102120181.db2.gz WWQQWDLHCOXNIF-JKSUJKDBSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]C[C@@H]2CCCOC2)ccc2c[nH+]cn21 ZINC001497220081 1102145912 /nfs/dbraw/zinc/14/59/12/1102145912.db2.gz IIDORLJJDNTHGG-HOCLYGCPSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497251039 1102193423 /nfs/dbraw/zinc/19/34/23/1102193423.db2.gz CRIWPYPIHYKELD-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)N(C)C(=O)Cc1ncc[nH]1 ZINC001496194349 1102201162 /nfs/dbraw/zinc/20/11/62/1102201162.db2.gz UAROAVSGCSGMNE-ZBEGNZNMSA-N 2 0 348.397 2.354 10 0 EEAERP COC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001447352868 1102507208 /nfs/dbraw/zinc/50/72/08/1102507208.db2.gz BQAHAZCJXVSEDA-MAUKXSAKSA-N 2 0 345.503 2.014 10 0 EEAERP CC(C)C[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCOCC1 ZINC001447493879 1102745046 /nfs/dbraw/zinc/74/50/46/1102745046.db2.gz FRKQYSAUGRQVCW-UHFFFAOYSA-N 2 0 347.503 2.273 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)s1 ZINC001497696976 1102923556 /nfs/dbraw/zinc/92/35/56/1102923556.db2.gz IPNSFOQXYJRMTM-YPTRFEFASA-N 2 0 348.516 2.230 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ocnc2C)[C@H](C)C1 ZINC001447641501 1103032698 /nfs/dbraw/zinc/03/26/98/1103032698.db2.gz XVXOACKWSFHBFN-ZBFHGGJFSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C(Cl)=C/Cl ZINC001447644654 1103039463 /nfs/dbraw/zinc/03/94/63/1103039463.db2.gz RWYBCEKBEJWIEU-KGTXMHTLSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1ccncc1C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001447769168 1103273841 /nfs/dbraw/zinc/27/38/41/1103273841.db2.gz MIHBXQZJDDEFPA-GOSISDBHSA-N 2 0 332.492 2.153 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001447819950 1103384924 /nfs/dbraw/zinc/38/49/24/1103384924.db2.gz CLOMNORZRRYDRQ-KVWWFHCMSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001447820458 1103385479 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COc1cccc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001498425980 1107499177 /nfs/dbraw/zinc/49/91/77/1107499177.db2.gz AJLAWXJAJNEVHC-JKSUJKDBSA-N 2 0 345.487 2.289 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001498773776 1108073871 /nfs/dbraw/zinc/07/38/71/1108073871.db2.gz JUDYJJIRNQBGSX-RBUKOAKNSA-N 2 0 344.503 2.249 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001498788476 1108105093 /nfs/dbraw/zinc/10/50/93/1108105093.db2.gz GYLZAHZDAKDHIA-GOSISDBHSA-N 2 0 339.443 2.332 10 0 EEAERP O=C(NCC[N@H+](CCOC1CCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001493429250 1108141897 /nfs/dbraw/zinc/14/18/97/1108141897.db2.gz HQJUTHLCXGVZEQ-MJGOQNOKSA-N 2 0 349.519 2.153 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498861358 1108237173 /nfs/dbraw/zinc/23/71/73/1108237173.db2.gz CQCIDBUVEKEBBT-DNVCBOLYSA-N 2 0 345.487 2.336 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493549578 1108299132 /nfs/dbraw/zinc/29/91/32/1108299132.db2.gz IJLVWTVDKPQKGW-GOSISDBHSA-N 2 0 333.451 2.024 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(F)c1 ZINC001493612422 1108402965 /nfs/dbraw/zinc/40/29/65/1108402965.db2.gz CSONLBPEMGUKSS-SFHVURJKSA-N 2 0 335.467 2.494 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)C12CC[NH+](CC1)C2 ZINC001493762702 1108637560 /nfs/dbraw/zinc/63/75/60/1108637560.db2.gz DTYZMKLRJUHVKZ-UHFFFAOYSA-N 2 0 327.881 2.045 10 0 EEAERP C[C@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)c1cc(F)ccc1F ZINC001493764806 1108641061 /nfs/dbraw/zinc/64/10/61/1108641061.db2.gz XFVVNHMQJYEZKZ-ZDUSSCGKSA-N 2 0 337.414 2.170 10 0 EEAERP COCC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001493864941 1108756289 /nfs/dbraw/zinc/75/62/89/1108756289.db2.gz QJGGHXNIBUHEMO-UHFFFAOYSA-N 2 0 332.448 2.119 10 0 EEAERP CN(C(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC001465078468 1110410627 /nfs/dbraw/zinc/41/06/27/1110410627.db2.gz XJSKECNRFDYOCY-OAHLLOKOSA-N 2 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CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+](CC)CC ZINC001501169634 1113225946 /nfs/dbraw/zinc/22/59/46/1113225946.db2.gz BKPMRNMUHZGHCP-YYIAUSFCSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001501171800 1113227420 /nfs/dbraw/zinc/22/74/20/1113227420.db2.gz HYLDOFVZPVAGML-HSFUPAIVSA-N 2 0 339.499 2.436 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001501190049 1113235082 /nfs/dbraw/zinc/23/50/82/1113235082.db2.gz MYEBDSMJBQWGNU-AIKGRSRUSA-N 2 0 327.900 2.203 10 0 EEAERP C[C@@H]([NH2+]CC1CCOCC1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001501679670 1113431400 /nfs/dbraw/zinc/43/14/00/1113431400.db2.gz SDHPDLXJKUHRBH-MRXNPFEDSA-N 2 0 347.503 2.332 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccc(CF)cc2)CCC1)C12CC[NH+](CC1)C2 ZINC001502017838 1113560835 /nfs/dbraw/zinc/56/08/35/1113560835.db2.gz XSSCEVYHOHFOFE-UHFFFAOYSA-N 2 0 345.462 2.380 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001502095211 1113585413 /nfs/dbraw/zinc/58/54/13/1113585413.db2.gz WARVXGSFZXIYDT-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001502138649 1113612160 /nfs/dbraw/zinc/61/21/60/1113612160.db2.gz WLGCTAVJJFZGNR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001502346429 1113638409 /nfs/dbraw/zinc/63/84/09/1113638409.db2.gz UEXVBMOJHFGSLP-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccc(Cl)n1)C(=O)[C@H]1CCC[NH+]1C ZINC001502363903 1113647213 /nfs/dbraw/zinc/64/72/13/1113647213.db2.gz UDUOIOKQJIMARY-OAHLLOKOSA-N 2 0 338.883 2.110 10 0 EEAERP CCCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001502834007 1113825739 /nfs/dbraw/zinc/82/57/39/1113825739.db2.gz DFYFUXPFVWTQGA-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]C/C=C/c2ccccc2)C1 ZINC001505536388 1114038640 /nfs/dbraw/zinc/03/86/40/1114038640.db2.gz XBRATFZZDGXDHH-RMKNXTFCSA-N 2 0 327.472 2.280 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001505725385 1114152897 /nfs/dbraw/zinc/15/28/97/1114152897.db2.gz SMDBEZLTEPBKQR-QWHCGFSZSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1cc(C[NH2+][C@H](CCN(C)C(=O)C23CC[NH+](CC2)C3)C(C)C)on1 ZINC001506483727 1114641687 /nfs/dbraw/zinc/64/16/87/1114641687.db2.gz NMYUDVGRBBXDOC-QGZVFWFLSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001506490411 1114646050 /nfs/dbraw/zinc/64/60/50/1114646050.db2.gz RUWFOIAUKGKRNS-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1)[NH+](C)C ZINC001506522147 1114670797 /nfs/dbraw/zinc/67/07/97/1114670797.db2.gz MJLJYVUAUKCSKF-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CC1(C)C[N@H+](CCCF)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001506751708 1114864566 /nfs/dbraw/zinc/86/45/66/1114864566.db2.gz DLLHIQOAEBTNDT-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](C(=O)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12)[NH+](CC)CC ZINC001506812278 1114891248 /nfs/dbraw/zinc/89/12/48/1114891248.db2.gz SFEUERXTKSPRTB-YSDGTUKRSA-N 2 0 327.900 2.153 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001506848474 1114911022 /nfs/dbraw/zinc/91/10/22/1114911022.db2.gz AVDCOHKKKIALPX-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCCC2CCC2)C1 ZINC001506860543 1114926561 /nfs/dbraw/zinc/92/65/61/1114926561.db2.gz XVWKDOVQXAKRGD-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCCC2CCC2)C1 ZINC001506860534 1114926569 /nfs/dbraw/zinc/92/65/69/1114926569.db2.gz XVWKDOVQXAKRGD-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001506905729 1114963641 /nfs/dbraw/zinc/96/36/41/1114963641.db2.gz ARZXFOXPFDMBRX-HDJSIYSDSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001506921034 1114974814 /nfs/dbraw/zinc/97/48/14/1114974814.db2.gz DSDCAQIBHIQENS-FXAWDEMLSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]cnc2C)cs1 ZINC001506947373 1114995471 /nfs/dbraw/zinc/99/54/71/1114995471.db2.gz XKMSHSVFQNZSGZ-NSHDSACASA-N 2 0 335.477 2.100 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@H]2CC(C)(C)CO2)CC1 ZINC001506965262 1115015422 /nfs/dbraw/zinc/01/54/22/1115015422.db2.gz FEJROADMSCORTQ-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001507088004 1115101459 /nfs/dbraw/zinc/10/14/59/1115101459.db2.gz JVDLTDMZGIGSCQ-DOTOQJQBSA-N 2 0 349.523 2.059 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H]1C ZINC001507291960 1115176898 /nfs/dbraw/zinc/17/68/98/1115176898.db2.gz AAOQMLDDGKNYSY-VQIMIIECSA-N 2 0 346.519 2.173 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001507331689 1115196816 /nfs/dbraw/zinc/19/68/16/1115196816.db2.gz QOQMRIVLONEJDT-ROUUACIJSA-N 2 0 345.487 2.049 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCOc2ccccc2)CCC1 ZINC001568139264 1124323972 /nfs/dbraw/zinc/32/39/72/1124323972.db2.gz NKIDYNOUSVMGIN-QGZVFWFLSA-N 2 0 345.487 2.130 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]C/C=C\Cl ZINC001568196724 1124350236 /nfs/dbraw/zinc/35/02/36/1124350236.db2.gz XYUOTSZXRJUHKS-ALMAUONXSA-N 2 0 349.906 2.426 10 0 EEAERP CCCCCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001568227855 1124373765 /nfs/dbraw/zinc/37/37/65/1124373765.db2.gz JDWDHQSULAUARV-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001568650904 1124662171 /nfs/dbraw/zinc/66/21/71/1124662171.db2.gz FLWZBRDQELKBHN-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1 ZINC001568684863 1124697016 /nfs/dbraw/zinc/69/70/16/1124697016.db2.gz LTLRFBCYNNIVID-GOEBONIOSA-N 2 0 338.521 2.390 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568742477 1124756576 /nfs/dbraw/zinc/75/65/76/1124756576.db2.gz UHXMZAWHPVRFNL-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791663 1124805015 /nfs/dbraw/zinc/80/50/15/1124805015.db2.gz PVYSEHXUDNFCDE-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2F)CC[N@@H+]1C ZINC001568852434 1124872516 /nfs/dbraw/zinc/87/25/16/1124872516.db2.gz VWTYIQACJCXGAM-PRXHZCDDSA-N 2 0 337.414 2.067 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001568903287 1124931308 /nfs/dbraw/zinc/93/13/08/1124931308.db2.gz YHNAECNWHXVEGP-KJPDOMRESA-N 2 0 336.505 2.006 10 0 EEAERP COc1cc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001568949426 1124983158 /nfs/dbraw/zinc/98/31/58/1124983158.db2.gz CIZJLALKPVRWNZ-PYTPGESOSA-N 2 0 345.487 2.107 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CCCn1ccnc1 ZINC001569040668 1125059543 /nfs/dbraw/zinc/05/95/43/1125059543.db2.gz IJNRVNTYNGRWLN-CYBMUJFWSA-N 2 0 335.839 2.006 10 0 EEAERP C[C@H](C[N@H+](C)CCCCc1ccccc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569151811 1125129850 /nfs/dbraw/zinc/12/98/50/1125129850.db2.gz PCZQHTJRIYATPQ-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001569167701 1125141204 /nfs/dbraw/zinc/14/12/04/1125141204.db2.gz DQHUPQICLPPKQY-QZTJIDSGSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001569323714 1125229239 /nfs/dbraw/zinc/22/92/39/1125229239.db2.gz JEXJPJMHSUAAFU-QGZVFWFLSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055064883 214268881 /nfs/dbraw/zinc/26/88/81/214268881.db2.gz CZEPLXPCQUWMRE-RYUDHWBXSA-N 2 0 330.270 2.458 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccccc2Br)CC1 ZINC000069370686 215391673 /nfs/dbraw/zinc/39/16/73/215391673.db2.gz XHJNFMDWLCXCES-UHFFFAOYSA-N 2 0 327.266 2.243 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(Br)ccc1F ZINC000422701513 240185871 /nfs/dbraw/zinc/18/58/71/240185871.db2.gz ITAGZGWIXDKNLV-ZDUSSCGKSA-N 2 0 333.245 2.474 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000423186833 240399140 /nfs/dbraw/zinc/39/91/40/240399140.db2.gz OXROTYSXYUTRJR-INIZCTEOSA-N 2 0 340.471 2.172 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000178629607 255910694 /nfs/dbraw/zinc/91/06/94/255910694.db2.gz ZNLXWHILEIIHSI-UHFFFAOYSA-N 2 0 336.524 2.280 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000248555874 160349990 /nfs/dbraw/zinc/34/99/90/160349990.db2.gz BKCSQNCXBFLQDF-QZTJIDSGSA-N 2 0 330.476 2.167 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000354078098 153092311 /nfs/dbraw/zinc/09/23/11/153092311.db2.gz NCMTZPOFYIVNAP-LJQANCHMSA-N 2 0 343.475 2.200 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC000127835545 292331611 /nfs/dbraw/zinc/33/16/11/292331611.db2.gz NWXHGTKFERHDPY-IAGOWNOFSA-N 2 0 326.529 2.477 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186465267 160071449 /nfs/dbraw/zinc/07/14/49/160071449.db2.gz LWISUNSRTRVBQY-QGZVFWFLSA-N 2 0 345.491 2.178 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190493975 160161564 /nfs/dbraw/zinc/16/15/64/160161564.db2.gz VOGXUQSEDSHZSZ-QWFCFKBJSA-N 2 0 337.552 2.418 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000245474135 160238153 /nfs/dbraw/zinc/23/81/53/160238153.db2.gz QQXWVQWKWPRITC-RTBURBONSA-N 2 0 346.519 2.285 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000246445595 160279303 /nfs/dbraw/zinc/27/93/03/160279303.db2.gz NVJBXJWWTPPHRS-QCLGFWRNSA-N 2 0 336.524 2.373 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246497108 160282040 /nfs/dbraw/zinc/28/20/40/160282040.db2.gz SGEMYQOGDYTXJS-MSOLQXFVSA-N 2 0 336.524 2.234 10 0 EEAERP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247247876 160316989 /nfs/dbraw/zinc/31/69/89/160316989.db2.gz SWCOFXXNXAVTOV-DLBZAZTESA-N 2 0 347.503 2.347 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000247942598 160333792 /nfs/dbraw/zinc/33/37/92/160333792.db2.gz GPIWIJRKNXVMCE-CRAIPNDOSA-N 2 0 331.460 2.440 10 0 EEAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555847 161146281 /nfs/dbraw/zinc/14/62/81/161146281.db2.gz FZXRXSYGZJHFRY-PZJWPPBQSA-N 2 0 344.547 2.124 10 0 EEAERP C[C@H](c1nc(C(C)(C)C)no1)N(C)CCC[N@H+](C)CCN(C)C ZINC000344041539 161192753 /nfs/dbraw/zinc/19/27/53/161192753.db2.gz WEZWPAPHRKAKJV-CQSZACIVSA-N 2 0 325.501 2.243 10 0 EEAERP c1cn(-c2csc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2)cn1 ZINC000346131369 161359962 /nfs/dbraw/zinc/35/99/62/161359962.db2.gz AXIKDPWWQOFONZ-UHFFFAOYSA-N 2 0 346.500 2.478 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000367652802 165989349 /nfs/dbraw/zinc/98/93/49/165989349.db2.gz ICVLGYNQKGJBHR-LPOKXYRGSA-N 2 0 329.488 2.170 10 0 EEAERP Fc1cnc(N2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)nc1 ZINC000355520478 163219783 /nfs/dbraw/zinc/21/97/83/163219783.db2.gz XRSIBWWBXRZZLL-UHFFFAOYSA-N 2 0 344.419 2.185 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000152705021 276194827 /nfs/dbraw/zinc/19/48/27/276194827.db2.gz UWHVWQRVQMLKLX-DAWZGUTISA-N 2 0 336.524 2.375 10 0 EEAERP CC[NH+](CC)[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422734528 276340569 /nfs/dbraw/zinc/34/05/69/276340569.db2.gz TZAXHISEKXUMLJ-AQNXPRMDSA-N 2 0 331.504 2.426 10 0 EEAERP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2ccccc2)cc1OC ZINC000263246570 277818317 /nfs/dbraw/zinc/81/83/17/277818317.db2.gz PIKCQKCYZWPNQH-FUHWJXTLSA-N 2 0 342.439 2.041 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000372203679 279201863 /nfs/dbraw/zinc/20/18/63/279201863.db2.gz JAWSMBTUDPFEOP-ZWKOTPCHSA-N 2 0 348.466 2.354 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000339265777 312254067 /nfs/dbraw/zinc/25/40/67/312254067.db2.gz VNNUZRWZQFMKHL-HZPDHXFCSA-N 2 0 332.492 2.241 10 0 EEAERP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)c1 ZINC000414714855 313068191 /nfs/dbraw/zinc/06/81/91/313068191.db2.gz QKPWASVXKNFZCV-ZWKOTPCHSA-N 2 0 329.488 2.290 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416807572 313320934 /nfs/dbraw/zinc/32/09/34/313320934.db2.gz HFFCIXZFKNMHQP-DLBZAZTESA-N 2 0 346.475 2.343 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416807152 313321045 /nfs/dbraw/zinc/32/10/45/313321045.db2.gz GSBUGPFPXHELOJ-BRWVUGGUSA-N 2 0 346.475 2.200 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416834055 313329016 /nfs/dbraw/zinc/32/90/16/313329016.db2.gz CZXONVSCSWHPCA-UYAOXDASSA-N 2 0 342.487 2.046 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000416847283 313335034 /nfs/dbraw/zinc/33/50/34/313335034.db2.gz VFXAPXQAMWVVQU-OALUTQOASA-N 2 0 344.503 2.388 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416888795 313350219 /nfs/dbraw/zinc/35/02/19/313350219.db2.gz HKJAKZWCISARBL-LJQANCHMSA-N 2 0 342.487 2.318 10 0 EEAERP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000417657444 313557409 /nfs/dbraw/zinc/55/74/09/313557409.db2.gz HVIPEHYHAZAYPZ-HIFRSBDPSA-N 2 0 336.455 2.075 10 0 EEAERP CC(C)(C(=O)NCCC[NH2+]Cc1cccnc1)[C@@H]([NH3+])c1ccccc1 ZINC000417819795 313606594 /nfs/dbraw/zinc/60/65/94/313606594.db2.gz XOHXKXBMIOZPIZ-SFHVURJKSA-N 2 0 340.471 2.404 10 0 EEAERP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418452305 313817873 /nfs/dbraw/zinc/81/78/73/313817873.db2.gz NSNVBZGOUUUTAX-SFHVURJKSA-N 2 0 326.444 2.247 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000418671451 313876995 /nfs/dbraw/zinc/87/69/95/313876995.db2.gz LOZFBZXXSLRAEB-KSZLIROESA-N 2 0 330.476 2.108 10 0 EEAERP O=C(NC[C@H]1CC[NH+]1C1CCCC1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528291231 317354932 /nfs/dbraw/zinc/35/49/32/317354932.db2.gz CVDMOPWACLLYGN-QZTJIDSGSA-N 2 0 334.508 2.319 10 0 EEAERP CO[C@@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000528414080 317380166 /nfs/dbraw/zinc/38/01/66/317380166.db2.gz AJOJIWFPURRGDU-OALUTQOASA-N 2 0 335.467 2.225 10 0 EEAERP COc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000530217509 317701216 /nfs/dbraw/zinc/70/12/16/317701216.db2.gz BXDJSGOTGPKTLI-XLIONFOSSA-N 2 0 339.439 2.478 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000530243064 317703761 /nfs/dbraw/zinc/70/37/61/317703761.db2.gz VINUXGWFCSNQGH-SFHVURJKSA-N 2 0 331.460 2.106 10 0 EEAERP C[C@H]1C[C@H](CC[NH2+]C2CCN(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000536828867 318010487 /nfs/dbraw/zinc/01/04/87/318010487.db2.gz WSHZTISRWRBKKZ-WMZOPIPTSA-N 2 0 344.503 2.420 10 0 EEAERP CN(CCC(=O)NCC[N@H+](C)Cc1ccccc1)c1cc[nH+]cc1 ZINC000543716442 318167862 /nfs/dbraw/zinc/16/78/62/318167862.db2.gz LHXNJQSOEMKVLO-UHFFFAOYSA-N 2 0 326.444 2.156 10 0 EEAERP O=C(Nc1cccc2c1CC[NH2+]C2)NC1CC([NH+]2CCCCC2)C1 ZINC000563499044 319016211 /nfs/dbraw/zinc/01/62/11/319016211.db2.gz JSFXDESGAVUZSV-UHFFFAOYSA-N 2 0 328.460 2.471 10 0 EEAERP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000566797751 319322147 /nfs/dbraw/zinc/32/21/47/319322147.db2.gz NWRAKHSFFSUUSH-ILCGBQQYSA-N 2 0 345.531 2.393 10 0 EEAERP [NH3+]C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000575236178 320098005 /nfs/dbraw/zinc/09/80/05/320098005.db2.gz KIROHPVNSPRFKS-MOPGFXCFSA-N 2 0 338.455 2.376 10 0 EEAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000577095446 320232330 /nfs/dbraw/zinc/23/23/30/320232330.db2.gz PRDIFUGJXFKTBY-IPJUCJBFSA-N 2 0 344.503 2.210 10 0 EEAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000580429190 324061018 /nfs/dbraw/zinc/06/10/18/324061018.db2.gz VXTWJACCRBNWHB-OAHLLOKOSA-N 2 0 339.443 2.335 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000580539097 324082998 /nfs/dbraw/zinc/08/29/98/324082998.db2.gz IBDTWNNDHCOMJG-VQIMIIECSA-N 2 0 344.503 2.257 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000341468618 465183087 /nfs/dbraw/zinc/18/30/87/465183087.db2.gz UWCOHTSFXXOOBO-KURKYZTESA-N 2 0 334.508 2.273 10 0 EEAERP C[C@@H]1C[N@@H+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000358733917 465291290 /nfs/dbraw/zinc/29/12/90/465291290.db2.gz NKPAZGGPNLJWNB-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347903160 465299328 /nfs/dbraw/zinc/29/93/28/465299328.db2.gz WOGGYWGINNHFMS-RBUKOAKNSA-N 2 0 327.472 2.346 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074229160 462573127 /nfs/dbraw/zinc/57/31/27/462573127.db2.gz KLXPUWRLVVOIEV-MSOLQXFVSA-N 2 0 342.487 2.302 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](C2CC2)CC1 ZINC000061603996 462591944 /nfs/dbraw/zinc/59/19/44/462591944.db2.gz ALFWFKNOAMRBDM-IBGZPJMESA-N 2 0 327.472 2.348 10 0 EEAERP CN1CC[C@H](NC(=O)Cn2ccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129776468 462724610 /nfs/dbraw/zinc/72/46/10/462724610.db2.gz GOXJSQVBUZMGAZ-HOCLYGCPSA-N 2 0 336.798 2.237 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694430 462725309 /nfs/dbraw/zinc/72/53/09/462725309.db2.gz ZUCKKHQYWGHJJD-CQSZACIVSA-N 2 0 338.471 2.417 10 0 EEAERP Cc1oc(-c2ccco2)nc1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000075602870 462736837 /nfs/dbraw/zinc/73/68/37/462736837.db2.gz AVFVAYBGHIVQOI-CYBMUJFWSA-N 2 0 333.432 2.425 10 0 EEAERP CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000568288709 468315988 /nfs/dbraw/zinc/31/59/88/468315988.db2.gz IBALUNKWMFXCBG-NJAFHUGGSA-N 2 0 330.476 2.215 10 0 EEAERP CC(C)[N@H+]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000131855726 462830361 /nfs/dbraw/zinc/83/03/61/462830361.db2.gz SECKJLJXQNHRKY-WMZOPIPTSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000067269544 462985508 /nfs/dbraw/zinc/98/55/08/462985508.db2.gz QTWHIBHSQXOGQD-QGZVFWFLSA-N 2 0 347.503 2.477 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000535787784 468331001 /nfs/dbraw/zinc/33/10/01/468331001.db2.gz IQZNGVPHZCASHG-HZPDHXFCSA-N 2 0 330.476 2.157 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000156634656 463051041 /nfs/dbraw/zinc/05/10/41/463051041.db2.gz LZZJVHINZDZOEZ-QGZVFWFLSA-N 2 0 345.491 2.032 10 0 EEAERP C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000079690018 463240920 /nfs/dbraw/zinc/24/09/20/463240920.db2.gz LCNPGIIPBNSBIT-KRWDZBQOSA-N 2 0 336.524 2.378 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000069415765 463241718 /nfs/dbraw/zinc/24/17/18/463241718.db2.gz SOIPZVNZTDSBIL-UHFFFAOYSA-N 2 0 348.878 2.320 10 0 EEAERP CC[N@H+](CCO)CCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579352723 468346270 /nfs/dbraw/zinc/34/62/70/468346270.db2.gz JARQNACTOLCASO-LJQANCHMSA-N 2 0 331.504 2.087 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000105862420 463480309 /nfs/dbraw/zinc/48/03/09/463480309.db2.gz FHNKOVOITRPFRD-KRWDZBQOSA-N 2 0 342.487 2.397 10 0 EEAERP CN(C(=O)C[NH+]1CCC(Cc2nccn2C)CC1)C1CCCCC1 ZINC000105875950 463484413 /nfs/dbraw/zinc/48/44/13/463484413.db2.gz RHZDGZNEMBLMGT-UHFFFAOYSA-N 2 0 332.492 2.466 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000043239708 463629683 /nfs/dbraw/zinc/62/96/83/463629683.db2.gz FQWRDIDZPOLCFO-PKOBYXMFSA-N 2 0 344.503 2.435 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000073949214 463673781 /nfs/dbraw/zinc/67/37/81/463673781.db2.gz KINQSACDAOOIJD-HZPDHXFCSA-N 2 0 329.554 2.250 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1cccc1 ZINC000522649788 468373824 /nfs/dbraw/zinc/37/38/24/468373824.db2.gz AHQYSZBHETWPCP-MSOLQXFVSA-N 2 0 334.508 2.314 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000268883917 463792942 /nfs/dbraw/zinc/79/29/42/463792942.db2.gz YNQMAQDLWOWRNI-NRSPTQNISA-N 2 0 345.531 2.333 10 0 EEAERP CCC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185849358 463891051 /nfs/dbraw/zinc/89/10/51/463891051.db2.gz MWWVQPWKLSTFGP-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261907018 463895552 /nfs/dbraw/zinc/89/55/52/463895552.db2.gz IMBSKZYOZMDBTL-QRVBRYPASA-N 2 0 345.487 2.073 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000173953302 464338157 /nfs/dbraw/zinc/33/81/57/464338157.db2.gz YXAXOCXMWNVHNB-DOTOQJQBSA-N 2 0 345.491 2.175 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000181050569 464439809 /nfs/dbraw/zinc/43/98/09/464439809.db2.gz ZIBZRUOGZMRLHM-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP Cn1c(CN2CCC(CCC[NH+]3CCOCC3)CC2)nnc1C1CC1 ZINC000182956659 464764558 /nfs/dbraw/zinc/76/45/58/464764558.db2.gz IMMIBAJHNIOMCV-UHFFFAOYSA-N 2 0 347.507 2.017 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000176453741 464777825 /nfs/dbraw/zinc/77/78/25/464777825.db2.gz IHOICOAYGTTWMB-MRXNPFEDSA-N 2 0 347.507 2.388 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249685401 464903015 /nfs/dbraw/zinc/90/30/15/464903015.db2.gz GHRQIHUTSDIGJZ-IEBWSBKVSA-N 2 0 346.519 2.190 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000267207527 464921341 /nfs/dbraw/zinc/92/13/41/464921341.db2.gz GWKDRMBOGDJHGP-QWFCFKBJSA-N 2 0 331.504 2.380 10 0 EEAERP Cc1ccsc1[C@@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000337357104 465326095 /nfs/dbraw/zinc/32/60/95/465326095.db2.gz CDXSZQXWZYLZES-MRXNPFEDSA-N 2 0 325.522 2.096 10 0 EEAERP COC(=O)c1oc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000597057636 468430295 /nfs/dbraw/zinc/43/02/95/468430295.db2.gz HKMPVMVIUZIBAA-HNNXBMFYSA-N 2 0 336.432 2.108 10 0 EEAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339567223 465353973 /nfs/dbraw/zinc/35/39/73/465353973.db2.gz FXXJLMZHGWBKCW-BRWVUGGUSA-N 2 0 329.488 2.496 10 0 EEAERP c1nn2ccccc2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000359884739 465501705 /nfs/dbraw/zinc/50/17/05/465501705.db2.gz YZDDPRMJFFHXMF-UHFFFAOYSA-N 2 0 328.460 2.269 10 0 EEAERP Cc1nc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(N(C)C)n1 ZINC000343759295 465549922 /nfs/dbraw/zinc/54/99/22/465549922.db2.gz HPRSRMWTRVPBSG-CZUORRHYSA-N 2 0 328.464 2.658 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000362469892 465764930 /nfs/dbraw/zinc/76/49/30/465764930.db2.gz DATKAAFXRSXZEA-XWTMOSNGSA-N 2 0 336.524 2.375 10 0 EEAERP CCSCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348924182 465875440 /nfs/dbraw/zinc/87/54/40/465875440.db2.gz VKUHBXFOJZGXCU-UHFFFAOYSA-N 2 0 327.538 2.054 10 0 EEAERP Cc1nc2c(c(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)n1)CCCC2 ZINC000302030825 466082216 /nfs/dbraw/zinc/08/22/16/466082216.db2.gz BWGCXVWLRAKSJT-QGZVFWFLSA-N 2 0 343.519 2.270 10 0 EEAERP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000331906675 466298148 /nfs/dbraw/zinc/29/81/48/466298148.db2.gz LFXMDUNEHXVFHI-BZZMCLGOSA-N 2 0 330.476 2.201 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358182179 466520353 /nfs/dbraw/zinc/52/03/53/466520353.db2.gz DXKRBQILSGZLJS-KRWDZBQOSA-N 2 0 336.524 2.448 10 0 EEAERP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311156995 466522018 /nfs/dbraw/zinc/52/20/18/466522018.db2.gz XKGVZCQYERZEKV-PMACEKPBSA-N 2 0 337.467 2.289 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000364858365 466717346 /nfs/dbraw/zinc/71/73/46/466717346.db2.gz LYQKNBBWYIHDBL-XUVXKRRUSA-N 2 0 337.552 2.445 10 0 EEAERP CCC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccn1 ZINC000423391419 466736967 /nfs/dbraw/zinc/73/69/67/466736967.db2.gz PKGKQVUAFJOQRQ-DZGCQCFKSA-N 2 0 330.398 2.349 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000417061658 466768383 /nfs/dbraw/zinc/76/83/83/466768383.db2.gz FZIPKNNRDLPBAH-SFHVURJKSA-N 2 0 326.444 2.247 10 0 EEAERP CSc1ccc(OC[C@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000411760588 466895145 /nfs/dbraw/zinc/89/51/45/466895145.db2.gz SMPPXPBIHROWLF-QAPCUYQASA-N 2 0 336.501 2.176 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H]1c1cccs1 ZINC000417737751 466920528 /nfs/dbraw/zinc/92/05/28/466920528.db2.gz OFDGMZIWUPFDIT-AESZEHBQSA-N 2 0 348.516 2.134 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000370671546 466960791 /nfs/dbraw/zinc/96/07/91/466960791.db2.gz UCTKWKNZJFZOIB-MISYRCLQSA-N 2 0 331.504 2.207 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000418112025 467048837 /nfs/dbraw/zinc/04/88/37/467048837.db2.gz HLBVFDHXLUMGRO-HOTGVXAUSA-N 2 0 348.491 2.006 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418136350 467056257 /nfs/dbraw/zinc/05/62/57/467056257.db2.gz QHJSOSNATLIHJA-RYQLBKOJSA-N 2 0 334.508 2.177 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418148207 467058447 /nfs/dbraw/zinc/05/84/47/467058447.db2.gz REJISHLSSLCIHU-ATZDWAIDSA-N 2 0 344.503 2.194 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C[C@@H]1C ZINC000418330869 467094180 /nfs/dbraw/zinc/09/41/80/467094180.db2.gz QTUZCPFTWITUKG-FUHWJXTLSA-N 2 0 347.507 2.076 10 0 EEAERP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418432873 467110139 /nfs/dbraw/zinc/11/01/39/467110139.db2.gz CJQIEQDUYNDCKE-ZACQAIPSSA-N 2 0 336.455 2.025 10 0 EEAERP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418467688 467115529 /nfs/dbraw/zinc/11/55/29/467115529.db2.gz OVHIFIPZOKEZRA-ZWKOTPCHSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418582619 467131854 /nfs/dbraw/zinc/13/18/54/467131854.db2.gz ABURMXAKMGPOQC-WMZOPIPTSA-N 2 0 336.524 2.282 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000418652841 467141299 /nfs/dbraw/zinc/14/12/99/467141299.db2.gz NMYKNVDACKHPJU-BMGDILEWSA-N 2 0 332.492 2.230 10 0 EEAERP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388520623 467396391 /nfs/dbraw/zinc/39/63/91/467396391.db2.gz QILXAZJEXKQFIW-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000414309972 467400331 /nfs/dbraw/zinc/40/03/31/467400331.db2.gz SIOYOPHEJYRERT-QGZVFWFLSA-N 2 0 332.488 2.418 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436236404 467524349 /nfs/dbraw/zinc/52/43/49/467524349.db2.gz FPTXTHZAIXIPSX-IPMKNSEASA-N 2 0 329.488 2.500 10 0 EEAERP C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000449114901 467619320 /nfs/dbraw/zinc/61/93/20/467619320.db2.gz FNTHMAJSBSFYQW-OAHLLOKOSA-N 2 0 329.444 2.292 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC000449155906 467621332 /nfs/dbraw/zinc/62/13/32/467621332.db2.gz CLABHWZTBILBEA-QFBILLFUSA-N 2 0 329.488 2.292 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2(CO)CC2)CC1 ZINC000449579726 467666014 /nfs/dbraw/zinc/66/60/14/467666014.db2.gz JGCLHEBYRQDOHV-UHFFFAOYSA-N 2 0 331.504 2.471 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000449748245 467707225 /nfs/dbraw/zinc/70/72/25/467707225.db2.gz BBZLDXBVQPXXTR-UHFFFAOYSA-N 2 0 335.492 2.210 10 0 EEAERP Cc1cncn1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528737292 467743387 /nfs/dbraw/zinc/74/33/87/467743387.db2.gz QSPOYVQWEKTPLX-SFHVURJKSA-N 2 0 326.444 2.315 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000514720174 467950921 /nfs/dbraw/zinc/95/09/21/467950921.db2.gz MZHWDWCBUJLSSP-IIAWOOMASA-N 2 0 345.491 2.282 10 0 EEAERP Cc1cccc(Cl)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000515453578 467992207 /nfs/dbraw/zinc/99/22/07/467992207.db2.gz NXRIXZRBWWKSOF-UHFFFAOYSA-N 2 0 325.884 2.143 10 0 EEAERP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000516200469 468019104 /nfs/dbraw/zinc/01/91/04/468019104.db2.gz KFQKXRJIXCDNME-RCCFBDPRSA-N 2 0 331.460 2.234 10 0 EEAERP CC(C)CC[C@@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000570921344 468713680 /nfs/dbraw/zinc/71/36/80/468713680.db2.gz XKNWWARYMSFMIM-GOSISDBHSA-N 2 0 325.541 2.323 10 0 EEAERP CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571523760 468800849 /nfs/dbraw/zinc/80/08/49/468800849.db2.gz VQGHNQBJPKKBKA-KOZAUXTDSA-N 2 0 339.842 2.468 10 0 EEAERP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000593602250 469054817 /nfs/dbraw/zinc/05/48/17/469054817.db2.gz NCOJTRKWIAOKGB-HNNXBMFYSA-N 2 0 328.497 2.181 10 0 EEAERP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593730456 469113254 /nfs/dbraw/zinc/11/32/54/469113254.db2.gz MUJLNDMTDXPYPS-JQHSSLGASA-N 2 0 332.444 2.334 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](Cc2ccc(F)cc2C)C(=O)NC)[C@@H](C)C1 ZINC000563127519 469176786 /nfs/dbraw/zinc/17/67/86/469176786.db2.gz YGHLUXDHFNESGV-IEZWGBDMSA-N 2 0 349.494 2.359 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)CC[NH2+]CC1 ZINC000596650423 469322264 /nfs/dbraw/zinc/32/22/64/469322264.db2.gz IDLNJULFJGQEKP-DYVFJYSZSA-N 2 0 331.460 2.167 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000618991181 469492008 /nfs/dbraw/zinc/49/20/08/469492008.db2.gz VEAISOIFHFRYOZ-QGZVFWFLSA-N 2 0 347.503 2.477 10 0 EEAERP Cn1c(C[NH2+]CCOCCC[NH3+])nc2cc(C(F)(F)F)ccc21 ZINC000629400245 469531368 /nfs/dbraw/zinc/53/13/68/469531368.db2.gz RBOUJNSOAWFOPE-UHFFFAOYSA-N 2 0 330.354 2.047 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000629538552 469574466 /nfs/dbraw/zinc/57/44/66/469574466.db2.gz NTYMDYWRMXALNC-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC1(C)C ZINC000623486160 469672006 /nfs/dbraw/zinc/67/20/06/469672006.db2.gz PHHQZHZGQGUWRX-GJZGRUSLSA-N 2 0 337.895 2.446 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000607236563 469677845 /nfs/dbraw/zinc/67/78/45/469677845.db2.gz VHDHONYCZQHFBY-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000626931263 469759283 /nfs/dbraw/zinc/75/92/83/469759283.db2.gz ZLHOMNUDWVMTDH-RBUKOAKNSA-N 2 0 344.503 2.399 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617701739 469765464 /nfs/dbraw/zinc/76/54/64/469765464.db2.gz APCVBDPBLYCKHN-MAUKXSAKSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000623916330 469795746 /nfs/dbraw/zinc/79/57/46/469795746.db2.gz LZVBJKDIZICVBR-YJBOKZPZSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000627033892 469797282 /nfs/dbraw/zinc/79/72/82/469797282.db2.gz XLVIVXYHIOCMAH-QOJCHSLYSA-N 2 0 344.503 2.319 10 0 EEAERP O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000613862411 469807467 /nfs/dbraw/zinc/80/74/67/469807467.db2.gz XTRHGUJCJYZPRM-IBGZPJMESA-N 2 0 327.472 2.173 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C[NH2+]1 ZINC000627195073 469840431 /nfs/dbraw/zinc/84/04/31/469840431.db2.gz ISBHOAIJPDBULQ-SJLPKXTDSA-N 2 0 336.524 2.425 10 0 EEAERP Cn1ccnc1C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000608648146 469853139 /nfs/dbraw/zinc/85/31/39/469853139.db2.gz NVWFAQZUOANOLV-SJORKVTESA-N 2 0 341.459 2.097 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCCOCC2)CC1 ZINC000627740275 469987765 /nfs/dbraw/zinc/98/77/65/469987765.db2.gz IRDACAAJFCBVAU-LJQANCHMSA-N 2 0 349.519 2.107 10 0 EEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631113594 470072206 /nfs/dbraw/zinc/07/22/06/470072206.db2.gz IIMGRNYSBZKIIZ-UHFFFAOYSA-N 2 0 333.524 2.189 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C1 ZINC000631646937 470176011 /nfs/dbraw/zinc/17/60/11/470176011.db2.gz PHUWRPNGYPAHGD-FYQPLNBISA-N 2 0 342.483 2.300 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638850821 470304452 /nfs/dbraw/zinc/30/44/52/470304452.db2.gz JUVGIEHLLCENSH-NEPXVJNWSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645951169 470472963 /nfs/dbraw/zinc/47/29/63/470472963.db2.gz DVZZYHLBBBRQFP-IYBDPMFKSA-N 2 0 332.492 2.405 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000646190767 470560693 /nfs/dbraw/zinc/56/06/93/470560693.db2.gz AARATEBDSATAIN-MOPGFXCFSA-N 2 0 338.455 2.390 10 0 EEAERP C[NH+](C)CCN1CC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1=O ZINC000649685592 470666266 /nfs/dbraw/zinc/66/62/66/470666266.db2.gz FSFUSVSJJOOBCP-UHFFFAOYSA-N 2 0 335.414 2.061 10 0 EEAERP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000657313371 471094422 /nfs/dbraw/zinc/09/44/22/471094422.db2.gz PNLAOOKVGJBUBL-LJQANCHMSA-N 2 0 334.460 2.056 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C(C)(C)C)n1 ZINC000654679018 471126654 /nfs/dbraw/zinc/12/66/54/471126654.db2.gz LAGUYOXWZIIDQL-MRXNPFEDSA-N 2 0 349.523 2.126 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652143177 471244416 /nfs/dbraw/zinc/24/44/16/471244416.db2.gz RBYGGGLGRZOEES-UHFFFAOYSA-N 2 0 336.455 2.206 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666214073 471318692 /nfs/dbraw/zinc/31/86/92/471318692.db2.gz QOOUZDHMEDTVTC-HNNXBMFYSA-N 2 0 328.420 2.262 10 0 EEAERP CCN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](CC)C1 ZINC000663623606 471450406 /nfs/dbraw/zinc/45/04/06/471450406.db2.gz KMMFRURERQJYRH-IBGZPJMESA-N 2 0 344.503 2.170 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659035937 471477819 /nfs/dbraw/zinc/47/78/19/471477819.db2.gz PDTNTTMJSMQIGC-QGZVFWFLSA-N 2 0 334.464 2.201 10 0 EEAERP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCc2cccnc21 ZINC000666705268 471501509 /nfs/dbraw/zinc/50/15/09/471501509.db2.gz WAHMLAVCPHUSKS-WMZOPIPTSA-N 2 0 344.503 2.368 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000663775301 471512305 /nfs/dbraw/zinc/51/23/05/471512305.db2.gz WKYSQTKHQQLJGQ-RTBURBONSA-N 2 0 344.503 2.039 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659452233 471634302 /nfs/dbraw/zinc/63/43/02/471634302.db2.gz ZGODLBGJVXOVCK-RTBURBONSA-N 2 0 346.519 2.224 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000659467407 471642300 /nfs/dbraw/zinc/64/23/00/471642300.db2.gz MAIBPIHWNFUDBZ-YCEFEEMOSA-N 2 0 342.487 2.057 10 0 EEAERP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659515535 471663968 /nfs/dbraw/zinc/66/39/68/471663968.db2.gz VLZHTJGYRYPXAH-GOSISDBHSA-N 2 0 344.503 2.197 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577413 471684303 /nfs/dbraw/zinc/68/43/03/471684303.db2.gz SFMRXMMNXSFODI-DZOHQFGASA-N 2 0 330.476 2.043 10 0 EEAERP CCN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000667325303 471735678 /nfs/dbraw/zinc/73/56/78/471735678.db2.gz WCKJNHVFGIYROG-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP CN(C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000667331187 471742121 /nfs/dbraw/zinc/74/21/21/471742121.db2.gz WEIJRVLWAWRSQW-OALUTQOASA-N 2 0 342.487 2.139 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2F)CC2CC2)C1 ZINC000656792747 471842549 /nfs/dbraw/zinc/84/25/49/471842549.db2.gz XEJVSBXLRGBHMS-MRXNPFEDSA-N 2 0 333.451 2.235 10 0 EEAERP CCN(C(=O)NCCc1cn2c(cccc2C)n1)[C@H]1CC[N@H+](CC)C1 ZINC000665217019 471971759 /nfs/dbraw/zinc/97/17/59/471971759.db2.gz VUSMIUQWQYOMHN-KRWDZBQOSA-N 2 0 343.475 2.311 10 0 EEAERP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)C1 ZINC000665272747 471986984 /nfs/dbraw/zinc/98/69/84/471986984.db2.gz JZFQAEGSWUHGMB-ZWKOTPCHSA-N 2 0 328.504 2.201 10 0 EEAERP [NH3+]CCCOC1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000662248019 472041547 /nfs/dbraw/zinc/04/15/47/472041547.db2.gz QYLHEDYMDBIZKT-UHFFFAOYSA-N 2 0 342.386 2.380 10 0 EEAERP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249309 472041610 /nfs/dbraw/zinc/04/16/10/472041610.db2.gz SUYGPUKBMRAVCC-NVXWUHKLSA-N 2 0 332.444 2.362 10 0 EEAERP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000662255192 472044755 /nfs/dbraw/zinc/04/47/55/472044755.db2.gz AYZQFGBYBHIYHI-DOTOQJQBSA-N 2 0 331.460 2.247 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000665639299 472120209 /nfs/dbraw/zinc/12/02/09/472120209.db2.gz UHQDVIZBQXHTEQ-ULQDDVLXSA-N 2 0 326.529 2.479 10 0 EEAERP COc1cccc([C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)[NH+](C)C)c1 ZINC000662662555 472193232 /nfs/dbraw/zinc/19/32/32/472193232.db2.gz GYJKFGVMFPDGHT-KRWDZBQOSA-N 2 0 331.460 2.089 10 0 EEAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668731836 472242764 /nfs/dbraw/zinc/24/27/64/472242764.db2.gz UOWNFZDGSKJKGG-OAHLLOKOSA-N 2 0 327.432 2.004 10 0 EEAERP C[NH+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000673855997 485557593 /nfs/dbraw/zinc/55/75/93/485557593.db2.gz ICXYBXAFXWEVQR-NHCUHLMSSA-N 2 0 345.531 2.143 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CCCC[NH+](C)C)CC1 ZINC000674411570 485726889 /nfs/dbraw/zinc/72/68/89/485726889.db2.gz DUTQJVLRHKPPIF-UHFFFAOYSA-N 2 0 332.492 2.407 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000681655664 486300282 /nfs/dbraw/zinc/30/02/82/486300282.db2.gz UXCDVBKQTYGCDQ-UYAOXDASSA-N 2 0 344.503 2.435 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)C(=O)NCC[NH+](C)C ZINC000777287783 577476134 /nfs/dbraw/zinc/47/61/34/577476134.db2.gz OITGDASMCYACNM-YJBOKZPZSA-N 2 0 347.503 2.365 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCNC1=O ZINC000179395587 683902475 /nfs/dbraw/zinc/90/24/75/683902475.db2.gz OKUJDLYMLPDHQM-GOSISDBHSA-N 2 0 330.476 2.289 10 0 EEAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896939141 685999268 /nfs/dbraw/zinc/99/92/68/685999268.db2.gz IDPUTBBYJIXQGF-IPMKNSEASA-N 2 0 347.503 2.152 10 0 EEAERP C[NH+](C)C[C@H](N[C@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000925716136 686344503 /nfs/dbraw/zinc/34/45/03/686344503.db2.gz BJQPADYLFRMXOW-WFASDCNBSA-N 2 0 332.275 2.174 10 0 EEAERP CCN1CCN(c2ccc(-c3noc([C@@H]4C[C@@H]4C[NH3+])n3)cc2F)CC1 ZINC000904102991 694292038 /nfs/dbraw/zinc/29/20/38/694292038.db2.gz KDRPSCSNDGCFST-ZIAGYGMSSA-N 2 0 345.422 2.080 10 0 EEAERP CC(C)[C@@H](C[NH2+][C@H](C)c1cn2c(n1)CCCC2)N1CC[NH+](C)CC1 ZINC000924634709 692973991 /nfs/dbraw/zinc/97/39/91/692973991.db2.gz ZZBQZZXJSIQITK-SJLPKXTDSA-N 2 0 333.524 2.142 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000905296037 694589763 /nfs/dbraw/zinc/58/97/63/694589763.db2.gz MBUCPBVRKHCZCR-KGLIPLIRSA-N 2 0 344.381 2.492 10 0 EEAERP C[C@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485715041 1191906421 /nfs/dbraw/zinc/90/64/21/1191906421.db2.gz RKPJVVPMCBECTI-DGCLKSJQSA-N 2 0 344.912 2.265 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cc(C)ncn1 ZINC001485750840 1191931892 /nfs/dbraw/zinc/93/18/92/1191931892.db2.gz CBMJIXHFAMIVNS-YJBOKZPZSA-N 2 0 347.507 2.034 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cnoc1C)C1CC1 ZINC001485815158 1191978875 /nfs/dbraw/zinc/97/88/75/1191978875.db2.gz XHRWKTHLWZLSED-ROUUACIJSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1cccc(C)c1OCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001266261924 1176051056 /nfs/dbraw/zinc/05/10/56/1176051056.db2.gz DSIUCERGNSCTLR-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCCCc3ccccc3)C2)C1 ZINC001266565790 1176856495 /nfs/dbraw/zinc/85/64/95/1176856495.db2.gz OMQQOGQDEOBQDN-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccc(C)cc1 ZINC001266718335 1177267776 /nfs/dbraw/zinc/26/77/76/1177267776.db2.gz LWQGFWQDLHMCML-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001266725680 1177311199 /nfs/dbraw/zinc/31/11/99/1177311199.db2.gz PSNOHMQYOVZUAJ-UPJWGTAASA-N 2 0 336.307 2.149 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001266798807 1177451053 /nfs/dbraw/zinc/45/10/53/1177451053.db2.gz PMEBDDLYDSQIML-MRXNPFEDSA-N 2 0 335.467 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001266939913 1177855744 /nfs/dbraw/zinc/85/57/44/1177855744.db2.gz QTMOAYXBGWWGCN-NZSAHSFTSA-N 2 0 347.503 2.198 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCCOC)C1 ZINC001267103934 1178249611 /nfs/dbraw/zinc/24/96/11/1178249611.db2.gz IWGSIJXGMQRZNY-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1C[C@H]1CCCOC1 ZINC001267181872 1178441945 /nfs/dbraw/zinc/44/19/45/1178441945.db2.gz PMKAUFRCKJMBLT-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267418609 1178984632 /nfs/dbraw/zinc/98/46/32/1178984632.db2.gz LJIBEKSARXTCDT-IRXDYDNUSA-N 2 0 347.503 2.282 10 0 EEAERP CC(C)[C@@H](C(=O)NCCN(C)Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001480952105 1179130663 /nfs/dbraw/zinc/13/06/63/1179130663.db2.gz WQVNDGNYQBRAKU-SFHVURJKSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1cncn1CC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC001481100944 1179740497 /nfs/dbraw/zinc/74/04/97/1179740497.db2.gz BEALXKACAVFDAH-MRXNPFEDSA-N 2 0 344.434 2.277 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481108209 1179756792 /nfs/dbraw/zinc/75/67/92/1179756792.db2.gz RJVZVMSODFAOBV-KRWDZBQOSA-N 2 0 349.523 2.052 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001481111247 1179761893 /nfs/dbraw/zinc/76/18/93/1179761893.db2.gz GLGLWMVXTMJWQT-DLBZAZTESA-N 2 0 333.520 2.347 10 0 EEAERP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCCCCOC)C1 ZINC001267790316 1180534612 /nfs/dbraw/zinc/53/46/12/1180534612.db2.gz KGHYYBCAAPTWKZ-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001481276475 1180652525 /nfs/dbraw/zinc/65/25/25/1180652525.db2.gz BWKYHMZWDDJUOQ-UHFFFAOYSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001481302983 1180966897 /nfs/dbraw/zinc/96/68/97/1180966897.db2.gz IMLJLWLQUXNYKF-RTBURBONSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1nc(CN(CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)C)co1 ZINC001481349891 1181092399 /nfs/dbraw/zinc/09/23/99/1181092399.db2.gz AJRJPHNGQXDAEL-GOSISDBHSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC001481350731 1181094458 /nfs/dbraw/zinc/09/44/58/1181094458.db2.gz QDIWPDHVYBNSPB-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001481366827 1181137103 /nfs/dbraw/zinc/13/71/03/1181137103.db2.gz IUBGJLUSZSZVRI-GOSISDBHSA-N 2 0 347.503 2.344 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481452733 1181390871 /nfs/dbraw/zinc/39/08/71/1181390871.db2.gz XCXBKXDXXONLSK-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001268070656 1181668586 /nfs/dbraw/zinc/66/85/86/1181668586.db2.gz JIHJTLWVJXLEHF-DOTOQJQBSA-N 2 0 332.492 2.462 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001268162496 1181878252 /nfs/dbraw/zinc/87/82/52/1181878252.db2.gz JAMJOOXABONWNY-WBVHZDCISA-N 2 0 348.491 2.186 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1)C12CC[NH+](CC1)C2 ZINC001268162752 1181879517 /nfs/dbraw/zinc/87/95/17/1181879517.db2.gz OKDZRZJZJUZQHZ-GOSISDBHSA-N 2 0 342.487 2.038 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cscn1 ZINC001268163356 1181880492 /nfs/dbraw/zinc/88/04/92/1181880492.db2.gz VRIUZDVYKVXMSK-INIZCTEOSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@H]1CCCN(C(=O)CCc2cncn2C)[C@@H]1C[NH2+]CCC1CC1 ZINC001268195463 1181989775 /nfs/dbraw/zinc/98/97/75/1181989775.db2.gz KUXLRXGDNYHXTE-MAUKXSAKSA-N 2 0 332.492 2.370 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001691500574 1182074611 /nfs/dbraw/zinc/07/46/11/1182074611.db2.gz RCHJPLNUTADVNB-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(CO)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389340 1182442288 /nfs/dbraw/zinc/44/22/88/1182442288.db2.gz LQNVRHGJXFLWGT-INIZCTEOSA-N 2 0 347.503 2.038 10 0 EEAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001481753948 1182554525 /nfs/dbraw/zinc/55/45/25/1182554525.db2.gz FJWYCGJPMATSKF-IBGZPJMESA-N 2 0 344.503 2.380 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001481796739 1182714387 /nfs/dbraw/zinc/71/43/87/1182714387.db2.gz FEJIOYPBLIBTEN-YOEHRIQHSA-N 2 0 339.430 2.086 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOc1c(C)cccc1C ZINC001481797913 1182715707 /nfs/dbraw/zinc/71/57/07/1182715707.db2.gz MAWHWQZNJGRIMR-ROUUACIJSA-N 2 0 347.503 2.261 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nc2ccccc2o1 ZINC001481849635 1182798686 /nfs/dbraw/zinc/79/86/86/1182798686.db2.gz LBZYJDYHTDBDES-OAHLLOKOSA-N 2 0 344.459 2.154 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001481850558 1182799649 /nfs/dbraw/zinc/79/96/49/1182799649.db2.gz NMOTWMMDNCGPAJ-KBXCAEBGSA-N 2 0 335.467 2.460 10 0 EEAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]Cc3cncs3)CCCC2)CC1 ZINC001481905677 1182920236 /nfs/dbraw/zinc/92/02/36/1182920236.db2.gz QPQGVCWVGYBIIG-UHFFFAOYSA-N 2 0 336.505 2.004 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)s1 ZINC001268523166 1183177114 /nfs/dbraw/zinc/17/71/14/1183177114.db2.gz PNTXLRJFFFNGRL-XQJDBVBESA-N 2 0 327.881 2.258 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482106596 1183341319 /nfs/dbraw/zinc/34/13/19/1183341319.db2.gz AVSYUOUJVRLKSR-INIZCTEOSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001482128406 1183376749 /nfs/dbraw/zinc/37/67/49/1183376749.db2.gz CJTMFLAMIMRYRS-UKRRQHHQSA-N 2 0 336.480 2.260 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001268628058 1183551672 /nfs/dbraw/zinc/55/16/72/1183551672.db2.gz YPVFLRPOZUDJQM-DLGQBQFBSA-N 2 0 327.881 2.115 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001268639281 1183568801 /nfs/dbraw/zinc/56/88/01/1183568801.db2.gz GHNMZZSKIDDQOA-SELHCGRISA-N 2 0 345.487 2.287 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc2ccccc2)C1 ZINC001268658313 1183588942 /nfs/dbraw/zinc/58/89/42/1183588942.db2.gz HFTMBOYQKVAAHE-IEBWSBKVSA-N 2 0 331.504 2.445 10 0 EEAERP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001268843129 1183761164 /nfs/dbraw/zinc/76/11/64/1183761164.db2.gz DMAACZQHBPOJRU-VGOKWCNXSA-N 2 0 330.476 2.240 10 0 EEAERP CN(CCC[NH2+]CC/C=C/c1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945552 1183839759 /nfs/dbraw/zinc/83/97/59/1183839759.db2.gz FPOWCSVXLRSHCJ-NJGYHNCTSA-N 2 0 329.488 2.480 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269129493 1183988430 /nfs/dbraw/zinc/98/84/30/1183988430.db2.gz LKCCILFEXRNHFK-HUUCEWRRSA-N 2 0 347.425 2.251 10 0 EEAERP CCOCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001269604944 1184430083 /nfs/dbraw/zinc/43/00/83/1184430083.db2.gz LGHZHOWLJVMSIF-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)n1 ZINC001270259963 1184966250 /nfs/dbraw/zinc/96/62/50/1184966250.db2.gz ZMXZQIRXLBQLNT-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482324319 1185370043 /nfs/dbraw/zinc/37/00/43/1185370043.db2.gz VAYUCFONXGLKAA-HNNXBMFYSA-N 2 0 335.467 2.147 10 0 EEAERP COCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001271402645 1186189408 /nfs/dbraw/zinc/18/94/08/1186189408.db2.gz GCCRBBQQLXHSCG-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001271549995 1186310800 /nfs/dbraw/zinc/31/08/00/1186310800.db2.gz AAKHJJOXXAKRLG-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001271628689 1186342799 /nfs/dbraw/zinc/34/27/99/1186342799.db2.gz IYDOKPJODQBBPW-HOTGVXAUSA-N 2 0 349.544 2.459 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001279148991 1186758300 /nfs/dbraw/zinc/75/83/00/1186758300.db2.gz MNTPWHYGZNWHBW-XLIONFOSSA-N 2 0 343.515 2.255 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCc2ccccc2)C2CC2)C1 ZINC001485826164 1193468208 /nfs/dbraw/zinc/46/82/08/1193468208.db2.gz IYASVIKPKTWLER-XLIONFOSSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482817238 1187750344 /nfs/dbraw/zinc/75/03/44/1187750344.db2.gz SRYWKXFDHLGRHN-AAEUAGOBSA-N 2 0 329.897 2.480 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001482835820 1187755100 /nfs/dbraw/zinc/75/51/00/1187755100.db2.gz YXRPITIMXHRUMZ-FRQCXROJSA-N 2 0 347.503 2.158 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482846988 1187765814 /nfs/dbraw/zinc/76/58/14/1187765814.db2.gz NIVYSFFAZKFDBM-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1F ZINC001482865205 1187784913 /nfs/dbraw/zinc/78/49/13/1187784913.db2.gz HIULZTCRXBLADM-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)s1 ZINC001482874663 1187794881 /nfs/dbraw/zinc/79/48/81/1187794881.db2.gz KHFYLMWIHADZFI-CYBMUJFWSA-N 2 0 340.537 2.414 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954579 1187882378 /nfs/dbraw/zinc/88/23/78/1187882378.db2.gz JLEDJFUPTTVPFM-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C1(C[NH+](C)C)CC1 ZINC001482949217 1187889238 /nfs/dbraw/zinc/88/92/38/1187889238.db2.gz UKCYOJKCDJONKW-UHFFFAOYSA-N 2 0 343.515 2.455 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001483022229 1188011345 /nfs/dbraw/zinc/01/13/45/1188011345.db2.gz SKOITSVBCBSIHL-WAVCKPEOSA-N 2 0 338.521 2.108 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001272227224 1188433366 /nfs/dbraw/zinc/43/33/66/1188433366.db2.gz UPEMAAFUVNYFFJ-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP CCC[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001483086013 1188449806 /nfs/dbraw/zinc/44/98/06/1188449806.db2.gz HBUQJAAAAGWOPY-XDXAGZTOSA-N 2 0 333.451 2.417 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001272824100 1193563139 /nfs/dbraw/zinc/56/31/39/1193563139.db2.gz UTLNVUJHNBHJER-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485838104 1193608332 /nfs/dbraw/zinc/60/83/32/1193608332.db2.gz UADSFEXPFORORO-OALUTQOASA-N 2 0 344.503 2.283 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485890522 1193631489 /nfs/dbraw/zinc/63/14/89/1193631489.db2.gz KNKORABODAOYQJ-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)[C@H](C)NC(=O)Cn1ccnc1 ZINC001409478626 1189817429 /nfs/dbraw/zinc/81/74/29/1189817429.db2.gz VDYMBZGIJFOEKK-NEPJUHHUSA-N 2 0 338.814 2.359 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1nccs1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001409501163 1189885622 /nfs/dbraw/zinc/88/56/22/1189885622.db2.gz XELMIELXDZTMQD-CQSZACIVSA-N 2 0 338.521 2.059 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485955642 1193648269 /nfs/dbraw/zinc/64/82/69/1193648269.db2.gz OGRMHSRJKGOJLM-FUHWJXTLSA-N 2 0 347.503 2.362 10 0 EEAERP CO[C@H](C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001409572023 1190054167 /nfs/dbraw/zinc/05/41/67/1190054167.db2.gz AHBWWQJLKBEUFK-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]2CC[C@H](C)C2)cc1C ZINC001409615309 1190101912 /nfs/dbraw/zinc/10/19/12/1190101912.db2.gz INLHXAGYBVKBEM-RDJZCZTQSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)c(C)c1 ZINC001483287509 1190312313 /nfs/dbraw/zinc/31/23/13/1190312313.db2.gz IEVKVZUGCGCKSY-PXNSSMCTSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001483380651 1190423959 /nfs/dbraw/zinc/42/39/59/1190423959.db2.gz CLHKNHAKBFTNJT-AWEZNQCLSA-N 2 0 325.884 2.271 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001486091474 1193678816 /nfs/dbraw/zinc/67/88/16/1193678816.db2.gz SIKXALOTCMOYCI-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1nc(C)sc1C)C1CC1)[NH+](C)C ZINC001483600264 1190579670 /nfs/dbraw/zinc/57/96/70/1190579670.db2.gz GSEMOEWCSFIPQA-JKSUJKDBSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1coc(C)n1 ZINC001483622097 1190607749 /nfs/dbraw/zinc/60/77/49/1190607749.db2.gz LFQFXXUXOOFVSJ-DOTOQJQBSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486122560 1193688186 /nfs/dbraw/zinc/68/81/86/1193688186.db2.gz RWCAQYHYSQWNGP-SJLPKXTDSA-N 2 0 346.519 2.173 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001486144443 1193696488 /nfs/dbraw/zinc/69/64/88/1193696488.db2.gz HAIFXUJJGWCEFV-YQVWRLOYSA-N 2 0 337.508 2.009 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691637106 1190747018 /nfs/dbraw/zinc/74/70/18/1190747018.db2.gz SJIGXORXLTWMTR-SJORKVTESA-N 2 0 327.513 2.114 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001483721659 1190817639 /nfs/dbraw/zinc/81/76/39/1190817639.db2.gz GPNLAQOOHJIUCT-PBHICJAKSA-N 2 0 331.460 2.089 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001272475319 1190840634 /nfs/dbraw/zinc/84/06/34/1190840634.db2.gz OQQRWYYWLADHSM-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP CCc1ccccc1C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001483734790 1190849291 /nfs/dbraw/zinc/84/92/91/1190849291.db2.gz GJAYZYVAZIWBJQ-IBGZPJMESA-N 2 0 341.499 2.329 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001272616491 1190931804 /nfs/dbraw/zinc/93/18/04/1190931804.db2.gz NBFFTMONQCXXCP-CYBMUJFWSA-N 2 0 346.302 2.229 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001272653514 1190964508 /nfs/dbraw/zinc/96/45/08/1190964508.db2.gz QNQCEBZLHUDTEZ-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001272653577 1190964533 /nfs/dbraw/zinc/96/45/33/1190964533.db2.gz RURIFFVOTPJINO-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)CC1 ZINC001483762991 1190995240 /nfs/dbraw/zinc/99/52/40/1190995240.db2.gz RPBJEUATJBBFAU-CYBMUJFWSA-N 2 0 329.435 2.002 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483763563 1190995458 /nfs/dbraw/zinc/99/54/58/1190995458.db2.gz KKEFPPDADIGNIQ-INIZCTEOSA-N 2 0 337.414 2.142 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001483824112 1191074909 /nfs/dbraw/zinc/07/49/09/1191074909.db2.gz BAQTWVWHUROCPG-NXOAAHMSSA-N 2 0 345.478 2.480 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F)CC(C)(C)C ZINC001483944971 1191126515 /nfs/dbraw/zinc/12/65/15/1191126515.db2.gz KRZJBVYUNNSFOC-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccccc2)C1 ZINC001484153540 1191239681 /nfs/dbraw/zinc/23/96/81/1191239681.db2.gz XOPLQSWITKADJX-AZUAARDMSA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484196044 1191267877 /nfs/dbraw/zinc/26/78/77/1191267877.db2.gz PFZRNYQIKZSJDY-AWEZNQCLSA-N 2 0 333.467 2.446 10 0 EEAERP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001484198216 1191269592 /nfs/dbraw/zinc/26/95/92/1191269592.db2.gz QHNWXILHBGMCGU-HOTGVXAUSA-N 2 0 339.430 2.383 10 0 EEAERP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001484198218 1191269860 /nfs/dbraw/zinc/26/98/60/1191269860.db2.gz QHNWXILHBGMCGU-JKSUJKDBSA-N 2 0 339.430 2.383 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cncs1)C2)C1CCC1 ZINC001484316008 1191300525 /nfs/dbraw/zinc/30/05/25/1191300525.db2.gz IJWOMRZAHPEHPY-LZWOXQAQSA-N 2 0 348.516 2.097 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC001484319272 1191302812 /nfs/dbraw/zinc/30/28/12/1191302812.db2.gz YIYNXAPPVSNRGT-OTWHNJEPSA-N 2 0 341.499 2.498 10 0 EEAERP Cc1nccn1CC(=O)N(CC[NH2+]CC1CC1)Cc1ccccc1 ZINC001484401930 1191335682 /nfs/dbraw/zinc/33/56/82/1191335682.db2.gz YIKWCJFOXWSHEW-UHFFFAOYSA-N 2 0 326.444 2.220 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001484550272 1191409744 /nfs/dbraw/zinc/40/97/44/1191409744.db2.gz SCWOFYXMQSEOTL-RTBURBONSA-N 2 0 329.488 2.009 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCCC2)C1)[NH+](CC)CC ZINC001484693221 1191469071 /nfs/dbraw/zinc/46/90/71/1191469071.db2.gz SMLDPFPLBISKSX-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001484876566 1191559902 /nfs/dbraw/zinc/55/99/02/1191559902.db2.gz MURMUWZDKPXPOL-KURKYZTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001484892094 1191566338 /nfs/dbraw/zinc/56/63/38/1191566338.db2.gz NSKFBRRVBOQRGF-MAUKXSAKSA-N 2 0 341.459 2.364 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001484898456 1191568228 /nfs/dbraw/zinc/56/82/28/1191568228.db2.gz XBWRATSTPRIBSU-MAUKXSAKSA-N 2 0 340.471 2.123 10 0 EEAERP Cc1ccc(CC[NH2+]C2(C)CCN(C(=O)Cc3ncc[nH]3)CC2)cc1 ZINC001484925649 1191572876 /nfs/dbraw/zinc/57/28/76/1191572876.db2.gz QTQKYYBUGFZAQF-UHFFFAOYSA-N 2 0 340.471 2.474 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001484996987 1191607404 /nfs/dbraw/zinc/60/74/04/1191607404.db2.gz JFDVRBSQDPXXCF-SOUVJXGZSA-N 2 0 331.451 2.391 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001485107124 1191656646 /nfs/dbraw/zinc/65/66/46/1191656646.db2.gz GFMMKURUWPMEEQ-PNESKVBLSA-N 2 0 334.291 2.132 10 0 EEAERP C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485157540 1191673379 /nfs/dbraw/zinc/67/33/79/1191673379.db2.gz MFHADLMZHCBKQG-OLZOCXBDSA-N 2 0 339.430 2.432 10 0 EEAERP COCc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485186896 1191684968 /nfs/dbraw/zinc/68/49/68/1191684968.db2.gz IKKYUEXHNDDUOB-HZPDHXFCSA-N 2 0 347.503 2.158 10 0 EEAERP COc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)ccc1C ZINC001485320565 1191733829 /nfs/dbraw/zinc/73/38/29/1191733829.db2.gz SDZWZUAJMFBBPM-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1)[NH+](C)C ZINC001485455480 1191791901 /nfs/dbraw/zinc/79/19/01/1191791901.db2.gz MJLJYVUAUKCSKF-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cnc(C[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCCC2)cn1 ZINC001485458732 1191797509 /nfs/dbraw/zinc/79/75/09/1191797509.db2.gz FLFLHDKBWLADPE-UHFFFAOYSA-N 2 0 347.507 2.034 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485485370 1191814898 /nfs/dbraw/zinc/81/48/98/1191814898.db2.gz PVCFSQGUUQLTHD-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001486210431 1193750596 /nfs/dbraw/zinc/75/05/96/1193750596.db2.gz LQGHVBRQOKTGGG-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001486210429 1193750737 /nfs/dbraw/zinc/75/07/37/1193750737.db2.gz LQGHVBRQOKTGGG-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)n1 ZINC001486240260 1193766641 /nfs/dbraw/zinc/76/66/41/1193766641.db2.gz KOAGHWSZOZNCSS-CQSZACIVSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC001486449651 1193964503 /nfs/dbraw/zinc/96/45/03/1193964503.db2.gz KQCJMPBQUNIHFY-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001486481600 1193995757 /nfs/dbraw/zinc/99/57/57/1193995757.db2.gz UYKYACDJSNMCSQ-NFOMZHRRSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1cccc(CCC[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001493600585 1194101158 /nfs/dbraw/zinc/10/11/58/1194101158.db2.gz OFQFKNOPEUFTCN-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052291 1194356772 /nfs/dbraw/zinc/35/67/72/1194356772.db2.gz KJMBZOSJBVKJSC-CRAIPNDOSA-N 2 0 347.507 2.032 10 0 EEAERP CCc1ccccc1C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123395 1194407314 /nfs/dbraw/zinc/40/73/14/1194407314.db2.gz SXEBRRXFCZXEHA-INIZCTEOSA-N 2 0 329.488 2.329 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C/C=C/Cl)C[C@H]2C1)C1CCC1 ZINC001410196668 1197598449 /nfs/dbraw/zinc/59/84/49/1197598449.db2.gz MLBDLLRUEATRTO-ZBHOMTMDSA-N 2 0 339.911 2.440 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1F ZINC001410387388 1197785503 /nfs/dbraw/zinc/78/55/03/1197785503.db2.gz FXXNVUWCJOZFKL-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001410489370 1198042852 /nfs/dbraw/zinc/04/28/52/1198042852.db2.gz AIAJBAPWPARKND-HNNXBMFYSA-N 2 0 328.460 2.200 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001410501898 1198056669 /nfs/dbraw/zinc/05/66/69/1198056669.db2.gz HZTMHRCGWMGXLD-QAPCUYQASA-N 2 0 332.492 2.201 10 0 EEAERP COC(=O)c1cnc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156136 1198063331 /nfs/dbraw/zinc/06/33/31/1198063331.db2.gz FFLVUXKKVZWQHY-RHSMWYFYSA-N 2 0 346.475 2.383 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000872228842 1198099289 /nfs/dbraw/zinc/09/92/89/1198099289.db2.gz LXGRRQCYFAZZNY-IUPXNIOVSA-N 2 0 343.512 2.115 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1N(Cc1cscn1)CC2 ZINC001410893359 1198548235 /nfs/dbraw/zinc/54/82/35/1198548235.db2.gz GWHMHZRVIJWLFX-WBVHZDCISA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001410949251 1198616579 /nfs/dbraw/zinc/61/65/79/1198616579.db2.gz WXGAPPBRAVKNCS-CXAGYDPISA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCCCO1)C(=O)C[NH+](C)C(C)C ZINC001411201933 1198904371 /nfs/dbraw/zinc/90/43/71/1198904371.db2.gz PXAYNVDUKCFQOE-QGZVFWFLSA-N 2 0 327.513 2.065 10 0 EEAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000810133182 1199290920 /nfs/dbraw/zinc/29/09/20/1199290920.db2.gz CWETTWNDIVMZGY-VKJFTORMSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CC1(C)C ZINC000875674140 1199341150 /nfs/dbraw/zinc/34/11/50/1199341150.db2.gz DUSLIQRDUCJHNY-QBPKDAKJSA-N 2 0 338.540 2.192 10 0 EEAERP CC(C)c1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000870020197 1200410727 /nfs/dbraw/zinc/41/07/27/1200410727.db2.gz HHNOYUKOMGRGNN-ZIAGYGMSSA-N 2 0 338.521 2.078 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023557 1200413437 /nfs/dbraw/zinc/41/34/37/1200413437.db2.gz CTVJVISUTKPTCX-GUDVDZBRSA-N 2 0 331.504 2.378 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)[NH+]2CCCC2)o1 ZINC000870877563 1200926493 /nfs/dbraw/zinc/92/64/93/1200926493.db2.gz CJPYJRDFWATVPD-KOHRHEQBSA-N 2 0 331.460 2.373 10 0 EEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC000880021724 1201351490 /nfs/dbraw/zinc/35/14/90/1201351490.db2.gz GQGCDHBUYPUZDT-SBHAEUEKSA-N 2 0 341.499 2.357 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000866711266 1201586818 /nfs/dbraw/zinc/58/68/18/1201586818.db2.gz GNYPRAURCWITHP-OWLYRPNTSA-N 2 0 345.418 2.070 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000868234258 1201772350 /nfs/dbraw/zinc/77/23/50/1201772350.db2.gz ZSIXBOHEZDGKTE-BHIYHBOVSA-N 2 0 344.503 2.243 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC[C@H](C4CC4)O3)CC2)CC1 ZINC000886252262 1202484633 /nfs/dbraw/zinc/48/46/33/1202484633.db2.gz YPBOHOQKLUMFSM-VQTJNVASSA-N 2 0 335.536 2.436 10 0 EEAERP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+]CCCF ZINC001274208555 1204462176 /nfs/dbraw/zinc/46/21/76/1204462176.db2.gz OIDXXULORZRBHA-GXTWGEPZSA-N 2 0 327.469 2.219 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001274508243 1205062796 /nfs/dbraw/zinc/06/27/96/1205062796.db2.gz HIYDXFRWAWCCOC-ONEGZZNKSA-N 2 0 327.472 2.107 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001274578676 1205085855 /nfs/dbraw/zinc/08/58/55/1205085855.db2.gz MBJVQZXSXNJBRM-GFXSFYIYSA-N 2 0 327.472 2.278 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001274578391 1205086321 /nfs/dbraw/zinc/08/63/21/1205086321.db2.gz HYRYDBGRPDJRDW-QAYNCDDLSA-N 2 0 349.425 2.166 10 0 EEAERP COCCCC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001275150748 1205268699 /nfs/dbraw/zinc/26/86/99/1205268699.db2.gz MQGPQSQRUJCGFB-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CC[NH+]1CCCCC1 ZINC001275458709 1205370154 /nfs/dbraw/zinc/37/01/54/1205370154.db2.gz FJWSHTJCWWQQOC-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001275976854 1205614050 /nfs/dbraw/zinc/61/40/50/1205614050.db2.gz JQYWQTUKLLLMLS-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)s1 ZINC001276258666 1205859115 /nfs/dbraw/zinc/85/91/15/1205859115.db2.gz MZNSMBBWRMRPAV-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490827175 1205912730 /nfs/dbraw/zinc/91/27/30/1205912730.db2.gz YQZVUXTTXKXCKL-KRWDZBQOSA-N 2 0 345.487 2.049 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cn2)CC1 ZINC000924626571 1206006586 /nfs/dbraw/zinc/00/65/86/1206006586.db2.gz KTAISWFPCLCRSJ-QUCCMNQESA-N 2 0 344.503 2.128 10 0 EEAERP O[C@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000924757990 1206028339 /nfs/dbraw/zinc/02/83/39/1206028339.db2.gz RWOMTLVEFIZMMH-NHCUHLMSSA-N 2 0 339.483 2.282 10 0 EEAERP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000924807393 1206034722 /nfs/dbraw/zinc/03/47/22/1206034722.db2.gz LPAVXZYJNXDXLY-IEBWSBKVSA-N 2 0 334.508 2.253 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925706109 1206144840 /nfs/dbraw/zinc/14/48/40/1206144840.db2.gz LFNHNHBZWCGFRE-RTBURBONSA-N 3 0 344.547 2.476 10 0 EEAERP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925856101 1206161684 /nfs/dbraw/zinc/16/16/84/1206161684.db2.gz PLBJBBSFKRMGGT-ZFWWWQNUSA-N 2 0 348.443 2.040 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1nc2c(s1)CCCC2 ZINC000925859120 1206162024 /nfs/dbraw/zinc/16/20/24/1206162024.db2.gz VVVQETKTPBDSPB-OLZOCXBDSA-N 2 0 349.500 2.358 10 0 EEAERP CCCN(C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC[N@H+](C)C1 ZINC000925915419 1206167798 /nfs/dbraw/zinc/16/77/98/1206167798.db2.gz LYASJXJBOVFCQU-QZTJIDSGSA-N 2 0 347.507 2.200 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1cccnc1 ZINC000925917919 1206168086 /nfs/dbraw/zinc/16/80/86/1206168086.db2.gz ZERNYIMMEIIYKS-KRWDZBQOSA-N 2 0 347.507 2.248 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)Nc1cccc(C[NH3+])c1)c1cccnc1 ZINC000926147484 1206198709 /nfs/dbraw/zinc/19/87/09/1206198709.db2.gz MGZFNVSBNSCRRK-KRWDZBQOSA-N 2 0 327.432 2.355 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000926159321 1206199829 /nfs/dbraw/zinc/19/98/29/1206199829.db2.gz RSCBPZNUOHSBCT-QGZVFWFLSA-N 2 0 327.432 2.355 10 0 EEAERP O[C@H](CCC1(O)CCC1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000930278585 1206545976 /nfs/dbraw/zinc/54/59/76/1206545976.db2.gz LLQGZWUHHAWNHF-HSALFYBXSA-N 2 0 344.499 2.106 10 0 EEAERP C[N@H+](C[C@H](O)CC[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461139 1206559964 /nfs/dbraw/zinc/55/99/64/1206559964.db2.gz UVDZHLPRDDHSFL-MJIXASBWSA-N 2 0 332.488 2.418 10 0 EEAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4C[C@H]5COC[C@@H]5O4)C3)C2)cc1 ZINC000930462701 1206560082 /nfs/dbraw/zinc/56/00/82/1206560082.db2.gz ZLGIGXZNZIGUDP-TUFLPTIASA-N 2 0 342.483 2.388 10 0 EEAERP C[C@H](O)[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931083294 1206605560 /nfs/dbraw/zinc/60/55/60/1206605560.db2.gz JPFKNWCSXFFHMF-DBVUQKKJSA-N 2 0 346.515 2.351 10 0 EEAERP CC(C)N1CCO[C@H](C(=[NH2+])NOCc2cc(-c3ccco3)on2)C1 ZINC000779644888 1210692525 /nfs/dbraw/zinc/69/25/25/1210692525.db2.gz DETOHPRDWCRDDU-HNNXBMFYSA-N 2 0 334.376 2.042 10 0 EEAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000717993950 1211685120 /nfs/dbraw/zinc/68/51/20/1211685120.db2.gz INIJVIOSCVEGNJ-PKOBYXMFSA-N 2 0 332.488 2.418 10 0 EEAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001413339917 1235640859 /nfs/dbraw/zinc/64/08/59/1235640859.db2.gz GJDUWEYVCSROLB-RBUKOAKNSA-N 2 0 347.478 2.433 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000903444091 1240488901 /nfs/dbraw/zinc/48/89/01/1240488901.db2.gz PIYGDBKYGRXYLD-QGTPRVQTSA-N 2 0 337.895 2.118 10 0 EEAERP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)c1)OCCO2 ZINC000903725777 1241730824 /nfs/dbraw/zinc/73/08/24/1241730824.db2.gz HGCIRUXWJTVWRK-KNBMTAEXSA-N 2 0 344.455 2.363 10 0 EEAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903757031 1241850675 /nfs/dbraw/zinc/85/06/75/1241850675.db2.gz AQGCBKKXYMLMKI-FQEVSTJZSA-N 2 0 342.483 2.449 10 0 EEAERP CCOc1ccccc1CC[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903923075 1242514429 /nfs/dbraw/zinc/51/44/29/1242514429.db2.gz KPUBUECWNPEFEY-MRXNPFEDSA-N 2 0 330.476 2.077 10 0 EEAERP CC[C@@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000903923484 1242517107 /nfs/dbraw/zinc/51/71/07/1242517107.db2.gz VIYDUXXTWHVCQF-AEFFLSMTSA-N 2 0 343.475 2.458 10 0 EEAERP Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972369 1242803700 /nfs/dbraw/zinc/80/37/00/1242803700.db2.gz HHWRLYOHXDKBLU-SJORKVTESA-N 2 0 345.487 2.460 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000826941391 1248170713 /nfs/dbraw/zinc/17/07/13/1248170713.db2.gz IZTDDANMBUDSLG-SFHVURJKSA-N 2 0 348.487 2.322 10 0 EEAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491034094 1258591538 /nfs/dbraw/zinc/59/15/38/1258591538.db2.gz GIZDLRKDHNPKPU-ZOSBBBERSA-N 2 0 339.443 2.474 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001491414612 1259057903 /nfs/dbraw/zinc/05/79/03/1259057903.db2.gz LRLWRXVFSZQFBH-WBVHZDCISA-N 2 0 333.476 2.162 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1sccc1Cl ZINC001491507196 1259157157 /nfs/dbraw/zinc/15/71/57/1259157157.db2.gz XKUORSZEDFLGTI-DGCLKSJQSA-N 2 0 329.897 2.480 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001671086617 1278409932 /nfs/dbraw/zinc/40/99/32/1278409932.db2.gz YPSWABXLEUNOPP-FQEVSTJZSA-N 2 0 344.503 2.238 10 0 EEAERP c1nn2ccccc2c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344418 1277188987 /nfs/dbraw/zinc/18/89/87/1277188987.db2.gz HYUQMGLCYYEFAI-UHFFFAOYSA-N 2 0 328.460 2.315 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273546411 1279626242 /nfs/dbraw/zinc/62/62/42/1279626242.db2.gz NWKZGVGQSCYUEQ-LJQANCHMSA-N 2 0 331.504 2.324 10 0 EEAERP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)C1 ZINC000900908331 1285614695 /nfs/dbraw/zinc/61/46/95/1285614695.db2.gz DNHMRIWGKIXFRZ-MRXNPFEDSA-N 2 0 343.471 2.442 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccnn1C ZINC001490348962 1291171471 /nfs/dbraw/zinc/17/14/71/1291171471.db2.gz LOQIELQLVOGWOK-GOSISDBHSA-N 2 0 349.523 2.011 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCCF)C1 ZINC001490549771 1291423550 /nfs/dbraw/zinc/42/35/50/1291423550.db2.gz GLTRTZZONLAPAA-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]Cc1cncc(F)c1)C1CC1 ZINC001490675592 1291558821 /nfs/dbraw/zinc/55/88/21/1291558821.db2.gz YBPYIOMBHOGZRZ-MSOLQXFVSA-N 2 0 348.466 2.080 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001490762651 1291694506 /nfs/dbraw/zinc/69/45/06/1291694506.db2.gz KUMNMVPRFFAYLQ-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cn1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c(Cl)n1 ZINC000856769751 1293626580 /nfs/dbraw/zinc/62/65/80/1293626580.db2.gz ZUGSJKLERVQGHB-UHFFFAOYSA-N 2 0 336.867 2.346 10 0 EEAERP CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000862488013 1295857897 /nfs/dbraw/zinc/85/78/97/1295857897.db2.gz ZLPPMTIFGTVGAI-KRWDZBQOSA-N 2 0 332.444 2.369 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cscn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001277316380 1302330752 /nfs/dbraw/zinc/33/07/52/1302330752.db2.gz YCAWXSLUDHCVIH-AWEZNQCLSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001277356475 1302618914 /nfs/dbraw/zinc/61/89/14/1302618914.db2.gz TYQQZLBYBSKIOE-HOTGVXAUSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCC2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001278314908 1309346440 /nfs/dbraw/zinc/34/64/40/1309346440.db2.gz GVCNHWPOOGYMRM-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP FC(F)(F)[C@@H](C[NH2+]Cc1cncc2ccccc21)N1CC[NH2+]CC1 ZINC000841069886 1315467440 /nfs/dbraw/zinc/46/74/40/1315467440.db2.gz FQAIMIJTPPZIAL-MRXNPFEDSA-N 2 0 338.377 2.161 10 0 EEAERP C1C[C@H]2SCCS[C@H]2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088229 1315472035 /nfs/dbraw/zinc/47/20/35/1315472035.db2.gz ZGLRJNOOSMZZAP-YWWDTZIBSA-N 2 0 341.590 2.172 10 0 EEAERP C[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278519564 1317126721 /nfs/dbraw/zinc/12/67/21/1317126721.db2.gz SKAPQQSCNLHIAQ-HKUYNNGSSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001278522212 1317135306 /nfs/dbraw/zinc/13/53/06/1317135306.db2.gz VDYOIAIHBKQSCX-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038056 1319058922 /nfs/dbraw/zinc/05/89/22/1319058922.db2.gz DNBJVNISDWJLFG-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CC[NH2+]CCCF ZINC001263956999 1322569506 /nfs/dbraw/zinc/56/95/06/1322569506.db2.gz YVCOUXNFAUUVHZ-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cncs1 ZINC001265880542 1323451159 /nfs/dbraw/zinc/45/11/59/1323451159.db2.gz LOBNTOHZBWQMNP-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC[C@@H](C)F)C2)CC1 ZINC001266027094 1323578196 /nfs/dbraw/zinc/57/81/96/1323578196.db2.gz YNMVPGJBEIUIJZ-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001266029193 1323580488 /nfs/dbraw/zinc/58/04/88/1323580488.db2.gz MDUBGTSWVJVYQI-ZLHKHBAESA-N 2 0 339.483 2.234 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(C)ccc1F ZINC001266109515 1323677575 /nfs/dbraw/zinc/67/75/75/1323677575.db2.gz ZMHGHFWYLJVRHH-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001266156202 1323725254 /nfs/dbraw/zinc/72/52/54/1323725254.db2.gz WRIXPGSZOVQZIM-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001266241637 1323830457 /nfs/dbraw/zinc/83/04/57/1323830457.db2.gz RLQKIGKLTVBUHH-AWEZNQCLSA-N 2 0 347.425 2.395 10 0 EEAERP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001279395417 1323896329 /nfs/dbraw/zinc/89/63/29/1323896329.db2.gz IXZYYOYHNMKZDW-QCUQMOABSA-N 2 0 333.520 2.465 10 0 EEAERP COCCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001280353912 1324168642 /nfs/dbraw/zinc/16/86/42/1324168642.db2.gz DOZPDGWJEGPICH-INIZCTEOSA-N 2 0 347.503 2.332 10 0 EEAERP CC[C@@H](C(=O)NC1(CO)CC[NH+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001281817788 1325472276 /nfs/dbraw/zinc/47/22/76/1325472276.db2.gz VKWZBVRCTJMQGD-KRWDZBQOSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283545534 1326124064 /nfs/dbraw/zinc/12/40/64/1326124064.db2.gz XPSTXYCXESTUIF-DOTOQJQBSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284034765 1326373278 /nfs/dbraw/zinc/37/32/78/1326373278.db2.gz VOWSZLZOGDFZHL-CRAIPNDOSA-N 2 0 348.491 2.328 10 0 EEAERP CCOCC[N@@H+]1CC[C@@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@@H]12 ZINC001284059272 1326386966 /nfs/dbraw/zinc/38/69/66/1326386966.db2.gz VWZDPTFSKFYNPW-MJGOQNOKSA-N 2 0 342.443 2.326 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCF)cc1F ZINC001285005193 1326823586 /nfs/dbraw/zinc/82/35/86/1326823586.db2.gz SYXBMOVIHJKXMR-KRWDZBQOSA-N 2 0 339.430 2.375 10 0 EEAERP COc1ccc(Cl)c(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001491674407 1330221730 /nfs/dbraw/zinc/22/17/30/1330221730.db2.gz OADUYLDESAWSAO-CYBMUJFWSA-N 2 0 339.867 2.039 10 0 EEAERP COc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)ccc1C ZINC001491765685 1330247386 /nfs/dbraw/zinc/24/73/86/1330247386.db2.gz QSKPADPAJNHIAX-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)ccc2F)C1 ZINC001491846701 1330272610 /nfs/dbraw/zinc/27/26/10/1330272610.db2.gz XYVFYACNVXQXST-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001491850670 1330273894 /nfs/dbraw/zinc/27/38/94/1330273894.db2.gz WKAOVXSAFHBADV-GOSISDBHSA-N 2 0 346.519 2.033 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001491893608 1330293029 /nfs/dbraw/zinc/29/30/29/1330293029.db2.gz FYUJQLPOVMXLIH-SJORKVTESA-N 2 0 336.455 2.080 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001492031664 1330456812 /nfs/dbraw/zinc/45/68/12/1330456812.db2.gz QXZDFQQDHMMMHS-DYVFJYSZSA-N 2 0 336.480 2.150 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001317531987 1331786029 /nfs/dbraw/zinc/78/60/29/1331786029.db2.gz GPVORMIEZSJWOI-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001316728264 1331864350 /nfs/dbraw/zinc/86/43/50/1331864350.db2.gz VVYSRCOFFPVTQK-KBPBESRZSA-N 2 0 337.430 2.355 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)Cc1ncccc1C ZINC001316893868 1331960076 /nfs/dbraw/zinc/96/00/76/1331960076.db2.gz NBFGZTGFUXUGEU-HZPDHXFCSA-N 2 0 341.459 2.245 10 0 EEAERP CC[C@H](F)C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001316922127 1331988723 /nfs/dbraw/zinc/98/87/23/1331988723.db2.gz OJWJEXLHXKOOCY-HNNXBMFYSA-N 2 0 325.472 2.334 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC[C@H]1CCCO1)C1CC1 ZINC001316922856 1331989201 /nfs/dbraw/zinc/98/92/01/1331989201.db2.gz XODFPOBQZXIFCG-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317115960 1332085484 /nfs/dbraw/zinc/08/54/84/1332085484.db2.gz FOHBZUQXAANEIS-JZXOWHBKSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001317149339 1332100495 /nfs/dbraw/zinc/10/04/95/1332100495.db2.gz IKVYFPUQKLOEEQ-BJYXUANLSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCOc1ccccc1 ZINC001317241371 1332148830 /nfs/dbraw/zinc/14/88/30/1332148830.db2.gz LYZWWTPKXQFSBC-KRWDZBQOSA-N 2 0 347.503 2.424 10 0 EEAERP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317382941 1332208284 /nfs/dbraw/zinc/20/82/84/1332208284.db2.gz XWCZLMPQQGQPEH-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]C[C@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC001317589619 1332311713 /nfs/dbraw/zinc/31/17/13/1332311713.db2.gz RDZBNBUGWVQRTP-FUHIMQAGSA-N 2 0 343.515 2.180 10 0 EEAERP Cc1ccc(C[N@@H+](CCCNC(=O)[C@H]2CN(C)CCO2)C(C)C)cc1 ZINC001317684079 1332371231 /nfs/dbraw/zinc/37/12/31/1332371231.db2.gz QFNHWXQSLPEQPE-LJQANCHMSA-N 2 0 347.503 2.042 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC001317955105 1332450951 /nfs/dbraw/zinc/45/09/51/1332450951.db2.gz DSDATHBTKKADDJ-GOSISDBHSA-N 2 0 345.487 2.132 10 0 EEAERP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCCOC)C1 ZINC001318484492 1332550029 /nfs/dbraw/zinc/55/00/29/1332550029.db2.gz YMPGIDTVWZWCGG-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2conc2C)C1)[NH+](C)C ZINC001318852593 1332611672 /nfs/dbraw/zinc/61/16/72/1332611672.db2.gz WYGLFTDVFIBALD-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCF)cc1 ZINC001318996835 1332634884 /nfs/dbraw/zinc/63/48/84/1332634884.db2.gz WKKHYJZJKNSRDV-SFHVURJKSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccc(F)cc2o1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320371157 1332869717 /nfs/dbraw/zinc/86/97/17/1332869717.db2.gz JMCNHTBEGHZLJN-WFASDCNBSA-N 2 0 348.422 2.046 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(-c2ccco2)on1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320517270 1332901495 /nfs/dbraw/zinc/90/14/95/1332901495.db2.gz LKNKTJOERWKTJL-DZGCQCFKSA-N 2 0 346.431 2.013 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001320609235 1332920278 /nfs/dbraw/zinc/92/02/78/1332920278.db2.gz RMTDMCBIOYALQA-NVXWUHKLSA-N 2 0 332.492 2.025 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(C(C)C)n1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320841398 1332963284 /nfs/dbraw/zinc/96/32/84/1332963284.db2.gz VNFDUHLGSRGWRQ-QGZVFWFLSA-N 2 0 346.519 2.485 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001321065139 1333009324 /nfs/dbraw/zinc/00/93/24/1333009324.db2.gz QUMRAXCSDAVEJJ-RPRSEOTPSA-N 2 0 327.472 2.276 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cccc(C(F)F)c1)C12CC[NH+](CC1)C2 ZINC001321337664 1333078171 /nfs/dbraw/zinc/07/81/71/1333078171.db2.gz QIMILEDLNZJJEJ-OWOJBTEDSA-N 2 0 349.425 2.482 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001321340070 1333079309 /nfs/dbraw/zinc/07/93/09/1333079309.db2.gz XPORBYPOWRNDIE-ARJAWSKDSA-N 2 0 327.472 2.161 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001321417276 1333099300 /nfs/dbraw/zinc/09/93/00/1333099300.db2.gz QCIORDDXNYXBRG-ONEGZZNKSA-N 2 0 336.505 2.090 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321563350 1333124481 /nfs/dbraw/zinc/12/44/81/1333124481.db2.gz KYEWYFGREVZLQJ-PBHICJAKSA-N 2 0 337.895 2.461 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001322542499 1333279189 /nfs/dbraw/zinc/27/91/89/1333279189.db2.gz CTQSGISCKWUSAJ-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001322651029 1333300630 /nfs/dbraw/zinc/30/06/30/1333300630.db2.gz ILUUGMTVOSXVFG-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001322793882 1333327540 /nfs/dbraw/zinc/32/75/40/1333327540.db2.gz XPTGJLCONAZPTL-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001323142640 1333395561 /nfs/dbraw/zinc/39/55/61/1333395561.db2.gz JJEJPPIHGSPKPQ-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCCC(F)(F)F)CC2)C1 ZINC001323540462 1333485135 /nfs/dbraw/zinc/48/51/35/1333485135.db2.gz DFBAIUSQCYGUPP-ZDUSSCGKSA-N 2 0 335.414 2.299 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001324092083 1333607424 /nfs/dbraw/zinc/60/74/24/1333607424.db2.gz XZWFPUBHKQUDOG-YOEHRIQHSA-N 2 0 336.480 2.184 10 0 EEAERP CCOCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001324555876 1333707887 /nfs/dbraw/zinc/70/78/87/1333707887.db2.gz CBRCOXWTIVSGRP-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325325885 1333863862 /nfs/dbraw/zinc/86/38/62/1333863862.db2.gz WWHMUKRBWDMFAP-SJORKVTESA-N 2 0 336.455 2.258 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001326300040 1334062263 /nfs/dbraw/zinc/06/22/63/1334062263.db2.gz DRSJGOOVVYYLSC-AWEZNQCLSA-N 2 0 347.425 2.395 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001326351130 1334074446 /nfs/dbraw/zinc/07/44/46/1334074446.db2.gz FSZOAJJPINBBRC-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001326409031 1334086822 /nfs/dbraw/zinc/08/68/22/1334086822.db2.gz PZBRBIRBDYKXTM-IAGOWNOFSA-N 2 0 330.476 2.203 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001326990774 1334198538 /nfs/dbraw/zinc/19/85/38/1334198538.db2.gz OFCHVWANYUZFRY-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327308886 1334264185 /nfs/dbraw/zinc/26/41/85/1334264185.db2.gz RKFBTVCUMSQFFR-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001330549510 1334868973 /nfs/dbraw/zinc/86/89/73/1334868973.db2.gz DUIFSFAQDPADLE-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001331471556 1335019322 /nfs/dbraw/zinc/01/93/22/1335019322.db2.gz DLLYZIJCSVJVMC-NVXWUHKLSA-N 2 0 345.491 2.009 10 0 EEAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001332470303 1335831013 /nfs/dbraw/zinc/83/10/13/1335831013.db2.gz JBIZVSZMVYMIBI-KGLIPLIRSA-N 2 0 337.430 2.353 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](C/C=C/c2ccccc2)CC1 ZINC001333392317 1336030549 /nfs/dbraw/zinc/03/05/49/1336030549.db2.gz VCHSHVKOXKWXAL-RMKNXTFCSA-N 2 0 327.472 2.400 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001479909922 1337554980 /nfs/dbraw/zinc/55/49/80/1337554980.db2.gz YJCKPDNLILIEKV-FUHWJXTLSA-N 2 0 333.451 2.345 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(F)c1F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668555904 1355962572 /nfs/dbraw/zinc/96/25/72/1355962572.db2.gz YSJOFYOVKKXXIJ-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP COCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001500265192 1342122210 /nfs/dbraw/zinc/12/22/10/1342122210.db2.gz PTQWPIOYDVXOGK-MJGOQNOKSA-N 2 0 339.524 2.258 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001560055975 1342506900 /nfs/dbraw/zinc/50/69/00/1342506900.db2.gz TXKFJQNDKGOCBB-GNLKBHMISA-N 2 0 344.455 2.135 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001566736729 1342617530 /nfs/dbraw/zinc/61/75/30/1342617530.db2.gz SHAXNCNMJPLSCI-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(Cl)n2)C1 ZINC001567198704 1342709841 /nfs/dbraw/zinc/70/98/41/1342709841.db2.gz MRRQSNYCTLRXHR-OAHLLOKOSA-N 2 0 338.883 2.110 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CCCCC(F)(F)F)CC1 ZINC001567580223 1342786648 /nfs/dbraw/zinc/78/66/48/1342786648.db2.gz QQIXAFUTATYBAD-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018447 1357089551 /nfs/dbraw/zinc/08/95/51/1357089551.db2.gz MQTLYTXDUVHUQW-IRXDYDNUSA-N 2 0 347.503 2.330 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[NH+]1CCCC1 ZINC001676018957 1357090742 /nfs/dbraw/zinc/09/07/42/1357090742.db2.gz XRUUFKOPLYXMIJ-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCc1ccccc1F ZINC001569847103 1342957445 /nfs/dbraw/zinc/95/74/45/1342957445.db2.gz MIUIIBGCHVBCGR-WMZOPIPTSA-N 2 0 349.494 2.394 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001569988297 1342989886 /nfs/dbraw/zinc/98/98/86/1342989886.db2.gz VKNJUPIARNLHFE-GDBMZVCRSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)CN1C(=O)CCCC[NH+](C)C ZINC001571490275 1343218515 /nfs/dbraw/zinc/21/85/15/1343218515.db2.gz BMEPNIUPOCLHPY-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001676228386 1357123740 /nfs/dbraw/zinc/12/37/40/1357123740.db2.gz PAJJFOVHMAKNHX-SFHVURJKSA-N 2 0 333.520 2.489 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@H]1C ZINC001676686560 1357180758 /nfs/dbraw/zinc/18/07/58/1357180758.db2.gz OIVHVGDNGOLWLF-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001676951498 1357247748 /nfs/dbraw/zinc/24/77/48/1357247748.db2.gz KDXRZZACSJESNM-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccnc(Cl)c1)C(C)(C)C ZINC001677282579 1357307192 /nfs/dbraw/zinc/30/71/92/1357307192.db2.gz WAJZXXHLCBIVNV-AWEZNQCLSA-N 2 0 340.899 2.307 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@H]2C1 ZINC001649360317 1353496893 /nfs/dbraw/zinc/49/68/93/1353496893.db2.gz NXJCFUTZRNEQNB-XIRDDKMYSA-N 2 0 326.444 2.361 10 0 EEAERP CCc1[nH]c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1C(=O)OC ZINC001650002793 1353683895 /nfs/dbraw/zinc/68/38/95/1353683895.db2.gz MNWLFNSTAKWJAY-MRXNPFEDSA-N 2 0 349.475 2.097 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)co1 ZINC001671250694 1353923897 /nfs/dbraw/zinc/92/38/97/1353923897.db2.gz FAGZCGUOOACVEC-GOEBONIOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[NH+](CC)CC[C@H](C)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001650613805 1354023700 /nfs/dbraw/zinc/02/37/00/1354023700.db2.gz RUDZTIYCQATIPZ-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OC(=O)C[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC001659198447 1354376451 /nfs/dbraw/zinc/37/64/51/1354376451.db2.gz WDMDPNNAJSIRFP-GOSISDBHSA-N 2 0 341.540 2.358 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@@H]1CCCC1(F)F ZINC001660400588 1354457878 /nfs/dbraw/zinc/45/78/78/1354457878.db2.gz YRAZLVFYLXWYJV-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCCOC)CC[C@H]21 ZINC001661554890 1354657313 /nfs/dbraw/zinc/65/73/13/1354657313.db2.gz HRLJZRFDUFSAMI-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001661798930 1354699708 /nfs/dbraw/zinc/69/97/08/1354699708.db2.gz UXAILDJERHPHHC-OAHLLOKOSA-N 2 0 345.422 2.069 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001661833274 1354706069 /nfs/dbraw/zinc/70/60/69/1354706069.db2.gz ZBLIPLKXFJCBFV-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001661842610 1354707675 /nfs/dbraw/zinc/70/76/75/1354707675.db2.gz QOPIFJQEZHJDSB-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662541999 1354805422 /nfs/dbraw/zinc/80/54/22/1354805422.db2.gz YOQDVWZXPGHUIP-PXNSSMCTSA-N 2 0 343.515 2.460 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)C1CCC1 ZINC001662641627 1354818047 /nfs/dbraw/zinc/81/80/47/1354818047.db2.gz SZYXUOVQUVLQPW-SFHVURJKSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685608 1354825688 /nfs/dbraw/zinc/82/56/88/1354825688.db2.gz MNBQUOFZLQJSIK-AEFFLSMTSA-N 2 0 349.544 2.461 10 0 EEAERP C[NH+]1CCC(CC(=O)NCc2ccc(CC[NH2+]CCF)cc2)CC1 ZINC001662814248 1354852505 /nfs/dbraw/zinc/85/25/05/1354852505.db2.gz PJISYPZFIFXTTC-UHFFFAOYSA-N 2 0 335.467 2.136 10 0 EEAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001663001212 1354886307 /nfs/dbraw/zinc/88/63/07/1354886307.db2.gz NULIJZSXWHUVEK-TZMCWYRMSA-N 2 0 326.872 2.060 10 0 EEAERP CN(CC[NH2+]CCCc1ccc(Cl)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001664313955 1355137305 /nfs/dbraw/zinc/13/73/05/1355137305.db2.gz QPGSMICIQUHAJO-UHFFFAOYSA-N 2 0 349.906 2.416 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001664391434 1355152978 /nfs/dbraw/zinc/15/29/78/1355152978.db2.gz MLEFZLLLNPHZRI-SFHVURJKSA-N 2 0 347.503 2.225 10 0 EEAERP COCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001664436795 1355163588 /nfs/dbraw/zinc/16/35/88/1355163588.db2.gz IHOUYSFGNZZQNE-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001665660183 1355350619 /nfs/dbraw/zinc/35/06/19/1355350619.db2.gz XMDIARYZLCZODJ-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001665727285 1355375213 /nfs/dbraw/zinc/37/52/13/1355375213.db2.gz ZJLWGAQNRRYYRV-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992240 1355628773 /nfs/dbraw/zinc/62/87/73/1355628773.db2.gz MFALVVLULNEOAY-RDTXWAMCSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001667239011 1355682961 /nfs/dbraw/zinc/68/29/61/1355682961.db2.gz RMJMYDLULSTBDD-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCF)CC1 ZINC001667296977 1355702064 /nfs/dbraw/zinc/70/20/64/1355702064.db2.gz XFUXYTAXLGBXFY-QGZVFWFLSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCF ZINC001667494168 1355750564 /nfs/dbraw/zinc/75/05/64/1355750564.db2.gz SSMMILWQWOZUHL-PBHICJAKSA-N 2 0 333.467 2.289 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001667735604 1355802454 /nfs/dbraw/zinc/80/24/54/1355802454.db2.gz YSWQNRNEXOSAPZ-UONOGXRCSA-N 2 0 347.425 2.442 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668059226 1355858585 /nfs/dbraw/zinc/85/85/85/1355858585.db2.gz CEHKSKYTOQRCMQ-HOTGVXAUSA-N 2 0 348.491 2.314 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088214 1355867086 /nfs/dbraw/zinc/86/70/86/1355867086.db2.gz WAQAFAPEAATKOM-VQIMIIECSA-N 2 0 344.503 2.473 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CC[NH+]1CCCCC1 ZINC001668320329 1355922654 /nfs/dbraw/zinc/92/26/54/1355922654.db2.gz PGEIFEXTWLVJQD-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001668864840 1356026898 /nfs/dbraw/zinc/02/68/98/1356026898.db2.gz KXCRZMBJSSPRNN-AATRIKPKSA-N 2 0 329.488 2.495 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001668888462 1356037331 /nfs/dbraw/zinc/03/73/31/1356037331.db2.gz YHNAECNWHXVEGP-OGZRUICASA-N 2 0 336.505 2.006 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCc1cccc(F)c1)C12CC[NH+](CC1)C2 ZINC001669139578 1356104556 /nfs/dbraw/zinc/10/45/56/1356104556.db2.gz PGDWPGZICWFIRY-OWOJBTEDSA-N 2 0 345.462 2.116 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001669207894 1356126161 /nfs/dbraw/zinc/12/61/61/1356126161.db2.gz PZUWAKQKDUZOSM-XFHJGTJQSA-N 2 0 348.491 2.256 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001669482437 1356165356 /nfs/dbraw/zinc/16/53/56/1356165356.db2.gz MAOJZFGSOUVBLH-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001670091493 1356273950 /nfs/dbraw/zinc/27/39/50/1356273950.db2.gz ZCRSLEUISXIBGC-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccn1)C2 ZINC001672166998 1356472683 /nfs/dbraw/zinc/47/26/83/1356472683.db2.gz XYRISUGIHIALMZ-UHOSZYNNSA-N 2 0 344.503 2.283 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001672911553 1356613593 /nfs/dbraw/zinc/61/35/93/1356613593.db2.gz WHGREKFGVHQJOM-XKVCFHCCSA-N 2 0 341.499 2.480 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H](C)C1 ZINC001673922730 1356760224 /nfs/dbraw/zinc/76/02/24/1356760224.db2.gz CCUHGUXXTVZCGB-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP COCCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001674686541 1356876106 /nfs/dbraw/zinc/87/61/06/1356876106.db2.gz GGMYJUANJPIWFX-KGLIPLIRSA-N 2 0 332.448 2.166 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCCC1 ZINC001675201983 1356944846 /nfs/dbraw/zinc/94/48/46/1356944846.db2.gz STJJZUDXBKBUEX-QGZVFWFLSA-N 2 0 339.524 2.306 10 0 EEAERP CCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001675426536 1356979207 /nfs/dbraw/zinc/97/92/07/1356979207.db2.gz STSNFZAJZCVYGD-LJQANCHMSA-N 2 0 339.524 2.212 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001675901789 1357065722 /nfs/dbraw/zinc/06/57/22/1357065722.db2.gz AKSYNWNDHYUHNX-XJKCOSOUSA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001692125642 1404988081 /nfs/dbraw/zinc/98/80/81/1404988081.db2.gz YASWUEVBWJYNMF-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698789377 1405061340 /nfs/dbraw/zinc/06/13/40/1405061340.db2.gz HVHFAWSVJKOUOL-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001698858184 1405114313 /nfs/dbraw/zinc/11/43/13/1405114313.db2.gz CFTHMIAYVFNJCA-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCCCF ZINC001698898236 1405138289 /nfs/dbraw/zinc/13/82/89/1405138289.db2.gz MTLQQVYDXZZAKP-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699108205 1405264675 /nfs/dbraw/zinc/26/46/75/1405264675.db2.gz YZSMNPNNSDGKTN-AWEZNQCLSA-N 2 0 344.459 2.297 10 0 EEAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001699444100 1405358174 /nfs/dbraw/zinc/35/81/74/1405358174.db2.gz WXFWYWKDOCMSGS-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001699766728 1405475229 /nfs/dbraw/zinc/47/52/29/1405475229.db2.gz IVZPOJDYJYLXHP-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCCCC1 ZINC000919655203 770155812 /nfs/dbraw/zinc/15/58/12/770155812.db2.gz UEPJMMFQGGQNPL-PKOBYXMFSA-N 2 0 346.519 2.333 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674227 790367416 /nfs/dbraw/zinc/36/74/16/790367416.db2.gz KTUQPCDUAYXNBK-OALUTQOASA-N 2 0 342.487 2.298 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC[NH+]2CCCCC2)cc(Cl)n1 ZINC000846701255 790441693 /nfs/dbraw/zinc/44/16/93/790441693.db2.gz SXUFDHLNHBQNMS-HNNXBMFYSA-N 2 0 338.883 2.378 10 0 EEAERP CCn1ncc(C[NH+]2CCC3(C[N@@H+](C4CCC4)C[C@H]3CO)CC2)c1C ZINC000169789600 790569845 /nfs/dbraw/zinc/56/98/45/790569845.db2.gz FEMBMTUYBGSFHP-SFHVURJKSA-N 2 0 346.519 2.270 10 0 EEAERP c1ccc(CCCO[C@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923315167 789354980 /nfs/dbraw/zinc/35/49/80/789354980.db2.gz QSMKCGQPIBBDIR-RBUKOAKNSA-N 2 0 330.472 2.089 10 0 EEAERP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425650 789528076 /nfs/dbraw/zinc/52/80/76/789528076.db2.gz KHNOOZNCQQGSLO-ZFWWWQNUSA-N 2 0 332.444 2.001 10 0 EEAERP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1C ZINC000923450833 789581496 /nfs/dbraw/zinc/58/14/96/789581496.db2.gz JIHHJKQZFWCUNL-SJORKVTESA-N 2 0 345.487 2.460 10 0 EEAERP C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC[C@H]1C[NH3+] ZINC000923498573 789680002 /nfs/dbraw/zinc/68/00/02/789680002.db2.gz PCWFRXGXRRGLJG-NEPJUHHUSA-N 2 0 326.400 2.498 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923502042 789687601 /nfs/dbraw/zinc/68/76/01/789687601.db2.gz WMKJJLIMNOXOAT-HHXXYDBFSA-N 2 0 329.488 2.439 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914076086 794834269 /nfs/dbraw/zinc/83/42/69/794834269.db2.gz PPBRZQFDWSQTKI-AEFFLSMTSA-N 2 0 347.507 2.106 10 0 EEAERP [NH3+]C1CC(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000714995868 795184982 /nfs/dbraw/zinc/18/49/82/795184982.db2.gz OXEUMUONMLUGFP-RGVPCPSESA-N 2 0 327.472 2.237 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921842818 797090068 /nfs/dbraw/zinc/09/00/68/797090068.db2.gz NDSAYCBBEWFQEC-UHFFFAOYSA-N 2 0 326.872 2.265 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Br)cc1F ZINC000817902311 801022319 /nfs/dbraw/zinc/02/23/19/801022319.db2.gz NCXYLDMCABEWOY-CYBMUJFWSA-N 2 0 333.245 2.474 10 0 EEAERP C[NH+](C)CC[C@H](NCc1ccnn1-c1cc[nH+]cc1)c1cccnc1 ZINC000922630748 801548487 /nfs/dbraw/zinc/54/84/87/801548487.db2.gz BCQBBKMZPWGWHE-IBGZPJMESA-N 2 0 336.443 2.445 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000787291114 807069728 /nfs/dbraw/zinc/06/97/28/807069728.db2.gz IOXAZCYPJGQFBP-KRWDZBQOSA-N 2 0 327.476 2.160 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001566123309 1125570377 /nfs/dbraw/zinc/57/03/77/1125570377.db2.gz JLBZMEMKBHQWRK-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc2c(c1)CCC2 ZINC001566509053 1125678973 /nfs/dbraw/zinc/67/89/73/1125678973.db2.gz ZOSWZVHBRMXUIW-UHFFFAOYSA-N 2 0 341.499 2.209 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(Cl)cc1F ZINC001566516145 1125688065 /nfs/dbraw/zinc/68/80/65/1125688065.db2.gz AMPOUUVRRDZGGC-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCc1ccccc1 ZINC001566550053 1125722146 /nfs/dbraw/zinc/72/21/46/1125722146.db2.gz BTPPIWCQNNUKGB-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001566574982 1125756023 /nfs/dbraw/zinc/75/60/23/1125756023.db2.gz PRBZMOWOHDTDEZ-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN(C)Cc1cscn1 ZINC001436494510 1088001181 /nfs/dbraw/zinc/00/11/81/1088001181.db2.gz KBDWBEKAHWMSMW-INIZCTEOSA-N 2 0 338.521 2.298 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCc2ccccc2)C2CC2)C1 ZINC001436814375 1088406315 /nfs/dbraw/zinc/40/63/15/1088406315.db2.gz ZBUSTCAFQOTJHM-VQIMIIECSA-N 2 0 329.488 2.055 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC001436908839 1088566617 /nfs/dbraw/zinc/56/66/17/1088566617.db2.gz HGYHNFWAKDFDFK-JOCQHMNTSA-N 2 0 327.831 2.168 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437182218 1089217718 /nfs/dbraw/zinc/21/77/18/1089217718.db2.gz AMXAPYDHMSVBGL-WBMJQRKESA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001437233757 1089329323 /nfs/dbraw/zinc/32/93/23/1089329323.db2.gz GGFAQKZNDWQAJY-PXAZEXFGSA-N 2 0 349.425 2.142 10 0 EEAERP CC(C)Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001437260903 1089403109 /nfs/dbraw/zinc/40/31/09/1089403109.db2.gz MDRWOCBWUBOOPL-VQIMIIECSA-N 2 0 331.504 2.431 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437261830 1089405193 /nfs/dbraw/zinc/40/51/93/1089405193.db2.gz DUKFZBPXPHGZOF-CZUORRHYSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321032 1089482437 /nfs/dbraw/zinc/48/24/37/1089482437.db2.gz IKFGEAXCQRARIX-SJORKVTESA-N 2 0 348.491 2.376 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001437354481 1089575782 /nfs/dbraw/zinc/57/57/82/1089575782.db2.gz UBWNHAIUJBQICT-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001437374560 1089616051 /nfs/dbraw/zinc/61/60/51/1089616051.db2.gz SQPXEPYFRDXSHW-ZBFHGGJFSA-N 2 0 348.491 2.409 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001437716377 1090265859 /nfs/dbraw/zinc/26/58/59/1090265859.db2.gz ZNCRKRRNQYOCFZ-DZGCQCFKSA-N 2 0 349.441 2.150 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001438050182 1090619804 /nfs/dbraw/zinc/61/98/04/1090619804.db2.gz OPWVUEKOLXIQCR-QGZVFWFLSA-N 2 0 339.499 2.437 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1nccs1 ZINC001438326260 1090800285 /nfs/dbraw/zinc/80/02/85/1090800285.db2.gz LLIASHZDHCOUHH-HUUCEWRRSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001438372465 1090851697 /nfs/dbraw/zinc/85/16/97/1090851697.db2.gz GODOVYURRATQGK-QAPCUYQASA-N 2 0 335.467 2.460 10 0 EEAERP C[C@](C[NH2+]Cc1cccc(F)c1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438428898 1090927131 /nfs/dbraw/zinc/92/71/31/1090927131.db2.gz OINUFTCSDZGSKG-LJQANCHMSA-N 2 0 333.451 2.296 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC001438513451 1091006326 /nfs/dbraw/zinc/00/63/26/1091006326.db2.gz GSNNABYAVAPTKF-QEJZJMRPSA-N 2 0 338.521 2.024 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001438670069 1091159752 /nfs/dbraw/zinc/15/97/52/1091159752.db2.gz QVTILZOCXHUYRO-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](C[NH2+]Cc1ccn(C2CCCC2)n1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438719830 1091245098 /nfs/dbraw/zinc/24/50/98/1091245098.db2.gz HYQVIQXUJBWCOD-MRXNPFEDSA-N 2 0 347.507 2.031 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438727344 1091261691 /nfs/dbraw/zinc/26/16/91/1091261691.db2.gz FRAMTZXKIXXZFX-NZSAHSFTSA-N 2 0 346.519 2.351 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001438760930 1091328964 /nfs/dbraw/zinc/32/89/64/1091328964.db2.gz AXGOROLWRCXGFB-WMZOPIPTSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001438763883 1091337395 /nfs/dbraw/zinc/33/73/95/1091337395.db2.gz FKYMSKVKDSZDPH-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438777933 1091372805 /nfs/dbraw/zinc/37/28/05/1091372805.db2.gz YTMRIWFEBPFDTE-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP COCc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001438780298 1091378478 /nfs/dbraw/zinc/37/84/78/1091378478.db2.gz XBHXSQWHBHLYQF-APWZRJJASA-N 2 0 347.503 2.111 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ocnc1C)c1ccccc1 ZINC001445642417 1091430329 /nfs/dbraw/zinc/43/03/29/1091430329.db2.gz HMJYLFVHGJNOJB-KSSFIOAISA-N 2 0 344.459 2.270 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1Cl ZINC001445656646 1091443909 /nfs/dbraw/zinc/44/39/09/1091443909.db2.gz LXSYVMIZKIZUEI-LBPRGKRZSA-N 2 0 329.847 2.414 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438832998 1091454490 /nfs/dbraw/zinc/45/44/90/1091454490.db2.gz FKNAGKRVVGKZID-AEFFLSMTSA-N 2 0 349.523 2.036 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001438845302 1091482675 /nfs/dbraw/zinc/48/26/75/1091482675.db2.gz GHTXUGCTOUKYCQ-OALUTQOASA-N 2 0 346.519 2.432 10 0 EEAERP C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438868105 1091506023 /nfs/dbraw/zinc/50/60/23/1091506023.db2.gz YPMVRRNBQUXOPN-ZHBQJWOISA-N 2 0 336.307 2.474 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001438931993 1091614356 /nfs/dbraw/zinc/61/43/56/1091614356.db2.gz LMICDCVYBPJAOM-GOSISDBHSA-N 2 0 343.515 2.407 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC001439114764 1091759982 /nfs/dbraw/zinc/75/99/82/1091759982.db2.gz NSXZQUSQPLHTKY-QAPCUYQASA-N 2 0 333.476 2.164 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001439130942 1091777253 /nfs/dbraw/zinc/77/72/53/1091777253.db2.gz QJBGEDUEXPHVOR-VQIMIIECSA-N 2 0 347.503 2.410 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001445871418 1091795883 /nfs/dbraw/zinc/79/58/83/1091795883.db2.gz PUIABDAXHJHCIC-APWZRJJASA-N 2 0 331.504 2.180 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001445877595 1091804031 /nfs/dbraw/zinc/80/40/31/1091804031.db2.gz YTSHQXLUZBAWII-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001439284404 1091945427 /nfs/dbraw/zinc/94/54/27/1091945427.db2.gz IKKQGHVGGZPNRG-ZDUSSCGKSA-N 2 0 340.537 2.375 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001439499020 1092331328 /nfs/dbraw/zinc/33/13/28/1092331328.db2.gz SMDPGBIVKDOKKG-QGZVFWFLSA-N 2 0 335.879 2.420 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccsc2)CC1)C12CCC[NH+](CCC1)C2 ZINC001439622312 1092532115 /nfs/dbraw/zinc/53/21/15/1092532115.db2.gz AGLGFVVWADGMAA-UHFFFAOYSA-N 2 0 333.501 2.363 10 0 EEAERP Cc1cncc(C[N@H+]2CCC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)c1 ZINC001446330596 1092533142 /nfs/dbraw/zinc/53/31/42/1092533142.db2.gz KHWDGLMTLPPVOY-FQEVSTJZSA-N 2 0 344.503 2.156 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)sn1 ZINC001439644606 1092568911 /nfs/dbraw/zinc/56/89/11/1092568911.db2.gz IYFMOCFTWYGYAW-UHFFFAOYSA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cncs1 ZINC001439826012 1092813078 /nfs/dbraw/zinc/81/30/78/1092813078.db2.gz PPGXMULRDRTYPS-CABCVRRESA-N 2 0 336.505 2.050 10 0 EEAERP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439864250 1092895752 /nfs/dbraw/zinc/89/57/52/1092895752.db2.gz GQVGTKUTAIJLHE-QAPCUYQASA-N 2 0 335.517 2.479 10 0 EEAERP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001440203975 1093274428 /nfs/dbraw/zinc/27/44/28/1093274428.db2.gz RAMXCGMJDFIJJO-ZWKOTPCHSA-N 2 0 348.491 2.197 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH2+]CC2CCC2)C1 ZINC001440419297 1093615186 /nfs/dbraw/zinc/61/51/86/1093615186.db2.gz GRYOWVOOURTLQE-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP Cc1ncccc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001440520495 1093772284 /nfs/dbraw/zinc/77/22/84/1093772284.db2.gz OVFKNMWYHOQEBU-SFHVURJKSA-N 2 0 332.492 2.155 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001448710030 1093778938 /nfs/dbraw/zinc/77/89/38/1093778938.db2.gz NBQKKYGYEVKCRS-ULQDDVLXSA-N 2 0 332.492 2.057 10 0 EEAERP CCC1([NH2+]Cc2nccs2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440533416 1093794600 /nfs/dbraw/zinc/79/46/00/1093794600.db2.gz SRLQFHCJRXAOAF-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001448774575 1093853116 /nfs/dbraw/zinc/85/31/16/1093853116.db2.gz KAPCMLWBLXQNRC-INIZCTEOSA-N 2 0 334.508 2.029 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]C/C=C/Cl ZINC001440605492 1093870253 /nfs/dbraw/zinc/87/02/53/1093870253.db2.gz JYPFZBAFUWISHI-PWZNUNQRSA-N 2 0 325.884 2.051 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001440722595 1093966147 /nfs/dbraw/zinc/96/61/47/1093966147.db2.gz RTOCISAPWNBKHM-BMGDILEWSA-N 2 0 347.478 2.448 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440792762 1094034698 /nfs/dbraw/zinc/03/46/98/1094034698.db2.gz AKBUUEKXJHRDOQ-LSDHHAIUSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440818551 1094071581 /nfs/dbraw/zinc/07/15/81/1094071581.db2.gz IHAULMBXCHBFTO-HZPDHXFCSA-N 2 0 332.492 2.247 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001449065919 1094080458 /nfs/dbraw/zinc/08/04/58/1094080458.db2.gz WKIFGWHBWAQTRX-CABCVRRESA-N 2 0 336.480 2.124 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001441001477 1094274319 /nfs/dbraw/zinc/27/43/19/1094274319.db2.gz RLDTVRWGQWSUEO-GOEBONIOSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001449351057 1094310351 /nfs/dbraw/zinc/31/03/51/1094310351.db2.gz HQWOGIGAXOUHOZ-SJORKVTESA-N 2 0 344.503 2.140 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001449366809 1094332861 /nfs/dbraw/zinc/33/28/61/1094332861.db2.gz LZRLAODDKZQGQO-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001449375681 1094346333 /nfs/dbraw/zinc/34/63/33/1094346333.db2.gz TZVNJAQUQLMGIP-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)COC1CC[NH+](C)CC1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001449401224 1094382511 /nfs/dbraw/zinc/38/25/11/1094382511.db2.gz YZXUPYHMCQVCQD-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001449409251 1094391220 /nfs/dbraw/zinc/39/12/20/1094391220.db2.gz IWSDMEQOPSCPMS-WBVHZDCISA-N 2 0 339.499 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2F)C1 ZINC001449408666 1094391558 /nfs/dbraw/zinc/39/15/58/1094391558.db2.gz ZVIQTWRJYMNNBY-UHFFFAOYSA-N 2 0 339.430 2.384 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001441261584 1094666400 /nfs/dbraw/zinc/66/64/00/1094666400.db2.gz YITVLSGSWFYSHJ-QGZVFWFLSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001441365637 1094887853 /nfs/dbraw/zinc/88/78/53/1094887853.db2.gz DMSRPWNNICQPAC-YRGRVCCFSA-N 2 0 340.418 2.118 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001441443075 1095068962 /nfs/dbraw/zinc/06/89/62/1095068962.db2.gz RVISUCZYSQRQCE-SHTZXODSSA-N 2 0 325.403 2.042 10 0 EEAERP CC[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001441645766 1095584801 /nfs/dbraw/zinc/58/48/01/1095584801.db2.gz NWLIETGGNCOQJS-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@H]1C ZINC001441832921 1095894233 /nfs/dbraw/zinc/89/42/33/1095894233.db2.gz JEDSBPXNFQKKAQ-CJNGLKHVSA-N 2 0 339.430 2.384 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001441853220 1095942179 /nfs/dbraw/zinc/94/21/79/1095942179.db2.gz CEVCCZMTBHXESI-ZHALLVOQSA-N 2 0 337.508 2.011 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1C ZINC001441858557 1095955124 /nfs/dbraw/zinc/95/51/24/1095955124.db2.gz HSIQEEZPFOKYKQ-MAUKXSAKSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]32)co1 ZINC001441866851 1095975522 /nfs/dbraw/zinc/97/55/22/1095975522.db2.gz JTEKCNYDIFEXHX-CGTJXYLNSA-N 2 0 348.491 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001441894119 1096038604 /nfs/dbraw/zinc/03/86/04/1096038604.db2.gz FDCQLOJTMGOKEX-ZBFHGGJFSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)sn1 ZINC001441989740 1096192379 /nfs/dbraw/zinc/19/23/79/1096192379.db2.gz FHAJYTCXRXDYOL-CQSZACIVSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]Cc1ccsc1 ZINC001442008246 1096212759 /nfs/dbraw/zinc/21/27/59/1096212759.db2.gz DNKNULNRSVMVQI-CQSZACIVSA-N 2 0 335.517 2.464 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001442010816 1096216066 /nfs/dbraw/zinc/21/60/66/1096216066.db2.gz OJTMHKGQPWBADM-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)CC[N@@H+]1C ZINC001442139594 1096386501 /nfs/dbraw/zinc/38/65/01/1096386501.db2.gz JGNNVJJOPOSXPZ-BPLDGKMQSA-N 2 0 345.478 2.492 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001442142733 1096389817 /nfs/dbraw/zinc/38/98/17/1096389817.db2.gz MUWGYEUYZOJEDL-KSSFIOAISA-N 2 0 333.451 2.203 10 0 EEAERP Cc1cnc([C@H](C)[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001442208568 1096495915 /nfs/dbraw/zinc/49/59/15/1096495915.db2.gz FXHXUTLYYLOAPI-DLBZAZTESA-N 2 0 347.507 2.109 10 0 EEAERP Cc1cnc([C@@H](C)[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001442208581 1096496152 /nfs/dbraw/zinc/49/61/52/1096496152.db2.gz FXHXUTLYYLOAPI-SJORKVTESA-N 2 0 347.507 2.109 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001442228051 1096526230 /nfs/dbraw/zinc/52/62/30/1096526230.db2.gz VDMGSMFWFCMCKJ-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001442252897 1096554375 /nfs/dbraw/zinc/55/43/75/1096554375.db2.gz IKZBYGFOSSECSX-YJBOKZPZSA-N 2 0 347.478 2.460 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001442257988 1096560411 /nfs/dbraw/zinc/56/04/11/1096560411.db2.gz NJFXJLVXMKAGMB-PBHICJAKSA-N 2 0 335.517 2.117 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]Cc1ccon1 ZINC001442263424 1096567351 /nfs/dbraw/zinc/56/73/51/1096567351.db2.gz ZHJPMJVANXJGIU-HZPDHXFCSA-N 2 0 348.491 2.314 10 0 EEAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001442291254 1096606376 /nfs/dbraw/zinc/60/63/76/1096606376.db2.gz QSSHDWXGDDBCJY-ZIAGYGMSSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2cccc(F)c2)C1 ZINC001442580957 1096945984 /nfs/dbraw/zinc/94/59/84/1096945984.db2.gz YMDVGRGPQDCECF-SJLPKXTDSA-N 2 0 335.467 2.494 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC001442799177 1097179517 /nfs/dbraw/zinc/17/95/17/1097179517.db2.gz JAPMFQPJLNFFRJ-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C[C@H]1CCCCO1 ZINC001442954329 1097372280 /nfs/dbraw/zinc/37/22/80/1097372280.db2.gz IWENQZQJUOTUIM-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001443081654 1097495267 /nfs/dbraw/zinc/49/52/67/1097495267.db2.gz UMXUUARDXVXLDU-MOPGFXCFSA-N 2 0 345.462 2.203 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)s1 ZINC001479475785 1098557723 /nfs/dbraw/zinc/55/77/23/1098557723.db2.gz SACZHCVDOHSRIV-LSDHHAIUSA-N 2 0 338.521 2.086 10 0 EEAERP CN(C(=O)NC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001479490573 1098563578 /nfs/dbraw/zinc/56/35/78/1098563578.db2.gz KURRHQYGCSEASA-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001479524236 1098589948 /nfs/dbraw/zinc/58/99/48/1098589948.db2.gz PEFDTSKBSAQCCF-FUHWJXTLSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001444160513 1098709082 /nfs/dbraw/zinc/70/90/82/1098709082.db2.gz VXDAHYRSPHVDEA-DNVCBOLYSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)c1 ZINC001444160820 1098709160 /nfs/dbraw/zinc/70/91/60/1098709160.db2.gz KQZCNCYUYYEPIR-PXNSSMCTSA-N 2 0 346.519 2.496 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001444240346 1098802142 /nfs/dbraw/zinc/80/21/42/1098802142.db2.gz DANAAHCIMNAFBY-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@H]1CCc2ccccc2C1 ZINC001479719202 1098804301 /nfs/dbraw/zinc/80/43/01/1098804301.db2.gz OEMPMVGASOJZPW-UWVAXJGDSA-N 2 0 343.515 2.322 10 0 EEAERP CC(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)CCC[NH+](C)C)C2 ZINC001479741279 1098861085 /nfs/dbraw/zinc/86/10/85/1098861085.db2.gz DBFOCVQEYLKRAM-UHFFFAOYSA-N 2 0 338.521 2.115 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCOC1CCC1 ZINC001479778115 1098960559 /nfs/dbraw/zinc/96/05/59/1098960559.db2.gz MKEQKOXIJBZXMR-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H]([NH2+]CCC1CCOCC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828576 1099108770 /nfs/dbraw/zinc/10/87/70/1099108770.db2.gz BRLQCBOZZYGGMP-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cncn1C ZINC001479843284 1099133729 /nfs/dbraw/zinc/13/37/29/1099133729.db2.gz BMEJIXCWDOMCMW-UHFFFAOYSA-N 2 0 349.523 2.013 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C[C@@H]1CCOC1 ZINC001479855648 1099157324 /nfs/dbraw/zinc/15/73/24/1099157324.db2.gz CCVITVVSRRXSPX-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001444635556 1099463151 /nfs/dbraw/zinc/46/31/51/1099463151.db2.gz ZIFCXZQIOIWSDO-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001444647697 1099477792 /nfs/dbraw/zinc/47/77/92/1099477792.db2.gz GJNUICXTRUYLCY-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444667110 1099507362 /nfs/dbraw/zinc/50/73/62/1099507362.db2.gz PCHWZKGNDDICTP-JKSUJKDBSA-N 2 0 335.467 2.434 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444674055 1099517148 /nfs/dbraw/zinc/51/71/48/1099517148.db2.gz MVOXZYGLKXLBRA-UXLLHSPISA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001480047751 1099552045 /nfs/dbraw/zinc/55/20/45/1099552045.db2.gz VMSZBEDNPLLWRL-MAUKXSAKSA-N 2 0 325.472 2.093 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001444792130 1099704927 /nfs/dbraw/zinc/70/49/27/1099704927.db2.gz QXCBOPAUNOBHHT-SJLPKXTDSA-N 2 0 349.523 2.131 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccnc2)C(C)C)CC[N@@H+]1C ZINC001444876649 1099890492 /nfs/dbraw/zinc/89/04/92/1099890492.db2.gz UVXJIQPVUVCUGB-RCCFBDPRSA-N 2 0 332.492 2.042 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCOC)C1 ZINC001480272079 1099979855 /nfs/dbraw/zinc/97/98/55/1099979855.db2.gz OSEJVERKRNEQTR-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480302180 1100020798 /nfs/dbraw/zinc/02/07/98/1100020798.db2.gz HRVWTBHAHBHBCA-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccns2)C1 ZINC001480302100 1100020910 /nfs/dbraw/zinc/02/09/10/1100020910.db2.gz GDUVWDDVMMWNHL-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444939024 1100051428 /nfs/dbraw/zinc/05/14/28/1100051428.db2.gz ZNABUZKLFNFEEC-HKUYNNGSSA-N 2 0 342.487 2.350 10 0 EEAERP COCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001480458988 1100264789 /nfs/dbraw/zinc/26/47/89/1100264789.db2.gz GXTLJQKDAXVESX-VQIMIIECSA-N 2 0 347.503 2.300 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480462070 1100266384 /nfs/dbraw/zinc/26/63/84/1100266384.db2.gz GINYGDNWUMQFBX-QFBILLFUSA-N 2 0 329.488 2.240 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001480464012 1100270099 /nfs/dbraw/zinc/27/00/99/1100270099.db2.gz LSGVHTXBVZCZFK-RYGJVYDSSA-N 2 0 343.515 2.500 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC[C@@H]1CCCCO1 ZINC001480537248 1100366698 /nfs/dbraw/zinc/36/66/98/1100366698.db2.gz NBVHOYRDJBAYHX-HOTGVXAUSA-N 2 0 327.513 2.018 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnoc1C)c1ccccc1 ZINC001480570198 1100414342 /nfs/dbraw/zinc/41/43/42/1100414342.db2.gz RWCKPHPEKMBKRW-KDOFPFPSSA-N 2 0 344.459 2.270 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001445362260 1100598420 /nfs/dbraw/zinc/59/84/20/1100598420.db2.gz UARXRFJJMWXGCP-APWZRJJASA-N 2 0 346.519 2.220 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC2CCC(C(F)(F)F)CC2)C1 ZINC001446370826 1100739573 /nfs/dbraw/zinc/73/95/73/1100739573.db2.gz FAFNRHRRNGPRCE-UHFFFAOYSA-N 2 0 349.441 2.449 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001496211286 1100759160 /nfs/dbraw/zinc/75/91/60/1100759160.db2.gz UWWQBLSGXLEVTM-CZUORRHYSA-N 2 0 340.899 2.258 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001496278087 1100859330 /nfs/dbraw/zinc/85/93/30/1100859330.db2.gz GKMURTGFVZIZFA-QZTJIDSGSA-N 2 0 332.492 2.186 10 0 EEAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CCCCC1 ZINC001496325646 1100921674 /nfs/dbraw/zinc/92/16/74/1100921674.db2.gz JFXRAXOPQLDHRC-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](Cc2ccccn2)C1 ZINC001446530040 1100986626 /nfs/dbraw/zinc/98/66/26/1100986626.db2.gz YDGSENVDRXEKJZ-PKOBYXMFSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cncc2C)on1 ZINC001496399989 1100992767 /nfs/dbraw/zinc/99/27/67/1100992767.db2.gz BXUIJVGKHJEBIJ-INIZCTEOSA-N 2 0 345.447 2.049 10 0 EEAERP C[C@@](C[NH2+]CCc1ccccc1F)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495299555 1100999562 /nfs/dbraw/zinc/99/95/62/1100999562.db2.gz NFZMHLKLLNYFTM-FQEVSTJZSA-N 2 0 347.478 2.339 10 0 EEAERP Cc1cccc(OCC[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001446556931 1101035683 /nfs/dbraw/zinc/03/56/83/1101035683.db2.gz HQVFBLUWJAMFOM-FQEVSTJZSA-N 2 0 345.487 2.050 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001446563533 1101046332 /nfs/dbraw/zinc/04/63/32/1101046332.db2.gz ORZBZFOEZQKRLK-ZBFHGGJFSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@]1(C[NH2+]C/C(Cl)=C/Cl)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001446598475 1101092632 /nfs/dbraw/zinc/09/26/32/1101092632.db2.gz BRLCQYRQKIXGEW-JEMSNHSXSA-N 2 0 334.291 2.229 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001495398744 1101120166 /nfs/dbraw/zinc/12/01/66/1101120166.db2.gz YJACZXXHWSXQPS-AEFFLSMTSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001495466287 1101176822 /nfs/dbraw/zinc/17/68/22/1101176822.db2.gz UPMRKRSQPSQRLL-ULQDDVLXSA-N 2 0 339.524 2.039 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001446722995 1101293764 /nfs/dbraw/zinc/29/37/64/1101293764.db2.gz DQEJLLQFHOCMQX-HUUCEWRRSA-N 2 0 333.467 2.448 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001496817346 1101525856 /nfs/dbraw/zinc/52/58/56/1101525856.db2.gz XDOFFTLCAOZAJT-UHFFFAOYSA-N 2 0 329.488 2.289 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001446938594 1101624333 /nfs/dbraw/zinc/62/43/33/1101624333.db2.gz NEJMXQKFYZZZRP-QFBILLFUSA-N 2 0 346.519 2.367 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC001446939783 1101626270 /nfs/dbraw/zinc/62/62/70/1101626270.db2.gz INTMRLCLJFPRCX-FUHWJXTLSA-N 2 0 347.503 2.221 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]32)o1 ZINC001496867144 1101640825 /nfs/dbraw/zinc/64/08/25/1101640825.db2.gz JGWPVRYEJZIRHM-SJORKVTESA-N 2 0 348.491 2.054 10 0 EEAERP C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446949456 1101643012 /nfs/dbraw/zinc/64/30/12/1101643012.db2.gz ZFIZFRAKPVPBEM-YJBOKZPZSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCc3ccccc3)C2)CC1 ZINC001447114037 1102012966 /nfs/dbraw/zinc/01/29/66/1102012966.db2.gz ILIFQGDMFDSGIB-UHFFFAOYSA-N 2 0 343.515 2.494 10 0 EEAERP CCc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001497214952 1102137976 /nfs/dbraw/zinc/13/79/76/1102137976.db2.gz KOQGKEQXAJFFLY-ZFWWWQNUSA-N 2 0 336.480 2.014 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497303720 1102286435 /nfs/dbraw/zinc/28/64/35/1102286435.db2.gz JNJXXKJPRZXFGX-HUUCEWRRSA-N 2 0 336.480 2.124 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)s1 ZINC001497333327 1102339332 /nfs/dbraw/zinc/33/93/32/1102339332.db2.gz RYFBNGBFHJOMOF-CQSZACIVSA-N 2 0 338.521 2.312 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)CC[NH+](C)C ZINC001497447376 1102503765 /nfs/dbraw/zinc/50/37/65/1102503765.db2.gz LCQFJYSJNUUIPA-ZDUSSCGKSA-N 2 0 327.419 2.416 10 0 EEAERP CN(CCC[N@H+](C)CCc1ccccc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001447372843 1102550461 /nfs/dbraw/zinc/55/04/61/1102550461.db2.gz YNUGMIVUOMTLAJ-LJQANCHMSA-N 2 0 331.504 2.351 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001447435776 1102650247 /nfs/dbraw/zinc/65/02/47/1102650247.db2.gz BPIJBKXZUJBCJY-IBGZPJMESA-N 2 0 348.491 2.138 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001497549694 1102654303 /nfs/dbraw/zinc/65/43/03/1102654303.db2.gz UKXZJHIIDUJUKG-SWVJOTTGSA-N 2 0 329.435 2.168 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cccc(Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001497578090 1102692058 /nfs/dbraw/zinc/69/20/58/1102692058.db2.gz GJSXOAZNDGTIQV-ZMXQLYDGSA-N 2 0 347.890 2.444 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(F)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001497580492 1102694764 /nfs/dbraw/zinc/69/47/64/1102694764.db2.gz WEHVAFNPUFIQLR-WZHGYECESA-N 2 0 349.425 2.069 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001497683683 1102897427 /nfs/dbraw/zinc/89/74/27/1102897427.db2.gz RMOMNAKGRDOSMF-LNMLPRMJSA-N 2 0 347.478 2.342 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(CF)cc1)C12CC[NH+](CC1)C2 ZINC001497727576 1102975995 /nfs/dbraw/zinc/97/59/95/1102975995.db2.gz OGXRIHPVIPSUDN-UPHRSURJSA-N 2 0 331.435 2.014 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C(C)C)sn1 ZINC001493877115 1103013545 /nfs/dbraw/zinc/01/35/45/1103013545.db2.gz NGFKGGBDPDRHPR-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001493898897 1103077572 /nfs/dbraw/zinc/07/75/72/1103077572.db2.gz MEQQCNYRUHYFDD-PKOBYXMFSA-N 2 0 347.503 2.344 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001447747514 1103224298 /nfs/dbraw/zinc/22/42/98/1103224298.db2.gz UOMXWPWQOYRZOF-QAETUUGQSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494171153 1103638559 /nfs/dbraw/zinc/63/85/59/1103638559.db2.gz HEVRMMDVOPTHGE-PMACEKPBSA-N 2 0 343.515 2.351 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2ncccc2c1 ZINC001448143128 1104099160 /nfs/dbraw/zinc/09/91/60/1104099160.db2.gz CQQLQUXWPVJTNA-QAPCUYQASA-N 2 0 340.471 2.123 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)sc1C ZINC001498042233 1106823603 /nfs/dbraw/zinc/82/36/03/1106823603.db2.gz MNXZDHIWHFJJAG-SWLSCSKDSA-N 2 0 338.521 2.227 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001480700687 1106912761 /nfs/dbraw/zinc/91/27/61/1106912761.db2.gz HACKDLSNZPTICO-IAGOWNOFSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498118594 1106945435 /nfs/dbraw/zinc/94/54/35/1106945435.db2.gz SUCROEOWXSUUGE-HOTGVXAUSA-N 2 0 340.471 2.171 10 0 EEAERP Cc1ccccc1OCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001493161766 1107617738 /nfs/dbraw/zinc/61/77/38/1107617738.db2.gz NMUVTVJWOHSTTP-GOSISDBHSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)oc1C ZINC001498488700 1107623280 /nfs/dbraw/zinc/62/32/80/1107623280.db2.gz JIXCQURPYQECHR-JKSUJKDBSA-N 2 0 336.480 2.008 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001493231026 1107732109 /nfs/dbraw/zinc/73/21/09/1107732109.db2.gz TZAZBUNZFJKFDB-GOSISDBHSA-N 2 0 346.519 2.033 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C2(C[NH+](C)C)CC2)cc1F ZINC001498602021 1107789948 /nfs/dbraw/zinc/78/99/48/1107789948.db2.gz GHIWDHQOSFCCLS-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001498603151 1107793153 /nfs/dbraw/zinc/79/31/53/1107793153.db2.gz LKRWZLWJEXDLEG-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001498604072 1107796920 /nfs/dbraw/zinc/79/69/20/1107796920.db2.gz VCPZTVKDOBLDKG-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)Cc1cncc(F)c1 ZINC001493302332 1107898587 /nfs/dbraw/zinc/89/85/87/1107898587.db2.gz JLIBYAQJOXIHAT-UHFFFAOYSA-N 2 0 348.466 2.177 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001498760744 1108046617 /nfs/dbraw/zinc/04/66/17/1108046617.db2.gz RIOAFFQTCRBAGU-ZMYBRWDISA-N 2 0 345.487 2.020 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]Cc2conc2C)C2CC2)C1 ZINC001498808642 1108143765 /nfs/dbraw/zinc/14/37/65/1108143765.db2.gz WXDLDHFEQROIPJ-WMZOPIPTSA-N 2 0 348.491 2.089 10 0 EEAERP O=C(N[C@@]12CC[N@H+](C1)CCC2)[C@@H]1CCCCN1Cc1ccccc1 ZINC001455052423 1108154842 /nfs/dbraw/zinc/15/48/42/1108154842.db2.gz RYJWAHUWGRVZAA-ICSRJNTNSA-N 2 0 327.472 2.396 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001498987510 1108419431 /nfs/dbraw/zinc/41/94/31/1108419431.db2.gz XSMDUFMZOJMQON-DLBZAZTESA-N 2 0 339.499 2.437 10 0 EEAERP C[NH+](C)[C@]1(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCSC1 ZINC001457681046 1109727804 /nfs/dbraw/zinc/72/78/04/1109727804.db2.gz LYURKLCKJWWFKY-LNLFQRSKSA-N 2 0 347.528 2.233 10 0 EEAERP Cc1cc(C[NH+]2CCC(C)(NC(=O)CCCC[NH+](C)C)CC2)on1 ZINC001500006453 1112576543 /nfs/dbraw/zinc/57/65/43/1112576543.db2.gz SUJVXRVZTAUYRG-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500616589 1112978617 /nfs/dbraw/zinc/97/86/17/1112978617.db2.gz FXYGAXGMMLHKDN-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP COCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001501063382 1113186047 /nfs/dbraw/zinc/18/60/47/1113186047.db2.gz SHFBPJXEAXBYCJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001502068696 1113576560 /nfs/dbraw/zinc/57/65/60/1113576560.db2.gz IGYALQHQNZTQCI-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)Cc2cncs2)CC[N@@H+]1C ZINC001502336425 1113633079 /nfs/dbraw/zinc/63/30/79/1113633079.db2.gz KZKHVMWKXDWODY-JKSUJKDBSA-N 2 0 338.521 2.154 10 0 EEAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCOCC2CCC2)CC1)[NH+](C)C ZINC001502805500 1113805892 /nfs/dbraw/zinc/80/58/92/1113805892.db2.gz IYQBRXHRUNNKIE-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001502923079 1113857039 /nfs/dbraw/zinc/85/70/39/1113857039.db2.gz MXNPCOZIZUFEAN-IAGOWNOFSA-N 2 0 349.523 2.218 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001505410434 1113944955 /nfs/dbraw/zinc/94/49/55/1113944955.db2.gz PADSMZHGXMYOBQ-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)CC1CCC1 ZINC001506001787 1114334380 /nfs/dbraw/zinc/33/43/80/1114334380.db2.gz IGMYEBYKUQUDHF-KBXCAEBGSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001506478644 1114637604 /nfs/dbraw/zinc/63/76/04/1114637604.db2.gz AQCZMZWNJBBELU-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C1 ZINC001506851212 1114914199 /nfs/dbraw/zinc/91/41/99/1114914199.db2.gz CRQMOLFWAGOBPD-MGPQQGTHSA-N 2 0 348.318 2.474 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001506935290 1114985338 /nfs/dbraw/zinc/98/53/38/1114985338.db2.gz HGESYVOABXGDQQ-JYJNAYRXSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001506937252 1114986744 /nfs/dbraw/zinc/98/67/44/1114986744.db2.gz UQQSAYOXUWOLAH-INIZCTEOSA-N 2 0 332.492 2.106 10 0 EEAERP CC(C)OCCC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001506960772 1115008960 /nfs/dbraw/zinc/00/89/60/1115008960.db2.gz LWRPOEZOUQAXCC-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1conc1C[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001506986969 1115033584 /nfs/dbraw/zinc/03/35/84/1115033584.db2.gz JXWSJVSZAVCUFN-OAHLLOKOSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001507123533 1115120017 /nfs/dbraw/zinc/12/00/17/1115120017.db2.gz PUHJRCKHESNZDW-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)[C@H]1C ZINC001507299295 1115180465 /nfs/dbraw/zinc/18/04/65/1115180465.db2.gz UURSQFBCUVAXAO-MJGOQNOKSA-N 2 0 347.503 2.375 10 0 EEAERP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCCCF ZINC001507381535 1115240583 /nfs/dbraw/zinc/24/05/83/1115240583.db2.gz IZSXCKJFYAONJA-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001568060053 1124265792 /nfs/dbraw/zinc/26/57/92/1124265792.db2.gz DOWKJPCTBCFANY-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001568085353 1124290830 /nfs/dbraw/zinc/29/08/30/1124290830.db2.gz YLJUBQVCBAZXJU-ZMSDIMECSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312353 1124416314 /nfs/dbraw/zinc/41/63/14/1124416314.db2.gz KSUQDWCAOGLFJU-OAHLLOKOSA-N 2 0 349.906 2.415 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001568652524 1124663126 /nfs/dbraw/zinc/66/31/26/1124663126.db2.gz NGUJGHBBTJAAIJ-CYBMUJFWSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001568672664 1124686244 /nfs/dbraw/zinc/68/62/44/1124686244.db2.gz QEANDUIWPWYUMP-LLVKDONJSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001568686679 1124697800 /nfs/dbraw/zinc/69/78/00/1124697800.db2.gz BFZHITPMYJTMBY-RDJZCZTQSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568708527 1124726413 /nfs/dbraw/zinc/72/64/13/1124726413.db2.gz JDJDSIZWGWSSIW-HOCLYGCPSA-N 2 0 329.444 2.369 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568710352 1124726984 /nfs/dbraw/zinc/72/69/84/1124726984.db2.gz LFMZBMATACXZSF-GDBMZVCRSA-N 2 0 337.895 2.319 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001568747384 1124760292 /nfs/dbraw/zinc/76/02/92/1124760292.db2.gz LNLGIULRKDHDME-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CCN(CC[NH2+]CCOc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001568756884 1124770438 /nfs/dbraw/zinc/77/04/38/1124770438.db2.gz ZGELZKZTNFIORG-UHFFFAOYSA-N 2 0 345.487 2.132 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1F ZINC001568859383 1124882791 /nfs/dbraw/zinc/88/27/91/1124882791.db2.gz ZTBKRWJUCSNFME-XFHJGTJQSA-N 2 0 333.451 2.462 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)C12CCC[NH+](CCC1)C2 ZINC001568870764 1124896793 /nfs/dbraw/zinc/89/67/93/1124896793.db2.gz GAGJPKMLGQUIJC-OWOJBTEDSA-N 2 0 341.446 2.170 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001568919832 1124947447 /nfs/dbraw/zinc/94/74/47/1124947447.db2.gz JQNBEMDDNPAGAL-YATRRXNKSA-N 2 0 341.499 2.279 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568940433 1124973805 /nfs/dbraw/zinc/97/38/05/1124973805.db2.gz VVULNVHZRUNHAL-WAYWQWQTSA-N 2 0 348.491 2.039 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001568964105 1124999877 /nfs/dbraw/zinc/99/98/77/1124999877.db2.gz OSNHNTNXZIWKIL-LPQSXRFUSA-N 2 0 349.425 2.310 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001569081669 1125087310 /nfs/dbraw/zinc/08/73/10/1125087310.db2.gz WBOMTCPCWIJDQF-SJORKVTESA-N 2 0 331.504 2.228 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569188477 1125153278 /nfs/dbraw/zinc/15/32/78/1125153278.db2.gz IWWXLWWHOSHIGG-MSOLQXFVSA-N 2 0 333.451 2.345 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccs1 ZINC000173928851 231073511 /nfs/dbraw/zinc/07/35/11/231073511.db2.gz PMIMEJDMDABPIJ-CABCVRRESA-N 2 0 334.489 2.007 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134450 283124299 /nfs/dbraw/zinc/12/42/99/283124299.db2.gz XDLOQVMYUVJJNO-GBESFXJTSA-N 2 0 340.471 2.088 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000038003378 213187510 /nfs/dbraw/zinc/18/75/10/213187510.db2.gz KQKNGMMCBLMRIK-LLVKDONJSA-N 2 0 332.311 2.409 10 0 EEAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)c1 ZINC000422771761 240218351 /nfs/dbraw/zinc/21/83/51/240218351.db2.gz YNTJLBIAZNBEHZ-WTLGNFPFSA-N 2 0 333.476 2.006 10 0 EEAERP C[C@@H]1CCNC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995878 240321017 /nfs/dbraw/zinc/32/10/17/240321017.db2.gz ZRLRZBJEAYNHTL-XNRPHZJLSA-N 2 0 330.394 2.444 10 0 EEAERP CS[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1[NH+](C)C ZINC000426995008 241363629 /nfs/dbraw/zinc/36/36/29/241363629.db2.gz LVRAJCZMSCDGQI-GJZGRUSLSA-N 2 0 327.538 2.003 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230136323 242237833 /nfs/dbraw/zinc/23/78/33/242237833.db2.gz GMKIHDQVUOEMGF-KZNAEPCWSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@@H]1CC[C@](CO)([NH+](C)CCC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196957 247085479 /nfs/dbraw/zinc/08/54/79/247085479.db2.gz SWCWSNFQYJTANL-YRXWBPOGSA-N 2 0 326.525 2.342 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC[N@@H+]1Cc1ccccc1 ZINC000263116872 152379219 /nfs/dbraw/zinc/37/92/19/152379219.db2.gz ARNYVKVKJNDGIA-ZBFHGGJFSA-N 2 0 337.414 2.107 10 0 EEAERP O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000354155953 153142039 /nfs/dbraw/zinc/14/20/39/153142039.db2.gz SRNXVEFGEONHIV-OTYNDTSQSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000246987273 160304561 /nfs/dbraw/zinc/30/45/61/160304561.db2.gz FCQPNGQVDKAHHV-NZSAHSFTSA-N 2 0 327.472 2.346 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247942601 160333957 /nfs/dbraw/zinc/33/39/57/160333957.db2.gz GPIWIJRKNXVMCE-MAUKXSAKSA-N 2 0 331.460 2.440 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000343441080 161136169 /nfs/dbraw/zinc/13/61/69/161136169.db2.gz IPMKVJVCVWKCKK-RDTXWAMCSA-N 2 0 335.467 2.437 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000343716773 161161384 /nfs/dbraw/zinc/16/13/84/161161384.db2.gz FBMAAYZRBDDXFB-INIZCTEOSA-N 2 0 327.538 2.004 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000352359580 162104376 /nfs/dbraw/zinc/10/43/76/162104376.db2.gz IABGYASKAVAVPQ-UHFFFAOYSA-N 2 0 335.414 2.250 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000356091797 163331404 /nfs/dbraw/zinc/33/14/04/163331404.db2.gz MMXOFIFWABWQPW-GOEBONIOSA-N 2 0 338.521 2.334 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000375854761 167212584 /nfs/dbraw/zinc/21/25/84/167212584.db2.gz WDKORRINFUXXKE-SQNIBIBYSA-N 2 0 333.451 2.408 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@H]2CCC[C@H]21 ZINC000376729198 167382231 /nfs/dbraw/zinc/38/22/31/167382231.db2.gz NFQVLZZFMDWSKM-QLFBSQMISA-N 2 0 341.297 2.498 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000157766027 292572811 /nfs/dbraw/zinc/57/28/11/292572811.db2.gz YQRLBBLMXVMGAT-KRWDZBQOSA-N 2 0 326.529 2.384 10 0 EEAERP CN(CCC[N@H+](C)Cc1cnc(-c2ccccc2)[nH]1)CC[NH+](C)C ZINC000290167606 275185974 /nfs/dbraw/zinc/18/59/74/275185974.db2.gz MNNVIDLXNKNFMM-UHFFFAOYSA-N 2 0 329.492 2.392 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)C1 ZINC000292075507 275372320 /nfs/dbraw/zinc/37/23/20/275372320.db2.gz FCZURGVIMMDXNF-PXNSSMCTSA-N 2 0 327.472 2.176 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179383258 277166881 /nfs/dbraw/zinc/16/68/81/277166881.db2.gz BPDVXWBPBSWFBP-ROUUACIJSA-N 2 0 330.476 2.217 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000359656409 278825618 /nfs/dbraw/zinc/82/56/18/278825618.db2.gz XIRKOIBEZRUFTP-FQEVSTJZSA-N 2 0 347.503 2.114 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297265673 294197063 /nfs/dbraw/zinc/19/70/63/294197063.db2.gz PKSIZLHWLRWWHI-LSDHHAIUSA-N 2 0 329.448 2.254 10 0 EEAERP C[N@H+](CCNC(=O)NCc1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000297384143 294229062 /nfs/dbraw/zinc/22/90/62/294229062.db2.gz NGNAPKUMFCWFPX-UHFFFAOYSA-N 2 0 337.427 2.266 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000299362041 294724963 /nfs/dbraw/zinc/72/49/63/294724963.db2.gz VRSAEJCTGIATIA-MRXNPFEDSA-N 2 0 347.507 2.290 10 0 EEAERP C[C@H]1C[C@@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)CC[N@@H+]1C ZINC000351231111 312375028 /nfs/dbraw/zinc/37/50/28/312375028.db2.gz NUJICJUVPKXTPY-ZFWWWQNUSA-N 2 0 345.447 2.270 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000397625441 312446638 /nfs/dbraw/zinc/44/66/38/312446638.db2.gz XYNQBZVKOZUSFV-INIZCTEOSA-N 2 0 328.460 2.098 10 0 EEAERP C[C@@H]1C[C@H](C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]1 ZINC000414756031 313077134 /nfs/dbraw/zinc/07/71/34/313077134.db2.gz ITLXPZDIOQKVDA-KZNAEPCWSA-N 2 0 333.520 2.489 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417016357 313396260 /nfs/dbraw/zinc/39/62/60/313396260.db2.gz GASSBDOMHNYCSR-MOPGFXCFSA-N 2 0 342.487 2.359 10 0 EEAERP COCCC[NH+]1CCC(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417442050 313514779 /nfs/dbraw/zinc/51/47/79/313514779.db2.gz SJAIINRLAXLXPH-HNNXBMFYSA-N 2 0 348.491 2.006 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](Cc3nc(C)ccc3O)CC2)CC1 ZINC000421367624 314092962 /nfs/dbraw/zinc/09/29/62/314092962.db2.gz FLGRAZZCDHCEBY-UHFFFAOYSA-N 2 0 332.492 2.088 10 0 EEAERP Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1=O ZINC000527692262 317245573 /nfs/dbraw/zinc/24/55/73/317245573.db2.gz RJSJMOVDJRNSFX-INIZCTEOSA-N 2 0 337.427 2.182 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000541537180 318102190 /nfs/dbraw/zinc/10/21/90/318102190.db2.gz XRSBRAXUHZPFBW-MRXNPFEDSA-N 2 0 337.431 2.079 10 0 EEAERP CN(CCC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000541852294 318111486 /nfs/dbraw/zinc/11/14/86/318111486.db2.gz RRYZIGJJFDNPIP-INIZCTEOSA-N 2 0 332.473 2.389 10 0 EEAERP O=C(Cn1cnc2c1CCCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000542709917 318137393 /nfs/dbraw/zinc/13/73/93/318137393.db2.gz LPDOLVODWIYYDC-UHFFFAOYSA-N 2 0 330.476 2.239 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000542787313 318139987 /nfs/dbraw/zinc/13/99/87/318139987.db2.gz AZHFYYPTDCPRFR-UHFFFAOYSA-N 2 0 332.492 2.488 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000563593441 319027245 /nfs/dbraw/zinc/02/72/45/319027245.db2.gz VIVWKKFFVGTWSV-HUUCEWRRSA-N 2 0 344.450 2.080 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000563707621 319038721 /nfs/dbraw/zinc/03/87/21/319038721.db2.gz LBUHENWSNXPWDF-QGZVFWFLSA-N 2 0 341.411 2.263 10 0 EEAERP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000564152145 319069197 /nfs/dbraw/zinc/06/91/97/319069197.db2.gz MCKXYPAIMXWVSV-JKSUJKDBSA-N 2 0 345.462 2.238 10 0 EEAERP COc1ccc([C@H](C[NH3+])CN2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000564212356 319072608 /nfs/dbraw/zinc/07/26/08/319072608.db2.gz SYTWUPJCNVDZPD-YLJYHZDGSA-N 2 0 325.456 2.296 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000565550611 319193508 /nfs/dbraw/zinc/19/35/08/319193508.db2.gz RMDZPXMHCXZVLB-MSOLQXFVSA-N 2 0 329.488 2.309 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000575780087 320114284 /nfs/dbraw/zinc/11/42/84/320114284.db2.gz UZQMMNBWOASAIJ-APWZRJJASA-N 2 0 336.524 2.282 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000576699821 320196371 /nfs/dbraw/zinc/19/63/71/320196371.db2.gz JROAUDVHRWZWCI-UHFFFAOYSA-N 2 0 341.459 2.456 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000577000148 320223280 /nfs/dbraw/zinc/22/32/80/320223280.db2.gz DXNYINVHNNGNMJ-MSOLQXFVSA-N 2 0 336.524 2.375 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000577269251 320246052 /nfs/dbraw/zinc/24/60/52/320246052.db2.gz MAZDRWPUCGVZAH-IEBWSBKVSA-N 2 0 348.466 2.214 10 0 EEAERP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CCCO1 ZINC000341366896 465133604 /nfs/dbraw/zinc/13/36/04/465133604.db2.gz CUKODNUKMRVRTF-CQSZACIVSA-N 2 0 349.500 2.191 10 0 EEAERP CS[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1[NH+]1CCCC1 ZINC000356030618 465287342 /nfs/dbraw/zinc/28/73/42/465287342.db2.gz SWBFSDSRXVZMKV-IXDOHACOSA-N 2 0 339.549 2.289 10 0 EEAERP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000568202564 468296008 /nfs/dbraw/zinc/29/60/08/468296008.db2.gz QJDJSNCESXMCTO-QFBILLFUSA-N 2 0 345.487 2.290 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000568212718 468298317 /nfs/dbraw/zinc/29/83/17/468298317.db2.gz HUWAONUGIUTQMC-HOCLYGCPSA-N 2 0 337.895 2.443 10 0 EEAERP CCn1ccnc1CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000298415927 465389870 /nfs/dbraw/zinc/38/98/70/465389870.db2.gz KWOVYFHFPCBHMN-DOTOQJQBSA-N 2 0 341.459 2.365 10 0 EEAERP Cc1ncn(CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1C ZINC000113506163 462598284 /nfs/dbraw/zinc/59/82/84/462598284.db2.gz YMNTZNANSDZOSV-KRWDZBQOSA-N 2 0 326.444 2.405 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088597860 462637309 /nfs/dbraw/zinc/63/73/09/462637309.db2.gz BRLJFYRMQOTGDN-ALOPSCKCSA-N 2 0 348.491 2.368 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000129033858 462686084 /nfs/dbraw/zinc/68/60/84/462686084.db2.gz VCGIDRKYWOXAKJ-DLBZAZTESA-N 2 0 326.529 2.384 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1F ZINC000115845205 462732432 /nfs/dbraw/zinc/73/24/32/462732432.db2.gz HKHAVSFKPAGTEM-MRXNPFEDSA-N 2 0 336.455 2.123 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000155292214 462871809 /nfs/dbraw/zinc/87/18/09/462871809.db2.gz HDNSBJHPHSNAFQ-AZUAARDMSA-N 2 0 344.503 2.435 10 0 EEAERP O=c1[nH]c(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)nc2ccccc21 ZINC000069601906 463284489 /nfs/dbraw/zinc/28/44/89/463284489.db2.gz OZMFSXNPZINSJY-UHFFFAOYSA-N 2 0 340.471 2.273 10 0 EEAERP C[C@H]1C[C@@H](N(C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123771364 463367528 /nfs/dbraw/zinc/36/75/28/463367528.db2.gz UBLXFSVKYCSXRB-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1cccc2c(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c[nH]c21 ZINC000109282297 463637621 /nfs/dbraw/zinc/63/76/21/463637621.db2.gz FIIIKGUZCCIOBN-UHFFFAOYSA-N 2 0 344.503 2.225 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000185240393 463785707 /nfs/dbraw/zinc/78/57/07/463785707.db2.gz WPGLGRKPMXDFPB-HNNXBMFYSA-N 2 0 338.521 2.478 10 0 EEAERP COCCC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268928333 463813835 /nfs/dbraw/zinc/81/38/35/463813835.db2.gz WRHFUYUIZFAJKJ-ICSRJNTNSA-N 2 0 333.520 2.455 10 0 EEAERP c1csc(-c2noc([C@@H]3COCCN3CC3CC[NH2+]CC3)n2)c1 ZINC000261671110 463822296 /nfs/dbraw/zinc/82/22/96/463822296.db2.gz GFXYEOYJROUVQQ-ZDUSSCGKSA-N 2 0 334.445 2.171 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000261737915 463844161 /nfs/dbraw/zinc/84/41/61/463844161.db2.gz NMDPBRRBEBBWGT-UHFFFAOYSA-N 2 0 337.467 2.018 10 0 EEAERP CN1CCO[C@H](CSCc2cccc(CN3CCOCC3)c2)C1 ZINC000579591180 468380649 /nfs/dbraw/zinc/38/06/49/468380649.db2.gz WNSODFAANSKJKY-SFHVURJKSA-N 2 0 336.501 2.083 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)N2CCCC2)o1 ZINC000261860998 463880603 /nfs/dbraw/zinc/88/06/03/463880603.db2.gz CBRBXWKMXYSQFY-MANSERQUSA-N 2 0 347.503 2.472 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000178698972 463944932 /nfs/dbraw/zinc/94/49/32/463944932.db2.gz NGKLSAFORJOPRG-QAPCUYQASA-N 2 0 336.524 2.233 10 0 EEAERP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CCC[N@@H+]2C)cc1 ZINC000237305191 464300945 /nfs/dbraw/zinc/30/09/45/464300945.db2.gz WFOMZQSMSVUEGU-WZGPROSRSA-N 2 0 345.487 2.322 10 0 EEAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000237964027 464411534 /nfs/dbraw/zinc/41/15/34/464411534.db2.gz MUCQGXIACRTNLL-LJQANCHMSA-N 2 0 327.472 2.208 10 0 EEAERP CN1CCN([C@@H]2CCCC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000174886047 464463039 /nfs/dbraw/zinc/46/30/39/464463039.db2.gz DIQGQHAJPWCRSV-GOSISDBHSA-N 2 0 345.487 2.060 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CC1 ZINC000245662986 464503237 /nfs/dbraw/zinc/50/32/37/464503237.db2.gz QDOPDSDUFQQALK-MSOLQXFVSA-N 2 0 330.476 2.215 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000246295051 464568454 /nfs/dbraw/zinc/56/84/54/464568454.db2.gz PEXIUJZPJQHJEB-FCCDEINASA-N 2 0 338.540 2.479 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000246430687 464582956 /nfs/dbraw/zinc/58/29/56/464582956.db2.gz SZECAHBKLJRMJP-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000337383281 465338939 /nfs/dbraw/zinc/33/89/39/465338939.db2.gz VQJSEXYVBWRMMM-HKUYNNGSSA-N 2 0 346.519 2.333 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000339739629 465478614 /nfs/dbraw/zinc/47/86/14/465478614.db2.gz DAIMNUPFAAPJQR-LJQANCHMSA-N 2 0 346.519 2.190 10 0 EEAERP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000348706800 465749139 /nfs/dbraw/zinc/74/91/39/465749139.db2.gz VBPZPGHTNCEHCV-HXUWFJFHSA-N 2 0 339.483 2.454 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000353269551 465760019 /nfs/dbraw/zinc/76/00/19/465760019.db2.gz IQHAFZYXADNFTB-NMLBUPMWSA-N 2 0 337.552 2.443 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N2CCOCC2)o1 ZINC000353464931 465905237 /nfs/dbraw/zinc/90/52/37/465905237.db2.gz WCLUAJXHTYKJTB-MKXGPGLRSA-N 2 0 347.503 2.424 10 0 EEAERP CN(CC[N@H+](C)Cc1cc(-n2ccnc2)cs1)C1CC[NH+](C)CC1 ZINC000349071276 465949361 /nfs/dbraw/zinc/94/93/61/465949361.db2.gz FMUIMEMPLQRSCJ-UHFFFAOYSA-N 2 0 347.532 2.392 10 0 EEAERP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353637361 466029267 /nfs/dbraw/zinc/02/92/67/466029267.db2.gz KXZYLTVRDNNCQP-IJEWVQPXSA-N 2 0 338.521 2.380 10 0 EEAERP C[C@H]1Cc2ccccc2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357803373 466223775 /nfs/dbraw/zinc/22/37/75/466223775.db2.gz OARCVHJSDCTPFG-HNNXBMFYSA-N 2 0 327.472 2.176 10 0 EEAERP CCOC(=O)c1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000600165214 468481678 /nfs/dbraw/zinc/48/16/78/468481678.db2.gz IJYVZEPAMSMJCF-MRXNPFEDSA-N 2 0 331.460 2.422 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000354186403 466356399 /nfs/dbraw/zinc/35/63/99/466356399.db2.gz FYMVSKYJALKJII-KRWDZBQOSA-N 2 0 329.488 2.425 10 0 EEAERP C[N@H+](CCCn1ccnc1)[C@H]1CCC[NH+](CCCn2ccnc2)CC1 ZINC000361990167 466464700 /nfs/dbraw/zinc/46/47/00/466464700.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 2 0 344.507 2.346 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000358162234 466506100 /nfs/dbraw/zinc/50/61/00/466506100.db2.gz GKXMIULDTBEPFB-QZTJIDSGSA-N 2 0 336.524 2.306 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000358181097 466519972 /nfs/dbraw/zinc/51/99/72/466519972.db2.gz CVZIXBMWKFPYGS-PKOBYXMFSA-N 2 0 346.519 2.297 10 0 EEAERP c1cc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)n[nH]1 ZINC000363764608 466603246 /nfs/dbraw/zinc/60/32/46/466603246.db2.gz MMQAPGRDBSYZAC-UHFFFAOYSA-N 2 0 330.432 2.214 10 0 EEAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423182963 466693463 /nfs/dbraw/zinc/69/34/63/466693463.db2.gz MCXDUJIQLCUITN-MOPGFXCFSA-N 3 0 331.504 2.263 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(F)c1 ZINC000416839564 466749981 /nfs/dbraw/zinc/74/99/81/466749981.db2.gz JXXODNSQQCYCKC-JZXOWHBKSA-N 2 0 348.466 2.069 10 0 EEAERP C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000417027393 466758802 /nfs/dbraw/zinc/75/88/02/466758802.db2.gz ZSHZMUNLLQDJHF-MSOLQXFVSA-N 2 0 346.519 2.320 10 0 EEAERP Fc1cncc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)c1 ZINC000423516764 466762977 /nfs/dbraw/zinc/76/29/77/466762977.db2.gz XLJDCAWJLOLDLI-CTWPCTMYSA-N 2 0 332.467 2.478 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417050657 466765494 /nfs/dbraw/zinc/76/54/94/466765494.db2.gz XRKYGTWDYZWTJS-MHORFTMASA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H]1CCC[C@@](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000417220643 466807763 /nfs/dbraw/zinc/80/77/63/466807763.db2.gz YPHQHPFKMVBXGF-ASCQJNAESA-N 2 0 336.524 2.421 10 0 EEAERP C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000365432718 466817163 /nfs/dbraw/zinc/81/71/63/466817163.db2.gz USJATQKXFJCZLA-VYMRPNJYSA-N 2 0 336.524 2.423 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000417403464 466851526 /nfs/dbraw/zinc/85/15/26/466851526.db2.gz NSLQIHAAVPPWIV-GOSISDBHSA-N 2 0 330.476 2.174 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417584330 466887994 /nfs/dbraw/zinc/88/79/94/466887994.db2.gz MQYMVEJOCBESFN-ZACQAIPSSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417820866 466945077 /nfs/dbraw/zinc/94/50/77/466945077.db2.gz VFVNHGNMBORKBO-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417841972 466952712 /nfs/dbraw/zinc/95/27/12/466952712.db2.gz MJIIMTWZJRIZRU-HNNXBMFYSA-N 2 0 346.466 2.041 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000370657240 466955516 /nfs/dbraw/zinc/95/55/16/466955516.db2.gz PIKHVCAJHXJKGH-UHFFFAOYSA-N 2 0 327.538 2.195 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952027 467000596 /nfs/dbraw/zinc/00/05/96/467000596.db2.gz ZLEBBAUCYRGROR-TUKIKUTGSA-N 2 0 342.846 2.261 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)NCC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417982041 467008908 /nfs/dbraw/zinc/00/89/08/467008908.db2.gz DISNXQYCOLGXMF-SJORKVTESA-N 2 0 346.475 2.010 10 0 EEAERP C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418018042 467024336 /nfs/dbraw/zinc/02/43/36/467024336.db2.gz ZLTKNUYLPMPESW-QXAKKESOSA-N 2 0 344.503 2.338 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418031204 467028154 /nfs/dbraw/zinc/02/81/54/467028154.db2.gz KSBCESOFUGMNHO-NEWSRXKRSA-N 2 0 346.519 2.440 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000377104661 467029455 /nfs/dbraw/zinc/02/94/55/467029455.db2.gz KSDXXIWPZWHFQR-IYBDPMFKSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000418160665 467062426 /nfs/dbraw/zinc/06/24/26/467062426.db2.gz BJWUWVFLNOGTKT-ISARSNTHSA-N 2 0 344.503 2.380 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418182320 467068351 /nfs/dbraw/zinc/06/83/51/467068351.db2.gz MKSYTBQQEXUPMB-DKIMLUQUSA-N 2 0 330.476 2.071 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615136 467136270 /nfs/dbraw/zinc/13/62/70/467136270.db2.gz GTOXFSDZNLMTAD-KBAYOESNSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418614653 467136287 /nfs/dbraw/zinc/13/62/87/467136287.db2.gz JJNTVUPZHPICQF-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000414302293 467399939 /nfs/dbraw/zinc/39/99/39/467399939.db2.gz KMBGSGGXFQDRKT-IBGZPJMESA-N 2 0 342.487 2.488 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690244 467429344 /nfs/dbraw/zinc/42/93/44/467429344.db2.gz HLYSPYIRNIBPLJ-ZBFHGGJFSA-N 2 0 335.879 2.327 10 0 EEAERP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000414870133 467442962 /nfs/dbraw/zinc/44/29/62/467442962.db2.gz SAYUCBQASRBQPF-INIZCTEOSA-N 2 0 332.492 2.022 10 0 EEAERP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414881903 467444989 /nfs/dbraw/zinc/44/49/89/467444989.db2.gz LRIMDKVMDOESMM-AWEZNQCLSA-N 2 0 327.419 2.104 10 0 EEAERP CCOc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1OC ZINC000415055852 467477521 /nfs/dbraw/zinc/47/75/21/467477521.db2.gz PBIJEROFSXEJQH-UHFFFAOYSA-N 2 0 347.503 2.400 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(C)CCC(=O)N2)CC1 ZINC000453424193 467488272 /nfs/dbraw/zinc/48/82/72/467488272.db2.gz NMIRGBDGVMPWEI-JXFKEZNVSA-N 2 0 329.488 2.340 10 0 EEAERP CN(CC(C)(C)CN1CCOCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431830016 467540632 /nfs/dbraw/zinc/54/06/32/467540632.db2.gz HCFSBGQDUFEMIS-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1n[nH]c(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000449232832 467624597 /nfs/dbraw/zinc/62/45/97/467624597.db2.gz WIBGBFJGUXONLK-OAHLLOKOSA-N 2 0 327.476 2.341 10 0 EEAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000529320155 467845590 /nfs/dbraw/zinc/84/55/90/467845590.db2.gz KTGQLLJFALZWDI-SQNIBIBYSA-N 2 0 330.476 2.071 10 0 EEAERP C[C@@H]1C[C@H](Nc2cncc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000519013751 468135697 /nfs/dbraw/zinc/13/56/97/468135697.db2.gz BRYQGRMCIUNVPA-QKPAOTATSA-N 2 0 332.496 2.266 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000569558412 468509908 /nfs/dbraw/zinc/50/99/08/468509908.db2.gz GFWZAWPDGJYSQE-CRAIPNDOSA-N 2 0 330.476 2.080 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(C)c2OC)CC[NH2+]CC1 ZINC000594585145 468627903 /nfs/dbraw/zinc/62/79/03/468627903.db2.gz OHVAOWUXKYDSCO-OAHLLOKOSA-N 2 0 334.460 2.415 10 0 EEAERP COC(=O)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000600754428 468649632 /nfs/dbraw/zinc/64/96/32/468649632.db2.gz FKYCDDBNRZSPRF-GOSISDBHSA-N 2 0 332.444 2.064 10 0 EEAERP C[C@@]1(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000570697317 468679730 /nfs/dbraw/zinc/67/97/30/468679730.db2.gz HXYRUNOHBSILLQ-QUCCMNQESA-N 2 0 344.503 2.340 10 0 EEAERP C[C@H](CSCCF)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000595003125 468742293 /nfs/dbraw/zinc/74/22/93/468742293.db2.gz DTOVEVGOTPRBCS-QGZVFWFLSA-N 2 0 339.524 2.485 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000561052917 468860288 /nfs/dbraw/zinc/86/02/88/468860288.db2.gz IQFGREPBKKWMAV-AWEZNQCLSA-N 2 0 332.423 2.173 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000561128780 468865029 /nfs/dbraw/zinc/86/50/29/468865029.db2.gz ODJWKCGXJZRCHG-RDJZCZTQSA-N 2 0 336.505 2.136 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573134523 469068171 /nfs/dbraw/zinc/06/81/71/469068171.db2.gz MCZVSVOJNITFLN-PKOBYXMFSA-N 2 0 329.488 2.499 10 0 EEAERP CCOC(=O)C1CCC(O)(C[NH+]2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000602966537 469197243 /nfs/dbraw/zinc/19/72/43/469197243.db2.gz ITFDVSWWNBWFMZ-UHFFFAOYSA-N 2 0 340.508 2.277 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615621541 469286067 /nfs/dbraw/zinc/28/60/67/469286067.db2.gz YIZUCSSGBQRJEG-HXUWFJFHSA-N 2 0 345.487 2.185 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000629392888 469529882 /nfs/dbraw/zinc/52/98/82/469529882.db2.gz VTTNERMBAPQQBS-HNNXBMFYSA-N 2 0 327.266 2.132 10 0 EEAERP [NH3+]C1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCOCC1 ZINC000629389484 469530163 /nfs/dbraw/zinc/53/01/63/469530163.db2.gz YNUKOAWBQVYQFX-UHFFFAOYSA-N 2 0 325.403 2.031 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000629453887 469548599 /nfs/dbraw/zinc/54/85/99/469548599.db2.gz KTJAVYNQDZLBKO-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000629530335 469573193 /nfs/dbraw/zinc/57/31/93/469573193.db2.gz CWEJVKUJBWICOF-DLBZAZTESA-N 2 0 326.868 2.256 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000629537508 469574898 /nfs/dbraw/zinc/57/48/98/469574898.db2.gz JRLLWIUGSONVRB-CYBMUJFWSA-N 2 0 327.266 2.261 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CC[NH+]1C1CCCCC1 ZINC000629602389 469589789 /nfs/dbraw/zinc/58/97/89/469589789.db2.gz DSHZAQVWYCJFQE-RTWAWAEBSA-N 2 0 345.531 2.476 10 0 EEAERP COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1OC1CC1 ZINC000623355085 469632720 /nfs/dbraw/zinc/63/27/20/469632720.db2.gz YLYCJTLBEZRDGX-UHFFFAOYSA-N 2 0 347.503 2.352 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000623493822 469674031 /nfs/dbraw/zinc/67/40/31/469674031.db2.gz SRYQIMYOICTGBN-JQHSSLGASA-N 2 0 330.476 2.215 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1(C)C ZINC000623638057 469717834 /nfs/dbraw/zinc/71/78/34/469717834.db2.gz SOXQKQUJEJZFOS-CQSZACIVSA-N 2 0 334.451 2.406 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921358 469754845 /nfs/dbraw/zinc/75/48/45/469754845.db2.gz XXSARPNVTSQYAO-BZUAXINKSA-N 2 0 334.464 2.246 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CC(C)C ZINC000626929746 469758893 /nfs/dbraw/zinc/75/88/93/469758893.db2.gz QWBMXTOAVFDMND-YTQUADARSA-N 2 0 338.540 2.384 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626939445 469762795 /nfs/dbraw/zinc/76/27/95/469762795.db2.gz DLKGDJUPUODLTC-KBAYOESNSA-N 2 0 330.476 2.091 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[NH+](C)C)cc1 ZINC000626953571 469767708 /nfs/dbraw/zinc/76/77/08/469767708.db2.gz WTMRDEFZAYFTEF-YSIASYRMSA-N 2 0 344.503 2.239 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000627039474 469798920 /nfs/dbraw/zinc/79/89/20/469798920.db2.gz XVORMNZPAYGLNM-LAVFITLUSA-N 2 0 330.476 2.089 10 0 EEAERP C[NH2+]CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627072459 469806026 /nfs/dbraw/zinc/80/60/26/469806026.db2.gz ZISBRARSUZCFKR-ZDUSSCGKSA-N 2 0 333.263 2.115 10 0 EEAERP C[C@H](C[NH3+])CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627081779 469809030 /nfs/dbraw/zinc/80/90/30/469809030.db2.gz TXEGRYAAQARRMQ-QMTHXVAHSA-N 2 0 347.290 2.490 10 0 EEAERP CCN(C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617923424 469837722 /nfs/dbraw/zinc/83/77/22/469837722.db2.gz CEQBIWGWDSSHHA-MOPGFXCFSA-N 2 0 329.488 2.451 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000624133373 469850646 /nfs/dbraw/zinc/85/06/46/469850646.db2.gz MULZIGAAPWLCLS-LTFXXXRZSA-N 2 0 327.472 2.283 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C1 ZINC000631646938 470175973 /nfs/dbraw/zinc/17/59/73/470175973.db2.gz PHUWRPNGYPAHGD-HAGHYFMRSA-N 2 0 342.483 2.300 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000638915317 470326078 /nfs/dbraw/zinc/32/60/78/470326078.db2.gz JALLXNVTWBAUPR-HNNXBMFYSA-N 2 0 339.443 2.133 10 0 EEAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000646185792 470558830 /nfs/dbraw/zinc/55/88/30/470558830.db2.gz JBPYBFVCNURGEB-LPHOPBHVSA-N 2 0 344.503 2.376 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000635438407 470586978 /nfs/dbraw/zinc/58/69/78/470586978.db2.gz CUYGYJGUXJUNCR-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP FC1(F)C[C@]12CC[NH+](CCOCC[N@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907695 470739471 /nfs/dbraw/zinc/73/94/71/470739471.db2.gz YCHWSGFQHPKGCO-KBPBESRZSA-N 2 0 336.373 2.465 10 0 EEAERP C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000646927401 470779792 /nfs/dbraw/zinc/77/97/92/470779792.db2.gz JYDDWULSJOHVPE-RBUKOAKNSA-N 2 0 341.499 2.451 10 0 EEAERP CN1CCO[C@@H]([C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000650745175 470957469 /nfs/dbraw/zinc/95/74/69/470957469.db2.gz BCLZHPLQRUYHIQ-IAGOWNOFSA-N 2 0 337.895 2.430 10 0 EEAERP Cc1ccc(O)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000657613037 471185964 /nfs/dbraw/zinc/18/59/64/471185964.db2.gz UYKDCRHBTSYEBH-UHFFFAOYSA-N 2 0 326.444 2.492 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652234587 471260241 /nfs/dbraw/zinc/26/02/41/471260241.db2.gz BOGASUCHCFSDMU-HNNXBMFYSA-N 2 0 338.883 2.371 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000658108216 471266565 /nfs/dbraw/zinc/26/65/65/471266565.db2.gz PXLJGVWMQQFGHF-KSZLIROESA-N 2 0 335.540 2.308 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000652291734 471268359 /nfs/dbraw/zinc/26/83/59/471268359.db2.gz GDGBNRUVDAATMW-OALUTQOASA-N 2 0 344.503 2.470 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000652291736 471268361 /nfs/dbraw/zinc/26/83/61/471268361.db2.gz GDGBNRUVDAATMW-RTBURBONSA-N 2 0 344.503 2.470 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOCCOc2ccccc2)C1 ZINC000652361328 471279129 /nfs/dbraw/zinc/27/91/29/471279129.db2.gz DDNCDLDTEJMOOG-HOJAQTOUSA-N 2 0 348.487 2.443 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344927 471291085 /nfs/dbraw/zinc/29/10/85/471291085.db2.gz SOZZCTRWIAFHMN-TYPHKJRUSA-N 2 0 344.547 2.123 10 0 EEAERP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000663495965 471400243 /nfs/dbraw/zinc/40/02/43/471400243.db2.gz BIVBUEJKNIGBAF-HOCLYGCPSA-N 2 0 346.475 2.163 10 0 EEAERP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CS1 ZINC000655709234 471451305 /nfs/dbraw/zinc/45/13/05/471451305.db2.gz ZRXUSENBUIXJAZ-RHSMWYFYSA-N 2 0 335.517 2.352 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659029386 471474067 /nfs/dbraw/zinc/47/40/67/471474067.db2.gz BPKHNBVACJVPQL-KURKYZTESA-N 2 0 344.459 2.096 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659031882 471475137 /nfs/dbraw/zinc/47/51/37/471475137.db2.gz PAORITVIMWISDY-SFHVURJKSA-N 2 0 346.475 2.296 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659037301 471479675 /nfs/dbraw/zinc/47/96/75/471479675.db2.gz WNDCWBVWOBYAJX-FHLIZLRMSA-N 2 0 346.475 2.294 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000655785664 471481856 /nfs/dbraw/zinc/48/18/56/471481856.db2.gz MUZBZTGNRGPQHX-HAGHYFMRSA-N 2 0 332.488 2.274 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041529 471484338 /nfs/dbraw/zinc/48/43/38/471484338.db2.gz JEMVBDBIYAVTCZ-MSOLQXFVSA-N 2 0 346.475 2.296 10 0 EEAERP C[N@H+](CCCCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659045091 471486837 /nfs/dbraw/zinc/48/68/37/471486837.db2.gz UMZRRURBGWCGGG-SFHVURJKSA-N 2 0 346.475 2.343 10 0 EEAERP C[C@H]1C[C@H]1c1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)o1 ZINC000663736748 471497353 /nfs/dbraw/zinc/49/73/53/471497353.db2.gz YQTWVKXICXPZRK-GOEBONIOSA-N 2 0 336.480 2.086 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653118287 471497531 /nfs/dbraw/zinc/49/75/31/471497531.db2.gz HROAATXENJOVBW-ROUUACIJSA-N 2 0 331.460 2.486 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000653214078 471538630 /nfs/dbraw/zinc/53/86/30/471538630.db2.gz FZVJPWJLAUNRBQ-UHFFFAOYSA-N 2 0 341.455 2.276 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000667113794 471659167 /nfs/dbraw/zinc/65/91/67/471659167.db2.gz VKRKUVYRVOUHKW-AWEZNQCLSA-N 2 0 344.434 2.244 10 0 EEAERP CCN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000667325306 471735636 /nfs/dbraw/zinc/73/56/36/471735636.db2.gz WCKJNHVFGIYROG-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP Cc1cccc(NC[C@@]2(CO)COCCN2Cc2ccccc2)n1 ZINC000664533436 471783829 /nfs/dbraw/zinc/78/38/29/471783829.db2.gz AVOIBPZZXYKLNI-LJQANCHMSA-N 2 0 327.428 2.065 10 0 EEAERP CCN(C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000664672871 471830346 /nfs/dbraw/zinc/83/03/46/471830346.db2.gz FCLSNGADXRBGRR-BHIYHBOVSA-N 2 0 344.503 2.243 10 0 EEAERP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661627251 471831629 /nfs/dbraw/zinc/83/16/29/471831629.db2.gz PSJLHALEZPKJCT-YTGMWSOZSA-N 2 0 326.525 2.054 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000654356754 471925793 /nfs/dbraw/zinc/92/57/93/471925793.db2.gz OSZBIAOKKRXCEA-KDURUIRLSA-N 2 0 344.503 2.422 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000665288920 471991410 /nfs/dbraw/zinc/99/14/10/471991410.db2.gz AWROYEHUMMGHFV-RDJZCZTQSA-N 2 0 327.488 2.485 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668163982 472034744 /nfs/dbraw/zinc/03/47/44/472034744.db2.gz LKBICIQXDKAQEE-UHFFFAOYSA-N 2 0 325.416 2.424 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000662386498 472094067 /nfs/dbraw/zinc/09/40/67/472094067.db2.gz BCMFBXBZRFVYJF-APWZRJJASA-N 2 0 347.503 2.430 10 0 EEAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668477 472195053 /nfs/dbraw/zinc/19/50/53/472195053.db2.gz NEVKVFDYGDDNBO-ASKNOMKYSA-N 2 0 349.519 2.042 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662683609 472205977 /nfs/dbraw/zinc/20/59/77/472205977.db2.gz QQMXQUQHMJCCGX-OKILXGFUSA-N 2 0 336.480 2.356 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)ccc1F ZINC000662732483 472227248 /nfs/dbraw/zinc/22/72/48/472227248.db2.gz WQMGNTDZSDILOJ-OAHLLOKOSA-N 2 0 347.356 2.046 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000662737575 472228964 /nfs/dbraw/zinc/22/89/64/472228964.db2.gz OOCGOTKQOBHSMQ-HNNXBMFYSA-N 2 0 342.443 2.263 10 0 EEAERP C[NH+](C)CCN(C(=O)c1cc(C2CC[NH2+]CC2)no1)C1CCCC1 ZINC000662786432 472250024 /nfs/dbraw/zinc/25/00/24/472250024.db2.gz TZNRJCXFAPBGAM-UHFFFAOYSA-N 2 0 334.464 2.088 10 0 EEAERP CCC[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC[N@@H+]1CCOC ZINC000662825266 472268010 /nfs/dbraw/zinc/26/80/10/472268010.db2.gz GYNLMSIIASDBHZ-IEBWSBKVSA-N 2 0 345.487 2.180 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169121 472333654 /nfs/dbraw/zinc/33/36/54/472333654.db2.gz RSOVBGSKDOQKBF-GOEBONIOSA-N 2 0 338.455 2.078 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000673771708 485527713 /nfs/dbraw/zinc/52/77/13/485527713.db2.gz LWMIMILLVWZPEB-IEBWSBKVSA-N 2 0 344.503 2.387 10 0 EEAERP CC[NH+]1CCC(N[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000679045161 485573332 /nfs/dbraw/zinc/57/33/32/485573332.db2.gz SXIVDGJKWADZBX-HXUWFJFHSA-N 2 0 331.504 2.087 10 0 EEAERP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000684378065 485864658 /nfs/dbraw/zinc/86/46/58/485864658.db2.gz WWUINXWJTJUJRP-QZTJIDSGSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672754343 486186738 /nfs/dbraw/zinc/18/67/38/486186738.db2.gz FBTDQUJHQKRFHK-KBAYOESNSA-N 2 0 330.476 2.043 10 0 EEAERP CC(=O)c1ccccc1OCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171631329 527402272 /nfs/dbraw/zinc/40/22/72/527402272.db2.gz CHMMUCTVHDKNQJ-INIZCTEOSA-N 2 0 348.487 2.293 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000119803731 535117734 /nfs/dbraw/zinc/11/77/34/535117734.db2.gz LLOBQBCCXLBXLF-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C(=O)NCC[NH+](C)C ZINC000777288809 577476147 /nfs/dbraw/zinc/47/61/47/577476147.db2.gz XMIDJDLIYOCHNF-HIFRSBDPSA-N 2 0 340.899 2.478 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000758263202 577620421 /nfs/dbraw/zinc/62/04/21/577620421.db2.gz UJTXQJVOFAXGOZ-IAGOWNOFSA-N 2 0 348.560 2.484 10 0 EEAERP Cc1cnc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC000926745284 681692279 /nfs/dbraw/zinc/69/22/79/681692279.db2.gz NHEILQGWDNVMHY-UHFFFAOYSA-N 2 0 349.523 2.113 10 0 EEAERP CSC1(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000894793755 683101799 /nfs/dbraw/zinc/10/17/99/683101799.db2.gz HPWXLCFFNOIBOX-UHFFFAOYSA-N 2 0 343.537 2.270 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)(N2CCCCC2)CC1 ZINC000925512326 683884573 /nfs/dbraw/zinc/88/45/73/683884573.db2.gz BCOLARPWFDYVDM-ZWKOTPCHSA-N 3 0 336.568 2.432 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)c2C1 ZINC000897097240 686127237 /nfs/dbraw/zinc/12/72/37/686127237.db2.gz GPESJKLRYMZKLH-QGZVFWFLSA-N 2 0 343.471 2.317 10 0 EEAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccnn1CC1CCC1 ZINC000924635284 692975725 /nfs/dbraw/zinc/97/57/25/692975725.db2.gz ZMIJZGDHSJJZEX-MRXNPFEDSA-N 2 0 333.524 2.360 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cnccc2C)CC[N@@H+]1C ZINC001485723216 1191910385 /nfs/dbraw/zinc/91/03/85/1191910385.db2.gz ZBYRLBBMYGCHSV-NZSAHSFTSA-N 2 0 346.519 2.495 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@@H]1CC1(Cl)Cl ZINC001480880429 1176695002 /nfs/dbraw/zinc/69/50/02/1176695002.db2.gz ZVXBMSDDBJAXHJ-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266515308 1176710042 /nfs/dbraw/zinc/71/00/42/1176710042.db2.gz UDJVNWVQYRGCNP-RBUKOAKNSA-N 2 0 329.488 2.212 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001266725626 1177310107 /nfs/dbraw/zinc/31/01/07/1177310107.db2.gz NQCBQZAZFUWSKJ-GASCZTMLSA-N 2 0 344.459 2.297 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744887 1177337523 /nfs/dbraw/zinc/33/75/23/1177337523.db2.gz WLBBZNWYYSUKAW-IBGZPJMESA-N 2 0 331.504 2.324 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001266769555 1177388489 /nfs/dbraw/zinc/38/84/89/1177388489.db2.gz BZMYPZVBOQDQAP-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001266793211 1177436771 /nfs/dbraw/zinc/43/67/71/1177436771.db2.gz JBFXBAQFRYSNEH-PKOBYXMFSA-N 2 0 347.503 2.234 10 0 EEAERP CN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266797482 1177448290 /nfs/dbraw/zinc/44/82/90/1177448290.db2.gz BAFDZBKVDPGULL-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCC1CCOCC1 ZINC001266994370 1178052348 /nfs/dbraw/zinc/05/23/48/1178052348.db2.gz MHBMYAMJNHVZAP-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1conc1C)[NH+](C)C ZINC001267169761 1178390967 /nfs/dbraw/zinc/39/09/67/1178390967.db2.gz WQEKTEXSCZWVQF-IAGOWNOFSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267191590 1178465762 /nfs/dbraw/zinc/46/57/62/1178465762.db2.gz WMDCWMSRQZIYPV-OAHLLOKOSA-N 2 0 325.472 2.191 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001691478672 1178955851 /nfs/dbraw/zinc/95/58/51/1178955851.db2.gz MHHPXNXSZLDBSS-IZAXUBKRSA-N 2 0 347.478 2.339 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1cnccc1C ZINC001481012086 1179491623 /nfs/dbraw/zinc/49/16/23/1179491623.db2.gz UJDDOQZCIXBHBV-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCOC(C)C)C1 ZINC001481052159 1179633727 /nfs/dbraw/zinc/63/37/27/1179633727.db2.gz KKQWXXKXLGCJSF-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C1CC1)C1CCC1 ZINC001267856117 1180640487 /nfs/dbraw/zinc/64/04/87/1180640487.db2.gz KBXCOOHYQIKLCF-HNNXBMFYSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481347374 1181082228 /nfs/dbraw/zinc/08/22/28/1181082228.db2.gz JMPQTDAVHHQYGJ-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2F)C1 ZINC001481495539 1181567444 /nfs/dbraw/zinc/56/74/44/1181567444.db2.gz BUIDXIDOIORYIX-AWEZNQCLSA-N 2 0 339.430 2.197 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481499146 1181571042 /nfs/dbraw/zinc/57/10/42/1181571042.db2.gz UWHHJNXCVRNNEU-HZPDHXFCSA-N 2 0 329.504 2.493 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268080253 1181691035 /nfs/dbraw/zinc/69/10/35/1181691035.db2.gz WEEIUGUKFAFJIO-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268083090 1181697140 /nfs/dbraw/zinc/69/71/40/1181697140.db2.gz ARTCJHZFGCAFJM-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268094664 1181733850 /nfs/dbraw/zinc/73/38/50/1181733850.db2.gz POSBEMKFOWFZGJ-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2CCC(C(F)(F)F)CC2)C1 ZINC001481642102 1182018322 /nfs/dbraw/zinc/01/83/22/1182018322.db2.gz AOEVOJXISLLPFK-UHFFFAOYSA-N 2 0 349.441 2.355 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001268393835 1182459005 /nfs/dbraw/zinc/45/90/05/1182459005.db2.gz KEUYOHFYCUNZML-HIFRSBDPSA-N 2 0 338.521 2.174 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001268413413 1182562289 /nfs/dbraw/zinc/56/22/89/1182562289.db2.gz FPKYRUHGFDLPNK-CYBMUJFWSA-N 2 0 335.517 2.445 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccn(C)n1 ZINC001481825102 1182753999 /nfs/dbraw/zinc/75/39/99/1182753999.db2.gz CAIHNXAITYPTQT-OAHLLOKOSA-N 2 0 349.523 2.058 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1c(C)noc1C ZINC001481844470 1182786446 /nfs/dbraw/zinc/78/64/46/1182786446.db2.gz OGWMCTZIDPQVDY-RCBQFDQVSA-N 2 0 336.480 2.006 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001481847619 1182791966 /nfs/dbraw/zinc/79/19/66/1182791966.db2.gz GMHKGAIDQXLMFL-TZMCWYRMSA-N 2 0 327.419 2.462 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCO[C@@H](C)C1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268468525 1182806583 /nfs/dbraw/zinc/80/65/83/1182806583.db2.gz DHLBFSOZLADJDE-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001481907537 1182925026 /nfs/dbraw/zinc/92/50/26/1182925026.db2.gz BEZSDJJHWCVSOG-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]Cc1cncc(F)c1)C1CC1)C1CCC1 ZINC001481932473 1182972116 /nfs/dbraw/zinc/97/21/16/1182972116.db2.gz RBGCQFAWDQEQHO-IBGZPJMESA-N 2 0 348.466 2.080 10 0 EEAERP C[C@](C[NH2+]C[C@@H]1CCC(F)(F)C1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950136 1183018540 /nfs/dbraw/zinc/01/85/40/1183018540.db2.gz GSLMKJWAGAVDHU-RHSMWYFYSA-N 2 0 343.462 2.392 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1)C1CCC1 ZINC001482016717 1183135318 /nfs/dbraw/zinc/13/53/18/1183135318.db2.gz NJBCZXOZTQIWBU-QAQDUYKDSA-N 2 0 348.466 2.222 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001268542513 1183213329 /nfs/dbraw/zinc/21/33/29/1183213329.db2.gz QVCKKJJNKGKXJM-PYTPGESOSA-N 2 0 330.476 2.025 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCc1ccccc1 ZINC001482101369 1183333445 /nfs/dbraw/zinc/33/34/45/1183333445.db2.gz MJDMRPQFZCXCOU-IEBWSBKVSA-N 2 0 331.504 2.444 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001268579162 1183347543 /nfs/dbraw/zinc/34/75/43/1183347543.db2.gz OWVKOXXWPVFNOH-UEKDZROGSA-N 2 0 344.503 2.451 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1c(F)cccc1F ZINC001482136539 1183448736 /nfs/dbraw/zinc/44/87/36/1183448736.db2.gz MPMHLYRNHGTUHX-ZDUSSCGKSA-N 2 0 339.430 2.149 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001268607948 1183515592 /nfs/dbraw/zinc/51/55/92/1183515592.db2.gz KOCCNLIJKSGVCW-WOMSROEHSA-N 2 0 343.462 2.416 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C\CNCc2cscn2)c1 ZINC001268629651 1183554386 /nfs/dbraw/zinc/55/43/86/1183554386.db2.gz YHXVIKHJAVDZIK-ARJAWSKDSA-N 2 0 344.484 2.281 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268688782 1183613458 /nfs/dbraw/zinc/61/34/58/1183613458.db2.gz LVVFJFSBOQPXRW-ROUUACIJSA-N 2 0 347.503 2.341 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1F)C(=O)CCn1ccnc1 ZINC001268812341 1183731453 /nfs/dbraw/zinc/73/14/53/1183731453.db2.gz MJALYKUNYRALPJ-UHFFFAOYSA-N 2 0 336.386 2.190 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001268848327 1183764147 /nfs/dbraw/zinc/76/41/47/1183764147.db2.gz XZKZDIDRDKVLEQ-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCCO1 ZINC001268992704 1183882853 /nfs/dbraw/zinc/88/28/53/1183882853.db2.gz BPOVYKSLHKNALM-GBESFXJTSA-N 2 0 349.519 2.107 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001269345136 1184195809 /nfs/dbraw/zinc/19/58/09/1184195809.db2.gz KGBCPHBLQLARCN-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001269468637 1184289707 /nfs/dbraw/zinc/28/97/07/1184289707.db2.gz LPYMGTNDYQGFHH-QGZVFWFLSA-N 2 0 345.487 2.015 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)no1 ZINC001269765814 1184603134 /nfs/dbraw/zinc/60/31/34/1184603134.db2.gz LLISLZNAZBHYSG-NVXWUHKLSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)no1 ZINC001269982268 1184760112 /nfs/dbraw/zinc/76/01/12/1184760112.db2.gz VFQCTICRBMXGFL-GOEBONIOSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001270024926 1184795658 /nfs/dbraw/zinc/79/56/58/1184795658.db2.gz PLXSQIXGNYXARB-ULQDDVLXSA-N 2 0 341.540 2.142 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001270114172 1184859581 /nfs/dbraw/zinc/85/95/81/1184859581.db2.gz XPBSLZMPJSHTHF-RBUKOAKNSA-N 2 0 347.478 2.433 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001270184844 1184904705 /nfs/dbraw/zinc/90/47/05/1184904705.db2.gz UOWCBYJNJLHQMF-SJORKVTESA-N 2 0 335.517 2.356 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001270266463 1184973111 /nfs/dbraw/zinc/97/31/11/1184973111.db2.gz HDHZVNAAJLIUFF-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001270293532 1184993907 /nfs/dbraw/zinc/99/39/07/1184993907.db2.gz VBGLDMZYELKLIN-QGZVFWFLSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001270737606 1185357759 /nfs/dbraw/zinc/35/77/59/1185357759.db2.gz PZLUWKTUSLPCNX-LALPHHSUSA-N 2 0 344.381 2.294 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001270743578 1185358482 /nfs/dbraw/zinc/35/84/82/1185358482.db2.gz AKNXFKNVLAHDNR-QUCCMNQESA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001270805205 1185404022 /nfs/dbraw/zinc/40/40/22/1185404022.db2.gz IJROAOPEBFFBAN-FUHWJXTLSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482368177 1185528724 /nfs/dbraw/zinc/52/87/24/1185528724.db2.gz NWWOGLMVZVKELE-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271725908 1186400995 /nfs/dbraw/zinc/40/09/95/1186400995.db2.gz CBIXWIYYZJACPQ-DZGCQCFKSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1nccs1 ZINC001482498847 1186405841 /nfs/dbraw/zinc/40/58/41/1186405841.db2.gz BMHHTMRQXDZESQ-HUUCEWRRSA-N 2 0 338.521 2.200 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccccn1)[NH+]1CCCCC1 ZINC001483011804 1187994034 /nfs/dbraw/zinc/99/40/34/1187994034.db2.gz RDHCHBBNUYQGJE-VOTSOKGWSA-N 2 0 330.476 2.108 10 0 EEAERP COCc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001483046309 1188257608 /nfs/dbraw/zinc/25/76/08/1188257608.db2.gz DMPMIALFZARBSO-PXPVJAHISA-N 2 0 345.487 2.079 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001483060551 1188354838 /nfs/dbraw/zinc/35/48/38/1188354838.db2.gz MIGPJXWNEPCNAQ-SLXDBMQSSA-N 2 0 333.451 2.415 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cccc(Cl)c1F ZINC001483091920 1188459507 /nfs/dbraw/zinc/45/95/07/1188459507.db2.gz BKGLGIBPJHSWAV-UPHRSURJSA-N 2 0 339.842 2.337 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1 ZINC001272838338 1193571760 /nfs/dbraw/zinc/57/17/60/1193571760.db2.gz VZJDBKVLCIVGEE-ZLKJLUDKSA-N 2 0 347.488 2.271 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001272882337 1193591608 /nfs/dbraw/zinc/59/16/08/1193591608.db2.gz QZILVSUXIIJULV-LBPRGKRZSA-N 2 0 341.415 2.237 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001409414258 1189645375 /nfs/dbraw/zinc/64/53/75/1189645375.db2.gz RXQVGSMODMSJHW-CABCVRRESA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc2c1CCOC2)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001409427319 1189661552 /nfs/dbraw/zinc/66/15/52/1189661552.db2.gz XCSNCMNONVLBOU-CVEARBPZSA-N 2 0 347.503 2.084 10 0 EEAERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001409439111 1189680274 /nfs/dbraw/zinc/68/02/74/1189680274.db2.gz GDBPNWGOLTXJAM-CVEARBPZSA-N 2 0 341.540 2.216 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ccnc1 ZINC001409468978 1189754670 /nfs/dbraw/zinc/75/46/70/1189754670.db2.gz MVKMUMZYEXSYKT-CABCVRRESA-N 2 0 343.475 2.393 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483351909 1190387258 /nfs/dbraw/zinc/38/72/58/1190387258.db2.gz JJINTBHSQRUTIN-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483379181 1190422968 /nfs/dbraw/zinc/42/29/68/1190422968.db2.gz SDDSCMILFDCABW-ZIAGYGMSSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)s1 ZINC001483444831 1190482603 /nfs/dbraw/zinc/48/26/03/1190482603.db2.gz XJIHMCNUOUTWTB-GOEBONIOSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483587252 1190573469 /nfs/dbraw/zinc/57/34/69/1190573469.db2.gz BOSANRBBBIOMCU-KSSFIOAISA-N 2 0 333.451 2.152 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC001483605660 1190583947 /nfs/dbraw/zinc/58/39/47/1190583947.db2.gz PQPSKFMRCXCDMR-MOPGFXCFSA-N 2 0 345.462 2.393 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001486139111 1193693304 /nfs/dbraw/zinc/69/33/04/1193693304.db2.gz ZBQDNWZVUZLTAX-PKOBYXMFSA-N 2 0 344.503 2.427 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CC1)CC2 ZINC001486143434 1193695725 /nfs/dbraw/zinc/69/57/25/1193695725.db2.gz BVYAAPGHWGYCBC-BQFCYCMXSA-N 2 0 325.472 2.190 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)c1C ZINC001483692989 1190767567 /nfs/dbraw/zinc/76/75/67/1190767567.db2.gz AHBRULGKMKAHRG-WMZOPIPTSA-N 2 0 345.487 2.036 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]Cc2nccs2)C1)C12CCC[NH+]1CCC2 ZINC001272486654 1190847557 /nfs/dbraw/zinc/84/75/57/1190847557.db2.gz SVWNZMOVHDTOIP-HNNXBMFYSA-N 2 0 348.516 2.100 10 0 EEAERP CC(C)(C(=O)NCC1([NH2+]CCOc2ccccc2)CC1)[NH+]1CCCC1 ZINC001483757074 1190981710 /nfs/dbraw/zinc/98/17/10/1190981710.db2.gz QAGJIYUZAFTYNH-UHFFFAOYSA-N 2 0 345.487 2.178 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001493720390 1191059051 /nfs/dbraw/zinc/05/90/51/1191059051.db2.gz LQFPOXJVJFTDGP-SJLPKXTDSA-N 2 0 347.507 2.157 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483849071 1191085512 /nfs/dbraw/zinc/08/55/12/1191085512.db2.gz XWWPZOHLCYHJQT-SJLPKXTDSA-N 2 0 325.472 2.002 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)sn1 ZINC001483918353 1191116178 /nfs/dbraw/zinc/11/61/78/1191116178.db2.gz XXAQKQHPLHMYDD-CABCVRRESA-N 2 0 338.521 2.261 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917862 1191116282 /nfs/dbraw/zinc/11/62/82/1191116282.db2.gz YYXVXLDCLIKTII-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C2CCCC2)o1 ZINC001484006734 1191150265 /nfs/dbraw/zinc/15/02/65/1191150265.db2.gz LOIOPFVPZHHWCR-KRWDZBQOSA-N 2 0 348.491 2.089 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCOC)C1 ZINC001484173557 1191252223 /nfs/dbraw/zinc/25/22/23/1191252223.db2.gz GABPYAKNQDVNJB-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484196014 1191268375 /nfs/dbraw/zinc/26/83/75/1191268375.db2.gz OZGLXXVPJGJXJF-GJZGRUSLSA-N 2 0 331.451 2.058 10 0 EEAERP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484344890 1191312493 /nfs/dbraw/zinc/31/24/93/1191312493.db2.gz PWXNZRNBDOOEGH-SJORKVTESA-N 2 0 349.519 2.011 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001484376763 1191320958 /nfs/dbraw/zinc/32/09/58/1191320958.db2.gz KFWBPZMMCKWEGW-HOCLYGCPSA-N 2 0 337.895 2.476 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC)[NH+](C)C ZINC001484388625 1191328707 /nfs/dbraw/zinc/32/87/07/1191328707.db2.gz FJVLPVIWRIGYIR-ZOFXXKQRSA-N 2 0 327.488 2.434 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001484407520 1191334061 /nfs/dbraw/zinc/33/40/61/1191334061.db2.gz CKSYDPYZZMUIEE-GEWVGOBGSA-N 2 0 331.504 2.361 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001484543626 1191403189 /nfs/dbraw/zinc/40/31/89/1191403189.db2.gz OCQQEXPVUBNHQW-BGGTUALNSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484536609 1191404160 /nfs/dbraw/zinc/40/41/60/1191404160.db2.gz ACTVAUCHNMKENO-YJBOKZPZSA-N 2 0 345.478 2.387 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001484726770 1191486509 /nfs/dbraw/zinc/48/65/09/1191486509.db2.gz RFXCMGUIVIZIGF-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H]1CCCOC1 ZINC001485077220 1191645684 /nfs/dbraw/zinc/64/56/84/1191645684.db2.gz NWQKMEYCIGQBMU-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1nocc1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485109852 1191657337 /nfs/dbraw/zinc/65/73/37/1191657337.db2.gz KSXOFTGMGQFGDI-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1nocc1C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485110382 1191657476 /nfs/dbraw/zinc/65/74/76/1191657476.db2.gz HIPWVZHAOAPQQG-VMWRSERWSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485156357 1191668484 /nfs/dbraw/zinc/66/84/84/1191668484.db2.gz GPURTGXYYCPZQY-QWHCGFSZSA-N 2 0 339.430 2.432 10 0 EEAERP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001485450801 1191789406 /nfs/dbraw/zinc/78/94/06/1191789406.db2.gz MXFVWXYLXBTFJG-OWCLPIDISA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001486160117 1193706160 /nfs/dbraw/zinc/70/61/60/1193706160.db2.gz GGANXGNAJHGXLN-PJYQYBKYSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486389055 1193908132 /nfs/dbraw/zinc/90/81/32/1193908132.db2.gz IEGZIZYCZXQTRB-DLBZAZTESA-N 2 0 332.492 2.105 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2cnccn2)CC1)[NH+](C)C ZINC001486446802 1193961282 /nfs/dbraw/zinc/96/12/82/1193961282.db2.gz AGOFTXZBHYNMCM-HDMKZQKVSA-N 2 0 347.507 2.095 10 0 EEAERP C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001691844139 1194300302 /nfs/dbraw/zinc/30/03/02/1194300302.db2.gz ANVPKYADXVQGIC-ZACQAIPSSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)COC1CC[NH+](C)CC1 ZINC001273097640 1194382038 /nfs/dbraw/zinc/38/20/38/1194382038.db2.gz FCOUYVXYYKRDJB-OAHLLOKOSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1c(F)cccc1F)[NH+](C)C ZINC001273123608 1194407262 /nfs/dbraw/zinc/40/72/62/1194407262.db2.gz XRZMKECJFGFEJS-LRDDRELGSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@@]12CN(C(=O)CC[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702054625 1195711753 /nfs/dbraw/zinc/71/17/53/1195711753.db2.gz YFWHQGRJFFCDRV-SLYNCCJLSA-N 2 0 341.499 2.357 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC001410256047 1197639427 /nfs/dbraw/zinc/63/94/27/1197639427.db2.gz XPHLQSGBUZADPT-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155131 1198061789 /nfs/dbraw/zinc/06/17/89/1198061789.db2.gz DITPJCNDFHOFGF-SFHVURJKSA-N 2 0 346.519 2.175 10 0 EEAERP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156137 1198061969 /nfs/dbraw/zinc/06/19/69/1198061969.db2.gz FFLVUXKKVZWQHY-WMLDXEAASA-N 2 0 346.475 2.383 10 0 EEAERP [NH3+][C@H](C[C@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)C1CCCC1 ZINC000872158262 1198064418 /nfs/dbraw/zinc/06/44/18/1198064418.db2.gz UMIZQLDGFURFKI-RSPOEFSDSA-N 2 0 335.536 2.469 10 0 EEAERP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000872216069 1198091822 /nfs/dbraw/zinc/09/18/22/1198091822.db2.gz NJGLBJAORZNVFR-RBUKOAKNSA-N 2 0 346.515 2.400 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@@]2(NC(=O)CCCn3ccnc3)CCC[C@H]12)OC ZINC001410893357 1198547780 /nfs/dbraw/zinc/54/77/80/1198547780.db2.gz FFQRVKHUIWPPIG-AOIWGVFYSA-N 2 0 348.491 2.202 10 0 EEAERP CC[NH2+][C@@H](CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1 ZINC001410917209 1198580553 /nfs/dbraw/zinc/58/05/53/1198580553.db2.gz DDEMTWDEVONYLV-SFHVURJKSA-N 2 0 329.488 2.342 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)c1 ZINC001410984289 1198660973 /nfs/dbraw/zinc/66/09/73/1198660973.db2.gz MELDDIAKCMGMDR-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC001410998193 1198674592 /nfs/dbraw/zinc/67/45/92/1198674592.db2.gz APOAUPUGHQVKIE-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001411002006 1198678421 /nfs/dbraw/zinc/67/84/21/1198678421.db2.gz CSHPMOKCCWYVKC-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001273426957 1198804668 /nfs/dbraw/zinc/80/46/68/1198804668.db2.gz DBTRMVWHYFQVCC-KRWDZBQOSA-N 2 0 332.492 2.203 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810182505 1199337019 /nfs/dbraw/zinc/33/70/19/1199337019.db2.gz VCKGLRCXIYDCCV-XLIONFOSSA-N 2 0 349.494 2.488 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@H]1C[NH+](C)C ZINC000870020405 1200410681 /nfs/dbraw/zinc/41/06/81/1200410681.db2.gz AQAFHMQNKMRYAC-IAGOWNOFSA-N 2 0 340.471 2.046 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cc3ccccc3o2)C[C@H]1C[NH+](C)C ZINC000870022872 1200413078 /nfs/dbraw/zinc/41/30/78/1200413078.db2.gz BKLFDGCTJWNWQE-IAGOWNOFSA-N 2 0 343.471 2.173 10 0 EEAERP C[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023134 1200413101 /nfs/dbraw/zinc/41/31/01/1200413101.db2.gz MSOKEBHQUPDXKB-KBAYOESNSA-N 2 0 349.494 2.202 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870909242 1200945245 /nfs/dbraw/zinc/94/52/45/1200945245.db2.gz BOZPBWMMDLPSES-SHPPYHEDSA-N 2 0 342.487 2.255 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000866519953 1201538969 /nfs/dbraw/zinc/53/89/69/1201538969.db2.gz YQEZJPLNNXCDIY-QGPMSJSTSA-N 2 0 336.501 2.311 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@H]2CCC[C@H]21 ZINC000866579009 1201552754 /nfs/dbraw/zinc/55/27/54/1201552754.db2.gz XEPIUKAJKRSRMK-CEXWTWQISA-N 2 0 342.487 2.174 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000866661403 1201573034 /nfs/dbraw/zinc/57/30/34/1201573034.db2.gz QGDYPQHYLAULQS-DSYUCELVSA-N 2 0 344.455 2.466 10 0 EEAERP Cc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(OCC[NH+](C)C)c1 ZINC000868126054 1201748643 /nfs/dbraw/zinc/74/86/43/1201748643.db2.gz PFVWNXJAHIVYKL-DOTOQJQBSA-N 2 0 346.475 2.294 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCOC(C)C)CC1(C)C)[NH+](C)C ZINC001274436895 1205035731 /nfs/dbraw/zinc/03/57/31/1205035731.db2.gz QYUQUWMODUEQRK-IAGOWNOFSA-N 2 0 341.540 2.358 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274480909 1205052970 /nfs/dbraw/zinc/05/29/70/1205052970.db2.gz CFRKLAGAIFZRFG-SNAWJCMRSA-N 2 0 344.503 2.272 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275107989 1205257923 /nfs/dbraw/zinc/25/79/23/1205257923.db2.gz HDICOCAAEIYESI-FGTMMUONSA-N 2 0 339.524 2.065 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001275803997 1205541025 /nfs/dbraw/zinc/54/10/25/1205541025.db2.gz CUQYTXJEBLSPPT-SJORKVTESA-N 2 0 327.488 2.343 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001276271414 1205863146 /nfs/dbraw/zinc/86/31/46/1205863146.db2.gz GOAFRARNQSVUDY-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000924660542 1206013062 /nfs/dbraw/zinc/01/30/62/1206013062.db2.gz QFUMXSHNQRZUDO-NNQSOWQGSA-N 2 0 329.366 2.453 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925321571 1206096400 /nfs/dbraw/zinc/09/64/00/1206096400.db2.gz NDTBZPKOUZJSEZ-CRAIPNDOSA-N 2 0 332.492 2.372 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)(C)CO ZINC000925438007 1206111774 /nfs/dbraw/zinc/11/17/74/1206111774.db2.gz IIRPCYGSQKDZPW-MRXNPFEDSA-N 2 0 347.503 2.009 10 0 EEAERP O=C(NCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1F ZINC000925497484 1206119725 /nfs/dbraw/zinc/11/97/25/1206119725.db2.gz ZWZAQRDFXUWBAS-SJLPKXTDSA-N 2 0 333.451 2.313 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508273 1206120753 /nfs/dbraw/zinc/12/07/53/1206120753.db2.gz PTRIKEAJFWTNLC-CFVMTHIKSA-N 2 0 339.505 2.151 10 0 EEAERP O=C(c1ccccc1)N1CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925507556 1206120786 /nfs/dbraw/zinc/12/07/86/1206120786.db2.gz AKILHGOKCYOBFS-SFHVURJKSA-N 2 0 327.472 2.413 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)(N2CCCCC2)CC1 ZINC000925517201 1206121923 /nfs/dbraw/zinc/12/19/23/1206121923.db2.gz ZINBELYHUFLLGM-QYZOEREBSA-N 3 0 348.579 2.303 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CC2)C2CCOCC2)ccn1 ZINC000925653727 1206140414 /nfs/dbraw/zinc/14/04/14/1206140414.db2.gz NKNDKGUJXPHOBZ-LJQANCHMSA-N 2 0 333.476 2.317 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000925832603 1206158390 /nfs/dbraw/zinc/15/83/90/1206158390.db2.gz CIJSOMYLBSBFCW-IEBWSBKVSA-N 2 0 331.504 2.255 10 0 EEAERP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851522 1206160851 /nfs/dbraw/zinc/16/08/51/1206160851.db2.gz FYFDXFGXPUVEIG-CHWSQXEVSA-N 2 0 335.473 2.104 10 0 EEAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925880332 1206163509 /nfs/dbraw/zinc/16/35/09/1206163509.db2.gz JNEIGHUAULPFOR-VNTMZGSJSA-N 2 0 330.472 2.437 10 0 EEAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925903921 1206166021 /nfs/dbraw/zinc/16/60/21/1206166021.db2.gz NMLVGEHJURYNQI-GOSISDBHSA-N 2 0 347.507 2.246 10 0 EEAERP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)CCC3(O)CCC3)C2)CC1 ZINC000929422219 1206473323 /nfs/dbraw/zinc/47/33/23/1206473323.db2.gz QVKZZVJCVACFKE-MOPGFXCFSA-N 2 0 338.536 2.486 10 0 EEAERP CCN1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)OC1=O ZINC000690619531 1206554015 /nfs/dbraw/zinc/55/40/15/1206554015.db2.gz BVLPAYMOEOSIEH-SZMVWBNQSA-N 2 0 331.460 2.327 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)COC1CC[NH+](C)CC1 ZINC000930495584 1206562500 /nfs/dbraw/zinc/56/25/00/1206562500.db2.gz FFFXDVABFLJKSI-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC[C@H](O)c3ccccc3)C2)C1 ZINC000930575979 1206567899 /nfs/dbraw/zinc/56/78/99/1206567899.db2.gz GFDRMVUOJKRAEO-AABGKKOBSA-N 2 0 332.488 2.279 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC[C@@H](O)c1ccccc1)C2 ZINC000930602749 1206569886 /nfs/dbraw/zinc/56/98/86/1206569886.db2.gz ZIYBIORJRLGPNI-VAMGGRTRSA-N 2 0 332.488 2.279 10 0 EEAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000718009626 1211700886 /nfs/dbraw/zinc/70/08/86/1211700886.db2.gz ATRNKNGTWXDZSA-KRWDZBQOSA-N 2 0 342.487 2.488 10 0 EEAERP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[C@@H]1CCOC1 ZINC001413048397 1217953547 /nfs/dbraw/zinc/95/35/47/1217953547.db2.gz AGWWKIJEZBEMCN-NCYKPQTJSA-N 2 0 344.499 2.492 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900300011 1234178728 /nfs/dbraw/zinc/17/87/28/1234178728.db2.gz NSYCOKGPEIPWKI-IPMKNSEASA-N 2 0 329.488 2.292 10 0 EEAERP CN1CC[C@@](O)(C[NH2+][C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954411 1239183377 /nfs/dbraw/zinc/18/33/77/1239183377.db2.gz VPXOGRBCZXKVFT-VQTJNVASSA-N 2 0 325.456 2.412 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCSC2)[C@@H](C)C1 ZINC000903310362 1240227559 /nfs/dbraw/zinc/22/75/59/1240227559.db2.gz KYEMZFAUIOBZOF-ULQDDVLXSA-N 2 0 330.538 2.235 10 0 EEAERP COC(=O)c1ccc(N2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)[C@H](C)C2)cc1 ZINC000903455525 1240518548 /nfs/dbraw/zinc/51/85/48/1240518548.db2.gz YRZNAVALBONACF-INMHGKMJSA-N 2 0 331.460 2.111 10 0 EEAERP CC(C)[NH+]1CCN(CCCOC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000803854372 1242086330 /nfs/dbraw/zinc/08/63/30/1242086330.db2.gz PCYVIOIUHYSRRV-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cnn1C ZINC000903904385 1242417171 /nfs/dbraw/zinc/41/71/71/1242417171.db2.gz TYXNWQRHWHWOGQ-HNAYVOBHSA-N 2 0 328.460 2.389 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H](C)COc2cccc(C)c2)cnn1C ZINC000903921605 1242508583 /nfs/dbraw/zinc/50/85/83/1242508583.db2.gz QMGFKSDERSLOSX-NVXWUHKLSA-N 2 0 330.476 2.211 10 0 EEAERP CC(C)(CO)[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903927410 1242528861 /nfs/dbraw/zinc/52/88/61/1242528861.db2.gz RLCNGTOAELZLDE-FUHWJXTLSA-N 2 0 343.475 2.052 10 0 EEAERP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967102 1242776305 /nfs/dbraw/zinc/77/63/05/1242776305.db2.gz GXTKYDXRBXHMKS-YPMHNXCESA-N 2 0 332.400 2.173 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001490897315 1253870994 /nfs/dbraw/zinc/87/09/94/1253870994.db2.gz GYOGUHYKHMRTQN-SHTZXODSSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001491081030 1258647814 /nfs/dbraw/zinc/64/78/14/1258647814.db2.gz VUDSWEYWRDPYOB-GASCZTMLSA-N 2 0 336.505 2.064 10 0 EEAERP CCN(CC[NH2+]Cc1cnn(C)c1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001273476167 1278574552 /nfs/dbraw/zinc/57/45/52/1278574552.db2.gz CSWTXZOFMKUVGX-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001489219917 1290458878 /nfs/dbraw/zinc/45/88/78/1290458878.db2.gz SVDFNRWLUAMVAL-SFHVURJKSA-N 2 0 345.503 2.014 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001489219913 1290459233 /nfs/dbraw/zinc/45/92/33/1290459233.db2.gz SVDFNRWLUAMVAL-GOSISDBHSA-N 2 0 345.503 2.014 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)CC[C@H]2CCCO2)ccc2c[nH+]cn21 ZINC001490216601 1291089142 /nfs/dbraw/zinc/08/91/42/1291089142.db2.gz SKGYJVLGYKUUNQ-QGZVFWFLSA-N 2 0 344.459 2.264 10 0 EEAERP CCc1ccccc1C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490270609 1291093957 /nfs/dbraw/zinc/09/39/57/1291093957.db2.gz UDGPDJLBTYICAR-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC[N@H+](C)CC)n1 ZINC001490301699 1291135436 /nfs/dbraw/zinc/13/54/36/1291135436.db2.gz DPRAWGPOVHBRJG-FUHWJXTLSA-N 2 0 349.523 2.104 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](C[C@@H](F)CC)CC2 ZINC001490606858 1291518049 /nfs/dbraw/zinc/51/80/49/1291518049.db2.gz VOPYOBVQNWKYRF-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1F ZINC001490708620 1291592143 /nfs/dbraw/zinc/59/21/43/1291592143.db2.gz CWXGPIFRRFHJTO-AUUYWEPGSA-N 2 0 347.478 2.460 10 0 EEAERP CN1CCC([NH+]2CCC(CC[N@H+](C)CCOC(F)F)CC2)CC1 ZINC000851801968 1291845231 /nfs/dbraw/zinc/84/52/31/1291845231.db2.gz AOGUYBNFDZVDGU-UHFFFAOYSA-N 2 0 333.467 2.354 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855899164 1293361031 /nfs/dbraw/zinc/36/10/31/1293361031.db2.gz HEEWVKOWJZNWNJ-MAUKXSAKSA-N 2 0 327.488 2.436 10 0 EEAERP CCCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC ZINC001276762465 1297521538 /nfs/dbraw/zinc/52/15/38/1297521538.db2.gz QRILYNLVBUXUKC-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001277149091 1301515625 /nfs/dbraw/zinc/51/56/25/1301515625.db2.gz ZDHHDHLIWJFABR-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)oc1C ZINC001277208841 1301827125 /nfs/dbraw/zinc/82/71/25/1301827125.db2.gz AKYBUVFIDFEDNP-CYBMUJFWSA-N 2 0 336.480 2.150 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001277718779 1304256385 /nfs/dbraw/zinc/25/63/85/1304256385.db2.gz XHJAELDMYADXOQ-TZMCWYRMSA-N 2 0 335.414 2.107 10 0 EEAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCCCF ZINC001277940277 1305207326 /nfs/dbraw/zinc/20/73/26/1305207326.db2.gz GXFNMTXHXVZFEA-BZUAXINKSA-N 2 0 336.455 2.244 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001278018247 1305697954 /nfs/dbraw/zinc/69/79/54/1305697954.db2.gz ZCFKNOSASITQHL-RDJZCZTQSA-N 2 0 335.467 2.147 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@H]1C ZINC001278308973 1309256503 /nfs/dbraw/zinc/25/65/03/1309256503.db2.gz SWVSNLTYYMQRFR-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCOCC)[C@@H]2CC)C1 ZINC001264061043 1322603454 /nfs/dbraw/zinc/60/34/54/1322603454.db2.gz WBSDFXICUREOER-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264625555 1322753073 /nfs/dbraw/zinc/75/30/73/1322753073.db2.gz IAHANEUFRUFFCW-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001265435722 1323153733 /nfs/dbraw/zinc/15/37/33/1323153733.db2.gz QWWGBQDGDHDIIV-ROUUACIJSA-N 2 0 345.487 2.130 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265498859 1323184718 /nfs/dbraw/zinc/18/47/18/1323184718.db2.gz KFOBWBORSJWKOH-QAETUUGQSA-N 2 0 325.472 2.380 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCOC)CC[C@H]21 ZINC001265526169 1323205296 /nfs/dbraw/zinc/20/52/96/1323205296.db2.gz UDQUIUPWTVMYAH-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCCOC ZINC001265697662 1323330374 /nfs/dbraw/zinc/33/03/74/1323330374.db2.gz VOXNOJDTTXTVLW-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]21 ZINC001265725739 1323351973 /nfs/dbraw/zinc/35/19/73/1323351973.db2.gz DYVJJOIHDSEQSM-XDSKUXDFSA-N 2 0 341.499 2.478 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C/c2ccccc2)C1 ZINC001265923668 1323489749 /nfs/dbraw/zinc/48/97/49/1323489749.db2.gz URSAXYJLVJMWNC-OPUMOTSWSA-N 2 0 329.488 2.480 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001266120410 1323692257 /nfs/dbraw/zinc/69/22/57/1323692257.db2.gz YMLNGMQRVORNOZ-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2=CC[NH+](CCCF)CC2)C1 ZINC001279636888 1323966680 /nfs/dbraw/zinc/96/66/80/1323966680.db2.gz PNBLGLGSIIXQNP-SFHVURJKSA-N 2 0 343.462 2.307 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001280263781 1324134612 /nfs/dbraw/zinc/13/46/12/1324134612.db2.gz MDJQVZPZJJLRKB-ZWKOTPCHSA-N 2 0 344.503 2.060 10 0 EEAERP COCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001281098083 1324760553 /nfs/dbraw/zinc/76/05/53/1324760553.db2.gz AZNYCFWJDMATJM-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001281476401 1325148098 /nfs/dbraw/zinc/14/80/98/1325148098.db2.gz SDJNEHVSAPTYHY-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF)C1CCC1 ZINC001281905067 1325505110 /nfs/dbraw/zinc/50/51/10/1325505110.db2.gz FFDUUQXXLHUGSY-IEBWSBKVSA-N 2 0 333.451 2.202 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001282168343 1325640209 /nfs/dbraw/zinc/64/02/09/1325640209.db2.gz QVHHTYCIZMUOFI-IAGOWNOFSA-N 2 0 347.503 2.423 10 0 EEAERP COCCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001282619721 1325753317 /nfs/dbraw/zinc/75/33/17/1325753317.db2.gz ZCRJKTORIZMPPI-KRWDZBQOSA-N 2 0 339.524 2.306 10 0 EEAERP Cc1ccccc1OCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001284750437 1326694930 /nfs/dbraw/zinc/69/49/30/1326694930.db2.gz BDRMCWVMNSPZRM-ABHNRTSZSA-N 2 0 345.487 2.047 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCc1nc(C)sc1C ZINC001491684617 1330204974 /nfs/dbraw/zinc/20/49/74/1330204974.db2.gz WTWIPTZGVJQOQF-BLLLJJGKSA-N 2 0 338.521 2.229 10 0 EEAERP COCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491816232 1330262091 /nfs/dbraw/zinc/26/20/91/1330262091.db2.gz KSVHHSQSXARRKX-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001491843623 1330271454 /nfs/dbraw/zinc/27/14/54/1330271454.db2.gz ULBQMOZWNUETTJ-AWEZNQCLSA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001491845244 1330272092 /nfs/dbraw/zinc/27/20/92/1330272092.db2.gz ISUXDHPBPFMLME-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001491850665 1330273969 /nfs/dbraw/zinc/27/39/69/1330273969.db2.gz WHESCIMVHGWILJ-QGZVFWFLSA-N 2 0 342.487 2.448 10 0 EEAERP CCCCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491943872 1330334961 /nfs/dbraw/zinc/33/49/61/1330334961.db2.gz TYFWIPAGYRFXAL-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001491951540 1330342705 /nfs/dbraw/zinc/34/27/05/1330342705.db2.gz IXOIDXASPQIVPQ-CRAIPNDOSA-N 2 0 345.478 2.481 10 0 EEAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCc1ccccc1 ZINC001492078191 1330985333 /nfs/dbraw/zinc/98/53/33/1330985333.db2.gz PJLZPXCQJRZPMP-QGZVFWFLSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2CC[NH+](C)CC2)no1 ZINC001492165415 1331030690 /nfs/dbraw/zinc/03/06/90/1331030690.db2.gz UMQRHRXEYNWELY-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1cncs1 ZINC001316834711 1331376471 /nfs/dbraw/zinc/37/64/71/1331376471.db2.gz JWOWEDHMXFSJAF-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001316850188 1331445319 /nfs/dbraw/zinc/44/53/19/1331445319.db2.gz ARYMZGOAMIIIGU-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCCNC(=O)Cn1ccnc1 ZINC001316868753 1331796259 /nfs/dbraw/zinc/79/62/59/1331796259.db2.gz LCSZFLMCACVUJU-CYBMUJFWSA-N 2 0 336.386 2.361 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001316752888 1331872706 /nfs/dbraw/zinc/87/27/06/1331872706.db2.gz XSKCZJNQCMCMOL-CEXWTWQISA-N 2 0 333.520 2.299 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001316770970 1331883911 /nfs/dbraw/zinc/88/39/11/1331883911.db2.gz IZAPQIYPEXJEKY-IAGOWNOFSA-N 2 0 327.513 2.114 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001316802218 1331900200 /nfs/dbraw/zinc/90/02/00/1331900200.db2.gz IFTKLXDSOFTCII-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](c1nc2ccccc2o1)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316843895 1331929426 /nfs/dbraw/zinc/92/94/26/1331929426.db2.gz VLGYFPAYJOYQEV-GDBMZVCRSA-N 2 0 344.459 2.421 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)C[NH+]2CC[C@@H](C)C2)cc1C ZINC001316851073 1331934881 /nfs/dbraw/zinc/93/48/81/1331934881.db2.gz PFKVUOAFFCGNFF-MRXNPFEDSA-N 2 0 347.503 2.284 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001317121441 1332087055 /nfs/dbraw/zinc/08/70/55/1332087055.db2.gz LZNQWWQMFZGVAB-JZXOWHBKSA-N 2 0 337.508 2.055 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001317164635 1332107376 /nfs/dbraw/zinc/10/73/76/1332107376.db2.gz ZFORKFLSRVPATO-IRXDYDNUSA-N 2 0 347.507 2.098 10 0 EEAERP C[N@H+](CC(=O)NC1CCC([NH2+]CCOC2CCC2)CC1)C1CCC1 ZINC001317217045 1332140614 /nfs/dbraw/zinc/14/06/14/1332140614.db2.gz MUANMOHCUTXPHW-UHFFFAOYSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317242165 1332149443 /nfs/dbraw/zinc/14/94/43/1332149443.db2.gz PTRFWMJNWMEQAU-KZNAEPCWSA-N 2 0 347.503 2.117 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317262322 1332157385 /nfs/dbraw/zinc/15/73/85/1332157385.db2.gz WWCVKYDWTYJALV-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001317287428 1332165604 /nfs/dbraw/zinc/16/56/04/1332165604.db2.gz BSSSZJROOIJLTB-OAHLLOKOSA-N 2 0 337.895 2.463 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001317340609 1332186120 /nfs/dbraw/zinc/18/61/20/1332186120.db2.gz MVVVDOOIMTWPQR-QGZVFWFLSA-N 2 0 349.544 2.461 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1cncc(F)c1 ZINC001317425900 1332229607 /nfs/dbraw/zinc/22/96/07/1332229607.db2.gz DFYVPVNVUGIIRI-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC001317627311 1332335472 /nfs/dbraw/zinc/33/54/72/1332335472.db2.gz FLJREGDTOSPCCS-SFHVURJKSA-N 2 0 328.460 2.123 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317656197 1332352551 /nfs/dbraw/zinc/35/25/51/1332352551.db2.gz WIIKVIAASNRTDE-OAHLLOKOSA-N 2 0 329.444 2.323 10 0 EEAERP COCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001317673581 1332364185 /nfs/dbraw/zinc/36/41/85/1332364185.db2.gz YMUNUFMUQCJGEY-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001318446525 1332537887 /nfs/dbraw/zinc/53/78/87/1332537887.db2.gz RTLAKCJFRCSNIF-LJQANCHMSA-N 2 0 331.504 2.494 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001319470942 1332707312 /nfs/dbraw/zinc/70/73/12/1332707312.db2.gz AECSVVFEUVOKFE-ZDUSSCGKSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1oncc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001319714863 1332748890 /nfs/dbraw/zinc/74/88/90/1332748890.db2.gz PRODCJURZYACLB-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)s1 ZINC001320445759 1332885476 /nfs/dbraw/zinc/88/54/76/1332885476.db2.gz JLPXLPLQCRHOTF-LBPRGKRZSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)nc1 ZINC001320564231 1332911571 /nfs/dbraw/zinc/91/15/71/1332911571.db2.gz QZSDJERVQDSBRM-DLBZAZTESA-N 2 0 347.507 2.032 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001321335510 1333076996 /nfs/dbraw/zinc/07/69/96/1333076996.db2.gz HKXUGJQMHFSMNP-XPQDNOAISA-N 2 0 345.487 2.360 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321418715 1333099626 /nfs/dbraw/zinc/09/96/26/1333099626.db2.gz HXBWDHDHFYHMRT-IWAYRVGRSA-N 2 0 348.491 2.182 10 0 EEAERP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001322569386 1333285344 /nfs/dbraw/zinc/28/53/44/1333285344.db2.gz KEHOGDRTCQGKGI-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cnccn1 ZINC001322590691 1333289130 /nfs/dbraw/zinc/28/91/30/1333289130.db2.gz HGPPXINMCPQDKE-WMZOPIPTSA-N 2 0 347.507 2.096 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2conc2C)C1 ZINC001322656709 1333301958 /nfs/dbraw/zinc/30/19/58/1333301958.db2.gz ASJCOSLGJPBQGV-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCC1CCOCC1 ZINC001322845810 1333339953 /nfs/dbraw/zinc/33/99/53/1333339953.db2.gz XIMAXKQYJCHUTQ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCc2ccccc2)C2CC2)CC1 ZINC001323068786 1333379823 /nfs/dbraw/zinc/37/98/23/1333379823.db2.gz WYTNZFUBGMLULR-LJQANCHMSA-N 2 0 329.488 2.055 10 0 EEAERP Cc1c(C(=O)NCC2([NH2+]CCOC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001323479383 1333472486 /nfs/dbraw/zinc/47/24/86/1333472486.db2.gz HTPKDBMBCDNKNU-UHFFFAOYSA-N 2 0 342.443 2.064 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(CCCCc2ccccc2)C1 ZINC001323898542 1333569101 /nfs/dbraw/zinc/56/91/01/1333569101.db2.gz QQMDFFXMRBOJIM-LJQANCHMSA-N 2 0 329.488 2.246 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCO1)CC(C)(C)C ZINC001324226072 1333638917 /nfs/dbraw/zinc/63/89/17/1333638917.db2.gz OHJOSURJIYGDDF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCOCC1)[NH+](C)C ZINC001324261280 1333644652 /nfs/dbraw/zinc/64/46/52/1333644652.db2.gz OYBBONFCWNLZBN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001324993373 1333804214 /nfs/dbraw/zinc/80/42/14/1333804214.db2.gz SSSABUHYYMSECQ-FUTAKVPZSA-N 2 0 337.508 2.082 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001325557062 1333910866 /nfs/dbraw/zinc/91/08/66/1333910866.db2.gz XGGUTVZGFJSWPK-WBVHZDCISA-N 2 0 349.544 2.317 10 0 EEAERP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001325760001 1333955327 /nfs/dbraw/zinc/95/53/27/1333955327.db2.gz CLWICBFZZFRMBI-QHHIFSJYSA-N 2 0 333.520 2.465 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001326223268 1334047129 /nfs/dbraw/zinc/04/71/29/1334047129.db2.gz HHLDRBARRYVHCI-OALUTQOASA-N 2 0 329.488 2.417 10 0 EEAERP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326980506 1334196131 /nfs/dbraw/zinc/19/61/31/1334196131.db2.gz UVZIEPONMXSDCE-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(N1CCO[C@H](C[NH2+]CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001327006495 1334202232 /nfs/dbraw/zinc/20/22/32/1334202232.db2.gz YUKRUENDKAAUDO-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001327048592 1334211251 /nfs/dbraw/zinc/21/12/51/1334211251.db2.gz LMGKRXXENSZJQA-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCC1([NH2+]CCCOC)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001327454996 1334295464 /nfs/dbraw/zinc/29/54/64/1334295464.db2.gz GTJHRDIZENCYGN-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001329154204 1334596632 /nfs/dbraw/zinc/59/66/32/1334596632.db2.gz XEYDENQZOXAQDR-HZPDHXFCSA-N 2 0 339.524 2.159 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001330953078 1334934133 /nfs/dbraw/zinc/93/41/33/1334934133.db2.gz BTAJDKDBDUKKSS-XJKSGUPXSA-N 2 0 336.480 2.008 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001332185797 1335757720 /nfs/dbraw/zinc/75/77/20/1335757720.db2.gz QREHAUSTABEZCR-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP COCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332279665 1335789569 /nfs/dbraw/zinc/78/95/69/1335789569.db2.gz IMMZIRXBPVGWGQ-CVEARBPZSA-N 2 0 344.459 2.167 10 0 EEAERP CC(C)c1cccc(C[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001333391680 1336030934 /nfs/dbraw/zinc/03/09/34/1336030934.db2.gz RFVONKJAWCQTMD-UHFFFAOYSA-N 2 0 344.503 2.405 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC001333432757 1336045420 /nfs/dbraw/zinc/04/54/20/1336045420.db2.gz CPAGAQKVZNWUAV-SFHVURJKSA-N 2 0 345.462 2.416 10 0 EEAERP CC(C)OCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001666195685 1355482163 /nfs/dbraw/zinc/48/21/63/1355482163.db2.gz XRIWCTUIVGNTBI-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCC[C@@H]1O ZINC001434469921 1341851499 /nfs/dbraw/zinc/85/14/99/1341851499.db2.gz RMUKWXJQMKKOTC-RTWAWAEBSA-N 2 0 345.531 2.287 10 0 EEAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668652283 1355980360 /nfs/dbraw/zinc/98/03/60/1355980360.db2.gz KLJLTSAQXGYBGS-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001436321356 1342025595 /nfs/dbraw/zinc/02/55/95/1342025595.db2.gz KUAOLIAJBOWYAM-VQIMIIECSA-N 2 0 329.488 2.370 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001436349138 1342044818 /nfs/dbraw/zinc/04/48/18/1342044818.db2.gz BSWUGKNSZVMOFS-LXTVHRRPSA-N 2 0 347.425 2.440 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001436370797 1342056984 /nfs/dbraw/zinc/05/69/84/1342056984.db2.gz ZOAPHANALWCBPY-KDYLLFBJSA-N 2 0 339.430 2.289 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500347564 1342175960 /nfs/dbraw/zinc/17/59/60/1342175960.db2.gz IKWGZDXCSRKCBK-HLIPFELVSA-N 2 0 344.503 2.058 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001502143931 1342194105 /nfs/dbraw/zinc/19/41/05/1342194105.db2.gz YHYZBFZVKNOUHJ-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001673993842 1356768307 /nfs/dbraw/zinc/76/83/07/1356768307.db2.gz PCPBTIVYRVXFOJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CCCOC)CC2)C1 ZINC001566612010 1342579678 /nfs/dbraw/zinc/57/96/78/1342579678.db2.gz XDKZRPGKCIXMRJ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566762498 1342626725 /nfs/dbraw/zinc/62/67/25/1342626725.db2.gz YBIYLONJYCQHQP-ROUUACIJSA-N 2 0 345.487 2.049 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001566901906 1342648553 /nfs/dbraw/zinc/64/85/53/1342648553.db2.gz KLFJFHLDJYGBIS-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001567172114 1342704261 /nfs/dbraw/zinc/70/42/61/1342704261.db2.gz GDFGYVOWSFKBHW-ZWKOTPCHSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCF)c1ccn(-c2cc[nH+]cc2)n1 ZINC001567257770 1342724025 /nfs/dbraw/zinc/72/40/25/1342724025.db2.gz OSKOBPQGAVRMCD-OAHLLOKOSA-N 2 0 345.422 2.211 10 0 EEAERP CN(CCNCc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567605126 1342792288 /nfs/dbraw/zinc/79/22/88/1342792288.db2.gz UKBLONMCKWSSIN-GFCCVEGCSA-N 2 0 344.286 2.493 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001569578324 1342900686 /nfs/dbraw/zinc/90/06/86/1342900686.db2.gz JFQHPTLKLNHFAT-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccncc2Cl)C1 ZINC001569999691 1342994302 /nfs/dbraw/zinc/99/43/02/1342994302.db2.gz DMWVRAQJWFPAET-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001570039265 1343002856 /nfs/dbraw/zinc/00/28/56/1343002856.db2.gz JEMIHOYKRGSKMU-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP CC/C=C\CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001570976456 1343144844 /nfs/dbraw/zinc/14/48/44/1343144844.db2.gz CBOZVLAGDGZKSJ-TZNMXKOXSA-N 2 0 337.508 2.033 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001571324092 1343181508 /nfs/dbraw/zinc/18/15/08/1343181508.db2.gz YLCKYOBIIFHGRN-PXNSSMCTSA-N 2 0 344.503 2.250 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571464591 1343213786 /nfs/dbraw/zinc/21/37/86/1343213786.db2.gz OHMFFVIWTHTPKN-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001571506055 1343222014 /nfs/dbraw/zinc/22/20/14/1343222014.db2.gz ZLZJGBIIVUOCQP-PKOBYXMFSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001676318817 1357134847 /nfs/dbraw/zinc/13/48/47/1357134847.db2.gz UGINCCSLLDUFMP-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP CCCCC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC001676998452 1357258986 /nfs/dbraw/zinc/25/89/86/1357258986.db2.gz IPSGICFEBYRMDU-KRWDZBQOSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677263701 1357304425 /nfs/dbraw/zinc/30/44/25/1357304425.db2.gz XMFXGUHZBYLNNE-HUUCEWRRSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001677272431 1357305465 /nfs/dbraw/zinc/30/54/65/1357305465.db2.gz RBTGYXUZIICVAV-HZPDHXFCSA-N 2 0 341.540 2.142 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001650055725 1353703518 /nfs/dbraw/zinc/70/35/18/1353703518.db2.gz MIPGCBXZFAJDLF-UHFFFAOYSA-N 2 0 347.503 2.255 10 0 EEAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCCCCn2cccn2)CC1 ZINC001655067235 1354164325 /nfs/dbraw/zinc/16/43/25/1354164325.db2.gz XKACKQQPHKGJCJ-UHFFFAOYSA-N 2 0 334.508 2.366 10 0 EEAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001656862960 1354286775 /nfs/dbraw/zinc/28/67/75/1354286775.db2.gz DIESZVSANSMNOK-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP c1cc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001658105374 1354354092 /nfs/dbraw/zinc/35/40/92/1354354092.db2.gz SSYSPZCFPLRXRP-GOSISDBHSA-N 2 0 345.410 2.307 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCc1cccs1 ZINC001660529074 1354482365 /nfs/dbraw/zinc/48/23/65/1354482365.db2.gz LXXZWRBKAURCCI-GOSISDBHSA-N 2 0 349.544 2.461 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001660822104 1354544467 /nfs/dbraw/zinc/54/44/67/1354544467.db2.gz CZBNXHRVXKNPIV-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCCOC)CC[N@@H+]1C ZINC001661921631 1354723202 /nfs/dbraw/zinc/72/32/02/1354723202.db2.gz GNKYRJDQVPBDHC-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCC2CCOCC2)CC[N@@H+]1C ZINC001662224583 1354765622 /nfs/dbraw/zinc/76/56/22/1354765622.db2.gz GCCPYAKJPQMNHB-BPQIPLTHSA-N 2 0 339.524 2.018 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001662675848 1354824645 /nfs/dbraw/zinc/82/46/45/1354824645.db2.gz TXXPOLAYEVBGPY-DOTOQJQBSA-N 2 0 325.472 2.191 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662785860 1354846907 /nfs/dbraw/zinc/84/69/07/1354846907.db2.gz RWRKEVXMKCODJL-MSOLQXFVSA-N 2 0 333.476 2.025 10 0 EEAERP Cc1ccnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001662791015 1354848049 /nfs/dbraw/zinc/84/80/49/1354848049.db2.gz MNOSTYINBBHJNB-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001666140033 1355464494 /nfs/dbraw/zinc/46/44/94/1355464494.db2.gz OSEODGILIGXRCC-KRWDZBQOSA-N 2 0 347.503 2.365 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cncs2)CC1)[NH+](C)C ZINC001666244709 1355493883 /nfs/dbraw/zinc/49/38/83/1355493883.db2.gz GQBAMMOXQATGJF-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001666333013 1355510489 /nfs/dbraw/zinc/51/04/89/1355510489.db2.gz APIPEYCUMLFCCB-IIDMSEBBSA-N 2 0 335.467 2.481 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CCCCCF ZINC001667189109 1355669051 /nfs/dbraw/zinc/66/90/51/1355669051.db2.gz JADPJPVDRUIZFJ-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccon1)C1CCC1 ZINC001667262446 1355691395 /nfs/dbraw/zinc/69/13/95/1355691395.db2.gz LEAWKOVILFODKX-KRWDZBQOSA-N 2 0 334.464 2.020 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001668106396 1355872300 /nfs/dbraw/zinc/87/23/00/1355872300.db2.gz OXFCQJTVZMAUCC-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001668319154 1355922508 /nfs/dbraw/zinc/92/25/08/1355922508.db2.gz DVJHTYUTZLNLTM-CYBMUJFWSA-N 2 0 326.872 2.060 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001668324755 1355923432 /nfs/dbraw/zinc/92/34/32/1355923432.db2.gz DPGYSHKVBHRSPE-APWZRJJASA-N 2 0 347.503 2.038 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC001668827599 1356014567 /nfs/dbraw/zinc/01/45/67/1356014567.db2.gz JBFKEPGWYNHODX-LIMHQNJXSA-N 2 0 347.890 2.444 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834193 1356016768 /nfs/dbraw/zinc/01/67/68/1356016768.db2.gz SQJXVEGSSGMCJI-CGCIEXPJSA-N 2 0 345.487 2.358 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCC(F)(F)F)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668882864 1356034201 /nfs/dbraw/zinc/03/42/01/1356034201.db2.gz KXRHXGZPDLRWAQ-FGXVQYDJSA-N 2 0 333.398 2.218 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001669139331 1356104531 /nfs/dbraw/zinc/10/45/31/1356104531.db2.gz NFNPBGHWUWSRCA-JSDWAPGTSA-N 2 0 344.503 2.272 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669292217 1356141295 /nfs/dbraw/zinc/14/12/95/1356141295.db2.gz AIOCATRDBJMQFJ-AZTIMDOBSA-N 2 0 327.472 2.136 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001669400014 1356154693 /nfs/dbraw/zinc/15/46/93/1356154693.db2.gz XTYRFCJAGSUEIO-HZPDHXFCSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001670095451 1356274863 /nfs/dbraw/zinc/27/48/63/1356274863.db2.gz LGMVXCOIPBUPJX-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001671737391 1356405281 /nfs/dbraw/zinc/40/52/81/1356405281.db2.gz ZBBPTYKFQNVJPX-FUHWJXTLSA-N 2 0 333.480 2.028 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001672815005 1356590202 /nfs/dbraw/zinc/59/02/02/1356590202.db2.gz CNTAXOZMQOCCDJ-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)CC[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001674562700 1356858406 /nfs/dbraw/zinc/85/84/06/1356858406.db2.gz MLZOATGPGDKNTF-UHFFFAOYSA-N 2 0 341.459 2.411 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC1CC(C[NH2+]CCc2ccccc2F)C1 ZINC001674605031 1356863248 /nfs/dbraw/zinc/86/32/48/1356863248.db2.gz ZUCNHCCVLLFVSY-UHFFFAOYSA-N 2 0 344.434 2.127 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698860365 1405116763 /nfs/dbraw/zinc/11/67/63/1405116763.db2.gz NABCROOUVGIIIE-WBVHZDCISA-N 2 0 335.467 2.147 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001699758680 1405469448 /nfs/dbraw/zinc/46/94/48/1405469448.db2.gz MSUMMPSILRRSIW-SNMSSPIJSA-N 2 0 349.906 2.494 10 0 EEAERP C[C@H](C[C@H]1CCOC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000689850709 761013327 /nfs/dbraw/zinc/01/33/27/761013327.db2.gz KCFXTPDIACMLHO-IEBWSBKVSA-N 2 0 332.488 2.418 10 0 EEAERP CC(C)Oc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+](C)C)cc1 ZINC000908213428 785239181 /nfs/dbraw/zinc/23/91/81/785239181.db2.gz WPYFBCMYLGPYCK-GOSISDBHSA-N 2 0 345.487 2.289 10 0 EEAERP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000819015383 785382735 /nfs/dbraw/zinc/38/27/35/785382735.db2.gz GIWJKJUUGMTRBW-XLIONFOSSA-N 2 0 343.446 2.408 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000819174855 785447677 /nfs/dbraw/zinc/44/76/77/785447677.db2.gz RZRSBBRKCDCGEW-HSALFYBXSA-N 2 0 332.488 2.304 10 0 EEAERP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccccc2Cl)CCCO1 ZINC000819264955 785498484 /nfs/dbraw/zinc/49/84/84/785498484.db2.gz JBSBIGYHTOBBFK-PBHICJAKSA-N 2 0 326.868 2.464 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000844174547 788886619 /nfs/dbraw/zinc/88/66/19/788886619.db2.gz KKWNIDPNQXUVMJ-RBSFLKMASA-N 2 0 336.867 2.176 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000844313236 788980121 /nfs/dbraw/zinc/98/01/21/788980121.db2.gz JNFUQBMWIZERRY-VDZJLULYSA-N 2 0 343.471 2.470 10 0 EEAERP Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923367758 789444774 /nfs/dbraw/zinc/44/47/74/789444774.db2.gz XGEASJQKXVRQHZ-YJBOKZPZSA-N 2 0 338.879 2.464 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCOCCc1ccccc1)CC2 ZINC000923448879 789562122 /nfs/dbraw/zinc/56/21/22/789562122.db2.gz HQBLJXYWOABGJB-IBGZPJMESA-N 2 0 332.488 2.466 10 0 EEAERP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451741 789583893 /nfs/dbraw/zinc/58/38/93/789583893.db2.gz CLMFYDNCHVZOFO-GOEBONIOSA-N 2 0 349.450 2.291 10 0 EEAERP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923452837 789586186 /nfs/dbraw/zinc/58/61/86/789586186.db2.gz IEOOAKGAFXJIHW-IRXDYDNUSA-N 2 0 345.487 2.460 10 0 EEAERP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453448 789586916 /nfs/dbraw/zinc/58/69/16/789586916.db2.gz MLWSNUZSGQPTJG-IRXDYDNUSA-N 2 0 345.487 2.460 10 0 EEAERP Clc1ccccc1-c1csc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923460866 789594269 /nfs/dbraw/zinc/59/42/69/789594269.db2.gz XEBVVSBPKPLWBH-UHFFFAOYSA-N 2 0 336.892 2.458 10 0 EEAERP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498928 789681484 /nfs/dbraw/zinc/68/14/84/789681484.db2.gz QWWAQLJHLAZZOU-NVXWUHKLSA-N 2 0 333.476 2.008 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000922854905 802069191 /nfs/dbraw/zinc/06/91/91/802069191.db2.gz ZAKFBKCWCCLKQA-WMZOPIPTSA-N 2 0 347.507 2.106 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCCOC ZINC001566011944 1125500082 /nfs/dbraw/zinc/50/00/82/1125500082.db2.gz BRNPGODVPPBQRG-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001566504269 1125672358 /nfs/dbraw/zinc/67/23/58/1125672358.db2.gz DMMZPURAYLHMAF-KRWDZBQOSA-N 2 0 347.503 2.297 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H]1CCc2ccccc2C1 ZINC001566516219 1125687938 /nfs/dbraw/zinc/68/79/38/1125687938.db2.gz CWDFFKHWXYSJIC-FXAWDEMLSA-N 2 0 343.515 2.181 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cnc(C)s1 ZINC001566520146 1125692136 /nfs/dbraw/zinc/69/21/36/1125692136.db2.gz RTJOTKVEAJWLPE-MRXNPFEDSA-N 2 0 338.521 2.264 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1nc(C)oc1C ZINC001436938057 1088612778 /nfs/dbraw/zinc/61/27/78/1088612778.db2.gz YEYXGYGWSPFFGK-ALOPSCKCSA-N 2 0 348.491 2.245 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](CCF)C1)c1ccccc1 ZINC001437015886 1088800446 /nfs/dbraw/zinc/80/04/46/1088800446.db2.gz YCDRHXOABCHRMI-FUHWJXTLSA-N 2 0 335.467 2.477 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437057937 1088953899 /nfs/dbraw/zinc/95/38/99/1088953899.db2.gz DRJLXTDFFNCBPG-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCCN2C(=O)CC[NH+](C)C)on1 ZINC001437060586 1088963031 /nfs/dbraw/zinc/96/30/31/1088963031.db2.gz WYUUEJLCQCVHNO-QZTJIDSGSA-N 2 0 348.491 2.280 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)s1 ZINC001437212869 1089292188 /nfs/dbraw/zinc/29/21/88/1089292188.db2.gz HGMJUJKAJPNUFF-BBRMVZONSA-N 2 0 338.521 2.309 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001437262468 1089405529 /nfs/dbraw/zinc/40/55/29/1089405529.db2.gz PCRIPXVBBWYEBD-SJCJKPOMSA-N 2 0 339.430 2.387 10 0 EEAERP Cn1cncc1CCC(=O)NCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001437550506 1090010580 /nfs/dbraw/zinc/01/05/80/1090010580.db2.gz HIVCGCVIDSRPFU-CQSZACIVSA-N 2 0 342.434 2.226 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1Cl ZINC001437682535 1090218515 /nfs/dbraw/zinc/21/85/15/1090218515.db2.gz RWOADRQAKCWHRD-MRXNPFEDSA-N 2 0 337.895 2.415 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001437883031 1090458169 /nfs/dbraw/zinc/45/81/69/1090458169.db2.gz UVHLRFKQSNLZEG-AEFFLSMTSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(NCC[C@H]1CC[N@H+](CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001437950031 1090547610 /nfs/dbraw/zinc/54/76/10/1090547610.db2.gz RRIKXDAFCCMXJR-SFHVURJKSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437952399 1090549854 /nfs/dbraw/zinc/54/98/54/1090549854.db2.gz ZRJPMFWZMAWIBK-QGZVFWFLSA-N 2 0 349.523 2.052 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001438126488 1090652530 /nfs/dbraw/zinc/65/25/30/1090652530.db2.gz APWDSVMIVSCBNQ-ZBFHGGJFSA-N 2 0 343.462 2.344 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001438246038 1090727968 /nfs/dbraw/zinc/72/79/68/1090727968.db2.gz MDQHUGSNNOAXKW-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1scnc1C ZINC001438293726 1090775507 /nfs/dbraw/zinc/77/55/07/1090775507.db2.gz FTOYQHMJNMBXBL-QLFBSQMISA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C)s1 ZINC001438311956 1090790453 /nfs/dbraw/zinc/79/04/53/1090790453.db2.gz RXDXNNCOCFCXRI-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)cn1 ZINC001438345283 1090822052 /nfs/dbraw/zinc/82/20/52/1090822052.db2.gz QLZKIZPECLDTLU-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](C/C=C/Cl)C2)CC1 ZINC001438463457 1090971083 /nfs/dbraw/zinc/97/10/83/1090971083.db2.gz BSRWGLQCUHCTPX-XBXARRHUSA-N 2 0 327.900 2.394 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cnccc2C)C1 ZINC001438689461 1091190802 /nfs/dbraw/zinc/19/08/02/1091190802.db2.gz ZIYKSJAHDPJFID-ZWKOTPCHSA-N 2 0 346.519 2.449 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)cc1F ZINC001438718547 1091242867 /nfs/dbraw/zinc/24/28/67/1091242867.db2.gz YOEMOVTVBLVDAQ-CQSZACIVSA-N 2 0 339.455 2.111 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001438730809 1091269735 /nfs/dbraw/zinc/26/97/35/1091269735.db2.gz OXQFGEHCNUYSTM-HOTGVXAUSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445547625 1091317213 /nfs/dbraw/zinc/31/72/13/1091317213.db2.gz PAUWZILPRMKXHK-BBRMVZONSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C)nc1C)C(C)C)[NH+](C)C ZINC001438834448 1091457698 /nfs/dbraw/zinc/45/76/98/1091457698.db2.gz KBBRVQAGRFEBRS-ZWKOTPCHSA-N 2 0 334.508 2.269 10 0 EEAERP C[C@H](C[N@H+](C)CC1CCOCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001445805905 1091677712 /nfs/dbraw/zinc/67/77/12/1091677712.db2.gz AULSYQWWXOEYQC-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439151097 1091793900 /nfs/dbraw/zinc/79/39/00/1091793900.db2.gz BIYIKTCVVRIXGR-UONOGXRCSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)n1 ZINC001445899129 1091826369 /nfs/dbraw/zinc/82/63/69/1091826369.db2.gz NVDYWDYMEGDLCE-WMZOPIPTSA-N 2 0 349.523 2.180 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001439182868 1091831661 /nfs/dbraw/zinc/83/16/61/1091831661.db2.gz VFQBYWVEZSRIOK-WBMJQRKESA-N 2 0 338.521 2.229 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001445947674 1091887252 /nfs/dbraw/zinc/88/72/52/1091887252.db2.gz HHOZMEFAGGOSHR-NIKGAXFTSA-N 2 0 347.478 2.459 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001439284369 1091942626 /nfs/dbraw/zinc/94/26/26/1091942626.db2.gz HNUPXHGDZNDUHR-YJBOKZPZSA-N 2 0 332.492 2.167 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445982416 1091944944 /nfs/dbraw/zinc/94/49/44/1091944944.db2.gz AJHHUDXDPWMYBV-OALUTQOASA-N 2 0 329.488 2.240 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445982430 1091945177 /nfs/dbraw/zinc/94/51/77/1091945177.db2.gz AJHHUDXDPWMYBV-RBUKOAKNSA-N 2 0 329.488 2.240 10 0 EEAERP C[C@@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439323646 1092000939 /nfs/dbraw/zinc/00/09/39/1092000939.db2.gz FWNXQTNWFWGJBA-JTZKNUQKSA-N 2 0 329.488 2.477 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ncccc1C)C1CC1 ZINC001439460123 1092237934 /nfs/dbraw/zinc/23/79/34/1092237934.db2.gz WHHATIIXPVNHBQ-RBUKOAKNSA-N 2 0 344.503 2.249 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001446301501 1092471494 /nfs/dbraw/zinc/47/14/94/1092471494.db2.gz UFMNLUDLJBWSAU-UHFFFAOYSA-N 2 0 328.460 2.247 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001439595000 1092495162 /nfs/dbraw/zinc/49/51/62/1092495162.db2.gz OAQWFSPGIUBXPL-KRWDZBQOSA-N 2 0 326.444 2.001 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001439689513 1092635090 /nfs/dbraw/zinc/63/50/90/1092635090.db2.gz XHHFYJXGLXILQY-XHSDSOJGSA-N 2 0 325.472 2.142 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001439849675 1092864470 /nfs/dbraw/zinc/86/44/70/1092864470.db2.gz JYDKCPXLTQHDQI-RDTXWAMCSA-N 2 0 335.517 2.479 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439913134 1092986556 /nfs/dbraw/zinc/98/65/56/1092986556.db2.gz LBEKIBGEOWPRTG-SJLPKXTDSA-N 2 0 335.517 2.336 10 0 EEAERP C[C@]1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC[N@H+](CCC2CC2)C1 ZINC001439932537 1093017836 /nfs/dbraw/zinc/01/78/36/1093017836.db2.gz FRQRGUSKVMMDGQ-AZUAARDMSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440121022 1093182171 /nfs/dbraw/zinc/18/21/71/1093182171.db2.gz NAHCFVZRIXPHEL-GNQBBTMLSA-N 2 0 329.488 2.478 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001448481487 1093503638 /nfs/dbraw/zinc/50/36/38/1093503638.db2.gz YLVCAIJRCZIHRB-YESZJQIVSA-N 2 0 325.472 2.049 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC(F)(F)C3)C2)CCC1 ZINC001448504597 1093531069 /nfs/dbraw/zinc/53/10/69/1093531069.db2.gz UVVMTLNTZZIQPE-MQMHXKEQSA-N 2 0 329.435 2.000 10 0 EEAERP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001440386047 1093558634 /nfs/dbraw/zinc/55/86/34/1093558634.db2.gz TZMCEPSMQBSLGU-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001440419309 1093615181 /nfs/dbraw/zinc/61/51/81/1093615181.db2.gz GRYOWVOOURTLQE-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001448669507 1093736443 /nfs/dbraw/zinc/73/64/43/1093736443.db2.gz FRWCFLVFASLVOW-WBMJQRKESA-N 2 0 340.537 2.283 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001448677472 1093744013 /nfs/dbraw/zinc/74/40/13/1093744013.db2.gz JIQMTFKVUGWAIS-CRAIPNDOSA-N 2 0 348.491 2.327 10 0 EEAERP CC[C@@H](C[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)OC ZINC001440538312 1093803964 /nfs/dbraw/zinc/80/39/64/1093803964.db2.gz KFHICFBIRKIFBZ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@H](C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1)C1CCCC1 ZINC001440611388 1093877778 /nfs/dbraw/zinc/87/77/78/1093877778.db2.gz YGOCSNFUJFBMBU-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001449011485 1094011372 /nfs/dbraw/zinc/01/13/72/1094011372.db2.gz JFRAKSHLEWAPNE-UYAOXDASSA-N 2 0 344.503 2.343 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001449022039 1094028247 /nfs/dbraw/zinc/02/82/47/1094028247.db2.gz ZRJCLVMLCXWUEJ-NVXWUHKLSA-N 2 0 343.462 2.487 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CC2)CN1C(=O)CC[NH+](C)C ZINC001449033616 1094045193 /nfs/dbraw/zinc/04/51/93/1094045193.db2.gz TWYJXFBPFGOVBP-NVXWUHKLSA-N 2 0 345.487 2.259 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CC2)CN1C(=O)CC[NH+](C)C ZINC001449033612 1094045718 /nfs/dbraw/zinc/04/57/18/1094045718.db2.gz TWYJXFBPFGOVBP-DOTOQJQBSA-N 2 0 345.487 2.259 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001449051268 1094065752 /nfs/dbraw/zinc/06/57/52/1094065752.db2.gz BDPMQXWTPAOSBK-CVEARBPZSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440824928 1094077365 /nfs/dbraw/zinc/07/73/65/1094077365.db2.gz OBKKFMYVCKRBNQ-UONOGXRCSA-N 2 0 336.455 2.078 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccn2)CC[N@@H+]1C ZINC001440872170 1094130272 /nfs/dbraw/zinc/13/02/72/1094130272.db2.gz AVLVRXQINXOGEP-ZWKOTPCHSA-N 2 0 346.519 2.386 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCc2cccs2)CC[N@@H+]1C ZINC001440923594 1094176647 /nfs/dbraw/zinc/17/66/47/1094176647.db2.gz BVXOFTMJVTVCPE-HYVNUMGLSA-N 2 0 337.533 2.457 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1 ZINC001449373178 1094343258 /nfs/dbraw/zinc/34/32/58/1094343258.db2.gz WBBAXYJHVAJRNT-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001441250635 1094644587 /nfs/dbraw/zinc/64/45/87/1094644587.db2.gz LXYTVMYTJXOHQQ-DLBZAZTESA-N 2 0 327.488 2.339 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)c1 ZINC001441258534 1094659280 /nfs/dbraw/zinc/65/92/80/1094659280.db2.gz SHUHKBWWUHPQLM-QGZVFWFLSA-N 2 0 344.503 2.058 10 0 EEAERP C[N@H+](CC(=O)N1C[C@]2(C)C[NH+](CCCF)C[C@]2(C)C1)CC(C)(C)C ZINC001441331629 1094794720 /nfs/dbraw/zinc/79/47/20/1094794720.db2.gz BYYOLMMTVFCGKV-KDURUIRLSA-N 2 0 341.515 2.494 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001441335209 1094806221 /nfs/dbraw/zinc/80/62/21/1094806221.db2.gz GHLJWJZZCNJKSQ-OKZBNKHCSA-N 2 0 339.499 2.439 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441497208 1095178929 /nfs/dbraw/zinc/17/89/29/1095178929.db2.gz OGPWTMLJBMOOFP-KDOFPFPSSA-N 2 0 328.460 2.199 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2conc2C)C1 ZINC001441574671 1095355734 /nfs/dbraw/zinc/35/57/34/1095355734.db2.gz ZUWRPZSMPGWZMR-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001441620282 1095488787 /nfs/dbraw/zinc/48/87/87/1095488787.db2.gz QRGQPLBDOLUORS-YUTKMCBRSA-N 2 0 348.318 2.475 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001441625117 1095502436 /nfs/dbraw/zinc/50/24/36/1095502436.db2.gz UOSVANVBGASKIP-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441827578 1095877004 /nfs/dbraw/zinc/87/70/04/1095877004.db2.gz AJEVOHHICAZZAP-ZFWWWQNUSA-N 2 0 336.480 2.040 10 0 EEAERP COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001441837499 1095905434 /nfs/dbraw/zinc/90/54/34/1095905434.db2.gz PGBQHKFSWSHVPP-FUHWJXTLSA-N 2 0 347.503 2.423 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001441837363 1095906190 /nfs/dbraw/zinc/90/61/90/1095906190.db2.gz PBCZJKFRRZDISC-YJBOKZPZSA-N 2 0 332.492 2.118 10 0 EEAERP O=C(NCC[C@@H](Cc1ccccc1)[NH2+]CCF)[C@H]1C[NH+]2CCC1CC2 ZINC001441893603 1096033691 /nfs/dbraw/zinc/03/36/91/1096033691.db2.gz HKAKVYUWGKSEFE-OALUTQOASA-N 2 0 347.478 2.005 10 0 EEAERP CN(C)c1ccccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001441922823 1096105422 /nfs/dbraw/zinc/10/54/22/1096105422.db2.gz JLNCOMMEAWFAKV-FUHWJXTLSA-N 2 0 346.519 2.079 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnc(-c2ccccc2)o1 ZINC001442058403 1096270128 /nfs/dbraw/zinc/27/01/28/1096270128.db2.gz YUDWFXYUZZLICK-OAHLLOKOSA-N 2 0 342.443 2.032 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001442072692 1096285533 /nfs/dbraw/zinc/28/55/33/1096285533.db2.gz ZDVBLDRSLYZKAY-QFBILLFUSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001442212067 1096503349 /nfs/dbraw/zinc/50/33/49/1096503349.db2.gz MGFHSSYYADOOEF-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)ncn1 ZINC001442308311 1096624208 /nfs/dbraw/zinc/62/42/08/1096624208.db2.gz SFZPSGAZAIYOJO-NVXWUHKLSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001442322007 1096640960 /nfs/dbraw/zinc/64/09/60/1096640960.db2.gz POPSLQDNUCHBMW-CQSZACIVSA-N 2 0 348.491 2.052 10 0 EEAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCC(F)(F)CC1 ZINC001442571862 1096936287 /nfs/dbraw/zinc/93/62/87/1096936287.db2.gz GQJSESHFKFXRTC-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CCc1ccc(F)c(F)c1 ZINC001442747910 1097123795 /nfs/dbraw/zinc/12/37/95/1097123795.db2.gz XZTDATKHMBXLQV-UHFFFAOYSA-N 2 0 339.430 2.041 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001442821829 1097209920 /nfs/dbraw/zinc/20/99/20/1097209920.db2.gz PYIIYZPHGJWAGA-SJLPKXTDSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001442883125 1097278886 /nfs/dbraw/zinc/27/88/86/1097278886.db2.gz BVZXUVLBPWBXJV-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc2cc[nH]c2c1 ZINC001443675625 1098178635 /nfs/dbraw/zinc/17/86/35/1098178635.db2.gz LMNJSEYGJVYONV-ROUUACIJSA-N 2 0 340.471 2.295 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](CCOC)c2ccccc2)C1)[NH+](C)C ZINC001443713342 1098217152 /nfs/dbraw/zinc/21/71/52/1098217152.db2.gz LDZZAUNDNFJVMZ-OTWHNJEPSA-N 2 0 347.503 2.295 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001444036269 1098556232 /nfs/dbraw/zinc/55/62/32/1098556232.db2.gz KKSIRQZOFHTAIG-UONOGXRCSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(C)n1 ZINC001444105118 1098634227 /nfs/dbraw/zinc/63/42/27/1098634227.db2.gz LHQMTBGPBVSBMF-ICSRJNTNSA-N 2 0 344.503 2.167 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1cccnc1C ZINC001479641553 1098669659 /nfs/dbraw/zinc/66/96/59/1098669659.db2.gz DRKZVLJDPZAVNQ-IPMKNSEASA-N 2 0 346.519 2.445 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C/C(Cl)=C/Cl)CC1 ZINC001444172654 1098723682 /nfs/dbraw/zinc/72/36/82/1098723682.db2.gz HJSCAZBJIIQYFD-NSCCEZDJSA-N 2 0 334.291 2.418 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+][C@H](C)COC)cc2)CC[N@@H+]1C ZINC001444211539 1098771387 /nfs/dbraw/zinc/77/13/87/1098771387.db2.gz PLSXYCBHEGXPDT-AYOQOUSVSA-N 2 0 347.503 2.158 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001444394687 1098989490 /nfs/dbraw/zinc/98/94/90/1098989490.db2.gz ZMUFULBTEMDINN-OLZOCXBDSA-N 2 0 327.419 2.319 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccn2)C2CCCCC2)C1 ZINC001444800892 1099719535 /nfs/dbraw/zinc/71/95/35/1099719535.db2.gz YMMFAMLFXCZPGL-PKOBYXMFSA-N 2 0 344.503 2.188 10 0 EEAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001480210133 1099819929 /nfs/dbraw/zinc/81/99/29/1099819929.db2.gz CXVGZMGDLSHKJZ-CALCHBBNSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](F)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001444844579 1099820392 /nfs/dbraw/zinc/82/03/92/1099820392.db2.gz ZYHLMKMNCLTXMU-RDJZCZTQSA-N 2 0 327.488 2.247 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480295111 1100008968 /nfs/dbraw/zinc/00/89/68/1100008968.db2.gz VTXUVIIZGSGSKE-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]21)CC(C)(C)C ZINC001480394846 1100202097 /nfs/dbraw/zinc/20/20/97/1100202097.db2.gz PHNJPBVPOKTCGD-SGTQZHETSA-N 2 0 347.547 2.447 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001480458986 1100264430 /nfs/dbraw/zinc/26/44/30/1100264430.db2.gz GXTLJQKDAXVESX-QFBILLFUSA-N 2 0 347.503 2.300 10 0 EEAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001480480274 1100289179 /nfs/dbraw/zinc/28/91/79/1100289179.db2.gz QJDIOCMACWIEDA-UKRRQHHQSA-N 2 0 339.430 2.434 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC[C@@H]1CCCCO1 ZINC001445082651 1100295321 /nfs/dbraw/zinc/29/53/21/1100295321.db2.gz FVEKDRMWXPTRRX-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC1CCOCC1 ZINC001480558311 1100399656 /nfs/dbraw/zinc/39/96/56/1100399656.db2.gz AOYLDNHVWIUPAD-KRWDZBQOSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001446433952 1100853547 /nfs/dbraw/zinc/85/35/47/1100853547.db2.gz FGQZCANDHHZKOD-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)sc1C ZINC001446450394 1100871701 /nfs/dbraw/zinc/87/17/01/1100871701.db2.gz WDKRYXQJOJOXQU-SWLSCSKDSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ocnc2C)[C@H](C)C1 ZINC001496367206 1100959769 /nfs/dbraw/zinc/95/97/69/1100959769.db2.gz HQXMBWPWKJQRCI-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]C/C=C/Cl ZINC001496397711 1100990704 /nfs/dbraw/zinc/99/07/04/1100990704.db2.gz ZNTUDVJHTSKRSH-RYRNWLTQSA-N 2 0 339.911 2.442 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)o1 ZINC001495294511 1100994523 /nfs/dbraw/zinc/99/45/23/1100994523.db2.gz SRZNHNHOPXVNJX-HNAYVOBHSA-N 2 0 348.491 2.008 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C2CC2)C1 ZINC001495298717 1100998606 /nfs/dbraw/zinc/99/86/06/1100998606.db2.gz JKAMRRCRGHXSPK-VQIMIIECSA-N 2 0 333.520 2.393 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001496412707 1101005296 /nfs/dbraw/zinc/00/52/96/1101005296.db2.gz CKOHEGPOFNOGHF-GOSISDBHSA-N 2 0 339.499 2.439 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001495355026 1101068086 /nfs/dbraw/zinc/06/80/86/1101068086.db2.gz CJBCBJJRCHDLPH-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001496486612 1101078074 /nfs/dbraw/zinc/07/80/74/1101078074.db2.gz JICFHVDWRNRBQA-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)on1 ZINC001495364293 1101079635 /nfs/dbraw/zinc/07/96/35/1101079635.db2.gz UJXXLWJMAREIIO-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001495394147 1101114658 /nfs/dbraw/zinc/11/46/58/1101114658.db2.gz VOVUIWVULBADJH-OAHLLOKOSA-N 2 0 343.462 2.346 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cnoc2C)CC1)[NH+](C)C ZINC001495433491 1101151121 /nfs/dbraw/zinc/15/11/21/1101151121.db2.gz ZYMFSVIFJTXSCH-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CC=C(Cl)Cl)CC1)C12CC[NH+](CC1)C2 ZINC001495474552 1101185388 /nfs/dbraw/zinc/18/53/88/1101185388.db2.gz LKUIKWJSVYMCLO-JOCQHMNTSA-N 2 0 346.302 2.418 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)CCO1 ZINC001495495015 1101204726 /nfs/dbraw/zinc/20/47/26/1101204726.db2.gz LBSPDXRZDXPJFC-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC001495506996 1101220241 /nfs/dbraw/zinc/22/02/41/1101220241.db2.gz ATXPURHMPIXNNX-LJQANCHMSA-N 2 0 347.503 2.302 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(F)(F)CC1 ZINC001496643638 1101248190 /nfs/dbraw/zinc/24/81/90/1101248190.db2.gz PAIGHXSGYLZXAA-JKSUJKDBSA-N 2 0 345.478 2.494 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001446984179 1101702940 /nfs/dbraw/zinc/70/29/40/1101702940.db2.gz BZYRSWQRYXRFJW-NSHGMRRFSA-N 2 0 341.499 2.406 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CCCC1 ZINC001495963381 1101839745 /nfs/dbraw/zinc/83/97/45/1101839745.db2.gz IARPEOOMERLWGL-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204162 1102123722 /nfs/dbraw/zinc/12/37/22/1102123722.db2.gz BKWBFNRVIUNGBG-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001497210779 1102133524 /nfs/dbraw/zinc/13/35/24/1102133524.db2.gz WVRRSHWVYXMLOS-HNNXBMFYSA-N 2 0 348.491 2.097 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497215438 1102139155 /nfs/dbraw/zinc/13/91/55/1102139155.db2.gz NGJKTKJYEGDBLQ-HNAYVOBHSA-N 2 0 345.487 2.186 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001497261990 1102213560 /nfs/dbraw/zinc/21/35/60/1102213560.db2.gz GPUYLDJSPWOVSO-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497275380 1102237855 /nfs/dbraw/zinc/23/78/55/1102237855.db2.gz HLKRJADKDQYLDF-DOTOQJQBSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001497331646 1102336699 /nfs/dbraw/zinc/33/66/99/1102336699.db2.gz NBUAYPNUNICWED-CQSZACIVSA-N 2 0 331.451 2.392 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497407039 1102442299 /nfs/dbraw/zinc/44/22/99/1102442299.db2.gz HVQDAPYIKSETPL-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497406907 1102442454 /nfs/dbraw/zinc/44/24/54/1102442454.db2.gz GYZUSWVVOOBXQZ-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497434136 1102483308 /nfs/dbraw/zinc/48/33/08/1102483308.db2.gz HETIMZQMVMWNSD-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)CC[NH+](C)C ZINC001447358323 1102521410 /nfs/dbraw/zinc/52/14/10/1102521410.db2.gz IJLVYCRVLHCZBK-UHFFFAOYSA-N 2 0 331.504 2.407 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001497579119 1102693115 /nfs/dbraw/zinc/69/31/15/1102693115.db2.gz LPLVJPDRLGDDFE-HZQHCPKGSA-N 2 0 341.499 2.407 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497837192 1103169800 /nfs/dbraw/zinc/16/98/00/1103169800.db2.gz GGBJGNOSRJWLKA-DYVFJYSZSA-N 2 0 339.430 2.086 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCCc1ccccc1 ZINC001447778957 1103312879 /nfs/dbraw/zinc/31/28/79/1103312879.db2.gz YTFBQTFXXKEKKI-IBGZPJMESA-N 2 0 331.504 2.494 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494029363 1103385133 /nfs/dbraw/zinc/38/51/33/1103385133.db2.gz OINWEIBBBHJBLQ-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001447874850 1103492909 /nfs/dbraw/zinc/49/29/09/1103492909.db2.gz UISOQVAPLQTSLE-HUUCEWRRSA-N 2 0 335.467 2.335 10 0 EEAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2ocnc2C)CC1)[NH+](C)C ZINC001447929103 1103622402 /nfs/dbraw/zinc/62/24/02/1103622402.db2.gz DDEBGPBSMYVMSC-UYSNPLJNSA-N 2 0 336.480 2.182 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001447943614 1103654967 /nfs/dbraw/zinc/65/49/67/1103654967.db2.gz BUFSGSUBLGAKTR-WWDZGPRUSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1ccccc1CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494615489 1104199421 /nfs/dbraw/zinc/19/94/21/1104199421.db2.gz SMKJTZLPWQQVFD-KRWDZBQOSA-N 2 0 343.515 2.181 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001448221481 1104205651 /nfs/dbraw/zinc/20/56/51/1104205651.db2.gz MFLBBKSAJHBNCP-QGZVFWFLSA-N 2 0 348.491 2.294 10 0 EEAERP Cc1cccc(C[NH+]2CC(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001494633686 1104217354 /nfs/dbraw/zinc/21/73/54/1104217354.db2.gz SMFFODHSRBVUQX-IRXDYDNUSA-N 2 0 329.488 2.416 10 0 EEAERP CO[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001448319212 1104382350 /nfs/dbraw/zinc/38/23/50/1104382350.db2.gz ZQEBEYUFQXAXHB-CABCVRRESA-N 2 0 339.524 2.111 10 0 EEAERP CC(C)OCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001448340859 1104425273 /nfs/dbraw/zinc/42/52/73/1104425273.db2.gz LIMPBIULDXNIQG-AEFFLSMTSA-N 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CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCOCC)C2)C1 ZINC001480733500 1107005479 /nfs/dbraw/zinc/00/54/79/1107005479.db2.gz NGHWUCFGEBVGLJ-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001480789011 1107121146 /nfs/dbraw/zinc/12/11/46/1107121146.db2.gz AAXFGBXYVVEWTJ-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccncc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001498283250 1107212578 /nfs/dbraw/zinc/21/25/78/1107212578.db2.gz WQGUTPGAMPUFGS-AEFFLSMTSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498450194 1107553917 /nfs/dbraw/zinc/55/39/17/1107553917.db2.gz LUOKWKIZVASLIL-NVXWUHKLSA-N 2 0 335.467 2.147 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498551342 1107707979 /nfs/dbraw/zinc/70/79/79/1107707979.db2.gz HVIUPWGQADJCPH-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ncccc1C ZINC001493291326 1107865654 /nfs/dbraw/zinc/86/56/54/1107865654.db2.gz PMAJWCFZDALAHH-SFHVURJKSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cnccc1C ZINC001493325452 1107935090 /nfs/dbraw/zinc/93/50/90/1107935090.db2.gz QBCJNUMWRKOOGR-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001498761360 1108045909 /nfs/dbraw/zinc/04/59/09/1108045909.db2.gz RHQMLFISSWVQJS-RBUKOAKNSA-N 2 0 345.462 2.152 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC001493668578 1108479684 /nfs/dbraw/zinc/47/96/84/1108479684.db2.gz DSZCKMVROWIQJY-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001499066012 1108529746 /nfs/dbraw/zinc/52/97/46/1108529746.db2.gz AVQCMTHRBMBZLF-FXAWDEMLSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001493720240 1108563550 /nfs/dbraw/zinc/56/35/50/1108563550.db2.gz KGVGHPCQMYJMHR-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1c(Cl)cccc1OC)[NH+](C)C ZINC001493763737 1108639012 /nfs/dbraw/zinc/63/90/12/1108639012.db2.gz OWOYLJBAWVKYOM-HNNXBMFYSA-N 2 0 341.883 2.237 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCOC)CC1 ZINC001493828220 1108710060 /nfs/dbraw/zinc/71/00/60/1108710060.db2.gz VOUYYUIHIIGTBW-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001493850353 1108734532 /nfs/dbraw/zinc/73/45/32/1108734532.db2.gz PXNSZJLHYZKRSH-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)C1)[NH+](C)C ZINC001479336997 1110682653 /nfs/dbraw/zinc/68/26/53/1110682653.db2.gz DNSIOQJLTGDGOO-SCTDSRPQSA-N 2 0 346.519 2.077 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001479471860 1110699054 /nfs/dbraw/zinc/69/90/54/1110699054.db2.gz YXOUFFYRNUUEBA-FUHWJXTLSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421663 1112278845 /nfs/dbraw/zinc/27/88/45/1112278845.db2.gz OYVLESROSUVDST-HUUCEWRRSA-N 2 0 333.451 2.467 10 0 EEAERP Cc1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(=O)C[N@@H+](C)C(C)C)o1 ZINC001499497509 1112322570 /nfs/dbraw/zinc/32/25/70/1112322570.db2.gz VCVSJMWKFZMVHU-ALOPSCKCSA-N 2 0 348.491 2.325 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001500498888 1112890123 /nfs/dbraw/zinc/89/01/23/1112890123.db2.gz POFSLVXPEONITN-AEFFLSMTSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500611550 1112974828 /nfs/dbraw/zinc/97/48/28/1112974828.db2.gz VEVBUYZAHLZOIY-CABCVRRESA-N 2 0 331.451 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001501145698 1113214472 /nfs/dbraw/zinc/21/44/72/1113214472.db2.gz FUWJVYJJFOHALY-JNCUSGHUSA-N 2 0 336.307 2.331 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+]1CCCC1 ZINC001501168988 1113224770 /nfs/dbraw/zinc/22/47/70/1113224770.db2.gz RABZPUKZGMJGPB-MUJYYYPQSA-N 2 0 325.472 2.190 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001501610567 1113398569 /nfs/dbraw/zinc/39/85/69/1113398569.db2.gz BJPAVJUKINOBNZ-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505922587 1114278573 /nfs/dbraw/zinc/27/85/73/1114278573.db2.gz PUDQQHOKTVTGBL-QGPMSJSTSA-N 2 0 349.523 2.049 10 0 EEAERP Cc1nsc(C)c1CN(C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001505945792 1114293757 /nfs/dbraw/zinc/29/37/57/1114293757.db2.gz HPRNTEQHNQILRO-MLGOLLRUSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001505987597 1114323036 /nfs/dbraw/zinc/32/30/36/1114323036.db2.gz AYHHWTXMHBFDMW-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001506891023 1114953454 /nfs/dbraw/zinc/95/34/54/1114953454.db2.gz AKYKGPMCYLUPSQ-BFYDXBDKSA-N 2 0 325.472 2.237 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2nccs2)CC[N@@H+]1C ZINC001506924699 1114977531 /nfs/dbraw/zinc/97/75/31/1114977531.db2.gz YHAMHZBUMDYKGB-QLFBSQMISA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001507342089 1115205070 /nfs/dbraw/zinc/20/50/70/1115205070.db2.gz UNGWOIYORYABMU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001507426049 1115262809 /nfs/dbraw/zinc/26/28/09/1115262809.db2.gz DYHHKRZYZQYFAJ-DLBZAZTESA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001508066432 1115409288 /nfs/dbraw/zinc/40/92/88/1115409288.db2.gz QHDQTTVIOIKONN-SBRLYDIBSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001508163921 1115432122 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336.307 2.103 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568274209 1124398768 /nfs/dbraw/zinc/39/87/68/1124398768.db2.gz TUNPINSKLDCJSE-QAPCUYQASA-N 2 0 347.478 2.147 10 0 EEAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300144 1124411351 /nfs/dbraw/zinc/41/13/51/1124411351.db2.gz LDLSUSHMZVKMHW-BHDDWZGFSA-N 2 0 333.879 2.388 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001568343516 1124427683 /nfs/dbraw/zinc/42/76/83/1124427683.db2.gz KISALSMURRAGFG-NXHRZFHOSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1csc(C)n1 ZINC001568638872 1124652247 /nfs/dbraw/zinc/65/22/47/1124652247.db2.gz HKKNZNLYBOMJOV-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCC1(F)F ZINC001568826521 1124844539 /nfs/dbraw/zinc/84/45/39/1124844539.db2.gz CWZMTQWAUFAYLZ-SWVJOTTGSA-N 2 0 329.435 2.168 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001568927829 1124957736 /nfs/dbraw/zinc/95/77/36/1124957736.db2.gz CQIJOKCJAONTOG-NNTXTVRGSA-N 2 0 335.414 2.464 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F)C12CC[NH+](CC1)C2 ZINC001568949626 1124982856 /nfs/dbraw/zinc/98/28/56/1124982856.db2.gz FMFSZHLMTGSVPZ-ZMXQLYDGSA-N 2 0 343.446 2.171 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001568969157 1125005685 /nfs/dbraw/zinc/00/56/85/1125005685.db2.gz IZBMUXLJYRVYSW-WRFKIARRSA-N 2 0 333.451 2.462 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001569018799 1125045288 /nfs/dbraw/zinc/04/52/88/1125045288.db2.gz FXLBSWYPIRSEPV-HUUCEWRRSA-N 2 0 337.895 2.319 10 0 EEAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001569118925 1125109917 /nfs/dbraw/zinc/10/99/17/1125109917.db2.gz XKAWMHCSOYSLGF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1oc(C)nc1C ZINC001569208694 1125165977 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C[N@H+](CCn1ccnc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000131178913 529940778 /nfs/dbraw/zinc/94/07/78/529940778.db2.gz TZLBGKHNXLKJCZ-FQEVSTJZSA-N 2 0 342.487 2.261 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000178622529 539568072 /nfs/dbraw/zinc/56/80/72/539568072.db2.gz PMHKGWRZEVRQIG-UHFFFAOYSA-N 2 0 327.476 2.194 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000069329740 215380051 /nfs/dbraw/zinc/38/00/51/215380051.db2.gz MDEOIZKGXNVPMX-CQSZACIVSA-N 2 0 346.450 2.398 10 0 EEAERP COc1cc2c(cc1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1)O[C@@H](C)C2 ZINC000069347323 215380767 /nfs/dbraw/zinc/38/07/67/215380767.db2.gz JBEFSLHPOKZKMT-GJZGRUSLSA-N 2 0 348.487 2.201 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000069349946 215383560 /nfs/dbraw/zinc/38/35/60/215383560.db2.gz MHCGRCPWOWQROV-CQSZACIVSA-N 2 0 346.500 2.388 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC2CC(O)C2)CC1 ZINC000443860699 539958858 /nfs/dbraw/zinc/95/88/58/539958858.db2.gz IYBZTIDOWRCCBQ-UHFFFAOYSA-N 2 0 331.504 2.421 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071880 240350218 /nfs/dbraw/zinc/35/02/18/240350218.db2.gz GFHGPCTWBZDJSB-IPMKNSEASA-N 2 0 338.467 2.243 10 0 EEAERP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000416203618 239115752 /nfs/dbraw/zinc/11/57/52/239115752.db2.gz YMHPQPHAJCPABM-INIZCTEOSA-N 2 0 327.472 2.201 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000422710269 240186822 /nfs/dbraw/zinc/18/68/22/240186822.db2.gz FNZOUKYLDNNWGS-HUUCEWRRSA-N 2 0 333.476 2.405 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140441 240380652 /nfs/dbraw/zinc/38/06/52/240380652.db2.gz YGXCJVBIYAUABJ-VAMGGRTRSA-N 2 0 343.515 2.385 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)[C@@H]1n1cccn1 ZINC000423145582 240382917 /nfs/dbraw/zinc/38/29/17/240382917.db2.gz LKNJUNZPNYORGT-RUGDWHBFSA-N 2 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ZINC000276999069 256488026 /nfs/dbraw/zinc/48/80/26/256488026.db2.gz ACWLWKRRNAZAMT-MRXNPFEDSA-N 2 0 347.503 2.415 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107833033 159337040 /nfs/dbraw/zinc/33/70/40/159337040.db2.gz SACSHXIXDPFSNF-MSOLQXFVSA-N 2 0 336.524 2.378 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000246523438 160282921 /nfs/dbraw/zinc/28/29/21/160282921.db2.gz XMBIYSRPAGDEMV-KURKYZTESA-N 2 0 336.524 2.375 10 0 EEAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3cccc(Cl)c3)C2)CC1 ZINC000247521550 160327855 /nfs/dbraw/zinc/32/78/55/160327855.db2.gz NKUCHCABCHFDKE-QZTJIDSGSA-N 2 0 337.895 2.085 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248404352 160344272 /nfs/dbraw/zinc/34/42/72/160344272.db2.gz QCAHVOCWZGYXOF-IKGGRYGDSA-N 2 0 336.524 2.423 10 0 EEAERP CC1(C)[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000278185905 274338756 /nfs/dbraw/zinc/33/87/56/274338756.db2.gz DTVPBYQDSLFSOO-ZCNNSNEGSA-N 2 0 343.515 2.207 10 0 EEAERP NC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289772862 275147391 /nfs/dbraw/zinc/14/73/91/275147391.db2.gz JXPNFXWGQMKIPI-SFHVURJKSA-N 2 0 344.503 2.421 10 0 EEAERP C(CC[NH+]1CCCN(C2CC2)CC1)CC[N@@H+]1CCCN(C2CC2)CC1 ZINC000172658224 275390350 /nfs/dbraw/zinc/39/03/50/275390350.db2.gz DOENHMNTRJZUOA-UHFFFAOYSA-N 2 0 348.579 2.497 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000358200279 276182460 /nfs/dbraw/zinc/18/24/60/276182460.db2.gz SGQCQMXUULSMKG-SFHVURJKSA-N 2 0 336.524 2.306 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000175965377 276202519 /nfs/dbraw/zinc/20/25/19/276202519.db2.gz JUFPAQSKJBMOAE-INIZCTEOSA-N 2 0 344.503 2.041 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC000372213451 276372337 /nfs/dbraw/zinc/37/23/37/276372337.db2.gz WKVOHFAYEMWPKM-KZNAEPCWSA-N 2 0 348.466 2.354 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)[C@@H]2CCC[C@H]21 ZINC000367710211 277171240 /nfs/dbraw/zinc/17/12/40/277171240.db2.gz WGEDHJSPMOTLLW-MELADBBJSA-N 2 0 327.270 2.108 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000340146867 279316716 /nfs/dbraw/zinc/31/67/16/279316716.db2.gz HSOPRBHOLNGXIP-BHIYHBOVSA-N 2 0 344.503 2.463 10 0 EEAERP CN(c1ccccc1C[NH2+]CC1(C)OCCCO1)C1CC[NH+](C)CC1 ZINC000192251568 289785525 /nfs/dbraw/zinc/78/55/25/289785525.db2.gz QHCFQSXJHOWBKR-UHFFFAOYSA-N 2 0 347.503 2.460 10 0 EEAERP COc1ccc(F)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000293498504 293224071 /nfs/dbraw/zinc/22/40/71/293224071.db2.gz HCTLIUSCCWAXPR-UHFFFAOYSA-N 2 0 335.467 2.483 10 0 EEAERP [NH3+]CC1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCOCC1 ZINC000261744701 303369296 /nfs/dbraw/zinc/36/92/96/303369296.db2.gz UACMYMKBTCBNOO-UHFFFAOYSA-N 2 0 337.508 2.047 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000333153790 312101883 /nfs/dbraw/zinc/10/18/83/312101883.db2.gz MSBLIURNDXMWRI-OBJOEFQTSA-N 2 0 337.493 2.328 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C[NH3+])C(C)(C)C)CC1 ZINC000414737344 313073124 /nfs/dbraw/zinc/07/31/24/313073124.db2.gz NZUORSOKYUINJA-QGZVFWFLSA-N 2 0 347.507 2.323 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416980953 313381492 /nfs/dbraw/zinc/38/14/92/313381492.db2.gz KHGDPVJVKGAMKG-IBGZPJMESA-N 2 0 342.487 2.318 10 0 EEAERP C[N@H+](CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000417018164 313396854 /nfs/dbraw/zinc/39/68/54/313396854.db2.gz PNBGDZGKNQQFOK-IBGZPJMESA-N 2 0 336.524 2.426 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417221730 313454147 /nfs/dbraw/zinc/45/41/47/313454147.db2.gz OMOJAXVTJDXIEA-VQHPVUNQSA-N 2 0 336.524 2.279 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000417313313 313481312 /nfs/dbraw/zinc/48/13/12/313481312.db2.gz PBICVKVNHQJIMV-QFBILLFUSA-N 2 0 348.491 2.448 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000417845930 313616919 /nfs/dbraw/zinc/61/69/19/313616919.db2.gz IYRVFTQGBODONK-ZWKOTPCHSA-N 2 0 332.492 2.072 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417854993 313619619 /nfs/dbraw/zinc/61/96/19/313619619.db2.gz ULXCQTKBIUBHQW-SFHVURJKSA-N 2 0 336.524 2.280 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)CC1 ZINC000417922072 313650586 /nfs/dbraw/zinc/65/05/86/313650586.db2.gz ILJWZYYAQGVCTG-LWSMDNFKSA-N 2 0 348.535 2.423 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418141437 313723984 /nfs/dbraw/zinc/72/39/84/313723984.db2.gz XYQWNGLXHJYYPA-UHFFFAOYSA-N 2 0 334.508 2.179 10 0 EEAERP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000418398273 313803617 /nfs/dbraw/zinc/80/36/17/313803617.db2.gz WBWAKNDEDGKHPR-OAHLLOKOSA-N 2 0 326.529 2.384 10 0 EEAERP CN(CCC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cc[nH+]cc1 ZINC000540928836 318084568 /nfs/dbraw/zinc/08/45/68/318084568.db2.gz ZRYFXWQSSKPJNX-UHFFFAOYSA-N 2 0 340.471 2.498 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC(=O)Nc1ccccn1 ZINC000541372748 318097803 /nfs/dbraw/zinc/09/78/03/318097803.db2.gz CEWQHCCPUUOMCO-UHFFFAOYSA-N 2 0 336.399 2.089 10 0 EEAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715481 318167928 /nfs/dbraw/zinc/16/79/28/318167928.db2.gz OACQUSDHIQNLQE-BRWVUGGUSA-N 2 0 332.492 2.391 10 0 EEAERP CCc1nncn1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000545264969 318212264 /nfs/dbraw/zinc/21/22/64/318212264.db2.gz XTGDFHYNSIQHMT-WMZOPIPTSA-N 2 0 327.476 2.341 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567731182 319412593 /nfs/dbraw/zinc/41/25/93/319412593.db2.gz GXOCICNLAKZCSS-QAPCUYQASA-N 2 0 330.476 2.129 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000341205644 465054605 /nfs/dbraw/zinc/05/46/05/465054605.db2.gz GOBNOLPBDGDOIH-CQSZACIVSA-N 2 0 331.460 2.089 10 0 EEAERP CCn1ccnc1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000296340056 465162199 /nfs/dbraw/zinc/16/21/99/465162199.db2.gz MZHSQOURJUFUHF-QGZVFWFLSA-N 2 0 341.459 2.367 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000341454782 465176919 /nfs/dbraw/zinc/17/69/19/465176919.db2.gz CSZXXXNTSRKJKS-RCCFBDPRSA-N 2 0 334.508 2.273 10 0 EEAERP C[C@@H]1C[NH+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)O1 ZINC000358733919 465291176 /nfs/dbraw/zinc/29/11/76/465291176.db2.gz NKPAZGGPNLJWNB-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493257 465305277 /nfs/dbraw/zinc/30/52/77/465305277.db2.gz GXBSUZVIYYZSQS-RTBURBONSA-N 2 0 330.472 2.294 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000568151885 468278715 /nfs/dbraw/zinc/27/87/15/468278715.db2.gz OSBHXLRXWPBMLZ-APWZRJJASA-N 2 0 327.472 2.277 10 0 EEAERP CO[C@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000120059128 462957873 /nfs/dbraw/zinc/95/78/73/462957873.db2.gz STPNGCYVBGPSPQ-OAHLLOKOSA-N 2 0 336.480 2.351 10 0 EEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000121135292 463085493 /nfs/dbraw/zinc/08/54/93/463085493.db2.gz MSCJGBUCNANPCX-OAHLLOKOSA-N 2 0 336.476 2.228 10 0 EEAERP O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(OC(F)F)cc1 ZINC000521876169 468337767 /nfs/dbraw/zinc/33/77/67/468337767.db2.gz OACCLQQHCMUBJH-QGZVFWFLSA-N 2 0 339.386 2.302 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000069418139 463243807 /nfs/dbraw/zinc/24/38/07/463243807.db2.gz KCTSRPNSSKIODN-UHFFFAOYSA-N 2 0 332.366 2.379 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000138160417 463304355 /nfs/dbraw/zinc/30/43/55/463304355.db2.gz KOFHSOAGRPLOOM-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000069778806 463325274 /nfs/dbraw/zinc/32/52/74/463325274.db2.gz NKGYFZDDMYZSBO-LJQANCHMSA-N 2 0 346.519 2.285 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000043239705 463629703 /nfs/dbraw/zinc/62/97/03/463629703.db2.gz FQWRDIDZPOLCFO-IEBWSBKVSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000170863103 463726291 /nfs/dbraw/zinc/72/62/91/463726291.db2.gz WUXCPMNVXACLIK-GJZGRUSLSA-N 2 0 336.505 2.231 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSc1ccc2c(c1)CCC2 ZINC000261383535 463792690 /nfs/dbraw/zinc/79/26/90/463792690.db2.gz CJYWTXMRJAAVHT-UHFFFAOYSA-N 2 0 349.544 2.219 10 0 EEAERP Cc1nc2cc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)ccc2[nH]1 ZINC000261614255 463801868 /nfs/dbraw/zinc/80/18/68/463801868.db2.gz FDPOCBDKIWCLMJ-HNJNHCNJSA-N 2 0 328.416 2.342 10 0 EEAERP C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000276912821 463804285 /nfs/dbraw/zinc/80/42/85/463804285.db2.gz PKMOHXXNKKIJHW-AWEZNQCLSA-N 2 0 339.505 2.107 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000579572202 468377771 /nfs/dbraw/zinc/37/77/71/468377771.db2.gz LTUQBUNUSXTABW-RWQQGDIJSA-N 2 0 344.503 2.337 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000261626910 463806713 /nfs/dbraw/zinc/80/67/13/463806713.db2.gz CPCUZQCXWHOORA-RTBURBONSA-N 2 0 345.487 2.002 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000171899990 463944940 /nfs/dbraw/zinc/94/49/40/463944940.db2.gz YXZFEWGTVCVZSG-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000298565905 465433793 /nfs/dbraw/zinc/43/37/93/465433793.db2.gz WNGFSGAYVGSUAM-IEBWSBKVSA-N 2 0 331.504 2.038 10 0 EEAERP CN1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262576781 464033418 /nfs/dbraw/zinc/03/34/18/464033418.db2.gz ORLXIIMELHFUMK-ZNMIVQPWSA-N 2 0 325.815 2.093 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C1CCCCC1 ZINC000173850146 464321529 /nfs/dbraw/zinc/32/15/29/464321529.db2.gz BNLFTZYVEIXHGQ-SFHVURJKSA-N 2 0 334.508 2.297 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246353263 464574746 /nfs/dbraw/zinc/57/47/46/464574746.db2.gz PLKAYHOOXQDIPB-XWTMOSNGSA-N 2 0 334.508 2.009 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000298184674 465326055 /nfs/dbraw/zinc/32/60/55/465326055.db2.gz DKDHBMZNHJQERL-QGZVFWFLSA-N 2 0 327.432 2.150 10 0 EEAERP CC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000371073601 465582706 /nfs/dbraw/zinc/58/27/06/465582706.db2.gz IJKPTLMUYJUWPP-IRXDYDNUSA-N 2 0 336.455 2.212 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000371137666 465613455 /nfs/dbraw/zinc/61/34/55/465613455.db2.gz BZMRWDHHNXRTNK-MAUKXSAKSA-N 2 0 342.487 2.205 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000361980051 466456599 /nfs/dbraw/zinc/45/65/99/466456599.db2.gz GGQCLOCNFCVYGH-YZGWKJHDSA-N 2 0 332.488 2.276 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488010 466757260 /nfs/dbraw/zinc/75/72/60/466757260.db2.gz DBJUHJQSJGJUAE-YSTOQKLRSA-N 2 0 329.488 2.150 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417105131 466781893 /nfs/dbraw/zinc/78/18/93/466781893.db2.gz GCNZEGQRPAWIBR-GBESFXJTSA-N 2 0 342.487 2.187 10 0 EEAERP O=C(CC1([NH+]2CCOCC2)CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000365413191 466810284 /nfs/dbraw/zinc/81/02/84/466810284.db2.gz XBBZYPGRIRLIMZ-UHFFFAOYSA-N 2 0 349.519 2.155 10 0 EEAERP COCC[N@@H+]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424170457 466995323 /nfs/dbraw/zinc/99/53/23/466995323.db2.gz BAJROXQZVSMLRQ-SFHVURJKSA-N 2 0 339.524 2.245 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418136348 467056671 /nfs/dbraw/zinc/05/66/71/467056671.db2.gz QHJSOSNATLIHJA-NJAFHUGGSA-N 2 0 334.508 2.177 10 0 EEAERP [NH3+]C[C@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccc2ccccc2c1 ZINC000418253765 467085113 /nfs/dbraw/zinc/08/51/13/467085113.db2.gz ZIXUUCHROABPQO-LPHOPBHVSA-N 2 0 349.438 2.419 10 0 EEAERP [NH3+]CCCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418307252 467090509 /nfs/dbraw/zinc/09/05/09/467090509.db2.gz CTGJXKROXLWYQZ-UHFFFAOYSA-N 2 0 330.476 2.033 10 0 EEAERP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418443342 467111456 /nfs/dbraw/zinc/11/14/56/467111456.db2.gz FTCOXEWPRROBCS-QGZVFWFLSA-N 2 0 332.492 2.450 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418450311 467113126 /nfs/dbraw/zinc/11/31/26/467113126.db2.gz LMNMWCPZMNXCFZ-SFHVURJKSA-N 2 0 344.459 2.443 10 0 EEAERP CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418525160 467123764 /nfs/dbraw/zinc/12/37/64/467123764.db2.gz XMAXEUBQADXCRR-SFHVURJKSA-N 2 0 344.503 2.292 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000418595043 467133597 /nfs/dbraw/zinc/13/35/97/467133597.db2.gz NUWCYBASPWFZFK-BDXSIMOUSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418712536 467149037 /nfs/dbraw/zinc/14/90/37/467149037.db2.gz XHZQYHNJDQHVQJ-NBOOPKSLSA-N 2 0 332.492 2.417 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000382753430 467379409 /nfs/dbraw/zinc/37/94/09/467379409.db2.gz DSRBEJUXLREJSO-HKUYNNGSSA-N 2 0 329.488 2.499 10 0 EEAERP CCOC(=O)c1csc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000420365574 467379987 /nfs/dbraw/zinc/37/99/87/467379987.db2.gz FACNXGPBIHEZOT-CYBMUJFWSA-N 2 0 337.489 2.499 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420394444 467394221 /nfs/dbraw/zinc/39/42/21/467394221.db2.gz KPAPLBGQDUMREV-YJBOKZPZSA-N 2 0 341.455 2.137 10 0 EEAERP CCCn1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397511314 467442604 /nfs/dbraw/zinc/44/26/04/467442604.db2.gz MJRZLIVJPGBZMR-UHFFFAOYSA-N 2 0 342.487 2.410 10 0 EEAERP COc1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397629808 467443365 /nfs/dbraw/zinc/44/33/65/467443365.db2.gz MPWPHFYEFIRHHC-UHFFFAOYSA-N 2 0 347.484 2.268 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414930027 467452789 /nfs/dbraw/zinc/45/27/89/467452789.db2.gz ALFKLMGUXZPQFB-VNHYZAJKSA-N 2 0 335.448 2.009 10 0 EEAERP CCOc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)ccc1OC ZINC000415048944 467475788 /nfs/dbraw/zinc/47/57/88/467475788.db2.gz GSUKLMHEVXIDOO-UHFFFAOYSA-N 2 0 347.503 2.400 10 0 EEAERP CC(C)N(C)c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cn1 ZINC000415060477 467478512 /nfs/dbraw/zinc/47/85/12/467478512.db2.gz WYHSQTPCBJXOHZ-UHFFFAOYSA-N 2 0 345.535 2.232 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cn1 ZINC000436472285 467538534 /nfs/dbraw/zinc/53/85/34/467538534.db2.gz ZBVRRMGVAQMYFY-KRWDZBQOSA-N 2 0 340.475 2.043 10 0 EEAERP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245293 467625697 /nfs/dbraw/zinc/62/56/97/467625697.db2.gz ZVJOKPGXONSXQV-LJQANCHMSA-N 2 0 325.541 2.322 10 0 EEAERP COC[C@](C)(O)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449385897 467635174 /nfs/dbraw/zinc/63/51/74/467635174.db2.gz RRSQTEPJCQTKJP-FXAWDEMLSA-N 2 0 334.504 2.459 10 0 EEAERP Cc1cncn1CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000529076106 467804530 /nfs/dbraw/zinc/80/45/30/467804530.db2.gz QLCHCFWDWGPQEO-LJQANCHMSA-N 2 0 326.444 2.362 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000530234758 467966127 /nfs/dbraw/zinc/96/61/27/467966127.db2.gz DHMDHHPUWOTVLV-KRWDZBQOSA-N 2 0 345.512 2.113 10 0 EEAERP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242411 467966863 /nfs/dbraw/zinc/96/68/63/467966863.db2.gz UPKYSDPQKMWEOV-HKUYNNGSSA-N 2 0 343.471 2.030 10 0 EEAERP CC(C)[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000516156618 468015752 /nfs/dbraw/zinc/01/57/52/468015752.db2.gz TWNNSBVIWPAYHO-RVKKMQEKSA-N 2 0 344.459 2.084 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1=O ZINC000578519347 468211034 /nfs/dbraw/zinc/21/10/34/468211034.db2.gz YIFXZPRJGHMJHD-FQEVSTJZSA-N 2 0 325.456 2.456 10 0 EEAERP CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000556797601 468575757 /nfs/dbraw/zinc/57/57/57/468575757.db2.gz POPHXCZFXYCCBI-LJQANCHMSA-N 2 0 347.503 2.105 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000594494871 468609556 /nfs/dbraw/zinc/60/95/56/468609556.db2.gz JQGNBOSKZXRZIU-BEFAXECRSA-N 2 0 345.487 2.076 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000582962539 468623693 /nfs/dbraw/zinc/62/36/93/468623693.db2.gz HIIIXBIBGSPFTG-ROUUACIJSA-N 2 0 344.503 2.375 10 0 EEAERP CCCN1CC[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600751057 468648275 /nfs/dbraw/zinc/64/82/75/468648275.db2.gz ZGSSEMDOXWQVQJ-WUJZJPHMSA-N 2 0 340.508 2.323 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000570617781 468665668 /nfs/dbraw/zinc/66/56/68/468665668.db2.gz WBUKTKQOVJMQTP-CRAIPNDOSA-N 2 0 330.476 2.222 10 0 EEAERP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000560455064 468810485 /nfs/dbraw/zinc/81/04/85/468810485.db2.gz UMYGZRDIRCZPNI-UHFFFAOYSA-N 2 0 342.443 2.697 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000561182299 468872321 /nfs/dbraw/zinc/87/23/21/468872321.db2.gz HWLARKZSBMMPPR-DAXOMENPSA-N 2 0 338.883 2.240 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000561205693 468875538 /nfs/dbraw/zinc/87/55/38/468875538.db2.gz ACNHHKCZEPGCQR-OAHLLOKOSA-N 2 0 335.517 2.418 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000561205691 468875562 /nfs/dbraw/zinc/87/55/62/468875562.db2.gz ACNHHKCZEPGCQR-HNNXBMFYSA-N 2 0 335.517 2.418 10 0 EEAERP COC(=O)c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n2c1CCCC2 ZINC000598638997 468941553 /nfs/dbraw/zinc/94/15/53/468941553.db2.gz FVGZSUIBMHQTRV-LSDHHAIUSA-N 2 0 331.460 2.327 10 0 EEAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@@H]1C ZINC000585130628 468982932 /nfs/dbraw/zinc/98/29/32/468982932.db2.gz WZORXXIZDJKYIL-ZIFCJYIRSA-N 2 0 344.503 2.235 10 0 EEAERP CC[NH+](Cc1cncc(C[N@@H+](CC)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000562539673 468983402 /nfs/dbraw/zinc/98/34/02/468983402.db2.gz RCDRGQYWFCZKCM-OALUTQOASA-N 2 0 333.476 2.303 10 0 EEAERP C[N@H+](CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CCCCC1 ZINC000573090743 469058772 /nfs/dbraw/zinc/05/87/72/469058772.db2.gz XNDGUDGCQSTOFB-OAHLLOKOSA-N 2 0 345.491 2.284 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000625854814 469411362 /nfs/dbraw/zinc/41/13/62/469411362.db2.gz JNDGVJKBZWUDKF-WMLDXEAASA-N 2 0 348.516 2.150 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000603758192 469427507 /nfs/dbraw/zinc/42/75/07/469427507.db2.gz GXUOATLXUBIHML-KZNAEPCWSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000629529413 469573011 /nfs/dbraw/zinc/57/30/11/469573011.db2.gz BYTLZHSUBAVHOD-CYBMUJFWSA-N 2 0 331.229 2.401 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000623340977 469630128 /nfs/dbraw/zinc/63/01/28/469630128.db2.gz ICVFGDYURIQMJH-FQEVSTJZSA-N 3 0 344.547 2.267 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000626946497 469765393 /nfs/dbraw/zinc/76/53/93/469765393.db2.gz RDDSKIMSZGJKMG-LEUOFYLZSA-N 2 0 330.476 2.262 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000626952149 469767538 /nfs/dbraw/zinc/76/75/38/469767538.db2.gz BIGRVNOPEOKORN-HOCLYGCPSA-N 2 0 334.464 2.246 10 0 EEAERP C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+](C)Cc1ccccc1 ZINC000626974179 469773835 /nfs/dbraw/zinc/77/38/35/469773835.db2.gz BMJTUZGADAUSDA-AHRSYUTCSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000623916327 469795968 /nfs/dbraw/zinc/79/59/68/469795968.db2.gz LZVBJKDIZICVBR-CRAIPNDOSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000624101886 469841542 /nfs/dbraw/zinc/84/15/42/469841542.db2.gz DSJVICRHPZZSHH-AWEZNQCLSA-N 2 0 334.451 2.263 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631042164 470054544 /nfs/dbraw/zinc/05/45/44/470054544.db2.gz HFOFGPBCFBVGHE-FGTMMUONSA-N 2 0 349.523 2.162 10 0 EEAERP CO[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000625268411 470108941 /nfs/dbraw/zinc/10/89/41/470108941.db2.gz QIMXHKWQTAZTKH-IBGZPJMESA-N 2 0 337.483 2.471 10 0 EEAERP [NH3+]C/C=C/CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000641861721 470503506 /nfs/dbraw/zinc/50/35/06/470503506.db2.gz DLDLDQFEBRBJBE-SNAWJCMRSA-N 2 0 342.487 2.199 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC/C=C\C[NH3+] ZINC000641869438 470504843 /nfs/dbraw/zinc/50/48/43/470504843.db2.gz ACNCLHTXXMRASN-HPFMTEOYSA-N 2 0 330.476 2.055 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000641870579 470505687 /nfs/dbraw/zinc/50/56/87/470505687.db2.gz WCRDNAZZCZNBEE-BBIZLLLXSA-N 2 0 342.487 2.199 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1CC1CC[NH2+]CC1 ZINC000649322928 470544892 /nfs/dbraw/zinc/54/48/92/470544892.db2.gz WVGXGRNDYJILLR-LJQANCHMSA-N 2 0 341.499 2.443 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000646190769 470560367 /nfs/dbraw/zinc/56/03/67/470560367.db2.gz AARATEBDSATAIN-RBUKOAKNSA-N 2 0 338.455 2.390 10 0 EEAERP CN1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646280086 470589823 /nfs/dbraw/zinc/58/98/23/470589823.db2.gz TUHOADZLVGYQIH-HOCLYGCPSA-N 2 0 335.354 2.192 10 0 EEAERP CN1CC[C@@H](NC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646280087 470589964 /nfs/dbraw/zinc/58/99/64/470589964.db2.gz TUHOADZLVGYQIH-ZBFHGGJFSA-N 2 0 335.354 2.192 10 0 EEAERP O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000647631064 470943329 /nfs/dbraw/zinc/94/33/29/470943329.db2.gz DYUWQMRINTZWBY-ZWKOTPCHSA-N 2 0 342.418 2.190 10 0 EEAERP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc2c1OCCO2 ZINC000650718713 470950159 /nfs/dbraw/zinc/95/01/59/470950159.db2.gz URULODSPAXHBBW-UHFFFAOYSA-N 2 0 332.375 2.354 10 0 EEAERP COc1cccc(CN(C)C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899746 471010112 /nfs/dbraw/zinc/01/01/12/471010112.db2.gz UVJWJLDFFVQUPP-IEBWSBKVSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654532620 471058256 /nfs/dbraw/zinc/05/82/56/471058256.db2.gz YTLULZPRAPODPN-GDAAHCPNSA-N 2 0 344.503 2.146 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000654565109 471073825 /nfs/dbraw/zinc/07/38/25/471073825.db2.gz HUKHGUNXARYPHE-OQIJWPOYSA-N 2 0 344.503 2.289 10 0 EEAERP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638426514 471090045 /nfs/dbraw/zinc/09/00/45/471090045.db2.gz PJOJICINRGESJP-LJQANCHMSA-N 2 0 341.499 2.405 10 0 EEAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@@H](C)O1 ZINC000657367664 471114585 /nfs/dbraw/zinc/11/45/85/471114585.db2.gz RIKGYWBAKJUXSP-CHWSQXEVSA-N 2 0 348.413 2.418 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000654659451 471117228 /nfs/dbraw/zinc/11/72/28/471117228.db2.gz HSTOAOULLBAPCR-QRVBRYPASA-N 2 0 344.503 2.243 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000654658613 471117610 /nfs/dbraw/zinc/11/76/10/471117610.db2.gz SFXDUTJQHIWSKH-HDICACEKSA-N 2 0 336.524 2.234 10 0 EEAERP COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657423789 471132572 /nfs/dbraw/zinc/13/25/72/471132572.db2.gz NIHVUNJSWVLTGB-HNNXBMFYSA-N 2 0 336.395 2.369 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C3(OC)CCC3)cn2)CC1 ZINC000657839331 471239558 /nfs/dbraw/zinc/23/95/58/471239558.db2.gz SFOIESWOJHKQAW-INIZCTEOSA-N 2 0 332.492 2.271 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCn3nccc32)(N2CCCCC2)CC1 ZINC000657893232 471245705 /nfs/dbraw/zinc/24/57/05/471245705.db2.gz QOEGIAFDLHQLQI-QGZVFWFLSA-N 2 0 331.508 2.258 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000652178519 471251204 /nfs/dbraw/zinc/25/12/04/471251204.db2.gz PFLPXUZFLHRNMP-UHFFFAOYSA-N 2 0 332.492 2.327 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657954526 471251786 /nfs/dbraw/zinc/25/17/86/471251786.db2.gz TZDKVHBVEKNLRF-ROUUACIJSA-N 2 0 349.544 2.151 10 0 EEAERP C[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000652238925 471260724 /nfs/dbraw/zinc/26/07/24/471260724.db2.gz UXUHEWIEVZRLCN-SJORKVTESA-N 2 0 344.503 2.420 10 0 EEAERP [NH3+]CC1(CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000652242758 471261163 /nfs/dbraw/zinc/26/11/63/471261163.db2.gz KUHHLYJRMQIEOC-UHFFFAOYSA-N 2 0 336.524 2.413 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000655154531 471274008 /nfs/dbraw/zinc/27/40/08/471274008.db2.gz WRJJJMSBOIOFEJ-NZSAHSFTSA-N 2 0 327.472 2.061 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CNCC23CC(C2)C[NH2+]3)CC1 ZINC000663497061 471401146 /nfs/dbraw/zinc/40/11/46/471401146.db2.gz AQVPCPIQTLMMDU-UHFFFAOYSA-N 2 0 328.504 2.060 10 0 EEAERP O=C(c1ccccc1Cl)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663498133 471401455 /nfs/dbraw/zinc/40/14/55/471401455.db2.gz MEUCSCOOEBAQLZ-UHFFFAOYSA-N 2 0 333.863 2.286 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000663502474 471402324 /nfs/dbraw/zinc/40/23/24/471402324.db2.gz HCUPRXLHTAVYPU-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2ccccc2n1 ZINC000655713196 471453337 /nfs/dbraw/zinc/45/33/37/471453337.db2.gz YGTNJCGAUADGLE-JKSUJKDBSA-N 2 0 327.476 2.153 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659033204 471477070 /nfs/dbraw/zinc/47/70/70/471477070.db2.gz IOTFCEZPXUQFGE-RHSMWYFYSA-N 2 0 334.464 2.199 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000663762996 471506918 /nfs/dbraw/zinc/50/69/18/471506918.db2.gz FONNGJPSGFGIMP-ZWKOTPCHSA-N 2 0 346.519 2.331 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cccn1C1CC[NH2+]CC1 ZINC000669518360 471531444 /nfs/dbraw/zinc/53/14/44/471531444.db2.gz RVZSTYNMYRGRKN-UHFFFAOYSA-N 2 0 342.418 2.450 10 0 EEAERP CCO[C@@H]1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C[C@H]1C[NH3+] ZINC000653247493 471551407 /nfs/dbraw/zinc/55/14/07/471551407.db2.gz DHXSUIIKHBSJIN-RTBURBONSA-N 2 0 347.503 2.353 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669556800 471552660 /nfs/dbraw/zinc/55/26/60/471552660.db2.gz GIKIJYGWDZYEQF-IOEMXKATSA-N 2 0 342.487 2.101 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000660959845 471567214 /nfs/dbraw/zinc/56/72/14/471567214.db2.gz RECFKEHODXCZSL-OKZBNKHCSA-N 2 0 330.476 2.215 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659482675 471649444 /nfs/dbraw/zinc/64/94/44/471649444.db2.gz QGXPJUPTTFBBJN-FDYSRKEFSA-N 2 0 344.503 2.276 10 0 EEAERP C[C@@H](CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1)[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492020 471776841 /nfs/dbraw/zinc/77/68/41/471776841.db2.gz WRRNDPMXZVEFRQ-UHZRXMQZSA-N 2 0 336.520 2.482 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000659973459 471810481 /nfs/dbraw/zinc/81/04/81/471810481.db2.gz PZJSWNQZDVFJPA-XUVXKRRUSA-N 2 0 332.488 2.492 10 0 EEAERP Oc1cccc(CN2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000667573922 471828788 /nfs/dbraw/zinc/82/87/88/471828788.db2.gz UWWXWLOYNHXEMI-UHFFFAOYSA-N 2 0 349.438 2.291 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000661781701 471881948 /nfs/dbraw/zinc/88/19/48/471881948.db2.gz GUCLEOCYEUBYMX-WOJBJXKFSA-N 2 0 347.551 2.137 10 0 EEAERP O=C1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CCCCC1 ZINC000667981064 471970511 /nfs/dbraw/zinc/97/05/11/471970511.db2.gz AROBJRFLIGVPOM-OAHLLOKOSA-N 2 0 339.443 2.291 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000665259426 471983165 /nfs/dbraw/zinc/98/31/65/471983165.db2.gz FTZSUTKIFNJQRU-KBEGMRNHSA-N 2 0 335.467 2.352 10 0 EEAERP CCC1(C)CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665639868 472120529 /nfs/dbraw/zinc/12/05/29/472120529.db2.gz HCRMSOFGLGEXNO-INIZCTEOSA-N 2 0 326.529 2.480 10 0 EEAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662537224 472144133 /nfs/dbraw/zinc/14/41/33/472144133.db2.gz XZLYFWCUFQHPMD-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP COc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])[NH+]2CCCCC2)cc1 ZINC000668602764 472192078 /nfs/dbraw/zinc/19/20/78/472192078.db2.gz KAHMHEJAYSDRHR-JXCVUKRWSA-N 2 0 346.475 2.036 10 0 EEAERP O=C(NCCN1CCc2c(Cl)cccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662811491 472263612 /nfs/dbraw/zinc/26/36/12/472263612.db2.gz YPOYSCDSTHDMCH-UHFFFAOYSA-N 2 0 347.890 2.489 10 0 EEAERP OC[C@]1(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000679043706 485572720 /nfs/dbraw/zinc/57/27/20/485572720.db2.gz JKXLFKGVRLWTIX-NJYVYQBISA-N 2 0 343.515 2.230 10 0 EEAERP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000673962968 485595441 /nfs/dbraw/zinc/59/54/41/485595441.db2.gz XGQZCZQKYYAJHG-OAHLLOKOSA-N 2 0 333.480 2.038 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000674987604 485888407 /nfs/dbraw/zinc/88/84/07/485888407.db2.gz GIMQDODXPLUTFZ-HNNXBMFYSA-N 2 0 342.447 2.367 10 0 EEAERP Cc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)c(N2CCCC2)n1 ZINC000680596590 486015119 /nfs/dbraw/zinc/01/51/19/486015119.db2.gz ADTGXQYFMMOTCG-UHFFFAOYSA-N 2 0 339.443 2.381 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899275 534683416 /nfs/dbraw/zinc/68/34/16/534683416.db2.gz CIBGAZNKTVOUJV-IBGZPJMESA-N 2 0 342.487 2.272 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(OC)ccc1Br ZINC000422935600 536596338 /nfs/dbraw/zinc/59/63/38/536596338.db2.gz LCTLLJXJQFQTBA-GFCCVEGCSA-N 2 0 331.254 2.301 10 0 EEAERP Cc1cc(Br)cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000774993977 577425759 /nfs/dbraw/zinc/42/57/59/577425759.db2.gz UFYNHEUKQXABEC-AWEZNQCLSA-N 2 0 340.309 2.483 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261738511 681780793 /nfs/dbraw/zinc/78/07/93/681780793.db2.gz IELWRLPNANDHFP-NHCUHLMSSA-N 3 0 345.531 2.363 10 0 EEAERP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000895697091 684692089 /nfs/dbraw/zinc/69/20/89/684692089.db2.gz KUMHLHAVBPHERF-GOSISDBHSA-N 2 0 333.476 2.287 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000924691729 693170081 /nfs/dbraw/zinc/17/00/81/693170081.db2.gz HEVLPERPJANTMK-SQGPQFPESA-N 2 0 331.504 2.337 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001485695905 1191903099 /nfs/dbraw/zinc/90/30/99/1191903099.db2.gz PIXVGKJBANTIPL-KKUMJFAQSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714723 1191905982 /nfs/dbraw/zinc/90/59/82/1191905982.db2.gz LVJXBJOPLBQPSD-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)oc1C ZINC001485736649 1191915529 /nfs/dbraw/zinc/91/55/29/1191915529.db2.gz OWLNOUVQMCOOER-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC001485744730 1191919861 /nfs/dbraw/zinc/91/98/61/1191919861.db2.gz NDUUBXKSPIYETQ-BBRMVZONSA-N 2 0 336.480 2.008 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCC1CCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001670470816 1176816210 /nfs/dbraw/zinc/81/62/10/1176816210.db2.gz ZRISPLSZGCTSMM-OALUTQOASA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCCF ZINC001670581306 1176924289 /nfs/dbraw/zinc/92/42/89/1176924289.db2.gz GOKSJCCXMGWHDC-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cccc(Cl)n1 ZINC001691040545 1176961440 /nfs/dbraw/zinc/96/14/40/1176961440.db2.gz NTDPOOCJLMHZQV-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@@H]1CCCC1(F)F ZINC001480886482 1177020898 /nfs/dbraw/zinc/02/08/98/1177020898.db2.gz UNEXQHPGRFQDIB-HNNXBMFYSA-N 2 0 343.462 2.488 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660745 1177079458 /nfs/dbraw/zinc/07/94/58/1177079458.db2.gz RLZMOBVCGLWWTQ-MRXNPFEDSA-N 2 0 341.858 2.164 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001691079155 1177538835 /nfs/dbraw/zinc/53/88/35/1177538835.db2.gz IOIFAFGVEUJDTD-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001266913351 1177787691 /nfs/dbraw/zinc/78/76/91/1177787691.db2.gz FBNCZEFQJGERLW-UHFFFAOYSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001671308958 1178053208 /nfs/dbraw/zinc/05/32/08/1178053208.db2.gz UQYJBILOYGPRPE-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCOC(C)C)C1)[NH+](C)C ZINC001267113795 1178272628 /nfs/dbraw/zinc/27/26/28/1178272628.db2.gz SFBJTXGNQYZTRN-IAGOWNOFSA-N 2 0 327.513 2.065 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001267116380 1178278942 /nfs/dbraw/zinc/27/89/42/1178278942.db2.gz AEFNDKUYZIGLIN-UHFFFAOYSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001267123687 1178291719 /nfs/dbraw/zinc/29/17/19/1178291719.db2.gz WLCNWUFDRCOVAW-YJBOKZPZSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCOc1ccccc1 ZINC001267133394 1178304325 /nfs/dbraw/zinc/30/43/25/1178304325.db2.gz FTGZSQIZKSFTFV-KRWDZBQOSA-N 2 0 345.487 2.178 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CC[C@H]2CCCCO2)cc1 ZINC001480925100 1178519609 /nfs/dbraw/zinc/51/96/09/1178519609.db2.gz BPQIRCVXZRHNFX-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)OC ZINC001691444031 1178824298 /nfs/dbraw/zinc/82/42/98/1178824298.db2.gz HXKBCUPXUGCKPV-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)C[N@H+](C)C1CCC1 ZINC001267384241 1178942561 /nfs/dbraw/zinc/94/25/61/1178942561.db2.gz NZGDYVJUVJVRQD-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1cccc(CCC[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001267384248 1178942812 /nfs/dbraw/zinc/94/28/12/1178942812.db2.gz OCXHIQQIYHYZHI-UHFFFAOYSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1cc(Cl)ccc1C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001267456521 1179038635 /nfs/dbraw/zinc/03/86/35/1179038635.db2.gz ACOMQGUYZAVIFT-UHFFFAOYSA-N 2 0 335.879 2.292 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001267459653 1179047928 /nfs/dbraw/zinc/04/79/28/1179047928.db2.gz XWOFTCKYECQDQR-YLJYHZDGSA-N 2 0 345.531 2.426 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(COC)cc1 ZINC001267473184 1179103758 /nfs/dbraw/zinc/10/37/58/1179103758.db2.gz CGAVVHUYOZPPFF-LJQANCHMSA-N 2 0 347.503 2.255 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@H]1CCC(F)(F)C1 ZINC001480975258 1179408322 /nfs/dbraw/zinc/40/83/22/1179408322.db2.gz MYYLJRAAYLSIME-GOEBONIOSA-N 2 0 343.462 2.202 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC001481072375 1179676203 /nfs/dbraw/zinc/67/62/03/1179676203.db2.gz TWCNGFYDSHGLDU-MJGOQNOKSA-N 2 0 345.462 2.489 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccns3)C2)cn1 ZINC001481098158 1179735533 /nfs/dbraw/zinc/73/55/33/1179735533.db2.gz SAKFLEHHRYLJBD-CQSZACIVSA-N 2 0 347.488 2.021 10 0 EEAERP CC[C@@H](C)C[N@H+](CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C1CC1 ZINC001481169427 1179976319 /nfs/dbraw/zinc/97/63/19/1179976319.db2.gz ODXFOKOAJOVEFC-RDTXWAMCSA-N 2 0 347.507 2.417 10 0 EEAERP CC(C)=CC[NH+]1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267692768 1180179033 /nfs/dbraw/zinc/17/90/33/1180179033.db2.gz KQLGYHUXHMCTCC-SFHVURJKSA-N 2 0 325.472 2.213 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)sn1 ZINC001481246084 1180437135 /nfs/dbraw/zinc/43/71/35/1180437135.db2.gz PGPDNQRVNORKOJ-ZBFHGGJFSA-N 2 0 336.505 2.016 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001267807629 1180560958 /nfs/dbraw/zinc/56/09/58/1180560958.db2.gz ZUEIWJDZMXGTOE-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001267857313 1180641485 /nfs/dbraw/zinc/64/14/85/1180641485.db2.gz XYLIZAAXQITIQL-JMSVASOKSA-N 2 0 344.381 2.340 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)c1C ZINC001481446247 1181367398 /nfs/dbraw/zinc/36/73/98/1181367398.db2.gz FRZLHWFBOVVSFD-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481452728 1181390514 /nfs/dbraw/zinc/39/05/14/1181390514.db2.gz XCXBKXDXXONLSK-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)sn1 ZINC001481508208 1181593589 /nfs/dbraw/zinc/59/35/89/1181593589.db2.gz INHVKZBJXRKIMD-HNNXBMFYSA-N 2 0 338.521 2.072 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379486 1182405066 /nfs/dbraw/zinc/40/50/66/1182405066.db2.gz RRRUDHLIENUEFF-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C1CC[NH+](C)CC1 ZINC001268398293 1182477196 /nfs/dbraw/zinc/47/71/96/1182477196.db2.gz XJYQPUQCCVNUHV-OAHLLOKOSA-N 2 0 342.487 2.494 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)ncn1 ZINC001268402311 1182499008 /nfs/dbraw/zinc/49/90/08/1182499008.db2.gz GIFQECQRNCTDTA-WBVHZDCISA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001481877076 1182855170 /nfs/dbraw/zinc/85/51/70/1182855170.db2.gz ZFLNBJZXZAYSHF-ZIAGYGMSSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268485537 1182958994 /nfs/dbraw/zinc/95/89/94/1182958994.db2.gz FMGABIKSJYHCPJ-JKSUJKDBSA-N 2 0 343.462 2.487 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268486283 1182965969 /nfs/dbraw/zinc/96/59/69/1182965969.db2.gz SBPVKQFNTPQVIG-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268490684 1182982449 /nfs/dbraw/zinc/98/24/49/1182982449.db2.gz GTLNXPPVRNXLLX-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001481974753 1183070340 /nfs/dbraw/zinc/07/03/40/1183070340.db2.gz LVIYJUKNVUXVSX-PKOBYXMFSA-N 2 0 333.520 2.347 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001482019120 1183142723 /nfs/dbraw/zinc/14/27/23/1183142723.db2.gz YLUJAYQFFJTPGO-TVFCKZIOSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268540912 1183208908 /nfs/dbraw/zinc/20/89/08/1183208908.db2.gz BPCHFYWBZARAHF-CHABLROBSA-N 2 0 333.451 2.236 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268567481 1183273892 /nfs/dbraw/zinc/27/38/92/1183273892.db2.gz QHKZIEDDMYBASH-SNAWJCMRSA-N 2 0 347.422 2.343 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001482107020 1183341819 /nfs/dbraw/zinc/34/18/19/1183341819.db2.gz FKBRPAHJOSWFTG-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001482136096 1183443864 /nfs/dbraw/zinc/44/38/64/1183443864.db2.gz OJFPCYWXTZABCT-ZVZYQTTQSA-N 2 0 346.519 2.271 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCOCC1 ZINC001268716722 1183636135 /nfs/dbraw/zinc/63/61/35/1183636135.db2.gz JJPDQNVNNUAZTQ-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001268836974 1183751001 /nfs/dbraw/zinc/75/10/01/1183751001.db2.gz ZDPMSOVNMKNYRW-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP C[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+]1CCCCCC1 ZINC001269124265 1183983055 /nfs/dbraw/zinc/98/30/55/1183983055.db2.gz HSYMGWNNSBOJAK-FPTQRPOBSA-N 2 0 327.900 2.488 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001269607187 1184434937 /nfs/dbraw/zinc/43/49/37/1184434937.db2.gz WVMMXHMIGFODFL-SWLSCSKDSA-N 2 0 334.291 2.274 10 0 EEAERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001269633647 1184459201 /nfs/dbraw/zinc/45/92/01/1184459201.db2.gz COYYDQNSRHCASI-QGZVFWFLSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@](C[NH2+]CCc1cccs1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269644870 1184469142 /nfs/dbraw/zinc/46/91/42/1184469142.db2.gz KCNTZIYAYPWCLS-SFHVURJKSA-N 2 0 347.528 2.261 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235655 1184473872 /nfs/dbraw/zinc/47/38/72/1184473872.db2.gz NVILYEQHZWUGQF-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001482396464 1185610048 /nfs/dbraw/zinc/61/00/48/1185610048.db2.gz LYQVILPHHJEGPW-IBGZPJMESA-N 2 0 343.515 2.445 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)o1 ZINC001482460598 1185924826 /nfs/dbraw/zinc/92/48/26/1185924826.db2.gz KGXHLIZDCZOMLC-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccon2)CC1 ZINC001482462492 1185931671 /nfs/dbraw/zinc/93/16/71/1185931671.db2.gz PEJHGAGLHMCJFM-GOSISDBHSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271161390 1186013197 /nfs/dbraw/zinc/01/31/97/1186013197.db2.gz CXKDQPTYZIBEMH-SMDADKPZSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccns2)C1 ZINC001482485294 1186206234 /nfs/dbraw/zinc/20/62/34/1186206234.db2.gz UNWMBHMFRPTAQP-HUUCEWRRSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC001271425578 1186210617 /nfs/dbraw/zinc/21/06/17/1186210617.db2.gz IIUPRYGJBNLSCI-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271607306 1186334879 /nfs/dbraw/zinc/33/48/79/1186334879.db2.gz DNQYVMWPRFTJJJ-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001671383798 1187009963 /nfs/dbraw/zinc/00/99/63/1187009963.db2.gz FYZIAWLMZHMOFG-QGZVFWFLSA-N 2 0 333.451 2.045 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCC[NH+]2CCCC2)o1 ZINC001482698928 1187668901 /nfs/dbraw/zinc/66/89/01/1187668901.db2.gz UAKVMDDSDLQORV-AEFFLSMTSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001482838495 1187757514 /nfs/dbraw/zinc/75/75/14/1187757514.db2.gz CGMGUWGJEIWKLQ-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)nc1 ZINC001482878553 1187797638 /nfs/dbraw/zinc/79/76/38/1187797638.db2.gz YZQFIDDZCWNSKM-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482930558 1187852071 /nfs/dbraw/zinc/85/20/71/1187852071.db2.gz JDUBRQICQRUJNK-IEBWSBKVSA-N 2 0 344.503 2.345 10 0 EEAERP CCN(CC[NH2+]CCOC(C)C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482950298 1187890020 /nfs/dbraw/zinc/89/00/20/1187890020.db2.gz MGUNNJWFWQGJFI-GOSISDBHSA-N 2 0 345.503 2.062 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F)[NH+](C)C ZINC001483022909 1188012275 /nfs/dbraw/zinc/01/22/75/1188012275.db2.gz LUULYNKAVWAUKB-OSFIAYCASA-N 2 0 333.451 2.415 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CCc2ccccc2F)CC1 ZINC001483071737 1188424230 /nfs/dbraw/zinc/42/42/30/1188424230.db2.gz XNFNYQQOKCGRGL-PLNGDYQASA-N 2 0 347.478 2.362 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001483138320 1188689490 /nfs/dbraw/zinc/68/94/90/1188689490.db2.gz YURHESLQQBEASR-HIFRSBDPSA-N 2 0 336.480 2.014 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCOCC1)c1ccccc1 ZINC001483184502 1189058084 /nfs/dbraw/zinc/05/80/84/1189058084.db2.gz LFYIPJGFIZJXLT-APWZRJJASA-N 2 0 347.503 2.200 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001485895158 1193632873 /nfs/dbraw/zinc/63/28/73/1193632873.db2.gz YBAXBLUJLIRPEK-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474570 1189791642 /nfs/dbraw/zinc/79/16/42/1189791642.db2.gz PSGWMRPNBHOEDX-KGLIPLIRSA-N 2 0 341.446 2.330 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485962385 1193660496 /nfs/dbraw/zinc/66/04/96/1193660496.db2.gz XZIUYKBXTNJFLF-HNNXBMFYSA-N 2 0 330.476 2.445 10 0 EEAERP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001483401287 1190444716 /nfs/dbraw/zinc/44/47/16/1190444716.db2.gz AQFMAABFNFPYMI-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)CN1C(=O)CC[NH+](C)C ZINC001486122818 1193688164 /nfs/dbraw/zinc/68/81/64/1193688164.db2.gz UXFBHXANBWLBGS-DZGCQCFKSA-N 2 0 339.430 2.038 10 0 EEAERP COC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001483761267 1190989216 /nfs/dbraw/zinc/98/92/16/1190989216.db2.gz QPCGHPCOQZSCAY-RDJZCZTQSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001484012824 1191155613 /nfs/dbraw/zinc/15/56/13/1191155613.db2.gz VXXPLGPOPXZVIQ-LJQANCHMSA-N 2 0 344.503 2.250 10 0 EEAERP Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001484123588 1191223005 /nfs/dbraw/zinc/22/30/05/1191223005.db2.gz ZNOLKLFZDROWLH-FQEVSTJZSA-N 2 0 341.499 2.419 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001484376048 1191322597 /nfs/dbraw/zinc/32/25/97/1191322597.db2.gz AVKIKFFRTIDPCA-KBPBESRZSA-N 2 0 337.430 2.355 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001484524018 1191397765 /nfs/dbraw/zinc/39/77/65/1191397765.db2.gz DXLSNZSEEHIJIG-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP C[N@H+](CCC(=O)N1CC[C@H](CC[NH2+]CCF)C1)C1CCCCC1 ZINC001484532113 1191401095 /nfs/dbraw/zinc/40/10/95/1191401095.db2.gz MIQREWZJXTXJTI-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484536650 1191403999 /nfs/dbraw/zinc/40/39/99/1191403999.db2.gz SOUOTYSOKCTLML-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484536606 1191404111 /nfs/dbraw/zinc/40/41/11/1191404111.db2.gz ACTVAUCHNMKENO-QAPCUYQASA-N 2 0 345.478 2.387 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001484574785 1191427593 /nfs/dbraw/zinc/42/75/93/1191427593.db2.gz IRAPBFBOIPAPHI-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001484662736 1191462640 /nfs/dbraw/zinc/46/26/40/1191462640.db2.gz SQEYJDIPXAUHQD-HNNXBMFYSA-N 2 0 348.491 2.187 10 0 EEAERP CCC/C=C\CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001484871251 1191556357 /nfs/dbraw/zinc/55/63/57/1191556357.db2.gz VTVFYQVJJIAACG-PLNGDYQASA-N 2 0 349.519 2.084 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001484925989 1191573198 /nfs/dbraw/zinc/57/31/98/1191573198.db2.gz DHJZWTRAMQLKIN-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CCN2CCOCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001484979313 1191605770 /nfs/dbraw/zinc/60/57/70/1191605770.db2.gz FQDIJZNWMJXZTO-IEBWSBKVSA-N 2 0 349.519 2.178 10 0 EEAERP CC[N@H+](CC[C@H](C)F)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001485033551 1191625848 /nfs/dbraw/zinc/62/58/48/1191625848.db2.gz LONGAGUPDSYQCT-RDJZCZTQSA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001485067469 1191635467 /nfs/dbraw/zinc/63/54/67/1191635467.db2.gz OMNHPRGFGSFELI-BZSNNMDCSA-N 2 0 339.524 2.065 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1)C1CCC1 ZINC001485094483 1191653484 /nfs/dbraw/zinc/65/34/84/1191653484.db2.gz SKXAHCVVYOLNJF-UHFFFAOYSA-N 2 0 329.435 2.000 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001485108303 1191656984 /nfs/dbraw/zinc/65/69/84/1191656984.db2.gz LKPIVJFHEXWWJG-ACBHZAAOSA-N 2 0 331.504 2.300 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147774 1191665510 /nfs/dbraw/zinc/66/55/10/1191665510.db2.gz QOTVCYKEGPGSLO-CABCVRRESA-N 2 0 347.507 2.032 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001485185354 1191680535 /nfs/dbraw/zinc/68/05/35/1191680535.db2.gz DGINVOBXCSRPBN-CHWSQXEVSA-N 2 0 339.430 2.289 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001485209982 1191694611 /nfs/dbraw/zinc/69/46/11/1191694611.db2.gz LUQHYFTYRLRENT-DLBZAZTESA-N 2 0 347.503 2.089 10 0 EEAERP Cc1cccc(C)c1OCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485285259 1191716916 /nfs/dbraw/zinc/71/69/16/1191716916.db2.gz BCUCBVOKAWSIIF-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485312867 1191729835 /nfs/dbraw/zinc/72/98/35/1191729835.db2.gz JCEXIAXGJDTNRX-CRAIPNDOSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC001485337060 1191741142 /nfs/dbraw/zinc/74/11/42/1191741142.db2.gz RKJZDJBXMRTIEC-SJLPKXTDSA-N 2 0 347.503 2.031 10 0 EEAERP COCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001486236120 1193762013 /nfs/dbraw/zinc/76/20/13/1193762013.db2.gz MLVANKUIMXENQK-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1 ZINC001486248787 1193775657 /nfs/dbraw/zinc/77/56/57/1193775657.db2.gz YJFYWLYMKSRSAI-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(C)(C)C ZINC001486359294 1193844882 /nfs/dbraw/zinc/84/48/82/1193844882.db2.gz TZRLYNVXRZLXJH-IRXDYDNUSA-N 2 0 341.540 2.048 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](NC(=O)Cn2cncc2C)C(C)(C)C)n1 ZINC001486405950 1193930291 /nfs/dbraw/zinc/93/02/91/1193930291.db2.gz RLLSCCDTBICRAK-CQSZACIVSA-N 2 0 349.504 2.277 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001272994100 1194302064 /nfs/dbraw/zinc/30/20/64/1194302064.db2.gz WVTZRLJWWOADNB-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCCC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000828070217 1195692868 /nfs/dbraw/zinc/69/28/68/1195692868.db2.gz AJXKBFZFCPKTEN-HNNXBMFYSA-N 2 0 338.883 2.281 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1)C1CCC1 ZINC001410196661 1197598268 /nfs/dbraw/zinc/59/82/68/1197598268.db2.gz MLBDLLRUEATRTO-WVFDAVJHSA-N 2 0 339.911 2.440 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)[NH2+]C[C@@H]1CCOC1 ZINC001410426513 1197864925 /nfs/dbraw/zinc/86/49/25/1197864925.db2.gz LDVWYZSFAPGUGG-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000872032474 1198032504 /nfs/dbraw/zinc/03/25/04/1198032504.db2.gz UULWYSWXECNZTF-RBUKOAKNSA-N 2 0 347.503 2.273 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410501745 1198056571 /nfs/dbraw/zinc/05/65/71/1198056571.db2.gz RABJCTWTEYXNOM-YJBOKZPZSA-N 2 0 346.519 2.402 10 0 EEAERP Cc1csc([C@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000872150319 1198057267 /nfs/dbraw/zinc/05/72/67/1198057267.db2.gz ZNJPVIAVPYEYKZ-ULQDDVLXSA-N 2 0 331.485 2.172 10 0 EEAERP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H](N)C[NH+](C)C)n2)cc1 ZINC000872178904 1198074727 /nfs/dbraw/zinc/07/47/27/1198074727.db2.gz VJHZYDDACILGNL-INIZCTEOSA-N 2 0 347.463 2.019 10 0 EEAERP C[C@@H]1CCCC[C@H]1NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865245198 1198138441 /nfs/dbraw/zinc/13/84/41/1198138441.db2.gz HNQGQRSIPSLZFP-QBPKDAKJSA-N 2 0 340.581 2.111 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC(F)(F)F)CC2 ZINC001410914021 1198569001 /nfs/dbraw/zinc/56/90/01/1198569001.db2.gz QTBDDXLKLVJIPR-DZGCQCFKSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)cn1 ZINC001410970114 1198647757 /nfs/dbraw/zinc/64/77/57/1198647757.db2.gz CUDQZOSYTHJLFC-NVXWUHKLSA-N 2 0 347.507 2.014 10 0 EEAERP COCC[N@@H+](Cc1cc(C(F)(F)F)nn1C)CC1CC[NH+](C)CC1 ZINC000877664206 1200015104 /nfs/dbraw/zinc/01/51/04/1200015104.db2.gz JTNQPOSVMUCLIM-UHFFFAOYSA-N 2 0 348.413 2.229 10 0 EEAERP CC[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018325 1200409449 /nfs/dbraw/zinc/40/94/49/1200409449.db2.gz YUIXIURXQWJYRT-BFHYXJOUSA-N 2 0 337.430 2.163 10 0 EEAERP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870860636 1200917313 /nfs/dbraw/zinc/91/73/13/1200917313.db2.gz OJUZUAPVXUKIJL-AWEZNQCLSA-N 2 0 340.265 2.049 10 0 EEAERP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870946947 1200971122 /nfs/dbraw/zinc/97/11/22/1200971122.db2.gz LZLRHWMBHMQWFA-GWCFXTLKSA-N 2 0 328.254 2.083 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925482708 1202287186 /nfs/dbraw/zinc/28/71/86/1202287186.db2.gz SWBDIKLZQRVRMF-NWANDNLSSA-N 2 0 339.505 2.151 10 0 EEAERP C[C@@H](Cn1cncn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886516430 1202517236 /nfs/dbraw/zinc/51/72/36/1202517236.db2.gz HNIJJLSKPRVJJQ-KANFNMMFSA-N 2 0 325.460 2.309 10 0 EEAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000886515575 1202517327 /nfs/dbraw/zinc/51/73/27/1202517327.db2.gz PJGCRAIUJVLDKE-UHFFFAOYSA-N 2 0 345.487 2.437 10 0 EEAERP Cc1cnc2cc(C(=O)NC/C=C\C[NH2+]Cc3ncccc3C)ccn12 ZINC001274025757 1204331969 /nfs/dbraw/zinc/33/19/69/1204331969.db2.gz MODCTJWNXIQISW-ARJAWSKDSA-N 2 0 349.438 2.422 10 0 EEAERP CCOCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001274028325 1204334015 /nfs/dbraw/zinc/33/40/15/1204334015.db2.gz SPONVJIWAQMGPV-IBGZPJMESA-N 2 0 345.487 2.139 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1F ZINC001274132428 1204393156 /nfs/dbraw/zinc/39/31/56/1204393156.db2.gz AIVFCWQNCIBMFP-CWIOURORSA-N 2 0 337.414 2.211 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001274271435 1204982259 /nfs/dbraw/zinc/98/22/59/1204982259.db2.gz UHAIETOETYXJBN-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001275638365 1205457459 /nfs/dbraw/zinc/45/74/59/1205457459.db2.gz AUTRVQRAEQBOTR-UHFFFAOYSA-N 2 0 347.503 2.367 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001411870588 1205565245 /nfs/dbraw/zinc/56/52/45/1205565245.db2.gz VFPJJXNFBULHMK-QZTJIDSGSA-N 2 0 333.451 2.153 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924656972 1206012569 /nfs/dbraw/zinc/01/25/69/1206012569.db2.gz DXEPZCZBRXRGRY-UYAOXDASSA-N 2 0 347.551 2.057 10 0 EEAERP C[C@H](C[NH2+][C@@H]1COCc2cccc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000924952268 1206054838 /nfs/dbraw/zinc/05/48/38/1206054838.db2.gz WTCVIXAIUDFYTB-RHSMWYFYSA-N 2 0 337.895 2.384 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000925514577 1206121535 /nfs/dbraw/zinc/12/15/35/1206121535.db2.gz NEVQGDXCJHVUTH-QRVBRYPASA-N 2 0 331.504 2.383 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676771 1206142830 /nfs/dbraw/zinc/14/28/30/1206142830.db2.gz LPAIDFFUIWFFAI-QYZOEREBSA-N 2 0 329.488 2.389 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925734109 1206147684 /nfs/dbraw/zinc/14/76/84/1206147684.db2.gz NJVQMATYKFGZRN-PNBKFKSVSA-N 2 0 336.501 2.487 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)CO2)CC[NH2+]CC1 ZINC000925773244 1206152807 /nfs/dbraw/zinc/15/28/07/1206152807.db2.gz AZFPBXCKBLMONB-CVEARBPZSA-N 2 0 338.492 2.247 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839132 1206158861 /nfs/dbraw/zinc/15/88/61/1206158861.db2.gz GDKKNGNLNWLAHE-MTFMMBMASA-N 3 0 327.472 2.364 10 0 EEAERP C(CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)CCN1CC[NH2+]CC1 ZINC000925846844 1206159756 /nfs/dbraw/zinc/15/97/56/1206159756.db2.gz YAEZXSYXLJCQEO-OAGGEKHMSA-N 2 0 329.579 2.031 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(OC)c1 ZINC000925859331 1206162071 /nfs/dbraw/zinc/16/20/71/1206162071.db2.gz XRDFOXWDQCEGTN-DZGCQCFKSA-N 2 0 348.443 2.040 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925915764 1206167665 /nfs/dbraw/zinc/16/76/65/1206167665.db2.gz GJZONKNRWBCQDX-ZWKOTPCHSA-N 2 0 347.507 2.199 10 0 EEAERP CCCCN(C)c1ccc(NC(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC000926033066 1206183858 /nfs/dbraw/zinc/18/38/58/1206183858.db2.gz UFROSSXGBCDDMK-UHFFFAOYSA-N 2 0 347.507 2.468 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926759589 1206241611 /nfs/dbraw/zinc/24/16/11/1206241611.db2.gz HDJRNVUWALQVIC-VTHDOGFWSA-N 2 0 343.515 2.492 10 0 EEAERP COc1ccc2c(c1)C[C@H](C[N@@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]31)O2 ZINC000930060432 1206532201 /nfs/dbraw/zinc/53/22/01/1206532201.db2.gz MGZRPMJMXILLJL-PHXBYCTMSA-N 2 0 346.471 2.182 10 0 EEAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000930439288 1206557833 /nfs/dbraw/zinc/55/78/33/1206557833.db2.gz JAPKNAOAXRYTBU-MRXNPFEDSA-N 2 0 327.428 2.162 10 0 EEAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000718009696 1211700819 /nfs/dbraw/zinc/70/08/19/1211700819.db2.gz BUMXJCOFVGRIPT-QGZVFWFLSA-N 2 0 342.487 2.488 10 0 EEAERP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC000900538942 1234458433 /nfs/dbraw/zinc/45/84/33/1234458433.db2.gz UWYBCMJBBQNPMQ-PKOBYXMFSA-N 2 0 345.487 2.260 10 0 EEAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000903736974 1241778499 /nfs/dbraw/zinc/77/84/99/1241778499.db2.gz ODPSFUFDTPBTHB-ZCNNSNEGSA-N 3 0 335.536 2.343 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000903940839 1242607133 /nfs/dbraw/zinc/60/71/33/1242607133.db2.gz FTBBIYUSPPJDLU-UHFFFAOYSA-N 2 0 346.500 2.101 10 0 EEAERP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903963857 1242753582 /nfs/dbraw/zinc/75/35/82/1242753582.db2.gz HWYOOSOGASKNME-JTNHKYCSSA-N 2 0 345.365 2.500 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](C/C=C/Cl)CC[C@H]21 ZINC001490984916 1258541455 /nfs/dbraw/zinc/54/14/55/1258541455.db2.gz VGGFAPYVJVMNMY-IBBQAADRSA-N 2 0 327.900 2.394 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491280567 1258885893 /nfs/dbraw/zinc/88/58/93/1258885893.db2.gz HFPYMQXSQKCBJY-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491297337 1258914241 /nfs/dbraw/zinc/91/42/41/1258914241.db2.gz HXHUGMYDOJELEX-FUHWJXTLSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)co1 ZINC001491352724 1258984670 /nfs/dbraw/zinc/98/46/70/1258984670.db2.gz YEYGRVFRZXMOPF-HTWSVDAQSA-N 2 0 348.491 2.374 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001491454986 1259097501 /nfs/dbraw/zinc/09/75/01/1259097501.db2.gz NIXOZZKMKRLSKZ-APWZRJJASA-N 2 0 346.519 2.220 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+][C@@H](C)c1cnccn1 ZINC001491507116 1259157672 /nfs/dbraw/zinc/15/76/72/1259157672.db2.gz SBMVFJHWKNZKLP-GJZGRUSLSA-N 2 0 347.507 2.285 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)C1 ZINC000850508001 1277254324 /nfs/dbraw/zinc/25/43/24/1277254324.db2.gz JNOSBJLWKBXHME-OALUTQOASA-N 2 0 330.472 2.302 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001273909400 1289774912 /nfs/dbraw/zinc/77/49/12/1289774912.db2.gz FAJQSVPYPCUNPY-MLMMWPPISA-N 2 0 349.425 2.308 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1F ZINC001495049229 1290154123 /nfs/dbraw/zinc/15/41/23/1290154123.db2.gz IEDYADYNSCIYTP-ZDUSSCGKSA-N 2 0 329.847 2.415 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001488879311 1290272722 /nfs/dbraw/zinc/27/27/22/1290272722.db2.gz AHVWQRWKJHMTES-QAQDUYKDSA-N 2 0 333.476 2.020 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001488961064 1290280966 /nfs/dbraw/zinc/28/09/66/1290280966.db2.gz DICNLJRSQSWZSO-FUHWJXTLSA-N 2 0 332.492 2.106 10 0 EEAERP C[N@H+](CCCF)C[C@@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001489330395 1290514075 /nfs/dbraw/zinc/51/40/75/1290514075.db2.gz KNIIFCPTPMFLCA-WMZOPIPTSA-N 2 0 325.472 2.145 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)cn1 ZINC001490281842 1291111317 /nfs/dbraw/zinc/11/13/17/1291111317.db2.gz OBIFWZGMRFHJQF-KRWDZBQOSA-N 2 0 347.507 2.160 10 0 EEAERP Cc1nc(C)c(C[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)o1 ZINC001490372327 1291257371 /nfs/dbraw/zinc/25/73/71/1291257371.db2.gz NXSZCRNRMNWZDU-RHSMWYFYSA-N 2 0 348.491 2.102 10 0 EEAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC2CC2)CC1 ZINC001490616444 1291527086 /nfs/dbraw/zinc/52/70/86/1291527086.db2.gz GSKMSLDEBWRYSZ-IBGZPJMESA-N 2 0 333.520 2.441 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC ZINC000851813520 1291854922 /nfs/dbraw/zinc/85/49/22/1291854922.db2.gz UUZZKRIXQILVTF-SCTDSRPQSA-N 2 0 340.508 2.277 10 0 EEAERP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C(C)(C)CN2CCCC2)C1 ZINC000852149493 1292015659 /nfs/dbraw/zinc/01/56/59/1292015659.db2.gz RCQASPZPOWSCSS-OAHLLOKOSA-N 2 0 341.496 2.086 10 0 EEAERP CN(CCCN1CCO[C@@H](CCC[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000852760218 1292189624 /nfs/dbraw/zinc/18/96/24/1292189624.db2.gz CIFHMGOAVUXZMV-INIZCTEOSA-N 2 0 343.512 2.286 10 0 EEAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852858340 1292217549 /nfs/dbraw/zinc/21/75/49/1292217549.db2.gz ZDFWNMWBRBQKFG-UHFFFAOYSA-N 2 0 327.472 2.339 10 0 EEAERP CCc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549941 1296329046 /nfs/dbraw/zinc/32/90/46/1296329046.db2.gz UXVVRAJRHXTKDV-MSOLQXFVSA-N 2 0 329.444 2.006 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001277334778 1302475282 /nfs/dbraw/zinc/47/52/82/1302475282.db2.gz APOSWAMUTZQPPI-ZFWWWQNUSA-N 2 0 338.521 2.168 10 0 EEAERP CCOCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001277434716 1302999704 /nfs/dbraw/zinc/99/97/04/1302999704.db2.gz FWCPACZGDVXESZ-UHFFFAOYSA-N 2 0 347.503 2.321 10 0 EEAERP CC[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000697079328 1304315001 /nfs/dbraw/zinc/31/50/01/1304315001.db2.gz JGKWEFGKFFQDTI-UHFFFAOYSA-N 2 0 341.496 2.134 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491561562 1304780611 /nfs/dbraw/zinc/78/06/11/1304780611.db2.gz YWRBOJPVEHDLLF-APWZRJJASA-N 2 0 344.503 2.473 10 0 EEAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001278411532 1310135539 /nfs/dbraw/zinc/13/55/39/1310135539.db2.gz SGFAWSCDBJPDLC-SDKBWNRFSA-N 2 0 337.508 2.033 10 0 EEAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCOCc1ccccc1 ZINC001278520036 1317127112 /nfs/dbraw/zinc/12/71/12/1317127112.db2.gz BSODZGNZNMPVQV-HKUYNNGSSA-N 2 0 347.503 2.124 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001278705834 1317805021 /nfs/dbraw/zinc/80/50/21/1317805021.db2.gz ZOQHEYQKVSJPJS-ZIAGYGMSSA-N 2 0 349.441 2.497 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001263875222 1322544737 /nfs/dbraw/zinc/54/47/37/1322544737.db2.gz KKFRPYWJJDTRAB-DWRORGKVSA-N 2 0 349.519 2.057 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001263933188 1322556320 /nfs/dbraw/zinc/55/63/20/1322556320.db2.gz PAZQUAVWOOHOPM-KSZLIROESA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cc(C)no1 ZINC001264067879 1322604479 /nfs/dbraw/zinc/60/44/79/1322604479.db2.gz VFYONPSJWKERCL-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001264436402 1322701557 /nfs/dbraw/zinc/70/15/57/1322701557.db2.gz AUWWYNNFANCTEQ-IYARVYRRSA-N 2 0 349.519 2.082 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001264753457 1322808679 /nfs/dbraw/zinc/80/86/79/1322808679.db2.gz IPMDNZLRJLGLJC-KRWDZBQOSA-N 2 0 341.540 2.218 10 0 EEAERP CN(C)c1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265022910 1322866733 /nfs/dbraw/zinc/86/67/33/1322866733.db2.gz PDSRUPXXSDJMJP-IBGZPJMESA-N 2 0 346.519 2.175 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+](Cc2ccc(F)cn2)C2CC2)C1 ZINC001265180959 1322972260 /nfs/dbraw/zinc/97/22/60/1322972260.db2.gz IFKBOOGMHMXRNH-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001265905178 1323474631 /nfs/dbraw/zinc/47/46/31/1323474631.db2.gz CIIYIZOHNMMWHV-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)CC1CC(F)(F)C1 ZINC001265978391 1323538471 /nfs/dbraw/zinc/53/84/71/1323538471.db2.gz LURMTVHTKLJPAC-UHFFFAOYSA-N 2 0 331.451 2.346 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cc(C)no1 ZINC001266111762 1323678905 /nfs/dbraw/zinc/67/89/05/1323678905.db2.gz AAMVGNGUWCKOPA-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cc(C[N@H+](CCCNC(=O)C(C)(C)[NH+]2CCCC2)C2CC2)on1 ZINC001266151585 1323721579 /nfs/dbraw/zinc/72/15/79/1323721579.db2.gz DSTFTVVKHQXACJ-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266173306 1323741377 /nfs/dbraw/zinc/74/13/77/1323741377.db2.gz YKEAKFFKVXIRMF-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP CCC1([NH2+]CCOC2CCC2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001281049601 1324744265 /nfs/dbraw/zinc/74/42/65/1324744265.db2.gz GNLUJPKDVXBDNX-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001281882296 1325498148 /nfs/dbraw/zinc/49/81/48/1325498148.db2.gz WVTZRLJWWOADNB-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001282014910 1325570298 /nfs/dbraw/zinc/57/02/98/1325570298.db2.gz OTVMMHIPGKVIAE-UHFFFAOYSA-N 2 0 334.291 2.274 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282334566 1325694199 /nfs/dbraw/zinc/69/41/99/1325694199.db2.gz DVFWWZLMDAJSGH-GOSISDBHSA-N 2 0 331.504 2.255 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001282636653 1325755856 /nfs/dbraw/zinc/75/58/56/1325755856.db2.gz RIIGNZBVEHWIMW-IAGOWNOFSA-N 2 0 339.524 2.304 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NCC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC001282894148 1325825560 /nfs/dbraw/zinc/82/55/60/1325825560.db2.gz JPPHTHXSCIGOSX-QBZJXAITSA-N 2 0 339.911 2.299 10 0 EEAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929537 1325839613 /nfs/dbraw/zinc/83/96/13/1325839613.db2.gz RVBXZJYSVIVDCI-PJHKVULZSA-N 2 0 349.519 2.034 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283545538 1326124235 /nfs/dbraw/zinc/12/42/35/1326124235.db2.gz XPSTXYCXESTUIF-NVXWUHKLSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCCC(F)(F)F ZINC001283681816 1326199416 /nfs/dbraw/zinc/19/94/16/1326199416.db2.gz YZVJFVMMRLSITP-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001284651915 1326646902 /nfs/dbraw/zinc/64/69/02/1326646902.db2.gz COURZQRUQHSXNH-SJORKVTESA-N 2 0 339.524 2.041 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001284927178 1326779311 /nfs/dbraw/zinc/77/93/11/1326779311.db2.gz AKKYYLQZLBARKI-OALUTQOASA-N 2 0 349.519 2.178 10 0 EEAERP Cc1cc(NC(=O)[C@H](C)CC[NH+](C)C)ccc1N1CC[NH+](C)CC1 ZINC001290526725 1328217233 /nfs/dbraw/zinc/21/72/33/1328217233.db2.gz BCUZAONXQMHARU-OAHLLOKOSA-N 2 0 332.492 2.273 10 0 EEAERP C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCNC(=O)Cn1ccnc1 ZINC001316868754 1331796166 /nfs/dbraw/zinc/79/61/66/1331796166.db2.gz LCSZFLMCACVUJU-ZDUSSCGKSA-N 2 0 336.386 2.361 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H]1CCC(F)(F)C1 ZINC001316886730 1331952580 /nfs/dbraw/zinc/95/25/80/1331952580.db2.gz IVGAWRFVDAASTD-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC[C@@H](C)F ZINC001316896580 1331963073 /nfs/dbraw/zinc/96/30/73/1331963073.db2.gz VVXIDNZRUVJGNH-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001316992255 1332034018 /nfs/dbraw/zinc/03/40/18/1332034018.db2.gz XWXDYMXOBSTJBD-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCF)C2)CC1 ZINC001317361840 1332195402 /nfs/dbraw/zinc/19/54/02/1332195402.db2.gz WLJBOQNYEKSIOX-DLBZAZTESA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@@H+](C)C2CCC2)no1 ZINC001317424278 1332227791 /nfs/dbraw/zinc/22/77/91/1332227791.db2.gz PQALDRPBVIBUKJ-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCOCC1)[NH+](C)C ZINC001317434492 1332238021 /nfs/dbraw/zinc/23/80/21/1332238021.db2.gz INZVGAZAXRXWNO-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317572444 1332303504 /nfs/dbraw/zinc/30/35/04/1332303504.db2.gz GFFBHEOPYIENMU-SFHVURJKSA-N 2 0 347.503 2.461 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317584387 1332308708 /nfs/dbraw/zinc/30/87/08/1332308708.db2.gz DLMFASOQHYPCPO-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC001317665077 1332359191 /nfs/dbraw/zinc/35/91/91/1332359191.db2.gz NVUYTPQFNSYRBS-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001317680783 1332367931 /nfs/dbraw/zinc/36/79/31/1332367931.db2.gz DGTKGXTYFUCDAC-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001317688298 1332374786 /nfs/dbraw/zinc/37/47/86/1332374786.db2.gz CWKWZJSTJRFTPJ-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001318365506 1332516928 /nfs/dbraw/zinc/51/69/28/1332516928.db2.gz CKUOGLQVTATSSW-QGZVFWFLSA-N 2 0 333.476 2.118 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC001318442737 1332534960 /nfs/dbraw/zinc/53/49/60/1332534960.db2.gz MNYUCJYYMRKZKT-HNNXBMFYSA-N 2 0 338.883 2.110 10 0 EEAERP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCOCC(C)C)C1 ZINC001318478429 1332547598 /nfs/dbraw/zinc/54/75/98/1332547598.db2.gz KMDDUUVMTRXEDD-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2conc2C)C1 ZINC001318851592 1332611586 /nfs/dbraw/zinc/61/15/86/1332611586.db2.gz TXLYAAJINJGZBY-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001318854021 1332611790 /nfs/dbraw/zinc/61/17/90/1332611790.db2.gz GSDFXROXSOKYBL-KRWDZBQOSA-N 2 0 327.488 2.440 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1Cl ZINC001319283554 1332675288 /nfs/dbraw/zinc/67/52/88/1332675288.db2.gz RWXHFVOKUXXZSH-ZBFHGGJFSA-N 2 0 337.895 2.176 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1Cl ZINC001319283552 1332675470 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343.462 2.202 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1F ZINC001321199760 1333042748 /nfs/dbraw/zinc/04/27/48/1333042748.db2.gz KAZGPTSYJZOKLO-CHYADLBTSA-N 2 0 349.450 2.081 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC001321224716 1333049078 /nfs/dbraw/zinc/04/90/78/1333049078.db2.gz UPMVERHJRUTOHG-AWFCHZOYSA-N 2 0 329.488 2.450 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001322544946 1333280172 /nfs/dbraw/zinc/28/01/72/1333280172.db2.gz ZNWVDYBBJPUZGL-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001322667871 1333304563 /nfs/dbraw/zinc/30/45/63/1333304563.db2.gz KSOIZJDCKRPHFK-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001322693324 1333308834 /nfs/dbraw/zinc/30/88/34/1333308834.db2.gz FPNZMSDZUWDZSL-INIZCTEOSA-N 2 0 349.523 2.052 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 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OQLMHPKTJAQJBU-AAIAPFPOSA-N 2 0 341.499 2.480 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001324826259 1333768145 /nfs/dbraw/zinc/76/81/45/1333768145.db2.gz OQLMHPKTJAQJBU-VHYTVVJZSA-N 2 0 341.499 2.480 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCCCCF)C[C@H]21)[NH+](C)C ZINC001325956038 1334006599 /nfs/dbraw/zinc/00/65/99/1334006599.db2.gz OZEDLMWGIARREE-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001326299741 1334062472 /nfs/dbraw/zinc/06/24/72/1334062472.db2.gz ASAQJZNDHDQEBE-FUHWJXTLSA-N 2 0 348.491 2.123 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001326351131 1334074331 /nfs/dbraw/zinc/07/43/31/1334074331.db2.gz FSZOAJJPINBBRC-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001326411406 1334087809 /nfs/dbraw/zinc/08/78/09/1334087809.db2.gz KZGLRRFRKGYVKP-LJQANCHMSA-N 2 0 341.499 2.153 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001326566385 1334116416 /nfs/dbraw/zinc/11/64/16/1334116416.db2.gz KDRAXAGTYQNZNB-XSLAGTTESA-N 2 0 339.524 2.160 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001327174170 1334240725 /nfs/dbraw/zinc/24/07/25/1334240725.db2.gz XVAJQRQAUZZVKG-SFHVURJKSA-N 2 0 339.524 2.260 10 0 EEAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001330431646 1334843457 /nfs/dbraw/zinc/84/34/57/1334843457.db2.gz UQDWCFITZTYKGR-AEFFLSMTSA-N 2 0 349.519 2.034 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001330766470 1334898057 /nfs/dbraw/zinc/89/80/57/1334898057.db2.gz AAXYWVDWHQLJAR-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CCn1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001330902795 1334924327 /nfs/dbraw/zinc/92/43/27/1334924327.db2.gz WSSOMVKXKYQIOP-ULQDDVLXSA-N 2 0 349.523 2.008 10 0 EEAERP Cc1nccn1CC(=O)N(C)[C@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001331355385 1335001867 /nfs/dbraw/zinc/00/18/67/1335001867.db2.gz PNWOUQZITFQESE-QGZVFWFLSA-N 2 0 346.500 2.322 10 0 EEAERP CC[C@@H](C[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1)OC ZINC001333407031 1336037961 /nfs/dbraw/zinc/03/79/61/1336037961.db2.gz SSMMSGKZUMYONN-KRWDZBQOSA-N 2 0 339.524 2.138 10 0 EEAERP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001333416424 1336039743 /nfs/dbraw/zinc/03/97/43/1336039743.db2.gz HJEPSCLSQSVDFR-IRXDYDNUSA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](C)[NH+](C)C ZINC001434631727 1341891855 /nfs/dbraw/zinc/89/18/55/1341891855.db2.gz JYUZXUDLMQJIAR-QAETUUGQSA-N 2 0 348.539 2.415 10 0 EEAERP Cc1cncn1CC(=O)N(C)C[C@H]1CCN1Cc1cc(C)ccc1F ZINC001436312273 1342020192 /nfs/dbraw/zinc/02/01/92/1342020192.db2.gz JGLIDFSNMHVQLU-QGZVFWFLSA-N 2 0 344.434 2.372 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOC(C)C)C1 ZINC001436324209 1342028014 /nfs/dbraw/zinc/02/80/14/1342028014.db2.gz COEGFSTYSBYSCZ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436380654 1342061466 /nfs/dbraw/zinc/06/14/66/1342061466.db2.gz UULLWGVBYQDYET-XIRDDKMYSA-N 2 0 348.491 2.096 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001566955808 1342660170 /nfs/dbraw/zinc/66/01/70/1342660170.db2.gz QKVBAKCJFVIWGD-ROUUACIJSA-N 2 0 348.491 2.074 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1)C1CCC1 ZINC001567128883 1342697643 /nfs/dbraw/zinc/69/76/43/1342697643.db2.gz XAIIIODQKLPFSU-OAHLLOKOSA-N 2 0 335.517 2.213 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001676002613 1357086138 /nfs/dbraw/zinc/08/61/38/1357086138.db2.gz WHJOFVGBEYLJDR-XJKSGUPXSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1ccccc1OCC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001567580414 1342786760 /nfs/dbraw/zinc/78/67/60/1342786760.db2.gz YOTHHLYMEXPHPW-UHFFFAOYSA-N 2 0 347.503 2.154 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nocc1C ZINC001676022024 1357090698 /nfs/dbraw/zinc/09/06/98/1357090698.db2.gz BOWGUYOINWDSHF-WBVHZDCISA-N 2 0 336.480 2.232 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)C[C@H]2CCCCO2)C1 ZINC001567742364 1342830863 /nfs/dbraw/zinc/83/08/63/1342830863.db2.gz MSNYFVCGRRNSJA-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001570393942 1343063760 /nfs/dbraw/zinc/06/37/60/1343063760.db2.gz SQRKBDROLPXCKY-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571257935 1343170692 /nfs/dbraw/zinc/17/06/92/1343170692.db2.gz UTEZTWWZBFBTLD-CKEIUWERSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001571416426 1343207529 /nfs/dbraw/zinc/20/75/29/1343207529.db2.gz ITFPBNDSHUTSQU-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001676768476 1357197078 /nfs/dbraw/zinc/19/70/78/1357197078.db2.gz UVSOETWGTYKVSA-AEFFLSMTSA-N 2 0 349.523 2.275 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)CCCCC1 ZINC001676945116 1357247035 /nfs/dbraw/zinc/24/70/35/1357247035.db2.gz HYEXEDQVQHESTO-HZPDHXFCSA-N 2 0 327.488 2.343 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677262716 1357303522 /nfs/dbraw/zinc/30/35/22/1357303522.db2.gz BUXJFEFHDFDMRH-SJORKVTESA-N 2 0 341.540 2.406 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001677594484 1357367517 /nfs/dbraw/zinc/36/75/17/1357367517.db2.gz PEDLJKXYJMRULR-UHFFFAOYSA-N 2 0 329.488 2.319 10 0 EEAERP CCNc1cc(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccn1 ZINC001646940577 1353060693 /nfs/dbraw/zinc/06/06/93/1353060693.db2.gz PWCZHDPQOFKUHZ-OAHLLOKOSA-N 2 0 333.480 2.433 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001647932300 1353409288 /nfs/dbraw/zinc/40/92/88/1353409288.db2.gz IPNKDLGOVZAHHV-UHFFFAOYSA-N 2 0 347.503 2.078 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001671250220 1353901031 /nfs/dbraw/zinc/90/10/31/1353901031.db2.gz BCACKQQOXYYTRR-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC3CCC(C)([NH+]4CCC4)CC3)[C@H]2C1 ZINC001650546709 1353984516 /nfs/dbraw/zinc/98/45/16/1353984516.db2.gz CHSXOCMWMFIWJZ-XFJWBHNPSA-N 2 0 334.508 2.033 10 0 EEAERP c1nc([C@@H]2CCCO2)sc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC001655304608 1354169936 /nfs/dbraw/zinc/16/99/36/1354169936.db2.gz IJDYVOFQPMMVLV-HNNXBMFYSA-N 2 0 325.478 2.197 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001656139190 1354207505 /nfs/dbraw/zinc/20/75/05/1354207505.db2.gz BJISKPCOVHOEDV-NTDBWNAOSA-N 2 0 349.519 2.057 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001656451796 1354238759 /nfs/dbraw/zinc/23/87/59/1354238759.db2.gz BMXJPDWGRJKWDB-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001656870674 1354289097 /nfs/dbraw/zinc/28/90/97/1354289097.db2.gz CQQSWIDDICEBAT-QGZVFWFLSA-N 2 0 327.513 2.065 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)C[NH+]2CCC(C)CC2)C2CC2)on1 ZINC001660738970 1354528340 /nfs/dbraw/zinc/52/83/40/1354528340.db2.gz IBTINUTWIBDRNE-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](CCF)C1 ZINC001662018443 1354742829 /nfs/dbraw/zinc/74/28/29/1354742829.db2.gz STYDGRVQHSLXFN-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001662691287 1354826791 /nfs/dbraw/zinc/82/67/91/1354826791.db2.gz SEADBBGSFQMOKU-ICFKLAHKSA-N 2 0 327.900 2.442 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001662772419 1354842993 /nfs/dbraw/zinc/84/29/93/1354842993.db2.gz GPZQZYQMFBLTJJ-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CN(CC[NH2+]Cc1sccc1Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001663981535 1355067101 /nfs/dbraw/zinc/06/71/01/1355067101.db2.gz JXNTUNIRYBDECL-UHFFFAOYSA-N 2 0 329.897 2.434 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCc2ccccc2Cl)C1 ZINC001664186178 1355109676 /nfs/dbraw/zinc/10/96/76/1355109676.db2.gz MEFGUPLQDMYLNJ-OAHLLOKOSA-N 2 0 337.895 2.272 10 0 EEAERP Cc1ncccc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001664510532 1355181905 /nfs/dbraw/zinc/18/19/05/1355181905.db2.gz NBPYHKPCKNWKAX-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001666172367 1355475063 /nfs/dbraw/zinc/47/50/63/1355475063.db2.gz GGPZUYPZCXFTJQ-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)on1 ZINC001666241039 1355493038 /nfs/dbraw/zinc/49/30/38/1355493038.db2.gz YPNKNCJMGVPQLU-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CCCF ZINC001666605747 1355552302 /nfs/dbraw/zinc/55/23/02/1355552302.db2.gz NKYPMVBSVCJICI-RDJZCZTQSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCOC1CCCCCC1 ZINC001666667279 1355563028 /nfs/dbraw/zinc/56/30/28/1355563028.db2.gz RHOQLHURXZMLFI-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001666991433 1355628469 /nfs/dbraw/zinc/62/84/69/1355628469.db2.gz CHPJUTPQONPPBS-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667034654 1355636475 /nfs/dbraw/zinc/63/64/75/1355636475.db2.gz WZYPSVWJCPXFDB-OAHLLOKOSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668274040 1355913222 /nfs/dbraw/zinc/91/32/22/1355913222.db2.gz NEKUKVWUAIBMAU-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cncc(C)c1 ZINC001668852934 1356023083 /nfs/dbraw/zinc/02/30/83/1356023083.db2.gz AYEGTBTZPLZBIQ-XDXAGZTOSA-N 2 0 330.476 2.026 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cnccc2C)C1 ZINC001668995262 1356063737 /nfs/dbraw/zinc/06/37/37/1356063737.db2.gz KDNCFBGGSDICBP-XDXAGZTOSA-N 2 0 344.503 2.274 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001669008024 1356066346 /nfs/dbraw/zinc/06/63/46/1356066346.db2.gz DUWBLPOTBAEGBT-JXCVUKRWSA-N 2 0 333.451 2.417 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)s1 ZINC001670291360 1356312713 /nfs/dbraw/zinc/31/27/13/1356312713.db2.gz JFBJRXVYIMZUER-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001670357296 1356325889 /nfs/dbraw/zinc/32/58/89/1356325889.db2.gz ALVSCCOQYKCIRW-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001672328138 1356501077 /nfs/dbraw/zinc/50/10/77/1356501077.db2.gz MXVOHKMOAHUIPI-QWHCGFSZSA-N 2 0 336.307 2.331 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2conc2C)C1 ZINC001672805575 1356588656 /nfs/dbraw/zinc/58/86/56/1356588656.db2.gz NTALERXPQZVITP-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001674001702 1356769308 /nfs/dbraw/zinc/76/93/08/1356769308.db2.gz JURGNODUEJUYFV-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001674491151 1356845806 /nfs/dbraw/zinc/84/58/06/1356845806.db2.gz LPURNAHEFGATBV-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001691837512 1404950305 /nfs/dbraw/zinc/95/03/05/1404950305.db2.gz FCTOCGPJZFVOAQ-VYDXJSESSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001698755270 1405045004 /nfs/dbraw/zinc/04/50/04/1405045004.db2.gz NNVDOUGDPKQNOB-AEFFLSMTSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001698858969 1405114416 /nfs/dbraw/zinc/11/44/16/1405114416.db2.gz XKMIVZGXVVCQBV-RCMYXZNBSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CCCCCF)C1 ZINC001699813875 1405503693 /nfs/dbraw/zinc/50/36/93/1405503693.db2.gz NLCDASUGVVCIRY-FUHWJXTLSA-N 2 0 325.472 2.049 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001699855081 1405529694 /nfs/dbraw/zinc/52/96/94/1405529694.db2.gz ZENCUPVQNWXLNP-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000920505601 770737541 /nfs/dbraw/zinc/73/75/41/770737541.db2.gz BLAXZXHWSXZJPU-GOSISDBHSA-N 2 0 347.507 2.248 10 0 EEAERP CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000907375103 784572598 /nfs/dbraw/zinc/57/25/98/784572598.db2.gz XOHSHXUZJKNCOV-GOSISDBHSA-N 2 0 327.472 2.205 10 0 EEAERP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)C[C@H]3COCCN3)C2=O)c(C)c1 ZINC000817923325 785076563 /nfs/dbraw/zinc/07/65/63/785076563.db2.gz IHTUALZDRFYGJY-SQNIBIBYSA-N 2 0 345.487 2.074 10 0 EEAERP [NH3+]Cc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000818611600 785302270 /nfs/dbraw/zinc/30/22/70/785302270.db2.gz KEYYYMUCXDQBEU-MSOLQXFVSA-N 2 0 327.403 2.241 10 0 EEAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000922969846 788462906 /nfs/dbraw/zinc/46/29/06/788462906.db2.gz GREOUBGAEYSYNZ-IEBWSBKVSA-N 2 0 340.471 2.240 10 0 EEAERP [NH3+]CCCCCCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000844222138 788910836 /nfs/dbraw/zinc/91/08/36/788910836.db2.gz WNYDGCQMKNGNQX-UHFFFAOYSA-N 2 0 329.439 2.305 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000923190751 789094077 /nfs/dbraw/zinc/09/40/77/789094077.db2.gz RCGDNFPUOOFIQU-IRXDYDNUSA-N 2 0 347.507 2.246 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)CC(C)C ZINC000923374332 789456765 /nfs/dbraw/zinc/45/67/65/789456765.db2.gz VQNSWYWOWSOIGB-LJQANCHMSA-N 3 0 337.552 2.445 10 0 EEAERP Brc1cc2c(s1)CCN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923389280 789485260 /nfs/dbraw/zinc/48/52/60/789485260.db2.gz NSYKPJJYNLPHEM-LLVKDONJSA-N 2 0 343.290 2.247 10 0 EEAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000923413531 789520714 /nfs/dbraw/zinc/52/07/14/789520714.db2.gz FWLFZNQHLCWUNR-GUDVDZBRSA-N 2 0 332.488 2.425 10 0 EEAERP CC(=O)c1ccccc1OCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454259 789588258 /nfs/dbraw/zinc/58/82/58/789588258.db2.gz GECMOLRYHPKKNU-MRXNPFEDSA-N 2 0 332.444 2.098 10 0 EEAERP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923502973 789667836 /nfs/dbraw/zinc/66/78/36/789667836.db2.gz DGKWCVBHHHILME-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000923511880 789699318 /nfs/dbraw/zinc/69/93/18/789699318.db2.gz YIMMSZLSHPGIMT-KCITZHQASA-N 2 0 344.503 2.146 10 0 EEAERP O=c1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc[nH]1 ZINC000921559866 789764948 /nfs/dbraw/zinc/76/49/48/789764948.db2.gz QJURIZFOYRHMTG-UHFFFAOYSA-N 2 0 340.471 2.479 10 0 EEAERP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921626679 790148975 /nfs/dbraw/zinc/14/89/75/790148975.db2.gz AWIDRWXSBORXCM-ZHALLVOQSA-N 2 0 335.536 2.340 10 0 EEAERP CN1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1=O ZINC000716673604 796405997 /nfs/dbraw/zinc/40/59/97/796405997.db2.gz PBQJBXNEUNAPTK-RDGPPVDQSA-N 2 0 327.472 2.250 10 0 EEAERP CN(C)C(=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716717313 796445961 /nfs/dbraw/zinc/44/59/61/796445961.db2.gz JCOBWKJIEOOUEB-FHWLQOOXSA-N 2 0 329.488 2.498 10 0 EEAERP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)[C@@H]2C1 ZINC000922791373 801896814 /nfs/dbraw/zinc/89/68/14/801896814.db2.gz WXNGDKMTMGOEMF-JJTUDDRGSA-N 2 0 335.492 2.316 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001566124133 1125571892 /nfs/dbraw/zinc/57/18/92/1125571892.db2.gz HLYVKBNGHNQLTN-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001436441951 1087838110 /nfs/dbraw/zinc/83/81/10/1087838110.db2.gz IKPNAKIIBONEPP-YESZJQIVSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2ccccn2)CC1 ZINC001436491050 1087986193 /nfs/dbraw/zinc/98/61/93/1087986193.db2.gz FAABRWXNCNJXOY-SFHVURJKSA-N 2 0 344.503 2.236 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCOCC1 ZINC001436496514 1088006834 /nfs/dbraw/zinc/00/68/34/1088006834.db2.gz SKSLKACALRLGJW-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C)c1ccccc1C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001436669945 1088110710 /nfs/dbraw/zinc/11/07/10/1088110710.db2.gz CFZGTBFVHQYQEU-UHFFFAOYSA-N 2 0 346.519 2.127 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001436838266 1088466081 /nfs/dbraw/zinc/46/60/81/1088466081.db2.gz RKFFSWZABGJWGH-KGLIPLIRSA-N 2 0 335.414 2.203 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccc2c(c1)CCC2 ZINC001436964661 1088654511 /nfs/dbraw/zinc/65/45/11/1088654511.db2.gz MTIFBCJGXQDJJN-ZMYBRWDISA-N 2 0 329.488 2.425 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001437060955 1088967827 /nfs/dbraw/zinc/96/78/27/1088967827.db2.gz CUTRAKLSECCSEW-HOCLYGCPSA-N 2 0 348.491 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001437312096 1089470336 /nfs/dbraw/zinc/47/03/36/1089470336.db2.gz QMCMXIJOUDBZLE-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001437379489 1089626352 /nfs/dbraw/zinc/62/63/52/1089626352.db2.gz IVXQJZPBSVNBRY-CQSZACIVSA-N 2 0 348.491 2.022 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC001437379815 1089626730 /nfs/dbraw/zinc/62/67/30/1089626730.db2.gz HWJUCKKMDFEZMD-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001437385539 1089636268 /nfs/dbraw/zinc/63/62/68/1089636268.db2.gz XXKQKDOFZSLDOX-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001437936718 1090529486 /nfs/dbraw/zinc/52/94/86/1090529486.db2.gz FDNHCRUGVAUOCL-DLBZAZTESA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCF)C1 ZINC001437939196 1090531927 /nfs/dbraw/zinc/53/19/27/1090531927.db2.gz SXGOINHYMLVBLF-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CC/C=C\c3ccccc3)C2)C1 ZINC001438164518 1090677008 /nfs/dbraw/zinc/67/70/08/1090677008.db2.gz XVQHGIILKMDKOS-FVXMCEBTSA-N 2 0 341.499 2.480 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001438273833 1090759371 /nfs/dbraw/zinc/75/93/71/1090759371.db2.gz VJQMHKKSHDSGGY-LJQANCHMSA-N 2 0 344.503 2.217 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccns1 ZINC001438320392 1090795749 /nfs/dbraw/zinc/79/57/49/1090795749.db2.gz DPGZPOPSHDIICM-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccns1 ZINC001438344312 1090821332 /nfs/dbraw/zinc/82/13/32/1090821332.db2.gz PCLKJOVIKBJTNO-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@@H]1CCc2ccccc21 ZINC001438519328 1091012069 /nfs/dbraw/zinc/01/20/69/1091012069.db2.gz VWILCOCITIOTHN-CRAIPNDOSA-N 2 0 329.488 2.358 10 0 EEAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001438537595 1091029808 /nfs/dbraw/zinc/02/98/08/1091029808.db2.gz CGKOKDPJZHHZEC-KDOFPFPSSA-N 2 0 330.476 2.350 10 0 EEAERP C[C@H](CNCc1cscn1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001445390056 1091133995 /nfs/dbraw/zinc/13/39/95/1091133995.db2.gz MXTJDFQPTHGBEE-CZUORRHYSA-N 2 0 336.505 2.144 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445393234 1091137777 /nfs/dbraw/zinc/13/77/77/1091137777.db2.gz FQDDUKZDOFZXMT-HUUCEWRRSA-N 2 0 343.462 2.392 10 0 EEAERP COC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001438669654 1091157835 /nfs/dbraw/zinc/15/78/35/1091157835.db2.gz QNEWTVBFWULAKA-CABCVRRESA-N 2 0 327.513 2.111 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001445428973 1091185571 /nfs/dbraw/zinc/18/55/71/1091185571.db2.gz NEBVNMHRLJKARE-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001445592396 1091383766 /nfs/dbraw/zinc/38/37/66/1091383766.db2.gz BOQBUWIJFPVDAN-QFBILLFUSA-N 2 0 344.503 2.473 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445607948 1091402049 /nfs/dbraw/zinc/40/20/49/1091402049.db2.gz VIKXJDVLARLWDY-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001438835514 1091461383 /nfs/dbraw/zinc/46/13/83/1091461383.db2.gz BGFYZYZHUMLOBT-GOSISDBHSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1cncn1CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001445749712 1091583640 /nfs/dbraw/zinc/58/36/40/1091583640.db2.gz CYZYROMJMIPZIN-INIZCTEOSA-N 2 0 328.460 2.445 10 0 EEAERP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001445773099 1091635884 /nfs/dbraw/zinc/63/58/84/1091635884.db2.gz YKRUTLNTPHUDNI-WBVHZDCISA-N 2 0 332.492 2.462 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001439063549 1091707910 /nfs/dbraw/zinc/70/79/10/1091707910.db2.gz FJLWPAXTARPYIQ-DOTOQJQBSA-N 2 0 347.507 2.062 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439178594 1091824962 /nfs/dbraw/zinc/82/49/62/1091824962.db2.gz OLOOXGUMFUHURU-NVXWUHKLSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001439212986 1091856611 /nfs/dbraw/zinc/85/66/11/1091856611.db2.gz GPWFMIGCLDTVCN-XJKSGUPXSA-N 2 0 336.505 2.144 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001439241182 1091889921 /nfs/dbraw/zinc/88/99/21/1091889921.db2.gz CWCOTHTVLBRCHP-KBXCAEBGSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C)nc1C ZINC001446023554 1092013878 /nfs/dbraw/zinc/01/38/78/1092013878.db2.gz YVUMQTZFIXNVCE-HKUYNNGSSA-N 2 0 346.519 2.367 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446073880 1092092732 /nfs/dbraw/zinc/09/27/32/1092092732.db2.gz RADYEBPIUWUJPM-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccnc1)[NH+]1CCCC1 ZINC001439407747 1092170982 /nfs/dbraw/zinc/17/09/82/1092170982.db2.gz NCJBYLLUWKDBIY-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC001439644092 1092567425 /nfs/dbraw/zinc/56/74/25/1092567425.db2.gz YIXHKZDUEDJVJD-LBPRGKRZSA-N 2 0 325.403 2.216 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC001439676521 1092617515 /nfs/dbraw/zinc/61/75/15/1092617515.db2.gz MOGRJNKSMOLLGT-UHFFFAOYSA-N 2 0 339.430 2.086 10 0 EEAERP CN(C(=O)CCCn1ccnc1)C1CN(CCc2cccs2)C1 ZINC001439759972 1092718183 /nfs/dbraw/zinc/71/81/83/1092718183.db2.gz RXSZHEHVSMRXKI-UHFFFAOYSA-N 2 0 332.473 2.110 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001439906065 1092971606 /nfs/dbraw/zinc/97/16/06/1092971606.db2.gz SCSMJNLNORWVQT-PXNSSMCTSA-N 2 0 347.478 2.496 10 0 EEAERP COC[C@@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001439910262 1092978362 /nfs/dbraw/zinc/97/83/62/1092978362.db2.gz AYIKBSKTXJLHIA-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC001439975054 1093091192 /nfs/dbraw/zinc/09/11/92/1093091192.db2.gz QOJAIYLPUWCDOO-CABCVRRESA-N 2 0 349.441 2.150 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC2CC(C)C2)CCC1(F)F ZINC001439985097 1093103805 /nfs/dbraw/zinc/10/38/05/1093103805.db2.gz ZRPYXRGPGZRFGC-UYSNPLJNSA-N 2 0 345.478 2.448 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1oc(C)nc1C)C2 ZINC001440111386 1093171838 /nfs/dbraw/zinc/17/18/38/1093171838.db2.gz NVBLWOVZAMRZPS-BBWFWOEESA-N 2 0 348.491 2.102 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]Cc1ccon1 ZINC001440137908 1093202951 /nfs/dbraw/zinc/20/29/51/1093202951.db2.gz RGGGRRFENSQUQX-SJORKVTESA-N 2 0 348.491 2.125 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001440354047 1093509386 /nfs/dbraw/zinc/50/93/86/1093509386.db2.gz AHMNGQPSGJOHMK-JSOMCWRVSA-N 2 0 325.884 2.240 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CCC2)c1 ZINC001440357330 1093513508 /nfs/dbraw/zinc/51/35/08/1093513508.db2.gz SCFOUWYDNCAFBY-IAGOWNOFSA-N 2 0 344.503 2.391 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001448514796 1093541698 /nfs/dbraw/zinc/54/16/98/1093541698.db2.gz GHCPYECQWFIOKG-QAQDUYKDSA-N 2 0 348.491 2.234 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccncc2Cl)CC1 ZINC001448548740 1093589751 /nfs/dbraw/zinc/58/97/51/1093589751.db2.gz VKOPYFVXMRVXLR-UHFFFAOYSA-N 2 0 338.883 2.110 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]C/C(Cl)=C\Cl)C2CC2)C1 ZINC001448598750 1093660142 /nfs/dbraw/zinc/66/01/42/1093660142.db2.gz WXOLZBOEEBCHEY-PMOLXROHSA-N 2 0 348.318 2.474 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2scnc2C)[C@@H]1CC ZINC001440459988 1093678593 /nfs/dbraw/zinc/67/85/93/1093678593.db2.gz ZRJNCKOBQDHTFU-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001440466425 1093689733 /nfs/dbraw/zinc/68/97/33/1093689733.db2.gz ALRLNKLCZXWDAT-QGZVFWFLSA-N 2 0 332.492 2.012 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2N(C)C)[C@@H]1C ZINC001440500097 1093740698 /nfs/dbraw/zinc/74/06/98/1093740698.db2.gz ZDPSXYFMVSMEIX-AEFFLSMTSA-N 2 0 346.519 2.173 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001448710029 1093778874 /nfs/dbraw/zinc/77/88/74/1093778874.db2.gz NBQKKYGYEVKCRS-IKGGRYGDSA-N 2 0 332.492 2.057 10 0 EEAERP CCC1([NH2+]Cc2c(C)noc2C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001440539029 1093806459 /nfs/dbraw/zinc/80/64/59/1093806459.db2.gz MWZVGINISQVUKP-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCc1c(F)cccc1F ZINC001440679727 1093937418 /nfs/dbraw/zinc/93/74/18/1093937418.db2.gz LGYREHVNPVZASA-AWEZNQCLSA-N 2 0 339.430 2.088 10 0 EEAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001440725535 1093969132 /nfs/dbraw/zinc/96/91/32/1093969132.db2.gz AAGIZNGJJQTKGI-QGZVFWFLSA-N 2 0 349.523 2.027 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001449016909 1094018146 /nfs/dbraw/zinc/01/81/46/1094018146.db2.gz NEJZSBOGQLKSSH-NVXWUHKLSA-N 2 0 333.476 2.114 10 0 EEAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001440800030 1094043619 /nfs/dbraw/zinc/04/36/19/1094043619.db2.gz MMSNYLVMEYSFTG-CVEARBPZSA-N 2 0 341.540 2.264 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001440860894 1094122582 /nfs/dbraw/zinc/12/25/82/1094122582.db2.gz QQOCYHBZRYQOQG-GJZGRUSLSA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)N(CC[N@H+](C)CCOc1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001449255689 1094203560 /nfs/dbraw/zinc/20/35/60/1094203560.db2.gz FQICZLDWYNTURQ-IBGZPJMESA-N 2 0 347.503 2.328 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCCCO1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001449263625 1094212160 /nfs/dbraw/zinc/21/21/60/1094212160.db2.gz BZGAZRREWZUCPQ-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001449400593 1094380885 /nfs/dbraw/zinc/38/08/85/1094380885.db2.gz JOQIFFJFODQVFI-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccnc2C)C1)[NH+](CC)CC ZINC001441183556 1094539538 /nfs/dbraw/zinc/53/95/38/1094539538.db2.gz LHGOTNUOPPCUHE-APWZRJJASA-N 2 0 346.519 2.447 10 0 EEAERP CO[C@@H](C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001441207560 1094570298 /nfs/dbraw/zinc/57/02/98/1094570298.db2.gz LNXMHHMFCNDIGM-LPHOPBHVSA-N 2 0 347.503 2.151 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001441250638 1094644664 /nfs/dbraw/zinc/64/46/64/1094644664.db2.gz LXYTVMYTJXOHQQ-IAGOWNOFSA-N 2 0 327.488 2.339 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001441300708 1094746413 /nfs/dbraw/zinc/74/64/13/1094746413.db2.gz HKUGGTUMYIRQES-AKHDSKFASA-N 2 0 347.478 2.161 10 0 EEAERP CCCOc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001441352707 1094866194 /nfs/dbraw/zinc/86/61/94/1094866194.db2.gz DOVFFJVAWMSXTQ-KRWDZBQOSA-N 2 0 333.476 2.118 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC001441480654 1095151320 /nfs/dbraw/zinc/15/13/20/1095151320.db2.gz PXMZJLBNTVHLPT-RTBURBONSA-N 2 0 344.503 2.236 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](CC4CCC4)CC[C@@H]32)CC1 ZINC001441486470 1095161355 /nfs/dbraw/zinc/16/13/55/1095161355.db2.gz XGFHNKMANVZFOQ-MSOLQXFVSA-N 2 0 333.520 2.441 10 0 EEAERP O=C(Cc1c[nH]cn1)NC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441602528 1095448873 /nfs/dbraw/zinc/44/88/73/1095448873.db2.gz ZCIHAFUDBAESPE-KBPBESRZSA-N 2 0 340.418 2.216 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3conc3C)[C@H]2C1 ZINC001441872828 1095988486 /nfs/dbraw/zinc/98/84/86/1095988486.db2.gz MSHNTLCTTRWCPY-SZMVWBNQSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001441876057 1095995086 /nfs/dbraw/zinc/99/50/86/1095995086.db2.gz YMBMABCETLLGMN-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC001441925044 1096109770 /nfs/dbraw/zinc/10/97/70/1096109770.db2.gz AZTUYEXGBWFKMV-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442152087 1096404610 /nfs/dbraw/zinc/40/46/10/1096404610.db2.gz YUORIXLJQSFHPF-MRXNPFEDSA-N 2 0 349.523 2.243 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001442185009 1096455776 /nfs/dbraw/zinc/45/57/76/1096455776.db2.gz QOPPUHLYAPMUTO-HNNXBMFYSA-N 2 0 340.537 2.332 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001442219481 1096514429 /nfs/dbraw/zinc/51/44/29/1096514429.db2.gz AFTPETLLRNSTAP-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1 ZINC001442310447 1096626651 /nfs/dbraw/zinc/62/66/51/1096626651.db2.gz XEDIVKVSKILRHI-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001442343978 1096666767 /nfs/dbraw/zinc/66/67/67/1096666767.db2.gz DALMKRBPSKPPAK-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001442577576 1096940639 /nfs/dbraw/zinc/94/06/39/1096940639.db2.gz QNELTTRPPGFUPR-MRXNPFEDSA-N 2 0 328.460 2.058 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C)cc1C ZINC001442752268 1097128567 /nfs/dbraw/zinc/12/85/67/1097128567.db2.gz QSWIQNDWSDPKOH-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443336535 1097850018 /nfs/dbraw/zinc/85/00/18/1097850018.db2.gz QHLUIVGMNKVELF-MAUKXSAKSA-N 2 0 345.478 2.339 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443352573 1097877142 /nfs/dbraw/zinc/87/71/42/1097877142.db2.gz WQDIOCFLUIRXCC-OLZOCXBDSA-N 2 0 334.291 2.037 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccccc1F ZINC001444006053 1098521091 /nfs/dbraw/zinc/52/10/91/1098521091.db2.gz GLXLXQAKGCEJAO-ZFWWWQNUSA-N 2 0 332.423 2.412 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001444049470 1098575610 /nfs/dbraw/zinc/57/56/10/1098575610.db2.gz ZTAYIWBROQAQSJ-SFHVURJKSA-N 2 0 333.476 2.041 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC[NH2+]CC1CCC1 ZINC001479526623 1098592847 /nfs/dbraw/zinc/59/28/47/1098592847.db2.gz GGUFVVOFKFJFID-SJLPKXTDSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CC[NH2+]CC1CCC1 ZINC001479526621 1098593149 /nfs/dbraw/zinc/59/31/49/1098593149.db2.gz GGUFVVOFKFJFID-AEFFLSMTSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)c(C)o1 ZINC001444126562 1098661735 /nfs/dbraw/zinc/66/17/35/1098661735.db2.gz VHWGBKKMPPCODC-PKOBYXMFSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001444147105 1098687261 /nfs/dbraw/zinc/68/72/61/1098687261.db2.gz KDVAKMDNBMXGMH-SUMWQHHRSA-N 2 0 343.462 2.248 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001444232283 1098794881 /nfs/dbraw/zinc/79/48/81/1098794881.db2.gz GELQSMLGXSEREI-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc2ccccc2o1 ZINC001444394633 1098990240 /nfs/dbraw/zinc/99/02/40/1098990240.db2.gz XZQLSRXPEJLNLK-LSDHHAIUSA-N 2 0 344.459 2.012 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCc2ccccc2)CC[N@@H+]1C ZINC001479792661 1099000152 /nfs/dbraw/zinc/00/01/52/1099000152.db2.gz YASAFUPVSGOBQB-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cncs1 ZINC001479833488 1099115731 /nfs/dbraw/zinc/11/57/31/1099115731.db2.gz JTCCMBDPULUXLK-GDBMZVCRSA-N 2 0 338.521 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)c1ccn2c(C)cnc2c1)C[C@@H](C)OC ZINC001479844110 1099135274 /nfs/dbraw/zinc/13/52/74/1099135274.db2.gz YPZACXMVQIZZBS-OAHLLOKOSA-N 2 0 332.448 2.119 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H]1CCCOC1 ZINC001479851050 1099150110 /nfs/dbraw/zinc/15/01/10/1099150110.db2.gz NPBYYBZIJSVQMQ-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479909016 1099302862 /nfs/dbraw/zinc/30/28/62/1099302862.db2.gz WEVMVZLXXWEPJY-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001480055642 1099570739 /nfs/dbraw/zinc/57/07/39/1099570739.db2.gz PXKIMLWDRJJESW-IBGZPJMESA-N 2 0 349.519 2.082 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001444776608 1099679461 /nfs/dbraw/zinc/67/94/61/1099679461.db2.gz AWQRSBBMRZBCOU-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CCCCC2)o1 ZINC001444796171 1099712328 /nfs/dbraw/zinc/71/23/28/1099712328.db2.gz WAINLAKARYLJNV-SJLPKXTDSA-N 2 0 348.491 2.089 10 0 EEAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480149327 1099717197 /nfs/dbraw/zinc/71/71/97/1099717197.db2.gz WVCZRVZNAGHQKM-KKUMJFAQSA-N 2 0 327.432 2.164 10 0 EEAERP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCOC1)c1cnc[nH]1 ZINC001480364646 1100138613 /nfs/dbraw/zinc/13/86/13/1100138613.db2.gz ACBPPUMSZBIDKY-HOTGVXAUSA-N 2 0 348.491 2.085 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001480462009 1100266133 /nfs/dbraw/zinc/26/61/33/1100266133.db2.gz DWMIDSDQIJEXFE-LPHOPBHVSA-N 2 0 329.488 2.240 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001480527540 1100359250 /nfs/dbraw/zinc/35/92/50/1100359250.db2.gz WPMFIJLIBXZOEU-YDHLFZDLSA-N 2 0 339.430 2.289 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001446468719 1100892984 /nfs/dbraw/zinc/89/29/84/1100892984.db2.gz GXODZOMQDRPGTL-QGZVFWFLSA-N 2 0 331.451 2.139 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CC3(CCC3)C2)C2CC2)C1 ZINC001495298712 1100998452 /nfs/dbraw/zinc/99/84/52/1100998452.db2.gz JKAMRRCRGHXSPK-LPHOPBHVSA-N 2 0 333.520 2.393 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001446552290 1101023458 /nfs/dbraw/zinc/02/34/58/1101023458.db2.gz ILAYBRFOOXYCPZ-PKOBYXMFSA-N 2 0 339.524 2.257 10 0 EEAERP COCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001495327155 1101034647 /nfs/dbraw/zinc/03/46/47/1101034647.db2.gz SVUWRHDIXHOBOG-HKUYNNGSSA-N 2 0 339.524 2.019 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001446563529 1101046538 /nfs/dbraw/zinc/04/65/38/1101046538.db2.gz ORZBZFOEZQKRLK-HOCLYGCPSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001495348715 1101060871 /nfs/dbraw/zinc/06/08/71/1101060871.db2.gz YPLSUZKGOXAGTL-MJGOQNOKSA-N 2 0 344.503 2.203 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001495398745 1101120421 /nfs/dbraw/zinc/12/04/21/1101120421.db2.gz YJACZXXHWSXQPS-FUHWJXTLSA-N 2 0 347.478 2.496 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001495479657 1101188387 /nfs/dbraw/zinc/18/83/87/1101188387.db2.gz NKAXGRFRGZBRDW-WGSAOQKQSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001495549148 1101263565 /nfs/dbraw/zinc/26/35/65/1101263565.db2.gz VTLSKVQLDGKLKE-RTBURBONSA-N 2 0 329.488 2.212 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001495665505 1101405873 /nfs/dbraw/zinc/40/58/73/1101405873.db2.gz KBIMZKVUNDWEGC-AUUYWEPGSA-N 2 0 347.478 2.318 10 0 EEAERP CC[C@@H](C[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)OC ZINC001496780509 1101453658 /nfs/dbraw/zinc/45/36/58/1101453658.db2.gz FKWIXCOYIBDCKF-YJBOKZPZSA-N 2 0 345.503 2.014 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001495718988 1101481176 /nfs/dbraw/zinc/48/11/76/1101481176.db2.gz UAFMEZLTPLEHQW-FUHWJXTLSA-N 2 0 347.503 2.118 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC001446939778 1101625910 /nfs/dbraw/zinc/62/59/10/1101625910.db2.gz INTMRLCLJFPRCX-AEFFLSMTSA-N 2 0 347.503 2.221 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]Cc3cncs3)CCCC2)CC1 ZINC001495939665 1101793949 /nfs/dbraw/zinc/79/39/49/1101793949.db2.gz VYBVDSMNQMCMMG-UHFFFAOYSA-N 2 0 336.505 2.004 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC001447034097 1101795605 /nfs/dbraw/zinc/79/56/05/1101795605.db2.gz CRAPQLCUWNGYID-JKSUJKDBSA-N 2 0 343.462 2.439 10 0 EEAERP Cc1nc(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CCCC2)cs1 ZINC001495953548 1101822524 /nfs/dbraw/zinc/82/25/24/1101822524.db2.gz GMNNZFMTYDBKFP-UHFFFAOYSA-N 2 0 348.516 2.066 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCCF)C[C@H]21)[NH+](CC)CC ZINC001447041815 1101830656 /nfs/dbraw/zinc/83/06/56/1101830656.db2.gz IDIUDXGRHHGBEJ-GVDBMIGSSA-N 2 0 327.488 2.389 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001496029544 1101954260 /nfs/dbraw/zinc/95/42/60/1101954260.db2.gz YNLNNMQYFHIRHE-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP COCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001496092590 1102043615 /nfs/dbraw/zinc/04/36/15/1102043615.db2.gz DUAQEXUOKGTEFW-QFBILLFUSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@H](CC[NH2+]CCOc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219772 1102144310 /nfs/dbraw/zinc/14/43/10/1102144310.db2.gz KHMOSEYYYGNPIO-QGZVFWFLSA-N 2 0 345.487 2.178 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(Cc2nc(C)oc2C)CC1 ZINC001447323337 1102445131 /nfs/dbraw/zinc/44/51/31/1102445131.db2.gz WYSYWQFBNUAOEY-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)o1 ZINC001447338442 1102476286 /nfs/dbraw/zinc/47/62/86/1102476286.db2.gz AYWLCBHXPLFUTL-WMZOPIPTSA-N 2 0 348.491 2.280 10 0 EEAERP CCC1([NH2+]Cc2ccccn2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001447415655 1102615283 /nfs/dbraw/zinc/61/52/83/1102615283.db2.gz TUQSSELJXKUPIY-GOSISDBHSA-N 2 0 344.503 2.427 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447426230 1102631456 /nfs/dbraw/zinc/63/14/56/1102631456.db2.gz WEEUQYDDWSAAHY-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001447462512 1102692011 /nfs/dbraw/zinc/69/20/11/1102692011.db2.gz AARZWAIONORZBS-AZUAARDMSA-N 2 0 347.503 2.033 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001497598122 1102724819 /nfs/dbraw/zinc/72/48/19/1102724819.db2.gz ACLPMHYMFMKSKW-DCKQQPRJSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001497731164 1102980685 /nfs/dbraw/zinc/98/06/85/1102980685.db2.gz NJJFHSGQYUSZAR-PXPVJAHISA-N 2 0 329.488 2.407 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001497749152 1103015863 /nfs/dbraw/zinc/01/58/63/1103015863.db2.gz DMYAUFDPPXXURX-WHLIDYPQSA-N 2 0 341.499 2.149 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497891636 1103268277 /nfs/dbraw/zinc/26/82/77/1103268277.db2.gz WCWVVEVANKJMSU-VYDXJSESSA-N 2 0 345.487 2.041 10 0 EEAERP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001447787480 1103343738 /nfs/dbraw/zinc/34/37/38/1103343738.db2.gz ZODDQNPNMPNXNF-KRWDZBQOSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494029359 1103385862 /nfs/dbraw/zinc/38/58/62/1103385862.db2.gz OINWEIBBBHJBLQ-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001494077936 1103484742 /nfs/dbraw/zinc/48/47/42/1103484742.db2.gz DCSGDEMTJZEGPL-WMZOPIPTSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cccnc1 ZINC001448097032 1103994760 /nfs/dbraw/zinc/99/47/60/1103994760.db2.gz FPLPGVHKELTNLV-IRXDYDNUSA-N 2 0 332.492 2.283 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)CC1 ZINC001494584094 1104170617 /nfs/dbraw/zinc/17/06/17/1104170617.db2.gz GBRMLVWKEDDNFS-UHFFFAOYSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001494632823 1104218099 /nfs/dbraw/zinc/21/80/99/1104218099.db2.gz JNRUKPSZUGOPRQ-IAGOWNOFSA-N 2 0 329.488 2.150 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cc(C)ns1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001448243231 1104234695 /nfs/dbraw/zinc/23/46/95/1104234695.db2.gz DITYYCGTAYRGCN-GDBMZVCRSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001494923785 1104566723 /nfs/dbraw/zinc/56/67/23/1104566723.db2.gz HYUXFXFAOJEFMN-KRWDZBQOSA-N 2 0 332.492 2.153 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001498078013 1106895600 /nfs/dbraw/zinc/89/56/00/1106895600.db2.gz PSIVXHKJQXUIPV-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nccs2)C1 ZINC001480786853 1107116831 /nfs/dbraw/zinc/11/68/31/1107116831.db2.gz WJCSEVJHBGAWNC-CABCVRRESA-N 2 0 338.521 2.250 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001480833338 1107232326 /nfs/dbraw/zinc/23/23/26/1107232326.db2.gz RNQRQHSFLSXGRL-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP CO[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323455 1107292551 /nfs/dbraw/zinc/29/25/51/1107292551.db2.gz CISGDBGUKFXEFP-LSDHHAIUSA-N 2 0 327.513 2.111 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001498380570 1107424256 /nfs/dbraw/zinc/42/42/56/1107424256.db2.gz INNNRWIOXXNHPH-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)[N@H+](C)CCn1c(C2CC2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001454752000 1107583145 /nfs/dbraw/zinc/58/31/45/1107583145.db2.gz NBTMWSMXVAMTNH-QGZVFWFLSA-N 2 0 346.523 2.170 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001498557094 1107716329 /nfs/dbraw/zinc/71/63/29/1107716329.db2.gz YOEIMHJODKOGFK-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493266319 1107812721 /nfs/dbraw/zinc/81/27/21/1107812721.db2.gz DWUSPIDMYUJNNP-FUHWJXTLSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001498800368 1108128283 /nfs/dbraw/zinc/12/82/83/1108128283.db2.gz WTASJIGTAKSQOM-SFHVURJKSA-N 2 0 344.503 2.249 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001493444908 1108168346 /nfs/dbraw/zinc/16/83/46/1108168346.db2.gz PJBLAJPAEFMUTD-CYBMUJFWSA-N 2 0 348.318 2.247 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001498864931 1108243810 /nfs/dbraw/zinc/24/38/10/1108243810.db2.gz UUADZLBAQIUHCR-OCCSQVGLSA-N 2 0 341.908 2.338 10 0 EEAERP CN(CC[NH2+]Cc1nsc2ccccc12)C(=O)CCC[NH+](C)C ZINC001493674094 1108490809 /nfs/dbraw/zinc/49/08/09/1108490809.db2.gz AZDQOPFOOLEULZ-UHFFFAOYSA-N 2 0 334.489 2.186 10 0 EEAERP COCc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001493803442 1108683675 /nfs/dbraw/zinc/68/36/75/1108683675.db2.gz NXWGMGJBYNDMKJ-IAGOWNOFSA-N 2 0 347.503 2.254 10 0 EEAERP Cc1nccn1CCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473876464 1110583078 /nfs/dbraw/zinc/58/30/78/1110583078.db2.gz MMMRHXLAUQGNOM-UHFFFAOYSA-N 2 0 334.508 2.285 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001478971839 1110659215 /nfs/dbraw/zinc/65/92/15/1110659215.db2.gz YREDVLXMIPONBT-SJORKVTESA-N 2 0 326.529 2.382 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001499357135 1112248944 /nfs/dbraw/zinc/24/89/44/1112248944.db2.gz OTPSYNUUKAVEEC-MSOLQXFVSA-N 2 0 329.488 2.370 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC[C@H]3CCCC3(F)F)CC2)C1 ZINC001499420459 1112278352 /nfs/dbraw/zinc/27/83/52/1112278352.db2.gz FIPJYVOQSQRBBY-HUUCEWRRSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)sn1 ZINC001501090718 1113195303 /nfs/dbraw/zinc/19/53/03/1113195303.db2.gz HAUUZVGAAVWYQJ-LSDHHAIUSA-N 2 0 338.521 2.118 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001501153016 1113217394 /nfs/dbraw/zinc/21/73/94/1113217394.db2.gz JCCUHFXXRZYLNN-SJORKVTESA-N 2 0 327.488 2.296 10 0 EEAERP O=C(N(CC[NH2+]C/C=C\Cl)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001501199869 1113239157 /nfs/dbraw/zinc/23/91/57/1113239157.db2.gz GLVWITKHPLZXIL-WTKPLQERSA-N 2 0 347.890 2.453 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCOC)CC1 ZINC001501722888 1113449824 /nfs/dbraw/zinc/44/98/24/1113449824.db2.gz JWFJDNBRVXQRIL-KZNAEPCWSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)sn1 ZINC001501980063 1113546320 /nfs/dbraw/zinc/54/63/20/1113546320.db2.gz SZPURYXPAURJRJ-UHFFFAOYSA-N 2 0 348.516 2.208 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2F)CCC1 ZINC001502029028 1113564224 /nfs/dbraw/zinc/56/42/24/1113564224.db2.gz JLNPNVVHPZVRBH-UHFFFAOYSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2oc(C)nc2C)CC1 ZINC001502805853 1113806688 /nfs/dbraw/zinc/80/66/88/1113806688.db2.gz XHCCUNUMVHZGKK-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1cncn1CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001505962836 1114303086 /nfs/dbraw/zinc/30/30/86/1114303086.db2.gz DKUIFIWEEWMDJK-CQSZACIVSA-N 2 0 339.443 2.310 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506056316 1114380515 /nfs/dbraw/zinc/38/05/15/1114380515.db2.gz DQNOFBHQJKKFCL-DNVCBOLYSA-N 2 0 329.488 2.064 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CCc2ccccc2F)CC1(C)C ZINC001506749147 1114862347 /nfs/dbraw/zinc/86/23/47/1114862347.db2.gz OTLNAKAJAQPHEF-KRWDZBQOSA-N 2 0 335.467 2.147 10 0 EEAERP C[N@H+](CCOc1ccccc1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001506967919 1115018215 /nfs/dbraw/zinc/01/82/15/1115018215.db2.gz UYVAXOABKNEIOQ-UHFFFAOYSA-N 2 0 345.487 2.084 10 0 EEAERP Cc1ccncc1C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001508089344 1115417495 /nfs/dbraw/zinc/41/74/95/1115417495.db2.gz IXKZLXMZOOIHHO-KRWDZBQOSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCCC1 ZINC001568234861 1124377743 /nfs/dbraw/zinc/37/77/43/1124377743.db2.gz GOTLKJDKMRYPAZ-DLBZAZTESA-N 2 0 339.524 2.039 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC2(C[NH+](Cc3cccnc3)C2)CC1 ZINC001568252577 1124387621 /nfs/dbraw/zinc/38/76/21/1124387621.db2.gz MBEDPRSECQOYHJ-UHFFFAOYSA-N 2 0 344.503 2.238 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1ccc(F)c(F)c1 ZINC001568321038 1124419272 /nfs/dbraw/zinc/41/92/72/1124419272.db2.gz SYRPSOFNJSAJPI-CQSZACIVSA-N 2 0 341.446 2.284 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(F)(F)F)C1 ZINC001568400180 1124470513 /nfs/dbraw/zinc/47/05/13/1124470513.db2.gz FECYNZQIJHSNSY-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568533453 1124596679 /nfs/dbraw/zinc/59/66/79/1124596679.db2.gz ROWDBMXLPNMEKB-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001568535851 1124597096 /nfs/dbraw/zinc/59/70/96/1124597096.db2.gz HCZNGUUKILDELF-WMZOPIPTSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001568671765 1124685016 /nfs/dbraw/zinc/68/50/16/1124685016.db2.gz AOQWYAYLWQJSLV-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1C ZINC001568674889 1124687741 /nfs/dbraw/zinc/68/77/41/1124687741.db2.gz XEMFNBBXFZBSGI-HNNXBMFYSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)on1 ZINC001568697328 1124711736 /nfs/dbraw/zinc/71/17/36/1124711736.db2.gz KADUPHAHEUPJDC-AWEZNQCLSA-N 2 0 348.491 2.089 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001568751535 1124764505 /nfs/dbraw/zinc/76/45/05/1124764505.db2.gz OQRUYADJKWNEJS-GFCCVEGCSA-N 2 0 332.901 2.075 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568969667 1125007817 /nfs/dbraw/zinc/00/78/17/1125007817.db2.gz NZMYREVAUKEYIV-JRIJJQDJSA-N 2 0 348.491 2.180 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001569257629 1125199637 /nfs/dbraw/zinc/19/96/37/1125199637.db2.gz JZAKNPFUQCQJHB-OAHLLOKOSA-N 2 0 326.872 2.013 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1C ZINC001569257941 1125199778 /nfs/dbraw/zinc/19/97/78/1125199778.db2.gz NMPPOONPNSDOHG-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)CC[NH2+]CC1 ZINC000423080402 240357477 /nfs/dbraw/zinc/35/74/77/240357477.db2.gz SKJXPDZWFLUFDB-CRAIPNDOSA-N 2 0 340.508 2.229 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727494 240194235 /nfs/dbraw/zinc/19/42/35/240194235.db2.gz CRBBWCAEOVNZKQ-HERUPUMHSA-N 2 0 331.229 2.430 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422731310 240199956 /nfs/dbraw/zinc/19/99/56/240199956.db2.gz NLNBDNWAGFZLPE-ZYSHUDEJSA-N 2 0 331.504 2.472 10 0 EEAERP CC1CC[NH+](C2CCC([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)CC1 ZINC000422971029 240310179 /nfs/dbraw/zinc/31/01/79/240310179.db2.gz XTVNYHLINOKJAL-GUMHCPJTSA-N 2 0 335.536 2.386 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCC[C@H]2CCCC[C@@H]2O)CC[NH2+]CC1 ZINC000422985806 240318864 /nfs/dbraw/zinc/31/88/64/240318864.db2.gz AIZITDSPUFCHGR-BBWFWOEESA-N 2 0 340.508 2.229 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cnc(C3CC3)nc2)(N2CCCCC2)CC1 ZINC000459426995 245117730 /nfs/dbraw/zinc/11/77/30/245117730.db2.gz UPZKWXXQJHEBSQ-UHFFFAOYSA-N 2 0 343.519 2.394 10 0 EEAERP CC(C)(C)[NH+]1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000268868717 252318660 /nfs/dbraw/zinc/31/86/60/252318660.db2.gz XCSNRLNKQFOWIS-UHFFFAOYSA-N 2 0 329.444 2.135 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422718331 285030139 /nfs/dbraw/zinc/03/01/39/285030139.db2.gz WYYHUZMWVMBMDB-YZGWKJHDSA-N 2 0 347.503 2.189 10 0 EEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000190918670 256004118 /nfs/dbraw/zinc/00/41/18/256004118.db2.gz CMDJLCYADQQMPK-LRYGQEGESA-N 2 0 340.508 2.135 10 0 EEAERP CC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000271733077 256239109 /nfs/dbraw/zinc/23/91/09/256239109.db2.gz YWYVXZZXNYIBDR-RTBURBONSA-N 2 0 347.503 2.200 10 0 EEAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422779221 285435752 /nfs/dbraw/zinc/43/57/52/285435752.db2.gz FLIGHXIHKMLUSP-UXHICEINSA-N 2 0 329.488 2.139 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000115845203 152039555 /nfs/dbraw/zinc/03/95/55/152039555.db2.gz HKHAVSFKPAGTEM-INIZCTEOSA-N 2 0 336.455 2.123 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000357677252 153284796 /nfs/dbraw/zinc/28/47/96/153284796.db2.gz SPSWZDGAHPZPGN-INIZCTEOSA-N 2 0 346.475 2.003 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000247253736 160317232 /nfs/dbraw/zinc/31/72/32/160317232.db2.gz YMXVLCMGTYSSBX-MNZLEMJZSA-N 2 0 344.503 2.276 10 0 EEAERP C[C@@H](c1nc(C(C)(C)C)no1)N(C)CCC[N@H+](C)CCN(C)C ZINC000344041538 161192760 /nfs/dbraw/zinc/19/27/60/161192760.db2.gz WEZWPAPHRKAKJV-AWEZNQCLSA-N 2 0 325.501 2.243 10 0 EEAERP CC[NH+](CC)Cc1cccc(NC(=O)CN2CC[NH+](CC)CC2)c1 ZINC000360154066 164245381 /nfs/dbraw/zinc/24/53/81/164245381.db2.gz FULKUKRNULZMFP-UHFFFAOYSA-N 2 0 332.492 2.104 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000375854759 167212304 /nfs/dbraw/zinc/21/23/04/167212304.db2.gz WDKORRINFUXXKE-FGTMMUONSA-N 2 0 333.451 2.408 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(=O)NCC[NH+](C)C ZINC000157370817 292567529 /nfs/dbraw/zinc/56/75/29/292567529.db2.gz UBTHRDSOAHYYLE-SFHVURJKSA-N 2 0 330.476 2.350 10 0 EEAERP CC(C)(C)[C@@H](O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357455 275111203 /nfs/dbraw/zinc/11/12/03/275111203.db2.gz GWAGGAKLBXQQPN-UXHICEINSA-N 2 0 345.531 2.286 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000290799599 275241213 /nfs/dbraw/zinc/24/12/13/275241213.db2.gz UQRJEPXCMVRMOQ-CQSZACIVSA-N 2 0 338.471 2.415 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000369917690 279038180 /nfs/dbraw/zinc/03/81/80/279038180.db2.gz CBXJBXJDONBLNG-QGZVFWFLSA-N 2 0 344.503 2.407 10 0 EEAERP C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1C[NH2+]C1 ZINC000422867873 279456962 /nfs/dbraw/zinc/45/69/62/279456962.db2.gz TZOISXKUUAGANL-NSHDSACASA-N 2 0 328.382 2.267 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000297030255 294133631 /nfs/dbraw/zinc/13/36/31/294133631.db2.gz LXIDKVLEFQIWEQ-HDDXRBDOSA-N 2 0 342.487 2.356 10 0 EEAERP C[NH+]1CCN(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166027789 311390992 /nfs/dbraw/zinc/39/09/92/311390992.db2.gz ZCXHEDDBHOCKSP-AZUAARDMSA-N 2 0 331.504 2.381 10 0 EEAERP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000333575911 312168422 /nfs/dbraw/zinc/16/84/22/312168422.db2.gz NABZTDCRZGNVQT-IHRRRGAJSA-N 2 0 334.489 2.469 10 0 EEAERP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000333575915 312168607 /nfs/dbraw/zinc/16/86/07/312168607.db2.gz NABZTDCRZGNVQT-MJBXVCDLSA-N 2 0 334.489 2.469 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000333658692 312179158 /nfs/dbraw/zinc/17/91/58/312179158.db2.gz WSNDSWJKCKKOMH-PJVZLEMVSA-N 2 0 342.487 2.201 10 0 EEAERP CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H]1C(F)(F)F ZINC000414758237 313078707 /nfs/dbraw/zinc/07/87/07/313078707.db2.gz MKOBEZCKJKSBPE-STQMWFEESA-N 2 0 335.414 2.094 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414830909 313099073 /nfs/dbraw/zinc/09/90/73/313099073.db2.gz MMCWDZADZOVWCZ-GOSISDBHSA-N 3 0 330.520 2.308 10 0 EEAERP CCCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000417655711 313557041 /nfs/dbraw/zinc/55/70/41/313557041.db2.gz FQIARSQBJFKGOG-MRXNPFEDSA-N 2 0 336.455 2.171 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418365487 313794687 /nfs/dbraw/zinc/79/46/87/313794687.db2.gz XUUAVQNJYFENDE-GJZGRUSLSA-N 2 0 340.418 2.106 10 0 EEAERP CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC([NH3+])C1 ZINC000515143176 316463882 /nfs/dbraw/zinc/46/38/82/316463882.db2.gz XCQMYKONEOTEBK-UHFFFAOYSA-N 2 0 330.476 2.304 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000531357655 317788947 /nfs/dbraw/zinc/78/89/47/317788947.db2.gz PRWYOTDZGJYKRG-GOSISDBHSA-N 2 0 331.504 2.448 10 0 EEAERP CN(CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cc[nH+]cc1 ZINC000542783876 318139780 /nfs/dbraw/zinc/13/97/80/318139780.db2.gz FZMWGGSHMLJIFC-KRWDZBQOSA-N 2 0 330.476 2.098 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000561134812 318825951 /nfs/dbraw/zinc/82/59/51/318825951.db2.gz QFNCYURLDIKCMN-KBXCAEBGSA-N 2 0 348.466 2.087 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Cc1ccc(F)cc1C ZINC000564988500 319136174 /nfs/dbraw/zinc/13/61/74/319136174.db2.gz ANLHLNCGOKTWKA-CGTJXYLNSA-N 2 0 335.467 2.288 10 0 EEAERP COc1cccc([C@H](C)[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000566906097 319330978 /nfs/dbraw/zinc/33/09/78/319330978.db2.gz NHYGASFILZXWTB-AWEZNQCLSA-N 2 0 341.459 2.331 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000567842556 319425183 /nfs/dbraw/zinc/42/51/83/319425183.db2.gz RSKXAWKALFZDOR-ZWKOTPCHSA-N 2 0 333.451 2.249 10 0 EEAERP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000576238816 320154522 /nfs/dbraw/zinc/15/45/22/320154522.db2.gz JRYVHTVWEAZPEU-UHFFFAOYSA-N 2 0 349.523 2.171 10 0 EEAERP COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111064 320294769 /nfs/dbraw/zinc/29/47/69/320294769.db2.gz PMUPWOQLKWHODX-OXQOHEQNSA-N 2 0 343.471 2.338 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[NH2+][C@@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000580645125 324103474 /nfs/dbraw/zinc/10/34/74/324103474.db2.gz WVNGIQWUTCFNDZ-BYNBJNPRSA-N 2 0 343.471 2.087 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000581833322 324326377 /nfs/dbraw/zinc/32/63/77/324326377.db2.gz JIODEHNWJMSJIH-HKUYNNGSSA-N 2 0 329.488 2.451 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000355070180 465222386 /nfs/dbraw/zinc/22/23/86/465222386.db2.gz CQTMCTHODGYNPJ-GOSISDBHSA-N 2 0 348.466 2.380 10 0 EEAERP COc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1C[NH+]1CCCC1 ZINC000089885245 462733772 /nfs/dbraw/zinc/73/37/72/462733772.db2.gz WFIIHBQTZGWVBU-HNNXBMFYSA-N 2 0 333.476 2.466 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139387720 463323745 /nfs/dbraw/zinc/32/37/45/463323745.db2.gz XLFWOGDRPFCPIY-INIZCTEOSA-N 2 0 345.491 2.044 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105075295 463435493 /nfs/dbraw/zinc/43/54/93/463435493.db2.gz BSKNZKDRFGXTRR-MSOLQXFVSA-N 2 0 330.476 2.169 10 0 EEAERP NC(=O)C1CC[NH+](CCC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000071852310 463440881 /nfs/dbraw/zinc/44/08/81/463440881.db2.gz FRGQKPIXHKGSFA-UHFFFAOYSA-N 2 0 343.393 2.382 10 0 EEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000105845794 463477892 /nfs/dbraw/zinc/47/78/92/463477892.db2.gz LJNCLQOGMFXKGT-OAQYLSRUSA-N 2 0 345.531 2.346 10 0 EEAERP Cc1ccc([C@@H](C[NH2+]C2CCN(C(N)=O)CC2)N2CCCC2)cc1 ZINC000124990395 463488363 /nfs/dbraw/zinc/48/83/63/463488363.db2.gz VYCKZNIWPUWAML-GOSISDBHSA-N 2 0 330.476 2.265 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000108544321 463613214 /nfs/dbraw/zinc/61/32/14/463613214.db2.gz PMWVTNWRPRVEOL-IBGZPJMESA-N 2 0 344.503 2.423 10 0 EEAERP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261875851 463884835 /nfs/dbraw/zinc/88/48/35/463884835.db2.gz DRJAIHLIQLDXJP-QRVBRYPASA-N 2 0 348.487 2.267 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N(C)Cc1ccccc1 ZINC000261913229 463898133 /nfs/dbraw/zinc/89/81/33/463898133.db2.gz JFYKQSBHMGBFEZ-AFYVEPGGSA-N 2 0 331.504 2.254 10 0 EEAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194673781 463906941 /nfs/dbraw/zinc/90/69/41/463906941.db2.gz GPPUDTJYTXHPSC-BRWVUGGUSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1cccn2c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cnc12 ZINC000179516841 464150191 /nfs/dbraw/zinc/15/01/91/464150191.db2.gz NBVPZBPHSJOBEW-INIZCTEOSA-N 2 0 330.476 2.167 10 0 EEAERP C[N@@H+](Cc1cnc[nH]1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179518619 464150767 /nfs/dbraw/zinc/15/07/67/464150767.db2.gz ITSXNKVZKUBWGB-IBGZPJMESA-N 2 0 328.460 2.287 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271711003 464369105 /nfs/dbraw/zinc/36/91/05/464369105.db2.gz MRXRMSUJZBLCJN-CQSZACIVSA-N 2 0 339.505 2.107 10 0 EEAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnnn3Cc3ccccc3)C2)CC1 ZINC000292868656 464370574 /nfs/dbraw/zinc/37/05/74/464370574.db2.gz WENPIUIVVYJAEE-LJQANCHMSA-N 2 0 339.487 2.490 10 0 EEAERP CN(c1ccccc1CN1CC[N@@H+]2CCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000245753418 464513297 /nfs/dbraw/zinc/51/32/97/464513297.db2.gz OEJDPFMHPCUSOZ-FQEVSTJZSA-N 2 0 342.531 2.497 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246347647 464574424 /nfs/dbraw/zinc/57/44/24/464574424.db2.gz OVTJJYZYDXXIML-QGPMSJSTSA-N 2 0 330.476 2.214 10 0 EEAERP COC(=O)c1coc(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190485829 464657122 /nfs/dbraw/zinc/65/71/22/464657122.db2.gz UFTQZQXOJJURAL-MRXNPFEDSA-N 2 0 343.427 2.415 10 0 EEAERP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CCOc3ccccc32)CCN1C ZINC000348276981 465527232 /nfs/dbraw/zinc/52/72/32/465527232.db2.gz QPIMHEZSKDZBGD-JKSUJKDBSA-N 2 0 331.460 2.217 10 0 EEAERP C[N@@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000339937280 465617469 /nfs/dbraw/zinc/61/74/69/465617469.db2.gz PFORCWSIUZKOPF-LJQANCHMSA-N 2 0 344.503 2.388 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000360988212 465686512 /nfs/dbraw/zinc/68/65/12/465686512.db2.gz XNTQHPJVKSMLRE-NZSAHSFTSA-N 2 0 329.488 2.498 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)C(C)C ZINC000340095021 465762478 /nfs/dbraw/zinc/76/24/78/465762478.db2.gz PGCDAYQUJPYCDV-ROUUACIJSA-N 2 0 332.492 2.461 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)CCO1 ZINC000353464329 465903131 /nfs/dbraw/zinc/90/31/31/465903131.db2.gz UIJPULQTEQIMSI-LULLPPNCSA-N 2 0 344.503 2.269 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000357348100 465970476 /nfs/dbraw/zinc/97/04/76/465970476.db2.gz MKOHBYOYHWKYTO-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000338403924 466096551 /nfs/dbraw/zinc/09/65/51/466096551.db2.gz AGWAABBZAWJCLB-UHFFFAOYSA-N 2 0 342.491 2.259 10 0 EEAERP Nc1nc(NC2CC[NH+](C3CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645183014 471168612 /nfs/dbraw/zinc/16/86/12/471168612.db2.gz SVTISGIEEISBQQ-UHFFFAOYSA-N 2 0 329.492 2.569 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000417173069 466795792 /nfs/dbraw/zinc/79/57/92/466795792.db2.gz KZVMNEYFEGPCQM-PKOBYXMFSA-N 2 0 348.466 2.214 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417253559 466816491 /nfs/dbraw/zinc/81/64/91/466816491.db2.gz LRVZZCPFZOKRLH-HPFXQQBRSA-N 2 0 332.492 2.352 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000417636377 466895938 /nfs/dbraw/zinc/89/59/38/466895938.db2.gz XRRIALPOPSQUNB-ZOBUZTSGSA-N 2 0 332.492 2.413 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1F ZINC000417665322 466903919 /nfs/dbraw/zinc/90/39/19/466903919.db2.gz YJJKREBTMHCXAQ-QILLFSRXSA-N 2 0 348.466 2.156 10 0 EEAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccnc3N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424262090 467016103 /nfs/dbraw/zinc/01/61/03/467016103.db2.gz DCMXYVJGXMWDNF-QGFMHUBQSA-N 2 0 344.503 2.127 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424292058 467023835 /nfs/dbraw/zinc/02/38/35/467023835.db2.gz NYQRLQWTVHMPKB-LSDHHAIUSA-N 2 0 333.451 2.467 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418139764 467056173 /nfs/dbraw/zinc/05/61/73/467056173.db2.gz WAWMRKDFZZEQTP-AOCRQIFASA-N 2 0 334.508 2.034 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418182323 467067725 /nfs/dbraw/zinc/06/77/25/467067725.db2.gz MKSYTBQQEXUPMB-LEUOFYLZSA-N 2 0 330.476 2.071 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000418550566 467127648 /nfs/dbraw/zinc/12/76/48/467127648.db2.gz HUCCJJUKSBSORS-KDOFPFPSSA-N 2 0 330.476 2.162 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418572797 467130492 /nfs/dbraw/zinc/13/04/92/467130492.db2.gz KRDXOFGPLOQZJW-LMMKCTJWSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000418591031 467133145 /nfs/dbraw/zinc/13/31/45/467133145.db2.gz KAPMJOGRVHZEBW-LMMKCTJWSA-N 2 0 344.503 2.148 10 0 EEAERP C[N@H+](C[C@@H](O)CNC[C@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000379652940 467369786 /nfs/dbraw/zinc/36/97/86/467369786.db2.gz YMQKIPIUBTZQSZ-UXHICEINSA-N 2 0 331.504 2.086 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414324121 467402608 /nfs/dbraw/zinc/40/26/08/467402608.db2.gz IIYVXSYIMKJEBN-UHFFFAOYSA-N 2 0 330.519 2.363 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000457102727 467752300 /nfs/dbraw/zinc/75/23/00/467752300.db2.gz AHTFBPQUOJGTBL-INIZCTEOSA-N 2 0 333.476 2.182 10 0 EEAERP Cn1cncc1CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000459340873 467954405 /nfs/dbraw/zinc/95/44/05/467954405.db2.gz JILRVHSZAYUEPI-UHFFFAOYSA-N 2 0 347.551 2.091 10 0 EEAERP COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000530247704 467968164 /nfs/dbraw/zinc/96/81/64/467968164.db2.gz CGJALUVGFNYPTK-SFHVURJKSA-N 2 0 334.460 2.294 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493916645 468005377 /nfs/dbraw/zinc/00/53/77/468005377.db2.gz LTZACJSGQXGUDZ-QHGAOEGBSA-N 2 0 331.504 2.350 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567731181 468198005 /nfs/dbraw/zinc/19/80/05/468198005.db2.gz GXOCICNLAKZCSS-MAUKXSAKSA-N 2 0 330.476 2.129 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578742286 468248666 /nfs/dbraw/zinc/24/86/66/468248666.db2.gz PGXOVMLFOWEHLM-QUCCMNQESA-N 2 0 342.487 2.046 10 0 EEAERP CN(C)Cc1ccc(NC(=O)Cn2ccnc2)cc1Br ZINC000569657731 468522303 /nfs/dbraw/zinc/52/23/03/468522303.db2.gz SZQPWMJDWXVEKU-UHFFFAOYSA-N 2 0 337.221 2.346 10 0 EEAERP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000570044356 468582662 /nfs/dbraw/zinc/58/26/62/468582662.db2.gz GVYFIPZONWDZPP-HDICACEKSA-N 2 0 340.471 2.431 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2COc3cccc(C)c3C2)CC[NH2+]CC1 ZINC000600708190 468628268 /nfs/dbraw/zinc/62/82/68/468628268.db2.gz JQMSJDAGALEWAS-HZPDHXFCSA-N 2 0 346.471 2.210 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)CC[N@@H+]1C ZINC000592393356 468688923 /nfs/dbraw/zinc/68/89/23/468688923.db2.gz GSAIWLNWCUAOBT-CABCVRRESA-N 2 0 326.481 2.197 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000601269347 468805692 /nfs/dbraw/zinc/80/56/92/468805692.db2.gz RAQINGNAOJCPTG-OALUTQOASA-N 2 0 346.519 2.331 10 0 EEAERP CN1CCN(c2cc[nH+]cc2NC(=O)c2nc3c(s2)CCC3)CC1 ZINC000560971088 468856478 /nfs/dbraw/zinc/85/64/78/468856478.db2.gz KTMDOLOZTVVWEF-UHFFFAOYSA-N 2 0 343.456 2.031 10 0 EEAERP 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/nfs/dbraw/zinc/45/84/14/469458414.db2.gz LZPGVHSKTMBMGD-MSOLQXFVSA-N 2 0 338.467 2.333 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000616982647 469558358 /nfs/dbraw/zinc/55/83/58/469558358.db2.gz MFRUUJNVUYLWEN-HZPDHXFCSA-N 2 0 334.464 2.200 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000629529179 469573246 /nfs/dbraw/zinc/57/32/46/469573246.db2.gz UPOQCOILRCSAEJ-AWEZNQCLSA-N 2 0 343.265 2.488 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531866 469574063 /nfs/dbraw/zinc/57/40/63/469574063.db2.gz BLVCCMZNKBKPHX-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531865 469574485 /nfs/dbraw/zinc/57/44/85/469574485.db2.gz BLVCCMZNKBKPHX-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1Br ZINC000629535310 469574722 /nfs/dbraw/zinc/57/47/22/469574722.db2.gz DFFQQQOCYBRYDB-NSHDSACASA-N 2 0 331.254 2.474 10 0 EEAERP CC[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[NH+](CC)CC ZINC000617113122 469596858 /nfs/dbraw/zinc/59/68/58/469596858.db2.gz YFHPNQPPUGMEOK-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623400947 469643709 /nfs/dbraw/zinc/64/37/09/469643709.db2.gz LDQYTZSGVLVYGJ-WDSOQIARSA-N 2 0 343.519 2.403 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617351851 469654994 /nfs/dbraw/zinc/65/49/94/469654994.db2.gz QOHQRIKTAYPSMH-HNNXBMFYSA-N 2 0 333.476 2.230 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)CC1(C)C ZINC000623526213 469684562 /nfs/dbraw/zinc/68/45/62/469684562.db2.gz RMXKDDQGYLTOGO-ZDUSSCGKSA-N 2 0 329.286 2.498 10 0 EEAERP C[C@@H](CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000626991615 469779902 /nfs/dbraw/zinc/77/99/02/469779902.db2.gz JDUUBWDBNFNDBZ-RYRKJORJSA-N 2 0 332.492 2.337 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000620192922 469784730 /nfs/dbraw/zinc/78/47/30/469784730.db2.gz WRELPNFNYHXTJB-MOPGFXCFSA-N 2 0 341.499 2.357 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620195142 469785992 /nfs/dbraw/zinc/78/59/92/469785992.db2.gz ABXHZTPEQFUIGS-SFHVURJKSA-N 2 0 341.499 2.499 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000625285764 470112207 /nfs/dbraw/zinc/11/22/07/470112207.db2.gz GNLIXCPDHDYBOQ-MSOLQXFVSA-N 2 0 335.467 2.271 10 0 EEAERP Cc1nccn1CCCN(C)C(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000632019825 470196531 /nfs/dbraw/zinc/19/65/31/470196531.db2.gz IYKROZFIPLVODZ-UHFFFAOYSA-N 2 0 337.427 2.468 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634711472 470284031 /nfs/dbraw/zinc/28/40/31/470284031.db2.gz PJJDTWCXJKMMJC-YRLHULLVSA-N 2 0 346.515 2.399 10 0 EEAERP CCC[C@H]1CN(C(=O)NC/C=C\C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641866428 470504454 /nfs/dbraw/zinc/50/44/54/470504454.db2.gz BLIZONARAMQKHS-MJRGOJFPSA-N 2 0 330.476 2.197 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)CC3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000646296307 470594344 /nfs/dbraw/zinc/59/43/44/470594344.db2.gz BNPRMQJJHFQVLZ-HKUYNNGSSA-N 2 0 343.471 2.361 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000646922607 470778032 /nfs/dbraw/zinc/77/80/32/470778032.db2.gz NMVMGPMDQHGYSR-RTBURBONSA-N 2 0 327.472 2.061 10 0 EEAERP Cn1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccncc2)n1 ZINC000647480616 470911917 /nfs/dbraw/zinc/91/19/17/470911917.db2.gz VHMQMXPZVVGKRO-AEFFLSMTSA-N 2 0 325.460 2.446 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc21 ZINC000647901159 471012516 /nfs/dbraw/zinc/01/25/16/471012516.db2.gz JSXXKDPCAUBAMX-MSOLQXFVSA-N 2 0 327.472 2.430 10 0 EEAERP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)CO1 ZINC000657314061 471095083 /nfs/dbraw/zinc/09/50/83/471095083.db2.gz ZVHGUBUMBCKMMX-PMACEKPBSA-N 2 0 331.504 2.481 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccnn1-c1ccccc1 ZINC000657573412 471172708 /nfs/dbraw/zinc/17/27/08/471172708.db2.gz MUDYRWRPMSVTSY-KRWDZBQOSA-N 2 0 329.492 2.234 10 0 EEAERP O=C(NCCC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000652121506 471239427 /nfs/dbraw/zinc/23/94/27/471239427.db2.gz LKLZXBFYRIVZGJ-UHFFFAOYSA-N 2 0 344.503 2.471 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[C@H]1c1ccccc1 ZINC000652174452 471250085 /nfs/dbraw/zinc/25/00/85/471250085.db2.gz UOLWCDSTRWKOKK-XFKSJGNHSA-N 2 0 342.487 2.202 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000658108219 471266956 /nfs/dbraw/zinc/26/69/56/471266956.db2.gz PXLJGVWMQQFGHF-RCCFBDPRSA-N 2 0 335.540 2.308 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000652286714 471267189 /nfs/dbraw/zinc/26/71/89/471267189.db2.gz CQKKLZHHTYORKH-QGZVFWFLSA-N 2 0 344.503 2.279 10 0 EEAERP COCc1n[nH]c(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000658158366 471273794 /nfs/dbraw/zinc/27/37/94/471273794.db2.gz ZAKBQFPTWQEGBN-UHFFFAOYSA-N 2 0 343.475 2.484 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000663502773 471402753 /nfs/dbraw/zinc/40/27/53/471402753.db2.gz LPELXPHDUHSMEG-DZGCQCFKSA-N 2 0 337.464 2.384 10 0 EEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660676968 471442083 /nfs/dbraw/zinc/44/20/83/471442083.db2.gz VRPUNPSAPRCQGQ-INIZCTEOSA-N 2 0 344.503 2.415 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659047784 471487452 /nfs/dbraw/zinc/48/74/52/471487452.db2.gz VGUFKPCJOMNODV-YOEHRIQHSA-N 2 0 334.464 2.198 10 0 EEAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653109454 471492597 /nfs/dbraw/zinc/49/25/97/471492597.db2.gz BTDYZYCKEZKAPM-RBUKOAKNSA-N 2 0 327.472 2.082 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000659443341 471630902 /nfs/dbraw/zinc/63/09/02/471630902.db2.gz ZUHOONMDYKAHRF-RYQLBKOJSA-N 2 0 332.492 2.495 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N(C)CC3C[NH+](C)C3)CC2)CC1 ZINC000664512439 471775589 /nfs/dbraw/zinc/77/55/89/471775589.db2.gz BNDFAKBKAMNPAZ-UHFFFAOYSA-N 2 0 336.524 2.233 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)s1 ZINC000667680536 471864124 /nfs/dbraw/zinc/86/41/24/471864124.db2.gz JRCTYUNFNFUDPH-UHFFFAOYSA-N 2 0 348.447 2.224 10 0 EEAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667680874 471864143 /nfs/dbraw/zinc/86/41/43/471864143.db2.gz UXYODOAEQSJJGW-UHFFFAOYSA-N 2 0 334.508 2.400 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000664966880 471913062 /nfs/dbraw/zinc/91/30/62/471913062.db2.gz UVYOYEXQDZZASG-WDSOQIARSA-N 2 0 346.519 2.361 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CC(C)C ZINC000654364204 471928815 /nfs/dbraw/zinc/92/88/15/471928815.db2.gz QNTQTJZZYUMLSV-BBWFWOEESA-N 2 0 326.529 2.382 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654478773 471974113 /nfs/dbraw/zinc/97/41/13/471974113.db2.gz LBWDWXQTVWJKJY-HDICACEKSA-N 2 0 338.540 2.384 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)C1 ZINC000665272744 471986389 /nfs/dbraw/zinc/98/63/89/471986389.db2.gz JZFQAEGSWUHGMB-MSOLQXFVSA-N 2 0 328.504 2.201 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000665289425 471990974 /nfs/dbraw/zinc/99/09/74/471990974.db2.gz NQJXKQOHRYSUCZ-LJQANCHMSA-N 2 0 345.487 2.350 10 0 EEAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280335 472054084 /nfs/dbraw/zinc/05/40/84/472054084.db2.gz OBFXKAUIKMLMSO-HOTGVXAUSA-N 2 0 326.444 2.022 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000662514564 472136027 /nfs/dbraw/zinc/13/60/27/472136027.db2.gz OUWRVFYMCAUIPG-XWSJACJDSA-N 2 0 343.471 2.217 10 0 EEAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc21 ZINC000662564999 472156123 /nfs/dbraw/zinc/15/61/23/472156123.db2.gz DDCOFBBHGZGHLQ-KURKYZTESA-N 2 0 327.472 2.137 10 0 EEAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668732103 472243351 /nfs/dbraw/zinc/24/33/51/472243351.db2.gz FZRAAOMQPLSPNJ-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C1 ZINC000668738213 472245764 /nfs/dbraw/zinc/24/57/64/472245764.db2.gz CINPVVJNOPIUOG-LJQANCHMSA-N 2 0 330.472 2.085 10 0 EEAERP [NH3+]C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002771 472323648 /nfs/dbraw/zinc/32/36/48/472323648.db2.gz IXMWZCSBNIOEAE-CRAIPNDOSA-N 2 0 333.451 2.106 10 0 EEAERP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658142568 485571823 /nfs/dbraw/zinc/57/18/23/485571823.db2.gz YOXVOSARTLNVGV-MAUKXSAKSA-N 2 0 326.444 2.202 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000629541293 485730728 /nfs/dbraw/zinc/73/07/28/485730728.db2.gz YGRLABKYZUQWPB-DLBZAZTESA-N 2 0 326.868 2.385 10 0 EEAERP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000684370240 485861253 /nfs/dbraw/zinc/86/12/53/485861253.db2.gz QGXPXGALFKQIHF-VQTJNVASSA-N 2 0 331.504 2.481 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC2(CCC[NH+]2C)CC1 ZINC000680076244 485882367 /nfs/dbraw/zinc/88/23/67/485882367.db2.gz IHDNURPEDUOAPS-LJQANCHMSA-N 2 0 331.504 2.040 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)C(C)=O ZINC000676526438 486249833 /nfs/dbraw/zinc/24/98/33/486249833.db2.gz NSLZVMSBCAUXSO-KRWDZBQOSA-N 2 0 339.524 2.256 10 0 EEAERP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000682915157 486584239 /nfs/dbraw/zinc/58/42/39/486584239.db2.gz LCTJOOIMSLGRHR-ZFWWWQNUSA-N 2 0 326.431 2.436 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCS(=O)(=O)CC1 ZINC000187209418 533919082 /nfs/dbraw/zinc/91/90/82/533919082.db2.gz GCGJXQIJRXJWMH-ZDUSSCGKSA-N 2 0 342.480 2.190 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000416167908 534413810 /nfs/dbraw/zinc/41/38/10/534413810.db2.gz VGUSRBKRGKMJQA-UHFFFAOYSA-N 2 0 327.472 2.132 10 0 EEAERP [NH3+][C@@H]1CC[C@H](CNN2CCO[C@@H](c3c(F)cccc3Cl)C2)C1 ZINC000926170569 676669930 /nfs/dbraw/zinc/66/99/30/676669930.db2.gz LGUMINFCVSBAIN-YWPYICTPSA-N 2 0 327.831 2.484 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1)N1CC[NH2+]CC1 ZINC000262138987 684014909 /nfs/dbraw/zinc/01/49/09/684014909.db2.gz ONVVJOVVIKKICC-QFIPXVFZSA-N 2 0 349.478 2.456 10 0 EEAERP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925591505 684585908 /nfs/dbraw/zinc/58/59/08/684585908.db2.gz QFJXTXPWRPXAOU-FGTMMUONSA-N 2 0 331.460 2.390 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[NH2+]C(C)(C)C2)CC1 ZINC000263247307 689566795 /nfs/dbraw/zinc/56/67/95/689566795.db2.gz NHZWIBGXIUBKOF-UHFFFAOYSA-N 2 0 330.520 2.402 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001485522107 1191824859 /nfs/dbraw/zinc/82/48/59/1191824859.db2.gz KTXHOPJVABRZES-AWEZNQCLSA-N 2 0 337.895 2.271 10 0 EEAERP COc1ccc(C)cc1C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485541207 1191828735 /nfs/dbraw/zinc/82/87/35/1191828735.db2.gz YKMUPSMFFNYKBU-MRXNPFEDSA-N 2 0 347.503 2.280 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)oc1C ZINC001485722717 1191909862 /nfs/dbraw/zinc/90/98/62/1191909862.db2.gz PMSDQNOFSOIEFU-XNRPHZJLSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)s1 ZINC001485792764 1191955265 /nfs/dbraw/zinc/95/52/65/1191955265.db2.gz PVQGCZYEGZGAPW-MRXNPFEDSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1csc(C[NH2+][C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)n1 ZINC001485792793 1191955365 /nfs/dbraw/zinc/95/53/65/1191955365.db2.gz QLLBVEWCMWFPLR-HUUCEWRRSA-N 2 0 338.521 2.024 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cnoc1C)C1CC1 ZINC001485815153 1191978905 /nfs/dbraw/zinc/97/89/05/1191978905.db2.gz XHRWKTHLWZLSED-MSOLQXFVSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001272733377 1192403701 /nfs/dbraw/zinc/40/37/01/1192403701.db2.gz CLWXHODCPYFYBK-LUKYLMHMSA-N 2 0 327.488 2.341 10 0 EEAERP O=C(NCC[N@H+](CC1=CCCCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001266591984 1176902542 /nfs/dbraw/zinc/90/25/42/1176902542.db2.gz DTDHZAUZHYCOCT-IBGZPJMESA-N 2 0 331.504 2.409 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001266759887 1177367638 /nfs/dbraw/zinc/36/76/38/1177367638.db2.gz LOMSEZIGMXVMOK-SFHVURJKSA-N 2 0 345.487 2.051 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CCCCC1 ZINC001266798022 1177448309 /nfs/dbraw/zinc/44/83/09/1177448309.db2.gz IZUXLQPWRGYWPR-INIZCTEOSA-N 2 0 327.488 2.296 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1Cl)C(=O)C1CC[NH+](C)CC1 ZINC001266827378 1177500321 /nfs/dbraw/zinc/50/03/21/1177500321.db2.gz VAHXDJABKAHJAA-UHFFFAOYSA-N 2 0 337.895 2.272 10 0 EEAERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001266869495 1177642843 /nfs/dbraw/zinc/64/28/43/1177642843.db2.gz AVJBSKJQNAMAKD-CQSZACIVSA-N 2 0 332.423 2.306 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCO1)C1CCC1 ZINC001266870449 1177654161 /nfs/dbraw/zinc/65/41/61/1177654161.db2.gz JZTKURXBLLYJKP-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266883006 1177699161 /nfs/dbraw/zinc/69/91/61/1177699161.db2.gz TUXHMJSYLBHGTG-PKOBYXMFSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691306262 1177874073 /nfs/dbraw/zinc/87/40/73/1177874073.db2.gz TVYXMYRHEAMQSJ-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001691310349 1177884727 /nfs/dbraw/zinc/88/47/27/1177884727.db2.gz ZULCXDQHUFCYLH-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001691317603 1177898853 /nfs/dbraw/zinc/89/88/53/1177898853.db2.gz ZZNFPYNCMLHLOS-HNNXBMFYSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691409334 1178017714 /nfs/dbraw/zinc/01/77/14/1178017714.db2.gz BXKAETHTICQILK-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001267046191 1178144122 /nfs/dbraw/zinc/14/41/22/1178144122.db2.gz XZHPQJJVXXJJDD-GFCCVEGCSA-N 2 0 334.291 2.228 10 0 EEAERP CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)C1CC[NH+](C)CC1 ZINC001698995026 1178574118 /nfs/dbraw/zinc/57/41/18/1178574118.db2.gz YLIUEMLOJRZUIP-UHFFFAOYSA-N 2 0 337.430 2.451 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001267373449 1178887103 /nfs/dbraw/zinc/88/71/03/1178887103.db2.gz VXVFNESTVWLVHG-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001267387060 1178948168 /nfs/dbraw/zinc/94/81/68/1178948168.db2.gz DXPXFBZEHPYWHY-SFHVURJKSA-N 2 0 330.476 2.302 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC[C@H]1CCCCO1 ZINC001267393488 1178964194 /nfs/dbraw/zinc/96/41/94/1178964194.db2.gz IPARCHWRGPMARS-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)O1 ZINC001267409017 1178982194 /nfs/dbraw/zinc/98/21/94/1178982194.db2.gz OXRLIVIKLKQYLL-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]Cc1cccc2cccnc21)C(=O)CCC[NH+](C)C ZINC001267419634 1178985451 /nfs/dbraw/zinc/98/54/51/1178985451.db2.gz PPIKZLLCGCCXLE-UHFFFAOYSA-N 2 0 328.460 2.125 10 0 EEAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CC(F)(F)C1 ZINC001480980810 1179418238 /nfs/dbraw/zinc/41/82/38/1179418238.db2.gz WKMPLFQSRBISOC-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC001481071056 1179680027 /nfs/dbraw/zinc/68/00/27/1179680027.db2.gz LISFNCDQJBAKRN-KBPBESRZSA-N 2 0 348.318 2.247 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1cnccc1C ZINC001481136718 1179896646 /nfs/dbraw/zinc/89/66/46/1179896646.db2.gz MYGJGDLHYSTFJZ-RBUKOAKNSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001481239220 1180401965 /nfs/dbraw/zinc/40/19/65/1180401965.db2.gz MISSAGQOYFVPSQ-UHFFFAOYSA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001267829687 1180597430 /nfs/dbraw/zinc/59/74/30/1180597430.db2.gz ZHWNOEAJNMFKLC-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001267873183 1180664169 /nfs/dbraw/zinc/66/41/69/1180664169.db2.gz HKUZZYNWEHMXIU-YJBOKZPZSA-N 2 0 327.488 2.343 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001267908447 1180744819 /nfs/dbraw/zinc/74/48/19/1180744819.db2.gz DZEIAVUKGCHFHV-QZTJIDSGSA-N 2 0 339.499 2.295 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001267932072 1180783036 /nfs/dbraw/zinc/78/30/36/1180783036.db2.gz CPFLZDSWLXDVPY-XSLAGTTESA-N 2 0 339.524 2.303 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001481301831 1180960894 /nfs/dbraw/zinc/96/08/94/1180960894.db2.gz DBQWCJGIBWTWHE-QZTJIDSGSA-N 2 0 332.492 2.058 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302957 1180965919 /nfs/dbraw/zinc/96/59/19/1180965919.db2.gz UPPKSPCJKWVYTA-IEBWSBKVSA-N 2 0 343.515 2.496 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001268041399 1181450466 /nfs/dbraw/zinc/45/04/66/1181450466.db2.gz VRDWAUAOXCDMEK-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001481644292 1182042560 /nfs/dbraw/zinc/04/25/60/1182042560.db2.gz FMCYFAMKZROKSS-ZBFHGGJFSA-N 2 0 343.462 2.202 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001268288306 1182170852 /nfs/dbraw/zinc/17/08/52/1182170852.db2.gz RAKBAMDWEFVEJD-HUUCEWRRSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(COC)cc1 ZINC001481812285 1182740570 /nfs/dbraw/zinc/74/05/70/1182740570.db2.gz KAIXEQKQCUZCBZ-AYOQOUSVSA-N 2 0 347.503 2.158 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1conc1C ZINC001481827308 1182757518 /nfs/dbraw/zinc/75/75/18/1182757518.db2.gz CGHCRHLVTHTDSC-DLBZAZTESA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CCNCc1ccn(CC)n1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001268463305 1182766560 /nfs/dbraw/zinc/76/65/60/1182766560.db2.gz WYNSOKCEMLFIMF-UHFFFAOYSA-N 2 0 340.431 2.031 10 0 EEAERP CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001481863878 1182821954 /nfs/dbraw/zinc/82/19/54/1182821954.db2.gz JZCHJUOWVCYTRU-INIZCTEOSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)cc1F ZINC001481877534 1182872935 /nfs/dbraw/zinc/87/29/35/1182872935.db2.gz DXJWIMIRNKXBMP-OAHLLOKOSA-N 2 0 325.403 2.045 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]CC2CCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001481990668 1183097291 /nfs/dbraw/zinc/09/72/91/1183097291.db2.gz XHEKAVUEDUURRU-ICSRJNTNSA-N 2 0 333.520 2.491 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001482057507 1183260226 /nfs/dbraw/zinc/26/02/26/1183260226.db2.gz JMVVYQMFWMXEQP-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001268588224 1183387543 /nfs/dbraw/zinc/38/75/43/1183387543.db2.gz PPWZHCUWNWNODG-PLNGDYQASA-N 2 0 329.488 2.407 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001268588472 1183388630 /nfs/dbraw/zinc/38/86/30/1183388630.db2.gz SCZJODQZKNJWLE-CWDCEQMOSA-N 2 0 337.414 2.166 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCF)CC1 ZINC001268774699 1183692311 /nfs/dbraw/zinc/69/23/11/1183692311.db2.gz JVQUIFUJQULHIV-DLBZAZTESA-N 2 0 327.488 2.341 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)CC[NH+](C)C ZINC001268834661 1183751646 /nfs/dbraw/zinc/75/16/46/1183751646.db2.gz BKCIWJUGIQONRA-QGZVFWFLSA-N 2 0 339.430 2.342 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1nc2ccccc2o1 ZINC001268836998 1183751949 /nfs/dbraw/zinc/75/19/49/1183751949.db2.gz ZWSDKBYXNIVOIQ-CQSZACIVSA-N 2 0 332.448 2.279 10 0 EEAERP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001269580186 1184407868 /nfs/dbraw/zinc/40/78/68/1184407868.db2.gz SWFSYAOQXFMVHR-AYHJJNSGSA-N 2 0 337.508 2.011 10 0 EEAERP OCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453207061 1185242857 /nfs/dbraw/zinc/24/28/57/1185242857.db2.gz HNQDLGLPZUXYKT-VAMGGRTRSA-N 2 0 332.488 2.418 10 0 EEAERP OCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453207066 1185243126 /nfs/dbraw/zinc/24/31/26/1185243126.db2.gz HNQDLGLPZUXYKT-ZCNNSNEGSA-N 2 0 332.488 2.418 10 0 EEAERP COCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001270899713 1185693140 /nfs/dbraw/zinc/69/31/40/1185693140.db2.gz WEOCSXMAHSXSSX-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271628113 1186342852 /nfs/dbraw/zinc/34/28/52/1186342852.db2.gz CLHXQPFYAHUWCU-MJGOQNOKSA-N 2 0 343.515 2.398 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccn2)C(C)C)C1 ZINC001482551028 1186658517 /nfs/dbraw/zinc/65/85/17/1186658517.db2.gz WDJCGVCWXVQGJK-HKUYNNGSSA-N 2 0 346.519 2.434 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccns2)CC1 ZINC001482885032 1187800822 /nfs/dbraw/zinc/80/08/22/1187800822.db2.gz DKKALAFLMPQDEB-CQSZACIVSA-N 2 0 338.521 2.248 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)noc1C ZINC001482903125 1187828612 /nfs/dbraw/zinc/82/86/12/1187828612.db2.gz XDKXZDXSPXZSLB-DYVFJYSZSA-N 2 0 336.480 2.150 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001482991387 1187969196 /nfs/dbraw/zinc/96/91/96/1187969196.db2.gz QFVWHMXCTLSDFL-WOMSROEHSA-N 2 0 339.842 2.335 10 0 EEAERP C[C@H](CNCc1csc(-c2ccco2)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483117258 1188539170 /nfs/dbraw/zinc/53/91/70/1188539170.db2.gz YTUJRSWGHXIBMX-OCCSQVGLSA-N 2 0 348.472 2.092 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001409411076 1189628614 /nfs/dbraw/zinc/62/86/14/1189628614.db2.gz NVAVYEWBUGVGJP-STQMWFEESA-N 2 0 327.419 2.289 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC001409457774 1189709900 /nfs/dbraw/zinc/70/99/00/1189709900.db2.gz WBUPQMPFLUPMGW-ZWKOTPCHSA-N 2 0 346.519 2.386 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1C ZINC001409615298 1190102084 /nfs/dbraw/zinc/10/20/84/1190102084.db2.gz INLHXAGYBVKBEM-NVXWUHKLSA-N 2 0 347.503 2.282 10 0 EEAERP COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001409620287 1190111151 /nfs/dbraw/zinc/11/11/51/1190111151.db2.gz WFZMGPMCEGUNGB-JZXOWHBKSA-N 2 0 347.503 2.362 10 0 EEAERP Cc1nc(C)c(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001409624252 1190118994 /nfs/dbraw/zinc/11/89/94/1190118994.db2.gz WOWKCLHWYUMNBB-QWHCGFSZSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1cccc2cccnc21 ZINC001409682615 1190182990 /nfs/dbraw/zinc/18/29/90/1190182990.db2.gz MUFWHNIKVMXGIZ-QAPCUYQASA-N 2 0 340.471 2.123 10 0 EEAERP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001483339871 1190369858 /nfs/dbraw/zinc/36/98/58/1190369858.db2.gz UVQJCPSGZZEJAH-QFBILLFUSA-N 2 0 329.488 2.273 10 0 EEAERP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001483339870 1190369933 /nfs/dbraw/zinc/36/99/33/1190369933.db2.gz UVQJCPSGZZEJAH-LPHOPBHVSA-N 2 0 329.488 2.273 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)s1 ZINC001483444829 1190482655 /nfs/dbraw/zinc/48/26/55/1190482655.db2.gz XJIHMCNUOUTWTB-GDBMZVCRSA-N 2 0 338.521 2.168 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c2cnc(C)cn2)CC[N@@H+]1C ZINC001483468045 1190492642 /nfs/dbraw/zinc/49/26/42/1190492642.db2.gz YAOIDISVZFJEIC-SOLBZPMBSA-N 2 0 347.507 2.014 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483496671 1190513290 /nfs/dbraw/zinc/51/32/90/1190513290.db2.gz DOUCGRHZICHSHT-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1coc(C)n1 ZINC001483622098 1190607722 /nfs/dbraw/zinc/60/77/22/1190607722.db2.gz LFQFXXUXOOFVSJ-NVXWUHKLSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001691636541 1190739364 /nfs/dbraw/zinc/73/93/64/1190739364.db2.gz HVWHXKKCNURIDC-KRWDZBQOSA-N 2 0 327.513 2.112 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001483721667 1190818061 /nfs/dbraw/zinc/81/80/61/1190818061.db2.gz GPNLAQOOHJIUCT-YOEHRIQHSA-N 2 0 331.460 2.089 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)no1 ZINC001272598221 1190913384 /nfs/dbraw/zinc/91/33/84/1190913384.db2.gz BIJIZTGHTFIPAW-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483767469 1191001307 /nfs/dbraw/zinc/00/13/07/1191001307.db2.gz KUBUAYOVDNYFDF-OAHLLOKOSA-N 2 0 340.471 2.248 10 0 EEAERP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001483806886 1191052662 /nfs/dbraw/zinc/05/26/62/1191052662.db2.gz QUEGXYCKGSETJW-AYHJJNSGSA-N 2 0 339.524 2.255 10 0 EEAERP CN(C(=O)CC[NH+]1CCCCC1)C1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001483893150 1191111861 /nfs/dbraw/zinc/11/18/61/1191111861.db2.gz KMNRZVIHHZMMNJ-FGTMMUONSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001484002046 1191151575 /nfs/dbraw/zinc/15/15/75/1191151575.db2.gz DWMLEKKOQPCLEK-QZTJIDSGSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484344881 1191312625 /nfs/dbraw/zinc/31/26/25/1191312625.db2.gz PWXNZRNBDOOEGH-IAGOWNOFSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C2CC2)no1 ZINC001484466263 1191370110 /nfs/dbraw/zinc/37/01/10/1191370110.db2.gz XDUBHSNGJZNGBV-ROUUACIJSA-N 2 0 346.475 2.069 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCOCC(C)C ZINC001484466768 1191370577 /nfs/dbraw/zinc/37/05/77/1191370577.db2.gz WCJNYTPMHTVMFQ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484547027 1191408396 /nfs/dbraw/zinc/40/83/96/1191408396.db2.gz LYONBSHACKOEBB-SJLPKXTDSA-N 2 0 347.478 2.496 10 0 EEAERP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001484680949 1191464952 /nfs/dbraw/zinc/46/49/52/1191464952.db2.gz SBDRPPYXHFISPZ-WIJVFFIESA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCOCC2CCC2)CC1)[NH+](C)C ZINC001484724730 1191484946 /nfs/dbraw/zinc/48/49/46/1191484946.db2.gz UXHSXOXBXIPMHC-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[N@H+](C)Cc1cc(F)ccc1F)C(=O)CC[NH+](C)C ZINC001484757642 1191511457 /nfs/dbraw/zinc/51/14/57/1191511457.db2.gz QEYQOXPYMGYOAR-UHFFFAOYSA-N 2 0 327.419 2.197 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CCF)(c2ccccc2)CC1 ZINC001484946252 1191589159 /nfs/dbraw/zinc/58/91/59/1191589159.db2.gz PQCYMXJWJQEZSY-UHFFFAOYSA-N 2 0 349.494 2.446 10 0 EEAERP CCOC1CC(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484997529 1191607450 /nfs/dbraw/zinc/60/74/50/1191607450.db2.gz CVQVLEOOARQYGV-IBRUTMJSSA-N 2 0 339.524 2.016 10 0 EEAERP O=C(NC1CC(C[NH2+]CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001485093219 1191653309 /nfs/dbraw/zinc/65/33/09/1191653309.db2.gz BHRSRCPUTNJUJD-UHFFFAOYSA-N 2 0 339.499 2.487 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001485213224 1191695512 /nfs/dbraw/zinc/69/55/12/1191695512.db2.gz CLFZOPYHKQICPL-QWHCGFSZSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230545 1191699370 /nfs/dbraw/zinc/69/93/70/1191699370.db2.gz VRYRAHMZHLJXFZ-ZIAGYGMSSA-N 2 0 338.521 2.310 10 0 EEAERP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CCC([NH2+]CCCF)CC1 ZINC001485238818 1191705219 /nfs/dbraw/zinc/70/52/19/1191705219.db2.gz PGKJZLDIDZGXHB-JCYILVPMSA-N 2 0 325.472 2.047 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001485241410 1191706335 /nfs/dbraw/zinc/70/63/35/1191706335.db2.gz FRHSJZJNZATZMA-SHFWBCRUSA-N 2 0 327.900 2.440 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)cc1C ZINC001485389057 1191775326 /nfs/dbraw/zinc/77/53/26/1191775326.db2.gz RCTFCLAZJDBFIK-INIZCTEOSA-N 2 0 335.492 2.280 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485428471 1191787890 /nfs/dbraw/zinc/78/78/90/1191787890.db2.gz JTPMEPJGYFDOPZ-OALUTQOASA-N 2 0 346.519 2.447 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC001485476962 1191804795 /nfs/dbraw/zinc/80/47/95/1191804795.db2.gz PAOBFCMBCPZNOE-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486418085 1193948277 /nfs/dbraw/zinc/94/82/77/1193948277.db2.gz SBTKOPKIBDTRFI-CVEARBPZSA-N 2 0 327.513 2.018 10 0 EEAERP C[C@H](CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCOC2)CC1)n1ccnc1 ZINC001486516189 1194022239 /nfs/dbraw/zinc/02/22/39/1194022239.db2.gz BTOMUMPHXCMNGI-SJLPKXTDSA-N 2 0 346.475 2.009 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001409974947 1195980695 /nfs/dbraw/zinc/98/06/95/1195980695.db2.gz MYIPLFTXGIGREL-CABCVRRESA-N 2 0 333.451 2.419 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001273203175 1197508229 /nfs/dbraw/zinc/50/82/29/1197508229.db2.gz HQFJWXCKHHBLES-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](Cc3ccccn3)C[C@]2(C)C1 ZINC001410179597 1197589081 /nfs/dbraw/zinc/58/90/81/1197589081.db2.gz LDPICLADCSGGPJ-BGYRXZFFSA-N 2 0 344.503 2.094 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001410256583 1197641469 /nfs/dbraw/zinc/64/14/69/1197641469.db2.gz OTBSUFYZDCRAKX-MRXNPFEDSA-N 2 0 348.491 2.232 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001410324581 1197708053 /nfs/dbraw/zinc/70/80/53/1197708053.db2.gz JDQDAJIZKRVNQI-QZTJIDSGSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001410422483 1197851975 /nfs/dbraw/zinc/85/19/75/1197851975.db2.gz ISLRLCNLGUOKII-YPMHNXCESA-N 2 0 344.912 2.217 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001411221946 1198932384 /nfs/dbraw/zinc/93/23/84/1198932384.db2.gz JIELJVFOKUYHOY-KRWDZBQOSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001415234645 1198958863 /nfs/dbraw/zinc/95/88/63/1198958863.db2.gz UHSQRGVJRJCESJ-OAHLLOKOSA-N 2 0 325.472 2.143 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875692761 1199348208 /nfs/dbraw/zinc/34/82/08/1199348208.db2.gz OHIASKCNSGXKPO-YLFCFFPRSA-N 2 0 338.540 2.192 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[C@@H]2C=CCC2)C[C@H]1C[NH+](C)C ZINC000876337857 1199591491 /nfs/dbraw/zinc/59/14/91/1199591491.db2.gz UYIVZPGZTMGLSZ-KZNAEPCWSA-N 2 0 336.524 2.114 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2coc3cc(F)ccc23)C[C@H]1C[NH+](C)C ZINC000870018949 1200410804 /nfs/dbraw/zinc/41/08/04/1200410804.db2.gz JMVWLONIQXRWOV-ZIAGYGMSSA-N 2 0 347.434 2.383 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(Cl)s2)C[C@H]1C[NH+](C)C ZINC000870019421 1200410845 /nfs/dbraw/zinc/41/08/45/1200410845.db2.gz XYPPJPQYONBEAM-CHWSQXEVSA-N 2 0 343.924 2.142 10 0 EEAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000866702253 1201583455 /nfs/dbraw/zinc/58/34/55/1201583455.db2.gz ZBSWFCNGWWKXJA-WDSOQIARSA-N 2 0 325.456 2.216 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000882393108 1201865242 /nfs/dbraw/zinc/86/52/42/1201865242.db2.gz WLTBOKIORHCXMX-RBUKOAKNSA-N 2 0 342.487 2.394 10 0 EEAERP C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@@H]4C3)cc2)CC[N@@H+]1C ZINC000882394940 1201865875 /nfs/dbraw/zinc/86/58/75/1201865875.db2.gz LOKUNFUADKCYOV-ATZDWAIDSA-N 2 0 342.487 2.250 10 0 EEAERP CN1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000868757802 1201872627 /nfs/dbraw/zinc/87/26/27/1201872627.db2.gz DPQWDNUGEWXPMN-WBVHZDCISA-N 2 0 330.476 2.345 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368592 1205012096 /nfs/dbraw/zinc/01/20/96/1205012096.db2.gz MXALEWXFNZCMNI-OBMMGQTPSA-N 2 0 333.451 2.491 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001274506402 1205060501 /nfs/dbraw/zinc/06/05/01/1205060501.db2.gz AGVMGVQTGZAWSC-WRFKIARRSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/CN[C@@H](C)c1nc2ccccc2o1 ZINC001274610703 1205096947 /nfs/dbraw/zinc/09/69/47/1205096947.db2.gz PVKNURBFWIKQRD-KIUWMYQTSA-N 2 0 344.459 2.491 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001276007256 1205631516 /nfs/dbraw/zinc/63/15/16/1205631516.db2.gz NQJGAIYDMXDCTQ-GOSISDBHSA-N 2 0 333.451 2.106 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001276007067 1205631969 /nfs/dbraw/zinc/63/19/69/1205631969.db2.gz KTOIUUXLYGDWRW-LJQANCHMSA-N 2 0 347.478 2.436 10 0 EEAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000924920402 1206051305 /nfs/dbraw/zinc/05/13/05/1206051305.db2.gz NQTWHFZLZIEFAQ-OALUTQOASA-N 2 0 347.503 2.129 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000925337747 1206099680 /nfs/dbraw/zinc/09/96/80/1206099680.db2.gz RGBPTPWRPLGJKS-FUHWJXTLSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343660 1206100258 /nfs/dbraw/zinc/10/02/58/1206100258.db2.gz WPLKNFJUXIIWEQ-ZIFCJYIRSA-N 2 0 344.503 2.243 10 0 EEAERP C(Cc1nnc2n1CCCCC2)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925534258 1206124431 /nfs/dbraw/zinc/12/44/31/1206124431.db2.gz UFSYCSWCIXHICJ-IAGOWNOFSA-N 2 0 331.508 2.305 10 0 EEAERP CC1(C)[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925593970 1206133601 /nfs/dbraw/zinc/13/36/01/1206133601.db2.gz BEVMRTFSWBDUHP-IXDOHACOSA-N 2 0 333.451 2.312 10 0 EEAERP COc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2=O)cc1 ZINC000925602703 1206134267 /nfs/dbraw/zinc/13/42/67/1206134267.db2.gz WLNFIZKRCORNNE-RYRKJORJSA-N 2 0 345.487 2.292 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925671748 1206142353 /nfs/dbraw/zinc/14/23/53/1206142353.db2.gz FNJCXUNTUMDBGZ-RDBSUJKOSA-N 2 0 341.297 2.402 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925803465 1206155251 /nfs/dbraw/zinc/15/52/51/1206155251.db2.gz OXUUVHFMSNATKY-SUMDDJOVSA-N 2 0 343.475 2.253 10 0 EEAERP COc1cc(OC)c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1Cl ZINC000925811093 1206156455 /nfs/dbraw/zinc/15/64/55/1206156455.db2.gz QRYUQCPPIDVGJT-GFCCVEGCSA-N 2 0 341.883 2.431 10 0 EEAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(NS(C)(=O)=O)c1 ZINC000925842847 1206159169 /nfs/dbraw/zinc/15/91/69/1206159169.db2.gz KBOVUCFKUAGWSV-IAOVAPTHSA-N 2 0 337.489 2.241 10 0 EEAERP c1c[nH]c([C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccccc2)n1 ZINC000925847997 1206160050 /nfs/dbraw/zinc/16/00/50/1206160050.db2.gz XUAHOUIPASYIOP-SFHVURJKSA-N 2 0 327.476 2.164 10 0 EEAERP CSCC1CCC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925849832 1206160441 /nfs/dbraw/zinc/16/04/41/1206160441.db2.gz QPHWQKVAFKKEQZ-NRXISQOPSA-N 2 0 326.506 2.183 10 0 EEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929754146 1206498215 /nfs/dbraw/zinc/49/82/15/1206498215.db2.gz KCVNLZSSQLQNHH-YRPNKDGESA-N 2 0 330.472 2.244 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)C3(O)CCC3)C2)s1 ZINC000930373618 1206553272 /nfs/dbraw/zinc/55/32/72/1206553272.db2.gz MOCIXCMMVGILBX-NVXWUHKLSA-N 2 0 338.517 2.086 10 0 EEAERP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602678 1206569924 /nfs/dbraw/zinc/56/99/24/1206569924.db2.gz WUMHYEYQXBBHEC-RYUDHWBXSA-N 2 0 330.341 2.353 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)c2)CC1 ZINC000930892149 1206590320 /nfs/dbraw/zinc/59/03/20/1206590320.db2.gz FLTGZYJHEIZJFX-CRAIPNDOSA-N 2 0 345.491 2.043 10 0 EEAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000900350894 1234253226 /nfs/dbraw/zinc/25/32/26/1234253226.db2.gz RQVDEIPEQVPMEF-HXUWFJFHSA-N 2 0 345.487 2.110 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC000900414032 1234331522 /nfs/dbraw/zinc/33/15/22/1234331522.db2.gz DEMHDKQCQHKBRR-UHFFFAOYSA-N 2 0 329.488 2.453 10 0 EEAERP CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900994330 1235087514 /nfs/dbraw/zinc/08/75/14/1235087514.db2.gz PPPYQXIVZMXJSA-QGZVFWFLSA-N 2 0 346.475 2.377 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901128484 1235257971 /nfs/dbraw/zinc/25/79/71/1235257971.db2.gz XQGUOCCYWGKDIZ-PKOBYXMFSA-N 2 0 345.487 2.299 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CC(C)C)C2CCOCC2)CC1 ZINC000902747209 1238384796 /nfs/dbraw/zinc/38/47/96/1238384796.db2.gz RNODOTSZJUHJOH-PKOBYXMFSA-N 2 0 325.541 2.443 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000903149719 1239875413 /nfs/dbraw/zinc/87/54/13/1239875413.db2.gz IGLKZFOUIIZZKM-LMNGEROHSA-N 2 0 328.522 2.052 10 0 EEAERP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)c1)OCCO2 ZINC000903725778 1241732525 /nfs/dbraw/zinc/73/25/25/1241732525.db2.gz HGCIRUXWJTVWRK-OXFYSEKESA-N 2 0 344.455 2.363 10 0 EEAERP Fc1ccc(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000903919168 1242487862 /nfs/dbraw/zinc/48/78/62/1242487862.db2.gz AQQOUZISCZQNAL-AWEZNQCLSA-N 2 0 337.830 2.327 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927493 1242528497 /nfs/dbraw/zinc/52/84/97/1242528497.db2.gz SGBOGBQIRDTCHA-APWZRJJASA-N 2 0 344.503 2.195 10 0 EEAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956403 1242711426 /nfs/dbraw/zinc/71/14/26/1242711426.db2.gz KYZWSINHRKPEHC-CHWSQXEVSA-N 2 0 341.402 2.247 10 0 EEAERP C[N@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCOCC1CC1)C1CCC1 ZINC001490968806 1258517692 /nfs/dbraw/zinc/51/76/92/1258517692.db2.gz CULPRSBLDRECFB-JLYLLQBASA-N 2 0 349.519 2.009 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@@H]21 ZINC001490985043 1258543421 /nfs/dbraw/zinc/54/34/21/1258543421.db2.gz WBTJWBJIHIONDQ-RTWZZBQXSA-N 2 0 327.900 2.394 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001491027755 1258584785 /nfs/dbraw/zinc/58/47/85/1258584785.db2.gz ARNDCGNAZJKBEM-IYBDPMFKSA-N 2 0 325.472 2.239 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001491159402 1258736258 /nfs/dbraw/zinc/73/62/58/1258736258.db2.gz YVXHLPTUXRBLEP-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCCCCF)CC2)C1 ZINC001491370920 1259011842 /nfs/dbraw/zinc/01/18/42/1259011842.db2.gz HEZGMICJUMXDNH-GTPINHCMSA-N 2 0 327.488 2.485 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266598561 1276577095 /nfs/dbraw/zinc/57/70/95/1276577095.db2.gz UOIKPIOEIOWRLW-ZHALLVOQSA-N 2 0 349.519 2.057 10 0 EEAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273644656 1282112437 /nfs/dbraw/zinc/11/24/37/1282112437.db2.gz BQJGWRPZCSGRCW-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CCCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)O2 ZINC001273669993 1282852421 /nfs/dbraw/zinc/85/24/21/1282852421.db2.gz ZFTCAYCBOJOOGL-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CCN(CC[NH2+]Cc1scnc1C)C(=O)CC[NH+]1CCCCC1 ZINC001273765733 1285155338 /nfs/dbraw/zinc/15/53/38/1285155338.db2.gz RDTBATULVAXKNB-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001489203028 1290446596 /nfs/dbraw/zinc/44/65/96/1290446596.db2.gz QYHULYQOYLKJFS-LSLCWXNRSA-N 2 0 333.520 2.465 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001490308852 1291180127 /nfs/dbraw/zinc/18/01/27/1291180127.db2.gz GGVNNRIKNAIWRV-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001490420321 1291331621 /nfs/dbraw/zinc/33/16/21/1291331621.db2.gz WPWLPNOUIDCNLS-SFHVURJKSA-N 2 0 339.524 2.209 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000851785552 1291831795 /nfs/dbraw/zinc/83/17/95/1291831795.db2.gz QLVCEJQZAJOZOH-JKSUJKDBSA-N 2 0 348.424 2.379 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CCOCC3)C2)ccn1 ZINC000856552935 1293564294 /nfs/dbraw/zinc/56/42/94/1293564294.db2.gz ISHOBBGHUCLAFZ-IBGZPJMESA-N 2 0 333.476 2.413 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585193 1293571832 /nfs/dbraw/zinc/57/18/32/1293571832.db2.gz ANUDQDYEYNWLHW-AZUAARDMSA-N 2 0 346.519 2.471 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(F)c3C)cn2)CC1 ZINC000862273989 1295778832 /nfs/dbraw/zinc/77/88/32/1295778832.db2.gz UXJRNJVKHPHDCY-UHFFFAOYSA-N 2 0 343.450 2.356 10 0 EEAERP [NH3+]C1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCOCC1 ZINC000863542753 1296327193 /nfs/dbraw/zinc/32/71/93/1296327193.db2.gz YVPKUQRTTDETII-MRXNPFEDSA-N 2 0 347.459 2.137 10 0 EEAERP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001276779994 1297624778 /nfs/dbraw/zinc/62/47/78/1297624778.db2.gz UVPHCIIJMWWULZ-RDTXWAMCSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001491162980 1299642814 /nfs/dbraw/zinc/64/28/14/1299642814.db2.gz CPQCIKWTSUQPOO-LYASGUKUSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncs1 ZINC001277187925 1301728510 /nfs/dbraw/zinc/72/85/10/1301728510.db2.gz YWXYTDFVONIFGT-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP C[C@@H](CCC[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277219208 1301884981 /nfs/dbraw/zinc/88/49/81/1301884981.db2.gz XNZZFKMYEGQAJF-BOSPYUDASA-N 2 0 327.900 2.489 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277280435 1302160056 /nfs/dbraw/zinc/16/00/56/1302160056.db2.gz QASZHLDQPPKYRI-KKUMJFAQSA-N 2 0 338.521 2.248 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001277684196 1304180267 /nfs/dbraw/zinc/18/02/67/1304180267.db2.gz DWTWPIUYNYYIHZ-IAGOWNOFSA-N 2 0 335.517 2.211 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCC2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001278314906 1309346092 /nfs/dbraw/zinc/34/60/92/1309346092.db2.gz GVCNHWPOOGYMRM-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001278421733 1310193944 /nfs/dbraw/zinc/19/39/44/1310193944.db2.gz YEDYVGUXMNHIGB-XYJFISCASA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001276404466 1315433878 /nfs/dbraw/zinc/43/38/78/1315433878.db2.gz JTTBUZSUPHXHPS-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC(=O)C1CC1 ZINC000841090518 1315473205 /nfs/dbraw/zinc/47/32/05/1315473205.db2.gz JCKABCOTKORMTD-BFUOFWGJSA-N 2 0 332.444 2.427 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001278703115 1317796779 /nfs/dbraw/zinc/79/67/79/1317796779.db2.gz DXQDSZUARIMSDO-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C[NH2+]CCC2CC2)[C@H](C(F)(F)F)C1 ZINC001278704575 1317803369 /nfs/dbraw/zinc/80/33/69/1317803369.db2.gz SHGVPFXPIVMZTH-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1C[C@H]1CC(C)(C)CO1)C(=O)CCCC[NH+](C)C ZINC001263817018 1322524480 /nfs/dbraw/zinc/52/44/80/1322524480.db2.gz MZOVSJQQKHDKDL-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCCCOC)[C@@H]2CC)CC[NH+]1C ZINC001264053313 1322600879 /nfs/dbraw/zinc/60/08/79/1322600879.db2.gz REFABMVHGQHZSE-WNRNVDISSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCCC(F)(F)F ZINC001264134697 1322638269 /nfs/dbraw/zinc/63/82/69/1322638269.db2.gz VZRQMAZMSDTSPE-HZSPNIEDSA-N 2 0 335.414 2.392 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001264565696 1322733712 /nfs/dbraw/zinc/73/37/12/1322733712.db2.gz PYXIXOJYGOYPSN-AYBDBBNPSA-N 2 0 339.911 2.442 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264681392 1322781520 /nfs/dbraw/zinc/78/15/20/1322781520.db2.gz ASERMEWWKBHCDS-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCOC)C1 ZINC001264685589 1322783613 /nfs/dbraw/zinc/78/36/13/1322783613.db2.gz LYBWBABCHMLPEK-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1noc(C)c1C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001264986162 1322835255 /nfs/dbraw/zinc/83/52/55/1322835255.db2.gz AXQVBTWGOJHCMR-KRWDZBQOSA-N 2 0 336.480 2.102 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCc1ccccc1F ZINC001265001423 1322848262 /nfs/dbraw/zinc/84/82/62/1322848262.db2.gz WKLQSVPGKLCDFS-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1)C1CCC1 ZINC001265288373 1323040040 /nfs/dbraw/zinc/04/00/40/1323040040.db2.gz SSXPFWSOISOFHU-CHWSQXEVSA-N 2 0 348.318 2.245 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001265818098 1323398176 /nfs/dbraw/zinc/39/81/76/1323398176.db2.gz DIURXLILSICWBH-KRWDZBQOSA-N 2 0 347.503 2.118 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2conc2C)C1 ZINC001265908077 1323475093 /nfs/dbraw/zinc/47/50/93/1323475093.db2.gz LDKJATRPNAELQL-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001265973871 1323533067 /nfs/dbraw/zinc/53/30/67/1323533067.db2.gz CIUKSYDHBRHVGG-QZTJIDSGSA-N 2 0 347.503 2.154 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001280241006 1324126300 /nfs/dbraw/zinc/12/63/00/1324126300.db2.gz KBSODSKPNUZEMO-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001280367574 1324179630 /nfs/dbraw/zinc/17/96/30/1324179630.db2.gz KMPMQPDDJKXOBW-BRWVUGGUSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC001276656662 1324984955 /nfs/dbraw/zinc/98/49/55/1324984955.db2.gz QZTCGSKWJVFDKY-FXAWDEMLSA-N 2 0 343.515 2.364 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CCc3ccccc3)C2)CCC1 ZINC001282014834 1325570576 /nfs/dbraw/zinc/57/05/76/1325570576.db2.gz LKTLLITVUSNWKP-UHFFFAOYSA-N 2 0 329.488 2.198 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC[C@@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001282288436 1325678374 /nfs/dbraw/zinc/67/83/74/1325678374.db2.gz HJGCGZMLOYDXDL-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncn1C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001283248152 1325970302 /nfs/dbraw/zinc/97/03/02/1325970302.db2.gz LRKIBVPSIJFNAN-SJORKVTESA-N 2 0 349.523 2.059 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CCCOc2ccccc2)CC1 ZINC001283325099 1326010870 /nfs/dbraw/zinc/01/08/70/1326010870.db2.gz IGRQAJMZZJOKDF-UHFFFAOYSA-N 2 0 347.503 2.330 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CCc2ccccc2)CC1 ZINC001284976204 1326805504 /nfs/dbraw/zinc/80/55/04/1326805504.db2.gz CLIMBVKEKMPABH-UHFFFAOYSA-N 2 0 329.488 2.319 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCc1ccccc1Cl ZINC001491581085 1330172525 /nfs/dbraw/zinc/17/25/25/1330172525.db2.gz ZKNXHTZHOCQFTQ-CABCVRRESA-N 2 0 337.895 2.319 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001491885144 1330288882 /nfs/dbraw/zinc/28/88/82/1330288882.db2.gz GPQWFYHFWLXEPC-MOPGFXCFSA-N 2 0 347.503 2.068 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491894843 1330293422 /nfs/dbraw/zinc/29/34/22/1330293422.db2.gz CSOXVWMBNJAVRQ-MSOLQXFVSA-N 2 0 339.524 2.304 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001492024085 1330450203 /nfs/dbraw/zinc/45/02/03/1330450203.db2.gz KAAVYNBTKPGEJD-RDTXWAMCSA-N 2 0 348.491 2.409 10 0 EEAERP Cc1cc(C)cc(C[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001492257680 1331118960 /nfs/dbraw/zinc/11/89/60/1331118960.db2.gz SCFRNNWQGNKURV-IBGZPJMESA-N 2 0 329.488 2.193 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001316738173 1331867007 /nfs/dbraw/zinc/86/70/07/1331867007.db2.gz KFIYFDWIJXVLKZ-KSZLIROESA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2ccc(F)c(F)c2)CCC1 ZINC001316831466 1331921587 /nfs/dbraw/zinc/92/15/87/1331921587.db2.gz ZZXILQSZSITKAP-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316868829 1331940017 /nfs/dbraw/zinc/94/00/17/1331940017.db2.gz AMLSYABSHQMONJ-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@H+](CCC(F)(F)F)C2CC2)CCC1 ZINC001316918655 1331985379 /nfs/dbraw/zinc/98/53/79/1331985379.db2.gz ACEKSXLMLCAMPF-UHFFFAOYSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC001317027447 1332049172 /nfs/dbraw/zinc/04/91/72/1332049172.db2.gz QJVTZXYXJCGYAJ-RTBURBONSA-N 2 0 347.478 2.337 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001317149342 1332100719 /nfs/dbraw/zinc/10/07/19/1332100719.db2.gz IKVYFPUQKLOEEQ-OXUBUWLOSA-N 2 0 327.900 2.440 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)C2)CC1 ZINC001317304621 1332171860 /nfs/dbraw/zinc/17/18/60/1332171860.db2.gz BSAGCBKLEXGAKF-INIZCTEOSA-N 2 0 335.517 2.213 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317327104 1332180842 /nfs/dbraw/zinc/18/08/42/1332180842.db2.gz SHFBNBUNGUFRTL-QWHCGFSZSA-N 2 0 334.291 2.228 10 0 EEAERP CN(CC[NH2+]Cc1cncs1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317614654 1332328422 /nfs/dbraw/zinc/32/84/22/1332328422.db2.gz NVRASMWYUVLIGX-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP CCc1cccc(OCC[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001317622896 1332332807 /nfs/dbraw/zinc/33/28/07/1332332807.db2.gz FHHOTNNSQNPXPW-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317628217 1332336242 /nfs/dbraw/zinc/33/62/42/1332336242.db2.gz YMVYJVWNCAPUIA-UHFFFAOYSA-N 2 0 337.483 2.394 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001318831847 1332607052 /nfs/dbraw/zinc/60/70/52/1332607052.db2.gz YMVAVXCJFTXQCD-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001319404507 1332695667 /nfs/dbraw/zinc/69/56/67/1332695667.db2.gz FLSZYMLYUCDCNS-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001319522398 1332715596 /nfs/dbraw/zinc/71/55/96/1332715596.db2.gz DCDDKFGQJVULQA-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCc1ccsc1 ZINC001319697527 1332745073 /nfs/dbraw/zinc/74/50/73/1332745073.db2.gz ULRZSVLRVHIQEW-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001319714867 1332749256 /nfs/dbraw/zinc/74/92/56/1332749256.db2.gz PRODCJURZYACLB-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP COCc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001320524464 1332903240 /nfs/dbraw/zinc/90/32/40/1332903240.db2.gz ZERWILLIVQIQDH-APWZRJJASA-N 2 0 347.503 2.302 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320635881 1332926262 /nfs/dbraw/zinc/92/62/62/1332926262.db2.gz ZKNDLHBGSJYWCO-TZMCWYRMSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001321065138 1333009530 /nfs/dbraw/zinc/00/95/30/1333009530.db2.gz QUMRAXCSDAVEJJ-RNCBIJBGSA-N 2 0 327.472 2.276 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001321092134 1333017312 /nfs/dbraw/zinc/01/73/12/1333017312.db2.gz OJCMPBMBEJEMMZ-AATRIKPKSA-N 2 0 329.488 2.495 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321121647 1333024047 /nfs/dbraw/zinc/02/40/47/1333024047.db2.gz VMPUHXUEGRYOMR-MJRGOJFPSA-N 2 0 347.507 2.019 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001321282176 1333063648 /nfs/dbraw/zinc/06/36/48/1333063648.db2.gz VQTWCAHKFJHAAF-UEKDZROGSA-N 2 0 344.503 2.415 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001321418050 1333100073 /nfs/dbraw/zinc/10/00/73/1333100073.db2.gz XPKDESBZFZXJNA-ZOSBBBERSA-N 2 0 333.451 2.461 10 0 EEAERP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001322362182 1333254223 /nfs/dbraw/zinc/25/42/23/1333254223.db2.gz XNAAOZNJICMYCG-UONOGXRCSA-N 2 0 347.425 2.299 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001324812203 1333765148 /nfs/dbraw/zinc/76/51/48/1333765148.db2.gz DAZLPDMXLIWPHP-XJKSGUPXSA-N 2 0 348.318 2.475 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001326299743 1334062408 /nfs/dbraw/zinc/06/24/08/1334062408.db2.gz ASAQJZNDHDQEBE-SJLPKXTDSA-N 2 0 348.491 2.123 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001326404312 1334085772 /nfs/dbraw/zinc/08/57/72/1334085772.db2.gz QATPBRNQKQBIJH-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001326529309 1334110634 /nfs/dbraw/zinc/11/06/34/1334110634.db2.gz HEOPGZHZWWUEBN-QAQDUYKDSA-N 2 0 339.524 2.162 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001326566381 1334116466 /nfs/dbraw/zinc/11/64/66/1334116466.db2.gz KDRAXAGTYQNZNB-BRSBDYLESA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001327048594 1334211122 /nfs/dbraw/zinc/21/11/22/1334211122.db2.gz LMGKRXXENSZJQA-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001327881664 1334359014 /nfs/dbraw/zinc/35/90/14/1334359014.db2.gz ODJUPNVXXOTCIO-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccns1)NC(=O)CC1CC[NH+](C)CC1 ZINC001675986208 1357082493 /nfs/dbraw/zinc/08/24/93/1357082493.db2.gz OMCICJPBMUUOSB-AWEZNQCLSA-N 2 0 338.521 2.250 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)C12CCC[NH+](CCC1)C2 ZINC001330613180 1334877361 /nfs/dbraw/zinc/87/73/61/1334877361.db2.gz JXVNYBWOCRDUDB-HDJSIYSDSA-N 2 0 347.425 2.299 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001331145064 1334970813 /nfs/dbraw/zinc/97/08/13/1334970813.db2.gz OLIUAUHKVAMMTE-MJGOQNOKSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001332049916 1335714032 /nfs/dbraw/zinc/71/40/32/1335714032.db2.gz OAKLINYXHNECIE-YOEHRIQHSA-N 2 0 325.472 2.047 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332279667 1335789670 /nfs/dbraw/zinc/78/96/70/1335789670.db2.gz IMMZIRXBPVGWGQ-HOTGVXAUSA-N 2 0 344.459 2.167 10 0 EEAERP C[NH+]1CCN(C2CC[NH+](C[C@H]3CCCC34CCOCC4)CC2)CC1 ZINC001414025556 1339130616 /nfs/dbraw/zinc/13/06/16/1339130616.db2.gz LOCBMCPFRKOIQF-GOSISDBHSA-N 2 0 335.536 2.295 10 0 EEAERP C[NH+](C)CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001434355250 1341830977 /nfs/dbraw/zinc/83/09/77/1341830977.db2.gz LBGHMYZUQKZLJC-MJGOQNOKSA-N 2 0 344.503 2.094 10 0 EEAERP COc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001449404074 1342087520 /nfs/dbraw/zinc/08/75/20/1342087520.db2.gz NVTZUOUIIQVOBP-UHFFFAOYSA-N 2 0 333.476 2.114 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001506674576 1342310059 /nfs/dbraw/zinc/31/00/59/1342310059.db2.gz HTCQMHFUZUVPGV-INIZCTEOSA-N 2 0 341.499 2.208 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938215 1342482796 /nfs/dbraw/zinc/48/27/96/1342482796.db2.gz HANOGILGHPAGFJ-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[NH+]1CCN(CCCN2CC[N@H+](C3CCCC3)[C@@H](C)C2)CC1 ZINC001560145878 1342508508 /nfs/dbraw/zinc/50/85/08/1342508508.db2.gz VJCWWPIISDHISJ-IBGZPJMESA-N 2 0 336.568 2.351 10 0 EEAERP Cc1cccnc1C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001676001350 1357085401 /nfs/dbraw/zinc/08/54/01/1357085401.db2.gz IKKYFQBAMPAEGS-SJORKVTESA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](CNC(=O)Cc3c[nH]cn3)C2)cc1 ZINC001565852576 1342569759 /nfs/dbraw/zinc/56/97/59/1342569759.db2.gz PSNYPKJUSFCGBE-HDICACEKSA-N 2 0 340.471 2.378 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001567259802 1342724754 /nfs/dbraw/zinc/72/47/54/1342724754.db2.gz IZKSIAOBWPFOFY-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001567260685 1342725414 /nfs/dbraw/zinc/72/54/14/1342725414.db2.gz CNBSYTFMSXENKQ-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CCc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001676007205 1357086934 /nfs/dbraw/zinc/08/69/34/1357086934.db2.gz WONYLORXQKFBFI-AWEZNQCLSA-N 2 0 348.491 2.016 10 0 EEAERP Cc1ncccc1C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569652103 1342918376 /nfs/dbraw/zinc/91/83/76/1342918376.db2.gz YSJMKXLCQULXMN-IBGZPJMESA-N 2 0 332.492 2.203 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC001569878623 1342967544 /nfs/dbraw/zinc/96/75/44/1342967544.db2.gz FXXGZNVETFFPIV-OKILXGFUSA-N 2 0 335.414 2.061 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001570012907 1342999292 /nfs/dbraw/zinc/99/92/92/1342999292.db2.gz AFVXCKDRWQELCJ-AVWIDUKFSA-N 2 0 348.318 2.475 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001570448203 1343071941 /nfs/dbraw/zinc/07/19/41/1343071941.db2.gz AERBFLKQZOOCAM-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001571416425 1343207586 /nfs/dbraw/zinc/20/75/86/1343207586.db2.gz ITFPBNDSHUTSQU-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001676215928 1357122327 /nfs/dbraw/zinc/12/23/27/1357122327.db2.gz VJLZCEDGKVCUPW-MYORHYEWSA-N 2 0 327.900 2.296 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001676244120 1357126052 /nfs/dbraw/zinc/12/60/52/1357126052.db2.gz PGSAXCVYNVPUKQ-HBPPEQNBSA-N 2 0 327.900 2.296 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001676957900 1357248834 /nfs/dbraw/zinc/24/88/34/1357248834.db2.gz FBPGSEBGJUEZGA-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001677051938 1357270983 /nfs/dbraw/zinc/27/09/83/1357270983.db2.gz JDFDQUBUXZMTJQ-LSDHHAIUSA-N 2 0 347.425 2.275 10 0 EEAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001649448528 1353510780 /nfs/dbraw/zinc/51/07/80/1353510780.db2.gz GBBAUEOXQYTVRY-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001649456147 1353515196 /nfs/dbraw/zinc/51/51/96/1353515196.db2.gz HAQVFNFAKBKTGG-DKRLNXSXSA-N 2 0 337.508 2.034 10 0 EEAERP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC001650051569 1353701544 /nfs/dbraw/zinc/70/15/44/1353701544.db2.gz UYNMUPSRTVSOCA-SFHVURJKSA-N 2 0 326.525 2.486 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)[C@H]2C1 ZINC001650608219 1354020225 /nfs/dbraw/zinc/02/02/25/1354020225.db2.gz YKHCZLQULQAILO-FHWLQOOXSA-N 2 0 327.472 2.352 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001656139191 1354207300 /nfs/dbraw/zinc/20/73/00/1354207300.db2.gz BJISKPCOVHOEDV-SFNKJDCFSA-N 2 0 349.519 2.057 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1cncc(F)c1 ZINC001660190088 1354412827 /nfs/dbraw/zinc/41/28/27/1354412827.db2.gz HJCHJHAFCIEDHC-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(F)cc1F ZINC001660290665 1354431607 /nfs/dbraw/zinc/43/16/07/1354431607.db2.gz HPODTXFQJXAFFG-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001660345687 1354445141 /nfs/dbraw/zinc/44/51/41/1354445141.db2.gz KKOSFECZWXACSE-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](Cc2cnoc2C)C2CC2)CC[N@@H+]1C ZINC001660685345 1354516540 /nfs/dbraw/zinc/51/65/40/1354516540.db2.gz MIOZYWIXFJWZCP-ZWKOTPCHSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](Cc1ccccn1)C1CC1 ZINC001660753264 1354532555 /nfs/dbraw/zinc/53/25/55/1354532555.db2.gz QBKKFAHNIVYKOO-CALCHBBNSA-N 2 0 344.503 2.425 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCCCF)CC1 ZINC001660794273 1354539257 /nfs/dbraw/zinc/53/92/57/1354539257.db2.gz JBDRNCHADIIQDT-UHFFFAOYSA-N 2 0 325.472 2.145 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001661034185 1354577228 /nfs/dbraw/zinc/57/72/28/1354577228.db2.gz BAUDDAWOMFUDCO-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001661689823 1354672806 /nfs/dbraw/zinc/67/28/06/1354672806.db2.gz BCQHUJZZMJKPIB-HDICACEKSA-N 2 0 335.467 2.335 10 0 EEAERP COc1cccc(CCC[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001662262813 1354770741 /nfs/dbraw/zinc/77/07/41/1354770741.db2.gz MRLJNJMVEPSDLV-QFBILLFUSA-N 2 0 347.503 2.206 10 0 EEAERP c1cc(C[NH2+]Cc2ccccc2Cn2cncn2)n(-c2cc[nH+]cc2)n1 ZINC001662294690 1354776812 /nfs/dbraw/zinc/77/68/12/1354776812.db2.gz ZANPQRKVTYTQJB-UHFFFAOYSA-N 2 0 345.410 2.197 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001662564915 1354806862 /nfs/dbraw/zinc/80/68/62/1354806862.db2.gz WEGJIQFPYIZBSP-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001662930541 1354877273 /nfs/dbraw/zinc/87/72/73/1354877273.db2.gz ZMLOKZPMTXODJY-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@H]2CCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001663537043 1354982390 /nfs/dbraw/zinc/98/23/90/1354982390.db2.gz JGKGWSCUNRSDOF-GOSISDBHSA-N 2 0 349.519 2.178 10 0 EEAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001664043988 1355080057 /nfs/dbraw/zinc/08/00/57/1355080057.db2.gz JRRLDVBSGUQVQZ-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001665686664 1355361013 /nfs/dbraw/zinc/36/10/13/1355361013.db2.gz NNKNUZOSXVKXPB-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001666110310 1355453725 /nfs/dbraw/zinc/45/37/25/1355453725.db2.gz GOFUMHMTYFWDKH-UFFJTEQJSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCc1ccccc1F ZINC001666552987 1355543029 /nfs/dbraw/zinc/54/30/29/1355543029.db2.gz MLOSYJPBLURNOZ-ZMSDIMECSA-N 2 0 335.467 2.050 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCc1ccccc1F ZINC001666563446 1355545694 /nfs/dbraw/zinc/54/56/94/1355545694.db2.gz OBHBKTTXYZREAA-OAHLLOKOSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992239 1355628835 /nfs/dbraw/zinc/62/88/35/1355628835.db2.gz MFALVVLULNEOAY-KSSFIOAISA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CCCCCF ZINC001667189107 1355668986 /nfs/dbraw/zinc/66/89/86/1355668986.db2.gz JADPJPVDRUIZFJ-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001667584435 1355763631 /nfs/dbraw/zinc/76/36/31/1355763631.db2.gz AIKMOGNNFBMEID-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1 ZINC001668865402 1356027437 /nfs/dbraw/zinc/02/74/37/1356027437.db2.gz XEPDGXABJCSTBW-ARJAWSKDSA-N 2 0 333.451 2.380 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccns1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865005 1356028104 /nfs/dbraw/zinc/02/81/04/1356028104.db2.gz OHCMYBJKSXTSFB-IDOMTICXSA-N 2 0 348.516 2.312 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001669039944 1356074879 /nfs/dbraw/zinc/07/48/79/1356074879.db2.gz RNYLOHOQZZWZHQ-LAQIPUCWSA-N 2 0 345.487 2.107 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001669137578 1356104077 /nfs/dbraw/zinc/10/40/77/1356104077.db2.gz CXHZJQPEXFNDRT-WAYWQWQTSA-N 2 0 327.472 2.107 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670275750 1356310171 /nfs/dbraw/zinc/31/01/71/1356310171.db2.gz QDXMYHXOYXTOBE-WMZOPIPTSA-N 2 0 348.491 2.192 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001672372825 1356511054 /nfs/dbraw/zinc/51/10/54/1356511054.db2.gz KIOSCUDFISRBTE-BZSNNMDCSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CCCCCF)C[C@@H]3C2)CC1 ZINC001672438646 1356523358 /nfs/dbraw/zinc/52/33/58/1356523358.db2.gz JAMIOTVGWJVSPO-HDICACEKSA-N 2 0 339.499 2.248 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCCCCF)C1 ZINC001672537725 1356549353 /nfs/dbraw/zinc/54/93/53/1356549353.db2.gz KICIQRRXABYYMZ-ULQDDVLXSA-N 2 0 325.472 2.143 10 0 EEAERP CCC1([NH2+]CCOC2CCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001673588323 1356715639 /nfs/dbraw/zinc/71/56/39/1356715639.db2.gz ABXGLXKLXCGRLD-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001674019497 1356775482 /nfs/dbraw/zinc/77/54/82/1356775482.db2.gz YQCLNBJKNXDSRY-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001674457827 1356837885 /nfs/dbraw/zinc/83/78/85/1356837885.db2.gz NYTZNWSBIWCFIU-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674500008 1356848820 /nfs/dbraw/zinc/84/88/20/1356848820.db2.gz ULASZHUGDYJNAT-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCCC(F)(F)F ZINC001698621439 1405012735 /nfs/dbraw/zinc/01/27/35/1405012735.db2.gz XPOPIIFMTYXTEU-ZDUSSCGKSA-N 2 0 335.414 2.299 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001698889653 1405132083 /nfs/dbraw/zinc/13/20/83/1405132083.db2.gz BESDFYAUVZVKHV-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001698920418 1405162093 /nfs/dbraw/zinc/16/20/93/1405162093.db2.gz ALFPNWSNKUYBNA-MRXNPFEDSA-N 2 0 345.447 2.131 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699102480 1405255471 /nfs/dbraw/zinc/25/54/71/1405255471.db2.gz MGRRXGJQQSCCRY-YOEHRIQHSA-N 2 0 333.451 2.152 10 0 EEAERP O=C(NC/C=C\C[NH2+]C/C=C/Cl)C1CC[NH+](CC2CC2)CC1 ZINC001699328077 1405335692 /nfs/dbraw/zinc/33/56/92/1405335692.db2.gz DEUYSROKNPTIPZ-CKRIMZSVSA-N 2 0 325.884 2.123 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001699761801 1405471226 /nfs/dbraw/zinc/47/12/26/1405471226.db2.gz KEDOIEGHRHIUIT-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001699885436 1405551727 /nfs/dbraw/zinc/55/17/27/1405551727.db2.gz FJTJBKSIUWGQHD-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CN(C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000846674222 790367196 /nfs/dbraw/zinc/36/71/96/790367196.db2.gz VGWZUSMNJGEXHM-MSOLQXFVSA-N 2 0 331.460 2.120 10 0 EEAERP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000906091864 783694680 /nfs/dbraw/zinc/69/46/80/783694680.db2.gz ZLZXYZMKIGCWFJ-PMPSAXMXSA-N 2 0 325.403 2.200 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(C2CC2)CCC1 ZINC000906472469 783947035 /nfs/dbraw/zinc/94/70/35/783947035.db2.gz PWVBWSRKAYECSG-UHFFFAOYSA-N 2 0 342.487 2.290 10 0 EEAERP CC[N@H+](C)C[C@H](O)CN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705935612 784827285 /nfs/dbraw/zinc/82/72/85/784827285.db2.gz TVMUMIAYYMZXSW-PWRODBHTSA-N 2 0 345.531 2.143 10 0 EEAERP C[N@@H+]1CCN(C(=O)c2ccc(NCCn3ccnc3)cc2)CC1(C)C ZINC000907975041 785002099 /nfs/dbraw/zinc/00/20/99/785002099.db2.gz HYOPEUDAKZLVCQ-UHFFFAOYSA-N 2 0 341.459 2.161 10 0 EEAERP CON(C)C(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000819049293 785375929 /nfs/dbraw/zinc/37/59/29/785375929.db2.gz DYFVCRSHUMCYDJ-AYHJJNSGSA-N 2 0 331.460 2.182 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819062094 785408082 /nfs/dbraw/zinc/40/80/82/785408082.db2.gz NDRZIEPWPNSJIT-GOSISDBHSA-N 2 0 341.446 2.006 10 0 EEAERP O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC([NH+]2CCCC2)C1 ZINC000912323375 788115417 /nfs/dbraw/zinc/11/54/17/788115417.db2.gz ZBQDQRFNSHLQKA-LJQANCHMSA-N 2 0 341.499 2.248 10 0 EEAERP C[NH+](C)C1(C)CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000913390222 788822606 /nfs/dbraw/zinc/82/26/06/788822606.db2.gz MWIWMVYXMIQRHX-INIZCTEOSA-N 2 0 339.549 2.147 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921530185 789046288 /nfs/dbraw/zinc/04/62/88/789046288.db2.gz RAXBNTJOGJYVHA-MRXNPFEDSA-N 2 0 333.524 2.193 10 0 EEAERP OCCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCc2ccccc21 ZINC000923318451 789361605 /nfs/dbraw/zinc/36/16/05/789361605.db2.gz ZTRQERTUBMCNTD-MJGOQNOKSA-N 2 0 330.472 2.127 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923322297 789379728 /nfs/dbraw/zinc/37/97/28/789379728.db2.gz NHTBVPDFRWUMID-IBGZPJMESA-N 2 0 331.504 2.209 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1C ZINC000923447785 789560077 /nfs/dbraw/zinc/56/00/77/789560077.db2.gz WYZFJTPACLCHKW-MRXNPFEDSA-N 2 0 332.444 2.111 10 0 EEAERP OC1(C[NH2+]Cc2nccn2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000711821255 789628876 /nfs/dbraw/zinc/62/88/76/789628876.db2.gz QSTRCQDZHWNTEJ-UHFFFAOYSA-N 2 0 340.471 2.335 10 0 EEAERP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923502474 789666581 /nfs/dbraw/zinc/66/65/81/789666581.db2.gz ZPGMNIJNVKLLCE-VQIMIIECSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496773 789669635 /nfs/dbraw/zinc/66/96/35/789669635.db2.gz DIZPXSPYJONYJG-BZUAXINKSA-N 2 0 342.487 2.132 10 0 EEAERP CC[C@](O)(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000929418885 792063865 /nfs/dbraw/zinc/06/38/65/792063865.db2.gz OMEROLOCZFXKCL-HNNXBMFYSA-N 2 0 338.414 2.124 10 0 EEAERP OCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000716647154 796404414 /nfs/dbraw/zinc/40/44/14/796404414.db2.gz ABUVUMWVUXADFN-ZCNNSNEGSA-N 2 0 344.499 2.418 10 0 EEAERP O[C@@]1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716672153 796405796 /nfs/dbraw/zinc/40/57/96/796405796.db2.gz IJGLQHKIBRXMRD-YRPNKDGESA-N 2 0 330.472 2.171 10 0 EEAERP Cc1oc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)c2)nc1C[NH3+] ZINC000827469528 800480157 /nfs/dbraw/zinc/48/01/57/800480157.db2.gz QLNONHWEYGTNJH-CQSZACIVSA-N 2 0 328.416 2.389 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922731208 801781237 /nfs/dbraw/zinc/78/12/37/801781237.db2.gz XNHLHSIJXLTZBX-RLLQIKCJSA-N 2 0 346.471 2.055 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001566070647 1125543504 /nfs/dbraw/zinc/54/35/04/1125543504.db2.gz BURMHQHHSJZWOT-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001566139174 1125586901 /nfs/dbraw/zinc/58/69/01/1125586901.db2.gz QDKORGRCQCSQAI-RBUKOAKNSA-N 2 0 347.503 2.331 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)o1 ZINC001436420345 1087780480 /nfs/dbraw/zinc/78/04/80/1087780480.db2.gz BDWXUJOAKAMOCN-XOKHGSTOSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436473477 1087937712 /nfs/dbraw/zinc/93/77/12/1087937712.db2.gz DNDGSJOQMOHRCI-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001436479259 1087957816 /nfs/dbraw/zinc/95/78/16/1087957816.db2.gz RSZBPRWOWFWRDV-BJYXUANLSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)n1 ZINC001436482040 1087967988 /nfs/dbraw/zinc/96/79/88/1087967988.db2.gz SOWSYEFJMBENDB-AEFFLSMTSA-N 2 0 332.492 2.119 10 0 EEAERP C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001436662426 1088091275 /nfs/dbraw/zinc/09/12/75/1088091275.db2.gz DAQRBHZVZRGOIT-PKOBYXMFSA-N 2 0 340.471 2.485 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC001436695082 1088156090 /nfs/dbraw/zinc/15/60/90/1088156090.db2.gz OPNWRWBJEVXMTM-KRWDZBQOSA-N 2 0 335.467 2.289 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001437006490 1088776530 /nfs/dbraw/zinc/77/65/30/1088776530.db2.gz TUMJDUSTMASLQX-IBGZPJMESA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001437306570 1089463054 /nfs/dbraw/zinc/46/30/54/1089463054.db2.gz FNPLJEWOTWLVSZ-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP COCc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001437344046 1089548185 /nfs/dbraw/zinc/54/81/85/1089548185.db2.gz DAWXEFXPEZAWKM-LJQANCHMSA-N 2 0 347.503 2.208 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001437417172 1089698244 /nfs/dbraw/zinc/69/82/44/1089698244.db2.gz IAUOCWKAPVITOW-RDTXWAMCSA-N 2 0 345.462 2.393 10 0 EEAERP C[C@H](C(=O)NCC[N@H+](C)CC[C@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001437527660 1089958708 /nfs/dbraw/zinc/95/87/08/1089958708.db2.gz VVBSETRQUIASQQ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001437556597 1090022532 /nfs/dbraw/zinc/02/25/32/1090022532.db2.gz OAWYCYXYNBRSHG-MAUKXSAKSA-N 2 0 335.492 2.390 10 0 EEAERP Cc1ccc(C[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001437817907 1090411300 /nfs/dbraw/zinc/41/13/00/1090411300.db2.gz URNJUHHAPRGTTL-GOSISDBHSA-N 2 0 329.488 2.417 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCCF)C1 ZINC001437945889 1090540901 /nfs/dbraw/zinc/54/09/01/1090540901.db2.gz MFXNNDIKIZFZFK-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438134506 1090658528 /nfs/dbraw/zinc/65/85/28/1090658528.db2.gz ONHFZEBDUFUNHI-OAHLLOKOSA-N 2 0 329.488 2.236 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001438614800 1091104214 /nfs/dbraw/zinc/10/42/14/1091104214.db2.gz ZDOGTEQCDMCGMT-GJZGRUSLSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1)[NH+](C)C ZINC001445395944 1091141420 /nfs/dbraw/zinc/14/14/20/1091141420.db2.gz QJBSNZGEQAYLFL-XHBSWPGZSA-N 2 0 327.419 2.460 10 0 EEAERP C[C@@H](C[NH2+]CC1CCOCC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001438695485 1091199252 /nfs/dbraw/zinc/19/92/52/1091199252.db2.gz QXVLZFMDXZJQOR-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001445502590 1091280476 /nfs/dbraw/zinc/28/04/76/1091280476.db2.gz MTDWJZVZKJMETB-IAGOWNOFSA-N 2 0 331.504 2.226 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]Cc1cncs1 ZINC001438771703 1091356520 /nfs/dbraw/zinc/35/65/20/1091356520.db2.gz KPDIOVBAPGTUKN-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001438845297 1091481999 /nfs/dbraw/zinc/48/19/99/1091481999.db2.gz GHTXUGCTOUKYCQ-MOPGFXCFSA-N 2 0 346.519 2.432 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691273 1091491167 /nfs/dbraw/zinc/49/11/67/1091491167.db2.gz UIOOSYXEVQCDHK-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccn1)c1ccccc1 ZINC001439165432 1091810585 /nfs/dbraw/zinc/81/05/85/1091810585.db2.gz DSEFYHPFVKTTBS-APWZRJJASA-N 2 0 340.471 2.369 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001445893968 1091821820 /nfs/dbraw/zinc/82/18/20/1091821820.db2.gz IJFKTUOKEHOIKL-RBUKOAKNSA-N 2 0 346.519 2.415 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)c1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439251315 1091900829 /nfs/dbraw/zinc/90/08/29/1091900829.db2.gz FAWKTOOHPBCZBC-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001439517318 1092363550 /nfs/dbraw/zinc/36/35/50/1092363550.db2.gz RWALEWKMWTZWSP-ZBFHGGJFSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001446246345 1092365352 /nfs/dbraw/zinc/36/53/52/1092365352.db2.gz AECOAQZSIQQUJP-RDTXWAMCSA-N 2 0 345.462 2.393 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1cc(F)ccc1F ZINC001439671140 1092611247 /nfs/dbraw/zinc/61/12/47/1092611247.db2.gz GMXADEZURINZKW-CYBMUJFWSA-N 2 0 337.414 2.360 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001439817159 1092795839 /nfs/dbraw/zinc/79/58/39/1092795839.db2.gz NWFUWKIZNAXOSV-ROUUACIJSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001439855434 1092877698 /nfs/dbraw/zinc/87/76/98/1092877698.db2.gz TZFHAKVWSBLBOT-HNAYVOBHSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C/C=C/Cl)CC1 ZINC001440195180 1093263871 /nfs/dbraw/zinc/26/38/71/1093263871.db2.gz QFYXQBSSXNSPMR-RDCWBDQOSA-N 2 0 325.884 2.146 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC001440197767 1093266629 /nfs/dbraw/zinc/26/66/29/1093266629.db2.gz YBDGHMKSOFRKKX-LSDHHAIUSA-N 2 0 329.435 2.049 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001440401817 1093588659 /nfs/dbraw/zinc/58/86/59/1093588659.db2.gz XUCTXQONAHUKNX-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP CN(Cc1ncc(Cl)s1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001448550161 1093592409 /nfs/dbraw/zinc/59/24/09/1093592409.db2.gz ZGCIOQKTXOTYMF-UHFFFAOYSA-N 2 0 344.912 2.171 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCCF)CC[N@@H+]1C ZINC001440517594 1093766778 /nfs/dbraw/zinc/76/67/78/1093766778.db2.gz QNIBTNPPOIGKSP-ULQDDVLXSA-N 2 0 327.488 2.389 10 0 EEAERP CCC1([NH2+]Cc2cc(C)no2)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001440517667 1093766900 /nfs/dbraw/zinc/76/69/00/1093766900.db2.gz RIJHKFGTGJEEMB-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001448732568 1093804400 /nfs/dbraw/zinc/80/44/00/1093804400.db2.gz YAPDSYNLSXRERQ-VXGBXAGGSA-N 2 0 344.912 2.075 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]C/C=C\Cl ZINC001440605485 1093870380 /nfs/dbraw/zinc/87/03/80/1093870380.db2.gz JYPFZBAFUWISHI-JBLNNTITSA-N 2 0 325.884 2.051 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(F)(F)C1 ZINC001440745561 1093993531 /nfs/dbraw/zinc/99/35/31/1093993531.db2.gz HHXGZQWWURHGCY-OAHLLOKOSA-N 2 0 331.451 2.295 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001440758812 1094000429 /nfs/dbraw/zinc/00/04/29/1094000429.db2.gz PQIXCQHIZAFMPF-BCLQGDPASA-N 2 0 343.462 2.391 10 0 EEAERP COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001449051997 1094067245 /nfs/dbraw/zinc/06/72/45/1094067245.db2.gz XMWBIDQNPFZXGH-RDJZCZTQSA-N 2 0 339.524 2.255 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2conc2C)C(C)(C)C1 ZINC001449094019 1094105035 /nfs/dbraw/zinc/10/50/35/1094105035.db2.gz VSESNWMZSIAALR-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001449260364 1094209456 /nfs/dbraw/zinc/20/94/56/1094209456.db2.gz KLSHVOPLDUSICW-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001441016167 1094296810 /nfs/dbraw/zinc/29/68/10/1094296810.db2.gz QHNJKKQKEHIEOK-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001441128142 1094454088 /nfs/dbraw/zinc/45/40/88/1094454088.db2.gz JTEZOAIOQJNGDM-GJZGRUSLSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCC(F)(F)F)C1 ZINC001441170681 1094523015 /nfs/dbraw/zinc/52/30/15/1094523015.db2.gz VJVHNKCDMXSOGD-GFCCVEGCSA-N 2 0 335.414 2.250 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C[C@@H](F)CC)C[C@]2(C)C1 ZINC001441336682 1094817226 /nfs/dbraw/zinc/81/72/26/1094817226.db2.gz MFMDEKBOOSPINK-RYQLBKOJSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)[NH+](C)C ZINC001441400931 1094971371 /nfs/dbraw/zinc/97/13/71/1094971371.db2.gz TVAVTQRZKPRGTK-KBUPBQIOSA-N 2 0 331.451 2.389 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1)[NH+](C)C ZINC001441506462 1095193187 /nfs/dbraw/zinc/19/31/87/1095193187.db2.gz HPGHJRIOKVYXHJ-GGNLRSJOSA-N 2 0 333.451 2.390 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001441537966 1095253274 /nfs/dbraw/zinc/25/32/74/1095253274.db2.gz MLJJDQLJCAIMBV-LBPRGKRZSA-N 2 0 338.521 2.181 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001441580657 1095383050 /nfs/dbraw/zinc/38/30/50/1095383050.db2.gz FUIHZFMNAVRJTA-CYBMUJFWSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)oc1C ZINC001441896884 1096045444 /nfs/dbraw/zinc/04/54/44/1096045444.db2.gz JCYFOEWVQWXKBG-HOTGVXAUSA-N 2 0 336.480 2.006 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)C(C)(C)C1 ZINC001441925095 1096109826 /nfs/dbraw/zinc/10/98/26/1096109826.db2.gz BGMFWOQTTGIUCQ-GOSISDBHSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)sn1 ZINC001441989736 1096192754 /nfs/dbraw/zinc/19/27/54/1096192754.db2.gz FHAJYTCXRXDYOL-AWEZNQCLSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001442044310 1096254159 /nfs/dbraw/zinc/25/41/59/1096254159.db2.gz GLPWDZIPVGXNPY-CHWSQXEVSA-N 2 0 325.403 2.216 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001442203807 1096487749 /nfs/dbraw/zinc/48/77/49/1096487749.db2.gz KUGKPYXPFBGNLR-CVEARBPZSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001442316400 1096634397 /nfs/dbraw/zinc/63/43/97/1096634397.db2.gz DIYGRSIVWYQEEZ-NVXWUHKLSA-N 2 0 345.487 2.043 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001442468105 1096796652 /nfs/dbraw/zinc/79/66/52/1096796652.db2.gz YXLBSDAFFPTUTN-MRXNPFEDSA-N 2 0 345.487 2.433 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)Cc1cc(F)cc(F)c1 ZINC001442602007 1096972275 /nfs/dbraw/zinc/97/22/75/1096972275.db2.gz JKSDWSKIFWKVKM-OKILXGFUSA-N 2 0 339.430 2.386 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001442900927 1097304065 /nfs/dbraw/zinc/30/40/65/1097304065.db2.gz JGPKSWMFOJOEHD-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H](CCNC(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC001443262034 1097741201 /nfs/dbraw/zinc/74/12/01/1097741201.db2.gz DNNVMYMLGAVKAZ-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001443270158 1097751662 /nfs/dbraw/zinc/75/16/62/1097751662.db2.gz LZPCBVCWSPGNQZ-AEFFLSMTSA-N 2 0 347.478 2.148 10 0 EEAERP COCc1cccc(CN2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001443480373 1097977224 /nfs/dbraw/zinc/97/72/24/1097977224.db2.gz KSZZTTSHQMSVHT-LJQANCHMSA-N 2 0 345.487 2.008 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001444044012 1098566980 /nfs/dbraw/zinc/56/69/80/1098566980.db2.gz RGTHDAOQHFUXDR-KRWDZBQOSA-N 2 0 333.476 2.084 10 0 EEAERP COCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001479505323 1098572600 /nfs/dbraw/zinc/57/26/00/1098572600.db2.gz YWWDULTVWGXKSR-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H](C)F)CC2)CC[N@@H+]1C ZINC001444174823 1098727392 /nfs/dbraw/zinc/72/73/92/1098727392.db2.gz LNVRQMWMYREQLJ-OVYGPGRDSA-N 2 0 327.488 2.482 10 0 EEAERP CO[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001444209194 1098767998 /nfs/dbraw/zinc/76/79/98/1098767998.db2.gz LEUZGOFXAUKMJS-FCEWJHQRSA-N 2 0 347.503 2.158 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001444310792 1098868204 /nfs/dbraw/zinc/86/82/04/1098868204.db2.gz PQXGDVPGYYYGHP-BFYDXBDKSA-N 2 0 335.467 2.316 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC001479778166 1098959618 /nfs/dbraw/zinc/95/96/18/1098959618.db2.gz OLPVMACGTVFYPI-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)on1 ZINC001479808765 1099059756 /nfs/dbraw/zinc/05/97/56/1099059756.db2.gz OBPIIWKYFXNUMM-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001444591284 1099416545 /nfs/dbraw/zinc/41/65/45/1099416545.db2.gz CIBQSNZWXJMTEN-DZGCQCFKSA-N 2 0 331.451 2.341 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444760055 1099646499 /nfs/dbraw/zinc/64/64/99/1099646499.db2.gz NLLWYYYPJXQISC-MJGOQNOKSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480263617 1099947492 /nfs/dbraw/zinc/94/74/92/1099947492.db2.gz QIQUYDNXBZRCNM-FUHWJXTLSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1F ZINC001444904070 1099965795 /nfs/dbraw/zinc/96/57/95/1099965795.db2.gz BFJHJGHLLSHJIU-YJBOKZPZSA-N 2 0 335.467 2.398 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001480471441 1100277299 /nfs/dbraw/zinc/27/72/99/1100277299.db2.gz GDJCWAOLECQQNR-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001480471443 1100278476 /nfs/dbraw/zinc/27/84/76/1100278476.db2.gz GDJCWAOLECQQNR-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)o1 ZINC001445108802 1100346636 /nfs/dbraw/zinc/34/66/36/1100346636.db2.gz KDSALDFXRXSPCL-GJZGRUSLSA-N 2 0 336.480 2.124 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)s1 ZINC001480538313 1100368972 /nfs/dbraw/zinc/36/89/72/1100368972.db2.gz XDUJJEWPASOEDP-LBPRGKRZSA-N 2 0 326.510 2.024 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496271958 1100849709 /nfs/dbraw/zinc/84/97/09/1100849709.db2.gz MOJVBSFEESDWJK-KBAYOESNSA-N 2 0 332.492 2.042 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1cncc(F)c1)C1CCCC1 ZINC001446512820 1100965121 /nfs/dbraw/zinc/96/51/21/1100965121.db2.gz UMVHMBDIMUVVIH-GOSISDBHSA-N 2 0 348.466 2.081 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496416111 1101010213 /nfs/dbraw/zinc/01/02/13/1101010213.db2.gz JDYWNUFCZUOLJY-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@H](C)c1ncccn1 ZINC001496428463 1101019857 /nfs/dbraw/zinc/01/98/57/1101019857.db2.gz OTRMCBBZDPLHEB-IAGOWNOFSA-N 2 0 347.507 2.239 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)sn1 ZINC001496484469 1101076446 /nfs/dbraw/zinc/07/64/46/1101076446.db2.gz XAWNCMBRVCVDRF-BBRMVZONSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(CF)cc1 ZINC001496533005 1101132440 /nfs/dbraw/zinc/13/24/40/1101132440.db2.gz DLWINVICELZLNT-ROUUACIJSA-N 2 0 335.467 2.481 10 0 EEAERP COCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001495429277 1101147284 /nfs/dbraw/zinc/14/72/84/1101147284.db2.gz TXVKMZBOMPIAQV-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](C/C=C/Cl)C2)CC[N@@H+]1C ZINC001446686338 1101244043 /nfs/dbraw/zinc/24/40/43/1101244043.db2.gz ROPFBTQVVCATJN-XDIASTCQSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1cnc(CN2CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001495539938 1101255955 /nfs/dbraw/zinc/25/59/55/1101255955.db2.gz HXZQTVNDWFHTGP-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001495816267 1101636454 /nfs/dbraw/zinc/63/64/54/1101636454.db2.gz SPVIWJARGCQQRK-CQSZACIVSA-N 2 0 336.480 2.009 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cncs2)CCC1 ZINC001496890868 1101675583 /nfs/dbraw/zinc/67/55/83/1101675583.db2.gz XGJLPZPFIPUMHH-UKRRQHHQSA-N 2 0 336.505 2.002 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001446982663 1101699179 /nfs/dbraw/zinc/69/91/79/1101699179.db2.gz QKCGZCILNWDGGI-HRCADAONSA-N 2 0 343.462 2.154 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cncc(F)c3)CCCC2)C1 ZINC001495954129 1101825603 /nfs/dbraw/zinc/82/56/03/1101825603.db2.gz YDVLRLYBZMKPRL-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001496110683 1102081582 /nfs/dbraw/zinc/08/15/82/1102081582.db2.gz LDLNVCNDSAPUPP-HNNXBMFYSA-N 2 0 329.448 2.364 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496156459 1102148647 /nfs/dbraw/zinc/14/86/47/1102148647.db2.gz YRLUIIYGZPAOKF-IRXDYDNUSA-N 2 0 343.515 2.454 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001497314352 1102301475 /nfs/dbraw/zinc/30/14/75/1102301475.db2.gz VJCYGQWZAHZKME-PXNSSMCTSA-N 2 0 329.488 2.465 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ncc(Cl)s1 ZINC001497330378 1102335118 /nfs/dbraw/zinc/33/51/18/1102335118.db2.gz HONGCDNTKKAEDS-LLVKDONJSA-N 2 0 332.901 2.121 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CCC2)o1 ZINC001447271037 1102353273 /nfs/dbraw/zinc/35/32/73/1102353273.db2.gz XKFRGAAMVQINBA-CVEARBPZSA-N 2 0 348.491 2.232 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001497580796 1102694716 /nfs/dbraw/zinc/69/47/16/1102694716.db2.gz XVMQYJASIYSTGW-PXPVJAHISA-N 2 0 345.487 2.330 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)c1C ZINC001497731054 1102980855 /nfs/dbraw/zinc/98/08/55/1102980855.db2.gz MBKHITWMRHGFDR-VGOKWCNXSA-N 2 0 345.487 2.107 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC001447666550 1103075957 /nfs/dbraw/zinc/07/59/57/1103075957.db2.gz NQUOXVLORWSJSG-XEZPLFJOSA-N 2 0 336.480 2.006 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC001497825409 1103153175 /nfs/dbraw/zinc/15/31/75/1103153175.db2.gz NLQXYSSDZIQJLU-DYVFJYSZSA-N 2 0 334.464 2.021 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001494078120 1103484823 /nfs/dbraw/zinc/48/48/23/1103484823.db2.gz FRHQLMOWQGLBDI-NVXWUHKLSA-N 2 0 333.451 2.106 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001494083027 1103493744 /nfs/dbraw/zinc/49/37/44/1103493744.db2.gz LICPYNYROJKQRD-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)n1 ZINC001447904691 1103561502 /nfs/dbraw/zinc/56/15/02/1103561502.db2.gz IIPKJJJWNQGQDF-IRXDYDNUSA-N 2 0 346.519 2.413 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)c1C ZINC001447934921 1103637645 /nfs/dbraw/zinc/63/76/45/1103637645.db2.gz KJBJHRLKCOXVHS-JKSUJKDBSA-N 2 0 333.476 2.082 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c1C ZINC001447934919 1103637703 /nfs/dbraw/zinc/63/77/03/1103637703.db2.gz KJBJHRLKCOXVHS-HOTGVXAUSA-N 2 0 333.476 2.082 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001447937256 1103644122 /nfs/dbraw/zinc/64/41/22/1103644122.db2.gz NAMNRPGLTOTFNM-QWHCGFSZSA-N 2 0 325.403 2.043 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccns1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001447975132 1103716281 /nfs/dbraw/zinc/71/62/81/1103716281.db2.gz BWLVFLFEHAYZOH-AWEZNQCLSA-N 2 0 338.521 2.059 10 0 EEAERP Cc1cncc(C[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001447976789 1103720981 /nfs/dbraw/zinc/72/09/81/1103720981.db2.gz FSUUJICISVQEPB-KRWDZBQOSA-N 2 0 346.519 2.306 10 0 EEAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001494567882 1104156126 /nfs/dbraw/zinc/15/61/26/1104156126.db2.gz ICLDHHHJYNANCF-AWEZNQCLSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001448221047 1104203810 /nfs/dbraw/zinc/20/38/10/1104203810.db2.gz OAJWQBPZIZYBLL-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495012138 1104655016 /nfs/dbraw/zinc/65/50/16/1104655016.db2.gz CGQXGZAQCDYKSS-OAHLLOKOSA-N 2 0 348.491 2.158 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cnc(C)nc1 ZINC001495068461 1104707420 /nfs/dbraw/zinc/70/74/20/1104707420.db2.gz DSOBGNFAAWENKD-QZTJIDSGSA-N 2 0 347.507 2.032 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(OC)c2)C1)[NH+](C)C ZINC001480622983 1106784386 /nfs/dbraw/zinc/78/43/86/1106784386.db2.gz DGPZLZYACZPLOE-HKUYNNGSSA-N 2 0 347.503 2.159 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001498044929 1106831030 /nfs/dbraw/zinc/83/10/30/1106831030.db2.gz CGRITJREPUPZCU-FRQCXROJSA-N 2 0 347.503 2.062 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001480704032 1106919097 /nfs/dbraw/zinc/91/90/97/1106919097.db2.gz BRKVDNTUPISAAK-ZWKOTPCHSA-N 2 0 347.507 2.042 10 0 EEAERP COc1ccc(C(C)C)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190659 1107053266 /nfs/dbraw/zinc/05/32/66/1107053266.db2.gz QKWSZKCOHMTRQC-DOTOQJQBSA-N 2 0 347.503 2.365 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC001480825140 1107199414 /nfs/dbraw/zinc/19/94/14/1107199414.db2.gz ZGEDQZWXQWFNBW-NZSAHSFTSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001498284267 1107213962 /nfs/dbraw/zinc/21/39/62/1107213962.db2.gz UJTGMYQLRVSRKF-YJBOKZPZSA-N 2 0 347.478 2.412 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001498505297 1107649018 /nfs/dbraw/zinc/64/90/18/1107649018.db2.gz RHEAPWYNTKGSPN-KGLIPLIRSA-N 2 0 335.414 2.299 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)Cc1cncn1C ZINC001498641795 1107873316 /nfs/dbraw/zinc/87/33/16/1107873316.db2.gz PTPBRAGWXZSFOM-SFHVURJKSA-N 2 0 344.434 2.227 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC001498820200 1108164285 /nfs/dbraw/zinc/16/42/85/1108164285.db2.gz ZHVFZPLDWWBSQH-GOSISDBHSA-N 2 0 340.471 2.171 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC001498897594 1108293846 /nfs/dbraw/zinc/29/38/46/1108293846.db2.gz HCWZEJMGAJCXCZ-MJGOQNOKSA-N 2 0 347.503 2.234 10 0 EEAERP CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001493848431 1108732418 /nfs/dbraw/zinc/73/24/18/1108732418.db2.gz FCQJDGYQEUKCRN-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001493851707 1108737113 /nfs/dbraw/zinc/73/71/13/1108737113.db2.gz XLSLOLBEYAWQDY-KRWDZBQOSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001493858713 1108747495 /nfs/dbraw/zinc/74/74/95/1108747495.db2.gz JAGAHYBBDILZEZ-HZPDHXFCSA-N 2 0 336.480 2.040 10 0 EEAERP Brc1c[nH]c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001474296476 1110592521 /nfs/dbraw/zinc/59/25/21/1110592521.db2.gz CJXTXOQOJFSIAS-UHFFFAOYSA-N 2 0 336.237 2.326 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC(F)(F)CC1)C(=O)CC[NH+](C)C ZINC001479243024 1110666401 /nfs/dbraw/zinc/66/64/01/1110666401.db2.gz LRWVRTOLZLELBU-HNNXBMFYSA-N 2 0 331.451 2.296 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001479399614 1110691263 /nfs/dbraw/zinc/69/12/63/1110691263.db2.gz NRXKKAVKDVFEEG-MISYRCLQSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2([NH2+]C/C=C\Cl)CC2)C1 ZINC001499352704 1112246379 /nfs/dbraw/zinc/24/63/79/1112246379.db2.gz SFAFWEXCSAIXLX-FAOGRTBUSA-N 2 0 331.863 2.190 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001499447899 1112291623 /nfs/dbraw/zinc/29/16/23/1112291623.db2.gz AMQNPMVXNNQTTJ-WMLDXEAASA-N 2 0 331.435 2.003 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001499461629 1112297488 /nfs/dbraw/zinc/29/74/88/1112297488.db2.gz MRTUWMIKOUFTTG-HOTGVXAUSA-N 2 0 330.476 2.001 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001499538560 1112352445 /nfs/dbraw/zinc/35/24/45/1112352445.db2.gz FPBNAGUJMZLNLB-IBGZPJMESA-N 2 0 347.503 2.249 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001501071075 1113188005 /nfs/dbraw/zinc/18/80/05/1113188005.db2.gz KLIICKPUWLXTGB-IAGOWNOFSA-N 2 0 341.540 2.216 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cnc(C)s2)C1 ZINC001501083205 1113192740 /nfs/dbraw/zinc/19/27/40/1113192740.db2.gz FPUUDNHGBOGEBZ-HIFRSBDPSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001501146224 1113214972 /nfs/dbraw/zinc/21/49/72/1113214972.db2.gz KRRCYPKTBWSOGY-KGLIPLIRSA-N 2 0 337.430 2.355 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001501156123 1113218043 /nfs/dbraw/zinc/21/80/43/1113218043.db2.gz LBEVTELBEMYMNZ-DLBZAZTESA-N 2 0 348.491 2.125 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001501652013 1113415978 /nfs/dbraw/zinc/41/59/78/1113415978.db2.gz VLKHPTJJFDOMEE-IAOKNECISA-N 2 0 336.307 2.474 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001502000282 1113553398 /nfs/dbraw/zinc/55/33/98/1113553398.db2.gz YUQYFCPWSLJPOF-UHFFFAOYSA-N 2 0 336.480 2.089 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001502086568 1113582535 /nfs/dbraw/zinc/58/25/35/1113582535.db2.gz FHBHGTRWHALJEX-OALUTQOASA-N 2 0 349.519 2.036 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](Cc3cncc(F)c3)CC2)CC1 ZINC001502134765 1113609426 /nfs/dbraw/zinc/60/94/26/1113609426.db2.gz BBNFLEMWKKMLOC-KRWDZBQOSA-N 2 0 348.466 2.033 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1cnc(C)o1 ZINC001502400907 1113666595 /nfs/dbraw/zinc/66/65/95/1113666595.db2.gz DBJWOANHKDALMZ-QGZVFWFLSA-N 2 0 336.480 2.138 10 0 EEAERP CO[C@@H](C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1)C1CCC1 ZINC001502811442 1113808437 /nfs/dbraw/zinc/80/84/37/1113808437.db2.gz UUIPMXQBRNRRCW-KRWDZBQOSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001505411471 1113945632 /nfs/dbraw/zinc/94/56/32/1113945632.db2.gz HMEBFQJHUXKSFH-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505679363 1114126802 /nfs/dbraw/zinc/12/68/02/1114126802.db2.gz UPXKBSNLSFOANV-GJZGRUSLSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccc1N(C)C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505680807 1114128282 /nfs/dbraw/zinc/12/82/82/1114128282.db2.gz FRKDYRQYJRFTNJ-CVEARBPZSA-N 2 0 346.519 2.077 10 0 EEAERP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001505848798 1114231820 /nfs/dbraw/zinc/23/18/20/1114231820.db2.gz XJRNXWLKUAVRJM-GOSISDBHSA-N 2 0 346.519 2.224 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCc1ccccc1Cl ZINC001506056435 1114381296 /nfs/dbraw/zinc/38/12/96/1114381296.db2.gz HAIRBUOETRNXED-GDBMZVCRSA-N 2 0 337.895 2.271 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC001506516370 1114666207 /nfs/dbraw/zinc/66/62/07/1114666207.db2.gz IEAMBTXJUCCJBA-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001506523606 1114672915 /nfs/dbraw/zinc/67/29/15/1114672915.db2.gz XRELHTMWAXNMMI-UHFFFAOYSA-N 2 0 332.492 2.332 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001506855298 1114919450 /nfs/dbraw/zinc/91/94/50/1114919450.db2.gz IDQOINSXLDQSRN-YESZJQIVSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001506901648 1114960400 /nfs/dbraw/zinc/96/04/00/1114960400.db2.gz GRFNLWZPDBSBIV-JFIYKMOQSA-N 2 0 347.478 2.194 10 0 EEAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001507291184 1115176466 /nfs/dbraw/zinc/17/64/66/1115176466.db2.gz YGXZWZBFMVETLY-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cncc(F)c2)[C@H]1C ZINC001507292510 1115177413 /nfs/dbraw/zinc/17/74/13/1115177413.db2.gz KMXBOAUTUHJQLD-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001507362820 1115222656 /nfs/dbraw/zinc/22/26/56/1115222656.db2.gz SDYDYLCIINQWSG-BBWFWOEESA-N 2 0 337.483 2.191 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001507441906 1115271233 /nfs/dbraw/zinc/27/12/33/1115271233.db2.gz FCDBRVSFHXCYBF-GOSISDBHSA-N 2 0 347.503 2.234 10 0 EEAERP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]C/C=C\Cl ZINC001507453522 1115278823 /nfs/dbraw/zinc/27/88/23/1115278823.db2.gz JRNOLHGJONIQIB-LYASGUKUSA-N 2 0 327.900 2.442 10 0 EEAERP COCC[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001507839085 1115356270 /nfs/dbraw/zinc/35/62/70/1115356270.db2.gz AXYWBVBJKHZOES-KRWDZBQOSA-N 2 0 327.513 2.066 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001508002430 1115388004 /nfs/dbraw/zinc/38/80/04/1115388004.db2.gz AOOGDNNSJBSHPK-ULQDDVLXSA-N 2 0 341.540 2.262 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC1CCOCC1)C(C)(C)C)[NH+](C)C ZINC001508020984 1115390048 /nfs/dbraw/zinc/39/00/48/1115390048.db2.gz FIDQAXVEALVVFQ-IRXDYDNUSA-N 2 0 341.540 2.264 10 0 EEAERP CC(C)(C(=O)NCC1=CC[N@H+](CCCF)CC1)[NH+]1CCCCC1 ZINC001508206011 1115444202 /nfs/dbraw/zinc/44/42/02/1115444202.db2.gz XUOMJNMHJLYLCO-UHFFFAOYSA-N 2 0 325.472 2.359 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914880 1124175896 /nfs/dbraw/zinc/17/58/96/1124175896.db2.gz HEIHTEGYKHKKLX-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001568060466 1124265210 /nfs/dbraw/zinc/26/52/10/1124265210.db2.gz MRQRJXABMMNJDZ-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001568096562 1124299871 /nfs/dbraw/zinc/29/98/71/1124299871.db2.gz BCJICMYIVLEXOC-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001568544952 1124604341 /nfs/dbraw/zinc/60/43/41/1124604341.db2.gz JYPVBWQPBJUJAG-HKUYNNGSSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)o1 ZINC001568688084 1124699166 /nfs/dbraw/zinc/69/91/66/1124699166.db2.gz ODQMGNLWHBLXQD-ZDUSSCGKSA-N 2 0 336.480 2.008 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001568791420 1124803649 /nfs/dbraw/zinc/80/36/49/1124803649.db2.gz IUEDBUBFFXNSNA-INIZCTEOSA-N 2 0 327.419 2.243 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F ZINC001568826520 1124843829 /nfs/dbraw/zinc/84/38/29/1124843829.db2.gz CWZMTQWAUFAYLZ-OKYAQOQYSA-N 2 0 329.435 2.168 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1F ZINC001568859381 1124883842 /nfs/dbraw/zinc/88/38/42/1124883842.db2.gz ZTBKRWJUCSNFME-OOFWQKGWSA-N 2 0 333.451 2.462 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1)[NH+]1CCCC1 ZINC001568897342 1124925535 /nfs/dbraw/zinc/92/55/35/1124925535.db2.gz DJQWPIZDCIPJLP-ONEGZZNKSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569030174 1125052584 /nfs/dbraw/zinc/05/25/84/1125052584.db2.gz GPTMYWIHOSDGFS-QGZVFWFLSA-N 2 0 329.488 2.118 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001569087972 1125089955 /nfs/dbraw/zinc/08/99/55/1125089955.db2.gz IBUOHPPGLFIXIY-KRWDZBQOSA-N 2 0 347.503 2.064 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001569168076 1125141209 /nfs/dbraw/zinc/14/12/09/1125141209.db2.gz GOTZLSWFKSZUFA-MSOLQXFVSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccccn1 ZINC001569218230 1125173321 /nfs/dbraw/zinc/17/33/21/1125173321.db2.gz NTRKNIYUNZUTFB-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247049 1125192784 /nfs/dbraw/zinc/19/27/84/1125192784.db2.gz AEFZGCDFWPJHSU-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001565916298 1125456012 /nfs/dbraw/zinc/45/60/12/1125456012.db2.gz FIZUPWNKEACBCO-SCTDSRPQSA-N 2 0 339.499 2.487 10 0 EEAERP C[NH2+][C@H](CCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000053937657 214205958 /nfs/dbraw/zinc/20/59/58/214205958.db2.gz UJAWUZZRADLONW-OAHLLOKOSA-N 2 0 326.282 2.347 10 0 EEAERP CC(C)CNC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271309 539991724 /nfs/dbraw/zinc/99/17/24/539991724.db2.gz BYCOEEAWIGIXTL-WCQYABFASA-N 2 0 325.482 2.090 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000366856775 283125060 /nfs/dbraw/zinc/12/50/60/283125060.db2.gz TYFZOUFBNWHUEC-ROUUACIJSA-N 2 0 348.466 2.212 10 0 EEAERP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000425345883 241135812 /nfs/dbraw/zinc/13/58/12/241135812.db2.gz KEKOWLPTUDBZPY-KZNAEPCWSA-N 2 0 347.528 2.368 10 0 EEAERP COCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264246242 246237221 /nfs/dbraw/zinc/23/72/21/246237221.db2.gz MLYRQFGDJVWJHD-UHFFFAOYSA-N 2 0 345.487 2.077 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000266638336 248392911 /nfs/dbraw/zinc/39/29/11/248392911.db2.gz BGZWHMGVWRDBCX-NEWSRXKRSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000268630835 252085248 /nfs/dbraw/zinc/08/52/48/252085248.db2.gz DWCPPRWKBYZQFU-UHFFFAOYSA-N 2 0 331.229 2.135 10 0 EEAERP C[NH2+]C(C)(C)CNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000270531656 256144986 /nfs/dbraw/zinc/14/49/86/256144986.db2.gz UYMZKMWRIKNGPN-LBPRGKRZSA-N 2 0 339.509 2.495 10 0 EEAERP C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000125565361 143744671 /nfs/dbraw/zinc/74/46/71/143744671.db2.gz WNGBGUMLISSPLD-LPHOPBHVSA-N 2 0 336.476 2.067 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000190955032 152231467 /nfs/dbraw/zinc/23/14/67/152231467.db2.gz GJLDOUWEDPUTKS-UHFFFAOYSA-N 2 0 334.508 2.376 10 0 EEAERP O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000354155954 153141034 /nfs/dbraw/zinc/14/10/34/153141034.db2.gz SRNXVEFGEONHIV-VTHDOGFWSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354164079 153147053 /nfs/dbraw/zinc/14/70/53/153147053.db2.gz OVCVPWXWADXNHE-BPIHKTFHSA-N 2 0 325.460 2.452 10 0 EEAERP CC(C)[C@@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000193639693 160184506 /nfs/dbraw/zinc/18/45/06/160184506.db2.gz ORSCVRRINCWESJ-CEXWTWQISA-N 2 0 329.488 2.036 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000245628613 160245392 /nfs/dbraw/zinc/24/53/92/160245392.db2.gz HERHPYHOMMNWQP-AYOQOUSVSA-N 2 0 342.487 2.215 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000245645918 160246269 /nfs/dbraw/zinc/24/62/69/160246269.db2.gz LNYCYUWIUOKVBL-MOPGFXCFSA-N 2 0 344.503 2.463 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1C ZINC000246169934 160265744 /nfs/dbraw/zinc/26/57/44/160265744.db2.gz LEHCHTLWYVOIAR-BHIYHBOVSA-N 2 0 346.519 2.283 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000247513084 160327135 /nfs/dbraw/zinc/32/71/35/160327135.db2.gz QATPNIDRFZSAOH-FUHWJXTLSA-N 2 0 332.492 2.290 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[NH+](C3CC3)C[C@@H]1C)CC2 ZINC000342336171 161057121 /nfs/dbraw/zinc/05/71/21/161057121.db2.gz IHOKEUWQVCCOQZ-XOYOTBSWSA-N 2 0 334.508 2.126 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccnc1 ZINC000345196984 161280828 /nfs/dbraw/zinc/28/08/28/161280828.db2.gz AZISDTDHFLVYPO-FUHWJXTLSA-N 2 0 332.492 2.060 10 0 EEAERP CN1CC[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082180 162061281 /nfs/dbraw/zinc/06/12/81/162061281.db2.gz IGGQTJGNWLXJTI-FGTMMUONSA-N 2 0 337.895 2.130 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434456 164309673 /nfs/dbraw/zinc/30/96/73/164309673.db2.gz XVQNFXQASPTXPF-KBPBESRZSA-N 2 0 325.478 2.051 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000376688481 167376161 /nfs/dbraw/zinc/37/61/61/167376161.db2.gz PBMVDNIREGWVKB-UHFFFAOYSA-N 2 0 336.524 2.234 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291477306 275309200 /nfs/dbraw/zinc/30/92/00/275309200.db2.gz KBJJOHWFDFOIRE-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000422753491 276273998 /nfs/dbraw/zinc/27/39/98/276273998.db2.gz IKJCUFGMETYWQO-YJBOKZPZSA-N 2 0 330.472 2.455 10 0 EEAERP CCC[C@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)[NH+](C)C ZINC000161563996 276282514 /nfs/dbraw/zinc/28/25/14/276282514.db2.gz VDTQEISWHXJWMF-LJQANCHMSA-N 2 0 346.519 2.493 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000339241761 276811333 /nfs/dbraw/zinc/81/13/33/276811333.db2.gz YFOPBLIWXAXWCP-OAHLLOKOSA-N 2 0 332.473 2.237 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281188533 292739937 /nfs/dbraw/zinc/73/99/37/292739937.db2.gz JEYAIFODRZDCCU-SFHVURJKSA-N 2 0 335.467 2.439 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000298005056 294394440 /nfs/dbraw/zinc/39/44/40/294394440.db2.gz QACPYEXJFQCELY-MRXNPFEDSA-N 2 0 329.448 2.111 10 0 EEAERP CC[NH+](CC)CCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340469941 312258362 /nfs/dbraw/zinc/25/83/62/312258362.db2.gz XMGBBHRDIJUFNI-ZDUSSCGKSA-N 2 0 344.297 2.321 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764112 313080740 /nfs/dbraw/zinc/08/07/40/313080740.db2.gz NYBMLRZPSDSTEV-KBPBESRZSA-N 2 0 347.425 2.238 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000418055361 313701365 /nfs/dbraw/zinc/70/13/65/313701365.db2.gz INYZRTCOCOKDHH-HXUWFJFHSA-N 2 0 344.503 2.076 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000418697005 313883246 /nfs/dbraw/zinc/88/32/46/313883246.db2.gz BHVDXNZPMAUERR-HUUCEWRRSA-N 2 0 333.480 2.065 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C(=O)NCC[NH+](C)C ZINC000437778923 315051724 /nfs/dbraw/zinc/05/17/24/315051724.db2.gz BGGQGEKDWKHSKM-YJBOKZPZSA-N 2 0 337.483 2.439 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445258131 315354107 /nfs/dbraw/zinc/35/41/07/315354107.db2.gz ACWTWWRYOCTCLU-INIZCTEOSA-N 2 0 326.529 2.384 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000527955776 317292830 /nfs/dbraw/zinc/29/28/30/317292830.db2.gz RZJFPHYVYMFVGY-AHRSYUTCSA-N 2 0 332.488 2.212 10 0 EEAERP COc1ccc(OC)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247599 317704354 /nfs/dbraw/zinc/70/43/54/317704354.db2.gz BAIKCTBZHNUBQV-SFHVURJKSA-N 2 0 334.460 2.294 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000535760702 317980403 /nfs/dbraw/zinc/98/04/03/317980403.db2.gz OMRRBMUTYYRBML-LJQANCHMSA-N 2 0 347.503 2.146 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000541380969 318097673 /nfs/dbraw/zinc/09/76/73/318097673.db2.gz PEKRMVPTECLTAJ-SJLPKXTDSA-N 2 0 328.416 2.003 10 0 EEAERP CN(CCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1cc[nH+]cc1 ZINC000541854260 318111836 /nfs/dbraw/zinc/11/18/36/318111836.db2.gz KBNYMAZHGQHWKR-UHFFFAOYSA-N 2 0 344.434 2.295 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000564667739 319099928 /nfs/dbraw/zinc/09/99/28/319099928.db2.gz WTQIANKHNUJJOY-APWZRJJASA-N 2 0 329.488 2.281 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000565544708 319192523 /nfs/dbraw/zinc/19/25/23/319192523.db2.gz RKWAMWYHKZXNEK-YESZJQIVSA-N 2 0 339.524 2.018 10 0 EEAERP COc1ncccc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088806 319242810 /nfs/dbraw/zinc/24/28/10/319242810.db2.gz PYEYABPJMUFPEO-PXNSSMCTSA-N 2 0 339.439 2.478 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000566209179 319260123 /nfs/dbraw/zinc/26/01/23/319260123.db2.gz QJULMMVIYQEJJR-FGTMMUONSA-N 2 0 333.451 2.343 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000566672684 319310742 /nfs/dbraw/zinc/31/07/42/319310742.db2.gz BXJDCGRJDCXBRU-CWRNSKLLSA-N 2 0 329.423 2.116 10 0 EEAERP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)C[NH2+]C ZINC000576351071 320164426 /nfs/dbraw/zinc/16/44/26/320164426.db2.gz QHKCABGCSVQICB-FRQCXROJSA-N 2 0 346.519 2.304 10 0 EEAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000580640843 324102640 /nfs/dbraw/zinc/10/26/40/324102640.db2.gz DUNICEAWEBSCDL-IBGZPJMESA-N 2 0 328.456 2.320 10 0 EEAERP CC[NH+]1CCN(c2ccc(CNc3nc(C)ncc3C)cn2)CC1 ZINC000517586770 448597554 /nfs/dbraw/zinc/59/75/54/448597554.db2.gz UQDBOBREBDZVBA-UHFFFAOYSA-N 2 0 326.448 2.242 10 0 EEAERP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127374633 462545914 /nfs/dbraw/zinc/54/59/14/462545914.db2.gz FJDVMHLLAZMMSR-UHFFFAOYSA-N 2 0 344.272 2.315 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341542868 465225001 /nfs/dbraw/zinc/22/50/01/465225001.db2.gz GEFSXZFADFHNHL-IAGOWNOFSA-N 2 0 326.529 2.479 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341542866 465225406 /nfs/dbraw/zinc/22/54/06/465225406.db2.gz GEFSXZFADFHNHL-CALCHBBNSA-N 2 0 326.529 2.479 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000358645507 465239877 /nfs/dbraw/zinc/23/98/77/465239877.db2.gz CQTQXIUDMFHBSZ-UHFFFAOYSA-N 2 0 344.503 2.412 10 0 EEAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493248 465304769 /nfs/dbraw/zinc/30/47/69/465304769.db2.gz GXBSUZVIYYZSQS-MOPGFXCFSA-N 2 0 330.472 2.294 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000568212719 468298366 /nfs/dbraw/zinc/29/83/66/468298366.db2.gz HUWAONUGIUTQMC-ZBFHGGJFSA-N 2 0 337.895 2.443 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nnc(-c2ccccc2)o1 ZINC000069517924 463265292 /nfs/dbraw/zinc/26/52/92/463265292.db2.gz YXRLPCZQLODPLZ-CQSZACIVSA-N 2 0 330.432 2.092 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000124189893 463397142 /nfs/dbraw/zinc/39/71/42/463397142.db2.gz WCRTZNBCCJUUHU-DNVCBOLYSA-N 2 0 336.524 2.306 10 0 EEAERP CCC[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000161766688 463456452 /nfs/dbraw/zinc/45/64/52/463456452.db2.gz LTCFPBMNMOCUPQ-GOSISDBHSA-N 2 0 332.492 2.103 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000553380168 468363413 /nfs/dbraw/zinc/36/34/13/468363413.db2.gz JZHHIYHPNQIAQK-INIZCTEOSA-N 2 0 329.488 2.281 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000262152488 463958864 /nfs/dbraw/zinc/95/88/64/463958864.db2.gz XLUVAIXHIXBQKE-IAGOWNOFSA-N 2 0 333.451 2.376 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000195122403 463996172 /nfs/dbraw/zinc/99/61/72/463996172.db2.gz RHFQRZQLMKXKCP-GJZGRUSLSA-N 2 0 336.505 2.278 10 0 EEAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(CCc2ccccc2)CC1 ZINC000237973991 464413846 /nfs/dbraw/zinc/41/38/46/464413846.db2.gz XJCXSINLJSJXTM-UFYCRDLUSA-N 2 0 341.499 2.294 10 0 EEAERP CCC[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000182513282 464672257 /nfs/dbraw/zinc/67/22/57/464672257.db2.gz XQBXEJLDSRPBDP-RBUKOAKNSA-N 2 0 347.503 2.018 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000247409398 464676437 /nfs/dbraw/zinc/67/64/37/464676437.db2.gz RORHKJINSIOUKW-CRAIPNDOSA-N 2 0 336.524 2.421 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC000339533970 465326753 /nfs/dbraw/zinc/32/67/53/465326753.db2.gz NZWLGNFGHAZKER-GOSISDBHSA-N 2 0 335.411 2.282 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351800830 465368499 /nfs/dbraw/zinc/36/84/99/465368499.db2.gz AWAWULMFLPQUGA-MRXNPFEDSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2CCN(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359018675 465371727 /nfs/dbraw/zinc/37/17/27/465371727.db2.gz MAJXULUTLXYSQP-QFBILLFUSA-N 2 0 342.487 2.139 10 0 EEAERP C[C@@H]1CN(c2ccccc2C[NH2+]CCCC[NH+]2CCOCC2)CCO1 ZINC000298789409 465506066 /nfs/dbraw/zinc/50/60/66/465506066.db2.gz QMCURIZPWUROCT-GOSISDBHSA-N 2 0 347.503 2.114 10 0 EEAERP C[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000366284331 465632887 /nfs/dbraw/zinc/63/28/87/465632887.db2.gz POCFSJGSVNOKHN-WWDZGPRUSA-N 2 0 336.524 2.425 10 0 EEAERP Cc1ccc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000299424497 465744364 /nfs/dbraw/zinc/74/43/64/465744364.db2.gz JGEOIKJQKKYXOB-UHFFFAOYSA-N 2 0 325.522 2.331 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000353269550 465761025 /nfs/dbraw/zinc/76/10/25/465761025.db2.gz IQHAFZYXADNFTB-HAGHYFMRSA-N 2 0 337.552 2.443 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)C(C)C ZINC000340095019 465762635 /nfs/dbraw/zinc/76/26/35/465762635.db2.gz PGCDAYQUJPYCDV-MSOLQXFVSA-N 2 0 332.492 2.461 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)[C@H]2CCC[C@@H]21 ZINC000353441160 465883508 /nfs/dbraw/zinc/88/35/08/465883508.db2.gz AIUTWKOIGDDURU-IKGGRYGDSA-N 2 0 331.460 2.347 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000366856776 465978056 /nfs/dbraw/zinc/97/80/56/465978056.db2.gz TYFZOUFBNWHUEC-ZWKOTPCHSA-N 2 0 348.466 2.212 10 0 EEAERP O=C(NCCn1ccnc1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367152670 466162256 /nfs/dbraw/zinc/16/22/56/466162256.db2.gz IMWYEPODHQDSFA-HNNXBMFYSA-N 2 0 342.447 2.005 10 0 EEAERP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349778995 466237072 /nfs/dbraw/zinc/23/70/72/466237072.db2.gz RVHRQNPWZWKFPG-ZWKOTPCHSA-N 2 0 348.466 2.307 10 0 EEAERP OC1(CNc2ccnc(C3CC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000580761166 468483215 /nfs/dbraw/zinc/48/32/15/468483215.db2.gz ACPLMCSCJNPSCO-UHFFFAOYSA-N 2 0 338.455 2.793 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000358161243 466503938 /nfs/dbraw/zinc/50/39/38/466503938.db2.gz FERIOSHCNLVOQX-GOSISDBHSA-N 2 0 334.508 2.012 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000358195314 466531145 /nfs/dbraw/zinc/53/11/45/466531145.db2.gz LNMIZBMPBSOCTK-MRXNPFEDSA-N 2 0 336.505 2.302 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422880312 466686468 /nfs/dbraw/zinc/68/64/68/466686468.db2.gz WSLLAXZZUXFVGS-XWTMOSNGSA-N 2 0 345.487 2.021 10 0 EEAERP [NH3+]CCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000417579625 466887440 /nfs/dbraw/zinc/88/74/40/466887440.db2.gz QAEMLGOVMFZIEA-MRXNPFEDSA-N 2 0 338.883 2.343 10 0 EEAERP C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417588283 466888050 /nfs/dbraw/zinc/88/80/50/466888050.db2.gz PBWQGZCCLNHGDZ-MAUKXSAKSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000417657443 466900957 /nfs/dbraw/zinc/90/09/57/466900957.db2.gz HVIPEHYHAZAYPZ-DZGCQCFKSA-N 2 0 336.455 2.075 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C[C@@]1(C)C[NH3+] ZINC000417827690 466947667 /nfs/dbraw/zinc/94/76/67/466947667.db2.gz DTNOJBMFOICFEY-AUUYWEPGSA-N 2 0 328.460 2.047 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417854991 466957147 /nfs/dbraw/zinc/95/71/47/466957147.db2.gz ULXCQTKBIUBHQW-GOSISDBHSA-N 2 0 336.524 2.280 10 0 EEAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373932477 466973585 /nfs/dbraw/zinc/97/35/85/466973585.db2.gz IDSIEQHFPVKXQL-ROUUACIJSA-N 2 0 334.508 2.131 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000377026198 467001999 /nfs/dbraw/zinc/00/19/99/467001999.db2.gz ACMMRSRSTWCYMG-APWZRJJASA-N 2 0 342.487 2.139 10 0 EEAERP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418038779 467031060 /nfs/dbraw/zinc/03/10/60/467031060.db2.gz FWLGEUIVPDANEY-HKUYNNGSSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418148212 467058896 /nfs/dbraw/zinc/05/88/96/467058896.db2.gz REJISHLSSLCIHU-LZQZEXGQSA-N 2 0 344.503 2.194 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418554582 467128237 /nfs/dbraw/zinc/12/82/37/467128237.db2.gz VKPXOGHIMNAIRC-RBUKOAKNSA-N 2 0 344.503 2.292 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418582616 467131735 /nfs/dbraw/zinc/13/17/35/467131735.db2.gz ABURMXAKMGPOQC-AEFFLSMTSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418598598 467133749 /nfs/dbraw/zinc/13/37/49/467133749.db2.gz QRKQEOFYSBTRDT-NTDBWNAOSA-N 2 0 344.503 2.289 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000418604149 467135266 /nfs/dbraw/zinc/13/52/66/467135266.db2.gz XFELAZSIVRJDHM-WMZOPIPTSA-N 2 0 344.503 2.290 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000418652844 467141325 /nfs/dbraw/zinc/14/13/25/467141325.db2.gz NMYKNVDACKHPJU-ZTFGCOKTSA-N 2 0 332.492 2.230 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379808118 467371040 /nfs/dbraw/zinc/37/10/40/467371040.db2.gz OLPGBBKVJQGJLQ-WDSOQIARSA-N 2 0 329.488 2.403 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@](C)(C[NH3+])C(C)C)CC1 ZINC000414727593 467433464 /nfs/dbraw/zinc/43/34/64/467433464.db2.gz AVSUTIWEDATBKI-LJQANCHMSA-N 2 0 347.507 2.323 10 0 EEAERP COC1([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000453147762 467464276 /nfs/dbraw/zinc/46/42/76/467464276.db2.gz JPRJKECXZMHMFY-MRXNPFEDSA-N 2 0 333.476 2.472 10 0 EEAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415043524 467474205 /nfs/dbraw/zinc/47/42/05/467474205.db2.gz RPHHKGBSEFFHMF-FZMZJTMJSA-N 2 0 345.256 2.487 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436236403 467524360 /nfs/dbraw/zinc/52/43/60/467524360.db2.gz FPTXTHZAIXIPSX-GUDVDZBRSA-N 2 0 329.488 2.500 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(O)CCO[C@H]2C)CC1 ZINC000449293405 467628627 /nfs/dbraw/zinc/62/86/27/467628627.db2.gz VGHJBXYGQQBJGW-UWVAXJGDSA-N 2 0 332.488 2.212 10 0 EEAERP O[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)CC1(O)CCC1 ZINC000528508613 467691707 /nfs/dbraw/zinc/69/17/07/467691707.db2.gz XERLDWVNJSNOHW-UXHICEINSA-N 2 0 344.499 2.250 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000457910756 467727834 /nfs/dbraw/zinc/72/78/34/467727834.db2.gz KQOYVSFJLNNZAZ-RBUKOAKNSA-N 2 0 346.519 2.285 10 0 EEAERP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241881 467967151 /nfs/dbraw/zinc/96/71/51/467967151.db2.gz RMBWJDYNNIKCEW-FUHWJXTLSA-N 2 0 339.524 2.111 10 0 EEAERP COc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1OC ZINC000530247575 467968493 /nfs/dbraw/zinc/96/84/93/467968493.db2.gz ATTOEIDQUUJYOC-KRWDZBQOSA-N 2 0 334.460 2.294 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493963475 468011043 /nfs/dbraw/zinc/01/10/43/468011043.db2.gz YVFPWISVHRITSR-UHFFFAOYSA-N 2 0 331.504 2.350 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCC[NH2+]1 ZINC000567647185 468177143 /nfs/dbraw/zinc/17/71/43/468177143.db2.gz YDRSZCDRWSZXFC-MAZHCROVSA-N 2 0 329.423 2.129 10 0 EEAERP COc1ccccc1/C=C\C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000567871607 468228400 /nfs/dbraw/zinc/22/84/00/468228400.db2.gz WYGXDYZONBWXHP-QLBOMPFWSA-N 2 0 331.460 2.028 10 0 EEAERP c1cc2c(cc1C[N@H+]1CCCC[C@H]1CN1CCOCC1)C[NH2+]CC2 ZINC000568050704 468264693 /nfs/dbraw/zinc/26/46/93/468264693.db2.gz BCFIHMAPWXYGJM-FQEVSTJZSA-N 2 0 329.488 2.019 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000582962543 468623816 /nfs/dbraw/zinc/62/38/16/468623816.db2.gz HIIIXBIBGSPFTG-ZWKOTPCHSA-N 2 0 344.503 2.375 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)[C@H](C)C1 ZINC000592393720 468689247 /nfs/dbraw/zinc/68/92/47/468689247.db2.gz KIDUCNPDRBCPQY-CVEARBPZSA-N 2 0 340.508 2.445 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595014538 468743405 /nfs/dbraw/zinc/74/34/05/468743405.db2.gz BAQHPSDKUKVKGQ-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000571984099 468866639 /nfs/dbraw/zinc/86/66/39/468866639.db2.gz HOWOLKHYBNTYCG-LPHOPBHVSA-N 2 0 348.491 2.448 10 0 EEAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000561182290 468872386 /nfs/dbraw/zinc/87/23/86/468872386.db2.gz GJTJPONJBDFKJP-CRAIPNDOSA-N 2 0 329.488 2.428 10 0 EEAERP C[C@]1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000561203448 468875283 /nfs/dbraw/zinc/87/52/83/468875283.db2.gz ZLFHUXPUGHJFRY-PKOBYXMFSA-N 2 0 330.476 2.092 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000572346937 468919733 /nfs/dbraw/zinc/91/97/33/468919733.db2.gz GNDOMZRPCIMAJZ-YXWQFLTLSA-N 2 0 336.505 2.262 10 0 EEAERP Cc1cnccc1CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000584717680 468920411 /nfs/dbraw/zinc/92/04/11/468920411.db2.gz JEHDFMPALNASSI-YOFSQIOKSA-N 2 0 328.504 2.175 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000572689210 468970316 /nfs/dbraw/zinc/97/03/16/468970316.db2.gz RLDMELLKOAYBRB-INIZCTEOSA-N 2 0 332.492 2.451 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1n1cccn1 ZINC000562685704 469036953 /nfs/dbraw/zinc/03/69/53/469036953.db2.gz MABFZPBYWNQLSI-QRVBRYPASA-N 2 0 341.459 2.255 10 0 EEAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655883 469323498 /nfs/dbraw/zinc/32/34/98/469323498.db2.gz ZCOPVLYMOFUVNN-STQMWFEESA-N 2 0 330.213 2.303 10 0 EEAERP C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCCC1 ZINC000625941848 469443121 /nfs/dbraw/zinc/44/31/21/469443121.db2.gz JXPCXWSHQKVECH-UHFFFAOYSA-N 2 0 346.475 2.412 10 0 EEAERP CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625941629 469443429 /nfs/dbraw/zinc/44/34/29/469443429.db2.gz PEQUHMLGAKKVGP-UHFFFAOYSA-N 2 0 334.464 2.364 10 0 EEAERP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629397877 469530962 /nfs/dbraw/zinc/53/09/62/469530962.db2.gz FNRSJFGBGUSFAZ-UHFFFAOYSA-N 2 0 330.476 2.312 10 0 EEAERP C[C@]1(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000612879606 469570813 /nfs/dbraw/zinc/57/08/13/469570813.db2.gz AZTZZFDVXYDZCR-DLZDZTESSA-N 2 0 342.487 2.233 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000617014056 469572258 /nfs/dbraw/zinc/57/22/58/469572258.db2.gz FFAPCHVUPHHAER-QZTJIDSGSA-N 2 0 344.503 2.283 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1(C)C ZINC000623430539 469654999 /nfs/dbraw/zinc/65/49/99/469654999.db2.gz WNZRPRJKUJVFCI-IAGOWNOFSA-N 2 0 345.487 2.129 10 0 EEAERP C[N@@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1(C)C ZINC000623488456 469672667 /nfs/dbraw/zinc/67/26/67/469672667.db2.gz SSZUBJAAVJNIJT-RTBURBONSA-N 2 0 331.504 2.216 10 0 EEAERP C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526627 469684701 /nfs/dbraw/zinc/68/47/01/469684701.db2.gz KIGGKEKCNFJBHD-QGZVFWFLSA-N 2 0 334.508 2.375 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626925993 469757124 /nfs/dbraw/zinc/75/71/24/469757124.db2.gz USBLKZDZXHJQDO-YJBOKZPZSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000626927514 469758434 /nfs/dbraw/zinc/75/84/34/469758434.db2.gz QIKLSKWSYITFGD-MAUKXSAKSA-N 2 0 330.476 2.222 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626930677 469759276 /nfs/dbraw/zinc/75/92/76/469759276.db2.gz GKFZAOLUKBXGPS-APWZRJJASA-N 2 0 344.503 2.399 10 0 EEAERP C[C@H]1[C@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627039033 469798633 /nfs/dbraw/zinc/79/86/33/469798633.db2.gz QZNYISDDPHANBN-MXSMSXNCSA-N 2 0 330.476 2.089 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627163255 469829497 /nfs/dbraw/zinc/82/94/97/469829497.db2.gz HICROLFMWGHJME-GBESFXJTSA-N 2 0 344.503 2.433 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)[C@H]2CCC[C@@H]21 ZINC000624103652 469842656 /nfs/dbraw/zinc/84/26/56/469842656.db2.gz JKLAUHMGOLNOOJ-PMPSAXMXSA-N 2 0 346.462 2.406 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624343494 469912339 /nfs/dbraw/zinc/91/23/39/469912339.db2.gz WEMUTSOANOFNIE-BEFAXECRSA-N 2 0 345.487 2.431 10 0 EEAERP COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000628279226 470085921 /nfs/dbraw/zinc/08/59/21/470085921.db2.gz AMFVJJHBLCRAAD-HZPDHXFCSA-N 2 0 336.476 2.014 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000625257199 470106518 /nfs/dbraw/zinc/10/65/18/470106518.db2.gz XUKZLXCTAYMSHF-ZIAGYGMSSA-N 2 0 337.430 2.449 10 0 EEAERP CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649305976 470538744 /nfs/dbraw/zinc/53/87/44/470538744.db2.gz RHFBLKBDJCHBQW-XXQMMXQMSA-N 2 0 327.472 2.136 10 0 EEAERP CN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637015639 470562804 /nfs/dbraw/zinc/56/28/04/470562804.db2.gz SXALUFRRWFVXEV-ROUUACIJSA-N 2 0 330.476 2.044 10 0 EEAERP CN(C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637015638 470563015 /nfs/dbraw/zinc/56/30/15/470563015.db2.gz SXALUFRRWFVXEV-QZTJIDSGSA-N 2 0 330.476 2.044 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000639750535 470649533 /nfs/dbraw/zinc/64/95/33/470649533.db2.gz WEICRYQLYDFCQJ-RTBURBONSA-N 2 0 333.520 2.141 10 0 EEAERP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc2c1OCO2 ZINC000650722673 470950601 /nfs/dbraw/zinc/95/06/01/470950601.db2.gz ZCWAKCLDQLOSQB-OAGGEKHMSA-N 2 0 348.443 2.285 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000650847998 470983809 /nfs/dbraw/zinc/98/38/09/470983809.db2.gz NNYSPZSVSKOVDL-KRWDZBQOSA-N 2 0 326.529 2.384 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000651193314 471085060 /nfs/dbraw/zinc/08/50/60/471085060.db2.gz SCBNNLXMWSJHTO-KRWDZBQOSA-N 2 0 326.529 2.338 10 0 EEAERP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657503781 471154192 /nfs/dbraw/zinc/15/41/92/471154192.db2.gz WFHKWINUILBSPY-QGZVFWFLSA-N 2 0 335.411 2.133 10 0 EEAERP CN(C)c1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535963 471164300 /nfs/dbraw/zinc/16/43/00/471164300.db2.gz UZVLGNNXOUYYLF-UHFFFAOYSA-N 2 0 338.521 2.190 10 0 EEAERP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657594265 471178251 /nfs/dbraw/zinc/17/82/51/471178251.db2.gz HXKFDYZXXZICPK-IBGZPJMESA-N 2 0 328.460 2.320 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000657797201 471234893 /nfs/dbraw/zinc/23/48/93/471234893.db2.gz LSCJEZGCTJVQRM-UHFFFAOYSA-N 2 0 341.459 2.491 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@H]2COC3(CCC3)C2)c2ccccc2)CC1 ZINC000657869603 471242653 /nfs/dbraw/zinc/24/26/53/471242653.db2.gz YBJRRKVIQAZTAS-MOPGFXCFSA-N 2 0 329.488 2.276 10 0 EEAERP CN(C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652239301 471260988 /nfs/dbraw/zinc/26/09/88/471260988.db2.gz JNVYYAIISMECQR-QGZVFWFLSA-N 2 0 330.476 2.031 10 0 EEAERP CO[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000658075170 471264418 /nfs/dbraw/zinc/26/44/18/471264418.db2.gz WLDXHLGHIYSHBN-KVSKMBFKSA-N 2 0 336.476 2.329 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660394715 471321964 /nfs/dbraw/zinc/32/19/64/471321964.db2.gz CSWAJLVVVQURKO-MRXNPFEDSA-N 2 0 336.524 2.282 10 0 EEAERP CCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000663559590 471426013 /nfs/dbraw/zinc/42/60/13/471426013.db2.gz FPTXHGLWQNAJMY-SJORKVTESA-N 2 0 326.529 2.479 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000660759452 471474405 /nfs/dbraw/zinc/47/44/05/471474405.db2.gz BHUJBXITCJBTLB-OOKSDGMUSA-N 2 0 336.524 2.421 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000655799376 471487168 /nfs/dbraw/zinc/48/71/68/471487168.db2.gz OIBHUVAWNRPVQR-YRPNKDGESA-N 2 0 332.488 2.417 10 0 EEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000653221438 471541171 /nfs/dbraw/zinc/54/11/71/471541171.db2.gz WVSDVLLZSQKHHJ-UHFFFAOYSA-N 2 0 344.503 2.076 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663843447 471543657 /nfs/dbraw/zinc/54/36/57/471543657.db2.gz KWWOVJYOPYXFAQ-QZTJIDSGSA-N 2 0 332.492 2.333 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659429601 471623013 /nfs/dbraw/zinc/62/30/13/471623013.db2.gz UAKCZBCBPHAYAD-IAGOWNOFSA-N 2 0 336.455 2.109 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccsc1 ZINC000659435226 471626219 /nfs/dbraw/zinc/62/62/19/471626219.db2.gz WJCNAFJUUXYYSF-KFWWJZLASA-N 2 0 342.484 2.212 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCc3nc[nH]c3C2)o1 ZINC000667427077 471774866 /nfs/dbraw/zinc/77/48/66/471774866.db2.gz VGKPMXAHPPFWGL-AWEZNQCLSA-N 2 0 330.432 2.006 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234006 471976338 /nfs/dbraw/zinc/97/63/38/471976338.db2.gz VNGUJJFRBBKVLJ-OAHLLOKOSA-N 3 0 346.519 2.390 10 0 EEAERP C[C@H](NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000665273072 471986832 /nfs/dbraw/zinc/98/68/32/471986832.db2.gz PQYPGUICCUPZOB-PKOBYXMFSA-N 2 0 328.504 2.071 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665364933 472021008 /nfs/dbraw/zinc/02/10/08/472021008.db2.gz ZUFFFVIIJBEHPR-HNNXBMFYSA-N 2 0 336.480 2.226 10 0 EEAERP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253849 472045330 /nfs/dbraw/zinc/04/53/30/472045330.db2.gz WRWLYJYTMJNOQO-GOSISDBHSA-N 2 0 340.471 2.462 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 ZINC000662312645 472065250 /nfs/dbraw/zinc/06/52/50/472065250.db2.gz YGRYQZOTGVWCST-QWFCFKBJSA-N 2 0 342.487 2.472 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000662467756 472118696 /nfs/dbraw/zinc/11/86/96/472118696.db2.gz DXLJKEUNIYMKIN-QXAKKESOSA-N 2 0 329.488 2.498 10 0 EEAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501783 472130999 /nfs/dbraw/zinc/13/09/99/472130999.db2.gz FGGUVUWOMRTMOB-AABGKKOBSA-N 2 0 341.499 2.499 10 0 EEAERP CCOc1ccc(NC(=O)NCCN(C)CCC[NH+](C)C)cc1F ZINC000665807637 472196785 /nfs/dbraw/zinc/19/67/85/472196785.db2.gz XAURKOCFDUCYRP-UHFFFAOYSA-N 2 0 340.443 2.229 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000662747713 472233891 /nfs/dbraw/zinc/23/38/91/472233891.db2.gz CITVHRJPXGOZLA-CRAIPNDOSA-N 2 0 327.472 2.440 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[NH+](CC)CC ZINC000662867168 472282814 /nfs/dbraw/zinc/28/28/14/472282814.db2.gz QMNFECVNYKXSKU-QRVBRYPASA-N 2 0 347.503 2.377 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000310278486 485631823 /nfs/dbraw/zinc/63/18/23/485631823.db2.gz KFELOPIEVXHZBY-CJNGLKHVSA-N 2 0 343.393 2.165 10 0 EEAERP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000674149266 485648040 /nfs/dbraw/zinc/64/80/40/485648040.db2.gz UMLHUPFOTYAVNI-GOSISDBHSA-N 2 0 344.503 2.387 10 0 EEAERP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000684384369 485866227 /nfs/dbraw/zinc/86/62/27/485866227.db2.gz VZHOYJWIKHXJOO-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000684429855 485880306 /nfs/dbraw/zinc/88/03/06/485880306.db2.gz PYHINXLFOFTGKU-FQEVSTJZSA-N 2 0 348.487 2.397 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)CC1 ZINC000684926780 486038949 /nfs/dbraw/zinc/03/89/49/486038949.db2.gz ICVDOPKSRRKFFH-HCXYKTFWSA-N 2 0 335.536 2.340 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000416126343 534415581 /nfs/dbraw/zinc/41/55/81/534415581.db2.gz DPVVGKJJFJPQFE-RBUKOAKNSA-N 2 0 327.472 2.178 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415986635 528146460 /nfs/dbraw/zinc/14/64/60/528146460.db2.gz BNHAVODEBBAPTM-GOSISDBHSA-N 2 0 346.475 2.254 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416202311 529026119 /nfs/dbraw/zinc/02/61/19/529026119.db2.gz IQTRTANDPSZARB-IBGZPJMESA-N 2 0 329.488 2.424 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416146830 529084114 /nfs/dbraw/zinc/08/41/14/529084114.db2.gz VZLBKVYNLUOASX-QGZVFWFLSA-N 2 0 329.488 2.283 10 0 EEAERP CC(=O)Oc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000178141724 681716172 /nfs/dbraw/zinc/71/61/72/681716172.db2.gz STCPLNARDKIOAH-OAHLLOKOSA-N 2 0 334.460 2.137 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc2onc(C)c2c1 ZINC000894765378 683080857 /nfs/dbraw/zinc/08/08/57/683080857.db2.gz HBXZBFACQCBXJG-QGZVFWFLSA-N 2 0 345.491 2.379 10 0 EEAERP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[NH2+][C@@H]([C@H]5CCCO5)C4)n3)cc12 ZINC000904707187 694455173 /nfs/dbraw/zinc/45/51/73/694455173.db2.gz FGAURLWGEAHPSC-FVQBIDKESA-N 2 0 339.399 2.399 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485518894 1191823389 /nfs/dbraw/zinc/82/33/89/1191823389.db2.gz XWQCPNLOCUJANE-KXBFYZLASA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001485527504 1191826668 /nfs/dbraw/zinc/82/66/68/1191826668.db2.gz ZJAGUBMJYCDQEU-ZIAGYGMSSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001485739763 1191916816 /nfs/dbraw/zinc/91/68/16/1191916816.db2.gz ZRIZPKFZQCJUFY-WBVHZDCISA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001485814200 1191978203 /nfs/dbraw/zinc/97/82/03/1191978203.db2.gz RPOYOKMYIJBTMY-WMZOPIPTSA-N 2 0 348.491 2.184 10 0 EEAERP O=C(NC[C@@H]([NH2+]CCCC1CCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001266410107 1176498560 /nfs/dbraw/zinc/49/85/60/1176498560.db2.gz YHBGPBQESRLGSI-RTBURBONSA-N 2 0 333.520 2.393 10 0 EEAERP CC(C)OCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1ccnc1 ZINC001266496544 1176642623 /nfs/dbraw/zinc/64/26/23/1176642623.db2.gz QMQNLOSIEGMDTQ-KURKYZTESA-N 2 0 348.491 2.325 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2c(C)cccc2C)C1)[NH+](C)C ZINC001266601544 1176926407 /nfs/dbraw/zinc/92/64/07/1176926407.db2.gz GCSSXPYNEPNTLK-KZNAEPCWSA-N 2 0 347.503 2.259 10 0 EEAERP CC(C)(C(=O)N[C@H](C[NH2+]CCCF)C1CCCC1)[NH+]1CCCC1 ZINC001671549129 1176938889 /nfs/dbraw/zinc/93/88/89/1176938889.db2.gz SOKAZQFTALVRAE-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ccc(CCC[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001266744897 1177338133 /nfs/dbraw/zinc/33/81/33/1177338133.db2.gz WRJHIWHVTMZTAN-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCO1)C1CCC1 ZINC001266870446 1177653990 /nfs/dbraw/zinc/65/39/90/1177653990.db2.gz JZTKURXBLLYJKP-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266873667 1177676097 /nfs/dbraw/zinc/67/60/97/1177676097.db2.gz WENZPRFLJOCMGS-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001266904475 1177770030 /nfs/dbraw/zinc/77/00/30/1177770030.db2.gz JPQIIMBXCJUMNL-QXDIGNSFSA-N 2 0 337.483 2.190 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nc(C)c(C)s1 ZINC001691340120 1177936100 /nfs/dbraw/zinc/93/61/00/1177936100.db2.gz XMALURZYROPSCI-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267015307 1178091765 /nfs/dbraw/zinc/09/17/65/1178091765.db2.gz UHMQSAMAUVNJNF-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC[C@H]1CCC[N@H+]1CCCCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001267267070 1178644609 /nfs/dbraw/zinc/64/46/09/1178644609.db2.gz LCNZOMGRADISFA-IAGOWNOFSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC001267474601 1179106953 /nfs/dbraw/zinc/10/69/53/1179106953.db2.gz VFBWDMZSOBESRZ-STQMWFEESA-N 2 0 338.521 2.181 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267592034 1179580619 /nfs/dbraw/zinc/58/06/19/1179580619.db2.gz MKUJLZAXDQJSBQ-GOSISDBHSA-N 2 0 347.503 2.179 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](Cc2cncs2)C1)CC(C)(C)C ZINC001481112943 1179766374 /nfs/dbraw/zinc/76/63/74/1179766374.db2.gz USRKXMRVHIMEOF-AWEZNQCLSA-N 2 0 338.521 2.059 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001481120670 1179803858 /nfs/dbraw/zinc/80/38/58/1179803858.db2.gz IOJUZEHRODJKBS-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP CCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001417502945 1179883142 /nfs/dbraw/zinc/88/31/42/1179883142.db2.gz UOICEKWYFRYCIL-INIZCTEOSA-N 2 0 348.539 2.103 10 0 EEAERP C[C@@H](F)CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001481174926 1179989630 /nfs/dbraw/zinc/98/96/30/1179989630.db2.gz XVCRTZOWBUCXAE-OAHLLOKOSA-N 2 0 325.472 2.191 10 0 EEAERP C[N@H+](CCCCCF)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001267758368 1180426376 /nfs/dbraw/zinc/42/63/76/1180426376.db2.gz LQDWWXXDRHZRRA-QGZVFWFLSA-N 2 0 327.488 2.248 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOc1cccc(C)c1 ZINC001267818657 1180577208 /nfs/dbraw/zinc/57/72/08/1180577208.db2.gz LLNQFKNOWMQMAD-SFHVURJKSA-N 2 0 347.503 2.200 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001267933362 1180785383 /nfs/dbraw/zinc/78/53/83/1180785383.db2.gz GXTFKFBOCIAYHZ-IYARVYRRSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001268165998 1181901662 /nfs/dbraw/zinc/90/16/62/1181901662.db2.gz JTNFYYJQMCNUBT-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001268185932 1181971335 /nfs/dbraw/zinc/97/13/35/1181971335.db2.gz JMLVZSGPNCFEPC-KBXCAEBGSA-N 2 0 344.459 2.119 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CN(Cc2ccc(F)cc2)C1 ZINC001481660766 1182161938 /nfs/dbraw/zinc/16/19/38/1182161938.db2.gz NWUUKWYDBFFSPW-GJZGRUSLSA-N 2 0 333.451 2.247 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001481732221 1182410446 /nfs/dbraw/zinc/41/04/46/1182410446.db2.gz JODVKDDUYDMNGO-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001268393176 1182462269 /nfs/dbraw/zinc/46/22/69/1182462269.db2.gz IIUZCHMRJTZABH-QAPCUYQASA-N 2 0 333.476 2.164 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268414809 1182569943 /nfs/dbraw/zinc/56/99/43/1182569943.db2.gz MPJPPHOCPGINMQ-RDJZCZTQSA-N 2 0 342.487 2.494 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001268426634 1182594655 /nfs/dbraw/zinc/59/46/55/1182594655.db2.gz QLCFLUCPMAXPIQ-HNNXBMFYSA-N 2 0 333.476 2.041 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481775796 1182672836 /nfs/dbraw/zinc/67/28/36/1182672836.db2.gz PYZOJVWOSWTBRH-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001481823342 1182743718 /nfs/dbraw/zinc/74/37/18/1182743718.db2.gz DXIZAYMMJLHAQA-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(OC)c1C ZINC001481824347 1182744360 /nfs/dbraw/zinc/74/43/60/1182744360.db2.gz SZDXGPINLYFRLY-ZWKOTPCHSA-N 2 0 347.503 2.472 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)cc1F ZINC001481870951 1182831634 /nfs/dbraw/zinc/83/16/34/1182831634.db2.gz PFRDBIHMDIUHNG-HNNXBMFYSA-N 2 0 337.414 2.045 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCC2)C1 ZINC001481910025 1182930909 /nfs/dbraw/zinc/93/09/09/1182930909.db2.gz GMPHMCBVXANQIQ-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@](C[NH2+]Cc1ccsc1)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481931341 1182978923 /nfs/dbraw/zinc/97/89/23/1182978923.db2.gz NFSDDFCQEKXMBN-IEBWSBKVSA-N 2 0 347.528 2.464 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001481939517 1182996685 /nfs/dbraw/zinc/99/66/85/1182996685.db2.gz OTMBGSHOIGBFLZ-ZDFTWBFDSA-N 2 0 327.900 2.344 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@](C)(NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001481952774 1183023311 /nfs/dbraw/zinc/02/33/11/1183023311.db2.gz UCFKZNSOPCTSEM-HXUWFJFHSA-N 2 0 329.488 2.465 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001481977430 1183066695 /nfs/dbraw/zinc/06/66/95/1183066695.db2.gz VJCYQEAFLBZFMK-HKUYNNGSSA-N 2 0 346.519 2.386 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)[NH+](C)C ZINC001482006752 1183128887 /nfs/dbraw/zinc/12/88/87/1183128887.db2.gz ILKRACJQDADKFA-IBGZPJMESA-N 2 0 346.519 2.386 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001482023672 1183153061 /nfs/dbraw/zinc/15/30/61/1183153061.db2.gz YOIFGZMHEWIYSQ-KZNAEPCWSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001268542517 1183213595 /nfs/dbraw/zinc/21/35/95/1183213595.db2.gz QVCKKJJNKGKXJM-WRFKIARRSA-N 2 0 330.476 2.025 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001268585965 1183374818 /nfs/dbraw/zinc/37/48/18/1183374818.db2.gz CNALHJJKVCYLLX-KEGWNNHHSA-N 2 0 339.430 2.313 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001482158581 1183477473 /nfs/dbraw/zinc/47/74/73/1183477473.db2.gz GEPQTTYQJCAQBQ-SJLPKXTDSA-N 2 0 331.504 2.487 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001268617096 1183533619 /nfs/dbraw/zinc/53/36/19/1183533619.db2.gz MIGPJXWNEPCNAQ-OSFIAYCASA-N 2 0 333.451 2.415 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268639282 1183568615 /nfs/dbraw/zinc/56/86/15/1183568615.db2.gz GHNMZZSKIDDQOA-UTZUJLSZSA-N 2 0 345.487 2.287 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001268688219 1183612211 /nfs/dbraw/zinc/61/22/11/1183612211.db2.gz AUHUPISBYDYBFO-LPHOPBHVSA-N 2 0 347.503 2.205 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001268694598 1183620650 /nfs/dbraw/zinc/62/06/50/1183620650.db2.gz PQTBQMYWEJTOMN-KRWDZBQOSA-N 2 0 345.487 2.097 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001268733382 1183652793 /nfs/dbraw/zinc/65/27/93/1183652793.db2.gz HNAUZCXSDDDGII-ZDUSSCGKSA-N 2 0 338.883 2.156 10 0 EEAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268743893 1183661086 /nfs/dbraw/zinc/66/10/86/1183661086.db2.gz XCWDVHRBRYGFIJ-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001268826831 1183745852 /nfs/dbraw/zinc/74/58/52/1183745852.db2.gz SOJXBDAGNCAAHT-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP O=C(N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269071222 1183938926 /nfs/dbraw/zinc/93/89/26/1183938926.db2.gz FCHNLEAZZDZVAV-MOPGFXCFSA-N 2 0 331.504 2.313 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1)[NH+](C)C ZINC001269116118 1183973316 /nfs/dbraw/zinc/97/33/16/1183973316.db2.gz PDDBWRLRXDDWBC-TZMCWYRMSA-N 2 0 336.307 2.376 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001269741738 1184575204 /nfs/dbraw/zinc/57/52/04/1184575204.db2.gz OQUBCLLLFCEPQG-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001269766304 1184604353 /nfs/dbraw/zinc/60/43/53/1184604353.db2.gz VFTYXGWOGMSPHL-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001269797758 1184626841 /nfs/dbraw/zinc/62/68/41/1184626841.db2.gz BWNOZFBTKIGFOE-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cnccc2C)CC1)[NH+](C)C ZINC001269935382 1184728055 /nfs/dbraw/zinc/72/80/55/1184728055.db2.gz OSLNEXQDUYXPOP-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001269989568 1184770028 /nfs/dbraw/zinc/77/00/28/1184770028.db2.gz UJBIAZBGDWHERD-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001270041838 1184806498 /nfs/dbraw/zinc/80/64/98/1184806498.db2.gz KYYWIPZICGPWOA-XSLAGTTESA-N 2 0 339.524 2.301 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001270453211 1185107225 /nfs/dbraw/zinc/10/72/25/1185107225.db2.gz PCOJMGJQRRGANV-OAHLLOKOSA-N 2 0 327.432 2.189 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C/C=C/c1ccccc1 ZINC001270566809 1185176318 /nfs/dbraw/zinc/17/63/18/1185176318.db2.gz CVILATOJPLJKPO-ZGRWHYIRSA-N 2 0 327.472 2.138 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCC(F)(F)F)C2)CCC1 ZINC001270737159 1185355670 /nfs/dbraw/zinc/35/56/70/1185355670.db2.gz GTJIWSPSBXAJMF-AWEZNQCLSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001482381163 1185566715 /nfs/dbraw/zinc/56/67/15/1185566715.db2.gz UDZUTBITZCBRST-HOCLYGCPSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001482431346 1185697767 /nfs/dbraw/zinc/69/77/67/1185697767.db2.gz CJBNGXZEEXMYTF-MJGOQNOKSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccns2)C1 ZINC001482485296 1186206204 /nfs/dbraw/zinc/20/62/04/1186206204.db2.gz UNWMBHMFRPTAQP-LSDHHAIUSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC001271424488 1186209792 /nfs/dbraw/zinc/20/97/92/1186209792.db2.gz DVZBZZPFLJGWQV-MJGOQNOKSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC001271425583 1186210195 /nfs/dbraw/zinc/21/01/95/1186210195.db2.gz IIUPRYGJBNLSCI-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)on1 ZINC001271575550 1186322787 /nfs/dbraw/zinc/32/27/87/1186322787.db2.gz HHUUBSZMUZSVAH-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271725911 1186402194 /nfs/dbraw/zinc/40/21/94/1186402194.db2.gz CBIXWIYYZJACPQ-UKRRQHHQSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1N(C)C ZINC001482518618 1186443209 /nfs/dbraw/zinc/44/32/09/1186443209.db2.gz QPNDAUQOIGFOOF-HKUYNNGSSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272781762 1193495731 /nfs/dbraw/zinc/49/57/31/1193495731.db2.gz JFGDWFNAAKRKNH-INIZCTEOSA-N 2 0 332.492 2.331 10 0 EEAERP C[C@H](CC[NH2+]CCC[C@@H]1CCOC1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001482848024 1187766504 /nfs/dbraw/zinc/76/65/04/1187766504.db2.gz WEGCRZQCBUEMFZ-HUUCEWRRSA-N 2 0 344.459 2.478 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)sn1 ZINC001482851540 1187771120 /nfs/dbraw/zinc/77/11/20/1187771120.db2.gz ODPGIKBPTJHKEV-CYBMUJFWSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)on1 ZINC001482879993 1187788506 /nfs/dbraw/zinc/78/85/06/1187788506.db2.gz GEIUZWISKFPKKS-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482892101 1187818953 /nfs/dbraw/zinc/81/89/53/1187818953.db2.gz WGFUXQHJWBMDMM-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892356 1187819413 /nfs/dbraw/zinc/81/94/13/1187819413.db2.gz SJPRRDZPKBEFER-GFCCVEGCSA-N 2 0 341.908 2.482 10 0 EEAERP COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001670936997 1193529650 /nfs/dbraw/zinc/52/96/50/1193529650.db2.gz COVVOVBPHXXTJY-AYHJJNSGSA-N 2 0 349.519 2.153 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2ncccc2c1)C(=O)Cn1ccnc1 ZINC001272185802 1188000906 /nfs/dbraw/zinc/00/09/06/1188000906.db2.gz SPDWTMCUVTVADX-UHFFFAOYSA-N 2 0 337.427 2.022 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccncc1Cl)C12CCC[NH+]1CCC2 ZINC001483030346 1188050520 /nfs/dbraw/zinc/05/05/20/1188050520.db2.gz FHPDISKKRBAIFN-OWOJBTEDSA-N 2 0 348.878 2.125 10 0 EEAERP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691555926 1188260963 /nfs/dbraw/zinc/26/09/63/1188260963.db2.gz OGELNIGXYYNJCU-QGZVFWFLSA-N 2 0 329.488 2.065 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001733435989 1193552156 /nfs/dbraw/zinc/55/21/56/1193552156.db2.gz VZSAYHSPEBCXRM-OAHLLOKOSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001272881663 1193591366 /nfs/dbraw/zinc/59/13/66/1193591366.db2.gz JZZNLYJSHPQBGS-GDBMZVCRSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001272881665 1193591546 /nfs/dbraw/zinc/59/15/46/1193591546.db2.gz JZZNLYJSHPQBGS-HOCLYGCPSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccnc2C)CC[N@@H+]1C ZINC001485878925 1193624626 /nfs/dbraw/zinc/62/46/26/1193624626.db2.gz XLJYSINDFGKQQK-FHLIZLRMSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409368852 1189588661 /nfs/dbraw/zinc/58/86/61/1189588661.db2.gz MKAKIFJMZWJKLQ-CHWSQXEVSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001409398258 1189623161 /nfs/dbraw/zinc/62/31/61/1189623161.db2.gz MZGIJOTWHAZPQE-HOTGVXAUSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccns1 ZINC001485893549 1193632447 /nfs/dbraw/zinc/63/24/47/1193632447.db2.gz MUYWXJTVOMEVDB-GOEBONIOSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccon1 ZINC001409502158 1189902980 /nfs/dbraw/zinc/90/29/80/1189902980.db2.gz HICMZOHGHATWAX-GJZGRUSLSA-N 2 0 336.480 2.122 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001485956496 1193648558 /nfs/dbraw/zinc/64/85/58/1193648558.db2.gz XVYDCHJGTQXIOC-MSOLQXFVSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001483419722 1190466761 /nfs/dbraw/zinc/46/67/61/1190466761.db2.gz DAZQWSOJGPCUOW-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H]1C ZINC001486092983 1193679132 /nfs/dbraw/zinc/67/91/32/1193679132.db2.gz JILUINVOKQNOFX-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)noc1C ZINC001483468523 1190491023 /nfs/dbraw/zinc/49/10/23/1190491023.db2.gz BZUVGVSMMHTYII-QGZVFWFLSA-N 2 0 336.480 2.104 10 0 EEAERP CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)Cc1ncc[nH]1 ZINC001483500241 1190516130 /nfs/dbraw/zinc/51/61/30/1190516130.db2.gz MRLFATFGPSARSI-UHFFFAOYSA-N 2 0 334.851 2.286 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001483561460 1190550508 /nfs/dbraw/zinc/55/05/08/1190550508.db2.gz RPJXMRXSRHKPAE-IRXDYDNUSA-N 2 0 333.501 2.074 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565308 1190555013 /nfs/dbraw/zinc/55/50/13/1190555013.db2.gz SWOUVUAZIHQACI-UONOGXRCSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)C[NH+]1CCCC1 ZINC001486125580 1193688930 /nfs/dbraw/zinc/68/89/30/1193688930.db2.gz CCGJSGIJMOVQOC-MSOLQXFVSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272547134 1190874679 /nfs/dbraw/zinc/87/46/79/1190874679.db2.gz VKRBEINKZOADDX-KRWDZBQOSA-N 2 0 335.467 2.496 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCCCCF)C2)CC1 ZINC001272556020 1190877148 /nfs/dbraw/zinc/87/71/48/1190877148.db2.gz OMRGLQXQJHCYGP-MRXNPFEDSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1noc(C)c1C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001483848395 1191084226 /nfs/dbraw/zinc/08/42/26/1191084226.db2.gz RZMDHIBWFYHLKY-LJQANCHMSA-N 2 0 348.491 2.056 10 0 EEAERP CN(C(=O)CC[NH+]1CCCCC1)C1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001483893151 1191112067 /nfs/dbraw/zinc/11/20/67/1191112067.db2.gz KMNRZVIHHZMMNJ-KURKYZTESA-N 2 0 333.520 2.441 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001484197995 1191269647 /nfs/dbraw/zinc/26/96/47/1191269647.db2.gz OCFOGDCOADRZGX-HNNXBMFYSA-N 2 0 333.467 2.446 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC(F)(F)C1)C2 ZINC001484318594 1191302453 /nfs/dbraw/zinc/30/24/53/1191302453.db2.gz PQDKWPMDTRNJQP-BPUTZDHNSA-N 2 0 343.462 2.343 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1conc1C)C2 ZINC001484321578 1191303771 /nfs/dbraw/zinc/30/37/71/1191303771.db2.gz NTOKNYWTJKHRTN-JQHSSLGASA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](C)F)C[C@@H]2C1)[NH+](CC)CC ZINC001484412085 1191339118 /nfs/dbraw/zinc/33/91/18/1191339118.db2.gz JLLCHQNZNLCTBL-WCXIOVBPSA-N 2 0 327.488 2.245 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001484468182 1191373144 /nfs/dbraw/zinc/37/31/44/1191373144.db2.gz YVDIUBAKAOZDPP-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512164 1191390408 /nfs/dbraw/zinc/39/04/08/1191390408.db2.gz DDLVOBURBROBEW-FUHWJXTLSA-N 2 0 333.451 2.248 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484519828 1191394258 /nfs/dbraw/zinc/39/42/58/1191394258.db2.gz BHKWVCNPPYQULV-UYAOXDASSA-N 2 0 341.499 2.357 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]C2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC2)O1 ZINC001484638732 1191453795 /nfs/dbraw/zinc/45/37/95/1191453795.db2.gz HGQWIYJRFCISDS-SJORKVTESA-N 2 0 349.519 2.058 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001484832206 1191545787 /nfs/dbraw/zinc/54/57/87/1191545787.db2.gz SPWWHGIJFODADG-LJQANCHMSA-N 2 0 348.491 2.003 10 0 EEAERP C[N@H+](CC(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1)C1CCC1 ZINC001484918597 1191574958 /nfs/dbraw/zinc/57/49/58/1191574958.db2.gz VHUVDRFHVFSAOK-UHFFFAOYSA-N 2 0 335.414 2.394 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cnc(C)o2)[C@@H](C)C1 ZINC001484985774 1191602701 /nfs/dbraw/zinc/60/27/01/1191602701.db2.gz KOWMJRJCWNUCFD-HOCLYGCPSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](CC)CCF)CC2)CC[N@@H+]1C ZINC001485030800 1191621217 /nfs/dbraw/zinc/62/12/17/1191621217.db2.gz CTWKTXZIBAGKPO-DLBZAZTESA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001485110332 1191657437 /nfs/dbraw/zinc/65/74/37/1191657437.db2.gz FIFKWXJCICRLSB-ACBHZAAOSA-N 2 0 344.503 2.186 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC1CC(C[NH2+]CCC(F)(F)F)C1 ZINC001485110551 1191657651 /nfs/dbraw/zinc/65/76/51/1191657651.db2.gz MUYRDMXFRXYEQN-UHFFFAOYSA-N 2 0 335.414 2.299 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)Cc1cc(F)ccc1F ZINC001485319572 1191733422 /nfs/dbraw/zinc/73/34/22/1191733422.db2.gz NKTWNLIYGHQJAS-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001485455977 1191791830 /nfs/dbraw/zinc/79/18/30/1191791830.db2.gz CYCRTDFTSJIFHU-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cnccc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485461275 1191798490 /nfs/dbraw/zinc/79/84/90/1191798490.db2.gz GTSBLIZJMWVABI-MSOLQXFVSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nocc1C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001486160561 1193706524 /nfs/dbraw/zinc/70/65/24/1193706524.db2.gz OBRARNZWEYNSKL-PKOBYXMFSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001486249869 1193776775 /nfs/dbraw/zinc/77/67/75/1193776775.db2.gz LEANKRNKTQELCF-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C)[NH+](C)C ZINC001486402722 1193927540 /nfs/dbraw/zinc/92/75/40/1193927540.db2.gz IAZFOYFYFMUNAJ-ZIAGYGMSSA-N 2 0 333.467 2.492 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cncc(C)c2)C1 ZINC001272979937 1194288833 /nfs/dbraw/zinc/28/88/33/1194288833.db2.gz XXOKUOLBHQPTIS-PKOBYXMFSA-N 2 0 346.519 2.496 10 0 EEAERP CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123396 1194407059 /nfs/dbraw/zinc/40/70/59/1194407059.db2.gz SXEBRRXFCZXEHA-MRXNPFEDSA-N 2 0 329.488 2.329 10 0 EEAERP C[C@@]12CN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702082703 1195739229 /nfs/dbraw/zinc/73/92/29/1195739229.db2.gz RTCQYBNMIFTMOL-CMKODMSKSA-N 2 0 327.472 2.109 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CN(Cc2nc3ccccc3o2)CC1(C)C ZINC001410020224 1197377230 /nfs/dbraw/zinc/37/72/30/1197377230.db2.gz JAPCGKZRYDNYFF-INIZCTEOSA-N 2 0 344.459 2.106 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001410028489 1197464086 /nfs/dbraw/zinc/46/40/86/1197464086.db2.gz MWXXOXPZWACDKZ-KRWDZBQOSA-N 2 0 335.467 2.412 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2C1 ZINC001410197245 1197597822 /nfs/dbraw/zinc/59/78/22/1197597822.db2.gz WQKHAGVVATZOQP-BZUAXINKSA-N 2 0 343.462 2.200 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001410459281 1197936824 /nfs/dbraw/zinc/93/68/24/1197936824.db2.gz XXZQINGVENCNCF-NVXWUHKLSA-N 2 0 336.480 2.182 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCOC1 ZINC000872021969 1198027739 /nfs/dbraw/zinc/02/77/39/1198027739.db2.gz UTTCKRZTCHAGBR-MSOLQXFVSA-N 2 0 332.492 2.128 10 0 EEAERP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1)C1CCCC1 ZINC000872156121 1198061700 /nfs/dbraw/zinc/06/17/00/1198061700.db2.gz DYVANXDGPBBQGG-VQIMIIECSA-N 2 0 344.503 2.317 10 0 EEAERP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000872157251 1198061822 /nfs/dbraw/zinc/06/18/22/1198061822.db2.gz NWAHXGCYKZSGJU-RDJZCZTQSA-N 2 0 342.549 2.431 10 0 EEAERP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255052 1198113285 /nfs/dbraw/zinc/11/32/85/1198113285.db2.gz IWLUUWVZJHVLJN-UAGQMJEPSA-N 2 0 349.862 2.324 10 0 EEAERP CC[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254610 1198113756 /nfs/dbraw/zinc/11/37/56/1198113756.db2.gz ARPHQKLLPZAXEO-HPBDAGMYSA-N 2 0 329.444 2.047 10 0 EEAERP C[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Cl)c1 ZINC000872257253 1198115594 /nfs/dbraw/zinc/11/55/94/1198115594.db2.gz OEVUCVWQWIUUDY-SJWGOKEGSA-N 2 0 349.862 2.310 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000865247180 1198139689 /nfs/dbraw/zinc/13/96/89/1198139689.db2.gz ZDUXKPHDGULOEB-UHFFFAOYSA-N 2 0 340.581 2.399 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001273323556 1198166871 /nfs/dbraw/zinc/16/68/71/1198166871.db2.gz PEGVKYOJZHWYIQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865530981 1198262456 /nfs/dbraw/zinc/26/24/56/1198262456.db2.gz KMWFYPUXZDWALY-UHFFFAOYSA-N 2 0 328.863 2.380 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cnc3cc(F)c(F)cc3n2)C[C@H]1C[NH+](C)C ZINC000866012867 1198454356 /nfs/dbraw/zinc/45/43/56/1198454356.db2.gz SWHNYZWMWDKNMM-CHWSQXEVSA-N 2 0 349.429 2.084 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001410840562 1198489266 /nfs/dbraw/zinc/48/92/66/1198489266.db2.gz DNCNHFGLWDTKQX-DOTOQJQBSA-N 2 0 333.476 2.114 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001410886689 1198538327 /nfs/dbraw/zinc/53/83/27/1198538327.db2.gz COYJHBCVXOWXDK-YXJHDRRASA-N 2 0 325.472 2.332 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873239389 1198538779 /nfs/dbraw/zinc/53/87/79/1198538779.db2.gz VIGLCKRCXIFZEI-BWXQAISZSA-N 2 0 326.440 2.255 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](C[C@H]1CCCCO1)CC2 ZINC001410914029 1198568950 /nfs/dbraw/zinc/56/89/50/1198568950.db2.gz UTDLKQBVKVTLET-LMMKCTJWSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001411229240 1198939443 /nfs/dbraw/zinc/93/94/43/1198939443.db2.gz FHISKGNVSCGIBI-LSDHHAIUSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000810133180 1199291303 /nfs/dbraw/zinc/29/13/03/1199291303.db2.gz CWETTWNDIVMZGY-RKVPGOIHSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCC2(C)C)C[C@H]1C[NH+](C)C ZINC000875624995 1199321401 /nfs/dbraw/zinc/32/14/01/1199321401.db2.gz XLGGMVABMLIEHL-BRWVUGGUSA-N 2 0 338.540 2.194 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@H]1C[NH+](C)C ZINC000870016853 1200409464 /nfs/dbraw/zinc/40/94/64/1200409464.db2.gz CWJVDLPCLYCQAX-CHWSQXEVSA-N 2 0 341.858 2.291 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c2CCCC3)C[C@H]1C[NH+](C)C ZINC000870017063 1200409672 /nfs/dbraw/zinc/40/96/72/1200409672.db2.gz HAIJDWFMZGTWNH-QZTJIDSGSA-N 2 0 343.515 2.377 10 0 EEAERP C[C@H](CCc1cccnc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000866241849 1201474120 /nfs/dbraw/zinc/47/41/20/1201474120.db2.gz GNUIGANZSDNTRW-QGZVFWFLSA-N 2 0 339.487 2.339 10 0 EEAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000866516645 1201537565 /nfs/dbraw/zinc/53/75/65/1201537565.db2.gz RNSFCVNQQDLJLC-BZOOQXSSSA-N 2 0 339.505 2.248 10 0 EEAERP CN1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000866518123 1201538455 /nfs/dbraw/zinc/53/84/55/1201538455.db2.gz VCPKZRSTTYXGHJ-RXABAKJHSA-N 2 0 348.512 2.454 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000866519954 1201539065 /nfs/dbraw/zinc/53/90/65/1201539065.db2.gz YQEZJPLNNXCDIY-ZVZYQTTQSA-N 2 0 336.501 2.311 10 0 EEAERP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703277 1201584273 /nfs/dbraw/zinc/58/42/73/1201584273.db2.gz HVUOTNJQXJBSHL-RDTXWAMCSA-N 2 0 337.533 2.492 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868103101 1201743885 /nfs/dbraw/zinc/74/38/85/1201743885.db2.gz OOEFMVLKZBBQJO-SQNIBIBYSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1cc(C2CC2)no1 ZINC001274027190 1204335425 /nfs/dbraw/zinc/33/54/25/1204335425.db2.gz ULWCPAOADMZAAG-JXCVUKRWSA-N 2 0 346.475 2.187 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC001274263191 1204980353 /nfs/dbraw/zinc/98/03/53/1204980353.db2.gz NZIMGZDNSFTNKG-CFUPXEQDSA-N 2 0 337.414 2.382 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001274369967 1205011955 /nfs/dbraw/zinc/01/19/55/1205011955.db2.gz SRHYOEOETSTYCH-LAQIPUCWSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429883 1205033408 /nfs/dbraw/zinc/03/34/08/1205033408.db2.gz HRUPBMQQPURLRP-WTNGUMASSA-N 2 0 346.475 2.070 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCC(F)(F)F)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274431386 1205034108 /nfs/dbraw/zinc/03/41/08/1205034108.db2.gz ZBFSBSWQSYGTIC-GFCAHOMWSA-N 2 0 333.398 2.218 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2cncc(F)c2)CC1 ZINC001274480888 1205053194 /nfs/dbraw/zinc/05/31/94/1205053194.db2.gz BYSZBRDVXJBMLU-ARJAWSKDSA-N 2 0 348.466 2.103 10 0 EEAERP CC[N@H+](C)CCC(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001274489870 1205056035 /nfs/dbraw/zinc/05/60/35/1205056035.db2.gz NGHNIHRVXVNYDL-PYTPGESOSA-N 2 0 333.451 2.417 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274499993 1205059044 /nfs/dbraw/zinc/05/90/44/1205059044.db2.gz ZJMJCNWJQHGSQO-SHCNBLLESA-N 2 0 329.488 2.407 10 0 EEAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001274785946 1205164893 /nfs/dbraw/zinc/16/48/93/1205164893.db2.gz IHSYZBKCMWMAGM-JSGCOSHPSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275266508 1205293988 /nfs/dbraw/zinc/29/39/88/1205293988.db2.gz LLMLVYCOTWVJIN-KVSKMBFKSA-N 2 0 329.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2cncc(C)c2)C1 ZINC001276185770 1205823935 /nfs/dbraw/zinc/82/39/35/1205823935.db2.gz QOBASAZSFSSPJK-IBGZPJMESA-N 2 0 346.519 2.450 10 0 EEAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001276226361 1205843610 /nfs/dbraw/zinc/84/36/10/1205843610.db2.gz DWSHAHMQLYBFGH-RHSMWYFYSA-N 2 0 333.467 2.385 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924631339 1206007343 /nfs/dbraw/zinc/00/73/43/1206007343.db2.gz GWMWQZQAGYQSRW-XLIONFOSSA-N 2 0 330.520 2.408 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925331879 1206098586 /nfs/dbraw/zinc/09/85/86/1206098586.db2.gz XWEQVCKDTCFHLM-LPHOPBHVSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925505610 1206120822 /nfs/dbraw/zinc/12/08/22/1206120822.db2.gz QFNDZVPDZCOBOZ-FGTMMUONSA-N 2 0 345.535 2.088 10 0 EEAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1cccc(F)c1 ZINC000925505542 1206120999 /nfs/dbraw/zinc/12/09/99/1206120999.db2.gz SXUIZANOCPJGJJ-NEWSRXKRSA-N 2 0 336.451 2.323 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925802632 1206155371 /nfs/dbraw/zinc/15/53/71/1206155371.db2.gz PFRREEBSXUBJFA-XEBKBJJBSA-N 2 0 339.505 2.103 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cnn(C)c1 ZINC000925808484 1206155973 /nfs/dbraw/zinc/15/59/73/1206155973.db2.gz KUTWOJUOELWJEE-LJQANCHMSA-N 2 0 327.476 2.066 10 0 EEAERP C[C@H]1[NH2+]CCC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000925838424 1206158726 /nfs/dbraw/zinc/15/87/26/1206158726.db2.gz XEZVCOOBZXSFQZ-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(OC)cc1 ZINC000925852204 1206160902 /nfs/dbraw/zinc/16/09/02/1206160902.db2.gz DZFVKNSIFULFLJ-DLBZAZTESA-N 2 0 332.444 2.421 10 0 EEAERP CC(C)[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cn1 ZINC000925854317 1206161191 /nfs/dbraw/zinc/16/11/91/1206161191.db2.gz IVIBOSKQJANLCV-GDBMZVCRSA-N 2 0 335.423 2.193 10 0 EEAERP CC(C)C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853765 1206161259 /nfs/dbraw/zinc/16/12/59/1206161259.db2.gz REOONAWFVAVAII-RDJZCZTQSA-N 2 0 331.460 2.444 10 0 EEAERP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925881992 1206163596 /nfs/dbraw/zinc/16/35/96/1206163596.db2.gz IEWBORQTGIKDBP-HOJAQTOUSA-N 2 0 331.504 2.339 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000925887609 1206163835 /nfs/dbraw/zinc/16/38/35/1206163835.db2.gz HYMLVYKHFUIJLW-ZTNFWEORSA-N 2 0 348.454 2.372 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925903142 1206165906 /nfs/dbraw/zinc/16/59/06/1206165906.db2.gz CMINUXUGXZULBS-FUHWJXTLSA-N 2 0 347.507 2.058 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926253556 1206207914 /nfs/dbraw/zinc/20/79/14/1206207914.db2.gz GJSXGOCOUVJZSZ-CQSZACIVSA-N 2 0 342.281 2.389 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926256322 1206208275 /nfs/dbraw/zinc/20/82/75/1206208275.db2.gz 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ZINC000903482876 1240614655 /nfs/dbraw/zinc/61/46/55/1240614655.db2.gz WOQLGGKYUYELHI-OCCSQVGLSA-N 2 0 337.489 2.040 10 0 EEAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779219 1241922016 /nfs/dbraw/zinc/92/20/16/1241922016.db2.gz WOFOCOHZDMNXIY-LPHOPBHVSA-N 2 0 346.475 2.285 10 0 EEAERP c1ccc2c(c1)[C@H](C[C@@H]1COCC[NH2+]1)CN2C[C@@H]1CCCC[NH2+]C1 ZINC000903788278 1241966227 /nfs/dbraw/zinc/96/62/27/1241966227.db2.gz HLVGYOHLVJTSCT-KZNAEPCWSA-N 2 0 329.488 2.358 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cnn1C ZINC000903896253 1242373511 /nfs/dbraw/zinc/37/35/11/1242373511.db2.gz UIMNKJQUXWWICO-VQIMIIECSA-N 2 0 327.476 2.386 10 0 EEAERP Fc1ccc(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000903919170 1242487652 /nfs/dbraw/zinc/48/76/52/1242487652.db2.gz AQQOUZISCZQNAL-CQSZACIVSA-N 2 0 337.830 2.327 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2(c3ccccc3C)CC2)cnn1C ZINC000903927418 1242528382 /nfs/dbraw/zinc/52/83/82/1242528382.db2.gz YASIJDDKUJBQJC-KRWDZBQOSA-N 2 0 326.488 2.476 10 0 EEAERP Cn1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)n1 ZINC000903960061 1242734786 /nfs/dbraw/zinc/73/47/86/1242734786.db2.gz WGGBNTYZEFVZNB-IBGZPJMESA-N 2 0 325.460 2.448 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C\c1ccc(F)cc1F)C2 ZINC000903976817 1242826132 /nfs/dbraw/zinc/82/61/32/1242826132.db2.gz BUYMFHBBHBXJNT-ZDQPTHDFSA-N 2 0 336.382 2.190 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001490935357 1258490795 /nfs/dbraw/zinc/49/07/95/1258490795.db2.gz UKNMYJINIINQKL-AAVRWANBSA-N 2 0 333.398 2.193 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]Cc2nccs2)C1 ZINC001491184599 1258748628 /nfs/dbraw/zinc/74/86/28/1258748628.db2.gz HUCNJIAWCYVCQZ-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001491315579 1258942688 /nfs/dbraw/zinc/94/26/88/1258942688.db2.gz UIBATOSBWRCPJG-UKNAQKAOSA-N 2 0 347.478 2.474 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccsc1 ZINC001491457220 1259101240 /nfs/dbraw/zinc/10/12/40/1259101240.db2.gz ORTMAISSZSMPFF-PBHICJAKSA-N 2 0 335.517 2.117 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@]3(CC[N@H+](CCCCCF)C3)C2)CC1 ZINC001671081216 1278399581 /nfs/dbraw/zinc/39/95/81/1278399581.db2.gz SFTRPWBLHFOAEQ-SFHVURJKSA-N 2 0 339.499 2.392 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851674844 1277713698 /nfs/dbraw/zinc/71/36/98/1277713698.db2.gz KCOLMZPDPYJEND-QFBILLFUSA-N 2 0 334.508 2.179 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2cc(F)ccc2F)CC1 ZINC001490243391 1291054482 /nfs/dbraw/zinc/05/44/82/1291054482.db2.gz XXROFVSWGMBEEY-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)CC[C@@H]2CCCO2)ccc2c[nH+]cn21 ZINC001490216597 1291088292 /nfs/dbraw/zinc/08/82/92/1291088292.db2.gz SKGYJVLGYKUUNQ-KRWDZBQOSA-N 2 0 344.459 2.264 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1F ZINC001490319298 1291208861 /nfs/dbraw/zinc/20/88/61/1291208861.db2.gz YPOQZVWSQSDMKS-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@H]1CCCCO1 ZINC001490336521 1291232275 /nfs/dbraw/zinc/23/22/75/1291232275.db2.gz WWIZHIBORBJOQD-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@H]1CCCCO1 ZINC001490336520 1291233364 /nfs/dbraw/zinc/23/33/64/1291233364.db2.gz WWIZHIBORBJOQD-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1)C1CCC1 ZINC001490673873 1291557478 /nfs/dbraw/zinc/55/74/78/1291557478.db2.gz LHURVQQLFUQRDO-CZUORRHYSA-N 2 0 343.462 2.391 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCc1ccccc1F)C1CC1 ZINC001490680231 1291562574 /nfs/dbraw/zinc/56/25/74/1291562574.db2.gz UNOIEPGYULHBLG-RBUKOAKNSA-N 2 0 347.478 2.337 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC[C@@H](C)F)C2CC2)CC1 ZINC001490730917 1291637860 /nfs/dbraw/zinc/63/78/60/1291637860.db2.gz YCLMIZWCEXECJO-PBHICJAKSA-N 2 0 327.488 2.339 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3conc3C)C2)ccn1 ZINC000856547563 1293562308 /nfs/dbraw/zinc/56/23/08/1293562308.db2.gz ATNOTNVWJQJSCU-GOSISDBHSA-N 2 0 330.432 2.483 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)cc2)CC1 ZINC000859622963 1294555836 /nfs/dbraw/zinc/55/58/36/1294555836.db2.gz QDVDVTHNYMUZCY-RDJZCZTQSA-N 2 0 345.491 2.091 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)C12CCC2 ZINC000925492650 1294790101 /nfs/dbraw/zinc/79/01/01/1294790101.db2.gz MZAGVSGETDHVLB-KURKYZTESA-N 2 0 333.451 2.059 10 0 EEAERP O=C(NCC[NH+]1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000860357713 1294941434 /nfs/dbraw/zinc/94/14/34/1294941434.db2.gz IVHANAJLLLZYIY-SFHVURJKSA-N 2 0 327.472 2.111 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCCCF)C2)CC1 ZINC001491169484 1299650057 /nfs/dbraw/zinc/65/00/57/1299650057.db2.gz BBXZMDVLFBVSKJ-INIZCTEOSA-N 2 0 327.488 2.296 10 0 EEAERP 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1354841057 /nfs/dbraw/zinc/84/10/57/1354841057.db2.gz COKFALZRYUWQAG-IRXDYDNUSA-N 2 0 337.508 2.057 10 0 EEAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCOCC1)[NH+](C)C ZINC001663071755 1354907549 /nfs/dbraw/zinc/90/75/49/1354907549.db2.gz INZVGAZAXRXWNO-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)C12CC[NH+](CC1)C2 ZINC001664314325 1355137273 /nfs/dbraw/zinc/13/72/73/1355137273.db2.gz ZMVAZNGPYQMRKP-UHFFFAOYSA-N 2 0 327.428 2.077 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001665787490 1355388200 /nfs/dbraw/zinc/38/82/00/1355388200.db2.gz GHAGVPRYDBWHNZ-VQTJNVASSA-N 2 0 343.515 2.445 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001665789520 1355388407 /nfs/dbraw/zinc/38/84/07/1355388407.db2.gz XGDGPDZVCJLUMT-UMVBOHGHSA-N 2 0 338.883 2.060 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCCF)c1ccn(-c2cc[nH+]cc2)n1 ZINC001667738895 1355803731 /nfs/dbraw/zinc/80/37/31/1355803731.db2.gz 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Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670276088 1356309475 /nfs/dbraw/zinc/30/94/75/1356309475.db2.gz UATLGESRBWZSJV-HKUYNNGSSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001670344716 1356324210 /nfs/dbraw/zinc/32/42/10/1356324210.db2.gz KHZVLVCKILJIKI-KGLIPLIRSA-N 2 0 339.430 2.416 10 0 EEAERP COCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001672948102 1356621301 /nfs/dbraw/zinc/62/13/01/1356621301.db2.gz SDWIUXCPZGUXEZ-JXFKEZNVSA-N 2 0 345.487 2.086 10 0 EEAERP O=C(NCC1([NH2+]CCCc2ccccc2)CCC1)C12CC[NH+](CC1)C2 ZINC001673230602 1356655763 /nfs/dbraw/zinc/65/57/63/1356655763.db2.gz UTSWKKRODHKJIY-UHFFFAOYSA-N 2 0 341.499 2.344 10 0 EEAERP CCCCOCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001673982437 1356767171 /nfs/dbraw/zinc/76/71/71/1356767171.db2.gz XYSANEZNGDSPRL-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCOC2CCC2)ccc2c[nH+]cn21 ZINC001674687827 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JGLUHWAWVQKQFI-CZUORRHYSA-N 2 0 340.899 2.258 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001698919628 1405161080 /nfs/dbraw/zinc/16/10/80/1405161080.db2.gz CXYZFMNTNRZVOG-MSOLQXFVSA-N 2 0 349.519 2.012 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001699108958 1405265137 /nfs/dbraw/zinc/26/51/37/1405265137.db2.gz XXETZZAYSCGICY-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001699263053 1405305688 /nfs/dbraw/zinc/30/56/88/1405305688.db2.gz UMAMXMIDBYKHMV-XPQDNOAISA-N 2 0 335.517 2.283 10 0 EEAERP CN(CCC[NH2+]Cc1ccccc1C1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699549957 1405385831 /nfs/dbraw/zinc/38/58/31/1405385831.db2.gz ADNHNKRDUFBBGZ-SFHVURJKSA-N 2 0 329.488 2.454 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCc3ccccc3)C2)C1 ZINC001699856150 1405530365 /nfs/dbraw/zinc/53/03/65/1405530365.db2.gz JTKAATUWMHUHBD-AZUAARDMSA-N 2 0 329.488 2.009 10 0 EEAERP CC[NH+](CC)Cc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000907651908 784776671 /nfs/dbraw/zinc/77/66/71/784776671.db2.gz NJRZQKIDGJTCIF-LJQANCHMSA-N 2 0 333.476 2.314 10 0 EEAERP C[NH+](C)C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccc(Cl)cc1 ZINC000908157351 785124400 /nfs/dbraw/zinc/12/44/00/785124400.db2.gz RIKFIYAYSFIZJY-OAHLLOKOSA-N 2 0 335.879 2.197 10 0 EEAERP C[NH+](C)C[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccc(Cl)cc1 ZINC000908157350 785124419 /nfs/dbraw/zinc/12/44/19/785124419.db2.gz RIKFIYAYSFIZJY-HNNXBMFYSA-N 2 0 335.879 2.197 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908234837 785253990 /nfs/dbraw/zinc/25/39/90/785253990.db2.gz BPCZFCGXSUFZIF-RBUKOAKNSA-N 2 0 344.503 2.379 10 0 EEAERP C[N@H+](CCOc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1)C1CCOCC1 ZINC000819012744 785363002 /nfs/dbraw/zinc/36/30/02/785363002.db2.gz JXBDNEQHWVSJFS-HXUWFJFHSA-N 2 0 348.487 2.037 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912598848 788255194 /nfs/dbraw/zinc/25/51/94/788255194.db2.gz HBWSSKHIIGRDOS-LSDHHAIUSA-N 2 0 327.538 2.050 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921523284 788838250 /nfs/dbraw/zinc/83/82/50/788838250.db2.gz WCTRVOTXCBEXMG-UHFFFAOYSA-N 2 0 325.888 2.056 10 0 EEAERP COC[C@H](C)[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000923412518 789519369 /nfs/dbraw/zinc/51/93/69/789519369.db2.gz ZBYROMNMJBXVKR-VDZJLULYSA-N 2 0 330.472 2.389 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000923430614 789540877 /nfs/dbraw/zinc/54/08/77/789540877.db2.gz IGQAJBVNBSTZSB-UXIGCNINSA-N 2 0 327.266 2.399 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509277 789695352 /nfs/dbraw/zinc/69/53/52/789695352.db2.gz ZRZCDPCHEMUYPC-GIVPXCGWSA-N 3 0 345.531 2.019 10 0 EEAERP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000846217808 790091123 /nfs/dbraw/zinc/09/11/23/790091123.db2.gz CPGVEJLYNALDFO-UHFFFAOYSA-N 2 0 325.403 2.242 10 0 EEAERP C[C@@]12CN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000713376795 794596664 /nfs/dbraw/zinc/59/66/64/794596664.db2.gz IZRQZGPGOQVYJP-QBVCYTKMSA-N 2 0 339.483 2.094 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000915135154 795669646 /nfs/dbraw/zinc/66/96/46/795669646.db2.gz FABHYAKREQBFPK-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000915134984 795669710 /nfs/dbraw/zinc/66/97/10/795669710.db2.gz ANYCGONTDXQGBB-QZTJIDSGSA-N 2 0 330.476 2.044 10 0 EEAERP O[C@]1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716672151 796405951 /nfs/dbraw/zinc/40/59/51/796405951.db2.gz IJGLQHKIBRXMRD-LWYYNNOASA-N 2 0 330.472 2.171 10 0 EEAERP CCN1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1=O ZINC000716713306 796444600 /nfs/dbraw/zinc/44/46/00/796444600.db2.gz OFISEJDXBQRJAG-OKYOBFRVSA-N 2 0 327.472 2.250 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785455864 796941892 /nfs/dbraw/zinc/94/18/92/796941892.db2.gz NUVXIKUXCQXZFV-UHFFFAOYSA-N 2 0 329.286 2.394 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000916032190 797486472 /nfs/dbraw/zinc/48/64/72/797486472.db2.gz KXZKBUQKHBXPCZ-GOSISDBHSA-N 2 0 347.507 2.106 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000916361479 797592347 /nfs/dbraw/zinc/59/23/47/797592347.db2.gz OLFQYBJHUMRVHR-NVXWUHKLSA-N 2 0 335.496 2.104 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)c(C)n1 ZINC001566466317 1125627111 /nfs/dbraw/zinc/62/71/11/1125627111.db2.gz VYDAKIPOZOHMIJ-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001566565576 1125741171 /nfs/dbraw/zinc/74/11/71/1125741171.db2.gz WBLKUHPYIKPOKH-WBVHZDCISA-N 2 0 347.507 2.016 10 0 EEAERP COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)ccc1C ZINC001436405905 1087753382 /nfs/dbraw/zinc/75/33/82/1087753382.db2.gz VXYMUUGCJAOROH-IYARVYRRSA-N 2 0 345.487 2.084 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC4CC4)[C@@H]3C2(C)C)CC1 ZINC001436438339 1087822891 /nfs/dbraw/zinc/82/28/91/1087822891.db2.gz CVWFAVZFMVBYFL-BBWFWOEESA-N 2 0 333.520 2.343 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@H](OC)C2CCC2)CC1)[NH+](C)C ZINC001436677861 1088126559 /nfs/dbraw/zinc/12/65/59/1088126559.db2.gz WUDWZUMFCGIIET-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC001436743346 1088227051 /nfs/dbraw/zinc/22/70/51/1088227051.db2.gz DUDBCTKBSIPFEO-MRXNPFEDSA-N 2 0 329.444 2.464 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001436978201 1088675150 /nfs/dbraw/zinc/67/51/50/1088675150.db2.gz NMMQCUUBVCCBLG-HDICACEKSA-N 2 0 330.476 2.085 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001437005162 1088770296 /nfs/dbraw/zinc/77/02/96/1088770296.db2.gz YPZICUZEPLKTKX-VFADXPBXSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC001437124691 1089106329 /nfs/dbraw/zinc/10/63/29/1089106329.db2.gz AZLCLKOXXRKGDL-SWLSCSKDSA-N 2 0 338.521 2.227 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cncc(F)c1 ZINC001437210842 1089289775 /nfs/dbraw/zinc/28/97/75/1089289775.db2.gz DOFLKUFEBVEBFY-HUUCEWRRSA-N 2 0 336.455 2.080 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001437217990 1089299335 /nfs/dbraw/zinc/29/93/35/1089299335.db2.gz XBWKSEKDNYHNOT-UKRRQHHQSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437264882 1089411049 /nfs/dbraw/zinc/41/10/49/1089411049.db2.gz XLNRVDBXKSFFAE-NVXWUHKLSA-N 2 0 333.476 2.020 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC001437404661 1089679557 /nfs/dbraw/zinc/67/95/57/1089679557.db2.gz RYOLZIONLWFYCX-QWHCGFSZSA-N 2 0 338.521 2.086 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cnccc1C ZINC001437626200 1090140084 /nfs/dbraw/zinc/14/00/84/1090140084.db2.gz QPJKVWIATXHXIL-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC[C@@H]1CCCCO1 ZINC001437633661 1090150768 /nfs/dbraw/zinc/15/07/68/1090150768.db2.gz SCXVYAVCBYWKJQ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]([NH2+]CCC(F)(F)F)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001437842622 1090427062 /nfs/dbraw/zinc/42/70/62/1090427062.db2.gz OFYCGPURYRVLHV-UMVBOHGHSA-N 2 0 349.441 2.496 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001437919282 1090506286 /nfs/dbraw/zinc/50/62/86/1090506286.db2.gz BTHWBKJWEIBSPY-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCCF)C1 ZINC001437939192 1090531505 /nfs/dbraw/zinc/53/15/05/1090531505.db2.gz SXGOINHYMLVBLF-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)c1ocnc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001437955393 1090552496 /nfs/dbraw/zinc/55/24/96/1090552496.db2.gz CGNVQQXJGIYMJO-HNNXBMFYSA-N 2 0 345.447 2.023 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437991596 1090588223 /nfs/dbraw/zinc/58/82/23/1090588223.db2.gz PUJAAJUCPMRCJA-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CC/C=C/c3ccccc3)C2)C1 ZINC001438164524 1090677162 /nfs/dbraw/zinc/67/71/62/1090677162.db2.gz XVQHGIILKMDKOS-SQUITACLSA-N 2 0 341.499 2.480 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ncc(C)s1 ZINC001438308178 1090786351 /nfs/dbraw/zinc/78/63/51/1090786351.db2.gz WQJAERLFIDDBSH-HUUCEWRRSA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)ns1 ZINC001438310217 1090788006 /nfs/dbraw/zinc/78/80/06/1090788006.db2.gz JMHZLTWBIYXVDZ-HUUCEWRRSA-N 2 0 338.521 2.310 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001438405926 1090892775 /nfs/dbraw/zinc/89/27/75/1090892775.db2.gz VUUJQXOSHIGTAB-UHFFFAOYSA-N 2 0 347.503 2.474 10 0 EEAERP Cc1conc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001438415538 1090908554 /nfs/dbraw/zinc/90/85/54/1090908554.db2.gz QVHUURZWNWXMNQ-PKOBYXMFSA-N 2 0 348.491 2.230 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001438445060 1090948543 /nfs/dbraw/zinc/94/85/43/1090948543.db2.gz NBWGKJJUEICVOI-QAQDUYKDSA-N 2 0 348.491 2.376 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CCC(F)(F)F)CC1 ZINC001438451594 1090958782 /nfs/dbraw/zinc/95/87/82/1090958782.db2.gz BTUIHQFDMMOUTO-UHFFFAOYSA-N 2 0 335.414 2.253 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001438458501 1090968291 /nfs/dbraw/zinc/96/82/91/1090968291.db2.gz XBRRBWCACZLIPQ-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001438701311 1091209776 /nfs/dbraw/zinc/20/97/76/1091209776.db2.gz PLPYWJFOSIYOMJ-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCOCC1 ZINC001438800065 1091405956 /nfs/dbraw/zinc/40/59/56/1091405956.db2.gz GCHSRBJQKPHPJH-QZTJIDSGSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001445655449 1091443474 /nfs/dbraw/zinc/44/34/74/1091443474.db2.gz KTBIGHXNOQIGLA-WMZOPIPTSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445746173 1091577226 /nfs/dbraw/zinc/57/72/26/1091577226.db2.gz IXSBULSBEMBDNW-RDTXWAMCSA-N 2 0 333.451 2.104 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001438929665 1091609268 /nfs/dbraw/zinc/60/92/68/1091609268.db2.gz XTKFCCBSEQMORL-SFHVURJKSA-N 2 0 334.508 2.175 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001439108647 1091753202 /nfs/dbraw/zinc/75/32/02/1091753202.db2.gz KGGCLKMUGUDWEZ-BPQIPLTHSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC001439153327 1091794427 /nfs/dbraw/zinc/79/44/27/1091794427.db2.gz YBHHMYMKWBFBSI-XUJVJEKNSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)CC[N@@H+]1C ZINC001445951863 1091894870 /nfs/dbraw/zinc/89/48/70/1091894870.db2.gz RAFJOACUGPZPRG-ARFHVFGLSA-N 2 0 343.462 2.246 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001445958059 1091904136 /nfs/dbraw/zinc/90/41/36/1091904136.db2.gz XQJKIHPEIBYRHD-HZPDHXFCSA-N 2 0 336.505 2.000 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001439346702 1092053151 /nfs/dbraw/zinc/05/31/51/1092053151.db2.gz YHDBAMRNEWTZMI-QAPCUYQASA-N 2 0 333.476 2.116 10 0 EEAERP C[C@H](C[N@H+](C)CC[C@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439355748 1092070471 /nfs/dbraw/zinc/07/04/71/1092070471.db2.gz QVCGMGFNQWROHI-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP COc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001439397638 1092151034 /nfs/dbraw/zinc/15/10/34/1092151034.db2.gz IGDPNKRTOZXJAS-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1F ZINC001439473039 1092266899 /nfs/dbraw/zinc/26/68/99/1092266899.db2.gz AXDDFYCTRDWTST-KUHUBIRLSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1C ZINC001439496835 1092328623 /nfs/dbraw/zinc/32/86/23/1092328623.db2.gz PRGAKOJQRAFZQS-RTBURBONSA-N 2 0 329.488 2.240 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1)C1CCC1 ZINC001439622233 1092531734 /nfs/dbraw/zinc/53/17/34/1092531734.db2.gz PNBFUVJRMTXZMV-ZDUSSCGKSA-N 2 0 329.435 2.145 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001446338135 1092547407 /nfs/dbraw/zinc/54/74/07/1092547407.db2.gz XBBGJPGSFICAFV-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C3CCC3)C2)c(C)n1 ZINC001439852932 1092870386 /nfs/dbraw/zinc/87/03/86/1092870386.db2.gz GFALGUIHFZIGHT-FQEVSTJZSA-N 2 0 344.503 2.263 10 0 EEAERP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+]3CCCCC3)C2)co1 ZINC001439908761 1092976944 /nfs/dbraw/zinc/97/69/44/1092976944.db2.gz JSLCNFZWSNEJKW-IBGZPJMESA-N 2 0 348.491 2.187 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001439932256 1093016456 /nfs/dbraw/zinc/01/64/56/1093016456.db2.gz DTCGRYBMMLRBQQ-LSBZLQRGSA-N 2 0 348.491 2.042 10 0 EEAERP COC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001439935518 1093028369 /nfs/dbraw/zinc/02/83/69/1093028369.db2.gz DOKOFZYVVPLBQP-VQIMIIECSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C\Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001448494381 1093521205 /nfs/dbraw/zinc/52/12/05/1093521205.db2.gz IRTATZYEOHVBHT-GRUMORMFSA-N 2 0 346.302 2.132 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1)c1ccccc1F ZINC001440362291 1093524841 /nfs/dbraw/zinc/52/48/41/1093524841.db2.gz MJHSXXZRCDVAFK-JYJNAYRXSA-N 2 0 333.451 2.467 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001448724964 1093796181 /nfs/dbraw/zinc/79/61/81/1093796181.db2.gz GTRNENGNJAGBQY-IRXDYDNUSA-N 2 0 349.523 2.104 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]Cc2cnoc2C)CC1 ZINC001440541049 1093809931 /nfs/dbraw/zinc/80/99/31/1093809931.db2.gz XCGFOQSEUQPPAO-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001448775774 1093854384 /nfs/dbraw/zinc/85/43/84/1093854384.db2.gz COBFQYXJPFYTBL-JXFKEZNVSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001448792429 1093870463 /nfs/dbraw/zinc/87/04/63/1093870463.db2.gz VCVSPGJHRIQSTP-KBXCAEBGSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001440670193 1093934681 /nfs/dbraw/zinc/93/46/81/1093934681.db2.gz AXQNNRYGYPEYQJ-GOEBONIOSA-N 2 0 336.480 2.230 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)o1 ZINC001449066429 1094081963 /nfs/dbraw/zinc/08/19/63/1094081963.db2.gz SCLLFELVCCHZQM-CVEARBPZSA-N 2 0 336.480 2.006 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)ccc1C ZINC001440965859 1094222951 /nfs/dbraw/zinc/22/29/51/1094222951.db2.gz CRNRHSOSRKNIKF-WBVHZDCISA-N 2 0 347.503 2.282 10 0 EEAERP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001440995499 1094263895 /nfs/dbraw/zinc/26/38/95/1094263895.db2.gz FPECERCOBCUPAC-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]Cc2conc2C)C2CC2)C1 ZINC001441246691 1094636597 /nfs/dbraw/zinc/63/65/97/1094636597.db2.gz LPMAHJJBELMQSH-FUHWJXTLSA-N 2 0 348.491 2.089 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccsc3)C2)CC1 ZINC001441615678 1095481101 /nfs/dbraw/zinc/48/11/01/1095481101.db2.gz XKUDBXDZXNVUJC-OAHLLOKOSA-N 2 0 335.517 2.418 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH+](C/C=C\Cl)C[C@H]21)c1ccccc1 ZINC001441728597 1095706691 /nfs/dbraw/zinc/70/66/91/1095706691.db2.gz CSVIGZRRCQLMHJ-VDSZYANQSA-N 2 0 347.890 2.478 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1C ZINC001441930928 1096118289 /nfs/dbraw/zinc/11/82/89/1096118289.db2.gz OIRBNSMMGWMYLW-FUHWJXTLSA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CC[C@H]3CCCC3(F)F)C2)CC1 ZINC001442103538 1096328245 /nfs/dbraw/zinc/32/82/45/1096328245.db2.gz KDQYYSKSEHKVCX-CABCVRRESA-N 2 0 343.462 2.344 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001442142737 1096390120 /nfs/dbraw/zinc/39/01/20/1096390120.db2.gz MUWGYEUYZOJEDL-RDTXWAMCSA-N 2 0 333.451 2.203 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001442216517 1096508242 /nfs/dbraw/zinc/50/82/42/1096508242.db2.gz RHKLMWVESDYSMG-DLBZAZTESA-N 2 0 339.524 2.065 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC001442218995 1096513928 /nfs/dbraw/zinc/51/39/28/1096513928.db2.gz NBTMTSJVCZBZTM-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001442293842 1096609460 /nfs/dbraw/zinc/60/94/60/1096609460.db2.gz MYINKBFWRZMQNT-ROUUACIJSA-N 2 0 346.519 2.496 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cncc(C)c1 ZINC001442756960 1097133663 /nfs/dbraw/zinc/13/36/63/1097133663.db2.gz QVMDNFQCMJNZMZ-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001442900936 1097303705 /nfs/dbraw/zinc/30/37/05/1097303705.db2.gz JGPKSWMFOJOEHD-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001443213274 1097668208 /nfs/dbraw/zinc/66/82/08/1097668208.db2.gz ADRXGSJRBFVHNH-KZNAEPCWSA-N 2 0 344.503 2.058 10 0 EEAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1(C)C ZINC001452126580 1098235698 /nfs/dbraw/zinc/23/56/98/1098235698.db2.gz HFHHTYBLDPFDMM-OWSLCNJRSA-N 2 0 329.488 2.177 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1c(C)noc1C ZINC001443976135 1098493925 /nfs/dbraw/zinc/49/39/25/1098493925.db2.gz ZGICGEQDETVBRI-HNNXBMFYSA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cnc(C)s1 ZINC001443979217 1098496374 /nfs/dbraw/zinc/49/63/74/1098496374.db2.gz XNGYZRLHNUKOMD-AEGPPILISA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC[C@H]1CCCCO1 ZINC001444011714 1098528388 /nfs/dbraw/zinc/52/83/88/1098528388.db2.gz WHKCGKADHQCEBY-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CC[NH2+]Cc1cscn1 ZINC001479520853 1098587118 /nfs/dbraw/zinc/58/71/18/1098587118.db2.gz DSWSYKWVTXDNHA-XJKSGUPXSA-N 2 0 347.488 2.216 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC=C(C)C ZINC001479616310 1098641309 /nfs/dbraw/zinc/64/13/09/1098641309.db2.gz CLSYGFGRPZIGAH-RDGPPVDQSA-N 2 0 333.520 2.463 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+][C@@H](C)c2ncccn2)C1 ZINC001444159677 1098707608 /nfs/dbraw/zinc/70/76/08/1098707608.db2.gz NEEFFCDYNYJCAV-DLBZAZTESA-N 2 0 347.507 2.096 10 0 EEAERP CO[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001444213289 1098772984 /nfs/dbraw/zinc/77/29/84/1098772984.db2.gz VZAVQJWFMANKMY-INIZCTEOSA-N 2 0 347.503 2.302 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001444232298 1098794991 /nfs/dbraw/zinc/79/49/91/1098794991.db2.gz GELQSMLGXSEREI-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[C@@H](C[N@H+](C)CCCNC(=O)c2ccc(C[NH+](C)C)cc2)O1 ZINC001479802616 1099033916 /nfs/dbraw/zinc/03/39/16/1099033916.db2.gz USGUMMHEXLJVOV-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1ncsc1C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001479866014 1099192673 /nfs/dbraw/zinc/19/26/73/1099192673.db2.gz BMTNYHVFYAYCBW-HNNXBMFYSA-N 2 0 336.505 2.016 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001444509065 1099247693 /nfs/dbraw/zinc/24/76/93/1099247693.db2.gz LBRDEYWFWUPDAN-HRCADAONSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cccnc1C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001479987669 1099448239 /nfs/dbraw/zinc/44/82/39/1099448239.db2.gz GNENGKIORJCGIT-GOSISDBHSA-N 2 0 344.503 2.201 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001444637421 1099464781 /nfs/dbraw/zinc/46/47/81/1099464781.db2.gz QILOVEFRMNCJRH-ZIAGYGMSSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC2CC3(CCC3)C2)C2CC2)CC[N@@H+]1C ZINC001480022470 1099502492 /nfs/dbraw/zinc/50/24/92/1099502492.db2.gz XTJBJFBMYAZTRD-OLMNPRSZSA-N 2 0 333.520 2.391 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]Cc1ccns1)C1CC1 ZINC001480026224 1099511025 /nfs/dbraw/zinc/51/10/25/1099511025.db2.gz CSWKKDQNZKLAJS-HOCLYGCPSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)on1 ZINC001444691906 1099543316 /nfs/dbraw/zinc/54/33/16/1099543316.db2.gz JLQBZDIWZWFYCR-WBVHZDCISA-N 2 0 336.480 2.182 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC001480045270 1099548805 /nfs/dbraw/zinc/54/88/05/1099548805.db2.gz VDFJEUFDPCOVJS-CYBMUJFWSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001480064564 1099595060 /nfs/dbraw/zinc/59/50/60/1099595060.db2.gz BTWISPOCSSNANR-AEFFLSMTSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ncccc1C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480087761 1099645184 /nfs/dbraw/zinc/64/51/84/1099645184.db2.gz QIZHAXINYRQZTG-GOSISDBHSA-N 2 0 346.519 2.401 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001480158691 1099731323 /nfs/dbraw/zinc/73/13/23/1099731323.db2.gz XRCCWWZKOLJAJO-WBAXXEDZSA-N 2 0 335.467 2.389 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)C1)[NH+](C)C ZINC001480233498 1099861436 /nfs/dbraw/zinc/86/14/36/1099861436.db2.gz DCAZRDKNUXFKTK-KSZLIROESA-N 2 0 339.524 2.016 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001480462011 1100266657 /nfs/dbraw/zinc/26/66/57/1100266657.db2.gz DWMIDSDQIJEXFE-VQIMIIECSA-N 2 0 329.488 2.240 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@H]1CCCCO1 ZINC001445082638 1100295406 /nfs/dbraw/zinc/29/54/06/1100295406.db2.gz FVEKDRMWXPTRRX-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)C[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CCCC1 ZINC001446505432 1100954455 /nfs/dbraw/zinc/95/44/55/1100954455.db2.gz YSTPCTULJDKUNO-GOSISDBHSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H](C)c1ncccn1 ZINC001496428460 1101020125 /nfs/dbraw/zinc/02/01/25/1101020125.db2.gz OTRMCBBZDPLHEB-DLBZAZTESA-N 2 0 347.507 2.239 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCc2ccccc2F)C1 ZINC001446558106 1101036888 /nfs/dbraw/zinc/03/68/88/1101036888.db2.gz ZSPHHHIJYIUIAL-IBGZPJMESA-N 2 0 335.467 2.289 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CCC[NH+](C)C)o1 ZINC001496476688 1101067564 /nfs/dbraw/zinc/06/75/64/1101067564.db2.gz BXVODGRCNYHRMR-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496477699 1101068798 /nfs/dbraw/zinc/06/87/98/1101068798.db2.gz AJHYCMGEAFYTEW-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001496486613 1101077932 /nfs/dbraw/zinc/07/79/32/1101077932.db2.gz JICFHVDWRNRBQA-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001495374744 1101091346 /nfs/dbraw/zinc/09/13/46/1101091346.db2.gz WSULVGJODFOAER-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001495380575 1101100339 /nfs/dbraw/zinc/10/03/39/1101100339.db2.gz QEZBDQUGQZHSPN-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H](CC[NH2+]Cc3ccon3)C2)CC1 ZINC001495391152 1101111024 /nfs/dbraw/zinc/11/10/24/1101111024.db2.gz NBNGGSKVKUPUMZ-KRWDZBQOSA-N 2 0 348.491 2.125 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001495481146 1101190899 /nfs/dbraw/zinc/19/08/99/1101190899.db2.gz FPRJBNUPCPKJEV-IYARVYRRSA-N 2 0 332.492 2.247 10 0 EEAERP COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496625764 1101228743 /nfs/dbraw/zinc/22/87/43/1101228743.db2.gz CBCFQDDYOXRRPH-HKUYNNGSSA-N 2 0 347.503 2.267 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCCN(Cc2nccs2)C1 ZINC001446699467 1101265678 /nfs/dbraw/zinc/26/56/78/1101265678.db2.gz ZWTFOQNZIYMCII-QGZVFWFLSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001495559674 1101271623 /nfs/dbraw/zinc/27/16/23/1101271623.db2.gz AKXXOQYJGKGXRE-BFYDXBDKSA-N 2 0 335.517 2.211 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1cccc(Cl)n1 ZINC001495682364 1101429915 /nfs/dbraw/zinc/42/99/15/1101429915.db2.gz DUHOHCOJJJTLIT-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001495813552 1101632010 /nfs/dbraw/zinc/63/20/10/1101632010.db2.gz NCFYSMNWQWCKOE-ZDUSSCGKSA-N 2 0 327.419 2.147 10 0 EEAERP Cc1nocc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001446959342 1101661980 /nfs/dbraw/zinc/66/19/80/1101661980.db2.gz UUDYHJVVXMGBIQ-VBUUOAMHSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]21 ZINC001447041734 1101831613 /nfs/dbraw/zinc/83/16/13/1101831613.db2.gz FGQDUNTVILWHNJ-JKSUJKDBSA-N 2 0 343.462 2.295 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)cn1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496095581 1102048688 /nfs/dbraw/zinc/04/86/88/1102048688.db2.gz FNBRDTQRFODORN-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccn(C)n1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497220015 1102146096 /nfs/dbraw/zinc/14/60/96/1102146096.db2.gz GUAJTHVHRSZRBX-HNNXBMFYSA-N 2 0 349.523 2.058 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C1CC[NH+](C)CC1 ZINC001497264414 1102218887 /nfs/dbraw/zinc/21/88/87/1102218887.db2.gz RZOYLUZLVXIFPU-CQSZACIVSA-N 2 0 344.459 2.154 10 0 EEAERP CCN(CCNCc1ccn(C(C)C)n1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001497500828 1102588304 /nfs/dbraw/zinc/58/83/04/1102588304.db2.gz LJPXWWNXEKGLCY-CALCHBBNSA-N 2 0 349.523 2.275 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001497585010 1102700896 /nfs/dbraw/zinc/70/08/96/1102700896.db2.gz FAURPLUPSVYYNY-MIGHCRNESA-N 2 0 327.472 2.351 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1 ZINC001497614979 1102754148 /nfs/dbraw/zinc/75/41/48/1102754148.db2.gz LQSNSWLYJSLCJW-REMYHPOOSA-N 2 0 337.414 2.211 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001497620876 1102761546 /nfs/dbraw/zinc/76/15/46/1102761546.db2.gz MIOPXKFNTZVOMM-QGZUEGPWSA-N 2 0 343.462 2.414 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1OC1CC1 ZINC001497651013 1102825394 /nfs/dbraw/zinc/82/53/94/1102825394.db2.gz UEBBSEZWCVWFIF-PYTPGESOSA-N 2 0 343.471 2.084 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)cc1 ZINC001497762182 1103049827 /nfs/dbraw/zinc/04/98/27/1103049827.db2.gz GBLJFJSIZCOXJY-SFFCAUCYSA-N 2 0 345.487 2.332 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCCCF ZINC001493919100 1103116991 /nfs/dbraw/zinc/11/69/91/1103116991.db2.gz JLQKXESMAAZWRF-BBWFWOEESA-N 2 0 325.472 2.286 10 0 EEAERP CC[N@H+](CCOC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001447737845 1103204472 /nfs/dbraw/zinc/20/44/72/1103204472.db2.gz PAMSXOQXUJDNKF-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH]cn2)s1 ZINC001447851914 1103446563 /nfs/dbraw/zinc/44/65/63/1103446563.db2.gz FDMQRGGVIAERRF-GHMZBOCLSA-N 2 0 335.477 2.099 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447930503 1103626672 /nfs/dbraw/zinc/62/66/72/1103626672.db2.gz JGVNWCLYAVMEBZ-HZPDHXFCSA-N 2 0 331.504 2.498 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1cc(F)cc(F)c1 ZINC001448137222 1104083666 /nfs/dbraw/zinc/08/36/66/1104083666.db2.gz SRIVYYSOPPTDHU-ZIAGYGMSSA-N 2 0 339.430 2.243 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001494909309 1104542709 /nfs/dbraw/zinc/54/27/09/1104542709.db2.gz FWFADPSLGDUQTE-AEFFLSMTSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001494981001 1104622682 /nfs/dbraw/zinc/62/26/82/1104622682.db2.gz JRNLLHPJKFLQAO-HHXXYDBFSA-N 2 0 346.519 2.077 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC001494985976 1104629378 /nfs/dbraw/zinc/62/93/78/1104629378.db2.gz CMJHSIWIOIVGNI-CABCVRRESA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495068180 1104707384 /nfs/dbraw/zinc/70/73/84/1104707384.db2.gz AIWNERZENSQTOE-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498021280 1106793353 /nfs/dbraw/zinc/79/33/53/1106793353.db2.gz GRJHMOMFVBCNOP-NHYWBVRUSA-N 2 0 327.831 2.168 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001480700040 1106909542 /nfs/dbraw/zinc/90/95/42/1106909542.db2.gz CMLXDVUBFZBOMY-GJZGRUSLSA-N 2 0 336.480 2.267 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC001480701995 1106916372 /nfs/dbraw/zinc/91/63/72/1106916372.db2.gz ONQFGNBFAAEAFK-IRXDYDNUSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001498118591 1106944009 /nfs/dbraw/zinc/94/40/09/1106944009.db2.gz SUCROEOWXSUUGE-CVEARBPZSA-N 2 0 340.471 2.171 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccon1 ZINC001480822981 1107193205 /nfs/dbraw/zinc/19/32/05/1107193205.db2.gz DRGPRYIMSKLIMJ-ROUUACIJSA-N 2 0 348.491 2.410 10 0 EEAERP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001493162802 1107621516 /nfs/dbraw/zinc/62/15/16/1107621516.db2.gz QMHXFWWWFSYRRT-AEFFLSMTSA-N 2 0 345.487 2.433 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001493266148 1107811710 /nfs/dbraw/zinc/81/17/10/1107811710.db2.gz CHQUHFCRWHNKIX-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001493552198 1108302343 /nfs/dbraw/zinc/30/23/43/1108302343.db2.gz ZIJYKSSCKGQEAE-QLFBSQMISA-N 2 0 331.451 2.200 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001493769617 1108644218 /nfs/dbraw/zinc/64/42/18/1108644218.db2.gz PGWDNELZGPBBEF-MRXNPFEDSA-N 2 0 325.522 2.499 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001467744301 1110462862 /nfs/dbraw/zinc/46/28/62/1110462862.db2.gz APXSVJVMKIASNC-LRVUVFPRSA-N 2 0 349.441 2.496 10 0 EEAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001472447724 1110556487 /nfs/dbraw/zinc/55/64/87/1110556487.db2.gz IGJGHCPSCXMNSB-RTBURBONSA-N 2 0 329.488 2.451 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)c(C)o1 ZINC001499858063 1112517087 /nfs/dbraw/zinc/51/70/87/1112517087.db2.gz QUXKANVVWDIQCI-BBRMVZONSA-N 2 0 336.480 2.101 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001501568143 1113385722 /nfs/dbraw/zinc/38/57/22/1113385722.db2.gz IKOPKPAQOHNNLJ-HZSPNIEDSA-N 2 0 348.318 2.474 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)no2)C1 ZINC001501574575 1113388169 /nfs/dbraw/zinc/38/81/69/1113388169.db2.gz PJDKYUPHNPGGFK-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nocc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001502017823 1113560463 /nfs/dbraw/zinc/56/04/63/1113560463.db2.gz XJJVHHANGHCBTQ-NVXWUHKLSA-N 2 0 348.491 2.232 10 0 EEAERP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001502148088 1113616926 /nfs/dbraw/zinc/61/69/26/1113616926.db2.gz WEYMXPDZABBYMY-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)C[C@H]2CCCCO2)CC[N@@H+]1C ZINC001502367548 1113647731 /nfs/dbraw/zinc/64/77/31/1113647731.db2.gz KRAQPMKLXPCYDV-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CCOc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001505424968 1113958809 /nfs/dbraw/zinc/95/88/09/1113958809.db2.gz YAQWOHWMDPYDGF-HKUYNNGSSA-N 2 0 345.487 2.082 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccon1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001505818302 1114212079 /nfs/dbraw/zinc/21/20/79/1114212079.db2.gz RNAZPPOMIYXJNP-DLBZAZTESA-N 2 0 348.491 2.266 10 0 EEAERP C[C@@H](O)CCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001506519316 1114668969 /nfs/dbraw/zinc/66/89/69/1114668969.db2.gz YTILZWUVTGPAMK-SJORKVTESA-N 2 0 339.524 2.040 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506913941 1114968893 /nfs/dbraw/zinc/96/88/93/1114968893.db2.gz KFHCPKVDJOXPEM-DYVFJYSZSA-N 2 0 334.464 2.021 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001507092328 1115104000 /nfs/dbraw/zinc/10/40/00/1115104000.db2.gz IMGSYIHORNQGGT-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001507095462 1115105792 /nfs/dbraw/zinc/10/57/92/1115105792.db2.gz MTJAFVGVMARJJN-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001507115417 1115116280 /nfs/dbraw/zinc/11/62/80/1115116280.db2.gz ADDPYQCSUWCDDI-IPYPFGDCSA-N 2 0 338.521 2.118 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001507116985 1115116762 /nfs/dbraw/zinc/11/67/62/1115116762.db2.gz WSKHMCTZCHXZDH-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507116687 1115116787 /nfs/dbraw/zinc/11/67/87/1115116787.db2.gz CYBGXOHRJXZOED-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001507118759 1115117736 /nfs/dbraw/zinc/11/77/36/1115117736.db2.gz QDIINWOCXSLVNI-BLLLJJGKSA-N 2 0 339.430 2.340 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)CC[NH+](C)C ZINC001507321506 1115191001 /nfs/dbraw/zinc/19/10/01/1115191001.db2.gz PPXNRKXBBYFRFS-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001507356166 1115218898 /nfs/dbraw/zinc/21/88/98/1115218898.db2.gz OTVQBPOUTWVBIL-SJLPKXTDSA-N 2 0 325.472 2.335 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001507356167 1115219069 /nfs/dbraw/zinc/21/90/69/1115219069.db2.gz OTVQBPOUTWVBIL-WMZOPIPTSA-N 2 0 325.472 2.335 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2cncs2)C(C)(C)C)CC[N@@H+]1C ZINC001507938446 1115377076 /nfs/dbraw/zinc/37/70/76/1115377076.db2.gz JRBGFWGITYNOBQ-BPLDGKMQSA-N 2 0 338.521 2.104 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001540246198 1124078716 /nfs/dbraw/zinc/07/87/16/1124078716.db2.gz HSIGKLHPOQTIDH-LPHOPBHVSA-N 2 0 344.503 2.497 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CCc2ccccc2F)C2CC2)C1 ZINC001568032494 1124240430 /nfs/dbraw/zinc/24/04/30/1124240430.db2.gz RKHVMDYECCUWNW-UZLBHIALSA-N 2 0 347.478 2.194 10 0 EEAERP COc1cccc(C[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001568091654 1124295073 /nfs/dbraw/zinc/29/50/73/1124295073.db2.gz GZAYZDZLDRYAIX-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]C/C=C\Cl)cc2)CC[N@@H+]1C ZINC001568118409 1124311975 /nfs/dbraw/zinc/31/19/75/1124311975.db2.gz RUSWLCKDBYBTJP-SXZVCHKBSA-N 2 0 335.879 2.485 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568274210 1124398787 /nfs/dbraw/zinc/39/87/87/1124398787.db2.gz TUNPINSKLDCJSE-YJBOKZPZSA-N 2 0 347.478 2.147 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001568401408 1124471435 /nfs/dbraw/zinc/47/14/35/1124471435.db2.gz URPVYTMJNFBNHB-IBGZPJMESA-N 2 0 344.503 2.347 10 0 EEAERP CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001568424941 1124492195 /nfs/dbraw/zinc/49/21/95/1124492195.db2.gz WTHZSURAROIGHD-WMZOPIPTSA-N 2 0 349.523 2.075 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1 ZINC001568651531 1124662522 /nfs/dbraw/zinc/66/25/22/1124662522.db2.gz SISJNFFJIYCPGR-WMZOPIPTSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001568651752 1124663251 /nfs/dbraw/zinc/66/32/51/1124663251.db2.gz WUQGPPVORZDGAF-CYBMUJFWSA-N 2 0 341.415 2.237 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)CC[NH+](C)C ZINC001568672079 1124686170 /nfs/dbraw/zinc/68/61/70/1124686170.db2.gz FTQRDNKEBGTUFZ-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP Cc1ccc(OCC[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001568674303 1124687789 /nfs/dbraw/zinc/68/77/89/1124687789.db2.gz KDJZRQJTPXEIGL-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001568872967 1124898559 /nfs/dbraw/zinc/89/85/59/1124898559.db2.gz CTKLHDPVQQPBMU-SFFCAUCYSA-N 2 0 329.488 2.495 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569022183 1125047187 /nfs/dbraw/zinc/04/71/87/1125047187.db2.gz ALFFCIKLRMWBDS-QZTJIDSGSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569213568 1125170055 /nfs/dbraw/zinc/17/00/55/1125170055.db2.gz FILQZWUNDYRCET-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422951685 240305369 /nfs/dbraw/zinc/30/53/69/240305369.db2.gz ZSVOZYCHFXSOEA-QFBILLFUSA-N 2 0 325.456 2.374 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCCC1 ZINC000426704829 241327846 /nfs/dbraw/zinc/32/78/46/241327846.db2.gz SSZRWCAROMJSLU-QGZVFWFLSA-N 2 0 327.538 2.052 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000447821712 242322585 /nfs/dbraw/zinc/32/25/85/242322585.db2.gz MATWXEUIGCWHCH-HOTGVXAUSA-N 2 0 343.471 2.240 10 0 EEAERP Cc1ccoc1-c1nnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000069778674 203049673 /nfs/dbraw/zinc/04/96/73/203049673.db2.gz NPBGXJPGCAXYOW-CQSZACIVSA-N 2 0 348.447 2.163 10 0 EEAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000246498890 205204203 /nfs/dbraw/zinc/20/42/03/205204203.db2.gz PTEYJPBVCXFKKA-SCIMBWJRSA-N 2 0 327.472 2.426 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247022223 256015365 /nfs/dbraw/zinc/01/53/65/256015365.db2.gz GDONMNJXKAZJJD-XMTFNYHQSA-N 2 0 336.524 2.233 10 0 EEAERP CS[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1[NH+](C)C ZINC000270499578 256141674 /nfs/dbraw/zinc/14/16/74/256141674.db2.gz PLXCGZVCQHOUAR-QZTJIDSGSA-N 2 0 347.528 2.400 10 0 EEAERP COc1cccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000191216601 152243240 /nfs/dbraw/zinc/24/32/40/152243240.db2.gz LVMUQFCNDBOHOG-UHFFFAOYSA-N 2 0 332.492 2.130 10 0 EEAERP C[C@@H]1C[NH+](CCOc2ccc(CCNC3=[NH+]CCCN3)cc2)C[C@H]1C ZINC000263134066 152383384 /nfs/dbraw/zinc/38/33/84/152383384.db2.gz HMAGFOWXPNUKHN-IAGOWNOFSA-N 2 0 344.503 2.135 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000091986021 159212250 /nfs/dbraw/zinc/21/22/50/159212250.db2.gz UBCPSWLXKOSDGX-QGZVFWFLSA-N 2 0 347.503 2.460 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000105198051 159298453 /nfs/dbraw/zinc/29/84/53/159298453.db2.gz GGOJZMRNJQFNDW-RTBURBONSA-N 2 0 344.503 2.477 10 0 EEAERP C[N@H+]1C[C@@H]2C[NH+](CCCCCn3nnc(-c4ccccc4)n3)C[C@@H]2C1 ZINC000193615931 160183771 /nfs/dbraw/zinc/18/37/71/160183771.db2.gz HNIYFQHFVQXJTK-HDICACEKSA-N 2 0 340.475 2.004 10 0 EEAERP COC[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000151947130 274044355 /nfs/dbraw/zinc/04/43/55/274044355.db2.gz CAUGQRDSOHACCP-WOJBJXKFSA-N 2 0 332.488 2.447 10 0 EEAERP CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000162000975 276021084 /nfs/dbraw/zinc/02/10/84/276021084.db2.gz WDZMYMXSXQDRHS-OALUTQOASA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423102269 278334691 /nfs/dbraw/zinc/33/46/91/278334691.db2.gz DTGZCCVDUQGXRO-DOMZBBRYSA-N 2 0 338.883 2.393 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271189 289311646 /nfs/dbraw/zinc/31/16/46/289311646.db2.gz BIJGGXVLPACJTF-RTBURBONSA-N 2 0 344.503 2.243 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1F ZINC000293037260 293108371 /nfs/dbraw/zinc/10/83/71/293108371.db2.gz PULWICJPQJNQKI-IBGZPJMESA-N 2 0 348.466 2.125 10 0 EEAERP CO[C@@H](Cc1ccccc1)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000297386509 294230367 /nfs/dbraw/zinc/23/03/67/294230367.db2.gz DUMIFMWDSCIDNC-SFTDATJTSA-N 2 0 345.531 2.346 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297885049 294365209 /nfs/dbraw/zinc/36/52/09/294365209.db2.gz RHCLGCWJCZYDII-GOSISDBHSA-N 2 0 349.438 2.408 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416882494 313347359 /nfs/dbraw/zinc/34/73/59/313347359.db2.gz ABFFRNQGZZVAHC-VQIMIIECSA-N 2 0 344.503 2.470 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000416893937 313352249 /nfs/dbraw/zinc/35/22/49/313352249.db2.gz YJOLSPABQGPCFU-OALUTQOASA-N 2 0 344.503 2.422 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCC1 ZINC000416965466 313374158 /nfs/dbraw/zinc/37/41/58/313374158.db2.gz XPKYOZVAPXYVHY-GJZGRUSLSA-N 2 0 346.466 2.183 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416970565 313376703 /nfs/dbraw/zinc/37/67/03/313376703.db2.gz FFRGVUSKLPKDEV-HZPDHXFCSA-N 2 0 332.492 2.453 10 0 EEAERP CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417007748 313392426 /nfs/dbraw/zinc/39/24/26/313392426.db2.gz HQGYPVCQWRFHCA-WFFDWFOESA-N 2 0 336.524 2.421 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000417010101 313392791 /nfs/dbraw/zinc/39/27/91/313392791.db2.gz OPCIXKPUKJNRJS-NZSAHSFTSA-N 2 0 346.519 2.237 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000418160662 313730112 /nfs/dbraw/zinc/73/01/12/313730112.db2.gz BJWUWVFLNOGTKT-DKKFBQAASA-N 2 0 344.503 2.380 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422185248 314198510 /nfs/dbraw/zinc/19/85/10/314198510.db2.gz YNBYXPPHSLZSJU-XBMUEBEBSA-N 2 0 346.519 2.331 10 0 EEAERP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000525991467 317102099 /nfs/dbraw/zinc/10/20/99/317102099.db2.gz OJVRCWSMDOVHCI-KMFMINBZSA-N 2 0 330.476 2.381 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)nc2)[C@@H](C)C1 ZINC000527988982 317299513 /nfs/dbraw/zinc/29/95/13/317299513.db2.gz WLCCWGWEDSOHPB-WMZOPIPTSA-N 2 0 335.492 2.359 10 0 EEAERP CN(CCC(=O)N1CCC(CCC[NH+](C)C)CC1)c1cc[nH+]cc1 ZINC000541857414 318112695 /nfs/dbraw/zinc/11/26/95/318112695.db2.gz QNWLNXXPPDPZQS-UHFFFAOYSA-N 2 0 332.492 2.488 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641102 318164862 /nfs/dbraw/zinc/16/48/62/318164862.db2.gz YCFLOCGGVSEEJW-WMZOPIPTSA-N 2 0 332.492 2.415 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000564936057 319130484 /nfs/dbraw/zinc/13/04/84/319130484.db2.gz GZGDCAKKWMWGLW-GXOAENINSA-N 2 0 344.503 2.375 10 0 EEAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565533934 319191250 /nfs/dbraw/zinc/19/12/50/319191250.db2.gz PUHAZQIMBAVNJH-ICSRJNTNSA-N 2 0 340.471 2.425 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000576815026 320206144 /nfs/dbraw/zinc/20/61/44/320206144.db2.gz VVRJPFYLTMFIBL-XYPHTWIQSA-N 2 0 343.450 2.377 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000576966209 320221252 /nfs/dbraw/zinc/22/12/52/320221252.db2.gz OBDKOAAIOOYDCY-KRWDZBQOSA-N 2 0 336.524 2.411 10 0 EEAERP COc1ccccc1COC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000576979509 320222001 /nfs/dbraw/zinc/22/20/01/320222001.db2.gz FBINXZALQPDAPE-IPQPSQTFSA-N 2 0 348.487 2.178 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[NH2+][C@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000580645126 324103222 /nfs/dbraw/zinc/10/32/22/324103222.db2.gz WVNGIQWUTCFNDZ-JGNHQEBTSA-N 2 0 343.471 2.087 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC3(C2)CCOC3)CC1 ZINC000354773990 465146196 /nfs/dbraw/zinc/14/61/96/465146196.db2.gz QZVGUBKOEGZHFC-UHFFFAOYSA-N 2 0 329.488 2.441 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cn1 ZINC000339253644 465169416 /nfs/dbraw/zinc/16/94/16/465169416.db2.gz FCTXNWGHLIQHDG-UHFFFAOYSA-N 2 0 326.444 2.005 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000341454778 465176698 /nfs/dbraw/zinc/17/66/98/465176698.db2.gz CSZXXXNTSRKJKS-KZNAEPCWSA-N 2 0 334.508 2.273 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@H+](C)C1CC1 ZINC000115821923 462731087 /nfs/dbraw/zinc/73/10/87/462731087.db2.gz YDUKLZXOUMVWLB-ZDUSSCGKSA-N 2 0 336.455 2.169 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000154145545 462734734 /nfs/dbraw/zinc/73/47/34/462734734.db2.gz FIOMWVPDUVEKQC-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065517992 462786779 /nfs/dbraw/zinc/78/67/79/462786779.db2.gz LQARLLNZXDTHCK-RTBURBONSA-N 2 0 344.503 2.292 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000157766183 463166858 /nfs/dbraw/zinc/16/68/58/463166858.db2.gz YQRLBBLMXVMGAT-QGZVFWFLSA-N 2 0 326.529 2.384 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553162995 468351750 /nfs/dbraw/zinc/35/17/50/468351750.db2.gz BRLGXMGQEBXWPI-IEBWSBKVSA-N 2 0 329.488 2.309 10 0 EEAERP Cn1ccnc1CC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000105876168 463484518 /nfs/dbraw/zinc/48/45/18/463484518.db2.gz JRLBGZQPVLBETO-QGZVFWFLSA-N 2 0 347.434 2.254 10 0 EEAERP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(Cc2nccn2C)CC1)C1CC1 ZINC000105876621 463484803 /nfs/dbraw/zinc/48/48/03/463484803.db2.gz OVICUENTRNDBSV-HNNXBMFYSA-N 2 0 344.503 2.464 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000072961224 463567063 /nfs/dbraw/zinc/56/70/63/463567063.db2.gz VJDVRTSGKYEEGA-PKOBYXMFSA-N 2 0 342.487 2.349 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000073104137 463584346 /nfs/dbraw/zinc/58/43/46/463584346.db2.gz JULUWNGKDRMLPD-QGZVFWFLSA-N 2 0 344.503 2.453 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170834306 463719070 /nfs/dbraw/zinc/71/90/70/463719070.db2.gz DJGLNTBPSDQCRT-LJQANCHMSA-N 2 0 344.503 2.244 10 0 EEAERP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268835313 463791369 /nfs/dbraw/zinc/79/13/69/463791369.db2.gz LNQHWVAZKCJDMJ-HLAWJBBLSA-N 3 0 345.531 2.476 10 0 EEAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262176267 463965379 /nfs/dbraw/zinc/96/53/79/463965379.db2.gz VWXMFLYASNKHLY-DNVCBOLYSA-N 2 0 332.394 2.267 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000178869369 463997550 /nfs/dbraw/zinc/99/75/50/463997550.db2.gz GOYQFSWHWFJLHU-QINHECLXSA-N 2 0 347.478 2.303 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000186435181 463999778 /nfs/dbraw/zinc/99/97/78/463999778.db2.gz FZIXYFXRADVHFR-FUHWJXTLSA-N 2 0 332.492 2.243 10 0 EEAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000263917105 464238070 /nfs/dbraw/zinc/23/80/70/464238070.db2.gz NDYWUKULDWRREM-LJQANCHMSA-N 2 0 329.488 2.451 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237184682 464280062 /nfs/dbraw/zinc/28/00/62/464280062.db2.gz JJTPERBUTKXXPI-UHFFFAOYSA-N 2 0 345.487 2.231 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1C ZINC000174203689 464376771 /nfs/dbraw/zinc/37/67/71/464376771.db2.gz LEHCHTLWYVOIAR-NZSAHSFTSA-N 2 0 346.519 2.283 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000245391474 464473245 /nfs/dbraw/zinc/47/32/45/464473245.db2.gz QFXISJVHZNEAMU-RBUKOAKNSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000264862383 464494859 /nfs/dbraw/zinc/49/48/59/464494859.db2.gz FDHGVDHLINAOTD-UHFFFAOYSA-N 2 0 347.503 2.431 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000281589558 464514624 /nfs/dbraw/zinc/51/46/24/464514624.db2.gz XERDCVKSRQFRLS-STQMWFEESA-N 2 0 333.407 2.274 10 0 EEAERP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272384250 464587403 /nfs/dbraw/zinc/58/74/03/464587403.db2.gz FTLBBOSXKROZDM-MXEMCNAFSA-N 2 0 342.531 2.017 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000266836595 464840231 /nfs/dbraw/zinc/84/02/31/464840231.db2.gz NKKQODBOAZBBJE-BWTSREIZSA-N 2 0 342.487 2.146 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000298239486 465340704 /nfs/dbraw/zinc/34/07/04/465340704.db2.gz CCEJNYCAGBDUJA-UHFFFAOYSA-N 2 0 339.443 2.002 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092217 465759295 /nfs/dbraw/zinc/75/92/95/465759295.db2.gz BLVCSAAQRSTVSP-BGTYHANMSA-N 2 0 330.476 2.214 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303053550 466221206 /nfs/dbraw/zinc/22/12/06/466221206.db2.gz YQBIWRWIQPKBPB-YYIAUSFCSA-N 2 0 326.529 2.382 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000357843402 466257755 /nfs/dbraw/zinc/25/77/55/466257755.db2.gz BZPSKXOWHLEGMS-YEWWUXTCSA-N 2 0 326.431 2.436 10 0 EEAERP C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCSC[C@@H]2C)CC1 ZINC000349873455 466286680 /nfs/dbraw/zinc/28/66/80/466286680.db2.gz CMRCVGUQAKJMDN-DLBZAZTESA-N 2 0 347.528 2.329 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000363564930 466481966 /nfs/dbraw/zinc/48/19/66/466481966.db2.gz ZKAHHNHDIILROJ-SFHVURJKSA-N 2 0 334.508 2.154 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@H]21 ZINC000354360247 466504796 /nfs/dbraw/zinc/50/47/96/466504796.db2.gz BJRSKXJRQXWXAP-WOJBJXKFSA-N 2 0 341.499 2.378 10 0 EEAERP COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000341008441 466508446 /nfs/dbraw/zinc/50/84/46/466508446.db2.gz ACHKIDVVHBGBGV-HNNXBMFYSA-N 2 0 345.487 2.397 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310100029 466511001 /nfs/dbraw/zinc/51/10/01/466511001.db2.gz BBNNKFPTSVRVGE-FUMNGEBKSA-N 3 0 331.504 2.241 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000358188003 466526384 /nfs/dbraw/zinc/52/63/84/466526384.db2.gz LBJYDTXKNQKAHC-UHFFFAOYSA-N 2 0 334.508 2.345 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000358196241 466531463 /nfs/dbraw/zinc/53/14/63/466531463.db2.gz URZCJWKEGFUKJP-SFHVURJKSA-N 2 0 336.524 2.448 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000358200181 466535329 /nfs/dbraw/zinc/53/53/29/466535329.db2.gz ZACHKFRADHFQQL-KZNAEPCWSA-N 2 0 336.524 2.304 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000368715954 466695671 /nfs/dbraw/zinc/69/56/71/466695671.db2.gz QIOQCAJPPPRWNN-MSOLQXFVSA-N 2 0 348.466 2.307 10 0 EEAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nc2ccccc2n1C ZINC000423501855 466759388 /nfs/dbraw/zinc/75/93/88/466759388.db2.gz DERDSCSRNKZCOI-KLAILNCOSA-N 2 0 341.503 2.440 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417042147 466762523 /nfs/dbraw/zinc/76/25/23/466762523.db2.gz WUKXHIKBGDBRTM-JFIYKMOQSA-N 2 0 332.492 2.354 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000417392244 466848615 /nfs/dbraw/zinc/84/86/15/466848615.db2.gz BDYDXSKGROVDHD-MRXNPFEDSA-N 2 0 332.492 2.327 10 0 EEAERP C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000417743110 466923037 /nfs/dbraw/zinc/92/30/37/466923037.db2.gz WQRHDJCFPCTXEH-SQWLQELKSA-N 2 0 336.505 2.134 10 0 EEAERP [NH3+][C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792483 466936222 /nfs/dbraw/zinc/93/62/22/466936222.db2.gz KOAOOJFNTUHWFS-MSOLQXFVSA-N 2 0 330.476 2.250 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000417840636 466952834 /nfs/dbraw/zinc/95/28/34/466952834.db2.gz LJGBKPOYHOWUOM-HDICACEKSA-N 2 0 336.524 2.280 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417987917 467012374 /nfs/dbraw/zinc/01/23/74/467012374.db2.gz JOAAKSQQPDHLJZ-RPLLJCPNSA-N 2 0 346.475 2.008 10 0 EEAERP C[NH2+][C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418050178 467034461 /nfs/dbraw/zinc/03/44/61/467034461.db2.gz ZZJHNOJNGHJYTR-MJGOQNOKSA-N 2 0 330.476 2.044 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418136345 467056244 /nfs/dbraw/zinc/05/62/44/467056244.db2.gz QHJSOSNATLIHJA-BPQIPLTHSA-N 2 0 334.508 2.177 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000418449850 467112627 /nfs/dbraw/zinc/11/26/27/467112627.db2.gz KXNBPOTXTHEUCE-MSOLQXFVSA-N 2 0 326.444 2.466 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418557456 467128761 /nfs/dbraw/zinc/12/87/61/467128761.db2.gz BAKITCCGXOTFSY-KZNAEPCWSA-N 2 0 330.476 2.172 10 0 EEAERP CN(C)c1ncccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431920343 467202571 /nfs/dbraw/zinc/20/25/71/467202571.db2.gz GAKXWCSEGTWZEL-KRWDZBQOSA-N 2 0 326.444 2.457 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378906327 467367016 /nfs/dbraw/zinc/36/70/16/467367016.db2.gz LOEPUUHUEKRCCL-FHWLQOOXSA-N 2 0 329.488 2.390 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000420363380 467378648 /nfs/dbraw/zinc/37/86/48/467378648.db2.gz HYXRDWUBTXMHDX-SFHVURJKSA-N 2 0 335.879 2.422 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)(N2CCOCC2)CC1 ZINC000414205227 467390123 /nfs/dbraw/zinc/39/01/23/467390123.db2.gz XCVWNGWNDRAQRF-RBUKOAKNSA-N 2 0 335.536 2.341 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000414707472 467431146 /nfs/dbraw/zinc/43/11/46/467431146.db2.gz PQJYBWLZFBCDPO-SJLPKXTDSA-N 2 0 333.451 2.030 10 0 EEAERP C[N@H+](C[C@H](O)CNC[C@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000397898073 467444679 /nfs/dbraw/zinc/44/46/79/467444679.db2.gz QYWFSJGZMQVPPB-UXHICEINSA-N 2 0 331.504 2.086 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414943734 467455669 /nfs/dbraw/zinc/45/56/69/467455669.db2.gz OKVNDQCWKJGAOY-HKUYNNGSSA-N 3 0 330.520 2.306 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000515143566 467976005 /nfs/dbraw/zinc/97/60/05/467976005.db2.gz KYLSCDRBRCFMAY-KCITZHQASA-N 2 0 344.503 2.194 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@@H]2CCC[C@H]21 ZINC000515239401 467981705 /nfs/dbraw/zinc/98/17/05/467981705.db2.gz DNCOBCRQDJGZAB-YESZJQIVSA-N 2 0 337.489 2.021 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000531204641 468036037 /nfs/dbraw/zinc/03/60/37/468036037.db2.gz LKWOWJZEAUDEPB-SFHVURJKSA-N 2 0 342.487 2.303 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCC[NH2+]1 ZINC000567647187 468176626 /nfs/dbraw/zinc/17/66/26/468176626.db2.gz YDRSZCDRWSZXFC-WQVCFCJDSA-N 2 0 329.423 2.129 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1=O ZINC000578519348 468210988 /nfs/dbraw/zinc/21/09/88/468210988.db2.gz YIFXZPRJGHMJHD-HXUWFJFHSA-N 2 0 325.456 2.456 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000567821011 468216939 /nfs/dbraw/zinc/21/69/39/468216939.db2.gz TUFYKPJAWQQAQH-LJQANCHMSA-N 2 0 340.471 2.117 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000578743118 468249446 /nfs/dbraw/zinc/24/94/46/468249446.db2.gz GLVUFAAFFDCJKS-QYZOEREBSA-N 2 0 338.455 2.431 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000557481648 468632807 /nfs/dbraw/zinc/63/28/07/468632807.db2.gz PAYIJFHAKOGKMU-SUMWQHHRSA-N 2 0 330.407 2.107 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000595052435 468749388 /nfs/dbraw/zinc/74/93/88/468749388.db2.gz WTHRRLKZJRQJPJ-JKSUJKDBSA-N 2 0 328.497 2.445 10 0 EEAERP CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000571341375 468774169 /nfs/dbraw/zinc/77/41/69/468774169.db2.gz KWBVNOYQNQXIOL-RTBURBONSA-N 2 0 327.472 2.061 10 0 EEAERP CN(CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cc[nH+]cc1 ZINC000572194449 468898014 /nfs/dbraw/zinc/89/80/14/468898014.db2.gz LKKWZUVIDVMZJG-HNNXBMFYSA-N 2 0 332.473 2.389 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572974701 469034531 /nfs/dbraw/zinc/03/45/31/469034531.db2.gz NMAOZNSUMXEMKX-APWZRJJASA-N 2 0 346.475 2.202 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000629529255 469572478 /nfs/dbraw/zinc/57/24/78/469572478.db2.gz WTOOBHVMHQSZIH-AWEZNQCLSA-N 2 0 343.265 2.488 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000629602391 469589277 /nfs/dbraw/zinc/58/92/77/469589277.db2.gz DSHZAQVWYCJFQE-SFTDATJTSA-N 2 0 345.531 2.476 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000629652720 469599208 /nfs/dbraw/zinc/59/92/08/469599208.db2.gz DHNMVGUBJMYFJJ-RBUKOAKNSA-N 2 0 330.520 2.447 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000623493824 469674539 /nfs/dbraw/zinc/67/45/39/469674539.db2.gz SRYQIMYOICTGBN-SZMVWBNQSA-N 2 0 330.476 2.215 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626930680 469758741 /nfs/dbraw/zinc/75/87/41/469758741.db2.gz GKFZAOLUKBXGPS-VQIMIIECSA-N 2 0 344.503 2.399 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626931969 469760062 /nfs/dbraw/zinc/76/00/62/469760062.db2.gz ORWGEIITWTWPFR-MAUKXSAKSA-N 2 0 332.492 2.467 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000626936565 469761930 /nfs/dbraw/zinc/76/19/30/469761930.db2.gz JFXLODPTSHWZFV-IXDOHACOSA-N 2 0 336.524 2.328 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000626957982 469768578 /nfs/dbraw/zinc/76/85/78/469768578.db2.gz IOBKCHNMKVKNHZ-SQWLQELKSA-N 2 0 336.505 2.010 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620195141 469786381 /nfs/dbraw/zinc/78/63/81/469786381.db2.gz ABXHZTPEQFUIGS-GOSISDBHSA-N 2 0 341.499 2.499 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000627033355 469797254 /nfs/dbraw/zinc/79/72/54/469797254.db2.gz HRSVGJKZMZAYJL-OWLYRPNTSA-N 2 0 332.492 2.426 10 0 EEAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500927 469831026 /nfs/dbraw/zinc/83/10/26/469831026.db2.gz ZAJAMQGNVFLVIO-WOJBJXKFSA-N 2 0 333.520 2.286 10 0 EEAERP C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000608648484 469853022 /nfs/dbraw/zinc/85/30/22/469853022.db2.gz VHIFQLHFIVZJNQ-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627241048 469854822 /nfs/dbraw/zinc/85/48/22/469854822.db2.gz AFKADLSZDATBHT-NBOOPKSLSA-N 2 0 330.476 2.041 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000620621774 469876932 /nfs/dbraw/zinc/87/69/32/469876932.db2.gz ULESNVCMZAUEIT-INIZCTEOSA-N 2 0 341.565 2.441 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624574852 469980243 /nfs/dbraw/zinc/98/02/43/469980243.db2.gz ACFLUDATNWKLQJ-QSJFSLAZSA-N 2 0 332.492 2.237 10 0 EEAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631840768 470186810 /nfs/dbraw/zinc/18/68/10/470186810.db2.gz VJTSRAQIZXGCIO-VXGBXAGGSA-N 2 0 340.265 2.304 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638836628 470300709 /nfs/dbraw/zinc/30/07/09/470300709.db2.gz UOPWOWJYGZPLRG-NZSAHSFTSA-N 2 0 329.488 2.403 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000646917631 470776468 /nfs/dbraw/zinc/77/64/68/470776468.db2.gz CJMCQNOTHOYPEJ-FHWLQOOXSA-N 2 0 327.472 2.061 10 0 EEAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000650718425 470949622 /nfs/dbraw/zinc/94/96/22/470949622.db2.gz MBNUZAMAPLOPEE-UHFFFAOYSA-N 2 0 341.455 2.163 10 0 EEAERP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)OCO2 ZINC000650723883 470951514 /nfs/dbraw/zinc/95/15/14/470951514.db2.gz VIXKZACLCCNPDA-UXLLHSPISA-N 2 0 348.443 2.285 10 0 EEAERP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000644577849 470986766 /nfs/dbraw/zinc/98/67/66/470986766.db2.gz KETJEEJCRLLSCX-IPQPSQTFSA-N 2 0 346.471 2.234 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000644840514 471062578 /nfs/dbraw/zinc/06/25/78/471062578.db2.gz KQLBLBFWVNIBEV-QUCCMNQESA-N 2 0 329.488 2.297 10 0 EEAERP CC[C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657307046 471093624 /nfs/dbraw/zinc/09/36/24/471093624.db2.gz HPJIAVLBDPHUMY-UXHICEINSA-N 2 0 331.504 2.351 10 0 EEAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000657429528 471134150 /nfs/dbraw/zinc/13/41/50/471134150.db2.gz JKQNTMLIXMKFKL-LJQANCHMSA-N 2 0 340.471 2.076 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000652118556 471238529 /nfs/dbraw/zinc/23/85/29/471238529.db2.gz LAIWGVZCVIKAMF-OAHLLOKOSA-N 2 0 334.464 2.235 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)[NH+](C)C)cc1 ZINC000652119605 471238825 /nfs/dbraw/zinc/23/88/25/471238825.db2.gz NPKPZVSVVBSFQL-QGZVFWFLSA-N 2 0 332.492 2.280 10 0 EEAERP CC1(C)CN(CC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000655009476 471248578 /nfs/dbraw/zinc/24/85/78/471248578.db2.gz FWLVEFHMPIOOKF-FQEVSTJZSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000652182618 471251962 /nfs/dbraw/zinc/25/19/62/471251962.db2.gz USRDCVIVCDXOBG-UHFFFAOYSA-N 2 0 332.492 2.327 10 0 EEAERP [NH3+]CC1(CCNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000652188074 471252848 /nfs/dbraw/zinc/25/28/48/471252848.db2.gz BZOXHEZMQUJKBZ-UHFFFAOYSA-N 2 0 336.524 2.461 10 0 EEAERP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C2 ZINC000658105753 471266491 /nfs/dbraw/zinc/26/64/91/471266491.db2.gz DGAYZNLNKBTKEW-WMZOPIPTSA-N 2 0 333.520 2.414 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000652361513 471280078 /nfs/dbraw/zinc/28/00/78/471280078.db2.gz JJOPQAFSMCBPEG-AYOQOUSVSA-N 2 0 349.519 2.281 10 0 EEAERP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N1 ZINC000658258334 471281382 /nfs/dbraw/zinc/28/13/82/471281382.db2.gz IHKNOIBUQPYEGR-INDMIFKZSA-N 2 0 327.472 2.155 10 0 EEAERP Cc1nc(C)c(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000666285765 471340687 /nfs/dbraw/zinc/34/06/87/471340687.db2.gz DYTRHPUYOVKVDE-NSHDSACASA-N 2 0 327.498 2.153 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC/C=C\C[NH3+] ZINC000669117740 471385973 /nfs/dbraw/zinc/38/59/73/471385973.db2.gz BLNBDTAGAJVVLG-OGZRUICASA-N 2 0 330.476 2.375 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663501696 471400891 /nfs/dbraw/zinc/40/08/91/471400891.db2.gz BIFGPVFFLXCQGW-DZGCQCFKSA-N 2 0 337.464 2.384 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000663503549 471402357 /nfs/dbraw/zinc/40/23/57/471402357.db2.gz PAJBOHMJSVORJY-UHFFFAOYSA-N 2 0 340.471 2.315 10 0 EEAERP CC[NH+]1CCC(CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659035217 471477763 /nfs/dbraw/zinc/47/77/63/471477763.db2.gz VDFDSSDUPYXBNN-SFHVURJKSA-N 2 0 346.475 2.201 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413891 471485002 /nfs/dbraw/zinc/48/50/02/471485002.db2.gz LJANSHUNSCQYIW-LPHOPBHVSA-N 2 0 344.503 2.196 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655806782 471489475 /nfs/dbraw/zinc/48/94/75/471489475.db2.gz BCWXNZNRUTTZCR-SOUVJXGZSA-N 2 0 349.475 2.351 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000656153743 471609088 /nfs/dbraw/zinc/60/90/88/471609088.db2.gz MDWDWKVYQXETCX-QLFBSQMISA-N 2 0 326.868 2.318 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000656153084 471609123 /nfs/dbraw/zinc/60/91/23/471609123.db2.gz NLGQOSASEOILQY-NFBUACBFSA-N 2 0 332.488 2.371 10 0 EEAERP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000666978575 471611089 /nfs/dbraw/zinc/61/10/89/471611089.db2.gz TXZHGPPSGXYPHQ-WWDZGPRUSA-N 2 0 329.488 2.359 10 0 EEAERP [NH3+]C/C=C\CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000667232466 471702663 /nfs/dbraw/zinc/70/26/63/471702663.db2.gz VLKPUWKECVAQHF-IHWYPQMZSA-N 2 0 332.448 2.188 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653867994 471762906 /nfs/dbraw/zinc/76/29/06/471762906.db2.gz MECIHGUNVYMKTL-CYBMUJFWSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000659909106 471788986 /nfs/dbraw/zinc/78/89/86/471788986.db2.gz INQJGPXRCMPMTE-AQNXPRMDSA-N 2 0 336.568 2.066 10 0 EEAERP O[C@]1(C2CC2)CCC[NH+](CCCC[N@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661625254 471830330 /nfs/dbraw/zinc/83/03/30/471830330.db2.gz HUWUKVFLBVKYNU-WOJBJXKFSA-N 2 0 336.520 2.240 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000654343525 471920551 /nfs/dbraw/zinc/92/05/51/471920551.db2.gz FTECQOISERCNGH-NZSAHSFTSA-N 2 0 344.503 2.463 10 0 EEAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000665234859 471975960 /nfs/dbraw/zinc/97/59/60/471975960.db2.gz KZZGTZCMWGHLSR-BZUAXINKSA-N 2 0 328.522 2.102 10 0 EEAERP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(C2CCC2)cnn1C ZINC000668158622 472031917 /nfs/dbraw/zinc/03/19/17/472031917.db2.gz YZACMIISQZEIMT-UHFFFAOYSA-N 2 0 333.524 2.145 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000662660494 472193035 /nfs/dbraw/zinc/19/30/35/472193035.db2.gz FKGZNIRQSQHJSW-HSALFYBXSA-N 2 0 341.499 2.292 10 0 EEAERP Cc1ccc([C@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)[NH+](C)C)cc1 ZINC000662691994 472209813 /nfs/dbraw/zinc/20/98/13/472209813.db2.gz UQULMHZEXUYCBG-AWEZNQCLSA-N 2 0 330.432 2.210 10 0 EEAERP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662771409 472244766 /nfs/dbraw/zinc/24/47/66/472244766.db2.gz HAOCRRTVANBYTD-GUDVDZBRSA-N 2 0 329.488 2.185 10 0 EEAERP CC(C)c1cc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)no1 ZINC000666205178 472345259 /nfs/dbraw/zinc/34/52/59/472345259.db2.gz ROLRBVLFKPADCM-ZDUSSCGKSA-N 2 0 325.457 2.192 10 0 EEAERP Fc1ccc([C@@H]([NH2+][C@H]2CCN(CCN3CCOCC3)C2)C2CC2)cc1 ZINC000678685519 485480154 /nfs/dbraw/zinc/48/01/54/485480154.db2.gz IIPCLZFZPKUDRD-PMACEKPBSA-N 2 0 347.478 2.273 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000673865747 485561820 /nfs/dbraw/zinc/56/18/20/485561820.db2.gz ZDGRCXTURFZCCW-QGZVFWFLSA-N 2 0 340.431 2.359 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674047299 485623540 /nfs/dbraw/zinc/62/35/40/485623540.db2.gz KCDQZDNWADAESV-VQTJNVASSA-N 2 0 333.520 2.143 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1ccc2cnccc2c1)C(=O)NCC[NH+](C)C ZINC000683774124 485636284 /nfs/dbraw/zinc/63/62/84/485636284.db2.gz SVOULLWMNAJVJJ-IBGZPJMESA-N 2 0 342.487 2.417 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000674327307 485696990 /nfs/dbraw/zinc/69/69/90/485696990.db2.gz BVYLQWXRILJGET-NEWSRXKRSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566031 486147483 /nfs/dbraw/zinc/14/74/83/486147483.db2.gz JPRMCMPKVUQFQV-FXAWDEMLSA-N 2 0 331.504 2.038 10 0 EEAERP CCN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211796 486173922 /nfs/dbraw/zinc/17/39/22/486173922.db2.gz ZONBITLQEGVYGY-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP CCn1nncc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000417860582 517887377 /nfs/dbraw/zinc/88/73/77/517887377.db2.gz VLJZKKKXRQNOBS-HZPDHXFCSA-N 2 0 343.475 2.197 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000530728316 518191883 /nfs/dbraw/zinc/19/18/83/518191883.db2.gz ZSHLLCIRQKEDTG-UHFFFAOYSA-N 2 0 344.503 2.407 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422957795 536850841 /nfs/dbraw/zinc/85/08/41/536850841.db2.gz OAOQOPPDRWYKFF-AWEZNQCLSA-N 2 0 338.839 2.276 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000727087578 576404397 /nfs/dbraw/zinc/40/43/97/576404397.db2.gz MMJSGSIYOJKGCN-UHFFFAOYSA-N 2 0 332.477 2.142 10 0 EEAERP CC(C)[C@H]([NH3+])C(C)(C)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000904098307 694289853 /nfs/dbraw/zinc/28/98/53/694289853.db2.gz SZTSKPHUSVFZTJ-HNNXBMFYSA-N 2 0 347.463 2.333 10 0 EEAERP c1ccc(C2(c3nc(CC4CC[NH2+]CC4)no3)CC[NH2+]CC2)cc1 ZINC000905319245 694600930 /nfs/dbraw/zinc/60/09/30/694600930.db2.gz XYQAUHHQVJPUAS-UHFFFAOYSA-N 2 0 326.444 2.281 10 0 EEAERP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001485621607 1191859885 /nfs/dbraw/zinc/85/98/85/1191859885.db2.gz YAFOXKDMXUZRSK-LDLYASANSA-N 2 0 335.536 2.449 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)co1 ZINC001485723032 1191910005 /nfs/dbraw/zinc/91/00/05/1191910005.db2.gz VQPUREABDIGIIK-PBHICJAKSA-N 2 0 336.480 2.230 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC[C@@H]2CCCCO2)CC1 ZINC001485765957 1191940276 /nfs/dbraw/zinc/94/02/76/1191940276.db2.gz STQYNKDDEONKJL-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC001266495798 1176639986 /nfs/dbraw/zinc/63/99/86/1176639986.db2.gz VKNRNSADCSUWLL-HNNXBMFYSA-N 2 0 338.883 2.156 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001266641758 1177041909 /nfs/dbraw/zinc/04/19/09/1177041909.db2.gz OCIHYBRSMMHWII-IYARVYRRSA-N 2 0 330.476 2.085 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1)C1CCC1 ZINC001266690565 1177208044 /nfs/dbraw/zinc/20/80/44/1177208044.db2.gz KYJOCRDEGVORHN-HDICACEKSA-N 2 0 347.478 2.479 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]Cc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001266851848 1177556109 /nfs/dbraw/zinc/55/61/09/1177556109.db2.gz FPPLUIQLWAAHLX-HNNXBMFYSA-N 2 0 336.455 2.033 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001266883003 1177699005 /nfs/dbraw/zinc/69/90/05/1177699005.db2.gz TUXHMJSYLBHGTG-IEBWSBKVSA-N 2 0 347.478 2.433 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001691373792 1177979547 /nfs/dbraw/zinc/97/95/47/1177979547.db2.gz FBEZEYKUOHFXCS-LJQANCHMSA-N 2 0 347.503 2.364 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]C/C=C\c3ccccc3)C2)CC1 ZINC001267054813 1178160727 /nfs/dbraw/zinc/16/07/27/1178160727.db2.gz CSXSMZMHJBEZGI-WMHRWZGDSA-N 2 0 341.499 2.480 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1nccs1 ZINC001267163291 1178365593 /nfs/dbraw/zinc/36/55/93/1178365593.db2.gz QCOCLHBIIITWHS-CABCVRRESA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001267494875 1179174180 /nfs/dbraw/zinc/17/41/80/1179174180.db2.gz FNKRNGHNQORLHN-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP CCN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1c(C)noc1C ZINC001481003609 1179461267 /nfs/dbraw/zinc/46/12/67/1179461267.db2.gz GVVWVDZWXNDNTO-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)sn1 ZINC001481246081 1180436900 /nfs/dbraw/zinc/43/69/00/1180436900.db2.gz PGPDNQRVNORKOJ-GDBMZVCRSA-N 2 0 336.505 2.016 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267819287 1180578148 /nfs/dbraw/zinc/57/81/48/1180578148.db2.gz CHRYSOYCCASYMT-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001267842982 1180622723 /nfs/dbraw/zinc/62/27/23/1180622723.db2.gz DJYNMKCPCSDLOT-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1CCC(CC[NH2+]CCCF)CC1 ZINC001267921116 1180768059 /nfs/dbraw/zinc/76/80/59/1180768059.db2.gz IEHGDVLZXWTDEQ-UHFFFAOYSA-N 2 0 327.488 2.440 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001691488896 1180865855 /nfs/dbraw/zinc/86/58/55/1180865855.db2.gz KAEVKHKUNZHYRW-IHRRRGAJSA-N 2 0 335.414 2.298 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1nc2cc(C)ccc2s1 ZINC001481299311 1180949741 /nfs/dbraw/zinc/94/97/41/1180949741.db2.gz BXJKOLMNNXNPOQ-UHFFFAOYSA-N 2 0 348.516 2.495 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCCc1ccccc1 ZINC001268000809 1180950320 /nfs/dbraw/zinc/95/03/20/1180950320.db2.gz POTFOHIHLMMTEQ-MJGOQNOKSA-N 2 0 331.504 2.445 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481302421 1180963199 /nfs/dbraw/zinc/96/31/99/1180963199.db2.gz LXBPCQQFASDTAK-NVXWUHKLSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001481319498 1181025010 /nfs/dbraw/zinc/02/50/10/1181025010.db2.gz GSUOPHYPEXRECB-UHFFFAOYSA-N 2 0 349.523 2.196 10 0 EEAERP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001481490191 1181554050 /nfs/dbraw/zinc/55/40/50/1181554050.db2.gz DAMMAQCPRKHHRZ-DLBZAZTESA-N 2 0 330.476 2.026 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001268095884 1181738163 /nfs/dbraw/zinc/73/81/63/1181738163.db2.gz XUNQVIBELOTLIO-KRWDZBQOSA-N 2 0 329.488 2.070 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001268155261 1181853230 /nfs/dbraw/zinc/85/32/30/1181853230.db2.gz VDFYSMGAGPZFNV-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268397073 1182473699 /nfs/dbraw/zinc/47/36/99/1182473699.db2.gz MVEXNJRGUGUABE-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268399929 1182490857 /nfs/dbraw/zinc/49/08/57/1182490857.db2.gz NYWZLLLZQMJWTP-SJORKVTESA-N 2 0 346.519 2.079 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001268415843 1182574310 /nfs/dbraw/zinc/57/43/10/1182574310.db2.gz PQSSKVTUMRUFOH-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC[NH2+]Cc2ncccc2C)C1 ZINC001268472958 1182878966 /nfs/dbraw/zinc/87/89/66/1182878966.db2.gz KXMJTDNTFQSXFX-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481933137 1182981321 /nfs/dbraw/zinc/98/13/21/1182981321.db2.gz XQFDRQIMBSZBQE-PKOBYXMFSA-N 2 0 348.491 2.232 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268491556 1182988049 /nfs/dbraw/zinc/98/80/49/1182988049.db2.gz PYZNUNXXAXGCDZ-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1sc(C)nc1C)[NH+](C)C ZINC001268493671 1182995452 /nfs/dbraw/zinc/99/54/52/1182995452.db2.gz YJGGGSNBADLWEB-CQSZACIVSA-N 2 0 326.510 2.038 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001481989223 1183095027 /nfs/dbraw/zinc/09/50/27/1183095027.db2.gz XMUQWWLGFMQHLC-MJGOQNOKSA-N 2 0 346.519 2.386 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2nccs2)CC1 ZINC001482006657 1183128951 /nfs/dbraw/zinc/12/89/51/1183128951.db2.gz FWJCYRXHWOBLKK-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001268557613 1183249331 /nfs/dbraw/zinc/24/93/31/1183249331.db2.gz FPIWDLRWRVSGJZ-NSCUHMNNSA-N 2 0 341.440 2.175 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482113291 1183349698 /nfs/dbraw/zinc/34/96/98/1183349698.db2.gz KXJWNKPLCVKFNM-VQIMIIECSA-N 2 0 346.519 2.079 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc(Cl)cc1)[NH+](C)C ZINC001268662094 1183589551 /nfs/dbraw/zinc/58/95/51/1183589551.db2.gz WQAMMJBBXAVJKK-CJNGLKHVSA-N 2 0 325.884 2.317 10 0 EEAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268793418 1183709576 /nfs/dbraw/zinc/70/95/76/1183709576.db2.gz OGWJZQIAVBPEKL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)c2ccc3c[nH+]cn3c2C)no1 ZINC001268801611 1183718287 /nfs/dbraw/zinc/71/82/87/1183718287.db2.gz CRJZFEWJPUQXPC-UHFFFAOYSA-N 2 0 341.415 2.191 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001268915381 1183823965 /nfs/dbraw/zinc/82/39/65/1183823965.db2.gz MAAXCWIZVSTONW-UHFFFAOYSA-N 2 0 344.503 2.239 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCc1ccccc1F)C1CC1 ZINC001269083580 1183945844 /nfs/dbraw/zinc/94/58/44/1183945844.db2.gz FOWNFQXKFBPAGO-RBUKOAKNSA-N 2 0 347.478 2.337 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269746526 1184586596 /nfs/dbraw/zinc/58/65/96/1184586596.db2.gz DUWIKMZVUKDPHN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001269766449 1184604173 /nfs/dbraw/zinc/60/41/73/1184604173.db2.gz VIRLMXCYPYJDIO-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001270092009 1184840271 /nfs/dbraw/zinc/84/02/71/1184840271.db2.gz UOTOOUDVXZQTSD-SJXOGVDTSA-N 2 0 345.834 2.214 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001270188835 1184907340 /nfs/dbraw/zinc/90/73/40/1184907340.db2.gz SOWVTTMCPNHBBF-UXHICEINSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CC=C(Cl)Cl ZINC001270444607 1185103110 /nfs/dbraw/zinc/10/31/10/1185103110.db2.gz ZNCZSLZLQDRCOB-LBPRGKRZSA-N 2 0 334.291 2.276 10 0 EEAERP CCCCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270779115 1185384322 /nfs/dbraw/zinc/38/43/22/1185384322.db2.gz LLUPNCZZGIPVHG-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CCCC1)C12CC[NH+](CC1)C2 ZINC001270812476 1185411295 /nfs/dbraw/zinc/41/12/95/1185411295.db2.gz KZERAFBCNIFVRW-UHFFFAOYSA-N 2 0 325.472 2.241 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001482459212 1185913375 /nfs/dbraw/zinc/91/33/75/1185913375.db2.gz VOUBIFPOBFLUOC-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccns1 ZINC001482848487 1187767530 /nfs/dbraw/zinc/76/75/30/1187767530.db2.gz OABUSNIAVPLYOZ-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC001482875629 1187795740 /nfs/dbraw/zinc/79/57/40/1187795740.db2.gz WTVOJFPSUMGAOZ-KGLIPLIRSA-N 2 0 338.521 2.032 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(OC)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482933387 1187853326 /nfs/dbraw/zinc/85/33/26/1187853326.db2.gz KPNGGWRHZXHXAC-LJQANCHMSA-N 2 0 347.503 2.160 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482970296 1187910864 /nfs/dbraw/zinc/91/08/64/1187910864.db2.gz RWHILRNPZKHENZ-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@]1(C[NH2+]CCCCCF)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671735145 1193530635 /nfs/dbraw/zinc/53/06/35/1193530635.db2.gz HZHIKHHNFPFUNH-PKOBYXMFSA-N 2 0 339.499 2.296 10 0 EEAERP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001483009599 1187992539 /nfs/dbraw/zinc/99/25/39/1187992539.db2.gz CJGBSDCOKCTVOB-BDUNBXCCSA-N 2 0 331.464 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001671389964 1193543382 /nfs/dbraw/zinc/54/33/82/1193543382.db2.gz NWZROTUDAZRZKD-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001483091895 1188459599 /nfs/dbraw/zinc/45/95/99/1188459599.db2.gz BAQNPISJHKNFOJ-BAXQNQMVSA-N 2 0 345.462 2.417 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001483127208 1188593197 /nfs/dbraw/zinc/59/31/97/1188593197.db2.gz LDLOPKWFLXQOKF-DYVFJYSZSA-N 2 0 339.430 2.432 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001272873048 1193587851 /nfs/dbraw/zinc/58/78/51/1193587851.db2.gz FOJUMDINQPKPOE-WMZOPIPTSA-N 2 0 340.471 2.173 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001409361552 1189576763 /nfs/dbraw/zinc/57/67/63/1189576763.db2.gz JVJOMNCFPVENQP-JKSUJKDBSA-N 2 0 347.503 2.036 10 0 EEAERP Cc1c(C(=O)N(C)C[C@H](C)[NH2+]CCOCC2CC2)ccc2c[nH+]cn21 ZINC001485892249 1193631624 /nfs/dbraw/zinc/63/16/24/1193631624.db2.gz DWHVBIZLXSHWKH-AWEZNQCLSA-N 2 0 344.459 2.119 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccns2)C1 ZINC001485911971 1193637360 /nfs/dbraw/zinc/63/73/60/1193637360.db2.gz LCTHKFKXUUGMSQ-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP Cc1nccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001409483167 1189844802 /nfs/dbraw/zinc/84/48/02/1189844802.db2.gz YZJNGCFXBJMXKM-HOTGVXAUSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409483121 1189845509 /nfs/dbraw/zinc/84/55/09/1189845509.db2.gz YXPBOIIIZMIVIW-UONOGXRCSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001409567543 1190046382 /nfs/dbraw/zinc/04/63/82/1190046382.db2.gz NHEKKFSZKRHRPO-VQIMIIECSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ccc(CCC[N@@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001409651365 1190151113 /nfs/dbraw/zinc/15/11/13/1190151113.db2.gz SGYOHZKXJCWIBK-SFHVURJKSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255785 1190280389 /nfs/dbraw/zinc/28/03/89/1190280389.db2.gz MKBRAOLBAGIHQZ-WMLDXEAASA-N 2 0 337.895 2.461 10 0 EEAERP C[C@@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCn1ccnc1 ZINC001483371901 1190415723 /nfs/dbraw/zinc/41/57/23/1190415723.db2.gz XPXZTXHRTSADDN-YJBOKZPZSA-N 2 0 326.444 2.397 10 0 EEAERP Cc1nc(C)c(CN(C)C[C@H](C)NC(=O)C[C@@H](C)n2ccnc2)o1 ZINC001483392505 1190436835 /nfs/dbraw/zinc/43/68/35/1190436835.db2.gz ZHHYCLLRISYVBA-QWHCGFSZSA-N 2 0 333.436 2.076 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483411082 1190457248 /nfs/dbraw/zinc/45/72/48/1190457248.db2.gz YGDLUPKUIOPDEQ-OAHLLOKOSA-N 2 0 349.906 2.415 10 0 EEAERP Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001483436821 1190480149 /nfs/dbraw/zinc/48/01/49/1190480149.db2.gz KQAATXPCWGGFET-PBHICJAKSA-N 2 0 332.423 2.490 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448885 1190483542 /nfs/dbraw/zinc/48/35/42/1190483542.db2.gz YIVFJFPHKRSBQW-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483469959 1190492012 /nfs/dbraw/zinc/49/20/12/1190492012.db2.gz FKZTXDAISBGRKW-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)COC2)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001483474219 1190495838 /nfs/dbraw/zinc/49/58/38/1190495838.db2.gz HXRYEZRCNZZBDC-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP Cc1cncc(C[NH2+]CC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCCCC2)c1 ZINC001409790441 1190622958 /nfs/dbraw/zinc/62/29/58/1190622958.db2.gz RATMJBWYBUTKJQ-SFHVURJKSA-N 2 0 344.503 2.250 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cnccc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001409831192 1190663699 /nfs/dbraw/zinc/66/36/99/1190663699.db2.gz WQTCEIKTKDVZOI-NZSAHSFTSA-N 2 0 346.519 2.495 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483775105 1191018906 /nfs/dbraw/zinc/01/89/06/1191018906.db2.gz NCXYKWXDPVGFBU-HZPDHXFCSA-N 2 0 325.472 2.382 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCc2ccccc2Cl)CC1 ZINC001483790121 1191031001 /nfs/dbraw/zinc/03/10/01/1191031001.db2.gz BXVWZBRTJKCMSA-UHFFFAOYSA-N 2 0 335.879 2.217 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](C/C=C/Cl)CC2 ZINC001483837265 1191087963 /nfs/dbraw/zinc/08/79/63/1191087963.db2.gz BUABZCXNYOLWGU-XBXARRHUSA-N 2 0 327.900 2.394 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001483974211 1191137760 /nfs/dbraw/zinc/13/77/60/1191137760.db2.gz VOEVJNTVJOXDGK-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC001484463338 1191367764 /nfs/dbraw/zinc/36/77/64/1191367764.db2.gz IVANKHPQSXUEFQ-MOPGFXCFSA-N 2 0 329.488 2.246 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484536602 1191404154 /nfs/dbraw/zinc/40/41/54/1191404154.db2.gz ACTVAUCHNMKENO-CRAIPNDOSA-N 2 0 345.478 2.387 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001484574406 1191423097 /nfs/dbraw/zinc/42/30/97/1191423097.db2.gz BDBUWDROJUKBOT-GERCFGONSA-N 2 0 327.900 2.345 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1)[NH+](C)C ZINC001484618434 1191444110 /nfs/dbraw/zinc/44/41/10/1191444110.db2.gz RCDBEAGPIQDWNE-KURKYZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001484662517 1191462582 /nfs/dbraw/zinc/46/25/82/1191462582.db2.gz JLYSQPKWRYJWPU-UHFFFAOYSA-N 2 0 348.491 2.331 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCCC2)C1)[NH+](CC)CC ZINC001484693222 1191469104 /nfs/dbraw/zinc/46/91/04/1191469104.db2.gz SMLDPFPLBISKSX-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC(F)(F)C2)CC1 ZINC001484728354 1191487193 /nfs/dbraw/zinc/48/71/93/1191487193.db2.gz NARZEFSBZLPWNK-OAHLLOKOSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)C2CC[NH+](C)CC2)sn1 ZINC001484757916 1191511378 /nfs/dbraw/zinc/51/13/78/1191511378.db2.gz XQKBRGDRJULGQW-UHFFFAOYSA-N 2 0 338.521 2.074 10 0 EEAERP COCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484832088 1191545793 /nfs/dbraw/zinc/54/57/93/1191545793.db2.gz RNQFBWIZDYQXSR-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP CC[C@@H](C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1)OC ZINC001484875996 1191559495 /nfs/dbraw/zinc/55/94/95/1191559495.db2.gz MYHWDNURMZUJHK-IBGZPJMESA-N 2 0 345.487 2.139 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC001484927461 1191573729 /nfs/dbraw/zinc/57/37/29/1191573729.db2.gz SICJZROFUNABIK-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001484997106 1191607348 /nfs/dbraw/zinc/60/73/48/1191607348.db2.gz VNSSVKSZVMSMOZ-SQGPQFPESA-N 2 0 343.515 2.370 10 0 EEAERP COc1ccc(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001485155836 1191668237 /nfs/dbraw/zinc/66/82/37/1191668237.db2.gz LGWLDRSRFSTJGM-JKSUJKDBSA-N 2 0 347.503 2.205 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)sc1C ZINC001485186746 1191684798 /nfs/dbraw/zinc/68/47/98/1191684798.db2.gz GZEOKPYPXAFERL-RYUDHWBXSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001485195102 1191688329 /nfs/dbraw/zinc/68/83/29/1191688329.db2.gz RWVULRFURLHZPT-ZIAGYGMSSA-N 2 0 340.537 2.412 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485428470 1191787750 /nfs/dbraw/zinc/78/77/50/1191787750.db2.gz JTPMEPJGYFDOPZ-MOPGFXCFSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ncc(CN2CCCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001485484572 1191800667 /nfs/dbraw/zinc/80/06/67/1191800667.db2.gz IQIQIJAOSAOOCZ-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC[C@H]1CCCO1)CC2 ZINC001486159514 1193705747 /nfs/dbraw/zinc/70/57/47/1193705747.db2.gz IRFNQFMATRAXSC-AOIWGVFYSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001486165243 1193708637 /nfs/dbraw/zinc/70/86/37/1193708637.db2.gz GEWSVVZGEMNAKH-OKZBNKHCSA-N 2 0 333.520 2.489 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCCCC(F)(F)F)C(C)(C)C2)C1 ZINC001486248778 1193775622 /nfs/dbraw/zinc/77/56/22/1193775622.db2.gz GNHINVZSCHIOQD-KBPBESRZSA-N 2 0 349.441 2.497 10 0 EEAERP CC/C=C\CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001486286090 1193791743 /nfs/dbraw/zinc/79/17/43/1193791743.db2.gz SPOPECNQRHAVJY-KEGWNNHHSA-N 2 0 344.459 2.022 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCCCO1)C(C)(C)C ZINC001486425381 1193939754 /nfs/dbraw/zinc/93/97/54/1193939754.db2.gz ZGLKQGDWSUWKSD-HOTGVXAUSA-N 2 0 327.513 2.016 10 0 EEAERP C[C@H](F)CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001486446472 1193961473 /nfs/dbraw/zinc/96/14/73/1193961473.db2.gz MNKIBPIYHMJPCL-GJZGRUSLSA-N 2 0 327.488 2.436 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cscn2)C1 ZINC001272976642 1194284999 /nfs/dbraw/zinc/28/49/99/1194284999.db2.gz FXVBUYMTPCOMCO-CABCVRRESA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@]12CN(C(=O)CC3CC[NH2+]CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702065255 1195713335 /nfs/dbraw/zinc/71/33/35/1195713335.db2.gz NVQQSNFPMRUVAM-PZJWPPBQSA-N 2 0 341.499 2.357 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C)C[C@H]21)[NH+](C)C ZINC001410157813 1197574436 /nfs/dbraw/zinc/57/44/36/1197574436.db2.gz OWUDVQHESASXDS-AKHDSKFASA-N 2 0 329.488 2.129 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cc(C)no1)C1CC1 ZINC001410318522 1197697639 /nfs/dbraw/zinc/69/76/39/1197697639.db2.gz ZVRXRCSJRASIFP-MSOLQXFVSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccccc1Cl ZINC001410350329 1197740736 /nfs/dbraw/zinc/74/07/36/1197740736.db2.gz PULBLFGUPCIVIO-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001410439513 1197901094 /nfs/dbraw/zinc/90/10/94/1197901094.db2.gz RGWYTVKGRPPUEX-WBVHZDCISA-N 2 0 347.503 2.282 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001410501885 1198057094 /nfs/dbraw/zinc/05/70/94/1198057094.db2.gz HZTMHRCGWMGXLD-MAUKXSAKSA-N 2 0 332.492 2.201 10 0 EEAERP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001410505983 1198063315 /nfs/dbraw/zinc/06/33/15/1198063315.db2.gz YAUYSFVPHLBUAQ-INIZCTEOSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872309474 1198140153 /nfs/dbraw/zinc/14/01/53/1198140153.db2.gz XITXCQQZGVJXOU-PXTVJIAFSA-N 2 0 325.456 2.257 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC000865783044 1198374093 /nfs/dbraw/zinc/37/40/93/1198374093.db2.gz FGXVJHGQJXQFBX-SFHVURJKSA-N 2 0 347.503 2.112 10 0 EEAERP c1cc(OCCN2CCOCC2)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865857931 1198405212 /nfs/dbraw/zinc/40/52/12/1198405212.db2.gz WFHYWIRXIFQPIH-UXHICEINSA-N 2 0 346.471 2.199 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ncc(C(F)(F)F)s2)C[C@H]1C[NH+](C)C ZINC000866012323 1198454246 /nfs/dbraw/zinc/45/42/46/1198454246.db2.gz YFDXOXOBYJZUFV-GHMZBOCLSA-N 2 0 336.427 2.338 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410904795 1198562679 /nfs/dbraw/zinc/56/26/79/1198562679.db2.gz LQQLUKDTCDHQSW-ICSRJNTNSA-N 2 0 344.503 2.345 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ocnc3C)[C@@H]2C1 ZINC001410914550 1198569597 /nfs/dbraw/zinc/56/95/97/1198569597.db2.gz GZNMEQDKLUINSE-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001410946241 1198612474 /nfs/dbraw/zinc/61/24/74/1198612474.db2.gz AXQOTPPTXSXENU-SJORKVTESA-N 2 0 348.491 2.234 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001411247476 1198968326 /nfs/dbraw/zinc/96/83/26/1198968326.db2.gz QQQKRILLSIITQT-UHFFFAOYSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810194522 1199348055 /nfs/dbraw/zinc/34/80/55/1199348055.db2.gz DJVYGKGQSKYDLR-VKJFTORMSA-N 2 0 327.488 2.436 10 0 EEAERP CC[NH+](CC)CCN(CCOC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810496039 1199532927 /nfs/dbraw/zinc/53/29/27/1199532927.db2.gz SYZAOMZYMHWQSN-GOSISDBHSA-N 2 0 345.503 2.016 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCc3sccc32)C[C@H]1C[NH+](C)C ZINC000870020242 1200410828 /nfs/dbraw/zinc/41/08/28/1200410828.db2.gz JHDIPVFASWYAMD-BFYDXBDKSA-N 2 0 349.544 2.366 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870021241 1200411653 /nfs/dbraw/zinc/41/16/53/1200411653.db2.gz CTZJNRJSHSNQCU-HZPDHXFCSA-N 2 0 337.895 2.080 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870862369 1200918482 /nfs/dbraw/zinc/91/84/82/1200918482.db2.gz KQGAOSHMJPMTPZ-VCBZYWHSSA-N 2 0 331.460 2.473 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)ccn1 ZINC000866309704 1201490157 /nfs/dbraw/zinc/49/01/57/1201490157.db2.gz ANYRIHQRIZQVIJ-MJGOQNOKSA-N 2 0 333.476 2.459 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000866708463 1201586423 /nfs/dbraw/zinc/58/64/23/1201586423.db2.gz FPMCLSRYZUNQQE-BBWFWOEESA-N 2 0 349.862 2.140 10 0 EEAERP CC(C)CC(=O)N1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000866726376 1201590712 /nfs/dbraw/zinc/59/07/12/1201590712.db2.gz ZNXHRNZXUFZXLF-UHFFFAOYSA-N 2 0 329.488 2.413 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000868006734 1201724971 /nfs/dbraw/zinc/72/49/71/1201724971.db2.gz WVDHGUVIYKBYKP-RBUKOAKNSA-N 2 0 344.503 2.244 10 0 EEAERP CCCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001273995309 1202374229 /nfs/dbraw/zinc/37/42/29/1202374229.db2.gz NCZSHBJYEIXBFN-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP COC(=O)[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000886636412 1202537652 /nfs/dbraw/zinc/53/76/52/1202537652.db2.gz NDXNXQIJLIFJEM-ZWKOTPCHSA-N 2 0 331.460 2.225 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCC(F)(F)F ZINC001691726882 1204226775 /nfs/dbraw/zinc/22/67/75/1204226775.db2.gz DZBPQWYEBIEHOL-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC001274317805 1204995595 /nfs/dbraw/zinc/99/55/95/1204995595.db2.gz GBLZDMIPZUKLEN-ONEGZZNKSA-N 2 0 337.414 2.069 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001274498157 1205057756 /nfs/dbraw/zinc/05/77/56/1205057756.db2.gz GDPVGCRSMKEDAX-ZLKFPQNLSA-N 2 0 344.503 2.272 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274519306 1205065849 /nfs/dbraw/zinc/06/58/49/1205065849.db2.gz PZMJEEBZPIPELJ-LKGOPFMKSA-N 2 0 332.492 2.047 10 0 EEAERP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001274818515 1205179146 /nfs/dbraw/zinc/17/91/46/1205179146.db2.gz MEJPKLLUBJCERR-CHWSQXEVSA-N 2 0 346.397 2.272 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001411643154 1205469539 /nfs/dbraw/zinc/46/95/39/1205469539.db2.gz IATYEUWRMUFRPT-KRWDZBQOSA-N 2 0 331.504 2.398 10 0 EEAERP CCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1CCCC1 ZINC001411756790 1205512957 /nfs/dbraw/zinc/51/29/57/1205512957.db2.gz PUULQZOZJLEQLF-QGZVFWFLSA-N 2 0 346.523 2.001 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)CC1 ZINC001280768719 1205597911 /nfs/dbraw/zinc/59/79/11/1205597911.db2.gz BNGHOKWSPMNMEY-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1c(C(=O)N(C)CC[C@H]([NH2+]CCCO)C(C)C)ccc2c[nH+]cn21 ZINC001276130635 1205791667 /nfs/dbraw/zinc/79/16/67/1205791667.db2.gz YPZGVJFEEDTXFW-SFHVURJKSA-N 2 0 346.475 2.101 10 0 EEAERP CN(CCC[NH2+]Cc1ccncc1Cl)C(=O)C1CC[NH+](C)CC1 ZINC001276208188 1205833436 /nfs/dbraw/zinc/83/34/36/1205833436.db2.gz BPNVSVZSMJVOBC-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP COCc1cccc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001276209247 1205834290 /nfs/dbraw/zinc/83/42/90/1205834290.db2.gz RRMLAQFMLCLFBU-UHFFFAOYSA-N 2 0 347.503 2.113 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001276231869 1205845800 /nfs/dbraw/zinc/84/58/00/1205845800.db2.gz GNSZQWDWAHOSQU-HNNXBMFYSA-N 2 0 327.419 2.243 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccnnc1 ZINC000924643026 1206009534 /nfs/dbraw/zinc/00/95/34/1206009534.db2.gz DHZKWDCMLQWUHK-GOSISDBHSA-N 2 0 339.487 2.335 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC4(C3)CO[C@@H](C)C4)cn2)CC1 ZINC000924690221 1206018881 /nfs/dbraw/zinc/01/88/81/1206018881.db2.gz PRNXZGZWWIDSLM-VQSBYGRUSA-N 2 0 344.503 2.271 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924966874 1206056550 /nfs/dbraw/zinc/05/65/50/1206056550.db2.gz QOFCYABUOZDPGG-UYAOXDASSA-N 2 0 330.520 2.410 10 0 EEAERP C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccnn1C1CCC1 ZINC000925020893 1206061827 /nfs/dbraw/zinc/06/18/27/1206061827.db2.gz SXCWMKUOUJERAK-HNNXBMFYSA-N 2 0 347.507 2.201 10 0 EEAERP COc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)on1 ZINC000925155052 1206077124 /nfs/dbraw/zinc/07/71/24/1206077124.db2.gz KBUDHDVKFIQBIQ-HNNXBMFYSA-N 2 0 336.480 2.284 10 0 EEAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000925441435 1206112368 /nfs/dbraw/zinc/11/23/68/1206112368.db2.gz PNVWBMQIVJIKHM-MOPGFXCFSA-N 2 0 347.503 2.129 10 0 EEAERP CC1(C)[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504863 1206120936 /nfs/dbraw/zinc/12/09/36/1206120936.db2.gz MBSOODBTRAIYDK-FGTMMUONSA-N 2 0 335.536 2.388 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925512498 1206121102 /nfs/dbraw/zinc/12/11/02/1206121102.db2.gz DGXFMTJCULNEIK-ZRNYENFQSA-N 2 0 343.515 2.254 10 0 EEAERP O=C(c1ccccc1)N1CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925508424 1206121148 /nfs/dbraw/zinc/12/11/48/1206121148.db2.gz FPNIIUHOKWLLME-WKWVNEEDSA-N 2 0 339.483 2.125 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925538075 1206124954 /nfs/dbraw/zinc/12/49/54/1206124954.db2.gz QQMVEUNHMVZWDW-VQTJNVASSA-N 3 0 342.531 2.054 10 0 EEAERP O=C(CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)NCc1ccccc1 ZINC000925541568 1206125416 /nfs/dbraw/zinc/12/54/16/1206125416.db2.gz BPBGIVLSDUKARK-RBUKOAKNSA-N 2 0 329.488 2.451 10 0 EEAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563634 1206128656 /nfs/dbraw/zinc/12/86/56/1206128656.db2.gz OTGNUYCQEJBMDN-NEWSRXKRSA-N 2 0 336.451 2.323 10 0 EEAERP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925581155 1206131697 /nfs/dbraw/zinc/13/16/97/1206131697.db2.gz PZEPGBLZZISRFL-SJORKVTESA-N 2 0 333.476 2.466 10 0 EEAERP CC1(C)C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623064 1206137058 /nfs/dbraw/zinc/13/70/58/1206137058.db2.gz OOHKXXZGXURRJJ-ZRNYENFQSA-N 3 0 345.531 2.365 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000925762799 1206151550 /nfs/dbraw/zinc/15/15/50/1206151550.db2.gz OIORPXBJNMYHKP-UMNHJUIQSA-N 2 0 333.295 2.395 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000925836436 1206158690 /nfs/dbraw/zinc/15/86/90/1206158690.db2.gz KRICNVOVUWIQDR-OALUTQOASA-N 2 0 331.504 2.385 10 0 EEAERP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854254 1206161207 /nfs/dbraw/zinc/16/12/07/1206161207.db2.gz MKIOCXRSZMEFOW-AEFFLSMTSA-N 2 0 344.455 2.348 10 0 EEAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925859615 1206162555 /nfs/dbraw/zinc/16/25/55/1206162555.db2.gz XEHDNKYENNEISY-BZUAXINKSA-N 2 0 338.492 2.101 10 0 EEAERP Cc1ccc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000926043108 1206185192 /nfs/dbraw/zinc/18/51/92/1206185192.db2.gz RWRYOODPNUBEEO-CABCVRRESA-N 2 0 334.464 2.184 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000928828394 1206424852 /nfs/dbraw/zinc/42/48/52/1206424852.db2.gz AQQRFKYGHHRKQQ-GOSISDBHSA-N 2 0 330.476 2.065 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1cccnc1 ZINC000928827689 1206424894 /nfs/dbraw/zinc/42/48/94/1206424894.db2.gz DHYKWMLAUDITIR-OKZBNKHCSA-N 2 0 330.476 2.208 10 0 EEAERP CC(C)C[N@H+](C[C@H](O)CCC1(O)CCC1)CC1CC[NH+](C)CC1 ZINC000931564606 1207413426 /nfs/dbraw/zinc/41/34/26/1207413426.db2.gz LSSXYEZEIDZVPK-GOSISDBHSA-N 2 0 326.525 2.342 10 0 EEAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001412811278 1208470928 /nfs/dbraw/zinc/47/09/28/1208470928.db2.gz YVDDYHASWKZGRZ-ARFHVFGLSA-N 2 0 325.472 2.190 10 0 EEAERP CO[C@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000717932369 1211602131 /nfs/dbraw/zinc/60/21/31/1211602131.db2.gz ACHRUQANLRTEGL-LJQANCHMSA-N 2 0 332.488 2.418 10 0 EEAERP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OCC ZINC000903496561 1240673138 /nfs/dbraw/zinc/67/31/38/1240673138.db2.gz SIMCQWIGDSJEFL-HUUCEWRRSA-N 2 0 349.475 2.339 10 0 EEAERP C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)COC(=O)N1 ZINC000903560927 1240943821 /nfs/dbraw/zinc/94/38/21/1240943821.db2.gz DONWWUYODAWKSH-MJGOQNOKSA-N 2 0 329.444 2.043 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903722124 1241719229 /nfs/dbraw/zinc/71/92/29/1241719229.db2.gz HJLRKIHHQYIMOE-RTWAWAEBSA-N 2 0 344.499 2.479 10 0 EEAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000903736972 1241778874 /nfs/dbraw/zinc/77/88/74/1241778874.db2.gz ODPSFUFDTPBTHB-UFYCRDLUSA-N 3 0 335.536 2.343 10 0 EEAERP O[C@@H](C[C@@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896956 1242376894 /nfs/dbraw/zinc/37/68/94/1242376894.db2.gz BVQYTNCFXDCPLF-YGDSSSOMSA-N 2 0 330.472 2.342 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C2(c3ccccc3)CCOCC2)cnn1C ZINC000903897853 1242386356 /nfs/dbraw/zinc/38/63/56/1242386356.db2.gz HOAJQLYEVMIQNV-QGZVFWFLSA-N 2 0 342.487 2.141 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cnn1C ZINC000903904383 1242415490 /nfs/dbraw/zinc/41/54/90/1242415490.db2.gz TYXNWQRHWHWOGQ-BEFAXECRSA-N 2 0 328.460 2.389 10 0 EEAERP COC(=O)COc1ccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903917321 1242472084 /nfs/dbraw/zinc/47/20/84/1242472084.db2.gz ZBIREBIYZBHSFN-ALOPSCKCSA-N 2 0 332.444 2.201 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cnn1C ZINC000903937922 1242588783 /nfs/dbraw/zinc/58/87/83/1242588783.db2.gz VLJHSZZQRSDXEY-VQIMIIECSA-N 2 0 334.508 2.270 10 0 EEAERP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903974529 1242812034 /nfs/dbraw/zinc/81/20/34/1242812034.db2.gz QRHNEDDUVURFOM-IJEWVQPXSA-N 2 0 347.459 2.026 10 0 EEAERP COC(=O)N(C)CC[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000827335759 1247921133 /nfs/dbraw/zinc/92/11/33/1247921133.db2.gz YETHQDKSOACXEI-UHFFFAOYSA-N 2 0 349.475 2.291 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001491031716 1258589869 /nfs/dbraw/zinc/58/98/69/1258589869.db2.gz ONFNVXSLFNPWIQ-IYBDPMFKSA-N 2 0 344.459 2.310 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491176248 1258739737 /nfs/dbraw/zinc/73/97/37/1258739737.db2.gz XCTKRZNBAXJTPM-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491176249 1258740049 /nfs/dbraw/zinc/74/00/49/1258740049.db2.gz XCTKRZNBAXJTPM-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)COCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001491212948 1258786919 /nfs/dbraw/zinc/78/69/19/1258786919.db2.gz FLBOVPKZQXEWPW-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001491252868 1258846764 /nfs/dbraw/zinc/84/67/64/1258846764.db2.gz FWSKFFOPFKVPIO-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCc2ccns2)CC1 ZINC001491370577 1259004445 /nfs/dbraw/zinc/00/44/45/1259004445.db2.gz SHUHQOPTTMSUIU-UHFFFAOYSA-N 2 0 338.521 2.043 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001491456739 1259101384 /nfs/dbraw/zinc/10/13/84/1259101384.db2.gz JPTIPSXWYYMACH-MAUKXSAKSA-N 2 0 344.503 2.141 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001273445230 1278416806 /nfs/dbraw/zinc/41/68/06/1278416806.db2.gz JVTGWUXWJNZSBW-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)C1 ZINC000850507995 1277254358 /nfs/dbraw/zinc/25/43/58/1277254358.db2.gz JNOSBJLWKBXHME-MOPGFXCFSA-N 2 0 330.472 2.302 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)o1 ZINC001483252309 1277867976 /nfs/dbraw/zinc/86/79/76/1277867976.db2.gz QZMHXVPVYIKWOJ-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCO1 ZINC001273317056 1277968525 /nfs/dbraw/zinc/96/85/25/1277968525.db2.gz YMYUKOPNXKUJSW-LJQANCHMSA-N 2 0 347.503 2.021 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273569305 1279994265 /nfs/dbraw/zinc/99/42/65/1279994265.db2.gz LZKYGTQAACZQAL-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273710551 1283857567 /nfs/dbraw/zinc/85/75/67/1283857567.db2.gz YSYOZTFJVDSUPH-GOSISDBHSA-N 2 0 347.503 2.284 10 0 EEAERP COCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001273840104 1286663991 /nfs/dbraw/zinc/66/39/91/1286663991.db2.gz HKMFZYOKSKCQRH-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1sccc1Cl ZINC001273912363 1289797335 /nfs/dbraw/zinc/79/73/35/1289797335.db2.gz XYEYUDJYXJMOAD-IBUXWKBASA-N 2 0 327.881 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cnoc1C ZINC001490348685 1291168624 /nfs/dbraw/zinc/16/86/24/1291168624.db2.gz FQWJYKKDPNATNZ-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309117 1291179784 /nfs/dbraw/zinc/17/97/84/1291179784.db2.gz YBAVEAWQXAEVLZ-YOEHRIQHSA-N 2 0 336.480 2.102 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCOCC)C1 ZINC001490766370 1291703031 /nfs/dbraw/zinc/70/30/31/1291703031.db2.gz NGABCYWTMUCKIJ-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000854515270 1292827024 /nfs/dbraw/zinc/82/70/24/1292827024.db2.gz RLQQIBAAJJEYBU-SZVBFZGTSA-N 2 0 327.472 2.471 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(N)c3)C2)ccn1 ZINC000856585504 1293572962 /nfs/dbraw/zinc/57/29/62/1293572962.db2.gz HSRNTEFCTCGVPJ-SFHVURJKSA-N 2 0 341.459 2.164 10 0 EEAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000858677161 1294189549 /nfs/dbraw/zinc/18/95/49/1294189549.db2.gz SUXRCVQRYKVWSP-OALUTQOASA-N 2 0 341.499 2.357 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001490903578 1294711201 /nfs/dbraw/zinc/71/12/01/1294711201.db2.gz XNUZRJQPRZFREU-FHWLQOOXSA-N 2 0 329.488 2.340 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000863210521 1296151464 /nfs/dbraw/zinc/15/14/64/1296151464.db2.gz MYNFDJSUYAFERV-SJORKVTESA-N 2 0 338.565 2.342 10 0 EEAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000927126946 1297027268 /nfs/dbraw/zinc/02/72/68/1297027268.db2.gz PEYJJHSVXOWCHW-HLNWXESRSA-N 2 0 340.471 2.096 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001277001212 1300763443 /nfs/dbraw/zinc/76/34/43/1300763443.db2.gz KTSSFURHMUXQJH-AJNGGQMLSA-N 2 0 347.425 2.440 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277148838 1301514649 /nfs/dbraw/zinc/51/46/49/1301514649.db2.gz WXLDIBQVELQLFQ-CRAIPNDOSA-N 2 0 335.467 2.337 10 0 EEAERP O=C(NCC1([NH2+]CCOCC2CCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001277194592 1301756308 /nfs/dbraw/zinc/75/63/08/1301756308.db2.gz DCCIFYCJSCIRMP-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP C[C@@H](CCC[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277219278 1301885063 /nfs/dbraw/zinc/88/50/63/1301885063.db2.gz XNZZFKMYEGQAJF-ZHMISCPASA-N 2 0 327.900 2.489 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[NH+]2CCCC2)c(C)n1 ZINC001277356884 1302622364 /nfs/dbraw/zinc/62/23/64/1302622364.db2.gz YGDRDMBYZSNJAU-HNNXBMFYSA-N 2 0 332.492 2.169 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C2)CC[NH+](CCCCCF)CC3)C1 ZINC001277496098 1303679857 /nfs/dbraw/zinc/67/98/57/1303679857.db2.gz MUIJXLVZOWGNAA-KRWDZBQOSA-N 2 0 339.499 2.392 10 0 EEAERP CC[N@H+](CCC1CC[NH+](CCC(=O)N(C)OC)CC1)CC(C)C ZINC000799153175 1305168760 /nfs/dbraw/zinc/16/87/60/1305168760.db2.gz ZMTARBDTRSOJMR-UHFFFAOYSA-N 2 0 327.513 2.476 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001278087429 1305908467 /nfs/dbraw/zinc/90/84/67/1305908467.db2.gz GDKMIVYRXWPSHV-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001278426162 1310210727 /nfs/dbraw/zinc/21/07/27/1310210727.db2.gz FYPFULJXEZBHJR-HXUWFJFHSA-N 2 0 347.503 2.021 10 0 EEAERP Cc1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)c(N(C)C)n1 ZINC000841154813 1315491674 /nfs/dbraw/zinc/49/16/74/1315491674.db2.gz NECOJVPOZWUJJC-UHFFFAOYSA-N 2 0 341.459 2.491 10 0 EEAERP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278518825 1317122499 /nfs/dbraw/zinc/12/24/99/1317122499.db2.gz JTCIVQCTHVIDNW-LWAXHKBTSA-N 2 0 325.884 2.196 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCCCF ZINC001278639533 1317527690 /nfs/dbraw/zinc/52/76/90/1317527690.db2.gz KNCWZTXDMPXCDL-DLBZAZTESA-N 2 0 339.499 2.295 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOCC2CC2)C1)[NH+](C)C ZINC001264122534 1322634529 /nfs/dbraw/zinc/63/45/29/1322634529.db2.gz ONNHZCBPXFRZSC-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264683401 1322782672 /nfs/dbraw/zinc/78/26/72/1322782672.db2.gz CKJRAZSYKOHHOZ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1conc1C ZINC001265147886 1322948560 /nfs/dbraw/zinc/94/85/60/1322948560.db2.gz NOSRNMPHXLHFJR-HUUCEWRRSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cnc(C)o1 ZINC001265147856 1322949003 /nfs/dbraw/zinc/94/90/03/1322949003.db2.gz MWOBSSVUDQRYCI-GASCZTMLSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1 ZINC001265573163 1323226800 /nfs/dbraw/zinc/22/68/00/1323226800.db2.gz XBFCOYZHBLELDZ-KDURUIRLSA-N 2 0 344.503 2.393 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001265961901 1323523096 /nfs/dbraw/zinc/52/30/96/1323523096.db2.gz KBSCBMQBNNFDPO-UXBLZVDNSA-N 2 0 326.444 2.412 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266021271 1323573461 /nfs/dbraw/zinc/57/34/61/1323573461.db2.gz VBERTUZLMPRFFI-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001266029380 1323580383 /nfs/dbraw/zinc/58/03/83/1323580383.db2.gz PNJCBVCOQPIBCN-PMACEKPBSA-N 2 0 343.515 2.317 10 0 EEAERP CC1CC[NH+](CC(=O)NCC2=CCN(Cc3ccns3)CC2)CC1 ZINC001279660581 1323972962 /nfs/dbraw/zinc/97/29/62/1323972962.db2.gz DDNWHKQTFXZIEM-UHFFFAOYSA-N 2 0 348.516 2.123 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001280374420 1324183968 /nfs/dbraw/zinc/18/39/68/1324183968.db2.gz WZDRQNKHKTZTSU-IYARVYRRSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001280457930 1324236092 /nfs/dbraw/zinc/23/60/92/1324236092.db2.gz FDMPBHCQTPKRDE-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001281408539 1325048138 /nfs/dbraw/zinc/04/81/38/1325048138.db2.gz ICNPJWWGHGJYCX-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCc1cccs1 ZINC001281457880 1325122749 /nfs/dbraw/zinc/12/27/49/1325122749.db2.gz MGFBKRPYUKIIJE-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001276686151 1325342560 /nfs/dbraw/zinc/34/25/60/1325342560.db2.gz DLDVLGCOECHSGX-AZUAARDMSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)OCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001282619193 1325753444 /nfs/dbraw/zinc/75/34/44/1325753444.db2.gz LOFYVZANLIEULJ-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccns1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283229758 1325963302 /nfs/dbraw/zinc/96/33/02/1325963302.db2.gz PNINJLIPPMVPCU-KKUMJFAQSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ncoc1C[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001283340963 1326018974 /nfs/dbraw/zinc/01/89/74/1326018974.db2.gz UFQBLFKBOMDQLF-UHFFFAOYSA-N 2 0 336.480 2.138 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCOCC(C)C)CC2)[NH+](C)C ZINC001284073200 1326394283 /nfs/dbraw/zinc/39/42/83/1326394283.db2.gz ZNKPHXWFCHEUGF-ZHALLVOQSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001284292490 1326491343 /nfs/dbraw/zinc/49/13/43/1326491343.db2.gz TVQDCYKENBMVHE-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001284373493 1326525708 /nfs/dbraw/zinc/52/57/08/1326525708.db2.gz NRACFLSOUDLZII-UONOGXRCSA-N 2 0 337.430 2.211 10 0 EEAERP CC(C)COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491933987 1330324995 /nfs/dbraw/zinc/32/49/95/1330324995.db2.gz GVOAVKOXYWSBCV-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC[C@@H]2CCCCO2)C1 ZINC001491956316 1330348796 /nfs/dbraw/zinc/34/87/96/1330348796.db2.gz LGEBUMDKXNKJOO-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CC[C@@H]2CCCO2)C1 ZINC001491959634 1330353156 /nfs/dbraw/zinc/35/31/56/1330353156.db2.gz OCDJJVUUICKPJX-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001492078285 1330985497 /nfs/dbraw/zinc/98/54/97/1330985497.db2.gz RYRDRYSBRHYDDQ-CHWSQXEVSA-N 2 0 327.419 2.462 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1CCOC1CCC1)C12CC[NH+](CC1)C2 ZINC001492175772 1331053851 /nfs/dbraw/zinc/05/38/51/1331053851.db2.gz LBVHGXMSZDDUJK-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316684214 1331322060 /nfs/dbraw/zinc/32/20/60/1331322060.db2.gz FHTVIRMVXIFXRL-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC001316856663 1331507296 /nfs/dbraw/zinc/50/72/96/1331507296.db2.gz UTYAAKXWXHNTDP-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCF)CC1 ZINC001316936288 1331820220 /nfs/dbraw/zinc/82/02/20/1331820220.db2.gz YPHOAIQEACGIQW-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001316766088 1331820259 /nfs/dbraw/zinc/82/02/59/1331820259.db2.gz GXVBGEYIVXWRIS-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316842546 1331927516 /nfs/dbraw/zinc/92/75/16/1331927516.db2.gz IPWFBZRAPZOARW-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001316854890 1331937974 /nfs/dbraw/zinc/93/79/74/1331937974.db2.gz XCKLETLPFLKPLD-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]CCc2cccs2)C1)C12CCC[NH+]1CCC2 ZINC001317328914 1332181677 /nfs/dbraw/zinc/18/16/77/1332181677.db2.gz WPWFYBYGBOJHKM-INIZCTEOSA-N 2 0 347.528 2.357 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317341070 1332186531 /nfs/dbraw/zinc/18/65/31/1332186531.db2.gz PKJMWWJTYSMAAZ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NCc1ccc(CC[NH2+]CCC2CC2)cc1)C12CC[NH+](CC1)C2 ZINC001317369565 1332199261 /nfs/dbraw/zinc/19/92/61/1332199261.db2.gz ZFPKIBPSGYTTAV-UHFFFAOYSA-N 2 0 341.499 2.331 10 0 EEAERP COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317378559 1332205274 /nfs/dbraw/zinc/20/52/74/1332205274.db2.gz PVOXVGQQTOVYLO-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001317433548 1332237511 /nfs/dbraw/zinc/23/75/11/1332237511.db2.gz FSOUGUHGVOVCNR-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001317435561 1332239671 /nfs/dbraw/zinc/23/96/71/1332239671.db2.gz UCYRZPNEYBROHI-SFHVURJKSA-N 2 0 330.476 2.038 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001317530463 1332285941 /nfs/dbraw/zinc/28/59/41/1332285941.db2.gz XKYDSHYMRRAYSQ-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317596139 1332316705 /nfs/dbraw/zinc/31/67/05/1332316705.db2.gz HVFVEJUXZZUCNF-OAHLLOKOSA-N 2 0 339.430 2.387 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1nsc2ccccc12 ZINC001317656993 1332353192 /nfs/dbraw/zinc/35/31/92/1332353192.db2.gz CZSGVKGSZRXAAW-UHFFFAOYSA-N 2 0 334.489 2.186 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001317668521 1332360958 /nfs/dbraw/zinc/36/09/58/1332360958.db2.gz DJOIUMHOLVDPHI-HOTGVXAUSA-N 2 0 349.523 2.059 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001318277210 1332500736 /nfs/dbraw/zinc/50/07/36/1332500736.db2.gz YZCCEWKOUFMEKX-PKOBYXMFSA-N 2 0 347.503 2.232 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001318779269 1332594671 /nfs/dbraw/zinc/59/46/71/1332594671.db2.gz GTUGBZWVRWZAIH-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001318780869 1332595067 /nfs/dbraw/zinc/59/50/67/1332595067.db2.gz LKUDUTOFXGFTLA-WBVHZDCISA-N 2 0 348.491 2.050 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2conc2C)C1)[NH+](C)C ZINC001318807211 1332602766 /nfs/dbraw/zinc/60/27/66/1332602766.db2.gz WYGLFTDVFIBALD-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cnc(C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)o1 ZINC001318906477 1332621248 /nfs/dbraw/zinc/62/12/48/1332621248.db2.gz GSGBMBZYWAXKPE-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCOCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320562109 1332910593 /nfs/dbraw/zinc/91/05/93/1332910593.db2.gz IFIRNCDPRQWQPI-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1oc(C)nc1C ZINC001320643518 1332927763 /nfs/dbraw/zinc/92/77/63/1332927763.db2.gz FSTPARYTVPRAMF-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)CC[NH+]1CCCCC1 ZINC001320929574 1332981704 /nfs/dbraw/zinc/98/17/04/1332981704.db2.gz SFTXDTJAZZTDRY-UHFFFAOYSA-N 2 0 331.451 2.346 10 0 EEAERP CCc1ccccc1CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320999260 1332994758 /nfs/dbraw/zinc/99/47/58/1332994758.db2.gz UCGABWMARYYHPR-LIXSYLKWSA-N 2 0 329.488 2.148 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001321066617 1333009956 /nfs/dbraw/zinc/00/99/56/1333009956.db2.gz MEUAFDQPOWPAHD-WXFDERKXSA-N 2 0 345.487 2.106 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCc1ccccc1 ZINC001321119266 1333023193 /nfs/dbraw/zinc/02/31/93/1333023193.db2.gz ABFLTAMQTJCHQM-RURPWVQCSA-N 2 0 329.488 2.366 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001321223941 1333048683 /nfs/dbraw/zinc/04/86/83/1333048683.db2.gz PMUIVXCWHUCCJQ-SNAWJCMRSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccns1 ZINC001321282186 1333063576 /nfs/dbraw/zinc/06/35/76/1333063576.db2.gz VXOUJNVGRDJTRU-AWFCHZOYSA-N 2 0 336.505 2.168 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cnccn1 ZINC001322590688 1333289093 /nfs/dbraw/zinc/28/90/93/1333289093.db2.gz HGPPXINMCPQDKE-AEFFLSMTSA-N 2 0 347.507 2.096 10 0 EEAERP CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CN(CC)CCO1)c1ccccc1 ZINC001322841168 1333338442 /nfs/dbraw/zinc/33/84/42/1333338442.db2.gz DNAXADJVJQJYLF-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCOC(C)C ZINC001323142638 1333395244 /nfs/dbraw/zinc/39/52/44/1333395244.db2.gz JJEJPPIHGSPKPQ-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cccc(CCC[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001323406658 1333457708 /nfs/dbraw/zinc/45/77/08/1333457708.db2.gz RBKVMCSLDXHAFO-SFHVURJKSA-N 2 0 329.488 2.260 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1)C12CCC[NH+]1CCC2 ZINC001324186683 1333630871 /nfs/dbraw/zinc/63/08/71/1333630871.db2.gz MAIBQDCYPALLHP-MSOLQXFVSA-N 2 0 349.519 2.155 10 0 EEAERP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C[NH2+]CCCF ZINC001325598305 1333920849 /nfs/dbraw/zinc/92/08/49/1333920849.db2.gz JFKHGPUUGUDIRL-QAPCUYQASA-N 2 0 335.467 2.406 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)CC1 ZINC001326349538 1334073772 /nfs/dbraw/zinc/07/37/72/1334073772.db2.gz NFDJTMGGTVUQAS-HNNXBMFYSA-N 2 0 335.517 2.418 10 0 EEAERP CC[N@H+](CCCOC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001328578430 1334483053 /nfs/dbraw/zinc/48/30/53/1334483053.db2.gz OVGINCHMSTZRFE-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001329231896 1334612599 /nfs/dbraw/zinc/61/25/99/1334612599.db2.gz XJEZWTYAQJTQFR-AQEOSJORSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CCCNCc1ncc(C2CC2)o1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330819947 1334908938 /nfs/dbraw/zinc/90/89/38/1334908938.db2.gz HROPYOBFGQEDEV-SQWLQELKSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1ncc(C[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)s1 ZINC001330836869 1334912144 /nfs/dbraw/zinc/91/21/44/1334912144.db2.gz SAEAXRJKPUQQQG-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330977145 1334939538 /nfs/dbraw/zinc/93/95/38/1334939538.db2.gz OVVHNIWNKUGDPG-FUHWJXTLSA-N 2 0 346.519 2.079 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001332029291 1335709591 /nfs/dbraw/zinc/70/95/91/1335709591.db2.gz FFPUEYFDGJMOHM-LPHOPBHVSA-N 2 0 347.503 2.366 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2F)CC1 ZINC001332115741 1335733653 /nfs/dbraw/zinc/73/36/53/1335733653.db2.gz FHMGPFNFVBPWRH-DOTOQJQBSA-N 2 0 348.466 2.424 10 0 EEAERP CN(C[C@@H](O)C[NH2+]CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332553618 1335848358 /nfs/dbraw/zinc/84/83/58/1335848358.db2.gz WQDJSSLGVBZKOX-INIZCTEOSA-N 2 0 341.540 2.096 10 0 EEAERP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001333446782 1336048506 /nfs/dbraw/zinc/04/85/06/1336048506.db2.gz AHOXAQVZHVGQJD-GHOSXJJBSA-N 2 0 349.519 2.202 10 0 EEAERP Cc1ccc([C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849095039 1338837488 /nfs/dbraw/zinc/83/74/88/1338837488.db2.gz VOHGEPZRYRPMSN-AEFFLSMTSA-N 2 0 330.476 2.377 10 0 EEAERP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000849095818 1338838818 /nfs/dbraw/zinc/83/88/18/1338838818.db2.gz OMEVJZGDOMVMHU-SJLPKXTDSA-N 2 0 330.476 2.144 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001666162628 1355472517 /nfs/dbraw/zinc/47/25/17/1355472517.db2.gz RAWOJIDATKNPDS-CQSZACIVSA-N 2 0 337.430 2.499 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001668196207 1355896040 /nfs/dbraw/zinc/89/60/40/1355896040.db2.gz FBTWJMBPPKWJFP-OAHLLOKOSA-N 2 0 349.523 2.099 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001668214854 1355900909 /nfs/dbraw/zinc/90/09/09/1355900909.db2.gz QNPJKUVANOSVIQ-CHWSQXEVSA-N 2 0 338.521 2.086 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668652586 1355980258 /nfs/dbraw/zinc/98/02/58/1355980258.db2.gz QZVMQADQRUFAJZ-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)ccc1C ZINC001497974789 1342103186 /nfs/dbraw/zinc/10/31/86/1342103186.db2.gz AGHMJAKCJUNRKL-UZLBHIALSA-N 2 0 345.487 2.084 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001506583235 1342260050 /nfs/dbraw/zinc/26/00/50/1342260050.db2.gz OXTPUBNXJBNBKG-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001506666064 1342307287 /nfs/dbraw/zinc/30/72/87/1342307287.db2.gz OYERPILPDIZTEZ-HOTGVXAUSA-N 2 0 333.520 2.345 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566871569 1342643056 /nfs/dbraw/zinc/64/30/56/1342643056.db2.gz GFGHQMAFMOOCLI-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567136244 1342699503 /nfs/dbraw/zinc/69/95/03/1342699503.db2.gz WAUSNCBNNIBPJQ-FXAWDEMLSA-N 2 0 343.515 2.324 10 0 EEAERP CN(CC[NH2+]Cc1ccccn1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001567522833 1342777867 /nfs/dbraw/zinc/77/78/67/1342777867.db2.gz HJKYASYAYIUISY-UHFFFAOYSA-N 2 0 332.492 2.283 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)c1ccccc1CC[NH+](C)C ZINC001567535473 1342781216 /nfs/dbraw/zinc/78/12/16/1342781216.db2.gz BAXDAQXWKWRXON-UHFFFAOYSA-N 2 0 340.471 2.048 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676017882 1357089337 /nfs/dbraw/zinc/08/93/37/1357089337.db2.gz DBINLUSPRVRGAF-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@H]2CCCCO2)C1 ZINC001567742366 1342830577 /nfs/dbraw/zinc/83/05/77/1342830577.db2.gz MSNYFVCGRRNSJA-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCOCC1 ZINC001569730267 1342935801 /nfs/dbraw/zinc/93/58/01/1342935801.db2.gz FIODJMZQZARJQH-UHFFFAOYSA-N 2 0 337.508 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001570516696 1343078072 /nfs/dbraw/zinc/07/80/72/1343078072.db2.gz KXCCMRVJDGCAIM-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001571321862 1343179814 /nfs/dbraw/zinc/17/98/14/1343179814.db2.gz CSCHBMOIJZJNRS-HNNXBMFYSA-N 2 0 333.451 2.296 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C(F)(F)F)C1 ZINC001677052293 1357271729 /nfs/dbraw/zinc/27/17/29/1357271729.db2.gz OKMVIUHEQKUSBP-HUUCEWRRSA-N 2 0 349.441 2.353 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCOCC1CC1)C(C)(C)C ZINC001677262801 1357303263 /nfs/dbraw/zinc/30/32/63/1357303263.db2.gz DTTPXENESPWDLU-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H](C[NH2+]CCCO)C(C)(C)C ZINC001677263661 1357304343 /nfs/dbraw/zinc/30/43/43/1357304343.db2.gz WMCZCTDIGFENDR-INIZCTEOSA-N 2 0 341.540 2.142 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)Cc1c[nH]cn1 ZINC001677286819 1357307508 /nfs/dbraw/zinc/30/75/08/1357307508.db2.gz OYZUNWQSNZXKRD-QGZVFWFLSA-N 2 0 344.459 2.152 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001677573760 1357359612 /nfs/dbraw/zinc/35/96/12/1357359612.db2.gz ADPQKGRKWWLBSD-RTBURBONSA-N 2 0 349.519 2.178 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001645892455 1352807551 /nfs/dbraw/zinc/80/75/51/1352807551.db2.gz DUONNJCQJGDYOA-CVEARBPZSA-N 2 0 332.448 2.033 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(F)cc1 ZINC001647226462 1353197373 /nfs/dbraw/zinc/19/73/73/1353197373.db2.gz ICFWLRLSLKZQNJ-LNLFQRSKSA-N 2 0 348.466 2.260 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001660322316 1354439184 /nfs/dbraw/zinc/43/91/84/1354439184.db2.gz RGRKBPXJGCNJQE-UHFFFAOYSA-N 2 0 346.519 2.368 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@H]1CCCC1(F)F ZINC001660400591 1354458307 /nfs/dbraw/zinc/45/83/07/1354458307.db2.gz YRAZLVFYLXWYJV-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@H](O)CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001661618195 1354665605 /nfs/dbraw/zinc/66/56/05/1354665605.db2.gz NHXNJUNXVGCSRJ-HRCADAONSA-N 2 0 339.524 2.037 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001661921778 1354723811 /nfs/dbraw/zinc/72/38/11/1354723811.db2.gz LEGVNAJCFVPATG-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001662719038 1354831490 /nfs/dbraw/zinc/83/14/90/1354831490.db2.gz ZXJUDRKKKLQJIM-MRXNPFEDSA-N 2 0 335.467 2.148 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001662761633 1354841329 /nfs/dbraw/zinc/84/13/29/1354841329.db2.gz ZOJGAIPOKMORSE-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCOCC2CCC2)C1)[NH+](C)C ZINC001662845253 1354862543 /nfs/dbraw/zinc/86/25/43/1354862543.db2.gz MTJUYEOULVAAIC-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001663008651 1354886957 /nfs/dbraw/zinc/88/69/57/1354886957.db2.gz LUJOZLARWCVIJJ-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931099 1355056347 /nfs/dbraw/zinc/05/63/47/1355056347.db2.gz BXDNWFGCBJKCJF-GOSISDBHSA-N 2 0 344.503 2.284 10 0 EEAERP CN(CC[NH2+]Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981573 1355066998 /nfs/dbraw/zinc/06/69/98/1355066998.db2.gz LJIDPZKLMGNPRD-GOSISDBHSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001664111919 1355095245 /nfs/dbraw/zinc/09/52/45/1355095245.db2.gz WHVGTSXLWKVLJB-UHFFFAOYSA-N 2 0 331.504 2.460 10 0 EEAERP COCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001664442286 1355165605 /nfs/dbraw/zinc/16/56/05/1355165605.db2.gz KTBGAKHXCOOKFC-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCCOCC)C2)C1 ZINC001665068970 1355270891 /nfs/dbraw/zinc/27/08/91/1355270891.db2.gz IVHAJPCOJNRRTL-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@](C[NH2+]CC=C(Cl)Cl)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001666037136 1355429672 /nfs/dbraw/zinc/42/96/72/1355429672.db2.gz GUDJZLZJWHVYJB-OAHLLOKOSA-N 2 0 334.291 2.276 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001666167252 1355473447 /nfs/dbraw/zinc/47/34/47/1355473447.db2.gz GQAYITBEBFUIMQ-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCCCCF)C2)C1 ZINC001666172499 1355474933 /nfs/dbraw/zinc/47/49/33/1355474933.db2.gz IGZBQKJOBOYFPE-IAGOWNOFSA-N 2 0 327.488 2.296 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCC1CCOCC1)C12CCC[NH+]1CCC2 ZINC001666435515 1355526709 /nfs/dbraw/zinc/52/67/09/1355526709.db2.gz YPUUXXFKQWGXJA-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1c(C(=O)NC[C@@H](O)C[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001667848657 1355822306 /nfs/dbraw/zinc/82/23/06/1355822306.db2.gz ODHLQXLCDQGTLR-INIZCTEOSA-N 2 0 346.475 2.149 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112134 1355873152 /nfs/dbraw/zinc/87/31/52/1355873152.db2.gz AUSPSRAJSHDBTE-XJKSGUPXSA-N 2 0 338.883 2.204 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001668469617 1355947432 /nfs/dbraw/zinc/94/74/32/1355947432.db2.gz VWVIUCYOPYPKSW-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CCN(CC[NH2+]Cc1nsc2ccccc12)C(=O)[C@H]1CCC[N@@H+]1C ZINC001668521336 1355956400 /nfs/dbraw/zinc/95/64/00/1355956400.db2.gz FBLATQFJQNFCBB-MRXNPFEDSA-N 2 0 346.500 2.329 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1 ZINC001668865403 1356027683 /nfs/dbraw/zinc/02/76/83/1356027683.db2.gz XEPDGXABJCSTBW-ONEGZZNKSA-N 2 0 333.451 2.380 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001669150665 1356108292 /nfs/dbraw/zinc/10/82/92/1356108292.db2.gz KPFMJOSCYYSKJR-SFFCAUCYSA-N 2 0 345.487 2.065 10 0 EEAERP CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001670344735 1356323831 /nfs/dbraw/zinc/32/38/31/1356323831.db2.gz KJYJWDNFJXCYOA-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ncc(C)s1 ZINC001670357989 1356326674 /nfs/dbraw/zinc/32/66/74/1356326674.db2.gz YJSKMFUZHHASQJ-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@](C)(C[NH2+]C/C=C\Cl)C2)CC1 ZINC001671794861 1356416438 /nfs/dbraw/zinc/41/64/38/1356416438.db2.gz HHWUZHRVEGESBT-RJIDQJRZSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001672339377 1356504782 /nfs/dbraw/zinc/50/47/82/1356504782.db2.gz VPLCMLATIOTHIE-PKOBYXMFSA-N 2 0 331.504 2.253 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](CCCCCF)C[C@H]21 ZINC001672557908 1356554610 /nfs/dbraw/zinc/55/46/10/1356554610.db2.gz GWSHPFHVSWOFCU-GVDBMIGSSA-N 2 0 325.472 2.143 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001672910057 1356612991 /nfs/dbraw/zinc/61/29/91/1356612991.db2.gz KJGBGHFDPLWMBT-FUHWJXTLSA-N 2 0 333.520 2.347 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001672917012 1356615026 /nfs/dbraw/zinc/61/50/26/1356615026.db2.gz TVWKSOGJBIZPHQ-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001673396767 1356684981 /nfs/dbraw/zinc/68/49/81/1356684981.db2.gz KKWHQVYGNNKFBJ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001673904469 1356757815 /nfs/dbraw/zinc/75/78/15/1356757815.db2.gz KJPYPCFTYGJMQI-IRXDYDNUSA-N 2 0 341.540 2.216 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCCCF)CC2)C1 ZINC001673982443 1356767327 /nfs/dbraw/zinc/76/73/27/1356767327.db2.gz YCPQFMOHTRCJTG-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001674474410 1356840487 /nfs/dbraw/zinc/84/04/87/1356840487.db2.gz AZEDHFLANOFSIT-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001675642600 1357025555 /nfs/dbraw/zinc/02/55/55/1357025555.db2.gz KAPZYFTVKIRHKW-OKZBNKHCSA-N 2 0 339.499 2.439 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]2C1 ZINC001675642601 1357026120 /nfs/dbraw/zinc/02/61/20/1357026120.db2.gz KAPZYFTVKIRHKW-RCCFBDPRSA-N 2 0 339.499 2.439 10 0 EEAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001690773983 1404937352 /nfs/dbraw/zinc/93/73/52/1404937352.db2.gz BHGTYLNKSSZMDW-IRXDYDNUSA-N 2 0 349.519 2.201 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692329840 1405003904 /nfs/dbraw/zinc/00/39/04/1405003904.db2.gz OEEXJYIRHSNRPN-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001698917163 1405160158 /nfs/dbraw/zinc/16/01/58/1405160158.db2.gz HEONBOFIRWCJDK-HOCLYGCPSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001699101279 1405254308 /nfs/dbraw/zinc/25/43/08/1405254308.db2.gz VYFTZPFILUZOET-QFBILLFUSA-N 2 0 329.488 2.321 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001699258574 1405299936 /nfs/dbraw/zinc/29/99/36/1405299936.db2.gz ITGKCKMUBHFEKW-CDDNYBJESA-N 2 0 341.446 2.026 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699383763 1405344636 /nfs/dbraw/zinc/34/46/36/1405344636.db2.gz UYDSWKQCCZKHFR-APWZRJJASA-N 2 0 347.503 2.415 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699383243 1405345105 /nfs/dbraw/zinc/34/51/05/1405345105.db2.gz BKJUFNLSKTWNGL-GOSISDBHSA-N 2 0 331.504 2.445 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1nc2ccccc2o1 ZINC001699550641 1405386794 /nfs/dbraw/zinc/38/67/94/1405386794.db2.gz KEKWTRKDQAYJGB-GJZGRUSLSA-N 2 0 344.459 2.279 10 0 EEAERP CCN1C[C@H](C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)OC1=O ZINC000846842895 790670920 /nfs/dbraw/zinc/67/09/20/790670920.db2.gz XUIDWSSHYSPJNZ-SFHVURJKSA-N 2 0 346.475 2.461 10 0 EEAERP COc1ncc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1Cl ZINC000925845104 779428987 /nfs/dbraw/zinc/42/89/87/779428987.db2.gz FFIBRNIKEUBDDH-AWEZNQCLSA-N 2 0 340.899 2.470 10 0 EEAERP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912808227 788367392 /nfs/dbraw/zinc/36/73/92/788367392.db2.gz VTANUOARUXXVIU-YJBOKZPZSA-N 2 0 332.492 2.336 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000825148492 788457542 /nfs/dbraw/zinc/45/75/42/788457542.db2.gz YLLXHCDKJFISMF-MQFDZRFESA-N 2 0 343.515 2.373 10 0 EEAERP C[NH+](C)[C@@H](CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000913281120 788757417 /nfs/dbraw/zinc/75/74/17/788757417.db2.gz LNWOGEMNSSDUQO-DFQSSKMNSA-N 2 0 329.488 2.480 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H]3OCCN(CC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000844401578 789069167 /nfs/dbraw/zinc/06/91/67/789069167.db2.gz MXYILVFLIDRXDZ-PMACEKPBSA-N 2 0 329.488 2.058 10 0 EEAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923390076 789475328 /nfs/dbraw/zinc/47/53/28/789475328.db2.gz AZYRBLHVSSJFSD-MLYOOKFZSA-N 2 0 348.487 2.096 10 0 EEAERP Cc1cc(C)cc(OC[C@H](O)CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000923426151 789527805 /nfs/dbraw/zinc/52/78/05/789527805.db2.gz NJLUMAPJODAQDH-SQWLQELKSA-N 2 0 346.393 2.112 10 0 EEAERP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923497252 789671325 /nfs/dbraw/zinc/67/13/25/789671325.db2.gz AWJIRJYOYAJYKT-RDJZCZTQSA-N 2 0 345.487 2.103 10 0 EEAERP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921626678 790148536 /nfs/dbraw/zinc/14/85/36/790148536.db2.gz AWIDRWXSBORXCM-YQVWRLOYSA-N 2 0 335.536 2.340 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)CCC3(O)CCC3)C2)CC1 ZINC000929422226 792172058 /nfs/dbraw/zinc/17/20/58/792172058.db2.gz QVKZZVJCVACFKE-RBUKOAKNSA-N 2 0 338.536 2.486 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713350316 794562413 /nfs/dbraw/zinc/56/24/13/794562413.db2.gz GKRICDCEIKNPAF-DMUMMCEESA-N 2 0 327.472 2.094 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000913946045 794625811 /nfs/dbraw/zinc/62/58/11/794625811.db2.gz GADWXBOPXXGVGT-MAUKXSAKSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000913951772 794645810 /nfs/dbraw/zinc/64/58/10/794645810.db2.gz MSNRUBDOUVYPJB-CRAIPNDOSA-N 2 0 330.476 2.174 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903968416 796301411 /nfs/dbraw/zinc/30/14/11/796301411.db2.gz VRCWQVKKDUNOEJ-MJGOQNOKSA-N 3 0 330.520 2.164 10 0 EEAERP COCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693162 796443305 /nfs/dbraw/zinc/44/33/05/796443305.db2.gz OCAREXWRXYMXQQ-YRPNKDGESA-N 2 0 332.488 2.417 10 0 EEAERP CN(C)c1ccc(N2CCC([NH2+]C3(CC(N)=O)CCC3)CC2)cc1 ZINC000921970041 798474703 /nfs/dbraw/zinc/47/47/03/798474703.db2.gz ARDVWLHSFIGJHT-UHFFFAOYSA-N 2 0 330.476 2.109 10 0 EEAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC001566226238 1125591223 /nfs/dbraw/zinc/59/12/23/1125591223.db2.gz MNTIHNXDYWNKDG-TVFCKZIOSA-N 2 0 339.524 2.112 10 0 EEAERP COCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001566533073 1125702517 /nfs/dbraw/zinc/70/25/17/1125702517.db2.gz KMESKEMYNFDNNS-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCc1ccccc1 ZINC001436482144 1087969091 /nfs/dbraw/zinc/96/90/91/1087969091.db2.gz VBIOXSGLWYBKIB-AEFFLSMTSA-N 2 0 329.488 2.150 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC001436695084 1088156852 /nfs/dbraw/zinc/15/68/52/1088156852.db2.gz OPNWRWBJEVXMTM-QGZVFWFLSA-N 2 0 335.467 2.289 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001436725637 1088193302 /nfs/dbraw/zinc/19/33/02/1088193302.db2.gz KGSCABYXNQCBGJ-RTBURBONSA-N 2 0 344.503 2.263 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001436787348 1088343510 /nfs/dbraw/zinc/34/35/10/1088343510.db2.gz JKARVBVJMOMZJK-XUVXKRRUSA-N 2 0 343.515 2.444 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001436934190 1088606072 /nfs/dbraw/zinc/60/60/72/1088606072.db2.gz HAUKWENQTVCLAV-BZSNNMDCSA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001437058047 1088956591 /nfs/dbraw/zinc/95/65/91/1088956591.db2.gz GUMGHEHPJDQTCK-HOTGVXAUSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001437197674 1089253704 /nfs/dbraw/zinc/25/37/04/1089253704.db2.gz GHFVFEDJXAOWKM-HNNXBMFYSA-N 2 0 332.492 2.141 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437262820 1089407607 /nfs/dbraw/zinc/40/76/07/1089407607.db2.gz GMDWTYLJDKLBHW-WMZOPIPTSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001437327207 1089498042 /nfs/dbraw/zinc/49/80/42/1089498042.db2.gz LBPWJJNNWWQTPS-ROUUACIJSA-N 2 0 349.523 2.241 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC001437379257 1089626478 /nfs/dbraw/zinc/62/64/78/1089626478.db2.gz GQHODYWZBQSVQZ-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001437406083 1089682329 /nfs/dbraw/zinc/68/23/29/1089682329.db2.gz XLDFIHCTAOELQQ-SJORKVTESA-N 2 0 331.504 2.228 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCOC1CCC1 ZINC001437624902 1090136727 /nfs/dbraw/zinc/13/67/27/1090136727.db2.gz GOKNFFDECUHYRK-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001437660851 1090190634 /nfs/dbraw/zinc/19/06/34/1090190634.db2.gz PKKQUCGDXRISOV-MSOLQXFVSA-N 2 0 335.467 2.447 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001437902731 1090483176 /nfs/dbraw/zinc/48/31/76/1090483176.db2.gz IFWKSUDJWLKKBH-ROUUACIJSA-N 2 0 344.503 2.155 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCCF)C1)[NH+]1CCCC1 ZINC001437962237 1090557828 /nfs/dbraw/zinc/55/78/28/1090557828.db2.gz UNZYFCWSPFLCFK-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001438263555 1090744614 /nfs/dbraw/zinc/74/46/14/1090744614.db2.gz GREGYZLQUXXKDG-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1oc(C(C)C)nc1C ZINC001438382556 1090866100 /nfs/dbraw/zinc/86/61/00/1090866100.db2.gz ZHLNVYZVMYNZEQ-HNNXBMFYSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438415040 1090907670 /nfs/dbraw/zinc/90/76/70/1090907670.db2.gz NRTLJXALKXNGLW-UYAOXDASSA-N 2 0 344.503 2.329 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001438455606 1090964181 /nfs/dbraw/zinc/96/41/81/1090964181.db2.gz ISIILGXXBKGPFS-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001438670064 1091159703 /nfs/dbraw/zinc/15/97/03/1091159703.db2.gz QVTILZOCXHUYRO-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccns1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438740823 1091291845 /nfs/dbraw/zinc/29/18/45/1091291845.db2.gz HVRYBTOAXBIPOC-GJZGRUSLSA-N 2 0 338.521 2.105 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC001438771265 1091356148 /nfs/dbraw/zinc/35/61/48/1091356148.db2.gz OONJWYVATDEQKY-QWHCGFSZSA-N 2 0 336.307 2.472 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]2C)sn1 ZINC001438782032 1091380035 /nfs/dbraw/zinc/38/00/35/1091380035.db2.gz YMLIMWDPMCOSCG-XJKSGUPXSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2N(C)C)CC[N@@H+]1C ZINC001439107733 1091752352 /nfs/dbraw/zinc/75/23/52/1091752352.db2.gz FKPIWLCBZORMAS-BPQIPLTHSA-N 2 0 346.519 2.077 10 0 EEAERP CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445854864 1091770702 /nfs/dbraw/zinc/77/07/02/1091770702.db2.gz OYCCMIPKQWLGPY-INIZCTEOSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001445881185 1091808790 /nfs/dbraw/zinc/80/87/90/1091808790.db2.gz NLRFPOOGOBKLAB-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001439213639 1091857129 /nfs/dbraw/zinc/85/71/29/1091857129.db2.gz KGGCLKMUGUDWEZ-RYQLBKOJSA-N 2 0 347.503 2.328 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1C ZINC001445940935 1091876224 /nfs/dbraw/zinc/87/62/24/1091876224.db2.gz SQPVIXKVBIWFOL-MSOLQXFVSA-N 2 0 345.487 2.082 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439246680 1091897151 /nfs/dbraw/zinc/89/71/51/1091897151.db2.gz VLRROQDUXJKHLQ-BBRMVZONSA-N 2 0 335.879 2.276 10 0 EEAERP C[C@H](C[N@H+](C)CCCc1ccccc1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439371519 1092105543 /nfs/dbraw/zinc/10/55/43/1092105543.db2.gz YZLQYVBUHZRYNF-ZWKOTPCHSA-N 2 0 331.504 2.398 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001439414957 1092184159 /nfs/dbraw/zinc/18/41/59/1092184159.db2.gz CRUIWHVIRMESFC-CVEARBPZSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC001439515943 1092360376 /nfs/dbraw/zinc/36/03/76/1092360376.db2.gz QMUQJWSFZFXFOB-IEBWSBKVSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001439677444 1092619241 /nfs/dbraw/zinc/61/92/41/1092619241.db2.gz PELCUWZSHVKMQH-GOSISDBHSA-N 2 0 344.503 2.249 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001439780292 1092736772 /nfs/dbraw/zinc/73/67/72/1092736772.db2.gz ZVOYOSDBRXVHSR-QWHCGFSZSA-N 2 0 346.302 2.370 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001439809836 1092773676 /nfs/dbraw/zinc/77/36/76/1092773676.db2.gz DLFWSHUBKAVOLK-CVEARBPZSA-N 2 0 325.472 2.095 10 0 EEAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001439851461 1092869578 /nfs/dbraw/zinc/86/95/78/1092869578.db2.gz NLHZJFZWKNZYHT-HKUYNNGSSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001439885524 1092938994 /nfs/dbraw/zinc/93/89/94/1092938994.db2.gz MLKLVYKTSDFOAC-OXJNMPFZSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439934775 1093024191 /nfs/dbraw/zinc/02/41/91/1093024191.db2.gz TXKTVHNCPXRWLM-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3C2)CCC1 ZINC001448467140 1093479192 /nfs/dbraw/zinc/47/91/92/1093479192.db2.gz UOLYWLMNQHFLLK-RCCFBDPRSA-N 2 0 333.520 2.488 10 0 EEAERP CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001448478291 1093497010 /nfs/dbraw/zinc/49/70/10/1093497010.db2.gz JRTNSPOLZOWXLN-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001440402915 1093589989 /nfs/dbraw/zinc/58/99/89/1093589989.db2.gz SXEOUWKAHDDBQI-BFHYXJOUSA-N 2 0 337.430 2.400 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001440444280 1093651025 /nfs/dbraw/zinc/65/10/25/1093651025.db2.gz MKIMIFBBOAAGPJ-NJAFHUGGSA-N 2 0 348.491 2.040 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001440446251 1093656446 /nfs/dbraw/zinc/65/64/46/1093656446.db2.gz JUQNBGPAGRHIHI-QRQLOZEOSA-N 2 0 329.488 2.480 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001448683392 1093749722 /nfs/dbraw/zinc/74/97/22/1093749722.db2.gz NKKBFPHRLVPUCJ-CRAIPNDOSA-N 2 0 333.476 2.116 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001448780133 1093860925 /nfs/dbraw/zinc/86/09/25/1093860925.db2.gz XWAWWVOTNKJMMR-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001440761097 1094003023 /nfs/dbraw/zinc/00/30/23/1094003023.db2.gz PETNVELXFLCHDN-ARWYELJZSA-N 2 0 327.488 2.339 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001440800738 1094045610 /nfs/dbraw/zinc/04/56/10/1094045610.db2.gz RVHBPQABEKAETJ-HOTGVXAUSA-N 2 0 347.503 2.471 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3coc(C)n3)[C@H]2C1 ZINC001449045333 1094060068 /nfs/dbraw/zinc/06/00/68/1094060068.db2.gz OZNVIHLRFSTSDG-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001440845393 1094103495 /nfs/dbraw/zinc/10/34/95/1094103495.db2.gz YDMHZRSGTKVFKT-OLZOCXBDSA-N 2 0 338.496 2.252 10 0 EEAERP CC(C)N(CCN(C)Cc1cc(C2CC2)no1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449282588 1094231980 /nfs/dbraw/zinc/23/19/80/1094231980.db2.gz YNWQKKULBSKMLW-INIZCTEOSA-N 2 0 348.491 2.173 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001449328870 1094280770 /nfs/dbraw/zinc/28/07/70/1094280770.db2.gz ZYTRLNKQHORYNN-ZFWWWQNUSA-N 2 0 345.478 2.494 10 0 EEAERP CC[C@H](C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1)OC ZINC001441106894 1094417422 /nfs/dbraw/zinc/41/74/22/1094417422.db2.gz POKQFWZCRSYJJZ-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccc(C[NH2+][C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)c1 ZINC001441190796 1094550306 /nfs/dbraw/zinc/55/03/06/1094550306.db2.gz HLLXNDLOWXRNCM-VQTJNVASSA-N 2 0 341.499 2.321 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441383725 1094926012 /nfs/dbraw/zinc/92/60/12/1094926012.db2.gz IXRKGMPOIXRQKK-ANQUJSFKSA-N 2 0 325.472 2.378 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001441589650 1095416017 /nfs/dbraw/zinc/41/60/17/1095416017.db2.gz QXLVSDJMVOMDTR-HUUCEWRRSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H]1C ZINC001441817510 1095852735 /nfs/dbraw/zinc/85/27/35/1095852735.db2.gz KZDUZRAKMUHVOQ-APWZRJJASA-N 2 0 346.519 2.172 10 0 EEAERP COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001441837503 1095907307 /nfs/dbraw/zinc/90/73/07/1095907307.db2.gz PGBQHKFSWSHVPP-SJLPKXTDSA-N 2 0 347.503 2.423 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nocc3C)[C@H]2C1 ZINC001441876362 1095997871 /nfs/dbraw/zinc/99/78/71/1095997871.db2.gz PVCDSPMBHITCCF-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP O=C(NCC[C@H](Cc1ccccc1)[NH2+]CCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001441893615 1096035461 /nfs/dbraw/zinc/03/54/61/1096035461.db2.gz HKAKVYUWGKSEFE-RTBURBONSA-N 2 0 347.478 2.005 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001442010823 1096215879 /nfs/dbraw/zinc/21/58/79/1096215879.db2.gz OJTMHKGQPWBADM-OCCSQVGLSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001442011223 1096215934 /nfs/dbraw/zinc/21/59/34/1096215934.db2.gz SFPOLKRCAQSCDS-BLLLJJGKSA-N 2 0 339.430 2.388 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001442182369 1096451103 /nfs/dbraw/zinc/45/11/03/1096451103.db2.gz UYJMBVZRRPIHTQ-HOTGVXAUSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001442210861 1096500690 /nfs/dbraw/zinc/50/06/90/1096500690.db2.gz SMGYEYSXSXUQEH-CHWSQXEVSA-N 2 0 346.302 2.418 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001442216779 1096510152 /nfs/dbraw/zinc/51/01/52/1096510152.db2.gz FHISKGNVSCGIBI-CABCVRRESA-N 2 0 327.488 2.293 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001442219860 1096515677 /nfs/dbraw/zinc/51/56/77/1096515677.db2.gz PYIUZYWMVQWSPR-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001442221646 1096516635 /nfs/dbraw/zinc/51/66/35/1096516635.db2.gz FJMYIUCDTBCVDT-INIZCTEOSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001442249305 1096549794 /nfs/dbraw/zinc/54/97/94/1096549794.db2.gz BWEMYCUAMFSXSR-CRAIPNDOSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1cc(CN(C)CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)sn1 ZINC001442555650 1096918623 /nfs/dbraw/zinc/91/86/23/1096918623.db2.gz XZXNWHHBEVTVNP-GOEBONIOSA-N 2 0 336.505 2.016 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001442907893 1097312796 /nfs/dbraw/zinc/31/27/96/1097312796.db2.gz SNZRTJJCNIEANI-HNNXBMFYSA-N 2 0 344.459 2.108 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001443874359 1098400725 /nfs/dbraw/zinc/40/07/25/1098400725.db2.gz ISVLSCQMDBSXOQ-GOSISDBHSA-N 2 0 345.487 2.084 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC001443937023 1098456117 /nfs/dbraw/zinc/45/61/17/1098456117.db2.gz WFZBUUNXDMTWBZ-RDJZCZTQSA-N 2 0 336.455 2.080 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479570475 1098614411 /nfs/dbraw/zinc/61/44/11/1098614411.db2.gz WSXUWYVSSVRZAQ-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C[NH2+]Cc2ccon2)CCCC[C@H]1C ZINC001444153472 1098696528 /nfs/dbraw/zinc/69/65/28/1098696528.db2.gz MDQXWOSMYXYCDR-QAPCUYQASA-N 2 0 336.480 2.170 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001479691159 1098754045 /nfs/dbraw/zinc/75/40/45/1098754045.db2.gz XDYOZDBDMBFFSM-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479739705 1098857293 /nfs/dbraw/zinc/85/72/93/1098857293.db2.gz JIVBNPUURWOKMU-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cnccc1C ZINC001479775319 1098951526 /nfs/dbraw/zinc/95/15/26/1098951526.db2.gz QKSBIRNONAQIBK-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCc1ccccc1C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444386260 1098974924 /nfs/dbraw/zinc/97/49/24/1098974924.db2.gz IPWKRZKPMOQWKB-INIZCTEOSA-N 2 0 329.488 2.187 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1c(C)noc1C ZINC001479844809 1099137743 /nfs/dbraw/zinc/13/77/43/1099137743.db2.gz KZTMYHNIDSLMPT-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1ccc(OCC[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cc1 ZINC001479891938 1099266575 /nfs/dbraw/zinc/26/65/75/1099266575.db2.gz HWVFJMRQHIRXAT-UHFFFAOYSA-N 2 0 347.503 2.248 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001479903258 1099288153 /nfs/dbraw/zinc/28/81/53/1099288153.db2.gz NVNRWLSDEXCVRN-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP COc1cccc(C[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)c1 ZINC001444559520 1099360441 /nfs/dbraw/zinc/36/04/41/1099360441.db2.gz KIKLOKAADJQDDQ-UHFFFAOYSA-N 2 0 345.487 2.071 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001444644012 1099474605 /nfs/dbraw/zinc/47/46/05/1099474605.db2.gz AEEIKELBIMLNBO-DYVFJYSZSA-N 2 0 339.430 2.386 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2nccs2)C1 ZINC001444669423 1099508521 /nfs/dbraw/zinc/50/85/21/1099508521.db2.gz HBAPYUVMXDIPJV-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444721085 1099590706 /nfs/dbraw/zinc/59/07/06/1099590706.db2.gz ZBEAILPSBRKVRC-ZIAGYGMSSA-N 2 0 339.430 2.243 10 0 EEAERP CCc1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480063043 1099591468 /nfs/dbraw/zinc/59/14/68/1099591468.db2.gz YJBRFVPWDXZCSE-MOPGFXCFSA-N 2 0 329.488 2.185 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480174049 1099753062 /nfs/dbraw/zinc/75/30/62/1099753062.db2.gz QIQOQXYDADWEEX-BZSNNMDCSA-N 2 0 339.524 2.159 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001480299261 1100015071 /nfs/dbraw/zinc/01/50/71/1100015071.db2.gz APMCBRLRJKAEDJ-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480528187 1100358639 /nfs/dbraw/zinc/35/86/39/1100358639.db2.gz ZFDUMRDYHQLYGK-SQNIBIBYSA-N 2 0 347.503 2.198 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495168044 1100841617 /nfs/dbraw/zinc/84/16/17/1100841617.db2.gz KXQJNQFKEVLDTD-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP Cc1cc(CNC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CCCCC2)no1 ZINC001496327945 1100923361 /nfs/dbraw/zinc/92/33/61/1100923361.db2.gz WMGHJKZJVGLQTQ-FUHWJXTLSA-N 2 0 348.491 2.089 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496358211 1100951981 /nfs/dbraw/zinc/95/19/81/1100951981.db2.gz OOVAILCJSISZKD-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC001496369038 1100962443 /nfs/dbraw/zinc/96/24/43/1100962443.db2.gz PPHDCZOSZRCUQD-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446547630 1101013269 /nfs/dbraw/zinc/01/32/69/1101013269.db2.gz HSIHGLDSGAPFTM-ICSRJNTNSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449651 1101041805 /nfs/dbraw/zinc/04/18/05/1101041805.db2.gz PCDWREBAIWERNL-ZBFHGGJFSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001446577219 1101064176 /nfs/dbraw/zinc/06/41/76/1101064176.db2.gz DPJGTDXVOLQOJW-VQIMIIECSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CCC[NH+](C)C)o1 ZINC001496476682 1101067548 /nfs/dbraw/zinc/06/75/48/1101067548.db2.gz BXVODGRCNYHRMR-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001495377443 1101096344 /nfs/dbraw/zinc/09/63/44/1101096344.db2.gz FLXJJPMOYHJPQD-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001446607465 1101105039 /nfs/dbraw/zinc/10/50/39/1101105039.db2.gz VIPQQTMJJSTCOV-TXPKVOOTSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCc3cccs3)CC2)C1 ZINC001495444671 1101158718 /nfs/dbraw/zinc/15/87/18/1101158718.db2.gz IJNDMWSWHNMJJI-QGZVFWFLSA-N 2 0 349.544 2.461 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446722935 1101292927 /nfs/dbraw/zinc/29/29/27/1101292927.db2.gz BRSVODCMHZEVOJ-ZIAGYGMSSA-N 2 0 349.441 2.292 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)C[NH+]1CCCC1 ZINC001496834949 1101564657 /nfs/dbraw/zinc/56/46/57/1101564657.db2.gz BUEHSJOLVIIIAU-UHFFFAOYSA-N 2 0 328.460 2.154 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(O)ccc1Cl ZINC001495811466 1101628433 /nfs/dbraw/zinc/62/84/33/1101628433.db2.gz DYEGINOOVIMRLB-ZDUSSCGKSA-N 2 0 341.883 2.228 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001497322739 1102322019 /nfs/dbraw/zinc/32/20/19/1102322019.db2.gz LRLSMEOVZRONCN-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1 ZINC001447270524 1102349883 /nfs/dbraw/zinc/34/98/83/1102349883.db2.gz REIQUVWMWYNHPL-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCCC(C)(C)C)C2)O1 ZINC001447390442 1102579418 /nfs/dbraw/zinc/57/94/18/1102579418.db2.gz YXIKBDLJLDRWPK-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001497601962 1102732834 /nfs/dbraw/zinc/73/28/34/1102732834.db2.gz VARMBXXMVPXFRT-WHLIDYPQSA-N 2 0 330.476 2.026 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CC2CC(F)(F)C2)CC1 ZINC001447556080 1102855162 /nfs/dbraw/zinc/85/51/62/1102855162.db2.gz LGYFCHPATVGKOE-UHFFFAOYSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001494130435 1103569194 /nfs/dbraw/zinc/56/91/94/1103569194.db2.gz CCXDLEZUSWDASV-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447907798 1103570145 /nfs/dbraw/zinc/57/01/45/1103570145.db2.gz KSCHMGHUSXJNOU-IAGOWNOFSA-N 2 0 346.519 2.493 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCCOC)C1 ZINC001494178099 1103651734 /nfs/dbraw/zinc/65/17/34/1103651734.db2.gz GNYSCNBZTAXKCW-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001448040281 1103869612 /nfs/dbraw/zinc/86/96/12/1103869612.db2.gz JYGNXOQIMJVPFQ-ZDUSSCGKSA-N 2 0 339.430 2.386 10 0 EEAERP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001448224547 1104210753 /nfs/dbraw/zinc/21/07/53/1104210753.db2.gz KKHYJJDXKIBNOU-SJORKVTESA-N 2 0 339.524 2.040 10 0 EEAERP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001494738048 1104321789 /nfs/dbraw/zinc/32/17/89/1104321789.db2.gz BURAKOSFZQLATH-IBGZPJMESA-N 2 0 344.503 2.347 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001494923786 1104566182 /nfs/dbraw/zinc/56/61/82/1104566182.db2.gz HYUXFXFAOJEFMN-QGZVFWFLSA-N 2 0 332.492 2.153 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@H](CC)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001494949602 1104593356 /nfs/dbraw/zinc/59/33/56/1104593356.db2.gz MSVPHYPDZNULAJ-CABCVRRESA-N 2 0 336.480 2.014 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccc(C)cc1 ZINC001494982066 1104625575 /nfs/dbraw/zinc/62/55/75/1104625575.db2.gz VRICTJHZSRVNSH-VQTJNVASSA-N 2 0 343.515 2.364 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1conc1C ZINC001495068711 1104707302 /nfs/dbraw/zinc/70/73/02/1104707302.db2.gz IRIQOWVZXUQUKW-SJORKVTESA-N 2 0 336.480 2.230 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001480652925 1106824089 /nfs/dbraw/zinc/82/40/89/1106824089.db2.gz KJQUTXDSISZOAF-KEMBLGFASA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)cc2C)CC[N@@H+]1C ZINC001498045528 1106830575 /nfs/dbraw/zinc/83/05/75/1106830575.db2.gz ZBZUNMDXVVSSRN-JCGIZDLHSA-N 2 0 335.467 2.459 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498525426 1107672776 /nfs/dbraw/zinc/67/27/76/1107672776.db2.gz AINDNGIJZPDUAS-IBGZPJMESA-N 2 0 340.471 2.267 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001493234705 1107737974 /nfs/dbraw/zinc/73/79/74/1107737974.db2.gz SEAYXWNCMHVOQJ-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001498607156 1107800593 /nfs/dbraw/zinc/80/05/93/1107800593.db2.gz UKPAVYOQIPCTOI-ZDUSSCGKSA-N 2 0 327.419 2.416 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262899 1107804091 /nfs/dbraw/zinc/80/40/91/1107804091.db2.gz IXGWOQYKYCSNJZ-MRXNPFEDSA-N 2 0 333.451 2.168 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001498736406 1107997917 /nfs/dbraw/zinc/99/79/17/1107997917.db2.gz QGTDNWLOZUTPOJ-SJORKVTESA-N 2 0 337.414 2.043 10 0 EEAERP O=C(NCC[N@@H+](Cc1ccc(CF)cc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001493436762 1108154968 /nfs/dbraw/zinc/15/49/68/1108154968.db2.gz XZPXFPKJZNVGBL-UHFFFAOYSA-N 2 0 345.462 2.333 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001498861264 1108237725 /nfs/dbraw/zinc/23/77/25/1108237725.db2.gz CEAZYGALNNOPKX-UXHICEINSA-N 2 0 343.515 2.228 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCCC(F)(F)F)C2CC2)C1 ZINC001498861493 1108238259 /nfs/dbraw/zinc/23/82/59/1108238259.db2.gz DMXZRXUIIBPKGY-UONOGXRCSA-N 2 0 335.414 2.155 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001498873665 1108257674 /nfs/dbraw/zinc/25/76/74/1108257674.db2.gz JFLFXMBVVXNXCG-KGLIPLIRSA-N 2 0 335.414 2.298 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)Cc1cncn1C ZINC001493760627 1108635689 /nfs/dbraw/zinc/63/56/89/1108635689.db2.gz DNXDKUSDVVFXKB-UHFFFAOYSA-N 2 0 338.814 2.003 10 0 EEAERP C[NH+](C)CCOc1ccc(CCC(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC001457654518 1109716608 /nfs/dbraw/zinc/71/66/08/1109716608.db2.gz WFBVCWNCWAFHAY-UHFFFAOYSA-N 2 0 335.492 2.064 10 0 EEAERP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001457656642 1109717127 /nfs/dbraw/zinc/71/71/27/1109717127.db2.gz JEGBTZJSECYDCZ-INIZCTEOSA-N 2 0 330.476 2.337 10 0 EEAERP C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001472116709 1110543965 /nfs/dbraw/zinc/54/39/65/1110543965.db2.gz UELKQCMPMVTYFV-WMZOPIPTSA-N 2 0 333.520 2.347 10 0 EEAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001472447715 1110556547 /nfs/dbraw/zinc/55/65/47/1110556547.db2.gz IGJGHCPSCXMNSB-MOPGFXCFSA-N 2 0 329.488 2.451 10 0 EEAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[Si](C)(C)c2ccccc2)CC1 ZINC001473481098 1110576126 /nfs/dbraw/zinc/57/61/26/1110576126.db2.gz YCGJVBPAYGCJRH-UHFFFAOYSA-N 2 0 334.580 2.214 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1)[NH+]1CCCC1 ZINC001479314418 1110679785 /nfs/dbraw/zinc/67/97/85/1110679785.db2.gz IJWVYTXHPOTKDL-KDYLLFBJSA-N 2 0 348.466 2.080 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001499535423 1112349171 /nfs/dbraw/zinc/34/91/71/1112349171.db2.gz IDHUPPSZFDJTMO-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC001502095350 1113585300 /nfs/dbraw/zinc/58/53/00/1113585300.db2.gz YIJLEUBGXUFSJI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001502125806 1113603292 /nfs/dbraw/zinc/60/32/92/1113603292.db2.gz KXKGVJFYPAUDKQ-ROUUACIJSA-N 2 0 341.540 2.216 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1C ZINC001502986349 1113867561 /nfs/dbraw/zinc/86/75/61/1113867561.db2.gz KKDCOVPUMJIAFO-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001505679926 1114127609 /nfs/dbraw/zinc/12/76/09/1114127609.db2.gz YJCGHKUSZNPYEU-ZIAGYGMSSA-N 2 0 332.448 2.152 10 0 EEAERP O=C(NC1(C[NH2+]C[C@H]2CCCCO2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001506523225 1114672152 /nfs/dbraw/zinc/67/21/52/1114672152.db2.gz SXKZHTVTIAPWIA-QGZVFWFLSA-N 2 0 349.519 2.060 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CCCCC(F)(F)F)CC1(C)C ZINC001506747294 1114860601 /nfs/dbraw/zinc/86/06/01/1114860601.db2.gz DYDVVFVNGRAGTM-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001506906566 1114964054 /nfs/dbraw/zinc/96/40/54/1114964054.db2.gz KLGJNQNSAPIOOG-SHTZXODSSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](CCC[NH2+]CCF)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001506923689 1114977158 /nfs/dbraw/zinc/97/71/58/1114977158.db2.gz RKDXLHMBZSLJSN-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001507074451 1115093782 /nfs/dbraw/zinc/09/37/82/1115093782.db2.gz UBHGKTAYZRYWSE-FXAWDEMLSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCOC1CCCCCC1 ZINC001507152549 1115136067 /nfs/dbraw/zinc/13/60/67/1115136067.db2.gz CYZXUWFIBMCAIV-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001507341366 1115204406 /nfs/dbraw/zinc/20/44/06/1115204406.db2.gz SOQQBSDSJLUVNW-CXAGYDPISA-N 2 0 339.430 2.384 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001508058665 1115406739 /nfs/dbraw/zinc/40/67/39/1115406739.db2.gz HAXYMBAUUFJLMQ-CEOUIICOSA-N 2 0 327.900 2.440 10 0 EEAERP COCCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001508082352 1115414942 /nfs/dbraw/zinc/41/49/42/1115414942.db2.gz GAEIERYMXVDJCM-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)c1 ZINC001508136613 1115425611 /nfs/dbraw/zinc/42/56/11/1115425611.db2.gz ZEJYZQZFYUYQNP-UHFFFAOYSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001543197897 1124124028 /nfs/dbraw/zinc/12/40/28/1124124028.db2.gz DWYASOVFAFXXKF-NVXWUHKLSA-N 2 0 346.523 2.134 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568060381 1124265894 /nfs/dbraw/zinc/26/58/94/1124265894.db2.gz LKMSRKIYISKPEU-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001568072204 1124277436 /nfs/dbraw/zinc/27/74/36/1124277436.db2.gz KKJPTDYTXWRYDZ-QGZVFWFLSA-N 2 0 332.492 2.142 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001568150414 1124327901 /nfs/dbraw/zinc/32/79/01/1124327901.db2.gz LSYWYFGREAPGBW-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568308576 1124415105 /nfs/dbraw/zinc/41/51/05/1124415105.db2.gz FFWVHTUTJPWCRR-CYBMUJFWSA-N 2 0 349.441 2.497 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001568346148 1124429509 /nfs/dbraw/zinc/42/95/09/1124429509.db2.gz ZSYOLDVGDSQSID-SZMVWBNQSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CCCCC2)C1 ZINC001568348556 1124430943 /nfs/dbraw/zinc/43/09/43/1124430943.db2.gz HNHXCMCMMDKZJM-FZZAOWMFSA-N 2 0 327.900 2.345 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001568412194 1124480842 /nfs/dbraw/zinc/48/08/42/1124480842.db2.gz OQTVWRYLWABZOS-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(N1CC[C@@H]2[C@H](CC[N@H+]2CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001568516282 1124581472 /nfs/dbraw/zinc/58/14/72/1124581472.db2.gz VIYVIEVFRSMIQO-IAGOWNOFSA-N 2 0 337.483 2.145 10 0 EEAERP CO[C@@H](C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001568674563 1124686819 /nfs/dbraw/zinc/68/68/19/1124686819.db2.gz QCTXVJFVFVPINH-APWZRJJASA-N 2 0 347.503 2.200 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001568699963 1124715506 /nfs/dbraw/zinc/71/55/06/1124715506.db2.gz JAYGGHMGWHFKMV-BEFAXECRSA-N 2 0 347.503 2.287 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001568791421 1124803107 /nfs/dbraw/zinc/80/31/07/1124803107.db2.gz IUEDBUBFFXNSNA-MRXNPFEDSA-N 2 0 327.419 2.243 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001568851373 1124870175 /nfs/dbraw/zinc/87/01/75/1124870175.db2.gz CDFBKLJMUWNRQC-GOVFWEMJSA-N 2 0 344.503 2.307 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568851536 1124872648 /nfs/dbraw/zinc/87/26/48/1124872648.db2.gz GIFDHEHJWOCKKG-YADGQWAMSA-N 2 0 341.499 2.407 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)cc1F ZINC001568861979 1124887211 /nfs/dbraw/zinc/88/72/11/1124887211.db2.gz CNGZWPZYYMFJES-PLNGDYQASA-N 2 0 333.451 2.380 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568866364 1124891831 /nfs/dbraw/zinc/89/18/31/1124891831.db2.gz SGHKADYVBYOYPG-OAJJDEHYSA-N 2 0 330.476 2.026 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cccc(Cl)n1)C12CCC[NH+]1CCC2 ZINC001568880158 1124905442 /nfs/dbraw/zinc/90/54/42/1124905442.db2.gz VOPXIRCRPXKURZ-OWOJBTEDSA-N 2 0 348.878 2.125 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568993470 1125026234 /nfs/dbraw/zinc/02/62/34/1125026234.db2.gz FCLWPXIWYGZHHQ-KZNAEPCWSA-N 2 0 347.503 2.198 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118341 1125109289 /nfs/dbraw/zinc/10/92/89/1125109289.db2.gz RIUQTPASEJUPIE-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001569203522 1125161888 /nfs/dbraw/zinc/16/18/88/1125161888.db2.gz WMGKGOUVLOJKSI-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]C[C@@H]2CC[C@H](C)O2)ccc2c[nH+]cn21 ZINC001569217508 1125172656 /nfs/dbraw/zinc/17/26/56/1125172656.db2.gz OGTMNKPOYBIBCI-YOEHRIQHSA-N 2 0 344.459 2.262 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC=C(Cl)Cl)C2CC2)CC[N@@H+]1C ZINC001569302998 1125219876 /nfs/dbraw/zinc/21/98/76/1125219876.db2.gz HCKUAXUQTSEQQH-RTXFEEFZSA-N 2 0 334.291 2.130 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001565873596 1125446007 /nfs/dbraw/zinc/44/60/07/1125446007.db2.gz GDNIXTYGSPYQDO-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP C[NH+](C)CCN1c2ccccc2C2(CC[NH+](CC3CC3)CC2)C1=O ZINC000096078905 282103778 /nfs/dbraw/zinc/10/37/78/282103778.db2.gz FTLFCLVRAVAOAI-UHFFFAOYSA-N 2 0 327.472 2.338 10 0 EEAERP C[N@H+](CCCCNC(=O)CC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000416246646 529883135 /nfs/dbraw/zinc/88/31/35/529883135.db2.gz NAHFHUXGEMLZKX-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP C[N@@H+](Cc1nnc(-c2ccc(F)cc2)o1)CC1CC[NH+](CCO)CC1 ZINC000069628558 203028724 /nfs/dbraw/zinc/02/87/24/203028724.db2.gz STWZWBGFEOCKDJ-UHFFFAOYSA-N 2 0 348.422 2.012 10 0 EEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000071188101 203087496 /nfs/dbraw/zinc/08/74/96/203087496.db2.gz SRVIQJQPTLVTGO-PWSUYJOCSA-N 2 0 332.311 2.394 10 0 EEAERP Cc1cc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000246770205 205231195 /nfs/dbraw/zinc/23/11/95/205231195.db2.gz ODUCWSZRVYGLIV-GJZGRUSLSA-N 2 0 335.496 2.300 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[NH+](C)C)cc1 ZINC000174383985 207015460 /nfs/dbraw/zinc/01/54/60/207015460.db2.gz YXWHTPBYLFGXBS-RTBURBONSA-N 2 0 342.487 2.253 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000116247347 152043787 /nfs/dbraw/zinc/04/37/87/152043787.db2.gz UMXSVYLJADYYGJ-QXAKKESOSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000249136808 160374816 /nfs/dbraw/zinc/37/48/16/160374816.db2.gz VOGXUQSEDSHZSZ-NSHGMRRFSA-N 2 0 337.552 2.418 10 0 EEAERP CCOCC[N@H+](CC)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245770446 160252089 /nfs/dbraw/zinc/25/20/89/160252089.db2.gz KIVQWUAVBQOJOW-MJGOQNOKSA-N 2 0 347.503 2.124 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246548976 160284298 /nfs/dbraw/zinc/28/42/98/160284298.db2.gz YBDOXLLCNNOEHR-OALUTQOASA-N 2 0 344.503 2.039 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000246836170 160296937 /nfs/dbraw/zinc/29/69/37/160296937.db2.gz BYCHNVBTHPUJAX-HUUCEWRRSA-N 2 0 339.505 2.441 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000247332502 160320734 /nfs/dbraw/zinc/32/07/34/160320734.db2.gz MTGBECNTNWOCOR-YJBOKZPZSA-N 2 0 348.466 2.136 10 0 EEAERP c1onc(Cc2ccccc2)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000339181456 160834621 /nfs/dbraw/zinc/83/46/21/160834621.db2.gz ANIKXJHXEDYRTH-UHFFFAOYSA-N 2 0 329.444 2.467 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)C[S@@](C)=O)CC1 ZINC000344296840 161215136 /nfs/dbraw/zinc/21/51/36/161215136.db2.gz NNZPEDSCUSXEHK-WAIKUNEKSA-N 2 0 337.533 2.075 10 0 EEAERP CC[C@](C)(O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352895969 162337252 /nfs/dbraw/zinc/33/72/52/162337252.db2.gz GNEWYXMUNIHOJT-UXHICEINSA-N 2 0 331.504 2.040 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000364858364 165296278 /nfs/dbraw/zinc/29/62/78/165296278.db2.gz LYQKNBBWYIHDBL-VAMGGRTRSA-N 2 0 337.552 2.445 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000376784902 167392340 /nfs/dbraw/zinc/39/23/40/167392340.db2.gz RBRWZLJOXPQIPA-WBVHZDCISA-N 2 0 342.487 2.348 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000279123423 269263793 /nfs/dbraw/zinc/26/37/93/269263793.db2.gz DCYHVNRUGZBZLE-NEPXVJNWSA-N 2 0 329.488 2.353 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)[C@H](C)C1 ZINC000177127448 276224486 /nfs/dbraw/zinc/22/44/86/276224486.db2.gz XKBVVPGPQKAPEP-DYVFJYSZSA-N 2 0 336.455 2.399 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000097395087 277435918 /nfs/dbraw/zinc/43/59/18/277435918.db2.gz MSOYZYIBIJFUNJ-RBUKOAKNSA-N 2 0 348.535 2.435 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000177861257 279038936 /nfs/dbraw/zinc/03/89/36/279038936.db2.gz RJCYBYWVJMFKRC-MOPGFXCFSA-N 2 0 346.519 2.143 10 0 EEAERP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000248973172 295311118 /nfs/dbraw/zinc/31/11/18/295311118.db2.gz DBLLUNCVACUQLL-QDEZUTFSSA-N 2 0 337.414 2.044 10 0 EEAERP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000333506903 312158087 /nfs/dbraw/zinc/15/80/87/312158087.db2.gz DYPZEHQJTYVVEL-KRWDZBQOSA-N 2 0 341.459 2.254 10 0 EEAERP C[C@@H](CCn1cccn1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414299670 312993867 /nfs/dbraw/zinc/99/38/67/312993867.db2.gz IEDBBXKZYQKUNQ-SFHVURJKSA-N 2 0 342.487 2.278 10 0 EEAERP Cc1ccccc1CC(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414700022 313066538 /nfs/dbraw/zinc/06/65/38/313066538.db2.gz UMAKRWRKBKPKBT-ROUUACIJSA-N 2 0 329.488 2.070 10 0 EEAERP [NH3+][C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416811842 313322548 /nfs/dbraw/zinc/32/25/48/313322548.db2.gz DCARQVJYYFLQJJ-SJORKVTESA-N 2 0 342.443 2.416 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416887505 313349574 /nfs/dbraw/zinc/34/95/74/313349574.db2.gz IDNBRQDXTIKVGV-YJBOKZPZSA-N 2 0 330.476 2.304 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000416980996 313381593 /nfs/dbraw/zinc/38/15/93/313381593.db2.gz KLSNWBWMFLIQCH-OALUTQOASA-N 2 0 344.503 2.422 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000417933785 313656209 /nfs/dbraw/zinc/65/62/09/313656209.db2.gz OWOZFVDFYCUCLX-IIIMJFFVSA-N 2 0 336.524 2.138 10 0 EEAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418765668 313902755 /nfs/dbraw/zinc/90/27/55/313902755.db2.gz LZSBLTYGUKMBAS-MGMWPHTOSA-N 2 0 336.524 2.155 10 0 EEAERP CN(CCC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000541852295 318111335 /nfs/dbraw/zinc/11/13/35/318111335.db2.gz RRYZIGJJFDNPIP-MRXNPFEDSA-N 2 0 332.473 2.389 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641093 318164714 /nfs/dbraw/zinc/16/47/14/318164714.db2.gz YCFLOCGGVSEEJW-AEFFLSMTSA-N 2 0 332.492 2.415 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563581308 319025126 /nfs/dbraw/zinc/02/51/26/319025126.db2.gz DWNMGCPYHZUVMB-LJQANCHMSA-N 2 0 336.524 2.428 10 0 EEAERP CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000564931314 319129799 /nfs/dbraw/zinc/12/97/99/319129799.db2.gz FSYJKBRKKDOJCI-PMPSAXMXSA-N 2 0 325.403 2.342 10 0 EEAERP C[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000565823645 319217596 /nfs/dbraw/zinc/21/75/96/319217596.db2.gz OENSAFNAUDPCRT-QAPCUYQASA-N 2 0 329.488 2.286 10 0 EEAERP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)C[NH2+]C ZINC000576351068 320164380 /nfs/dbraw/zinc/16/43/80/320164380.db2.gz QHKCABGCSVQICB-BXWFABGCSA-N 2 0 346.519 2.304 10 0 EEAERP CCCCC1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000581535745 324274202 /nfs/dbraw/zinc/27/42/02/324274202.db2.gz SWQPUXWMJAGADB-ACBHZAAOSA-N 2 0 325.541 2.181 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000341269652 465085239 /nfs/dbraw/zinc/08/52/39/465085239.db2.gz MBPNAKJUAJNYNY-AEFFLSMTSA-N 2 0 342.487 2.312 10 0 EEAERP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccccc1 ZINC000013732779 462902446 /nfs/dbraw/zinc/90/24/46/462902446.db2.gz AVJGVQWQTWEELP-UHFFFAOYSA-N 2 0 344.455 2.336 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553162996 468352578 /nfs/dbraw/zinc/35/25/78/468352578.db2.gz BRLGXMGQEBXWPI-MJGOQNOKSA-N 2 0 329.488 2.309 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151309 463485631 /nfs/dbraw/zinc/48/56/31/463485631.db2.gz FHKHYSKGDIDODY-LEWJYISDSA-N 2 0 345.531 2.430 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000170834938 463718874 /nfs/dbraw/zinc/71/88/74/463718874.db2.gz VQPJVABOAVDAQD-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863086 463724753 /nfs/dbraw/zinc/72/47/53/463724753.db2.gz TWWDXNBNNCWCRM-MSOLQXFVSA-N 2 0 332.492 2.415 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185400213 463815989 /nfs/dbraw/zinc/81/59/89/463815989.db2.gz BDXNLMFUTIBZTD-IAGOWNOFSA-N 2 0 326.529 2.338 10 0 EEAERP CC[C@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171631391 463895847 /nfs/dbraw/zinc/89/58/47/463895847.db2.gz ZWBAJQBPBBZHLM-MOPGFXCFSA-N 2 0 348.487 2.315 10 0 EEAERP CN(Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261922819 463901423 /nfs/dbraw/zinc/90/14/23/463901423.db2.gz KQCPTGHWVQFCKZ-CVEARBPZSA-N 2 0 334.533 2.429 10 0 EEAERP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)C2)cc1 ZINC000261990137 463919238 /nfs/dbraw/zinc/91/92/38/463919238.db2.gz SOERYJQQVYTFFT-XWPNQZOQSA-N 2 0 347.478 2.399 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898045 463944490 /nfs/dbraw/zinc/94/44/90/463944490.db2.gz JLSRUHABOZMMJG-CVEARBPZSA-N 2 0 348.516 2.375 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000278856713 463999119 /nfs/dbraw/zinc/99/91/19/463999119.db2.gz XKSXAKYZBVTSIX-SFHVURJKSA-N 2 0 329.419 2.386 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279228377 464071140 /nfs/dbraw/zinc/07/11/40/464071140.db2.gz YGWKUGUDAHGVEX-UHFFFAOYSA-N 2 0 341.503 2.380 10 0 EEAERP C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000237399305 464313800 /nfs/dbraw/zinc/31/38/00/464313800.db2.gz LCDLPYGHSWALSX-QRQLOZEOSA-N 2 0 331.504 2.301 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173928293 464333112 /nfs/dbraw/zinc/33/31/12/464333112.db2.gz MIKPLMBBWBCQSF-DLBZAZTESA-N 2 0 344.459 2.072 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264476992 464342382 /nfs/dbraw/zinc/34/23/82/464342382.db2.gz HEPXQGNRBLFSHH-KRWDZBQOSA-N 2 0 345.487 2.327 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000174521175 464417732 /nfs/dbraw/zinc/41/77/32/464417732.db2.gz ZWFSLXQPJVBBJD-AYHJJNSGSA-N 2 0 336.524 2.423 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000281589540 464513952 /nfs/dbraw/zinc/51/39/52/464513952.db2.gz XERDCVKSRQFRLS-CHWSQXEVSA-N 2 0 333.407 2.274 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246542122 464597483 /nfs/dbraw/zinc/59/74/83/464597483.db2.gz WMGCTERNLCXWKU-KZNAEPCWSA-N 2 0 338.540 2.479 10 0 EEAERP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000182311308 464624493 /nfs/dbraw/zinc/62/44/93/464624493.db2.gz OSNYWEODZYFNJU-MJGOQNOKSA-N 2 0 347.503 2.119 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000266840885 464841810 /nfs/dbraw/zinc/84/18/10/464841810.db2.gz VGWTXSFUQMPTSY-UHFFFAOYSA-N 2 0 348.491 2.229 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000249748760 464911412 /nfs/dbraw/zinc/91/14/12/464911412.db2.gz BJTHKXCTLIQHQM-IAGOWNOFSA-N 2 0 336.455 2.212 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000362226612 465587198 /nfs/dbraw/zinc/58/71/98/465587198.db2.gz JBJMAPQYDFMFIK-KRWDZBQOSA-N 2 0 347.503 2.431 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000339939492 465618976 /nfs/dbraw/zinc/61/89/76/465618976.db2.gz CPSJNPRWGOKXQG-SJLPKXTDSA-N 2 0 334.508 2.189 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)(N2CCCCC2)CC1 ZINC000353523842 465952369 /nfs/dbraw/zinc/95/23/69/465952369.db2.gz CENISTFGDAOKMO-ZCNNSNEGSA-N 2 0 348.579 2.399 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc(C2CC2)nc1C ZINC000353806342 466165204 /nfs/dbraw/zinc/16/52/04/466165204.db2.gz HVZMRHCGHABMPL-INIZCTEOSA-N 2 0 348.491 2.349 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000349831867 466262125 /nfs/dbraw/zinc/26/21/25/466262125.db2.gz VYTYVDZDLDUSLU-HNNXBMFYSA-N 2 0 345.516 2.321 10 0 EEAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338791746 466380375 /nfs/dbraw/zinc/38/03/75/466380375.db2.gz REVZTIPZOSSWNM-WNHJNPCNSA-N 2 0 329.488 2.356 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000358162232 466506204 /nfs/dbraw/zinc/50/62/04/466506204.db2.gz GKXMIULDTBEPFB-HDICACEKSA-N 2 0 336.524 2.306 10 0 EEAERP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310551680 466516953 /nfs/dbraw/zinc/51/69/53/466516953.db2.gz WSPAICDLOVGOCC-ZWKOTPCHSA-N 2 0 329.488 2.498 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000358191258 466527929 /nfs/dbraw/zinc/52/79/29/466527929.db2.gz OTHHLTZFLRTPAE-UHFFFAOYSA-N 2 0 348.466 2.209 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000358201134 466535906 /nfs/dbraw/zinc/53/59/06/466535906.db2.gz SYCKMKDMINYSDM-GOSISDBHSA-N 2 0 348.466 2.380 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000372731804 466561535 /nfs/dbraw/zinc/56/15/35/466561535.db2.gz JXYQHPBQZSELDY-IBGZPJMESA-N 2 0 327.472 2.348 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C[C@@H]1C ZINC000415964702 466717641 /nfs/dbraw/zinc/71/76/41/466717641.db2.gz YCSOIVJYADMLNR-STQMWFEESA-N 2 0 334.439 2.418 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417049518 466765680 /nfs/dbraw/zinc/76/56/80/466765680.db2.gz UIPCUQHPDCTYED-WMZOPIPTSA-N 2 0 332.492 2.498 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417323296 466834093 /nfs/dbraw/zinc/83/40/93/466834093.db2.gz GUCSBLIFPWHKOJ-ZWKOTPCHSA-N 2 0 346.519 2.320 10 0 EEAERP C[NH2+]CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417584595 466888319 /nfs/dbraw/zinc/88/83/19/466888319.db2.gz MZCBFOIHDLYLFE-AYHJJNSGSA-N 2 0 330.476 2.091 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417666110 466904052 /nfs/dbraw/zinc/90/40/52/466904052.db2.gz FCMWEKFWNMMGTH-CEXWTWQISA-N 2 0 342.487 2.044 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417913593 466983313 /nfs/dbraw/zinc/98/33/13/466983313.db2.gz QTVJVHYWUMURPH-MJGOQNOKSA-N 2 0 336.524 2.140 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418137538 467056314 /nfs/dbraw/zinc/05/63/14/467056314.db2.gz SXKCHSCGEFONJL-VEZWFGLTSA-N 2 0 334.508 2.034 10 0 EEAERP C[C@@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418667320 467143342 /nfs/dbraw/zinc/14/33/42/467143342.db2.gz FGYAKSYJDAOBPV-FUHWJXTLSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418720986 467149886 /nfs/dbraw/zinc/14/98/86/467149886.db2.gz KEDVMQVFMQQSCQ-BXWFABGCSA-N 2 0 330.476 2.030 10 0 EEAERP Cc1nccnc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397612985 467443574 /nfs/dbraw/zinc/44/35/74/467443574.db2.gz FUBOEJPNDDBOBD-QGZVFWFLSA-N 2 0 340.471 2.463 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398087029 467447560 /nfs/dbraw/zinc/44/75/60/467447560.db2.gz UPXIWPXLUDAGKC-QRQLOZEOSA-N 2 0 329.488 2.403 10 0 EEAERP Fc1ccc(CC[NH+]2CCC(N[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000415007529 467466530 /nfs/dbraw/zinc/46/65/30/467466530.db2.gz UYAOICPAPFAONO-KRWDZBQOSA-N 2 0 341.421 2.419 10 0 EEAERP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000454481208 467595978 /nfs/dbraw/zinc/59/59/78/467595978.db2.gz IFSVCRBLUJNKBL-UXDRXVOSSA-N 2 0 344.503 2.431 10 0 EEAERP C[C@@H](Cc1ccoc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000449216462 467624052 /nfs/dbraw/zinc/62/40/52/467624052.db2.gz SMIPPBDYXUNKMY-LPHOPBHVSA-N 2 0 343.471 2.089 10 0 EEAERP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000449228130 467624475 /nfs/dbraw/zinc/62/44/75/467624475.db2.gz XKRKYTXOBPILBO-HNNXBMFYSA-N 2 0 329.444 2.292 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000449745821 467705138 /nfs/dbraw/zinc/70/51/38/467705138.db2.gz PCARGMOZNZALAE-UHFFFAOYSA-N 2 0 331.464 2.175 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000450623717 467881454 /nfs/dbraw/zinc/88/14/54/467881454.db2.gz NGVGKKUIAUIALZ-JQKXYWIWSA-N 2 0 348.579 2.492 10 0 EEAERP COc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000530217510 467964582 /nfs/dbraw/zinc/96/45/82/467964582.db2.gz BXDJSGOTGPKTLI-YLJYHZDGSA-N 2 0 339.439 2.478 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000489076330 468119177 /nfs/dbraw/zinc/11/91/77/468119177.db2.gz MEFIWXCDXLTSGE-HXUWFJFHSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000582953467 468621380 /nfs/dbraw/zinc/62/13/80/468621380.db2.gz DRDCOHLCKMWAQI-MJGOQNOKSA-N 2 0 336.524 2.282 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000558033953 468662463 /nfs/dbraw/zinc/66/24/63/468662463.db2.gz SWOOBARLLZTKGA-HXUWFJFHSA-N 2 0 342.487 2.161 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000595016537 468744167 /nfs/dbraw/zinc/74/41/67/468744167.db2.gz LKOCFAJHZMDLQO-HNNXBMFYSA-N 2 0 328.497 2.179 10 0 EEAERP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000584519045 468890322 /nfs/dbraw/zinc/89/03/22/468890322.db2.gz SJPPPHWVYZCDGC-APWZRJJASA-N 2 0 344.503 2.470 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000563169859 469187406 /nfs/dbraw/zinc/18/74/06/469187406.db2.gz MZRPTQODWLIMKR-FQEVSTJZSA-N 2 0 335.451 2.073 10 0 EEAERP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000573701268 469189406 /nfs/dbraw/zinc/18/94/06/469189406.db2.gz JSZPEXLUCKKUQT-TVPLGVNVSA-N 2 0 342.487 2.190 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000629568937 469582681 /nfs/dbraw/zinc/58/26/81/469582681.db2.gz MZIFXGXBQVHSNP-UHFFFAOYSA-N 2 0 331.254 2.126 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629656400 469600108 /nfs/dbraw/zinc/60/01/08/469600108.db2.gz OGRFISZJNJTZDF-QWRGUYRKSA-N 2 0 328.254 2.330 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)C1 ZINC000623564002 469694458 /nfs/dbraw/zinc/69/44/58/469694458.db2.gz PFDGTMJTKWPDRY-SFHVURJKSA-N 2 0 336.439 2.419 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000626957747 469768897 /nfs/dbraw/zinc/76/88/97/469768897.db2.gz YPJBSIUYUOYWJD-XJKSGUPXSA-N 2 0 336.505 2.010 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[NH2+]1 ZINC000627017024 469791445 /nfs/dbraw/zinc/79/14/45/469791445.db2.gz YGEUPXXRZWOLJO-YVWKXTFCSA-N 2 0 344.503 2.481 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000627243871 469855523 /nfs/dbraw/zinc/85/55/23/469855523.db2.gz XQDQAZNSWXYDMH-ILZDJORESA-N 2 0 342.487 2.044 10 0 EEAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000620904682 469946208 /nfs/dbraw/zinc/94/62/08/469946208.db2.gz WQPFITXFSWAWQW-QXAKKESOSA-N 2 0 329.488 2.498 10 0 EEAERP CCOc1cncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000621369547 470038945 /nfs/dbraw/zinc/03/89/45/470038945.db2.gz QAOMUMGCMXSNKE-UHFFFAOYSA-N 2 0 333.476 2.461 10 0 EEAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631086182 470065597 /nfs/dbraw/zinc/06/55/97/470065597.db2.gz UCUCEZPGYINKDK-SFHVURJKSA-N 2 0 349.523 2.162 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631155984 470081671 /nfs/dbraw/zinc/08/16/71/470081671.db2.gz YQXWKWSOKQUBFW-UHFFFAOYSA-N 2 0 333.524 2.189 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634699926 470281174 /nfs/dbraw/zinc/28/11/74/470281174.db2.gz QPGXQHBOALMESG-NBMJBFSESA-N 2 0 326.525 2.246 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634699928 470281229 /nfs/dbraw/zinc/28/12/29/470281229.db2.gz QPGXQHBOALMESG-UKBAYJJMSA-N 2 0 326.525 2.246 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)CC[N@@H+]1C ZINC000633491564 470483627 /nfs/dbraw/zinc/48/36/27/470483627.db2.gz BNESWOLXQDTOLB-VNTMZGSJSA-N 2 0 341.499 2.450 10 0 EEAERP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000647001695 470801848 /nfs/dbraw/zinc/80/18/48/470801848.db2.gz PAYIPTRUZRUGOP-HUUCEWRRSA-N 2 0 342.447 2.167 10 0 EEAERP CNC(=O)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1C ZINC000647313074 470880967 /nfs/dbraw/zinc/88/09/67/470880967.db2.gz KEPBJUYRIBMHPE-CRAIPNDOSA-N 2 0 349.494 2.359 10 0 EEAERP Cn1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2cccnc2)n1 ZINC000647480172 470911249 /nfs/dbraw/zinc/91/12/49/470911249.db2.gz DRCYZAIWXIVHHY-FUHWJXTLSA-N 2 0 325.460 2.446 10 0 EEAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000650719254 470949692 /nfs/dbraw/zinc/94/96/92/470949692.db2.gz JNKJFMJXFDCWDG-HNNXBMFYSA-N 2 0 332.469 2.358 10 0 EEAERP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000647793203 470985570 /nfs/dbraw/zinc/98/55/70/470985570.db2.gz PIRRWENLDHQQDD-XOUADPBQSA-N 2 0 339.277 2.460 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654503023 471043200 /nfs/dbraw/zinc/04/32/00/471043200.db2.gz ZPFIMWLOOKNPFS-HIEASXQVSA-N 2 0 336.524 2.423 10 0 EEAERP CC(C)C(=O)N1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657306127 471091266 /nfs/dbraw/zinc/09/12/66/471091266.db2.gz RGZGJROOXXJMAZ-UHFFFAOYSA-N 2 0 327.432 2.004 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cc2cnccc2o1)C(=O)NCC[NH+](C)C ZINC000651746220 471102159 /nfs/dbraw/zinc/10/21/59/471102159.db2.gz JSSUYKFRNAWSOT-INIZCTEOSA-N 2 0 332.448 2.010 10 0 EEAERP CSc1cccnc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000651328248 471131878 /nfs/dbraw/zinc/13/18/78/471131878.db2.gz TUUDUQGLWOACSB-UHFFFAOYSA-N 2 0 338.521 2.149 10 0 EEAERP COCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000657597314 471181458 /nfs/dbraw/zinc/18/14/58/471181458.db2.gz TWVCKYHLDRWCKY-KRWDZBQOSA-N 2 0 330.428 2.282 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652148057 471244831 /nfs/dbraw/zinc/24/48/31/471244831.db2.gz LXOINIRIFBEMFG-OKILXGFUSA-N 2 0 336.455 2.347 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000641247942 471252110 /nfs/dbraw/zinc/25/21/10/471252110.db2.gz SANKUMMMOJSNKJ-FUHWJXTLSA-N 2 0 336.524 2.282 10 0 EEAERP CO[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000658075370 471264543 /nfs/dbraw/zinc/26/45/43/471264543.db2.gz XKJSWVXMFPGADZ-HHXXYDBFSA-N 2 0 336.476 2.329 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1nc2ccccc2n1C ZINC000658107704 471266331 /nfs/dbraw/zinc/26/63/31/471266331.db2.gz NKBVISXCSMTGLB-JKSUJKDBSA-N 2 0 331.508 2.496 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000652288072 471267040 /nfs/dbraw/zinc/26/70/40/471267040.db2.gz SBWWHIPOJGDFHB-MAUKXSAKSA-N 2 0 332.492 2.278 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000655154532 471273939 /nfs/dbraw/zinc/27/39/39/471273939.db2.gz WRJJJMSBOIOFEJ-YTQUADARSA-N 2 0 327.472 2.061 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655443262 471326513 /nfs/dbraw/zinc/32/65/13/471326513.db2.gz OUQIVYCJWGPIHZ-ICSRJNTNSA-N 2 0 327.472 2.288 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487650 471347246 /nfs/dbraw/zinc/34/72/46/471347246.db2.gz KDRBETCDWYCVFI-CBZIJGRNSA-N 2 0 347.503 2.327 10 0 EEAERP CC1CC[NH+](Cc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000669115301 471385051 /nfs/dbraw/zinc/38/50/51/471385051.db2.gz GSGCVDATQRLKSA-IHWYPQMZSA-N 2 0 330.476 2.233 10 0 EEAERP CN(C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000666664404 471487838 /nfs/dbraw/zinc/48/78/38/471487838.db2.gz DFIPNLIEUAHDPM-YJBOKZPZSA-N 2 0 334.508 2.272 10 0 EEAERP CC(C)(CC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000655939688 471550353 /nfs/dbraw/zinc/55/03/53/471550353.db2.gz JJKXNSKFPUYMFM-IAGOWNOFSA-N 2 0 334.508 2.033 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380138 471598600 /nfs/dbraw/zinc/59/86/00/471598600.db2.gz AQWXWPQBVURRQQ-YTQUADARSA-N 2 0 341.499 2.403 10 0 EEAERP CC(C)Oc1ccc2[nH+]ccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000656219173 471638591 /nfs/dbraw/zinc/63/85/91/471638591.db2.gz MSFSQKFIEANPRO-LSDHHAIUSA-N 2 0 327.428 2.277 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000659493153 471654724 /nfs/dbraw/zinc/65/47/24/471654724.db2.gz QWFGEMSWACMZDD-JQHSSLGASA-N 2 0 332.492 2.322 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000659624857 471702380 /nfs/dbraw/zinc/70/23/80/471702380.db2.gz ZCMZLDKXZNUKAJ-ZWKOTPCHSA-N 2 0 332.492 2.276 10 0 EEAERP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468472 471725657 /nfs/dbraw/zinc/72/56/57/471725657.db2.gz MGNHIGYWZMWAOM-QZTJIDSGSA-N 2 0 325.460 2.267 10 0 EEAERP FC1(F)C[C@H]1OCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000656473994 471727327 /nfs/dbraw/zinc/72/73/27/471727327.db2.gz VTRFYOSTMLTSGO-GFCCVEGCSA-N 2 0 332.314 2.047 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000667432500 471776879 /nfs/dbraw/zinc/77/68/79/471776879.db2.gz GBUWVHFIXFLQQV-HNNXBMFYSA-N 2 0 344.434 2.244 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664630182 471816959 /nfs/dbraw/zinc/81/69/59/471816959.db2.gz QPCAELBVLBYWEF-SOLBZPMBSA-N 2 0 336.524 2.375 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654411859 471949082 /nfs/dbraw/zinc/94/90/82/471949082.db2.gz SGRCTELAIWGSLL-HDICACEKSA-N 2 0 332.492 2.278 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665366012 472021332 /nfs/dbraw/zinc/02/13/32/472021332.db2.gz PSTFHLGLJZPTEM-QGZVFWFLSA-N 2 0 347.507 2.028 10 0 EEAERP CCC[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000662281146 472054314 /nfs/dbraw/zinc/05/43/14/472054314.db2.gz UDLIURKZRFZPHP-PMACEKPBSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662397473 472096478 /nfs/dbraw/zinc/09/64/78/472096478.db2.gz FCRRZUOUOCDTKF-INIZCTEOSA-N 2 0 343.496 2.297 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000662430860 472106684 /nfs/dbraw/zinc/10/66/84/472106684.db2.gz VHLONTQOGNRPEE-LBPRGKRZSA-N 2 0 328.416 2.091 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000662514563 472135684 /nfs/dbraw/zinc/13/56/84/472135684.db2.gz OUWRVFYMCAUIPG-HCXYKTFWSA-N 2 0 343.471 2.217 10 0 EEAERP CC(C)[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[NH+]1CCC(C)CC1 ZINC000662679400 472201758 /nfs/dbraw/zinc/20/17/58/472201758.db2.gz NUTPBHQIHPDOCA-AWEZNQCLSA-N 2 0 336.480 2.355 10 0 EEAERP C[NH2+]CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662759529 472239174 /nfs/dbraw/zinc/23/91/74/472239174.db2.gz SGRJUIGKKNFUEM-IBGZPJMESA-N 2 0 329.488 2.355 10 0 EEAERP COCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000683848792 485661702 /nfs/dbraw/zinc/66/17/02/485661702.db2.gz SCDKCODRZPYFNU-IBGZPJMESA-N 2 0 348.487 2.399 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626955114 485694881 /nfs/dbraw/zinc/69/48/81/485694881.db2.gz UBFDDYLTOSBWGL-CEXWTWQISA-N 2 0 344.503 2.338 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000675892047 486090302 /nfs/dbraw/zinc/09/03/02/486090302.db2.gz WLAVCJJTPGOSIG-RHSMWYFYSA-N 2 0 340.431 2.215 10 0 EEAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000124783526 490644226 /nfs/dbraw/zinc/64/42/26/490644226.db2.gz QOHXSQXQVHEFQE-GOSISDBHSA-N 3 0 336.568 2.257 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCC3)cc2)CC1 ZINC000438509829 535745287 /nfs/dbraw/zinc/74/52/87/535745287.db2.gz BDTNZMBQWRCVPW-UHFFFAOYSA-N 2 0 344.503 2.043 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000764605974 577739821 /nfs/dbraw/zinc/73/98/21/577739821.db2.gz IFVGZSMPSJJDDA-IEBWSBKVSA-N 2 0 329.488 2.499 10 0 EEAERP C/C=C(/CC)C[NH+]1CCN(c2cc(N)nc(N3CCCC3)n2)CC1 ZINC000096758989 681873188 /nfs/dbraw/zinc/87/31/88/681873188.db2.gz FEPYTGAFJQPEJP-CQPUUCJISA-N 2 0 330.480 2.137 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000895457650 684606538 /nfs/dbraw/zinc/60/65/38/684606538.db2.gz HXNQFNMWKZTVDH-KRWDZBQOSA-N 2 0 328.460 2.216 10 0 EEAERP COc1ccc(CN(CCO)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000895711756 684693907 /nfs/dbraw/zinc/69/39/07/684693907.db2.gz VNIVRJRKZCTYEY-UHFFFAOYSA-N 2 0 338.411 2.270 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000897240407 686310020 /nfs/dbraw/zinc/31/00/20/686310020.db2.gz HIJZUXGSVWJGCY-SJORKVTESA-N 2 0 326.444 2.488 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCN2CCC([NH+](C)C)CC2)n(C)n1 ZINC000925217069 687582828 /nfs/dbraw/zinc/58/28/28/687582828.db2.gz WLDYPCYMCKTLIK-FXAWDEMLSA-N 2 0 347.551 2.055 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897574294 691634695 /nfs/dbraw/zinc/63/46/95/691634695.db2.gz BMMXDRVAGRINDA-QYZOEREBSA-N 2 0 344.503 2.067 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)CC[N@@H+]1C ZINC000899048241 693584414 /nfs/dbraw/zinc/58/44/14/693584414.db2.gz YHYCDXZPWUWDNP-SWLSCSKDSA-N 2 0 349.866 2.380 10 0 EEAERP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000899180689 693643618 /nfs/dbraw/zinc/64/36/18/693643618.db2.gz ZPIJXJMSQDLGLJ-OKYOBFRVSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCc2ccccc2)C1 ZINC001485532461 1191829547 /nfs/dbraw/zinc/82/95/47/1191829547.db2.gz HFVPOIQTXQAWCV-IEBWSBKVSA-N 2 0 343.515 2.398 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC001485627440 1191867672 /nfs/dbraw/zinc/86/76/72/1191867672.db2.gz NPCMAIQXJASTNP-HAGHYFMRSA-N 2 0 339.483 2.064 10 0 EEAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001485646886 1191878277 /nfs/dbraw/zinc/87/82/77/1191878277.db2.gz MIFDPXNYHPAUEA-RDJZCZTQSA-N 2 0 346.475 2.048 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccnc1C ZINC001485751103 1191932083 /nfs/dbraw/zinc/93/20/83/1191932083.db2.gz IIGNDQDTVPRMIU-CRAIPNDOSA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nccnc1C ZINC001485751104 1191932158 /nfs/dbraw/zinc/93/21/58/1191932158.db2.gz IIGNDQDTVPRMIU-MAUKXSAKSA-N 2 0 347.507 2.034 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC001266495799 1176640150 /nfs/dbraw/zinc/64/01/50/1176640150.db2.gz VKNRNSADCSUWLL-OAHLLOKOSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1c(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)C2CC2)ccc2c[nH+]cn21 ZINC001670491286 1176830633 /nfs/dbraw/zinc/83/06/33/1176830633.db2.gz WDYKSHFSPYBMCR-SJCJKPOMSA-N 2 0 332.423 2.489 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001266795138 1177443123 /nfs/dbraw/zinc/44/31/23/1177443123.db2.gz CUYVKIFGDQFQEP-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001691177758 1177677364 /nfs/dbraw/zinc/67/73/64/1177677364.db2.gz HFDKGEFLGZNZNO-HDJSIYSDSA-N 2 0 347.425 2.299 10 0 EEAERP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001267040527 1178136381 /nfs/dbraw/zinc/13/63/81/1178136381.db2.gz FAEZQDMLBOJUHD-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCc3ccc(Cl)cc3)C2)C1 ZINC001267068956 1178184334 /nfs/dbraw/zinc/18/43/34/1178184334.db2.gz MCVIKZHQUASDNI-DLBZAZTESA-N 2 0 349.906 2.272 10 0 EEAERP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)CCC[NH+]1CCCCC1 ZINC001267089553 1178216416 /nfs/dbraw/zinc/21/64/16/1178216416.db2.gz IZCGHTZJHYXYER-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267113675 1178273295 /nfs/dbraw/zinc/27/32/95/1178273295.db2.gz PYPPBAITHNGIOG-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](Cc2ccccc2F)CC1 ZINC001279621997 1178622268 /nfs/dbraw/zinc/62/22/68/1178622268.db2.gz NGAFNXMYOSTPJK-UHFFFAOYSA-N 2 0 333.451 2.416 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC[C@@H]1CCCCO1 ZINC001267393490 1178964133 /nfs/dbraw/zinc/96/41/33/1178964133.db2.gz IPARCHWRGPMARS-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncsc1C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001267514016 1179231076 /nfs/dbraw/zinc/23/10/76/1179231076.db2.gz IRTKSVNBNIVYHY-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481111244 1179762347 /nfs/dbraw/zinc/76/23/47/1179762347.db2.gz BQIPNELYGMFEEQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC001481245093 1180433994 /nfs/dbraw/zinc/43/39/94/1180433994.db2.gz CWBCWUSEACZRAT-HKUYNNGSSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001267938437 1180793546 /nfs/dbraw/zinc/79/35/46/1180793546.db2.gz WNUPIVVGZPAFHS-BEFAXECRSA-N 2 0 347.478 2.482 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CCc2ccccc2F)CC1 ZINC001481294599 1180935505 /nfs/dbraw/zinc/93/55/05/1180935505.db2.gz BWTWTMDWMMLGOV-UHFFFAOYSA-N 2 0 335.467 2.148 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315234 1181011261 /nfs/dbraw/zinc/01/12/61/1181011261.db2.gz SXVBHFXZIOYERI-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCOCC)CC1 ZINC001481332730 1181053321 /nfs/dbraw/zinc/05/33/21/1181053321.db2.gz DHIDKLFJVLVVBY-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)sn1 ZINC001481508210 1181593891 /nfs/dbraw/zinc/59/38/91/1181593891.db2.gz INHVKZBJXRKIMD-OAHLLOKOSA-N 2 0 338.521 2.072 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001268096194 1181737403 /nfs/dbraw/zinc/73/74/03/1181737403.db2.gz ZRPCFBYDFDTWHH-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cs1 ZINC001268108770 1181753776 /nfs/dbraw/zinc/75/37/76/1181753776.db2.gz DQZQMWZGDZAHLI-CZUORRHYSA-N 2 0 340.537 2.017 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccccc1)[NH+](C)C ZINC001481681435 1182195364 /nfs/dbraw/zinc/19/53/64/1182195364.db2.gz JWZKQABFJQMPCN-JENIJYKNSA-N 2 0 345.487 2.081 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369310 1182355251 /nfs/dbraw/zinc/35/52/51/1182355251.db2.gz VEPCWTUYZTVMOE-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424405 1182590743 /nfs/dbraw/zinc/59/07/43/1182590743.db2.gz UTFOUDNKBBPEOK-UKRRQHHQSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cnc(C)o1 ZINC001481827018 1182756228 /nfs/dbraw/zinc/75/62/28/1182756228.db2.gz AUDDTCOKNKFKJG-DOTOQJQBSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481850743 1182801118 /nfs/dbraw/zinc/80/11/18/1182801118.db2.gz OYJVZFMDAZTGCI-YJBOKZPZSA-N 2 0 347.503 2.330 10 0 EEAERP CC[C@H](CNC(=O)Cc1cncn1C)[NH2+][C@@H]1CCc2ccccc21 ZINC001481870357 1182845301 /nfs/dbraw/zinc/84/53/01/1182845301.db2.gz MGWAETFYYLGFPA-CRAIPNDOSA-N 2 0 326.444 2.135 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001481926690 1182969829 /nfs/dbraw/zinc/96/98/29/1182969829.db2.gz ZMVMEDCBTARFIX-HKUYNNGSSA-N 2 0 333.451 2.294 10 0 EEAERP CCN(CC[NH2+]CCOc1c(C)cccc1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268497834 1183013254 /nfs/dbraw/zinc/01/32/54/1183013254.db2.gz IWOQRDRSXVVOFQ-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@]2(C[NH2+]CCF)CCCC[C@@H]2C)CC1 ZINC001481961680 1183045598 /nfs/dbraw/zinc/04/55/98/1183045598.db2.gz NTWFXVFFRHEVTJ-FUHWJXTLSA-N 2 0 327.488 2.343 10 0 EEAERP CC[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001482016390 1183135436 /nfs/dbraw/zinc/13/54/36/1183135436.db2.gz CGGUBISSCBDZAV-XSLAGTTESA-N 2 0 339.524 2.303 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268576971 1183326042 /nfs/dbraw/zinc/32/60/42/1183326042.db2.gz XUEHSLLJVOPYJD-UGZKAYFTSA-N 2 0 331.460 2.112 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1 ZINC001482149571 1183467747 /nfs/dbraw/zinc/46/77/47/1183467747.db2.gz SHCBKLIYWXRCEV-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccns2)CC1 ZINC001268611902 1183524302 /nfs/dbraw/zinc/52/43/02/1183524302.db2.gz VTAUGGGPZDWQMD-ARJAWSKDSA-N 2 0 336.505 2.026 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1F ZINC001268626197 1183545107 /nfs/dbraw/zinc/54/51/07/1183545107.db2.gz ZCDKFNBUTNXCNK-UPHRSURJSA-N 2 0 339.842 2.337 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001268624716 1183547538 /nfs/dbraw/zinc/54/75/38/1183547538.db2.gz FUCUPQOUORACEP-QFRLHKFZSA-N 2 0 331.435 2.171 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191290 1183606196 /nfs/dbraw/zinc/60/61/96/1183606196.db2.gz BWOVZIMFGCKTKW-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF)[NH+]1CCCCC1 ZINC001268757637 1183677392 /nfs/dbraw/zinc/67/73/92/1183677392.db2.gz DJVDDTHCDGBGMO-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP CCc1nocc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001269895228 1184701053 /nfs/dbraw/zinc/70/10/53/1184701053.db2.gz MBGRKBROBQXHHE-GOSISDBHSA-N 2 0 348.491 2.050 10 0 EEAERP Cc1oncc1C[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001269902332 1184706263 /nfs/dbraw/zinc/70/62/63/1184706263.db2.gz PUYOGBJYPZUFRQ-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001284737831 1184748901 /nfs/dbraw/zinc/74/89/01/1184748901.db2.gz NUIKRXKHDZYGDQ-CHWSQXEVSA-N 2 0 341.393 2.057 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001270023437 1184794670 /nfs/dbraw/zinc/79/46/70/1184794670.db2.gz ZMQMHPJRJTZTKR-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001270082558 1184834404 /nfs/dbraw/zinc/83/44/04/1184834404.db2.gz YVAITWGTJDOGQQ-ZWKOTPCHSA-N 2 0 335.467 2.482 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508266 1185360652 /nfs/dbraw/zinc/36/06/52/1185360652.db2.gz IUWNSHWMZLWKLW-RBUKOAKNSA-N 2 0 329.488 2.294 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001270923067 1185743436 /nfs/dbraw/zinc/74/34/36/1185743436.db2.gz YNPCIFMPYVDVDD-HKUYNNGSSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001271608826 1186337595 /nfs/dbraw/zinc/33/75/95/1186337595.db2.gz KSLLVWHGRXDZEV-IBGZPJMESA-N 2 0 344.503 2.347 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001271629551 1186343766 /nfs/dbraw/zinc/34/37/66/1186343766.db2.gz PEYXAAXIWWJWJJ-QWHCGFSZSA-N 2 0 335.414 2.107 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cscn1 ZINC001271698725 1186378886 /nfs/dbraw/zinc/37/88/86/1186378886.db2.gz FNIZTUAFTBLJJX-CABCVRRESA-N 2 0 338.521 2.059 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccns1 ZINC001271699753 1186381794 /nfs/dbraw/zinc/38/17/94/1186381794.db2.gz NBAXOEHOQNGGPR-LSDHHAIUSA-N 2 0 338.521 2.059 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699701 1187677256 /nfs/dbraw/zinc/67/72/56/1187677256.db2.gz ZDHFDGOTEMVCIM-WMZOPIPTSA-N 2 0 348.491 2.234 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001482835821 1187755384 /nfs/dbraw/zinc/75/53/84/1187755384.db2.gz YXRPITIMXHRUMZ-GPMSIDNRSA-N 2 0 347.503 2.158 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001482848035 1187766482 /nfs/dbraw/zinc/76/64/82/1187766482.db2.gz WGYLWWFUJNOFBI-LLVKDONJSA-N 2 0 327.388 2.158 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001482898335 1187810034 /nfs/dbraw/zinc/81/00/34/1187810034.db2.gz CJTLJXIWXJRSKD-QZTJIDSGSA-N 2 0 343.515 2.372 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892420 1187819317 /nfs/dbraw/zinc/81/93/17/1187819317.db2.gz STSYJYSNJAMOEL-ZDUSSCGKSA-N 2 0 337.414 2.045 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954691 1187881639 /nfs/dbraw/zinc/88/16/39/1187881639.db2.gz LXHQRTIDBHRBAW-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001279150853 1187907388 /nfs/dbraw/zinc/90/73/88/1187907388.db2.gz YKRBSWHHDNZIQZ-HKUYNNGSSA-N 2 0 331.504 2.173 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(F)F)cc1)C(=O)C[NH+]1CCCC1 ZINC001691602713 1188302481 /nfs/dbraw/zinc/30/24/81/1188302481.db2.gz CIYMQHILPJPHJF-UHFFFAOYSA-N 2 0 325.403 2.268 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)N(C)Cc2nocc2C)C1 ZINC001409620530 1190111502 /nfs/dbraw/zinc/11/15/02/1190111502.db2.gz XBGXTXUPZROVDR-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1cnc(C)s1 ZINC001409674985 1190173752 /nfs/dbraw/zinc/17/37/52/1190173752.db2.gz AJRRYSFPAJCRPW-CJNGLKHVSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC1CCOCC1 ZINC001409689060 1190189047 /nfs/dbraw/zinc/18/90/47/1190189047.db2.gz ORAURSAJQNFFHV-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483296600 1190323309 /nfs/dbraw/zinc/32/33/09/1190323309.db2.gz LSGOGBFDFDYJIN-ZDUSSCGKSA-N 2 0 332.473 2.113 10 0 EEAERP COc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)c1C ZINC001486095493 1193679752 /nfs/dbraw/zinc/67/97/52/1193679752.db2.gz JLWJLYXEVYSFGY-AEFFLSMTSA-N 2 0 347.503 2.423 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001483495988 1190512435 /nfs/dbraw/zinc/51/24/35/1190512435.db2.gz PVMMSGPFBZHHAR-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC001483510434 1190522181 /nfs/dbraw/zinc/52/21/81/1190522181.db2.gz JYNWUNNXOQVXMO-QZTJIDSGSA-N 2 0 347.503 2.154 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001483578458 1190566997 /nfs/dbraw/zinc/56/69/97/1190566997.db2.gz GNCAJLPILCEZSI-GOSISDBHSA-N 2 0 344.503 2.249 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001483605347 1190584209 /nfs/dbraw/zinc/58/42/09/1190584209.db2.gz IZVVQOGCDGCBFJ-WBVHZDCISA-N 2 0 335.879 2.276 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC001483608033 1190586940 /nfs/dbraw/zinc/58/69/40/1190586940.db2.gz QAFVHEIRGBWSER-SJORKVTESA-N 2 0 348.491 2.150 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001272553726 1190876203 /nfs/dbraw/zinc/87/62/03/1190876203.db2.gz ABVRNCYMONEQPU-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2c(F)cccc2F)C1 ZINC001272553838 1190876380 /nfs/dbraw/zinc/87/63/80/1190876380.db2.gz BUQLZOXOZFKPMX-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CC1 ZINC001483745550 1190898719 /nfs/dbraw/zinc/89/87/19/1190898719.db2.gz DILXJEFPJCQPPR-KRWDZBQOSA-N 2 0 348.466 2.080 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272653238 1190964208 /nfs/dbraw/zinc/96/42/08/1190964208.db2.gz PGHSJFCZOXEXGA-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001483759473 1190986792 /nfs/dbraw/zinc/98/67/92/1190986792.db2.gz IDHGQNUJMDXOKM-YJBOKZPZSA-N 2 0 345.487 2.479 10 0 EEAERP CCOCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001483801115 1191042775 /nfs/dbraw/zinc/04/27/75/1191042775.db2.gz GLNMAEACHBWWNE-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC3)CCN1C(=O)CC[NH+](C)C ZINC001483908203 1191120222 /nfs/dbraw/zinc/12/02/22/1191120222.db2.gz IJOMNNXBRAHOGK-HNAYVOBHSA-N 2 0 345.487 2.138 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001483909358 1191120638 /nfs/dbraw/zinc/12/06/38/1191120638.db2.gz RYDOISRSMMPZSG-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001483931895 1191122727 /nfs/dbraw/zinc/12/27/27/1191122727.db2.gz SLGLFZMYYAIKOJ-KGLIPLIRSA-N 2 0 335.414 2.392 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484013310 1191155599 /nfs/dbraw/zinc/15/55/99/1191155599.db2.gz SGPXOQXXGARSEU-GDBMZVCRSA-N 2 0 325.472 2.095 10 0 EEAERP COCc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001484071186 1191191715 /nfs/dbraw/zinc/19/17/15/1191191715.db2.gz MZBUVWPRZVFYFQ-HXUWFJFHSA-N 2 0 347.503 2.254 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001484116105 1191218589 /nfs/dbraw/zinc/21/85/89/1191218589.db2.gz VUDJJILGGANTNO-OXQOHEQNSA-N 2 0 344.503 2.060 10 0 EEAERP CC1(C)CC(C[NH2+]C[C@@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001484123576 1191222749 /nfs/dbraw/zinc/22/27/49/1191222749.db2.gz ZGNVNAGOCQSDHC-LJQANCHMSA-N 2 0 333.520 2.347 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ncccc2C)C1 ZINC001484380342 1191323707 /nfs/dbraw/zinc/32/37/07/1191323707.db2.gz IAIIEYGLCWAYPW-MSOLQXFVSA-N 2 0 346.519 2.306 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cscn2)CC1 ZINC001484396258 1191330016 /nfs/dbraw/zinc/33/00/16/1191330016.db2.gz VPALDTOCTGAZEA-SHTZXODSSA-N 2 0 338.521 2.107 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001484537031 1191404054 /nfs/dbraw/zinc/40/40/54/1191404054.db2.gz YNMFECNXQGIYOD-FTKBXELLSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484537938 1191404546 /nfs/dbraw/zinc/40/45/46/1191404546.db2.gz QELAOROZARCZLH-IAGOWNOFSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484640631 1191450143 /nfs/dbraw/zinc/45/01/43/1191450143.db2.gz DVJLEKQMZKHAFI-HOTGVXAUSA-N 2 0 327.488 2.483 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001484692768 1191468996 /nfs/dbraw/zinc/46/89/96/1191468996.db2.gz NIMRFAYXRMJEHP-RBUKOAKNSA-N 2 0 347.503 2.124 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001484748339 1191505680 /nfs/dbraw/zinc/50/56/80/1191505680.db2.gz ZEOQIIKSEHDZTN-OAHLLOKOSA-N 2 0 340.899 2.356 10 0 EEAERP O=C(NC1CC(C[NH2+]C/C(Cl)=C/Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001485091968 1191653042 /nfs/dbraw/zinc/65/30/42/1191653042.db2.gz IRTATZYEOHVBHT-HQAWPPAQSA-N 2 0 346.302 2.132 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485185646 1191680649 /nfs/dbraw/zinc/68/06/49/1191680649.db2.gz IAODEQGJVGTILO-CHWSQXEVSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC[C@H]1CCCCO1 ZINC001485356834 1191760938 /nfs/dbraw/zinc/76/09/38/1191760938.db2.gz GJDGICMYSDSBBQ-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001485373823 1191763178 /nfs/dbraw/zinc/76/31/78/1191763178.db2.gz XQOGWVGMGNWZOW-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCCCC2)o1 ZINC001485458695 1191797469 /nfs/dbraw/zinc/79/74/69/1191797469.db2.gz OCTXZSFICFQIRI-INIZCTEOSA-N 2 0 348.491 2.152 10 0 EEAERP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001486236119 1193762196 /nfs/dbraw/zinc/76/21/96/1193762196.db2.gz MLVANKUIMXENQK-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cc3)C(C)(C)C2)CC1 ZINC001486241672 1193767936 /nfs/dbraw/zinc/76/79/36/1193767936.db2.gz YIIIILNZBYTPKS-QGZVFWFLSA-N 2 0 347.478 2.494 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(C)(C)C ZINC001486396394 1193896588 /nfs/dbraw/zinc/89/65/88/1193896588.db2.gz BUWGORMOQUVYPV-QGZVFWFLSA-N 2 0 349.523 2.145 10 0 EEAERP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001486465729 1193981444 /nfs/dbraw/zinc/98/14/44/1193981444.db2.gz KRUBVWZEUCUUKV-UHFFFAOYSA-N 2 0 347.425 2.394 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CCCCCF)C2)CC1 ZINC001486479421 1193993150 /nfs/dbraw/zinc/99/31/50/1193993150.db2.gz MQDFUGKSUDGYHG-UHFFFAOYSA-N 2 0 327.488 2.437 10 0 EEAERP CN(C(=O)COC1CC[NH+](C)CC1)C1CC([NH2+]CC2=CCCCC2)C1 ZINC001486479658 1193994245 /nfs/dbraw/zinc/99/42/45/1193994245.db2.gz UXFWOXLWWNOPDA-UHFFFAOYSA-N 2 0 349.519 2.177 10 0 EEAERP COc1cccc([C@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001410111163 1197553045 /nfs/dbraw/zinc/55/30/45/1197553045.db2.gz BLXKNRBXHSMZRJ-UDTPNQRGSA-N 2 0 345.487 2.002 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cscn2)C1 ZINC001410236553 1197624918 /nfs/dbraw/zinc/62/49/18/1197624918.db2.gz LRPHTFOSJMJNKE-DZKIICNBSA-N 2 0 336.505 2.002 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001410246023 1197631288 /nfs/dbraw/zinc/63/12/88/1197631288.db2.gz DPVFSMJTDRGJOK-CQSZACIVSA-N 2 0 331.451 2.296 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001410307917 1197669483 /nfs/dbraw/zinc/66/94/83/1197669483.db2.gz GEGALWBSEFSRIQ-ROUUACIJSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cn1 ZINC001410378727 1197773610 /nfs/dbraw/zinc/77/36/10/1197773610.db2.gz ITOPAHHUNNBKKJ-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H](CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257669 1198115747 /nfs/dbraw/zinc/11/57/47/1198115747.db2.gz VBOHIWBQCDLOQX-HPBDAGMYSA-N 2 0 329.444 2.047 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865413947 1198204728 /nfs/dbraw/zinc/20/47/28/1198204728.db2.gz DMGIGOCFRUPUJY-HNNXBMFYSA-N 2 0 330.451 2.490 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nc3ccc(N)cc3s2)C[C@H]1C[NH+](C)C ZINC000866011357 1198454419 /nfs/dbraw/zinc/45/44/19/1198454419.db2.gz DIDHJNQTLPODKU-CHWSQXEVSA-N 2 0 333.505 2.054 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1ccccn1)CC2 ZINC001410904041 1198561042 /nfs/dbraw/zinc/56/10/42/1198561042.db2.gz KZEMIGLQLACJDH-HKUYNNGSSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)sn1 ZINC001410984797 1198660690 /nfs/dbraw/zinc/66/06/90/1198660690.db2.gz MTXVDGVPEJYLAP-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP CCN(CCNCc1csc(Cl)n1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273435233 1198916665 /nfs/dbraw/zinc/91/66/65/1198916665.db2.gz XXLFNFMHWHBJGE-ZDUSSCGKSA-N 2 0 346.928 2.321 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC(C(C)(C)C)C2)C[C@H]1C[NH+](C)C ZINC000875620555 1199319157 /nfs/dbraw/zinc/31/91/57/1199319157.db2.gz LANWPOCAAVJSJU-NUWOQIAWSA-N 2 0 338.540 2.192 10 0 EEAERP C[NH+]1CCC2(CCCN2C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810847973 1199762564 /nfs/dbraw/zinc/76/25/64/1199762564.db2.gz ROAGZXAHMSLXQX-GOSISDBHSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870016148 1200408820 /nfs/dbraw/zinc/40/88/20/1200408820.db2.gz DBCQBPDQFYKGHI-YSTOQKLRSA-N 2 0 343.515 2.296 10 0 EEAERP O=C(C[C@@H]1C[C@H]1C1CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000878559958 1200542440 /nfs/dbraw/zinc/54/24/40/1200542440.db2.gz ATRNRPQUNSUEQS-HKUYNNGSSA-N 2 0 342.487 2.146 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)n1 ZINC000870973629 1200983803 /nfs/dbraw/zinc/98/38/03/1200983803.db2.gz CUIGFCYTDBRLTK-ATGSNQNLSA-N 2 0 336.867 2.080 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697296 1201582899 /nfs/dbraw/zinc/58/28/99/1201582899.db2.gz MIUGBKSEKNOMDJ-UFYCRDLUSA-N 2 0 332.488 2.341 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000868167822 1201756960 /nfs/dbraw/zinc/75/69/60/1201756960.db2.gz JICQNYWGACGFFO-UHFFFAOYSA-N 2 0 348.491 2.276 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001279182876 1204338597 /nfs/dbraw/zinc/33/85/97/1204338597.db2.gz ZKMHUXYNZAPQPK-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]Cc2ccccn2)ccc2c[nH+]cn21 ZINC001274151705 1204410260 /nfs/dbraw/zinc/41/02/60/1204410260.db2.gz BWEPGSJAGFRFRS-SNAWJCMRSA-N 2 0 335.411 2.114 10 0 EEAERP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1[NH2+]CCCF ZINC001274208556 1204462158 /nfs/dbraw/zinc/46/21/58/1204462158.db2.gz OIDXXULORZRBHA-JSGCOSHPSA-N 2 0 327.469 2.219 10 0 EEAERP COCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001274237904 1204973279 /nfs/dbraw/zinc/97/32/79/1204973279.db2.gz DFPJQRLRVPKEDF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001274498856 1205058592 /nfs/dbraw/zinc/05/85/92/1205058592.db2.gz RDMWVHGFZNSOCC-KZSQQDEKSA-N 2 0 335.879 2.444 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2sccc2Cl)C1 ZINC001274579467 1205086909 /nfs/dbraw/zinc/08/69/09/1205086909.db2.gz UNQGDEBMVREESJ-JDGPPOGSSA-N 2 0 327.881 2.115 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001274888988 1205198094 /nfs/dbraw/zinc/19/80/94/1205198094.db2.gz TZCBDRWSEBJVBU-APWZRJJASA-N 2 0 331.504 2.370 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001274981243 1205224393 /nfs/dbraw/zinc/22/43/93/1205224393.db2.gz XUYWLSVRPIQXQK-QGZVFWFLSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572400 1205421397 /nfs/dbraw/zinc/42/13/97/1205421397.db2.gz VKWPIGSBZDWPKC-STQMWFEESA-N 2 0 326.872 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572390 1205421454 /nfs/dbraw/zinc/42/14/54/1205421454.db2.gz VKWPIGSBZDWPKC-CHWSQXEVSA-N 2 0 326.872 2.058 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001412401768 1205716077 /nfs/dbraw/zinc/71/60/77/1205716077.db2.gz QGTOCCOQNCTTGO-YTQUADARSA-N 2 0 347.478 2.289 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001276047677 1205750529 /nfs/dbraw/zinc/75/05/29/1205750529.db2.gz DUEYZNHOKUOBBL-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)(c2ccccc2)CC1 ZINC001412675776 1205823893 /nfs/dbraw/zinc/82/38/93/1205823893.db2.gz JLWABKPSRVXXSZ-SFHVURJKSA-N 2 0 343.515 2.497 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1F)C(=O)C1CC[NH+](C)CC1 ZINC001276209013 1205834129 /nfs/dbraw/zinc/83/41/29/1205834129.db2.gz NKYVEBDXTACRIS-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001490826219 1205884237 /nfs/dbraw/zinc/88/42/37/1205884237.db2.gz CUPYMYJYOCZYQW-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924656967 1206012533 /nfs/dbraw/zinc/01/25/33/1206012533.db2.gz DXEPZCZBRXRGRY-ICSRJNTNSA-N 2 0 347.551 2.057 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000924777562 1206030577 /nfs/dbraw/zinc/03/05/77/1206030577.db2.gz QMWCABAAYVSMOJ-GKMDZDJDSA-N 2 0 343.471 2.234 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000925531728 1206124253 /nfs/dbraw/zinc/12/42/53/1206124253.db2.gz MOLATIJLHDVYDA-MCIONIFRSA-N 2 0 330.350 2.478 10 0 EEAERP c1ccc(CN2CC[NH+](CCCN[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925539043 1206124928 /nfs/dbraw/zinc/12/49/28/1206124928.db2.gz YHPYJFSINGJKTG-HXUWFJFHSA-N 2 0 342.531 2.069 10 0 EEAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925546862 1206126125 /nfs/dbraw/zinc/12/61/25/1206126125.db2.gz QMXWHBFSHBAZLA-BHIYHBOVSA-N 2 0 328.504 2.057 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)C[C@@H]([NH3+])C1 ZINC000925657533 1206140719 /nfs/dbraw/zinc/14/07/19/1206140719.db2.gz JHQZDPOQBDFZPW-IKGGRYGDSA-N 2 0 333.451 2.422 10 0 EEAERP CC1(C)[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925720242 1206146029 /nfs/dbraw/zinc/14/60/29/1206146029.db2.gz XDPCCSCKTKRDHW-YRXWBPOGSA-N 2 0 332.488 2.320 10 0 EEAERP Cc1cc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nn1C ZINC000925832616 1206158491 /nfs/dbraw/zinc/15/84/91/1206158491.db2.gz GMWUBGFBEZHQAU-IEBWSBKVSA-N 2 0 326.444 2.117 10 0 EEAERP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849542 1206160424 /nfs/dbraw/zinc/16/04/24/1206160424.db2.gz PMBGCXUYNOYOTL-DOTOQJQBSA-N 2 0 331.460 2.068 10 0 EEAERP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850494 1206160518 /nfs/dbraw/zinc/16/05/18/1206160518.db2.gz BGCBYPPLSSELHM-WMZOPIPTSA-N 2 0 344.455 2.348 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC12CC[NH2+]CC2 ZINC000925853647 1206161290 /nfs/dbraw/zinc/16/12/90/1206161290.db2.gz QDMAUMJASFFZOP-LRDDRELGSA-N 2 0 336.382 2.227 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[C@@H]1C ZINC000925905985 1206166236 /nfs/dbraw/zinc/16/62/36/1206166236.db2.gz MXDPCOSZTWIGRC-BQFCYCMXSA-N 2 0 347.507 2.199 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925916408 1206168079 /nfs/dbraw/zinc/16/80/79/1206168079.db2.gz LUXASGAEWIAFNX-ROUUACIJSA-N 2 0 347.507 2.200 10 0 EEAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000926126881 1206195770 /nfs/dbraw/zinc/19/57/70/1206195770.db2.gz SHOFVVYTBUMHMF-HSALFYBXSA-N 2 0 332.488 2.404 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)c1cccnc1 ZINC000926147485 1206198807 /nfs/dbraw/zinc/19/88/07/1206198807.db2.gz MGZFNVSBNSCRRK-QGZVFWFLSA-N 2 0 327.432 2.355 10 0 EEAERP C[C@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000928837890 1206426327 /nfs/dbraw/zinc/42/63/27/1206426327.db2.gz WZBDQZMGYQUHNF-KYHPRHEASA-N 2 0 332.492 2.452 10 0 EEAERP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCOC(C)(C)C2)CC1 ZINC000929294160 1206463109 /nfs/dbraw/zinc/46/31/09/1206463109.db2.gz AVARIBJZIVGRFA-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929485751 1206480060 /nfs/dbraw/zinc/48/00/60/1206480060.db2.gz OAQAUTGFYNCBJI-LJQANCHMSA-N 2 0 332.488 2.106 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC3(CCC3)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136951 1206537070 /nfs/dbraw/zinc/53/70/70/1206537070.db2.gz PUXPFAMKQOJGJD-QYZOEREBSA-N 2 0 335.536 2.436 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000930663014 1206573653 /nfs/dbraw/zinc/57/36/53/1206573653.db2.gz FFVBQRNZBJLRKN-ZIAGYGMSSA-N 2 0 337.430 2.102 10 0 EEAERP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000931664082 1207436216 /nfs/dbraw/zinc/43/62/16/1207436216.db2.gz PLINEMQOPRALIL-ZPHJMFTNSA-N 2 0 345.487 2.193 10 0 EEAERP C[C@H](CN1CCOCC1)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001412945561 1216146980 /nfs/dbraw/zinc/14/69/80/1216146980.db2.gz BFFXNIFKJLDIII-FPOVZHCZSA-N 2 0 345.531 2.409 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(F)c3occc32)C[C@H]1C[NH+](C)C ZINC000827892707 1248947101 /nfs/dbraw/zinc/94/71/01/1248947101.db2.gz QWJZADDGLWZRIQ-ZIAGYGMSSA-N 2 0 347.434 2.383 10 0 EEAERP [NH3+]CCCCCC[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000903563822 1240953595 /nfs/dbraw/zinc/95/35/95/1240953595.db2.gz LOITUCJWMIQUMB-UHFFFAOYSA-N 2 0 331.460 2.163 10 0 EEAERP c1csc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903718516 1241710720 /nfs/dbraw/zinc/71/07/20/1241710720.db2.gz NZNVOANIRXKWKX-XYJFISCASA-N 2 0 336.501 2.498 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cnn1C ZINC000903899745 1242398812 /nfs/dbraw/zinc/39/88/12/1242398812.db2.gz XOLNZBSYKGSEPN-FXAWDEMLSA-N 2 0 341.503 2.422 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@H](c2cccnc2)C(C)C)cnn1C ZINC000903922740 1242515591 /nfs/dbraw/zinc/51/55/91/1242515591.db2.gz DDULNCGVAJJUPX-LPHOPBHVSA-N 2 0 329.492 2.270 10 0 EEAERP CCOCc1ccccc1C[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925563 1242520348 /nfs/dbraw/zinc/52/03/48/1242520348.db2.gz NYNBGKMRGNOFOI-MRXNPFEDSA-N 2 0 330.476 2.172 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1O ZINC000903974768 1242811442 /nfs/dbraw/zinc/81/14/42/1242811442.db2.gz RXPWWCUXVYGTJU-GHMZBOCLSA-N 2 0 343.265 2.499 10 0 EEAERP Cc1ncc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)n1-c1ccccc1 ZINC000903974651 1242811661 /nfs/dbraw/zinc/81/16/61/1242811661.db2.gz VLEXZUMSGGTADZ-QGZVFWFLSA-N 2 0 340.471 2.429 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001491047569 1258606540 /nfs/dbraw/zinc/60/65/40/1258606540.db2.gz JQLHXHGJWOPSQP-GASCZTMLSA-N 2 0 325.403 2.043 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001491064247 1258632725 /nfs/dbraw/zinc/63/27/25/1258632725.db2.gz VXJUKTNHRUHQGX-XDNAFOTISA-N 2 0 337.508 2.057 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001491172064 1258741632 /nfs/dbraw/zinc/74/16/32/1258741632.db2.gz AVHGRWWOWUGJHY-MFCMZOHRSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001491300270 1258926604 /nfs/dbraw/zinc/92/66/04/1258926604.db2.gz MZTYSDPEYYJHBP-CVEARBPZSA-N 2 0 336.480 2.040 10 0 EEAERP CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001491365697 1259006812 /nfs/dbraw/zinc/00/68/12/1259006812.db2.gz HHMWQMXIOKQQAF-DAWZGUTISA-N 2 0 339.524 2.303 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001273445228 1278416258 /nfs/dbraw/zinc/41/62/58/1278416258.db2.gz JVTGWUXWJNZSBW-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](Cc1cncc(F)c1)CC2 ZINC001490605950 1291515732 /nfs/dbraw/zinc/51/57/32/1291515732.db2.gz OFAIBAPVFUBRHZ-QGZVFWFLSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC001490606987 1291518668 /nfs/dbraw/zinc/51/86/68/1291518668.db2.gz CCQWXUUGIWKIOV-GOSISDBHSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccc(F)cc1 ZINC001490729884 1291709961 /nfs/dbraw/zinc/70/99/61/1291709961.db2.gz YIUFFCARVLFXFL-KSSFIOAISA-N 2 0 345.462 2.467 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852884544 1292224301 /nfs/dbraw/zinc/22/43/01/1292224301.db2.gz KTBDOFIMZBVTGN-KRWDZBQOSA-N 2 0 327.472 2.419 10 0 EEAERP C[C@H](NC(=O)C=C1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888237 1292226806 /nfs/dbraw/zinc/22/68/06/1292226806.db2.gz VTHCDUJWFUIJCM-QFBILLFUSA-N 2 0 327.472 2.323 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)CC[NH2+]CC1 ZINC000854229320 1292679989 /nfs/dbraw/zinc/67/99/89/1292679989.db2.gz LEMPKMNKDOCBTJ-RRQGHBQHSA-N 2 0 332.444 2.076 10 0 EEAERP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855163384 1293096819 /nfs/dbraw/zinc/09/68/19/1293096819.db2.gz XDUZPXMKVYCJGC-KSSFIOAISA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857857866 1293932011 /nfs/dbraw/zinc/93/20/11/1293932011.db2.gz XPFPWHOLUNUYIJ-MRXNPFEDSA-N 2 0 347.507 2.003 10 0 EEAERP COCC[N@H+](CCOC1CCSCC1)CC1CC[NH+](C)CC1 ZINC000931380349 1297166728 /nfs/dbraw/zinc/16/67/28/1297166728.db2.gz OIBUOHFZKXVNBT-UHFFFAOYSA-N 2 0 330.538 2.189 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001277092511 1301236113 /nfs/dbraw/zinc/23/61/13/1301236113.db2.gz FMCSEVISIQSSBK-XUXIUFHCSA-N 2 0 335.414 2.296 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncs1 ZINC001277187927 1301728806 /nfs/dbraw/zinc/72/88/06/1301728806.db2.gz YWXYTDFVONIFGT-HOCLYGCPSA-N 2 0 338.521 2.390 10 0 EEAERP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277219212 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346.466 2.329 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCOc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001279028416 1319033329 /nfs/dbraw/zinc/03/33/29/1319033329.db2.gz RHWLFJNZCWCFLD-SFHVURJKSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001263991606 1322579535 /nfs/dbraw/zinc/57/95/35/1322579535.db2.gz IYKHHWWMDVLIGV-XSXXPSGLSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001264512571 1322718181 /nfs/dbraw/zinc/71/81/81/1322718181.db2.gz RYLGLRGYRSSVJQ-QAPCUYQASA-N 2 0 348.491 2.266 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](Cc2cncc(F)c2)C2CC2)C1 ZINC001265175634 1322967554 /nfs/dbraw/zinc/96/75/54/1322967554.db2.gz KJWIEQDVINXCNH-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccc(Cl)cc1 ZINC001265759533 1323367108 /nfs/dbraw/zinc/36/71/08/1323367108.db2.gz XHUZVGKGTOXOEU-YOEHRIQHSA-N 2 0 337.895 2.461 10 0 EEAERP 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ZINC001491831697 1330267497 /nfs/dbraw/zinc/26/74/97/1330267497.db2.gz KRSZKKPLPYWMJB-MRXNPFEDSA-N 2 0 340.471 2.125 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001491891842 1330292130 /nfs/dbraw/zinc/29/21/30/1330292130.db2.gz OQHJEOJHSFFOIT-JKSUJKDBSA-N 2 0 336.480 2.150 10 0 EEAERP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001491958605 1330352047 /nfs/dbraw/zinc/35/20/47/1330352047.db2.gz FGYVLPIUXFOUOC-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001492091700 1330998787 /nfs/dbraw/zinc/99/87/87/1330998787.db2.gz GMLNQODLJUFZDU-AEFFLSMTSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1csc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2ncc[nH]2)n1 ZINC001492170306 1331046242 /nfs/dbraw/zinc/04/62/42/1331046242.db2.gz CIHHJQBSQWDGNY-AWEZNQCLSA-N 2 0 347.488 2.278 10 0 EEAERP COCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001316700539 1331818692 /nfs/dbraw/zinc/81/86/92/1331818692.db2.gz PUTRVNSFPRDJOH-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001316849527 1331932982 /nfs/dbraw/zinc/93/29/82/1331932982.db2.gz LAACJQVOLXQVDJ-MOPGFXCFSA-N 2 0 331.504 2.426 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ncccc1C ZINC001316904374 1331969709 /nfs/dbraw/zinc/96/97/09/1331969709.db2.gz WGIVRAIGPXCFRT-MRXNPFEDSA-N 2 0 332.492 2.060 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1C ZINC001316990781 1332033038 /nfs/dbraw/zinc/03/30/38/1332033038.db2.gz JQDSTVVYONCDRJ-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317177800 1332116209 /nfs/dbraw/zinc/11/62/09/1332116209.db2.gz YYCBWMPAWLSCGB-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCF)C2)CC1 ZINC001317361841 1332195248 /nfs/dbraw/zinc/19/52/48/1332195248.db2.gz WLJBOQNYEKSIOX-IAGOWNOFSA-N 2 0 327.488 2.483 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317509148 1332273526 /nfs/dbraw/zinc/27/35/26/1332273526.db2.gz PNHZPNXSQGNUBG-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317596595 1332317171 /nfs/dbraw/zinc/31/71/71/1332317171.db2.gz VBYMABZDRXQSEJ-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001317759864 1332400235 /nfs/dbraw/zinc/40/02/35/1332400235.db2.gz UXVDTTCLUBPAFH-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001317971035 1332454877 /nfs/dbraw/zinc/45/48/77/1332454877.db2.gz RVOGAUADRYSOCN-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC001318989448 1332633323 /nfs/dbraw/zinc/63/33/23/1332633323.db2.gz XNHSEMFICDQXNH-MOPGFXCFSA-N 2 0 345.487 2.056 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCCc1ccccc1 ZINC001319190029 1332662767 /nfs/dbraw/zinc/66/27/67/1332662767.db2.gz RNCKRYBYWZSJRD-FXAWDEMLSA-N 2 0 343.515 2.303 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001319533963 1332716851 /nfs/dbraw/zinc/71/68/51/1332716851.db2.gz MDUUPYMOEMKJQI-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319609392 1332728257 /nfs/dbraw/zinc/72/82/57/1332728257.db2.gz LRWAJNSJMRBCMT-DBLORFJXSA-N 2 0 327.900 2.201 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001319697859 1332745008 /nfs/dbraw/zinc/74/50/08/1332745008.db2.gz PTXJWSWKCWUONI-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001320475142 1332892450 /nfs/dbraw/zinc/89/24/50/1332892450.db2.gz DWKTWNQNOPYFFN-AWEZNQCLSA-N 2 0 348.491 2.158 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(COC)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320769125 1332949008 /nfs/dbraw/zinc/94/90/08/1332949008.db2.gz AZNNEURCTIYVIF-IBGZPJMESA-N 2 0 347.503 2.255 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001321189692 1333040829 /nfs/dbraw/zinc/04/08/29/1333040829.db2.gz PJKGJRLNNCTITO-QBAOTHAWSA-N 2 0 331.435 2.169 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321211736 1333045760 /nfs/dbraw/zinc/04/57/60/1333045760.db2.gz QULUGFJYPVLIMY-IXWNZZHASA-N 2 0 348.491 2.038 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2)CC1 ZINC001321305846 1333069278 /nfs/dbraw/zinc/06/92/78/1333069278.db2.gz TVPQFEFKHPQGET-NSCUHMNNSA-N 2 0 333.451 2.320 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC[C@@H]1CCCC1(F)F)C12CC[NH+](CC1)C2 ZINC001321339333 1333078579 /nfs/dbraw/zinc/07/85/79/1333078579.db2.gz UOSQCWXKLITARU-OYADATRGSA-N 2 0 341.446 2.170 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1F ZINC001321419782 1333100739 /nfs/dbraw/zinc/10/07/39/1333100739.db2.gz QORNTGJNMCRYSQ-HPFMTEOYSA-N 2 0 333.451 2.462 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001323000552 1333366579 /nfs/dbraw/zinc/36/65/79/1333366579.db2.gz OYUBLMIGSOKUPO-ATZDWAIDSA-N 2 0 329.488 2.054 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCOC)C2 ZINC001323817222 1333546551 /nfs/dbraw/zinc/54/65/51/1333546551.db2.gz ZFBDBLVYDUKSLJ-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP O=C(N1CCC[C@H]1C[NH2+]CCOC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001324179645 1333629165 /nfs/dbraw/zinc/62/91/65/1333629165.db2.gz BQWFQYHZVUBIRZ-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001326365119 1334076681 /nfs/dbraw/zinc/07/66/81/1334076681.db2.gz NMGBQZZTIDSWOK-HIFRSBDPSA-N 2 0 331.451 2.200 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001327860053 1334356643 /nfs/dbraw/zinc/35/66/43/1334356643.db2.gz GNAIPGOKQYXNFF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001328960624 1334557295 /nfs/dbraw/zinc/55/72/95/1334557295.db2.gz GCIWMLJYWZSMGJ-UHFFFAOYSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](Cc2ccc(F)cc2)C1 ZINC001330073052 1334774360 /nfs/dbraw/zinc/77/43/60/1334774360.db2.gz YTYINHGNJUSTHW-OAHLLOKOSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001332025396 1335708696 /nfs/dbraw/zinc/70/86/96/1335708696.db2.gz IQMBBNDZVUFRDC-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1cc(CN2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)on1 ZINC001333458093 1336050945 /nfs/dbraw/zinc/05/09/45/1336050945.db2.gz NLTDKZOXUVHSNR-UHFFFAOYSA-N 2 0 346.475 2.107 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001434840610 1341958338 /nfs/dbraw/zinc/95/83/38/1341958338.db2.gz DUQZBHSVXVPBIX-SFHVURJKSA-N 2 0 346.519 2.489 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001436365244 1342054217 /nfs/dbraw/zinc/05/42/17/1342054217.db2.gz LPRQMLWQVMGGAG-KJQSLDHJSA-N 2 0 327.472 2.280 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001436397599 1342073392 /nfs/dbraw/zinc/07/33/92/1342073392.db2.gz PWEVNXIBSPUTHB-ZVZYQTTQSA-N 2 0 339.499 2.341 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001500276046 1342128404 /nfs/dbraw/zinc/12/84/04/1342128404.db2.gz WYSHRJXROQWFKM-FQEVSTJZSA-N 2 0 346.519 2.175 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)n1 ZINC001675965906 1357078521 /nfs/dbraw/zinc/07/85/21/1357078521.db2.gz FVAJMQHFGTVMSV-OAHLLOKOSA-N 2 0 346.519 2.415 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018233 1357090069 /nfs/dbraw/zinc/09/00/69/1357090069.db2.gz IUGOWVLBBJSMLH-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001570014091 1342999723 /nfs/dbraw/zinc/99/97/23/1342999723.db2.gz YLZPIGJIOGRCJZ-CKXDQPNJSA-N 2 0 346.302 2.229 10 0 EEAERP C[C@@H]1CC[C@H](C[N@H+](C)C2CCN(C(=O)CCCC[NH+](C)C)CC2)O1 ZINC001676079349 1357101615 /nfs/dbraw/zinc/10/16/15/1357101615.db2.gz NQVQAEOFPVRPJF-SJLPKXTDSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)[NH+]1CCCC1 ZINC001571569055 1343240169 /nfs/dbraw/zinc/24/01/69/1343240169.db2.gz WXARHJWTAVPKRY-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C(F)(F)F)C1 ZINC001571572876 1343241122 /nfs/dbraw/zinc/24/11/22/1343241122.db2.gz ZFJYPZKCFMUKFI-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001649857137 1353628395 /nfs/dbraw/zinc/62/83/95/1353628395.db2.gz XHIDPOFHYGQELH-MSOLQXFVSA-N 2 0 331.460 2.099 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001656451797 1354238677 /nfs/dbraw/zinc/23/86/77/1354238677.db2.gz BMXJPDWGRJKWDB-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC[NH2+]CCC1CC1 ZINC001656454002 1354239565 /nfs/dbraw/zinc/23/95/65/1354239565.db2.gz PZECKKVKUFCNKE-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001656900059 1354297040 /nfs/dbraw/zinc/29/70/40/1354297040.db2.gz XNYWMWYMACZGCY-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncc(C[N@H+](C)CCCNC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001660203830 1354417096 /nfs/dbraw/zinc/41/70/96/1354417096.db2.gz WYNVGJSXNMTFAT-UHFFFAOYSA-N 2 0 341.415 2.191 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001661842987 1354707499 /nfs/dbraw/zinc/70/74/99/1354707499.db2.gz XWXLRUHIIZWYBZ-IBGZPJMESA-N 2 0 331.504 2.398 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCF)C12CCC[NH+](CCC1)C2 ZINC001663072159 1354908665 /nfs/dbraw/zinc/90/86/65/1354908665.db2.gz NRMIUGKKVYLNDZ-MRXNPFEDSA-N 2 0 325.472 2.193 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)s1 ZINC001663937434 1355057285 /nfs/dbraw/zinc/05/72/85/1355057285.db2.gz NNCXUSKVQIBCQL-QGZVFWFLSA-N 2 0 335.517 2.255 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001664043816 1355080066 /nfs/dbraw/zinc/08/00/66/1355080066.db2.gz BJHOAXSYWPDXSM-UHFFFAOYSA-N 2 0 333.451 2.311 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001664313106 1355136044 /nfs/dbraw/zinc/13/60/44/1355136044.db2.gz DJLZNHVORWKXQO-UHFFFAOYSA-N 2 0 329.488 2.071 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOCC(C)C)C1 ZINC001664997059 1355262079 /nfs/dbraw/zinc/26/20/79/1355262079.db2.gz ANFXXBHFYGIKOS-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC001665636142 1355342028 /nfs/dbraw/zinc/34/20/28/1355342028.db2.gz DUVUBGPIXPRAMT-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001665642605 1355346271 /nfs/dbraw/zinc/34/62/71/1355346271.db2.gz WZSOYGUKHGVSEB-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001666093876 1355449825 /nfs/dbraw/zinc/44/98/25/1355449825.db2.gz YXSLFZREORGCOX-FUHWJXTLSA-N 2 0 348.491 2.104 10 0 EEAERP COCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001666110844 1355454095 /nfs/dbraw/zinc/45/40/95/1355454095.db2.gz KPVOHEKDQFOAIL-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666903841 1355613154 /nfs/dbraw/zinc/61/31/54/1355613154.db2.gz YRXZHDUPBCWUMF-WMLDXEAASA-N 2 0 335.517 2.069 10 0 EEAERP COCCCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001666938289 1355618309 /nfs/dbraw/zinc/61/83/09/1355618309.db2.gz JZZVOOJIHLIMNP-AWEZNQCLSA-N 2 0 332.448 2.119 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667032886 1355635784 /nfs/dbraw/zinc/63/57/84/1355635784.db2.gz GASGSMDOFZIADJ-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)o1 ZINC001667209757 1355673585 /nfs/dbraw/zinc/67/35/85/1355673585.db2.gz BTZGDRLRBOOOER-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCCF ZINC001667210466 1355674822 /nfs/dbraw/zinc/67/48/22/1355674822.db2.gz JFNUNMJTIMNCRE-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001667306973 1355705234 /nfs/dbraw/zinc/70/52/34/1355705234.db2.gz NGOBDNDDKMTDLJ-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(N(C)C)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668555043 1355961655 /nfs/dbraw/zinc/96/16/55/1355961655.db2.gz GUQXBGFNIFOSSY-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCc1ccsc1 ZINC001668887533 1356036361 /nfs/dbraw/zinc/03/63/61/1356036361.db2.gz MSCQFNRPAQCQKH-REMYHPOOSA-N 2 0 335.517 2.427 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001669008021 1356066228 /nfs/dbraw/zinc/06/62/28/1356066228.db2.gz DUWBLPOTBAEGBT-DDKKJVIOSA-N 2 0 333.451 2.417 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001669202240 1356124669 /nfs/dbraw/zinc/12/46/69/1356124669.db2.gz YZWXFLGNWPFOPT-LQOBQMSGSA-N 2 0 329.435 2.167 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001670271927 1356309125 /nfs/dbraw/zinc/30/91/25/1356309125.db2.gz WSQCWNBNNGDJBZ-KRWDZBQOSA-N 2 0 332.492 2.284 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001675253732 1356952596 /nfs/dbraw/zinc/95/25/96/1356952596.db2.gz XLEBAZXUSPCNAS-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP Cn1cncc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001675271215 1356956693 /nfs/dbraw/zinc/95/66/93/1356956693.db2.gz YQTCPFSICZXNCO-QGZVFWFLSA-N 2 0 349.523 2.013 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001690620957 1404930396 /nfs/dbraw/zinc/93/03/96/1404930396.db2.gz KMGVZNINEJONML-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001692115817 1404976063 /nfs/dbraw/zinc/97/60/63/1404976063.db2.gz RSDAAXVDOBGUBL-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCCc1cccc(F)c1 ZINC001698737241 1405036794 /nfs/dbraw/zinc/03/67/94/1405036794.db2.gz GYKDXKCVGYLNKB-CRAIPNDOSA-N 2 0 335.467 2.194 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001699826494 1405512860 /nfs/dbraw/zinc/51/28/60/1405512860.db2.gz MLXRPSVAVREIGI-HKUYNNGSSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)C[C@H]([NH3+])c1noc([C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000842586790 769674422 /nfs/dbraw/zinc/67/44/22/769674422.db2.gz PXTQAVSJJFCRIM-YJBOKZPZSA-N 2 0 330.432 2.209 10 0 EEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925838092 779151432 /nfs/dbraw/zinc/15/14/32/779151432.db2.gz KKPKRRQEKGSDAQ-WHCAJBEMSA-N 2 0 339.281 2.240 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(Cl)n1 ZINC000817860907 785026914 /nfs/dbraw/zinc/02/69/14/785026914.db2.gz YZIVCAZRMCHLIF-HQRZJTNHSA-N 2 0 338.883 2.265 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000908083190 785050291 /nfs/dbraw/zinc/05/02/91/785050291.db2.gz QUCMCOMUNCKQLG-INIZCTEOSA-N 2 0 347.528 2.433 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000818987613 785352978 /nfs/dbraw/zinc/35/29/78/785352978.db2.gz DMVPOOXIANDGPN-HXUWFJFHSA-N 2 0 331.504 2.177 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2)(N2CCCCC2)CC1 ZINC000819111282 785430520 /nfs/dbraw/zinc/43/05/20/785430520.db2.gz NOWXHAUEFOXAFH-IBGZPJMESA-N 2 0 331.504 2.260 10 0 EEAERP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1Cl ZINC000819172280 785445982 /nfs/dbraw/zinc/44/59/82/785445982.db2.gz CBLNBKOGBAYUIH-SQNIBIBYSA-N 2 0 338.879 2.341 10 0 EEAERP C[NH+](C)C1(C(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC000913085216 788616358 /nfs/dbraw/zinc/61/63/58/788616358.db2.gz NZWIBVGRRUUTLV-PMACEKPBSA-N 2 0 341.499 2.451 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711344584 788728437 /nfs/dbraw/zinc/72/84/37/788728437.db2.gz SXOUPJUTYTXEOT-NXHRZFHOSA-N 2 0 329.488 2.116 10 0 EEAERP C[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C[C@]2(C)C1 ZINC000913280938 788743286 /nfs/dbraw/zinc/74/32/86/788743286.db2.gz IPSHMKGPUFVMFC-SFTDATJTSA-N 2 0 341.499 2.235 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921543922 789146515 /nfs/dbraw/zinc/14/65/15/789146515.db2.gz PLCWEKFSMZDSKZ-UHFFFAOYSA-N 2 0 340.471 2.215 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CC3CCC2CC3)C1)[C@H]1CCC[NH2+]1 ZINC000923329109 789373546 /nfs/dbraw/zinc/37/35/46/789373546.db2.gz OWCZGKIJAUMCIM-NXANPBQISA-N 2 0 333.520 2.393 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923322299 789380339 /nfs/dbraw/zinc/38/03/39/789380339.db2.gz NHTBVPDFRWUMID-LJQANCHMSA-N 2 0 331.504 2.209 10 0 EEAERP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3C[C@H]3CC4(C[NH2+]C4)CO3)O2)cc1 ZINC000923393628 789487185 /nfs/dbraw/zinc/48/71/85/789487185.db2.gz VBIINSZRJJYLEX-XWSJACJDSA-N 2 0 328.456 2.360 10 0 EEAERP COc1cc2c(cc1OC)C(C)(C)[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425433 789528062 /nfs/dbraw/zinc/52/80/62/789528062.db2.gz FULXKVPQUOHXHP-HNNXBMFYSA-N 2 0 346.471 2.176 10 0 EEAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000923420349 789535958 /nfs/dbraw/zinc/53/59/58/789535958.db2.gz HZIUVYYKQMQANR-OASPWFOLSA-N 2 0 333.259 2.449 10 0 EEAERP Cc1cc(C)c(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923458838 789577912 /nfs/dbraw/zinc/57/79/12/789577912.db2.gz VGPDESKMWNRJFC-QGZVFWFLSA-N 2 0 345.487 2.380 10 0 EEAERP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495255 789652821 /nfs/dbraw/zinc/65/28/21/789652821.db2.gz AALAUFJDTFCSHX-DLBZAZTESA-N 2 0 347.503 2.146 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923490541 789659319 /nfs/dbraw/zinc/65/93/19/789659319.db2.gz DMJFAFCZCMWEPH-KYOSRNDESA-N 2 0 327.266 2.399 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000914016896 794742400 /nfs/dbraw/zinc/74/24/00/794742400.db2.gz KECBHROEGKCZMO-LPHOPBHVSA-N 2 0 344.503 2.085 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000922500228 801188448 /nfs/dbraw/zinc/18/84/48/801188448.db2.gz ACMAEWWARMUXKN-CYGHRXIMSA-N 2 0 330.476 2.041 10 0 EEAERP Cc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000793536724 810395604 /nfs/dbraw/zinc/39/56/04/810395604.db2.gz UZKXTDBSHXHGMQ-KRWDZBQOSA-N 2 0 333.524 2.329 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001565971441 1125478611 /nfs/dbraw/zinc/47/86/11/1125478611.db2.gz ZQKUKYQWDQUXMC-YHPFSPHJSA-N 2 0 327.900 2.440 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cncs1 ZINC001566498560 1125666324 /nfs/dbraw/zinc/66/63/24/1125666324.db2.gz KGTSHIREKGKOQU-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001566508126 1125676614 /nfs/dbraw/zinc/67/66/14/1125676614.db2.gz TTZBBVWPXMFCNC-WAPJZHGLSA-N 2 0 327.900 2.299 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001566534711 1125704287 /nfs/dbraw/zinc/70/42/87/1125704287.db2.gz VXEVVKKAYVHEAY-FUHWJXTLSA-N 2 0 349.523 2.218 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CCOCC1 ZINC001566549991 1125719310 /nfs/dbraw/zinc/71/93/10/1125719310.db2.gz ANXSRIBWGYMKRB-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@@H](C)F)C2)CC1 ZINC001436411935 1087764344 /nfs/dbraw/zinc/76/43/44/1087764344.db2.gz SYHGRIBIQUUOCY-INMHGKMJSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001436459789 1087908312 /nfs/dbraw/zinc/90/83/12/1087908312.db2.gz NSPHJXGBWBSGBF-MOPGFXCFSA-N 2 0 329.488 2.227 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(C)C)n2)C1 ZINC001436974665 1088667168 /nfs/dbraw/zinc/66/71/68/1088667168.db2.gz FMLTZTNBHSRECS-CALCHBBNSA-N 2 0 332.492 2.284 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCCN2C(=O)CC[NH+](C)C)on1 ZINC001437060585 1088962403 /nfs/dbraw/zinc/96/24/03/1088962403.db2.gz WYUUEJLCQCVHNO-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001437061258 1088967683 /nfs/dbraw/zinc/96/76/83/1088967683.db2.gz DEQUHVTXZXDRDV-HOCLYGCPSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@H]21)[NH+](C)C ZINC001437078630 1089015697 /nfs/dbraw/zinc/01/56/97/1089015697.db2.gz APQMRBLECLYSGI-FTWQHDNSSA-N 2 0 329.488 2.443 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001437089182 1089037391 /nfs/dbraw/zinc/03/73/91/1089037391.db2.gz IWPDFXGAIHKSCU-CTWPCTMYSA-N 2 0 347.503 2.077 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437132234 1089121624 /nfs/dbraw/zinc/12/16/24/1089121624.db2.gz QERVCBYRKYQRGU-KSSFIOAISA-N 2 0 333.451 2.070 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001437217676 1089299523 /nfs/dbraw/zinc/29/95/23/1089299523.db2.gz VWVARWCKUAEQMH-WMLDXEAASA-N 2 0 336.455 2.078 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001437256880 1089388883 /nfs/dbraw/zinc/38/88/83/1089388883.db2.gz AVICJQQSVJPKMQ-YMBFEGSUSA-N 2 0 335.879 2.399 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001437385100 1089636841 /nfs/dbraw/zinc/63/68/41/1089636841.db2.gz PLWQBACUHAXJLH-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437416779 1089698548 /nfs/dbraw/zinc/69/85/48/1089698548.db2.gz FPQOJJHROMOFAH-OAHLLOKOSA-N 2 0 333.451 2.214 10 0 EEAERP CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ncc(C)o1 ZINC001437621357 1090132927 /nfs/dbraw/zinc/13/29/27/1090132927.db2.gz WMHDMYVGCKXSBT-BPUTZDHNSA-N 2 0 336.480 2.212 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2CCC[NH+]2CCCF)C1 ZINC001437673633 1090203339 /nfs/dbraw/zinc/20/33/39/1090203339.db2.gz BMISSQZAOBTUPM-RHSMWYFYSA-N 2 0 331.451 2.139 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1 ZINC001438181917 1090686318 /nfs/dbraw/zinc/68/63/18/1090686318.db2.gz XYPHPSFXXDAKSB-FHWLQOOXSA-N 2 0 349.519 2.107 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cccc(OC)c1 ZINC001438291896 1090773228 /nfs/dbraw/zinc/77/32/28/1090773228.db2.gz CEVJCRHUJLGOFN-YTQUADARSA-N 2 0 347.503 2.410 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001438310813 1090789418 /nfs/dbraw/zinc/78/94/18/1090789418.db2.gz GWOGHSSCLBMPKB-QAPCUYQASA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccnc1 ZINC001438337544 1090813275 /nfs/dbraw/zinc/81/32/75/1090813275.db2.gz CSQNFWHWPAOWIH-SJLPKXTDSA-N 2 0 332.492 2.331 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccns1 ZINC001438344320 1090821259 /nfs/dbraw/zinc/82/12/59/1090821259.db2.gz PCLKJOVIKBJTNO-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001438463248 1090971117 /nfs/dbraw/zinc/97/11/17/1090971117.db2.gz ACEZFWLKWCSIFW-INIZCTEOSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001438556251 1091049089 /nfs/dbraw/zinc/04/90/89/1091049089.db2.gz QAHYDKIKHKZVKS-RDTXWAMCSA-N 2 0 333.451 2.251 10 0 EEAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001438615134 1091104874 /nfs/dbraw/zinc/10/48/74/1091104874.db2.gz ZQTRVDQHZGMOOB-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438639261 1091120340 /nfs/dbraw/zinc/12/03/40/1091120340.db2.gz FVYUDIPOFXWXNV-HDMKZQKVSA-N 2 0 335.467 2.433 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445430290 1091187027 /nfs/dbraw/zinc/18/70/27/1091187027.db2.gz VOWHFOSHUNUZME-IKGGRYGDSA-N 2 0 346.519 2.077 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438707529 1091220494 /nfs/dbraw/zinc/22/04/94/1091220494.db2.gz GLUNSRVFRAIBAG-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1nc(CNC[C@H](C)N(C)C(=O)[C@@H](c2ccccc2)N(C)C)co1 ZINC001438709820 1091224044 /nfs/dbraw/zinc/22/40/44/1091224044.db2.gz BXSSRRHPEBHXOL-KBXCAEBGSA-N 2 0 344.459 2.222 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)C[NH+]1CCCC1 ZINC001438724634 1091254883 /nfs/dbraw/zinc/25/48/83/1091254883.db2.gz UJFTWKDLEUCYKF-KSSFIOAISA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)C)o1 ZINC001438797835 1091402594 /nfs/dbraw/zinc/40/25/94/1091402594.db2.gz AVKYMITVRDCEKL-SJORKVTESA-N 2 0 336.480 2.086 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001438800276 1091406104 /nfs/dbraw/zinc/40/61/04/1091406104.db2.gz CTKATMBUWRQICC-IRXDYDNUSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2ncccc2c1)NC(=O)C[NH+]1CCCC1 ZINC001445871189 1091795703 /nfs/dbraw/zinc/79/57/03/1091795703.db2.gz OQUJXAWJXNGIIB-MRXNPFEDSA-N 2 0 340.471 2.267 10 0 EEAERP C[C@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001439158150 1091800954 /nfs/dbraw/zinc/80/09/54/1091800954.db2.gz HTIJUOJWQDDCDA-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439179598 1091827135 /nfs/dbraw/zinc/82/71/35/1091827135.db2.gz NAVIMLPWTYPLDK-DOMZBBRYSA-N 2 0 325.403 2.170 10 0 EEAERP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1cc(F)ccc1F ZINC001445966832 1091920279 /nfs/dbraw/zinc/92/02/79/1091920279.db2.gz JZIQFOULMSGCIZ-PXAZEXFGSA-N 2 0 339.430 2.462 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)n1 ZINC001439367214 1092096230 /nfs/dbraw/zinc/09/62/30/1092096230.db2.gz OVSNLHNPVXDGSG-DLBZAZTESA-N 2 0 346.519 2.483 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[N@H+](C)CCCC(C)(C)C ZINC001439403281 1092160150 /nfs/dbraw/zinc/16/01/50/1092160150.db2.gz HHVWFFAGPMXVLQ-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001446207236 1092288665 /nfs/dbraw/zinc/28/86/65/1092288665.db2.gz YMLHLNQJRVHSOQ-CQSZACIVSA-N 2 0 327.432 2.165 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439913132 1092986021 /nfs/dbraw/zinc/98/60/21/1092986021.db2.gz LBEKIBGEOWPRTG-FUHWJXTLSA-N 2 0 335.517 2.336 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccn1)C2)C1CCC1 ZINC001440096959 1093161360 /nfs/dbraw/zinc/16/13/60/1093161360.db2.gz GSIGHCZDWMDQGF-WDYCEAGBSA-N 2 0 342.487 2.035 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)CC2)co1 ZINC001440125689 1093186815 /nfs/dbraw/zinc/18/68/15/1093186815.db2.gz CBPQKPGXQYUSKO-QAQDUYKDSA-N 2 0 348.491 2.091 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CCC2)c1 ZINC001440357340 1093513383 /nfs/dbraw/zinc/51/33/83/1093513383.db2.gz SCFOUWYDNCAFBY-IRXDYDNUSA-N 2 0 344.503 2.391 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001440399654 1093584353 /nfs/dbraw/zinc/58/43/53/1093584353.db2.gz USPKNODPALUEAD-GOSISDBHSA-N 2 0 346.519 2.175 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1 ZINC001440412167 1093606343 /nfs/dbraw/zinc/60/63/43/1093606343.db2.gz QEZDBAAKKFCVRY-JKSUJKDBSA-N 2 0 336.480 2.008 10 0 EEAERP CN(CCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001440433125 1093637719 /nfs/dbraw/zinc/63/77/19/1093637719.db2.gz WUDWWJGCRFHXRH-CABCVRRESA-N 2 0 331.451 2.296 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)NCc1cc(C(C)(C)C)on1 ZINC001448662925 1093730289 /nfs/dbraw/zinc/73/02/89/1093730289.db2.gz OOPMGAQDBVAIRO-ZFWWWQNUSA-N 2 0 336.480 2.003 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC2(C[NH+](CC3CCCCC3)C2)O1 ZINC001440514434 1093762294 /nfs/dbraw/zinc/76/22/94/1093762294.db2.gz MLVQFOCIHRNHBR-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@H]1CCOC1 ZINC001448707262 1093773824 /nfs/dbraw/zinc/77/38/24/1093773824.db2.gz WXHSMOHRZSSTDA-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440672402 1093935912 /nfs/dbraw/zinc/93/59/12/1093935912.db2.gz LVWIPVLZTHZHSS-HOTGVXAUSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001440729175 1093974856 /nfs/dbraw/zinc/97/48/56/1093974856.db2.gz XMVNPYOCOZZTAI-HZPDHXFCSA-N 2 0 325.472 2.286 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)nsc2C)C[C@@H]1C ZINC001448998559 1093996792 /nfs/dbraw/zinc/99/67/92/1093996792.db2.gz BDMOZRYBAKUTHJ-WFASDCNBSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001440800039 1094043875 /nfs/dbraw/zinc/04/38/75/1094043875.db2.gz MMSNYLVMEYSFTG-HZPDHXFCSA-N 2 0 341.540 2.264 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCc1c(F)cccc1F ZINC001440907982 1094162673 /nfs/dbraw/zinc/16/26/73/1094162673.db2.gz DRFXDBNNVKIBRK-DYVFJYSZSA-N 2 0 339.430 2.038 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001449355651 1094319499 /nfs/dbraw/zinc/31/94/99/1094319499.db2.gz ZMFUYFBXCRZEIJ-OHSAMQRYSA-N 2 0 327.900 2.297 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1C ZINC001441040429 1094333909 /nfs/dbraw/zinc/33/39/09/1094333909.db2.gz VQIKUXLXMRAFQR-QAPCUYQASA-N 2 0 332.492 2.201 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001441095638 1094395453 /nfs/dbraw/zinc/39/54/53/1094395453.db2.gz FMGKKLDAPDWTED-ZWKOTPCHSA-N 2 0 335.467 2.365 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cnc(C)o1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441117220 1094435394 /nfs/dbraw/zinc/43/53/94/1094435394.db2.gz LGCGSKCZHBFLLP-DOTOQJQBSA-N 2 0 336.480 2.232 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3coc(C)n3)C[C@@H]2C1 ZINC001441343323 1094845135 /nfs/dbraw/zinc/84/51/35/1094845135.db2.gz UGBUFGBILJDLPU-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CCCF)C[C@H]2C1 ZINC001441345054 1094852262 /nfs/dbraw/zinc/85/22/62/1094852262.db2.gz ZDTKVGSIBHTJQL-GVDBMIGSSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C1)[NH+](C)C ZINC001441405328 1094979907 /nfs/dbraw/zinc/97/99/07/1094979907.db2.gz RCTVGIWEERVUAS-MKBNYLNASA-N 2 0 325.403 2.042 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001441598689 1095442342 /nfs/dbraw/zinc/44/23/42/1095442342.db2.gz TXTPNPOPYZGLDQ-LBPRGKRZSA-N 2 0 338.521 2.038 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001441620281 1095489068 /nfs/dbraw/zinc/48/90/68/1095489068.db2.gz QRGQPLBDOLUORS-XPWVWULPSA-N 2 0 348.318 2.475 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC001441658543 1095623574 /nfs/dbraw/zinc/62/35/74/1095623574.db2.gz OCDWZXRIBMUDBU-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]21)c1ccccc1 ZINC001441729949 1095711790 /nfs/dbraw/zinc/71/17/90/1095711790.db2.gz RFTWKJPQLPQIJI-IQRFUGTFSA-N 2 0 347.478 2.474 10 0 EEAERP COc1ccc(CC[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1 ZINC001441826032 1095872894 /nfs/dbraw/zinc/87/28/94/1095872894.db2.gz UHYUBGMFDJTWQX-QFBILLFUSA-N 2 0 347.503 2.157 10 0 EEAERP CCCOc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001441826976 1095873232 /nfs/dbraw/zinc/87/32/32/1095873232.db2.gz OVMZWYVHKWWOQR-FRQCXROJSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)on1 ZINC001441867114 1095977634 /nfs/dbraw/zinc/97/76/34/1095977634.db2.gz GXPWJPMKXYTCPT-CQSZACIVSA-N 2 0 336.480 2.230 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC001441948611 1096148181 /nfs/dbraw/zinc/14/81/81/1096148181.db2.gz QSJIIOPXCZYOEM-ZOBUZTSGSA-N 2 0 347.503 2.328 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001442105820 1096332080 /nfs/dbraw/zinc/33/20/80/1096332080.db2.gz PZLOTOSLIMBPDI-SJORKVTESA-N 2 0 327.513 2.063 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ncc(C)s1)C(C)(C)C)[NH+](C)C ZINC001442152357 1096405669 /nfs/dbraw/zinc/40/56/69/1096405669.db2.gz QFLLRGGZGQRDHL-KGLIPLIRSA-N 2 0 340.537 2.412 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001442226244 1096522786 /nfs/dbraw/zinc/52/27/86/1096522786.db2.gz YPIGCUIEZMOJNC-INIZCTEOSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001442226335 1096523340 /nfs/dbraw/zinc/52/33/40/1096523340.db2.gz NXIASNMRWLUBFI-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CC[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001442243705 1096544864 /nfs/dbraw/zinc/54/48/64/1096544864.db2.gz PZDRFFTYGKVISP-LPHOPBHVSA-N 2 0 331.504 2.370 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1F ZINC001442253301 1096554052 /nfs/dbraw/zinc/55/40/52/1096554052.db2.gz JUPCAINMKRNNAA-XJKCOSOUSA-N 2 0 339.430 2.289 10 0 EEAERP COCc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001442489260 1096829277 /nfs/dbraw/zinc/82/92/77/1096829277.db2.gz PKBLFOLLNDCKNI-LPHOPBHVSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001442578059 1096942241 /nfs/dbraw/zinc/94/22/41/1096942241.db2.gz SPCJQRQKUXNGNZ-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(O)c1 ZINC001442928309 1097337618 /nfs/dbraw/zinc/33/76/18/1097337618.db2.gz YQHFDUHOAWVWCP-OAHLLOKOSA-N 2 0 337.439 2.019 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)cc1C ZINC001443239520 1097705939 /nfs/dbraw/zinc/70/59/39/1097705939.db2.gz GWSIWCXBCAXLKM-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001443976094 1098493903 /nfs/dbraw/zinc/49/39/03/1098493903.db2.gz DCJDHGNOPCLHMB-HOTGVXAUSA-N 2 0 349.523 2.308 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001479641965 1098671631 /nfs/dbraw/zinc/67/16/31/1098671631.db2.gz UTBAGRFJUDYLSK-ZSYWTGECSA-N 2 0 347.503 2.029 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+][C@@H](C)c2ncccn2)C1 ZINC001444159682 1098707322 /nfs/dbraw/zinc/70/73/22/1098707322.db2.gz NEEFFCDYNYJCAV-IRXDYDNUSA-N 2 0 347.507 2.096 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001479707182 1098781495 /nfs/dbraw/zinc/78/14/95/1098781495.db2.gz VVZFBFPQAGIBIV-FGTMMUONSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cccc(F)c1F ZINC001479816405 1099088603 /nfs/dbraw/zinc/08/86/03/1099088603.db2.gz UHLLNLGAEHGUGH-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP COCCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828820 1099109541 /nfs/dbraw/zinc/10/95/41/1099109541.db2.gz FGTIJMRPJGWPIS-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC001444517499 1099263445 /nfs/dbraw/zinc/26/34/45/1099263445.db2.gz DEBLVLKWYFITIV-UHFFFAOYSA-N 2 0 339.430 2.435 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444669532 1099509992 /nfs/dbraw/zinc/50/99/92/1099509992.db2.gz QLNBPHMSSZUPLL-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001444794860 1099709730 /nfs/dbraw/zinc/70/97/30/1099709730.db2.gz UBFWHOMNJIBEJW-KRWDZBQOSA-N 2 0 336.480 2.089 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001444798022 1099715635 /nfs/dbraw/zinc/71/56/35/1099715635.db2.gz XQAIAOWVQRSCSP-RHSMWYFYSA-N 2 0 348.491 2.220 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCOC(C)C)CC[C@H]21 ZINC001480187380 1099781293 /nfs/dbraw/zinc/78/12/93/1099781293.db2.gz CBQGLUYWZSQIHG-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[N@H+](C)CCC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC001444844227 1099815384 /nfs/dbraw/zinc/81/53/84/1099815384.db2.gz XCRUFUPHNPIIKQ-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001480228345 1099850818 /nfs/dbraw/zinc/85/08/18/1099850818.db2.gz VYFHVTGWJADDTL-XWTMOSNGSA-N 2 0 337.508 2.055 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)sc1C ZINC001444866257 1099861196 /nfs/dbraw/zinc/86/11/96/1099861196.db2.gz NRLSZSIQGJQMFG-CABCVRRESA-N 2 0 338.521 2.085 10 0 EEAERP C[C@H](O)CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001480361074 1100133245 /nfs/dbraw/zinc/13/32/45/1100133245.db2.gz HTRVMRSMWWWWTP-IRXDYDNUSA-N 2 0 341.540 2.096 10 0 EEAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1CCn2ccnc2C1 ZINC001445002950 1100140873 /nfs/dbraw/zinc/14/08/73/1100140873.db2.gz DAVRSPAWLPIZNK-KRWDZBQOSA-N 2 0 344.503 2.416 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(F)c(Cl)c1)C(=O)CC[NH+](C)C ZINC001445026463 1100189966 /nfs/dbraw/zinc/18/99/66/1100189966.db2.gz LHSSQCJCEJXROO-UHFFFAOYSA-N 2 0 329.847 2.321 10 0 EEAERP Cc1nc(C)c(C[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)s1 ZINC001480407883 1100223794 /nfs/dbraw/zinc/22/37/94/1100223794.db2.gz HVOZDHKPUSCBPC-UHFFFAOYSA-N 2 0 338.521 2.229 10 0 EEAERP CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001480462531 1100266832 /nfs/dbraw/zinc/26/68/32/1100266832.db2.gz LGUIKCGSZATFNW-BEFAXECRSA-N 2 0 329.488 2.185 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480472068 1100279479 /nfs/dbraw/zinc/27/94/79/1100279479.db2.gz MUOBMYVFIVQKTB-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001480596437 1100444849 /nfs/dbraw/zinc/44/48/49/1100444849.db2.gz JQAFBZHNKMKVKW-QGZVFWFLSA-N 2 0 346.519 2.223 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+][C@@H](C)c2cnc(C)cn2)CCCC1)[NH+](C)C ZINC001495188510 1100866617 /nfs/dbraw/zinc/86/66/17/1100866617.db2.gz PKLIHRJFUCAMJA-RDJZCZTQSA-N 2 0 347.507 2.205 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)sc1C ZINC001446450397 1100871405 /nfs/dbraw/zinc/87/14/05/1100871405.db2.gz WDKRYXQJOJOXQU-WFASDCNBSA-N 2 0 338.521 2.181 10 0 EEAERP Cc1nc(CN2CCC(C)(NC(=O)C[N@@H+](C)C3CCC3)CC2)c(C)o1 ZINC001446472231 1100895274 /nfs/dbraw/zinc/89/52/74/1100895274.db2.gz KQKGABHDNBDFNL-UHFFFAOYSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001496375231 1100967894 /nfs/dbraw/zinc/96/78/94/1100967894.db2.gz LBBQMHLSTOGKLF-ZFWWWQNUSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncc(C[NH2+]C[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C2CC2)o1 ZINC001495293048 1100992146 /nfs/dbraw/zinc/99/21/46/1100992146.db2.gz QSVXQNKZFZAYCV-IBGZPJMESA-N 2 0 348.491 2.089 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001496414022 1101006845 /nfs/dbraw/zinc/00/68/45/1101006845.db2.gz JGZCIRCHXVVLII-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]Cc2ccon2)C1)C12CCC[NH+]1CCC2 ZINC001495361577 1101076632 /nfs/dbraw/zinc/07/66/32/1101076632.db2.gz ZGSRXBJLGXBIBJ-MRXNPFEDSA-N 2 0 346.475 2.021 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccsc3)C2)C1 ZINC001446604303 1101101031 /nfs/dbraw/zinc/10/10/31/1101101031.db2.gz KGDCWWKOGCHVHM-YJBOKZPZSA-N 2 0 335.517 2.418 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(CF)cc1 ZINC001496533004 1101132121 /nfs/dbraw/zinc/13/21/21/1101132121.db2.gz DLWINVICELZLNT-MSOLQXFVSA-N 2 0 335.467 2.481 10 0 EEAERP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC(CC[NH2+]C/C=C/Cl)CC1 ZINC001495415857 1101135487 /nfs/dbraw/zinc/13/54/87/1101135487.db2.gz NATGCHQSYICTLV-ROXWUAQJSA-N 2 0 336.867 2.484 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001446692370 1101254481 /nfs/dbraw/zinc/25/44/81/1101254481.db2.gz DAQCHCMYHVSJHI-GOSISDBHSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[N@H+](CCCF)CCC1(F)F)[NH+]1CCCC1 ZINC001446727953 1101301442 /nfs/dbraw/zinc/30/14/42/1101301442.db2.gz RFUGDASHSVPEOR-AWEZNQCLSA-N 2 0 349.441 2.294 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(O)ccc1Cl ZINC001495811464 1101629285 /nfs/dbraw/zinc/62/92/85/1101629285.db2.gz DYEGINOOVIMRLB-CYBMUJFWSA-N 2 0 341.883 2.228 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001495817317 1101637565 /nfs/dbraw/zinc/63/75/65/1101637565.db2.gz YHSTXEIJVSVKMC-GOEBONIOSA-N 2 0 338.521 2.105 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001495987173 1101899939 /nfs/dbraw/zinc/89/99/39/1101899939.db2.gz PJLSWSHBQZPVSP-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496083675 1102030790 /nfs/dbraw/zinc/03/07/90/1102030790.db2.gz WBSHASKEWCICTB-ZDUSSCGKSA-N 2 0 339.430 2.386 10 0 EEAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497188975 1102095407 /nfs/dbraw/zinc/09/54/07/1102095407.db2.gz PNUDBCZLUVEGGP-CQSZACIVSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001496153336 1102145907 /nfs/dbraw/zinc/14/59/07/1102145907.db2.gz HIJNIVZFWMLBKQ-KDOFPFPSSA-N 2 0 327.488 2.436 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497611399 1102747803 /nfs/dbraw/zinc/74/78/03/1102747803.db2.gz JBFZMKOMQXKIIE-WLMAVBAVSA-N 2 0 327.472 2.466 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001447543245 1102824616 /nfs/dbraw/zinc/82/46/16/1102824616.db2.gz OAGNWDKJOQQBFU-YOEHRIQHSA-N 2 0 337.895 2.271 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001447565374 1102873271 /nfs/dbraw/zinc/87/32/71/1102873271.db2.gz PDAZXNXROIUTMM-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001493898890 1103077324 /nfs/dbraw/zinc/07/73/24/1103077324.db2.gz MEQQCNYRUHYFDD-IEBWSBKVSA-N 2 0 347.503 2.344 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001447675493 1103098235 /nfs/dbraw/zinc/09/82/35/1103098235.db2.gz NJLPZYAYQSMHRQ-YOEHRIQHSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001447780843 1103318214 /nfs/dbraw/zinc/31/82/14/1103318214.db2.gz LEAHGBACEXPLPD-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001497927491 1103352425 /nfs/dbraw/zinc/35/24/25/1103352425.db2.gz VZYYMHWUXXQSIS-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447895045 1103538943 /nfs/dbraw/zinc/53/89/43/1103538943.db2.gz GENBJGQYODEGFX-CABCVRRESA-N 2 0 334.508 2.448 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001447929517 1103622817 /nfs/dbraw/zinc/62/28/17/1103622817.db2.gz GAAQZKDOLFMRCT-GJZGRUSLSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447930507 1103626414 /nfs/dbraw/zinc/62/64/14/1103626414.db2.gz JGVNWCLYAVMEBZ-JKSUJKDBSA-N 2 0 331.504 2.498 10 0 EEAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001447935445 1103639608 /nfs/dbraw/zinc/63/96/08/1103639608.db2.gz RISAYWPFEZWULJ-HZPDHXFCSA-N 2 0 347.503 2.271 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001447942327 1103653562 /nfs/dbraw/zinc/65/35/62/1103653562.db2.gz ZNRKZIPQPMJVHV-KBPBESRZSA-N 2 0 335.879 2.419 10 0 EEAERP CN(CC(C)(C)C[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001447993169 1103757863 /nfs/dbraw/zinc/75/78/63/1103757863.db2.gz PITCALWDXNHCGL-LSDHHAIUSA-N 2 0 345.478 2.448 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCc1ccsc1 ZINC001448015711 1103807533 /nfs/dbraw/zinc/80/75/33/1103807533.db2.gz NKXQAJRXMZNOEU-MAUKXSAKSA-N 2 0 349.544 2.459 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1)[NH+](C)C ZINC001494319318 1103889515 /nfs/dbraw/zinc/88/95/15/1103889515.db2.gz FCXLSAPOFSGGEC-KSZLIROESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(CF)cc1 ZINC001448089658 1103977630 /nfs/dbraw/zinc/97/76/30/1103977630.db2.gz FCQQPERDSRBBAN-HOTGVXAUSA-N 2 0 335.467 2.434 10 0 EEAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001494567884 1104155760 /nfs/dbraw/zinc/15/57/60/1104155760.db2.gz ICLDHHHJYNANCF-CQSZACIVSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cc(C)ncn1 ZINC001495069397 1104708905 /nfs/dbraw/zinc/70/89/05/1104708905.db2.gz WRGKSSKPCNQTPI-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001497983558 1106737206 /nfs/dbraw/zinc/73/72/06/1106737206.db2.gz GSJYCVDDPGJICS-GFCCVEGCSA-N 2 0 327.831 2.169 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001497992032 1106749745 /nfs/dbraw/zinc/74/97/45/1106749745.db2.gz AGYYLEBSBNJJRA-UKRRQHHQSA-N 2 0 331.451 2.246 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497992983 1106750652 /nfs/dbraw/zinc/75/06/52/1106750652.db2.gz LFMSNBVDCSTJDR-CRAIPNDOSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001480647069 1106815426 /nfs/dbraw/zinc/81/54/26/1106815426.db2.gz XHMBWBZLXDYGKA-JFIYKMOQSA-N 2 0 347.478 2.147 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccncc1Cl ZINC001498042724 1106824546 /nfs/dbraw/zinc/82/45/46/1106824546.db2.gz VWGADHVXCYVLHK-BBRMVZONSA-N 2 0 338.883 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1)[NH+](C)C ZINC001480664576 1106845551 /nfs/dbraw/zinc/84/55/51/1106845551.db2.gz BHKKPMKXWQYDSK-ULNHMINQSA-N 2 0 329.488 2.478 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)ccc1C ZINC001498060167 1106861107 /nfs/dbraw/zinc/86/11/07/1106861107.db2.gz MVFSBYKHUCYTOH-DOTOQJQBSA-N 2 0 333.476 2.082 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480696760 1106905209 /nfs/dbraw/zinc/90/52/09/1106905209.db2.gz ARSBBUPYAABQRM-IAGOWNOFSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498096315 1106914447 /nfs/dbraw/zinc/91/44/47/1106914447.db2.gz LZYSTRQHCWZPSL-LBPRGKRZSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001480723783 1106969637 /nfs/dbraw/zinc/96/96/37/1106969637.db2.gz DIZAVGXKVVZAMY-KZNAEPCWSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001498191000 1107054037 /nfs/dbraw/zinc/05/40/37/1107054037.db2.gz ZTILRLVWJHITMA-LBPRGKRZSA-N 2 0 327.831 2.169 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1F ZINC001480808117 1107153139 /nfs/dbraw/zinc/15/31/39/1107153139.db2.gz BFGUVZDARLILIQ-CYBMUJFWSA-N 2 0 325.403 2.045 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480828211 1107210261 /nfs/dbraw/zinc/21/02/61/1107210261.db2.gz LZFFPYRNHHPKAL-SJORKVTESA-N 2 0 348.491 2.328 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC001493044317 1107381041 /nfs/dbraw/zinc/38/10/41/1107381041.db2.gz ZTINSTFHWBRRTG-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccccc1F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001498381008 1107424092 /nfs/dbraw/zinc/42/40/92/1107424092.db2.gz LZDSZIMBPLPYLY-HOTGVXAUSA-N 2 0 335.467 2.147 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493212938 1107694780 /nfs/dbraw/zinc/69/47/80/1107694780.db2.gz QDYLHYXNSICUAJ-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[C@H](C)n2ccnc2)o1 ZINC001498620167 1107823958 /nfs/dbraw/zinc/82/39/58/1107823958.db2.gz HUXXQRPNLDJXPQ-ZFWWWQNUSA-N 2 0 333.436 2.330 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]Cc2conc2C)C2CC2)C1 ZINC001498808641 1108143340 /nfs/dbraw/zinc/14/33/40/1108143340.db2.gz WXDLDHFEQROIPJ-SJLPKXTDSA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CC2CCC3(CC3)CC2)C2CC2)C1 ZINC001493445623 1108170172 /nfs/dbraw/zinc/17/01/72/1108170172.db2.gz RLYYIZXNSBRCIZ-KRWDZBQOSA-N 2 0 333.520 2.489 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001498823118 1108171197 /nfs/dbraw/zinc/17/11/97/1108171197.db2.gz YUDNOPUZMWLPES-BEFAXECRSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)CC[NH+]2CCCCC2)s1 ZINC001493806155 1108685999 /nfs/dbraw/zinc/68/59/99/1108685999.db2.gz GJDQDZICZBCAFZ-UHFFFAOYSA-N 2 0 338.521 2.184 10 0 EEAERP CO[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCOC1 ZINC001460804325 1110324590 /nfs/dbraw/zinc/32/45/90/1110324590.db2.gz NSJDUFLWAXBJHU-IVAOSVALSA-N 2 0 344.499 2.492 10 0 EEAERP CO[C@@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCOC1 ZINC001460804324 1110324775 /nfs/dbraw/zinc/32/47/75/1110324775.db2.gz NSJDUFLWAXBJHU-CGXNFDGLSA-N 2 0 344.499 2.492 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001470382351 1110505573 /nfs/dbraw/zinc/50/55/73/1110505573.db2.gz HJYYLCQOZFZRKQ-IRXDYDNUSA-N 2 0 347.507 2.422 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001470962140 1110515000 /nfs/dbraw/zinc/51/50/00/1110515000.db2.gz HMUDDFYIVNXAFL-FQEVSTJZSA-N 2 0 337.467 2.405 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001471798613 1110531309 /nfs/dbraw/zinc/53/13/09/1110531309.db2.gz UIMWCOTVPRSWGQ-IKGGRYGDSA-N 2 0 339.524 2.160 10 0 EEAERP O=C1OC[C@@H]2C[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C[C@H]12 ZINC001473693463 1110578653 /nfs/dbraw/zinc/57/86/53/1110578653.db2.gz JWXYYBWKUULIFB-PMACEKPBSA-N 2 0 342.483 2.436 10 0 EEAERP Cc1cc(C)cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001479267200 1110672438 /nfs/dbraw/zinc/67/24/38/1110672438.db2.gz VSHBZZHRGOKSTH-LJQANCHMSA-N 2 0 329.488 2.432 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001479320421 1110680886 /nfs/dbraw/zinc/68/08/86/1110680886.db2.gz DEHADZQVONVAHE-ZNMIVQPWSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001479474613 1110698914 /nfs/dbraw/zinc/69/89/14/1110698914.db2.gz ILOMQBNSJBZICY-DOTOQJQBSA-N 2 0 335.467 2.460 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001499184511 1112167328 /nfs/dbraw/zinc/16/73/28/1112167328.db2.gz XXCRZLINBXFKIE-DNXKIMQPSA-N 2 0 327.472 2.423 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001499897931 1112532712 /nfs/dbraw/zinc/53/27/12/1112532712.db2.gz VEBFWDCIPYHEAT-QWHCGFSZSA-N 2 0 341.393 2.199 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001500457227 1112847127 /nfs/dbraw/zinc/84/71/27/1112847127.db2.gz FKNRZZQYRYXEHI-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001501569427 1113385998 /nfs/dbraw/zinc/38/59/98/1113385998.db2.gz YANZJLBPJSDYQC-SJLPKXTDSA-N 2 0 348.491 2.184 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001501895048 1113514249 /nfs/dbraw/zinc/51/42/49/1113514249.db2.gz SMAYGHFNYWBHHN-CYBMUJFWSA-N 2 0 333.398 2.005 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001502147251 1113616426 /nfs/dbraw/zinc/61/64/26/1113616426.db2.gz FNNHXSGFKWSRMQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H]2CCCCO2)CC1(C)C ZINC001502838309 1113829793 /nfs/dbraw/zinc/82/97/93/1113829793.db2.gz FMWFKGOSXQNSPD-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1c2ccccc2CC[NH+]1CC1CC1 ZINC001503692945 1113900848 /nfs/dbraw/zinc/90/08/48/1113900848.db2.gz ZLEXCJKMRHLYSM-IBGZPJMESA-N 2 0 329.488 2.452 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccncc2Cl)C1 ZINC001505537682 1114039259 /nfs/dbraw/zinc/03/92/59/1114039259.db2.gz IQKKYSDCTCDWRP-UHFFFAOYSA-N 2 0 338.883 2.060 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001505716428 1114148240 /nfs/dbraw/zinc/14/82/40/1114148240.db2.gz HEZHESORZDBRKW-IAGOWNOFSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505952667 1114297348 /nfs/dbraw/zinc/29/73/48/1114297348.db2.gz FBDFWJMYCILDNQ-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506039541 1114366168 /nfs/dbraw/zinc/36/61/68/1114366168.db2.gz WGCGRAFPKVLJCO-WMZOPIPTSA-N 2 0 343.515 2.454 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@@H]2C1 ZINC001506851211 1114914050 /nfs/dbraw/zinc/91/40/50/1114914050.db2.gz CRQMOLFWAGOBPD-MELADBBJSA-N 2 0 348.318 2.474 10 0 EEAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001506860785 1114926983 /nfs/dbraw/zinc/92/69/83/1114926983.db2.gz YQADZHGMFHPZCS-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001506923768 1114976844 /nfs/dbraw/zinc/97/68/44/1114976844.db2.gz RWPOTQLGSYJVJD-XJKSGUPXSA-N 2 0 343.462 2.248 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C\Cl ZINC001506992878 1115038081 /nfs/dbraw/zinc/03/80/81/1115038081.db2.gz URAQOTZJQLUVHK-ZMCCTTKHSA-N 2 0 336.307 2.378 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001507074510 1115094401 /nfs/dbraw/zinc/09/44/01/1115094401.db2.gz VBIQMMZVIVRYAL-AWEZNQCLSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001507093339 1115104392 /nfs/dbraw/zinc/10/43/92/1115104392.db2.gz VGAIQSMJRHFWBZ-LBPRGKRZSA-N 2 0 341.415 2.189 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001507293342 1115177286 /nfs/dbraw/zinc/17/72/86/1115177286.db2.gz MJBRWNFREFKXAE-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001507296355 1115179286 /nfs/dbraw/zinc/17/92/86/1115179286.db2.gz IVERLBWYUTYKLR-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)CC[NH+](C)C ZINC001507315735 1115188265 /nfs/dbraw/zinc/18/82/65/1115188265.db2.gz CDGFBHXVNANIKO-QAPCUYQASA-N 2 0 335.467 2.289 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOc2ccccc2C)C[C@@H]1C ZINC001507334586 1115198666 /nfs/dbraw/zinc/19/86/66/1115198666.db2.gz VPYFFGGSGGVWPM-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001507449579 1115275829 /nfs/dbraw/zinc/27/58/29/1115275829.db2.gz HPZRYGPUGJRUOI-KRWDZBQOSA-N 2 0 333.520 2.489 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001508116539 1115422686 /nfs/dbraw/zinc/42/26/86/1115422686.db2.gz YRNUQCSISDLZMU-MOKVOYLWSA-N 2 0 335.414 2.392 10 0 EEAERP CC[C@H](C(=O)NCC1=CCN([C@H](C)c2ncc(C)o2)CC1)[NH+](C)C ZINC001508208017 1115444707 /nfs/dbraw/zinc/44/47/07/1115444707.db2.gz AFRHASGYIMDGKF-GDBMZVCRSA-N 2 0 334.464 2.133 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC001508219900 1115449590 /nfs/dbraw/zinc/44/95/90/1115449590.db2.gz IMNPDEQIEPRMBV-UHFFFAOYSA-N 2 0 341.499 2.375 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001567914384 1124176113 /nfs/dbraw/zinc/17/61/13/1124176113.db2.gz SRMAJBWUBDJNLO-QGZVFWFLSA-N 2 0 339.524 2.209 10 0 EEAERP COCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568056451 1124261778 /nfs/dbraw/zinc/26/17/78/1124261778.db2.gz DBGVCCZPUXFGIN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568678494 1124690841 /nfs/dbraw/zinc/69/08/41/1124690841.db2.gz SFVHNVHVBWPFKC-KSSFIOAISA-N 2 0 327.488 2.483 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001568874047 1124900189 /nfs/dbraw/zinc/90/01/89/1124900189.db2.gz YGZJTXSTAFDWFF-HZQHCPKGSA-N 2 0 341.499 2.422 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccnc1)[NH+]1CCCCCC1 ZINC001568927983 1124958291 /nfs/dbraw/zinc/95/82/91/1124958291.db2.gz FVBWREOAPXCZJN-VGOKWCNXSA-N 2 0 330.476 2.108 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569013940 1125041566 /nfs/dbraw/zinc/04/15/66/1125041566.db2.gz HXXVBFMPQUSPFP-AEFFLSMTSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001565856101 1125436935 /nfs/dbraw/zinc/43/69/35/1125436935.db2.gz DSMPMLOHMJRTBC-SLFFLAALSA-N 2 0 343.515 2.364 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000088687415 539370340 /nfs/dbraw/zinc/37/03/40/539370340.db2.gz IMDRBQDPOXORLG-LJQANCHMSA-N 2 0 330.520 2.402 10 0 EEAERP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090938873 539377881 /nfs/dbraw/zinc/37/78/81/539377881.db2.gz WZLXRPNUJYFVRV-CABCVRRESA-N 2 0 328.460 2.105 10 0 EEAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092509824 539385429 /nfs/dbraw/zinc/38/54/29/539385429.db2.gz RRKFJZFZXSSSPX-LJQANCHMSA-N 2 0 347.503 2.460 10 0 EEAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C2)C1 ZINC000416241095 530064939 /nfs/dbraw/zinc/06/49/39/530064939.db2.gz OOXPIIHEMZRMAW-NRFANRHFSA-N 2 0 341.499 2.379 10 0 EEAERP COc1cc(C[C@H](C)[NH3+])cc(Br)c1OCC[NH+](C)C ZINC000037724886 202032949 /nfs/dbraw/zinc/03/29/49/202032949.db2.gz JURKWOBUYMALTO-JTQLQIEISA-N 2 0 331.254 2.288 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416189543 239109467 /nfs/dbraw/zinc/10/94/67/239109467.db2.gz JSGHMVFRVOJASZ-BEFAXECRSA-N 2 0 327.472 2.034 10 0 EEAERP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091341556 203631789 /nfs/dbraw/zinc/63/17/89/203631789.db2.gz LPHHJMDWQDFRLX-XJKSGUPXSA-N 2 0 341.521 2.351 10 0 EEAERP CN(Cc1cccc(Br)c1)C1(C[NH3+])CC[NH+](C)CC1 ZINC000048891291 204357179 /nfs/dbraw/zinc/35/71/79/204357179.db2.gz GBESGOZAPBLHME-UHFFFAOYSA-N 2 0 326.282 2.304 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000177359695 207326167 /nfs/dbraw/zinc/32/61/67/207326167.db2.gz NSXXKDWWMLHNKN-GOSISDBHSA-N 2 0 332.492 2.374 10 0 EEAERP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000270593278 285212588 /nfs/dbraw/zinc/21/25/88/285212588.db2.gz YNHDVPCTHUAQIJ-QZTJIDSGSA-N 2 0 330.476 2.169 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(F)(F)F ZINC000457519412 285247816 /nfs/dbraw/zinc/24/78/16/285247816.db2.gz FCQPQGCZNSOIQA-ZIAGYGMSSA-N 2 0 337.430 2.449 10 0 EEAERP COCCN1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000273068111 256262458 /nfs/dbraw/zinc/26/24/58/256262458.db2.gz ITSIBHASXASBFA-KRWDZBQOSA-N 2 0 329.444 2.314 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000246827635 160296668 /nfs/dbraw/zinc/29/66/68/160296668.db2.gz DRMGXMGSMOSLCU-NVXWUHKLSA-N 2 0 333.476 2.086 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247185032 160313662 /nfs/dbraw/zinc/31/36/62/160313662.db2.gz LBMQUGGSHLVQQQ-BRWVUGGUSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248408007 160344870 /nfs/dbraw/zinc/34/48/70/160344870.db2.gz VBTFOCIWZRXQKL-BQFCYCMXSA-N 2 0 334.508 2.129 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccsc1C ZINC000345390271 161297672 /nfs/dbraw/zinc/29/76/72/161297672.db2.gz CCZHDEVIPSGJCL-KRWDZBQOSA-N 2 0 337.533 2.474 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)[C@H]2CCC[C@H]21 ZINC000375804251 167200346 /nfs/dbraw/zinc/20/03/46/167200346.db2.gz HKQRYSUTXRSTSX-UHOFOFEASA-N 2 0 337.414 2.157 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375852350 167212821 /nfs/dbraw/zinc/21/28/21/167212821.db2.gz NPLRZKDMLFUKAK-LJQANCHMSA-N 2 0 339.487 2.324 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000340181214 277166611 /nfs/dbraw/zinc/16/66/11/277166611.db2.gz GAPQSJGPURRHRM-ROUUACIJSA-N 2 0 330.476 2.217 10 0 EEAERP C[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253433523 277264454 /nfs/dbraw/zinc/26/44/54/277264454.db2.gz XWRRPGVFGLQTJO-BBRMVZONSA-N 2 0 343.393 2.424 10 0 EEAERP C[C@@H](CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000454840616 278274957 /nfs/dbraw/zinc/27/49/57/278274957.db2.gz RFEJOXHEVFRFKH-LPHOPBHVSA-N 2 0 332.492 2.290 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245538780 279091341 /nfs/dbraw/zinc/09/13/41/279091341.db2.gz HJVVAEUJAUAMOI-ICSRJNTNSA-N 2 0 345.487 2.431 10 0 EEAERP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000124027335 279451756 /nfs/dbraw/zinc/45/17/56/279451756.db2.gz FMRXRELTSMQIEA-LBPRGKRZSA-N 2 0 339.505 2.294 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000170863106 289312617 /nfs/dbraw/zinc/31/26/17/289312617.db2.gz WUXCPMNVXACLIK-HUUCEWRRSA-N 2 0 336.505 2.231 10 0 EEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297316134 294210368 /nfs/dbraw/zinc/21/03/68/294210368.db2.gz RDJYCALXSZPEDO-MRXNPFEDSA-N 2 0 329.448 2.398 10 0 EEAERP CO[C@H](Cc1ccccc1)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000297386501 294229836 /nfs/dbraw/zinc/22/98/36/294229836.db2.gz DUMIFMWDSCIDNC-NHCUHLMSSA-N 2 0 345.531 2.346 10 0 EEAERP C[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)[C@H]1[NH3+] ZINC000297451920 294248042 /nfs/dbraw/zinc/24/80/42/294248042.db2.gz WKQHDKZWLOONCJ-BXWFABGCSA-N 2 0 329.488 2.483 10 0 EEAERP C[C@@H](CCC(F)(F)F)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414181735 312978672 /nfs/dbraw/zinc/97/86/72/312978672.db2.gz CHZYYSZVBFBDCA-AWEZNQCLSA-N 2 0 337.430 2.104 10 0 EEAERP C[C@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)Cc1ccccc1 ZINC000414485913 313033625 /nfs/dbraw/zinc/03/36/25/313033625.db2.gz PXXAHSJQFFMHJZ-IBGZPJMESA-N 2 0 345.531 2.251 10 0 EEAERP [NH3+]CC[C@H](NC(=O)Nc1nc(CN2CCCCC2)cs1)C(F)F ZINC000414732147 313071849 /nfs/dbraw/zinc/07/18/49/313071849.db2.gz GDMBVNOCWHFWPZ-NSHDSACASA-N 2 0 347.435 2.233 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000414795122 313091481 /nfs/dbraw/zinc/09/14/81/313091481.db2.gz WMJWYPXNEWMSHP-XLIONFOSSA-N 2 0 328.504 2.012 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416794562 313318427 /nfs/dbraw/zinc/31/84/27/313318427.db2.gz PWYONNFZRLOJFH-PKOBYXMFSA-N 2 0 342.487 2.044 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000416838460 313330495 /nfs/dbraw/zinc/33/04/95/313330495.db2.gz JGJOYTWTOZARQU-CGTJXYLNSA-N 2 0 332.492 2.367 10 0 EEAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416890497 313350734 /nfs/dbraw/zinc/35/07/34/313350734.db2.gz IVXUAAVPQBEHNF-CRAIPNDOSA-N 2 0 330.476 2.161 10 0 EEAERP CC(C)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000417014119 313394361 /nfs/dbraw/zinc/39/43/61/313394361.db2.gz ZMPULUQVRDTDGU-QZTJIDSGSA-N 2 0 336.524 2.279 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)CC1 ZINC000417922073 313650448 /nfs/dbraw/zinc/65/04/48/313650448.db2.gz ILJWZYYAQGVCTG-MKCYZYCBSA-N 2 0 348.535 2.423 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433316169 314761438 /nfs/dbraw/zinc/76/14/38/314761438.db2.gz FALNSPJRWKGOOO-HNNXBMFYSA-N 2 0 331.464 2.033 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000437354084 315035651 /nfs/dbraw/zinc/03/56/51/315035651.db2.gz RJPRIRGLNHZSBU-ZBFHGGJFSA-N 2 0 328.416 2.397 10 0 EEAERP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000449228131 315436346 /nfs/dbraw/zinc/43/63/46/315436346.db2.gz XKRKYTXOBPILBO-OAHLLOKOSA-N 2 0 329.444 2.292 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCCO1 ZINC000527955555 317292075 /nfs/dbraw/zinc/29/20/75/317292075.db2.gz MNTNNFPYGAZWHE-FDKIHUSFSA-N 2 0 344.499 2.417 10 0 EEAERP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528291234 317354736 /nfs/dbraw/zinc/35/47/36/317354736.db2.gz CVDMOPWACLLYGN-ROUUACIJSA-N 2 0 334.508 2.319 10 0 EEAERP CO[C@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000528414082 317380294 /nfs/dbraw/zinc/38/02/94/317380294.db2.gz AJOJIWFPURRGDU-RTBURBONSA-N 2 0 335.467 2.225 10 0 EEAERP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCCC1 ZINC000529676266 317626840 /nfs/dbraw/zinc/62/68/40/317626840.db2.gz HPOYEVTVUSFVTG-UHFFFAOYSA-N 2 0 330.476 2.289 10 0 EEAERP CN(CCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000542785140 318139877 /nfs/dbraw/zinc/13/98/77/318139877.db2.gz WSPNIGKSFSOXAL-SFHVURJKSA-N 2 0 344.434 2.466 10 0 EEAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000560527890 318800730 /nfs/dbraw/zinc/80/07/30/318800730.db2.gz GIWLGXYMBVMGNI-ROUUACIJSA-N 2 0 331.508 2.403 10 0 EEAERP C[C@@]1(CNC(=O)NCC2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000564309561 319077292 /nfs/dbraw/zinc/07/72/92/319077292.db2.gz FKVGHFFCNWNPIQ-FQEVSTJZSA-N 2 0 344.503 2.340 10 0 EEAERP CC(C)[NH+](CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000565420755 319181322 /nfs/dbraw/zinc/18/13/22/319181322.db2.gz MEGLPIKVNBLSLU-TXPKVOOTSA-N 2 0 339.524 2.144 10 0 EEAERP CC(C)[NH+](CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000565420754 319181561 /nfs/dbraw/zinc/18/15/61/319181561.db2.gz MEGLPIKVNBLSLU-JTDSTZFVSA-N 2 0 339.524 2.144 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000565593048 319196370 /nfs/dbraw/zinc/19/63/70/319196370.db2.gz CRXLTSMVHGTCNH-IBGZPJMESA-N 2 0 346.446 2.459 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)Cc1ccccc1 ZINC000570233758 319647838 /nfs/dbraw/zinc/64/78/38/319647838.db2.gz MKNQPFNQOREEHA-XWSJACJDSA-N 2 0 329.488 2.196 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000576519071 320179098 /nfs/dbraw/zinc/17/90/98/320179098.db2.gz ARWARBSHBVBKGA-UHFFFAOYSA-N 2 0 327.428 2.016 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000576813318 320205787 /nfs/dbraw/zinc/20/57/87/320205787.db2.gz SIKMHCGNNRAIRE-QUCCMNQESA-N 2 0 345.531 2.288 10 0 EEAERP CCn1c2ccc(F)cc2nc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000581492003 324265008 /nfs/dbraw/zinc/26/50/08/324265008.db2.gz QBXULCZYTFVLFP-CQSZACIVSA-N 2 0 346.450 2.383 10 0 EEAERP O[C@@H](COc1ccccc1F)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080630 465025898 /nfs/dbraw/zinc/02/58/98/465025898.db2.gz GYZCICDCSIECJC-QGZVFWFLSA-N 2 0 336.451 2.373 10 0 EEAERP C[NH+](C)C[C@H]1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000113512037 462598911 /nfs/dbraw/zinc/59/89/11/462598911.db2.gz BVISIISKOSZGIL-HIFRSBDPSA-N 2 0 346.393 2.329 10 0 EEAERP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000065475380 462777665 /nfs/dbraw/zinc/77/76/65/462777665.db2.gz FQVIBAHSSWYJHC-UHFFFAOYSA-N 2 0 345.491 2.025 10 0 EEAERP O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(OC(F)F)cc1 ZINC000521876168 468337725 /nfs/dbraw/zinc/33/77/25/468337725.db2.gz OACCLQQHCMUBJH-KRWDZBQOSA-N 2 0 339.386 2.302 10 0 EEAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000057847410 463523725 /nfs/dbraw/zinc/52/37/25/463523725.db2.gz PAGDZZXSKPGBDO-AWEZNQCLSA-N 2 0 340.512 2.053 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163274949 463576919 /nfs/dbraw/zinc/57/69/19/463576919.db2.gz BYCHNVBTHPUJAX-LSDHHAIUSA-N 2 0 339.505 2.441 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000268426247 463738914 /nfs/dbraw/zinc/73/89/14/463738914.db2.gz NMGUTLVBXKHTJN-UHFFFAOYSA-N 2 0 328.460 2.402 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000185162883 463765850 /nfs/dbraw/zinc/76/58/50/463765850.db2.gz WLEVHUXPAFCNTE-SFHVURJKSA-N 2 0 332.492 2.417 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000185224548 463780641 /nfs/dbraw/zinc/78/06/41/463780641.db2.gz YZMVWELZRBKPAQ-INIZCTEOSA-N 2 0 336.480 2.400 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185400191 463816508 /nfs/dbraw/zinc/81/65/08/463816508.db2.gz BDXNLMFUTIBZTD-IRXDYDNUSA-N 2 0 326.529 2.338 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000185607299 463850307 /nfs/dbraw/zinc/85/03/07/463850307.db2.gz BKCSQNCXBFLQDF-MSOLQXFVSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N(C)Cc1ccccc1 ZINC000261913231 463897617 /nfs/dbraw/zinc/89/76/17/463897617.db2.gz JFYKQSBHMGBFEZ-GSEOLPGOSA-N 2 0 331.504 2.254 10 0 EEAERP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccc1OC ZINC000261917188 463899249 /nfs/dbraw/zinc/89/92/49/463899249.db2.gz JUIMORAFUKLROF-ZACQAIPSSA-N 2 0 334.460 2.341 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000261974316 463914630 /nfs/dbraw/zinc/91/46/30/463914630.db2.gz LSRXBJNQEGSATI-ZWKOTPCHSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261990230 463918986 /nfs/dbraw/zinc/91/89/86/463918986.db2.gz SPWULUCEEPXQJJ-APAFKAMOSA-N 2 0 337.552 2.490 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900964 463945692 /nfs/dbraw/zinc/94/56/92/463945692.db2.gz SEGHOYQZRVRGJC-RTBURBONSA-N 2 0 342.487 2.313 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000262152486 463958650 /nfs/dbraw/zinc/95/86/50/463958650.db2.gz XLUVAIXHIXBQKE-DLBZAZTESA-N 2 0 333.451 2.376 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000172226416 464021983 /nfs/dbraw/zinc/02/19/83/464021983.db2.gz REZDMLHIMNNZOO-OALUTQOASA-N 2 0 344.503 2.435 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)N3CCc4sccc4C3)C2)C1 ZINC000292259098 464177216 /nfs/dbraw/zinc/17/72/16/464177216.db2.gz YLGHBWNFDRTCKO-SFHVURJKSA-N 2 0 333.501 2.051 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000237479422 464326157 /nfs/dbraw/zinc/32/61/57/464326157.db2.gz XCUFWMCBTRYXKO-AEFFLSMTSA-N 2 0 329.488 2.249 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000245615065 464498528 /nfs/dbraw/zinc/49/85/28/464498528.db2.gz CTKQBRVUXNQROU-TWKWOARYSA-N 2 0 342.487 2.356 10 0 EEAERP C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1CC(C)(C)O ZINC000189884293 464559277 /nfs/dbraw/zinc/55/92/77/464559277.db2.gz MBUJIJGMCCFZSR-MRXNPFEDSA-N 2 0 337.483 2.035 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000247527912 464690617 /nfs/dbraw/zinc/69/06/17/464690617.db2.gz XGXAHGRVFDQHBH-YJBOKZPZSA-N 2 0 330.476 2.126 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393934 464746625 /nfs/dbraw/zinc/74/66/25/464746625.db2.gz XLKNAFNTNFPRSW-HUUCEWRRSA-N 2 0 347.459 2.122 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249742979 464911904 /nfs/dbraw/zinc/91/19/04/464911904.db2.gz KRWBVTWZINJVHG-FUHWJXTLSA-N 2 0 332.492 2.320 10 0 EEAERP C[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253433524 465015046 /nfs/dbraw/zinc/01/50/46/465015046.db2.gz XWRRPGVFGLQTJO-CJNGLKHVSA-N 2 0 343.393 2.424 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000337668066 465506698 /nfs/dbraw/zinc/50/66/98/465506698.db2.gz UMPVHIGTHMPAEZ-QZTJIDSGSA-N 2 0 334.508 2.131 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339910929 465598143 /nfs/dbraw/zinc/59/81/43/465598143.db2.gz CDJQZPQFXZHSRP-IBGZPJMESA-N 2 0 346.519 2.143 10 0 EEAERP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)C2)ncn1 ZINC000353425550 465872146 /nfs/dbraw/zinc/87/21/46/465872146.db2.gz YKAWVIXDXDASNW-INDMIFKZSA-N 2 0 343.519 2.470 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340231348 465903701 /nfs/dbraw/zinc/90/37/01/465903701.db2.gz NHSPKHGXEDXTLR-UHFFFAOYSA-N 2 0 330.538 2.301 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)(N2CCCCC2)CC1 ZINC000353523841 465951777 /nfs/dbraw/zinc/95/17/77/465951777.db2.gz CENISTFGDAOKMO-XUVXKRRUSA-N 2 0 348.579 2.399 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000361518237 466065271 /nfs/dbraw/zinc/06/52/71/466065271.db2.gz ILLYGQDGKGGOND-SFHVURJKSA-N 2 0 341.455 2.206 10 0 EEAERP C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000358158419 466502005 /nfs/dbraw/zinc/50/20/05/466502005.db2.gz NRKIMKMTSZJOLM-UQPPLGOBSA-N 2 0 333.476 2.322 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccc(F)cc2)CC1 ZINC000358228243 466556487 /nfs/dbraw/zinc/55/64/87/466556487.db2.gz VPFJMSPGUUCFNB-UHFFFAOYSA-N 2 0 335.467 2.289 10 0 EEAERP C[NH+](C)C1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000372974249 466650238 /nfs/dbraw/zinc/65/02/38/466650238.db2.gz DMIDLWGVTTZIAL-FQEVSTJZSA-N 2 0 331.504 2.304 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957962 466688094 /nfs/dbraw/zinc/68/80/94/466688094.db2.gz WIAODMXUWVUQNY-DOTOQJQBSA-N 2 0 334.460 2.285 10 0 EEAERP COc1ccc(OC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662251307 472042477 /nfs/dbraw/zinc/04/24/77/472042477.db2.gz CNEGVGBRWVWXTF-SFHVURJKSA-N 2 0 332.444 2.059 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417217506 466804983 /nfs/dbraw/zinc/80/49/83/466804983.db2.gz DJGZZJAYENXMCJ-YSHGAJCASA-N 2 0 342.487 2.358 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417812139 466942515 /nfs/dbraw/zinc/94/25/15/466942515.db2.gz PFAZCMQGMOJSIM-CRAIPNDOSA-N 2 0 334.508 2.177 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417997300 467016805 /nfs/dbraw/zinc/01/68/05/467016805.db2.gz UDCQVFDPNXKHOH-FSPWUOQZSA-N 2 0 346.475 2.010 10 0 EEAERP CCC[N@H+](C)[C@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418186014 467069325 /nfs/dbraw/zinc/06/93/25/467069325.db2.gz RIOVUVDONNIERQ-OAHLLOKOSA-N 2 0 326.872 2.371 10 0 EEAERP C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000418228011 467080021 /nfs/dbraw/zinc/08/00/21/467080021.db2.gz APUYLQCBZPRFTB-LZLYRXPVSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418466358 467114615 /nfs/dbraw/zinc/11/46/15/467114615.db2.gz RECABNWVHYEYJM-HNAYVOBHSA-N 2 0 330.476 2.334 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418557457 467128507 /nfs/dbraw/zinc/12/85/07/467128507.db2.gz BAKITCCGXOTFSY-RCCFBDPRSA-N 2 0 330.476 2.172 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000418587320 467132584 /nfs/dbraw/zinc/13/25/84/467132584.db2.gz GMWVIGLBLJGTEP-DOTOQJQBSA-N 2 0 332.492 2.194 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000428382759 467227359 /nfs/dbraw/zinc/22/73/59/467227359.db2.gz KEQCACSDAWLKPR-LJQANCHMSA-N 2 0 329.488 2.175 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000413962884 467351148 /nfs/dbraw/zinc/35/11/48/467351148.db2.gz TYONGYLVNMXDJV-KRWDZBQOSA-N 2 0 349.475 2.449 10 0 EEAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000386250680 467389220 /nfs/dbraw/zinc/38/92/20/467389220.db2.gz DAJOJYQKRRXADV-GHRYLNIYSA-N 2 0 343.515 2.254 10 0 EEAERP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388520630 467396980 /nfs/dbraw/zinc/39/69/80/467396980.db2.gz QILXAZJEXKQFIW-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000404427886 467474432 /nfs/dbraw/zinc/47/44/32/467474432.db2.gz MWDDNBOPBQCAMV-MIALQEHNSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[C@H](C)[N@H+]1C ZINC000454715176 467611355 /nfs/dbraw/zinc/61/13/55/467611355.db2.gz DFEZJGTVFPXQLX-CIRFHOKZSA-N 2 0 330.476 2.166 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])nc2)CC1 ZINC000514670261 467947688 /nfs/dbraw/zinc/94/76/88/467947688.db2.gz PNQRHSINYMQLSA-DLBZAZTESA-N 2 0 345.491 2.070 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000461792054 467970048 /nfs/dbraw/zinc/97/00/48/467970048.db2.gz XZYQHUNLJBIJCR-IKGGRYGDSA-N 2 0 326.529 2.479 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000530321066 467975650 /nfs/dbraw/zinc/97/56/50/467975650.db2.gz ZXZHLHMHLZBTGC-GOSISDBHSA-N 2 0 340.471 2.296 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000517238104 468078013 /nfs/dbraw/zinc/07/80/13/468078013.db2.gz ZPOGUCASKAVQKG-UJCHZGTJSA-N 2 0 345.462 2.390 10 0 EEAERP C[C@@]1(CNC(=O)N2CCC(C[NH3+])CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000578489670 468204900 /nfs/dbraw/zinc/20/49/00/468204900.db2.gz LQKZFKBZWGSLBY-FQEVSTJZSA-N 2 0 344.503 2.421 10 0 EEAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889844 468231803 /nfs/dbraw/zinc/23/18/03/468231803.db2.gz ZXCCHVMZRMRSCI-LJQANCHMSA-N 2 0 331.460 2.489 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000572346936 468919419 /nfs/dbraw/zinc/91/94/19/468919419.db2.gz GNDOMZRPCIMAJZ-RZLSGREXSA-N 2 0 336.505 2.262 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572368163 468924062 /nfs/dbraw/zinc/92/40/62/468924062.db2.gz VVTDXLANXAAKRY-IAGOWNOFSA-N 2 0 345.487 2.089 10 0 EEAERP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000593324234 468939633 /nfs/dbraw/zinc/93/96/33/468939633.db2.gz ZGEOMHROEDQCKW-YSVLISHTSA-N 2 0 336.432 2.317 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)o1 ZINC000586934087 469083269 /nfs/dbraw/zinc/08/32/69/469083269.db2.gz GXRBFKWVUAITLR-HOTGVXAUSA-N 2 0 334.464 2.118 10 0 EEAERP CCn1c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)nc2ccccc21 ZINC000573576735 469165919 /nfs/dbraw/zinc/16/59/19/469165919.db2.gz WFFYZSYARLVMAN-UHFFFAOYSA-N 2 0 341.503 2.362 10 0 EEAERP CC[N@H+](C)C[C@H](O)CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982474 469457500 /nfs/dbraw/zinc/45/75/00/469457500.db2.gz ARTMKTAPJORYLU-CJNGLKHVSA-N 2 0 348.318 2.498 10 0 EEAERP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985894 469458421 /nfs/dbraw/zinc/45/84/21/469458421.db2.gz LZPGVHSKTMBMGD-QZTJIDSGSA-N 2 0 338.467 2.333 10 0 EEAERP CN(CCC[NH2+]Cc1cnc(-c2ccccn2)s1)CC[NH+](C)C ZINC000623087980 469545977 /nfs/dbraw/zinc/54/59/77/469545977.db2.gz RILBUDCIVQFIRL-UHFFFAOYSA-N 2 0 333.505 2.178 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000629530477 469572451 /nfs/dbraw/zinc/57/24/51/469572451.db2.gz HULUZIBIMVDYOB-CYBMUJFWSA-N 2 0 331.229 2.401 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629538090 469574499 /nfs/dbraw/zinc/57/44/99/469574499.db2.gz MBNUVRWSLWDRDO-VAMGGRTRSA-N 3 0 331.504 2.242 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428772 469654218 /nfs/dbraw/zinc/65/42/18/469654218.db2.gz ZZPUJIWTHHPKKV-AABGKKOBSA-N 2 0 345.531 2.332 10 0 EEAERP C[N@H+](CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626925314 469756542 /nfs/dbraw/zinc/75/65/42/469756542.db2.gz KGJJYIKVBGWYDE-KRWDZBQOSA-N 2 0 330.476 2.092 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000627203422 469843758 /nfs/dbraw/zinc/84/37/58/469843758.db2.gz WMJADJJPTNHUSV-NVXWUHKLSA-N 2 0 332.492 2.337 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624132613 469850529 /nfs/dbraw/zinc/85/05/29/469850529.db2.gz UPZHUAOAROKKPX-FVVUREQNSA-N 2 0 327.472 2.141 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627241050 469854683 /nfs/dbraw/zinc/85/46/83/469854683.db2.gz AFKADLSZDATBHT-UIBIWLFHSA-N 2 0 330.476 2.041 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)NCCN2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656996 469855168 /nfs/dbraw/zinc/85/51/68/469855168.db2.gz SCFNYZOQFAAKKL-YJBOKZPZSA-N 2 0 330.476 2.126 10 0 EEAERP C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000625198221 470093625 /nfs/dbraw/zinc/09/36/25/470093625.db2.gz RZECXMXKEHFBNM-OALUTQOASA-N 2 0 332.488 2.106 10 0 EEAERP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841450 470186705 /nfs/dbraw/zinc/18/67/05/470186705.db2.gz KRUMWGKUJYPZJB-VXGBXAGGSA-N 2 0 325.840 2.204 10 0 EEAERP CN(CCC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1cc[nH+]cc1 ZINC000634093516 470219850 /nfs/dbraw/zinc/21/98/50/470219850.db2.gz NUSNCCLWHDYKFW-UHFFFAOYSA-N 2 0 342.447 2.010 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000634735906 470287791 /nfs/dbraw/zinc/28/77/91/470287791.db2.gz UVSZIBJBSOAFMM-INIZCTEOSA-N 2 0 328.403 2.483 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639980685 470743998 /nfs/dbraw/zinc/74/39/98/470743998.db2.gz AFLMENDXVKSCSZ-FQEVSTJZSA-N 2 0 345.531 2.430 10 0 EEAERP O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899377 471010409 /nfs/dbraw/zinc/01/04/09/471010409.db2.gz IWTSZVAAWCHLOW-WBVHZDCISA-N 2 0 335.879 2.420 10 0 EEAERP C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899296 471010598 /nfs/dbraw/zinc/01/05/98/471010598.db2.gz FYGGPFROYPQZPG-NZSAHSFTSA-N 2 0 329.488 2.498 10 0 EEAERP CC[C@H]1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657307045 471093004 /nfs/dbraw/zinc/09/30/04/471093004.db2.gz HPJIAVLBDPHUMY-PMACEKPBSA-N 2 0 331.504 2.351 10 0 EEAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657367666 471114764 /nfs/dbraw/zinc/11/47/64/471114764.db2.gz RJBJTEZFMVUNCI-CALCHBBNSA-N 3 0 343.475 2.246 10 0 EEAERP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CO1 ZINC000657363691 471115309 /nfs/dbraw/zinc/11/53/09/471115309.db2.gz AVFNCJHRONDNFK-OALUTQOASA-N 2 0 345.487 2.169 10 0 EEAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104528 471138584 /nfs/dbraw/zinc/13/85/84/471138584.db2.gz OBLNKJYHXJDULV-FHLIZLRMSA-N 2 0 340.471 2.028 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C1 ZINC000657594702 471178583 /nfs/dbraw/zinc/17/85/83/471178583.db2.gz KLWNRQCVLNGIQY-SFHVURJKSA-N 2 0 336.439 2.419 10 0 EEAERP c1cc(N2CCN(CCC[NH2+][C@@H]3CCCSCC3)CC2)cc[nH+]1 ZINC000657863590 471242431 /nfs/dbraw/zinc/24/24/31/471242431.db2.gz LCMMCQFTWBMBJO-QGZVFWFLSA-N 2 0 334.533 2.469 10 0 EEAERP Cc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)[NH+]2CCCC2)o1 ZINC000652144785 471244325 /nfs/dbraw/zinc/24/43/25/471244325.db2.gz SSFZHXMUBXWRBU-HNNXBMFYSA-N 2 0 334.464 2.153 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652225471 471259271 /nfs/dbraw/zinc/25/92/71/471259271.db2.gz ZXOVPHZYKGHNBA-ZWKOTPCHSA-N 2 0 338.540 2.386 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652238923 471260830 /nfs/dbraw/zinc/26/08/30/471260830.db2.gz UXUHEWIEVZRLCN-IAGOWNOFSA-N 2 0 344.503 2.420 10 0 EEAERP c1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000663343759 471333744 /nfs/dbraw/zinc/33/37/44/471333744.db2.gz DSDOIBMPPPLNNV-QGZVFWFLSA-N 2 0 325.460 2.479 10 0 EEAERP CCOC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369078 471343349 /nfs/dbraw/zinc/34/33/49/471343349.db2.gz WNUIYKQTRWUOPL-OALUTQOASA-N 2 0 332.488 2.276 10 0 EEAERP COC[C@@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000660497175 471367217 /nfs/dbraw/zinc/36/72/17/471367217.db2.gz MHBBXDLJDRHBCR-HZPDHXFCSA-N 2 0 326.506 2.472 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000663506470 471403708 /nfs/dbraw/zinc/40/37/08/471403708.db2.gz RPNOOHBOPGZAJY-HKUYNNGSSA-N 2 0 329.488 2.370 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000669310752 471451420 /nfs/dbraw/zinc/45/14/20/471451420.db2.gz IQUCRDRJZMFDGV-ZHALLVOQSA-N 2 0 336.524 2.140 10 0 EEAERP CCN(C(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000663636716 471457337 /nfs/dbraw/zinc/45/73/37/471457337.db2.gz ZTFGVEBEYVEILN-LJQANCHMSA-N 2 0 344.503 2.170 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413893 471484795 /nfs/dbraw/zinc/48/47/95/471484795.db2.gz LJANSHUNSCQYIW-VQIMIIECSA-N 2 0 344.503 2.196 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420752 471491502 /nfs/dbraw/zinc/49/15/02/471491502.db2.gz VYEOIFZVFASTGZ-JQHSSLGASA-N 2 0 330.476 2.030 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653124418 471499715 /nfs/dbraw/zinc/49/97/15/471499715.db2.gz YIXOXRKGJILCNA-INIZCTEOSA-N 2 0 330.476 2.157 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556801 471552453 /nfs/dbraw/zinc/55/24/53/471552453.db2.gz GIKIJYGWDZYEQF-NRWWLLTHSA-N 2 0 342.487 2.101 10 0 EEAERP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000666927101 471591828 /nfs/dbraw/zinc/59/18/28/471591828.db2.gz GBNKPOBCIZJTGZ-MRXNPFEDSA-N 2 0 348.495 2.098 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CC[NH2+]C1 ZINC000659381333 471598688 /nfs/dbraw/zinc/59/86/88/471598688.db2.gz JXWLLYPTFYCCRQ-ZWKOTPCHSA-N 2 0 327.472 2.014 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000659425346 471620713 /nfs/dbraw/zinc/62/07/13/471620713.db2.gz KFNREUXRHLAGJO-HZPDHXFCSA-N 2 0 336.480 2.479 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC[C@H]1F ZINC000659456320 471636199 /nfs/dbraw/zinc/63/61/99/471636199.db2.gz KOMLAXLJOXBOJC-KURKYZTESA-N 2 0 348.466 2.294 10 0 EEAERP C[NH2+]CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659504614 471660541 /nfs/dbraw/zinc/66/05/41/471660541.db2.gz GXTYTCDURSOXMU-GOSISDBHSA-N 2 0 344.503 2.197 10 0 EEAERP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659525406 471666757 /nfs/dbraw/zinc/66/67/57/471666757.db2.gz FXPQOXRQXISLMF-FUHWJXTLSA-N 2 0 344.503 2.183 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659603284 471696553 /nfs/dbraw/zinc/69/65/53/471696553.db2.gz ZDFWNDXHJDTNOD-BBWFWOEESA-N 2 0 334.508 2.034 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000661403521 471744524 /nfs/dbraw/zinc/74/45/24/471744524.db2.gz LTQBWQLOQUMJRO-GOSISDBHSA-N 2 0 346.519 2.463 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CCN(CCOCc2ccccc2)CC1 ZINC000659911565 471790408 /nfs/dbraw/zinc/79/04/08/471790408.db2.gz ZCRGWHMBKCJXRD-FQEVSTJZSA-N 2 0 331.504 2.305 10 0 EEAERP C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835857 471875552 /nfs/dbraw/zinc/87/55/52/471875552.db2.gz MDWKPEOPHJVPQB-QAPCUYQASA-N 2 0 329.488 2.483 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667789602 471905719 /nfs/dbraw/zinc/90/57/19/471905719.db2.gz SWTJWYIXSRGWFM-RTWAWAEBSA-N 2 0 343.515 2.481 10 0 EEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000665281144 471987742 /nfs/dbraw/zinc/98/77/42/471987742.db2.gz WBDPZVNLSNYSDD-WMLDXEAASA-N 2 0 339.505 2.251 10 0 EEAERP C[N@H+](CCc1ccc(Br)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257410 472045627 /nfs/dbraw/zinc/04/56/27/472045627.db2.gz NYWGSURDVPNDRA-OAHLLOKOSA-N 2 0 339.277 2.444 10 0 EEAERP COc1ccccc1COC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279523 472055287 /nfs/dbraw/zinc/05/52/87/472055287.db2.gz KWLALNOWJQYIFI-SFHVURJKSA-N 2 0 346.471 2.197 10 0 EEAERP C[NH+](C)CCCOC1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662490901 472126567 /nfs/dbraw/zinc/12/65/67/472126567.db2.gz MTDVCPYBPHQKJH-IBGZPJMESA-N 2 0 345.487 2.180 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000662660492 472192871 /nfs/dbraw/zinc/19/28/71/472192871.db2.gz FKGZNIRQSQHJSW-AABGKKOBSA-N 2 0 341.499 2.292 10 0 EEAERP O[C@H]1CC[N@@H+](C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C1 ZINC000668738206 472245840 /nfs/dbraw/zinc/24/58/40/472245840.db2.gz CINPVVJNOPIUOG-IBGZPJMESA-N 2 0 330.472 2.085 10 0 EEAERP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000662918319 472298561 /nfs/dbraw/zinc/29/85/61/472298561.db2.gz CEOHERZPAVULHT-KURKYZTESA-N 2 0 327.472 2.142 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)C1 ZINC000658142066 485571697 /nfs/dbraw/zinc/57/16/97/485571697.db2.gz YLPPFVBMOGXHSH-ZWKOTPCHSA-N 2 0 326.444 2.074 10 0 EEAERP C[NH+](C)CCn1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000673962967 485596099 /nfs/dbraw/zinc/59/60/99/485596099.db2.gz XGQZCZQKYYAJHG-HNNXBMFYSA-N 2 0 333.480 2.038 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000678278022 486608994 /nfs/dbraw/zinc/60/89/94/486608994.db2.gz SFLQCTWQAMGQKD-PBHICJAKSA-N 2 0 339.505 2.220 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000764464560 577736721 /nfs/dbraw/zinc/73/67/21/577736721.db2.gz DKMDFIPAYKJULK-HLAWJBBLSA-N 2 0 345.531 2.295 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000914329128 683500287 /nfs/dbraw/zinc/50/02/87/683500287.db2.gz MNLGKRKKPYTCMK-JOCBIADPSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1c1cc[nH+]cc1 ZINC000915252933 684066808 /nfs/dbraw/zinc/06/68/08/684066808.db2.gz TUPVYSJZWLWEQH-INIZCTEOSA-N 2 0 330.476 2.383 10 0 EEAERP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1F ZINC000895749940 684710481 /nfs/dbraw/zinc/71/04/81/684710481.db2.gz WBFUYJBXJOWVLB-SFHVURJKSA-N 2 0 329.419 2.383 10 0 EEAERP CC(C)OC(=O)C1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000895828012 684733420 /nfs/dbraw/zinc/73/34/20/684733420.db2.gz RJTNGSFKXDCJEC-UHFFFAOYSA-N 2 0 328.416 2.431 10 0 EEAERP CS[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@@H]1[NH+](C)C ZINC000897237044 686303030 /nfs/dbraw/zinc/30/30/30/686303030.db2.gz BTDUXLOMANUVBT-VSZNYVQBSA-N 2 0 347.528 2.183 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCN2CCC([NH+](C)C)CC2)n(C)n1 ZINC000925217071 687582822 /nfs/dbraw/zinc/58/28/22/687582822.db2.gz WLDYPCYMCKTLIK-XLIONFOSSA-N 2 0 347.551 2.055 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC[N@@H+]1C ZINC000925326257 692474047 /nfs/dbraw/zinc/47/40/47/692474047.db2.gz PZABIVKAFCLYSV-IEBWSBKVSA-N 2 0 346.519 2.285 10 0 EEAERP COCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC001485570790 1191840255 /nfs/dbraw/zinc/84/02/55/1191840255.db2.gz XDXWEPYVNMULQB-KRWDZBQOSA-N 2 0 344.459 2.119 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001485601202 1191856672 /nfs/dbraw/zinc/85/66/72/1191856672.db2.gz JVKHFTPONVVWAM-HEQXZFFOSA-N 2 0 333.520 2.367 10 0 EEAERP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]3C2)no1 ZINC001485655028 1191873830 /nfs/dbraw/zinc/87/38/30/1191873830.db2.gz DYCVTFFORCKEBE-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CC=C(Cl)Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001485684715 1191896902 /nfs/dbraw/zinc/89/69/02/1191896902.db2.gz MCOJPYGRWHHPJE-UBHSHLNASA-N 2 0 346.302 2.132 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001485743084 1191918741 /nfs/dbraw/zinc/91/87/41/1191918741.db2.gz BXSKESUFMJKMLL-INIZCTEOSA-N 2 0 345.487 2.166 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485814164 1191978234 /nfs/dbraw/zinc/97/82/34/1191978234.db2.gz RLWSFBUKWFLPIQ-ROUUACIJSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001485814198 1191978266 /nfs/dbraw/zinc/97/82/66/1191978266.db2.gz RPOYOKMYIJBTMY-SJLPKXTDSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1cccc(C)c1OCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266358308 1176394378 /nfs/dbraw/zinc/39/43/78/1176394378.db2.gz PCPJIRNMAGJHON-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266750223 1177348182 /nfs/dbraw/zinc/34/81/82/1177348182.db2.gz SCWQPGBNCKVEPI-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001266825929 1177498419 /nfs/dbraw/zinc/49/84/19/1177498419.db2.gz LSGASGLSBHEKIK-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC001266855854 1177582994 /nfs/dbraw/zinc/58/29/94/1177582994.db2.gz GRPVFVHWTGBTKK-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001691173986 1177674086 /nfs/dbraw/zinc/67/40/86/1177674086.db2.gz NXVBVWUYCLCYFQ-CDVVCGDMSA-N 2 0 327.900 2.443 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1nsc2ccccc12)[NH+](C)C ZINC001267004564 1178066833 /nfs/dbraw/zinc/06/68/33/1178066833.db2.gz FDXBWIAMYZPDQR-QGZVFWFLSA-N 2 0 348.516 2.431 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267020686 1178103978 /nfs/dbraw/zinc/10/39/78/1178103978.db2.gz JZQJUOLXQSRVOO-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)s1 ZINC001267066725 1178180422 /nfs/dbraw/zinc/18/04/22/1178180422.db2.gz JLJLTMUWLXNHOR-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267113674 1178273156 /nfs/dbraw/zinc/27/31/56/1178273156.db2.gz PYPPBAITHNGIOG-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC001480920741 1178356238 /nfs/dbraw/zinc/35/62/38/1178356238.db2.gz APFJFOZSJSHWFZ-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001691935901 1178723553 /nfs/dbraw/zinc/72/35/53/1178723553.db2.gz LPBRAEAQODQWEL-ZFWWWQNUSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001691465303 1178893086 /nfs/dbraw/zinc/89/30/86/1178893086.db2.gz PJVACZSDPXBQKA-GOSISDBHSA-N 2 0 334.508 2.339 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)C[NH+]1CCCC1 ZINC001267469562 1179094234 /nfs/dbraw/zinc/09/42/34/1179094234.db2.gz MESRVYLZTCLBFN-UHFFFAOYSA-N 2 0 327.831 2.123 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001267474284 1179108120 /nfs/dbraw/zinc/10/81/20/1179108120.db2.gz OSFSUNCDGKYOCR-UHFFFAOYSA-N 2 0 341.883 2.237 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481126641 1179836165 /nfs/dbraw/zinc/83/61/65/1179836165.db2.gz TYCUQOQRQSGQHL-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001267900898 1180725118 /nfs/dbraw/zinc/72/51/18/1180725118.db2.gz PVUBHTKTLGUZEF-QGZVFWFLSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267933390 1180785246 /nfs/dbraw/zinc/78/52/46/1180785246.db2.gz HRAOVHCRUPKRQW-BRWVUGGUSA-N 2 0 327.513 2.015 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001481281643 1180805009 /nfs/dbraw/zinc/80/50/09/1180805009.db2.gz VWPDCXOHGFYTLG-MGPQQGTHSA-N 2 0 340.418 2.007 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F ZINC001267994298 1180936418 /nfs/dbraw/zinc/93/64/18/1180936418.db2.gz QBZKLSUJBGVSJZ-ZIAGYGMSSA-N 2 0 337.430 2.401 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1 ZINC001481317424 1181017375 /nfs/dbraw/zinc/01/73/75/1181017375.db2.gz DZALDNWSMQHUIP-ZIAGYGMSSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)OCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001481365168 1181131497 /nfs/dbraw/zinc/13/14/97/1181131497.db2.gz JZRWXAMQKAYEBF-OALUTQOASA-N 2 0 347.503 2.343 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC001481373686 1181152499 /nfs/dbraw/zinc/15/24/99/1181152499.db2.gz BIHORBGJPFDGLR-OALUTQOASA-N 2 0 347.503 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001481463353 1181468835 /nfs/dbraw/zinc/46/88/35/1181468835.db2.gz DZAYFUGXJAYGLU-UXHICEINSA-N 2 0 343.515 2.399 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481499144 1181571172 /nfs/dbraw/zinc/57/11/72/1181571172.db2.gz UWHHJNXCVRNNEU-HOTGVXAUSA-N 2 0 329.504 2.493 10 0 EEAERP CN(C/C(Cl)=C\Cl)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481502831 1181581258 /nfs/dbraw/zinc/58/12/58/1181581258.db2.gz DFLJUODMDFZSCO-IJEKBPOVSA-N 2 0 348.318 2.428 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001268055337 1181612194 /nfs/dbraw/zinc/61/21/94/1181612194.db2.gz OPUPGRCRFPHFTK-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481535715 1181669912 /nfs/dbraw/zinc/66/99/12/1181669912.db2.gz OOMOIHRZZNLQEL-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268094665 1181733738 /nfs/dbraw/zinc/73/37/38/1181733738.db2.gz POSBEMKFOWFZGJ-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP O=C(N1CCC[C@H]1C[NH2+]CCOCC1CCC1)C12CCC[NH+]1CCC2 ZINC001671317804 1181795955 /nfs/dbraw/zinc/79/59/55/1181795955.db2.gz DKHOXCVBCPNTNZ-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001268159490 1181870257 /nfs/dbraw/zinc/87/02/57/1181870257.db2.gz NCFUWWWPIQUVGV-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP C[NH+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001481642178 1182017714 /nfs/dbraw/zinc/01/77/14/1182017714.db2.gz CSGDKTVBXLVDNT-GOSISDBHSA-N 2 0 333.451 2.203 10 0 EEAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001268236848 1182056416 /nfs/dbraw/zinc/05/64/16/1182056416.db2.gz HRIXMFJLVPYEQS-KRWDZBQOSA-N 2 0 333.480 2.146 10 0 EEAERP Cc1nccn1CC(=O)NCC1CN(Cc2ccc(C)cc2Cl)C1 ZINC001481658901 1182155558 /nfs/dbraw/zinc/15/55/58/1182155558.db2.gz TXVJUGYUOOEUSF-UHFFFAOYSA-N 2 0 346.862 2.402 10 0 EEAERP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481750738 1182537515 /nfs/dbraw/zinc/53/75/15/1182537515.db2.gz BSAIOQCURHGLEL-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1OC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268438201 1182612141 /nfs/dbraw/zinc/61/21/41/1182612141.db2.gz FNTXTZONCVBLSK-SFHVURJKSA-N 2 0 345.487 2.260 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cccc2nsnc21 ZINC001481825167 1182753883 /nfs/dbraw/zinc/75/38/83/1182753883.db2.gz INFIZIDJLXNQDV-UKRRQHHQSA-N 2 0 349.504 2.016 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001481860769 1182825598 /nfs/dbraw/zinc/82/55/98/1182825598.db2.gz DXGBHUFZHVSUJW-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001481976135 1183072466 /nfs/dbraw/zinc/07/24/66/1183072466.db2.gz FGVRIVZBMLVGQE-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001482002937 1183119549 /nfs/dbraw/zinc/11/95/49/1183119549.db2.gz WTEMRJVKWIWZRW-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CCc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001482101655 1183335030 /nfs/dbraw/zinc/33/50/30/1183335030.db2.gz ONOWWZGFRFZFOF-OXJNMPFZSA-N 2 0 343.515 2.433 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001268588533 1183389519 /nfs/dbraw/zinc/38/95/19/1183389519.db2.gz SCZJODQZKNJWLE-QGZUEGPWSA-N 2 0 337.414 2.166 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(F)c1 ZINC001482138368 1183452183 /nfs/dbraw/zinc/45/21/83/1183452183.db2.gz ZKLOQIUEXMWADX-VYDXJSESSA-N 2 0 335.467 2.398 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001268651744 1183581116 /nfs/dbraw/zinc/58/11/16/1183581116.db2.gz XDZRKCPRVGZJAZ-VQIMIIECSA-N 2 0 347.503 2.206 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268797020 1183715338 /nfs/dbraw/zinc/71/53/38/1183715338.db2.gz BDKAOTHHURRHHI-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCc1ccccc1 ZINC001268965071 1183855278 /nfs/dbraw/zinc/85/52/78/1183855278.db2.gz IPDWOILSIGALMF-OALUTQOASA-N 2 0 329.488 2.246 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269071819 1183939316 /nfs/dbraw/zinc/93/93/16/1183939316.db2.gz RLBFPTJGTMGRKF-ZIAGYGMSSA-N 2 0 335.414 2.296 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269083225 1183945869 /nfs/dbraw/zinc/94/58/69/1183945869.db2.gz BUQPEQJZJPLWFJ-HOCLYGCPSA-N 2 0 325.472 2.095 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001269293225 1184144379 /nfs/dbraw/zinc/14/43/79/1184144379.db2.gz UJJZOBZGBLFYFK-INIZCTEOSA-N 2 0 336.480 2.056 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001269449203 1184274070 /nfs/dbraw/zinc/27/40/70/1184274070.db2.gz VPOSAQRWGIDWHD-ZWKOTPCHSA-N 2 0 335.467 2.337 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001269471195 1184294693 /nfs/dbraw/zinc/29/46/93/1184294693.db2.gz GJPBZFLSTQGDCH-KBPBESRZSA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001269598026 1184425865 /nfs/dbraw/zinc/42/58/65/1184425865.db2.gz UKUZZLATNWBRHM-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001270164553 1184891508 /nfs/dbraw/zinc/89/15/08/1184891508.db2.gz AGYCIJIIXQQGCP-CRAIPNDOSA-N 2 0 339.499 2.437 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001270194924 1184910156 /nfs/dbraw/zinc/91/01/56/1184910156.db2.gz XPLCLPIYUGFZBS-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001270194926 1184910522 /nfs/dbraw/zinc/91/05/22/1184910522.db2.gz XPLCLPIYUGFZBS-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270256436 1184964060 /nfs/dbraw/zinc/96/40/60/1184964060.db2.gz YMZSDZYUNTWLJW-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482305227 1185246652 /nfs/dbraw/zinc/24/66/52/1185246652.db2.gz UKELOXUFLLSNJG-MRXNPFEDSA-N 2 0 347.478 2.433 10 0 EEAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001270719480 1185341727 /nfs/dbraw/zinc/34/17/27/1185341727.db2.gz XDSBRNHUIOOUSX-LPHOPBHVSA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001280308984 1185541503 /nfs/dbraw/zinc/54/15/03/1185541503.db2.gz YDZLHSKHYIWXKF-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001482431342 1185697549 /nfs/dbraw/zinc/69/75/49/1185697549.db2.gz CJBNGXZEEXMYTF-HKUYNNGSSA-N 2 0 347.503 2.152 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001271402640 1186191081 /nfs/dbraw/zinc/19/10/81/1186191081.db2.gz GCCRBBQQLXHSCG-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642499 1187473353 /nfs/dbraw/zinc/47/33/53/1187473353.db2.gz JYMIWNAKJFQKBR-AWEZNQCLSA-N 2 0 337.430 2.451 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482651854 1187488021 /nfs/dbraw/zinc/48/80/21/1187488021.db2.gz LAZBJUGANCOLOO-IBGZPJMESA-N 2 0 346.519 2.401 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001272790668 1193500032 /nfs/dbraw/zinc/50/00/32/1193500032.db2.gz KGWRHXVVZXEJNR-BPQIPLTHSA-N 2 0 349.523 2.179 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001482682296 1187635108 /nfs/dbraw/zinc/63/51/08/1187635108.db2.gz NHDUCUXUGVUQCL-HOCLYGCPSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482831980 1187752455 /nfs/dbraw/zinc/75/24/55/1187752455.db2.gz DBLKCLSGJJPFSP-AWEZNQCLSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001482852531 1187772120 /nfs/dbraw/zinc/77/21/20/1187772120.db2.gz WZSOVURAMMHDDN-ZDUSSCGKSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001482867872 1187788442 /nfs/dbraw/zinc/78/84/42/1187788442.db2.gz MKZIGBFFRCNHLR-HNNXBMFYSA-N 2 0 335.467 2.194 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001482891363 1187818210 /nfs/dbraw/zinc/81/82/10/1187818210.db2.gz MWUIYSCNASOYLH-MNOVXSKESA-N 2 0 332.901 2.121 10 0 EEAERP CCN(CCNCc1ncc(C(C)(C)C)o1)C(=O)C[NH+]1CCCC1 ZINC001482968529 1187906520 /nfs/dbraw/zinc/90/65/20/1187906520.db2.gz NAGOUCJSOIMXJQ-UHFFFAOYSA-N 2 0 336.480 2.006 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001483009045 1187991285 /nfs/dbraw/zinc/99/12/85/1187991285.db2.gz BXFWQYRMBRLQTD-OVKVCFKUSA-N 2 0 329.488 2.364 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001691555612 1188258352 /nfs/dbraw/zinc/25/83/52/1188258352.db2.gz HRWWOMVCMLVBBD-QZTJIDSGSA-N 2 0 347.503 2.364 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCF)CC[C@@H]2C1 ZINC001691586489 1188286833 /nfs/dbraw/zinc/28/68/33/1188286833.db2.gz GFTDEDOQIGHEQJ-SJORKVTESA-N 2 0 325.472 2.002 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)CC[NH+]1CCCCC1 ZINC001691619059 1188319730 /nfs/dbraw/zinc/31/97/30/1188319730.db2.gz AJAANFGXJRWCEK-UHFFFAOYSA-N 2 0 335.467 2.292 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001483082125 1188445410 /nfs/dbraw/zinc/44/54/10/1188445410.db2.gz KWCFMHWEDGKHAX-WRFKIARRSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)sc1C ZINC001483138080 1188688848 /nfs/dbraw/zinc/68/88/48/1188688848.db2.gz VHKFIWSJLPAUTE-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001483162722 1188986821 /nfs/dbraw/zinc/98/68/21/1188986821.db2.gz LFOZRQGBAPWKPQ-CQSZACIVSA-N 2 0 337.895 2.319 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001483184028 1189055025 /nfs/dbraw/zinc/05/50/25/1189055025.db2.gz IRCMNIBVZOSDKM-APWZRJJASA-N 2 0 331.504 2.228 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1C ZINC001483197524 1189083267 /nfs/dbraw/zinc/08/32/67/1189083267.db2.gz LXZVHVYQZHUVHZ-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP CCC(CC)n1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001483228360 1189542127 /nfs/dbraw/zinc/54/21/27/1189542127.db2.gz OBOATUQPQUAEHL-HDMKZQKVSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001485874546 1193626925 /nfs/dbraw/zinc/62/69/25/1193626925.db2.gz ZIZQHHPGFAPILJ-ZBFHGGJFSA-N 2 0 338.521 2.261 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n1 ZINC001485916023 1193639087 /nfs/dbraw/zinc/63/90/87/1193639087.db2.gz IRXUIBODAVQOFK-INIZCTEOSA-N 2 0 346.519 2.483 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc2c(c1)COC2 ZINC001409572517 1190046094 /nfs/dbraw/zinc/04/60/94/1190046094.db2.gz BJFFFQMYTCWQPR-DNVCBOLYSA-N 2 0 345.487 2.138 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccn1 ZINC001409768033 1190261970 /nfs/dbraw/zinc/26/19/70/1190261970.db2.gz PECMNZHLARZDKV-GOSISDBHSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001483419835 1190465935 /nfs/dbraw/zinc/46/59/35/1190465935.db2.gz DAZQWSOJGPCUOW-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)CCc1c[nH]cn1 ZINC001483472135 1190492954 /nfs/dbraw/zinc/49/29/54/1190492954.db2.gz SCHULBXHMVDJCL-UHFFFAOYSA-N 2 0 335.839 2.029 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001483495710 1190511938 /nfs/dbraw/zinc/51/19/38/1190511938.db2.gz HZSCPHJNQFLDCB-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC001483680367 1190741293 /nfs/dbraw/zinc/74/12/93/1190741293.db2.gz AITMDOGBIDHMQD-LPHOPBHVSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001272556250 1190877242 /nfs/dbraw/zinc/87/72/42/1190877242.db2.gz PQSOLIUHXMMULX-KRWDZBQOSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2csc(C)n2)C1 ZINC001272624150 1190936287 /nfs/dbraw/zinc/93/62/87/1190936287.db2.gz HPYSSNFJZAAIQC-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001272654163 1190965522 /nfs/dbraw/zinc/96/55/22/1190965522.db2.gz VYGWKKMSYPDEGZ-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CCN1C(=O)CC[NH+](C)C ZINC001483907410 1191120050 /nfs/dbraw/zinc/12/00/50/1191120050.db2.gz BETLPDMOFIJYPK-RDJZCZTQSA-N 2 0 349.523 2.059 10 0 EEAERP COCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001483909138 1191120668 /nfs/dbraw/zinc/12/06/68/1191120668.db2.gz QGRGURHHXVGJLS-APWZRJJASA-N 2 0 347.503 2.020 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001484057382 1191185607 /nfs/dbraw/zinc/18/56/07/1191185607.db2.gz JCKSCZPOCGAMJL-PKOBYXMFSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)C[C@H](C)n3ccnc3)C2)no1 ZINC001484113233 1191213796 /nfs/dbraw/zinc/21/37/96/1191213796.db2.gz DVSYSWNKVQKQED-KSSFIOAISA-N 2 0 345.447 2.159 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCCCCF)CCC2(F)F)C1 ZINC001484195569 1191267736 /nfs/dbraw/zinc/26/77/36/1191267736.db2.gz HZILFOJIPNRRKW-HUUCEWRRSA-N 2 0 349.441 2.151 10 0 EEAERP CC1CC(C[N@@H+]2CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001484197550 1191269265 /nfs/dbraw/zinc/26/92/65/1191269265.db2.gz AIQHAKOGJAUXCX-NRXISQOPSA-N 2 0 331.451 2.058 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484519826 1191394074 /nfs/dbraw/zinc/39/40/74/1191394074.db2.gz BHKWVCNPPYQULV-QUCCMNQESA-N 2 0 341.499 2.357 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484537940 1191404594 /nfs/dbraw/zinc/40/45/94/1191404594.db2.gz QELAOROZARCZLH-SJORKVTESA-N 2 0 347.478 2.496 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001484568889 1191421666 /nfs/dbraw/zinc/42/16/66/1191421666.db2.gz VBTRHJWLOQLKGR-QAQDUYKDSA-N 2 0 339.499 2.487 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001484654734 1191458046 /nfs/dbraw/zinc/45/80/46/1191458046.db2.gz WBTOKWBDOMHWOC-SJORKVTESA-N 2 0 337.508 2.057 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001484910788 1191571487 /nfs/dbraw/zinc/57/14/87/1191571487.db2.gz YIMHYOSACIIYIP-WMZOPIPTSA-N 2 0 347.503 2.280 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485158330 1191673747 /nfs/dbraw/zinc/67/37/47/1191673747.db2.gz ZFFCZDQWGDGXOC-CHWSQXEVSA-N 2 0 339.430 2.432 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001485212516 1191695185 /nfs/dbraw/zinc/69/51/85/1191695185.db2.gz SVUWUHXKVYAEJK-HZPDHXFCSA-N 2 0 344.503 2.186 10 0 EEAERP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCC([NH2+]CCCF)CC1 ZINC001485238819 1191705203 /nfs/dbraw/zinc/70/52/03/1191705203.db2.gz PGKJZLDIDZGXHB-OFLPRAFFSA-N 2 0 325.472 2.047 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccnc(Cl)c1 ZINC001485373887 1191763290 /nfs/dbraw/zinc/76/32/90/1191763290.db2.gz YLVHMLNHJJWGRH-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001486252756 1193779859 /nfs/dbraw/zinc/77/98/59/1193779859.db2.gz IIZZPDPPGXKJJF-OCCSQVGLSA-N 2 0 335.414 2.107 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001486442355 1193970106 /nfs/dbraw/zinc/97/01/06/1193970106.db2.gz NLFKTQPSGDEGAC-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001410257048 1197640895 /nfs/dbraw/zinc/64/08/95/1197640895.db2.gz VYVYJULUHHLCFP-MRXNPFEDSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000872216070 1198092568 /nfs/dbraw/zinc/09/25/68/1198092568.db2.gz NJGLBJAORZNVFR-RTBURBONSA-N 2 0 346.515 2.400 10 0 EEAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000865456274 1198228282 /nfs/dbraw/zinc/22/82/82/1198228282.db2.gz GJDUNGCFDKMTLC-LBPRGKRZSA-N 2 0 349.372 2.450 10 0 EEAERP CC(=O)NCC1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000865472381 1198235480 /nfs/dbraw/zinc/23/54/80/1198235480.db2.gz ZVQRODXTSJRVIG-FDCMFXBMSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001410946237 1198612491 /nfs/dbraw/zinc/61/24/91/1198612491.db2.gz AXQOTPPTXSXENU-IAGOWNOFSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001410946850 1198612638 /nfs/dbraw/zinc/61/26/38/1198612638.db2.gz BZWHNUDQIIEBRP-SJLPKXTDSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001411170794 1198859667 /nfs/dbraw/zinc/85/96/67/1198859667.db2.gz PSFWCHHHCFFBHP-KRWDZBQOSA-N 2 0 341.540 2.048 10 0 EEAERP C(C[N@@H+]1CCCC2(CCCN(CC[NH+]3CCCC3)C2)C1)N1CCCC1 ZINC000810054330 1199226406 /nfs/dbraw/zinc/22/64/06/1199226406.db2.gz OLTXRPOQSHKTOH-UHFFFAOYSA-N 2 0 348.579 2.356 10 0 EEAERP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016966 1200409579 /nfs/dbraw/zinc/40/95/79/1200409579.db2.gz CSUYJAMFLWMDFS-IZBJGVDFSA-N 2 0 343.515 2.296 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)C[C@H]1C[NH+](C)C ZINC000870018920 1200410920 /nfs/dbraw/zinc/41/09/20/1200410920.db2.gz ZPPPWWYECFFUKG-QZTJIDSGSA-N 2 0 335.536 2.401 10 0 EEAERP CSc1ccccc1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022627 1200411950 /nfs/dbraw/zinc/41/19/50/1200411950.db2.gz VNIICKJLEVCCJE-IAGOWNOFSA-N 2 0 349.544 2.149 10 0 EEAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)CCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000870876547 1200926347 /nfs/dbraw/zinc/92/63/47/1200926347.db2.gz QZCKCAOHNDNKLM-PGYGNJIDSA-N 2 0 333.520 2.489 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000866665354 1201574461 /nfs/dbraw/zinc/57/44/61/1201574461.db2.gz UZZLXRSPODIBIE-DASIIQCKSA-N 2 0 344.455 2.327 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000866712306 1201586597 /nfs/dbraw/zinc/58/65/97/1201586597.db2.gz SNCBKXWNINCXSC-UQCMEYCASA-N 2 0 347.846 2.194 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000868234260 1201772394 /nfs/dbraw/zinc/77/23/94/1201772394.db2.gz ZSIXBOHEZDGKTE-NZSAHSFTSA-N 2 0 344.503 2.243 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001274318710 1204996039 /nfs/dbraw/zinc/99/60/39/1204996039.db2.gz SKFXJCOWYVRNKO-ONEGZZNKSA-N 2 0 335.879 2.444 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274760371 1205155213 /nfs/dbraw/zinc/15/52/13/1205155213.db2.gz MNYDDUOAHZBYQF-DNVCBOLYSA-N 2 0 347.478 2.194 10 0 EEAERP CCN1CC[C@H]1C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC001411650317 1205471781 /nfs/dbraw/zinc/47/17/81/1205471781.db2.gz ZVRSUWLHTAYJAD-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275928207 1205590078 /nfs/dbraw/zinc/59/00/78/1205590078.db2.gz GZPSYTOVYMBKQF-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000925119319 1206072107 /nfs/dbraw/zinc/07/21/07/1206072107.db2.gz WXKBEYJFEABMRI-HXUWFJFHSA-N 2 0 339.483 2.282 10 0 EEAERP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925521197 1206122423 /nfs/dbraw/zinc/12/24/23/1206122423.db2.gz IYDKGQCWICWXPE-RBUKOAKNSA-N 2 0 329.488 2.347 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925536747 1206124495 /nfs/dbraw/zinc/12/44/95/1206124495.db2.gz GXVLXLLONMDRHP-SQNIBIBYSA-N 2 0 325.460 2.193 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563635 1206128792 /nfs/dbraw/zinc/12/87/92/1206128792.db2.gz OTGNUYCQEJBMDN-NZSAHSFTSA-N 2 0 336.451 2.323 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C[C@@H]([NH3+])C1 ZINC000925673910 1206142437 /nfs/dbraw/zinc/14/24/37/1206142437.db2.gz ZQHWPFOWKLIRJU-KGLIPLIRSA-N 2 0 329.444 2.168 10 0 EEAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714842 1206145705 /nfs/dbraw/zinc/14/57/05/1206145705.db2.gz XMTCXXYZQCCWQR-CEXWTWQISA-N 3 0 335.536 2.244 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000925815160 1206156876 /nfs/dbraw/zinc/15/68/76/1206156876.db2.gz OLYAWCHNWLXVMP-INIZCTEOSA-N 2 0 327.476 2.005 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849351 1206160508 /nfs/dbraw/zinc/16/05/08/1206160508.db2.gz IOHPIESBCOEUHF-IRXDYDNUSA-N 2 0 329.444 2.198 10 0 EEAERP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858687 1206162130 /nfs/dbraw/zinc/16/21/30/1206162130.db2.gz ZHPHTBQLLHHTLQ-PBHICJAKSA-N 2 0 334.435 2.422 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925905849 1206166097 /nfs/dbraw/zinc/16/60/97/1206166097.db2.gz KACKAEMMZNCYLF-WMZOPIPTSA-N 2 0 347.507 2.058 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925907054 1206166622 /nfs/dbraw/zinc/16/66/22/1206166622.db2.gz WQFLUPDNTYUPJS-QZTJIDSGSA-N 2 0 347.507 2.200 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925909128 1206166947 /nfs/dbraw/zinc/16/69/47/1206166947.db2.gz CBAIOKGJIKIUQK-BPQIPLTHSA-N 2 0 347.507 2.056 10 0 EEAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000926126883 1206195979 /nfs/dbraw/zinc/19/59/79/1206195979.db2.gz SHOFVVYTBUMHMF-SLFFLAALSA-N 2 0 332.488 2.404 10 0 EEAERP C[C@H]1COC[C@H](C)C1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000926592323 1206230051 /nfs/dbraw/zinc/23/00/51/1206230051.db2.gz YCNYSPAHOOSZAP-IRXDYDNUSA-N 2 0 332.488 2.274 10 0 EEAERP COc1ccc2c(c1)C[C@H](C[NH+]1CCN(c3cc[nH+]cc3)CC1)O2 ZINC000929836049 1206506582 /nfs/dbraw/zinc/50/65/82/1206506582.db2.gz PICWPLNKDPCQPD-GOSISDBHSA-N 2 0 325.412 2.216 10 0 EEAERP C[N@H+](CCN1CCC([NH+]2CCCOCC2)CC1)Cc1ccccc1 ZINC000931284870 1206622024 /nfs/dbraw/zinc/62/20/24/1206622024.db2.gz BPNWMWUASZWUKY-UHFFFAOYSA-N 2 0 331.504 2.305 10 0 EEAERP COC[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000717998237 1211685465 /nfs/dbraw/zinc/68/54/65/1211685465.db2.gz YRXUGONRVZUTKS-LJQANCHMSA-N 2 0 332.488 2.418 10 0 EEAERP Cc1cnn(C)c1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718021669 1211702786 /nfs/dbraw/zinc/70/27/86/1211702786.db2.gz SGFDUQIMWXUOCK-UHFFFAOYSA-N 2 0 342.487 2.235 10 0 EEAERP NC(=O)CC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000718560244 1212461895 /nfs/dbraw/zinc/46/18/95/1212461895.db2.gz RNOVTVANDBSFGC-NQEVIQBJSA-N 2 0 327.472 2.283 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1 ZINC000900173520 1234065399 /nfs/dbraw/zinc/06/53/99/1234065399.db2.gz LRXDMJIWQCCJQT-GOSISDBHSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901360967 1235604923 /nfs/dbraw/zinc/60/49/23/1235604923.db2.gz MKSOAOQTXZTLRW-SJLPKXTDSA-N 2 0 327.472 2.109 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)[C@H]2CCC[C@H]21 ZINC000903149716 1239875702 /nfs/dbraw/zinc/87/57/02/1239875702.db2.gz IGLKZFOUIIZZKM-GADNRMJZSA-N 2 0 328.522 2.052 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000903149717 1239876127 /nfs/dbraw/zinc/87/61/27/1239876127.db2.gz IGLKZFOUIIZZKM-JWRYVHENSA-N 2 0 328.522 2.052 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1(C)C ZINC000903189386 1239971815 /nfs/dbraw/zinc/97/18/15/1239971815.db2.gz VIYCTXKSGMASEB-AWEZNQCLSA-N 2 0 345.553 2.089 10 0 EEAERP COc1cc(N[C@H]2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc(OC)c1 ZINC000903457089 1240524743 /nfs/dbraw/zinc/52/47/43/1240524743.db2.gz NCNQJCUXXDDCNI-PMPSAXMXSA-N 2 0 333.476 2.436 10 0 EEAERP CC(C)Cc1ccccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476145 1240586138 /nfs/dbraw/zinc/58/61/38/1240586138.db2.gz OKQWVSXYTHRQSQ-QRVBRYPASA-N 2 0 343.471 2.252 10 0 EEAERP Cc1ccc(OCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903511480 1240743337 /nfs/dbraw/zinc/74/33/37/1240743337.db2.gz VHNMGBFXJHVOLE-KDURUIRLSA-N 2 0 329.488 2.274 10 0 EEAERP c1csc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903718513 1241710448 /nfs/dbraw/zinc/71/04/48/1241710448.db2.gz NZNVOANIRXKWKX-BQFCYCMXSA-N 2 0 336.501 2.498 10 0 EEAERP COCC[N@@H+](Cc1cccs1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903876175 1242274791 /nfs/dbraw/zinc/27/47/91/1242274791.db2.gz FFJZDOHMYBOWGO-OAHLLOKOSA-N 2 0 336.505 2.056 10 0 EEAERP COc1ccccc1[C@@H]1CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897072 1242376981 /nfs/dbraw/zinc/37/69/81/1242376981.db2.gz YUJWHJNXYRFHIO-DLBZAZTESA-N 2 0 342.487 2.344 10 0 EEAERP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903955680 1242705594 /nfs/dbraw/zinc/70/55/94/1242705594.db2.gz AERUIFHWRPHDHQ-CYBMUJFWSA-N 2 0 331.451 2.248 10 0 EEAERP COCCN(C)c1ccc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000903959356 1242730692 /nfs/dbraw/zinc/73/06/92/1242730692.db2.gz GKBPXQDBWJVQNU-IBGZPJMESA-N 2 0 332.492 2.130 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](Cc3ocnc3C)CC[C@@H]21 ZINC001490983101 1258537975 /nfs/dbraw/zinc/53/79/75/1258537975.db2.gz NQXZGAYPMGKCPM-IRXDYDNUSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)C1 ZINC000900908330 1285615476 /nfs/dbraw/zinc/61/54/76/1285615476.db2.gz DNHMRIWGKIXFRZ-INIZCTEOSA-N 2 0 343.471 2.442 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001489267967 1290473805 /nfs/dbraw/zinc/47/38/05/1290473805.db2.gz UJXUFGYVGXLMJK-OIISXLGYSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001489271968 1290499008 /nfs/dbraw/zinc/49/90/08/1290499008.db2.gz NJCAISWOCLBYEI-FMKPAKJESA-N 2 0 343.462 2.485 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC001490447859 1291314634 /nfs/dbraw/zinc/31/46/34/1291314634.db2.gz IREITSBRLXMCCV-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C(=O)OC ZINC000851984715 1291942769 /nfs/dbraw/zinc/94/27/69/1291942769.db2.gz DYZUPOAZQZSLFE-SJLPKXTDSA-N 2 0 328.497 2.277 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852040891 1291967503 /nfs/dbraw/zinc/96/75/03/1291967503.db2.gz PGNVYILZWLGBMV-IZGVIRRGSA-N 2 0 334.397 2.128 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@@H]3CCOC3)C2)ccn1 ZINC000856551269 1293564418 /nfs/dbraw/zinc/56/44/18/1293564418.db2.gz OAPCJQJNMWRWNT-VQIMIIECSA-N 2 0 333.476 2.413 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3(O)CCC3)C2)ccn1 ZINC000856584343 1293572764 /nfs/dbraw/zinc/57/27/64/1293572764.db2.gz IDSNEGFRQTVOOU-GOSISDBHSA-N 2 0 333.476 2.292 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](O)C3CC3)C2)ccn1 ZINC000856605929 1293579881 /nfs/dbraw/zinc/57/98/81/1293579881.db2.gz GXIPLAGOMGXNDR-MOPGFXCFSA-N 2 0 333.476 2.146 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC000859622964 1294555568 /nfs/dbraw/zinc/55/55/68/1294555568.db2.gz QDVDVTHNYMUZCY-WBVHZDCISA-N 2 0 345.491 2.091 10 0 EEAERP CCc1ccc(CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549301 1296330254 /nfs/dbraw/zinc/33/02/54/1296330254.db2.gz HPDYFSLTXJLAOS-MOPGFXCFSA-N 2 0 343.471 2.049 10 0 EEAERP O=C(C[C@H]1CC=CCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000931255854 1297126969 /nfs/dbraw/zinc/12/69/69/1297126969.db2.gz VNJAUGRUHLFAPA-SFHVURJKSA-N 2 0 342.487 2.456 10 0 EEAERP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCOC(C)C ZINC001276774579 1297588014 /nfs/dbraw/zinc/58/80/14/1297588014.db2.gz XVMFDILYSBXDLP-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H](C[NH2+]CCF)C1CC1 ZINC001277677894 1304162387 /nfs/dbraw/zinc/16/23/87/1304162387.db2.gz PGIJESUULPEEOV-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001277696384 1304205007 /nfs/dbraw/zinc/20/50/07/1304205007.db2.gz WVHBCBKGFWSTNH-CRAIPNDOSA-N 2 0 345.478 2.385 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001277757925 1304352706 /nfs/dbraw/zinc/35/27/06/1304352706.db2.gz YNPZNWFCKAJUHD-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001278421731 1310193038 /nfs/dbraw/zinc/19/30/38/1310193038.db2.gz YEDYVGUXMNHIGB-BQFCYCMXSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841927151 1315638843 /nfs/dbraw/zinc/63/88/43/1315638843.db2.gz HQCIPPMOEUMBJT-CRAIPNDOSA-N 2 0 332.492 2.060 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCOC(C)C)C(C)(C)C ZINC001279034234 1319053709 /nfs/dbraw/zinc/05/37/09/1319053709.db2.gz LISGIFIYASNVNU-SJORKVTESA-N 2 0 341.540 2.406 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001264187478 1322654504 /nfs/dbraw/zinc/65/45/04/1322654504.db2.gz VODVAWWBYRYPGU-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264678200 1322780380 /nfs/dbraw/zinc/78/03/80/1322780380.db2.gz QKGIFCWLAQQEPF-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](CCF)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001265114857 1322927892 /nfs/dbraw/zinc/92/78/92/1322927892.db2.gz QZHQGGFVJNMAGU-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cnc(Cl)s1 ZINC001265127956 1322935518 /nfs/dbraw/zinc/93/55/18/1322935518.db2.gz LJCIKBHTZXHGQY-CYBMUJFWSA-N 2 0 344.912 2.219 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC001265316871 1323064685 /nfs/dbraw/zinc/06/46/85/1323064685.db2.gz FCTCYKIRPIGYRF-GOSISDBHSA-N 2 0 345.487 2.132 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265656201 1323301277 /nfs/dbraw/zinc/30/12/77/1323301277.db2.gz YBBTXFZDUNTWOG-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001265678048 1323315719 /nfs/dbraw/zinc/31/57/19/1323315719.db2.gz UMIFARMXSRUQHZ-MRXNPFEDSA-N 2 0 345.422 2.211 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccnc(Cl)c1 ZINC001265682708 1323318400 /nfs/dbraw/zinc/31/84/00/1323318400.db2.gz WRGPKURLGGRWGC-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265683464 1323318786 /nfs/dbraw/zinc/31/87/86/1323318786.db2.gz ANUIPGYWZOJSAZ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001265734701 1323355410 /nfs/dbraw/zinc/35/54/10/1323355410.db2.gz CDMJDMHTLCZNIE-UHFFFAOYSA-N 2 0 339.505 2.087 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCOc1ccccc1 ZINC001265790108 1323381782 /nfs/dbraw/zinc/38/17/82/1323381782.db2.gz GHARUFDOGAXIKQ-QGZVFWFLSA-N 2 0 345.487 2.036 10 0 EEAERP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265975412 1323535215 /nfs/dbraw/zinc/53/52/15/1323535215.db2.gz AANGBCFMCXZQBH-CVEARBPZSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978758 1323539232 /nfs/dbraw/zinc/53/92/32/1323539232.db2.gz WZKRRCXRZBXLCU-UHFFFAOYSA-N 2 0 336.480 2.106 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001266029381 1323579991 /nfs/dbraw/zinc/57/99/91/1323579991.db2.gz PNJCBVCOQPIBCN-UXHICEINSA-N 2 0 343.515 2.317 10 0 EEAERP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001266099797 1323662488 /nfs/dbraw/zinc/66/24/88/1323662488.db2.gz MUPPUPCJUCLPHR-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001280295557 1324146346 /nfs/dbraw/zinc/14/63/46/1324146346.db2.gz JELQKNFJMKWWOR-HZPDHXFCSA-N 2 0 348.491 2.078 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001280307737 1324152119 /nfs/dbraw/zinc/15/21/19/1324152119.db2.gz NYXLXAFKDNCWPQ-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCF)CC2)CC1 ZINC001280376623 1324185439 /nfs/dbraw/zinc/18/54/39/1324185439.db2.gz ROJMTXUJROSKJF-QAQDUYKDSA-N 2 0 327.488 2.343 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001281003719 1324709406 /nfs/dbraw/zinc/70/94/06/1324709406.db2.gz BBBYOKZQMHCEHH-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001281476400 1325147443 /nfs/dbraw/zinc/14/74/43/1325147443.db2.gz SDJNEHVSAPTYHY-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001281519106 1325213336 /nfs/dbraw/zinc/21/33/36/1325213336.db2.gz HNCAXASVWXYSDS-UHFFFAOYSA-N 2 0 337.508 2.034 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)cnc2c1 ZINC001281939225 1325518919 /nfs/dbraw/zinc/51/89/19/1325518919.db2.gz CVNFEJBZUVUSLR-KRWDZBQOSA-N 2 0 344.459 2.216 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001282269785 1325673183 /nfs/dbraw/zinc/67/31/83/1325673183.db2.gz GYTFJDWTJLHCGC-UHFFFAOYSA-N 2 0 347.503 2.376 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccnc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001283190745 1325950393 /nfs/dbraw/zinc/95/03/93/1325950393.db2.gz FRNRMTFNFBMNAL-QGZVFWFLSA-N 2 0 344.503 2.332 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027336 1326369167 /nfs/dbraw/zinc/36/91/67/1326369167.db2.gz UNVSMQZTHURGTL-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCOCC(C)C)CC2)[NH+](C)C ZINC001284073196 1326394444 /nfs/dbraw/zinc/39/44/44/1326394444.db2.gz ZNKPHXWFCHEUGF-AOIWGVFYSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001284199708 1326457429 /nfs/dbraw/zinc/45/74/29/1326457429.db2.gz XSFVCXBCYQCYPM-YKHJJTLOSA-N 2 0 327.900 2.488 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001284967243 1326799807 /nfs/dbraw/zinc/79/98/07/1326799807.db2.gz NCVUVOWVDKXFDW-RTBURBONSA-N 2 0 349.519 2.178 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCc1nc2c(o1)CCCC2 ZINC001491682138 1330203787 /nfs/dbraw/zinc/20/37/87/1330203787.db2.gz JGUUDRNEHZWKAR-GDBMZVCRSA-N 2 0 348.491 2.022 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCc1nc2c(o1)CCCC2 ZINC001491682140 1330204009 /nfs/dbraw/zinc/20/40/09/1330204009.db2.gz JGUUDRNEHZWKAR-HOCLYGCPSA-N 2 0 348.491 2.022 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCOC2CCCCCC2)C1 ZINC001491833346 1330268180 /nfs/dbraw/zinc/26/81/80/1330268180.db2.gz YFEVCPUJCHPXQI-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncc(F)c1 ZINC001492037095 1330460951 /nfs/dbraw/zinc/46/09/51/1330460951.db2.gz PQAHQTDCLHQNQQ-RHSMWYFYSA-N 2 0 336.455 2.080 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001492154685 1331017196 /nfs/dbraw/zinc/01/71/96/1331017196.db2.gz RMJJWQXBBUTVEG-IXDOHACOSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001492177516 1331056236 /nfs/dbraw/zinc/05/62/36/1331056236.db2.gz HFFIVEKYVRRJFL-OALUTQOASA-N 2 0 344.503 2.203 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1cncs1 ZINC001316834714 1331377031 /nfs/dbraw/zinc/37/70/31/1331377031.db2.gz JWOWEDHMXFSJAF-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001316734162 1331393123 /nfs/dbraw/zinc/39/31/23/1331393123.db2.gz KLPFUGFFFLWZQK-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CCN1CCO[C@H](C(=O)NCCC[N@H+](CC)CC2CCCCC2)C1 ZINC001316909895 1331975692 /nfs/dbraw/zinc/97/56/92/1331975692.db2.gz WPIZJTZBRAWZIZ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CN(C)c1cccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001317066866 1332067702 /nfs/dbraw/zinc/06/77/02/1332067702.db2.gz GIZZDQDRINEUKR-SFHVURJKSA-N 2 0 346.519 2.175 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1)[NH+](C)C ZINC001317336823 1332184214 /nfs/dbraw/zinc/18/42/14/1332184214.db2.gz JAHRFHGRLBZUMK-OALUTQOASA-N 2 0 331.504 2.398 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001317365685 1332197079 /nfs/dbraw/zinc/19/70/79/1332197079.db2.gz ZEJHDYWPUVLICO-ZWKOTPCHSA-N 2 0 332.492 2.331 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001317395737 1332212758 /nfs/dbraw/zinc/21/27/58/1332212758.db2.gz BIJPODBLRGRGGQ-PKOBYXMFSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001317421555 1332225178 /nfs/dbraw/zinc/22/51/78/1332225178.db2.gz DEFSNZWGYIEGTD-IAGOWNOFSA-N 2 0 325.472 2.049 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1CCOCC1CCC1)C12CCC[NH+]1CCC2 ZINC001317503862 1332269925 /nfs/dbraw/zinc/26/99/25/1332269925.db2.gz TYYRKCRGAOJLJJ-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661876 1332356422 /nfs/dbraw/zinc/35/64/22/1332356422.db2.gz PYIHLMSLCBJJEC-ZDUSSCGKSA-N 2 0 341.858 2.021 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC(CC[NH2+]C/C=C/Cl)CC2)CC1 ZINC001318906142 1332621285 /nfs/dbraw/zinc/62/12/85/1332621285.db2.gz BTTSNGCHFWQPMK-YCRREMRBSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)OCCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001319405604 1332696391 /nfs/dbraw/zinc/69/63/91/1332696391.db2.gz UDVIMVGVZNKVSG-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001319697857 1332744868 /nfs/dbraw/zinc/74/48/68/1332744868.db2.gz PTXJWSWKCWUONI-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cnc(C)o2)C1 ZINC001320527556 1332903277 /nfs/dbraw/zinc/90/32/77/1332903277.db2.gz ANJWFEAUTSBKMQ-GOEBONIOSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001320553147 1332908797 /nfs/dbraw/zinc/90/87/97/1332908797.db2.gz QDCQDAMTTKWZOS-LRDDRELGSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1cc(F)ccc1F ZINC001321337605 1333078334 /nfs/dbraw/zinc/07/83/34/1333078334.db2.gz PRFRNQKGKWRMBX-PYLYLYNFSA-N 2 0 349.425 2.384 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001322089958 1333207409 /nfs/dbraw/zinc/20/74/09/1333207409.db2.gz XTZWCLCRUDYMBY-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001322337717 1333249370 /nfs/dbraw/zinc/24/93/70/1333249370.db2.gz NIBYCYAFQUXJNR-IRXDYDNUSA-N 2 0 339.499 2.487 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001324082783 1333604820 /nfs/dbraw/zinc/60/48/20/1333604820.db2.gz SYZIUNOFNVKNFA-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)cn1 ZINC001324261447 1333644516 /nfs/dbraw/zinc/64/45/16/1333644516.db2.gz QYLRSLFBFMFMMV-IRXDYDNUSA-N 2 0 347.507 2.159 10 0 EEAERP CCCCC[NH+]1CCC(C)(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001324318407 1333656675 /nfs/dbraw/zinc/65/66/75/1333656675.db2.gz KTUKQVSXKJPTCH-UHFFFAOYSA-N 2 0 349.523 2.219 10 0 EEAERP CCCCOCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001324334486 1333660425 /nfs/dbraw/zinc/66/04/25/1333660425.db2.gz KZFNQJREVXXNMX-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)C1CCC1 ZINC001324483883 1333692538 /nfs/dbraw/zinc/69/25/38/1333692538.db2.gz UHNONEFUTBXYBK-ZWIJEDICSA-N 2 0 327.900 2.488 10 0 EEAERP Cn1cncc1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC001325916946 1333993527 /nfs/dbraw/zinc/99/35/27/1333993527.db2.gz ATYXNZMAKILVEL-SJORKVTESA-N 2 0 336.455 2.168 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)C1 ZINC001326736027 1334152022 /nfs/dbraw/zinc/15/20/22/1334152022.db2.gz DSIXWHJESJYAMS-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP CCOCC[N@@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001327684323 1334334050 /nfs/dbraw/zinc/33/40/50/1334334050.db2.gz BVSUQIIXXRUVKE-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001327925336 1334365185 /nfs/dbraw/zinc/36/51/85/1334365185.db2.gz NZQXTBDIABVRCJ-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001327945722 1334368413 /nfs/dbraw/zinc/36/84/13/1334368413.db2.gz XDUFAAWQWDMRDI-HKUYNNGSSA-N 2 0 329.488 2.152 10 0 EEAERP CC[N@H+](CCCOC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001328578431 1334482845 /nfs/dbraw/zinc/48/28/45/1334482845.db2.gz OVGINCHMSTZRFE-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001331920433 1335675457 /nfs/dbraw/zinc/67/54/57/1335675457.db2.gz YHRZGQPFMSNYOA-MAUKXSAKSA-N 2 0 335.467 2.343 10 0 EEAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]Cc2ccccn2)C1 ZINC001333151162 1335971656 /nfs/dbraw/zinc/97/16/56/1335971656.db2.gz NYUVSBMGSNVZTQ-UHFFFAOYSA-N 2 0 344.503 2.427 10 0 EEAERP C[N@H+](CC(=O)NCC1=CC[NH+](CC[C@@H]2CCCCO2)CC1)C1CCC1 ZINC001333354425 1336017417 /nfs/dbraw/zinc/01/74/17/1336017417.db2.gz JBIZYGLIBFBOSU-IBGZPJMESA-N 2 0 349.519 2.178 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001479815538 1337396092 /nfs/dbraw/zinc/39/60/92/1337396092.db2.gz JJOUFPSCGTYIBA-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP c1csc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC001200161407 1338098747 /nfs/dbraw/zinc/09/87/47/1338098747.db2.gz GNFVHSZPGQDQTK-UHFFFAOYSA-N 2 0 331.489 2.230 10 0 EEAERP COCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001666211677 1355485721 /nfs/dbraw/zinc/48/57/21/1355485721.db2.gz MXLBTYKQNINXSN-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH+]2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001506674871 1342309815 /nfs/dbraw/zinc/30/98/15/1342309815.db2.gz IOQRZMBSBCPQKP-SFHVURJKSA-N 2 0 343.515 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CCCOC)CC2)C1 ZINC001566612011 1342580006 /nfs/dbraw/zinc/58/00/06/1342580006.db2.gz XDKZRPGKCIXMRJ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC001567265827 1342727857 /nfs/dbraw/zinc/72/78/57/1342727857.db2.gz FPWNAZMXWOYNDL-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP COCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001569859377 1342959723 /nfs/dbraw/zinc/95/97/23/1342959723.db2.gz WIFNLPGQKNOCEY-BCDXTJNWSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001570019212 1343001170 /nfs/dbraw/zinc/00/11/70/1343001170.db2.gz OXWIVYCZLPDISC-RBUKOAKNSA-N 2 0 329.488 2.275 10 0 EEAERP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001570897205 1343134155 /nfs/dbraw/zinc/13/41/55/1343134155.db2.gz OXBLJXBVTNPVHV-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001570955909 1343142722 /nfs/dbraw/zinc/14/27/22/1343142722.db2.gz USKLWIYYINIDLA-YGCDYWBJSA-N 2 0 333.520 2.369 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001571679429 1343270023 /nfs/dbraw/zinc/27/00/23/1343270023.db2.gz ZOVUWTZIGAVCEK-ROUUACIJSA-N 2 0 347.503 2.072 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001676317923 1357134079 /nfs/dbraw/zinc/13/40/79/1357134079.db2.gz DJERZNCYEMRHMM-QAPCUYQASA-N 2 0 335.467 2.289 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001676767218 1357196703 /nfs/dbraw/zinc/19/67/03/1357196703.db2.gz MZJMRHQQLKIQHN-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001677562232 1357356865 /nfs/dbraw/zinc/35/68/65/1357356865.db2.gz FWEQVULKEHLUGW-RTLBZRNLSA-N 2 0 331.504 2.433 10 0 EEAERP COCC[N@H+](CCCOCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC001644099551 1352757286 /nfs/dbraw/zinc/75/72/86/1352757286.db2.gz VOYWDLVDNMZABH-UHFFFAOYSA-N 2 0 326.403 2.246 10 0 EEAERP CNc1cc(CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ccn1 ZINC001646934521 1353056347 /nfs/dbraw/zinc/05/63/47/1353056347.db2.gz BVXUTQSBWAEELU-UHFFFAOYSA-N 2 0 345.422 2.194 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC001649358732 1353495643 /nfs/dbraw/zinc/49/56/43/1353495643.db2.gz UQTZQCAIBYIAPV-SLFFLAALSA-N 2 0 341.499 2.355 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cncc(C)c1 ZINC001649436623 1353503801 /nfs/dbraw/zinc/50/38/01/1353503801.db2.gz FZPHOTZNBVZGIU-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001649465464 1353520418 /nfs/dbraw/zinc/52/04/18/1353520418.db2.gz XRJDBYMVJDVTDC-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH2+][C@@H](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001649838531 1353621814 /nfs/dbraw/zinc/62/18/14/1353621814.db2.gz UVHWUYUDGSNTPU-INIZCTEOSA-N 2 0 332.492 2.470 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001656201146 1354214045 /nfs/dbraw/zinc/21/40/45/1354214045.db2.gz QJLYTKWPASHWIN-MQMHXKEQSA-N 2 0 327.469 2.267 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(F)c(Cl)c1 ZINC001660395185 1354456311 /nfs/dbraw/zinc/45/63/11/1354456311.db2.gz BJCRXDMUCSQBJO-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001661310298 1354626404 /nfs/dbraw/zinc/62/64/04/1354626404.db2.gz JDRRKBSEAFDWMQ-ZWKOTPCHSA-N 2 0 347.528 2.213 10 0 EEAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001661446061 1354640128 /nfs/dbraw/zinc/64/01/28/1354640128.db2.gz ONWWXNWHVVJZRE-SHTZXODSSA-N 2 0 325.416 2.084 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001661496003 1354645694 /nfs/dbraw/zinc/64/56/94/1354645694.db2.gz KXZLYMCXOPEPLI-BHIYHBOVSA-N 2 0 347.478 2.337 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001661897092 1354720946 /nfs/dbraw/zinc/72/09/46/1354720946.db2.gz ZTWSSXPQXLEMKH-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001661977052 1354732001 /nfs/dbraw/zinc/73/20/01/1354732001.db2.gz JNRGCYPAIQBYIZ-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCOc2cccc(C)c2)C1)[NH+](C)C ZINC001662650934 1354820075 /nfs/dbraw/zinc/82/00/75/1354820075.db2.gz VGDPZVBVPGWWEU-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662785861 1354846710 /nfs/dbraw/zinc/84/67/10/1354846710.db2.gz RWRKEVXMKCODJL-QZTJIDSGSA-N 2 0 333.476 2.025 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662796688 1354848812 /nfs/dbraw/zinc/84/88/12/1354848812.db2.gz DMYWOPSVWISMIY-ROUUACIJSA-N 2 0 333.476 2.025 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001663587876 1354994102 /nfs/dbraw/zinc/99/41/02/1354994102.db2.gz UTJJMFPSFVLDAE-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001664018549 1355074957 /nfs/dbraw/zinc/07/49/57/1355074957.db2.gz SQCFHBJEFCSODL-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H](C(=O)N(C)CC[NH2+]CCC[C@H]1CCOC1)[NH+]1CCCCCC1 ZINC001664227370 1355116964 /nfs/dbraw/zinc/11/69/64/1355116964.db2.gz PKDNOGUYBVVWQQ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001665636144 1355342520 /nfs/dbraw/zinc/34/25/20/1355342520.db2.gz DUVUBGPIXPRAMT-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001666031614 1355428540 /nfs/dbraw/zinc/42/85/40/1355428540.db2.gz DXFUDAPODQNBNV-SWLSCSKDSA-N 2 0 335.414 2.155 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F)C1 ZINC001666604867 1355551638 /nfs/dbraw/zinc/55/16/38/1355551638.db2.gz BNPUAZLJMNMAAF-ZIAGYGMSSA-N 2 0 337.430 2.403 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F)C1 ZINC001666604866 1355551907 /nfs/dbraw/zinc/55/19/07/1355551907.db2.gz BNPUAZLJMNMAAF-UONOGXRCSA-N 2 0 337.430 2.403 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)o1 ZINC001667209759 1355673406 /nfs/dbraw/zinc/67/34/06/1355673406.db2.gz BTZGDRLRBOOOER-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)s1 ZINC001667296464 1355702272 /nfs/dbraw/zinc/70/22/72/1355702272.db2.gz NIOVALSDFHDHHL-AWEZNQCLSA-N 2 0 347.488 2.278 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001667301636 1355702969 /nfs/dbraw/zinc/70/29/69/1355702969.db2.gz HKBBMCJPKJAVBZ-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001667307426 1355705897 /nfs/dbraw/zinc/70/58/97/1355705897.db2.gz XPPOUPYBUDJEFN-HZPDHXFCSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001668059344 1355857968 /nfs/dbraw/zinc/85/79/68/1355857968.db2.gz FDJXLFYAMORMQE-CJNGLKHVSA-N 2 0 336.480 2.149 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668430764 1355939580 /nfs/dbraw/zinc/93/95/80/1355939580.db2.gz FJONBQCUBBUCCH-GOSISDBHSA-N 2 0 347.478 2.414 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001668745098 1355995540 /nfs/dbraw/zinc/99/55/40/1355995540.db2.gz AQYXYFBZERDQNG-VOFKWLDRSA-N 2 0 329.488 2.468 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001668833687 1356016123 /nfs/dbraw/zinc/01/61/23/1356016123.db2.gz JATIBHVFRNZFHS-YMQRJHMESA-N 2 0 348.491 2.038 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001668847915 1356021656 /nfs/dbraw/zinc/02/16/56/1356021656.db2.gz KCUAMMAOPFFACH-ONEGZZNKSA-N 2 0 344.484 2.281 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669182232 1356117551 /nfs/dbraw/zinc/11/75/51/1356117551.db2.gz AXAVSFJYWBXMAF-GWQWAINWSA-N 2 0 329.435 2.026 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cn1)[NH+]1CCCC1 ZINC001669208795 1356126096 /nfs/dbraw/zinc/12/60/96/1356126096.db2.gz VZWOQZCWOUCLOE-DDKKJVIOSA-N 2 0 348.466 2.103 10 0 EEAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001669400044 1356154948 /nfs/dbraw/zinc/15/49/48/1356154948.db2.gz YVZXQXMOCXHHKN-CYBMUJFWSA-N 2 0 345.409 2.451 10 0 EEAERP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001669882920 1356231926 /nfs/dbraw/zinc/23/19/26/1356231926.db2.gz SJBQVLKGWXCZNO-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1C ZINC001670245916 1356302631 /nfs/dbraw/zinc/30/26/31/1356302631.db2.gz JGNRNEHZIHCKFG-MRXNPFEDSA-N 2 0 347.503 2.284 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC001672424474 1356520420 /nfs/dbraw/zinc/52/04/20/1356520420.db2.gz HNLLTOZWQVCMSQ-IXDOHACOSA-N 2 0 325.472 2.001 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001674019496 1356775269 /nfs/dbraw/zinc/77/52/69/1356775269.db2.gz YQCLNBJKNXDSRY-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001691837511 1404949864 /nfs/dbraw/zinc/94/98/64/1404949864.db2.gz FCTOCGPJZFVOAQ-INMHGKMJSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001692103840 1404973401 /nfs/dbraw/zinc/97/34/01/1404973401.db2.gz BPEJEEUWFPDHFX-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001698766931 1405052020 /nfs/dbraw/zinc/05/20/20/1405052020.db2.gz ZGHYIZBLJPJFPO-QGZVFWFLSA-N 2 0 345.531 2.475 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001698858349 1405114728 /nfs/dbraw/zinc/11/47/28/1405114728.db2.gz VBGAFHMCSKFXHC-MRXNPFEDSA-N 2 0 347.478 2.291 10 0 EEAERP COc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001699114494 1405269588 /nfs/dbraw/zinc/26/95/88/1405269588.db2.gz GLBZYWBTCWWPEE-VQIMIIECSA-N 2 0 347.503 2.206 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001699331777 1405338860 /nfs/dbraw/zinc/33/88/60/1405338860.db2.gz GVTYPTUGNQHZJX-HPFMTEOYSA-N 2 0 335.467 2.482 10 0 EEAERP CN(CCC[NH2+]CCOC1CCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699537854 1405377024 /nfs/dbraw/zinc/37/70/24/1405377024.db2.gz FTHNBNRZZOYLFV-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001699758679 1405469111 /nfs/dbraw/zinc/46/91/11/1405469111.db2.gz MSUMMPSILRRSIW-QKIXSCASSA-N 2 0 349.906 2.494 10 0 EEAERP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+](CCCCCF)C1 ZINC001699813876 1405503355 /nfs/dbraw/zinc/50/33/55/1405503355.db2.gz NLCDASUGVVCIRY-SJLPKXTDSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699950693 1405599690 /nfs/dbraw/zinc/59/96/90/1405599690.db2.gz PBRFAHVZWLAASS-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC001167458207 759633741 /nfs/dbraw/zinc/63/37/41/759633741.db2.gz SHYZUQTXGQWBOQ-IEBWSBKVSA-N 2 0 340.508 2.279 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000921432033 773368421 /nfs/dbraw/zinc/36/84/21/773368421.db2.gz FJXUMZPVDMXTNK-CIRFHOKZSA-N 2 0 330.476 2.041 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)ncc1F ZINC000925810725 777463693 /nfs/dbraw/zinc/46/36/93/777463693.db2.gz FRCSUPRLYMPXSE-SNVBAGLBSA-N 2 0 345.260 2.057 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@H](O)C3CC3)CC2)c1 ZINC000818955301 785342085 /nfs/dbraw/zinc/34/20/85/785342085.db2.gz RBECDCCFXPXUOI-FQEVSTJZSA-N 2 0 331.504 2.258 10 0 EEAERP Cc1cc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc(C)n1 ZINC000922927821 788357700 /nfs/dbraw/zinc/35/77/00/788357700.db2.gz XQSNKQPHEBBDFM-HZPDHXFCSA-N 2 0 334.489 2.077 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915855 788473590 /nfs/dbraw/zinc/47/35/90/788473590.db2.gz KMPBABDFAZUKQU-OALUTQOASA-N 2 0 327.472 2.348 10 0 EEAERP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918540 788476678 /nfs/dbraw/zinc/47/66/78/788476678.db2.gz FLXWPBDPZFEXJB-OALUTQOASA-N 2 0 327.472 2.205 10 0 EEAERP C[C@H](C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)[NH+](C)C ZINC000913083733 788615501 /nfs/dbraw/zinc/61/55/01/788615501.db2.gz DRSSDNAOSDVISI-NSISKUIASA-N 2 0 329.488 2.307 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)CN1CCc2ccccc2C1 ZINC000921525308 788843952 /nfs/dbraw/zinc/84/39/52/788843952.db2.gz QMWADSUDULATPT-CWJKEVGVSA-N 2 0 344.499 2.200 10 0 EEAERP C[NH+](C)C1(C)CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000913393607 788848959 /nfs/dbraw/zinc/84/89/59/788848959.db2.gz UQLCOEZYUFQPNT-UHFFFAOYSA-N 2 0 329.488 2.378 10 0 EEAERP O=C1C[C@H](c2ccccc2)[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923306274 789348570 /nfs/dbraw/zinc/34/85/70/789348570.db2.gz JVENEWABTRALAT-ZCTYVAAUSA-N 2 0 327.472 2.470 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439087 789562660 /nfs/dbraw/zinc/56/26/60/789562660.db2.gz CMWGWYDSGJRCNJ-CJNGLKHVSA-N 2 0 342.842 2.342 10 0 EEAERP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455418 789571365 /nfs/dbraw/zinc/57/13/65/789571365.db2.gz LQHRQHVBNCZXMO-FUHWJXTLSA-N 2 0 345.487 2.036 10 0 EEAERP CCc1ccccc1NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456420 789573074 /nfs/dbraw/zinc/57/30/74/789573074.db2.gz PFNNLKJAWKXUII-MRXNPFEDSA-N 2 0 331.460 2.017 10 0 EEAERP Cc1cc(C)cc(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923458407 789575864 /nfs/dbraw/zinc/57/58/64/789575864.db2.gz OURPFKPQXZJXPB-KRWDZBQOSA-N 2 0 331.460 2.072 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC000923453178 789587246 /nfs/dbraw/zinc/58/72/46/789587246.db2.gz LGMZNSLGLOKVSK-CYBMUJFWSA-N 2 0 338.835 2.399 10 0 EEAERP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923502471 789667248 /nfs/dbraw/zinc/66/72/48/789667248.db2.gz ZPGMNIJNVKLLCE-APWZRJJASA-N 2 0 331.504 2.385 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000846141102 790073086 /nfs/dbraw/zinc/07/30/86/790073086.db2.gz KXPJAUZSNYOCGA-UHFFFAOYSA-N 2 0 336.524 2.459 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913891072 794490183 /nfs/dbraw/zinc/49/01/83/794490183.db2.gz IORNBVHNLDWTMQ-ILXRZTDVSA-N 2 0 336.505 2.277 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000913946047 794625397 /nfs/dbraw/zinc/62/53/97/794625397.db2.gz GADWXBOPXXGVGT-YJBOKZPZSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000915163150 795693643 /nfs/dbraw/zinc/69/36/43/795693643.db2.gz AKVZAEZJAPSTAN-MAUKXSAKSA-N 2 0 336.524 2.423 10 0 EEAERP NC(=O)[C@H]1CCCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000952994142 796139856 /nfs/dbraw/zinc/13/98/56/796139856.db2.gz MOXPHUNDRJKOPE-LJQANCHMSA-N 2 0 329.488 2.281 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716679657 796405988 /nfs/dbraw/zinc/40/59/88/796405988.db2.gz FLLMARVIFPGOSC-UFYCRDLUSA-N 3 0 343.515 2.086 10 0 EEAERP C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716694233 796443444 /nfs/dbraw/zinc/44/34/44/796443444.db2.gz SAVSFSSNSRODOK-JBDAPHQKSA-N 2 0 330.472 2.169 10 0 EEAERP c1ccc(-c2ncc(C[NH2+]CCCC[NH+]3CCOCC3)cn2)cc1 ZINC000069707699 800087471 /nfs/dbraw/zinc/08/74/71/800087471.db2.gz VFSBGFFHAOLWSS-UHFFFAOYSA-N 2 0 326.444 2.346 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc[nH]c(=O)c3)cn2)CC1 ZINC000788541490 807567408 /nfs/dbraw/zinc/56/74/08/807567408.db2.gz ZQOVERRDMRHKSW-HNNXBMFYSA-N 2 0 341.459 2.175 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565943891 1125470051 /nfs/dbraw/zinc/47/00/51/1125470051.db2.gz WJYZBNHXBJGJTG-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001566125858 1125574597 /nfs/dbraw/zinc/57/45/97/1125574597.db2.gz VEGWQOMHEUXMHH-AWEZNQCLSA-N 2 0 336.505 2.012 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)Cc2cccnc2)cc1 ZINC001566500971 1125669093 /nfs/dbraw/zinc/66/90/93/1125669093.db2.gz UDHXJPXNEXIZPD-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](Cc3cccnc3)[C@@H]2C1(C)C ZINC001436448664 1087872214 /nfs/dbraw/zinc/87/22/14/1087872214.db2.gz QSCQYISBAUTVIW-UHOSZYNNSA-N 2 0 344.503 2.139 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001436474316 1087942302 /nfs/dbraw/zinc/94/23/02/1087942302.db2.gz GKNRRMBENGGCRD-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001436686048 1088139765 /nfs/dbraw/zinc/13/97/65/1088139765.db2.gz AUUNUCNVOQVZGJ-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCc2ccccc2)C2CC2)C1 ZINC001436814365 1088403586 /nfs/dbraw/zinc/40/35/86/1088403586.db2.gz ZBUSTCAFQOTJHM-APWZRJJASA-N 2 0 329.488 2.055 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436836002 1088460870 /nfs/dbraw/zinc/46/08/70/1088460870.db2.gz WJDWQTXIJCPXPO-HZPDHXFCSA-N 2 0 336.505 2.002 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001436901973 1088555979 /nfs/dbraw/zinc/55/59/79/1088555979.db2.gz QZIXXJRBKFEZCD-HUYLIWGRSA-N 2 0 343.515 2.369 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001436911422 1088567650 /nfs/dbraw/zinc/56/76/50/1088567650.db2.gz GVGZHTJZRFGLAA-BPNCWPANSA-N 2 0 347.488 2.099 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001437060561 1088962480 /nfs/dbraw/zinc/96/24/80/1088962480.db2.gz WIRAEHMCXQIDKE-KRWDZBQOSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001437160196 1089169025 /nfs/dbraw/zinc/16/90/25/1089169025.db2.gz BMCANKLZRUFZSV-ZDUSSCGKSA-N 2 0 336.480 2.230 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC001437193896 1089239337 /nfs/dbraw/zinc/23/93/37/1089239337.db2.gz APFWMUPJLJVGSF-RYRKJORJSA-N 2 0 347.503 2.328 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1Cl ZINC001437251123 1089377530 /nfs/dbraw/zinc/37/75/30/1089377530.db2.gz YMBNCWUVMKUEEC-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP CC(C)Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001437260890 1089403225 /nfs/dbraw/zinc/40/32/25/1089403225.db2.gz MDRWOCBWUBOOPL-APWZRJJASA-N 2 0 331.504 2.431 10 0 EEAERP COc1cc(C[NH2+]C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001437323157 1089486902 /nfs/dbraw/zinc/48/69/02/1089486902.db2.gz ICJYHMQIHOMSQU-GOSISDBHSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)sn1 ZINC001437330274 1089508835 /nfs/dbraw/zinc/50/88/35/1089508835.db2.gz OOUVQEZZZREXRO-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1cscn1 ZINC001437385429 1089636978 /nfs/dbraw/zinc/63/69/78/1089636978.db2.gz MXVIOWFKCIBYLC-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001437397913 1089657368 /nfs/dbraw/zinc/65/73/68/1089657368.db2.gz CDIIGGJXGNAAAA-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001437463099 1089782475 /nfs/dbraw/zinc/78/24/75/1089782475.db2.gz OBWODFAYSBGHEJ-ZWKOTPCHSA-N 2 0 347.503 2.282 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001437740649 1090300533 /nfs/dbraw/zinc/30/05/33/1090300533.db2.gz IDJVFNSPPTVGGM-OAHLLOKOSA-N 2 0 335.879 2.374 10 0 EEAERP CC(C)(C(=O)NCC[N@H+](CC[C@H]1CCCO1)C1CC1)[NH+]1CCCC1 ZINC001437798412 1090384314 /nfs/dbraw/zinc/38/43/14/1090384314.db2.gz PARMFRRMKUKMJW-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCF)C1)[NH+]1CCCCC1 ZINC001437994338 1090593229 /nfs/dbraw/zinc/59/32/29/1090593229.db2.gz WHDYCOWZEICZGK-DLBZAZTESA-N 2 0 327.488 2.247 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC001438160291 1090674271 /nfs/dbraw/zinc/67/42/71/1090674271.db2.gz ORFMTIGTLDRFNS-INIZCTEOSA-N 2 0 341.499 2.454 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cncc(C)c1 ZINC001438304216 1090782820 /nfs/dbraw/zinc/78/28/20/1090782820.db2.gz MUAPAILFLLDKRS-MSOLQXFVSA-N 2 0 332.492 2.247 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001438310811 1090788927 /nfs/dbraw/zinc/78/89/27/1090788927.db2.gz GWOGHSSCLBMPKB-MAUKXSAKSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1conc1C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438422915 1090918001 /nfs/dbraw/zinc/91/80/01/1090918001.db2.gz WBCDPUMZYPGNJB-DOXZYTNZSA-N 2 0 348.491 2.088 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCc1nc2c(o1)CCCC2 ZINC001445494785 1091272177 /nfs/dbraw/zinc/27/21/77/1091272177.db2.gz BSRQQRAKGZHPDU-GDBMZVCRSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C)sn1 ZINC001438782025 1091380560 /nfs/dbraw/zinc/38/05/60/1091380560.db2.gz YMLIMWDPMCOSCG-CZUORRHYSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001438856543 1091492579 /nfs/dbraw/zinc/49/25/79/1091492579.db2.gz SHQXPWDUCPGFTP-SJORKVTESA-N 2 0 349.523 2.132 10 0 EEAERP CO[C@@H](C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001445773873 1091637678 /nfs/dbraw/zinc/63/76/78/1091637678.db2.gz HKABXCKLNSPKBY-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)NC(=O)C1CC[NH+](C)CC1 ZINC001439147899 1091790161 /nfs/dbraw/zinc/79/01/61/1091790161.db2.gz IYTXXRJQIAXTAS-IAGOWNOFSA-N 2 0 343.515 2.228 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001445902152 1091828742 /nfs/dbraw/zinc/82/87/42/1091828742.db2.gz QYXWGUROVZNAPM-RDJZCZTQSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001439241505 1091890115 /nfs/dbraw/zinc/89/01/15/1091890115.db2.gz HSEDNWVKCPKYCO-HUBLWGQQSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001446017058 1092000928 /nfs/dbraw/zinc/00/09/28/1092000928.db2.gz PCAOAMCZQOXMHF-QZTJIDSGSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439405383 1092164895 /nfs/dbraw/zinc/16/48/95/1092164895.db2.gz GYOMSXMIHZRVOF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001439426274 1092192390 /nfs/dbraw/zinc/19/23/90/1092192390.db2.gz WGKCNINFAHDCCS-RTBURBONSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C2CC2)c1 ZINC001439462894 1092245051 /nfs/dbraw/zinc/24/50/51/1092245051.db2.gz SCVPGCDEZSCPGD-OALUTQOASA-N 2 0 344.503 2.247 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001446335750 1092545374 /nfs/dbraw/zinc/54/53/74/1092545374.db2.gz UTDKKWNYQFHOPT-FUHWJXTLSA-N 2 0 339.499 2.391 10 0 EEAERP Cc1conc1CN1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001439702025 1092657327 /nfs/dbraw/zinc/65/73/27/1092657327.db2.gz AARYVLKXPOJJLM-LJQANCHMSA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439784794 1092741666 /nfs/dbraw/zinc/74/16/66/1092741666.db2.gz UKWFTUZCSAOICK-HUUCEWRRSA-N 2 0 343.462 2.344 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439934779 1093023332 /nfs/dbraw/zinc/02/33/32/1093023332.db2.gz TXKTVHNCPXRWLM-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001439973019 1093089343 /nfs/dbraw/zinc/08/93/43/1093089343.db2.gz HTTBXNDQMZEUIU-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001440113236 1093174541 /nfs/dbraw/zinc/17/45/41/1093174541.db2.gz DDOAWWLJIVYLGJ-WMZOPIPTSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193167 1093259520 /nfs/dbraw/zinc/25/95/20/1093259520.db2.gz ZDGFEPWSBWUFGS-YLJYHZDGSA-N 2 0 347.503 2.033 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1F ZINC001440198067 1093268187 /nfs/dbraw/zinc/26/81/87/1093268187.db2.gz ZVPSBPMNTJZIMN-ZWKOTPCHSA-N 2 0 333.451 2.343 10 0 EEAERP C[N@H+](CCC(F)(F)F)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001448529812 1093564113 /nfs/dbraw/zinc/56/41/13/1093564113.db2.gz RZRZAHXVBNFGNB-HNNXBMFYSA-N 2 0 347.425 2.203 10 0 EEAERP CN(CCC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)[C@H]1CCCC[NH+]1C ZINC001440426932 1093626992 /nfs/dbraw/zinc/62/69/92/1093626992.db2.gz IYXLLICMJXKPMX-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)CC[C@H]2CCC[NH+]2C)on1 ZINC001440432951 1093637613 /nfs/dbraw/zinc/63/76/13/1093637613.db2.gz NQOQLSYJJBAUES-MRXNPFEDSA-N 2 0 336.480 2.138 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ocnc1C ZINC001440457079 1093674236 /nfs/dbraw/zinc/67/42/36/1093674236.db2.gz SQVWUAWCQRRTCG-DLBZAZTESA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001440478123 1093706218 /nfs/dbraw/zinc/70/62/18/1093706218.db2.gz WJYKUJHSBQYHPQ-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001440489556 1093724320 /nfs/dbraw/zinc/72/43/20/1093724320.db2.gz MMKBELJTOSCWKL-IKGGRYGDSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001448663095 1093731142 /nfs/dbraw/zinc/73/11/42/1093731142.db2.gz PXCFZZDMGPVLJE-ZFWWWQNUSA-N 2 0 336.480 2.137 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001448685679 1093750713 /nfs/dbraw/zinc/75/07/13/1093750713.db2.gz RDQRYLICAWCDQV-XJKSGUPXSA-N 2 0 339.430 2.386 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCOC2(CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001440690222 1093942295 /nfs/dbraw/zinc/94/22/95/1093942295.db2.gz RRQWEXGSLTUXMQ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440970694 1094228217 /nfs/dbraw/zinc/22/82/17/1094228217.db2.gz NCBKCJLLCBOSPM-SJORKVTESA-N 2 0 346.519 2.031 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC001441040320 1094335763 /nfs/dbraw/zinc/33/57/63/1094335763.db2.gz HFYSPKJNXDZPGA-IRXDYDNUSA-N 2 0 347.507 2.159 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001441095631 1094395717 /nfs/dbraw/zinc/39/57/17/1094395717.db2.gz FMGKKLDAPDWTED-QZTJIDSGSA-N 2 0 335.467 2.365 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)s1 ZINC001441101882 1094406710 /nfs/dbraw/zinc/40/67/10/1094406710.db2.gz IAUIWPWPKGFOKE-UHFFFAOYSA-N 2 0 338.521 2.312 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2)C1 ZINC001441146557 1094485415 /nfs/dbraw/zinc/48/54/15/1094485415.db2.gz JEGUAGHZYKTSEE-QAPCUYQASA-N 2 0 335.467 2.303 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]Cc1cncs1)C1CC1 ZINC001441194926 1094555025 /nfs/dbraw/zinc/55/50/25/1094555025.db2.gz BBTBXBFQIUTJOI-ZBFHGGJFSA-N 2 0 336.505 2.002 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001441198170 1094558746 /nfs/dbraw/zinc/55/87/46/1094558746.db2.gz FIXBYDAETZOYMQ-ROUUACIJSA-N 2 0 348.466 2.080 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC001441328673 1094787931 /nfs/dbraw/zinc/78/79/31/1094787931.db2.gz ZXTVDHRUEKTSGT-NNZMDNLPSA-N 2 0 347.890 2.230 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001441534945 1095247990 /nfs/dbraw/zinc/24/79/90/1095247990.db2.gz IXXMWTUVMHOLSC-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP COc1ccc(CC[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001441826031 1095872023 /nfs/dbraw/zinc/87/20/23/1095872023.db2.gz UHYUBGMFDJTWQX-APWZRJJASA-N 2 0 347.503 2.157 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001441848100 1095931380 /nfs/dbraw/zinc/93/13/80/1095931380.db2.gz WYFHSAOXTHYSQC-IRXDYDNUSA-N 2 0 343.515 2.370 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cscc1Br ZINC001441928563 1096115962 /nfs/dbraw/zinc/11/59/62/1096115962.db2.gz BMCZJBMGSIYGJA-SNVBAGLBSA-N 2 0 348.310 2.057 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001441939951 1096135364 /nfs/dbraw/zinc/13/53/64/1096135364.db2.gz RWDIYSPIPNVZRQ-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001442002721 1096205888 /nfs/dbraw/zinc/20/58/88/1096205888.db2.gz AGRCLTPCELHXNG-INIZCTEOSA-N 2 0 345.487 2.164 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001442006631 1096208421 /nfs/dbraw/zinc/20/84/21/1096208421.db2.gz HORBUMNWOYCVIW-AEFFLSMTSA-N 2 0 341.499 2.297 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001442182033 1096450862 /nfs/dbraw/zinc/45/08/62/1096450862.db2.gz DQWZAFNYNYGHOQ-CABCVRRESA-N 2 0 336.480 2.267 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001443234320 1097697913 /nfs/dbraw/zinc/69/79/13/1097697913.db2.gz BUCMMOOMEMJNBV-SJORKVTESA-N 2 0 347.507 2.016 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443241329 1097708719 /nfs/dbraw/zinc/70/87/19/1097708719.db2.gz IIJUNZPFKZZBAH-QAPCUYQASA-N 2 0 327.488 2.437 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001443653892 1098151660 /nfs/dbraw/zinc/15/16/60/1098151660.db2.gz QFMPJKIJCDGXRV-NZSAHSFTSA-N 2 0 333.520 2.347 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1ccn(CC)n1 ZINC001444018410 1098535150 /nfs/dbraw/zinc/53/51/50/1098535150.db2.gz JGPKEFPVTQOOMO-KRWDZBQOSA-N 2 0 349.523 2.008 10 0 EEAERP CC[C@@H](C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1)OC ZINC001479501116 1098569094 /nfs/dbraw/zinc/56/90/94/1098569094.db2.gz IRATXWTYCLKJKM-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001444119799 1098653108 /nfs/dbraw/zinc/65/31/08/1098653108.db2.gz AURHOAFBCKSQFC-LPHOPBHVSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1cc(C[NH2+]C[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)on1 ZINC001444126621 1098662623 /nfs/dbraw/zinc/66/26/23/1098662623.db2.gz IJRMJZNSLREXRD-DOXZYTNZSA-N 2 0 348.491 2.088 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cnccc1C ZINC001479775317 1098952445 /nfs/dbraw/zinc/95/24/45/1098952445.db2.gz QKSBIRNONAQIBK-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001444392048 1098984099 /nfs/dbraw/zinc/98/40/99/1098984099.db2.gz VWNOBJDXOBJROB-YVEFUNNKSA-N 2 0 339.430 2.246 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cc(C)no1 ZINC001479858900 1099165649 /nfs/dbraw/zinc/16/56/49/1099165649.db2.gz XIMDOTOCMRYPBK-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001444619265 1099445144 /nfs/dbraw/zinc/44/51/44/1099445144.db2.gz YOPBMPVPYGUXGD-DZGCQCFKSA-N 2 0 331.451 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CCc2cccs2)C2CC2)C1 ZINC001480060746 1099586975 /nfs/dbraw/zinc/58/69/75/1099586975.db2.gz VNSLPNIQEZQJLX-PBHICJAKSA-N 2 0 335.517 2.117 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085922 1099640101 /nfs/dbraw/zinc/64/01/01/1099640101.db2.gz VMICPJPISWBWAC-NVXWUHKLSA-N 2 0 327.488 2.247 10 0 EEAERP Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001480258889 1099931940 /nfs/dbraw/zinc/93/19/40/1099931940.db2.gz WWBIOQQZHUVQOL-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480263618 1099949719 /nfs/dbraw/zinc/94/97/19/1099949719.db2.gz QIQUYDNXBZRCNM-SJLPKXTDSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001480286715 1099994450 /nfs/dbraw/zinc/99/44/50/1099994450.db2.gz UCBMUBZYXQABLH-BJYXUANLSA-N 2 0 327.900 2.442 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001480318903 1100056963 /nfs/dbraw/zinc/05/69/63/1100056963.db2.gz GHELBZLOYJTSDA-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ocnc2C)C1 ZINC001480386033 1100184421 /nfs/dbraw/zinc/18/44/21/1100184421.db2.gz JHAOQQGZFFLMDM-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCC([NH2+]CCOCC)CC2)C1 ZINC001480406653 1100221412 /nfs/dbraw/zinc/22/14/12/1100221412.db2.gz FHGPWDKANWQFRA-AOCRQIFASA-N 2 0 339.524 2.162 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001445114877 1100357626 /nfs/dbraw/zinc/35/76/26/1100357626.db2.gz OWTHAOXUFVFUCC-DOTOQJQBSA-N 2 0 336.480 2.006 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001445361602 1100598207 /nfs/dbraw/zinc/59/82/07/1100598207.db2.gz RELGYOSNMKKRQY-SJLPKXTDSA-N 2 0 347.503 2.471 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc(F)ccc1F ZINC001495148313 1100819820 /nfs/dbraw/zinc/81/98/20/1100819820.db2.gz ZZLVAXOMNDABTN-HNNXBMFYSA-N 2 0 327.419 2.289 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1CC[NH2+]C/C=C/Cl ZINC001496397714 1100990525 /nfs/dbraw/zinc/99/05/25/1100990525.db2.gz ZNTUDVJHTSKRSH-ZPDKFOGYSA-N 2 0 339.911 2.442 10 0 EEAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001446553988 1101028010 /nfs/dbraw/zinc/02/80/10/1101028010.db2.gz CYPVSFAQJZKBNR-RDJZCZTQSA-N 2 0 343.462 2.488 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)o1 ZINC001495322896 1101029190 /nfs/dbraw/zinc/02/91/90/1101029190.db2.gz ZZTYRTHGHSVYBC-KDOFPFPSSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)cs1 ZINC001446599722 1101094105 /nfs/dbraw/zinc/09/41/05/1101094105.db2.gz DLNAXQVRVADMSZ-GOSISDBHSA-N 2 0 335.517 2.481 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC001495432444 1101150326 /nfs/dbraw/zinc/15/03/26/1101150326.db2.gz IXYSTJJOHQPWNZ-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2cncs2)CC1 ZINC001446667129 1101196621 /nfs/dbraw/zinc/19/66/21/1101196621.db2.gz ZFTBQFGSQBHCLE-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001495665068 1101406309 /nfs/dbraw/zinc/40/63/09/1101406309.db2.gz JWJZIKUQZGZIPS-UZLBHIALSA-N 2 0 343.515 2.487 10 0 EEAERP Cc1ccc(C[NH+](C)CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001496770196 1101437268 /nfs/dbraw/zinc/43/72/68/1101437268.db2.gz QCLYQWKPBLGPFR-WMZOPIPTSA-N 2 0 346.519 2.319 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]Cc1c(F)cccc1F ZINC001495743186 1101515457 /nfs/dbraw/zinc/51/54/57/1101515457.db2.gz NCWCCFGHBRPCGZ-ZIAGYGMSSA-N 2 0 339.430 2.149 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001496905443 1101698840 /nfs/dbraw/zinc/69/88/40/1101698840.db2.gz QBICRLZWYIYZEJ-DYVFJYSZSA-N 2 0 339.430 2.291 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001446984186 1101702702 /nfs/dbraw/zinc/70/27/02/1101702702.db2.gz BZYRSWQRYXRFJW-WSTZPKSXSA-N 2 0 341.499 2.406 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ocnc1C ZINC001447041519 1101828909 /nfs/dbraw/zinc/82/89/09/1101828909.db2.gz MPWUYPBVQYOREK-SJORKVTESA-N 2 0 348.491 2.280 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2coc(C)n2)CC1 ZINC001447109532 1102004779 /nfs/dbraw/zinc/00/47/79/1102004779.db2.gz YPJAOPPFEJZAGF-WKILWMFISA-N 2 0 336.480 2.089 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497252626 1102195710 /nfs/dbraw/zinc/19/57/10/1102195710.db2.gz AGXQVQHMFCETGO-LNLFQRSKSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497306923 1102289781 /nfs/dbraw/zinc/28/97/81/1102289781.db2.gz CHVXAWAIOQCOFD-ZIAGYGMSSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CCC2)o1 ZINC001447271052 1102352272 /nfs/dbraw/zinc/35/22/72/1102352272.db2.gz XKFRGAAMVQINBA-JKSUJKDBSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1COC2(C[NH+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001447391580 1102580278 /nfs/dbraw/zinc/58/02/78/1102580278.db2.gz ZHRYGSWDGOFILP-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)O2 ZINC001447395022 1102586487 /nfs/dbraw/zinc/58/64/87/1102586487.db2.gz FGIANTSQCAEUBN-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnc(C)s1 ZINC001497762251 1103054876 /nfs/dbraw/zinc/05/48/76/1103054876.db2.gz GGAISJNWSYVUPX-KJPDOMRESA-N 2 0 336.505 2.088 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497797892 1103123716 /nfs/dbraw/zinc/12/37/16/1103123716.db2.gz MKBRAOLBAGIHQZ-PBHICJAKSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1ncc(C[NH+]2CC[C@@H](CCNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001494018933 1103357296 /nfs/dbraw/zinc/35/72/96/1103357296.db2.gz CPONTBVVQVODKJ-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NCC1C[NH+](CC[C@@H](C)F)C1)c1ccccc1 ZINC001494616263 1104201180 /nfs/dbraw/zinc/20/11/80/1104201180.db2.gz HJVRRYKCVHIDFQ-CRAIPNDOSA-N 2 0 335.467 2.476 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3ccns3)CCCCC2)C1 ZINC001448236614 1104225666 /nfs/dbraw/zinc/22/56/66/1104225666.db2.gz ORQIMZIGAUQXRB-AWEZNQCLSA-N 2 0 336.505 2.004 10 0 EEAERP CO[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001448319220 1104382436 /nfs/dbraw/zinc/38/24/36/1104382436.db2.gz ZQEBEYUFQXAXHB-LSDHHAIUSA-N 2 0 339.524 2.111 10 0 EEAERP Cc1ncccc1C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001448331889 1104408007 /nfs/dbraw/zinc/40/80/07/1104408007.db2.gz JAWJNMNLZYBRJX-MRXNPFEDSA-N 2 0 344.503 2.201 10 0 EEAERP Cc1cc(C[NH+]2CC([C@H](C)NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001448342578 1104431624 /nfs/dbraw/zinc/43/16/24/1104431624.db2.gz OCDXMRIFDAEWAZ-GJZGRUSLSA-N 2 0 335.517 2.335 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC001494985983 1104630536 /nfs/dbraw/zinc/63/05/36/1104630536.db2.gz CMJHSIWIOIVGNI-LSDHHAIUSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1oc(C)nc1C ZINC001495005641 1104649425 /nfs/dbraw/zinc/64/94/25/1104649425.db2.gz YHMNNYNKBCOCKU-INIZCTEOSA-N 2 0 348.491 2.152 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001495058304 1104695583 /nfs/dbraw/zinc/69/55/83/1104695583.db2.gz NSRNLXTUACHTFB-CRAIPNDOSA-N 2 0 349.523 2.099 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001495068393 1104707270 /nfs/dbraw/zinc/70/72/70/1104707270.db2.gz CHJKLBOJZGWWBB-IAGOWNOFSA-N 2 0 332.492 2.331 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001480624295 1106786746 /nfs/dbraw/zinc/78/67/46/1106786746.db2.gz FQEOTRUVUULKGP-OALUTQOASA-N 2 0 329.488 2.070 10 0 EEAERP C[C@@H](C[NH2+]CCCc1c(F)cccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498023503 1106795110 /nfs/dbraw/zinc/79/51/10/1106795110.db2.gz MHRHBFPIQPTEJL-SUMWQHHRSA-N 2 0 339.430 2.086 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001480652923 1106823381 /nfs/dbraw/zinc/82/33/81/1106823381.db2.gz KJQUTXDSISZOAF-ATEGUMQPSA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)no2)C1)[NH+](CC)CC ZINC001480664253 1106843258 /nfs/dbraw/zinc/84/32/58/1106843258.db2.gz XAJLIUSRFSPYOM-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053238 1106845298 /nfs/dbraw/zinc/84/52/98/1106845298.db2.gz JIIIHZUYVQIESW-KBXCAEBGSA-N 2 0 348.491 2.238 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1F ZINC001480803207 1107144313 /nfs/dbraw/zinc/14/43/13/1107144313.db2.gz HKFDWYWBOHVESD-NVXWUHKLSA-N 2 0 335.467 2.460 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001493123322 1107541161 /nfs/dbraw/zinc/54/11/61/1107541161.db2.gz YOHHPLSSFOPUHO-NVXWUHKLSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c(C)o1 ZINC001498626073 1107834461 /nfs/dbraw/zinc/83/44/61/1107834461.db2.gz PJLGGMYGMKWHRA-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H](C)c1cnccn1 ZINC001493291971 1107868629 /nfs/dbraw/zinc/86/86/29/1107868629.db2.gz VYIXCNOHSKIZPS-SOLBZPMBSA-N 2 0 347.507 2.096 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2ncccc2C)C2CC2)CC[N@@H+]1C ZINC001498757398 1108037543 /nfs/dbraw/zinc/03/75/43/1108037543.db2.gz ASCHDDWIVLWHEV-QXAKKESOSA-N 2 0 344.503 2.105 10 0 EEAERP O=C(NCCN(Cc1cccnc1)C1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493430820 1108144341 /nfs/dbraw/zinc/14/43/41/1108144341.db2.gz VIIHOVMPNCBXOH-OALUTQOASA-N 2 0 342.487 2.179 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(OC)c1 ZINC001498899392 1108298111 /nfs/dbraw/zinc/29/81/11/1108298111.db2.gz TXSYENICCXKCKE-HKUYNNGSSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1cccc(C[NH2+]CCN(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001493626449 1108424834 /nfs/dbraw/zinc/42/48/34/1108424834.db2.gz LFQCRTMCAIEXFO-UHFFFAOYSA-N 2 0 349.438 2.438 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CCc1ccccc1 ZINC001498996695 1108433526 /nfs/dbraw/zinc/43/35/26/1108433526.db2.gz BHFJDWMLJFQBFJ-RBUKOAKNSA-N 2 0 329.488 2.294 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001493805926 1108685786 /nfs/dbraw/zinc/68/57/86/1108685786.db2.gz BGSSJZHYILPHQM-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001493837722 1108721343 /nfs/dbraw/zinc/72/13/43/1108721343.db2.gz XKGNFDSOMTXTGH-INIZCTEOSA-N 2 0 349.523 2.132 10 0 EEAERP COC(=O)CCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001459447242 1110184037 /nfs/dbraw/zinc/18/40/37/1110184037.db2.gz MQEQZJHRVZIRAD-UHFFFAOYSA-N 2 0 347.503 2.079 10 0 EEAERP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)CC[NH+](C)C)c1 ZINC001466880294 1110445792 /nfs/dbraw/zinc/44/57/92/1110445792.db2.gz GHTVNQQZZUNMIR-MRXNPFEDSA-N 2 0 335.492 2.173 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001470382350 1110505579 /nfs/dbraw/zinc/50/55/79/1110505579.db2.gz HJYYLCQOZFZRKQ-DLBZAZTESA-N 2 0 347.507 2.422 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@@H]3CCCC3(F)F)CC2)CC1 ZINC001499338980 1112239917 /nfs/dbraw/zinc/23/99/17/1112239917.db2.gz DZXSRQVRBPRQFE-HNNXBMFYSA-N 2 0 343.462 2.392 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCCF)C1 ZINC001499482685 1112314796 /nfs/dbraw/zinc/31/47/96/1112314796.db2.gz XFEAYAWFZSJLRJ-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001499577454 1112383872 /nfs/dbraw/zinc/38/38/72/1112383872.db2.gz VXILCKVNDMXOCB-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCc2ccccc2)C1 ZINC001499941989 1112549399 /nfs/dbraw/zinc/54/93/99/1112549399.db2.gz PEKCCLREUIVWNJ-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CCCC2)o1 ZINC001500088669 1112612500 /nfs/dbraw/zinc/61/25/00/1112612500.db2.gz NTXWMUSDTZCEBC-FSPWUOQZSA-N 2 0 348.491 2.088 10 0 EEAERP CCOCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500243009 1112699168 /nfs/dbraw/zinc/69/91/68/1112699168.db2.gz ISAVQQKIQYNCLO-IBGZPJMESA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(C)(CNC(=O)CCc2c[nH]cn2)CC1 ZINC001500428660 1112824807 /nfs/dbraw/zinc/82/48/07/1112824807.db2.gz NFQRBBUMPIECOD-UHFFFAOYSA-N 2 0 345.447 2.057 10 0 EEAERP CC(C)(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001500620398 1112982176 /nfs/dbraw/zinc/98/21/76/1112982176.db2.gz MEWKBKXVMZJLSU-AWEZNQCLSA-N 2 0 342.434 2.393 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3ccccn3)C2)CC[N@@H+]1C ZINC001501568123 1113385763 /nfs/dbraw/zinc/38/57/63/1113385763.db2.gz HVZUJZXFNVPWJT-NZSAHSFTSA-N 2 0 344.503 2.140 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502053175 1113570984 /nfs/dbraw/zinc/57/09/84/1113570984.db2.gz HRFGRAOZJOKBNM-QGZVFWFLSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001502059648 1113573210 /nfs/dbraw/zinc/57/32/10/1113573210.db2.gz CQIAURAIWBHCFL-IRXDYDNUSA-N 2 0 341.540 2.216 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001502126469 1113604096 /nfs/dbraw/zinc/60/40/96/1113604096.db2.gz ZFACQGXWCOMNNJ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001503736548 1113904249 /nfs/dbraw/zinc/90/42/49/1113904249.db2.gz WUCFFCOHMZTQLA-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001505501953 1114026204 /nfs/dbraw/zinc/02/62/04/1114026204.db2.gz QZERXTRHYWAUIC-OFLPRAFFSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001505501952 1114026364 /nfs/dbraw/zinc/02/63/64/1114026364.db2.gz QZERXTRHYWAUIC-JCYILVPMSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001505621317 1114090505 /nfs/dbraw/zinc/09/05/05/1114090505.db2.gz FYYKPVIVSZNIMM-OLZOCXBDSA-N 2 0 339.430 2.432 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)ccc1C ZINC001505678148 1114126305 /nfs/dbraw/zinc/12/63/05/1114126305.db2.gz LOUVGDCUSDZDEF-HOTGVXAUSA-N 2 0 347.503 2.328 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505704926 1114141712 /nfs/dbraw/zinc/14/17/12/1114141712.db2.gz CKKJGWPFPXQPND-KGLIPLIRSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccccn2)CC1 ZINC001505725780 1114153677 /nfs/dbraw/zinc/15/36/77/1114153677.db2.gz XMHDXBOMCWBSLS-HOTGVXAUSA-N 2 0 332.492 2.185 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCCc1ccsc1 ZINC001506001438 1114333356 /nfs/dbraw/zinc/33/33/56/1114333356.db2.gz ASIKNQVQHASXJC-HOTGVXAUSA-N 2 0 337.533 2.459 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506001661 1114333591 /nfs/dbraw/zinc/33/35/91/1114333591.db2.gz FWHDXCNJUYIBFC-IRXDYDNUSA-N 2 0 343.515 2.454 10 0 EEAERP C[N@H+](CCCF)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001506964985 1115014134 /nfs/dbraw/zinc/01/41/34/1115014134.db2.gz VVRIXUXKRXWDSS-SJORKVTESA-N 2 0 325.472 2.286 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCOc1ccccc1 ZINC001507080651 1115097593 /nfs/dbraw/zinc/09/75/93/1115097593.db2.gz ZYUHJVQAAZQWQL-YQVWRLOYSA-N 2 0 347.503 2.232 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001507093337 1115104440 /nfs/dbraw/zinc/10/44/40/1115104440.db2.gz VGAIQSMJRHFWBZ-GFCCVEGCSA-N 2 0 341.415 2.189 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1 ZINC001507128452 1115123369 /nfs/dbraw/zinc/12/33/69/1115123369.db2.gz BTOZFHPGAPDNQB-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001507425708 1115262161 /nfs/dbraw/zinc/26/21/61/1115262161.db2.gz CYNZFLNCORDNDG-CVEARBPZSA-N 2 0 335.517 2.261 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001508186214 1115436716 /nfs/dbraw/zinc/43/67/16/1115436716.db2.gz BEEYZGHUWYOYDK-HKUYNNGSSA-N 2 0 347.503 2.072 10 0 EEAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ncccc2C)CC1 ZINC001508228004 1115453542 /nfs/dbraw/zinc/45/35/42/1115453542.db2.gz BLJFZOAUWBDJIB-UHFFFAOYSA-N 2 0 344.503 2.370 10 0 EEAERP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001540001791 1124071795 /nfs/dbraw/zinc/07/17/95/1124071795.db2.gz VDOSEFXEQGTUAS-HNNXBMFYSA-N 2 0 330.476 2.027 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567990128 1124218293 /nfs/dbraw/zinc/21/82/93/1124218293.db2.gz AKKUONNERHQXFO-CQSZACIVSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001568193357 1124348599 /nfs/dbraw/zinc/34/85/99/1124348599.db2.gz BBZGWWWVMOAMRC-ZWKOTPCHSA-N 2 0 331.504 2.221 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CCCCC2)C1 ZINC001568348557 1124430863 /nfs/dbraw/zinc/43/08/63/1124430863.db2.gz HNHXCMCMMDKZJM-NJEVBOHQSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001568393766 1124463504 /nfs/dbraw/zinc/46/35/04/1124463504.db2.gz RXPFEXKVHIVOLF-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1)[NH+](C)C ZINC001568393695 1124463603 /nfs/dbraw/zinc/46/36/03/1124463603.db2.gz QTPNXBLULPMZCM-MSOLQXFVSA-N 2 0 332.492 2.283 10 0 EEAERP CN(CC[N@H+](C)CCCCc1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001568476478 1124535385 /nfs/dbraw/zinc/53/53/85/1124535385.db2.gz BBQRQQIMCZGMQI-IBGZPJMESA-N 2 0 331.504 2.494 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001568630390 1124644784 /nfs/dbraw/zinc/64/47/84/1124644784.db2.gz BMNKLMSFEYKMBB-YOEHRIQHSA-N 2 0 348.491 2.409 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(C)s1 ZINC001568640503 1124654034 /nfs/dbraw/zinc/65/40/34/1124654034.db2.gz MIKGIFITPFLUHV-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001568672665 1124685903 /nfs/dbraw/zinc/68/59/03/1124685903.db2.gz QEANDUIWPWYUMP-NSHDSACASA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568678727 1124690070 /nfs/dbraw/zinc/69/00/70/1124690070.db2.gz XLCSXLGOARWAHT-ZDUSSCGKSA-N 2 0 333.467 2.494 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC001568684563 1124695487 /nfs/dbraw/zinc/69/54/87/1124695487.db2.gz GCGORLKYBXHAQB-GOEBONIOSA-N 2 0 336.480 2.232 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568710219 1124726770 /nfs/dbraw/zinc/72/67/70/1124726770.db2.gz JWPOFYXWVNCQNE-APWZRJJASA-N 2 0 331.504 2.228 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001568713537 1124730888 /nfs/dbraw/zinc/73/08/88/1124730888.db2.gz HEIXSSBALXPPNI-ZBFHGGJFSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001568713756 1124731715 /nfs/dbraw/zinc/73/17/15/1124731715.db2.gz JGVPLKQDFMDGMM-LBPRGKRZSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001568852540 1124871878 /nfs/dbraw/zinc/87/18/78/1124871878.db2.gz WRZGJOALPUNKQO-CFUPXEQDSA-N 2 0 337.414 2.067 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001569167703 1125141753 /nfs/dbraw/zinc/14/17/53/1125141753.db2.gz DQHUPQICLPPKQY-ZWKOTPCHSA-N 2 0 339.524 2.019 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC001569204379 1125162433 /nfs/dbraw/zinc/16/24/33/1125162433.db2.gz LXRLUYQGLGXYBU-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC001569268649 1125207758 /nfs/dbraw/zinc/20/77/58/1125207758.db2.gz HVCMMIXRFZNJAB-GJZGRUSLSA-N 2 0 336.480 2.048 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000248132037 282184764 /nfs/dbraw/zinc/18/47/64/282184764.db2.gz WQKMFPKSWAKMAJ-FGTMMUONSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416189557 239109751 /nfs/dbraw/zinc/10/97/51/239109751.db2.gz JSGHMVFRVOJASZ-DNVCBOLYSA-N 2 0 327.472 2.034 10 0 EEAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422779225 240220309 /nfs/dbraw/zinc/22/03/09/240220309.db2.gz FLIGHXIHKMLUSP-WOJBJXKFSA-N 2 0 329.488 2.139 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423024567 240332306 /nfs/dbraw/zinc/33/23/06/240332306.db2.gz MBRWQHJJKMXZIE-JQFCIGGWSA-N 2 0 327.419 2.054 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)CN(Cc2ccccc2)C1 ZINC000425355711 241138542 /nfs/dbraw/zinc/13/85/42/241138542.db2.gz PBCUJIRHHRSJJM-QRQLOZEOSA-N 2 0 329.488 2.355 10 0 EEAERP CS[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1[NH+](C)C ZINC000426995010 241362432 /nfs/dbraw/zinc/36/24/32/241362432.db2.gz LVRAJCZMSCDGQI-LSDHHAIUSA-N 2 0 327.538 2.003 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccnc(-c3ccccc3)n2)CC1 ZINC000069347503 202988051 /nfs/dbraw/zinc/98/80/51/202988051.db2.gz BNWIZAUERQGBFV-MRXNPFEDSA-N 2 0 340.471 2.326 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000073722680 203272053 /nfs/dbraw/zinc/27/20/53/203272053.db2.gz AGWCJIUJNPDWRW-IRXDYDNUSA-N 2 0 326.529 2.336 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000494762053 247020517 /nfs/dbraw/zinc/02/05/17/247020517.db2.gz GHIILMFIBGHSMJ-KKXNLOMOSA-N 2 0 331.504 2.350 10 0 EEAERP COc1cc2[nH+]ccc(N3C[C@H](C)[N@H+](CCO)C[C@H]3C)c2cc1OC ZINC000418991582 533179268 /nfs/dbraw/zinc/17/92/68/533179268.db2.gz FBUVYKNDYOFXQU-UONOGXRCSA-N 2 0 345.443 2.143 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C(C)C ZINC000465975772 285244202 /nfs/dbraw/zinc/24/42/02/285244202.db2.gz BZJGXHURXJVJOA-DLBZAZTESA-N 2 0 326.529 2.336 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024566 285373983 /nfs/dbraw/zinc/37/39/83/285373983.db2.gz MBRWQHJJKMXZIE-IAOVAPTHSA-N 2 0 327.419 2.054 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000057825510 292147268 /nfs/dbraw/zinc/14/72/68/292147268.db2.gz DNTXGFJDLUTEDN-RTBURBONSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000119018430 292240233 /nfs/dbraw/zinc/24/02/33/292240233.db2.gz ZGFYCEPLOJZJNJ-IKJBURDNSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1nccn1CCCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120849369 292258365 /nfs/dbraw/zinc/25/83/65/292258365.db2.gz IZKQWTNCRQEJKL-UHFFFAOYSA-N 2 0 335.496 2.391 10 0 EEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680031 152305892 /nfs/dbraw/zinc/30/58/92/152305892.db2.gz WIOUDNULMKBHQM-RHSMWYFYSA-N 2 0 348.491 2.070 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352276874 153035932 /nfs/dbraw/zinc/03/59/32/153035932.db2.gz YJSJOTWDNWFYLQ-UHFFFAOYSA-N 2 0 345.553 2.045 10 0 EEAERP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000377252158 154106044 /nfs/dbraw/zinc/10/60/44/154106044.db2.gz BLZJXIHTKQXRFR-QAPCUYQASA-N 2 0 330.476 2.167 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105148666 159297268 /nfs/dbraw/zinc/29/72/68/159297268.db2.gz AUVBZGWZBKDFFS-SJORKVTESA-N 2 0 326.529 2.382 10 0 EEAERP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000105862417 159309603 /nfs/dbraw/zinc/30/96/03/159309603.db2.gz IXYBOABKZNNWFZ-SJORKVTESA-N 2 0 341.540 2.045 10 0 EEAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)N[C@H]3CCCc4ccccc43)C[C@@H]2C1 ZINC000193609138 160184045 /nfs/dbraw/zinc/18/40/45/160184045.db2.gz FSIMUSJKTQKHKM-SCTDSRPQSA-N 2 0 327.472 2.064 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194077191 160190258 /nfs/dbraw/zinc/19/02/58/160190258.db2.gz GQXGUDMJJYCMDD-OALUTQOASA-N 2 0 344.503 2.292 10 0 EEAERP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000246990707 160304920 /nfs/dbraw/zinc/30/49/20/160304920.db2.gz AXRKHMDSALCAHT-HZPDHXFCSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000247073178 160308666 /nfs/dbraw/zinc/30/86/66/160308666.db2.gz GQNRJQWYTSSGJM-IRXDYDNUSA-N 2 0 347.507 2.362 10 0 EEAERP C[NH+](C)CCCCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000342387821 161061687 /nfs/dbraw/zinc/06/16/87/161061687.db2.gz ZTPGFXOEOQDDJZ-UHFFFAOYSA-N 2 0 346.519 2.047 10 0 EEAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555842 161146372 /nfs/dbraw/zinc/14/63/72/161146372.db2.gz FZXRXSYGZJHFRY-FPOVZHCZSA-N 2 0 344.547 2.124 10 0 EEAERP CCCN(CCC[NH+](C)C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000344935787 161257446 /nfs/dbraw/zinc/25/74/46/161257446.db2.gz QSPSHLYQYJVOTK-UHFFFAOYSA-N 2 0 326.529 2.482 10 0 EEAERP CC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000352523103 162171601 /nfs/dbraw/zinc/17/16/01/162171601.db2.gz QYVIWKXVOSFDOK-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000352736043 162265928 /nfs/dbraw/zinc/26/59/28/162265928.db2.gz QRRJQDGZDVCFDW-MRXNPFEDSA-N 2 0 326.444 2.050 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453266201 287032662 /nfs/dbraw/zinc/03/26/62/287032662.db2.gz OBCQKEFZWDBESS-MJGOQNOKSA-N 2 0 349.519 2.124 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000359004416 164033928 /nfs/dbraw/zinc/03/39/28/164033928.db2.gz PKVUNXYEUOFXJC-GOSISDBHSA-N 2 0 328.460 2.418 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1cccnc1 ZINC000359929011 164198662 /nfs/dbraw/zinc/19/86/62/164198662.db2.gz CGAUVKYHOLSCOR-HKUYNNGSSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000369516934 166277036 /nfs/dbraw/zinc/27/70/36/166277036.db2.gz LPJFXGXCHJYVBA-LJQANCHMSA-N 2 0 333.524 2.363 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000375303487 167107593 /nfs/dbraw/zinc/10/75/93/167107593.db2.gz QXDKXDBXIKFHLU-GOSISDBHSA-N 2 0 345.535 2.376 10 0 EEAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[NH+](C)C ZINC000288275904 275041706 /nfs/dbraw/zinc/04/17/06/275041706.db2.gz HCHJCQLFYXMMHI-IAGOWNOFSA-N 2 0 345.487 2.326 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000115844988 276771177 /nfs/dbraw/zinc/77/11/77/276771177.db2.gz RTPGWYIMERZCBY-KRWDZBQOSA-N 2 0 348.466 2.267 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297265669 294196961 /nfs/dbraw/zinc/19/69/61/294196961.db2.gz PKSIZLHWLRWWHI-CABCVRRESA-N 2 0 329.448 2.254 10 0 EEAERP COc1ccccc1C[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061955 295364925 /nfs/dbraw/zinc/36/49/25/295364925.db2.gz ZKBPLGSRGYQGBQ-IVMQYODDSA-N 2 0 331.504 2.432 10 0 EEAERP CCC[C@@]1([NH2+]CC2(C[NH2+][C@@]3(CCC)CCOC3)COC2)CCOC1 ZINC000352822851 312387213 /nfs/dbraw/zinc/38/72/13/312387213.db2.gz HOMHRHCIGOPSAF-KDURUIRLSA-N 2 0 340.508 2.101 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414900433 313110014 /nfs/dbraw/zinc/11/00/14/313110014.db2.gz DJZXOZCTDNFFOW-LJQANCHMSA-N 2 0 330.520 2.450 10 0 EEAERP C[N@H+](CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416879015 313346152 /nfs/dbraw/zinc/34/61/52/313346152.db2.gz WTBXKFHSYFEBHM-FQEVSTJZSA-N 2 0 344.503 2.294 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccn2)nc1 ZINC000425413868 314389125 /nfs/dbraw/zinc/38/91/25/314389125.db2.gz CAYBHNYZEZSJEA-UHFFFAOYSA-N 2 0 339.487 2.213 10 0 EEAERP CN(CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cc[nH+]cc1 ZINC000541857381 318112716 /nfs/dbraw/zinc/11/27/16/318112716.db2.gz LEGDAMHFJVKIMP-GOSISDBHSA-N 2 0 330.476 2.385 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000544349085 318185901 /nfs/dbraw/zinc/18/59/01/318185901.db2.gz PWXHZRNRYHELSN-INIZCTEOSA-N 2 0 336.443 2.374 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)ccc21 ZINC000557191663 318674010 /nfs/dbraw/zinc/67/40/10/318674010.db2.gz RCCFZEDXLIMRQD-HXUWFJFHSA-N 2 0 340.471 2.206 10 0 EEAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000563171367 318979684 /nfs/dbraw/zinc/97/96/84/318979684.db2.gz ZYMUCZSLSSDRKA-UVCRSUBNSA-N 2 0 331.504 2.177 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000563559243 319023305 /nfs/dbraw/zinc/02/33/05/319023305.db2.gz OLIBHNLETLIBEU-QAPCUYQASA-N 2 0 330.476 2.080 10 0 EEAERP CCN(CCN1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000566304133 319272618 /nfs/dbraw/zinc/27/26/18/319272618.db2.gz QSFUBINFQBTLKF-ICSRJNTNSA-N 2 0 330.520 2.049 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)c2ccccc2CC[NH3+])c1 ZINC000566405764 319282155 /nfs/dbraw/zinc/28/21/55/319282155.db2.gz DJHFZQVIJRAIOH-UHFFFAOYSA-N 2 0 341.455 2.058 10 0 EEAERP OC[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@H]1CCOC1 ZINC000567109932 319349457 /nfs/dbraw/zinc/34/94/57/319349457.db2.gz IVQBWMVWAIDZAT-UFYCRDLUSA-N 2 0 344.499 2.418 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000570617784 319681403 /nfs/dbraw/zinc/68/14/03/319681403.db2.gz WBUKTKQOVJMQTP-YJBOKZPZSA-N 2 0 330.476 2.222 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000576373120 320166770 /nfs/dbraw/zinc/16/67/70/320166770.db2.gz DWLITPUVOQNQGN-LJQANCHMSA-N 2 0 336.524 2.284 10 0 EEAERP C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000579931555 323958524 /nfs/dbraw/zinc/95/85/24/323958524.db2.gz OUUNSYZVKOTVEU-OAHLLOKOSA-N 2 0 329.488 2.428 10 0 EEAERP C[C@]1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC[NH2+]C1 ZINC000581418384 324248815 /nfs/dbraw/zinc/24/88/15/324248815.db2.gz DHBZKDYDZUOZIS-FQEVSTJZSA-N 2 0 344.503 2.471 10 0 EEAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000355355194 465244352 /nfs/dbraw/zinc/24/43/52/465244352.db2.gz TWYWONXIHWVLSH-ZLPCBKJTSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000063749494 462669006 /nfs/dbraw/zinc/66/90/06/462669006.db2.gz YFMXFZHKYYQHLV-DLBZAZTESA-N 2 0 347.503 2.477 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000047884692 462832327 /nfs/dbraw/zinc/83/23/27/462832327.db2.gz LBTLTKDBPPRRJX-GOSISDBHSA-N 2 0 332.492 2.461 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964845 462843045 /nfs/dbraw/zinc/84/30/45/462843045.db2.gz UDSOXEBQRDXSJS-AEFFLSMTSA-N 2 0 332.492 2.290 10 0 EEAERP C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000132719489 462873941 /nfs/dbraw/zinc/87/39/41/462873941.db2.gz RWMWSDJXNHUVKX-PKOBYXMFSA-N 2 0 329.488 2.104 10 0 EEAERP Cc1cc(N2CC[NH+](CCO)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077165145 462944699 /nfs/dbraw/zinc/94/46/99/462944699.db2.gz SKOWCHGNCYUVRU-UHFFFAOYSA-N 2 0 337.370 2.259 10 0 EEAERP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876046 463484590 /nfs/dbraw/zinc/48/45/90/463484590.db2.gz GWFOSDDRFXZSRJ-MRXNPFEDSA-N 2 0 332.492 2.466 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261713534 463836304 /nfs/dbraw/zinc/83/63/04/463836304.db2.gz MSHAWANEXVCWSW-LJQANCHMSA-N 2 0 334.427 2.117 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000261864804 463882266 /nfs/dbraw/zinc/88/22/66/463882266.db2.gz RQUCRWIKPCHKFD-CGTJXYLNSA-N 2 0 330.476 2.070 10 0 EEAERP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)nc21 ZINC000261875721 463885407 /nfs/dbraw/zinc/88/54/07/463885407.db2.gz DPZGVVXWCZXSKJ-OAGGEKHMSA-N 2 0 329.444 2.425 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000171898029 463945478 /nfs/dbraw/zinc/94/54/78/463945478.db2.gz PVHLCBUVRUJXRF-MOPGFXCFSA-N 2 0 344.503 2.341 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174221783 464379171 /nfs/dbraw/zinc/37/91/71/464379171.db2.gz NDLKCVCKOLXLKE-SFHVURJKSA-N 2 0 336.524 2.236 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246489934 464591705 /nfs/dbraw/zinc/59/17/05/464591705.db2.gz RQGJJWCWCOTGAT-MLHJIOFPSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000247500529 464687026 /nfs/dbraw/zinc/68/70/26/464687026.db2.gz UZRNFZZPOYIKCX-NEWSRXKRSA-N 2 0 344.503 2.037 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176498557 464787312 /nfs/dbraw/zinc/78/73/12/464787312.db2.gz GARJUDGKTOATSI-IBGZPJMESA-N 2 0 346.519 2.439 10 0 EEAERP CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000347954599 465332083 /nfs/dbraw/zinc/33/20/83/465332083.db2.gz SHLOVEKXCZPJET-IBGZPJMESA-N 2 0 327.472 2.449 10 0 EEAERP Cc1nc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(N(C)C)n1 ZINC000343759294 465550731 /nfs/dbraw/zinc/55/07/31/465550731.db2.gz HPRSRMWTRVPBSG-CJNGLKHVSA-N 2 0 328.464 2.658 10 0 EEAERP C[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000348938057 465882847 /nfs/dbraw/zinc/88/28/47/465882847.db2.gz BWEMEALRFXASCW-KRWDZBQOSA-N 2 0 329.488 2.283 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371592276 465892035 /nfs/dbraw/zinc/89/20/35/465892035.db2.gz JPLKEYCBTVEEEW-QGZVFWFLSA-N 2 0 345.487 2.327 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C2CCN(CCCC(=O)OC)CC2)CC1 ZINC000361459991 466016391 /nfs/dbraw/zinc/01/63/91/466016391.db2.gz PFWSEYOEWCNWAR-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367612801 466447559 /nfs/dbraw/zinc/44/75/59/466447559.db2.gz BBECGVUOGKRHNO-KSZLIROESA-N 2 0 336.501 2.443 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000354368298 466512449 /nfs/dbraw/zinc/51/24/49/466512449.db2.gz UODGTROIYRNENJ-GOSISDBHSA-N 2 0 341.499 2.379 10 0 EEAERP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000354528824 466630829 /nfs/dbraw/zinc/63/08/29/466630829.db2.gz DUAMXMIPFDIJBR-FCCDEINASA-N 2 0 336.524 2.375 10 0 EEAERP CC1(C)OC[C@H](C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)O1 ZINC000408521988 466677017 /nfs/dbraw/zinc/67/70/17/466677017.db2.gz BJLZHTDIEVSNSN-CVEARBPZSA-N 2 0 347.459 2.286 10 0 EEAERP COc1cccc2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512230 466762243 /nfs/dbraw/zinc/76/22/43/466762243.db2.gz OKRJXMFDWVSVRK-LADRWXRNSA-N 2 0 329.488 2.489 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417200229 466800269 /nfs/dbraw/zinc/80/02/69/466800269.db2.gz TUOIDGCNLIRCTE-RTBURBONSA-N 2 0 340.471 2.159 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)ccc1F ZINC000417664777 466903339 /nfs/dbraw/zinc/90/33/39/466903339.db2.gz XKXQDWGAIKQFGV-CQSZACIVSA-N 2 0 336.455 2.158 10 0 EEAERP C[C@@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000417664746 466903584 /nfs/dbraw/zinc/90/35/84/466903584.db2.gz XGQVYKSQAPGACU-CZUORRHYSA-N 2 0 336.455 2.014 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000417852691 466957105 /nfs/dbraw/zinc/95/71/05/466957105.db2.gz HHWAMHZMHNFQLG-DDUZABMNSA-N 2 0 330.476 2.173 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417874767 466965481 /nfs/dbraw/zinc/96/54/81/466965481.db2.gz NLOXQBNZSANNCE-YSHGAJCASA-N 2 0 342.487 2.043 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)NC(C)(C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417990538 467013736 /nfs/dbraw/zinc/01/37/36/467013736.db2.gz MFONKJWLCPPGJE-DLBZAZTESA-N 2 0 346.475 2.010 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417995644 467015866 /nfs/dbraw/zinc/01/58/66/467015866.db2.gz QMMUYBNYWYNTBY-LHHMISFZSA-N 2 0 334.508 2.033 10 0 EEAERP CCCCCCOCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370831503 467019057 /nfs/dbraw/zinc/01/90/57/467019057.db2.gz VHTIIHUHBCOVNE-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000418159447 467061604 /nfs/dbraw/zinc/06/16/04/467061604.db2.gz AFSWHFKOWFSEHX-LAQRGFTBSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418601461 467134243 /nfs/dbraw/zinc/13/42/43/467134243.db2.gz UNLZZVWCZKLALV-FUHWJXTLSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615137 467136185 /nfs/dbraw/zinc/13/61/85/467136185.db2.gz GTOXFSDZNLMTAD-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000418644841 467139810 /nfs/dbraw/zinc/13/98/10/467139810.db2.gz CQBHNJNREDMVRK-ROUUACIJSA-N 2 0 328.460 2.122 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000418674989 467144630 /nfs/dbraw/zinc/14/46/30/467144630.db2.gz WUEXMXBTUKXPLR-QAQDUYKDSA-N 2 0 336.524 2.269 10 0 EEAERP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1cccn1 ZINC000390897413 467415787 /nfs/dbraw/zinc/41/57/87/467415787.db2.gz OIULBEHRTNXPHV-NXEWRWPSSA-N 2 0 340.471 2.029 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415036078 467472625 /nfs/dbraw/zinc/47/26/25/467472625.db2.gz LHBSQMUXBZRHRW-HKUYNNGSSA-N 3 0 330.520 2.436 10 0 EEAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415043523 467474419 /nfs/dbraw/zinc/47/44/19/467474419.db2.gz RPHHKGBSEFFHMF-BXUZGUMPSA-N 2 0 345.256 2.487 10 0 EEAERP Cc1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000415204480 467517981 /nfs/dbraw/zinc/51/79/81/467517981.db2.gz ODKWUJMXMCIRNR-MRXNPFEDSA-N 2 0 346.475 2.294 10 0 EEAERP Cc1cncn1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000528642804 467719428 /nfs/dbraw/zinc/71/94/28/467719428.db2.gz MXBQNKQRHUXGOT-KRWDZBQOSA-N 2 0 326.444 2.315 10 0 EEAERP CN1CCC(CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000458460318 467838295 /nfs/dbraw/zinc/83/82/95/467838295.db2.gz CZRVUCGRSFTBBC-FGTMMUONSA-N 2 0 348.535 2.425 10 0 EEAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000529340481 467849583 /nfs/dbraw/zinc/84/95/83/467849583.db2.gz OSCKVTDHEUIIAZ-JFIYKMOQSA-N 2 0 332.492 2.274 10 0 EEAERP CSC1(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC[NH+](C)CC1 ZINC000514697364 467948698 /nfs/dbraw/zinc/94/86/98/467948698.db2.gz TZZDINDQAIDGME-UHFFFAOYSA-N 2 0 331.489 2.389 10 0 EEAERP COCCOc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247954 467968337 /nfs/dbraw/zinc/96/83/37/467968337.db2.gz FGTHFHVIIANUCI-IBGZPJMESA-N 2 0 348.487 2.302 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]([NH3+])C3CCC3)CC[N@@H+]2C2CC2)c1 ZINC000515233029 467981756 /nfs/dbraw/zinc/98/17/56/467981756.db2.gz AVXHLLLPSYUGJE-CEXWTWQISA-N 2 0 343.471 2.217 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000531446161 468053215 /nfs/dbraw/zinc/05/32/15/468053215.db2.gz UKADRLNPFLXFHP-NVXWUHKLSA-N 2 0 330.476 2.205 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)cn2)CC1 ZINC000582527146 468551855 /nfs/dbraw/zinc/55/18/55/468551855.db2.gz BHIGQBGLIAHKHR-VQFNDLOPSA-N 2 0 332.492 2.269 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000594494873 468609740 /nfs/dbraw/zinc/60/97/40/468609740.db2.gz JQGNBOSKZXRZIU-HNAYVOBHSA-N 2 0 345.487 2.076 10 0 EEAERP [NH3+][C@H](CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000583623096 468729162 /nfs/dbraw/zinc/72/91/62/468729162.db2.gz QUBCQQIWLMZBMK-HZPDHXFCSA-N 2 0 333.501 2.346 10 0 EEAERP C[C@@]1(CNC(=O)N2CCC([NH3+])CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000562813536 469080325 /nfs/dbraw/zinc/08/03/25/469080325.db2.gz BCDSMWJQYZWKGK-IBGZPJMESA-N 2 0 330.476 2.174 10 0 EEAERP COc1ccccc1[C@@H](C)N(C)C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150259 469182563 /nfs/dbraw/zinc/18/25/63/469182563.db2.gz LTRHXJHNUWLVCQ-UZLBHIALSA-N 2 0 345.487 2.290 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)CC1 ZINC000615315932 469216542 /nfs/dbraw/zinc/21/65/42/469216542.db2.gz VBROINVOTJQRCW-YJBOKZPZSA-N 2 0 330.476 2.157 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000616982648 469558282 /nfs/dbraw/zinc/55/82/82/469558282.db2.gz MFRUUJNVUYLWEN-JKSUJKDBSA-N 2 0 334.464 2.200 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965266 469592941 /nfs/dbraw/zinc/59/29/41/469592941.db2.gz YGOSNZHOTLDYOS-SFHVURJKSA-N 2 0 342.487 2.224 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)cc1OC ZINC000629652748 469599100 /nfs/dbraw/zinc/59/91/00/469599100.db2.gz DQQXZMOBSPWWCB-UHFFFAOYSA-N 2 0 331.254 2.126 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000626941892 469763566 /nfs/dbraw/zinc/76/35/66/469763566.db2.gz GQOGFOGRWFRULQ-KDOFPFPSSA-N 2 0 348.466 2.230 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000626952152 469767776 /nfs/dbraw/zinc/76/77/76/469767776.db2.gz BIGRVNOPEOKORN-ZBFHGGJFSA-N 2 0 334.464 2.246 10 0 EEAERP CCN(CC[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000626975633 469774591 /nfs/dbraw/zinc/77/45/91/469774591.db2.gz YUQCMDAOWYASMY-AYHJJNSGSA-N 2 0 330.476 2.172 10 0 EEAERP C[C@H](CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000626991614 469779808 /nfs/dbraw/zinc/77/98/08/469779808.db2.gz JDUUBWDBNFNDBZ-NUJGCVRESA-N 2 0 332.492 2.337 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCCCO1 ZINC000623868956 469784159 /nfs/dbraw/zinc/78/41/59/469784159.db2.gz LVKORAIDSUVIAV-XLIONFOSSA-N 2 0 331.504 2.481 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000627165538 469830683 /nfs/dbraw/zinc/83/06/83/469830683.db2.gz YQGAMYWYOCFFEV-DLBZAZTESA-N 2 0 332.492 2.337 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627194343 469839199 /nfs/dbraw/zinc/83/91/99/469839199.db2.gz AWFPMSGEGBNSHE-IEBWSBKVSA-N 2 0 344.503 2.353 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627200941 469842884 /nfs/dbraw/zinc/84/28/84/469842884.db2.gz VXBFIBDAECOZND-AEFFLSMTSA-N 2 0 344.503 2.433 10 0 EEAERP COc1cncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1C ZINC000631170559 470085651 /nfs/dbraw/zinc/08/56/51/470085651.db2.gz DBGCCSXPVZWDCO-UHFFFAOYSA-N 2 0 333.476 2.379 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631217477 470095396 /nfs/dbraw/zinc/09/53/96/470095396.db2.gz WAORHJZTHGAGJJ-KRWDZBQOSA-N 2 0 341.446 2.324 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625297341 470114660 /nfs/dbraw/zinc/11/46/60/470114660.db2.gz LIUSRRDJFZVFES-SLFFLAALSA-N 2 0 341.499 2.355 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661684 470176806 /nfs/dbraw/zinc/17/68/06/470176806.db2.gz BLXFJZQAORWNEX-NZSAHSFTSA-N 2 0 327.476 2.414 10 0 EEAERP CCCN(C(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000648997313 470421912 /nfs/dbraw/zinc/42/19/12/470421912.db2.gz MUFBEYCLJLYTFS-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)ccc1F ZINC000646001845 470489035 /nfs/dbraw/zinc/48/90/35/470489035.db2.gz RTWKQSFPUDLBJI-SFHVURJKSA-N 2 0 341.430 2.391 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cccn1C1CC[NH2+]CC1 ZINC000649319101 470543910 /nfs/dbraw/zinc/54/39/10/470543910.db2.gz HDWHFSBONCFXFF-UHFFFAOYSA-N 2 0 336.399 2.246 10 0 EEAERP O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000647899491 471010869 /nfs/dbraw/zinc/01/08/69/471010869.db2.gz MUTNOVBZOVEZSD-JQHSSLGASA-N 2 0 343.471 2.090 10 0 EEAERP O=C(CCC1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638311212 471034302 /nfs/dbraw/zinc/03/43/02/471034302.db2.gz XLNCHFADQHRSHH-WOJBJXKFSA-N 2 0 341.499 2.499 10 0 EEAERP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638426507 471089724 /nfs/dbraw/zinc/08/97/24/471089724.db2.gz PJOJICINRGESJP-IBGZPJMESA-N 2 0 341.499 2.405 10 0 EEAERP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638426266 471090549 /nfs/dbraw/zinc/09/05/49/471090549.db2.gz OROSBAZHOLIVLG-WMZOPIPTSA-N 2 0 329.488 2.403 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)CO1 ZINC000657313292 471095248 /nfs/dbraw/zinc/09/52/48/471095248.db2.gz SGTOJMGOVJAZNW-VQTJNVASSA-N 2 0 331.504 2.481 10 0 EEAERP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000648140728 471099166 /nfs/dbraw/zinc/09/91/66/471099166.db2.gz INYZQOLRGLENSR-GOSISDBHSA-N 2 0 327.472 2.101 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC000657573558 471172227 /nfs/dbraw/zinc/17/22/27/471172227.db2.gz DYFTZNJETXQGCZ-GOSISDBHSA-N 2 0 347.422 2.253 10 0 EEAERP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597293 471181888 /nfs/dbraw/zinc/18/18/88/471181888.db2.gz SLFFEIRIUJXVCY-SFHVURJKSA-N 2 0 340.471 2.154 10 0 EEAERP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)CCO1 ZINC000648425178 471200864 /nfs/dbraw/zinc/20/08/64/471200864.db2.gz WGWWVRZTVQDMTN-ROUUACIJSA-N 2 0 332.492 2.271 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657801382 471235309 /nfs/dbraw/zinc/23/53/09/471235309.db2.gz QJBPIVQMDYFMGB-NJDAHSKKSA-N 2 0 342.531 2.019 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000652147823 471244532 /nfs/dbraw/zinc/24/45/32/471244532.db2.gz CUCGJAUIHIOGAT-HOTGVXAUSA-N 2 0 332.492 2.468 10 0 EEAERP CO[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000658075371 471264577 /nfs/dbraw/zinc/26/45/77/471264577.db2.gz XKJSWVXMFPGADZ-KVSKMBFKSA-N 2 0 336.476 2.329 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000652283354 471266629 /nfs/dbraw/zinc/26/66/29/471266629.db2.gz DGLCEDZSHDWBKY-UHFFFAOYSA-N 2 0 330.476 2.176 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC/C=C\C[NH3+])cc1 ZINC000669115340 471384819 /nfs/dbraw/zinc/38/48/19/471384819.db2.gz PDZBBFPUXYSGPY-MJSXRHKHSA-N 2 0 330.476 2.375 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659039076 471481507 /nfs/dbraw/zinc/48/15/07/471481507.db2.gz YZKOJOBWYXZQOQ-QZTJIDSGSA-N 2 0 346.475 2.151 10 0 EEAERP O=C(NCC[NH2+]C1CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000669474469 471510489 /nfs/dbraw/zinc/51/04/89/471510489.db2.gz QWZSKEUWLRPNPV-YQQQUEKLSA-N 2 0 342.487 2.233 10 0 EEAERP Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)C2 ZINC000666787924 471537193 /nfs/dbraw/zinc/53/71/93/471537193.db2.gz SJWYKSCFLLNFJE-APWZRJJASA-N 2 0 346.519 2.363 10 0 EEAERP C[C@@]1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565841 471560401 /nfs/dbraw/zinc/56/04/01/471560401.db2.gz LETRHDAHIHQUMI-QUCCMNQESA-N 2 0 344.503 2.482 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccsc1 ZINC000659433330 471625063 /nfs/dbraw/zinc/62/50/63/471625063.db2.gz AFROCHAGTNDTFD-GULBITTBSA-N 2 0 336.505 2.264 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659577303 471684416 /nfs/dbraw/zinc/68/44/16/471684416.db2.gz PZHQBUWHBSSHHY-BHIYHBOVSA-N 2 0 344.503 2.258 10 0 EEAERP CCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664349941 471726742 /nfs/dbraw/zinc/72/67/42/471726742.db2.gz NBLMRDNOPDEYFT-GOSISDBHSA-N 2 0 338.540 2.480 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000661403522 471744809 /nfs/dbraw/zinc/74/48/09/471744809.db2.gz LTQBWQLOQUMJRO-SFHVURJKSA-N 2 0 346.519 2.463 10 0 EEAERP CO[C@@H](C[N@H+](C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000659990891 471817405 /nfs/dbraw/zinc/81/74/05/471817405.db2.gz ISMCEEMFQDHFEA-XLIONFOSSA-N 2 0 347.503 2.072 10 0 EEAERP CC1(C)CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680318 471864273 /nfs/dbraw/zinc/86/42/73/471864273.db2.gz CRARZFQBCZUNRS-QGZVFWFLSA-N 2 0 330.476 2.146 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccnc1N(C)C ZINC000660338903 471949607 /nfs/dbraw/zinc/94/96/07/471949607.db2.gz FRKJDBZGCOSPEP-OAHLLOKOSA-N 2 0 333.480 2.067 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274606 471986869 /nfs/dbraw/zinc/98/68/69/471986869.db2.gz UJXGIWXPRDLSMQ-ATZDWAIDSA-N 2 0 344.503 2.143 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000665285032 471990264 /nfs/dbraw/zinc/99/02/64/471990264.db2.gz AVOZZUWEUIXOLY-GOSISDBHSA-N 2 0 333.451 2.393 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000665285151 471990268 /nfs/dbraw/zinc/99/02/68/471990268.db2.gz FBIUTKCLLGDBBL-HNNXBMFYSA-N 2 0 333.476 2.336 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000665285328 471990286 /nfs/dbraw/zinc/99/02/86/471990286.db2.gz KEDHFEQZPGCIEO-IBGZPJMESA-N 2 0 345.487 2.263 10 0 EEAERP O=C(NCC[NH2+]C1CCCCCC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662423432 472105194 /nfs/dbraw/zinc/10/51/94/472105194.db2.gz WJJJHSDCTDAKSD-UHFFFAOYSA-N 2 0 334.464 2.184 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662709822 472216963 /nfs/dbraw/zinc/21/69/63/472216963.db2.gz CTYZCWKFULNXEE-FGTMMUONSA-N 2 0 345.462 2.105 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000668839945 472292846 /nfs/dbraw/zinc/29/28/46/472292846.db2.gz LURAJJJYAUSKBL-UPHRSURJSA-N 2 0 336.867 2.119 10 0 EEAERP O=C(NCC[NH2+]C1CC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000668864799 472302012 /nfs/dbraw/zinc/30/20/12/472302012.db2.gz YZJHYOONXRUZEF-UHFFFAOYSA-N 2 0 330.476 2.224 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC000670462474 485653067 /nfs/dbraw/zinc/65/30/67/485653067.db2.gz XIFSRQDEYVEUTB-UHFFFAOYSA-N 2 0 332.492 2.337 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457898556 535939622 /nfs/dbraw/zinc/93/96/22/535939622.db2.gz FXXXLJHNNJRNDB-GOSISDBHSA-N 2 0 346.519 2.333 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[NH+](C3CCC3)CC2)ccc1F ZINC000265209871 535989240 /nfs/dbraw/zinc/98/92/40/535989240.db2.gz JBASSMBDRPSVAK-UHFFFAOYSA-N 2 0 348.466 2.267 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422710666 536593362 /nfs/dbraw/zinc/59/33/62/536593362.db2.gz FIYOIUGDOBSODQ-MRXNPFEDSA-N 2 0 341.446 2.273 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842563 536596638 /nfs/dbraw/zinc/59/66/38/536596638.db2.gz FXXKBPFDSLDXMD-GOSISDBHSA-N 2 0 342.443 2.177 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848193 681244848 /nfs/dbraw/zinc/24/48/48/681244848.db2.gz ARXLPJIBUGUXCO-UONOGXRCSA-N 2 0 326.872 2.265 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894766291 683081636 /nfs/dbraw/zinc/08/16/36/683081636.db2.gz OUAKXOJNHAUBCR-MRXNPFEDSA-N 2 0 345.491 2.116 10 0 EEAERP O[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1 ZINC000895752459 684711246 /nfs/dbraw/zinc/71/12/46/684711246.db2.gz JIAQYLZPTBNHJW-IBGZPJMESA-N 2 0 329.419 2.383 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCS1 ZINC000927254820 693968477 /nfs/dbraw/zinc/96/84/77/693968477.db2.gz BNHLOBYBBWKXMN-HOTGVXAUSA-N 2 0 344.569 2.186 10 0 EEAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccnn1CC1CCC1 ZINC000924663075 693098968 /nfs/dbraw/zinc/09/89/68/693098968.db2.gz ULSYHRKRYRUTMG-QGZVFWFLSA-N 2 0 333.524 2.361 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCCc2ccsc2)C1 ZINC001485526343 1191826241 /nfs/dbraw/zinc/82/62/41/1191826241.db2.gz NDLMKIAGHRGOHL-JKSUJKDBSA-N 2 0 349.544 2.459 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001485702391 1191905556 /nfs/dbraw/zinc/90/55/56/1191905556.db2.gz RGHPLKHMVFBGCT-LFRSCDAGSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001485726834 1191911910 /nfs/dbraw/zinc/91/19/10/1191911910.db2.gz HTMZWXLUUQYWCP-BBRMVZONSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485747345 1191929763 /nfs/dbraw/zinc/92/97/63/1191929763.db2.gz BAKXYZLJYHCNTH-DOTOQJQBSA-N 2 0 345.487 2.043 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001266534590 1176773711 /nfs/dbraw/zinc/77/37/11/1176773711.db2.gz MAPXPICPGPWXPA-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702399 1177227788 /nfs/dbraw/zinc/22/77/88/1177227788.db2.gz ZSJYDEWNFBYBJB-SFHVURJKSA-N 2 0 333.451 2.024 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702156 1177228125 /nfs/dbraw/zinc/22/81/25/1177228125.db2.gz QLHBBDKTKVJKIS-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cccs1 ZINC001266757261 1177361064 /nfs/dbraw/zinc/36/10/64/1177361064.db2.gz UCTUWZWNCXPDIY-KRWDZBQOSA-N 2 0 337.533 2.459 10 0 EEAERP COCCCC[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001266915897 1177793005 /nfs/dbraw/zinc/79/30/05/1177793005.db2.gz PPYSTTNBSTVLFO-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266979971 1177971304 /nfs/dbraw/zinc/97/13/04/1177971304.db2.gz NEAZEZYVOGINJI-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(OC)c1)[NH+](C)C ZINC001266988954 1178045544 /nfs/dbraw/zinc/04/55/44/1178045544.db2.gz QNWIYQANASPONV-HNNXBMFYSA-N 2 0 341.883 2.237 10 0 EEAERP CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)C[NH+]1CCCC1 ZINC001267081573 1178203301 /nfs/dbraw/zinc/20/33/01/1178203301.db2.gz NVGUREJFJUIZHE-UHFFFAOYSA-N 2 0 349.441 2.499 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001691441605 1178634866 /nfs/dbraw/zinc/63/48/66/1178634866.db2.gz SGWWGLKFHHEUFH-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCCCF ZINC001267276316 1178659837 /nfs/dbraw/zinc/65/98/37/1178659837.db2.gz PJSGILPJSOQRMX-BZUAXINKSA-N 2 0 336.455 2.244 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)c1sccc1C[NH+](C)C ZINC001267380499 1178930107 /nfs/dbraw/zinc/93/01/07/1178930107.db2.gz PTDTYHWOHPNSTB-OAHLLOKOSA-N 2 0 339.505 2.040 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001267473297 1179104375 /nfs/dbraw/zinc/10/43/75/1179104375.db2.gz INWYJXBTIUXRGF-IAGOWNOFSA-N 2 0 347.503 2.424 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1cnccc1C ZINC001480982811 1179421928 /nfs/dbraw/zinc/42/19/28/1179421928.db2.gz HMJSMYUYOPEMIJ-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001481110710 1179763480 /nfs/dbraw/zinc/76/34/80/1179763480.db2.gz AUEVARLCOVXSEP-ZBFHGGJFSA-N 2 0 335.517 2.336 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267778693 1180513183 /nfs/dbraw/zinc/51/31/83/1180513183.db2.gz FVKJYJFCUSCISK-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cncc(C)c2)CC1)[NH+](C)C ZINC001267915433 1180757124 /nfs/dbraw/zinc/75/71/24/1180757124.db2.gz HOFXHGOPKLLJSV-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267978630 1180910557 /nfs/dbraw/zinc/91/05/57/1180910557.db2.gz DGGDZZJAHCSHPS-MAUKXSAKSA-N 2 0 347.503 2.118 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001481302980 1180965705 /nfs/dbraw/zinc/96/57/05/1180965705.db2.gz IMLJLWLQUXNYKF-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1)[NH+](C)C ZINC001481306384 1180983179 /nfs/dbraw/zinc/98/31/79/1180983179.db2.gz ORVZWGGEZKWYIQ-INIZCTEOSA-N 2 0 325.884 2.474 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccns1 ZINC001481354912 1181107152 /nfs/dbraw/zinc/10/71/52/1181107152.db2.gz NULXJUBUSWLPAU-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268179122 1181961440 /nfs/dbraw/zinc/96/14/40/1181961440.db2.gz QDUAYALNIIYEHJ-QZTJIDSGSA-N 2 0 347.503 2.234 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1ncccc1C ZINC001268456757 1182716023 /nfs/dbraw/zinc/71/60/23/1182716023.db2.gz NNTJVQMRKBOGCH-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001481845650 1182789497 /nfs/dbraw/zinc/78/94/97/1182789497.db2.gz KCEXHLDPHDZBKG-KRWDZBQOSA-N 2 0 342.487 2.494 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCO[C@H](C)C1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268468396 1182806590 /nfs/dbraw/zinc/80/65/90/1182806590.db2.gz DHLBFSOZLADJDE-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)cc1F ZINC001481870962 1182831381 /nfs/dbraw/zinc/83/13/81/1182831381.db2.gz PFRDBIHMDIUHNG-OAHLLOKOSA-N 2 0 337.414 2.045 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268491832 1182988672 /nfs/dbraw/zinc/98/86/72/1182988672.db2.gz RWQFHPRHBWIJQQ-SFHVURJKSA-N 2 0 343.515 2.455 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001481981888 1183077353 /nfs/dbraw/zinc/07/73/53/1183077353.db2.gz ANJLFMQFGMYEIL-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2nccs2)C1 ZINC001481987899 1183092128 /nfs/dbraw/zinc/09/21/28/1183092128.db2.gz NHCLHWPKQOFQEJ-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP CC[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001482016388 1183134826 /nfs/dbraw/zinc/13/48/26/1183134826.db2.gz CGGUBISSCBDZAV-TVFCKZIOSA-N 2 0 339.524 2.303 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001482061692 1183271662 /nfs/dbraw/zinc/27/16/62/1183271662.db2.gz JJHHDXZTWSCSCW-SQNIBIBYSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCn2cncc2C1)C[NH2+]CCc1cccs1 ZINC001482117629 1183350780 /nfs/dbraw/zinc/35/07/80/1183350780.db2.gz XCEXRCYLIDKJNO-LSDHHAIUSA-N 2 0 346.500 2.092 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]C/C=C\c2ccccc2)C1 ZINC001268590833 1183393508 /nfs/dbraw/zinc/39/35/08/1183393508.db2.gz JWKLPNCHIAUPII-PSPJRRSOSA-N 2 0 327.472 2.304 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001268598099 1183499604 /nfs/dbraw/zinc/49/96/04/1183499604.db2.gz WEBPXAIZOVOJOA-WIJVFFIESA-N 2 0 337.508 2.082 10 0 EEAERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001269471196 1184294461 /nfs/dbraw/zinc/29/44/61/1184294461.db2.gz GJPBZFLSTQGDCH-KGLIPLIRSA-N 2 0 326.872 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cnoc2C)CC1 ZINC001269935595 1184728188 /nfs/dbraw/zinc/72/81/88/1184728188.db2.gz UHPHHOANCQFCLJ-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001482299631 1185197998 /nfs/dbraw/zinc/19/79/98/1185197998.db2.gz RZSJXVCPOQIPSD-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001270648955 1185264646 /nfs/dbraw/zinc/26/46/46/1185264646.db2.gz KRHGKMNSCMXYGA-QFBILLFUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323132 1185357710 /nfs/dbraw/zinc/35/77/10/1185357710.db2.gz LDAVVNFSBYOSPN-OAHLLOKOSA-N 2 0 349.523 2.051 10 0 EEAERP COCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001270744935 1185361932 /nfs/dbraw/zinc/36/19/32/1185361932.db2.gz REIKIACBAFFOPB-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482354635 1185492286 /nfs/dbraw/zinc/49/22/86/1185492286.db2.gz SFOBHUQFOYVVNJ-AWEZNQCLSA-N 2 0 335.879 2.372 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1OC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365589 1185524154 /nfs/dbraw/zinc/52/41/54/1185524154.db2.gz WUZREJJIIPOFRA-NVXWUHKLSA-N 2 0 345.487 2.116 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001482421050 1185665866 /nfs/dbraw/zinc/66/58/66/1185665866.db2.gz HCVSTJOEVZTBKQ-DLBZAZTESA-N 2 0 349.523 2.075 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccon2)CC1 ZINC001482462494 1185931679 /nfs/dbraw/zinc/93/16/79/1185931679.db2.gz PEJHGAGLHMCJFM-SFHVURJKSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001271208505 1186079564 /nfs/dbraw/zinc/07/95/64/1186079564.db2.gz QZRLVXMDOTWWRZ-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001271208507 1186080175 /nfs/dbraw/zinc/08/01/75/1186080175.db2.gz QZRLVXMDOTWWRZ-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550137 1186310742 /nfs/dbraw/zinc/31/07/42/1186310742.db2.gz MXJOQRNCGZPMNO-QZTJIDSGSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482495935 1186398493 /nfs/dbraw/zinc/39/84/93/1186398493.db2.gz TZLQCEHVZFBDGT-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1 ZINC001271758433 1186464179 /nfs/dbraw/zinc/46/41/79/1186464179.db2.gz XDIYNZWMFHSQTJ-FYZAEVDHSA-N 2 0 327.900 2.345 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001271770232 1186472910 /nfs/dbraw/zinc/47/29/10/1186472910.db2.gz LOCBNUOKXFVLOE-BRWVUGGUSA-N 2 0 327.488 2.343 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)C)on1 ZINC001482536108 1186572277 /nfs/dbraw/zinc/57/22/77/1186572277.db2.gz MCALUIYLNAQYQH-DOTOQJQBSA-N 2 0 336.480 2.088 10 0 EEAERP CN(CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccns1 ZINC001482606451 1187360564 /nfs/dbraw/zinc/36/05/64/1187360564.db2.gz PTYWCXUKKAYSFM-GDBMZVCRSA-N 2 0 336.505 2.050 10 0 EEAERP Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)o1 ZINC001482663859 1187509700 /nfs/dbraw/zinc/50/97/00/1187509700.db2.gz CJOSSBIAJCNCHH-IAGOWNOFSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000291109731 1187626744 /nfs/dbraw/zinc/62/67/44/1187626744.db2.gz SOVWLHWNBQDTCR-JZXOWHBKSA-N 2 0 344.503 2.454 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860290 1187773830 /nfs/dbraw/zinc/77/38/30/1187773830.db2.gz HAEWRQGIXQWADO-UONOGXRCSA-N 2 0 336.480 2.051 10 0 EEAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482876861 1187796210 /nfs/dbraw/zinc/79/62/10/1187796210.db2.gz LMSMHSPQUDBKBP-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483059490 1188353080 /nfs/dbraw/zinc/35/30/80/1188353080.db2.gz SMBLEWHSCVWGHI-TUYSUELWSA-N 2 0 329.488 2.353 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CCc2ccccc2F)CC1 ZINC001483071739 1188423988 /nfs/dbraw/zinc/42/39/88/1188423988.db2.gz XNFNYQQOKCGRGL-SNAWJCMRSA-N 2 0 347.478 2.362 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001272822727 1193561936 /nfs/dbraw/zinc/56/19/36/1193561936.db2.gz HUYLOJCHSVLETI-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001483082598 1188445365 /nfs/dbraw/zinc/44/53/65/1188445365.db2.gz SLJMGWDKTORWDT-QIGIYGOBSA-N 2 0 345.462 2.417 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483099033 1188475850 /nfs/dbraw/zinc/47/58/50/1188475850.db2.gz VPTFVMAXWIUHAK-RGDDUWESSA-N 2 0 331.451 2.414 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]C/C(Cl)=C\Cl)C2)CC1 ZINC001409282411 1188596677 /nfs/dbraw/zinc/59/66/77/1188596677.db2.gz XNUBZTQEYYQAHQ-KPKJPENVSA-N 2 0 334.291 2.132 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866036 1193583495 /nfs/dbraw/zinc/58/34/95/1193583495.db2.gz PSTXTCAHGBPOQK-DGCLKSJQSA-N 2 0 344.912 2.265 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)s1 ZINC001483197583 1189083083 /nfs/dbraw/zinc/08/30/83/1189083083.db2.gz MUMQIRMLOHYCMZ-CJNGLKHVSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348561 1189556391 /nfs/dbraw/zinc/55/63/91/1189556391.db2.gz DKYJGCNQJJXBHH-JKSUJKDBSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001409361543 1189576865 /nfs/dbraw/zinc/57/68/65/1189576865.db2.gz JVJOMNCFPVENQP-HZPDHXFCSA-N 2 0 347.503 2.036 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001485882634 1193628674 /nfs/dbraw/zinc/62/86/74/1193628674.db2.gz KYTYXIYZCUCCMW-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H](CN(C)C(=O)CCc1c[nH]cn1)[NH2+]Cc1ccc(Cl)nc1 ZINC001485885776 1193629536 /nfs/dbraw/zinc/62/95/36/1193629536.db2.gz QMUXOJFCTVAQRB-LBPRGKRZSA-N 2 0 335.839 2.027 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1ccnc1 ZINC001409468986 1189754698 /nfs/dbraw/zinc/75/46/98/1189754698.db2.gz MVKMUMZYEXSYKT-GJZGRUSLSA-N 2 0 343.475 2.393 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485955725 1193648203 /nfs/dbraw/zinc/64/82/03/1193648203.db2.gz QAYRCPWQGMERGA-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001409621376 1190111966 /nfs/dbraw/zinc/11/19/66/1190111966.db2.gz GSGDVTRDVNPAQF-ZIAGYGMSSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1nc(C)c(C[NH+](C)[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)s1 ZINC001409626147 1190122806 /nfs/dbraw/zinc/12/28/06/1190122806.db2.gz BCCHBIFEMBPRJX-DOMZBBRYSA-N 2 0 338.521 2.038 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC001483296717 1190319661 /nfs/dbraw/zinc/31/96/61/1190319661.db2.gz PSMPFANNDIUTGN-MAUKXSAKSA-N 2 0 333.476 2.164 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CCC(F)(F)F)C1 ZINC001483376271 1190417277 /nfs/dbraw/zinc/41/72/77/1190417277.db2.gz FUYIOMZXNBGSET-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H](C[N@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407559 1190453518 /nfs/dbraw/zinc/45/35/18/1190453518.db2.gz MNCSVNWXNPCFFM-STQMWFEESA-N 2 0 348.318 2.103 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)s1 ZINC001483444832 1190482680 /nfs/dbraw/zinc/48/26/80/1190482680.db2.gz XJIHMCNUOUTWTB-HOCLYGCPSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001483512418 1190525518 /nfs/dbraw/zinc/52/55/18/1190525518.db2.gz YUQFMCCZRZKULN-GJZGRUSLSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001483578459 1190567066 /nfs/dbraw/zinc/56/70/66/1190567066.db2.gz GNCAJLPILCEZSI-SFHVURJKSA-N 2 0 344.503 2.249 10 0 EEAERP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001409829965 1190661671 /nfs/dbraw/zinc/66/16/71/1190661671.db2.gz FTIFERNGNQXTNP-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001272343794 1190777472 /nfs/dbraw/zinc/77/74/72/1190777472.db2.gz OSDFQWYJORXENU-CHWSQXEVSA-N 2 0 334.291 2.276 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001272438778 1190821605 /nfs/dbraw/zinc/82/16/05/1190821605.db2.gz DIENFHPBEVJBGW-ZIFCJYIRSA-N 2 0 344.503 2.058 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001272556000 1190877206 /nfs/dbraw/zinc/87/72/06/1190877206.db2.gz OKCANHVXWAEWDZ-GDBMZVCRSA-N 2 0 338.521 2.058 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001272641513 1190948501 /nfs/dbraw/zinc/94/85/01/1190948501.db2.gz JGFMLKQSOWVIMA-INIZCTEOSA-N 2 0 333.451 2.250 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001409905000 1190992858 /nfs/dbraw/zinc/99/28/58/1190992858.db2.gz CGWAMDQVPLBMAL-KGLIPLIRSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2F)CCN1C(=O)CC[NH+](C)C ZINC001483908240 1191120276 /nfs/dbraw/zinc/12/02/76/1191120276.db2.gz IUPPBBCHXXCZQA-WBVHZDCISA-N 2 0 335.467 2.289 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001484006797 1191150135 /nfs/dbraw/zinc/15/01/35/1191150135.db2.gz MNWRNULKHWHXAO-SFHVURJKSA-N 2 0 332.492 2.106 10 0 EEAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001484100817 1191210740 /nfs/dbraw/zinc/21/07/40/1191210740.db2.gz IYCYGHZQNMYAJX-UYAOXDASSA-N 2 0 347.503 2.234 10 0 EEAERP CC(C)(C(=O)NCC1(C)CC[NH+](CCCF)CC1)[NH+]1CCCC1 ZINC001484139840 1191230149 /nfs/dbraw/zinc/23/01/49/1191230149.db2.gz CESNOHZUIKXDEF-UHFFFAOYSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccn2)CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001484639266 1191454295 /nfs/dbraw/zinc/45/42/95/1191454295.db2.gz PVNILBONIHYYMJ-ROUUACIJSA-N 2 0 342.487 2.227 10 0 EEAERP CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)O2 ZINC001484787633 1191526127 /nfs/dbraw/zinc/52/61/27/1191526127.db2.gz HYYBMWIWIHZOKQ-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CCC1([NH2+]Cc2cc(C)on2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001484820169 1191539874 /nfs/dbraw/zinc/53/98/74/1191539874.db2.gz IZBQLXJCXZSMIO-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(F)(F)C(F)F ZINC001484997682 1191607456 /nfs/dbraw/zinc/60/74/56/1191607456.db2.gz YWQAZPJBRNMIFI-SRVKXCTJSA-N 2 0 341.393 2.102 10 0 EEAERP CC[N@@H+](Cc1cncs1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485032305 1191622388 /nfs/dbraw/zinc/62/23/88/1191622388.db2.gz RZHLYHGSIMJMTI-UHFFFAOYSA-N 2 0 338.521 2.155 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485155143 1191668089 /nfs/dbraw/zinc/66/80/89/1191668089.db2.gz IQYQGNMIFVIOCR-DLBZAZTESA-N 2 0 347.503 2.341 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485186895 1191684751 /nfs/dbraw/zinc/68/47/51/1191684751.db2.gz IKKYUEXHNDDUOB-HOTGVXAUSA-N 2 0 347.503 2.158 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485193876 1191687505 /nfs/dbraw/zinc/68/75/05/1191687505.db2.gz LCYDSGXWTOMAOP-QWHCGFSZSA-N 2 0 338.496 2.252 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2cnccc2C)CC[N@@H+]1C ZINC001485306406 1191736344 /nfs/dbraw/zinc/73/63/44/1191736344.db2.gz KWLTZHKHMPVLSJ-RYQLBKOJSA-N 2 0 332.492 2.057 10 0 EEAERP COc1cccc(CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001485383955 1191768863 /nfs/dbraw/zinc/76/88/63/1191768863.db2.gz QGIJPPIGLOQUEI-FUHWJXTLSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC2(C)C)on1 ZINC001486249441 1193776064 /nfs/dbraw/zinc/77/60/64/1193776064.db2.gz GZHRQKSXZGGBNK-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001486441921 1193970054 /nfs/dbraw/zinc/97/00/54/1193970054.db2.gz VGJWYXFHLDLYGQ-CQSZACIVSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](CC[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122813 1194405809 /nfs/dbraw/zinc/40/58/09/1194405809.db2.gz ICTFVQBLKBJYHA-CHWSQXEVSA-N 2 0 348.318 2.151 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001410082772 1197544058 /nfs/dbraw/zinc/54/40/58/1197544058.db2.gz CPXUCUPMIGSFHX-IBGZPJMESA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001410218050 1197611151 /nfs/dbraw/zinc/61/11/51/1197611151.db2.gz BHNXAKURBYEKDM-YRBFXIGRSA-N 2 0 345.478 2.431 10 0 EEAERP Cc1nocc1C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001410253210 1197636348 /nfs/dbraw/zinc/63/63/48/1197636348.db2.gz ZMRBSXLXYLCQCK-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/c1ccccc1 ZINC001410374047 1197768187 /nfs/dbraw/zinc/76/81/87/1197768187.db2.gz HDPSEFWSKBNRBJ-ARGQNCHBSA-N 2 0 341.499 2.478 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]CCc1cccs1 ZINC001410451959 1197924637 /nfs/dbraw/zinc/92/46/37/1197924637.db2.gz WUJPJVFVTZMQPN-ZIAGYGMSSA-N 2 0 334.489 2.329 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501213 1198055697 /nfs/dbraw/zinc/05/56/97/1198055697.db2.gz GTKVDIJRCARLOK-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501230 1198055974 /nfs/dbraw/zinc/05/59/74/1198055974.db2.gz GTKVDIJRCARLOK-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000872227441 1198097538 /nfs/dbraw/zinc/09/75/38/1198097538.db2.gz DXFPIFBFCWIYCP-UHFFFAOYSA-N 2 0 342.480 2.452 10 0 EEAERP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872255922 1198114045 /nfs/dbraw/zinc/11/40/45/1198114045.db2.gz OLVIORKXAHCEBP-CFVMTHIKSA-N 2 0 349.500 2.413 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872287912 1198130590 /nfs/dbraw/zinc/13/05/90/1198130590.db2.gz GGHCNULUZXKSBN-RVDAZCDBSA-N 2 0 341.499 2.313 10 0 EEAERP CCc1cc2c(ncnc2N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000866012573 1198454426 /nfs/dbraw/zinc/45/44/26/1198454426.db2.gz JFNKQDSLUQATNI-ZIAGYGMSSA-N 2 0 347.532 2.429 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)C[C@H]1C ZINC001410837427 1198481271 /nfs/dbraw/zinc/48/12/71/1198481271.db2.gz BFAGRJIYNFHDEY-WBVHZDCISA-N 2 0 335.467 2.287 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001410840567 1198489197 /nfs/dbraw/zinc/48/91/97/1198489197.db2.gz DNCNHFGLWDTKQX-NVXWUHKLSA-N 2 0 333.476 2.114 10 0 EEAERP COc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)c1 ZINC001410862670 1198512919 /nfs/dbraw/zinc/51/29/19/1198512919.db2.gz STVDOXLVLBNHGE-QAPCUYQASA-N 2 0 333.476 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H]2C1 ZINC001410924229 1198588181 /nfs/dbraw/zinc/58/81/81/1198588181.db2.gz MMSAAAQBLIVBPY-RLKXXBDZSA-N 2 0 348.318 2.474 10 0 EEAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CCO[C@H](C)C1 ZINC001493001031 1199191543 /nfs/dbraw/zinc/19/15/43/1199191543.db2.gz IWGIZFABOGERPO-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC000876005768 1199470544 /nfs/dbraw/zinc/47/05/44/1199470544.db2.gz NHSJACBMARFFJD-JKSUJKDBSA-N 2 0 330.492 2.182 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810583510 1199606448 /nfs/dbraw/zinc/60/64/48/1199606448.db2.gz WRYJESRKNCDDGD-MAUKXSAKSA-N 2 0 344.471 2.099 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870872705 1200922663 /nfs/dbraw/zinc/92/26/63/1200922663.db2.gz HCDGBECSACEAFN-LOPSVYGOSA-N 2 0 327.472 2.470 10 0 EEAERP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000870881028 1200928505 /nfs/dbraw/zinc/92/85/05/1200928505.db2.gz YKMAMTKNRAYGNJ-YGRLFVJLSA-N 2 0 340.265 2.048 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866241879 1201474063 /nfs/dbraw/zinc/47/40/63/1201474063.db2.gz GUPVCGNTAKFWCL-RTBURBONSA-N 2 0 344.503 2.271 10 0 EEAERP CN1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000866518122 1201538481 /nfs/dbraw/zinc/53/84/81/1201538481.db2.gz VCPKZRSTTYXGHJ-GBBGEASQSA-N 2 0 348.512 2.454 10 0 EEAERP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702402 1201584499 /nfs/dbraw/zinc/58/44/99/1201584499.db2.gz BNPZWUNVODUWEB-FOIQADDNSA-N 2 0 347.503 2.397 10 0 EEAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000866706966 1201585079 /nfs/dbraw/zinc/58/50/79/1201585079.db2.gz RQJORAGSNHYCRA-LJQANCHMSA-N 2 0 328.460 2.093 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1cncc(F)c1)[NH+]1CCCCC1 ZINC001274024909 1204331301 /nfs/dbraw/zinc/33/13/01/1204331301.db2.gz JGYUTGFJUYURLP-PLNGDYQASA-N 2 0 348.466 2.247 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21)C12CC[NH+](CC1)C2 ZINC001274508226 1205062792 /nfs/dbraw/zinc/06/27/92/1205062792.db2.gz HGWJUOXICQVSRS-KROLTMCQSA-N 2 0 343.446 2.171 10 0 EEAERP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001275251105 1205290963 /nfs/dbraw/zinc/29/09/63/1205290963.db2.gz OXPVGHGRLVBPJF-PXIZFIGSSA-N 2 0 330.476 2.286 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCCC4)cn2)CC1 ZINC000924626588 1206006685 /nfs/dbraw/zinc/00/66/85/1206006685.db2.gz KYSXKWLBJHHUBE-GOSISDBHSA-N 2 0 344.503 2.415 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925474729 1206116679 /nfs/dbraw/zinc/11/66/79/1206116679.db2.gz JWYMFVFHBBMXMU-AABGKKOBSA-N 2 0 343.515 2.385 10 0 EEAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)C[C@@H]([NH3+])C1 ZINC000925514574 1206121534 /nfs/dbraw/zinc/12/15/34/1206121534.db2.gz NEVQGDXCJHVUTH-CEXWTWQISA-N 2 0 331.504 2.383 10 0 EEAERP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925814131 1206156802 /nfs/dbraw/zinc/15/68/02/1206156802.db2.gz GPRMHYQQORCAGP-OAHLLOKOSA-N 2 0 327.476 2.254 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925849195 1206160193 /nfs/dbraw/zinc/16/01/93/1206160193.db2.gz BRBLQIRRLXWZGI-GDBMZVCRSA-N 2 0 348.418 2.314 10 0 EEAERP Cc1ccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(OCC[NH+](C)C)c1 ZINC000926039477 1206185001 /nfs/dbraw/zinc/18/50/01/1206185001.db2.gz FHWHKBCWTUEWOQ-INIZCTEOSA-N 2 0 334.464 2.136 10 0 EEAERP C[N@H+](CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCSC1 ZINC000928010947 1206326389 /nfs/dbraw/zinc/32/63/89/1206326389.db2.gz FQYWYOFYYRYRAO-UPTPFMHGSA-N 2 0 339.549 2.337 10 0 EEAERP CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000931009023 1206599451 /nfs/dbraw/zinc/59/94/51/1206599451.db2.gz YGHUJKWZZSGTTR-HUUCEWRRSA-N 2 0 334.464 2.250 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717906315 1211501051 /nfs/dbraw/zinc/50/10/51/1211501051.db2.gz JZGYJYVPYMSHKH-GOSISDBHSA-N 2 0 348.487 2.145 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001276333777 1215754403 /nfs/dbraw/zinc/75/44/03/1215754403.db2.gz WEVAUWGYSQRIKI-QGZVFWFLSA-N 2 0 342.487 2.448 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900013964 1233974421 /nfs/dbraw/zinc/97/44/21/1233974421.db2.gz SUZQNTZDJGPFLO-QYZOEREBSA-N 2 0 329.488 2.292 10 0 EEAERP C[C@H](C(=O)NC[C@H]1CC[N@H+](C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001493240153 1249603658 /nfs/dbraw/zinc/60/36/58/1249603658.db2.gz IIRVRYBOFZOZGH-CGMDNHBQSA-N 2 0 327.900 2.442 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902745453 1238380805 /nfs/dbraw/zinc/38/08/05/1238380805.db2.gz OJMXALAETQPMAV-IEBWSBKVSA-N 2 0 331.504 2.243 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902793881 1238547123 /nfs/dbraw/zinc/54/71/23/1238547123.db2.gz OAAJECKJQYYUKG-MJGOQNOKSA-N 2 0 331.504 2.243 10 0 EEAERP CC(C)C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000902831799 1238649000 /nfs/dbraw/zinc/64/90/00/1238649000.db2.gz FUHXLAOVJWVJFP-LJQANCHMSA-N 2 0 325.541 2.443 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902832699 1238652137 /nfs/dbraw/zinc/65/21/37/1238652137.db2.gz PKTMWQFHDMBYJT-AEFFLSMTSA-N 2 0 331.504 2.242 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 ZINC000903432871 1240458855 /nfs/dbraw/zinc/45/88/55/1240458855.db2.gz ODEMQHAQFDDCOQ-FUHWJXTLSA-N 2 0 333.451 2.030 10 0 EEAERP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000903444574 1240490444 /nfs/dbraw/zinc/49/04/44/1240490444.db2.gz CTJGCZNCCSQNNL-MOPGFXCFSA-N 3 0 336.568 2.242 10 0 EEAERP CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496830 1240675413 /nfs/dbraw/zinc/67/54/13/1240675413.db2.gz GMTVUCBVSVEXSU-SJLPKXTDSA-N 2 0 347.503 2.146 10 0 EEAERP c1ccc(COC[C@@H]2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903734916 1241769438 /nfs/dbraw/zinc/76/94/38/1241769438.db2.gz XKSDDNFMTUQLEW-AABGKKOBSA-N 2 0 330.472 2.294 10 0 EEAERP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956094 1242708181 /nfs/dbraw/zinc/70/81/81/1242708181.db2.gz GUPAPBJACNXEDL-RYUDHWBXSA-N 2 0 329.366 2.377 10 0 EEAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958381 1242723942 /nfs/dbraw/zinc/72/39/42/1242723942.db2.gz ZCQYFIDAYBENAQ-GRYCIOLGSA-N 2 0 340.361 2.188 10 0 EEAERP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958232 1242724659 /nfs/dbraw/zinc/72/46/59/1242724659.db2.gz XJXAPRUKJCGCAL-TZMCWYRMSA-N 2 0 328.403 2.469 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001280631537 1278523085 /nfs/dbraw/zinc/52/30/85/1278523085.db2.gz YWFPXKQNKLNUSM-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267890722 1276772763 /nfs/dbraw/zinc/77/27/63/1276772763.db2.gz BLQKBBRXUSHBGE-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001489203026 1290446749 /nfs/dbraw/zinc/44/67/49/1290446749.db2.gz QYHULYQOYLKJFS-HKVCONOFSA-N 2 0 333.520 2.465 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001490698791 1291630851 /nfs/dbraw/zinc/63/08/51/1291630851.db2.gz JPEREAGHMWCMRO-FFZOFVMBSA-N 2 0 343.515 2.444 10 0 EEAERP CN(CCCN1CCO[C@H](CCC[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000852760220 1292189649 /nfs/dbraw/zinc/18/96/49/1292189649.db2.gz CIFHMGOAVUXZMV-MRXNPFEDSA-N 2 0 343.512 2.286 10 0 EEAERP CC[C@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000852859146 1292218261 /nfs/dbraw/zinc/21/82/61/1292218261.db2.gz QNPYSCKIMRJAGM-LJQANCHMSA-N 2 0 327.472 2.249 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccnc3N)C2)ccn1 ZINC000856584895 1293572587 /nfs/dbraw/zinc/57/25/87/1293572587.db2.gz UIBQINVBNVSEHX-SFHVURJKSA-N 2 0 341.459 2.164 10 0 EEAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000859274444 1294370498 /nfs/dbraw/zinc/37/04/98/1294370498.db2.gz QJTJWTUZZWVKTG-APWZRJJASA-N 2 0 333.476 2.077 10 0 EEAERP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861652679 1295489747 /nfs/dbraw/zinc/48/97/47/1295489747.db2.gz JYEZTQBJKHKGFO-WMZOPIPTSA-N 2 0 344.503 2.277 10 0 EEAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926795255 1296921501 /nfs/dbraw/zinc/92/15/01/1296921501.db2.gz FEMQXEQSKTUPPX-RMQJPMRHSA-N 2 0 344.459 2.130 10 0 EEAERP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCOC(C)C ZINC001276774580 1297588070 /nfs/dbraw/zinc/58/80/70/1297588070.db2.gz XVMFDILYSBXDLP-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1)[NH+](C)C ZINC001277874527 1305004459 /nfs/dbraw/zinc/00/44/59/1305004459.db2.gz PUUODEHBSXAOOD-HKUYNNGSSA-N 2 0 347.503 2.232 10 0 EEAERP O=C(N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001278283551 1308959682 /nfs/dbraw/zinc/95/96/82/1308959682.db2.gz VYZIKGGUTSWWQE-VOGXCRAGSA-N 2 0 325.884 2.099 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCCCF)CCC1(F)F ZINC001278742177 1317944186 /nfs/dbraw/zinc/94/41/86/1317944186.db2.gz VDXOVARMNVXEKL-HUUCEWRRSA-N 2 0 349.441 2.294 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264122346 1322633682 /nfs/dbraw/zinc/63/36/82/1322633682.db2.gz LBUYAQPPYGGMDT-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001264126153 1322635722 /nfs/dbraw/zinc/63/57/22/1322635722.db2.gz RRZFWCSKHZIFRB-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001264184429 1322652367 /nfs/dbraw/zinc/65/23/67/1322652367.db2.gz SFWZFOFIGWBRGP-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001264643918 1322764209 /nfs/dbraw/zinc/76/42/09/1322764209.db2.gz MQELWCKWXNXVOM-AHMLNCNRSA-N 2 0 333.520 2.463 10 0 EEAERP CC(C)n1ccc(CN(C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001264986424 1322834762 /nfs/dbraw/zinc/83/47/62/1322834762.db2.gz KRWITLSAPXELIN-SFHVURJKSA-N 2 0 349.523 2.275 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCc1ccc(Cl)cc1 ZINC001265058508 1322898525 /nfs/dbraw/zinc/89/85/25/1322898525.db2.gz WNPKEZWKKZFNKY-UHFFFAOYSA-N 2 0 349.906 2.416 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001265973872 1323532923 /nfs/dbraw/zinc/53/29/23/1323532923.db2.gz CIUKSYDHBRHVGG-ROUUACIJSA-N 2 0 347.503 2.154 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3F)C2)CC1 ZINC001266009514 1323561901 /nfs/dbraw/zinc/56/19/01/1323561901.db2.gz UNENJTPBIUAIOQ-INIZCTEOSA-N 2 0 347.478 2.148 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1cnc(C)cn1 ZINC001266048951 1323598657 /nfs/dbraw/zinc/59/86/57/1323598657.db2.gz BNZKIXVOZQDJJB-INIZCTEOSA-N 2 0 347.507 2.159 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCOCc2ccccc2)C1 ZINC001266110830 1323677066 /nfs/dbraw/zinc/67/70/66/1323677066.db2.gz PXJQOFNRGUNGQZ-LJQANCHMSA-N 2 0 347.503 2.078 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1nccs1 ZINC001266228981 1323806239 /nfs/dbraw/zinc/80/62/39/1323806239.db2.gz QCOCLHBIIITWHS-HUUCEWRRSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1)[NH+](C)C ZINC001279409586 1323899222 /nfs/dbraw/zinc/89/92/22/1323899222.db2.gz DVBLUXNOVSKTCN-BBWFWOEESA-N 2 0 327.488 2.103 10 0 EEAERP CC(C)(C(=O)NCC1=CC[N@H+](CC[C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC001279607847 1323958505 /nfs/dbraw/zinc/95/85/05/1323958505.db2.gz YQQRSWUAAVWYSH-SFHVURJKSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)co1 ZINC001280242080 1324127055 /nfs/dbraw/zinc/12/70/55/1324127055.db2.gz QOZNWOGEFAADAI-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001280434350 1324223259 /nfs/dbraw/zinc/22/32/59/1324223259.db2.gz RFGBFBZUWSWZJE-IEBWSBKVSA-N 2 0 345.487 2.130 10 0 EEAERP C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282231018 1325657609 /nfs/dbraw/zinc/65/76/09/1325657609.db2.gz STJVAMKKPAVBPM-CVEARBPZSA-N 2 0 335.467 2.337 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC001283174062 1325944238 /nfs/dbraw/zinc/94/42/38/1325944238.db2.gz PSAPFNZZTSBBRL-CXAGYDPISA-N 2 0 348.491 2.008 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283174192 1325944448 /nfs/dbraw/zinc/94/44/48/1325944448.db2.gz RARKULBAQPWCMN-DNVCBOLYSA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001283663670 1326190067 /nfs/dbraw/zinc/19/00/67/1326190067.db2.gz FEOAGTPVERAAIB-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP CN(C[C@@H](O)C[NH2+]CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001284477947 1326575473 /nfs/dbraw/zinc/57/54/73/1326575473.db2.gz RNAZOCDMXULBEU-SFHVURJKSA-N 2 0 349.519 2.207 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](CCCCCF)CC1 ZINC001284949835 1326791024 /nfs/dbraw/zinc/79/10/24/1326791024.db2.gz XCXKLZDOXGFUOD-KRWDZBQOSA-N 2 0 325.472 2.359 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2cccc(F)c2)CC1 ZINC001284978097 1326807133 /nfs/dbraw/zinc/80/71/33/1326807133.db2.gz PEVAJJPNFIJIOE-UHFFFAOYSA-N 2 0 333.451 2.416 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)ccc1C ZINC001491947256 1330338753 /nfs/dbraw/zinc/33/87/53/1330338753.db2.gz SOXXNJJNRFGWOV-GOSISDBHSA-N 2 0 347.503 2.378 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccc(F)cn1 ZINC001492144000 1331005508 /nfs/dbraw/zinc/00/55/08/1331005508.db2.gz OQUSXVOISNTGSQ-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001316862593 1331695546 /nfs/dbraw/zinc/69/55/46/1331695546.db2.gz JJYDVFQMXCGJPT-OAHLLOKOSA-N 2 0 333.451 2.421 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc2c(c1)CCC2 ZINC001316815017 1331909809 /nfs/dbraw/zinc/90/98/09/1331909809.db2.gz QYHYUGGWKQBIQX-IBGZPJMESA-N 2 0 329.488 2.208 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC001316845092 1331930328 /nfs/dbraw/zinc/93/03/28/1331930328.db2.gz CPQLWBWRDSNWTO-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP O=C(NC1CCC([NH2+]CCCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001317216781 1332140306 /nfs/dbraw/zinc/14/03/06/1332140306.db2.gz GSJLYRKEPVZNEO-UHFFFAOYSA-N 2 0 325.472 2.239 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001317281018 1332163771 /nfs/dbraw/zinc/16/37/71/1332163771.db2.gz BIMLIKHHGSSSDP-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001317344705 1332188208 /nfs/dbraw/zinc/18/82/08/1332188208.db2.gz UFTINSRGHJQUIK-CVEARBPZSA-N 2 0 336.480 2.214 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCOCC(C)C ZINC001317512716 1332275914 /nfs/dbraw/zinc/27/59/14/1332275914.db2.gz CKYMLCYXRSHNLI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001317646845 1332346564 /nfs/dbraw/zinc/34/65/64/1332346564.db2.gz NOPCGOWWPBNGDF-UHFFFAOYSA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cnn(C)c1 ZINC001317695347 1332377014 /nfs/dbraw/zinc/37/70/14/1332377014.db2.gz NOQSVXSTJZMGCN-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC001317722293 1332388896 /nfs/dbraw/zinc/38/88/96/1332388896.db2.gz QDXGPBYLHGLKPB-RBUKOAKNSA-N 2 0 345.487 2.097 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317844651 1332429438 /nfs/dbraw/zinc/42/94/38/1332429438.db2.gz AKYSSNGWBHHNJX-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C(=O)NCC1C[NH+](CCCCCF)C1)[NH+]1CCCCCC1 ZINC001318158764 1332480191 /nfs/dbraw/zinc/48/01/91/1332480191.db2.gz IKMHDZIXHHBRSW-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001318485262 1332549727 /nfs/dbraw/zinc/54/97/27/1332549727.db2.gz PQASATDMFGTSAM-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(C)c1 ZINC001318602006 1332566395 /nfs/dbraw/zinc/56/63/95/1332566395.db2.gz FKCICUGVLCVTGH-OALUTQOASA-N 2 0 331.504 2.364 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001318829312 1332605948 /nfs/dbraw/zinc/60/59/48/1332605948.db2.gz YWTNXPWGTBXERQ-QGZVFWFLSA-N 2 0 344.503 2.142 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]C[C@H]2CCCCO2)C1 ZINC001318845999 1332610200 /nfs/dbraw/zinc/61/02/00/1332610200.db2.gz QWUVEZXTDKZNDJ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001318860753 1332613534 /nfs/dbraw/zinc/61/35/34/1332613534.db2.gz ONWIAOJDCDVRFE-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccc(F)c(F)c1)[NH+](C)C ZINC001319478756 1332709128 /nfs/dbraw/zinc/70/91/28/1332709128.db2.gz VFOBRKRHRZESKH-SUMWQHHRSA-N 2 0 341.446 2.284 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320770535 1332949821 /nfs/dbraw/zinc/94/98/21/1332949821.db2.gz ZDQOUNKXCDZEER-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1F ZINC001321065560 1333009207 /nfs/dbraw/zinc/00/92/07/1333009207.db2.gz BFEHUSLDIUKPMS-QJGZVHSTSA-N 2 0 333.451 2.489 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321121644 1333024145 /nfs/dbraw/zinc/02/41/45/1333024145.db2.gz VMPUHXUEGRYOMR-DKFQHHCZSA-N 2 0 347.507 2.019 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1Cl ZINC001321222014 1333047716 /nfs/dbraw/zinc/04/77/16/1333047716.db2.gz JEGGRMYJMRAMEB-ONEGZZNKSA-N 2 0 327.831 2.193 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001321285195 1333064332 /nfs/dbraw/zinc/06/43/32/1333064332.db2.gz JWFKNVNHPKLSQM-HSSFLUBNSA-N 2 0 348.516 2.230 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321868178 1333170799 /nfs/dbraw/zinc/17/07/99/1333170799.db2.gz UXEFIOVPWWHDKQ-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001321955984 1333185780 /nfs/dbraw/zinc/18/57/80/1333185780.db2.gz KTAYHICWGBAEAK-LPHOPBHVSA-N 2 0 347.503 2.206 10 0 EEAERP C[C@@H](C[NH2+]CCCc1c(F)cccc1F)NC(=O)C[NH+]1CCCC1 ZINC001322080927 1333205880 /nfs/dbraw/zinc/20/58/80/1333205880.db2.gz XTDYMHZJJUPVJN-AWEZNQCLSA-N 2 0 339.430 2.088 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322373590 1333255838 /nfs/dbraw/zinc/25/58/38/1333255838.db2.gz YNVARAHIJRHQNJ-OALUTQOASA-N 2 0 347.503 2.273 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)sn1 ZINC001322591546 1333289534 /nfs/dbraw/zinc/28/95/34/1333289534.db2.gz KWEUJALVUAMLIK-UHFFFAOYSA-N 2 0 336.505 2.018 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2cnccn2)C1 ZINC001322658096 1333302545 /nfs/dbraw/zinc/30/25/45/1333302545.db2.gz RZDFTRGPZUUZNJ-IRXDYDNUSA-N 2 0 347.507 2.098 10 0 EEAERP CCCCC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001323489905 1333474927 /nfs/dbraw/zinc/47/49/27/1333474927.db2.gz NJAUWWAJFQCAIR-UHFFFAOYSA-N 2 0 327.432 2.310 10 0 EEAERP COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001323657915 1333510418 /nfs/dbraw/zinc/51/04/18/1333510418.db2.gz FBRBJLVKCMKRLL-ALOPSCKCSA-N 2 0 337.508 2.009 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCOCC1 ZINC001324993354 1333804402 /nfs/dbraw/zinc/80/44/02/1333804402.db2.gz SLJOCAQPLISLLU-SFHVURJKSA-N 2 0 349.519 2.226 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCOCC(C)C)[NH+](C)C ZINC001325923582 1333996538 /nfs/dbraw/zinc/99/65/38/1333996538.db2.gz VTOHHPZXHQLTID-FGTMMUONSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001326980498 1334196136 /nfs/dbraw/zinc/19/61/36/1334196136.db2.gz UTTRHCTUCDLARC-BHIYHBOVSA-N 2 0 349.519 2.034 10 0 EEAERP CCOCCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330263912 1334815110 /nfs/dbraw/zinc/81/51/10/1334815110.db2.gz WMLLYZQZLYZIQI-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001330432130 1334843404 /nfs/dbraw/zinc/84/34/04/1334843404.db2.gz VZQFMQRDZNPNPX-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806211 1335646084 /nfs/dbraw/zinc/64/60/84/1335646084.db2.gz WSFJSCZXKWLPFF-DLBZAZTESA-N 2 0 341.540 2.142 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332030051 1335709586 /nfs/dbraw/zinc/70/95/86/1335709586.db2.gz SGBVMUBWYWUBSP-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001333457209 1336051374 /nfs/dbraw/zinc/05/13/74/1336051374.db2.gz JBUSRZBRJXZWEG-KRWDZBQOSA-N 2 0 325.472 2.359 10 0 EEAERP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000849113787 1339145842 /nfs/dbraw/zinc/14/58/42/1339145842.db2.gz JNNAYCUGRHYSKS-GOSISDBHSA-N 2 0 344.503 2.439 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162199 1355887768 /nfs/dbraw/zinc/88/77/68/1355887768.db2.gz AVGRAXBVVUDONU-MRXNPFEDSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001436358408 1342050043 /nfs/dbraw/zinc/05/00/43/1342050043.db2.gz GRTICVJZOHAMDY-AFIMGQEJSA-N 2 0 345.478 2.431 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001670139092 1356283481 /nfs/dbraw/zinc/28/34/81/1356283481.db2.gz SPDDDULTDGSJDS-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001670249385 1356304718 /nfs/dbraw/zinc/30/47/18/1356304718.db2.gz LHSSWOGWHLCAQZ-UHFFFAOYSA-N 2 0 326.510 2.059 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001496279824 1342098244 /nfs/dbraw/zinc/09/82/44/1342098244.db2.gz PCNIVBXQXKZKAY-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP CCCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCOCC1 ZINC001502625841 1342217078 /nfs/dbraw/zinc/21/70/78/1342217078.db2.gz DWZBXWKHRSUQHV-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001502754157 1342229344 /nfs/dbraw/zinc/22/93/44/1342229344.db2.gz MCCPZCKJPHKJSB-OLZOCXBDSA-N 2 0 336.307 2.474 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)ccc1C ZINC001566678922 1342598644 /nfs/dbraw/zinc/59/86/44/1342598644.db2.gz HRFUEBOXGSHINV-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCOC)C1 ZINC001566746196 1342622645 /nfs/dbraw/zinc/62/26/45/1342622645.db2.gz CPUKHNOKJRIPIK-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001566778849 1342629406 /nfs/dbraw/zinc/62/94/06/1342629406.db2.gz BNENAIOWXABGQF-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566879333 1342647017 /nfs/dbraw/zinc/64/70/17/1342647017.db2.gz JVXVEIFVBQVREY-SJORKVTESA-N 2 0 347.507 2.098 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001566909945 1342650603 /nfs/dbraw/zinc/65/06/03/1342650603.db2.gz INIRUVIXBYCQOW-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001567051312 1342686128 /nfs/dbraw/zinc/68/61/28/1342686128.db2.gz RZYDDTISEACMOR-QGZVFWFLSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001570142605 1343015529 /nfs/dbraw/zinc/01/55/29/1343015529.db2.gz QJNZGWVMNOMSTH-RBUKOAKNSA-N 2 0 349.519 2.177 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)CC1(C)C ZINC001570907699 1343138447 /nfs/dbraw/zinc/13/84/47/1343138447.db2.gz MIERXLBYLSNCCC-QGZVFWFLSA-N 2 0 332.492 2.140 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001571527560 1343229173 /nfs/dbraw/zinc/22/91/73/1343229173.db2.gz ZTURXVSOXNGDPM-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCc1cccs1)C(C)(C)C ZINC001571632184 1343255310 /nfs/dbraw/zinc/25/53/10/1343255310.db2.gz OCXVUCHUTYDBSA-OAHLLOKOSA-N 2 0 325.522 2.363 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001676215929 1357122182 /nfs/dbraw/zinc/12/21/82/1357122182.db2.gz VJLZCEDGKVCUPW-PJYQYBKYSA-N 2 0 327.900 2.296 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)CCCCC1 ZINC001676945114 1357246714 /nfs/dbraw/zinc/24/67/14/1357246714.db2.gz HYEXEDQVQHESTO-CVEARBPZSA-N 2 0 327.488 2.343 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[Si](C)(C)c2ccccc2)CC1 ZINC001643462811 1352749298 /nfs/dbraw/zinc/74/92/98/1352749298.db2.gz VFXMSAFDYSIMEM-UHFFFAOYSA-N 2 0 333.596 2.147 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001649443546 1353508362 /nfs/dbraw/zinc/50/83/62/1353508362.db2.gz DVFWPDXXZBTVBF-WIYYLYMNSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001654216202 1354143779 /nfs/dbraw/zinc/14/37/79/1354143779.db2.gz ONVPXAVABLPDOZ-FGTMMUONSA-N 2 0 344.503 2.392 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001655815035 1354185853 /nfs/dbraw/zinc/18/58/53/1354185853.db2.gz NKWMWKTVOWYCST-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001656139189 1354207538 /nfs/dbraw/zinc/20/75/38/1354207538.db2.gz BJISKPCOVHOEDV-MJQMVNBJSA-N 2 0 349.519 2.057 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001656870673 1354288975 /nfs/dbraw/zinc/28/89/75/1354288975.db2.gz CQQSWIDDICEBAT-KRWDZBQOSA-N 2 0 327.513 2.065 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001660254206 1354426466 /nfs/dbraw/zinc/42/64/66/1354426466.db2.gz SCZXCIBUDHZWIV-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001660414445 1354460777 /nfs/dbraw/zinc/46/07/77/1354460777.db2.gz WAUIKBLZQRZVKW-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@H+](C[C@@H]2CCCCO2)C2CC2)CCC1 ZINC001660691462 1354518204 /nfs/dbraw/zinc/51/82/04/1354518204.db2.gz OTEKLJRDCCNXPJ-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nocc1C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001660727690 1354527128 /nfs/dbraw/zinc/52/71/28/1354527128.db2.gz YWOGURIRSZWSCK-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001661613886 1354665118 /nfs/dbraw/zinc/66/51/18/1354665118.db2.gz ASAZVHROWOZMJN-BBWFWOEESA-N 2 0 335.517 2.402 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001662631429 1354816327 /nfs/dbraw/zinc/81/63/27/1354816327.db2.gz YNQHIIMOAWBSFT-HSALFYBXSA-N 2 0 343.515 2.398 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001662761630 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XSIYTUDUZHBJDM-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CCOCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001666063031 1355436953 /nfs/dbraw/zinc/43/69/53/1355436953.db2.gz OEEZOMYTAHIOOZ-QFBILLFUSA-N 2 0 339.524 2.019 10 0 EEAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001666145081 1355465511 /nfs/dbraw/zinc/46/55/11/1355465511.db2.gz CZVXYBZJBCUPBE-IBGZPJMESA-N 2 0 331.504 2.399 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC(C)C ZINC001666486680 1355531340 /nfs/dbraw/zinc/53/13/40/1355531340.db2.gz SDDULYLLCZYQSR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001666568141 1355546316 /nfs/dbraw/zinc/54/63/16/1355546316.db2.gz IWLSZKPHGXBCNO-CJNGLKHVSA-N 2 0 340.899 2.163 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001667085560 1355646021 /nfs/dbraw/zinc/64/60/21/1355646021.db2.gz BCKVKZRWBSAVQZ-MGPQQGTHSA-N 2 0 337.430 2.400 10 0 EEAERP 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336.480 2.220 10 0 EEAERP Cc1ccncc1C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001671685317 1356394310 /nfs/dbraw/zinc/39/43/10/1356394310.db2.gz YULJIWWNNPXAHB-IBGZPJMESA-N 2 0 332.492 2.203 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001672306371 1356498347 /nfs/dbraw/zinc/49/83/47/1356498347.db2.gz VPOFTXZYIWLDIH-WMZOPIPTSA-N 2 0 349.494 2.394 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001672857875 1356600398 /nfs/dbraw/zinc/60/03/98/1356600398.db2.gz FYAIMPPPABMJQY-CYBMUJFWSA-N 2 0 348.318 2.475 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001674804542 1356899008 /nfs/dbraw/zinc/89/90/08/1356899008.db2.gz LDJLQVQQHLOEMQ-UHFFFAOYSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001699545129 1405379509 /nfs/dbraw/zinc/37/95/09/1405379509.db2.gz FWWKMDBGHINMHS-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)o1 ZINC001699551653 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HJWBGKFDQHLPAL-ZWKOTPCHSA-N 2 0 332.492 2.101 10 0 EEAERP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000713271241 794559926 /nfs/dbraw/zinc/55/99/26/794559926.db2.gz VAANUEJKWMNXSS-UWVAXJGDSA-N 2 0 327.472 2.237 10 0 EEAERP C[C@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000913951773 794645652 /nfs/dbraw/zinc/64/56/52/794645652.db2.gz MSNRUBDOUVYPJB-MAUKXSAKSA-N 2 0 330.476 2.174 10 0 EEAERP CCN1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1=O ZINC000716713307 796444445 /nfs/dbraw/zinc/44/44/45/796444445.db2.gz OFISEJDXBQRJAG-RDGPPVDQSA-N 2 0 327.472 2.250 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001566070649 1125543529 /nfs/dbraw/zinc/54/35/29/1125543529.db2.gz BURMHQHHSJZWOT-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001566225070 1125590892 /nfs/dbraw/zinc/59/08/92/1125590892.db2.gz IBLDYBTTZKJOCJ-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001566462879 1125622817 /nfs/dbraw/zinc/62/28/17/1125622817.db2.gz DCLBWUKJQDBKIV-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCc1ccc(Cl)cc1 ZINC001566516334 1125687010 /nfs/dbraw/zinc/68/70/10/1125687010.db2.gz HOUDLVKUCDLMJZ-MRXNPFEDSA-N 2 0 337.895 2.272 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CCc1c(F)cccc1F ZINC001566516490 1125687655 /nfs/dbraw/zinc/68/76/55/1125687655.db2.gz NGTLNSBQUUYLKG-UHFFFAOYSA-N 2 0 339.430 2.041 10 0 EEAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1scnc1C ZINC001566564018 1125738493 /nfs/dbraw/zinc/73/84/93/1125738493.db2.gz PYPWJITZSHGXEQ-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001436474701 1087940854 /nfs/dbraw/zinc/94/08/54/1087940854.db2.gz IKMQPOUUOWNLAX-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP CC(C)OCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001436670854 1088112784 /nfs/dbraw/zinc/11/27/84/1088112784.db2.gz FDHXGAXOVMEAOL-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001436758414 1088264362 /nfs/dbraw/zinc/26/43/62/1088264362.db2.gz BCKUWNCGBRORSC-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001436923699 1088584253 /nfs/dbraw/zinc/58/42/53/1088584253.db2.gz WSTYDMCUSNCINA-BRWVUGGUSA-N 2 0 325.472 2.093 10 0 EEAERP Cc1cncc(CN2CCCC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001437036173 1088876110 /nfs/dbraw/zinc/87/61/10/1088876110.db2.gz IRFWSJWYFOQFQD-QFBILLFUSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2cncs2)C1 ZINC001437067096 1088993540 /nfs/dbraw/zinc/99/35/40/1088993540.db2.gz QQBVWEIHZQZPGA-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC(F)(F)C1 ZINC001437176869 1089209588 /nfs/dbraw/zinc/20/95/88/1089209588.db2.gz ZCPXVRVKAJFAAO-ZDUSSCGKSA-N 2 0 329.435 2.002 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1)[NH+]1CCCCCC1 ZINC001437211855 1089290258 /nfs/dbraw/zinc/29/02/58/1089290258.db2.gz FTWQEUASEBBJKF-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001437399717 1089661449 /nfs/dbraw/zinc/66/14/49/1089661449.db2.gz RLIPOXOGLANJCS-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001437613371 1090120779 /nfs/dbraw/zinc/12/07/79/1090120779.db2.gz BHLYDFZBRJBPNA-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001437728039 1090284712 /nfs/dbraw/zinc/28/47/12/1090284712.db2.gz OGVBJAXUXGBQMT-DOTOQJQBSA-N 2 0 347.478 2.414 10 0 EEAERP CCc1cccc(C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001437812957 1090406509 /nfs/dbraw/zinc/40/65/09/1090406509.db2.gz DQVFEDVOCDMPBK-UHFFFAOYSA-N 2 0 341.499 2.425 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)cc1F ZINC001437938287 1090532284 /nfs/dbraw/zinc/53/22/84/1090532284.db2.gz DKKZNZCYAJEZET-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001437963998 1090559380 /nfs/dbraw/zinc/55/93/80/1090559380.db2.gz ZGAWNJCJFOFKPU-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001437984564 1090577386 /nfs/dbraw/zinc/57/73/86/1090577386.db2.gz BOULHLUMZQSBCT-APWZRJJASA-N 2 0 329.488 2.406 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001438273294 1090758301 /nfs/dbraw/zinc/75/83/01/1090758301.db2.gz SNZAYYJTGOCMHS-JKSUJKDBSA-N 2 0 343.462 2.440 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001438650345 1091134725 /nfs/dbraw/zinc/13/47/25/1091134725.db2.gz ZSBWLUGICUQCCZ-QAPCUYQASA-N 2 0 347.478 2.412 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001438652256 1091137889 /nfs/dbraw/zinc/13/78/89/1091137889.db2.gz NTANYZUIWMPSNE-CZUORRHYSA-N 2 0 336.480 2.101 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001438655378 1091142090 /nfs/dbraw/zinc/14/20/90/1091142090.db2.gz VXCPPYQZHCFYST-CXAGYDPISA-N 2 0 336.480 2.101 10 0 EEAERP C[C@@H](C[NH2+]Cc1cscc1Br)NC(=O)CC[NH+](C)C ZINC001445612431 1091406898 /nfs/dbraw/zinc/40/68/98/1091406898.db2.gz KSQHERKVEKJBLQ-JTQLQIEISA-N 2 0 348.310 2.057 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001438838905 1091466073 /nfs/dbraw/zinc/46/60/73/1091466073.db2.gz IKWHCJFNLIZWHF-LJQANCHMSA-N 2 0 345.487 2.043 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC[C@H]1CCCCO1 ZINC001438876150 1091521872 /nfs/dbraw/zinc/52/18/72/1091521872.db2.gz LOMGVWJRFMZPJX-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001445863176 1091782107 /nfs/dbraw/zinc/78/21/07/1091782107.db2.gz AIBFBVGHMPELAE-KRWDZBQOSA-N 2 0 331.504 2.324 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001445877597 1091804468 /nfs/dbraw/zinc/80/44/68/1091804468.db2.gz YTSHQXLUZBAWII-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001439212984 1091855543 /nfs/dbraw/zinc/85/55/43/1091855543.db2.gz GPWFMIGCLDTVCN-BBRMVZONSA-N 2 0 336.505 2.144 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439269919 1091928347 /nfs/dbraw/zinc/92/83/47/1091928347.db2.gz WTOLAVYPQUGXTC-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCc2ccccc2F)CC1 ZINC001439676460 1092617204 /nfs/dbraw/zinc/61/72/04/1092617204.db2.gz MEJCLCOUAUEPBP-IYBDPMFKSA-N 2 0 347.478 2.479 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001439820224 1092805931 /nfs/dbraw/zinc/80/59/31/1092805931.db2.gz IJLBAOWHSTUWLY-IKGGRYGDSA-N 2 0 327.488 2.388 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001439830593 1092820409 /nfs/dbraw/zinc/82/04/09/1092820409.db2.gz PACJSYBRPCLASH-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001439849209 1092864156 /nfs/dbraw/zinc/86/41/56/1092864156.db2.gz JYDKCPXLTQHDQI-KDOFPFPSSA-N 2 0 335.517 2.479 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001440116625 1093177556 /nfs/dbraw/zinc/17/75/56/1093177556.db2.gz FYCBJYVNCOVNQO-FUHWJXTLSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001440197188 1093266589 /nfs/dbraw/zinc/26/65/89/1093266589.db2.gz WTWDIXIKDIIQDE-KURKYZTESA-N 2 0 339.524 2.063 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2)cc1 ZINC001440224876 1093304808 /nfs/dbraw/zinc/30/48/08/1093304808.db2.gz RGFAFTWSBPVTRB-SJLPKXTDSA-N 2 0 347.503 2.330 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001440241467 1093329301 /nfs/dbraw/zinc/32/93/01/1093329301.db2.gz JHJUUGQGDKBQFY-WMZOPIPTSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001440337266 1093482614 /nfs/dbraw/zinc/48/26/14/1093482614.db2.gz ICJRGQTWMSSHRQ-IRXDYDNUSA-N 2 0 344.503 2.249 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001448471350 1093484579 /nfs/dbraw/zinc/48/45/79/1093484579.db2.gz BEVWBHOXCPMFOM-HNNXBMFYSA-N 2 0 325.472 2.001 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@]2(C)CN(Cc3ccon3)C[C@@]2(C)C1 ZINC001448474863 1093491245 /nfs/dbraw/zinc/49/12/45/1093491245.db2.gz BJECAADDUHRHHB-KDURUIRLSA-N 2 0 348.491 2.077 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C2)on1 ZINC001440534617 1093797747 /nfs/dbraw/zinc/79/77/47/1093797747.db2.gz MPJWCGZIKAWCFP-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001448730812 1093801236 /nfs/dbraw/zinc/80/12/36/1093801236.db2.gz VJADYJNAGNKQFH-ROUUACIJSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CC[NH+](C)C)C3)o1 ZINC001440537524 1093802380 /nfs/dbraw/zinc/80/23/80/1093802380.db2.gz KICHCKFAEUXWMQ-LPHOPBHVSA-N 2 0 348.491 2.310 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001440598968 1093862907 /nfs/dbraw/zinc/86/29/07/1093862907.db2.gz ZCNPNEVZMSVATH-BLLLJJGKSA-N 2 0 338.521 2.037 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(CO)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001440697749 1093948700 /nfs/dbraw/zinc/94/87/00/1093948700.db2.gz BBDPBFFSRLJTJP-KRWDZBQOSA-N 2 0 347.503 2.031 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C(C)C)cc1 ZINC001440748815 1093994665 /nfs/dbraw/zinc/99/46/65/1093994665.db2.gz MVMOTZPSXFEEOL-SFHVURJKSA-N 2 0 347.503 2.458 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001440805376 1094051883 /nfs/dbraw/zinc/05/18/83/1094051883.db2.gz ZYDFDTJOYZKKCC-QWHCGFSZSA-N 2 0 339.430 2.432 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440813277 1094065778 /nfs/dbraw/zinc/06/57/78/1094065778.db2.gz CREUTJMYKHSUBQ-UONOGXRCSA-N 2 0 336.480 2.094 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001449051281 1094065901 /nfs/dbraw/zinc/06/59/01/1094065901.db2.gz BDPMQXWTPAOSBK-JKSUJKDBSA-N 2 0 336.480 2.006 10 0 EEAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001449077129 1094091136 /nfs/dbraw/zinc/09/11/36/1094091136.db2.gz JFMSBLLNTDGCAF-UKRRQHHQSA-N 2 0 349.441 2.353 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2nocc2C)CC1 ZINC001440856760 1094116858 /nfs/dbraw/zinc/11/68/58/1094116858.db2.gz IHQQHDWTBZMNRO-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC[C@H]1CCCCO1 ZINC001440954670 1094208804 /nfs/dbraw/zinc/20/88/04/1094208804.db2.gz NGAXATFHUYDPLB-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCOc1ccccc1 ZINC001440957970 1094212812 /nfs/dbraw/zinc/21/28/12/1094212812.db2.gz UKWQDOCWPQOHIR-KRWDZBQOSA-N 2 0 347.503 2.376 10 0 EEAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)[C@H](C)c1ccccc1 ZINC001440997389 1094264783 /nfs/dbraw/zinc/26/47/83/1094264783.db2.gz SYDMKNPNEFOEKY-IAGOWNOFSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001449372704 1094341274 /nfs/dbraw/zinc/34/12/74/1094341274.db2.gz MGFHSSYYADOOEF-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1)OC ZINC001441106897 1094417314 /nfs/dbraw/zinc/41/73/14/1094417314.db2.gz POKQFWZCRSYJJZ-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CC1 ZINC001441254521 1094652082 /nfs/dbraw/zinc/65/20/82/1094652082.db2.gz JVRIMNZMKZBCAE-HOTGVXAUSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001441286108 1094713660 /nfs/dbraw/zinc/71/36/60/1094713660.db2.gz DDEZXIJBYPSMRW-VJDPLVQDSA-N 2 0 343.515 2.439 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)c(C)n1 ZINC001441361100 1094880931 /nfs/dbraw/zinc/88/09/31/1094880931.db2.gz SDGLZNGDZDLUEU-IBGZPJMESA-N 2 0 344.503 2.265 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1)[NH+](C)C ZINC001441382296 1094924827 /nfs/dbraw/zinc/92/48/27/1094924827.db2.gz YXGZJLYMJLNHLB-BQFCYCMXSA-N 2 0 335.467 2.459 10 0 EEAERP CO[C@@H](C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1)C1CCCC1 ZINC001441387705 1094939321 /nfs/dbraw/zinc/93/93/21/1094939321.db2.gz QCEXTTGMQAAMRC-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001441527957 1095233744 /nfs/dbraw/zinc/23/37/44/1095233744.db2.gz ZDHMANLJBZEMGN-IYBDPMFKSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001441594072 1095430899 /nfs/dbraw/zinc/43/08/99/1095430899.db2.gz QWRPHQDYIZLXNI-AWEZNQCLSA-N 2 0 336.455 2.032 10 0 EEAERP CC[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001441645754 1095585461 /nfs/dbraw/zinc/58/54/61/1095585461.db2.gz NWLIETGGNCOQJS-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1C ZINC001441858567 1095956364 /nfs/dbraw/zinc/95/63/64/1095956364.db2.gz HSIQEEZPFOKYKQ-QAPCUYQASA-N 2 0 347.503 2.472 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001441876054 1095994438 /nfs/dbraw/zinc/99/44/38/1095994438.db2.gz YMBMABCETLLGMN-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001441927587 1096114612 /nfs/dbraw/zinc/11/46/12/1096114612.db2.gz FLMGJVPNLUKMED-UONOGXRCSA-N 2 0 337.430 2.209 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(F)c1Cl ZINC001441932905 1096123217 /nfs/dbraw/zinc/12/32/17/1096123217.db2.gz FLAIKAFVGRZBQF-GFCCVEGCSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1Cl ZINC001442016050 1096221501 /nfs/dbraw/zinc/22/15/01/1096221501.db2.gz YHTNBCKJYQHCSV-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1conc1C)c1ccccc1 ZINC001442021581 1096228183 /nfs/dbraw/zinc/22/81/83/1096228183.db2.gz QSJOWERCWVMCNI-KSSFIOAISA-N 2 0 344.459 2.270 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001442153098 1096407012 /nfs/dbraw/zinc/40/70/12/1096407012.db2.gz VWKKJQVBICBLLR-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP CC(C)OCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001442208049 1096494881 /nfs/dbraw/zinc/49/48/81/1096494881.db2.gz HVBFMDQAFZNCQH-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(N[C@H]1CCC[C@H]([NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001442210870 1096499850 /nfs/dbraw/zinc/49/98/50/1096499850.db2.gz SMGYEYSXSXUQEH-STQMWFEESA-N 2 0 346.302 2.418 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001442409724 1096731946 /nfs/dbraw/zinc/73/19/46/1096731946.db2.gz IFWFWAVXXUQBOW-HDMKZQKVSA-N 2 0 333.476 2.144 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cncc(C)c1 ZINC001442756958 1097133696 /nfs/dbraw/zinc/13/36/96/1097133696.db2.gz QVMDNFQCMJNZMZ-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001442909460 1097315994 /nfs/dbraw/zinc/31/59/94/1097315994.db2.gz UYUWXRLXDSBVFD-QZTJIDSGSA-N 2 0 347.478 2.414 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](C[C@H]1CCCCO1)C1CC1 ZINC001443010073 1097425067 /nfs/dbraw/zinc/42/50/67/1097425067.db2.gz UQDVZEXKRYFKRX-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001443268323 1097750404 /nfs/dbraw/zinc/75/04/04/1097750404.db2.gz JESFZTCOICSLMB-GOSISDBHSA-N 2 0 329.488 2.419 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@H]1CCCCO1 ZINC001443956869 1098476545 /nfs/dbraw/zinc/47/65/45/1098476545.db2.gz BBGQKHMKXZUKIV-DLBZAZTESA-N 2 0 339.524 2.304 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479687280 1098748605 /nfs/dbraw/zinc/74/86/05/1098748605.db2.gz DBKMCDDTAQMFGU-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001444327006 1098890461 /nfs/dbraw/zinc/89/04/61/1098890461.db2.gz QZAAXIDPMOYVBI-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP COCc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001444326994 1098891804 /nfs/dbraw/zinc/89/18/04/1098891804.db2.gz QZAAXIDPMOYVBI-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001444440854 1099075041 /nfs/dbraw/zinc/07/50/41/1099075041.db2.gz NLHQYPBBPVGXRV-DNVCBOLYSA-N 2 0 346.519 2.415 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1nc(C)c(C)s1 ZINC001479861342 1099176051 /nfs/dbraw/zinc/17/60/51/1099176051.db2.gz OASNWXJIJBSXMZ-UHFFFAOYSA-N 2 0 338.521 2.184 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001444633426 1099461122 /nfs/dbraw/zinc/46/11/22/1099461122.db2.gz YFGRBPTYOMNHFQ-GOEBONIOSA-N 2 0 348.491 2.363 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]Cc1ccns1)C1CC1 ZINC001480026223 1099510751 /nfs/dbraw/zinc/51/07/51/1099510751.db2.gz CSWKKDQNZKLAJS-GOEBONIOSA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001480051024 1099561204 /nfs/dbraw/zinc/56/12/04/1099561204.db2.gz MZBGEXJNYSHDKJ-RBUKOAKNSA-N 2 0 344.503 2.329 10 0 EEAERP O=C(NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001480060450 1099584984 /nfs/dbraw/zinc/58/49/84/1099584984.db2.gz QGHMIWIHPVYGLI-KRWDZBQOSA-N 2 0 331.504 2.147 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CCc1ccccc1Cl)C1CC1 ZINC001480063965 1099594896 /nfs/dbraw/zinc/59/48/96/1099594896.db2.gz MFYLXUFVZBCXQU-SFHVURJKSA-N 2 0 349.906 2.463 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001444723702 1099596231 /nfs/dbraw/zinc/59/62/31/1099596231.db2.gz QCYBDVQQSXWEHY-CQSZACIVSA-N 2 0 338.496 2.383 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001480120063 1099684659 /nfs/dbraw/zinc/68/46/59/1099684659.db2.gz COBLVPDUANPCJP-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccn2)C2CCCCC2)C1 ZINC001444800862 1099719671 /nfs/dbraw/zinc/71/96/71/1099719671.db2.gz YMMFAMLFXCZPGL-IEBWSBKVSA-N 2 0 344.503 2.188 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1)[NH+](C)C ZINC001480167473 1099742523 /nfs/dbraw/zinc/74/25/23/1099742523.db2.gz PIMNNTKGBJGMMN-JFIYKMOQSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001444887737 1099920055 /nfs/dbraw/zinc/92/00/55/1099920055.db2.gz FMGFKRBUKHTWQA-IEZWGBDMSA-N 2 0 346.519 2.351 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)[C@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001444984629 1100111737 /nfs/dbraw/zinc/11/17/37/1100111737.db2.gz BAALAVGXAOAAQH-OWCLPIDISA-N 2 0 336.480 2.165 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001480384430 1100181534 /nfs/dbraw/zinc/18/15/34/1100181534.db2.gz WBFWNPKXBJKXCI-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001480388256 1100190284 /nfs/dbraw/zinc/19/02/84/1100190284.db2.gz WQMYHWPAGVWUKC-WBVHZDCISA-N 2 0 348.466 2.033 10 0 EEAERP CN(CC[N@H+](C)C/C=C\c1ccccc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001445060361 1100247846 /nfs/dbraw/zinc/24/78/46/1100247846.db2.gz AOEGDHCQERJXET-JNLAIUADSA-N 2 0 329.488 2.432 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)C12CC[NH+](CC1)C2 ZINC001445332754 1100569684 /nfs/dbraw/zinc/56/96/84/1100569684.db2.gz YQWXICHYLLKDKF-OAHLLOKOSA-N 2 0 333.451 2.421 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496206840 1100748853 /nfs/dbraw/zinc/74/88/53/1100748853.db2.gz LXMQHILKPRGMEI-SJLPKXTDSA-N 2 0 343.515 2.454 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2cc(C3CC3)no2)CCCC1 ZINC001495188318 1100866768 /nfs/dbraw/zinc/86/67/68/1100866768.db2.gz VXHWIQSXFWDCHA-UHFFFAOYSA-N 2 0 334.464 2.022 10 0 EEAERP CCc1nc(C)c(C[NH+]2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001446480237 1100910388 /nfs/dbraw/zinc/91/03/88/1100910388.db2.gz YIYFDJSVUHPVHJ-UHFFFAOYSA-N 2 0 348.491 2.112 10 0 EEAERP Cc1cccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c1 ZINC001495233856 1100923339 /nfs/dbraw/zinc/92/33/39/1100923339.db2.gz NAFDHJYRZCKZFJ-ICSRJNTNSA-N 2 0 329.488 2.464 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(OC)cc2)C1)[NH+](C)C ZINC001446530307 1100988854 /nfs/dbraw/zinc/98/88/54/1100988854.db2.gz YQPIWFKDSCFSDG-MJGOQNOKSA-N 2 0 333.476 2.116 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496413878 1101006330 /nfs/dbraw/zinc/00/63/30/1101006330.db2.gz JWHHYSDMJAFYAN-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449643 1101042188 /nfs/dbraw/zinc/04/21/88/1101042188.db2.gz PCDWREBAIWERNL-GOEBONIOSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)on1 ZINC001495360980 1101075896 /nfs/dbraw/zinc/07/58/96/1101075896.db2.gz VUTLFJGACLQTDK-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001496534707 1101134600 /nfs/dbraw/zinc/13/46/00/1101134600.db2.gz PXQDPZFFXNZYOT-IRXDYDNUSA-N 2 0 339.430 2.289 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)C1 ZINC001495431896 1101150064 /nfs/dbraw/zinc/15/00/64/1101150064.db2.gz CWPZJUNLBPBTSC-SFHVURJKSA-N 2 0 344.503 2.142 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)CCc3c[nH]cn3)CCCC2)sn1 ZINC001495919516 1101764477 /nfs/dbraw/zinc/76/44/77/1101764477.db2.gz WQCIIWURXWSNIF-UHFFFAOYSA-N 2 0 347.488 2.326 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2conc2C)C1 ZINC001496142472 1102128781 /nfs/dbraw/zinc/12/87/81/1102128781.db2.gz AVBPWDIRBVXAPZ-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]C[C@H]2CCCOC2)ccc2c[nH+]cn21 ZINC001497220079 1102145415 /nfs/dbraw/zinc/14/54/15/1102145415.db2.gz IIDORLJJDNTHGG-GDBMZVCRSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497269234 1102226328 /nfs/dbraw/zinc/22/63/28/1102226328.db2.gz XJHFRIVKPPHLEK-HOTGVXAUSA-N 2 0 341.540 2.264 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497275386 1102238357 /nfs/dbraw/zinc/23/83/57/1102238357.db2.gz HLKRJADKDQYLDF-WBVHZDCISA-N 2 0 336.480 2.230 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497329356 1102332599 /nfs/dbraw/zinc/33/25/99/1102332599.db2.gz BDHCKKXGZXOQPL-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP CN(CCC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)C1([NH+](C)C)CCC1 ZINC001447336431 1102471564 /nfs/dbraw/zinc/47/15/64/1102471564.db2.gz 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CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](Cc2cncs2)CC1 ZINC001508066666 1115409453 /nfs/dbraw/zinc/40/94/53/1115409453.db2.gz TUESCDGXXGKFEU-CQSZACIVSA-N 2 0 338.521 2.202 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C(Cl)=C/Cl)C1 ZINC001508141713 1115426624 /nfs/dbraw/zinc/42/66/24/1115426624.db2.gz SAKXBIFHRMZITA-FYQGRJRESA-N 2 0 334.291 2.226 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001568076408 1124281327 /nfs/dbraw/zinc/28/13/27/1124281327.db2.gz NXITYMQKDDFYDI-HKUYNNGSSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCCC1 ZINC001568234863 1124377271 /nfs/dbraw/zinc/37/72/71/1124377271.db2.gz GOTLKJDKMRYPAZ-IRXDYDNUSA-N 2 0 339.524 2.039 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568274343 1124398715 /nfs/dbraw/zinc/39/87/15/1124398715.db2.gz ULUHGUSPEXPMBZ-FXAWDEMLSA-N 2 0 343.515 2.316 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001568346147 1124429848 /nfs/dbraw/zinc/42/98/48/1124429848.db2.gz ZSYOLDVGDSQSID-RYQLBKOJSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001568367540 1124440855 /nfs/dbraw/zinc/44/08/55/1124440855.db2.gz HNZMDGCBGAFMDN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001568397529 1124467951 /nfs/dbraw/zinc/46/79/51/1124467951.db2.gz CFPKZKFKTHVEAW-RDJZCZTQSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001568401753 1124471399 /nfs/dbraw/zinc/47/13/99/1124471399.db2.gz YBHHKNQGCUORJK-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001568428239 1124496081 /nfs/dbraw/zinc/49/60/81/1124496081.db2.gz DSGQCCWLKFVVAE-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)(C)CC[NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001568870345 1124898024 /nfs/dbraw/zinc/89/80/24/1124898024.db2.gz BKAJJCIGRMUGOA-VOTSOKGWSA-N 2 0 339.524 2.043 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001568930885 1124961861 /nfs/dbraw/zinc/96/18/61/1124961861.db2.gz PZFGLKADBGXZQH-SNAWJCMRSA-N 2 0 344.503 2.192 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001569075836 1125082483 /nfs/dbraw/zinc/08/24/83/1125082483.db2.gz HDAVSWJGCXENSI-BZSNNMDCSA-N 2 0 347.503 2.198 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569213743 1125169986 /nfs/dbraw/zinc/16/99/86/1125169986.db2.gz KPDPDHXMKHFRJE-CABCVRRESA-N 2 0 336.505 2.098 10 0 EEAERP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090938871 539377860 /nfs/dbraw/zinc/37/78/60/539377860.db2.gz WZLXRPNUJYFVRV-GJZGRUSLSA-N 2 0 328.460 2.105 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000375056039 283125025 /nfs/dbraw/zinc/12/50/25/283125025.db2.gz VRJXTMAZZWNVIA-ROUUACIJSA-N 2 0 346.450 2.132 10 0 EEAERP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]2CCC[C@@H]21 ZINC000353611730 283133138 /nfs/dbraw/zinc/13/31/38/283133138.db2.gz FCDURWPQDJIASI-CXQPBAHBSA-N 2 0 335.536 2.217 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066187337 201156772 /nfs/dbraw/zinc/15/67/72/201156772.db2.gz XFYMRNKFUGIAQZ-MOPGFXCFSA-N 2 0 344.503 2.039 10 0 EEAERP C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422940928 240300631 /nfs/dbraw/zinc/30/06/31/240300631.db2.gz NVMBUYNWOSCALF-APWZRJJASA-N 2 0 329.488 2.340 10 0 EEAERP CC[NH2+]Cc1cc(Br)cnc1OCC[NH+]1CCCC1 ZINC000051548964 205555007 /nfs/dbraw/zinc/55/50/07/205555007.db2.gz GLOIOMIOOKZYRW-UHFFFAOYSA-N 2 0 328.254 2.428 10 0 EEAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000495095964 247065446 /nfs/dbraw/zinc/06/54/46/247065446.db2.gz YWWQUECFFUKGHL-QZTJIDSGSA-N 2 0 329.488 2.198 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000266003578 248019566 /nfs/dbraw/zinc/01/95/66/248019566.db2.gz QGACEYHEFUHAQA-JKSUJKDBSA-N 2 0 333.476 2.182 10 0 EEAERP Cc1cn2cc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)ccc2n1 ZINC000266602138 248378250 /nfs/dbraw/zinc/37/82/50/248378250.db2.gz SGVQRCYFUQXXMI-QGZVFWFLSA-N 2 0 330.432 2.374 10 0 EEAERP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268541182 252008770 /nfs/dbraw/zinc/00/87/70/252008770.db2.gz TUJUSGHMYZLYLN-WMZOPIPTSA-N 2 0 332.492 2.243 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1F ZINC000339655956 285250129 /nfs/dbraw/zinc/25/01/29/285250129.db2.gz XZOSDTKTSJASCI-CYBMUJFWSA-N 2 0 327.469 2.375 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000245474838 285271782 /nfs/dbraw/zinc/27/17/82/285271782.db2.gz RGPWXEUPGKMPRD-ZWKOTPCHSA-N 2 0 332.492 2.415 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)c2coc(C[NH3+])c2)CC1 ZINC000262795216 152319308 /nfs/dbraw/zinc/31/93/08/152319308.db2.gz PGRBXSCAKXXLOI-UHFFFAOYSA-N 2 0 328.416 2.133 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354176381 153154287 /nfs/dbraw/zinc/15/42/87/153154287.db2.gz KDWYJFRCGAXMMX-LJQANCHMSA-N 3 0 325.460 2.493 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(F)c1 ZINC000246446484 160279619 /nfs/dbraw/zinc/27/96/19/160279619.db2.gz OIKNOQNLARDWIV-ZWKOTPCHSA-N 2 0 348.466 2.308 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NCCC[N@H+](C)C(C)C)cc2)CC1 ZINC000344733638 161240866 /nfs/dbraw/zinc/24/08/66/161240866.db2.gz WBHAKZCTCVBFCA-UHFFFAOYSA-N 2 0 346.519 2.289 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCC1CC1 ZINC000360335949 164287243 /nfs/dbraw/zinc/28/72/43/164287243.db2.gz ISVQOEBJZRDRBR-UXPWSPDFSA-N 2 0 332.488 2.274 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291621967 275323812 /nfs/dbraw/zinc/32/38/12/275323812.db2.gz RSXVHRIYTLDCGH-UHFFFAOYSA-N 2 0 345.409 2.480 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)C(=O)NCC[NH+](C)C ZINC000347248736 275598681 /nfs/dbraw/zinc/59/86/81/275598681.db2.gz MEVHRKRBVUDVHM-WMZOPIPTSA-N 2 0 348.535 2.496 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000354186405 279301437 /nfs/dbraw/zinc/30/14/37/279301437.db2.gz FYMVSKYJALKJII-QGZVFWFLSA-N 2 0 329.488 2.425 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000170829741 289383158 /nfs/dbraw/zinc/38/31/58/289383158.db2.gz SUSWMPCOESCJHC-ZWKOTPCHSA-N 2 0 330.476 2.169 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@H]1c1ccccc1 ZINC000333658705 312179079 /nfs/dbraw/zinc/17/90/79/312179079.db2.gz WSNDSWJKCKKOMH-VPAKFMSCSA-N 2 0 342.487 2.201 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@@]1(C)C[NH3+] ZINC000414878268 313105038 /nfs/dbraw/zinc/10/50/38/313105038.db2.gz GXTRFNHVHCZIOY-RDTXWAMCSA-N 2 0 334.464 2.076 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416808439 313321867 /nfs/dbraw/zinc/32/18/67/313321867.db2.gz OVRJWSGPNIURJH-WFFDWFOESA-N 2 0 330.476 2.214 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000416847282 313335273 /nfs/dbraw/zinc/33/52/73/313335273.db2.gz VFXAPXQAMWVVQU-MOPGFXCFSA-N 2 0 344.503 2.388 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000416972742 313378195 /nfs/dbraw/zinc/37/81/95/313378195.db2.gz STQXGHULNMHVMW-QAPCUYQASA-N 2 0 332.492 2.324 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000417003955 313390687 /nfs/dbraw/zinc/39/06/87/313390687.db2.gz HNTMXBRZQWCXNC-FGTMMUONSA-N 2 0 336.524 2.136 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000498014737 316332890 /nfs/dbraw/zinc/33/28/90/316332890.db2.gz KXZYLTVRDNNCQP-OFQRWUPVSA-N 2 0 338.521 2.380 10 0 EEAERP c1cnn(-c2cccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000530241291 317703227 /nfs/dbraw/zinc/70/32/27/317703227.db2.gz PPPOLOKIWVJQHT-FQEVSTJZSA-N 2 0 340.471 2.463 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000564859188 319118863 /nfs/dbraw/zinc/11/88/63/319118863.db2.gz DYTFIHJGHXMNKA-NRFANRHFSA-N 2 0 345.531 2.432 10 0 EEAERP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000573676827 319956081 /nfs/dbraw/zinc/95/60/81/319956081.db2.gz MWVCEYHQHYSBDX-UEXGIBASSA-N 2 0 345.531 2.111 10 0 EEAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000576920661 320215243 /nfs/dbraw/zinc/21/52/43/320215243.db2.gz DCPVJPJVNAGPKD-MRXNPFEDSA-N 2 0 336.455 2.123 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000577172408 320237991 /nfs/dbraw/zinc/23/79/91/320237991.db2.gz SUVWUBYOWMQXDJ-IBGZPJMESA-N 2 0 347.503 2.009 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2ccccc2)(N2CCCCC2)CC1 ZINC000581007126 324167194 /nfs/dbraw/zinc/16/71/94/324167194.db2.gz GUNTWRRSOBAQGH-FQEVSTJZSA-N 2 0 345.531 2.130 10 0 EEAERP CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347918693 465308483 /nfs/dbraw/zinc/30/84/83/465308483.db2.gz CCOQKBQJJNCOBF-HXUWFJFHSA-N 2 0 341.499 2.451 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000578866127 468271013 /nfs/dbraw/zinc/27/10/13/468271013.db2.gz IMVRIVAKKLMPHW-LJQANCHMSA-N 2 0 343.515 2.230 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000120819948 463041541 /nfs/dbraw/zinc/04/15/41/463041541.db2.gz MHYKDKATNSMOMS-QZTJIDSGSA-N 2 0 339.524 2.016 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000052518817 463084870 /nfs/dbraw/zinc/08/48/70/463084870.db2.gz NJHYDDWFWCKFHW-SFHVURJKSA-N 2 0 332.492 2.422 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C(C)C)C2CCCC2)C1 ZINC000068449156 463139323 /nfs/dbraw/zinc/13/93/23/463139323.db2.gz NZDZLSUJXJDCHS-GOSISDBHSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000138160504 463303845 /nfs/dbraw/zinc/30/38/45/463303845.db2.gz KOFHSOAGRPLOOM-MSOLQXFVSA-N 2 0 336.524 2.234 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105148670 463441393 /nfs/dbraw/zinc/44/13/93/463441393.db2.gz AUVBZGWZBKDFFS-IAGOWNOFSA-N 2 0 326.529 2.382 10 0 EEAERP Cc1ccc(CC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000124608554 463442348 /nfs/dbraw/zinc/44/23/48/463442348.db2.gz BCSZALRSYKIKPG-NRFANRHFSA-N 2 0 345.531 2.264 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000073811817 463658657 /nfs/dbraw/zinc/65/86/57/463658657.db2.gz PQYUOLGPAKJWGX-OALUTQOASA-N 2 0 344.503 2.244 10 0 EEAERP Cc1cc(C)c(N2CC[C@H](N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C2=O)c(C)c1 ZINC000193638418 463723024 /nfs/dbraw/zinc/72/30/24/463723024.db2.gz QKYCXWGSZBLQTR-KSZLIROESA-N 2 0 327.472 2.211 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000194135758 463797854 /nfs/dbraw/zinc/79/78/54/463797854.db2.gz SGXVQUVIGCPJEU-SFHVURJKSA-N 2 0 332.492 2.292 10 0 EEAERP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261895564 463891194 /nfs/dbraw/zinc/89/11/94/463891194.db2.gz HANAHIQKAZMFJR-GUDVDZBRSA-N 2 0 333.476 2.196 10 0 EEAERP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000262157775 463959879 /nfs/dbraw/zinc/95/98/79/463959879.db2.gz TZOOLTGKZMVXRE-BZSNNMDCSA-N 2 0 331.460 2.217 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262200215 463970941 /nfs/dbraw/zinc/97/09/41/463970941.db2.gz KLIUFADUMACDMS-BXWFABGCSA-N 2 0 345.487 2.336 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000292541205 464266402 /nfs/dbraw/zinc/26/64/02/464266402.db2.gz QEJRFIJUMUJNSP-NJAFHUGGSA-N 2 0 332.492 2.460 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000237447582 464321252 /nfs/dbraw/zinc/32/12/52/464321252.db2.gz MKKGFFHAYKFTEF-LQJIQPLVSA-N 2 0 341.499 2.470 10 0 EEAERP COC(=O)N1CCC([NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000241124319 464449949 /nfs/dbraw/zinc/44/99/49/464449949.db2.gz JHILCBKPICJRBA-CRAIPNDOSA-N 2 0 346.475 2.112 10 0 EEAERP C[NH+]1CCC(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000273159795 464707033 /nfs/dbraw/zinc/70/70/33/464707033.db2.gz BRFPCIKLEUNCFF-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000348212906 465493045 /nfs/dbraw/zinc/49/30/45/465493045.db2.gz ZNESRNUTNNTITA-KSZLIROESA-N 2 0 336.524 2.377 10 0 EEAERP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226119 465655827 /nfs/dbraw/zinc/65/58/27/465655827.db2.gz AOTDPARFHXFWCF-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000366374818 465687387 /nfs/dbraw/zinc/68/73/87/465687387.db2.gz DUUBUMSGTWADKR-LXPRWKDFSA-N 2 0 334.508 2.273 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371341415 465729990 /nfs/dbraw/zinc/72/99/90/465729990.db2.gz OAZPUIKRHRNJJV-FFZOFVMBSA-N 2 0 349.494 2.125 10 0 EEAERP 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ZINC000618666013 469418747 /nfs/dbraw/zinc/41/87/47/469418747.db2.gz SKAWBEOIZFKAML-INIZCTEOSA-N 2 0 330.476 2.431 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629515756 469571203 /nfs/dbraw/zinc/57/12/03/469571203.db2.gz WMCNYIMRYHYXSS-UMVBOHGHSA-N 2 0 332.366 2.265 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(Br)c1OC ZINC000629653138 469599163 /nfs/dbraw/zinc/59/91/63/469599163.db2.gz FUSKNVAIPOXNLF-UHFFFAOYSA-N 2 0 331.254 2.126 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1 ZINC000606472526 469610407 /nfs/dbraw/zinc/61/04/07/469610407.db2.gz OITANRZKFVRBTM-UHFFFAOYSA-N 2 0 340.467 2.247 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623563289 469694109 /nfs/dbraw/zinc/69/41/09/469694109.db2.gz UKHLRCXCGYMJSG-AWEZNQCLSA-N 2 0 342.478 2.392 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000623601413 469707151 /nfs/dbraw/zinc/70/71/51/469707151.db2.gz CJDWFCQPGILEBU-SOLBZPMBSA-N 2 0 336.524 2.423 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617556015 469726285 /nfs/dbraw/zinc/72/62/85/469726285.db2.gz HXIKDBWMBSKPMV-RTBURBONSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[NH2+]1 ZINC000626927385 469756916 /nfs/dbraw/zinc/75/69/16/469756916.db2.gz MOERGLUZFBNYMG-CRAIPNDOSA-N 2 0 330.476 2.222 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000627002197 469785419 /nfs/dbraw/zinc/78/54/19/469785419.db2.gz SFAHQURNOLIRRZ-JCGIZDLHSA-N 2 0 345.491 2.047 10 0 EEAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627240254 469853604 /nfs/dbraw/zinc/85/36/04/469853604.db2.gz NQGANXSYVWODTK-YTQUADARSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC23CCC[NH+]2CCC3)CC1 ZINC000614226376 469884299 /nfs/dbraw/zinc/88/42/99/469884299.db2.gz BQZCXJOVJALBSY-UHFFFAOYSA-N 2 0 342.487 2.351 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC[N@@H+]1C ZINC000630817348 470002370 /nfs/dbraw/zinc/00/23/70/470002370.db2.gz GPWHLPIEPOSNQB-FUHWJXTLSA-N 2 0 335.467 2.446 10 0 EEAERP Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000625518953 470159590 /nfs/dbraw/zinc/15/95/90/470159590.db2.gz GMHLGIXAVOXVPE-LBPRGKRZSA-N 2 0 341.402 2.424 10 0 EEAERP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000631611565 470174553 /nfs/dbraw/zinc/17/45/53/470174553.db2.gz NHHOFBXXHFNCBC-MOPGFXCFSA-N 2 0 347.503 2.365 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638981381 470344615 /nfs/dbraw/zinc/34/46/15/470344615.db2.gz RXZRPXWUBDZPGT-FUHWJXTLSA-N 2 0 347.503 2.252 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)cc2)CC1 ZINC000646010514 470492915 /nfs/dbraw/zinc/49/29/15/470492915.db2.gz QRGXSGPGCJTJIY-RTBURBONSA-N 2 0 344.503 2.041 10 0 EEAERP O=C(C[NH2+]Cc1cccc2cnccc21)NCC[NH+]1CCCCCC1 ZINC000646215660 470567614 /nfs/dbraw/zinc/56/76/14/470567614.db2.gz CAYPAMGCFLLOLJ-UHFFFAOYSA-N 2 0 340.471 2.317 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000651058562 471037866 /nfs/dbraw/zinc/03/78/66/471037866.db2.gz YOXFWHZEBLGZDD-UHFFFAOYSA-N 2 0 326.529 2.386 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+]CCC[C@H]3CCO3)CC2)cc1 ZINC000638355874 471055271 /nfs/dbraw/zinc/05/52/71/471055271.db2.gz SQIWGCLYHSEGCM-FQEVSTJZSA-N 2 0 331.504 2.353 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000651196928 471086233 /nfs/dbraw/zinc/08/62/33/471086233.db2.gz RIYDCBPABGLYID-HNNXBMFYSA-N 2 0 335.496 2.491 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000657573810 471173265 /nfs/dbraw/zinc/17/32/65/471173265.db2.gz VOMQIHNKICUGJB-INIZCTEOSA-N 2 0 347.482 2.373 10 0 EEAERP c1c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nnn1C1CCC1 ZINC000657612717 471186294 /nfs/dbraw/zinc/18/62/94/471186294.db2.gz DBVHZUNNIZZNEZ-UHFFFAOYSA-N 2 0 340.475 2.400 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000648482672 471217734 /nfs/dbraw/zinc/21/77/34/471217734.db2.gz FSWBEYRFACPEON-LQWHRVPQSA-N 2 0 345.531 2.391 10 0 EEAERP CNC(=O)CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657763131 471230067 /nfs/dbraw/zinc/23/00/67/471230067.db2.gz UWKAMLOUGYAECQ-UHFFFAOYSA-N 2 0 341.459 2.444 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000652225470 471259021 /nfs/dbraw/zinc/25/90/21/471259021.db2.gz ZXOVPHZYKGHNBA-ROUUACIJSA-N 2 0 338.540 2.386 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240458 471260774 /nfs/dbraw/zinc/26/07/74/471260774.db2.gz BZVBVMPPQDJBRV-QGZVFWFLSA-N 2 0 330.476 2.031 10 0 EEAERP CN(C(=O)NCCC1(C[NH3+])CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000652241613 471260931 /nfs/dbraw/zinc/26/09/31/471260931.db2.gz RDCYPYBEDNOGJG-UHFFFAOYSA-N 2 0 344.503 2.421 10 0 EEAERP CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCCC3(F)F)CC2)CC1 ZINC000655080228 471262204 /nfs/dbraw/zinc/26/22/04/471262204.db2.gz VLZONQAVMUIFDQ-INIZCTEOSA-N 2 0 343.462 2.487 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)C[C@H]1C ZINC000652286758 471267124 /nfs/dbraw/zinc/26/71/24/471267124.db2.gz DUDYEHASUFXVRI-CRAIPNDOSA-N 2 0 332.492 2.420 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000655247071 471292105 /nfs/dbraw/zinc/29/21/05/471292105.db2.gz RIQOGOWKRKMAJZ-CEXWTWQISA-N 2 0 329.488 2.498 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000663504070 471403060 /nfs/dbraw/zinc/40/30/60/471403060.db2.gz RSDZCNKWQALZAE-INIZCTEOSA-N 2 0 345.487 2.133 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000663504599 471404194 /nfs/dbraw/zinc/40/41/94/471404194.db2.gz YPBNIVUCANHMGE-RQOWECAXSA-N 2 0 333.451 2.419 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000658980855 471455645 /nfs/dbraw/zinc/45/56/45/471455645.db2.gz KLGUUEKWIBPPLV-UHFFFAOYSA-N 2 0 345.491 2.222 10 0 EEAERP CC1CC[NH+]([C@@H](CNC(=O)NC/C=C/C[NH3+])c2ccccc2)CC1 ZINC000669402662 471479641 /nfs/dbraw/zinc/47/96/41/471479641.db2.gz YNJFASMZTIQXAW-QWNKOJSDSA-N 2 0 330.476 2.274 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659040377 471482924 /nfs/dbraw/zinc/48/29/24/471482924.db2.gz DNUKKNJSGWAJKE-ZWKOTPCHSA-N 2 0 346.475 2.343 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000655805804 471489457 /nfs/dbraw/zinc/48/94/57/471489457.db2.gz LPEGJBNYQIEDJN-SOUVJXGZSA-N 2 0 349.475 2.351 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000655805379 471489895 /nfs/dbraw/zinc/48/98/95/471489895.db2.gz GXFCEBMSOWDOSA-HEHGZKQESA-N 2 0 325.478 2.049 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000663762990 471506382 /nfs/dbraw/zinc/50/63/82/471506382.db2.gz FONNGJPSGFGIMP-MSOLQXFVSA-N 2 0 346.519 2.331 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655914920 471536605 /nfs/dbraw/zinc/53/66/05/471536605.db2.gz JFWISGVOZADUSC-CQSZACIVSA-N 2 0 346.397 2.169 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902457 471544036 /nfs/dbraw/zinc/54/40/36/471544036.db2.gz KTFIQDJHVFJWHS-OALUTQOASA-N 2 0 332.488 2.347 10 0 EEAERP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)nn1 ZINC000655939302 471549983 /nfs/dbraw/zinc/54/99/83/471549983.db2.gz FWBOXHJZTOIRLD-CQSZACIVSA-N 2 0 335.402 2.285 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000669589039 471570575 /nfs/dbraw/zinc/57/05/75/471570575.db2.gz CQZOSQKNBXSGHP-XFHJGTJQSA-N 2 0 330.476 2.103 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000656153628 471609200 /nfs/dbraw/zinc/60/92/00/471609200.db2.gz YKYCQILTGSPXJY-HYVNUMGLSA-N 2 0 326.868 2.147 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659601056 471696403 /nfs/dbraw/zinc/69/64/03/471696403.db2.gz PLVGQDKTDNHDBD-QFBILLFUSA-N 2 0 334.508 2.179 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000656706083 471814338 /nfs/dbraw/zinc/81/43/38/471814338.db2.gz YYAJBJWYRVOVKB-SFHVURJKSA-N 2 0 345.512 2.113 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000664980767 471917494 /nfs/dbraw/zinc/91/74/94/471917494.db2.gz FTINNWDGNBGZQL-GJZGRUSLSA-N 2 0 348.482 2.383 10 0 EEAERP C[NH+](C)CCC[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000662324344 472071550 /nfs/dbraw/zinc/07/15/50/472071550.db2.gz VMUSQHLNOQWRMF-PMACEKPBSA-N 2 0 331.504 2.304 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401388 472099059 /nfs/dbraw/zinc/09/90/59/472099059.db2.gz TWUROXBRCFRKHA-RBUKOAKNSA-N 2 0 347.503 2.328 10 0 EEAERP CC(C)C[C@H](C[NH3+])CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662614088 472175073 /nfs/dbraw/zinc/17/50/73/472175073.db2.gz LQDJGVOFIPSHOK-KRWDZBQOSA-N 2 0 339.524 2.005 10 0 EEAERP CC1CC[NH+]([C@H](CNC(=O)NC/C=C\C[NH3+])c2cccs2)CC1 ZINC000668644707 472207051 /nfs/dbraw/zinc/20/70/51/472207051.db2.gz LZTMSSSJXZQKNX-MPNWYJEXSA-N 2 0 336.505 2.335 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000662732305 472226372 /nfs/dbraw/zinc/22/63/72/472226372.db2.gz AIYGXYFAYBICNA-MRXNPFEDSA-N 2 0 336.480 2.238 10 0 EEAERP Cc1ccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)c(OCC[NH+](C)C)c1 ZINC000662734247 472227899 /nfs/dbraw/zinc/22/78/99/472227899.db2.gz PAFQIXMCESTSDU-UHFFFAOYSA-N 2 0 346.431 2.370 10 0 EEAERP C[C@]([NH3+])(C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000662883432 472290992 /nfs/dbraw/zinc/29/09/92/472290992.db2.gz JZXCXDNKIPRSRX-IEBWSBKVSA-N 2 0 325.412 2.160 10 0 EEAERP CN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074857760 490592903 /nfs/dbraw/zinc/59/29/03/490592903.db2.gz WNULKYRXWNSVEM-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000677837687 490619781 /nfs/dbraw/zinc/61/97/81/490619781.db2.gz JOCWOXYZRBBQSW-LJQANCHMSA-N 2 0 345.487 2.456 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000415962578 528354926 /nfs/dbraw/zinc/35/49/26/528354926.db2.gz XFYXLSBZKOCJMC-UHFFFAOYSA-N 2 0 334.464 2.028 10 0 EEAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422841914 537061918 /nfs/dbraw/zinc/06/19/18/537061918.db2.gz XFBDJBAURMHPGE-DJIMGWMZSA-N 2 0 333.476 2.006 10 0 EEAERP CN1CCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000775392554 577436552 /nfs/dbraw/zinc/43/65/52/577436552.db2.gz JPFYAIDLUVDUFK-IIAWOOMASA-N 2 0 342.530 2.298 10 0 EEAERP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000090971337 676814225 /nfs/dbraw/zinc/81/42/25/676814225.db2.gz IRJRLECSXDCXBP-JXFKEZNVSA-N 2 0 329.488 2.486 10 0 EEAERP COc1cc(OC)cc(N2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262089278 683564866 /nfs/dbraw/zinc/56/48/66/683564866.db2.gz UQJFGENKVZDKPS-IBGZPJMESA-N 2 0 333.476 2.216 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)(N2CCCCC2)CC1 ZINC000925512315 683884567 /nfs/dbraw/zinc/88/45/67/683884567.db2.gz BCOLARPWFDYVDM-QZTJIDSGSA-N 3 0 336.568 2.432 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001485739760 1191916956 /nfs/dbraw/zinc/91/69/56/1191916956.db2.gz ZRIZPKFZQCJUFY-DOTOQJQBSA-N 2 0 332.492 2.106 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nccnc1C ZINC001485751106 1191932131 /nfs/dbraw/zinc/93/21/31/1191932131.db2.gz IIGNDQDTVPRMIU-YJBOKZPZSA-N 2 0 347.507 2.034 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cnoc1C)C1CC1 ZINC001485815156 1191978831 /nfs/dbraw/zinc/97/88/31/1191978831.db2.gz XHRWKTHLWZLSED-QZTJIDSGSA-N 2 0 348.491 2.184 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266477618 1176609478 /nfs/dbraw/zinc/60/94/78/1176609478.db2.gz SIEQKHFGKQIEKT-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001670555714 1176899528 /nfs/dbraw/zinc/89/95/28/1176899528.db2.gz CVPRCTHXNULZLI-PMACEKPBSA-N 2 0 343.515 2.228 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001266656250 1177068567 /nfs/dbraw/zinc/06/85/67/1177068567.db2.gz RAKBXQXJNGMOFF-FBVQUNGASA-N 2 0 337.508 2.009 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCCc2ccccc2)C1 ZINC001670725193 1177090113 /nfs/dbraw/zinc/09/01/13/1177090113.db2.gz XLIOGGZRJIJSJR-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001266724619 1177308805 /nfs/dbraw/zinc/30/88/05/1177308805.db2.gz VNJFOCPOUNEUBI-GFCCVEGCSA-N 2 0 336.307 2.103 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(Cl)nc1)[NH+](C)C ZINC001691105607 1177584812 /nfs/dbraw/zinc/58/48/12/1177584812.db2.gz GVAFCVVIAMJRIX-GJZGRUSLSA-N 2 0 338.883 2.156 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C1CCC1 ZINC001691319340 1177903354 /nfs/dbraw/zinc/90/33/54/1177903354.db2.gz FXATWWSEJGHEMB-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001266963968 1177920724 /nfs/dbraw/zinc/92/07/24/1177920724.db2.gz JEHBCVOQNRBEJJ-MJGOQNOKSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCCC1CCOCC1 ZINC001266968960 1177943850 /nfs/dbraw/zinc/94/38/50/1177943850.db2.gz XLGKVHYBYKCHHC-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)C12CCC[NH+](CCC1)C2 ZINC001691360197 1177967649 /nfs/dbraw/zinc/96/76/49/1177967649.db2.gz RANZFJAXPJWFNL-UHFFFAOYSA-N 2 0 333.451 2.250 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCCCc1ccccc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691413633 1178021555 /nfs/dbraw/zinc/02/15/55/1178021555.db2.gz SQZGSLUJIDQFFV-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001266989116 1178045147 /nfs/dbraw/zinc/04/51/47/1178045147.db2.gz SNMLRQSEMLZTIX-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001266995603 1178052676 /nfs/dbraw/zinc/05/26/76/1178052676.db2.gz VMADJEKUGCYJOY-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001267040892 1178135890 /nfs/dbraw/zinc/13/58/90/1178135890.db2.gz IALVKGTWURPMFM-PKOBYXMFSA-N 2 0 333.520 2.347 10 0 EEAERP O=C(NC[C@H]1CCC[N@H+]1CCCCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001267267074 1178644649 /nfs/dbraw/zinc/64/46/49/1178644649.db2.gz LCNZOMGRADISFA-SJORKVTESA-N 2 0 325.472 2.049 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001691935899 1178722277 /nfs/dbraw/zinc/72/22/77/1178722277.db2.gz LPBRAEAQODQWEL-HIFRSBDPSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481043806 1179613771 /nfs/dbraw/zinc/61/37/71/1179613771.db2.gz FVWZIPFKVJFFGA-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001481127604 1179841443 /nfs/dbraw/zinc/84/14/43/1179841443.db2.gz YPVOPQYLDKHVTN-OAHLLOKOSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1cncc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1 ZINC001267734914 1180333249 /nfs/dbraw/zinc/33/32/49/1180333249.db2.gz FBVAAQXKLJVPCT-IBGZPJMESA-N 2 0 344.503 2.347 10 0 EEAERP CN(CC[NH2+]Cc1cc(O)ccc1Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481248078 1180455717 /nfs/dbraw/zinc/45/57/17/1180455717.db2.gz XTJZCXJQBFAVAX-MRXNPFEDSA-N 2 0 339.867 2.078 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)co1 ZINC001267913330 1180752767 /nfs/dbraw/zinc/75/27/67/1180752767.db2.gz LVNTWVYGJFSYEA-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001267937668 1180790767 /nfs/dbraw/zinc/79/07/67/1180790767.db2.gz RBBMZBFFTNTPGG-SJORKVTESA-N 2 0 325.472 2.049 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302956 1180965392 /nfs/dbraw/zinc/96/53/92/1180965392.db2.gz UPPKSPCJKWVYTA-HKUYNNGSSA-N 2 0 343.515 2.496 10 0 EEAERP Cc1ccc(CCC[NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001481304269 1180971263 /nfs/dbraw/zinc/97/12/63/1180971263.db2.gz OJTRIYAXXVDTMP-UHFFFAOYSA-N 2 0 329.488 2.071 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001481333224 1181054174 /nfs/dbraw/zinc/05/41/74/1181054174.db2.gz IHDBMJNONODOAF-PBHICJAKSA-N 2 0 327.488 2.293 10 0 EEAERP C[N@H+](CCc1cccs1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481480708 1181522384 /nfs/dbraw/zinc/52/23/84/1181522384.db2.gz XMKRCPRWXUKCFW-RDJZCZTQSA-N 2 0 335.517 2.165 10 0 EEAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001268070802 1181668417 /nfs/dbraw/zinc/66/84/17/1181668417.db2.gz JSGTZJNBZIXNJX-DOTOQJQBSA-N 2 0 330.476 2.382 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001268130940 1181782714 /nfs/dbraw/zinc/78/27/14/1181782714.db2.gz JAEXIUNMLAIRCN-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCOC)C1 ZINC001268160715 1181872572 /nfs/dbraw/zinc/87/25/72/1181872572.db2.gz WDBOJYGHGHEQJY-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001268161694 1181875352 /nfs/dbraw/zinc/87/53/52/1181875352.db2.gz FBAQFXSMWSVBRZ-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1 ZINC001268163357 1181880643 /nfs/dbraw/zinc/88/06/43/1181880643.db2.gz VRIUZDVYKVXMSK-MRXNPFEDSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001268255729 1182087586 /nfs/dbraw/zinc/08/75/86/1182087586.db2.gz LGRXUEWMIQVTAR-LBPRGKRZSA-N 2 0 347.290 2.235 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001481728192 1182389575 /nfs/dbraw/zinc/38/95/75/1182389575.db2.gz VJWHBENANANUKX-HZPDHXFCSA-N 2 0 343.462 2.439 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cncs1 ZINC001481854587 1182813660 /nfs/dbraw/zinc/81/36/60/1182813660.db2.gz FFDCKJIEJLHAQC-GOEBONIOSA-N 2 0 338.521 2.390 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268486285 1182965894 /nfs/dbraw/zinc/96/58/94/1182965894.db2.gz SBPVKQFNTPQVIG-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268491557 1182987682 /nfs/dbraw/zinc/98/76/82/1182987682.db2.gz PYZNUNXXAXGCDZ-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001481953340 1183030030 /nfs/dbraw/zinc/03/00/30/1183030030.db2.gz XSAQDIZRVBSECP-BEFAXECRSA-N 2 0 333.451 2.152 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001481962876 1183036502 /nfs/dbraw/zinc/03/65/02/1183036502.db2.gz HLTRJROALPGBCN-FXAWDEMLSA-N 2 0 344.503 2.332 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001481989355 1183095120 /nfs/dbraw/zinc/09/51/20/1183095120.db2.gz KCYSGSFKQPEVHV-UXHICEINSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)[NH+](C)C ZINC001482023090 1183143327 /nfs/dbraw/zinc/14/33/27/1183143327.db2.gz PTJOWMDROHENHH-IIAWOOMASA-N 2 0 338.521 2.246 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001268607947 1183514945 /nfs/dbraw/zinc/51/49/45/1183514945.db2.gz KOCCNLIJKSGVCW-RXYHWBRQSA-N 2 0 343.462 2.416 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268686469 1183609363 /nfs/dbraw/zinc/60/93/63/1183609363.db2.gz CFXASSZXGSEVAM-YQVWRLOYSA-N 2 0 331.504 2.362 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCn1ccnc1 ZINC001268740913 1183662079 /nfs/dbraw/zinc/66/20/79/1183662079.db2.gz MFOLDRGZPWNDTR-HNNXBMFYSA-N 2 0 339.443 2.391 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001268754632 1183670279 /nfs/dbraw/zinc/67/02/79/1183670279.db2.gz FPLSDSXUOHVOLX-CMPLNLGQSA-N 2 0 347.290 2.281 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001268797489 1183713562 /nfs/dbraw/zinc/71/35/62/1183713562.db2.gz PQKKWDWPNNXRSJ-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001268813047 1183732734 /nfs/dbraw/zinc/73/27/34/1183732734.db2.gz ONLHPNHFVXWYHN-UHFFFAOYSA-N 2 0 349.523 2.277 10 0 EEAERP CN(CCC[NH2+]Cc1nc2ccccc2o1)C(=O)C1CC[NH+](C)CC1 ZINC001268836631 1183753993 /nfs/dbraw/zinc/75/39/93/1183753993.db2.gz QVYFXZITFYCJTG-UHFFFAOYSA-N 2 0 344.459 2.108 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268848225 1183764226 /nfs/dbraw/zinc/76/42/26/1183764226.db2.gz UOLFISMJSAMXQT-HNNXBMFYSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCCC2)o1 ZINC001482219716 1184278945 /nfs/dbraw/zinc/27/89/45/1184278945.db2.gz OEZNJBUZCOAMIG-KRWDZBQOSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001269711525 1184543487 /nfs/dbraw/zinc/54/34/87/1184543487.db2.gz KVOOTVLUSHLGKK-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001269981412 1184763214 /nfs/dbraw/zinc/76/32/14/1184763214.db2.gz LQPRFYIHDNLRML-HOTGVXAUSA-N 2 0 336.480 2.184 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001269989570 1184769805 /nfs/dbraw/zinc/76/98/05/1184769805.db2.gz UJBIAZBGDWHERD-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCOC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284680 1185063983 /nfs/dbraw/zinc/06/39/83/1185063983.db2.gz QIVGWVQDCNGORS-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001270648956 1185264170 /nfs/dbraw/zinc/26/41/70/1185264170.db2.gz KRHGKMNSCMXYGA-VQIMIIECSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C(=O)CC[NH+](C)C ZINC001482324586 1185375196 /nfs/dbraw/zinc/37/51/96/1185375196.db2.gz DWGNAVQYRDDAIB-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001482453828 1185862779 /nfs/dbraw/zinc/86/27/79/1185862779.db2.gz CWINORASKZDKJR-JKSUJKDBSA-N 2 0 336.480 2.357 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271092359 1185876679 /nfs/dbraw/zinc/87/66/79/1185876679.db2.gz JWYSTTIGCSUKRA-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)c(C)o1 ZINC001482461310 1185926668 /nfs/dbraw/zinc/92/66/68/1185926668.db2.gz OCSKTXUPDILLOW-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001272755423 1193482180 /nfs/dbraw/zinc/48/21/80/1193482180.db2.gz DIHPZEQASXPKJX-XSLAGTTESA-N 2 0 339.524 2.018 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001482619198 1187439470 /nfs/dbraw/zinc/43/94/70/1187439470.db2.gz OQKMGHVEUNQUNY-CRAIPNDOSA-N 2 0 333.476 2.241 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001482628196 1187453340 /nfs/dbraw/zinc/45/33/40/1187453340.db2.gz HZGGWBGGPQRYKM-IRXDYDNUSA-N 2 0 347.503 2.488 10 0 EEAERP CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)Cc1sccc1Cl ZINC001482642929 1187474359 /nfs/dbraw/zinc/47/43/59/1187474359.db2.gz YSQODUPKBPJDND-UHFFFAOYSA-N 2 0 341.908 2.388 10 0 EEAERP Cc1ccc(F)c(CN(C)CCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001482642923 1187474406 /nfs/dbraw/zinc/47/44/06/1187474406.db2.gz YMOUTXRDHLRKKY-UHFFFAOYSA-N 2 0 333.451 2.120 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc2ncccc2c1 ZINC001482651529 1187487101 /nfs/dbraw/zinc/48/71/01/1187487101.db2.gz GFRABDFIDBEJFM-UHFFFAOYSA-N 2 0 342.487 2.465 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2scnc2C)CC[N@@H+]1C ZINC001272789213 1193499810 /nfs/dbraw/zinc/49/98/10/1193499810.db2.gz AEQDZIJMOLNGLE-AEGPPILISA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001482840439 1187759088 /nfs/dbraw/zinc/75/90/88/1187759088.db2.gz VYKPZNWDDLPWFT-CQSZACIVSA-N 2 0 336.480 2.267 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001482887541 1187804015 /nfs/dbraw/zinc/80/40/15/1187804015.db2.gz AHPZNLHMSCGOFV-YPMHNXCESA-N 2 0 346.928 2.367 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001482901264 1187813187 /nfs/dbraw/zinc/81/31/87/1187813187.db2.gz JNSUWSWIUDPHAW-GUYCJALGSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)C12CC[NH+](CC1)C2 ZINC001482962818 1187896642 /nfs/dbraw/zinc/89/66/42/1187896642.db2.gz BYUWDNPZALZFJR-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483007470 1187989400 /nfs/dbraw/zinc/98/94/00/1187989400.db2.gz ACGQTTKTPHJDLN-DPZZJQGRSA-N 2 0 341.499 2.223 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC001483053246 1188297296 /nfs/dbraw/zinc/29/72/96/1188297296.db2.gz CYCGPMBJNMAKNY-RXYHWBRQSA-N 2 0 343.462 2.416 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]Cc3coc(C4CC4)n3)C2)CCC1 ZINC001409267746 1188364322 /nfs/dbraw/zinc/36/43/22/1188364322.db2.gz VBTIEZBLFPZWQC-UHFFFAOYSA-N 2 0 346.475 2.021 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CCC(F)(F)CC1)C12CC[NH+](CC1)C2 ZINC001483084459 1188445114 /nfs/dbraw/zinc/44/51/14/1188445114.db2.gz ZAKSSZJTRFVJDI-OWOJBTEDSA-N 2 0 341.446 2.170 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001409284740 1188598783 /nfs/dbraw/zinc/59/87/83/1188598783.db2.gz ZTSBNDVRVNWTQX-JRSKDTKFSA-N 2 0 333.451 2.249 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691628711 1188775489 /nfs/dbraw/zinc/77/54/89/1188775489.db2.gz AYTXGFFNJZXZKD-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483152573 1188905585 /nfs/dbraw/zinc/90/55/85/1188905585.db2.gz DANBXCNSSRIKQT-CQSZACIVSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001485875508 1193627389 /nfs/dbraw/zinc/62/73/89/1193627389.db2.gz PGAHGZSWOMCIST-MAUKXSAKSA-N 2 0 347.478 2.147 10 0 EEAERP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001409385137 1189606255 /nfs/dbraw/zinc/60/62/55/1189606255.db2.gz KKVIKLXFSNNRAI-GJZGRUSLSA-N 2 0 339.524 2.016 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccns2)C1 ZINC001485911975 1193637561 /nfs/dbraw/zinc/63/75/61/1193637561.db2.gz LCTHKFKXUUGMSQ-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409476237 1189807787 /nfs/dbraw/zinc/80/77/87/1189807787.db2.gz RKSKSMIXUWIBPJ-ZIAGYGMSSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CN(C)CCO2)cc1 ZINC001409501370 1189885291 /nfs/dbraw/zinc/88/52/91/1189885291.db2.gz CRAYAQNAKDNCIT-QFBILLFUSA-N 2 0 347.503 2.077 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCc1ccc(Cl)cc1 ZINC001485956194 1193648295 /nfs/dbraw/zinc/64/82/95/1193648295.db2.gz UZAHVKQNUKSBDY-OAHLLOKOSA-N 2 0 337.895 2.415 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCc1ccc(Cl)cc1 ZINC001485945402 1193654514 /nfs/dbraw/zinc/65/45/14/1193654514.db2.gz WGNURVZGTLDUNQ-OAHLLOKOSA-N 2 0 349.906 2.415 10 0 EEAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001483339869 1190369546 /nfs/dbraw/zinc/36/95/46/1190369546.db2.gz UVQJCPSGZZEJAH-APWZRJJASA-N 2 0 329.488 2.273 10 0 EEAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001483339872 1190370202 /nfs/dbraw/zinc/37/02/02/1190370202.db2.gz UVQJCPSGZZEJAH-VQIMIIECSA-N 2 0 329.488 2.273 10 0 EEAERP C[C@H](C[N@H+](C)CC1CC(F)(F)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483351178 1190387661 /nfs/dbraw/zinc/38/76/61/1190387661.db2.gz CKMHFCLFDNAVSA-CQSZACIVSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001483354509 1190392114 /nfs/dbraw/zinc/39/21/14/1190392114.db2.gz WBFROFAYINQGSU-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001483500899 1190516643 /nfs/dbraw/zinc/51/66/43/1190516643.db2.gz DOCZLAPMMMALDZ-INIZCTEOSA-N 2 0 347.507 2.096 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1nccs1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001483568196 1190557332 /nfs/dbraw/zinc/55/73/32/1190557332.db2.gz BENWVOFOYBWKRP-HNNXBMFYSA-N 2 0 348.516 2.004 10 0 EEAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCOC1CCC1)C12CCC[NH+]1CCC2 ZINC001272280917 1190738191 /nfs/dbraw/zinc/73/81/91/1190738191.db2.gz NSRASQGAFFCTTI-WMZOPIPTSA-N 2 0 349.519 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)c1cccc(OC)c1 ZINC001483690498 1190762372 /nfs/dbraw/zinc/76/23/72/1190762372.db2.gz YLHCJBHMIMVUCJ-DOTOQJQBSA-N 2 0 333.476 2.289 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001483794129 1191033684 /nfs/dbraw/zinc/03/36/84/1191033684.db2.gz DPFHWIGESPKJBW-KRWDZBQOSA-N 2 0 333.451 2.392 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001483916530 1191115424 /nfs/dbraw/zinc/11/54/24/1191115424.db2.gz ADVMJMSQFFKPGX-DLBZAZTESA-N 2 0 327.513 2.111 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001483925136 1191118517 /nfs/dbraw/zinc/11/85/17/1191118517.db2.gz OIXXXWFYHDWSQB-IEBWSBKVSA-N 2 0 345.487 2.049 10 0 EEAERP CC(C)OCCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001483971138 1191131685 /nfs/dbraw/zinc/13/16/85/1191131685.db2.gz ODOSIRLENVHZQM-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001484198292 1191269514 /nfs/dbraw/zinc/26/95/14/1191269514.db2.gz IDHXETBYJJYWCM-HIFRSBDPSA-N 2 0 342.434 2.311 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484395318 1191329688 /nfs/dbraw/zinc/32/96/88/1191329688.db2.gz VTUSLGQFUXQTFS-BZSNNMDCSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](C)F)C[C@@H]2C1)[NH+](CC)CC ZINC001484412083 1191338936 /nfs/dbraw/zinc/33/89/36/1191338936.db2.gz JLLCHQNZNLCTBL-NCOADZHNSA-N 2 0 327.488 2.245 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cnc[nH]1 ZINC001484463470 1191367333 /nfs/dbraw/zinc/36/73/33/1191367333.db2.gz JSSFKHBJJSVEPT-MSOLQXFVSA-N 2 0 348.491 2.080 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)oc1C ZINC001484524642 1191398041 /nfs/dbraw/zinc/39/80/41/1191398041.db2.gz KXGAOTJGUHRSLM-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484550307 1191409848 /nfs/dbraw/zinc/40/98/48/1191409848.db2.gz RNYYYXZZZMBYFF-IEBWSBKVSA-N 2 0 346.519 2.304 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1ocnc1C)CC2 ZINC001484580992 1191425755 /nfs/dbraw/zinc/42/57/55/1191425755.db2.gz AJFKSUFCMYOPIK-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001485041481 1191623115 /nfs/dbraw/zinc/62/31/15/1191623115.db2.gz OJAFYAKBJLURHQ-UILUVHTGSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001485207325 1191693611 /nfs/dbraw/zinc/69/36/11/1191693611.db2.gz UKHQJODANUAUQO-ZIAGYGMSSA-N 2 0 336.480 2.006 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001485238782 1191705386 /nfs/dbraw/zinc/70/53/86/1191705386.db2.gz ODYVPVRTHRGKKW-ABHNRTSZSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@H+](C)CCC(C)(C)C ZINC001485321645 1191734248 /nfs/dbraw/zinc/73/42/48/1191734248.db2.gz YAVCAZYZRVDVNW-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2cncc(C)c2)C1 ZINC001485341386 1191746028 /nfs/dbraw/zinc/74/60/28/1191746028.db2.gz HBOFTYWSPIFDEQ-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001485370845 1191758838 /nfs/dbraw/zinc/75/88/38/1191758838.db2.gz IJULBPIGEYQJPZ-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP O=C(Cn1ccnc1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001486167444 1193709653 /nfs/dbraw/zinc/70/96/53/1193709653.db2.gz PXPRWWNHYGIUME-MELADBBJSA-N 2 0 344.381 2.052 10 0 EEAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001486218705 1193757096 /nfs/dbraw/zinc/75/70/96/1193757096.db2.gz ZYWGNINJSCFBOT-FUHWJXTLSA-N 2 0 339.499 2.343 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486239669 1193766272 /nfs/dbraw/zinc/76/62/72/1193766272.db2.gz DSULGWYRYLNKAJ-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001486418268 1193948457 /nfs/dbraw/zinc/94/84/57/1193948457.db2.gz SNTKRZVVGREUBW-SJORKVTESA-N 2 0 341.540 2.406 10 0 EEAERP CC(C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001486451711 1193967126 /nfs/dbraw/zinc/96/71/26/1193967126.db2.gz ASPQIVNVABYBAE-ZIAGYGMSSA-N 2 0 337.430 2.496 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272977673 1194286671 /nfs/dbraw/zinc/28/66/71/1194286671.db2.gz NMWWYGQQRFBZMO-YCPHGPKFSA-N 2 0 348.491 2.267 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)CC1CC[NH+](C)CC1 ZINC001691666250 1194305092 /nfs/dbraw/zinc/30/50/92/1194305092.db2.gz UMFHNYJKYJCFEG-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001273018324 1194325434 /nfs/dbraw/zinc/32/54/34/1194325434.db2.gz JJVKIKZIGCWATJ-FZMZJTMJSA-N 2 0 326.510 2.085 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)s1 ZINC001273091353 1194378774 /nfs/dbraw/zinc/37/87/74/1194378774.db2.gz TYNKTWPZTPAVIY-CQSZACIVSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001410013646 1197155334 /nfs/dbraw/zinc/15/53/34/1197155334.db2.gz BVXYGBABVWSPLF-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2nc3ccccc3o2)CC1(C)C ZINC001410020299 1197377142 /nfs/dbraw/zinc/37/71/42/1197377142.db2.gz JAPCGKZRYDNYFF-MRXNPFEDSA-N 2 0 344.459 2.106 10 0 EEAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410167715 1197578511 /nfs/dbraw/zinc/57/85/11/1197578511.db2.gz SQSJRCAKMBCOFM-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCCC4CCC4)C[C@H]32)C1 ZINC001410150335 1197581347 /nfs/dbraw/zinc/58/13/47/1197581347.db2.gz KWQDLPVEMFRVCW-CADBVGFASA-N 2 0 333.520 2.203 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cs1 ZINC001410217077 1197609364 /nfs/dbraw/zinc/60/93/64/1197609364.db2.gz GSBHKKAKSSGOQW-DZKIICNBSA-N 2 0 338.521 2.022 10 0 EEAERP CCn1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)n1 ZINC001410251340 1197634165 /nfs/dbraw/zinc/63/41/65/1197634165.db2.gz VMXMTWFOSQKCJJ-MSOLQXFVSA-N 2 0 349.523 2.008 10 0 EEAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001410257045 1197641014 /nfs/dbraw/zinc/64/10/14/1197641014.db2.gz VYVYJULUHHLCFP-INIZCTEOSA-N 2 0 327.488 2.389 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001410433186 1197877780 /nfs/dbraw/zinc/87/77/80/1197877780.db2.gz YPFJJTRIKYUXQX-MSOLQXFVSA-N 2 0 346.519 2.449 10 0 EEAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1)C1CCCC1 ZINC000872156120 1198062351 /nfs/dbraw/zinc/06/23/51/1198062351.db2.gz DYVANXDGPBBQGG-QFBILLFUSA-N 2 0 344.503 2.317 10 0 EEAERP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000872230376 1198099912 /nfs/dbraw/zinc/09/99/12/1198099912.db2.gz ZFGNTGDNRSAZSJ-FDYSRKEFSA-N 2 0 348.487 2.481 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cnc(C)s2)[C@@H]1C ZINC001411028976 1198708580 /nfs/dbraw/zinc/70/85/80/1198708580.db2.gz CCSXANOJQPFQEA-CZUORRHYSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001411223257 1198933236 /nfs/dbraw/zinc/93/32/36/1198933236.db2.gz XLORHUGLZRUESB-ROUUACIJSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000810133179 1199290748 /nfs/dbraw/zinc/29/07/48/1199290748.db2.gz CWETTWNDIVMZGY-IIDMSEBBSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875632828 1199325829 /nfs/dbraw/zinc/32/58/29/1199325829.db2.gz JNLZVOSSKBCVNY-BRSBDYLESA-N 2 0 338.540 2.194 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cn2)C[C@H]1C[NH+](C)C ZINC000870018047 1200409507 /nfs/dbraw/zinc/40/95/07/1200409507.db2.gz UVEBJUHQPPHCIT-HZPDHXFCSA-N 2 0 346.519 2.191 10 0 EEAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1C ZINC000866411619 1201510243 /nfs/dbraw/zinc/51/02/43/1201510243.db2.gz QWKZXBVMCICKFO-RDJZCZTQSA-N 2 0 347.503 2.455 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000866558806 1201548326 /nfs/dbraw/zinc/54/83/26/1201548326.db2.gz VINYROXBWWOYIT-YZGWKJHDSA-N 2 0 331.504 2.268 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000866711264 1201587154 /nfs/dbraw/zinc/58/71/54/1201587154.db2.gz GNYPRAURCWITHP-DDBAPUKQSA-N 2 0 345.418 2.070 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)CC(C)C ZINC000868352431 1201796312 /nfs/dbraw/zinc/79/63/12/1201796312.db2.gz DQMOZEVQHKZGSO-OKZBNKHCSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]Cc1nccs1 ZINC001691728002 1204234294 /nfs/dbraw/zinc/23/42/94/1204234294.db2.gz NPLWNWMRRSZJCD-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001279182875 1204337811 /nfs/dbraw/zinc/33/78/11/1204337811.db2.gz ZKMHUXYNZAPQPK-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001274398363 1205021390 /nfs/dbraw/zinc/02/13/90/1205021390.db2.gz LELVPKJJPBSDJW-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001274644805 1205112640 /nfs/dbraw/zinc/11/26/40/1205112640.db2.gz RLICCAWSURNBNN-WMZOPIPTSA-N 2 0 349.523 2.218 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001411619924 1205457212 /nfs/dbraw/zinc/45/72/12/1205457212.db2.gz SCVBPNPGMOZBFN-KRWDZBQOSA-N 2 0 344.503 2.497 10 0 EEAERP C[NH+](C)C1(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC001411991971 1205618039 /nfs/dbraw/zinc/61/80/39/1205618039.db2.gz ZRYCLEPPBSMDGL-UHFFFAOYSA-N 2 0 345.487 2.456 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+]3CC[C@H](F)C3)C2)cc1 ZINC001412481323 1205736345 /nfs/dbraw/zinc/73/63/45/1205736345.db2.gz UXGUAGCNTZQHDZ-ZWKOTPCHSA-N 2 0 333.451 2.119 10 0 EEAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924628901 1206006325 /nfs/dbraw/zinc/00/63/25/1206006325.db2.gz XPWPAPLOTNPBMQ-HKUYNNGSSA-N 2 0 334.508 2.253 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN(CC[NH+](C)C)CC2)n(C)n1 ZINC000924634234 1206007488 /nfs/dbraw/zinc/00/74/88/1206007488.db2.gz CEESOKCVSKNEHW-FXAWDEMLSA-N 2 0 347.551 2.055 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccnnc1 ZINC000924643028 1206009190 /nfs/dbraw/zinc/00/91/90/1206009190.db2.gz DHZKWDCMLQWUHK-SFHVURJKSA-N 2 0 339.487 2.335 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+]C3CC4(C3)COC(C)(C)C4)ccn2)CC1 ZINC000924691640 1206018658 /nfs/dbraw/zinc/01/86/58/1206018658.db2.gz XATNUUFFRBPNJW-UHFFFAOYSA-N 2 0 344.503 2.271 10 0 EEAERP CC1(C)C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)C[C@@H]([NH3+])C1 ZINC000925514578 1206121622 /nfs/dbraw/zinc/12/16/22/1206121622.db2.gz NEVQGDXCJHVUTH-QYZOEREBSA-N 2 0 331.504 2.383 10 0 EEAERP [NH3+][C@H]1C[C@H](NCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925538783 1206124876 /nfs/dbraw/zinc/12/48/76/1206124876.db2.gz TUHNIZZEGNEJOD-OALUTQOASA-N 2 0 328.504 2.058 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)C12CCC2 ZINC000925552376 1206127051 /nfs/dbraw/zinc/12/70/51/1206127051.db2.gz JYVIYOWJTGYBAU-RCCFBDPRSA-N 2 0 327.472 2.080 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000925712947 1206145753 /nfs/dbraw/zinc/14/57/53/1206145753.db2.gz RLWAUAWZMVEUHK-GUDVDZBRSA-N 3 0 331.504 2.249 10 0 EEAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925774476 1206153300 /nfs/dbraw/zinc/15/33/00/1206153300.db2.gz AMVHMNXYPKBNPR-FRFSOERESA-N 2 0 337.414 2.077 10 0 EEAERP c1c[nH]c([C@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccccc2)n1 ZINC000925847996 1206160163 /nfs/dbraw/zinc/16/01/63/1206160163.db2.gz XUAHOUIPASYIOP-GOSISDBHSA-N 2 0 327.476 2.164 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925899034 1206165465 /nfs/dbraw/zinc/16/54/65/1206165465.db2.gz HWEMZJQBYCIOIJ-GOSISDBHSA-N 2 0 349.523 2.304 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccnn1C1CCC1)C(=O)NCC[NH+](C)C ZINC000925954862 1206174207 /nfs/dbraw/zinc/17/42/07/1206174207.db2.gz QRZRUVDXWCYRMV-RDJZCZTQSA-N 2 0 349.523 2.351 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000926032804 1206183838 /nfs/dbraw/zinc/18/38/38/1206183838.db2.gz SWHGYJHOMBAFTL-MRXNPFEDSA-N 2 0 334.464 2.218 10 0 EEAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000926186191 1206202394 /nfs/dbraw/zinc/20/23/94/1206202394.db2.gz MFRYSTRKWYWTRJ-HZMVEIRTSA-N 2 0 346.500 2.203 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCCCC1 ZINC000928089313 1206338781 /nfs/dbraw/zinc/33/87/81/1206338781.db2.gz JXNGPNOEOFDHSY-JKSUJKDBSA-N 2 0 339.549 2.195 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1cccnc1 ZINC000928837632 1206426334 /nfs/dbraw/zinc/42/63/34/1206426334.db2.gz UZVUVHXFDIGDKL-GOSISDBHSA-N 2 0 332.492 2.457 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H]2CCCC3(CCC3)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136950 1206536936 /nfs/dbraw/zinc/53/69/36/1206536936.db2.gz PUXPFAMKQOJGJD-QRVBRYPASA-N 2 0 335.536 2.436 10 0 EEAERP CN(CCC[N@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC[NH+](C)C ZINC000930499180 1206562761 /nfs/dbraw/zinc/56/27/61/1206562761.db2.gz ITIJVGCHNZWGQG-LSDHHAIUSA-N 2 0 339.446 2.302 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1cccc(C)c1 ZINC000931397012 1207369831 /nfs/dbraw/zinc/36/98/31/1207369831.db2.gz HAIAVHKCFDMQDJ-SFHVURJKSA-N 2 0 345.487 2.052 10 0 EEAERP C[C@]12CN(C[C@@H]3CCC4(COC4)O3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000931612577 1207425711 /nfs/dbraw/zinc/42/57/11/1207425711.db2.gz IFFSWBKPXQPJBN-AABGKKOBSA-N 2 0 342.483 2.388 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCO[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000931747874 1207455225 /nfs/dbraw/zinc/45/52/25/1207455225.db2.gz XZRGEINYPFMVNR-XUVXKRRUSA-N 2 0 330.472 2.246 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001276333168 1215754117 /nfs/dbraw/zinc/75/41/17/1215754117.db2.gz PAKLWZXNTLUSRG-ZWKOTPCHSA-N 2 0 332.492 2.140 10 0 EEAERP CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000900414158 1234331600 /nfs/dbraw/zinc/33/16/00/1234331600.db2.gz FTQOXMKZZVYQPR-ICSRJNTNSA-N 2 0 345.487 2.456 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H]1c1cccs1 ZINC000900825701 1234870468 /nfs/dbraw/zinc/87/04/68/1234870468.db2.gz AJOYWQNKYFCLSA-HOCLYGCPSA-N 2 0 333.501 2.343 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000902924988 1239104895 /nfs/dbraw/zinc/10/48/95/1239104895.db2.gz DLYNRFWOARFYCL-CRAIPNDOSA-N 2 0 330.476 2.043 10 0 EEAERP COc1ccccc1NC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431486 1240454335 /nfs/dbraw/zinc/45/43/35/1240454335.db2.gz WHPBCJFHXQZZGP-ZBFHGGJFSA-N 2 0 331.460 2.473 10 0 EEAERP c1ccc(-c2nnn(CCCCC[NH2+][C@@H]3CC[NH2+]C34CCC4)n2)cc1 ZINC000903470852 1240573728 /nfs/dbraw/zinc/57/37/28/1240573728.db2.gz OFIFLPHPBCECLI-QGZVFWFLSA-N 2 0 340.475 2.385 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1CC[NH3+] ZINC000903495169 1240666248 /nfs/dbraw/zinc/66/62/48/1240666248.db2.gz YCOBVSYCWIRGRA-YLJYHZDGSA-N 2 0 343.515 2.384 10 0 EEAERP c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C[C@@H]1CCCN21 ZINC000903784474 1241952807 /nfs/dbraw/zinc/95/28/07/1241952807.db2.gz PWBYGRPSJXXGHO-NLWGTHIKSA-N 2 0 327.472 2.240 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2ccc(OC(C)C)cc2)cnn1C ZINC000903922992 1242515540 /nfs/dbraw/zinc/51/55/40/1242515540.db2.gz IYIYMVHORQEWIV-QGZVFWFLSA-N 2 0 330.476 2.423 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000903947611 1242658433 /nfs/dbraw/zinc/65/84/33/1242658433.db2.gz CCNQNHFHOMZERR-IEBWSBKVSA-N 2 0 348.535 2.375 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000903974497 1242812719 /nfs/dbraw/zinc/81/27/19/1242812719.db2.gz PLYOSBWQVIHEFM-VXGBXAGGSA-N 2 0 337.265 2.432 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001490947895 1258501878 /nfs/dbraw/zinc/50/18/78/1258501878.db2.gz CFFQXJLSSRAOMG-LNLFQRSKSA-N 2 0 347.503 2.197 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccc(F)cc1 ZINC001491047991 1258607367 /nfs/dbraw/zinc/60/73/67/1258607367.db2.gz MOTCSZGJBNAKMD-XYPHTWIQSA-N 2 0 333.451 2.465 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CC/C=C\c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001491068858 1258635344 /nfs/dbraw/zinc/63/53/44/1258635344.db2.gz CUMITLKZFZTGSP-BDRYQJQLSA-N 2 0 339.483 2.423 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491181883 1258746875 /nfs/dbraw/zinc/74/68/75/1258746875.db2.gz RUYRXVXAPLBONR-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491234898 1258821539 /nfs/dbraw/zinc/82/15/39/1258821539.db2.gz OGYRQLSOKHUWIZ-IAGOWNOFSA-N 2 0 348.491 2.048 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCF)[NH+]1CCCC1 ZINC001491236759 1258827082 /nfs/dbraw/zinc/82/70/82/1258827082.db2.gz OPQMJFMNSIBBHE-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1sccc1Cl ZINC001491507197 1259157810 /nfs/dbraw/zinc/15/78/10/1259157810.db2.gz XKUORSZEDFLGTI-WCQYABFASA-N 2 0 329.897 2.480 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN([C@@H]3CCOC3)CC2)n(C)n1 ZINC000850554373 1277266347 /nfs/dbraw/zinc/26/63/47/1277266347.db2.gz CUTLYCMIPAJZOX-HQRMLTQVSA-N 2 0 346.519 2.283 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001488940507 1290289232 /nfs/dbraw/zinc/28/92/32/1290289232.db2.gz QPZJOVMLMSQLEC-UONOGXRCSA-N 2 0 347.425 2.442 10 0 EEAERP Cc1c(C(=O)N(C)CCOCC[N@@H+](C)CC(C)C)ccc2c[nH+]cn21 ZINC001489213540 1290453783 /nfs/dbraw/zinc/45/37/83/1290453783.db2.gz CTDQCLKWENWIOQ-UHFFFAOYSA-N 2 0 346.475 2.319 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001495377400 1291359886 /nfs/dbraw/zinc/35/98/86/1291359886.db2.gz DOWABNWOVMFSOW-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844695 1292214173 /nfs/dbraw/zinc/21/41/73/1292214173.db2.gz JRNSGOYVRMCPIF-ZIAGYGMSSA-N 2 0 338.883 2.422 10 0 EEAERP C[N@H+](Cc1ccccc1NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000852854656 1292216823 /nfs/dbraw/zinc/21/68/23/1292216823.db2.gz MHLVMTRZSRHJJK-MRXNPFEDSA-N 2 0 344.459 2.493 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000854231833 1292682132 /nfs/dbraw/zinc/68/21/32/1292682132.db2.gz NLBMCICYHZFBPN-CQSZACIVSA-N 2 0 329.554 2.487 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@@H]3CCOC3)C2)ccn1 ZINC000856551266 1293564004 /nfs/dbraw/zinc/56/40/04/1293564004.db2.gz OAPCJQJNMWRWNT-APWZRJJASA-N 2 0 333.476 2.413 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001490903579 1294710378 /nfs/dbraw/zinc/71/03/78/1294710378.db2.gz XNUZRJQPRZFREU-GUDVDZBRSA-N 2 0 329.488 2.340 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ncccn1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001277185871 1301720003 /nfs/dbraw/zinc/72/00/03/1301720003.db2.gz BTATXOQYFYLNSB-INIZCTEOSA-N 2 0 347.507 2.116 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC001277335556 1302480002 /nfs/dbraw/zinc/48/00/02/1302480002.db2.gz QYWFWNBNVVEAPT-XJKSGUPXSA-N 2 0 336.480 2.008 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001277359518 1302638829 /nfs/dbraw/zinc/63/88/29/1302638829.db2.gz DPSQSVUJAXVNOF-SQNIBIBYSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277772601 1304382004 /nfs/dbraw/zinc/38/20/04/1304382004.db2.gz YTZLKQJIXOMGSS-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP O=C(N[C@@H](C[NH2+]C/C=C/Cl)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001278283548 1308959699 /nfs/dbraw/zinc/95/96/99/1308959699.db2.gz VYZIKGGUTSWWQE-GZTQLTBSSA-N 2 0 325.884 2.099 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C[C@H]1C ZINC001278424962 1310206439 /nfs/dbraw/zinc/20/64/39/1310206439.db2.gz XXWRCJLJCWADEL-UKRRQHHQSA-N 2 0 338.883 2.154 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278453149 1310340478 /nfs/dbraw/zinc/34/04/78/1310340478.db2.gz RSWGWBFKFHLMIT-JENIJYKNSA-N 2 0 337.508 2.011 10 0 EEAERP FC1(F)CC[NH2+]C[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000841074522 1315468676 /nfs/dbraw/zinc/46/86/76/1315468676.db2.gz DHDBJXLXJFZWDH-QGZVFWFLSA-N 2 0 339.430 2.248 10 0 EEAERP C[N@H+](CCNC(=O)Nc1cccc(OCC[NH3+])c1)C1CCCCC1 ZINC000841280780 1315519949 /nfs/dbraw/zinc/51/99/49/1315519949.db2.gz DIYAPAMKVWHWCI-UHFFFAOYSA-N 2 0 334.464 2.410 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])CC(C)C)cc(Cl)n1 ZINC000841849021 1315622857 /nfs/dbraw/zinc/62/28/57/1315622857.db2.gz MJHGUCMQWSVXKY-CZUORRHYSA-N 2 0 326.872 2.313 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000841930440 1315640403 /nfs/dbraw/zinc/64/04/03/1315640403.db2.gz IUQLCWRSYLKTSD-CQSZACIVSA-N 2 0 326.444 2.207 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc(Cl)n1 ZINC000843489556 1315922802 /nfs/dbraw/zinc/92/28/02/1315922802.db2.gz HOUAVLSWKPIOHC-CABCVRRESA-N 2 0 338.883 2.232 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001264119104 1322632267 /nfs/dbraw/zinc/63/22/67/1322632267.db2.gz UKCZAEPUMMMWAQ-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001264128224 1322637127 /nfs/dbraw/zinc/63/71/27/1322637127.db2.gz TVNHKZYVZVFRBG-KRWDZBQOSA-N 2 0 327.513 2.114 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)on1 ZINC001264518489 1322722767 /nfs/dbraw/zinc/72/27/67/1322722767.db2.gz SPJUKYJPBVJPRS-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001264683795 1322783103 /nfs/dbraw/zinc/78/31/03/1322783103.db2.gz MCWLOHRURZDTDY-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)o1 ZINC001264728669 1322794053 /nfs/dbraw/zinc/79/40/53/1322794053.db2.gz RLTCFCVBJQWGQY-ZBFHGGJFSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@H]1C[C@@H](C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001265072847 1322907303 /nfs/dbraw/zinc/90/73/03/1322907303.db2.gz HUGLHLULYYHVSS-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@@H+](C/C=C\Cl)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265119852 1322930200 /nfs/dbraw/zinc/93/02/00/1322930200.db2.gz SHEVRQAHPZZIRG-UITAMQMPSA-N 2 0 327.900 2.443 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C)c(OC)c1 ZINC001265146102 1322947854 /nfs/dbraw/zinc/94/78/54/1322947854.db2.gz NBCUWVNHSWJQKS-SFHVURJKSA-N 2 0 347.503 2.284 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001265310134 1323059822 /nfs/dbraw/zinc/05/98/22/1323059822.db2.gz HVJXDSSSEALCFT-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001265637179 1323287010 /nfs/dbraw/zinc/28/70/10/1323287010.db2.gz TWPWOLWMVBINSE-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCOc1ccccc1 ZINC001265809305 1323392890 /nfs/dbraw/zinc/39/28/90/1323392890.db2.gz VISMMWRDWOCSSN-INIZCTEOSA-N 2 0 333.476 2.034 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265872192 1323444044 /nfs/dbraw/zinc/44/40/44/1323444044.db2.gz QXSGZVDLXXOINV-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccn1 ZINC001265880051 1323451374 /nfs/dbraw/zinc/45/13/74/1323451374.db2.gz BYXMROOAHPIANZ-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001265894889 1323465489 /nfs/dbraw/zinc/46/54/89/1323465489.db2.gz AHPSSAXLDGJFIP-OALUTQOASA-N 2 0 329.488 2.212 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H]1CCCC(F)(F)C1 ZINC001265971743 1323532421 /nfs/dbraw/zinc/53/24/21/1323532421.db2.gz YZGGKEPJVNWLIY-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001266026122 1323576795 /nfs/dbraw/zinc/57/67/95/1323576795.db2.gz DWHDGSYIGBIRQJ-INIZCTEOSA-N 2 0 335.467 2.148 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC001266070243 1323625285 /nfs/dbraw/zinc/62/52/85/1323625285.db2.gz QZRHXQHFYVFAHF-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001266074981 1323630880 /nfs/dbraw/zinc/63/08/80/1323630880.db2.gz HJRAMBYRFPXSTO-HZPDHXFCSA-N 2 0 325.472 2.239 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ocnc1C)[NH+](C)C ZINC001266235583 1323819404 /nfs/dbraw/zinc/81/94/04/1323819404.db2.gz YCNKHLFWNAIHOP-CVEARBPZSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001280434517 1324223345 /nfs/dbraw/zinc/22/33/45/1324223345.db2.gz YTCCEYYJDCOSLF-MJGOQNOKSA-N 2 0 347.478 2.433 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001280434516 1324223861 /nfs/dbraw/zinc/22/38/61/1324223861.db2.gz YTCCEYYJDCOSLF-IEBWSBKVSA-N 2 0 347.478 2.433 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001281476402 1325147948 /nfs/dbraw/zinc/14/79/48/1325147948.db2.gz SDJNEHVSAPTYHY-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c(n3)CCCC4)[C@@H]2C1 ZINC001276679311 1325178677 /nfs/dbraw/zinc/17/86/77/1325178677.db2.gz UWRTXOXVXRZZRU-NNZMDNLPSA-N 2 0 342.487 2.022 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCCCF)CC[N@@H+]1C ZINC001281862851 1325491360 /nfs/dbraw/zinc/49/13/60/1325491360.db2.gz SEBPRHIEKMOBNM-IXDOHACOSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281953528 1325532248 /nfs/dbraw/zinc/53/22/48/1325532248.db2.gz XJZFLKGRSFFLQS-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001282923505 1325836624 /nfs/dbraw/zinc/83/66/24/1325836624.db2.gz GCBSFLIXYQZDLK-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1cnccn1 ZINC001283260431 1325976803 /nfs/dbraw/zinc/97/68/03/1325976803.db2.gz NCGFZFJPRQHXCC-DLBZAZTESA-N 2 0 347.507 2.144 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001283417295 1326058694 /nfs/dbraw/zinc/05/86/94/1326058694.db2.gz TWPUJKXGZCKWMG-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP CN(C(=O)CC[NH+]1CCCCC1)[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001283556588 1326129917 /nfs/dbraw/zinc/12/99/17/1326129917.db2.gz KECPPOBWXLGHGU-MEMKZHQFSA-N 2 0 327.900 2.442 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001284071564 1326392919 /nfs/dbraw/zinc/39/29/19/1326392919.db2.gz MVWSGJZRFKXHSS-PXNSSMCTSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001284199707 1326457459 /nfs/dbraw/zinc/45/74/59/1326457459.db2.gz XSFVCXBCYQCYPM-VZLFFANISA-N 2 0 327.900 2.488 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC001491882910 1330287911 /nfs/dbraw/zinc/28/79/11/1330287911.db2.gz RBCSFSJSGKUVST-HUUCEWRRSA-N 2 0 338.521 2.044 10 0 EEAERP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]Cc1ccc(F)cc1 ZINC001492118239 1330487414 /nfs/dbraw/zinc/48/74/14/1330487414.db2.gz CHJJTLADLCJXCG-BEFAXECRSA-N 2 0 333.451 2.296 10 0 EEAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001492078192 1330985432 /nfs/dbraw/zinc/98/54/32/1330985432.db2.gz PJRFPKDRDSZTPC-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001492091702 1330998752 /nfs/dbraw/zinc/99/87/52/1330998752.db2.gz GMLNQODLJUFZDU-SJLPKXTDSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1CC[NH2+]CCF ZINC001316682905 1331318862 /nfs/dbraw/zinc/31/88/62/1331318862.db2.gz PLDHLBKGOJHKGM-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1nc(C)c(C[NH+](CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)o1 ZINC001316924583 1331991213 /nfs/dbraw/zinc/99/12/13/1331991213.db2.gz WPCCRRPUSCSGEV-CQSZACIVSA-N 2 0 348.491 2.104 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316943776 1332007050 /nfs/dbraw/zinc/00/70/50/1332007050.db2.gz MBTRPSZJLFUCQP-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317177428 1332115548 /nfs/dbraw/zinc/11/55/48/1332115548.db2.gz HNZXOWCEHDSIRZ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001317245937 1332150777 /nfs/dbraw/zinc/15/07/77/1332150777.db2.gz JEHBCVOQNRBEJJ-IEBWSBKVSA-N 2 0 347.503 2.261 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1nc2ccccc2o1 ZINC001317592251 1332314188 /nfs/dbraw/zinc/31/41/88/1332314188.db2.gz CBWZOFZWUHXRNE-MRXNPFEDSA-N 2 0 344.459 2.250 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCOC)C1 ZINC001318446652 1332539106 /nfs/dbraw/zinc/53/91/06/1332539106.db2.gz WSHMMHOCCJDMQL-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001318485780 1332549926 /nfs/dbraw/zinc/54/99/26/1332549926.db2.gz UCKLQMDHYKKGOV-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)COCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319069851 1332645481 /nfs/dbraw/zinc/64/54/81/1332645481.db2.gz OEYZJEGRNJCWSG-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(O)ccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320372296 1332869992 /nfs/dbraw/zinc/86/99/92/1332869992.db2.gz OHBWKMWEVMPRTR-MLGOLLRUSA-N 2 0 339.867 2.124 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)CC1CC[NH+](C)CC1 ZINC001320862738 1332967515 /nfs/dbraw/zinc/96/75/15/1332967515.db2.gz LNWLCIQANQMNFY-UHFFFAOYSA-N 2 0 331.451 2.202 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320928658 1332980960 /nfs/dbraw/zinc/98/09/60/1332980960.db2.gz LEEVBIAORPKNLG-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001321522478 1333117620 /nfs/dbraw/zinc/11/76/20/1333117620.db2.gz KLMQBAFZTYCEIH-XLIONFOSSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCCOC(C)C)ccc2c[nH+]cn21 ZINC001321567489 1333125799 /nfs/dbraw/zinc/12/57/99/1333125799.db2.gz HYEYAXGABVBADD-CQSZACIVSA-N 2 0 332.448 2.166 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]CCC2CCOCC2)ccc2c[nH+]cn21 ZINC001321907799 1333177341 /nfs/dbraw/zinc/17/73/41/1333177341.db2.gz ROGVUPNVNBBCBF-AWEZNQCLSA-N 2 0 344.459 2.167 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001322567577 1333284785 /nfs/dbraw/zinc/28/47/85/1333284785.db2.gz ZLVVCBJZVQGASF-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001323860302 1333561163 /nfs/dbraw/zinc/56/11/63/1333561163.db2.gz PZFPWWHPJZIKJZ-GOSISDBHSA-N 2 0 327.488 2.392 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1)[NH+](C)C ZINC001324226834 1333638824 /nfs/dbraw/zinc/63/88/24/1333638824.db2.gz WJXPUVOKPVFQKV-DOTOQJQBSA-N 2 0 337.533 2.457 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001324260021 1333644366 /nfs/dbraw/zinc/64/43/66/1333644366.db2.gz FCCHVLQSLOIMFD-HVEWAWRISA-N 2 0 339.911 2.442 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001325599225 1333921294 /nfs/dbraw/zinc/92/12/94/1333921294.db2.gz RAACTTXOUOTKQV-KJKYUDHTSA-N 2 0 327.900 2.299 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1354841257 /nfs/dbraw/zinc/84/12/57/1354841257.db2.gz CUNPCNRPXLFMQS-CVEARBPZSA-N 2 0 339.524 2.039 10 0 EEAERP C[N@H+](CC(=O)NCC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1)C1CCC1 ZINC001665294845 1355289950 /nfs/dbraw/zinc/28/99/50/1355289950.db2.gz ONNAGKDROTWYHB-CYBMUJFWSA-N 2 0 348.318 2.103 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001667033121 1355636386 /nfs/dbraw/zinc/63/63/86/1355636386.db2.gz IIFIGEHVPDLGLM-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCOC(C)C)C1 ZINC001667693657 1355789217 /nfs/dbraw/zinc/78/92/17/1355789217.db2.gz JODCBUQSHIOHII-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001668853229 1356023220 /nfs/dbraw/zinc/02/32/20/1356023220.db2.gz FDZOMGLKHMYQLI-WHLIDYPQSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCC[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001669337008 1356146679 /nfs/dbraw/zinc/14/66/79/1356146679.db2.gz RVHDWDJGHIYRNT-ZBFHGGJFSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@H](C[NH2+]CCCCCF)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669399860 1356154773 /nfs/dbraw/zinc/15/47/73/1356154773.db2.gz QVRAQMMNAPDFOS-PBHICJAKSA-N 2 0 333.467 2.433 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001669434434 1356159046 /nfs/dbraw/zinc/15/90/46/1356159046.db2.gz OSFFZNPMRJTGNT-MRXNPFEDSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001669604182 1356182399 /nfs/dbraw/zinc/18/23/99/1356182399.db2.gz YFSQQZQIDFYDHR-INIZCTEOSA-N 2 0 347.478 2.481 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001669703017 1356197141 /nfs/dbraw/zinc/19/71/41/1356197141.db2.gz NAOMOQVFMKHAGA-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)C1CC[NH+](C)CC1 ZINC001670232810 1356300498 /nfs/dbraw/zinc/30/04/98/1356300498.db2.gz CIOLPFGFAYKNJN-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001670357691 1356326799 /nfs/dbraw/zinc/32/67/99/1356326799.db2.gz NVDLODGYIOVSQL-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)CCC1(F)F)[NH+](C)C ZINC001671972405 1356447680 /nfs/dbraw/zinc/44/76/80/1356447680.db2.gz RBHVOYVVXJLWNE-CABCVRRESA-N 2 0 331.451 2.366 10 0 EEAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001672285919 1356493742 /nfs/dbraw/zinc/49/37/42/1356493742.db2.gz BYYOGVQDNCYMKP-MJGOQNOKSA-N 2 0 343.515 2.398 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2csc(C)n2)C1)[NH+](C)C ZINC001672896753 1356609350 /nfs/dbraw/zinc/60/93/50/1356609350.db2.gz KDAZQMURECWZSZ-GOEBONIOSA-N 2 0 338.521 2.120 10 0 EEAERP CCOCC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001673470924 1356693427 /nfs/dbraw/zinc/69/34/27/1356693427.db2.gz FZHAXTYKLTXBFM-SFHVURJKSA-N 2 0 345.503 2.016 10 0 EEAERP CCCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001673534228 1356705902 /nfs/dbraw/zinc/70/59/02/1356705902.db2.gz XAJHUOATIIECMA-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCOc2ccccc2)CC1)[NH+](C)C ZINC001673961725 1356765423 /nfs/dbraw/zinc/76/54/23/1356765423.db2.gz OLFBDZSFWXYGCQ-GOSISDBHSA-N 2 0 347.503 2.376 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001674749472 1356889506 /nfs/dbraw/zinc/88/95/06/1356889506.db2.gz ZOSMUFVAQWVGJU-JKSUJKDBSA-N 2 0 341.540 2.406 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001675782086 1357048804 /nfs/dbraw/zinc/04/88/04/1357048804.db2.gz QGDWGZAHKOQLKP-VEHMHOGNSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1ccc(NCCNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)nc1 ZINC001683992920 1358211830 /nfs/dbraw/zinc/21/18/30/1358211830.db2.gz QSINVVWMESXGHN-INIZCTEOSA-N 2 0 333.480 2.222 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001698716670 1405019866 /nfs/dbraw/zinc/01/98/66/1405019866.db2.gz QMMSNPWMJUYHSG-JKSUJKDBSA-N 2 0 335.467 2.482 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCC3=CCCCC3)CCO2)C1 ZINC001698788844 1405060595 /nfs/dbraw/zinc/06/05/95/1405060595.db2.gz FBGCUEYTZHPYIY-MOPGFXCFSA-N 2 0 349.519 2.036 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1 ZINC001698919643 1405161254 /nfs/dbraw/zinc/16/12/54/1405161254.db2.gz DDYOVXWWFMDGRB-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC=C(Cl)Cl ZINC001699258033 1405300173 /nfs/dbraw/zinc/30/01/73/1405300173.db2.gz TVOJIZBNODGHBB-DHCBQETCSA-N 2 0 334.291 2.440 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699368006 1405344224 /nfs/dbraw/zinc/34/42/24/1405344224.db2.gz YCOXKETUYQDIRI-RHSMWYFYSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699950691 1405598738 /nfs/dbraw/zinc/59/87/38/1405598738.db2.gz PBRFAHVZWLAASS-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccoc1)CC2 ZINC000675011989 769030049 /nfs/dbraw/zinc/03/00/49/769030049.db2.gz XPMOUBVUTRBVBG-QGZVFWFLSA-N 2 0 331.460 2.188 10 0 EEAERP C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C[NH+](C)C ZINC000921388300 773328025 /nfs/dbraw/zinc/32/80/25/773328025.db2.gz FNBTVSYVJSDHEH-WBVHZDCISA-N 2 0 349.523 2.350 10 0 EEAERP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925850518 779572636 /nfs/dbraw/zinc/57/26/36/779572636.db2.gz IQNWBZDABUUNOW-AAEUAGOBSA-N 2 0 337.489 2.350 10 0 EEAERP Cn1nccc1[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000922969848 788462874 /nfs/dbraw/zinc/46/28/74/788462874.db2.gz GREOUBGAEYSYNZ-PKOBYXMFSA-N 2 0 340.471 2.240 10 0 EEAERP COc1cc(-c2noc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)n2)ccc1C ZINC000923493208 789664882 /nfs/dbraw/zinc/66/48/82/789664882.db2.gz FMBFHPFBQRXYJV-DZGCQCFKSA-N 2 0 330.432 2.470 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)CC[C@@H]1C[NH3+] ZINC000923499417 789682627 /nfs/dbraw/zinc/68/26/27/789682627.db2.gz KNCGGQMUMQENBU-DOTOQJQBSA-N 2 0 328.460 2.416 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000914080273 794843419 /nfs/dbraw/zinc/84/34/19/794843419.db2.gz BXYHDLHAKJLQMS-FUHWJXTLSA-N 2 0 347.507 2.248 10 0 EEAERP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726366 796447992 /nfs/dbraw/zinc/44/79/92/796447992.db2.gz DEGDMOOEHCELJE-BHNDVYRESA-N 2 0 327.472 2.296 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000916032191 797486482 /nfs/dbraw/zinc/48/64/82/797486482.db2.gz KXZKBUQKHBXPCZ-SFHVURJKSA-N 2 0 347.507 2.106 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000917899136 798399459 /nfs/dbraw/zinc/39/94/59/798399459.db2.gz SJRZDTWZMSUMSV-MSOLQXFVSA-N 2 0 347.507 2.248 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000922801126 801946812 /nfs/dbraw/zinc/94/68/12/801946812.db2.gz CRZOCOOLXJARLV-ZIAGYGMSSA-N 2 0 339.281 2.351 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCOC)C2)C1 ZINC001566072088 1125545638 /nfs/dbraw/zinc/54/56/38/1125545638.db2.gz QIAUZFQQSTWMPD-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)CCC(F)(F)F)CC1 ZINC001566505621 1125674516 /nfs/dbraw/zinc/67/45/16/1125674516.db2.gz QWWMXSKUAAFFAI-UHFFFAOYSA-N 2 0 337.430 2.497 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC(F)(F)F ZINC001566550817 1125721492 /nfs/dbraw/zinc/72/14/92/1125721492.db2.gz WILOBNLQLIAQTA-CQSZACIVSA-N 2 0 335.414 2.109 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001566574980 1125755641 /nfs/dbraw/zinc/75/56/41/1125755641.db2.gz PRBZMOWOHDTDEZ-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1oncc1C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001566587939 1125775161 /nfs/dbraw/zinc/77/51/61/1125775161.db2.gz YNGAGYMLTCRAAW-SFHVURJKSA-N 2 0 348.491 2.327 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001436496845 1088012386 /nfs/dbraw/zinc/01/23/86/1088012386.db2.gz YBHLKLOIYTVIBM-AWEZNQCLSA-N 2 0 347.425 2.348 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2ccc(C)cc2)[C@@H]1C ZINC001436509201 1088048466 /nfs/dbraw/zinc/04/84/66/1088048466.db2.gz HJANMMWRANFSOT-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP CCCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001436761009 1088278706 /nfs/dbraw/zinc/27/87/06/1088278706.db2.gz VNPLXBZVQGCANP-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CC2CCC3(CC3)CC2)C2CC2)C1 ZINC001436824340 1088425962 /nfs/dbraw/zinc/42/59/62/1088425962.db2.gz CSWDDVDVABTMCG-MSOLQXFVSA-N 2 0 333.520 2.393 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC001436908923 1088566019 /nfs/dbraw/zinc/56/60/19/1088566019.db2.gz IOCCUWBHYQSUKS-JOCQHMNTSA-N 2 0 348.472 2.092 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCOC1CCC1 ZINC001436934709 1088608357 /nfs/dbraw/zinc/60/83/57/1088608357.db2.gz FTDGGSAHTICKBM-ALOPSCKCSA-N 2 0 337.508 2.007 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC001437088794 1089040942 /nfs/dbraw/zinc/04/09/42/1089040942.db2.gz NYFFLYJBWBVXEW-UHFFFAOYSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437189118 1089230457 /nfs/dbraw/zinc/23/04/57/1089230457.db2.gz RDCIUDUGKBSWRP-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001437233770 1089330437 /nfs/dbraw/zinc/33/04/37/1089330437.db2.gz LVOALTCGICGNPO-JKSUJKDBSA-N 2 0 347.507 2.061 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001437328445 1089498009 /nfs/dbraw/zinc/49/80/09/1089498009.db2.gz NVJLRELCQYOUNT-OAHLLOKOSA-N 2 0 344.459 2.106 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001437369523 1089608805 /nfs/dbraw/zinc/60/88/05/1089608805.db2.gz CJRAAEKFUVYCCH-RPVQJOFSSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437397566 1089657470 /nfs/dbraw/zinc/65/74/70/1089657470.db2.gz NJYDMHJOLLHGLD-INIZCTEOSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ccc(C[NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001437480284 1089825422 /nfs/dbraw/zinc/82/54/22/1089825422.db2.gz KKIKKTUMORWMPE-IBGZPJMESA-N 2 0 346.519 2.367 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC[C@H]1CCCO1 ZINC001437761249 1090336726 /nfs/dbraw/zinc/33/67/26/1090336726.db2.gz HOALSCVKKORUTG-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP COC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001437852459 1090435076 /nfs/dbraw/zinc/43/50/76/1090435076.db2.gz NLTGMSCTSRIILW-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001437881324 1090456652 /nfs/dbraw/zinc/45/66/52/1090456652.db2.gz PHNSFVGDOJFZQV-LJQANCHMSA-N 2 0 340.471 2.289 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001437940255 1090533646 /nfs/dbraw/zinc/53/36/46/1090533646.db2.gz MGYCBLICSWUIJZ-MAUKXSAKSA-N 2 0 345.478 2.387 10 0 EEAERP O=C(NCC[C@@H]1CC[N@H+](CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001437950027 1090547484 /nfs/dbraw/zinc/54/74/84/1090547484.db2.gz RRIKXDAFCCMXJR-GOSISDBHSA-N 2 0 333.520 2.491 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001437984608 1090577826 /nfs/dbraw/zinc/57/78/26/1090577826.db2.gz BOULHLUMZQSBCT-LPHOPBHVSA-N 2 0 329.488 2.406 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2C[NH+](Cc3ccccc3)C2)C1 ZINC001438147086 1090666662 /nfs/dbraw/zinc/66/66/62/1090666662.db2.gz WYHCILHZDMPENR-FQEVSTJZSA-N 2 0 347.478 2.447 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cnc(C)s1 ZINC001438320922 1090795897 /nfs/dbraw/zinc/79/58/97/1090795897.db2.gz GEORJEVCHAEQQC-AWEZNQCLSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001438331223 1090805931 /nfs/dbraw/zinc/80/59/31/1090805931.db2.gz ONISPQYZYZNUAT-ZFWWWQNUSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438331235 1090806381 /nfs/dbraw/zinc/80/63/81/1090806381.db2.gz KNPIJPKANDHHHH-SJLPKXTDSA-N 2 0 346.519 2.079 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438421460 1090916160 /nfs/dbraw/zinc/91/61/60/1090916160.db2.gz KZRQINZYMCJTKT-ICSRJNTNSA-N 2 0 344.503 2.331 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001438659898 1091149329 /nfs/dbraw/zinc/14/93/29/1091149329.db2.gz GUVFWALIQVMUJV-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001438669656 1091158155 /nfs/dbraw/zinc/15/81/55/1091158155.db2.gz QNEWTVBFWULAKA-HUUCEWRRSA-N 2 0 327.513 2.111 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccns1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438740825 1091292616 /nfs/dbraw/zinc/29/26/16/1091292616.db2.gz HVRYBTOAXBIPOC-HUUCEWRRSA-N 2 0 338.521 2.105 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CCC[NH+]1C ZINC001438901926 1091560673 /nfs/dbraw/zinc/56/06/73/1091560673.db2.gz RAQPRJYJQFJSKE-GOSISDBHSA-N 2 0 328.460 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1C ZINC001439114300 1091759515 /nfs/dbraw/zinc/75/95/15/1091759515.db2.gz ICFNGFYCHZJCDI-QAPCUYQASA-N 2 0 347.503 2.472 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F)[NH+](C)C ZINC001439128313 1091772923 /nfs/dbraw/zinc/77/29/23/1091772923.db2.gz GCOQHZDQAZDBPO-SSKCKEOISA-N 2 0 339.430 2.387 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439150731 1091793369 /nfs/dbraw/zinc/79/33/69/1091793369.db2.gz AROZUMWLLPQLPL-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@@H](C[N@H+](C)CCCc1ccccc1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439371510 1092105910 /nfs/dbraw/zinc/10/59/10/1092105910.db2.gz YZLQYVBUHZRYNF-MSOLQXFVSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439400329 1092154323 /nfs/dbraw/zinc/15/43/23/1092154323.db2.gz NMJZBIPWXHGGFT-HNNXBMFYSA-N 2 0 333.451 2.188 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001439414971 1092184077 /nfs/dbraw/zinc/18/40/77/1092184077.db2.gz CUTFTFITASANSX-AEFFLSMTSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001446335753 1092545038 /nfs/dbraw/zinc/54/50/38/1092545038.db2.gz UTDKKWNYQFHOPT-SJLPKXTDSA-N 2 0 339.499 2.391 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](Cc2ccccn2)CC1 ZINC001439794693 1092752037 /nfs/dbraw/zinc/75/20/37/1092752037.db2.gz QIUWZZZIFKMQDB-GOSISDBHSA-N 2 0 344.503 2.427 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001439820225 1092805085 /nfs/dbraw/zinc/80/50/85/1092805085.db2.gz IJLBAOWHSTUWLY-IXDOHACOSA-N 2 0 327.488 2.388 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001439848906 1092861706 /nfs/dbraw/zinc/86/17/06/1092861706.db2.gz HUGPCXOCYXZACO-SFHVURJKSA-N 2 0 333.520 2.489 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2nocc2C)C1 ZINC001439899393 1092959347 /nfs/dbraw/zinc/95/93/47/1092959347.db2.gz DBRHAQXXABGUCV-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001440197191 1093266496 /nfs/dbraw/zinc/26/64/96/1093266496.db2.gz WTWDIXIKDIIQDE-RCCFBDPRSA-N 2 0 339.524 2.063 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2C1 ZINC001448468572 1093479661 /nfs/dbraw/zinc/47/96/61/1093479661.db2.gz ITJKKCYVSVMZQZ-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC001448479809 1093499918 /nfs/dbraw/zinc/49/99/18/1093499918.db2.gz OTJRWYXWFNMSJB-FGTMMUONSA-N 2 0 333.520 2.299 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC001448481478 1093502587 /nfs/dbraw/zinc/50/25/87/1093502587.db2.gz YLVCAIJRCZIHRB-BRWVUGGUSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001440363105 1093527011 /nfs/dbraw/zinc/52/70/11/1093527011.db2.gz ZNMWBAHQFZRHIW-JKSUJKDBSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)nc2C)C1)[NH+](C)C ZINC001440368815 1093535696 /nfs/dbraw/zinc/53/56/96/1093535696.db2.gz PBUFWBHOCGJHIA-SZMVWBNQSA-N 2 0 332.492 2.023 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001448511053 1093536898 /nfs/dbraw/zinc/53/68/98/1093536898.db2.gz MNXIFXCWIPBWNY-SHTZXODSSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001440443061 1093650317 /nfs/dbraw/zinc/65/03/17/1093650317.db2.gz MKIMIFBBOAAGPJ-BPQIPLTHSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001440445293 1093654861 /nfs/dbraw/zinc/65/48/61/1093654861.db2.gz FQJBOEGVOJZTHH-MSOLQXFVSA-N 2 0 347.478 2.366 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001440475550 1093705128 /nfs/dbraw/zinc/70/51/28/1093705128.db2.gz SWQRDILFOVVAJM-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001448721906 1093794073 /nfs/dbraw/zinc/79/40/73/1093794073.db2.gz CEUOSMPKIRQRQR-DLBZAZTESA-N 2 0 332.492 2.283 10 0 EEAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001440537759 1093802569 /nfs/dbraw/zinc/80/25/69/1093802569.db2.gz QWQYDRMZRYZSCE-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ncccc1C)CC2)[NH+](C)C ZINC001449013956 1094015509 /nfs/dbraw/zinc/01/55/09/1094015509.db2.gz OAMFSTQASIMZGK-CMKODMSKSA-N 2 0 344.503 2.343 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CCCF)CC2)CC(C)(C)C ZINC001449017429 1094018185 /nfs/dbraw/zinc/01/81/85/1094018185.db2.gz UGJNLBLKLFZHTN-QAPCUYQASA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001440815418 1094068056 /nfs/dbraw/zinc/06/80/56/1094068056.db2.gz GNQILIMKPUDUIZ-VXGBXAGGSA-N 2 0 326.510 2.085 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001440839005 1094093180 /nfs/dbraw/zinc/09/31/80/1094093180.db2.gz PAWYQWSJIODXOE-GJZGRUSLSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001440954680 1094208555 /nfs/dbraw/zinc/20/85/55/1094208555.db2.gz NGAXATFHUYDPLB-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1conc1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441111103 1094426346 /nfs/dbraw/zinc/42/63/46/1094426346.db2.gz HUIVPJKFXFUJJF-QZTJIDSGSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(C/C=C\Cl)C1 ZINC001441180960 1094535627 /nfs/dbraw/zinc/53/56/27/1094535627.db2.gz DGJGYLWODKDPPE-GMFYWQHVSA-N 2 0 345.890 2.388 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001441205115 1094567545 /nfs/dbraw/zinc/56/75/45/1094567545.db2.gz TVXJJPVBZGNPNT-HNNXBMFYSA-N 2 0 349.906 2.415 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)c1 ZINC001441258533 1094659053 /nfs/dbraw/zinc/65/90/53/1094659053.db2.gz SHUHKBWWUHPQLM-KRWDZBQOSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCF)CC[C@@H]21 ZINC001441478231 1095148047 /nfs/dbraw/zinc/14/80/47/1095148047.db2.gz OLXLIVAMUJBCQI-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001441487173 1095162854 /nfs/dbraw/zinc/16/28/54/1095162854.db2.gz NPLFRKOHAVOSAE-FGTMMUONSA-N 2 0 335.467 2.412 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001441528520 1095235504 /nfs/dbraw/zinc/23/55/04/1095235504.db2.gz NKZSFNHPBVKOKD-SOUVJXGZSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001441537964 1095251960 /nfs/dbraw/zinc/25/19/60/1095251960.db2.gz MLJJDQLJCAIMBV-GFCCVEGCSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441603927 1095454901 /nfs/dbraw/zinc/45/49/01/1095454901.db2.gz SAXKJYWQDJREGD-HOTGVXAUSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](O)c1ccccc1 ZINC001441633155 1095526234 /nfs/dbraw/zinc/52/62/34/1095526234.db2.gz CRHMDVVAXLACPA-RBUKOAKNSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441833586 1095897947 /nfs/dbraw/zinc/89/79/47/1095897947.db2.gz XEUINDYZPURQAB-YXJHDRRASA-N 2 0 346.519 2.448 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001441869576 1095979921 /nfs/dbraw/zinc/97/99/21/1095979921.db2.gz RPXVESGGWFCMAT-FHLIZLRMSA-N 2 0 333.476 2.020 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001442142310 1096388481 /nfs/dbraw/zinc/38/84/81/1096388481.db2.gz BKJWNIOIIWQNBZ-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001442257995 1096560059 /nfs/dbraw/zinc/56/00/59/1096560059.db2.gz NJFXJLVXMKAGMB-RHSMWYFYSA-N 2 0 335.517 2.117 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1 ZINC001442270264 1096575157 /nfs/dbraw/zinc/57/51/57/1096575157.db2.gz VSSNQGTUUZGAQP-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CCc1ccccc1 ZINC001442521687 1096878357 /nfs/dbraw/zinc/87/83/57/1096878357.db2.gz RNOVFBZILOQLEO-HXUWFJFHSA-N 2 0 349.494 2.490 10 0 EEAERP CC[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)CC[C@@H](C)F ZINC001442684852 1097051287 /nfs/dbraw/zinc/05/12/87/1097051287.db2.gz ICWWOVZFHCRXGQ-CQSZACIVSA-N 2 0 333.411 2.067 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001442895025 1097294741 /nfs/dbraw/zinc/29/47/41/1097294741.db2.gz SMFOTBOVGRNDPX-OAHLLOKOSA-N 2 0 337.895 2.272 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC001442898937 1097299633 /nfs/dbraw/zinc/29/96/33/1097299633.db2.gz BUZPREGETBQNCS-HNNXBMFYSA-N 2 0 344.434 2.346 10 0 EEAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001443174951 1097611283 /nfs/dbraw/zinc/61/12/83/1097611283.db2.gz GQKICHDEHIACRP-CVEARBPZSA-N 2 0 343.462 2.439 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@H](CCNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001443267250 1097747933 /nfs/dbraw/zinc/74/79/33/1097747933.db2.gz QGNCGDNESMYENU-MSOLQXFVSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC001443629197 1098124012 /nfs/dbraw/zinc/12/40/12/1098124012.db2.gz NARPBCYFSYRPOT-KUHUBIRLSA-N 2 0 345.462 2.203 10 0 EEAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001443875656 1098401778 /nfs/dbraw/zinc/40/17/78/1098401778.db2.gz ZJOJBQJVUXTVFX-RTBURBONSA-N 2 0 344.503 2.379 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001479691747 1098755589 /nfs/dbraw/zinc/75/55/89/1098755589.db2.gz LDSAMLXMNUBZIK-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001479727191 1098824105 /nfs/dbraw/zinc/82/41/05/1098824105.db2.gz FKJIBZPHOGNZST-LMMKCTJWSA-N 2 0 349.519 2.034 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444322080 1098885229 /nfs/dbraw/zinc/88/52/29/1098885229.db2.gz KWCKVLPNSPACDA-HNNXBMFYSA-N 2 0 349.523 2.099 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001444367137 1098933591 /nfs/dbraw/zinc/93/35/91/1098933591.db2.gz KXJWNKPLCVKFNM-LPHOPBHVSA-N 2 0 346.519 2.079 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2cccnc2C)C1 ZINC001479791408 1098997461 /nfs/dbraw/zinc/99/74/61/1098997461.db2.gz MFZMGRKKLKCJGO-IBGZPJMESA-N 2 0 346.519 2.450 10 0 EEAERP COCCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828821 1099109797 /nfs/dbraw/zinc/10/97/97/1099109797.db2.gz FGTIJMRPJGWPIS-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccnn1C ZINC001479856048 1099159526 /nfs/dbraw/zinc/15/95/26/1099159526.db2.gz LGZAVXVVPRRXOZ-KRWDZBQOSA-N 2 0 349.523 2.013 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1)C1CCC1 ZINC001480111460 1099677955 /nfs/dbraw/zinc/67/79/55/1099677955.db2.gz AWEQXVCUCWCLAG-INIZCTEOSA-N 2 0 335.517 2.356 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2Cl)C1 ZINC001480221476 1099838256 /nfs/dbraw/zinc/83/82/56/1099838256.db2.gz XAMFMUSPTGWALT-OKILXGFUSA-N 2 0 339.867 2.124 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001480237242 1099867759 /nfs/dbraw/zinc/86/77/59/1099867759.db2.gz RCMVZZHPCCIYDL-HDICACEKSA-N 2 0 333.451 2.091 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccnc2)C(C)C)CC[N@@H+]1C ZINC001444876644 1099890656 /nfs/dbraw/zinc/89/06/56/1099890656.db2.gz UVXJIQPVUVCUGB-OKZBNKHCSA-N 2 0 332.492 2.042 10 0 EEAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001444993110 1100122882 /nfs/dbraw/zinc/12/28/82/1100122882.db2.gz JPZBXKGSKYTRKL-UHFFFAOYSA-N 2 0 341.540 2.171 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]Cc1ccccn1 ZINC001480461976 1100266466 /nfs/dbraw/zinc/26/64/66/1100266466.db2.gz QANQHCNRFFZFMK-IRXDYDNUSA-N 2 0 344.503 2.331 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2c(C)nsc2C)CC[N@@H+]1C ZINC001480464039 1100270164 /nfs/dbraw/zinc/27/01/64/1100270164.db2.gz MDSYSJFNRGWSAU-DIOULYMOSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC[C@H]1CCCCO1 ZINC001480537249 1100367896 /nfs/dbraw/zinc/36/78/96/1100367896.db2.gz NBVHOYRDJBAYHX-HZPDHXFCSA-N 2 0 327.513 2.018 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001480548119 1100383356 /nfs/dbraw/zinc/38/33/56/1100383356.db2.gz IIWJJFHGJPEQLC-DZGCQCFKSA-N 2 0 331.451 2.389 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496208252 1100749530 /nfs/dbraw/zinc/74/95/30/1100749530.db2.gz VWMNGUJTSFNBSP-WBVHZDCISA-N 2 0 342.487 2.446 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCc1cscn1)C1CCCC1 ZINC001446497870 1100944825 /nfs/dbraw/zinc/94/48/25/1100944825.db2.gz OAPMOXDOONXGSB-HOTGVXAUSA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001496375891 1100968562 /nfs/dbraw/zinc/96/85/62/1100968562.db2.gz OSIFHUIHUAYDAK-QAPCUYQASA-N 2 0 335.467 2.493 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001495414511 1101133593 /nfs/dbraw/zinc/13/35/93/1101133593.db2.gz BDTWWFIAGCCIJE-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496643057 1101248300 /nfs/dbraw/zinc/24/83/00/1101248300.db2.gz MTGMOEUXNKVCKZ-SFHVURJKSA-N 2 0 349.523 2.099 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001495549147 1101263398 /nfs/dbraw/zinc/26/33/98/1101263398.db2.gz VTLSKVQLDGKLKE-MOPGFXCFSA-N 2 0 329.488 2.212 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001496680027 1101278752 /nfs/dbraw/zinc/27/87/52/1101278752.db2.gz OQKMGHVEUNQUNY-YJBOKZPZSA-N 2 0 333.476 2.241 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001496029547 1101954602 /nfs/dbraw/zinc/95/46/02/1101954602.db2.gz YNLNNMQYFHIRHE-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP C[N@@H+](Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CC1 ZINC001447085400 1101960190 /nfs/dbraw/zinc/96/01/90/1101960190.db2.gz UHQQZKQSFFZCDQ-KRWDZBQOSA-N 2 0 329.488 2.486 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001447122392 1102030490 /nfs/dbraw/zinc/03/04/90/1102030490.db2.gz BHCCRZIFCJCZJU-HRCADAONSA-N 2 0 325.472 2.142 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497306920 1102289421 /nfs/dbraw/zinc/28/94/21/1102289421.db2.gz CHVXAWAIOQCOFD-KBPBESRZSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497329359 1102334168 /nfs/dbraw/zinc/33/41/68/1102334168.db2.gz BDHCKKXGZXOQPL-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]CCc1c(F)cccc1F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497362994 1102385272 /nfs/dbraw/zinc/38/52/72/1102385272.db2.gz XPNHYANFLNXHEX-KRWDZBQOSA-N 2 0 339.430 2.040 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497401787 1102433543 /nfs/dbraw/zinc/43/35/43/1102433543.db2.gz ZMKIHLHUVLEHCZ-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP CC(C)OCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001447354571 1102512267 /nfs/dbraw/zinc/51/22/67/1102512267.db2.gz MYQZDBXSJMSMFB-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497585890 1102702848 /nfs/dbraw/zinc/70/28/48/1102702848.db2.gz NUAQBFMHHIXKNL-XANICSHESA-N 2 0 329.488 2.351 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2nc3ccccc3o2)[C@@H](C)C1 ZINC001447542896 1102827167 /nfs/dbraw/zinc/82/71/67/1102827167.db2.gz RWXDVTNCIKLUNU-HOCLYGCPSA-N 2 0 344.459 2.106 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C ZINC001497677814 1102887539 /nfs/dbraw/zinc/88/75/39/1102887539.db2.gz AVXZDSGCZKNZSU-YIEVGGLXSA-N 2 0 345.487 2.107 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C)C1CCC1 ZINC001497842984 1103180000 /nfs/dbraw/zinc/18/00/00/1103180000.db2.gz ZLYZUEMPCAMQIQ-ACJLOTCBSA-N 2 0 344.459 2.166 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447865055 1103473784 /nfs/dbraw/zinc/47/37/84/1103473784.db2.gz JXRVSBJYRQZPIA-HUUCEWRRSA-N 2 0 345.487 2.184 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001447865053 1103474607 /nfs/dbraw/zinc/47/46/07/1103474607.db2.gz JXRVSBJYRQZPIA-CABCVRRESA-N 2 0 345.487 2.184 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447895049 1103538316 /nfs/dbraw/zinc/53/83/16/1103538316.db2.gz GENBJGQYODEGFX-GJZGRUSLSA-N 2 0 334.508 2.448 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001447929538 1103623241 /nfs/dbraw/zinc/62/32/41/1103623241.db2.gz MFGWQQUYJAPBGA-HUUCEWRRSA-N 2 0 333.451 2.235 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NCC1C[NH+](CC[C@H](C)F)C1)c1ccccc1 ZINC001494616269 1104201163 /nfs/dbraw/zinc/20/11/63/1104201163.db2.gz HJVRRYKCVHIDFQ-YJBOKZPZSA-N 2 0 335.467 2.476 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cnc(C)cn1 ZINC001495069497 1104709259 /nfs/dbraw/zinc/70/92/59/1104709259.db2.gz YOPDUVOWHSKUHR-WMZOPIPTSA-N 2 0 347.507 2.032 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)CC[NH+]2CCCCC2)o1 ZINC001480597672 1106737929 /nfs/dbraw/zinc/73/79/29/1106737929.db2.gz RQQSFUCKUVJRIV-AWEZNQCLSA-N 2 0 336.480 2.016 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001497993909 1106750584 /nfs/dbraw/zinc/75/05/84/1106750584.db2.gz UTVUBZNFKNZFEL-OLZOCXBDSA-N 2 0 327.419 2.460 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)C1)[NH+](C)C ZINC001480623849 1106784529 /nfs/dbraw/zinc/78/45/29/1106784529.db2.gz RNYCYXNAZQZRRQ-HKUYNNGSSA-N 2 0 347.503 2.232 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001480683933 1106875992 /nfs/dbraw/zinc/87/59/92/1106875992.db2.gz UXMIWIUJNXIWGD-AWEZNQCLSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001454257739 1106979509 /nfs/dbraw/zinc/97/95/09/1106979509.db2.gz ADXCQDMWBMYLEA-RKVPGOIHSA-N 2 0 333.451 2.041 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498189608 1107051481 /nfs/dbraw/zinc/05/14/81/1107051481.db2.gz DMYWXPWDWWLPKT-GXTWGEPZSA-N 2 0 343.393 2.251 10 0 EEAERP COc1ccc(C(C)C)cc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190660 1107052665 /nfs/dbraw/zinc/05/26/65/1107052665.db2.gz QKWSZKCOHMTRQC-RDJZCZTQSA-N 2 0 347.503 2.365 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001480813916 1107164428 /nfs/dbraw/zinc/16/44/28/1107164428.db2.gz PCAOYTHCSKGOJN-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC001480832727 1107229325 /nfs/dbraw/zinc/22/93/25/1107229325.db2.gz FPKMZJMSMRCYFB-OAHLLOKOSA-N 2 0 336.505 2.100 10 0 EEAERP Cc1ncoc1CN(C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498422637 1107492636 /nfs/dbraw/zinc/49/26/36/1107492636.db2.gz OPIIBPAQBOAXPT-AWEZNQCLSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001498458570 1107569905 /nfs/dbraw/zinc/56/99/05/1107569905.db2.gz RWSJALNPTSDOHG-ZWKOTPCHSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001498490527 1107626614 /nfs/dbraw/zinc/62/66/14/1107626614.db2.gz YTNOFUCYEDRDSZ-DOTOQJQBSA-N 2 0 348.491 2.232 10 0 EEAERP CN(CCC[NH2+]Cc1ccon1)C(=O)c1sccc1C[NH+](C)C ZINC001498556529 1107716426 /nfs/dbraw/zinc/71/64/26/1107716426.db2.gz RCSPJQHHVSEQOE-UHFFFAOYSA-N 2 0 336.461 2.050 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498597778 1107783963 /nfs/dbraw/zinc/78/39/63/1107783963.db2.gz NJWPKSXVZYZITH-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001498607153 1107800241 /nfs/dbraw/zinc/80/02/41/1107800241.db2.gz UKPAVYOQIPCTOI-CYBMUJFWSA-N 2 0 327.419 2.416 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001498819574 1108162684 /nfs/dbraw/zinc/16/26/84/1108162684.db2.gz VIBMSDRIRHGCQZ-HIFRSBDPSA-N 2 0 331.451 2.248 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498822826 1108169129 /nfs/dbraw/zinc/16/91/29/1108169129.db2.gz SJVREHGANXZNOX-APWZRJJASA-N 2 0 339.499 2.483 10 0 EEAERP O=C(N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001498848574 1108217809 /nfs/dbraw/zinc/21/78/09/1108217809.db2.gz FJENRQIBWHKYQG-ANNCEPNESA-N 2 0 339.911 2.345 10 0 EEAERP CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCCCF ZINC001498901724 1108300070 /nfs/dbraw/zinc/30/00/70/1108300070.db2.gz HLKRHLLOAPTNQF-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2cccc(Cl)n2)CC1 ZINC001493742135 1108607925 /nfs/dbraw/zinc/60/79/25/1108607925.db2.gz MZUZTMUTEZXNOP-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nc2cc(C)ccc2s1)[NH+](C)C ZINC001493764439 1108639886 /nfs/dbraw/zinc/63/98/86/1108639886.db2.gz UXYZSNYJTGHNLC-HNNXBMFYSA-N 2 0 348.516 2.493 10 0 EEAERP OCC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC001460964999 1110330221 /nfs/dbraw/zinc/33/02/21/1110330221.db2.gz KGDFGKBBTSGPMB-WOJBJXKFSA-N 2 0 332.488 2.095 10 0 EEAERP O=C(CC[N@@H+]1CC[C@H](F)C1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC001466570968 1110438715 /nfs/dbraw/zinc/43/87/15/1110438715.db2.gz MBMXVCSAIJHLQY-INIZCTEOSA-N 2 0 349.450 2.016 10 0 EEAERP C[N@H+](CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)C1CCCCC1 ZINC001479468917 1110698715 /nfs/dbraw/zinc/69/87/15/1110698715.db2.gz YXZZQBVAAQADDX-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCCc2cccc(C)c2)C1 ZINC001499768096 1112478559 /nfs/dbraw/zinc/47/85/59/1112478559.db2.gz WZWWUPSBUBQIPF-UHFFFAOYSA-N 2 0 331.504 2.412 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001499883208 1112528489 /nfs/dbraw/zinc/52/84/89/1112528489.db2.gz SULNZBREWLDVRX-HKUYNNGSSA-N 2 0 345.487 2.049 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001499920330 1112541164 /nfs/dbraw/zinc/54/11/64/1112541164.db2.gz BTAZVTKHOZYCRR-KRWDZBQOSA-N 2 0 335.467 2.291 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCC1 ZINC001500097641 1112615713 /nfs/dbraw/zinc/61/57/13/1112615713.db2.gz YTUDBGIRBKPJHZ-JHCSKLMMSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001500107466 1112620512 /nfs/dbraw/zinc/62/05/12/1112620512.db2.gz SBIWNUTWTZOGJB-KRWDZBQOSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCF)C1CCCC1)[NH+]1CCCC1 ZINC001500132079 1112631542 /nfs/dbraw/zinc/63/15/42/1112631542.db2.gz ZVFPPWHCFQUUAU-SJORKVTESA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCF)C1CCCC1)[NH+]1CCCC1 ZINC001500132077 1112631635 /nfs/dbraw/zinc/63/16/35/1112631635.db2.gz ZVFPPWHCFQUUAU-IAGOWNOFSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500164141 1112649283 /nfs/dbraw/zinc/64/92/83/1112649283.db2.gz XRSGZZROPVFORG-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCOc2ccccc2)C1 ZINC001501152827 1113216896 /nfs/dbraw/zinc/21/68/96/1113216896.db2.gz FHNZIADONCIYHF-MSOLQXFVSA-N 2 0 347.503 2.090 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001501166127 1113223729 /nfs/dbraw/zinc/22/37/29/1113223729.db2.gz HVSQNPWCMSXDBL-YYIAUSFCSA-N 2 0 327.488 2.434 10 0 EEAERP Cc1ccccc1C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001501952055 1113534612 /nfs/dbraw/zinc/53/46/12/1113534612.db2.gz IFVOMPUMCDWJKW-IBGZPJMESA-N 2 0 341.499 2.465 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001502986221 1113866785 /nfs/dbraw/zinc/86/67/85/1113866785.db2.gz JZOCEYZFVKBUQS-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)ccc1C ZINC001502987944 1113867519 /nfs/dbraw/zinc/86/75/19/1113867519.db2.gz NFKCWGNPCSFVQY-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP C[N@H+](CCc1ccccc1F)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001505423677 1113958003 /nfs/dbraw/zinc/95/80/03/1113958003.db2.gz AISKOUOKPIXEFJ-MJGOQNOKSA-N 2 0 347.478 2.385 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCc1ccccc1 ZINC001505920835 1114277503 /nfs/dbraw/zinc/27/75/03/1114277503.db2.gz UPIQYZDWYWYJJV-QFBILLFUSA-N 2 0 329.488 2.007 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCc1ccsc1 ZINC001506038626 1114365633 /nfs/dbraw/zinc/36/56/33/1114365633.db2.gz LWVFOOPZCZTJJJ-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506747812 1114860956 /nfs/dbraw/zinc/86/09/56/1114860956.db2.gz IGRLSEFSFZGVMJ-GOSISDBHSA-N 2 0 347.503 2.282 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001506828627 1114899104 /nfs/dbraw/zinc/89/91/04/1114899104.db2.gz ICBRUCMZXRKAED-LDLYASANSA-N 2 0 333.520 2.347 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC001506863943 1114931620 /nfs/dbraw/zinc/93/16/20/1114931620.db2.gz BOLFVCZBSDZSAU-UHFFFAOYSA-N 2 0 344.503 2.238 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001506887019 1114951529 /nfs/dbraw/zinc/95/15/29/1114951529.db2.gz ZCPFPPOKZUSEJX-DJIMGWMZSA-N 2 0 348.491 2.096 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC001506906347 1114963475 /nfs/dbraw/zinc/96/34/75/1114963475.db2.gz QTERHJCNOBURLQ-FQUUOJAGSA-N 2 0 348.318 2.006 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cncc(F)c3)C2)CCC1 ZINC001507398317 1115250854 /nfs/dbraw/zinc/25/08/54/1115250854.db2.gz JAFKRQQFYYUDBT-PBHICJAKSA-N 2 0 348.466 2.080 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001507426554 1115262503 /nfs/dbraw/zinc/26/25/03/1115262503.db2.gz GTWKBLLKFMGZQM-CHWSQXEVSA-N 2 0 334.291 2.276 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)CC[N@@H+]1C ZINC001507434410 1115267091 /nfs/dbraw/zinc/26/70/91/1115267091.db2.gz VSGBAPBSNXGYLG-MJBXVCDLSA-N 2 0 349.441 2.496 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508019683 1115389654 /nfs/dbraw/zinc/38/96/54/1115389654.db2.gz CUMVKNIKVPRFDT-IRXDYDNUSA-N 2 0 341.540 2.406 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C(C)(C)C ZINC001508034158 1115396276 /nfs/dbraw/zinc/39/62/76/1115396276.db2.gz XDLSJVROHKEQMI-QGZVFWFLSA-N 2 0 349.523 2.145 10 0 EEAERP CC[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001545571144 1124196664 /nfs/dbraw/zinc/19/66/64/1124196664.db2.gz BHQIAYDTHIKXRI-ULQDDVLXSA-N 2 0 348.539 2.416 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCc1ccccc1F)C1CC1 ZINC001568015949 1124231035 /nfs/dbraw/zinc/23/10/35/1124231035.db2.gz GLELWFSWBZTUBD-UYAOXDASSA-N 2 0 347.478 2.337 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001568085237 1124290643 /nfs/dbraw/zinc/29/06/43/1124290643.db2.gz UEEPEYOYQXCSRC-NVXWUHKLSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001568098498 1124302229 /nfs/dbraw/zinc/30/22/29/1124302229.db2.gz WFQIXEGXOVQMOP-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001568368663 1124441402 /nfs/dbraw/zinc/44/14/02/1124441402.db2.gz GUUMWTJHLGXKJZ-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001568412196 1124481310 /nfs/dbraw/zinc/48/13/10/1124481310.db2.gz OQTVWRYLWABZOS-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ocnc2C)C1 ZINC001568669903 1124684307 /nfs/dbraw/zinc/68/43/07/1124684307.db2.gz YRHGDSVZXDLADB-HOCLYGCPSA-N 2 0 336.480 2.089 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568730416 1124744572 /nfs/dbraw/zinc/74/45/72/1124744572.db2.gz BOEOOTREOLKZDO-LJQANCHMSA-N 2 0 340.471 2.267 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)C12CC[NH+](CC1)C2 ZINC001568791257 1124803156 /nfs/dbraw/zinc/80/31/56/1124803156.db2.gz CEHBGJWGUYPJCU-UHFFFAOYSA-N 2 0 333.451 2.168 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F)C12CC[NH+](CC1)C2 ZINC001568949621 1124982955 /nfs/dbraw/zinc/98/29/55/1124982955.db2.gz FMFSZHLMTGSVPZ-LPQSXRFUSA-N 2 0 343.446 2.171 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001569213709 1125169875 /nfs/dbraw/zinc/16/98/75/1125169875.db2.gz JHOKXXSWHDPGMS-OAHLLOKOSA-N 2 0 332.448 2.106 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001565878247 1125448275 /nfs/dbraw/zinc/44/82/75/1125448275.db2.gz HDJHRNSNHLLEFF-MGPQQGTHSA-N 2 0 335.414 2.155 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)CC[NH2+]CC1 ZINC000422705827 240185359 /nfs/dbraw/zinc/18/53/59/240185359.db2.gz SHEDDBHPLUODMS-QWHCGFSZSA-N 2 0 325.478 2.424 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCc2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422818475 240245973 /nfs/dbraw/zinc/24/59/73/240245973.db2.gz GJVVNAGCLKKXTC-ZDUSSCGKSA-N 2 0 340.414 2.418 10 0 EEAERP O=C(C[NH2+]C1(c2ccccc2)CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000438718633 242046462 /nfs/dbraw/zinc/04/64/62/242046462.db2.gz DACBZSNNOJYDHN-UHFFFAOYSA-N 2 0 327.472 2.398 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000071871114 203132517 /nfs/dbraw/zinc/13/25/17/203132517.db2.gz RVHJRKUTXLMEGL-INIZCTEOSA-N 2 0 340.471 2.326 10 0 EEAERP CCn1ccnc1C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000075131263 203305104 /nfs/dbraw/zinc/30/51/04/203305104.db2.gz SJFUPSZTBLFROT-IBGZPJMESA-N 2 0 342.487 2.438 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000107886965 204250035 /nfs/dbraw/zinc/25/00/35/204250035.db2.gz MFNYNXCEWJYCOS-RBUKOAKNSA-N 2 0 329.488 2.357 10 0 EEAERP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000237131506 204395386 /nfs/dbraw/zinc/39/53/86/204395386.db2.gz OJRXTYYTIOJGQE-INIZCTEOSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127777700 205117735 /nfs/dbraw/zinc/11/77/35/205117735.db2.gz JKFPPJOGLOHMFE-MOPGFXCFSA-N 2 0 329.488 2.104 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C(C)C ZINC000465975775 285277849 /nfs/dbraw/zinc/27/78/49/285277849.db2.gz BZJGXHURXJVJOA-SJORKVTESA-N 2 0 326.529 2.336 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000079734650 292197511 /nfs/dbraw/zinc/19/75/11/292197511.db2.gz IFCZTIORJGGULG-IBGZPJMESA-N 2 0 346.519 2.335 10 0 EEAERP CC1CC[NH+](CCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000075314463 159073862 /nfs/dbraw/zinc/07/38/62/159073862.db2.gz PNKJZAMPVMIJEG-AYHJJNSGSA-N 2 0 336.524 2.423 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245611186 160244584 /nfs/dbraw/zinc/24/45/84/160244584.db2.gz BPDVXWBPBSWFBP-QZTJIDSGSA-N 2 0 330.476 2.217 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245921075 160257273 /nfs/dbraw/zinc/25/72/73/160257273.db2.gz MDWUQLSYYSXPPD-ZWKOTPCHSA-N 2 0 336.524 2.378 10 0 EEAERP CN(C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000341882313 161021108 /nfs/dbraw/zinc/02/11/08/161021108.db2.gz KSHISUFCAFHUKY-NHCUHLMSSA-N 2 0 343.515 2.446 10 0 EEAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CN(C)C[C@@H]3C)CC2)cc1 ZINC000343893909 161178411 /nfs/dbraw/zinc/17/84/11/161178411.db2.gz JOTYQHHQAGKPSJ-JXFKEZNVSA-N 2 0 331.504 2.447 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000346370473 161367117 /nfs/dbraw/zinc/36/71/17/161367117.db2.gz KWDTYZMEEBJOLJ-AEFFLSMTSA-N 2 0 344.503 2.041 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000352736040 162265936 /nfs/dbraw/zinc/26/59/36/162265936.db2.gz QRRJQDGZDVCFDW-INIZCTEOSA-N 2 0 326.444 2.050 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000364858363 165296942 /nfs/dbraw/zinc/29/69/42/165296942.db2.gz LYQKNBBWYIHDBL-SLFFLAALSA-N 2 0 337.552 2.445 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375665451 167177927 /nfs/dbraw/zinc/17/79/27/167177927.db2.gz QIWWFGPTMOBEAE-QZTJIDSGSA-N 2 0 345.418 2.418 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000173669049 287220053 /nfs/dbraw/zinc/22/00/53/287220053.db2.gz QLWHLWDPGBVWIJ-QZTJIDSGSA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000272679783 269007540 /nfs/dbraw/zinc/00/75/40/269007540.db2.gz RXEZRNYTINYAMK-MSOLQXFVSA-N 2 0 344.503 2.463 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](CC)CC ZINC000275572474 269126206 /nfs/dbraw/zinc/12/62/06/269126206.db2.gz FIGVAUQKSRDXKC-OALUTQOASA-N 2 0 346.519 2.482 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277337409 274285051 /nfs/dbraw/zinc/28/50/51/274285051.db2.gz SFRIXPWBDGPNJS-INIZCTEOSA-N 2 0 333.476 2.183 10 0 EEAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[NH+](C)C ZINC000288275921 275041758 /nfs/dbraw/zinc/04/17/58/275041758.db2.gz HCHJCQLFYXMMHI-IRXDYDNUSA-N 2 0 345.487 2.326 10 0 EEAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292148001 275384485 /nfs/dbraw/zinc/38/44/85/275384485.db2.gz NFQLBKGGYAXLFC-LJQANCHMSA-N 2 0 331.460 2.442 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000121439802 289188657 /nfs/dbraw/zinc/18/86/57/289188657.db2.gz LGSPXCKLARZFBF-MAUKXSAKSA-N 2 0 330.476 2.073 10 0 EEAERP COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1C ZINC000297620698 294298396 /nfs/dbraw/zinc/29/83/96/294298396.db2.gz VVAKDWGRJCSRJZ-UHFFFAOYSA-N 2 0 341.415 2.001 10 0 EEAERP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416851870 313336355 /nfs/dbraw/zinc/33/63/55/313336355.db2.gz RUUICXYHADNQNW-SWDXFRIISA-N 2 0 344.503 2.084 10 0 EEAERP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416906793 313357032 /nfs/dbraw/zinc/35/70/32/313357032.db2.gz SOEYXMZCLWZNPO-GOSISDBHSA-N 2 0 332.492 2.455 10 0 EEAERP CC(C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000417002292 313389939 /nfs/dbraw/zinc/38/99/39/313389939.db2.gz GBQNDTIFXSBOEV-CABCVRRESA-N 2 0 346.466 2.039 10 0 EEAERP [NH3+]C1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCCCC1 ZINC000417006110 313391927 /nfs/dbraw/zinc/39/19/27/313391927.db2.gz JLQSXOFDVZWQQM-UHFFFAOYSA-N 2 0 344.503 2.396 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000417316986 313483223 /nfs/dbraw/zinc/48/32/23/313483223.db2.gz VMHYZCFCGDNZCT-HZPDHXFCSA-N 2 0 334.464 2.198 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418499676 313830536 /nfs/dbraw/zinc/83/05/36/313830536.db2.gz MAZNUNJSHJKARS-FSPWUOQZSA-N 2 0 326.444 2.137 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000422605658 314294131 /nfs/dbraw/zinc/29/41/31/314294131.db2.gz GOWQKXMVKAGECQ-UHFFFAOYSA-N 2 0 332.492 2.072 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000448471771 315371568 /nfs/dbraw/zinc/37/15/68/315371568.db2.gz MDUUPMVILFAPMI-FUHWJXTLSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502748786 316351986 /nfs/dbraw/zinc/35/19/86/316351986.db2.gz KVZBXWIECIFVJX-CEXWTWQISA-N 2 0 349.519 2.105 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015833 317303147 /nfs/dbraw/zinc/30/31/47/317303147.db2.gz ZEJSAOOEMXPWLU-CJNGLKHVSA-N 2 0 337.489 2.002 10 0 EEAERP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000536828865 318010771 /nfs/dbraw/zinc/01/07/71/318010771.db2.gz WSHZTISRWRBKKZ-SJLPKXTDSA-N 2 0 344.503 2.420 10 0 EEAERP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccn(C)n1 ZINC000544566008 318191236 /nfs/dbraw/zinc/19/12/36/318191236.db2.gz RBLDIYZZRZVKLA-QGZVFWFLSA-N 2 0 333.524 2.411 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n1C ZINC000563441027 319011697 /nfs/dbraw/zinc/01/16/97/319011697.db2.gz VCZFHJPFGYZWEU-OAHLLOKOSA-N 2 0 340.406 2.231 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000566190962 319258394 /nfs/dbraw/zinc/25/83/94/319258394.db2.gz XXSBPGYKMUYBTL-UHFFFAOYSA-N 2 0 339.524 2.147 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000567571845 319391817 /nfs/dbraw/zinc/39/18/17/319391817.db2.gz HDXNVODYLHUOCN-QFBILLFUSA-N 2 0 344.503 2.470 10 0 EEAERP CCc1ccc([C@H](CNC(=O)COC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000575799079 320115193 /nfs/dbraw/zinc/11/51/93/320115193.db2.gz QYMKYKBRHJFAOQ-ACBHZAAOSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000578051263 320291350 /nfs/dbraw/zinc/29/13/50/320291350.db2.gz GKNSNOZDEQQPJT-YJBOKZPZSA-N 2 0 330.476 2.304 10 0 EEAERP C[C@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000581806435 324321986 /nfs/dbraw/zinc/32/19/86/324321986.db2.gz IZARDXBXTZNRSG-QXAKKESOSA-N 2 0 329.488 2.403 10 0 EEAERP CCC[C@@H](C(=O)N1CCCN(Cc2cnn(CCC)c2)CC1)[NH+](C)C ZINC000153009461 462605540 /nfs/dbraw/zinc/60/55/40/462605540.db2.gz PNNLTAQGDVMBBP-SFHVURJKSA-N 2 0 349.523 2.058 10 0 EEAERP O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000347802648 465236683 /nfs/dbraw/zinc/23/66/83/465236683.db2.gz WWBJAJKYMWJPLV-HXUWFJFHSA-N 2 0 341.499 2.340 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000339484897 465301749 /nfs/dbraw/zinc/30/17/49/465301749.db2.gz QYUWJILGBHYUHU-SFHVURJKSA-N 2 0 346.519 2.333 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000074713921 462627657 /nfs/dbraw/zinc/62/76/57/462627657.db2.gz FONXZHFRLHGJOE-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H](NC(=O)NC1CCN(c2ccccn2)CC1)C(C)(C)C[NH+](C)C ZINC000119403346 462897759 /nfs/dbraw/zinc/89/77/59/462897759.db2.gz MEBNMSRUTLVXDZ-OAHLLOKOSA-N 2 0 347.507 2.326 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000052518946 463084552 /nfs/dbraw/zinc/08/45/52/463084552.db2.gz HPFTXMVQRDSYNB-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000121805706 463197459 /nfs/dbraw/zinc/19/74/59/463197459.db2.gz GTTFXDPCTUGWQV-OAHLLOKOSA-N 2 0 328.464 2.435 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000069329123 463230515 /nfs/dbraw/zinc/23/05/15/463230515.db2.gz JPHDWWDRCNIQEQ-CYBMUJFWSA-N 2 0 336.867 2.170 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778498 463251136 /nfs/dbraw/zinc/25/11/36/463251136.db2.gz JFSUDZBZELXWBL-MJGOQNOKSA-N 2 0 340.471 2.039 10 0 EEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261627165 463807535 /nfs/dbraw/zinc/80/75/35/463807535.db2.gz CRFRUIYZKAQJMD-DNVCBOLYSA-N 2 0 345.487 2.082 10 0 EEAERP C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CC[NH2+]C1 ZINC000262055300 463936540 /nfs/dbraw/zinc/93/65/40/463936540.db2.gz QPGBMVLHPUJKRO-DYVFJYSZSA-N 2 0 336.867 2.385 10 0 EEAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897150 463943062 /nfs/dbraw/zinc/94/30/62/463943062.db2.gz AWAACQPUAQMKBU-MOPGFXCFSA-N 2 0 342.487 2.313 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171901109 463945591 /nfs/dbraw/zinc/94/55/91/463945591.db2.gz CCPSJTGUVDZXMX-KZNAEPCWSA-N 2 0 336.524 2.234 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COCc2cccs2)[C@H](C)C1 ZINC000178979216 464028309 /nfs/dbraw/zinc/02/83/09/464028309.db2.gz CXHOFZQDBHIZDB-VYDXJSESSA-N 2 0 326.506 2.288 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173928323 464333506 /nfs/dbraw/zinc/33/35/06/464333506.db2.gz MIKPLMBBWBCQSF-IAGOWNOFSA-N 2 0 344.459 2.072 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CCOC)CC1)c1ccccc1 ZINC000264536016 464362952 /nfs/dbraw/zinc/36/29/52/464362952.db2.gz NQKWYGBDAYSUTB-LJQANCHMSA-N 2 0 347.503 2.250 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(F)cc1 ZINC000174159038 464369490 /nfs/dbraw/zinc/36/94/90/464369490.db2.gz DDSABZJFUYARMF-QZTJIDSGSA-N 2 0 346.450 2.084 10 0 EEAERP [NH3+][C@H](CCC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000237918478 464404293 /nfs/dbraw/zinc/40/42/93/464404293.db2.gz XQEIWCMLYUYUIE-GOSISDBHSA-N 2 0 326.444 2.158 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2cccs2)[C@H](C)C1 ZINC000246436596 464584762 /nfs/dbraw/zinc/58/47/62/464584762.db2.gz CXHOFZQDBHIZDB-INMHGKMJSA-N 2 0 326.506 2.288 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246507109 464593022 /nfs/dbraw/zinc/59/30/22/464593022.db2.gz SYPXNZKEBAMDID-ROUUACIJSA-N 2 0 338.540 2.480 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725034 464609526 /nfs/dbraw/zinc/60/95/26/464609526.db2.gz VFLSWTZTKRRSFV-APWZRJJASA-N 2 0 347.503 2.316 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272548456 464655811 /nfs/dbraw/zinc/65/58/11/464655811.db2.gz QQTCOALNSBDKBA-UHFFFAOYSA-N 2 0 333.476 2.089 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000579833845 468420929 /nfs/dbraw/zinc/42/09/29/468420929.db2.gz ISVWQDPUIPSIRX-SFHVURJKSA-N 2 0 330.476 2.127 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000249748756 464911442 /nfs/dbraw/zinc/91/14/42/464911442.db2.gz BJTHKXCTLIQHQM-DLBZAZTESA-N 2 0 336.455 2.212 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348048826 465391960 /nfs/dbraw/zinc/39/19/60/465391960.db2.gz WOBDOGMSPIRANI-AFKBCAQJSA-N 2 0 341.499 2.496 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC2)[C@@H]1c1cccs1 ZINC000337665348 465505392 /nfs/dbraw/zinc/50/53/92/465505392.db2.gz TWDSAUBLZOFMDU-GDBMZVCRSA-N 2 0 336.505 2.136 10 0 EEAERP Cc1ccc([C@H](Cn2ccnc2)NC(=O)NCC[NH+]2CCC2)c(C)c1 ZINC000337732657 465546180 /nfs/dbraw/zinc/54/61/80/465546180.db2.gz YEWVXQQSYFBGNH-SFHVURJKSA-N 2 0 341.459 2.246 10 0 EEAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366415219 465711425 /nfs/dbraw/zinc/71/14/25/465711425.db2.gz AHCFDYNGQFNJAM-SFHVURJKSA-N 2 0 345.535 2.337 10 0 EEAERP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000340299449 465968372 /nfs/dbraw/zinc/96/83/72/465968372.db2.gz HDTIJRDTISLMPW-MSOLQXFVSA-N 2 0 330.476 2.167 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000591568316 468485343 /nfs/dbraw/zinc/48/53/43/468485343.db2.gz LLOHNGWFLYJGLQ-CVEARBPZSA-N 2 0 340.508 2.493 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000305232682 466387286 /nfs/dbraw/zinc/38/72/86/466387286.db2.gz ZDVBBQSANUMODP-GOSISDBHSA-N 2 0 331.504 2.423 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000354368299 466511519 /nfs/dbraw/zinc/51/15/19/466511519.db2.gz UODGTROIYRNENJ-SFHVURJKSA-N 2 0 341.499 2.379 10 0 EEAERP C[N@H+](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000372972692 466650594 /nfs/dbraw/zinc/65/05/94/466650594.db2.gz IGKSUVMLIUKIJV-UHFFFAOYSA-N 2 0 344.503 2.435 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccnc1 ZINC000423381104 466733191 /nfs/dbraw/zinc/73/31/91/466733191.db2.gz HRIWTBRCQZBROA-GJZGRUSLSA-N 2 0 330.398 2.204 10 0 EEAERP COc1ccc([C@H](N[C@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423468406 466754016 /nfs/dbraw/zinc/75/40/16/466754016.db2.gz BXAOMUAXVRFGGY-PMPSAXMXSA-N 2 0 325.403 2.075 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417032979 466759933 /nfs/dbraw/zinc/75/99/33/466759933.db2.gz FELUSQILUOUDKT-PKOBYXMFSA-N 2 0 336.524 2.284 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417200920 466800540 /nfs/dbraw/zinc/80/05/40/466800540.db2.gz VDXHCKZEIHVXNE-OALUTQOASA-N 2 0 346.519 2.366 10 0 EEAERP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000668477179 472140049 /nfs/dbraw/zinc/14/00/49/472140049.db2.gz WXLNXUGHRMRTGW-ATZDWAIDSA-N 2 0 333.476 2.206 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417579819 466887009 /nfs/dbraw/zinc/88/70/09/466887009.db2.gz BQAOJEVXBCQAPE-ODLRDIKDSA-N 2 0 330.476 2.217 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@H+](C)Cc1ccccc1 ZINC000417588217 466888652 /nfs/dbraw/zinc/88/86/52/466888652.db2.gz OSONSROYJKPUKK-QRQLOZEOSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000417590443 466889200 /nfs/dbraw/zinc/88/92/00/466889200.db2.gz RFRQZTILDIBXGY-YLJYHZDGSA-N 2 0 344.503 2.292 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417664580 466902594 /nfs/dbraw/zinc/90/25/94/466902594.db2.gz WXHXUQJELSBLEE-SUMWQHHRSA-N 2 0 336.455 2.299 10 0 EEAERP C[C@@H](C[NH3+])N(C)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417692370 466909911 /nfs/dbraw/zinc/90/99/11/466909911.db2.gz YEIPNICVDBWTGJ-MAUKXSAKSA-N 2 0 346.519 2.448 10 0 EEAERP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417692372 466910513 /nfs/dbraw/zinc/91/05/13/466910513.db2.gz YEIPNICVDBWTGJ-YJBOKZPZSA-N 2 0 346.519 2.448 10 0 EEAERP CC(C)[C@@H](CNC(=O)N[C@H]1CCc2nc[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000370680354 466963227 /nfs/dbraw/zinc/96/32/27/466963227.db2.gz GJXPJEJDTHKKQL-MAUKXSAKSA-N 2 0 347.507 2.323 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417910164 466982499 /nfs/dbraw/zinc/98/24/99/466982499.db2.gz JHFVBHPNJCCYPF-HRBLRVMOSA-N 2 0 336.524 2.279 10 0 EEAERP C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417961672 467003480 /nfs/dbraw/zinc/00/34/80/467003480.db2.gz YUTOAXCAEYSFKE-WFASDCNBSA-N 2 0 342.846 2.120 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417981936 467009478 /nfs/dbraw/zinc/00/94/78/467009478.db2.gz MRHCTEOOVAKFIR-NXHRZFHOSA-N 2 0 330.476 2.043 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418137526 467056588 /nfs/dbraw/zinc/05/65/88/467056588.db2.gz SXKCHSCGEFONJL-KNXWPPODSA-N 2 0 334.508 2.034 10 0 EEAERP CN(C(=O)NCCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418288191 467088812 /nfs/dbraw/zinc/08/88/12/467088812.db2.gz VTWBJPSVAQWDNS-GOSISDBHSA-N 2 0 330.476 2.044 10 0 EEAERP [NH3+]CCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418350752 467096511 /nfs/dbraw/zinc/09/65/11/467096511.db2.gz LQNPUFOTWRQIFI-IBGZPJMESA-N 2 0 330.476 2.033 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000418461302 467114266 /nfs/dbraw/zinc/11/42/66/467114266.db2.gz LOLNJGCZFIEPSR-ZOCIIQOWSA-N 2 0 338.455 2.343 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418584465 467131842 /nfs/dbraw/zinc/13/18/42/467131842.db2.gz XOARRHCBCURWDG-AEFFLSMTSA-N 2 0 336.524 2.282 10 0 EEAERP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000418589725 467132551 /nfs/dbraw/zinc/13/25/51/467132551.db2.gz JDOLNXHLKHAAEU-QXAKKESOSA-N 2 0 344.503 2.290 10 0 EEAERP CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418672315 467144102 /nfs/dbraw/zinc/14/41/02/467144102.db2.gz MLCVDNTWUSBUIH-MSOLQXFVSA-N 2 0 330.476 2.345 10 0 EEAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000428525479 467242253 /nfs/dbraw/zinc/24/22/53/467242253.db2.gz ZUHHHCHZETZLIQ-QGZVFWFLSA-N 2 0 347.503 2.057 10 0 EEAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428541750 467244477 /nfs/dbraw/zinc/24/44/77/467244477.db2.gz CMHVLHNDYSWBAF-XPKDYRNWSA-N 2 0 341.293 2.140 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)NC[C@H]([NH3+])c3ccccc3)ccc21 ZINC000429112779 467301624 /nfs/dbraw/zinc/30/16/24/467301624.db2.gz JGBAHWVGNXMFCV-SFHVURJKSA-N 2 0 336.439 2.420 10 0 EEAERP O=C(NCc1ccccc1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326344 467356920 /nfs/dbraw/zinc/35/69/20/467356920.db2.gz XHKURIUISWVKKD-GOSISDBHSA-N 2 0 329.488 2.405 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[NH+]1CCCC1 ZINC000414058825 467371149 /nfs/dbraw/zinc/37/11/49/467371149.db2.gz HWXLAJLNJBAMHQ-CYBMUJFWSA-N 2 0 342.281 2.075 10 0 EEAERP O=C1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1 ZINC000390843948 467415880 /nfs/dbraw/zinc/41/58/80/467415880.db2.gz FKZBALKHOMXVBZ-MVCQKVDPSA-N 2 0 327.472 2.440 10 0 EEAERP C[C@@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397901259 467444850 /nfs/dbraw/zinc/44/48/50/467444850.db2.gz SPHSOKAOFKPQTR-UXHICEINSA-N 2 0 331.504 2.087 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404441727 467475600 /nfs/dbraw/zinc/47/56/00/467475600.db2.gz VCZNVIZZGYPMOC-VYIWNADRSA-N 2 0 329.488 2.352 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCOC[C@@H]2C)CC1 ZINC000449222248 467624265 /nfs/dbraw/zinc/62/42/65/467624265.db2.gz HTSGUJLIJBSLNW-OALUTQOASA-N 2 0 345.531 2.392 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000449234629 467625184 /nfs/dbraw/zinc/62/51/84/467625184.db2.gz QXBQZTCFRFMMHL-DYESRHJHSA-N 2 0 346.515 2.459 10 0 EEAERP C[N@@H+]1CC[C@](O)(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245292 467625724 /nfs/dbraw/zinc/62/57/24/467625724.db2.gz ZVJOKPGXONSXQV-IBGZPJMESA-N 2 0 325.541 2.322 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])nc2)CC1 ZINC000514670262 467947559 /nfs/dbraw/zinc/94/75/59/467947559.db2.gz PNQRHSINYMQLSA-IAGOWNOFSA-N 2 0 345.491 2.070 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000515143568 467975981 /nfs/dbraw/zinc/97/59/81/467975981.db2.gz KYLSCDRBRCFMAY-NEPXVJNWSA-N 2 0 344.503 2.194 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000531204639 468035986 /nfs/dbraw/zinc/03/59/86/468035986.db2.gz LKWOWJZEAUDEPB-GOSISDBHSA-N 2 0 342.487 2.303 10 0 EEAERP C[C@@H]1C[C@H](Nc2cncc(N[C@H]3CC[N@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000519013748 468136545 /nfs/dbraw/zinc/13/65/45/468136545.db2.gz BRYQGRMCIUNVPA-FPCVCCKLSA-N 2 0 332.496 2.266 10 0 EEAERP CCC[C@H](O)[C@@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519763008 468206167 /nfs/dbraw/zinc/20/61/67/468206167.db2.gz CDYQHXMATMAWJC-OTWHNJEPSA-N 2 0 332.488 2.295 10 0 EEAERP C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557180285 468618899 /nfs/dbraw/zinc/61/88/99/468618899.db2.gz FOYYSQHWDPSDFC-NEPXVJNWSA-N 2 0 344.503 2.194 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000600708408 468628245 /nfs/dbraw/zinc/62/82/45/468628245.db2.gz COYASSXJBVOPPW-LLVKDONJSA-N 2 0 348.228 2.178 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000595022335 468745028 /nfs/dbraw/zinc/74/50/28/468745028.db2.gz LHXASSCSBZFPFJ-USXIJHARSA-N 2 0 340.508 2.322 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000571538482 468804502 /nfs/dbraw/zinc/80/45/02/468804502.db2.gz AGBUPHBVDQSXAG-MHORFTMASA-N 2 0 330.476 2.249 10 0 EEAERP COC(=O)c1cc(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)no1 ZINC000601331839 468829922 /nfs/dbraw/zinc/82/99/22/468829922.db2.gz HOPGYYPKQZKESF-UHFFFAOYSA-N 2 0 335.448 2.420 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000561134813 468866304 /nfs/dbraw/zinc/86/63/04/468866304.db2.gz QFNCYURLDIKCMN-KDOFPFPSSA-N 2 0 348.466 2.087 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000561182302 468872214 /nfs/dbraw/zinc/87/22/14/468872214.db2.gz HWLARKZSBMMPPR-WQVCFCJDSA-N 2 0 338.883 2.240 10 0 EEAERP CCOC(=O)CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593729653 469112648 /nfs/dbraw/zinc/11/26/48/469112648.db2.gz HNLUGYPUJRGVKH-BBWFWOEESA-N 2 0 326.481 2.471 10 0 EEAERP C[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)CC1(C)C ZINC000623563938 469693941 /nfs/dbraw/zinc/69/39/41/469693941.db2.gz OBCFVTLWHQKXDG-MOPGFXCFSA-N 2 0 331.504 2.216 10 0 EEAERP C[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)CC1(C)C ZINC000623563939 469693995 /nfs/dbraw/zinc/69/39/95/469693995.db2.gz OBCFVTLWHQKXDG-OALUTQOASA-N 2 0 331.504 2.216 10 0 EEAERP CN(CCC[NH2+]Cc1ccsc1Br)CC[NH+](C)C ZINC000623576213 469698608 /nfs/dbraw/zinc/69/86/08/469698608.db2.gz LIWIPKAQWNVMGQ-UHFFFAOYSA-N 2 0 334.327 2.484 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)CC2 ZINC000623671019 469728847 /nfs/dbraw/zinc/72/88/47/469728847.db2.gz PMUHFWNVKHGVJH-MSOLQXFVSA-N 2 0 338.455 2.269 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000626931792 469760158 /nfs/dbraw/zinc/76/01/58/469760158.db2.gz AMIQSAVGGTYAEO-ZWKOTPCHSA-N 2 0 332.492 2.468 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCCC1 ZINC000626935200 469761920 /nfs/dbraw/zinc/76/19/20/469761920.db2.gz ZUBZBUOKPKXRKN-YTQUADARSA-N 2 0 336.524 2.138 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626998155 469783539 /nfs/dbraw/zinc/78/35/39/469783539.db2.gz IIWXXDXUGOQFLX-XOYOTBSWSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000623903690 469792374 /nfs/dbraw/zinc/79/23/74/469792374.db2.gz NBIXLKGKPPLMQM-RDJZCZTQSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000627170772 469832596 /nfs/dbraw/zinc/83/25/96/469832596.db2.gz ZTBORWGQYVSDSN-RBUKOAKNSA-N 2 0 344.503 2.353 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627194342 469839405 /nfs/dbraw/zinc/83/94/05/469839405.db2.gz AWFPMSGEGBNSHE-HKUYNNGSSA-N 2 0 344.503 2.353 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627195453 469840416 /nfs/dbraw/zinc/84/04/16/469840416.db2.gz KXJVNSFWEGRGAX-WMLDXEAASA-N 2 0 336.455 2.039 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000627199337 469841187 /nfs/dbraw/zinc/84/11/87/469841187.db2.gz VRMBPXOYYGPXBX-WMZOPIPTSA-N 2 0 332.492 2.209 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]1 ZINC000627208957 469845582 /nfs/dbraw/zinc/84/55/82/469845582.db2.gz CUDPWISGBOVUOT-GDAAHCPNSA-N 2 0 342.487 2.043 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634706805 470282856 /nfs/dbraw/zinc/28/28/56/470282856.db2.gz VHVFONNGLXOCCH-RZXSNQJFSA-N 2 0 346.515 2.399 10 0 EEAERP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(-n3cccn3)c1)CCO2 ZINC000646106206 470528950 /nfs/dbraw/zinc/52/89/50/470528950.db2.gz SGKDABZGTNSAOP-UHFFFAOYSA-N 2 0 326.444 2.169 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)COC2CCC([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000646220936 470569797 /nfs/dbraw/zinc/56/97/97/470569797.db2.gz QUGKXMTZQLCSDK-WEOZKBJRSA-N 2 0 345.487 2.052 10 0 EEAERP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)OCO2 ZINC000650723882 470950856 /nfs/dbraw/zinc/95/08/56/470950856.db2.gz VIXKZACLCCNPDA-INMHGKMJSA-N 2 0 348.443 2.285 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644551479 470980833 /nfs/dbraw/zinc/98/08/33/470980833.db2.gz YJTNDZXUCITYSJ-QWFCFKBJSA-N 2 0 333.520 2.332 10 0 EEAERP O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000647899490 471010628 /nfs/dbraw/zinc/01/06/28/471010628.db2.gz MUTNOVBZOVEZSD-CGTJXYLNSA-N 2 0 343.471 2.090 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000651195961 471085789 /nfs/dbraw/zinc/08/57/89/471085789.db2.gz HEQCCXIHDMTAOD-QGZVFWFLSA-N 2 0 338.540 2.480 10 0 EEAERP O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648104018 471088025 /nfs/dbraw/zinc/08/80/25/471088025.db2.gz IYECTQVNIOQIEE-MJGOQNOKSA-N 2 0 341.499 2.298 10 0 EEAERP Cc1c(Br)cncc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000657312176 471094680 /nfs/dbraw/zinc/09/46/80/471094680.db2.gz DSWFUSZFJCRQAJ-UHFFFAOYSA-N 2 0 342.281 2.355 10 0 EEAERP CC(C)(CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCCCC1 ZINC000654890804 471215634 /nfs/dbraw/zinc/21/56/34/471215634.db2.gz BHCFNQQYGZDYOG-UHFFFAOYSA-N 2 0 329.448 2.398 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCn4nccc43)cn2)CC1 ZINC000657839465 471239698 /nfs/dbraw/zinc/23/96/98/471239698.db2.gz WDIJRIQLJMRYHH-QGZVFWFLSA-N 2 0 340.475 2.045 10 0 EEAERP [NH3+]CC1(CCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000652128201 471240765 /nfs/dbraw/zinc/24/07/65/471240765.db2.gz RWCASXNBGRZSHD-QGZVFWFLSA-N 2 0 330.476 2.252 10 0 EEAERP [NH3+]CC1(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000652241945 471260767 /nfs/dbraw/zinc/26/07/67/471260767.db2.gz IVUCFHRYCXMCAY-KRWDZBQOSA-N 2 0 336.524 2.413 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000658109807 471266795 /nfs/dbraw/zinc/26/67/95/471266795.db2.gz XYKDTMSXUKBIPM-IRXDYDNUSA-N 2 0 344.507 2.190 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000652286975 471267055 /nfs/dbraw/zinc/26/70/55/471267055.db2.gz KXQJNNQPHQQMOD-INIZCTEOSA-N 2 0 330.476 2.033 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000652286670 471267198 /nfs/dbraw/zinc/26/71/98/471267198.db2.gz BTDIDQFKOPYDEC-SFHVURJKSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)c2cc(F)ccc2C[NH2+]1 ZINC000663494111 471400117 /nfs/dbraw/zinc/40/01/17/471400117.db2.gz MPCHSLRJVMBYDD-NSHDSACASA-N 2 0 332.448 2.426 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000663502803 471402936 /nfs/dbraw/zinc/40/29/36/471402936.db2.gz BMHOGJNSDLZPKL-UHFFFAOYSA-N 2 0 343.393 2.184 10 0 EEAERP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CS1 ZINC000655730898 471460603 /nfs/dbraw/zinc/46/06/03/471460603.db2.gz VSVOCTNAAWDRRF-WMLDXEAASA-N 2 0 335.517 2.352 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659035936 471477836 /nfs/dbraw/zinc/47/78/36/471477836.db2.gz PDTNTTMJSMQIGC-KRWDZBQOSA-N 2 0 334.464 2.201 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000655805138 471489246 /nfs/dbraw/zinc/48/92/46/471489246.db2.gz CYAROPJKNAKCLF-BZPMIXESSA-N 2 0 328.453 2.220 10 0 EEAERP C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)o1 ZINC000663736749 471497177 /nfs/dbraw/zinc/49/71/77/471497177.db2.gz YQTWVKXICXPZRK-HOCLYGCPSA-N 2 0 336.480 2.086 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655915661 471536421 /nfs/dbraw/zinc/53/64/21/471536421.db2.gz PFMUYGHTFJQREM-YPMHNXCESA-N 2 0 346.397 2.305 10 0 EEAERP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661004344 471583717 /nfs/dbraw/zinc/58/37/17/471583717.db2.gz RKXCRXXIFRBEBJ-VQIMIIECSA-N 2 0 344.503 2.100 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000666925086 471591034 /nfs/dbraw/zinc/59/10/34/471591034.db2.gz RADWIKJMFFRGSH-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659429092 471622006 /nfs/dbraw/zinc/62/20/06/471622006.db2.gz MOUOFRXHUUPTEV-UHFFFAOYSA-N 2 0 330.476 2.161 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000659609723 471698976 /nfs/dbraw/zinc/69/89/76/471698976.db2.gz LDCSOXYQZKQCSA-KURKYZTESA-N 2 0 348.466 2.136 10 0 EEAERP C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000660275864 471924968 /nfs/dbraw/zinc/92/49/68/471924968.db2.gz HABBOTGXHIPVIE-HNNXBMFYSA-N 2 0 329.448 2.302 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000665287417 471990441 /nfs/dbraw/zinc/99/04/41/471990441.db2.gz KQKTZEJUDIJJQO-IRXDYDNUSA-N 2 0 339.524 2.159 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000665289594 471990741 /nfs/dbraw/zinc/99/07/41/471990741.db2.gz RZIGGVDLOGNFIF-OXQOHEQNSA-N 2 0 347.503 2.343 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662309685 472065937 /nfs/dbraw/zinc/06/59/37/472065937.db2.gz MYEOLPCYGLVTEY-BGYRXZFFSA-N 2 0 335.536 2.295 10 0 EEAERP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313139 472066419 /nfs/dbraw/zinc/06/64/19/472066419.db2.gz KCBYGMREYWVODF-CRAIPNDOSA-N 2 0 333.476 2.151 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662658848 472191636 /nfs/dbraw/zinc/19/16/36/472191636.db2.gz KKTIJHBWYZGKIM-WDSOQIARSA-N 2 0 329.488 2.150 10 0 EEAERP [NH3+]C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669072 472197018 /nfs/dbraw/zinc/19/70/18/472197018.db2.gz UTMBHMLHXJKKRR-AEFFLSMTSA-N 2 0 333.451 2.391 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000662884855 472290841 /nfs/dbraw/zinc/29/08/41/472290841.db2.gz PTCFLCRISZWQNB-OALUTQOASA-N 2 0 337.423 2.001 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000679297761 485651338 /nfs/dbraw/zinc/65/13/38/485651338.db2.gz IABOYBLOUIAYMH-WDSOQIARSA-N 2 0 344.503 2.290 10 0 EEAERP COc1ccc(C[C@H](C)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000187141824 533787187 /nfs/dbraw/zinc/78/71/87/533787187.db2.gz NHPAMXODRXLIHR-RDJZCZTQSA-N 2 0 338.467 2.449 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N1CC[NH+](C(C)C)CC1 ZINC000051446143 536469095 /nfs/dbraw/zinc/46/90/95/536469095.db2.gz BKBKEWVOZYJLBC-UHFFFAOYSA-N 2 0 327.270 2.094 10 0 EEAERP CCC[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[NH+](C)C ZINC000187406279 528848268 /nfs/dbraw/zinc/84/82/68/528848268.db2.gz ZKBKZPHMOCNPGO-SFHVURJKSA-N 2 0 332.492 2.497 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000758263211 577620441 /nfs/dbraw/zinc/62/04/41/577620441.db2.gz UJTXQJVOFAXGOZ-SJORKVTESA-N 2 0 348.560 2.484 10 0 EEAERP C[C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCCCC1 ZINC000747547150 577946123 /nfs/dbraw/zinc/94/61/23/577946123.db2.gz MTJDWSZBFOIPTD-CQSZACIVSA-N 2 0 328.420 2.263 10 0 EEAERP C[N@H+]1CC=C(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000925050531 682737873 /nfs/dbraw/zinc/73/78/73/682737873.db2.gz RJTWFXSHHACMTC-UHFFFAOYSA-N 2 0 334.508 2.345 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914410950 683567759 /nfs/dbraw/zinc/56/77/59/683567759.db2.gz CHKYKBRXWPJTTJ-WBVHZDCISA-N 2 0 335.496 2.104 10 0 EEAERP C[C@@H]1CC2(CC([NH2+]C[C@]3(O)CCN(Cc4ccccc4)C3)C2)CO1 ZINC000925133433 684983945 /nfs/dbraw/zinc/98/39/45/684983945.db2.gz PDCLCJOPDVLAGO-SGZDXZSOSA-N 2 0 330.472 2.171 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000897103971 686144531 /nfs/dbraw/zinc/14/45/31/686144531.db2.gz BYOHKEYBXKVYCI-RDJZCZTQSA-N 2 0 330.476 2.402 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904471601 694403929 /nfs/dbraw/zinc/40/39/29/694403929.db2.gz JUCDRKLBEPJMSJ-CJKZEXQZSA-N 3 0 327.472 2.363 10 0 EEAERP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000899180690 693643655 /nfs/dbraw/zinc/64/36/55/693643655.db2.gz ZPIJXJMSQDLGLJ-VJANTYMQSA-N 2 0 327.472 2.232 10 0 EEAERP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485687782 1191897789 /nfs/dbraw/zinc/89/77/89/1191897789.db2.gz OAEQLLVNNSFTRC-BZUAXINKSA-N 2 0 339.524 2.159 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001485724273 1191910712 /nfs/dbraw/zinc/91/07/12/1191910712.db2.gz NKXIJIGOYKLAAG-YJBOKZPZSA-N 2 0 348.491 2.456 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266460088 1176574678 /nfs/dbraw/zinc/57/46/78/1176574678.db2.gz WYYDRVINJMYVNF-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCCN1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266468351 1176592986 /nfs/dbraw/zinc/59/29/86/1176592986.db2.gz OIDIHGXANRZGSZ-LSDHHAIUSA-N 2 0 338.883 2.156 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266473319 1176602933 /nfs/dbraw/zinc/60/29/33/1176602933.db2.gz YTTCNLNCCPSPPU-IAGOWNOFSA-N 2 0 327.488 2.248 10 0 EEAERP CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCF ZINC001670587111 1176930673 /nfs/dbraw/zinc/93/06/73/1176930673.db2.gz FUDUOZNQFIGBOY-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1nc(CNCCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)oc1C ZINC001266724562 1177308994 /nfs/dbraw/zinc/30/89/94/1177308994.db2.gz SNIDMBFEOZLYQU-QGZVFWFLSA-N 2 0 348.491 2.246 10 0 EEAERP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266904477 1177769758 /nfs/dbraw/zinc/76/97/58/1177769758.db2.gz JPQIIMBXCJUMNL-ZBRFXRBCSA-N 2 0 337.483 2.190 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCCCCF)CC2)CC[N@@H+]1C ZINC001266909471 1177780066 /nfs/dbraw/zinc/78/00/66/1177780066.db2.gz ROXNPYJGIRKUHH-RDHHWEPZSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]Cc2ccc(F)cn2)ccc2c[nH+]cn21 ZINC001691373806 1177979441 /nfs/dbraw/zinc/97/94/41/1177979441.db2.gz FGMGAIPTIFAGKF-UHFFFAOYSA-N 2 0 341.390 2.039 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001267136748 1178309185 /nfs/dbraw/zinc/30/91/85/1178309185.db2.gz WTFHYYJYJXQWQF-PKOBYXMFSA-N 2 0 347.503 2.343 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCF)CC1 ZINC001267184517 1178446859 /nfs/dbraw/zinc/44/68/59/1178446859.db2.gz ATIMSKUUMIXOIR-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001267278399 1178663319 /nfs/dbraw/zinc/66/33/19/1178663319.db2.gz JLFCRMZMEAQMHZ-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1Cl)[NH+](C)C ZINC001267429859 1179004389 /nfs/dbraw/zinc/00/43/89/1179004389.db2.gz HPBLNMNZKNBHKY-AWEZNQCLSA-N 2 0 341.883 2.237 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001496196842 1179091386 /nfs/dbraw/zinc/09/13/86/1179091386.db2.gz RHQVKBRBZGOZET-LBPRGKRZSA-N 2 0 326.510 2.038 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccccc2F)CC[N@@H+]1C ZINC001480976210 1179410003 /nfs/dbraw/zinc/41/00/03/1179410003.db2.gz YFJKIMFPQNRFOZ-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)Cc1ccc(C)nc1C ZINC001480980463 1179417903 /nfs/dbraw/zinc/41/79/03/1179417903.db2.gz HKBWFWFFKDZZBN-UHFFFAOYSA-N 2 0 332.492 2.121 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001481041357 1179602901 /nfs/dbraw/zinc/60/29/01/1179602901.db2.gz CXGZBFVRGDWWMW-QWHCGFSZSA-N 2 0 341.393 2.199 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]C/C(Cl)=C/Cl)CC2)C1 ZINC001267919155 1180763428 /nfs/dbraw/zinc/76/34/28/1180763428.db2.gz RCDGVAJVAYSWME-QTNMRXCUSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001267983274 1180917476 /nfs/dbraw/zinc/91/74/76/1180917476.db2.gz YWCWUBRFVKTFRX-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001481461877 1181456053 /nfs/dbraw/zinc/45/60/53/1181456053.db2.gz KHLFZVZZSXUPFR-AWEZNQCLSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001481463835 1181471222 /nfs/dbraw/zinc/47/12/22/1181471222.db2.gz HZQNIQLDAZFCDV-SFHVURJKSA-N 2 0 344.503 2.122 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001268064696 1181653237 /nfs/dbraw/zinc/65/32/37/1181653237.db2.gz UBLHXLBOFICEOP-BHYGNILZSA-N 2 0 337.533 2.457 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccccc1)[NH+](C)C ZINC001481681437 1182194773 /nfs/dbraw/zinc/19/47/73/1182194773.db2.gz JWZKQABFJQMPCN-LNLFQRSKSA-N 2 0 345.487 2.081 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732593 1182414152 /nfs/dbraw/zinc/41/41/52/1182414152.db2.gz RIXBWXGQAFQYBC-WBVHZDCISA-N 2 0 339.524 2.207 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(CO)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389341 1182442650 /nfs/dbraw/zinc/44/26/50/1182442650.db2.gz LQNVRHGJXFLWGT-MRXNPFEDSA-N 2 0 347.503 2.038 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cnc(C)o1 ZINC001481827020 1182756830 /nfs/dbraw/zinc/75/68/30/1182756830.db2.gz AUDDTCOKNKFKJG-RDJZCZTQSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCc1ccccc1 ZINC001481847927 1182792827 /nfs/dbraw/zinc/79/28/27/1182792827.db2.gz JKIQHQPMXVWDAZ-LJQANCHMSA-N 2 0 331.504 2.445 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001481986334 1183089601 /nfs/dbraw/zinc/08/96/01/1183089601.db2.gz MQYHHRJJRVXYCW-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)co1 ZINC001481988447 1183092847 /nfs/dbraw/zinc/09/28/47/1183092847.db2.gz RGMSSFDCSSCHPQ-DLBZAZTESA-N 2 0 348.491 2.043 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]C[C@@H]2CC[C@@H](C)O2)ccc2c[nH+]cn21 ZINC001268557644 1183249915 /nfs/dbraw/zinc/24/99/15/1183249915.db2.gz GAKUKAXYLKZMFB-FHPLJQIUSA-N 2 0 342.443 2.086 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]C[C@@H]2CC[C@H](C)O2)ccc2c[nH+]cn21 ZINC001268557645 1183252020 /nfs/dbraw/zinc/25/20/20/1183252020.db2.gz GAKUKAXYLKZMFB-GPAZVNKHSA-N 2 0 342.443 2.086 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001268625742 1183549324 /nfs/dbraw/zinc/54/93/24/1183549324.db2.gz SCXVXCNHEXAIRZ-OYADATRGSA-N 2 0 329.435 2.170 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001268848326 1183764059 /nfs/dbraw/zinc/76/40/59/1183764059.db2.gz XZKZDIDRDKVLEQ-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP CCc1ccccc1CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268947059 1183852173 /nfs/dbraw/zinc/85/21/73/1183852173.db2.gz ZPFWOZKGIMTNRP-IBGZPJMESA-N 2 0 331.504 2.181 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC001482236825 1184496861 /nfs/dbraw/zinc/49/68/61/1184496861.db2.gz OZYSWHVPSHJMNC-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269756005 1184588918 /nfs/dbraw/zinc/58/89/18/1184588918.db2.gz SLDRIAQLNFWIFA-IEBWSBKVSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269798304 1184626535 /nfs/dbraw/zinc/62/65/35/1184626535.db2.gz JJIGLMCOBOHDIW-ROUUACIJSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)no1 ZINC001269982269 1184760070 /nfs/dbraw/zinc/76/00/70/1184760070.db2.gz VFQCTICRBMXGFL-HOCLYGCPSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@H](C(=O)N1CCC2(CC[N@H+](CCCCOC)C2)CC1)[NH+](C)C ZINC001270329202 1185020419 /nfs/dbraw/zinc/02/04/19/1185020419.db2.gz PPQXXPUPAGRCPP-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353409 1185487493 /nfs/dbraw/zinc/48/74/93/1185487493.db2.gz IEWQHZHDZRZJRD-GFCCVEGCSA-N 2 0 341.908 2.434 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccnc1)C1CCCCC1 ZINC001482409294 1185636959 /nfs/dbraw/zinc/63/69/59/1185636959.db2.gz KYSQMPKNECMUAL-GOSISDBHSA-N 2 0 332.492 2.188 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]C/C=C\Cl)CC1 ZINC001482456749 1185878100 /nfs/dbraw/zinc/87/81/00/1185878100.db2.gz SWUZIHFRFWIOAY-WSVPDTOYSA-N 2 0 327.900 2.442 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001482457225 1185891354 /nfs/dbraw/zinc/89/13/54/1185891354.db2.gz SYDXBDNHOIZBJM-ROUUACIJSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCCCF ZINC001482501698 1186412573 /nfs/dbraw/zinc/41/25/73/1186412573.db2.gz SDJQMJNMKSWVTO-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001271740142 1186453066 /nfs/dbraw/zinc/45/30/66/1186453066.db2.gz SAGTYSSSBDEADA-WMZOPIPTSA-N 2 0 340.471 2.412 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001482553038 1186697961 /nfs/dbraw/zinc/69/79/61/1186697961.db2.gz JROFYTIRVBKDPJ-HNNXBMFYSA-N 2 0 340.537 2.351 10 0 EEAERP CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccc(Cl)cc1F ZINC001482624955 1187450361 /nfs/dbraw/zinc/45/03/61/1187450361.db2.gz CBWLJOPAHUDMFC-UHFFFAOYSA-N 2 0 329.847 2.321 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCCCF)CC1 ZINC001482685110 1187650528 /nfs/dbraw/zinc/65/05/28/1187650528.db2.gz DYAOQGOUQNUQDC-IRXDYDNUSA-N 2 0 327.488 2.343 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001482743986 1187701341 /nfs/dbraw/zinc/70/13/41/1187701341.db2.gz NMCNHGJCBWHHLP-INIZCTEOSA-N 2 0 341.540 2.142 10 0 EEAERP C[C@H](CC[NH2+]CC[C@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861302 1187774496 /nfs/dbraw/zinc/77/44/96/1187774496.db2.gz UTQLKEDONGHXJI-IAGOWNOFSA-N 2 0 339.524 2.304 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2nc(C)cs2)CC[N@@H+]1C ZINC001482925684 1187845833 /nfs/dbraw/zinc/84/58/33/1187845833.db2.gz VOTKCZJDUJZCKN-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP CCN(CC[NH2+][C@H]1CCc2c1c(F)ccc2F)C(=O)CC[NH+](C)C ZINC001482947919 1187886529 /nfs/dbraw/zinc/88/65/29/1187886529.db2.gz NWZSQYRESBGHHJ-INIZCTEOSA-N 2 0 339.430 2.342 10 0 EEAERP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCF ZINC001671029225 1193548169 /nfs/dbraw/zinc/54/81/69/1193548169.db2.gz ZWCJIGVOHJRHIS-CALCHBBNSA-N 2 0 325.472 2.287 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691556294 1188260988 /nfs/dbraw/zinc/26/09/88/1188260988.db2.gz SYLHWOQABJVSTK-AEFFLSMTSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001483082746 1188443833 /nfs/dbraw/zinc/44/38/33/1188443833.db2.gz VYVGECUJBUTDGJ-VZSQWMKGSA-N 2 0 329.488 2.353 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483096833 1188471162 /nfs/dbraw/zinc/47/11/62/1188471162.db2.gz FKHQOZSGISZZJM-FZZYSBJUSA-N 2 0 330.476 2.025 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001409271929 1188509047 /nfs/dbraw/zinc/50/90/47/1188509047.db2.gz CSNQOWFOCKCAEP-UHFFFAOYSA-N 2 0 336.480 2.123 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691626193 1188732020 /nfs/dbraw/zinc/73/20/20/1188732020.db2.gz WUARSOGEXXRWLK-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485893998 1193632541 /nfs/dbraw/zinc/63/25/41/1193632541.db2.gz MPOYMAINLIAWBF-CABCVRRESA-N 2 0 327.513 2.111 10 0 EEAERP C[C@H](NC(=O)CN(C)Cc1ccccc1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001409477489 1189812881 /nfs/dbraw/zinc/81/28/81/1189812881.db2.gz UMCRERVJZFRPKH-IRXDYDNUSA-N 2 0 347.503 2.028 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CCCF ZINC001485924739 1193641803 /nfs/dbraw/zinc/64/18/03/1193641803.db2.gz GNLSQAWPMIBSPX-JQHSSLGASA-N 2 0 335.467 2.128 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001485962153 1193660126 /nfs/dbraw/zinc/66/01/26/1193660126.db2.gz VQMJWXQRUXIBNJ-HOCLYGCPSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1cnc(C)s1 ZINC001409674981 1190173917 /nfs/dbraw/zinc/17/39/17/1190173917.db2.gz AJRRYSFPAJCRPW-BBRMVZONSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cscn1 ZINC001409761655 1190251293 /nfs/dbraw/zinc/25/12/93/1190251293.db2.gz JUWWKDKMLHGWGC-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccn1 ZINC001409768042 1190262029 /nfs/dbraw/zinc/26/20/29/1190262029.db2.gz PECMNZHLARZDKV-SFHVURJKSA-N 2 0 344.503 2.140 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483266954 1190291899 /nfs/dbraw/zinc/29/18/99/1190291899.db2.gz XTYRFCJAGSUEIO-JKSUJKDBSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001483272119 1190296384 /nfs/dbraw/zinc/29/63/84/1190296384.db2.gz KROHIGFAWAQGEU-FUHWJXTLSA-N 2 0 332.492 2.247 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001483356748 1190395694 /nfs/dbraw/zinc/39/56/94/1190395694.db2.gz MWPVRAJRBWVHLJ-INIZCTEOSA-N 2 0 344.503 2.263 10 0 EEAERP CC[C@H](C[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)OC ZINC001483492541 1190510071 /nfs/dbraw/zinc/51/00/71/1190510071.db2.gz FNZLYEHUCULYNO-CRAIPNDOSA-N 2 0 345.503 2.062 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621353 1190604823 /nfs/dbraw/zinc/60/48/23/1190604823.db2.gz GXLNGCBDWCBONV-WBVHZDCISA-N 2 0 336.480 2.040 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409819971 1190651856 /nfs/dbraw/zinc/65/18/56/1190651856.db2.gz AXBIIZDNURQAQN-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001486147589 1193698123 /nfs/dbraw/zinc/69/81/23/1193698123.db2.gz KFDYRVBMXWQBLT-IEBWSBKVSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CC1CCC(F)(F)CC1 ZINC001483701707 1190776388 /nfs/dbraw/zinc/77/63/88/1190776388.db2.gz IRAJBIXWBZMGFL-OAHLLOKOSA-N 2 0 329.435 2.098 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272615497 1190931424 /nfs/dbraw/zinc/93/14/24/1190931424.db2.gz CPVCRZRUYQWKTC-CVEARBPZSA-N 2 0 335.517 2.418 10 0 EEAERP CC(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484196016 1191268075 /nfs/dbraw/zinc/26/80/75/1191268075.db2.gz OZGLXXVPJGJXJF-HUUCEWRRSA-N 2 0 331.451 2.058 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001484527460 1191395964 /nfs/dbraw/zinc/39/59/64/1191395964.db2.gz UEEOSUYBLVMTSZ-IEBWSBKVSA-N 2 0 344.503 2.203 10 0 EEAERP CCC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484809185 1191532066 /nfs/dbraw/zinc/53/20/66/1191532066.db2.gz CGIKQYSHIIWVCX-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCC1CC1 ZINC001484825960 1191544100 /nfs/dbraw/zinc/54/41/00/1191544100.db2.gz YWGDTBIOMMBXJQ-IBGZPJMESA-N 2 0 329.488 2.281 10 0 EEAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1)OC ZINC001484923152 1191576421 /nfs/dbraw/zinc/57/64/21/1191576421.db2.gz GBEUJGAKZPBHLD-INIZCTEOSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@@H]1CCCCO1 ZINC001485077048 1191645076 /nfs/dbraw/zinc/64/50/76/1191645076.db2.gz XRFDYKGQMJUOOE-IRXDYDNUSA-N 2 0 348.491 2.143 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001485186892 1191684817 /nfs/dbraw/zinc/68/48/17/1191684817.db2.gz IEOCHPQCSYVGAB-QWHCGFSZSA-N 2 0 338.883 2.060 10 0 EEAERP CCc1ccc(CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001485224373 1191696578 /nfs/dbraw/zinc/69/65/78/1191696578.db2.gz FBWJWFPMOIOFPR-SJORKVTESA-N 2 0 331.504 2.370 10 0 EEAERP Cc1cncc(C[NH+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001485312357 1191729808 /nfs/dbraw/zinc/72/98/08/1191729808.db2.gz GZNYUOBBUXLKGW-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCCC2)C1 ZINC001485456290 1191791925 /nfs/dbraw/zinc/79/19/25/1191791925.db2.gz OSLXOJWIQGCFAN-FUVBFXSKSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1ncccc1C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001485482901 1191799650 /nfs/dbraw/zinc/79/96/50/1191799650.db2.gz SSASJOVSVAWNRP-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001486189391 1193731192 /nfs/dbraw/zinc/73/11/92/1193731192.db2.gz UPIXEPKROFAANC-YTQUADARSA-N 2 0 331.504 2.444 10 0 EEAERP CO[C@H](C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001486471312 1193991024 /nfs/dbraw/zinc/99/10/24/1193991024.db2.gz RLJLQUUSUOQWKQ-HPUBIQBYSA-N 2 0 339.524 2.253 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](Cc3ccsc3)CC2)C1 ZINC001486515266 1194034906 /nfs/dbraw/zinc/03/49/06/1194034906.db2.gz FSLMHWJQFWGKQP-OAHLLOKOSA-N 2 0 333.501 2.338 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001273203172 1197508259 /nfs/dbraw/zinc/50/82/59/1197508259.db2.gz HQFJWXCKHHBLES-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001273203174 1197508513 /nfs/dbraw/zinc/50/85/13/1197508513.db2.gz HQFJWXCKHHBLES-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nocc1C[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001410256883 1197640637 /nfs/dbraw/zinc/64/06/37/1197640637.db2.gz QEZSQVKOZIOEIJ-QGZVFWFLSA-N 2 0 348.491 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001410433195 1197878593 /nfs/dbraw/zinc/87/85/93/1197878593.db2.gz YPFJJTRIKYUXQX-QZTJIDSGSA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298685 1197987227 /nfs/dbraw/zinc/98/72/27/1197987227.db2.gz UXXWFAYDXHKPHE-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP CCN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298683 1197987432 /nfs/dbraw/zinc/98/74/32/1197987432.db2.gz UXXWFAYDXHKPHE-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000872044842 1198034359 /nfs/dbraw/zinc/03/43/59/1198034359.db2.gz GCVLQSSWILEFII-RTBURBONSA-N 2 0 347.503 2.273 10 0 EEAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000872152098 1198059405 /nfs/dbraw/zinc/05/94/05/1198059405.db2.gz MDQGBFVVLWVWMV-XKGZKEIXSA-N 2 0 327.472 2.112 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)C[N@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000872155612 1198061224 /nfs/dbraw/zinc/06/12/24/1198061224.db2.gz WNSOKWVWHNXQCZ-UHFFFAOYSA-N 2 0 334.464 2.402 10 0 EEAERP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000872157249 1198062670 /nfs/dbraw/zinc/06/26/70/1198062670.db2.gz NWAHXGCYKZSGJU-DOTOQJQBSA-N 2 0 342.549 2.431 10 0 EEAERP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000872157250 1198063255 /nfs/dbraw/zinc/06/32/55/1198063255.db2.gz NWAHXGCYKZSGJU-NVXWUHKLSA-N 2 0 342.549 2.431 10 0 EEAERP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000872228242 1198099112 /nfs/dbraw/zinc/09/91/12/1198099112.db2.gz GKLLFAMGGOSTHM-QPIRBTGLSA-N 2 0 348.487 2.481 10 0 EEAERP CC(=O)NCC1CCC([NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000865437131 1198217588 /nfs/dbraw/zinc/21/75/88/1198217588.db2.gz ARCKPZTZQHZSKV-UHFFFAOYSA-N 2 0 347.503 2.412 10 0 EEAERP Fc1cc(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)ccn1 ZINC000865720553 1198345754 /nfs/dbraw/zinc/34/57/54/1198345754.db2.gz BXPWFJUHCPVRJE-UHFFFAOYSA-N 2 0 345.418 2.222 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001273373776 1198386590 /nfs/dbraw/zinc/38/65/90/1198386590.db2.gz DNKPILOBYNGQFN-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001410858130 1198509172 /nfs/dbraw/zinc/50/91/72/1198509172.db2.gz RNSCBDAPEVFXIB-WFASDCNBSA-N 2 0 338.521 2.179 10 0 EEAERP c1ncn(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccn2)n1 ZINC000873236440 1198538180 /nfs/dbraw/zinc/53/81/80/1198538180.db2.gz BCQUBDWJQVULRB-BRWVUGGUSA-N 2 0 326.448 2.063 10 0 EEAERP CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021176 1200411984 /nfs/dbraw/zinc/41/19/84/1200411984.db2.gz BXPCOWBUSFWXBL-VAMGGRTRSA-N 2 0 345.531 2.453 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3ncccc32)C[C@H]1C[NH+](C)C ZINC000870023768 1200412721 /nfs/dbraw/zinc/41/27/21/1200412721.db2.gz LZBNCSQTKRWJSX-HZPDHXFCSA-N 2 0 340.471 2.046 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870908376 1200945548 /nfs/dbraw/zinc/94/55/48/1200945548.db2.gz IECWLYGSVJNIRM-UHFFFAOYSA-N 2 0 333.451 2.248 10 0 EEAERP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CCC1(C)C ZINC000871153733 1201073828 /nfs/dbraw/zinc/07/38/28/1201073828.db2.gz TVCUPOCGVBHRLA-SFHVURJKSA-N 2 0 344.503 2.236 10 0 EEAERP c1ccc(C[N@@H+]2CC[C@H](N3CCC[C@H]([NH2+]C4CCOCC4)C3)C2)cc1 ZINC000880205711 1201421533 /nfs/dbraw/zinc/42/15/33/1201421533.db2.gz UJPRTJMOYREGGR-SFTDATJTSA-N 2 0 343.515 2.494 10 0 EEAERP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411562 1201510294 /nfs/dbraw/zinc/51/02/94/1201510294.db2.gz PTVMYALNSRYQQB-RDJZCZTQSA-N 2 0 347.503 2.401 10 0 EEAERP COC(=O)/C=C/c1ccc(OCCN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000866668779 1201575130 /nfs/dbraw/zinc/57/51/30/1201575130.db2.gz VLSWFGFTZRMEMS-FMNOIEFDSA-N 2 0 344.455 2.183 10 0 EEAERP C[NH2+]Cc1cccc(NC(=O)N(CCOC)CC2CC[NH+](C)CC2)c1 ZINC000868168168 1201756963 /nfs/dbraw/zinc/75/69/63/1201756963.db2.gz SFJBWKBBMIDNFD-UHFFFAOYSA-N 2 0 348.491 2.228 10 0 EEAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000868180210 1201758624 /nfs/dbraw/zinc/75/86/24/1201758624.db2.gz MMQLARUXJUDYTG-ZWKOTPCHSA-N 2 0 328.460 2.497 10 0 EEAERP CC[NH+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000882949661 1201982360 /nfs/dbraw/zinc/98/23/60/1201982360.db2.gz BOGBOLWSOUUDBY-UHFFFAOYSA-N 2 0 344.503 2.249 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001671091869 1202395354 /nfs/dbraw/zinc/39/53/54/1202395354.db2.gz XLMUCTZPZPYMKS-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001274263023 1204980271 /nfs/dbraw/zinc/98/02/71/1204980271.db2.gz LVZNZISOTDHWMM-QFTYUIFUSA-N 2 0 337.414 2.382 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001274498156 1205057751 /nfs/dbraw/zinc/05/77/51/1205057751.db2.gz GDPVGCRSMKEDAX-UBZMYNMCSA-N 2 0 344.503 2.272 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001274498155 1205057865 /nfs/dbraw/zinc/05/78/65/1205057865.db2.gz GDPVGCRSMKEDAX-KKSLTYSGSA-N 2 0 344.503 2.272 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001274498857 1205058422 /nfs/dbraw/zinc/05/84/22/1205058422.db2.gz RDMWVHGFZNSOCC-RXYHWBRQSA-N 2 0 335.879 2.444 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCCO1 ZINC001274610219 1205097298 /nfs/dbraw/zinc/09/72/98/1205097298.db2.gz MXGJWAYZGUDMGM-HQYUYXFKSA-N 2 0 337.508 2.082 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCc2cccs2)C1 ZINC001275054155 1205245798 /nfs/dbraw/zinc/24/57/98/1205245798.db2.gz FEWADVYGGIGFNJ-HOTGVXAUSA-N 2 0 335.517 2.213 10 0 EEAERP CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)C2)(c2ccccc2)CC1 ZINC001411779345 1205520217 /nfs/dbraw/zinc/52/02/17/1205520217.db2.gz LYMNWIRCZGBDNC-SFHVURJKSA-N 2 0 343.515 2.498 10 0 EEAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC001412478709 1205734588 /nfs/dbraw/zinc/73/45/88/1205734588.db2.gz CJMBEUNMTYYLRI-LJQANCHMSA-N 2 0 329.488 2.451 10 0 EEAERP Cc1ccccc1C[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925316354 1206095766 /nfs/dbraw/zinc/09/57/66/1206095766.db2.gz ZAWFUXIAFRHEMN-HKUYNNGSSA-N 2 0 344.503 2.305 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925321574 1206096424 /nfs/dbraw/zinc/09/64/24/1206096424.db2.gz NDTBZPKOUZJSEZ-QAPCUYQASA-N 2 0 332.492 2.372 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343655 1206100300 /nfs/dbraw/zinc/10/03/00/1206100300.db2.gz WPLKNFJUXIIWEQ-AOIWGVFYSA-N 2 0 344.503 2.243 10 0 EEAERP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)nc2)C1 ZINC000925634650 1206137980 /nfs/dbraw/zinc/13/79/80/1206137980.db2.gz PEVAZFRGMPYALJ-NBMJBFSESA-N 2 0 343.519 2.410 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925725954 1206146923 /nfs/dbraw/zinc/14/69/23/1206146923.db2.gz FHUJYBYBOZABFY-SQNIBIBYSA-N 2 0 342.487 2.078 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)CO2)CC[NH2+]CC1 ZINC000925734038 1206147747 /nfs/dbraw/zinc/14/77/47/1206147747.db2.gz ZMURFZIWKVENLT-HUUCEWRRSA-N 2 0 326.481 2.103 10 0 EEAERP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925803466 1206155449 /nfs/dbraw/zinc/15/54/49/1206155449.db2.gz OXUUVHFMSNATKY-SZVBFZGTSA-N 2 0 343.475 2.253 10 0 EEAERP COC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000925846858 1206159734 /nfs/dbraw/zinc/15/97/34/1206159734.db2.gz YCHQUVHVUPSMEU-GOSISDBHSA-N 2 0 341.446 2.317 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)c(F)c(F)c1 ZINC000925857437 1206161978 /nfs/dbraw/zinc/16/19/78/1206161978.db2.gz VHAPJVTXPVOHLJ-ZYHUDNBSSA-N 2 0 342.361 2.440 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925859995 1206162527 /nfs/dbraw/zinc/16/25/27/1206162527.db2.gz YJABAXXLKXCTJK-HOCLYGCPSA-N 2 0 348.418 2.314 10 0 EEAERP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925859617 1206162542 /nfs/dbraw/zinc/16/25/42/1206162542.db2.gz XEHDNKYENNEISY-OWCLPIDISA-N 2 0 338.492 2.101 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000928833032 1206425781 /nfs/dbraw/zinc/42/57/81/1206425781.db2.gz XGHATWIEKRWHRN-ZWKOTPCHSA-N 2 0 330.476 2.208 10 0 EEAERP Cc1cc(NC(=O)NCC[N@H+]2CCC[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000930284689 1206546550 /nfs/dbraw/zinc/54/65/50/1206546550.db2.gz ZWNWPDFVGGPISB-OAHLLOKOSA-N 2 0 348.495 2.064 10 0 EEAERP CN(C)C(=O)CC[NH+]1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215513 1206616507 /nfs/dbraw/zinc/61/65/07/1206616507.db2.gz ZKRANEJNLBRMIY-WOJBJXKFSA-N 2 0 329.488 2.309 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCOC(C)C)C2)C1 ZINC001490837503 1208162019 /nfs/dbraw/zinc/16/20/19/1208162019.db2.gz GEJGCBUULLYQGB-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001490842421 1208464697 /nfs/dbraw/zinc/46/46/97/1208464697.db2.gz MZKZAIRUUHHRQU-IBGZPJMESA-N 2 0 347.503 2.020 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001691735933 1210558465 /nfs/dbraw/zinc/55/84/65/1210558465.db2.gz CORIHUAKGDHICQ-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900248734 1234121405 /nfs/dbraw/zinc/12/14/05/1234121405.db2.gz QBSRNAWTCISODY-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CCNc1ccc(C)cc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001413265563 1235098842 /nfs/dbraw/zinc/09/88/42/1235098842.db2.gz CEVQZRISTDVBDC-INIZCTEOSA-N 2 0 334.508 2.429 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901128481 1235257622 /nfs/dbraw/zinc/25/76/22/1235257622.db2.gz XQGUOCCYWGKDIZ-HKUYNNGSSA-N 2 0 345.487 2.299 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902745452 1238381388 /nfs/dbraw/zinc/38/13/88/1238381388.db2.gz OJMXALAETQPMAV-HKUYNNGSSA-N 2 0 331.504 2.243 10 0 EEAERP Cc1cc2c(ncnc2N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)s1 ZINC000903456681 1240522928 /nfs/dbraw/zinc/52/29/28/1240522928.db2.gz IWUGCEDTGPAYHE-KGLIPLIRSA-N 2 0 331.489 2.249 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903491086 1240648527 /nfs/dbraw/zinc/64/85/27/1240648527.db2.gz UVUGAYYVFQWIFC-KKUMJFAQSA-N 2 0 346.368 2.284 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000903493373 1240660348 /nfs/dbraw/zinc/66/03/48/1240660348.db2.gz RBDXPTRTYIWXMN-OZVIIMIRSA-N 2 0 326.799 2.191 10 0 EEAERP O[C@H](C[C@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000903899987 1242398196 /nfs/dbraw/zinc/39/81/96/1242398196.db2.gz XQRPWUYSQVAQGN-LDBYLJPUSA-N 2 0 336.501 2.403 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2ccc(F)cc2Cl)cnn1C ZINC000903920063 1242497533 /nfs/dbraw/zinc/49/75/33/1242497533.db2.gz GYASEJDZRLJXOH-CYBMUJFWSA-N 2 0 338.858 2.471 10 0 EEAERP COc1ccc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1OC ZINC000903926832 1242526819 /nfs/dbraw/zinc/52/68/19/1242526819.db2.gz UPJFQRYVGYPIIN-VHRNVKJDSA-N 2 0 334.460 2.375 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCOCC1CCC1 ZINC001490978177 1258527507 /nfs/dbraw/zinc/52/75/07/1258527507.db2.gz XOKXRUPUBFICCF-XVLXNVKGSA-N 2 0 349.519 2.009 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@H]21 ZINC001490985040 1258542404 /nfs/dbraw/zinc/54/24/04/1258542404.db2.gz WBTJWBJIHIONDQ-BJYXUANLSA-N 2 0 327.900 2.394 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001491083888 1258650060 /nfs/dbraw/zinc/65/00/60/1258650060.db2.gz XWTYMGCWIIGXIJ-ZIFCJYIRSA-N 2 0 345.487 2.177 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]CC[C@@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC001491156241 1258733225 /nfs/dbraw/zinc/73/32/25/1258733225.db2.gz JRVIGZNUGKRXKG-MSOLQXFVSA-N 2 0 349.519 2.012 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491456963 1259100981 /nfs/dbraw/zinc/10/09/81/1259100981.db2.gz LSGHQZDVTFMTKJ-UZLBHIALSA-N 2 0 343.515 2.228 10 0 EEAERP CCc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001491456453 1259101308 /nfs/dbraw/zinc/10/13/08/1259101308.db2.gz XUEBKQQHPPKREM-CXAGYDPISA-N 2 0 336.480 2.013 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001491477230 1259127792 /nfs/dbraw/zinc/12/77/92/1259127792.db2.gz HCNKXHIZHTTWMQ-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001273448454 1278420352 /nfs/dbraw/zinc/42/03/52/1278420352.db2.gz ADQKISIJMRGGML-UHFFFAOYSA-N 2 0 341.540 2.219 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001273644641 1282111699 /nfs/dbraw/zinc/11/16/99/1282111699.db2.gz AROBDFXMSZLHLS-MRXNPFEDSA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001273910342 1289776119 /nfs/dbraw/zinc/77/61/19/1289776119.db2.gz PGIWGBKEZGMVLL-PHWHVTFISA-N 2 0 345.487 2.330 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001489001976 1290325606 /nfs/dbraw/zinc/32/56/06/1290325606.db2.gz ZRLYMSRLQYPOCM-WBVHZDCISA-N 2 0 348.491 2.186 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001490422769 1291334661 /nfs/dbraw/zinc/33/46/61/1291334661.db2.gz SLPVHUOPWOUMQC-FUHWJXTLSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)[C@@H](C)C2)cc1C ZINC000852745900 1292183829 /nfs/dbraw/zinc/18/38/29/1292183829.db2.gz ACKQBOCKBBJACR-HKUYNNGSSA-N 2 0 329.488 2.335 10 0 EEAERP C[NH+](C)CCn1ccc2ccc(NC(=O)C=C3CC[NH2+]CC3)cc21 ZINC000852870049 1292221924 /nfs/dbraw/zinc/22/19/24/1292221924.db2.gz IYUCUFXYYCCTSI-UHFFFAOYSA-N 2 0 326.444 2.451 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCCC(F)(F)F ZINC001319269476 1332673378 /nfs/dbraw/zinc/67/33/78/1332673378.db2.gz IKJZTZYHTJMABB-ZDUSSCGKSA-N 2 0 335.414 2.157 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCCOC)C2 ZINC001277473557 1303560395 /nfs/dbraw/zinc/56/03/95/1303560395.db2.gz GFHGUGSLTCIDCK-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)(C)OC(=O)NCCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000698559368 1304443633 /nfs/dbraw/zinc/44/36/33/1304443633.db2.gz NSFGYIHBXIUNAB-HOTGVXAUSA-N 2 0 341.496 2.134 10 0 EEAERP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841021045 1315456949 /nfs/dbraw/zinc/45/69/49/1315456949.db2.gz YNAUNDAWKLBYFM-DAYGRLMNSA-N 2 0 331.460 2.486 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841898570 1315632322 /nfs/dbraw/zinc/63/23/22/1315632322.db2.gz NWHZCNCRZIUTLL-YVWKXTFCSA-N 2 0 344.503 2.196 10 0 EEAERP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000842472324 1315711749 /nfs/dbraw/zinc/71/17/49/1315711749.db2.gz WKDHRAHTAGSVFT-YJBOKZPZSA-N 2 0 331.460 2.488 10 0 EEAERP Cc1ncc2n1C[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC3CC3)C1)CC2 ZINC001278541874 1317187535 /nfs/dbraw/zinc/18/75/35/1317187535.db2.gz CNOUNUSMXRKWGC-PXNSSMCTSA-N 2 0 344.503 2.382 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)co1 ZINC001276405830 1319439440 /nfs/dbraw/zinc/43/94/40/1319439440.db2.gz RZWFQCWOUCWYAT-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)C12CCC[NH+]1CCC2 ZINC001263801678 1322515701 /nfs/dbraw/zinc/51/57/01/1322515701.db2.gz AVIKQRVBKIHIKQ-MRXNPFEDSA-N 2 0 325.472 2.287 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001264039527 1322596792 /nfs/dbraw/zinc/59/67/92/1322596792.db2.gz WNJUYEDNRYGQSU-KBPBESRZSA-N 2 0 337.430 2.355 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001264416890 1322695670 /nfs/dbraw/zinc/69/56/70/1322695670.db2.gz IGVUMZKQHZNMFA-ZHALLVOQSA-N 2 0 345.487 2.034 10 0 EEAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001264518746 1322722873 /nfs/dbraw/zinc/72/28/73/1322722873.db2.gz WKVCQVWLWPKXFZ-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(F)ccc1C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264988125 1322836254 /nfs/dbraw/zinc/83/62/54/1322836254.db2.gz ZMPHTWRUWDROHS-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1nsc(C)c1C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001264997527 1322845289 /nfs/dbraw/zinc/84/52/89/1322845289.db2.gz JAHALJTZODXBAP-INIZCTEOSA-N 2 0 340.537 2.284 10 0 EEAERP CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1c(F)cccc1F ZINC001265058255 1322898561 /nfs/dbraw/zinc/89/85/61/1322898561.db2.gz NMQCJEMPZFSQSN-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@@H+](C/C=C/Cl)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265119853 1322930492 /nfs/dbraw/zinc/93/04/92/1322930492.db2.gz SHEVRQAHPZZIRG-WEVVVXLNSA-N 2 0 327.900 2.443 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001265499129 1323184619 /nfs/dbraw/zinc/18/46/19/1323184619.db2.gz VXJUKTNHRUHQGX-XLAORIBOSA-N 2 0 337.508 2.057 10 0 EEAERP COCCCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001265739533 1323358520 /nfs/dbraw/zinc/35/85/20/1323358520.db2.gz PPUNZLJOMIVKLL-VYMRPNJYSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cnc2cc(C(=O)NCCCN(C)Cc3ccns3)ccn12 ZINC001265845167 1323418794 /nfs/dbraw/zinc/41/87/94/1323418794.db2.gz FISYWDOSPRILFB-UHFFFAOYSA-N 2 0 343.456 2.351 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccc(Cl)cc1 ZINC001265851399 1323426054 /nfs/dbraw/zinc/42/60/54/1323426054.db2.gz NWQYTPURPZYKJW-OAHLLOKOSA-N 2 0 349.906 2.463 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265902330 1323471520 /nfs/dbraw/zinc/47/15/20/1323471520.db2.gz MMAKJMKNFCLIKG-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001265954201 1323517168 /nfs/dbraw/zinc/51/71/68/1323517168.db2.gz MNKIPNFWDZFTFK-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cc(C)no1 ZINC001266092242 1323652063 /nfs/dbraw/zinc/65/20/63/1323652063.db2.gz NKHALIPNXZUEQS-FUHWJXTLSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ncc(C[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)C2CC2)s1 ZINC001266152713 1323722612 /nfs/dbraw/zinc/72/26/12/1323722612.db2.gz XTRXPUDCAPYTCY-MRXNPFEDSA-N 2 0 336.505 2.016 10 0 EEAERP C[C@@H](C(=O)N(CCO)CC[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001279848911 1324013092 /nfs/dbraw/zinc/01/30/92/1324013092.db2.gz VTKLJYRXZWWVLL-KRWDZBQOSA-N 2 0 341.540 2.098 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001279999006 1324054689 /nfs/dbraw/zinc/05/46/89/1324054689.db2.gz DJXDVJBTPNZBNE-HZPDHXFCSA-N 2 0 348.491 2.220 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001280220175 1324120018 /nfs/dbraw/zinc/12/00/18/1324120018.db2.gz VVWVPZBKUFXHFU-AKDFZNLCSA-N 2 0 327.900 2.299 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2csc(C)n2)C1 ZINC001280251412 1324129172 /nfs/dbraw/zinc/12/91/72/1324129172.db2.gz LAPDXIIPPFLDGG-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC001276552487 1324275430 /nfs/dbraw/zinc/27/54/30/1324275430.db2.gz JJWOWSKQACPPGR-CIJAKILZSA-N 2 0 327.472 2.278 10 0 EEAERP COc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283714551 1326215654 /nfs/dbraw/zinc/21/56/54/1326215654.db2.gz NXMOLILGNXQIDV-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP COc1cccc(CCC[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001284003312 1326358055 /nfs/dbraw/zinc/35/80/55/1326358055.db2.gz JXGZHSMVDLRIAC-AEFFLSMTSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001284520229 1326596040 /nfs/dbraw/zinc/59/60/40/1326596040.db2.gz PUUZHSNMHREWOX-IBGZPJMESA-N 2 0 347.503 2.079 10 0 EEAERP CC(C)=CC[N@@H+](C)CCN(C(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001284553520 1326608219 /nfs/dbraw/zinc/60/82/19/1326608219.db2.gz OENZVGNGYDERFQ-UHFFFAOYSA-N 2 0 339.524 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCOC2CCC2)C1 ZINC001284770382 1326705039 /nfs/dbraw/zinc/70/50/39/1326705039.db2.gz BXZLVTGSDYMBAX-LEOMRAHMSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1oncc1CN1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001284995435 1326818007 /nfs/dbraw/zinc/81/80/07/1326818007.db2.gz POFOFLMJUBVWCZ-HUUCEWRRSA-N 2 0 346.475 2.104 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(C)nc1 ZINC001584323970 1348729899 /nfs/dbraw/zinc/72/98/99/1348729899.db2.gz DUJMABGPXWOEPO-GNISGLHKSA-N 2 0 344.503 2.278 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001491726178 1330231935 /nfs/dbraw/zinc/23/19/35/1330231935.db2.gz LHOKIPWDFJUTCA-PMACEKPBSA-N 2 0 341.499 2.152 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CCOC2CCC2)C1)C1CCC1 ZINC001491874258 1330283677 /nfs/dbraw/zinc/28/36/77/1330283677.db2.gz MQQHWYHHXQWPKB-HOTGVXAUSA-N 2 0 337.508 2.057 10 0 EEAERP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491896138 1330294214 /nfs/dbraw/zinc/29/42/14/1330294214.db2.gz KJIRBPGVWHJFAB-OALUTQOASA-N 2 0 347.503 2.415 10 0 EEAERP C[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492258157 1331119222 /nfs/dbraw/zinc/11/92/22/1331119222.db2.gz ZJEYNDZPRLKCLZ-FMSOUQGNSA-N 2 0 341.499 2.480 10 0 EEAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC001492402897 1331219709 /nfs/dbraw/zinc/21/97/09/1331219709.db2.gz WTJJICDBZHCSKB-UHFFFAOYSA-N 2 0 331.382 2.205 10 0 EEAERP C[C@H]([NH2+]CCOc1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882115 1331949005 /nfs/dbraw/zinc/94/90/05/1331949005.db2.gz XLYPPYRPLXIFKA-PKOBYXMFSA-N 2 0 347.503 2.376 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC[C@H](C)F ZINC001316896569 1331963158 /nfs/dbraw/zinc/96/31/58/1331963158.db2.gz VVXIDNZRUVJGNH-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1ocnc1C ZINC001316903282 1331969559 /nfs/dbraw/zinc/96/95/59/1331969559.db2.gz IDQCCOSIAWAYNC-IAGOWNOFSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCOC(C)C)C1 ZINC001317058992 1332064639 /nfs/dbraw/zinc/06/46/39/1332064639.db2.gz MIMDQSHHZOSPPN-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2cncs2)CC1 ZINC001317220925 1332141983 /nfs/dbraw/zinc/14/19/83/1332141983.db2.gz OORCTHNFYIIMKS-UHFFFAOYSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCOc1ccccc1 ZINC001317412957 1332218636 /nfs/dbraw/zinc/21/86/36/1332218636.db2.gz ROWFHOOFSTTYGY-PXNSSMCTSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317422820 1332226547 /nfs/dbraw/zinc/22/65/47/1332226547.db2.gz JGRWKZFKTITIIG-IXDOHACOSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001319559317 1332721068 /nfs/dbraw/zinc/72/10/68/1332721068.db2.gz DMXVNQGLAMVBCJ-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319561600 1332721912 /nfs/dbraw/zinc/72/19/12/1332721912.db2.gz XXVSJPKLPLLOKB-OLZOCXBDSA-N 2 0 348.318 2.103 10 0 EEAERP Cc1c(C(=O)NC[C@@H]([NH2+]CCC[C@H](C)O)C(C)C)ccc2c[nH+]cn21 ZINC001319922997 1332798265 /nfs/dbraw/zinc/79/82/65/1332798265.db2.gz VITOTCPCUPSDAK-KBXCAEBGSA-N 2 0 346.475 2.148 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001320448611 1332886156 /nfs/dbraw/zinc/88/61/56/1332886156.db2.gz WMOZKYQDLSTLPR-KBXCAEBGSA-N 2 0 348.491 2.374 10 0 EEAERP CCN(CC[NH2+]CC1CCOCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320862313 1332966817 /nfs/dbraw/zinc/96/68/17/1332966817.db2.gz IWNJSOXTLQPASN-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)C[NH+]1CCCC1 ZINC001320920583 1332979264 /nfs/dbraw/zinc/97/92/64/1332979264.db2.gz KNIDDFOQQFAICZ-HNNXBMFYSA-N 2 0 331.451 2.346 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001321065140 1333009413 /nfs/dbraw/zinc/00/94/13/1333009413.db2.gz QUMRAXCSDAVEJJ-TYZMBSPUSA-N 2 0 327.472 2.276 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001321230451 1333050031 /nfs/dbraw/zinc/05/00/31/1333050031.db2.gz CMBZQNGKOSVHDP-JZIMQPMSSA-N 2 0 333.451 2.491 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001321248618 1333054567 /nfs/dbraw/zinc/05/45/67/1333054567.db2.gz CFQUYIGMRLFKKA-LAQIPUCWSA-N 2 0 329.488 2.353 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001321600094 1333130941 /nfs/dbraw/zinc/13/09/41/1333130941.db2.gz PSIVXHKJQXUIPV-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC001321755196 1333153246 /nfs/dbraw/zinc/15/32/46/1333153246.db2.gz AELNZYXYJYSABO-IEBWSBKVSA-N 2 0 331.504 2.444 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001322335943 1333249273 /nfs/dbraw/zinc/24/92/73/1333249273.db2.gz HGVQRNVGGLQBBB-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001322590611 1333289077 /nfs/dbraw/zinc/28/90/77/1333289077.db2.gz GEHSENBCNUGQPA-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCc2ccccc2F)C1 ZINC001322694303 1333308662 /nfs/dbraw/zinc/30/86/62/1333308662.db2.gz PABPMFYIBSTTCK-INIZCTEOSA-N 2 0 335.467 2.148 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322793018 1333327573 /nfs/dbraw/zinc/32/75/73/1333327573.db2.gz PMRBHZCFEZEPDJ-MRXNPFEDSA-N 2 0 335.467 2.148 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001322852372 1333341008 /nfs/dbraw/zinc/34/10/08/1333341008.db2.gz NEIWDPGDWWJEOW-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001322852578 1333341824 /nfs/dbraw/zinc/34/18/24/1333341824.db2.gz RODIMPXFSIEYPQ-QGZVFWFLSA-N 2 0 336.480 2.123 10 0 EEAERP CCCCC[NH+]1CCC(C)(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001324336142 1333660305 /nfs/dbraw/zinc/66/03/05/1333660305.db2.gz VKWZERWISJDUQR-UHFFFAOYSA-N 2 0 349.523 2.219 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001324975554 1333800468 /nfs/dbraw/zinc/80/04/68/1333800468.db2.gz GZAASJUKCZKSEU-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001329256944 1334616055 /nfs/dbraw/zinc/61/60/55/1334616055.db2.gz QUKAAOHSARMVLL-WWDZGPRUSA-N 2 0 339.524 2.112 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001331267269 1334987350 /nfs/dbraw/zinc/98/73/50/1334987350.db2.gz DYAAYSGDRXKLAU-MOPGFXCFSA-N 2 0 329.488 2.150 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2ccccn2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331943312 1335683643 /nfs/dbraw/zinc/68/36/43/1335683643.db2.gz HXNATRGANGQTNY-MJGOQNOKSA-N 2 0 344.503 2.427 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001332025395 1335708760 /nfs/dbraw/zinc/70/87/60/1335708760.db2.gz IQMBBNDZVUFRDC-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001332339852 1335806136 /nfs/dbraw/zinc/80/61/36/1335806136.db2.gz ISQVRRBLJYOIMN-FMQFUMSTSA-N 2 0 327.900 2.489 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001332805566 1335910598 /nfs/dbraw/zinc/91/05/98/1335910598.db2.gz HZDVVTSTZHIILI-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP COCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001333394853 1336032241 /nfs/dbraw/zinc/03/22/41/1336032241.db2.gz JVECRNDMGDXQSP-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC[C@H]1CCCCO1 ZINC001479816676 1337399734 /nfs/dbraw/zinc/39/97/34/1337399734.db2.gz WVZLBZNPHXKVJW-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP COC(=O)CCCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001617860114 1352345587 /nfs/dbraw/zinc/34/55/87/1352345587.db2.gz LFIOKHQMNADGKZ-UHFFFAOYSA-N 2 0 347.503 2.079 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668652587 1355979961 /nfs/dbraw/zinc/97/99/61/1355979961.db2.gz QZVMQADQRUFAJZ-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@@H]2CN(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001436333368 1342037280 /nfs/dbraw/zinc/03/72/80/1342037280.db2.gz MIAAEHXUOHEMRZ-LJQANCHMSA-N 2 0 331.504 2.410 10 0 EEAERP Cc1c(C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@H](C)F)C2)ccc2c[nH+]cn21 ZINC001436350102 1342045587 /nfs/dbraw/zinc/04/55/87/1342045587.db2.gz KURBIAKWAXUJBQ-AEGPPILISA-N 2 0 332.423 2.489 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nsc3ccccc23)C1 ZINC001436352350 1342046601 /nfs/dbraw/zinc/04/66/01/1342046601.db2.gz FOAOACJPGNIAKF-OKILXGFUSA-N 2 0 346.500 2.232 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001673989097 1356767996 /nfs/dbraw/zinc/76/79/96/1356767996.db2.gz OIUZHZNORHOSHV-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC001567611755 1342794246 /nfs/dbraw/zinc/79/42/46/1342794246.db2.gz TWSSVYNENGANNC-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568783130 1342854580 /nfs/dbraw/zinc/85/45/80/1342854580.db2.gz NRQZCJGOYKBWSR-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569810625 1342949540 /nfs/dbraw/zinc/94/95/40/1342949540.db2.gz ITDZTHOGFPVWES-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001569818693 1342951266 /nfs/dbraw/zinc/95/12/66/1342951266.db2.gz FSJXLVLRZMMOHW-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCCCCF ZINC001569846710 1342957561 /nfs/dbraw/zinc/95/75/61/1342957561.db2.gz DMBXYWRBUFHXFL-WBVHZDCISA-N 2 0 327.488 2.152 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3cc(C)on3)C2)CC[N@@H+]1C ZINC001569981208 1342987410 /nfs/dbraw/zinc/98/74/10/1342987410.db2.gz FBDHBYKXEWBINM-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001570006596 1342997284 /nfs/dbraw/zinc/99/72/84/1342997284.db2.gz QDDDWAMQPQQPFY-KRWDZBQOSA-N 2 0 346.519 2.388 10 0 EEAERP O=C(Cn1ccnc1)N1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001570094355 1343011429 /nfs/dbraw/zinc/01/14/29/1343011429.db2.gz DTHFAYYGPJDPCL-OAHLLOKOSA-N 2 0 332.473 2.158 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CC[C@H]3CCCCO3)CC2)CC1 ZINC001571693812 1343276011 /nfs/dbraw/zinc/27/60/11/1343276011.db2.gz MLGDPRAQOVXGBS-GOSISDBHSA-N 2 0 349.519 2.036 10 0 EEAERP C[N@H+](CC(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1)C1CCC1 ZINC001677003368 1357259773 /nfs/dbraw/zinc/25/97/73/1357259773.db2.gz FPZKLRBQQMPQDE-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1F ZINC001677640513 1357381059 /nfs/dbraw/zinc/38/10/59/1357381059.db2.gz RXMRDFSQUJABAC-GOSISDBHSA-N 2 0 333.451 2.426 10 0 EEAERP Cc1ccc(Cl)cc1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC001646953539 1353069876 /nfs/dbraw/zinc/06/98/76/1353069876.db2.gz KSJROXUOPLBHQJ-UHFFFAOYSA-N 2 0 340.899 2.331 10 0 EEAERP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCO2)ccn1 ZINC001647253057 1353207952 /nfs/dbraw/zinc/20/79/52/1353207952.db2.gz TVQLLOSGTWMYBV-ZRSRNVLSSA-N 2 0 331.460 2.048 10 0 EEAERP c1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H]4CC5(C[NH2+]C5)CO4)C3)nc2c1 ZINC001650034506 1353695803 /nfs/dbraw/zinc/69/58/03/1353695803.db2.gz FVINHBNKSBKWOF-LSDHHAIUSA-N 2 0 326.444 2.121 10 0 EEAERP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001661072700 1354585901 /nfs/dbraw/zinc/58/59/01/1354585901.db2.gz CIAAEZOMBPHEKX-GOSISDBHSA-N 2 0 349.519 2.034 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001662675377 1354824109 /nfs/dbraw/zinc/82/41/09/1354824109.db2.gz KYUPFAJYBOKSHA-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC001663941740 1355058397 /nfs/dbraw/zinc/05/83/97/1355058397.db2.gz LLSWDLNUZWZXCA-CRAIPNDOSA-N 2 0 340.471 2.123 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCOC)CC1 ZINC001664467478 1355171540 /nfs/dbraw/zinc/17/15/40/1355171540.db2.gz MKAAOZCFWATZEE-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@H]1CCOC1 ZINC001664516707 1355183818 /nfs/dbraw/zinc/18/38/18/1355183818.db2.gz KHXVVTCIKAGRSU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001666110284 1355453720 /nfs/dbraw/zinc/45/37/20/1355453720.db2.gz GEDSWOIEUFJSHI-PKOBYXMFSA-N 2 0 333.520 2.347 10 0 EEAERP CO[C@H](C)C[NH2+]CCC1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001666218993 1355487706 /nfs/dbraw/zinc/48/77/06/1355487706.db2.gz JVIAVJIVQBTZKW-CQSZACIVSA-N 2 0 344.459 2.430 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001666573359 1355547081 /nfs/dbraw/zinc/54/70/81/1355547081.db2.gz LFFJKVFFISSTOM-AWEZNQCLSA-N 2 0 332.448 2.023 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001666651040 1355558897 /nfs/dbraw/zinc/55/88/97/1355558897.db2.gz ANXWZNHHDPWPNX-BBRMVZONSA-N 2 0 340.899 2.163 10 0 EEAERP CCC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CCCCC1 ZINC001667151974 1355658968 /nfs/dbraw/zinc/65/89/68/1355658968.db2.gz YAMWXEOGXCMUOF-WMZOPIPTSA-N 2 0 339.524 2.019 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001667257101 1355689358 /nfs/dbraw/zinc/68/93/58/1355689358.db2.gz BAHFHHVUHZWLRY-RTBURBONSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668235074 1355905473 /nfs/dbraw/zinc/90/54/73/1355905473.db2.gz XELBAGVRDNDSHG-GOEBONIOSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001668274808 1355914223 /nfs/dbraw/zinc/91/42/23/1355914223.db2.gz ZUTWZOIKQPEMBN-HOTGVXAUSA-N 2 0 335.467 2.460 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001668324757 1355923412 /nfs/dbraw/zinc/92/34/12/1355923412.db2.gz DPGYSHKVBHRSPE-QFBILLFUSA-N 2 0 347.503 2.038 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668431268 1355939634 /nfs/dbraw/zinc/93/96/34/1355939634.db2.gz YRYFYCVVTGPXKW-LJQANCHMSA-N 2 0 329.488 2.009 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001668899229 1356039467 /nfs/dbraw/zinc/03/94/67/1356039467.db2.gz JUZCSHOCWDQUHR-ONEGZZNKSA-N 2 0 339.399 2.015 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC=C(Cl)Cl ZINC001669201115 1356122922 /nfs/dbraw/zinc/12/29/22/1356122922.db2.gz MFIHDTYUVHRUQP-CDJBXZAQSA-N 2 0 334.291 2.440 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669201397 1356123567 /nfs/dbraw/zinc/12/35/67/1356123567.db2.gz PFQDCKMGBCEERU-SNAWJCMRSA-N 2 0 342.443 2.120 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670276090 1356309925 /nfs/dbraw/zinc/30/99/25/1356309925.db2.gz UATLGESRBWZSJV-MJGOQNOKSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCCCF)C1 ZINC001671753999 1356408510 /nfs/dbraw/zinc/40/85/10/1356408510.db2.gz WSAPETWCSINTPS-AEFFLSMTSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]C/C=C\c2ccccc2)C1 ZINC001671779970 1356413056 /nfs/dbraw/zinc/41/30/56/1356413056.db2.gz ONBNXKIOWRUCKC-SONCPKABSA-N 2 0 329.488 2.480 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672521318 1356542928 /nfs/dbraw/zinc/54/29/28/1356542928.db2.gz CFSLSZLKDJKONW-FGTMMUONSA-N 2 0 339.524 2.207 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001672915232 1356614404 /nfs/dbraw/zinc/61/44/04/1356614404.db2.gz GNKWXVNKEUZQJL-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@H]2CCCO2)CC1)[NH+](C)C ZINC001672991309 1356627875 /nfs/dbraw/zinc/62/78/75/1356627875.db2.gz WVNQESKCGLZCPN-TVFCKZIOSA-N 2 0 339.524 2.160 10 0 EEAERP COCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001674002511 1356769591 /nfs/dbraw/zinc/76/95/91/1356769591.db2.gz XTAWNXLPEDWEME-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccns2)ccc2c[nH+]cn21 ZINC001674687188 1356876569 /nfs/dbraw/zinc/87/65/69/1356876569.db2.gz NFTMWLTVWYPTEH-RYUDHWBXSA-N 2 0 343.456 2.396 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001675268589 1356955260 /nfs/dbraw/zinc/95/52/60/1356955260.db2.gz BYPIQDDEQCLFQQ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCCC(F)(F)F ZINC001698621438 1405011717 /nfs/dbraw/zinc/01/17/17/1405011717.db2.gz XPOPIIFMTYXTEU-CYBMUJFWSA-N 2 0 335.414 2.299 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001698719702 1405024370 /nfs/dbraw/zinc/02/43/70/1405024370.db2.gz HSPSPZPDMFOSQN-HNNXBMFYSA-N 2 0 333.451 2.236 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)no1 ZINC001698904678 1405144169 /nfs/dbraw/zinc/14/41/69/1405144169.db2.gz KOCPYAUNDPKLSK-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc2sc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)nc2c1 ZINC001699297978 1405330953 /nfs/dbraw/zinc/33/09/53/1405330953.db2.gz HJZZESRZFUBJFS-SNAWJCMRSA-N 2 0 346.500 2.318 10 0 EEAERP COCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699848675 1405525689 /nfs/dbraw/zinc/52/56/89/1405525689.db2.gz QVSBJYJDKCKTIW-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH2+]CCc1ccccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261627952 779521295 /nfs/dbraw/zinc/52/12/95/779521295.db2.gz GXARJWKGPHPUQP-UHFFFAOYSA-N 2 0 329.488 2.397 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000823587808 787812034 /nfs/dbraw/zinc/81/20/34/787812034.db2.gz MSAYREAHCZPAFK-QYZOEREBSA-N 2 0 329.488 2.321 10 0 EEAERP O=C([C@@H](c1ccccc1)N1CCSCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918612 788475972 /nfs/dbraw/zinc/47/59/72/788475972.db2.gz GNFDWUOHPLLFSH-QZTJIDSGSA-N 2 0 345.512 2.083 10 0 EEAERP C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297947 789330903 /nfs/dbraw/zinc/33/09/03/789330903.db2.gz QEORFTNZYITHRR-AWEZNQCLSA-N 2 0 325.250 2.259 10 0 EEAERP C(C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323566 789382472 /nfs/dbraw/zinc/38/24/72/789382472.db2.gz JFFHDXZJUFLCGC-YNBOMUFVSA-N 2 0 329.492 2.324 10 0 EEAERP O[C@H](CCc1ccccc1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923408651 789514350 /nfs/dbraw/zinc/51/43/50/789514350.db2.gz DJMXWRIQSBRZJS-WOJBJXKFSA-N 2 0 332.488 2.071 10 0 EEAERP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923428333 789528878 /nfs/dbraw/zinc/52/88/78/789528878.db2.gz ONIRWHPYDKBUDF-FXAWDEMLSA-N 2 0 348.487 2.291 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000921591454 789793543 /nfs/dbraw/zinc/79/35/43/789793543.db2.gz VVLCBMVOHZCNJE-UHFFFAOYSA-N 2 0 333.480 2.067 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000916836900 797912400 /nfs/dbraw/zinc/91/24/00/797912400.db2.gz PNLIUTKEPHLMOE-WMZOPIPTSA-N 2 0 347.507 2.106 10 0 EEAERP CS[C@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000921940323 798247728 /nfs/dbraw/zinc/24/77/28/798247728.db2.gz QWFJPWLGXUUMHT-JYJNAYRXSA-N 2 0 329.554 2.343 10 0 EEAERP FC(F)(F)[C@H]1CC[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)O1 ZINC000929285186 800044315 /nfs/dbraw/zinc/04/43/15/800044315.db2.gz YJWBPWCUPSGGFS-LSDHHAIUSA-N 2 0 336.398 2.141 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000922336377 800683344 /nfs/dbraw/zinc/68/33/44/800683344.db2.gz XYNGBOQADCVEMY-POAQFYNOSA-N 2 0 344.503 2.290 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806861783 812012170 /nfs/dbraw/zinc/01/21/70/812012170.db2.gz UUBNDTWBGWNIJV-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP CC1(C)C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCF)C1 ZINC001436499975 1088023353 /nfs/dbraw/zinc/02/33/53/1088023353.db2.gz OKJWUMYBGJRIEF-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436794815 1088364076 /nfs/dbraw/zinc/36/40/76/1088364076.db2.gz YTGCMDRNINGIFW-HOTGVXAUSA-N 2 0 336.505 2.000 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001436824279 1088425195 /nfs/dbraw/zinc/42/51/95/1088425195.db2.gz CSUOGEMIIMEMFO-GXTWGEPZSA-N 2 0 341.908 2.338 10 0 EEAERP CC[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC)OC ZINC001436861188 1088511610 /nfs/dbraw/zinc/51/16/10/1088511610.db2.gz NKYMQULSSVWGJQ-XDNAFOTISA-N 2 0 339.524 2.207 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)CCO1 ZINC001436916611 1088577686 /nfs/dbraw/zinc/57/76/86/1088577686.db2.gz SVYXCXIJMMYRNE-QBPKDAKJSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1cnc([C@@H](C)[NH+]2CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001437001048 1088755453 /nfs/dbraw/zinc/75/54/53/1088755453.db2.gz IRKLWKXYYIMYJN-SJORKVTESA-N 2 0 347.507 2.014 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001437044861 1088919327 /nfs/dbraw/zinc/91/93/27/1088919327.db2.gz YQGJNFQYUBWEAR-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001437059568 1088958898 /nfs/dbraw/zinc/95/88/98/1088958898.db2.gz ANVALBXUNWZSBQ-GDBMZVCRSA-N 2 0 348.491 2.220 10 0 EEAERP COc1ccc(CC[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001437375156 1089618098 /nfs/dbraw/zinc/61/80/98/1089618098.db2.gz WPISDNYLUHXKBU-GPMSIDNRSA-N 2 0 347.503 2.062 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CCc2ccccc2)CC[N@@H+]1C ZINC001437591835 1090090798 /nfs/dbraw/zinc/09/07/98/1090090798.db2.gz BUCCBWUNMNVBAW-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCc1ccccc1 ZINC001437595964 1090100732 /nfs/dbraw/zinc/10/07/32/1090100732.db2.gz ZOLUUVMMKFRTBH-LJQANCHMSA-N 2 0 329.488 2.009 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cncc(C)c1 ZINC001437761617 1090336647 /nfs/dbraw/zinc/33/66/47/1090336647.db2.gz KIJGUOILQBGODI-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437919091 1090506386 /nfs/dbraw/zinc/50/63/86/1090506386.db2.gz PTILYBCAVAMJSX-AEFFLSMTSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437976911 1090568797 /nfs/dbraw/zinc/56/87/97/1090568797.db2.gz HBMUCXULEVKGIW-JKSUJKDBSA-N 2 0 325.472 2.143 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438161101 1090674216 /nfs/dbraw/zinc/67/42/16/1090674216.db2.gz QZCLMQBXZJXUSW-IYBDPMFKSA-N 2 0 333.520 2.488 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC001438268140 1090750506 /nfs/dbraw/zinc/75/05/06/1090750506.db2.gz PSFMQMUJAZKITI-HNNXBMFYSA-N 2 0 338.521 2.134 10 0 EEAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C)s1 ZINC001438311957 1090790068 /nfs/dbraw/zinc/79/00/68/1090790068.db2.gz RXDXNNCOCFCXRI-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1F ZINC001438374367 1090854259 /nfs/dbraw/zinc/85/42/59/1090854259.db2.gz JHZJIDBITHWHML-CZUORRHYSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1conc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438422916 1090918138 /nfs/dbraw/zinc/91/81/38/1090918138.db2.gz WBCDPUMZYPGNJB-YZVOILCLSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001438445063 1090948430 /nfs/dbraw/zinc/94/84/30/1090948430.db2.gz NEUKTWXTPAJJKG-SHTZXODSSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@H](CNCc1cscn1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001445390049 1091134342 /nfs/dbraw/zinc/13/43/42/1091134342.db2.gz MXTJDFQPTHGBEE-CJNGLKHVSA-N 2 0 336.505 2.144 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C23CCC[NH+]2CCC3)o1 ZINC001438660536 1091149167 /nfs/dbraw/zinc/14/91/67/1091149167.db2.gz GCDNPRNREVROHC-CQSZACIVSA-N 2 0 348.491 2.110 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001438856604 1091492083 /nfs/dbraw/zinc/49/20/83/1091492083.db2.gz SUDWWNBUANLFRX-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445817256 1091695695 /nfs/dbraw/zinc/69/56/95/1091695695.db2.gz PZHGPBKWVBVOMQ-CRAIPNDOSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC001445981111 1091942640 /nfs/dbraw/zinc/94/26/40/1091942640.db2.gz NUTBOUKQRBNABI-LPHOPBHVSA-N 2 0 329.488 2.321 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001446087883 1092110546 /nfs/dbraw/zinc/11/05/46/1092110546.db2.gz VTCOIKFQMKMBDL-KRWDZBQOSA-N 2 0 337.895 2.415 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ncccc1C)C1CC1 ZINC001439460125 1092236766 /nfs/dbraw/zinc/23/67/66/1092236766.db2.gz WHHATIIXPVNHBQ-RTBURBONSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001446293769 1092454927 /nfs/dbraw/zinc/45/49/27/1092454927.db2.gz IJDIPECJOUHEME-HUUCEWRRSA-N 2 0 330.476 2.001 10 0 EEAERP Cc1oncc1C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001439801834 1092757981 /nfs/dbraw/zinc/75/79/81/1092757981.db2.gz DALBATCWPQQOCV-GJZGRUSLSA-N 2 0 348.491 2.327 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439831995 1092823430 /nfs/dbraw/zinc/82/34/30/1092823430.db2.gz RUQGYZWEOJJNPA-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP COc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001439888232 1092944703 /nfs/dbraw/zinc/94/47/03/1092944703.db2.gz NWMSYZPJMALKPP-ICSRJNTNSA-N 2 0 345.487 2.118 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001439908721 1092976657 /nfs/dbraw/zinc/97/66/57/1092976657.db2.gz ZTKVQSWBJGRRMF-DPGSSJLYSA-N 2 0 348.318 2.475 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cncc(C)c1)C2 ZINC001440111335 1093171500 /nfs/dbraw/zinc/17/15/00/1093171500.db2.gz NSQUXIFUNXUJQJ-WDSOQIARSA-N 2 0 344.503 2.201 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001440313423 1093444900 /nfs/dbraw/zinc/44/49/00/1093444900.db2.gz LCHNTHJCJLGLOJ-YRBFXIGRSA-N 2 0 348.466 2.078 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001440342848 1093492152 /nfs/dbraw/zinc/49/21/52/1093492152.db2.gz QJTVYWGUSZDTHM-KPGIPAPCSA-N 2 0 325.884 2.240 10 0 EEAERP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]3C2)o1 ZINC001448477828 1093495811 /nfs/dbraw/zinc/49/58/11/1093495811.db2.gz WCPXUOCJWPTXBX-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001440399146 1093582141 /nfs/dbraw/zinc/58/21/41/1093582141.db2.gz CCIFEHLHKVQHHV-FUHWJXTLSA-N 2 0 344.503 2.249 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ocnc1C)C1CC1 ZINC001448591806 1093651289 /nfs/dbraw/zinc/65/12/89/1093651289.db2.gz ZXYDDUIGHQUJRA-DLBZAZTESA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]2C1 ZINC001440448337 1093660484 /nfs/dbraw/zinc/66/04/84/1093660484.db2.gz MUNSSCOCRPTDKI-WBVHZDCISA-N 2 0 333.451 2.058 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)CC[NH+]2CCCCC2)o1 ZINC001440485071 1093719532 /nfs/dbraw/zinc/71/95/32/1093719532.db2.gz VSWVDFWKOMNVQH-UHFFFAOYSA-N 2 0 336.480 2.139 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2OC)[C@@H]1C ZINC001440492106 1093729421 /nfs/dbraw/zinc/72/94/21/1093729421.db2.gz XWWBNMLRYDOBEG-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP COCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001440527288 1093783033 /nfs/dbraw/zinc/78/30/33/1093783033.db2.gz IONGIIATDGMORU-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ncccc1C)CC2)[NH+](C)C ZINC001449013988 1094015686 /nfs/dbraw/zinc/01/56/86/1094015686.db2.gz OAMFSTQASIMZGK-NSHGMRRFSA-N 2 0 344.503 2.343 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)s1 ZINC001440838666 1094092214 /nfs/dbraw/zinc/09/22/14/1094092214.db2.gz OFCMJBVADCDNAT-NEPJUHHUSA-N 2 0 338.521 2.085 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440850655 1094109198 /nfs/dbraw/zinc/10/91/98/1094109198.db2.gz CVVXDDRSCKYZDF-IAGOWNOFSA-N 2 0 331.504 2.370 10 0 EEAERP CC(C)N(CC[N@H+](C)CCCC1CCC1)C(=O)[C@H]1CN(C)CCO1 ZINC001449254270 1094201628 /nfs/dbraw/zinc/20/16/28/1094201628.db2.gz BOEFIYZJFDGPPK-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2Cc2cccnc2)C1 ZINC001441124342 1094446563 /nfs/dbraw/zinc/44/65/63/1094446563.db2.gz BKZYJMWZNIBTOM-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001441143202 1094480169 /nfs/dbraw/zinc/48/01/69/1094480169.db2.gz DDIJQAGMYHRREJ-WMLDXEAASA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441163903 1094512694 /nfs/dbraw/zinc/51/26/94/1094512694.db2.gz RYRLEKXDAOBTIV-KBPBESRZSA-N 2 0 343.462 2.343 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC001441172010 1094525779 /nfs/dbraw/zinc/52/57/79/1094525779.db2.gz GIHDQSIPMLYQQZ-KBPBESRZSA-N 2 0 341.908 2.480 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001441254636 1094652291 /nfs/dbraw/zinc/65/22/91/1094652291.db2.gz MRPBQYWBMHLERT-SFHVURJKSA-N 2 0 346.519 2.031 10 0 EEAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441281062 1094700606 /nfs/dbraw/zinc/70/06/06/1094700606.db2.gz AZOJCSHMSQHMCS-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001441337098 1094814398 /nfs/dbraw/zinc/81/43/98/1094814398.db2.gz HWHPCAAMHWSWSE-KZNAEPCWSA-N 2 0 344.503 2.140 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCF)C[C@H]2C1 ZINC001441338488 1094824743 /nfs/dbraw/zinc/82/47/43/1094824743.db2.gz JIULIXWYASPKGX-KZNAEPCWSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCn3ccnc3)C2)o1 ZINC001441361475 1094881130 /nfs/dbraw/zinc/88/11/30/1094881130.db2.gz RSFYHDCHOONQQB-SHTZXODSSA-N 2 0 345.447 2.069 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441435776 1095043915 /nfs/dbraw/zinc/04/39/15/1095043915.db2.gz DYDGDCCOAUGZQZ-OALUTQOASA-N 2 0 344.503 2.283 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[NH+]1CCCC1 ZINC001441439738 1095058551 /nfs/dbraw/zinc/05/85/51/1095058551.db2.gz MEAWIIGIENZCMP-KZNAEPCWSA-N 2 0 348.466 2.078 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001441620280 1095488526 /nfs/dbraw/zinc/48/85/26/1095488526.db2.gz QRGQPLBDOLUORS-RNRBBCFGSA-N 2 0 348.318 2.475 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC001441643141 1095566031 /nfs/dbraw/zinc/56/60/31/1095566031.db2.gz PTMDPYRICBRNRV-LJQANCHMSA-N 2 0 329.488 2.296 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441869755 1095983290 /nfs/dbraw/zinc/98/32/90/1095983290.db2.gz KBLPLQHPBXGQSX-CQSZACIVSA-N 2 0 348.491 2.329 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)n1 ZINC001441912568 1096086637 /nfs/dbraw/zinc/08/66/37/1096086637.db2.gz JGDMDVTYCOQTSO-HNNXBMFYSA-N 2 0 332.492 2.167 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)C(C)(C)C1 ZINC001441925101 1096109811 /nfs/dbraw/zinc/10/98/11/1096109811.db2.gz BGMFWOQTTGIUCQ-SFHVURJKSA-N 2 0 346.519 2.367 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)o1 ZINC001442186798 1096457950 /nfs/dbraw/zinc/45/79/50/1096457950.db2.gz SDJNSADWUWCJPV-OAHLLOKOSA-N 2 0 338.496 2.118 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC001442251719 1096553130 /nfs/dbraw/zinc/55/31/30/1096553130.db2.gz NDEBWICFMWIPOM-CZUORRHYSA-N 2 0 336.480 2.150 10 0 EEAERP C[N@@H+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001442401342 1096722069 /nfs/dbraw/zinc/72/20/69/1096722069.db2.gz LVDSIYZSMJQGBJ-MTCRFPMVSA-N 2 0 327.472 2.090 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ccc2F)C1)[NH+](C)C ZINC001442860748 1097253961 /nfs/dbraw/zinc/25/39/61/1097253961.db2.gz GEQMIVRIWIKRJF-MAUKXSAKSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001442885356 1097281275 /nfs/dbraw/zinc/28/12/75/1097281275.db2.gz SZGLMFYRVOIZMR-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1c(C)nsc1C ZINC001443934073 1098453466 /nfs/dbraw/zinc/45/34/66/1098453466.db2.gz NHAIVSFOYFQICT-CQSZACIVSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001479493992 1098563276 /nfs/dbraw/zinc/56/32/76/1098563276.db2.gz FCTQDMYLXIDJKA-LSDHHAIUSA-N 2 0 338.521 2.166 10 0 EEAERP O=C(NC1(C[NH2+]Cc2cncs2)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001444058629 1098582258 /nfs/dbraw/zinc/58/22/58/1098582258.db2.gz BJYVVIPOQMOXPY-INIZCTEOSA-N 2 0 348.516 2.004 10 0 EEAERP CC[NH+](CC)CC[C@@H](C)NC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001479605251 1098628171 /nfs/dbraw/zinc/62/81/71/1098628171.db2.gz STSRDGLLTRTPDO-IAGOWNOFSA-N 2 0 326.529 2.480 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001444309311 1098866800 /nfs/dbraw/zinc/86/68/00/1098866800.db2.gz MHEPPVFKLPTPHK-LZLYRXPVSA-N 2 0 346.519 2.387 10 0 EEAERP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828518 1099108692 /nfs/dbraw/zinc/10/86/92/1099108692.db2.gz BEHRBYGEYLZDKY-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP O=C(NCCC[N@H+](C[C@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001479873135 1099222378 /nfs/dbraw/zinc/22/23/78/1099222378.db2.gz VLKYCBDWBHBWTG-GOSISDBHSA-N 2 0 349.519 2.155 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC23CC[NH+](CC2CCCC2)CC3)CC1 ZINC001479985750 1099444554 /nfs/dbraw/zinc/44/45/54/1099444554.db2.gz VYZFNYLYXKYCQD-KRWDZBQOSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C(=O)CC[NH+](C)C ZINC001444670382 1099510591 /nfs/dbraw/zinc/51/05/91/1099510591.db2.gz RXTABGPRMXWTRP-IAGOWNOFSA-N 2 0 331.504 2.180 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001480060898 1099587165 /nfs/dbraw/zinc/58/71/65/1099587165.db2.gz YIWKBJNCWZKRPM-GOSISDBHSA-N 2 0 345.462 2.214 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC001444790575 1099701817 /nfs/dbraw/zinc/70/18/17/1099701817.db2.gz SWHZWPSTNCCVDS-AEFFLSMTSA-N 2 0 346.519 2.031 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001444798020 1099715400 /nfs/dbraw/zinc/71/54/00/1099715400.db2.gz XQAIAOWVQRSCSP-PBHICJAKSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001480262358 1099945475 /nfs/dbraw/zinc/94/54/75/1099945475.db2.gz KSKBLUMCQVOJDZ-GOSISDBHSA-N 2 0 347.503 2.154 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444986072 1100114179 /nfs/dbraw/zinc/11/41/79/1100114179.db2.gz FVMHRXGZJHDDTF-QFBILLFUSA-N 2 0 329.488 2.480 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)CC[NH+](C)C1CCCCC1 ZINC001445015836 1100167872 /nfs/dbraw/zinc/16/78/72/1100167872.db2.gz VJJGAOYOUIMRLY-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP COc1ccc(CC[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001480408394 1100224262 /nfs/dbraw/zinc/22/42/62/1100224262.db2.gz RWPZKQZRBOTMQG-UHFFFAOYSA-N 2 0 347.503 2.206 10 0 EEAERP COCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001480458982 1100263923 /nfs/dbraw/zinc/26/39/23/1100263923.db2.gz GXTLJQKDAXVESX-APWZRJJASA-N 2 0 347.503 2.300 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCc2ccc(C)cc2)CC[N@@H+]1C ZINC001480463641 1100268488 /nfs/dbraw/zinc/26/84/88/1100268488.db2.gz GQKFBKRPMKLPEW-YTQUADARSA-N 2 0 331.504 2.362 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001480480331 1100288997 /nfs/dbraw/zinc/28/89/97/1100288997.db2.gz QQORCKKJUYVCQU-WBVHZDCISA-N 2 0 333.476 2.164 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)c2ccc3c[nH+]cn3c2C)sn1 ZINC001480492350 1100304551 /nfs/dbraw/zinc/30/45/51/1100304551.db2.gz IURGAWPLWSAQRW-LBPRGKRZSA-N 2 0 343.456 2.316 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC001495210952 1100893332 /nfs/dbraw/zinc/89/33/32/1100893332.db2.gz KEZTXKQGFWVYGO-IAGOWNOFSA-N 2 0 344.503 2.473 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001496376210 1100968901 /nfs/dbraw/zinc/96/89/01/1100968901.db2.gz PLYOJVGAVDYMRN-MJGOQNOKSA-N 2 0 331.504 2.396 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449673 1101041718 /nfs/dbraw/zinc/04/17/18/1101041718.db2.gz PEYSUXYDRAHTCR-NVXWUHKLSA-N 2 0 335.467 2.494 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001496463649 1101055987 /nfs/dbraw/zinc/05/59/87/1101055987.db2.gz TUAHOKHTXZPOQB-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001495377444 1101096596 /nfs/dbraw/zinc/09/65/96/1101096596.db2.gz FLXJJPMOYHJPQD-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001495380138 1101100343 /nfs/dbraw/zinc/10/03/43/1101100343.db2.gz PSOLQEJLOMKCHB-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001495567786 1101277828 /nfs/dbraw/zinc/27/78/28/1101277828.db2.gz XVASHUWFSDGVQD-RTBURBONSA-N 2 0 329.488 2.294 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccn2)C3)CCC1 ZINC001446923137 1101601049 /nfs/dbraw/zinc/60/10/49/1101601049.db2.gz HLLFUVWLJJSPKD-JQHSSLGASA-N 2 0 342.487 2.035 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001446942014 1101630552 /nfs/dbraw/zinc/63/05/52/1101630552.db2.gz NVMXXBWFEFYIHE-MAUKXSAKSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001446942450 1101630995 /nfs/dbraw/zinc/63/09/95/1101630995.db2.gz LIJIYASPJGYYLR-DOTOQJQBSA-N 2 0 335.467 2.493 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001495815685 1101634707 /nfs/dbraw/zinc/63/47/07/1101634707.db2.gz RLSRXXFQRJFSMN-KBPBESRZSA-N 2 0 337.430 2.401 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccn(C)n1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497220016 1102146312 /nfs/dbraw/zinc/14/63/12/1102146312.db2.gz GUAJTHVHRSZRBX-OAHLLOKOSA-N 2 0 349.523 2.058 10 0 EEAERP CCC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001447410129 1102605734 /nfs/dbraw/zinc/60/57/34/1102605734.db2.gz DBEAGSFBRLNREV-HOTGVXAUSA-N 2 0 348.491 2.266 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001497580675 1102694710 /nfs/dbraw/zinc/69/47/10/1102694710.db2.gz WRMTUMIVCZXUDE-WBXGCANISA-N 2 0 337.508 2.080 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497678329 1102889474 /nfs/dbraw/zinc/88/94/74/1102889474.db2.gz DWUCMRYUABSIQY-TVYZCSMLSA-N 2 0 343.515 2.394 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CC=C(Cl)Cl)CC2)C1 ZINC001447573715 1102892607 /nfs/dbraw/zinc/89/26/07/1102892607.db2.gz XVNSYOAKLLSVCE-LBPRGKRZSA-N 2 0 334.291 2.228 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC001447614851 1102975445 /nfs/dbraw/zinc/97/54/45/1102975445.db2.gz LQCIAWGLCWBBGK-HNNXBMFYSA-N 2 0 347.503 2.342 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C(Cl)=C/Cl ZINC001447644652 1103040542 /nfs/dbraw/zinc/04/05/42/1103040542.db2.gz RWYBCEKBEJWIEU-HSNXVVJJSA-N 2 0 334.291 2.132 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCCCCF)C2)CC[N@@H+]1C ZINC001494135412 1103581854 /nfs/dbraw/zinc/58/18/54/1103581854.db2.gz PHQKZVIJWMVHKN-BRWVUGGUSA-N 2 0 327.488 2.247 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@H+](C)CCCCCF)C2)CCC1 ZINC001494136631 1103583693 /nfs/dbraw/zinc/58/36/93/1103583693.db2.gz FFBINIMWXXIZPV-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447915951 1103587477 /nfs/dbraw/zinc/58/74/77/1103587477.db2.gz XNZLWCJHTVAJLW-GJZGRUSLSA-N 2 0 333.476 2.041 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001494178633 1103651939 /nfs/dbraw/zinc/65/19/39/1103651939.db2.gz MDGOJHWCQQCMCA-GOSISDBHSA-N 2 0 347.503 2.316 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCCOC)C1 ZINC001494178100 1103651989 /nfs/dbraw/zinc/65/19/89/1103651989.db2.gz GNYSCNBZTAXKCW-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccncc1C[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001447975088 1103715921 /nfs/dbraw/zinc/71/59/21/1103715921.db2.gz BMFSZRQYNVPQMR-UHFFFAOYSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001494718900 1104301686 /nfs/dbraw/zinc/30/16/86/1104301686.db2.gz ABZSMFNKXFXSII-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC/C=C\c3ccccc3)C2)C1 ZINC001494736737 1104318437 /nfs/dbraw/zinc/31/84/37/1104318437.db2.gz NEFYOBKGCRPMHF-CVLYKSAASA-N 2 0 327.472 2.232 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001494841459 1104440454 /nfs/dbraw/zinc/44/04/54/1104440454.db2.gz IAJXFZRZVMXERB-GOSISDBHSA-N 2 0 344.503 2.073 10 0 EEAERP C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497991369 1106749146 /nfs/dbraw/zinc/74/91/46/1106749146.db2.gz ZYCRELCFDHAULE-CQSZACIVSA-N 2 0 344.434 2.190 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001480637395 1106804142 /nfs/dbraw/zinc/80/41/42/1106804142.db2.gz QKYDVLQZGNDDAR-CIJAKILZSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045476 1106830311 /nfs/dbraw/zinc/83/03/11/1106830311.db2.gz WTJYOAUZICHKCD-YWPYICTPSA-N 2 0 341.858 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480709734 1106932103 /nfs/dbraw/zinc/93/21/03/1106932103.db2.gz MLYDIOIHEQKELC-SJORKVTESA-N 2 0 336.455 2.078 10 0 EEAERP C[NH+]1CCC(CC(=O)NCCC[C@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001480829619 1107216449 /nfs/dbraw/zinc/21/64/49/1107216449.db2.gz MOVMIWYHTGDWAT-SFHVURJKSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001493138920 1107578407 /nfs/dbraw/zinc/57/84/07/1107578407.db2.gz YHBPOEISUBKVEW-IEBWSBKVSA-N 2 0 329.488 2.417 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001493141415 1107584896 /nfs/dbraw/zinc/58/48/96/1107584896.db2.gz JGFSNMCZVLHCCW-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001454767837 1107618605 /nfs/dbraw/zinc/61/86/05/1107618605.db2.gz JYELTQDRJRUULM-BPQIPLTHSA-N 2 0 348.539 2.236 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)[NH+]1CCCCC1 ZINC001493163447 1107622476 /nfs/dbraw/zinc/62/24/76/1107622476.db2.gz VVTLGNCMAYRTIT-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)Cc1cncn1C ZINC001498641631 1107873580 /nfs/dbraw/zinc/87/35/80/1107873580.db2.gz JYPXQIIYUMDSHF-UHFFFAOYSA-N 2 0 339.443 2.082 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001498659474 1107913445 /nfs/dbraw/zinc/91/34/45/1107913445.db2.gz YATOBBZZBJRGDP-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP Cc1ccncc1C[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001493379366 1108026725 /nfs/dbraw/zinc/02/67/25/1108026725.db2.gz BLRJOUKQASNANM-SFHVURJKSA-N 2 0 344.503 2.345 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)C1CC[NH+](C)CC1 ZINC001493681879 1108499753 /nfs/dbraw/zinc/49/97/53/1108499753.db2.gz QOUNNEZWXDJHIZ-KRWDZBQOSA-N 2 0 343.515 2.181 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762170 1108637872 /nfs/dbraw/zinc/63/78/72/1108637872.db2.gz RKMPHLURGBABDM-KRWDZBQOSA-N 2 0 331.504 2.181 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)C[NH+]1CCCC1 ZINC001493793368 1108672384 /nfs/dbraw/zinc/67/23/84/1108672384.db2.gz HHICLKGIPPKYGJ-SFHVURJKSA-N 2 0 329.488 2.250 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001465233818 1110413728 /nfs/dbraw/zinc/41/37/28/1110413728.db2.gz CKWPOYCWIPNVGC-SFHVURJKSA-N 2 0 344.503 2.283 10 0 EEAERP O=C(CC[N@@H+]1CC[C@@H](F)C1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC001466570969 1110438548 /nfs/dbraw/zinc/43/85/48/1110438548.db2.gz MBMXVCSAIJHLQY-MRXNPFEDSA-N 2 0 349.450 2.016 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@@H+]1C ZINC001471396046 1110522051 /nfs/dbraw/zinc/52/20/51/1110522051.db2.gz NUWHKISCGULTDX-AEFFLSMTSA-N 2 0 344.503 2.385 10 0 EEAERP CCOC(=O)CC(C)(C)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001473678328 1110578678 /nfs/dbraw/zinc/57/86/78/1110578678.db2.gz XHSMCYSRNWRGNY-INIZCTEOSA-N 2 0 328.497 2.399 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001499908156 1112536496 /nfs/dbraw/zinc/53/64/96/1112536496.db2.gz BYQZUHKYCKKTTP-IDSJHHPBSA-N 2 0 327.900 2.440 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001499945006 1112550951 /nfs/dbraw/zinc/55/09/51/1112550951.db2.gz RPOGEIAADFLGDP-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CC(C)=CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001500018661 1112581336 /nfs/dbraw/zinc/58/13/36/1112581336.db2.gz MJFRJOVKSWAOAE-GOSISDBHSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CCCC2)on1 ZINC001500088399 1112612003 /nfs/dbraw/zinc/61/20/03/1112612003.db2.gz LOUXMKINXBFEHM-OLMNPRSZSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1cnc([C@H](C)[NH+]2CCC(C)(CNC(=O)CC[NH+](C)C)CC2)cn1 ZINC001500443958 1112836435 /nfs/dbraw/zinc/83/64/35/1112836435.db2.gz CCTHGVXYOFCTTD-INIZCTEOSA-N 2 0 347.507 2.016 10 0 EEAERP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001500496695 1112888273 /nfs/dbraw/zinc/88/82/73/1112888273.db2.gz XGFLTWQQRCNHFS-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001500552707 1112942152 /nfs/dbraw/zinc/94/21/52/1112942152.db2.gz JWTPLFGNCBWYHK-GOSISDBHSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCC2)C1 ZINC001501170413 1113226239 /nfs/dbraw/zinc/22/62/39/1113226239.db2.gz UPHAAZKJRWTRPW-OQIJWPOYSA-N 2 0 333.520 2.488 10 0 EEAERP Cc1ccc(CC[N@H+]2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001501422461 1113354254 /nfs/dbraw/zinc/35/42/54/1113354254.db2.gz QGXMQNUPIDDJBW-VQTJNVASSA-N 2 0 343.515 2.412 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001501575250 1113388308 /nfs/dbraw/zinc/38/83/08/1113388308.db2.gz XDAVDUAKKFPAHI-RDJZCZTQSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501647757 1113414541 /nfs/dbraw/zinc/41/45/41/1113414541.db2.gz PMWSEMWJKATYMR-SJLPKXTDSA-N 2 0 347.478 2.414 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCc2ccccc2)CCC1 ZINC001501927901 1113526471 /nfs/dbraw/zinc/52/64/71/1113526471.db2.gz GHCBZFFWPJHLQD-SFHVURJKSA-N 2 0 329.488 2.342 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001505679923 1114127438 /nfs/dbraw/zinc/12/74/38/1114127438.db2.gz YJCGHKUSZNPYEU-KBPBESRZSA-N 2 0 332.448 2.152 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001505725383 1114153112 /nfs/dbraw/zinc/15/31/12/1114153112.db2.gz SMDBEZLTEPBKQR-CHWSQXEVSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001507106601 1115111891 /nfs/dbraw/zinc/11/18/91/1115111891.db2.gz MJASFRYXPZZQMK-HNNXBMFYSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)CC[NH+](C)C ZINC001507315733 1115187958 /nfs/dbraw/zinc/18/79/58/1115187958.db2.gz CDGFBHXVNANIKO-MAUKXSAKSA-N 2 0 335.467 2.289 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507318090 1115189498 /nfs/dbraw/zinc/18/94/98/1115189498.db2.gz HVAAPJFQCGEQGX-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001507387016 1115245102 /nfs/dbraw/zinc/24/51/02/1115245102.db2.gz WOOOWHGKPCYUJP-DLBZAZTESA-N 2 0 339.524 2.255 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC001507427798 1115263277 /nfs/dbraw/zinc/26/32/77/1115263277.db2.gz LIHDBNUFTCSOTJ-ZWKOTPCHSA-N 2 0 345.487 2.036 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC001507450431 1115276408 /nfs/dbraw/zinc/27/64/08/1115276408.db2.gz FOEJEBVDZPZAGL-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001508136722 1115425475 /nfs/dbraw/zinc/42/54/75/1115425475.db2.gz NPQDHLCWTSQOIS-NRXISQOPSA-N 2 0 338.883 2.154 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001568065614 1124271189 /nfs/dbraw/zinc/27/11/89/1124271189.db2.gz CLRVVQDRTLNZPQ-BCFOUKGLSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001568097981 1124301196 /nfs/dbraw/zinc/30/11/96/1124301196.db2.gz NJZZAAXGDWBVIP-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCCOc1ccccc1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568281887 1124402911 /nfs/dbraw/zinc/40/29/11/1124402911.db2.gz YWCVSQOQUGRDLJ-PKOBYXMFSA-N 2 0 347.503 2.376 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001568358073 1124435470 /nfs/dbraw/zinc/43/54/70/1124435470.db2.gz NZABWDJYNZAKFI-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001568364340 1124439058 /nfs/dbraw/zinc/43/90/58/1124439058.db2.gz VEILBPIPFDPISC-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568667154 1124680406 /nfs/dbraw/zinc/68/04/06/1124680406.db2.gz CIYQDTSMMQGLKD-HOCLYGCPSA-N 2 0 344.459 2.297 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671519 1124685160 /nfs/dbraw/zinc/68/51/60/1124685160.db2.gz SSJNZKAOVYTKOF-ZIAGYGMSSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccc(OCC[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001568674304 1124687735 /nfs/dbraw/zinc/68/77/35/1124687735.db2.gz KDJZRQJTPXEIGL-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001568698845 1124713099 /nfs/dbraw/zinc/71/30/99/1124713099.db2.gz JBKLAWYCXKFXDJ-CABCVRRESA-N 2 0 336.480 2.124 10 0 EEAERP CCN(CC[NH2+]C[C@@H](OC)C1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568753226 1124767141 /nfs/dbraw/zinc/76/71/41/1124767141.db2.gz BOBPVIJOGMRHLF-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568905701 1124932610 /nfs/dbraw/zinc/93/26/10/1124932610.db2.gz DBENZAUBVSRXLO-ZZGCUDHESA-N 2 0 337.508 2.080 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001569056485 1125069090 /nfs/dbraw/zinc/06/90/90/1125069090.db2.gz DSORFEQUBOYGPV-YJBOKZPZSA-N 2 0 335.467 2.335 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569078088 1125083932 /nfs/dbraw/zinc/08/39/32/1125083932.db2.gz WFVCDQXSVWHOQC-INIZCTEOSA-N 2 0 347.503 2.064 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)n(C)n1 ZINC000423070502 240350629 /nfs/dbraw/zinc/35/06/29/240350629.db2.gz CWHIACFWQZPLAG-WDSOQIARSA-N 2 0 341.503 2.245 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000423079128 240356122 /nfs/dbraw/zinc/35/61/22/240356122.db2.gz XGZQVLYKXIPXBU-XLAORIBOSA-N 2 0 331.508 2.208 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414566985 238703800 /nfs/dbraw/zinc/70/38/00/238703800.db2.gz XJRBSIPVNIWSMT-YFVAEKQCSA-N 2 0 346.515 2.459 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nc(C)cs2)CC[NH2+]CC1 ZINC000422705826 240183078 /nfs/dbraw/zinc/18/30/78/240183078.db2.gz SHEDDBHPLUODMS-OLZOCXBDSA-N 2 0 325.478 2.424 10 0 EEAERP C[C@H](CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000422818109 240245459 /nfs/dbraw/zinc/24/54/59/240245459.db2.gz FPYKXZNIHOMCRW-NSISKUIASA-N 2 0 331.504 2.254 10 0 EEAERP Cc1ccc([C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422828613 240248579 /nfs/dbraw/zinc/24/85/79/240248579.db2.gz ONUVRRYLZCTZTD-PWRODBHTSA-N 2 0 343.515 2.489 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000422911520 240286366 /nfs/dbraw/zinc/28/63/66/240286366.db2.gz TYAXATHPZKYAES-HUUCEWRRSA-N 2 0 341.883 2.271 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2cccnc2)C2CC2)CC[NH2+]CC1 ZINC000423009310 240327714 /nfs/dbraw/zinc/32/77/14/240327714.db2.gz COLDIQPXGWCORZ-RHSMWYFYSA-N 2 0 331.460 2.444 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1C[NH2+]C1 ZINC000423157452 240388425 /nfs/dbraw/zinc/38/84/25/240388425.db2.gz VBZFMUKHLLWLLJ-RISCZKNCSA-N 2 0 332.398 2.341 10 0 EEAERP CS[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH+](C)C ZINC000426995007 241363789 /nfs/dbraw/zinc/36/37/89/241363789.db2.gz LVRAJCZMSCDGQI-CABCVRRESA-N 2 0 327.538 2.003 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105141222 204136386 /nfs/dbraw/zinc/13/63/86/204136386.db2.gz DLAAREREQSCRMO-GOSISDBHSA-N 2 0 330.476 2.128 10 0 EEAERP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042951842 204186511 /nfs/dbraw/zinc/18/65/11/204186511.db2.gz LLRMEHFSNCTKPE-GJZGRUSLSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000268602596 252058781 /nfs/dbraw/zinc/05/87/81/252058781.db2.gz VGOBTDAZMNADBZ-QFBILLFUSA-N 2 0 344.503 2.385 10 0 EEAERP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000270347082 256125842 /nfs/dbraw/zinc/12/58/42/256125842.db2.gz MXBHZNFFFREOOZ-QZTJIDSGSA-N 2 0 330.476 2.215 10 0 EEAERP COc1cccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000273178037 256273660 /nfs/dbraw/zinc/27/36/60/256273660.db2.gz DKPDIAQFYXYOKI-GOSISDBHSA-N 2 0 333.476 2.146 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000423047717 285373998 /nfs/dbraw/zinc/37/39/98/285373998.db2.gz VOQBUJBWWUMUEN-PWIZWCRZSA-N 2 0 347.503 2.317 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)CC[N@@H+]1Cc1ccccc1 ZINC000263003134 152355144 /nfs/dbraw/zinc/35/51/44/152355144.db2.gz OYACLHAXFVSZMI-VNQPRFMTSA-N 2 0 337.414 2.153 10 0 EEAERP CC1CC[NH+](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107833014 159336976 /nfs/dbraw/zinc/33/69/76/159336976.db2.gz ASLJHPMPWOAIAI-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000245902030 160256473 /nfs/dbraw/zinc/25/64/73/160256473.db2.gz QBUKHZYMTFKUNI-HZPDHXFCSA-N 2 0 347.434 2.254 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246133292 160263741 /nfs/dbraw/zinc/26/37/41/160263741.db2.gz JANZPXLQEUHDRE-FGTMMUONSA-N 2 0 334.508 2.010 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000246564765 160285177 /nfs/dbraw/zinc/28/51/77/160285177.db2.gz UPGXJMSLBMRVAI-HNAYVOBHSA-N 2 0 338.455 2.181 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000352809338 162296057 /nfs/dbraw/zinc/29/60/57/162296057.db2.gz BFKOUQDPLFDYMD-UHFFFAOYSA-N 2 0 341.503 2.203 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000354979325 163039618 /nfs/dbraw/zinc/03/96/18/163039618.db2.gz LEPPGVRKGLAKSO-NZSAHSFTSA-N 2 0 344.503 2.385 10 0 EEAERP O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000365811448 165611276 /nfs/dbraw/zinc/61/12/76/165611276.db2.gz BQTRCKYHFNHCAK-UHFFFAOYSA-N 2 0 348.535 2.378 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000278434963 269231465 /nfs/dbraw/zinc/23/14/65/269231465.db2.gz JUMGXACFBUGGRX-QUCCMNQESA-N 2 0 343.515 2.351 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000194179680 274067785 /nfs/dbraw/zinc/06/77/85/274067785.db2.gz KMVJXZCFHOEBRR-GOSISDBHSA-N 2 0 332.492 2.244 10 0 EEAERP C[C@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000291704893 275332031 /nfs/dbraw/zinc/33/20/31/275332031.db2.gz FTYZCGAPJUWNGD-CAMMJAKZSA-N 2 0 329.488 2.496 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000245645926 277166697 /nfs/dbraw/zinc/16/66/97/277166697.db2.gz LNYCYUWIUOKVBL-OALUTQOASA-N 2 0 344.503 2.463 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154673403 289367289 /nfs/dbraw/zinc/36/72/89/289367289.db2.gz OSTPFKIXQCZDSU-CEXWTWQISA-N 2 0 329.488 2.102 10 0 EEAERP C[NH+]1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H]1c1ccccc1 ZINC000489937532 290248799 /nfs/dbraw/zinc/24/87/99/290248799.db2.gz ZJCLGBCAFMVDKB-HBFSDRIKSA-N 2 0 342.487 2.169 10 0 EEAERP CCn1ccnc1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000297554023 294278496 /nfs/dbraw/zinc/27/84/96/294278496.db2.gz VMFGSEGCNGLPRY-OAHLLOKOSA-N 2 0 341.459 2.149 10 0 EEAERP Cc1nn(C)cc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000177982918 302801223 /nfs/dbraw/zinc/80/12/23/302801223.db2.gz UTHATWAFWDXMIL-INIZCTEOSA-N 2 0 333.524 2.329 10 0 EEAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000171043026 311399995 /nfs/dbraw/zinc/39/99/95/311399995.db2.gz LGPWPSXSYWFBJU-MRXNPFEDSA-N 2 0 326.529 2.479 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333479641 312153947 /nfs/dbraw/zinc/15/39/47/312153947.db2.gz FJUUVPYXXPMPQS-ORPJZTTNSA-N 2 0 348.535 2.266 10 0 EEAERP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1O2 ZINC000333737505 312190108 /nfs/dbraw/zinc/19/01/08/312190108.db2.gz VFBIMEKEAHSNMA-APWZRJJASA-N 2 0 343.471 2.233 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000416432123 313221939 /nfs/dbraw/zinc/22/19/39/313221939.db2.gz JJZJKJMDQYDKFA-LSDHHAIUSA-N 2 0 332.473 2.350 10 0 EEAERP [NH3+][C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416811833 313322865 /nfs/dbraw/zinc/32/28/65/313322865.db2.gz DCARQVJYYFLQJJ-DLBZAZTESA-N 2 0 342.443 2.416 10 0 EEAERP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000416816418 313323993 /nfs/dbraw/zinc/32/39/93/313323993.db2.gz PBNSZFPYQOCJGU-DAYGRLMNSA-N 2 0 348.491 2.257 10 0 EEAERP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416840888 313331558 /nfs/dbraw/zinc/33/15/58/313331558.db2.gz LKYDDRKBWMLFJE-UJJTZGENSA-N 2 0 348.466 2.353 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000416843818 313332895 /nfs/dbraw/zinc/33/28/95/313332895.db2.gz PJSSMLQMWURXBI-OALUTQOASA-N 2 0 340.471 2.159 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000416973004 313377965 /nfs/dbraw/zinc/37/79/65/313377965.db2.gz TWKIVLCXODUKSE-OAGGEKHMSA-N 2 0 332.492 2.453 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000418680804 313879158 /nfs/dbraw/zinc/87/91/58/313879158.db2.gz UZUXKZAWTKONIU-IEBWSBKVSA-N 2 0 330.476 2.252 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442182214 315195917 /nfs/dbraw/zinc/19/59/17/315195917.db2.gz OYRFDVUQSXKWOS-UHFFFAOYSA-N 2 0 329.554 2.298 10 0 EEAERP C[C@H](Cc1ccoc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000449216461 315434161 /nfs/dbraw/zinc/43/41/61/315434161.db2.gz SMIPPBDYXUNKMY-APWZRJJASA-N 2 0 343.471 2.089 10 0 EEAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502748787 316352343 /nfs/dbraw/zinc/35/23/43/316352343.db2.gz KVZBXWIECIFVJX-GBESFXJTSA-N 2 0 349.519 2.105 10 0 EEAERP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000525991468 317102120 /nfs/dbraw/zinc/10/21/20/317102120.db2.gz OJVRCWSMDOVHCI-UKPHBRMFSA-N 2 0 330.476 2.381 10 0 EEAERP Cc1cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccn1 ZINC000527671512 317241536 /nfs/dbraw/zinc/24/15/36/317241536.db2.gz SYWOXWQYNKYDDS-UHFFFAOYSA-N 2 0 332.492 2.106 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000527896687 317283175 /nfs/dbraw/zinc/28/31/75/317283175.db2.gz SPVAPKDQVHYBGQ-IIIMJFFVSA-N 2 0 334.508 2.319 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000528457215 317391977 /nfs/dbraw/zinc/39/19/77/317391977.db2.gz PDUYHXLTUCZZQM-NEWSRXKRSA-N 2 0 332.488 2.153 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000528682786 317447014 /nfs/dbraw/zinc/44/70/14/317447014.db2.gz SNEPQIRRUCTBHI-QGZVFWFLSA-N 2 0 346.475 2.423 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1cccc(F)c1 ZINC000568149165 319456407 /nfs/dbraw/zinc/45/64/07/319456407.db2.gz CCTNEGHBRLZHJW-SFHVURJKSA-N 2 0 329.419 2.360 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000576372134 320166785 /nfs/dbraw/zinc/16/67/85/320166785.db2.gz GAMIHGAHULJHNF-PBHICJAKSA-N 2 0 336.505 2.136 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000578333330 320308433 /nfs/dbraw/zinc/30/84/33/320308433.db2.gz HIVZRUBVXDMIMA-MJGOQNOKSA-N 2 0 341.430 2.284 10 0 EEAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382998314 323526754 /nfs/dbraw/zinc/52/67/54/323526754.db2.gz ZIDMGCOQABTCGK-CVEARBPZSA-N 2 0 343.512 2.190 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000582121211 324384474 /nfs/dbraw/zinc/38/44/74/324384474.db2.gz YRFPYYJVROQJAI-KDOFPFPSSA-N 2 0 333.476 2.116 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000337316591 465301997 /nfs/dbraw/zinc/30/19/97/465301997.db2.gz DLXPJNQASUMJIO-MRXNPFEDSA-N 2 0 326.529 2.480 10 0 EEAERP C[N@H+](C[C@@H](O)CNC1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000351711753 465309175 /nfs/dbraw/zinc/30/91/75/465309175.db2.gz JJGDHSLFNRKOHG-KRWDZBQOSA-N 2 0 338.879 2.390 10 0 EEAERP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H]1CCCCO1 ZINC000114456786 462649597 /nfs/dbraw/zinc/64/95/97/462649597.db2.gz JEZVWTLYXXUFEF-GOSISDBHSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000065521326 462787951 /nfs/dbraw/zinc/78/79/51/462787951.db2.gz SHHZOGBEEICXTK-BPQIPLTHSA-N 2 0 330.476 2.215 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(N3CCCC3)nc2)CC1 ZINC000121106028 463079899 /nfs/dbraw/zinc/07/98/99/463079899.db2.gz VAEVKYNDQRKCBT-KRWDZBQOSA-N 2 0 346.519 2.206 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000123614624 463355529 /nfs/dbraw/zinc/35/55/29/463355529.db2.gz ZJCRUJUHOCVITI-SFHVURJKSA-N 2 0 338.540 2.386 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CCCCC1 ZINC000105126375 463440314 /nfs/dbraw/zinc/44/03/14/463440314.db2.gz XDQPBHZBHAWENF-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000057205236 463465855 /nfs/dbraw/zinc/46/58/55/463465855.db2.gz FELMZCCRZFTONR-LJQANCHMSA-N 2 0 346.519 2.331 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1 ZINC000072996518 463572983 /nfs/dbraw/zinc/57/29/83/463572983.db2.gz AKEXUUQAHCESSZ-GOSISDBHSA-N 2 0 330.476 2.063 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000073013143 463575445 /nfs/dbraw/zinc/57/54/45/463575445.db2.gz PPHPKQPXPBVGRA-MRXNPFEDSA-N 2 0 342.487 2.207 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000170834946 463718435 /nfs/dbraw/zinc/71/84/35/463718435.db2.gz VQPJVABOAVDAQD-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000579562762 468375915 /nfs/dbraw/zinc/37/59/15/468375915.db2.gz AAYXBXGFGNIICT-HNNXBMFYSA-N 2 0 333.480 2.165 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000171192917 463808770 /nfs/dbraw/zinc/80/87/70/463808770.db2.gz QFXISJVHZNEAMU-OALUTQOASA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261646599 463814753 /nfs/dbraw/zinc/81/47/53/463814753.db2.gz AATCRYHNCXXJQQ-OAHLLOKOSA-N 2 0 331.460 2.365 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261727277 463840350 /nfs/dbraw/zinc/84/03/50/463840350.db2.gz GRXMTJRMRJOTOA-HIFRSBDPSA-N 2 0 335.414 2.109 10 0 EEAERP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)nc21 ZINC000261875710 463885397 /nfs/dbraw/zinc/88/53/97/463885397.db2.gz DPZGVVXWCZXSKJ-ARFHVFGLSA-N 2 0 329.444 2.425 10 0 EEAERP C[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000568847616 468395662 /nfs/dbraw/zinc/39/56/62/468395662.db2.gz AHOLBGOSNBOGPU-MAUKXSAKSA-N 2 0 329.488 2.347 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000281146613 464350567 /nfs/dbraw/zinc/35/05/67/464350567.db2.gz GIKQQMVHUOFJSM-KDOFPFPSSA-N 2 0 335.467 2.295 10 0 EEAERP O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)C1CC[NH2+]CC1 ZINC000237772852 464377142 /nfs/dbraw/zinc/37/71/42/464377142.db2.gz AODDYZBOVUSKAY-AWEZNQCLSA-N 2 0 337.414 2.045 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1F ZINC000174988302 464476240 /nfs/dbraw/zinc/47/62/40/464476240.db2.gz VTEPLCJPHAWCIE-QGZVFWFLSA-N 2 0 346.450 2.043 10 0 EEAERP Cn1cc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272419449 464602963 /nfs/dbraw/zinc/60/29/63/464602963.db2.gz NDXDZGZXPBCRJZ-HAGHYFMRSA-N 2 0 340.471 2.239 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272443219 464611731 /nfs/dbraw/zinc/61/17/31/464611731.db2.gz UIYSWVHSHZGSLU-ACDBMABISA-N 3 0 343.515 2.228 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000175954258 464667315 /nfs/dbraw/zinc/66/73/15/464667315.db2.gz TXKPIUBRMLEZSG-UHFFFAOYSA-N 2 0 348.466 2.137 10 0 EEAERP Cc1ccc(O)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000356951472 465653385 /nfs/dbraw/zinc/65/33/85/465653385.db2.gz YRKNIWCSNVKJSO-UHFFFAOYSA-N 2 0 333.476 2.420 10 0 EEAERP C[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353521801 465950061 /nfs/dbraw/zinc/95/00/61/465950061.db2.gz SQGCPYSIVJKRPE-IVAOSVALSA-N 2 0 343.515 2.086 10 0 EEAERP CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000338536231 466204372 /nfs/dbraw/zinc/20/43/72/466204372.db2.gz MDSNSULRWVUDAX-LJQANCHMSA-N 2 0 327.472 2.449 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000357843400 466259151 /nfs/dbraw/zinc/25/91/51/466259151.db2.gz BZPSKXOWHLEGMS-XUWXXGDYSA-N 2 0 326.431 2.436 10 0 EEAERP CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000338761688 466362855 /nfs/dbraw/zinc/36/28/55/466362855.db2.gz JGCDDFWUHKTROS-OALUTQOASA-N 2 0 344.503 2.217 10 0 EEAERP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597239849 468492398 /nfs/dbraw/zinc/49/23/98/468492398.db2.gz MKODMYSBQSVMIX-AEFFLSMTSA-N 2 0 328.416 2.479 10 0 EEAERP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC2 ZINC000347191473 466465012 /nfs/dbraw/zinc/46/50/12/466465012.db2.gz HKUKPUXHPZENOX-OALUTQOASA-N 2 0 347.503 2.365 10 0 EEAERP Cc1cnn(CCCCC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000363639369 466524833 /nfs/dbraw/zinc/52/48/33/466524833.db2.gz OFMAHSSTMWQCBW-HXUWFJFHSA-N 2 0 347.551 2.464 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791515 466682561 /nfs/dbraw/zinc/68/25/61/466682561.db2.gz YPVFKTYFLWFJPK-UKRRQHHQSA-N 2 0 339.867 2.179 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423390327 466736591 /nfs/dbraw/zinc/73/65/91/466736591.db2.gz KAHSZHOIHBWUMJ-XEZPLFJOSA-N 2 0 325.478 2.097 10 0 EEAERP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423517688 466764438 /nfs/dbraw/zinc/76/44/38/466764438.db2.gz YMQGOCBXJSOCFC-BMHOQUIDSA-N 2 0 345.535 2.252 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417050255 466765460 /nfs/dbraw/zinc/76/54/60/466765460.db2.gz WNYWCHDHAOGPCO-HRBLRVMOSA-N 2 0 336.524 2.423 10 0 EEAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1CNCCO1 ZINC000423577085 466777094 /nfs/dbraw/zinc/77/70/94/466777094.db2.gz RVFGBSQHUWFIPU-TVQRCGJNSA-N 2 0 329.213 2.154 10 0 EEAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417194647 466799271 /nfs/dbraw/zinc/79/92/71/466799271.db2.gz NCVJIJJYGNXHGQ-MSOLQXFVSA-N 2 0 334.508 2.174 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417584325 466888131 /nfs/dbraw/zinc/88/81/31/466888131.db2.gz MQYMVEJOCBESFN-IKGGRYGDSA-N 2 0 336.524 2.280 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H]1c1cccs1 ZINC000417737753 466920122 /nfs/dbraw/zinc/92/01/22/466920122.db2.gz OFDGMZIWUPFDIT-AIANPOQGSA-N 2 0 348.516 2.134 10 0 EEAERP C[C@H](CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417817023 466943491 /nfs/dbraw/zinc/94/34/91/466943491.db2.gz QYZXHQJHYOCHQH-APWZRJJASA-N 2 0 344.503 2.433 10 0 EEAERP CCC1(CNC(=O)NCC2C[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417930000 466990263 /nfs/dbraw/zinc/99/02/63/466990263.db2.gz TZLNRSFHZXVJFF-UHFFFAOYSA-N 2 0 344.503 2.197 10 0 EEAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000424272072 467019454 /nfs/dbraw/zinc/01/94/54/467019454.db2.gz SYGCYFMLKAHUKJ-MKQMEDFFSA-N 2 0 344.503 2.127 10 0 EEAERP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374198104 467031893 /nfs/dbraw/zinc/03/18/93/467031893.db2.gz HEBCBFQSAPVEOA-CYBMUJFWSA-N 2 0 330.407 2.433 10 0 EEAERP C[C@H](CCC[NH3+])NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418047666 467032601 /nfs/dbraw/zinc/03/26/01/467032601.db2.gz UEUIINHJWITDFJ-VQIMIIECSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@]1(CNC(=O)NC[C@H]([NH3+])C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048849 467034497 /nfs/dbraw/zinc/03/44/97/467034497.db2.gz WUVSZUXTZOXDKL-HKUYNNGSSA-N 2 0 330.476 2.078 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418102109 467045392 /nfs/dbraw/zinc/04/53/92/467045392.db2.gz GYRYWXZVNCZVDX-HKUYNNGSSA-N 2 0 342.487 2.044 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418148214 467058775 /nfs/dbraw/zinc/05/87/75/467058775.db2.gz REJISHLSSLCIHU-MNEFBYGVSA-N 2 0 344.503 2.194 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615135 467136203 /nfs/dbraw/zinc/13/62/03/467136203.db2.gz GTOXFSDZNLMTAD-BPQIPLTHSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[C@H](C)[NH3+] ZINC000418687784 467145998 /nfs/dbraw/zinc/14/59/98/467145998.db2.gz AJYXYHIIWHHZGH-DLBZAZTESA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418697668 467147790 /nfs/dbraw/zinc/14/77/90/467147790.db2.gz MEBCAYRQXDYKSR-SJORKVTESA-N 2 0 332.492 2.072 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450902995 467202130 /nfs/dbraw/zinc/20/21/30/467202130.db2.gz YPYRPKYOBHRINC-VQIMIIECSA-N 2 0 341.455 2.377 10 0 EEAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414298916 467399674 /nfs/dbraw/zinc/39/96/74/467399674.db2.gz HOCWCJCAXHRFQU-GOSISDBHSA-N 2 0 342.487 2.488 10 0 EEAERP C[C@]1(CNC(=O)NCC[NH+]2CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000430234730 467410735 /nfs/dbraw/zinc/41/07/35/467410735.db2.gz BRQMSUWPPIOUOE-LJQANCHMSA-N 2 0 330.476 2.046 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398087022 467447408 /nfs/dbraw/zinc/44/74/08/467447408.db2.gz UPXIWPXLUDAGKC-NEWSRXKRSA-N 2 0 329.488 2.403 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414943738 467455821 /nfs/dbraw/zinc/45/58/21/467455821.db2.gz OKVNDQCWKJGAOY-MJGOQNOKSA-N 3 0 330.520 2.306 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000414964751 467457988 /nfs/dbraw/zinc/45/79/88/467457988.db2.gz CCHPXAOCHWDIKR-GDBMZVCRSA-N 2 0 329.410 2.291 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415065740 467479759 /nfs/dbraw/zinc/47/97/59/467479759.db2.gz HNGGZTHTOUJVSL-KBPBESRZSA-N 2 0 336.505 2.135 10 0 EEAERP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000415116929 467493932 /nfs/dbraw/zinc/49/39/32/467493932.db2.gz ILCUNQGLUNMNEL-MRXNPFEDSA-N 2 0 334.460 2.427 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415203190 467518156 /nfs/dbraw/zinc/51/81/56/467518156.db2.gz KLTVYIBLQABJEL-HOCLYGCPSA-N 2 0 334.464 2.055 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457074847 467745653 /nfs/dbraw/zinc/74/56/53/467745653.db2.gz LZQUVNWDNIASGX-UHFFFAOYSA-N 2 0 333.476 2.231 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000529322007 467845752 /nfs/dbraw/zinc/84/57/52/467845752.db2.gz JZVIFVPHJKLWCE-ZOBUZTSGSA-N 2 0 334.508 2.223 10 0 EEAERP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+](C2CC2)C1 ZINC000458569559 467859199 /nfs/dbraw/zinc/85/91/99/467859199.db2.gz KWRXMKJDVOOIQS-KLAILNCOSA-N 2 0 336.524 2.233 10 0 EEAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000529643190 467890768 /nfs/dbraw/zinc/89/07/68/467890768.db2.gz WMAVWGGUHAJTPO-MRXNPFEDSA-N 2 0 341.455 2.279 10 0 EEAERP O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242414 467967642 /nfs/dbraw/zinc/96/76/42/467967642.db2.gz UPKYSDPQKMWEOV-PKOBYXMFSA-N 2 0 343.471 2.030 10 0 EEAERP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000515166545 467976703 /nfs/dbraw/zinc/97/67/03/467976703.db2.gz UHFOMCHBLSHIOV-SFHVURJKSA-N 2 0 325.412 2.481 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749678 468044925 /nfs/dbraw/zinc/04/49/25/468044925.db2.gz IXFPNUVIZKLIRB-ATLSCFEFSA-N 2 0 330.476 2.119 10 0 EEAERP CCC(CC)[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000519193608 468147876 /nfs/dbraw/zinc/14/78/76/468147876.db2.gz NJHBLDDFJDOGCT-GOSISDBHSA-N 2 0 339.524 2.112 10 0 EEAERP CSC1(C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC[NH+](C)CC1 ZINC000594940399 468727874 /nfs/dbraw/zinc/72/78/74/468727874.db2.gz BNMUULXIBCLMNP-UHFFFAOYSA-N 2 0 336.427 2.356 10 0 EEAERP C[C@H](CSCCF)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595075294 468752974 /nfs/dbraw/zinc/75/29/74/468752974.db2.gz YEOUQHQQHMVWOI-RHSMWYFYSA-N 2 0 326.481 2.434 10 0 EEAERP C[C@H]([NH2+]CCc1ccc(I)cc1)C1C[NH2+]C1 ZINC000596655372 469323530 /nfs/dbraw/zinc/32/35/30/469323530.db2.gz WAQIRKVBUYFJHR-JTQLQIEISA-N 2 0 330.213 2.031 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000629568359 469582307 /nfs/dbraw/zinc/58/23/07/469582307.db2.gz JTAGXNQGKGUCRN-UONOGXRCSA-N 2 0 341.883 2.074 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000626929128 469757798 /nfs/dbraw/zinc/75/77/98/469757798.db2.gz GZMJJRMGLFGSJS-IRXDYDNUSA-N 2 0 336.524 2.471 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627008389 469788056 /nfs/dbraw/zinc/78/80/56/469788056.db2.gz BCODBUBGNMJTNS-AHRSYUTCSA-N 2 0 344.503 2.148 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627073753 469807144 /nfs/dbraw/zinc/80/71/44/469807144.db2.gz CEYPEFXADYGTKY-FZMZJTMJSA-N 2 0 345.274 2.257 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627134332 469821046 /nfs/dbraw/zinc/82/10/46/469821046.db2.gz YLUFISRLIVXIGB-QGZVFWFLSA-N 2 0 348.466 2.184 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000627169556 469833097 /nfs/dbraw/zinc/83/30/97/469833097.db2.gz YZWMHKIAVLIIIB-DLBZAZTESA-N 2 0 336.455 2.039 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCc2nc[nH]c2C1 ZINC000614376729 469923952 /nfs/dbraw/zinc/92/39/52/469923952.db2.gz KEBIWAMEQYSNQY-HOCLYGCPSA-N 2 0 330.476 2.428 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(CCN3CCOCC3)cc2)CC[N@@H+]1C ZINC000630798036 469996089 /nfs/dbraw/zinc/99/60/89/469996089.db2.gz IZCLOGAOTNXHMC-RBUKOAKNSA-N 2 0 345.487 2.230 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000624783954 470021045 /nfs/dbraw/zinc/02/10/45/470021045.db2.gz CDPUCMPGTHHHPQ-PKOBYXMFSA-N 2 0 348.535 2.425 10 0 EEAERP Cc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)on1 ZINC000631041065 470054386 /nfs/dbraw/zinc/05/43/86/470054386.db2.gz WXRIEBJIYRYZDI-LJQANCHMSA-N 2 0 328.460 2.451 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000621508607 470058836 /nfs/dbraw/zinc/05/88/36/470058836.db2.gz IZZUCZMVGBJWOM-HNNXBMFYSA-N 2 0 348.482 2.335 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621550031 470066770 /nfs/dbraw/zinc/06/67/70/470066770.db2.gz BRJZGHZLQNVKNG-CABCVRRESA-N 2 0 346.466 2.089 10 0 EEAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044835 470153530 /nfs/dbraw/zinc/15/35/30/470153530.db2.gz UTFSKLWQEVSMFB-CABCVRRESA-N 2 0 341.455 2.433 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000625540100 470162604 /nfs/dbraw/zinc/16/26/04/470162604.db2.gz DVTGCOJHIYHANB-INIZCTEOSA-N 2 0 341.540 2.312 10 0 EEAERP Cn1c2cc(CN(CCC[NH3+])Cc3ccccc3)ccc2oc1=O ZINC000631825162 470185899 /nfs/dbraw/zinc/18/58/99/470185899.db2.gz AVZZPSLNFUJGHJ-UHFFFAOYSA-N 2 0 325.412 2.483 10 0 EEAERP C[C@@](O)(C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000634644169 470273970 /nfs/dbraw/zinc/27/39/70/470273970.db2.gz PMUROLDUTWAMSV-NHCUHLMSSA-N 2 0 346.515 2.400 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634649182 470274825 /nfs/dbraw/zinc/27/48/25/470274825.db2.gz ILAOJWSLVKGVGL-AZUAARDMSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638835034 470298847 /nfs/dbraw/zinc/29/88/47/470298847.db2.gz JUVGIEHLLCENSH-OGWHTMIXSA-N 2 0 329.488 2.259 10 0 EEAERP [NH3+]CC1(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000650712862 470947820 /nfs/dbraw/zinc/94/78/20/470947820.db2.gz YEBXJIOMLRNITA-UHFFFAOYSA-N 2 0 341.249 2.439 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CN(C)Cc2ccccc2)CC1 ZINC000644533182 470975684 /nfs/dbraw/zinc/97/56/84/470975684.db2.gz CZNHXTDLGZISPR-FQEVSTJZSA-N 2 0 333.520 2.191 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000654659021 471117438 /nfs/dbraw/zinc/11/74/38/471117438.db2.gz ZEBAOYJGZMYPCQ-IYBDPMFKSA-N 2 0 336.480 2.001 10 0 EEAERP CN(C)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2C1 ZINC000657375432 471118018 /nfs/dbraw/zinc/11/80/18/471118018.db2.gz YUXDUEHGZKZIKD-UHFFFAOYSA-N 2 0 347.466 2.456 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000654663000 471120226 /nfs/dbraw/zinc/12/02/26/471120226.db2.gz BPKNCVJYYBLFAF-XKQJLSEDSA-N 2 0 336.455 2.068 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@]12CCCO2 ZINC000657434949 471136372 /nfs/dbraw/zinc/13/63/72/471136372.db2.gz MHYJQVLSJLQJDL-KZNAEPCWSA-N 2 0 328.416 2.084 10 0 EEAERP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104245 471138114 /nfs/dbraw/zinc/13/81/14/471138114.db2.gz KHOCCIRFCDRJGK-NVXWUHKLSA-N 2 0 330.476 2.017 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000657596864 471180165 /nfs/dbraw/zinc/18/01/65/471180165.db2.gz PCHFBCAGLHOZQS-MOPGFXCFSA-N 2 0 330.472 2.445 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000654827448 471194648 /nfs/dbraw/zinc/19/46/48/471194648.db2.gz FIPUMUDXUPIJOW-QRQLOZEOSA-N 2 0 329.488 2.450 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cn2)CC1 ZINC000657838755 471239490 /nfs/dbraw/zinc/23/94/90/471239490.db2.gz GFSUCNMFODTBMP-KRWDZBQOSA-N 2 0 330.476 2.025 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657969616 471254015 /nfs/dbraw/zinc/25/40/15/471254015.db2.gz SFOMALQVIWDUDG-OALUTQOASA-N 2 0 330.472 2.445 10 0 EEAERP OC1(C[NH2+][C@@H]2COC3(CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000658035229 471261529 /nfs/dbraw/zinc/26/15/29/471261529.db2.gz OGZHUUCVMLHXLT-SFHVURJKSA-N 2 0 330.472 2.315 10 0 EEAERP CC(C)[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070862 471264229 /nfs/dbraw/zinc/26/42/29/471264229.db2.gz SMQKWLKSNYFYGB-IBGZPJMESA-N 2 0 334.508 2.388 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000658108218 471266282 /nfs/dbraw/zinc/26/62/82/471266282.db2.gz PXLJGVWMQQFGHF-OKZBNKHCSA-N 2 0 335.540 2.308 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nc(-c4ccoc4)no3)C2)C1 ZINC000652348937 471276051 /nfs/dbraw/zinc/27/60/51/471276051.db2.gz WKMIRVHNKNECPL-YUELXQCFSA-N 2 0 332.404 2.048 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000663506125 471403867 /nfs/dbraw/zinc/40/38/67/471403867.db2.gz QDUPWKNTWUDVCY-OAHLLOKOSA-N 2 0 335.467 2.337 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000663507133 471404854 /nfs/dbraw/zinc/40/48/54/471404854.db2.gz YBEJCBIYBOUPMA-OAHLLOKOSA-N 2 0 335.467 2.337 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660734042 471464519 /nfs/dbraw/zinc/46/45/19/471464519.db2.gz GBXCPOFXCKXUSG-KRWDZBQOSA-N 2 0 347.507 2.460 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000655805769 471489349 /nfs/dbraw/zinc/48/93/49/471489349.db2.gz RZPAHQDAAAPQEV-RAUXBKROSA-N 2 0 331.504 2.378 10 0 EEAERP CCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663784848 471517822 /nfs/dbraw/zinc/51/78/22/471517822.db2.gz XGLNZGYELAKEST-BRWVUGGUSA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659269721 471560145 /nfs/dbraw/zinc/56/01/45/471560145.db2.gz NSWOZBFWTXCUKT-UHOSZYNNSA-N 2 0 347.503 2.250 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000659286205 471567130 /nfs/dbraw/zinc/56/71/30/471567130.db2.gz BXQQCOLQZGSDBP-OGWHTMIXSA-N 2 0 347.503 2.012 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000669589038 471570423 /nfs/dbraw/zinc/57/04/23/471570423.db2.gz CQZOSQKNBXSGHP-QWNKOJSDSA-N 2 0 330.476 2.103 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659489723 471653101 /nfs/dbraw/zinc/65/31/01/471653101.db2.gz KFDDVINDHCSURV-LMDPOFIKSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656269386 471661807 /nfs/dbraw/zinc/66/18/07/471661807.db2.gz PSTXDUDOQZHEPX-YESZJQIVSA-N 2 0 332.492 2.138 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000670113611 471678848 /nfs/dbraw/zinc/67/88/48/471678848.db2.gz FVOHPWUIWJQRAH-CVEARBPZSA-N 2 0 338.883 2.336 10 0 EEAERP C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)c1nccn1C ZINC000667248258 471708349 /nfs/dbraw/zinc/70/83/49/471708349.db2.gz UUWSCVARSWOJDF-OAHLLOKOSA-N 2 0 327.432 2.009 10 0 EEAERP C[C@@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835856 471875258 /nfs/dbraw/zinc/87/52/58/471875258.db2.gz MDWKPEOPHJVPQB-MAUKXSAKSA-N 2 0 329.488 2.483 10 0 EEAERP C[C@@H](NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000665273070 471987311 /nfs/dbraw/zinc/98/73/11/471987311.db2.gz PQYPGUICCUPZOB-IEBWSBKVSA-N 2 0 328.504 2.071 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000668330680 472088038 /nfs/dbraw/zinc/08/80/38/472088038.db2.gz XERJMZVVNIMCQB-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)on1 ZINC000662747066 472232210 /nfs/dbraw/zinc/23/22/10/472232210.db2.gz QZZMJFOGCVFASB-UHFFFAOYSA-N 2 0 334.464 2.395 10 0 EEAERP Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000679086330 485585531 /nfs/dbraw/zinc/58/55/31/485585531.db2.gz JMJJTVOXSDKPES-WMZOPIPTSA-N 2 0 334.508 2.442 10 0 EEAERP CCCn1nccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397520816 485673800 /nfs/dbraw/zinc/67/38/00/485673800.db2.gz VKTUSFDIMIVVOR-UHFFFAOYSA-N 2 0 342.487 2.410 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684953800 486046013 /nfs/dbraw/zinc/04/60/13/486046013.db2.gz LYPOHTLPZZVRNA-QGZVFWFLSA-N 2 0 335.467 2.437 10 0 EEAERP C[C@@H]1C[C@H](Nc2nccnc2N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000680958761 486099071 /nfs/dbraw/zinc/09/90/71/486099071.db2.gz JLSORZRDTPSPQP-KLHDSHLOSA-N 2 0 332.496 2.266 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N1CC[NH+](C(C)(C)C)CC1 ZINC000051519012 536469112 /nfs/dbraw/zinc/46/91/12/536469112.db2.gz UBKXVQZCJBOKBV-UHFFFAOYSA-N 2 0 341.297 2.484 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000415910832 528353718 /nfs/dbraw/zinc/35/37/18/528353718.db2.gz CGVIXHVSGCYHIQ-CVEARBPZSA-N 2 0 336.505 2.305 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000451353309 535198658 /nfs/dbraw/zinc/19/86/58/535198658.db2.gz NVBFLTOBQIYROR-VAMGGRTRSA-N 2 0 337.552 2.418 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264075169 535665460 /nfs/dbraw/zinc/66/54/60/535665460.db2.gz HCRRKAKTBWEOMX-IBGZPJMESA-N 2 0 347.503 2.298 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000764464559 577736782 /nfs/dbraw/zinc/73/67/82/577736782.db2.gz DKMDFIPAYKJULK-CEWLAPEOSA-N 2 0 345.531 2.295 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COCc3ccccc3Cl)C2)C1 ZINC000292264816 679740548 /nfs/dbraw/zinc/74/05/48/679740548.db2.gz YYUPPGJLSMUVNF-WMZOPIPTSA-N 2 0 338.879 2.245 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnn(C2CCC2)c1 ZINC000925041635 682665935 /nfs/dbraw/zinc/66/59/35/682665935.db2.gz QAGGLQLJLQQNNV-DOTOQJQBSA-N 2 0 331.508 2.427 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CO1 ZINC000895085072 683803165 /nfs/dbraw/zinc/80/31/65/683803165.db2.gz UWFQNAHHISZXHT-MFKMUULPSA-N 2 0 328.359 2.337 10 0 EEAERP CNC(=O)N1C[C@H](C[NH+](C)C)[C@@H](C2CC[NH+](CCC(C)C)CC2)C1 ZINC000257195341 684166575 /nfs/dbraw/zinc/16/65/75/684166575.db2.gz VXELFTPCCWCJHF-ZWKOTPCHSA-N 2 0 338.540 2.194 10 0 EEAERP C([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nnc(C2CC2)s1 ZINC000895307230 684477715 /nfs/dbraw/zinc/47/77/15/684477715.db2.gz BCBBKCCSDMYLTK-UHFFFAOYSA-N 2 0 336.505 2.396 10 0 EEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000925692142 684948991 /nfs/dbraw/zinc/94/89/91/684948991.db2.gz PUNRPDIAPMMGNU-VCWRXUFXSA-N 3 0 343.515 2.119 10 0 EEAERP c1cc(N2CCC([NH2+][C@H]3CCCN4CCSC[C@H]34)CC2)cc[nH+]1 ZINC000896432466 684976242 /nfs/dbraw/zinc/97/62/42/684976242.db2.gz OXOPNEUQWDXCBN-ZWKOTPCHSA-N 2 0 332.517 2.220 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCS1 ZINC000927254824 693968733 /nfs/dbraw/zinc/96/87/33/693968733.db2.gz BNHLOBYBBWKXMN-HZPDHXFCSA-N 2 0 344.569 2.186 10 0 EEAERP C[C@@H]1CC2(CC([NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)C2)CO1 ZINC000924723255 693281099 /nfs/dbraw/zinc/28/10/99/693281099.db2.gz QIDWIZALMZRGTR-MDMXATFFSA-N 2 0 343.515 2.481 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000905294220 694589190 /nfs/dbraw/zinc/58/91/90/694589190.db2.gz RNBSVEHFZOMQDG-CHWSQXEVSA-N 2 0 330.354 2.102 10 0 EEAERP Cc1ccc(CCC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001485615287 1191862969 /nfs/dbraw/zinc/86/29/69/1191862969.db2.gz ZQODBCMDAYMJML-OWZKRDHZSA-N 2 0 343.515 2.173 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001485706220 1191899647 /nfs/dbraw/zinc/89/96/47/1191899647.db2.gz CWQLKPHYDZEHNU-SHTZXODSSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC001485728321 1191919926 /nfs/dbraw/zinc/91/99/26/1191919926.db2.gz XSVCFKDUHGFMEZ-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ccccc1C[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001485774713 1191946287 /nfs/dbraw/zinc/94/62/87/1191946287.db2.gz WYUPRRJKAHRLGB-LJQANCHMSA-N 2 0 347.503 2.044 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccnc1 ZINC001485785441 1191951879 /nfs/dbraw/zinc/95/18/79/1191951879.db2.gz CRKCATMSHYGGBV-KBAYOESNSA-N 2 0 332.492 2.042 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001670456749 1176798421 /nfs/dbraw/zinc/79/84/21/1176798421.db2.gz NKQWQPNUGQWBDO-RTBURBONSA-N 2 0 329.488 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001266706430 1177236314 /nfs/dbraw/zinc/23/63/14/1177236314.db2.gz OQTAUPCWJVEBIW-PBKBVCMISA-N 2 0 329.488 2.478 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)nc1C ZINC001266718564 1177269067 /nfs/dbraw/zinc/26/90/67/1177269067.db2.gz UWVRKUXOCLDGNW-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001266962401 1177916131 /nfs/dbraw/zinc/91/61/31/1177916131.db2.gz ZWFRYXWSJMZUBA-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH2+]CCCCCF)C1 ZINC001691378984 1177985218 /nfs/dbraw/zinc/98/52/18/1177985218.db2.gz WVZDWRYJGCMOGQ-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001267063996 1178175185 /nfs/dbraw/zinc/17/51/85/1178175185.db2.gz BKFTYWXIKUJQQL-SRNHVLPCSA-N 2 0 341.499 2.480 10 0 EEAERP COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267111277 1178267606 /nfs/dbraw/zinc/26/76/06/1178267606.db2.gz HNLKRVKJQCPLFF-QGZVFWFLSA-N 2 0 341.540 2.314 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001267167989 1178382608 /nfs/dbraw/zinc/38/26/08/1178382608.db2.gz LSGVZXFYXWKISZ-QGPMSJSTSA-N 2 0 348.491 2.184 10 0 EEAERP COc1cccc(/C=C\CC[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001480947112 1179090931 /nfs/dbraw/zinc/09/09/31/1179090931.db2.gz IPVIKBPUXUVAGL-NCRRVARUSA-N 2 0 345.487 2.098 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001267473283 1179103564 /nfs/dbraw/zinc/10/35/64/1179103564.db2.gz ICXAQHBXRRJYJZ-UHFFFAOYSA-N 2 0 338.521 2.184 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267592035 1179580221 /nfs/dbraw/zinc/58/02/21/1179580221.db2.gz MKUJLZAXDQJSBQ-SFHVURJKSA-N 2 0 347.503 2.179 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481302374 1180963060 /nfs/dbraw/zinc/96/30/60/1180963060.db2.gz LOOCXJULLWOWBY-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1 ZINC001481317423 1181017625 /nfs/dbraw/zinc/01/76/25/1181017625.db2.gz DZALDNWSMQHUIP-OKILXGFUSA-N 2 0 338.883 2.156 10 0 EEAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001481400768 1181215164 /nfs/dbraw/zinc/21/51/64/1181215164.db2.gz SVMLAGYCBYPPNH-RTBURBONSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1cncc(CN2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001268114671 1181759930 /nfs/dbraw/zinc/75/99/30/1181759930.db2.gz XWHRCATXOOMTPS-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001268138751 1181797894 /nfs/dbraw/zinc/79/78/94/1181797894.db2.gz CROCPYPYAJICMG-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268179121 1181961851 /nfs/dbraw/zinc/96/18/51/1181961851.db2.gz QDUAYALNIIYEHJ-MSOLQXFVSA-N 2 0 347.503 2.234 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001268269176 1182117716 /nfs/dbraw/zinc/11/77/16/1182117716.db2.gz LMXJJURDNQNTSB-IAGOWNOFSA-N 2 0 325.472 2.145 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001268365167 1182337661 /nfs/dbraw/zinc/33/76/61/1182337661.db2.gz CGGJXVGWAKXYFP-KXBFYZLASA-N 2 0 345.487 2.021 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001268398197 1182477412 /nfs/dbraw/zinc/47/74/12/1182477412.db2.gz HVWKQCVTVVCDSM-BLLLJJGKSA-N 2 0 340.537 2.331 10 0 EEAERP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)CCCn2ccnc2)C1)C1CCC1 ZINC001481754199 1182554473 /nfs/dbraw/zinc/55/44/73/1182554473.db2.gz KDWVHQBLPPKMRS-ZWKOTPCHSA-N 2 0 348.491 2.011 10 0 EEAERP CC[C@H](CNC(=O)c1cc2c[nH]ccc-2n1)[NH2+]Cc1cncc(F)c1 ZINC001481823681 1182743009 /nfs/dbraw/zinc/74/30/09/1182743009.db2.gz JQTOQOOIDSJPFO-OAHLLOKOSA-N 2 0 341.390 2.395 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001481860772 1182825485 /nfs/dbraw/zinc/82/54/85/1182825485.db2.gz DXGBHUFZHVSUJW-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP Cn1cncc1CCC(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001482007119 1183128756 /nfs/dbraw/zinc/12/87/56/1183128756.db2.gz PMCHFTHYAAJUCG-WAPJZHGLSA-N 2 0 338.883 2.324 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482062037 1183272958 /nfs/dbraw/zinc/27/29/58/1183272958.db2.gz XVASHUWFSDGVQD-MOPGFXCFSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268746206 1183665236 /nfs/dbraw/zinc/66/52/36/1183665236.db2.gz IRNOWJYKSQJWCM-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)CCCCC(=O)NCC1CN(Cc2cccc(Cl)n2)C1 ZINC001268896590 1183799217 /nfs/dbraw/zinc/79/92/17/1183799217.db2.gz UZDGZWYUFJIPMB-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001269293226 1184144435 /nfs/dbraw/zinc/14/44/35/1184144435.db2.gz UJJZOBZGBLFYFK-MRXNPFEDSA-N 2 0 336.480 2.056 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001269509651 1184338175 /nfs/dbraw/zinc/33/81/75/1184338175.db2.gz LDQSAMDNUPROJZ-WMZOPIPTSA-N 2 0 335.467 2.194 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001269935182 1184728407 /nfs/dbraw/zinc/72/84/07/1184728407.db2.gz LUWULBJIYCHDKO-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001270559911 1185170287 /nfs/dbraw/zinc/17/02/87/1185170287.db2.gz VVWCTUQSBIAKAI-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCC(F)(F)F)C2)CCC1 ZINC001270737160 1185355755 /nfs/dbraw/zinc/35/57/55/1185355755.db2.gz GTJIWSPSBXAJMF-CQSZACIVSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCCc1cccc(F)c1 ZINC001482358624 1185506351 /nfs/dbraw/zinc/50/63/51/1185506351.db2.gz QFVPMVDRIJGYTK-CQSZACIVSA-N 2 0 346.450 2.469 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482392666 1185598249 /nfs/dbraw/zinc/59/82/49/1185598249.db2.gz XYQIZKSTDJPQHR-LNLFQRSKSA-N 2 0 346.519 2.432 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001482463339 1185936097 /nfs/dbraw/zinc/93/60/97/1185936097.db2.gz YGBCSEBWXLRFHE-GOSISDBHSA-N 2 0 332.492 2.283 10 0 EEAERP CCCCC[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001271201962 1186078110 /nfs/dbraw/zinc/07/81/10/1186078110.db2.gz YGCLNPKDWIZWFM-FQEVSTJZSA-N 2 0 347.503 2.105 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)n1 ZINC001271576836 1186319794 /nfs/dbraw/zinc/31/97/94/1186319794.db2.gz PMPPMXUYXPUSSW-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482846987 1187765876 /nfs/dbraw/zinc/76/58/76/1187765876.db2.gz NIVYSFFAZKFDBM-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482860798 1187774828 /nfs/dbraw/zinc/77/48/28/1187774828.db2.gz NFSZNMHNZGRNJM-CYBMUJFWSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001482868281 1187788368 /nfs/dbraw/zinc/78/83/68/1187788368.db2.gz RZJOTEFEKASFFW-HNNXBMFYSA-N 2 0 335.467 2.482 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001483010047 1187993209 /nfs/dbraw/zinc/99/32/09/1187993209.db2.gz YWMNTTCTDUDJRL-PPPANMTLSA-N 2 0 346.475 2.044 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C)nc1C ZINC001483015269 1188002075 /nfs/dbraw/zinc/00/20/75/1188002075.db2.gz HFRUNVYEYLMHMF-VOFKWLDRSA-N 2 0 344.503 2.335 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691620031 1188320523 /nfs/dbraw/zinc/32/05/23/1188320523.db2.gz FLYXMQXFUABUBX-ROUUACIJSA-N 2 0 341.540 2.360 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CCCC1(F)F)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496836917 1188641424 /nfs/dbraw/zinc/64/14/24/1188641424.db2.gz WDODYWCHLHTPEJ-LSDHHAIUSA-N 2 0 331.451 2.154 10 0 EEAERP CCCc1nc(CNC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001483140908 1188701497 /nfs/dbraw/zinc/70/14/97/1188701497.db2.gz PFOMQPYWOTZQBD-UKRRQHHQSA-N 2 0 338.521 2.174 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001483184035 1189055422 /nfs/dbraw/zinc/05/54/22/1189055422.db2.gz IRCMNIBVZOSDKM-VQIMIIECSA-N 2 0 331.504 2.228 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)s1 ZINC001483226691 1189472625 /nfs/dbraw/zinc/47/26/25/1189472625.db2.gz FOQLQTPKWQNACN-BLLLJJGKSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409483067 1189843803 /nfs/dbraw/zinc/84/38/03/1189843803.db2.gz YSMQERLYPYEOAZ-ZIAGYGMSSA-N 2 0 344.459 2.341 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485955641 1193648282 /nfs/dbraw/zinc/64/82/82/1193648282.db2.gz OGRMHSRJKGOJLM-AEFFLSMTSA-N 2 0 347.503 2.362 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[N@H+](C)CCc1cccs1 ZINC001409617920 1190115963 /nfs/dbraw/zinc/11/59/63/1190115963.db2.gz XSXPYXXLZNEQDF-FVQBIDKESA-N 2 0 346.500 2.264 10 0 EEAERP Cc1nc(C)c(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001409624250 1190118608 /nfs/dbraw/zinc/11/86/08/1190118608.db2.gz WOWKCLHWYUMNBB-OLZOCXBDSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001409634699 1190130181 /nfs/dbraw/zinc/13/01/81/1190130181.db2.gz UEYQEDUFBSKRNN-CQSZACIVSA-N 2 0 325.884 2.271 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC001409689576 1190191247 /nfs/dbraw/zinc/19/12/47/1190191247.db2.gz STFNEKMUJNXGAR-JSGCOSHPSA-N 2 0 341.858 2.367 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCOCC1 ZINC001483422024 1190470078 /nfs/dbraw/zinc/47/00/78/1190470078.db2.gz UDSBOBYJRRQMAE-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)co1 ZINC001483437182 1190480691 /nfs/dbraw/zinc/48/06/91/1190480691.db2.gz MMKVHDWFIDOZOH-YJBOKZPZSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001483466216 1190490098 /nfs/dbraw/zinc/49/00/98/1190490098.db2.gz BPHHNECNYKPTTO-IBGZPJMESA-N 2 0 329.488 2.275 10 0 EEAERP CO[C@@H](C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001409775938 1190509315 /nfs/dbraw/zinc/50/93/15/1190509315.db2.gz GMLBZFYVLYQBBM-ULQDDVLXSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483503430 1190516852 /nfs/dbraw/zinc/51/68/52/1190516852.db2.gz YOCCFILNXDXERV-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001483510466 1190522158 /nfs/dbraw/zinc/52/21/58/1190522158.db2.gz KWCNTEPBWUHSMN-INIZCTEOSA-N 2 0 333.476 2.290 10 0 EEAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)OC ZINC001493543108 1190527075 /nfs/dbraw/zinc/52/70/75/1190527075.db2.gz CENFEOBTYPMYIW-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1nc(C)sc1C)C1CC1)[NH+](C)C ZINC001483600263 1190580017 /nfs/dbraw/zinc/58/00/17/1190580017.db2.gz GSEMOEWCSFIPQA-HZPDHXFCSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1F)C1CC1)[NH+](C)C ZINC001483601817 1190582588 /nfs/dbraw/zinc/58/25/88/1190582588.db2.gz QNXMPKZTOPBGGX-DLBZAZTESA-N 2 0 339.430 2.289 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1cc(C)no1 ZINC001483620630 1190602622 /nfs/dbraw/zinc/60/26/22/1190602622.db2.gz AHFFUZHGMCTNLB-DOTOQJQBSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122640 1193688124 /nfs/dbraw/zinc/68/81/24/1193688124.db2.gz SXBAOBZZMWCXPN-UKRRQHHQSA-N 2 0 336.480 2.137 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1CC/C=C\c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483694282 1190769167 /nfs/dbraw/zinc/76/91/67/1190769167.db2.gz LFGKICYXTALOMU-KYLNKMBASA-N 2 0 339.483 2.376 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C)nc2C)CC1 ZINC001483737783 1190868602 /nfs/dbraw/zinc/86/86/02/1190868602.db2.gz DUAMTPRHOGZOJQ-SFHVURJKSA-N 2 0 344.503 2.311 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566089 1190881045 /nfs/dbraw/zinc/88/10/45/1190881045.db2.gz RSVFSWIWMKUKQD-IAGOWNOFSA-N 2 0 347.478 2.496 10 0 EEAERP O=C(N1CC[C@]2(CC[N@@H+](CCCCCF)C2)C1)C12CC[NH+](CC1)C2 ZINC001483846216 1191080797 /nfs/dbraw/zinc/08/07/97/1191080797.db2.gz FMXLCIHJQXSLCO-SFHVURJKSA-N 2 0 337.483 2.146 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC001483899954 1191107186 /nfs/dbraw/zinc/10/71/86/1191107186.db2.gz BVJHPKVDLOPVJY-IRXDYDNUSA-N 2 0 349.523 2.218 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001484010130 1191153551 /nfs/dbraw/zinc/15/35/51/1191153551.db2.gz VQHZHXXBUXHUSL-KSSFIOAISA-N 2 0 348.491 2.089 10 0 EEAERP COCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484022328 1191160519 /nfs/dbraw/zinc/16/05/19/1191160519.db2.gz KKUJTHTUZUSHCT-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccn2)C1 ZINC001484093396 1191207510 /nfs/dbraw/zinc/20/75/10/1191207510.db2.gz HKWHTGRUVHLLCL-AZUAARDMSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1cncc(C[NH+]2CCC(C)(CNC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001484147020 1191235556 /nfs/dbraw/zinc/23/55/56/1191235556.db2.gz LKHOHMZKHKTUCA-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001484382852 1191322949 /nfs/dbraw/zinc/32/29/49/1191322949.db2.gz MOQRZCPSRGZVOI-WBVHZDCISA-N 2 0 335.467 2.352 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cn1 ZINC001484391690 1191325774 /nfs/dbraw/zinc/32/57/74/1191325774.db2.gz WYMLDSUHDMURAK-GBEXYDAJSA-N 2 0 348.466 2.032 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(CC[NH2+]CCF)Cc2ccccc2)CC[N@@H+]1C ZINC001484400677 1191335096 /nfs/dbraw/zinc/33/50/96/1191335096.db2.gz ZSLJXTIWPZNTLH-WMZOPIPTSA-N 2 0 335.467 2.305 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001484401131 1191335147 /nfs/dbraw/zinc/33/51/47/1191335147.db2.gz GHODNIXWOMAUEW-ROUUACIJSA-N 2 0 335.467 2.305 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001484527462 1191395958 /nfs/dbraw/zinc/39/59/58/1191395958.db2.gz UEEOSUYBLVMTSZ-PKOBYXMFSA-N 2 0 344.503 2.203 10 0 EEAERP CCc1nc(C)c(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC2)o1 ZINC001484639890 1191454470 /nfs/dbraw/zinc/45/44/70/1191454470.db2.gz XDTYVCGLRAFQDZ-OAHLLOKOSA-N 2 0 348.491 2.158 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCOCc2ccccc2)CC1 ZINC001484723312 1191484892 /nfs/dbraw/zinc/48/48/92/1191484892.db2.gz NEXIFWIOBUIHHW-IBGZPJMESA-N 2 0 347.503 2.126 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCOCC1 ZINC001484870986 1191556171 /nfs/dbraw/zinc/55/61/71/1191556171.db2.gz ONBUXOAFSLZJBT-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001484897508 1191567912 /nfs/dbraw/zinc/56/79/12/1191567912.db2.gz MXYYBDGFGNVBPQ-LRDDRELGSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001484909669 1191571217 /nfs/dbraw/zinc/57/12/17/1191571217.db2.gz ONQGFSDUVLNPMK-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC001485069105 1191636556 /nfs/dbraw/zinc/63/65/56/1191636556.db2.gz LUYIVBAWAPLEMW-OAHLLOKOSA-N 2 0 339.430 2.339 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)CC[N@@H+]1C ZINC001485092891 1191653229 /nfs/dbraw/zinc/65/32/29/1191653229.db2.gz XPDFRPJKWYQUML-SGZDXZSOSA-N 2 0 343.515 2.444 10 0 EEAERP COc1ccc(CC[NH2+][C@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001485155822 1191668287 /nfs/dbraw/zinc/66/82/87/1191668287.db2.gz LGWLDRSRFSTJGM-CVEARBPZSA-N 2 0 347.503 2.205 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001485179776 1191678899 /nfs/dbraw/zinc/67/88/99/1191678899.db2.gz JKEXFUHYVFGIJS-HZPDHXFCSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]Cc1nccs1 ZINC001485227692 1191698009 /nfs/dbraw/zinc/69/80/09/1191698009.db2.gz WXULVFXUGKHUMA-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP CC(C)c1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001485289747 1191721125 /nfs/dbraw/zinc/72/11/25/1191721125.db2.gz WZTFGUNRRRJILD-APWZRJJASA-N 2 0 347.503 2.077 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001485443558 1191787087 /nfs/dbraw/zinc/78/70/87/1191787087.db2.gz LJYRTKHKKWMMMK-CALCHBBNSA-N 2 0 339.524 2.255 10 0 EEAERP COCc1cccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c1 ZINC001486240198 1193766622 /nfs/dbraw/zinc/76/66/22/1193766622.db2.gz JOJATNNRUQPCME-GOSISDBHSA-N 2 0 347.503 2.111 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(CF)cc2)C(C)(C)C1 ZINC001486241234 1193767740 /nfs/dbraw/zinc/76/77/40/1193767740.db2.gz UIZUQZXFJGWNDB-KRWDZBQOSA-N 2 0 335.467 2.434 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(OC)c2)C(C)(C)C1 ZINC001486247477 1193774254 /nfs/dbraw/zinc/77/42/54/1193774254.db2.gz GKXXLZGSFADTOD-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001486410633 1193918879 /nfs/dbraw/zinc/91/88/79/1193918879.db2.gz MFWMIXQPOJMFHB-YJBOKZPZSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001486405478 1193929711 /nfs/dbraw/zinc/92/97/11/1193929711.db2.gz YFWAOKLKSFOTID-MSOLQXFVSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CCCF)CC1 ZINC001486447673 1193962725 /nfs/dbraw/zinc/96/27/25/1193962725.db2.gz JXCLMDKZBUVYSS-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)C1CC([NH2+]CCCF)C1 ZINC001486476641 1193989660 /nfs/dbraw/zinc/98/96/60/1193989660.db2.gz HXZLTRUGZZAXRJ-UHFFFAOYSA-N 2 0 335.467 2.343 10 0 EEAERP C[C@@H](CC(=O)NCC1=CC[N@H+](CC[C@H]2CCOC2)CC1)n1ccnc1 ZINC001486516190 1194021427 /nfs/dbraw/zinc/02/14/27/1194021427.db2.gz BTOMUMPHXCMNGI-WMZOPIPTSA-N 2 0 346.475 2.009 10 0 EEAERP C[C@@]12CN(C(=O)[C@H]3CCCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702083125 1195739134 /nfs/dbraw/zinc/73/91/34/1195739134.db2.gz VGSOEOLNIMVEEV-NLWGTHIKSA-N 2 0 327.472 2.109 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001410252985 1197636592 /nfs/dbraw/zinc/63/65/92/1197636592.db2.gz XZFQSXLNLUFNGM-QZTJIDSGSA-N 2 0 332.492 2.186 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001410324582 1197708717 /nfs/dbraw/zinc/70/87/17/1197708717.db2.gz JDQDAJIZKRVNQI-ROUUACIJSA-N 2 0 348.491 2.184 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001410387707 1197786701 /nfs/dbraw/zinc/78/67/01/1197786701.db2.gz OAXPWASHXVYTDI-INIZCTEOSA-N 2 0 349.523 2.104 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273260370 1197840581 /nfs/dbraw/zinc/84/05/81/1197840581.db2.gz IHVJQFZEFVGDME-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001410438813 1197897630 /nfs/dbraw/zinc/89/76/30/1197897630.db2.gz QGZDSFJEZLKCGT-MRXNPFEDSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410501713 1198056860 /nfs/dbraw/zinc/05/68/60/1198056860.db2.gz RABJCTWTEYXNOM-CRAIPNDOSA-N 2 0 346.519 2.402 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCOC1CCC1)CC2 ZINC001410890445 1198544282 /nfs/dbraw/zinc/54/42/82/1198544282.db2.gz BTMHVISGMQQXAT-IEBWSBKVSA-N 2 0 337.508 2.011 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001410913220 1198565379 /nfs/dbraw/zinc/56/53/79/1198565379.db2.gz QAHSMIULOCDBJC-IEBWSBKVSA-N 2 0 348.491 2.192 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](Cc2cncs2)CC1 ZINC001411231828 1198942843 /nfs/dbraw/zinc/94/28/43/1198942843.db2.gz HLRWXHOEQXUSRO-AWEZNQCLSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2c(C)nsc2C)C1)[NH+](C)C ZINC001411279245 1199056878 /nfs/dbraw/zinc/05/68/78/1199056878.db2.gz NCJDLSIFVNHNRM-ZBCRRDGASA-N 2 0 338.521 2.179 10 0 EEAERP Cc1cc(C)c(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000870021562 1200412081 /nfs/dbraw/zinc/41/20/81/1200412081.db2.gz HOQYHYQXOITYGR-RTBURBONSA-N 2 0 345.531 2.352 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)C[C@H]1C[NH+](C)C ZINC000870025108 1200414049 /nfs/dbraw/zinc/41/40/49/1200414049.db2.gz ZBKAHLFWSHVIPT-HUUCEWRRSA-N 2 0 335.517 2.048 10 0 EEAERP C[C@H]1C[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000870907580 1200944020 /nfs/dbraw/zinc/94/40/20/1200944020.db2.gz ZBNREWPKCWECIN-VHJHTJHASA-N 2 0 327.472 2.298 10 0 EEAERP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870934778 1200966019 /nfs/dbraw/zinc/96/60/19/1200966019.db2.gz FXQUOHMLZNJUFL-YGRLFVJLSA-N 2 0 340.265 2.035 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866526250 1201541823 /nfs/dbraw/zinc/54/18/23/1201541823.db2.gz HKVDSABVTBCCFZ-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702324 1201583712 /nfs/dbraw/zinc/58/37/12/1201583712.db2.gz ANRAJCKEYNNASD-OXQOHEQNSA-N 2 0 331.504 2.431 10 0 EEAERP C[NH+](C)[C@]1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCSC1 ZINC000868183998 1201759342 /nfs/dbraw/zinc/75/93/42/1201759342.db2.gz GTNGORPAVGGUPI-UXLLHSPISA-N 2 0 334.489 2.060 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001274035810 1204339396 /nfs/dbraw/zinc/33/93/96/1204339396.db2.gz LSQFXDCMIJIUCY-ZESBSSJPSA-N 2 0 343.462 2.414 10 0 EEAERP O=C(Cc1cn2c(n1)CCCC2)NC/C=C/C[NH2+]CC1CCCC1 ZINC001274047766 1204344766 /nfs/dbraw/zinc/34/47/66/1204344766.db2.gz GWXAYVFHWARQCL-SNAWJCMRSA-N 2 0 330.476 2.214 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001274154624 1204412836 /nfs/dbraw/zinc/41/28/36/1204412836.db2.gz TUOQAAFXGWXHFP-PXPVJAHISA-N 2 0 344.503 2.272 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCCc2cccc(F)c2)CC1 ZINC001274330731 1204998849 /nfs/dbraw/zinc/99/88/49/1204998849.db2.gz GGQTZSRYUXIJEL-IHWYPQMZSA-N 2 0 347.478 2.362 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC001411629278 1205462535 /nfs/dbraw/zinc/46/25/35/1205462535.db2.gz IWFOQGJFUHAODV-LJQANCHMSA-N 2 0 329.488 2.281 10 0 EEAERP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001411794947 1205527160 /nfs/dbraw/zinc/52/71/60/1205527160.db2.gz URPHOTCTEOTPRL-GOSISDBHSA-N 2 0 348.539 2.381 10 0 EEAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001276006557 1205631368 /nfs/dbraw/zinc/63/13/68/1205631368.db2.gz AGZYAIFZRBGUKW-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN(CC[NH+](C)C)CC2)n(C)n1 ZINC000924634236 1206007508 /nfs/dbraw/zinc/00/75/08/1206007508.db2.gz CEESOKCVSKNEHW-PXNSSMCTSA-N 2 0 347.551 2.055 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccnnc1 ZINC000924971147 1206056701 /nfs/dbraw/zinc/05/67/01/1206056701.db2.gz SWEXLTUZSYPUOR-OAHLLOKOSA-N 2 0 326.444 2.284 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@H]3C)cc2)CC1 ZINC000925312304 1206094442 /nfs/dbraw/zinc/09/44/42/1206094442.db2.gz HRFAGLPMOYGSBG-YJBOKZPZSA-N 2 0 345.491 2.043 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000925324555 1206096851 /nfs/dbraw/zinc/09/68/51/1206096851.db2.gz NHTGNNPNULQXRU-LMMKCTJWSA-N 2 0 344.503 2.385 10 0 EEAERP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1OCC(=O)N(C)C ZINC000925472779 1206116928 /nfs/dbraw/zinc/11/69/28/1206116928.db2.gz IHPSBTCOYJZIIZ-CGTJXYLNSA-N 2 0 345.487 2.464 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925538073 1206124839 /nfs/dbraw/zinc/12/48/39/1206124839.db2.gz QQMVEUNHMVZWDW-PMACEKPBSA-N 3 0 342.531 2.054 10 0 EEAERP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925581153 1206131688 /nfs/dbraw/zinc/13/16/88/1206131688.db2.gz PZEPGBLZZISRFL-IAGOWNOFSA-N 2 0 333.476 2.466 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925667646 1206141942 /nfs/dbraw/zinc/14/19/42/1206141942.db2.gz DCXPZLDKDCMMNZ-DLBZAZTESA-N 3 0 334.508 2.408 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(F)c1 ZINC000925852752 1206160860 /nfs/dbraw/zinc/16/08/60/1206160860.db2.gz HHYGHTAJZHGYAW-JSGCOSHPSA-N 2 0 336.407 2.170 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC12CC[NH2+]CC2 ZINC000925854585 1206161435 /nfs/dbraw/zinc/16/14/35/1206161435.db2.gz RZBLIRAQNQVGMK-IAQYHMDHSA-N 2 0 336.382 2.227 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925926783 1206170264 /nfs/dbraw/zinc/17/02/64/1206170264.db2.gz SCNCHCOUDIJFEP-CVEARBPZSA-N 2 0 348.491 2.384 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnnc1 ZINC000926591271 1206230002 /nfs/dbraw/zinc/23/00/02/1206230002.db2.gz JVZGXQNTOCRFPB-INIZCTEOSA-N 2 0 326.444 2.154 10 0 EEAERP C[N@@H+]1CC[C@@]2(CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310528 1212501560 /nfs/dbraw/zinc/50/15/60/1212501560.db2.gz OJLVQIPSUCZJLN-UYAOXDASSA-N 2 0 327.472 2.205 10 0 EEAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCCCC1 ZINC000796278006 1215700771 /nfs/dbraw/zinc/70/07/71/1215700771.db2.gz GYMSHKCMWYQLMP-UHFFFAOYSA-N 2 0 345.531 2.431 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087141 1234034417 /nfs/dbraw/zinc/03/44/17/1234034417.db2.gz UQRPQHKRPFPXCY-QZTJIDSGSA-N 2 0 345.487 2.097 10 0 EEAERP CC[NH+](CC)Cc1cccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900158406 1234054740 /nfs/dbraw/zinc/05/47/40/1234054740.db2.gz VXFLYLKZTUURQC-LJQANCHMSA-N 2 0 333.476 2.314 10 0 EEAERP CN1CC[C@](O)(C[NH2+][C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954408 1239183547 /nfs/dbraw/zinc/18/35/47/1239183547.db2.gz VPXOGRBCZXKVFT-PMACEKPBSA-N 2 0 325.456 2.412 10 0 EEAERP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903878305 1242290127 /nfs/dbraw/zinc/29/01/27/1242290127.db2.gz FXIJNURTFXHLNL-IFFAKLHKSA-N 2 0 325.460 2.439 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](C)COc2cccc(C)c2)cnn1C ZINC000903921604 1242507201 /nfs/dbraw/zinc/50/72/01/1242507201.db2.gz QMGFKSDERSLOSX-DOTOQJQBSA-N 2 0 330.476 2.211 10 0 EEAERP C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903930023 1242542423 /nfs/dbraw/zinc/54/24/23/1242542423.db2.gz QIGSIBDGQFUBKN-RHSMWYFYSA-N 2 0 331.439 2.405 10 0 EEAERP C[C@@]1([C@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)COC(=O)N1 ZINC000903986440 1242879655 /nfs/dbraw/zinc/87/96/55/1242879655.db2.gz JQZSELOOPMERDU-GUYCJALGSA-N 2 0 335.473 2.104 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001490947569 1258500378 /nfs/dbraw/zinc/50/03/78/1258500378.db2.gz QRNYNFUTNCCENQ-LNLFQRSKSA-N 2 0 347.528 2.403 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001491025317 1258582804 /nfs/dbraw/zinc/58/28/04/1258582804.db2.gz CITSVNAXZDFMDI-AWRSYFIJSA-N 2 0 325.884 2.383 10 0 EEAERP C[C@H](O)c1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000850344189 1277188981 /nfs/dbraw/zinc/18/89/81/1277188981.db2.gz CYNFKZVLFSGPIQ-ZDUSSCGKSA-N 2 0 339.505 2.177 10 0 EEAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001489325507 1290510015 /nfs/dbraw/zinc/51/00/15/1290510015.db2.gz GMSJLXMDSDMSMN-ALOLOFKDSA-N 2 0 339.911 2.394 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc2ncccc2c1 ZINC001490279713 1291106949 /nfs/dbraw/zinc/10/69/49/1291106949.db2.gz NRVOUNLGRCBMID-SFHVURJKSA-N 2 0 340.471 2.125 10 0 EEAERP CCN(CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1cc(C)on1 ZINC001490348726 1291168249 /nfs/dbraw/zinc/16/82/49/1291168249.db2.gz HABHTBDCLYNXSJ-QZTJIDSGSA-N 2 0 348.491 2.328 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C2)ccc1C ZINC001490579506 1291475911 /nfs/dbraw/zinc/47/59/11/1291475911.db2.gz DCNOHQAVTGHAST-QGZVFWFLSA-N 2 0 333.476 2.034 10 0 EEAERP O=C(NC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001490728093 1291613105 /nfs/dbraw/zinc/61/31/05/1291613105.db2.gz JNVSGRBLGVTVKS-GOSISDBHSA-N 2 0 331.504 2.457 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC000854734952 1292932813 /nfs/dbraw/zinc/93/28/13/1292932813.db2.gz GNAGFVHFFCQAPG-MSOLQXFVSA-N 2 0 325.472 2.143 10 0 EEAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC1 ZINC000858121932 1294012438 /nfs/dbraw/zinc/01/24/38/1294012438.db2.gz CUSZTRWXWLEFIF-IBGZPJMESA-N 2 0 341.499 2.453 10 0 EEAERP C[N@@H+]1CC[C@H](NC2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178915 1294033931 /nfs/dbraw/zinc/03/39/31/1294033931.db2.gz UUBZHNAAWNUCNO-INIZCTEOSA-N 2 0 331.460 2.470 10 0 EEAERP C[NH+](C)C1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000862008338 1295650353 /nfs/dbraw/zinc/65/03/53/1295650353.db2.gz NSKPGRZKXQDKJC-GOSISDBHSA-N 2 0 341.499 2.499 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000863550563 1296329285 /nfs/dbraw/zinc/32/92/85/1296329285.db2.gz ABYXHEDRKMGQFL-CVEARBPZSA-N 2 0 335.835 2.097 10 0 EEAERP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCOC(C)C ZINC001276774581 1297587603 /nfs/dbraw/zinc/58/76/03/1297587603.db2.gz XVMFDILYSBXDLP-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCCC1CCOCC1 ZINC001277771026 1304379206 /nfs/dbraw/zinc/37/92/06/1304379206.db2.gz KXAQPTYAXROKLO-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001277923338 1305117213 /nfs/dbraw/zinc/11/72/13/1305117213.db2.gz ZDNNHYIXCKSEJF-KRWDZBQOSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001278276501 1308950066 /nfs/dbraw/zinc/95/00/66/1308950066.db2.gz WGXLERWHSNLHBE-IAGOWNOFSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c1 ZINC001278326947 1309460196 /nfs/dbraw/zinc/46/01/96/1309460196.db2.gz YDGICFWEAZYPNH-IEBWSBKVSA-N 2 0 347.503 2.293 10 0 EEAERP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CCC([NH3+])CC1 ZINC000841823597 1315618292 /nfs/dbraw/zinc/61/82/92/1315618292.db2.gz OGOVTSNOEBUDCT-UHFFFAOYSA-N 2 0 336.455 2.299 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841899258 1315633093 /nfs/dbraw/zinc/63/30/93/1315633093.db2.gz UTKVDMFIQXXWAH-VDZJLULYSA-N 2 0 330.476 2.030 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCCC[NH3+] ZINC000843342119 1315894476 /nfs/dbraw/zinc/89/44/76/1315894476.db2.gz NJOYOPJGUBRRGH-GFCCVEGCSA-N 2 0 330.270 2.108 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccn1 ZINC001278527475 1317146940 /nfs/dbraw/zinc/14/69/40/1317146940.db2.gz SXNMGFNXRDJBAN-AEFFLSMTSA-N 2 0 332.492 2.283 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCCc2ccccc2)C1 ZINC001278541988 1317188291 /nfs/dbraw/zinc/18/82/91/1317188291.db2.gz DWHDFCMWAMOVRI-FQEVSTJZSA-N 2 0 331.504 2.399 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C(F)(F)F)C1 ZINC001278704573 1317802972 /nfs/dbraw/zinc/80/29/72/1317802972.db2.gz SHGVPFXPIVMZTH-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001264481365 1322708585 /nfs/dbraw/zinc/70/85/85/1322708585.db2.gz SIHYSTZRESKLDG-YESZJQIVSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001264996306 1322844224 /nfs/dbraw/zinc/84/42/24/1322844224.db2.gz GPSDEQJXIWCZLF-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP CCc1nocc1C[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265121264 1322931392 /nfs/dbraw/zinc/93/13/92/1322931392.db2.gz NMMUOBKGDMWVAB-UHFFFAOYSA-N 2 0 348.491 2.194 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001265198658 1322980203 /nfs/dbraw/zinc/98/02/03/1322980203.db2.gz FIGYXQFOQMPRJO-UHFFFAOYSA-N 2 0 347.503 2.321 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001265595121 1323252169 /nfs/dbraw/zinc/25/21/69/1323252169.db2.gz SPQHCMQJAXGHHS-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCCCF)C1 ZINC001265613498 1323267392 /nfs/dbraw/zinc/26/73/92/1323267392.db2.gz QAEBKOFVOLENLZ-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccc(Cl)cc1 ZINC001265759531 1323367401 /nfs/dbraw/zinc/36/74/01/1323367401.db2.gz XHUZVGKGTOXOEU-RHSMWYFYSA-N 2 0 337.895 2.461 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(CC[NH2+]C/C=C\Cl)cc1 ZINC001266081191 1323638751 /nfs/dbraw/zinc/63/87/51/1323638751.db2.gz FYJHLDCOICYDRM-TYIWRNDTSA-N 2 0 335.879 2.282 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1cnccn1 ZINC001266095045 1323654773 /nfs/dbraw/zinc/65/47/73/1323654773.db2.gz KFLOTPOSLKBQDQ-KRWDZBQOSA-N 2 0 347.507 2.098 10 0 EEAERP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)C12CCC[NH+]1CCC2 ZINC001266224930 1323798428 /nfs/dbraw/zinc/79/84/28/1323798428.db2.gz GNTONLLJLHLABL-MRXNPFEDSA-N 2 0 325.472 2.335 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1)[NH+]1CCCC1 ZINC001280138836 1324094078 /nfs/dbraw/zinc/09/40/78/1324094078.db2.gz ARSVKGNJJORDAB-QGZVFWFLSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001280263801 1324134439 /nfs/dbraw/zinc/13/44/39/1324134439.db2.gz MRJOUOANMHFPBR-QFBILLFUSA-N 2 0 347.503 2.364 10 0 EEAERP CCc1nccn1[C@H](C)CC(=O)N1CCC(C)([NH2+]CCOC)CC1 ZINC001281497674 1325174110 /nfs/dbraw/zinc/17/41/10/1325174110.db2.gz JUUGFZZFHQPIQR-OAHLLOKOSA-N 2 0 336.480 2.014 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001282066587 1325606925 /nfs/dbraw/zinc/60/69/25/1325606925.db2.gz OPYAXXYKPRVNAQ-HDYDNRTBSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249351 1325971010 /nfs/dbraw/zinc/97/10/10/1325971010.db2.gz SEGMILFXZHHCPH-FUHWJXTLSA-N 2 0 349.523 2.058 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccsc1 ZINC001283613637 1326162978 /nfs/dbraw/zinc/16/29/78/1326162978.db2.gz YQWFCAZSRVXKHL-QAPCUYQASA-N 2 0 349.544 2.459 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001284616942 1326632961 /nfs/dbraw/zinc/63/29/61/1326632961.db2.gz FABSNPLLRMXTOD-GFCCVEGCSA-N 2 0 325.419 2.401 10 0 EEAERP COc1cc(C[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)ccc1C ZINC001284960556 1326796946 /nfs/dbraw/zinc/79/69/46/1326796946.db2.gz VNPPBRSUMKXROJ-UHFFFAOYSA-N 2 0 345.487 2.204 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001491896165 1330294150 /nfs/dbraw/zinc/29/41/50/1330294150.db2.gz KVPZLRHBJIPQMR-HUUCEWRRSA-N 2 0 338.521 2.309 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001491935567 1330327221 /nfs/dbraw/zinc/32/72/21/1330327221.db2.gz YEBVVTACAHJHGC-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C/C=C/Cl)C2)CC[N@@H+]1C ZINC001491945047 1330336190 /nfs/dbraw/zinc/33/61/90/1330336190.db2.gz YMBFJLMINRPLSE-TWDVFJJTSA-N 2 0 327.900 2.392 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001492110335 1330479476 /nfs/dbraw/zinc/47/94/76/1330479476.db2.gz CZOLBSPUULTVHA-DOMZBBRYSA-N 2 0 338.521 2.086 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2cccnc2)CC1 ZINC001492167301 1331033402 /nfs/dbraw/zinc/03/34/02/1331033402.db2.gz SRRHHXMPOWTEHH-GOSISDBHSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCc1ccccc1 ZINC001492450341 1331262753 /nfs/dbraw/zinc/26/27/53/1331262753.db2.gz NKQYYHKOOQLHNC-RTBURBONSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@H](C(=O)NCCC[N@@H+](C)[C@H](C)c1cnccn1)[NH+]1CCCCCC1 ZINC001316853508 1331469105 /nfs/dbraw/zinc/46/91/05/1331469105.db2.gz GLGPKSJASWXVOQ-IAGOWNOFSA-N 2 0 347.507 2.240 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@@H](C)c2cnccn2)CC1 ZINC001316857116 1331550159 /nfs/dbraw/zinc/55/01/59/1331550159.db2.gz BBZDWTVSAPQTPH-INIZCTEOSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001316704948 1331835398 /nfs/dbraw/zinc/83/53/98/1331835398.db2.gz VVHRSVAGVXPEON-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H]1CCCC(F)(F)C1 ZINC001316815215 1331844601 /nfs/dbraw/zinc/84/46/01/1331844601.db2.gz IMSPZNFDVAZKNP-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccccn1 ZINC001316827751 1331917464 /nfs/dbraw/zinc/91/74/64/1331917464.db2.gz CDSLTIJLLSTMIY-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP CN(C)c1ccccc1C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316992172 1332034463 /nfs/dbraw/zinc/03/44/63/1332034463.db2.gz XGRSRZDNGQJWOB-SFHVURJKSA-N 2 0 346.519 2.175 10 0 EEAERP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001317148010 1332099695 /nfs/dbraw/zinc/09/96/95/1332099695.db2.gz BKWORENIOVJIPK-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001317164633 1332107496 /nfs/dbraw/zinc/10/74/96/1332107496.db2.gz ZFORKFLSRVPATO-DLBZAZTESA-N 2 0 347.507 2.098 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001317263993 1332157670 /nfs/dbraw/zinc/15/76/70/1332157670.db2.gz ISLFACJZLPKCTE-SQNIBIBYSA-N 2 0 347.503 2.198 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001317304929 1332171901 /nfs/dbraw/zinc/17/19/01/1332171901.db2.gz RLXQDHRPQRXLIG-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001317335548 1332183909 /nfs/dbraw/zinc/18/39/09/1332183909.db2.gz RGKHVGGNROKJLF-HNNXBMFYSA-N 2 0 335.517 2.071 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001317338808 1332185280 /nfs/dbraw/zinc/18/52/80/1332185280.db2.gz PUSGDQFQLDAVJZ-ICSRJNTNSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379356 1332205878 /nfs/dbraw/zinc/20/58/78/1332205878.db2.gz NFZKRYLWGCVSNX-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379508 1332206113 /nfs/dbraw/zinc/20/61/13/1332206113.db2.gz OPPYKCOHDNUPAE-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP CN(CC[NH2+]Cc1ccc2ccccc2c1)C(=O)C[NH+]1CCCC1 ZINC001317662564 1332357045 /nfs/dbraw/zinc/35/70/45/1332357045.db2.gz YLFRZNXRFRYCJG-UHFFFAOYSA-N 2 0 325.456 2.484 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1F ZINC001317670865 1332362273 /nfs/dbraw/zinc/36/22/73/1332362273.db2.gz XYOVKEJPKRJXDK-ZIAGYGMSSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001318653550 1332572772 /nfs/dbraw/zinc/57/27/72/1332572772.db2.gz ICWOTYWKOGTXLJ-KRWDZBQOSA-N 2 0 331.451 2.187 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCc1cccs1 ZINC001319248750 1332671120 /nfs/dbraw/zinc/67/11/20/1332671120.db2.gz BRBAHHNFPCPIAF-OAHLLOKOSA-N 2 0 337.533 2.364 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC001320522563 1332902420 /nfs/dbraw/zinc/90/24/20/1332902420.db2.gz HHHHLEJKHCSUNR-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)on1 ZINC001320593377 1332917618 /nfs/dbraw/zinc/91/76/18/1332917618.db2.gz BCGJOZOBJZXIRC-CQSZACIVSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2cnc(C)s2)CC[N@@H+]1C ZINC001320736811 1332943098 /nfs/dbraw/zinc/94/30/98/1332943098.db2.gz HUPPAMRBUJSGGG-JKSUJKDBSA-N 2 0 338.521 2.120 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)o1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001320929594 1332981517 /nfs/dbraw/zinc/98/15/17/1332981517.db2.gz SOROZMKRTNXZQZ-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc2cccnc21)[NH+](C)C ZINC001321113392 1333022519 /nfs/dbraw/zinc/02/25/19/1333022519.db2.gz XWLNYOAWNSWHRB-OOFWQKGWSA-N 2 0 340.471 2.337 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322566382 1333284015 /nfs/dbraw/zinc/28/40/15/1333284015.db2.gz MBPVPOQMOJENKI-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)sn1 ZINC001322722273 1333313799 /nfs/dbraw/zinc/31/37/99/1333313799.db2.gz BTHMCYSJGSMJBM-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCOc3ccccc3)CC2)CC1 ZINC001323530376 1333483497 /nfs/dbraw/zinc/48/34/97/1333483497.db2.gz LTBLZSAXYATWGO-UHFFFAOYSA-N 2 0 345.487 2.036 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CCCC[NH+](C)C ZINC001324091345 1333606988 /nfs/dbraw/zinc/60/69/88/1333606988.db2.gz VDJGJRKLJFGBBJ-SJLPKXTDSA-N 2 0 332.492 2.283 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1)C12CCC[NH+]1CCC2 ZINC001324186686 1333630714 /nfs/dbraw/zinc/63/07/14/1333630714.db2.gz MAIBQDCYPALLHP-QZTJIDSGSA-N 2 0 349.519 2.155 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)[C@H]1c1ccc(F)cc1 ZINC001324410557 1333677115 /nfs/dbraw/zinc/67/71/15/1333677115.db2.gz RHMJPBDRGIFLTH-ZWKOTPCHSA-N 2 0 348.466 2.356 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCCCCF)C[C@H]21)[NH+](C)C ZINC001325956036 1334006449 /nfs/dbraw/zinc/00/64/49/1334006449.db2.gz OZEDLMWGIARREE-GVDBMIGSSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001326285221 1334059585 /nfs/dbraw/zinc/05/95/85/1334059585.db2.gz CFACTTKFQQDEQZ-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326362816 1334076234 /nfs/dbraw/zinc/07/62/34/1334076234.db2.gz CTLPLBVSHJVZOI-ICSRJNTNSA-N 2 0 343.515 2.399 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC001326410783 1334087383 /nfs/dbraw/zinc/08/73/83/1334087383.db2.gz COVFGRFKDFAEGK-SJLPKXTDSA-N 2 0 349.523 2.132 10 0 EEAERP O=C(N1CCO[C@@H](C[NH2+]CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001327006285 1334201863 /nfs/dbraw/zinc/20/18/63/1334201863.db2.gz WNWPUNMDSOALTB-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001327172966 1334239885 /nfs/dbraw/zinc/23/98/85/1334239885.db2.gz MFALXEKDUNYLEQ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327308884 1334264491 /nfs/dbraw/zinc/26/44/91/1334264491.db2.gz RKFBTVCUMSQFFR-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001328764535 1334516171 /nfs/dbraw/zinc/51/61/71/1334516171.db2.gz BWKDRUFYSCUKBW-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCOc2ccccc2)C1 ZINC001328876157 1334539494 /nfs/dbraw/zinc/53/94/94/1334539494.db2.gz NIXDOGIRALCJLG-TVPLGVNVSA-N 2 0 345.487 2.034 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001329335085 1334629404 /nfs/dbraw/zinc/62/94/04/1334629404.db2.gz IAIDLFYHJMKDHA-MSOLQXFVSA-N 2 0 349.494 2.376 10 0 EEAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330444913 1334845651 /nfs/dbraw/zinc/84/56/51/1334845651.db2.gz IYBRWEXPXDTYJJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001330919262 1334927348 /nfs/dbraw/zinc/92/73/48/1334927348.db2.gz UNVXBQGEAQLHGR-UONOGXRCSA-N 2 0 331.451 2.248 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001332109257 1335731163 /nfs/dbraw/zinc/73/11/63/1335731163.db2.gz FKNSTMABWSWLNY-XLIONFOSSA-N 2 0 349.519 2.012 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)C1)C1CCCCC1 ZINC001332293198 1335794422 /nfs/dbraw/zinc/79/44/22/1335794422.db2.gz OYSKMOAOUWHPBM-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](CC(=O)NCC1=CC[N@H+](CC2CCOCC2)CC1)n1ccnc1 ZINC001333417986 1336041077 /nfs/dbraw/zinc/04/10/77/1336041077.db2.gz UIJJAVKCBAFCKN-MRXNPFEDSA-N 2 0 346.475 2.009 10 0 EEAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001433975504 1341735087 /nfs/dbraw/zinc/73/50/87/1341735087.db2.gz XPKOZNSGMQYSBQ-VQIMIIECSA-N 2 0 329.488 2.490 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2N(C)C)C1 ZINC001500293073 1342139817 /nfs/dbraw/zinc/13/98/17/1342139817.db2.gz QRKQHYAEJYCDFQ-HXUWFJFHSA-N 2 0 346.519 2.173 10 0 EEAERP Cc1cnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001500347432 1342175840 /nfs/dbraw/zinc/17/58/40/1342175840.db2.gz GDYBPNOKFIMSRF-APWZRJJASA-N 2 0 348.491 2.184 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001500392924 1342185162 /nfs/dbraw/zinc/18/51/62/1342185162.db2.gz JDMGPGALEXIKGF-FUHWJXTLSA-N 2 0 327.488 2.296 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1CC[C@@H]1CCCO1 ZINC001506588542 1342262819 /nfs/dbraw/zinc/26/28/19/1342262819.db2.gz YYTQDOZMFVCTMQ-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567241276 1342715370 /nfs/dbraw/zinc/71/53/70/1342715370.db2.gz WGLPIOXFFORRCN-CYBMUJFWSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)sn1 ZINC001567523094 1342777617 /nfs/dbraw/zinc/77/76/17/1342777617.db2.gz QSULPBMUPCRQBR-UHFFFAOYSA-N 2 0 343.456 2.269 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001569526072 1342892790 /nfs/dbraw/zinc/89/27/90/1342892790.db2.gz DHDJKPVPWIUAQB-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001570361615 1343061489 /nfs/dbraw/zinc/06/14/89/1343061489.db2.gz HBLOZMBUEBJTTN-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570886910 1343129572 /nfs/dbraw/zinc/12/95/72/1343129572.db2.gz QZAMOTFQSOKISN-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP COCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001570895058 1343132989 /nfs/dbraw/zinc/13/29/89/1343132989.db2.gz MDUDZTAJXQFRHN-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001571687091 1343272085 /nfs/dbraw/zinc/27/20/85/1343272085.db2.gz SRKJGISFYZRQSY-GOSISDBHSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001676461510 1357153130 /nfs/dbraw/zinc/15/31/30/1357153130.db2.gz MFEOAOAGHUOMLS-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001676951501 1357247893 /nfs/dbraw/zinc/24/78/93/1357247893.db2.gz KDXRZZACSJESNM-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOCC)C(C)(C)C1 ZINC001677004575 1357260601 /nfs/dbraw/zinc/26/06/01/1357260601.db2.gz WKDLEALUKXFTKU-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC001596190617 1349902729 /nfs/dbraw/zinc/90/27/29/1349902729.db2.gz KEICZMSPMLXFAT-INIZCTEOSA-N 2 0 332.492 2.385 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC001647003477 1353099730 /nfs/dbraw/zinc/09/97/30/1353099730.db2.gz BAXDYUAVIMGAQF-OTWHNJEPSA-N 2 0 327.472 2.352 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)CCCNC(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001660346024 1354445080 /nfs/dbraw/zinc/44/50/80/1354445080.db2.gz QXMVHBSKVXZHEC-KRWDZBQOSA-N 2 0 347.507 2.016 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCc1cccs1 ZINC001660613990 1354501653 /nfs/dbraw/zinc/50/16/53/1354501653.db2.gz LQWMMKOQJULVJQ-UHFFFAOYSA-N 2 0 335.517 2.215 10 0 EEAERP Cc1ncc(C[N@H+](CCCNC(=O)C(C)(C)[NH+]2CCCC2)C2CC2)o1 ZINC001660712151 1354522932 /nfs/dbraw/zinc/52/29/32/1354522932.db2.gz GBILHLAABCSQMI-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001661213266 1354608469 /nfs/dbraw/zinc/60/84/69/1354608469.db2.gz OHSJJXOSTYJORR-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001661510744 1354647620 /nfs/dbraw/zinc/64/76/20/1354647620.db2.gz HPOMZSHNSHNRHM-QAQDUYKDSA-N 2 0 339.524 2.303 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001661555204 1354657138 /nfs/dbraw/zinc/65/71/38/1354657138.db2.gz KPIRSYNKEZUUBF-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001662261771 1354770892 /nfs/dbraw/zinc/77/08/92/1354770892.db2.gz GDPUTXXZVDQBFF-ZWKOTPCHSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1)[NH+]1CCCCCC1 ZINC001662349917 1354784550 /nfs/dbraw/zinc/78/45/50/1354784550.db2.gz GGULJNHLTUOJFE-ZWKOTPCHSA-N 2 0 347.503 2.424 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001662649105 1354819363 /nfs/dbraw/zinc/81/93/63/1354819363.db2.gz FJXWDVACGXCEAO-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001662675851 1354824683 /nfs/dbraw/zinc/82/46/83/1354824683.db2.gz TXXPOLAYEVBGPY-WBVHZDCISA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001662766323 1354841229 /nfs/dbraw/zinc/84/12/29/1354841229.db2.gz ICXOCZXUFJOSFV-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001663120854 1354922247 /nfs/dbraw/zinc/92/22/47/1354922247.db2.gz ZGAFEXFIOZMUCI-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001664392095 1355153071 /nfs/dbraw/zinc/15/30/71/1355153071.db2.gz XSIYTUDUZHBJDM-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CC[C@H](C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)OC ZINC001666115259 1355455917 /nfs/dbraw/zinc/45/59/17/1355455917.db2.gz LHMQVWAGEJFLEH-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001666172368 1355474894 /nfs/dbraw/zinc/47/48/94/1355474894.db2.gz GGPZUYPZCXFTJQ-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001666240248 1355492979 /nfs/dbraw/zinc/49/29/79/1355492979.db2.gz KTTPNSUIGMBDOH-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CCc1c(F)cccc1F ZINC001667060016 1355642582 /nfs/dbraw/zinc/64/25/82/1355642582.db2.gz YSJOJXMJTFYHFK-AWEZNQCLSA-N 2 0 341.446 2.284 10 0 EEAERP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001667094897 1355647703 /nfs/dbraw/zinc/64/77/03/1355647703.db2.gz BJZBZVPUSBVGAO-GTBONMDNSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCCF)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001667183343 1355667551 /nfs/dbraw/zinc/66/75/51/1355667551.db2.gz OQNRWDTXSHNIDP-DYVFJYSZSA-N 2 0 332.423 2.443 10 0 EEAERP COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001667354004 1355719147 /nfs/dbraw/zinc/71/91/47/1355719147.db2.gz ZJMQIMLYXWSIPP-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001667743274 1355804388 /nfs/dbraw/zinc/80/43/88/1355804388.db2.gz DXDSYDBUSIXWEL-RBUKOAKNSA-N 2 0 343.515 2.445 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001668105886 1355872403 /nfs/dbraw/zinc/87/24/03/1355872403.db2.gz JJVKIKZIGCWATJ-BXUZGUMPSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001668197182 1355897387 /nfs/dbraw/zinc/89/73/87/1355897387.db2.gz NFMKBIIEGHWCFZ-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668640583 1355977686 /nfs/dbraw/zinc/97/76/86/1355977686.db2.gz FMZRJOLZCZWACX-LJQANCHMSA-N 2 0 329.488 2.065 10 0 EEAERP CCc1ccc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001668834257 1356016663 /nfs/dbraw/zinc/01/66/63/1356016663.db2.gz UPSDJWNWYBMIPB-HOQHSMRBSA-N 2 0 343.515 2.394 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001668854672 1356023975 /nfs/dbraw/zinc/02/39/75/1356023975.db2.gz UYSUVNHHVBCKFD-JXCVUKRWSA-N 2 0 333.451 2.462 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCc2ccc(C)cc2)CC[N@@H+]1C ZINC001669293933 1356141519 /nfs/dbraw/zinc/14/15/19/1356141519.db2.gz UYOGPUQJXWWDAF-NZSAHSFTSA-N 2 0 331.504 2.362 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001670245768 1356303028 /nfs/dbraw/zinc/30/30/28/1356303028.db2.gz CWAMJMATEHPBRQ-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001670357341 1356326255 /nfs/dbraw/zinc/32/62/55/1356326255.db2.gz BSPHVFMWBIIQNE-UHFFFAOYSA-N 2 0 338.496 2.250 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001672915183 1356614352 /nfs/dbraw/zinc/61/43/52/1356614352.db2.gz FXPMNDVJCSHWGG-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001673168379 1356650918 /nfs/dbraw/zinc/65/09/18/1356650918.db2.gz JVJHIDBGQDGNCJ-MRXNPFEDSA-N 2 0 325.472 2.097 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001698755273 1405045349 /nfs/dbraw/zinc/04/53/49/1405045349.db2.gz NNVDOUGDPKQNOB-WMZOPIPTSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698913653 1405156075 /nfs/dbraw/zinc/15/60/75/1405156075.db2.gz IAVKWKUXCKGCIH-KBAYOESNSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001698916719 1405159526 /nfs/dbraw/zinc/15/95/26/1405159526.db2.gz LZGQGZZRDIWWQS-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]CCCF)[C@@]12CC[N@H+](C1)CCC2 ZINC001698920165 1405162320 /nfs/dbraw/zinc/16/23/20/1405162320.db2.gz JXVXLNPXSKKNQG-AEFFLSMTSA-N 2 0 325.472 2.193 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000925839960 779325239 /nfs/dbraw/zinc/32/52/39/779325239.db2.gz TYYOMOVNYCPTNE-SGMGOOAPSA-N 2 0 339.281 2.112 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817930459 785110661 /nfs/dbraw/zinc/11/06/61/785110661.db2.gz BSJYTXGXGLNCMW-ZBFHGGJFSA-N 2 0 335.448 2.438 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC000913276809 788753284 /nfs/dbraw/zinc/75/32/84/788753284.db2.gz MORGSYVAKNPMNB-WOJBJXKFSA-N 2 0 329.488 2.205 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413601 789520353 /nfs/dbraw/zinc/52/03/53/789520353.db2.gz GLCWUKPOJJEPQU-BFYDXBDKSA-N 2 0 338.879 2.462 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923491505 789662155 /nfs/dbraw/zinc/66/21/55/789662155.db2.gz IFSBKPZVBNSWSD-RRFJBIMHSA-N 2 0 326.868 2.305 10 0 EEAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846227173 790093772 /nfs/dbraw/zinc/09/37/72/790093772.db2.gz IKJXPFWPUIKCCW-BSDSXHPESA-N 2 0 339.524 2.432 10 0 EEAERP O=C(OCCCN1CCOCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000785711949 806572190 /nfs/dbraw/zinc/57/21/90/806572190.db2.gz DLCKHURIEBMDHK-UHFFFAOYSA-N 2 0 332.444 2.162 10 0 EEAERP c1nn(-c2ccccc2)nc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001179789678 800102486 /nfs/dbraw/zinc/10/24/86/800102486.db2.gz VEYBYHJPNWWPAL-UHFFFAOYSA-N 2 0 334.427 2.421 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000922336373 800683796 /nfs/dbraw/zinc/68/37/96/800683796.db2.gz XYNGBOQADCVEMY-IMFGXOCKSA-N 2 0 344.503 2.290 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC=C(C)C ZINC001565997994 1125493737 /nfs/dbraw/zinc/49/37/37/1125493737.db2.gz OUKFRQCXXVCJPT-RDGPPVDQSA-N 2 0 333.520 2.463 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001436470715 1087931992 /nfs/dbraw/zinc/93/19/92/1087931992.db2.gz JIWUSWUWFRQOMK-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001436662423 1088089267 /nfs/dbraw/zinc/08/92/67/1088089267.db2.gz DAQRBHZVZRGOIT-HKUYNNGSSA-N 2 0 340.471 2.485 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1 ZINC001436790365 1088352656 /nfs/dbraw/zinc/35/26/56/1088352656.db2.gz QTENLVXBFNGTAZ-AHRSYUTCSA-N 2 0 343.515 2.362 10 0 EEAERP C[C@@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccccc1F ZINC001436825272 1088427302 /nfs/dbraw/zinc/42/73/02/1088427302.db2.gz HGTLWOWLPQAUHC-KDOFPFPSSA-N 2 0 345.462 2.467 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCF)C2)C1 ZINC001436836580 1088463756 /nfs/dbraw/zinc/46/37/56/1088463756.db2.gz ATFZKQQHRXERFS-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP Cc1ncc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001436842754 1088480031 /nfs/dbraw/zinc/48/00/31/1088480031.db2.gz OKNPTSVZLMIPQP-OAHLLOKOSA-N 2 0 338.521 2.074 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001436935441 1088608937 /nfs/dbraw/zinc/60/89/37/1088608937.db2.gz NECXSQBSMNEQPH-WKILWMFISA-N 2 0 325.403 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC001436946980 1088629321 /nfs/dbraw/zinc/62/93/21/1088629321.db2.gz VABDVTDAWAGNHH-OALUTQOASA-N 2 0 344.503 2.235 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001437053973 1088948555 /nfs/dbraw/zinc/94/85/55/1088948555.db2.gz YPXHRSBDRJBYTD-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001437197675 1089252667 /nfs/dbraw/zinc/25/26/67/1089252667.db2.gz GHFVFEDJXAOWKM-OAHLLOKOSA-N 2 0 332.492 2.141 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001437374037 1089615865 /nfs/dbraw/zinc/61/58/65/1089615865.db2.gz JXIBBYAKTABBEZ-WBVHZDCISA-N 2 0 333.476 2.082 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccon1 ZINC001437381946 1089631429 /nfs/dbraw/zinc/63/14/29/1089631429.db2.gz PKYGZWLSYQPYFO-PBHICJAKSA-N 2 0 334.464 2.066 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCCc2ccccc2)CC[N@@H+]1C ZINC001437460739 1089776906 /nfs/dbraw/zinc/77/69/06/1089776906.db2.gz CKBNREUSLBGKQB-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP COc1cc(C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C)ccc1Cl ZINC001437571145 1090056388 /nfs/dbraw/zinc/05/63/88/1090056388.db2.gz SKMQFSGDTKFSAM-UHFFFAOYSA-N 2 0 341.883 2.237 10 0 EEAERP CO[C@H](C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C)C1CCCC1 ZINC001437698409 1090242056 /nfs/dbraw/zinc/24/20/56/1090242056.db2.gz NSZDIXMINUHSIA-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001437717959 1090267955 /nfs/dbraw/zinc/26/79/55/1090267955.db2.gz CVVHTWSDUDOFBR-LSDHHAIUSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC001437847214 1090429921 /nfs/dbraw/zinc/42/99/21/1090429921.db2.gz ZNEMXYWGAYNIMB-KRWDZBQOSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001437989285 1090586327 /nfs/dbraw/zinc/58/63/27/1090586327.db2.gz HSDXJJSPKLJCNK-IBGZPJMESA-N 2 0 331.504 2.270 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccn(C2CCCC2)n1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438719829 1091244974 /nfs/dbraw/zinc/24/49/74/1091244974.db2.gz HYQVIQXUJBWCOD-INIZCTEOSA-N 2 0 347.507 2.031 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001438754591 1091316338 /nfs/dbraw/zinc/31/63/38/1091316338.db2.gz PEHKDYNBUOQSFM-IAGOWNOFSA-N 2 0 348.491 2.089 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001438769218 1091351315 /nfs/dbraw/zinc/35/13/15/1091351315.db2.gz GCZZGOYMBKCZKQ-LPHOPBHVSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439180091 1091828040 /nfs/dbraw/zinc/82/80/40/1091828040.db2.gz VPXMRURREXPHBF-TZMCWYRMSA-N 2 0 343.393 2.251 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001439366539 1092092743 /nfs/dbraw/zinc/09/27/43/1092092743.db2.gz NACHMUSQVUCGMP-QAPCUYQASA-N 2 0 345.503 2.060 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439368997 1092100794 /nfs/dbraw/zinc/10/07/94/1092100794.db2.gz SDKWADNHHLQRFI-ZIAGYGMSSA-N 2 0 339.430 2.243 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cnccc1C ZINC001439413347 1092180226 /nfs/dbraw/zinc/18/02/26/1092180226.db2.gz YLWAVFVGLBDYGZ-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@H](C)C[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001446207231 1092288967 /nfs/dbraw/zinc/28/89/67/1092288967.db2.gz YMLHLNQJRVHSOQ-AWEZNQCLSA-N 2 0 327.432 2.165 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001439697553 1092649085 /nfs/dbraw/zinc/64/90/85/1092649085.db2.gz AGPPQGXQFPQZEC-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439784785 1092742032 /nfs/dbraw/zinc/74/20/32/1092742032.db2.gz UKWFTUZCSAOICK-CABCVRRESA-N 2 0 343.462 2.344 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001439801076 1092757324 /nfs/dbraw/zinc/75/73/24/1092757324.db2.gz AYVSUCGYNLKJDG-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cnc(C)o1)C1CCCC1)[NH+](C)C ZINC001439815424 1092791577 /nfs/dbraw/zinc/79/15/77/1092791577.db2.gz RAHOERVWRYLFKS-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001439830588 1092822257 /nfs/dbraw/zinc/82/22/57/1092822257.db2.gz PACJSYBRPCLASH-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001439843625 1092851256 /nfs/dbraw/zinc/85/12/56/1092851256.db2.gz ANKAZZJMFDJWSQ-LJQANCHMSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001439946768 1093057403 /nfs/dbraw/zinc/05/74/03/1093057403.db2.gz FICNROJCIFVYIE-FQEVSTJZSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC2CCCC2)CCOCC1 ZINC001439970263 1093084057 /nfs/dbraw/zinc/08/40/57/1093084057.db2.gz QEGCTHYHTRDTMW-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001440378077 1093546063 /nfs/dbraw/zinc/54/60/63/1093546063.db2.gz ZNFMUDPTVBKWRA-NQNKBUKLSA-N 2 0 330.476 2.181 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001440383210 1093554200 /nfs/dbraw/zinc/55/42/00/1093554200.db2.gz ZTJCUMCOSWTZJJ-FHWLQOOXSA-N 2 0 329.488 2.321 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001448675230 1093742553 /nfs/dbraw/zinc/74/25/53/1093742553.db2.gz GNTZJQXLUUVJQJ-XJKSGUPXSA-N 2 0 336.480 2.102 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001448715049 1093787143 /nfs/dbraw/zinc/78/71/43/1093787143.db2.gz ZIUXMMCSWSBNMP-BQFCYCMXSA-N 2 0 347.503 2.362 10 0 EEAERP CC(C)[NH2+][C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449026881 1094033467 /nfs/dbraw/zinc/03/34/67/1094033467.db2.gz IIIULBLUDQXTDW-RTBURBONSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001440820333 1094072797 /nfs/dbraw/zinc/07/27/97/1094072797.db2.gz YLONPQPWIAXDCW-JKSUJKDBSA-N 2 0 349.523 2.058 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001440923013 1094177034 /nfs/dbraw/zinc/17/70/34/1094177034.db2.gz HWFLGLHRYUVVGS-CRAIPNDOSA-N 2 0 347.478 2.412 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440997033 1094266776 /nfs/dbraw/zinc/26/67/76/1094266776.db2.gz HBXYXMOCQAXGPW-HOTGVXAUSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001441038187 1094332909 /nfs/dbraw/zinc/33/29/09/1094332909.db2.gz POWARZQRNSMZNH-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccnc2C)C1)[NH+](CC)CC ZINC001441183562 1094540114 /nfs/dbraw/zinc/54/01/14/1094540114.db2.gz LHGOTNUOPPCUHE-VQIMIIECSA-N 2 0 346.519 2.447 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[NH+](CC)CC ZINC001441410773 1094989934 /nfs/dbraw/zinc/98/99/34/1094989934.db2.gz FOQINJKLOXUQQG-ULQDDVLXSA-N 2 0 336.455 2.078 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001441474030 1095140316 /nfs/dbraw/zinc/14/03/16/1095140316.db2.gz PASUCUARNFUQRY-OALUTQOASA-N 2 0 346.519 2.365 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3C[N@H+](CC4CCC4)CC[C@H]32)CC1 ZINC001441486477 1095161391 /nfs/dbraw/zinc/16/13/91/1095161391.db2.gz XGFHNKMANVZFOQ-ZWKOTPCHSA-N 2 0 333.520 2.441 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001441546207 1095270107 /nfs/dbraw/zinc/27/01/07/1095270107.db2.gz FJSINDLWVDECJL-KFWWJZLASA-N 2 0 331.451 2.389 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001441649918 1095602908 /nfs/dbraw/zinc/60/29/08/1095602908.db2.gz BZEPOPQEJOGEFK-GXTWGEPZSA-N 2 0 341.858 2.367 10 0 EEAERP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001441880830 1096003926 /nfs/dbraw/zinc/00/39/26/1096003926.db2.gz SPXHYEUZSQIULO-YVNXIIFDSA-N 2 0 325.884 2.051 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001442045524 1096255940 /nfs/dbraw/zinc/25/59/40/1096255940.db2.gz HLQOLQRXDUPZDC-NVXWUHKLSA-N 2 0 333.476 2.020 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056062 1096269033 /nfs/dbraw/zinc/26/90/33/1096269033.db2.gz ASQZMPFTVWPMOK-NVXWUHKLSA-N 2 0 349.523 2.107 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001442112458 1096342915 /nfs/dbraw/zinc/34/29/15/1096342915.db2.gz WZWAOKHHMMJJBK-WMZOPIPTSA-N 2 0 333.451 2.344 10 0 EEAERP Cc1cnc([C@H](C)[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001442208577 1096496524 /nfs/dbraw/zinc/49/65/24/1096496524.db2.gz FXHXUTLYYLOAPI-IRXDYDNUSA-N 2 0 347.507 2.109 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001442248752 1096549213 /nfs/dbraw/zinc/54/92/13/1096549213.db2.gz DVDTVGCNTKJWIM-FEPKRQSRSA-N 2 0 335.414 2.248 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1ccccc1F ZINC001442251459 1096552640 /nfs/dbraw/zinc/55/26/40/1096552640.db2.gz FMGLBLFRDOOGOY-BFYDXBDKSA-N 2 0 335.467 2.193 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001442251584 1096553149 /nfs/dbraw/zinc/55/31/49/1096553149.db2.gz GKUUOOOCQZNNPD-DNVCBOLYSA-N 2 0 347.478 2.460 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442382496 1096705159 /nfs/dbraw/zinc/70/51/59/1096705159.db2.gz UDZIVRFLNZTQPK-SJORKVTESA-N 2 0 335.879 2.470 10 0 EEAERP C[N@H+](CCCc1cccc(F)c1)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001442400857 1096721465 /nfs/dbraw/zinc/72/14/65/1096721465.db2.gz IPQURBKACIYPDQ-IBGZPJMESA-N 2 0 347.478 2.148 10 0 EEAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442909788 1097315566 /nfs/dbraw/zinc/31/55/66/1097315566.db2.gz KMKFWLUJSSHOMV-HZPDHXFCSA-N 2 0 333.451 2.421 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001442911936 1097318540 /nfs/dbraw/zinc/31/85/40/1097318540.db2.gz WCFDJQPFHUIZEU-VQIMIIECSA-N 2 0 329.488 2.452 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001443417306 1097919151 /nfs/dbraw/zinc/91/91/51/1097919151.db2.gz YJCKPDNLILIEKV-AEFFLSMTSA-N 2 0 333.451 2.345 10 0 EEAERP CCc1ccccc1C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001443631111 1098125791 /nfs/dbraw/zinc/12/57/91/1098125791.db2.gz WGDOPCOPVHMNJP-INIZCTEOSA-N 2 0 329.488 2.139 10 0 EEAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1c(C)nsc1C ZINC001443934066 1098453828 /nfs/dbraw/zinc/45/38/28/1098453828.db2.gz NHAIVSFOYFQICT-AWEZNQCLSA-N 2 0 338.521 2.229 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C2CC2)no1 ZINC001444034247 1098553800 /nfs/dbraw/zinc/55/38/00/1098553800.db2.gz KHJAVRMLBPMBRH-MAUKXSAKSA-N 2 0 348.491 2.411 10 0 EEAERP CN(C(=O)NC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001479490574 1098563464 /nfs/dbraw/zinc/56/34/64/1098563464.db2.gz KURRHQYGCSEASA-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP Cc1csc(C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)n1 ZINC001444093039 1098624941 /nfs/dbraw/zinc/62/49/41/1098624941.db2.gz YYXGSUGDURGDGF-UHFFFAOYSA-N 2 0 336.505 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C[NH2+]Cc2ccon2)CCCC[C@@H]1C ZINC001444153468 1098696234 /nfs/dbraw/zinc/69/62/34/1098696234.db2.gz MDQXWOSMYXYCDR-MAUKXSAKSA-N 2 0 336.480 2.170 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H](C)F)CC2)CC[N@@H+]1C ZINC001444174825 1098726590 /nfs/dbraw/zinc/72/65/90/1098726590.db2.gz LNVRQMWMYREQLJ-QUSNUVHPSA-N 2 0 327.488 2.482 10 0 EEAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001479693493 1098760831 /nfs/dbraw/zinc/76/08/31/1098760831.db2.gz ZOBGDBRWNXPHPD-SFHVURJKSA-N 2 0 349.523 2.219 10 0 EEAERP C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001479772844 1098944749 /nfs/dbraw/zinc/94/47/49/1098944749.db2.gz ZGPIAYLLFKAZPO-JUIXODQZSA-N 2 0 341.499 2.480 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001479815172 1099084515 /nfs/dbraw/zinc/08/45/15/1099084515.db2.gz AOGNDVFWBLIUFN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479888141 1099261071 /nfs/dbraw/zinc/26/10/71/1099261071.db2.gz YLUHFJOLBQAQBK-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001479906082 1099294718 /nfs/dbraw/zinc/29/47/18/1099294718.db2.gz LPAKUWILSVSSAR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC001444540005 1099319724 /nfs/dbraw/zinc/31/97/24/1099319724.db2.gz YAEFXGUWBSLBAU-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP O=C(NC[C@H]([NH2+]CCCc1ccsc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001480060720 1099586804 /nfs/dbraw/zinc/58/68/04/1099586804.db2.gz VEQLJISAIWNSBF-KRWDZBQOSA-N 2 0 347.528 2.261 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001480060667 1099587213 /nfs/dbraw/zinc/58/72/13/1099587213.db2.gz ULTRWJUMFWSDLB-ICSRJNTNSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444759519 1099644898 /nfs/dbraw/zinc/64/48/98/1099644898.db2.gz NLLWYYYPJXQISC-HKUYNNGSSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)o1 ZINC001444779731 1099682871 /nfs/dbraw/zinc/68/28/71/1099682871.db2.gz RVSMVISHZNLGNL-INIZCTEOSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)n1 ZINC001444792111 1099704780 /nfs/dbraw/zinc/70/47/80/1099704780.db2.gz QXCBOPAUNOBHHT-AEFFLSMTSA-N 2 0 349.523 2.131 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc3ccc(F)cc3o2)C1 ZINC001480154352 1099725097 /nfs/dbraw/zinc/72/50/97/1099725097.db2.gz IBJKBJJUYPLSEJ-HDJSIYSDSA-N 2 0 348.422 2.046 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480219680 1099837191 /nfs/dbraw/zinc/83/71/91/1099837191.db2.gz IBNHHYCSRJRBLK-XLMAVXFVSA-N 2 0 337.508 2.055 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001480302635 1100020404 /nfs/dbraw/zinc/02/04/04/1100020404.db2.gz LYPFOOVSUYPYSG-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1C)C(C)C ZINC001444938137 1100047045 /nfs/dbraw/zinc/04/70/45/1100047045.db2.gz JPOIMTHRQBOLTN-MOPGFXCFSA-N 2 0 346.519 2.495 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001445026080 1100188004 /nfs/dbraw/zinc/18/80/04/1100188004.db2.gz IOENIDVLWNFEQD-MRXNPFEDSA-N 2 0 347.503 2.488 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001480408118 1100223646 /nfs/dbraw/zinc/22/36/46/1100223646.db2.gz LZZZNTXCGPRCQV-UHFFFAOYSA-N 2 0 334.464 2.021 10 0 EEAERP CC(C)[C@H](C(=O)NC1CCC([NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001480412323 1100231572 /nfs/dbraw/zinc/23/15/72/1100231572.db2.gz GJPISVZOMVJXHU-OFLPRAFFSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001480562519 1100405161 /nfs/dbraw/zinc/40/51/61/1100405161.db2.gz QEJYVUNWLITXEI-MRXNPFEDSA-N 2 0 346.519 2.413 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)oc2C)C[C@H]1C ZINC001446420560 1100832464 /nfs/dbraw/zinc/83/24/64/1100832464.db2.gz OQUORNZRYBXEHY-CJNGLKHVSA-N 2 0 336.480 2.102 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001495277309 1100974283 /nfs/dbraw/zinc/97/42/83/1100974283.db2.gz CHZBTMVOQYOBPA-AWEZNQCLSA-N 2 0 335.414 2.155 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496415376 1101008505 /nfs/dbraw/zinc/00/85/05/1101008505.db2.gz TWMQKECAVQPQEQ-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001496418953 1101012648 /nfs/dbraw/zinc/01/26/48/1101012648.db2.gz MCNGMULVFZVLOS-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001496463645 1101055527 /nfs/dbraw/zinc/05/55/27/1101055527.db2.gz TUAHOKHTXZPOQB-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001446577200 1101063992 /nfs/dbraw/zinc/06/39/92/1101063992.db2.gz DPJGTDXVOLQOJW-APWZRJJASA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)cs1 ZINC001446599724 1101094637 /nfs/dbraw/zinc/09/46/37/1101094637.db2.gz DLNAXQVRVADMSZ-SFHVURJKSA-N 2 0 335.517 2.481 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)CCO1 ZINC001495495017 1101204647 /nfs/dbraw/zinc/20/46/47/1101204647.db2.gz LBSPDXRZDXPJFC-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1ccncc1C[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001495530979 1101244192 /nfs/dbraw/zinc/24/41/92/1101244192.db2.gz KNRLPPPZZVYURM-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681604 1101429167 /nfs/dbraw/zinc/42/91/67/1101429167.db2.gz HRWKBCIOFPXXKP-APHBMKBZSA-N 2 0 330.407 2.194 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001496028723 1101952128 /nfs/dbraw/zinc/95/21/28/1101952128.db2.gz SXKMWNRNCBDKEL-MAUKXSAKSA-N 2 0 335.467 2.289 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001447122395 1102030195 /nfs/dbraw/zinc/03/01/95/1102030195.db2.gz BHCCRZIFCJCZJU-JYJNAYRXSA-N 2 0 325.472 2.142 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497193801 1102105779 /nfs/dbraw/zinc/10/57/79/1102105779.db2.gz KCGMEAQUCFXKEL-IIDMSEBBSA-N 2 0 342.487 2.493 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1)[NH+]1CCCCCC1 ZINC001497275144 1102236237 /nfs/dbraw/zinc/23/62/37/1102236237.db2.gz GNMURNPKVKEIQM-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497306921 1102288643 /nfs/dbraw/zinc/28/86/43/1102288643.db2.gz CHVXAWAIOQCOFD-KGLIPLIRSA-N 2 0 329.435 2.002 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](Cc3conc3C)C2)C1 ZINC001447449664 1102673267 /nfs/dbraw/zinc/67/32/67/1102673267.db2.gz ZYIPQCUMTPXJJQ-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001497598125 1102724486 /nfs/dbraw/zinc/72/44/86/1102724486.db2.gz ACLPMHYMFMKSKW-LHRDXKRPSA-N 2 0 333.451 2.462 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001447564575 1102872113 /nfs/dbraw/zinc/87/21/13/1102872113.db2.gz KTFSWMHVIJPFSL-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001447785190 1103337139 /nfs/dbraw/zinc/33/71/39/1103337139.db2.gz VLCREUVBMPGIBP-NVXWUHKLSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H](CCNC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001494057468 1103443194 /nfs/dbraw/zinc/44/31/94/1103443194.db2.gz UDIUCOBMRAVVRM-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccc1OC1CC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001447942687 1103653903 /nfs/dbraw/zinc/65/39/03/1103653903.db2.gz UZJCIWOXNRTTKY-CVEARBPZSA-N 2 0 345.487 2.306 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)C/C=C\c1ccccc1 ZINC001448136450 1104081627 /nfs/dbraw/zinc/08/16/27/1104081627.db2.gz QOYZBDDPSGKYJY-SKHCZCESSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cc(F)cc(F)c1 ZINC001448137215 1104082982 /nfs/dbraw/zinc/08/29/82/1104082982.db2.gz SRIVYYSOPPTDHU-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](C/C=C\c2ccc(Cl)cc2)C1 ZINC001494625612 1104209631 /nfs/dbraw/zinc/20/96/31/1104209631.db2.gz MOPPVKBILLGOGT-ARJAWSKDSA-N 2 0 347.890 2.497 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001494773386 1104355969 /nfs/dbraw/zinc/35/59/69/1104355969.db2.gz UWPVAPRGILGFDS-AHRSYUTCSA-N 2 0 343.515 2.322 10 0 EEAERP Cc1cccc(C[NH+]2CC([C@@H](C)NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001448315099 1104371829 /nfs/dbraw/zinc/37/18/29/1104371829.db2.gz FCBNMEYONUQJMP-DLBZAZTESA-N 2 0 329.488 2.273 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)o1 ZINC001494863576 1104469927 /nfs/dbraw/zinc/46/99/27/1104469927.db2.gz MZPZVOGIRFHFRP-INIZCTEOSA-N 2 0 336.480 2.056 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001495094332 1104733315 /nfs/dbraw/zinc/73/33/15/1104733315.db2.gz OLEKTHGWJSMSES-APWZRJJASA-N 2 0 345.487 2.043 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001480661406 1106837581 /nfs/dbraw/zinc/83/75/81/1106837581.db2.gz NNBZYLOGWPEVPP-GOSISDBHSA-N 2 0 329.488 2.009 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001480674913 1106862163 /nfs/dbraw/zinc/86/21/63/1106862163.db2.gz ASPCJEHRTTXPIN-GOSISDBHSA-N 2 0 346.519 2.368 10 0 EEAERP CC[C@@H](C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001480716798 1106953121 /nfs/dbraw/zinc/95/31/21/1106953121.db2.gz MZXYQSBVHFFBGK-APWZRJJASA-N 2 0 331.504 2.433 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001498150533 1106989015 /nfs/dbraw/zinc/98/90/15/1106989015.db2.gz GUNPKOIDJWAWPO-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001480793797 1107126235 /nfs/dbraw/zinc/12/62/35/1107126235.db2.gz MYSCCIGLSMFRGQ-ZBFHGGJFSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cscn1 ZINC001480794031 1107127786 /nfs/dbraw/zinc/12/77/86/1107127786.db2.gz USYXLPPGJCRHRO-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498249534 1107152516 /nfs/dbraw/zinc/15/25/16/1107152516.db2.gz ZBLWGZMCLHJMML-RDJZCZTQSA-N 2 0 333.476 2.034 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001493263318 1107807172 /nfs/dbraw/zinc/80/71/72/1107807172.db2.gz LBXFWWVCBMXGMH-HOTGVXAUSA-N 2 0 343.462 2.346 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498655989 1107906934 /nfs/dbraw/zinc/90/69/34/1107906934.db2.gz YAXZGAXXOMQOKI-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001465393024 1110416578 /nfs/dbraw/zinc/41/65/78/1110416578.db2.gz XBYQSKVMPCTQKD-QFBILLFUSA-N 2 0 343.515 2.322 10 0 EEAERP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3([NH+](C)C)CCCC3)nc2)C1 ZINC001466193276 1110431526 /nfs/dbraw/zinc/43/15/26/1110431526.db2.gz ZVTXIZIQKSYYHA-MRXNPFEDSA-N 2 0 345.491 2.035 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001479328499 1110681600 /nfs/dbraw/zinc/68/16/00/1110681600.db2.gz NZIAHKCVVARPSM-KSZLIROESA-N 2 0 339.524 2.159 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001479333649 1110682680 /nfs/dbraw/zinc/68/26/80/1110682680.db2.gz QBADNBZTXVZSOF-WOVMCDHWSA-N 2 0 335.467 2.460 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500160872 1112647348 /nfs/dbraw/zinc/64/73/48/1112647348.db2.gz FSRVYSNYGVBCSD-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](C[C@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001500226347 1112688208 /nfs/dbraw/zinc/68/82/08/1112688208.db2.gz AZQTXNBPLNYWJM-WMLDXEAASA-N 2 0 343.462 2.487 10 0 EEAERP C[C@@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402143 1112804900 /nfs/dbraw/zinc/80/49/00/1112804900.db2.gz NJSHVKOVYSSZTC-FQEVSTJZSA-N 2 0 329.488 2.153 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501091743 1113196191 /nfs/dbraw/zinc/19/61/91/1113196191.db2.gz QAYLVPNVWZSSJN-DZGCQCFKSA-N 2 0 338.521 2.118 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)C1CCC1 ZINC001501579046 1113389840 /nfs/dbraw/zinc/38/98/40/1113389840.db2.gz WONGLSZVJRYNFY-AWEZNQCLSA-N 2 0 343.462 2.344 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001501640684 1113411264 /nfs/dbraw/zinc/41/12/64/1113411264.db2.gz HRQSFRQWHIVOQK-ZBFHGGJFSA-N 2 0 338.521 2.058 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001501681579 1113432079 /nfs/dbraw/zinc/43/20/79/1113432079.db2.gz MLSUGUQTIMGFNI-LPHOPBHVSA-N 2 0 347.503 2.330 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001501964610 1113539741 /nfs/dbraw/zinc/53/97/41/1113539741.db2.gz ZFSFNDYEHSMQFB-QGZVFWFLSA-N 2 0 348.466 2.224 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001501968348 1113541210 /nfs/dbraw/zinc/54/12/10/1113541210.db2.gz MGIOVAPNMLAKQD-UHFFFAOYSA-N 2 0 348.516 2.148 10 0 EEAERP Cc1nocc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001502017825 1113560739 /nfs/dbraw/zinc/56/07/39/1113560739.db2.gz XJJVHHANGHCBTQ-WBVHZDCISA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502969728 1113865197 /nfs/dbraw/zinc/86/51/97/1113865197.db2.gz QEKGINDLYVYBNY-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C)C1CCCC1 ZINC001505444424 1113979259 /nfs/dbraw/zinc/97/92/59/1113979259.db2.gz AUMUJQFLOZTOBV-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001505621319 1114090384 /nfs/dbraw/zinc/09/03/84/1114090384.db2.gz FYYKPVIVSZNIMM-STQMWFEESA-N 2 0 339.430 2.432 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCc1cccs1 ZINC001505646492 1114106312 /nfs/dbraw/zinc/10/63/12/1114106312.db2.gz SBLWFNGDMNHPTR-GJZGRUSLSA-N 2 0 335.517 2.402 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506001662 1114333416 /nfs/dbraw/zinc/33/34/16/1114333416.db2.gz FWHDXCNJUYIBFC-SJORKVTESA-N 2 0 343.515 2.454 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001506491224 1114646621 /nfs/dbraw/zinc/64/66/21/1114646621.db2.gz QOWOHIUTRDLOGT-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC001506879338 1114946761 /nfs/dbraw/zinc/94/67/61/1114946761.db2.gz VRSIDUMEHLUNRX-LNLFQRSKSA-N 2 0 345.487 2.034 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001506987024 1115033427 /nfs/dbraw/zinc/03/34/27/1115033427.db2.gz LVQMCZQPNLNOPN-QGZVFWFLSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001507146875 1115133146 /nfs/dbraw/zinc/13/31/46/1115133146.db2.gz DRPHBEYDAWFGEP-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001507161420 1115141307 /nfs/dbraw/zinc/14/13/07/1115141307.db2.gz JYHMLOYIDFPAGO-ZDUSSCGKSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507318096 1115189678 /nfs/dbraw/zinc/18/96/78/1115189678.db2.gz HVAAPJFQCGEQGX-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)C[C@@H]1C ZINC001507329487 1115195718 /nfs/dbraw/zinc/19/57/18/1115195718.db2.gz VJWOOWIFUJLSJJ-YJBOKZPZSA-N 2 0 332.492 2.119 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001507342095 1115205149 /nfs/dbraw/zinc/20/51/49/1115205149.db2.gz UNGWOIYORYABMU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001507401864 1115252153 /nfs/dbraw/zinc/25/21/53/1115252153.db2.gz PZLPKLFEPCOVEJ-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001507412291 1115257047 /nfs/dbraw/zinc/25/70/47/1115257047.db2.gz VGYWNUMAHPAQRK-HUUCEWRRSA-N 2 0 336.480 2.124 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001507440037 1115270166 /nfs/dbraw/zinc/27/01/66/1115270166.db2.gz NGTADBSJKQDABE-JKSUJKDBSA-N 2 0 339.499 2.437 10 0 EEAERP CC(C)N(CCN(C)CCC(F)(F)F)C(=O)CCc1cncn1C ZINC001507864375 1115362303 /nfs/dbraw/zinc/36/23/03/1115362303.db2.gz ROQDLSLHBMSUAQ-UHFFFAOYSA-N 2 0 348.413 2.474 10 0 EEAERP Cc1cncc(C[NH+]2CCC([C@H](C)NC(=O)CC[NH+](C)C)CC2)c1 ZINC001508082376 1115415255 /nfs/dbraw/zinc/41/52/55/1115415255.db2.gz HASRKYNRVTTXHM-INIZCTEOSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001568076409 1124281586 /nfs/dbraw/zinc/28/15/86/1124281586.db2.gz NXITYMQKDDFYDI-IEBWSBKVSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCCOCC)CC1 ZINC001566609797 1124296376 /nfs/dbraw/zinc/29/63/76/1124296376.db2.gz OMJRDEUOLFLEJX-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC(CC[NH2+]C/C=C\Cl)CC2)CC1 ZINC001568092645 1124297395 /nfs/dbraw/zinc/29/73/95/1124297395.db2.gz YIXGCINAFNCALV-WAPJZHGLSA-N 2 0 327.900 2.299 10 0 EEAERP CC[C@H](C(=O)N1CCC2(C[NH+](CCCOC(C)C)C2)CC1)[NH+](C)C ZINC001568250426 1124385985 /nfs/dbraw/zinc/38/59/85/1124385985.db2.gz GMFXUSNQQLKOGT-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001568664510 1124678289 /nfs/dbraw/zinc/67/82/89/1124678289.db2.gz NIDPZOCZFQVBOH-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccsc1)C12CCC[NH+](CCC1)C2 ZINC001568870965 1124897342 /nfs/dbraw/zinc/89/73/42/1124897342.db2.gz IJUKWXONFXXHEV-OWOJBTEDSA-N 2 0 333.501 2.386 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001568903286 1124930648 /nfs/dbraw/zinc/93/06/48/1124930648.db2.gz YHNAECNWHXVEGP-JFDDCEBESA-N 2 0 336.505 2.006 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001569228709 1125181246 /nfs/dbraw/zinc/18/12/46/1125181246.db2.gz HGBDUUJSPKHSNL-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCF ZINC001569343806 1125244820 /nfs/dbraw/zinc/24/48/20/1125244820.db2.gz ZJGAAWDJEPXUGZ-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001565857303 1125437429 /nfs/dbraw/zinc/43/74/29/1125437429.db2.gz BWRCJWSDRNOSIL-IZAXUBKRSA-N 2 0 340.471 2.309 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(Br)ccc1F ZINC000422701510 536595163 /nfs/dbraw/zinc/59/51/63/536595163.db2.gz ITAGZGWIXDKNLV-CYBMUJFWSA-N 2 0 333.245 2.474 10 0 EEAERP NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092589399 539385345 /nfs/dbraw/zinc/38/53/45/539385345.db2.gz GMWZDVSVEDGEIX-SFHVURJKSA-N 2 0 345.487 2.391 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000037759718 202034028 /nfs/dbraw/zinc/03/40/28/202034028.db2.gz RQOVGIIYCKMCGK-CYBMUJFWSA-N 2 0 326.282 2.347 10 0 EEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000071188478 202341372 /nfs/dbraw/zinc/34/13/72/202341372.db2.gz HGYLZTXTIGZMGP-NHYWBVRUSA-N 2 0 344.272 2.472 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cn1 ZINC000422784010 240224668 /nfs/dbraw/zinc/22/46/68/240224668.db2.gz PCGGXVOLMVEHKM-GDAAHCPNSA-N 2 0 331.508 2.289 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422885249 240273082 /nfs/dbraw/zinc/27/30/82/240273082.db2.gz GPBSRRLWHCKJKT-IXDOHACOSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)CN(Cc2ccccc2)C1 ZINC000425355709 241136233 /nfs/dbraw/zinc/13/62/33/241136233.db2.gz PBCUJIRHHRSJJM-NZSAHSFTSA-N 2 0 329.488 2.355 10 0 EEAERP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042951846 204185424 /nfs/dbraw/zinc/18/54/24/204185424.db2.gz LLRMEHFSNCTKPE-CABCVRRESA-N 2 0 326.282 2.475 10 0 EEAERP CC[NH+]1CCN([C@@H](c2ccc(Br)cc2)[C@H](C)[NH3+])CC1 ZINC000042952220 204186311 /nfs/dbraw/zinc/18/63/11/204186311.db2.gz TYCIABZUZYAOMI-SWLSCSKDSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000129689188 205207193 /nfs/dbraw/zinc/20/71/93/205207193.db2.gz OTBSBVCTEIYMEB-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP C[NH+](C)[C@]1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCSC1 ZINC000267165783 256033987 /nfs/dbraw/zinc/03/39/87/256033987.db2.gz ZVNYXCRLGDQKOS-IBGZPJMESA-N 2 0 347.528 2.450 10 0 EEAERP NC(=O)N1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000113352546 292229852 /nfs/dbraw/zinc/22/98/52/292229852.db2.gz MEDPFUKCHPJTLI-UHFFFAOYSA-N 2 0 330.476 2.305 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000377329192 154144924 /nfs/dbraw/zinc/14/49/24/154144924.db2.gz FVLMKEWOQXHYHG-OAHLLOKOSA-N 2 0 333.480 2.078 10 0 EEAERP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262117343 160439947 /nfs/dbraw/zinc/43/99/47/160439947.db2.gz WYGXDYZONBWXHP-DBWMJRBXSA-N 2 0 331.460 2.028 10 0 EEAERP COc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1O ZINC000180150908 159932964 /nfs/dbraw/zinc/93/29/64/159932964.db2.gz IPXYTSKBQONILN-UHFFFAOYSA-N 2 0 347.503 2.441 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245611190 160244837 /nfs/dbraw/zinc/24/48/37/160244837.db2.gz BPDVXWBPBSWFBP-ZWKOTPCHSA-N 2 0 330.476 2.217 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000248132048 160339076 /nfs/dbraw/zinc/33/90/76/160339076.db2.gz WQKMFPKSWAKMAJ-KZNAEPCWSA-N 2 0 330.476 2.167 10 0 EEAERP COC(=O)CCC[NH+]1CCC(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000342789474 161091064 /nfs/dbraw/zinc/09/10/64/161091064.db2.gz BVAKQRBMEYMQCD-CALCHBBNSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)C(C)(C)C ZINC000343948975 161183418 /nfs/dbraw/zinc/18/34/18/161183418.db2.gz WGYULSOYADTDFR-LJQANCHMSA-N 2 0 333.520 2.143 10 0 EEAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442885 162136968 /nfs/dbraw/zinc/13/69/68/162136968.db2.gz ZAEJZTSQLIMYLK-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000352523102 162171481 /nfs/dbraw/zinc/17/14/81/162171481.db2.gz QYVIWKXVOSFDOK-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000352528271 162172793 /nfs/dbraw/zinc/17/27/93/162172793.db2.gz ARIBXCNSYZMXMR-INIZCTEOSA-N 2 0 326.529 2.384 10 0 EEAERP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCCC1 ZINC000356710627 163516429 /nfs/dbraw/zinc/51/64/29/163516429.db2.gz SZOSVNFZGFVUSG-MRXNPFEDSA-N 2 0 326.529 2.480 10 0 EEAERP Cc1n[nH]c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000278631357 269237675 /nfs/dbraw/zinc/23/76/75/269237675.db2.gz GWIOHTSOONZMFN-NNZMDNLPSA-N 2 0 325.460 2.441 10 0 EEAERP C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCCC[NH2+]1 ZINC000180985146 280146696 /nfs/dbraw/zinc/14/66/96/280146696.db2.gz QCHZSDLZSOZCDF-LJQANCHMSA-N 2 0 333.451 2.439 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC2CCC1CC2 ZINC000426500563 289114007 /nfs/dbraw/zinc/11/40/07/289114007.db2.gz NYFNGQJVYMVIPZ-ABHNRTSZSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1c[nH+]ccc1N ZINC000423027437 290063701 /nfs/dbraw/zinc/06/37/01/290063701.db2.gz OZMWDTUBVSLUTB-DZGCQCFKSA-N 2 0 326.448 2.203 10 0 EEAERP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000293561294 293240172 /nfs/dbraw/zinc/24/01/72/293240172.db2.gz APJHRWXYYOYSIE-HNNXBMFYSA-N 2 0 339.505 2.251 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000173326236 297257339 /nfs/dbraw/zinc/25/73/39/297257339.db2.gz VGGKQYVBMFUREN-NJAFHUGGSA-N 2 0 332.492 2.413 10 0 EEAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000345477662 297261144 /nfs/dbraw/zinc/26/11/44/297261144.db2.gz WZKZOJKVTUIKBS-AQEOSJORSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166532551 311391446 /nfs/dbraw/zinc/39/14/46/311391446.db2.gz KAYDIIHTGBESFU-WSTZPKSXSA-N 2 0 331.504 2.380 10 0 EEAERP C[N@H+](CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416879016 313346062 /nfs/dbraw/zinc/34/60/62/313346062.db2.gz WTBXKFHSYFEBHM-HXUWFJFHSA-N 2 0 344.503 2.294 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000416891877 313351559 /nfs/dbraw/zinc/35/15/59/313351559.db2.gz VSVILVXIWLXYEN-MAUKXSAKSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416895766 313352733 /nfs/dbraw/zinc/35/27/33/313352733.db2.gz OIDGWXLRMFUAMP-LJQANCHMSA-N 2 0 344.503 2.423 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000416928252 313363412 /nfs/dbraw/zinc/36/34/12/313363412.db2.gz ULTLHYICTDJHKR-GRDNDAEWSA-N 2 0 336.480 2.113 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416959310 313372349 /nfs/dbraw/zinc/37/23/49/313372349.db2.gz YTGPJMQHDKAESX-OAGGEKHMSA-N 2 0 348.491 2.005 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccco1 ZINC000418173568 313735535 /nfs/dbraw/zinc/73/55/35/313735535.db2.gz YOQATUYSIVLLSK-ZJIFWQFVSA-N 2 0 334.464 2.102 10 0 EEAERP CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000418203745 313747914 /nfs/dbraw/zinc/74/79/14/313747914.db2.gz KOIDYOSXQQKZKH-CPUCHLNUSA-N 2 0 336.480 2.111 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1)CC1CC1 ZINC000528434000 317385565 /nfs/dbraw/zinc/38/55/65/317385565.db2.gz XSXOZCJHEIXQKX-IBGZPJMESA-N 2 0 338.536 2.486 10 0 EEAERP CN(CCC(=O)N1CC[N@H+](C)CC12CCCCC2)c1cc[nH+]cc1 ZINC000543712549 318167472 /nfs/dbraw/zinc/16/74/72/318167472.db2.gz DCCBORSHHMAVHK-UHFFFAOYSA-N 2 0 330.476 2.385 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)ccc21 ZINC000557191660 318673855 /nfs/dbraw/zinc/67/38/55/318673855.db2.gz RCCFZEDXLIMRQD-FQEVSTJZSA-N 2 0 340.471 2.206 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000564667741 319099728 /nfs/dbraw/zinc/09/97/28/319099728.db2.gz WTQIANKHNUJJOY-LPHOPBHVSA-N 2 0 329.488 2.281 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000565550624 319193674 /nfs/dbraw/zinc/19/36/74/319193674.db2.gz RMDZPXMHCXZVLB-ROUUACIJSA-N 2 0 329.488 2.309 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771826 319212542 /nfs/dbraw/zinc/21/25/42/319212542.db2.gz HWHLJTWEKPCIRX-WEOZKBJRSA-N 2 0 345.487 2.225 10 0 EEAERP OC[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@H]1CCOC1 ZINC000567109931 319349222 /nfs/dbraw/zinc/34/92/22/319349222.db2.gz IVQBWMVWAIDZAT-SLFFLAALSA-N 2 0 344.499 2.418 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCC[NH2+]1 ZINC000573912493 319977848 /nfs/dbraw/zinc/97/78/48/319977848.db2.gz YDRSZCDRWSZXFC-APHBMKBZSA-N 2 0 329.423 2.129 10 0 EEAERP CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577117187 320233413 /nfs/dbraw/zinc/23/34/13/320233413.db2.gz PYRMQXOLXGKHBF-KRWDZBQOSA-N 2 0 329.488 2.461 10 0 EEAERP Cc1c(Cl)c(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)nn1C ZINC000578125929 320296022 /nfs/dbraw/zinc/29/60/22/320296022.db2.gz NTEIGJQJRCTYHJ-UHFFFAOYSA-N 2 0 334.855 2.141 10 0 EEAERP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000183608156 323412069 /nfs/dbraw/zinc/41/20/69/323412069.db2.gz UCTZTUOMUBMQJL-SFHVURJKSA-N 2 0 347.528 2.497 10 0 EEAERP Cc1cccc2nc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000581744539 324315091 /nfs/dbraw/zinc/31/50/91/324315091.db2.gz ZISNYQZUHWDFPM-MRXNPFEDSA-N 2 0 327.432 2.021 10 0 EEAERP [NH3+]CCOc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000581775252 324319944 /nfs/dbraw/zinc/31/99/44/324319944.db2.gz ACYJOJHCHNYCJG-UHFFFAOYSA-N 2 0 332.448 2.163 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccc2ccccc2c1 ZINC000581874310 324333241 /nfs/dbraw/zinc/33/32/41/324333241.db2.gz FDYKZZISWVGPAE-LJQANCHMSA-N 2 0 338.455 2.329 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000230116259 464202333 /nfs/dbraw/zinc/20/23/33/464202333.db2.gz FBUNIAVFLFWQKH-JKSUJKDBSA-N 2 0 334.464 2.198 10 0 EEAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339251261 465167847 /nfs/dbraw/zinc/16/78/47/465167847.db2.gz BTZWGSSEUKBQTH-OAGGEKHMSA-N 2 0 332.492 2.239 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000355351664 465242851 /nfs/dbraw/zinc/24/28/51/465242851.db2.gz MMELPXYAJJWALC-ADKAHSJRSA-N 2 0 334.508 2.273 10 0 EEAERP CCOC(=O)COCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000351603858 465248409 /nfs/dbraw/zinc/24/84/09/465248409.db2.gz BIJXKHHDKYMFSY-YRWFTTLQSA-N 2 0 348.487 2.312 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113593000 462604147 /nfs/dbraw/zinc/60/41/47/462604147.db2.gz QGRANGRCCYANJG-SQNIBIBYSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000113583557 462604743 /nfs/dbraw/zinc/60/47/43/462604743.db2.gz YNNITHVYIXDUHU-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000535787781 468331105 /nfs/dbraw/zinc/33/11/05/468331105.db2.gz IQZNGVPHZCASHG-HOTGVXAUSA-N 2 0 330.476 2.157 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000054509976 463240167 /nfs/dbraw/zinc/24/01/67/463240167.db2.gz KRWBVTWZINJVHG-AEFFLSMTSA-N 2 0 332.492 2.320 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000170862330 463725203 /nfs/dbraw/zinc/72/52/03/463725203.db2.gz NDQXENHHXJRDQW-CVEARBPZSA-N 2 0 334.464 2.152 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000261688646 463828053 /nfs/dbraw/zinc/82/80/53/463828053.db2.gz NLSMSFGVKOSPQZ-KDOFPFPSSA-N 2 0 333.451 2.467 10 0 EEAERP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC000261802033 463865702 /nfs/dbraw/zinc/86/57/02/463865702.db2.gz GZYWIICQHSPUAI-MRXNPFEDSA-N 2 0 334.533 2.429 10 0 EEAERP Cc1ccc2nc(CSCC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cn2c1 ZINC000171880598 463940585 /nfs/dbraw/zinc/94/05/85/463940585.db2.gz BZKQRPHOLYTZIQ-MRXNPFEDSA-N 2 0 344.484 2.183 10 0 EEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(F)cc1 ZINC000178750170 463962988 /nfs/dbraw/zinc/96/29/88/463962988.db2.gz STIKBICGSDETCT-QGZVFWFLSA-N 2 0 330.407 2.111 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262201666 463971176 /nfs/dbraw/zinc/97/11/76/463971176.db2.gz KLIUFADUMACDMS-TXPKVOOTSA-N 2 0 345.487 2.336 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179152217 464068219 /nfs/dbraw/zinc/06/82/19/464068219.db2.gz IVOSDGAPYGIEKB-CGTJXYLNSA-N 2 0 332.492 2.461 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245627497 464500715 /nfs/dbraw/zinc/50/07/15/464500715.db2.gz GVVUYEQVZYCKED-OALUTQOASA-N 2 0 344.503 2.415 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000246483096 464590569 /nfs/dbraw/zinc/59/05/69/464590569.db2.gz VWASFLQCRCUNJT-KURKYZTESA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000182344894 464632185 /nfs/dbraw/zinc/63/21/85/464632185.db2.gz QADCFJMMXHFETI-YLJYHZDGSA-N 2 0 334.504 2.005 10 0 EEAERP C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248641746 464778340 /nfs/dbraw/zinc/77/83/40/464778340.db2.gz CRKZZEMBPLWESN-RDJZCZTQSA-N 2 0 332.492 2.139 10 0 EEAERP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226118 465655966 /nfs/dbraw/zinc/65/59/66/465655966.db2.gz AOTDPARFHXFWCF-MSOLQXFVSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000353269553 465760819 /nfs/dbraw/zinc/76/08/19/465760819.db2.gz IQHAFZYXADNFTB-WTGUMLROSA-N 2 0 337.552 2.443 10 0 EEAERP CCc1cnccc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361133632 465789917 /nfs/dbraw/zinc/78/99/17/465789917.db2.gz YPEWGVHLWNGCNB-AWEZNQCLSA-N 2 0 330.476 2.038 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000346171086 465960145 /nfs/dbraw/zinc/96/01/45/465960145.db2.gz NVTDIDLGAMEPIQ-QFBILLFUSA-N 2 0 325.460 2.492 10 0 EEAERP Cc1ccc(CC[C@H](C)[NH2+]C2CCN(CCN3CCOCC3)CC2)o1 ZINC000372047729 466135234 /nfs/dbraw/zinc/13/52/34/466135234.db2.gz UALIDIIMZSZUES-KRWDZBQOSA-N 2 0 349.519 2.295 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361894922 466387998 /nfs/dbraw/zinc/38/79/98/466387998.db2.gz RJRBGODEUHDJLX-VAMGGRTRSA-N 2 0 337.552 2.445 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OC)n2)[C@@H](C)C1 ZINC000361925645 466413432 /nfs/dbraw/zinc/41/34/32/466413432.db2.gz ITUVEJWOAXEOCP-WMZOPIPTSA-N 2 0 335.492 2.359 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000358162235 466505831 /nfs/dbraw/zinc/50/58/31/466505831.db2.gz GKXMIULDTBEPFB-ROUUACIJSA-N 2 0 336.524 2.306 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423057613 466690730 /nfs/dbraw/zinc/69/07/30/466690730.db2.gz HNKGGUYPXYHJDK-OWQGQXMQSA-N 2 0 337.895 2.040 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415990027 466718154 /nfs/dbraw/zinc/71/81/54/466718154.db2.gz BUTLKDBRMNPVCO-CYBMUJFWSA-N 2 0 338.418 2.030 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416868426 466751199 /nfs/dbraw/zinc/75/11/99/466751199.db2.gz FNXOCTOTXUEOSY-QZTJIDSGSA-N 2 0 330.476 2.352 10 0 EEAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000423523943 466765982 /nfs/dbraw/zinc/76/59/82/466765982.db2.gz WKPWANLULKPDBT-ZLPCBKJTSA-N 2 0 345.487 2.325 10 0 EEAERP [NH3+]CCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000417545221 466881147 /nfs/dbraw/zinc/88/11/47/466881147.db2.gz OFYRIVVRKMSARV-UHFFFAOYSA-N 2 0 338.883 2.200 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC[C@@H]21 ZINC000376020507 466887020 /nfs/dbraw/zinc/88/70/20/466887020.db2.gz VVQDTGVYAUBJOB-BFWZDYSYSA-N 2 0 334.508 2.129 10 0 EEAERP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417930741 466989983 /nfs/dbraw/zinc/98/99/83/466989983.db2.gz BEYSKIWJKQOKMY-KURKYZTESA-N 2 0 330.476 2.215 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418384968 467103482 /nfs/dbraw/zinc/10/34/82/467103482.db2.gz PAHIYKKIASCKGU-SFHVURJKSA-N 2 0 332.492 2.107 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)C2)CC1 ZINC000418603912 467134307 /nfs/dbraw/zinc/13/43/07/467134307.db2.gz XBOORRUBWXFHMP-SQNIBIBYSA-N 2 0 336.524 2.138 10 0 EEAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418699554 467147704 /nfs/dbraw/zinc/14/77/04/467147704.db2.gz NYPTVNWSFSDJPI-KGLIPLIRSA-N 2 0 326.510 2.337 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000418753354 467155245 /nfs/dbraw/zinc/15/52/45/467155245.db2.gz VJZWYEAUFQUOFW-FGTMMUONSA-N 2 0 348.466 2.184 10 0 EEAERP CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418773093 467157496 /nfs/dbraw/zinc/15/74/96/467157496.db2.gz QCRYICFITNCRRN-RTBURBONSA-N 2 0 344.503 2.435 10 0 EEAERP C[N@H+](C[C@H](O)CNC[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000379652941 467369495 /nfs/dbraw/zinc/36/94/95/467369495.db2.gz YMQKIPIUBTZQSZ-VQTJNVASSA-N 2 0 331.504 2.086 10 0 EEAERP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380912695 467373179 /nfs/dbraw/zinc/37/31/79/467373179.db2.gz XKGVZCQYERZEKV-WOJBJXKFSA-N 2 0 337.467 2.289 10 0 EEAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000453119771 467461514 /nfs/dbraw/zinc/46/15/14/467461514.db2.gz MRTZVNLSMUMZLG-LJQANCHMSA-N 2 0 347.551 2.448 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404441711 467475580 /nfs/dbraw/zinc/47/55/80/467475580.db2.gz VCZNVIZZGYPMOC-FSNPWBFUSA-N 2 0 329.488 2.352 10 0 EEAERP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404452723 467475636 /nfs/dbraw/zinc/47/56/36/467475636.db2.gz ZOWRQFJFCDKNBZ-SFNKJDCFSA-N 2 0 329.488 2.496 10 0 EEAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000420813800 467488489 /nfs/dbraw/zinc/48/84/89/467488489.db2.gz HOBVDEIOKRYBCS-RCCFBDPRSA-N 2 0 330.476 2.167 10 0 EEAERP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)nn1 ZINC000415124918 467495945 /nfs/dbraw/zinc/49/59/45/467495945.db2.gz KMKLFGCZWVGHPG-GOSISDBHSA-N 2 0 341.459 2.363 10 0 EEAERP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449080965 467616838 /nfs/dbraw/zinc/61/68/38/467616838.db2.gz ARSUAFNBIHOSBT-RTBURBONSA-N 2 0 345.531 2.392 10 0 EEAERP COCC[N@H+](C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449112863 467618980 /nfs/dbraw/zinc/61/89/80/467618980.db2.gz TZXNYJASUPBODN-GOSISDBHSA-N 2 0 333.520 2.250 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000457363803 467808634 /nfs/dbraw/zinc/80/86/34/467808634.db2.gz PEANNOGRIFZODZ-BXWFABGCSA-N 2 0 344.503 2.026 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367675 467853499 /nfs/dbraw/zinc/85/34/99/467853499.db2.gz SZQREKKLGBSPNV-KRWDZBQOSA-N 2 0 336.524 2.425 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000530245459 467967604 /nfs/dbraw/zinc/96/76/04/467967604.db2.gz YMYWXHLPGQVTPN-MAUKXSAKSA-N 2 0 334.460 2.344 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000461792055 467969690 /nfs/dbraw/zinc/96/96/90/467969690.db2.gz XZYQHUNLJBIJCR-IXDOHACOSA-N 2 0 326.529 2.479 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(-c2cscn2)c1 ZINC000530880671 468015236 /nfs/dbraw/zinc/01/52/36/468015236.db2.gz CCFOIWIMCOCONU-UHFFFAOYSA-N 2 0 346.500 2.376 10 0 EEAERP CCOC(=O)C1CCC(O)(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000518966681 468132417 /nfs/dbraw/zinc/13/24/17/468132417.db2.gz WEDMQRACNJNTHW-UHFFFAOYSA-N 2 0 338.492 2.077 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567731183 468198281 /nfs/dbraw/zinc/19/82/81/468198281.db2.gz GXOCICNLAKZCSS-YJBOKZPZSA-N 2 0 330.476 2.129 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(CC[NH3+])CC3)cc2)CC1 ZINC000578543163 468215932 /nfs/dbraw/zinc/21/59/32/468215932.db2.gz YIPZAHGDYGRGMU-UHFFFAOYSA-N 2 0 344.503 2.030 10 0 EEAERP C[C@@H](CSCCF)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000595031221 468746144 /nfs/dbraw/zinc/74/61/44/468746144.db2.gz ATVRYEWEABVYFB-YOEHRIQHSA-N 2 0 326.481 2.434 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000595061841 468751293 /nfs/dbraw/zinc/75/12/93/468751293.db2.gz NGQNBXMXWXDJPB-PXAQALGRSA-N 2 0 339.549 2.347 10 0 EEAERP CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000571410918 468786045 /nfs/dbraw/zinc/78/60/45/468786045.db2.gz LRLGITAFEDPRLV-QGZVFWFLSA-N 2 0 329.488 2.317 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)o1 ZINC000615265554 469197600 /nfs/dbraw/zinc/19/76/00/469197600.db2.gz OZYBQSILRBRZQL-IAGOWNOFSA-N 2 0 349.475 2.057 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000573940218 469235565 /nfs/dbraw/zinc/23/55/65/469235565.db2.gz HQAHARNSSAVFAS-LJQANCHMSA-N 2 0 336.524 2.426 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000604179238 469461680 /nfs/dbraw/zinc/46/16/80/469461680.db2.gz REECLRPBAXLESD-GOSISDBHSA-N 2 0 332.492 2.162 10 0 EEAERP Clc1ccc(N2CCO[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000629520773 469571467 /nfs/dbraw/zinc/57/14/67/469571467.db2.gz MMNXIMUQAMGFMB-ONYGOOLBSA-N 2 0 335.879 2.418 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000617014058 469572442 /nfs/dbraw/zinc/57/24/42/469572442.db2.gz FFAPCHVUPHHAER-ZWKOTPCHSA-N 2 0 344.503 2.283 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000629538456 469573917 /nfs/dbraw/zinc/57/39/17/469573917.db2.gz MZUGUJPWHPCWEJ-ZCNNSNEGSA-N 3 0 331.504 2.385 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000623522916 469683824 /nfs/dbraw/zinc/68/38/24/469683824.db2.gz AUQCEELPCIMBKJ-AWEZNQCLSA-N 2 0 329.444 2.135 10 0 EEAERP C[NH+](C)C1CC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000629989687 469694886 /nfs/dbraw/zinc/69/48/86/469694886.db2.gz CITNBRPKSJKJRU-GHBBCFCZSA-N 2 0 341.499 2.353 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000623633395 469717364 /nfs/dbraw/zinc/71/73/64/469717364.db2.gz NNDAPQXWGNVUQT-FUHWJXTLSA-N 2 0 334.508 2.177 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626936138 469761756 /nfs/dbraw/zinc/76/17/56/469761756.db2.gz SKEXUNGOSFQKTO-KDURUIRLSA-N 2 0 336.524 2.140 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000626962784 469770787 /nfs/dbraw/zinc/77/07/87/469770787.db2.gz GINCVOAXVAYWCE-ARFHVFGLSA-N 2 0 334.464 2.165 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000627166130 469831041 /nfs/dbraw/zinc/83/10/41/469831041.db2.gz QQXJEWJKTAHZKR-RBUKOAKNSA-N 2 0 344.503 2.433 10 0 EEAERP c1n[nH]cc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000624215245 469877213 /nfs/dbraw/zinc/87/72/13/469877213.db2.gz ZFPHIOHYDGEYMX-UHFFFAOYSA-N 2 0 327.476 2.097 10 0 EEAERP CC[NH+](CC)CCSCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610425448 470013556 /nfs/dbraw/zinc/01/35/56/470013556.db2.gz XWZGGYBTCGPGCR-UHFFFAOYSA-N 2 0 333.461 2.281 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC[N@@H+]1C ZINC000630901239 470023833 /nfs/dbraw/zinc/02/38/33/470023833.db2.gz PGXSJBZYKFJZKN-JKSUJKDBSA-N 2 0 333.480 2.209 10 0 EEAERP C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000634639697 470272750 /nfs/dbraw/zinc/27/27/50/470272750.db2.gz NRSNOMQYPYOSCC-VQTJNVASSA-N 2 0 332.488 2.284 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768364 470303237 /nfs/dbraw/zinc/30/32/37/470303237.db2.gz GXEVYUGTHDHPBV-DYXWJJEUSA-N 2 0 341.499 2.357 10 0 EEAERP C[C@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000634770057 470304324 /nfs/dbraw/zinc/30/43/24/470304324.db2.gz YRYPEIFFXXFVFF-CAIZAGQASA-N 2 0 327.472 2.155 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453208 470702146 /nfs/dbraw/zinc/70/21/46/470702146.db2.gz OUTLOCIXMRHOME-ZIAGYGMSSA-N 2 0 327.419 2.135 10 0 EEAERP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccncc1 ZINC000647288243 470877277 /nfs/dbraw/zinc/87/72/77/470877277.db2.gz VFWGEPDSKDAYLN-ZWKOTPCHSA-N 2 0 332.492 2.346 10 0 EEAERP Cn1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccncc2)n1 ZINC000647480617 470911609 /nfs/dbraw/zinc/91/16/09/470911609.db2.gz VHMQMXPZVVGKRO-FUHWJXTLSA-N 2 0 325.460 2.446 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000644551478 470980700 /nfs/dbraw/zinc/98/07/00/470980700.db2.gz YJTNDZXUCITYSJ-NSHGMRRFSA-N 2 0 333.520 2.332 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000654486485 471037364 /nfs/dbraw/zinc/03/73/64/471037364.db2.gz SEGWCYFMELDFSR-GDAAHCPNSA-N 2 0 344.503 2.289 10 0 EEAERP O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657399710 471126227 /nfs/dbraw/zinc/12/62/27/471126227.db2.gz CQTYICIWJKDJEJ-MRXNPFEDSA-N 2 0 339.443 2.148 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638513473 471126441 /nfs/dbraw/zinc/12/64/41/471126441.db2.gz MIYVQUUOERYZRM-QRVBRYPASA-N 2 0 329.488 2.483 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638514272 471128382 /nfs/dbraw/zinc/12/83/82/471128382.db2.gz RUBZEPLFOFUOQN-MOPGFXCFSA-N 2 0 327.472 2.403 10 0 EEAERP CN(C(=O)N[C@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641027084 471167938 /nfs/dbraw/zinc/16/79/38/471167938.db2.gz ULIATMLEPZRAPQ-ZWKOTPCHSA-N 2 0 330.476 2.044 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657902343 471246685 /nfs/dbraw/zinc/24/66/85/471246685.db2.gz ZVQSXCYBTHUONU-MRXNPFEDSA-N 2 0 341.565 2.488 10 0 EEAERP [NH3+]C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000652211044 471256236 /nfs/dbraw/zinc/25/62/36/471256236.db2.gz SORBLHLFPGKCGZ-QGZVFWFLSA-N 2 0 326.444 2.268 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000652224730 471258254 /nfs/dbraw/zinc/25/82/54/471258254.db2.gz GSUCGMSPYXUKAT-QGZVFWFLSA-N 2 0 338.540 2.384 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000652288493 471267612 /nfs/dbraw/zinc/26/76/12/471267612.db2.gz LRLBDAZIODJYRE-MSOLQXFVSA-N 2 0 330.476 2.032 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CCCc2ccccc21 ZINC000663677959 471470669 /nfs/dbraw/zinc/47/06/69/471470669.db2.gz FHBHFGLAJKNLRL-GOSISDBHSA-N 2 0 346.519 2.289 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659036985 471479794 /nfs/dbraw/zinc/47/97/94/471479794.db2.gz UQAFWZMSQADKLG-YJBOKZPZSA-N 2 0 346.475 2.153 10 0 EEAERP C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659040691 471483374 /nfs/dbraw/zinc/48/33/74/471483374.db2.gz FXIGZFALJPBRBY-YJBOKZPZSA-N 2 0 346.475 2.201 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000655826003 471496226 /nfs/dbraw/zinc/49/62/26/471496226.db2.gz BNEHMTCFDGTRAB-TXEJJXNPSA-N 2 0 330.881 2.173 10 0 EEAERP CC[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000669485160 471515677 /nfs/dbraw/zinc/51/56/77/471515677.db2.gz UDLDAAMASRTQFW-YOEHRIQHSA-N 2 0 336.455 2.156 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655921526 471540742 /nfs/dbraw/zinc/54/07/42/471540742.db2.gz OLVUPSACPOSFNZ-ZDUSSCGKSA-N 2 0 346.397 2.086 10 0 EEAERP C[C@]1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565839 471560472 /nfs/dbraw/zinc/56/04/72/471560472.db2.gz LETRHDAHIHQUMI-AZUAARDMSA-N 2 0 344.503 2.482 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000669585447 471568117 /nfs/dbraw/zinc/56/81/17/471568117.db2.gz JMKQEDNSQRQJJW-RJFAQORQSA-N 2 0 348.535 2.314 10 0 EEAERP CC(C)c1cnc(NC(=O)NCCN(C)CCC[NH+](C)C)s1 ZINC000666886588 471573554 /nfs/dbraw/zinc/57/35/54/471573554.db2.gz ZAIHHPJXTKJVBM-UHFFFAOYSA-N 2 0 327.498 2.272 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380878 471598751 /nfs/dbraw/zinc/59/87/51/471598751.db2.gz GZNNKULUPHJNAI-NZSAHSFTSA-N 2 0 341.499 2.260 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000653477134 471631012 /nfs/dbraw/zinc/63/10/12/471631012.db2.gz GFNBXZIOQMMUQM-XHSDSOJGSA-N 2 0 334.464 2.056 10 0 EEAERP CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659573490 471682273 /nfs/dbraw/zinc/68/22/73/471682273.db2.gz OMLABKGLZSSRJE-QGZVFWFLSA-N 2 0 330.476 2.174 10 0 EEAERP CC[N@H+](CCC1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1)CC1CC1 ZINC000659615704 471699349 /nfs/dbraw/zinc/69/93/49/471699349.db2.gz PNHPFQSRVNIDME-UHFFFAOYSA-N 2 0 348.535 2.282 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000661305370 471709411 /nfs/dbraw/zinc/70/94/11/471709411.db2.gz QYHIHJPAJFUMEX-OAHLLOKOSA-N 2 0 329.448 2.254 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCc3nc[nH]c3C2)o1 ZINC000667427078 471775326 /nfs/dbraw/zinc/77/53/26/471775326.db2.gz VGKPMXAHPPFWGL-CQSZACIVSA-N 2 0 330.432 2.006 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667680975 471864803 /nfs/dbraw/zinc/86/48/03/471864803.db2.gz XWYMPPUSKCOJAZ-QRQLOZEOSA-N 2 0 342.487 2.146 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000664871090 471885815 /nfs/dbraw/zinc/88/58/15/471885815.db2.gz SSQGTWXWQUHYHZ-QAPCUYQASA-N 2 0 332.492 2.189 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654307813 471903467 /nfs/dbraw/zinc/90/34/67/471903467.db2.gz KJGSELIHZMNFSJ-QZTJIDSGSA-N 2 0 345.487 2.374 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)[C@H]1CCCO1 ZINC000667811440 471916264 /nfs/dbraw/zinc/91/62/64/471916264.db2.gz MGCQDQHDIQBAJU-RCCFBDPRSA-N 2 0 339.524 2.066 10 0 EEAERP CCCN(C[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662261489 472047389 /nfs/dbraw/zinc/04/73/89/472047389.db2.gz YHOMHLWNIGTVKW-WOJBJXKFSA-N 2 0 331.504 2.351 10 0 EEAERP c1ccc(C[N@H+]2CCN(C[C@H]3C[NH2+]CCO3)CC23CCCCC3)cc1 ZINC000662261841 472047686 /nfs/dbraw/zinc/04/76/86/472047686.db2.gz BFGNXUGJCHVJPP-HXUWFJFHSA-N 2 0 343.515 2.496 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662397474 472096384 /nfs/dbraw/zinc/09/63/84/472096384.db2.gz FCRRZUOUOCDTKF-MRXNPFEDSA-N 2 0 343.496 2.297 10 0 EEAERP CC(C)[NH+](CCCNC(=O)c1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000662485416 472124863 /nfs/dbraw/zinc/12/48/63/472124863.db2.gz GWLPURZLHUJRSP-UHFFFAOYSA-N 2 0 336.480 2.380 10 0 EEAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687179 472207122 /nfs/dbraw/zinc/20/71/22/472207122.db2.gz VKCVPHDRNOWJQX-ZKVVCRCRSA-N 2 0 329.444 2.207 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673863694 485560607 /nfs/dbraw/zinc/56/06/07/485560607.db2.gz TYFCHIMZYWEHPV-AWEZNQCLSA-N 2 0 328.420 2.262 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000673865382 485561252 /nfs/dbraw/zinc/56/12/52/485561252.db2.gz VJIXYZDXTVSSMB-CZUORRHYSA-N 2 0 328.420 2.214 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629545431 485731339 /nfs/dbraw/zinc/73/13/39/485731339.db2.gz MGRORFBLQLTCGP-OAHLLOKOSA-N 2 0 349.441 2.499 10 0 EEAERP C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000684962871 486047091 /nfs/dbraw/zinc/04/70/91/486047091.db2.gz FSPUCIXUVOYQBY-FCEWJHQRSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)C1CC[NH+](C)CC1 ZINC000684962875 486047897 /nfs/dbraw/zinc/04/78/97/486047897.db2.gz FSPUCIXUVOYQBY-TXPKVOOTSA-N 2 0 329.488 2.496 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn2cccc(F)c2n1 ZINC000685456085 486123724 /nfs/dbraw/zinc/12/37/24/486123724.db2.gz PMOOTIWHHFOCHY-KRWDZBQOSA-N 2 0 347.482 2.321 10 0 EEAERP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC([NH+](C)C)CC1 ZINC000681082444 486132762 /nfs/dbraw/zinc/13/27/62/486132762.db2.gz LZGUDXVWTMPLST-CQSZACIVSA-N 2 0 341.459 2.430 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC1(F)F ZINC000673206946 486294838 /nfs/dbraw/zinc/29/48/38/486294838.db2.gz HZSBFBOKEIGSQM-GJZGRUSLSA-N 2 0 346.466 2.232 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416157566 528283403 /nfs/dbraw/zinc/28/34/03/528283403.db2.gz DKRCJSIUAJFKIZ-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP Cc1cc(Br)cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000774992184 577425720 /nfs/dbraw/zinc/42/57/20/577425720.db2.gz NDTKDXPEHYVLSN-CQSZACIVSA-N 2 0 340.309 2.483 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC[C@H]1C[NH3+] ZINC000926033516 675716256 /nfs/dbraw/zinc/71/62/56/675716256.db2.gz YNGFXUTUTMWWAV-CVEARBPZSA-N 2 0 348.491 2.466 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCN1c1cc[nH+]cc1 ZINC000895556538 684641183 /nfs/dbraw/zinc/64/11/83/684641183.db2.gz JQFPEXHXFIJOMF-MRXNPFEDSA-N 2 0 334.427 2.373 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3cnnn3C)cc2)C[C@H](C)O1 ZINC000895740574 684704452 /nfs/dbraw/zinc/70/44/52/684704452.db2.gz WFOZDKZLMHNUGF-IYBDPMFKSA-N 2 0 343.475 2.056 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000925678556 684831051 /nfs/dbraw/zinc/83/10/51/684831051.db2.gz FVUTZQOXVVSEDN-STQMWFEESA-N 2 0 342.281 2.106 10 0 EEAERP COc1ccccc1C[C@H](C)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890279 694254794 /nfs/dbraw/zinc/25/47/94/694254794.db2.gz BADPOLSQINOTHT-RDJZCZTQSA-N 2 0 344.503 2.418 10 0 EEAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485510637 1191820576 /nfs/dbraw/zinc/82/05/76/1191820576.db2.gz NBLAHOPYLBNOKR-JSGCOSHPSA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](CC1=CCCCC1)CCO2 ZINC001485557409 1191835261 /nfs/dbraw/zinc/83/52/61/1191835261.db2.gz AJIRLGPYEMMHFG-HXUWFJFHSA-N 2 0 349.519 2.130 10 0 EEAERP Cc1ccncc1C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485582518 1191849100 /nfs/dbraw/zinc/84/91/00/1191849100.db2.gz QLPYNYKLLJQPBU-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001485651490 1191870938 /nfs/dbraw/zinc/87/09/38/1191870938.db2.gz UWBVCXUBNBWNQJ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001485804643 1191962616 /nfs/dbraw/zinc/96/26/16/1191962616.db2.gz MROLDRMVBFJAJW-ZWKOTPCHSA-N 2 0 333.451 2.247 10 0 EEAERP CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCF ZINC001670587109 1176930314 /nfs/dbraw/zinc/93/03/14/1176930314.db2.gz FUDUOZNQFIGBOY-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccnc(Cl)c1 ZINC001266699662 1177222979 /nfs/dbraw/zinc/22/29/79/1177222979.db2.gz LFYBAOWLEFHFNE-OAHLLOKOSA-N 2 0 338.883 2.156 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCCCC(F)(F)F)CC[N@@H+]1C ZINC001266706151 1177234741 /nfs/dbraw/zinc/23/47/41/1177234741.db2.gz DZLPXMQPSNQBTR-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)n1 ZINC001266741104 1177332644 /nfs/dbraw/zinc/33/26/44/1177332644.db2.gz KDYSEDIPZKQZGE-GJZGRUSLSA-N 2 0 336.505 2.016 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(F)c1Cl)[NH+](C)C ZINC001266836293 1177511960 /nfs/dbraw/zinc/51/19/60/1177511960.db2.gz MKBRBRBDOHUKOK-AWEZNQCLSA-N 2 0 329.847 2.367 10 0 EEAERP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691322139 1177907540 /nfs/dbraw/zinc/90/75/40/1177907540.db2.gz XNFLJLHHPGXIDC-SFHVURJKSA-N 2 0 349.906 2.272 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)s1 ZINC001267066722 1178180730 /nfs/dbraw/zinc/18/07/30/1178180730.db2.gz JLJLTMUWLXNHOR-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001267069124 1178185180 /nfs/dbraw/zinc/18/51/80/1178185180.db2.gz PDONKRNPISZHCQ-KRWDZBQOSA-N 2 0 335.517 2.215 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CCC[NH+]1CCCC1 ZINC001267109195 1178264352 /nfs/dbraw/zinc/26/43/52/1178264352.db2.gz DWBCUZXTHHEDPX-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CC[C@H]2CCOC2)C1 ZINC001267113034 1178271763 /nfs/dbraw/zinc/27/17/63/1178271763.db2.gz BZDPAAQTKYNRRB-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267163216 1178365976 /nfs/dbraw/zinc/36/59/76/1178365976.db2.gz OGCQWEWIAHFTJR-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1nocc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001267419348 1178985291 /nfs/dbraw/zinc/98/52/91/1178985291.db2.gz LURKGOLSVABRCY-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456474 1179038452 /nfs/dbraw/zinc/03/84/52/1179038452.db2.gz YKGJLGFRONACJF-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001481055939 1179642833 /nfs/dbraw/zinc/64/28/33/1179642833.db2.gz DSVLKEDTARVAEJ-ROUUACIJSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)CC[N@@H+]1C ZINC001481093495 1179723798 /nfs/dbraw/zinc/72/37/98/1179723798.db2.gz DTNZFCJAOANBBV-QLFBSQMISA-N 2 0 349.441 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001481120668 1179803764 /nfs/dbraw/zinc/80/37/64/1179803764.db2.gz IOJUZEHRODJKBS-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCOC2CCC2)C1 ZINC001279242423 1180413562 /nfs/dbraw/zinc/41/35/62/1180413562.db2.gz RVSSEGSKUBGDRW-CGZBRXJRSA-N 2 0 337.508 2.009 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CCCCOC)C2)CC1 ZINC001267974030 1180898732 /nfs/dbraw/zinc/89/87/32/1180898732.db2.gz KDEFPARQWNUYSI-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001481301830 1180960603 /nfs/dbraw/zinc/96/06/03/1180960603.db2.gz DBQWCJGIBWTWHE-MSOLQXFVSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481449799 1181379429 /nfs/dbraw/zinc/37/94/29/1181379429.db2.gz IALVEHWMTZDFHJ-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)on1 ZINC001268161459 1181875492 /nfs/dbraw/zinc/87/54/92/1181875492.db2.gz BNQHOBAROQTHTH-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001268166772 1181906808 /nfs/dbraw/zinc/90/68/08/1181906808.db2.gz UWIWSTOZUCBMFN-GOSISDBHSA-N 2 0 330.476 2.038 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001481655357 1182138888 /nfs/dbraw/zinc/13/88/88/1182138888.db2.gz XSHNLKPMPZMSKS-KRWDZBQOSA-N 2 0 347.478 2.148 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccn1 ZINC001268377712 1182394950 /nfs/dbraw/zinc/39/49/50/1182394950.db2.gz MOLQRZYWSCWOKD-AEFFLSMTSA-N 2 0 332.492 2.186 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001481867441 1182838807 /nfs/dbraw/zinc/83/88/07/1182838807.db2.gz CFJLEAZJIHBUDD-HUUCEWRRSA-N 2 0 343.462 2.392 10 0 EEAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479536 1182921990 /nfs/dbraw/zinc/92/19/90/1182921990.db2.gz LIQLDRXIQBFLRM-IEODJVTJSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1ccncc1C[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001481912856 1182936628 /nfs/dbraw/zinc/93/66/28/1182936628.db2.gz JTIXEDIKOGRYQK-UHFFFAOYSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001481933775 1182985492 /nfs/dbraw/zinc/98/54/92/1182985492.db2.gz PIVXNBPGPSTIKF-UYAOXDASSA-N 2 0 346.519 2.413 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@]2(C[NH2+]CCF)CCCC[C@@H]2C)CC1 ZINC001481961684 1183045029 /nfs/dbraw/zinc/04/50/29/1183045029.db2.gz NTWFXVFFRHEVTJ-WMZOPIPTSA-N 2 0 327.488 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001481989354 1183095609 /nfs/dbraw/zinc/09/56/09/1183095609.db2.gz KCYSGSFKQPEVHV-PMACEKPBSA-N 2 0 343.515 2.399 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1 ZINC001482023552 1183152983 /nfs/dbraw/zinc/15/29/83/1183152983.db2.gz VHUDJYUOTPENNJ-QAQDUYKDSA-N 2 0 333.476 2.034 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001482049774 1183239622 /nfs/dbraw/zinc/23/96/22/1183239622.db2.gz JTVSCKYSSFHSDZ-SFHVURJKSA-N 2 0 344.503 2.142 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482083910 1183307661 /nfs/dbraw/zinc/30/76/61/1183307661.db2.gz FTSBLCIIEYDGEA-LPHOPBHVSA-N 2 0 331.504 2.228 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001268621056 1183540380 /nfs/dbraw/zinc/54/03/80/1183540380.db2.gz YRAVIMPWQMVHKS-IYKSTZQJSA-N 2 0 325.403 2.067 10 0 EEAERP C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001268650873 1183580229 /nfs/dbraw/zinc/58/02/29/1183580229.db2.gz BRJDVHGLHVOHDB-LLVKDONJSA-N 2 0 327.363 2.005 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268801290 1183717076 /nfs/dbraw/zinc/71/70/76/1183717076.db2.gz DYERRJVZBPQVNV-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2cccnc2)C1 ZINC001268817447 1183737965 /nfs/dbraw/zinc/73/79/65/1183737965.db2.gz HMUPKBDAUHLINI-GOSISDBHSA-N 2 0 332.492 2.142 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001269147091 1184001457 /nfs/dbraw/zinc/00/14/57/1184001457.db2.gz DOSIXGDKUSMYDQ-QDLOVBKTSA-N 2 0 339.443 2.428 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001269177967 1184032661 /nfs/dbraw/zinc/03/26/61/1184032661.db2.gz VUXWQIPMBVWDEN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@](C[NH2+]CC=C(Cl)Cl)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269645947 1184472540 /nfs/dbraw/zinc/47/25/40/1184472540.db2.gz SARSGVMMPZDIGA-HNNXBMFYSA-N 2 0 346.302 2.276 10 0 EEAERP COCC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001269670274 1184491339 /nfs/dbraw/zinc/49/13/39/1184491339.db2.gz JUQNXABRCVNPEY-QFBILLFUSA-N 2 0 339.524 2.019 10 0 EEAERP CO[C@H](C)C[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001269894750 1184700378 /nfs/dbraw/zinc/70/03/78/1184700378.db2.gz AVEJAVYIYFZOGX-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001270308515 1185007235 /nfs/dbraw/zinc/00/72/35/1185007235.db2.gz IVZPOJDYJYLXHP-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482292587 1185129730 /nfs/dbraw/zinc/12/97/30/1185129730.db2.gz ROBFOLFQYATODE-ZDUSSCGKSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001270788209 1185388828 /nfs/dbraw/zinc/38/88/28/1185388828.db2.gz HCYKESHKAICHIJ-FQEVSTJZSA-N 2 0 347.503 2.154 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCCc2ccsc2)C1 ZINC001270788743 1185389691 /nfs/dbraw/zinc/38/96/91/1185389691.db2.gz LAMKXFSKDGOROS-SFHVURJKSA-N 2 0 337.533 2.461 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001482340563 1185439313 /nfs/dbraw/zinc/43/93/13/1185439313.db2.gz JMNNFIOVCILQEI-NWDGAFQWSA-N 2 0 349.504 2.298 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364259 1185518628 /nfs/dbraw/zinc/51/86/28/1185518628.db2.gz GBYZBZKXINPIJP-GDBMZVCRSA-N 2 0 337.895 2.271 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccn(CC)n1)[NH+](C)C ZINC001271600074 1186332693 /nfs/dbraw/zinc/33/26/93/1186332693.db2.gz NCPISMDOTAURHV-QZTJIDSGSA-N 2 0 349.523 2.104 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCC[NH+]1C ZINC001271977963 1186747201 /nfs/dbraw/zinc/74/72/01/1186747201.db2.gz WHHWHVIALYAUQE-OLZOCXBDSA-N 2 0 336.307 2.055 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001272790670 1193499975 /nfs/dbraw/zinc/49/99/75/1193499975.db2.gz KGWRHXVVZXEJNR-RYQLBKOJSA-N 2 0 349.523 2.179 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001482867873 1187788680 /nfs/dbraw/zinc/78/86/80/1187788680.db2.gz MKZIGBFFRCNHLR-OAHLLOKOSA-N 2 0 335.467 2.194 10 0 EEAERP CCN1CCO[C@H](C(=O)N[C@H](C)CC[NH2+]CC2CCCCCC2)C1 ZINC001482900937 1187813108 /nfs/dbraw/zinc/81/31/08/1187813108.db2.gz LUOHNIDTVNTQBS-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP CCN(CCNCc1ncc(C)s1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482923842 1187844020 /nfs/dbraw/zinc/84/40/20/1187844020.db2.gz HERGKZHCSPWWMO-HNNXBMFYSA-N 2 0 338.521 2.262 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482933157 1187852893 /nfs/dbraw/zinc/85/28/93/1187852893.db2.gz AQBHXUGLBUEIJT-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CCN(CC[NH2+]CCOC(C)C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482950299 1187889789 /nfs/dbraw/zinc/88/97/89/1187889789.db2.gz MGUNNJWFWQGJFI-SFHVURJKSA-N 2 0 345.503 2.062 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccc(Cl)cc1 ZINC001482991603 1187970301 /nfs/dbraw/zinc/97/03/01/1187970301.db2.gz SDPGTKJSMKKTOV-KYVUIXNKSA-N 2 0 335.879 2.239 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)sn1 ZINC001483013306 1187997198 /nfs/dbraw/zinc/99/71/98/1187997198.db2.gz ZATVFVKALQCZEK-AWFCHZOYSA-N 2 0 336.505 2.086 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483050692 1188293831 /nfs/dbraw/zinc/29/38/31/1188293831.db2.gz JZUUYYSRNGAJOX-CHYADLBTSA-N 2 0 325.472 2.405 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001272228187 1188457579 /nfs/dbraw/zinc/45/75/79/1188457579.db2.gz YUZARSLWRUHRMX-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ncc(C[NH2+]CC2CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)o1 ZINC001409274722 1188554333 /nfs/dbraw/zinc/55/43/33/1188554333.db2.gz FXXKFYNWIFJKEL-HTWSVDAQSA-N 2 0 348.491 2.088 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691628709 1188775192 /nfs/dbraw/zinc/77/51/92/1188775192.db2.gz AYTXGFFNJZXZKD-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866393 1193583714 /nfs/dbraw/zinc/58/37/14/1193583714.db2.gz WOWHURLUIDNSIG-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001272881666 1193591410 /nfs/dbraw/zinc/59/14/10/1193591410.db2.gz JZZNLYJSHPQBGS-ZBFHGGJFSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001409347880 1189558715 /nfs/dbraw/zinc/55/87/15/1189558715.db2.gz FAEDSJMZTWAWOC-GJZGRUSLSA-N 2 0 335.467 2.335 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001409383882 1189609093 /nfs/dbraw/zinc/60/90/93/1189609093.db2.gz GPVMCVMNVKYDBI-CABCVRRESA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409454787 1189703654 /nfs/dbraw/zinc/70/36/54/1189703654.db2.gz HIZPKAJVHAXLSV-CVEARBPZSA-N 2 0 347.507 2.077 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485956494 1193648481 /nfs/dbraw/zinc/64/84/81/1193648481.db2.gz XVPYBKKNTWWOBG-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001409654662 1190152788 /nfs/dbraw/zinc/15/27/88/1190152788.db2.gz UZNFVXCBYMIXMD-HOTGVXAUSA-N 2 0 345.487 2.289 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cccc2cccnc21 ZINC001409682605 1190182977 /nfs/dbraw/zinc/18/29/77/1190182977.db2.gz MUFWHNIKVMXGIZ-CRAIPNDOSA-N 2 0 340.471 2.123 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001483296686 1190319214 /nfs/dbraw/zinc/31/92/14/1190319214.db2.gz OORKDKXUZVVEPZ-LSDHHAIUSA-N 2 0 331.451 2.392 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)cc1C ZINC001483384916 1190433466 /nfs/dbraw/zinc/43/34/66/1190433466.db2.gz SUTLLFIASBTGSP-NVXWUHKLSA-N 2 0 347.503 2.282 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)c1 ZINC001483570855 1190559986 /nfs/dbraw/zinc/55/99/86/1190559986.db2.gz NDXOSDICEZHUBJ-RTBURBONSA-N 2 0 345.487 2.164 10 0 EEAERP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccc(F)c(F)c1 ZINC001483586176 1190571424 /nfs/dbraw/zinc/57/14/24/1190571424.db2.gz OEVDTMQKLBPYKC-PXAZEXFGSA-N 2 0 339.430 2.462 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001483615610 1190591530 /nfs/dbraw/zinc/59/15/30/1190591530.db2.gz OFURQQTUPJBLHO-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1ocnc1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001409819011 1190649328 /nfs/dbraw/zinc/64/93/28/1190649328.db2.gz RNNVMDHXWYHZJY-SJORKVTESA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccncc1C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001483744324 1190896610 /nfs/dbraw/zinc/89/66/10/1190896610.db2.gz UQDWKYYDKRLUSM-ZWKOTPCHSA-N 2 0 342.487 2.145 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272616603 1190932027 /nfs/dbraw/zinc/93/20/27/1190932027.db2.gz NVZFAEJMEOHYBU-SJORKVTESA-N 2 0 347.478 2.496 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001483911995 1191121659 /nfs/dbraw/zinc/12/16/59/1191121659.db2.gz MNBSKOPYYSXBTO-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCc2cccs2)C1 ZINC001484084007 1191205765 /nfs/dbraw/zinc/20/57/65/1191205765.db2.gz UHELHEFQRYNBMJ-SJLPKXTDSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](C/C=C/Cl)C1 ZINC001484175377 1191260861 /nfs/dbraw/zinc/26/08/61/1191260861.db2.gz WFFXKUYTGUKREK-LERPRCHQSA-N 2 0 325.884 2.053 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[N@H+](CC2CCC2)CCC1(F)F)[NH+](C)C ZINC001484197570 1191269161 /nfs/dbraw/zinc/26/91/61/1191269161.db2.gz ANSNSYNKNSWWFJ-LSDHHAIUSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(Cl)n1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484349166 1191313671 /nfs/dbraw/zinc/31/36/71/1191313671.db2.gz YZLURRAOEATPCN-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001484368700 1191320810 /nfs/dbraw/zinc/32/08/10/1191320810.db2.gz HLNRQAHASWQMFF-STQMWFEESA-N 2 0 348.318 2.474 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001484376578 1191321071 /nfs/dbraw/zinc/32/10/71/1191321071.db2.gz HFRJZMVRUUCPSF-ZBFHGGJFSA-N 2 0 337.895 2.476 10 0 EEAERP CC[C@H](C[NH2+]CC[C@H]1CCN(C(=O)c2cccc3nccn32)C1)OC ZINC001484530014 1191400081 /nfs/dbraw/zinc/40/00/81/1191400081.db2.gz OXOKHBBUCYBRSC-JKSUJKDBSA-N 2 0 344.459 2.201 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2csc(C)n2)C1)[NH+](C)C ZINC001484537651 1191404423 /nfs/dbraw/zinc/40/44/23/1191404423.db2.gz KDAZQMURECWZSZ-HOCLYGCPSA-N 2 0 338.521 2.120 10 0 EEAERP COCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001484654739 1191458076 /nfs/dbraw/zinc/45/80/76/1191458076.db2.gz WHDYEYODUIDILN-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001484700080 1191472284 /nfs/dbraw/zinc/47/22/84/1191472284.db2.gz XDMDSEWWURGOCO-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)s1 ZINC001484765578 1191520775 /nfs/dbraw/zinc/52/07/75/1191520775.db2.gz JXZZUHNOMPURCE-HNNXBMFYSA-N 2 0 338.521 2.074 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001484922848 1191576590 /nfs/dbraw/zinc/57/65/90/1191576590.db2.gz YGGSWYLHRIXJCB-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H](NCc1ncc(Cl)s1)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158038 1191673192 /nfs/dbraw/zinc/67/31/92/1191673192.db2.gz WUBMYEUWFHHLGV-GHMZBOCLSA-N 2 0 344.912 2.264 10 0 EEAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485185649 1191680501 /nfs/dbraw/zinc/68/05/01/1191680501.db2.gz IAODEQGJVGTILO-STQMWFEESA-N 2 0 339.430 2.289 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485185648 1191680666 /nfs/dbraw/zinc/68/06/66/1191680666.db2.gz IAODEQGJVGTILO-QWHCGFSZSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCOc1ccccc1 ZINC001485205458 1191692682 /nfs/dbraw/zinc/69/26/82/1191692682.db2.gz NZIQQJQOPSERRS-ROUUACIJSA-N 2 0 347.503 2.280 10 0 EEAERP COc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001485265296 1191710909 /nfs/dbraw/zinc/71/09/09/1191710909.db2.gz UELYXKVLNGDEDD-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)cs1 ZINC001486424848 1193938897 /nfs/dbraw/zinc/93/88/97/1193938897.db2.gz QLBLXKWAJPXPHG-HNNXBMFYSA-N 2 0 340.537 2.412 10 0 EEAERP CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1)OC ZINC001486437920 1193956690 /nfs/dbraw/zinc/95/66/90/1193956690.db2.gz OOSFFYTWGHTAMX-NJAFHUGGSA-N 2 0 341.540 2.214 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001486457320 1193978522 /nfs/dbraw/zinc/97/85/22/1193978522.db2.gz AWNZHWUBJJKMEB-NZRFRBMFSA-N 2 0 327.472 2.373 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(N(C)C)c2)C1)[NH+](C)C ZINC001486477033 1193990158 /nfs/dbraw/zinc/99/01/58/1193990158.db2.gz YKCPWNKDBJDVRI-KVZIAJEVSA-N 2 0 346.519 2.172 10 0 EEAERP CC[C@H](C(=O)NC1(C2CC[NH+](C/C=C/Cl)CC2)CC1)[NH+](C)C ZINC001486490527 1194002970 /nfs/dbraw/zinc/00/29/70/1194002970.db2.gz TYJZMULVVGEGBF-HYJLXUOHSA-N 2 0 327.900 2.440 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001273122948 1194405222 /nfs/dbraw/zinc/40/52/22/1194405222.db2.gz KJDKTKXDAYQYLI-LRDDRELGSA-N 2 0 327.419 2.289 10 0 EEAERP CN(C)c1ccccc1C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001410029249 1197472523 /nfs/dbraw/zinc/47/25/23/1197472523.db2.gz NNAGAUSFCVYCKG-SFHVURJKSA-N 2 0 346.519 2.031 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCc3ccccc3)CCC2)C1 ZINC001273200901 1197492641 /nfs/dbraw/zinc/49/26/41/1197492641.db2.gz IIOYCXFBWAIWAO-SFHVURJKSA-N 2 0 329.488 2.199 10 0 EEAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410167719 1197578643 /nfs/dbraw/zinc/57/86/43/1197578643.db2.gz SQSJRCAKMBCOFM-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001410179921 1197588107 /nfs/dbraw/zinc/58/81/07/1197588107.db2.gz LJITYDOKURYMIA-RYQLBKOJSA-N 2 0 327.488 2.247 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC001410218667 1197611666 /nfs/dbraw/zinc/61/16/66/1197611666.db2.gz PFBXHUIQBPIBLX-HAQNSBGRSA-N 2 0 329.897 2.338 10 0 EEAERP CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1)OC ZINC001410227093 1197617612 /nfs/dbraw/zinc/61/76/12/1197617612.db2.gz YRXMAQNDBMECML-TVFCKZIOSA-N 2 0 339.524 2.159 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001410234383 1197623054 /nfs/dbraw/zinc/62/30/54/1197623054.db2.gz RNRMTMOFDDJTMR-HAQNSBGRSA-N 2 0 344.912 2.121 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001410372058 1197763671 /nfs/dbraw/zinc/76/36/71/1197763671.db2.gz BZBDBMSUARKVHH-GDBMZVCRSA-N 2 0 336.480 2.048 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000872020521 1198028760 /nfs/dbraw/zinc/02/87/60/1198028760.db2.gz HWSFQAFTOCGBNG-SQNIBIBYSA-N 2 0 325.541 2.442 10 0 EEAERP CC(C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000872020520 1198028870 /nfs/dbraw/zinc/02/88/70/1198028870.db2.gz HWSFQAFTOCGBNG-OKZBNKHCSA-N 2 0 325.541 2.442 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872148043 1198056008 /nfs/dbraw/zinc/05/60/08/1198056008.db2.gz HGOJSYGCHCUPRI-SMDDNHRTSA-N 2 0 345.365 2.093 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)CS(C)(=O)=O ZINC000872158035 1198064038 /nfs/dbraw/zinc/06/40/38/1198064038.db2.gz SAAUPAQRXXZQEY-INMHGKMJSA-N 2 0 330.538 2.287 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)C2 ZINC000872263951 1198118042 /nfs/dbraw/zinc/11/80/42/1198118042.db2.gz XAOIQNDDKPPUMC-OGWHTMIXSA-N 2 0 347.890 2.101 10 0 EEAERP Cn1ncc2cc(C[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)cnc21 ZINC000865463536 1198231804 /nfs/dbraw/zinc/23/18/04/1198231804.db2.gz ALPXOOODNXXMNI-UHFFFAOYSA-N 2 0 327.407 2.459 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CC[NH+](C)C ZINC001410853621 1198504828 /nfs/dbraw/zinc/50/48/28/1198504828.db2.gz JTKLCBAPOZJDPP-YOEHRIQHSA-N 2 0 337.895 2.413 10 0 EEAERP CC[N@@H+]1CC[C@]2(NC(=O)CN(C)CCc3ccccc3)CCC[C@H]12 ZINC001410893581 1198548151 /nfs/dbraw/zinc/54/81/51/1198548151.db2.gz GXZXFNIARGYTQQ-AZUAARDMSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)C1 ZINC000870896703 1200938823 /nfs/dbraw/zinc/93/88/23/1200938823.db2.gz YJXPOHUXNZFOGI-DICRZQGBSA-N 2 0 343.471 2.473 10 0 EEAERP CCc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000866041103 1201412171 /nfs/dbraw/zinc/41/21/71/1201412171.db2.gz NWBNKNQHJBALTA-IAGOWNOFSA-N 2 0 332.492 2.452 10 0 EEAERP C[C@H](CCc1cccnc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000866235502 1201473371 /nfs/dbraw/zinc/47/33/71/1201473371.db2.gz FEMJLRQQDNIRPW-QGZVFWFLSA-N 2 0 339.487 2.339 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000868006735 1201724917 /nfs/dbraw/zinc/72/49/17/1201724917.db2.gz WVDHGUVIYKBYKP-RTBURBONSA-N 2 0 344.503 2.244 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868661352 1201854666 /nfs/dbraw/zinc/85/46/66/1201854666.db2.gz KZIYBQIJYNFPJR-SQNIBIBYSA-N 2 0 336.524 2.233 10 0 EEAERP CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000882393466 1201865017 /nfs/dbraw/zinc/86/50/17/1201865017.db2.gz ZLFQXCOTFLHNHL-GOSISDBHSA-N 2 0 330.476 2.251 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1nccs1 ZINC001691728004 1204234527 /nfs/dbraw/zinc/23/45/27/1204234527.db2.gz NPLWNWMRRSZJCD-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CCOCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001274090305 1204366918 /nfs/dbraw/zinc/36/69/18/1204366918.db2.gz YZHNELZCZRROQJ-GNAXCBTBSA-N 2 0 349.519 2.082 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1 ZINC001274132843 1204394265 /nfs/dbraw/zinc/39/42/65/1204394265.db2.gz DZYPVHFDKUERCC-IDOMTICXSA-N 2 0 337.414 2.211 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)C[C@]2(C)C1 ZINC000887920996 1204507478 /nfs/dbraw/zinc/50/74/78/1204507478.db2.gz NPNYDEQLBLUOQZ-BEFAXECRSA-N 2 0 331.460 2.289 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CCF)(c2ccccc2)CC1 ZINC001274488087 1205054625 /nfs/dbraw/zinc/05/46/25/1205054625.db2.gz ZQCMPHZDNZPZKJ-UHFFFAOYSA-N 2 0 349.494 2.448 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001275037801 1205241911 /nfs/dbraw/zinc/24/19/11/1205241911.db2.gz CGTLOWJSSGTRJL-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP COCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001275150749 1205268554 /nfs/dbraw/zinc/26/85/54/1205268554.db2.gz MQGPQSQRUJCGFB-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC001411629276 1205462555 /nfs/dbraw/zinc/46/25/55/1205462555.db2.gz IWFOQGJFUHAODV-IBGZPJMESA-N 2 0 329.488 2.281 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000924543624 1205993748 /nfs/dbraw/zinc/99/37/48/1205993748.db2.gz AQXJMXOWQSXWAG-MNTYIPCHSA-N 2 0 335.517 2.051 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)ccn2)CC1 ZINC000924687919 1206018297 /nfs/dbraw/zinc/01/82/97/1206018297.db2.gz CZVBRQGDFGMZQB-QUCCMNQESA-N 2 0 344.503 2.128 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)c1 ZINC000924931814 1206052082 /nfs/dbraw/zinc/05/20/82/1206052082.db2.gz LHSWEHQJTUGFRR-JTDSTZFVSA-N 2 0 336.476 2.157 10 0 EEAERP C[NH+]1CCC(CN[C@H]2CC[NH2+]C23CCCC3)(N2CCCCC2)CC1 ZINC000925513793 1206121628 /nfs/dbraw/zinc/12/16/28/1206121628.db2.gz LWIPURYBTQTVRO-SFHVURJKSA-N 2 0 334.552 2.201 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925563630 1206128678 /nfs/dbraw/zinc/12/86/78/1206128678.db2.gz OTCQGSYCQCDDCT-KKXDTOCCSA-N 2 0 343.471 2.265 10 0 EEAERP CN1C(=O)C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925779847 1206153567 /nfs/dbraw/zinc/15/35/67/1206153567.db2.gz MZUHNQSPTCLHDD-KLZNWCGWSA-N 2 0 335.398 2.096 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000925836438 1206158944 /nfs/dbraw/zinc/15/89/44/1206158944.db2.gz KRICNVOVUWIQDR-RTBURBONSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854346 1206161254 /nfs/dbraw/zinc/16/12/54/1206161254.db2.gz MTEHLUJSPYXQQM-YOEHRIQHSA-N 2 0 334.435 2.422 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1OC ZINC000925859456 1206162196 /nfs/dbraw/zinc/16/21/96/1206162196.db2.gz YNOHXTSWFYVCLT-UKRRQHHQSA-N 2 0 348.443 2.040 10 0 EEAERP CN1CCO[C@@H]([C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000925882299 1206163530 /nfs/dbraw/zinc/16/35/30/1206163530.db2.gz KGZXOVOHAYKFBO-RNJTYBCJSA-N 2 0 337.895 2.429 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[C@H]1C ZINC000925905987 1206166123 /nfs/dbraw/zinc/16/61/23/1206166123.db2.gz MXDPCOSZTWIGRC-SOLBZPMBSA-N 2 0 347.507 2.199 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccnnc1 ZINC000926126849 1206195869 /nfs/dbraw/zinc/19/58/69/1206195869.db2.gz SAHCXMOXXMUIAP-BEFAXECRSA-N 2 0 326.444 2.284 10 0 EEAERP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CCCCC1 ZINC000928089829 1206339225 /nfs/dbraw/zinc/33/92/25/1206339225.db2.gz LDDBZEZKUOBYRJ-SJORKVTESA-N 2 0 339.549 2.337 10 0 EEAERP C[C@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@@H+](C2CC2)C1 ZINC001413034718 1216939036 /nfs/dbraw/zinc/93/90/36/1216939036.db2.gz UNJNRZRPRCJALS-MRXNPFEDSA-N 2 0 329.488 2.347 10 0 EEAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902882024 1238848891 /nfs/dbraw/zinc/84/88/91/1238848891.db2.gz RYNDUSPPKKAXSX-HKFDWYQHSA-N 2 0 334.504 2.157 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903093769 1239717153 /nfs/dbraw/zinc/71/71/53/1239717153.db2.gz UPZMENZWYRYINL-PMACEKPBSA-N 2 0 346.471 2.199 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000903433012 1240459345 /nfs/dbraw/zinc/45/93/45/1240459345.db2.gz QSUKTOPWGXMXNR-RBUKOAKNSA-N 2 0 329.488 2.281 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000903494710 1240664241 /nfs/dbraw/zinc/66/42/41/1240664241.db2.gz LSAKBMMQSGUGJY-STEXWYFWSA-N 2 0 344.455 2.119 10 0 EEAERP Cc1ccc([C@@H](NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000903496493 1240672084 /nfs/dbraw/zinc/67/20/84/1240672084.db2.gz PQQSJRUXDQWRIF-XFQXTVEOSA-N 2 0 329.488 2.479 10 0 EEAERP C[C@@]1([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)COC(=O)N1 ZINC000903562027 1240949038 /nfs/dbraw/zinc/94/90/38/1240949038.db2.gz VIAZXRXEOKGAMX-APWZRJJASA-N 2 0 329.444 2.043 10 0 EEAERP O[C@@H](C[C@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896955 1242375942 /nfs/dbraw/zinc/37/59/42/1242375942.db2.gz BVQYTNCFXDCPLF-XDLUSNJSSA-N 2 0 330.472 2.342 10 0 EEAERP CCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000903897428 1242381590 /nfs/dbraw/zinc/38/15/90/1242381590.db2.gz YYFCGBFIRSDDQZ-VDHUWJSZSA-N 2 0 347.507 2.228 10 0 EEAERP COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913985 1242460762 /nfs/dbraw/zinc/46/07/62/1242460762.db2.gz RBHOBTBSNSTSNR-AZUAARDMSA-N 2 0 344.503 2.035 10 0 EEAERP CC(C)(CO)[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903927414 1242529010 /nfs/dbraw/zinc/52/90/10/1242529010.db2.gz RLCNGTOAELZLDE-WMZOPIPTSA-N 2 0 343.475 2.052 10 0 EEAERP CC(C)C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000903938062 1242588188 /nfs/dbraw/zinc/58/81/88/1242588188.db2.gz YXCFFWVPPVTDCZ-GOSISDBHSA-N 3 0 348.539 2.002 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379412 1243331792 /nfs/dbraw/zinc/33/17/92/1243331792.db2.gz FGJCEMMHZKGTGO-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@H]21 ZINC001490980613 1258532061 /nfs/dbraw/zinc/53/20/61/1258532061.db2.gz FJUFWMGCYWJMTE-BJYXUANLSA-N 2 0 327.900 2.392 10 0 EEAERP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491236205 1258824910 /nfs/dbraw/zinc/82/49/10/1258824910.db2.gz IOPLPHHYVSCFIX-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001491477232 1259127916 /nfs/dbraw/zinc/12/79/16/1259127916.db2.gz HCNKXHIZHTTWMQ-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1cnccn1 ZINC001491507125 1259157447 /nfs/dbraw/zinc/15/74/47/1259157447.db2.gz SBMVFJHWKNZKLP-LSDHHAIUSA-N 2 0 347.507 2.285 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001267894205 1276793422 /nfs/dbraw/zinc/79/34/22/1276793422.db2.gz UVROWFUGBONKLM-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP c1cc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)n(-c2cc[nH+]cc2)n1 ZINC000850239771 1277110795 /nfs/dbraw/zinc/11/07/95/1277110795.db2.gz VJXIGXYVCMHMIF-QGZVFWFLSA-N 2 0 328.416 2.433 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483240824 1277864972 /nfs/dbraw/zinc/86/49/72/1277864972.db2.gz LYDWSSBTJPVTJV-SUMWQHHRSA-N 2 0 339.430 2.086 10 0 EEAERP CCC1([NH2+]CCOC2CCC2)CCN(C(=O)Cn2cncc2C)CC1 ZINC001273770079 1285288955 /nfs/dbraw/zinc/28/89/55/1285288955.db2.gz OSJVSWQVFPCLJT-UHFFFAOYSA-N 2 0 348.491 2.121 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)CCC1 ZINC001490897864 1286663887 /nfs/dbraw/zinc/66/38/87/1286663887.db2.gz QVEPCSFKBQWCOV-JOCQHMNTSA-N 2 0 335.414 2.440 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001489055772 1290345644 /nfs/dbraw/zinc/34/56/44/1290345644.db2.gz JBOCHXYPJCPHJS-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](O)CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001489348424 1290532719 /nfs/dbraw/zinc/53/27/19/1290532719.db2.gz VFVLLSZLJWKNBB-IAGOWNOFSA-N 2 0 341.540 2.096 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493147101 1290576054 /nfs/dbraw/zinc/57/60/54/1290576054.db2.gz KOGBDMKGXOHAOH-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2ccnc2)o1 ZINC001490253827 1291074937 /nfs/dbraw/zinc/07/49/37/1291074937.db2.gz IWTPQOLBHNKTOB-ZDUSSCGKSA-N 2 0 333.436 2.077 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852857800 1292217968 /nfs/dbraw/zinc/21/79/68/1292217968.db2.gz GPZIOSSUQFHFIP-BBRMVZONSA-N 2 0 330.432 2.103 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)CC[NH2+]CC1 ZINC000854229321 1292679560 /nfs/dbraw/zinc/67/95/60/1292679560.db2.gz LEMPKMNKDOCBTJ-XKQJLSEDSA-N 2 0 332.444 2.076 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000863549202 1296329792 /nfs/dbraw/zinc/32/97/92/1296329792.db2.gz CTHDPJWXXONXHN-KURKYZTESA-N 2 0 345.418 2.070 10 0 EEAERP CC[C@H](c1ccccc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549943 1296330052 /nfs/dbraw/zinc/33/00/52/1296330052.db2.gz VAQVTPQNENIPML-KURKYZTESA-N 2 0 329.444 2.395 10 0 EEAERP CCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001276762466 1297521732 /nfs/dbraw/zinc/52/17/32/1297521732.db2.gz QRILYNLVBUXUKC-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001277087371 1301213926 /nfs/dbraw/zinc/21/39/26/1301213926.db2.gz GUXWOBSZNPDKRU-GUDVDZBRSA-N 2 0 329.488 2.055 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCc2cccc(F)c2)CC1 ZINC001277093859 1301238985 /nfs/dbraw/zinc/23/89/85/1301238985.db2.gz CCTBDOWZXFPCSX-GOSISDBHSA-N 2 0 347.478 2.481 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277148039 1301513903 /nfs/dbraw/zinc/51/39/03/1301513903.db2.gz KEGLDTFJCXARHY-YJBOKZPZSA-N 2 0 349.523 2.241 10 0 EEAERP Cc1cccnc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277280695 1302161413 /nfs/dbraw/zinc/16/14/13/1302161413.db2.gz SLDJHUGAXLOUPI-SQNIBIBYSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCC(F)(F)F ZINC001317700916 1332379721 /nfs/dbraw/zinc/37/97/21/1332379721.db2.gz YXAAABPADAVALV-UHFFFAOYSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)(C)OC(=O)NCCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000698559377 1304443350 /nfs/dbraw/zinc/44/33/50/1304443350.db2.gz NSFGYIHBXIUNAB-JKSUJKDBSA-N 2 0 341.496 2.134 10 0 EEAERP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000799179837 1305177704 /nfs/dbraw/zinc/17/77/04/1305177704.db2.gz WNPHPJZCCRUVPA-UHFFFAOYSA-N 2 0 345.443 2.162 10 0 EEAERP CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001278390605 1309999384 /nfs/dbraw/zinc/99/93/84/1309999384.db2.gz JLVRHCXNUOJWAS-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCOCc1ccccc1 ZINC001278520037 1317126679 /nfs/dbraw/zinc/12/66/79/1317126679.db2.gz BSODZGNZNMPVQV-IEBWSBKVSA-N 2 0 347.503 2.124 10 0 EEAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001278568471 1317254864 /nfs/dbraw/zinc/25/48/64/1317254864.db2.gz YJQAWBLKJNBBHU-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001278702844 1317795123 /nfs/dbraw/zinc/79/51/23/1317795123.db2.gz CCLPLQUVGPKUAW-KGLIPLIRSA-N 2 0 337.430 2.355 10 0 EEAERP C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001278817710 1318201284 /nfs/dbraw/zinc/20/12/84/1318201284.db2.gz TVVFSPSAMPMVEP-DLBZAZTESA-N 2 0 341.540 2.096 10 0 EEAERP COCC[N@@H+](CC=C(C)C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001279044266 1319074002 /nfs/dbraw/zinc/07/40/02/1319074002.db2.gz GSJBZKAVAYDRRT-UHFFFAOYSA-N 2 0 344.459 2.287 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001264166495 1322645919 /nfs/dbraw/zinc/64/59/19/1322645919.db2.gz FEVCOSUQMJCIGB-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cn1cncc1CC(=O)N1CCCC[C@H]1C[N@H+](C)CCCCCF ZINC001264187574 1322655105 /nfs/dbraw/zinc/65/51/05/1322655105.db2.gz ZUIDQERUADLPDE-INIZCTEOSA-N 2 0 338.471 2.415 10 0 EEAERP CCc1nc(C)c(C[N@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)o1 ZINC001265007481 1322853748 /nfs/dbraw/zinc/85/37/48/1322853748.db2.gz SEQFQTHIIYVSFP-UHFFFAOYSA-N 2 0 348.491 2.112 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cccnc1 ZINC001265043403 1322884454 /nfs/dbraw/zinc/88/44/54/1322884454.db2.gz LEIQGYFEXWGBEK-GOSISDBHSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)=CC[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001265362307 1323096732 /nfs/dbraw/zinc/09/67/32/1323096732.db2.gz JGWYCBAYGVGYKQ-GOSISDBHSA-N 2 0 339.443 2.332 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265616246 1323269520 /nfs/dbraw/zinc/26/95/20/1323269520.db2.gz ZADROSXNURZREQ-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCF)C1)c1ccccc1 ZINC001265631011 1323281806 /nfs/dbraw/zinc/28/18/06/1323281806.db2.gz UVHOJWWDXNWGHD-SJLPKXTDSA-N 2 0 335.467 2.477 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001265933727 1323498632 /nfs/dbraw/zinc/49/86/32/1323498632.db2.gz QXFKOXZOFSQAME-MRXNPFEDSA-N 2 0 347.507 2.016 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001266004830 1323559267 /nfs/dbraw/zinc/55/92/67/1323559267.db2.gz LVBOBAMMSYBVJT-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001266029382 1323580131 /nfs/dbraw/zinc/58/01/31/1323580131.db2.gz PNJCBVCOQPIBCN-VQTJNVASSA-N 2 0 343.515 2.317 10 0 EEAERP COCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266063629 1323617553 /nfs/dbraw/zinc/61/75/53/1323617553.db2.gz MATRPGXCCVPUNP-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266099798 1323662937 /nfs/dbraw/zinc/66/29/37/1323662937.db2.gz MUPPUPCJUCLPHR-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001266217440 1323785785 /nfs/dbraw/zinc/78/57/85/1323785785.db2.gz ZYPGIFYOBKCBGG-OALUTQOASA-N 2 0 333.520 2.489 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001279582210 1323946629 /nfs/dbraw/zinc/94/66/29/1323946629.db2.gz MWKLHTJUHPAZJJ-RTBURBONSA-N 2 0 349.519 2.178 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001280758480 1324485746 /nfs/dbraw/zinc/48/57/46/1324485746.db2.gz AMUYYXUNDYDZDJ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC001276656665 1324984878 /nfs/dbraw/zinc/98/48/78/1324984878.db2.gz QZTCGSKWJVFDKY-YLJYHZDGSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001281498976 1325175048 /nfs/dbraw/zinc/17/50/48/1325175048.db2.gz ULGUHDFEOKBXDY-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cncs1 ZINC001281686190 1325400275 /nfs/dbraw/zinc/40/02/75/1325400275.db2.gz NZEUHNRSWIRIAQ-CABCVRRESA-N 2 0 338.521 2.344 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001283032851 1325891208 /nfs/dbraw/zinc/89/12/08/1325891208.db2.gz SVCGLUFQSVDNGH-FHWLQOOXSA-N 2 0 329.488 2.198 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001283102803 1325919989 /nfs/dbraw/zinc/91/99/89/1325919989.db2.gz ZQSFEKSDMNEHRK-UFYCRDLUSA-N 2 0 343.515 2.364 10 0 EEAERP COc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283714549 1326215482 /nfs/dbraw/zinc/21/54/82/1326215482.db2.gz NXMOLILGNXQIDV-FUHWJXTLSA-N 2 0 347.503 2.016 10 0 EEAERP CCc1cccc(OCC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001283900752 1326309538 /nfs/dbraw/zinc/30/95/38/1326309538.db2.gz XDRROTKPBIADTE-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C[C@@H]1C ZINC001284014567 1326363235 /nfs/dbraw/zinc/36/32/35/1326363235.db2.gz BVQJJPRBAQPGBH-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001284212790 1326462438 /nfs/dbraw/zinc/46/24/38/1326462438.db2.gz UOAPHAPDKRNLBJ-CHWSQXEVSA-N 2 0 335.414 2.155 10 0 EEAERP Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001284429668 1326552070 /nfs/dbraw/zinc/55/20/70/1326552070.db2.gz LLLOOWJRXRNZBC-MRXNPFEDSA-N 2 0 346.475 2.101 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2scnc2C)CC1 ZINC001284979411 1326808637 /nfs/dbraw/zinc/80/86/37/1326808637.db2.gz XEAASQCSSQRGHZ-UHFFFAOYSA-N 2 0 336.505 2.042 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001491603447 1330200607 /nfs/dbraw/zinc/20/06/07/1330200607.db2.gz TZYQWRDSFSMGQL-SJLPKXTDSA-N 2 0 332.492 2.247 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC001491849577 1330273353 /nfs/dbraw/zinc/27/33/53/1330273353.db2.gz IFUVUTHTCSGQOS-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC001491882911 1330287970 /nfs/dbraw/zinc/28/79/70/1330287970.db2.gz RBCSFSJSGKUVST-LSDHHAIUSA-N 2 0 338.521 2.044 10 0 EEAERP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491888853 1330290571 /nfs/dbraw/zinc/29/05/71/1330290571.db2.gz KRUPMGVFIMAAKI-OALUTQOASA-N 2 0 347.503 2.415 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001491895170 1330293655 /nfs/dbraw/zinc/29/36/55/1330293655.db2.gz FBFGOILXSLWANQ-SJORKVTESA-N 2 0 348.491 2.376 10 0 EEAERP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491933985 1330324641 /nfs/dbraw/zinc/32/46/41/1330324641.db2.gz GVOAVKOXYWSBCV-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001491944644 1330335517 /nfs/dbraw/zinc/33/55/17/1330335517.db2.gz XCXMOQXMMKMXTG-DLBZAZTESA-N 2 0 347.507 2.111 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001491944658 1330336064 /nfs/dbraw/zinc/33/60/64/1330336064.db2.gz XCXMOQXMMKMXTG-SJORKVTESA-N 2 0 347.507 2.111 10 0 EEAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(CO)cc1 ZINC001492068196 1330441159 /nfs/dbraw/zinc/44/11/59/1330441159.db2.gz WMZZTEZAFZBKNW-MRXNPFEDSA-N 2 0 347.503 2.038 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492068391 1330441321 /nfs/dbraw/zinc/44/13/21/1330441321.db2.gz YJFSXSOLJLBFHS-CQSZACIVSA-N 2 0 336.480 2.096 10 0 EEAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(F)cn1 ZINC001492068080 1330441611 /nfs/dbraw/zinc/44/16/11/1330441611.db2.gz SWSPQNLHGQLAOO-CQSZACIVSA-N 2 0 336.455 2.080 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001492304212 1331144398 /nfs/dbraw/zinc/14/43/98/1331144398.db2.gz PZXDEEPDMGCOJT-CRAIPNDOSA-N 2 0 333.476 2.289 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316684215 1331321873 /nfs/dbraw/zinc/32/18/73/1331321873.db2.gz FHTVIRMVXIFXRL-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1)[NH+](C)C ZINC001316757232 1331876016 /nfs/dbraw/zinc/87/60/16/1331876016.db2.gz PXFPQJSFNQDPLS-IKGGRYGDSA-N 2 0 327.488 2.247 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001316950132 1332010864 /nfs/dbraw/zinc/01/08/64/1332010864.db2.gz JFTASRKQNLSXJP-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001317161914 1332106367 /nfs/dbraw/zinc/10/63/67/1332106367.db2.gz FSYJBOFUDUQVKI-OIJNNWEZSA-N 2 0 341.499 2.480 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001317308880 1332173578 /nfs/dbraw/zinc/17/35/78/1332173578.db2.gz YBQRBZXHLRUORO-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317383159 1332208402 /nfs/dbraw/zinc/20/84/02/1332208402.db2.gz KBLVXDWOKPXHBB-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cnc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001317428180 1332232054 /nfs/dbraw/zinc/23/20/54/1332232054.db2.gz AWZDZSNVBRMDTO-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CCCc1ccc(C[NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001317654514 1332351721 /nfs/dbraw/zinc/35/17/21/1332351721.db2.gz MLFKAYZZGVGJCL-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317844650 1332428997 /nfs/dbraw/zinc/42/89/97/1332428997.db2.gz AKYSSNGWBHHNJX-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[NH2+]C[C@]1(NC(=O)c2ccn(CC[NH+](C)C)n2)CCCC[C@@H]1C ZINC001318745519 1332587874 /nfs/dbraw/zinc/58/78/74/1332587874.db2.gz OAHSTCLHIYDNKA-QFBILLFUSA-N 2 0 349.523 2.123 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001318914963 1332623045 /nfs/dbraw/zinc/62/30/45/1332623045.db2.gz KNUNYCDNNVEHLA-OAHLLOKOSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)C1 ZINC001319111273 1332651167 /nfs/dbraw/zinc/65/11/67/1332651167.db2.gz FILJAJPLIGOXAB-RHSMWYFYSA-N 2 0 331.451 2.139 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1F ZINC001319269368 1332673277 /nfs/dbraw/zinc/67/32/77/1332673277.db2.gz HOKIMYCGBIVVIM-JKSUJKDBSA-N 2 0 335.467 2.052 10 0 EEAERP Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]CC[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001319486282 1332710253 /nfs/dbraw/zinc/71/02/53/1332710253.db2.gz MTMBDHKCFFXSLM-HOCLYGCPSA-N 2 0 344.459 2.119 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319775171 1332764588 /nfs/dbraw/zinc/76/45/88/1332764588.db2.gz QYPPEBLSVJDAMI-RDJZCZTQSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001320187283 1332845625 /nfs/dbraw/zinc/84/56/25/1332845625.db2.gz UVQJUYKBVABNLY-RTBURBONSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001320448613 1332886063 /nfs/dbraw/zinc/88/60/63/1332886063.db2.gz WMOZKYQDLSTLPR-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)no1 ZINC001320475445 1332892562 /nfs/dbraw/zinc/89/25/62/1332892562.db2.gz YRECGZNEXUQKIK-LBPRGKRZSA-N 2 0 341.415 2.237 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320635878 1332926303 /nfs/dbraw/zinc/92/63/03/1332926303.db2.gz ZKNDLHBGSJYWCO-OCCSQVGLSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]CC1CCOCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320862315 1332966953 /nfs/dbraw/zinc/96/69/53/1332966953.db2.gz IWNJSOXTLQPASN-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001320863366 1332967504 /nfs/dbraw/zinc/96/75/04/1332967504.db2.gz QQNZEDQRTVERNF-GOEBONIOSA-N 2 0 336.505 2.098 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001321108242 1333020797 /nfs/dbraw/zinc/02/07/97/1333020797.db2.gz DWUCMRYUABSIQY-JCTQASJRSA-N 2 0 343.515 2.394 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321121645 1333024441 /nfs/dbraw/zinc/02/44/41/1333024441.db2.gz VMPUHXUEGRYOMR-HPFMTEOYSA-N 2 0 347.507 2.019 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C/C[NH2+]C/C=C/Cl)C1 ZINC001321252607 1333055745 /nfs/dbraw/zinc/05/57/45/1333055745.db2.gz VUUWLYFELVIKIP-JXHRZFEHSA-N 2 0 331.863 2.213 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC1CCOCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001321289987 1333064915 /nfs/dbraw/zinc/06/49/15/1333064915.db2.gz YDTSHFBCGOWBLG-WNJMFGOSSA-N 2 0 349.519 2.082 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cncc(F)c1)[NH+]1CCCC1 ZINC001321422105 1333100965 /nfs/dbraw/zinc/10/09/65/1333100965.db2.gz YVCVUUJRYOJQPQ-JXCVUKRWSA-N 2 0 348.466 2.103 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001321642770 1333136985 /nfs/dbraw/zinc/13/69/85/1333136985.db2.gz XGZVVSZBMHZOMD-HIFRSBDPSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322443134 1333264510 /nfs/dbraw/zinc/26/45/10/1333264510.db2.gz UNVPPAMMLXSCTL-HNNXBMFYSA-N 2 0 336.480 2.139 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CCN1C(=O)CCCC[NH+](C)C ZINC001324091346 1333606885 /nfs/dbraw/zinc/60/68/85/1333606885.db2.gz VDJGJRKLJFGBBJ-WMZOPIPTSA-N 2 0 332.492 2.283 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnc(Cl)c1 ZINC001324251957 1333643483 /nfs/dbraw/zinc/64/34/83/1333643483.db2.gz PCNCBQOCNGYWJZ-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001324260019 1333644376 /nfs/dbraw/zinc/64/43/76/1333644376.db2.gz FCCHVLQSLOIMFD-CRTCLFFXSA-N 2 0 339.911 2.442 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001325766939 1333956464 /nfs/dbraw/zinc/95/64/64/1333956464.db2.gz SETWEJFHQLRBIN-DHAGBVFISA-N 2 0 333.520 2.465 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001326353511 1334074792 /nfs/dbraw/zinc/07/47/92/1334074792.db2.gz QWIHVURHTKQIFM-QGZVFWFLSA-N 2 0 343.515 2.455 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001326520584 1334108857 /nfs/dbraw/zinc/10/88/57/1334108857.db2.gz BOWYHVZHIWLKGJ-UOVPBQLFSA-N 2 0 339.499 2.341 10 0 EEAERP Cc1c(C(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)ccc2c[nH+]cn21 ZINC001328879439 1334540017 /nfs/dbraw/zinc/54/00/17/1334540017.db2.gz GJQWDBQHBWPKJV-DJWKRKHSSA-N 2 0 332.835 2.493 10 0 EEAERP COCCCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001329244061 1334613833 /nfs/dbraw/zinc/61/38/33/1334613833.db2.gz QRJSNTSCFPLPMX-AOCRQIFASA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001330687056 1334887229 /nfs/dbraw/zinc/88/72/29/1334887229.db2.gz WBBXUSBLMCHODM-ZGXGBBTLSA-N 2 0 339.483 2.280 10 0 EEAERP COc1cc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001330771286 1334899823 /nfs/dbraw/zinc/89/98/23/1334899823.db2.gz ZSLMCRJQUQNZLJ-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001331614391 1335045566 /nfs/dbraw/zinc/04/55/66/1335045566.db2.gz XACMXACFPKQSLH-XJKSGUPXSA-N 2 0 340.899 2.258 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001332049910 1335714296 /nfs/dbraw/zinc/71/42/96/1335714296.db2.gz OAKLINYXHNECIE-RHSMWYFYSA-N 2 0 325.472 2.047 10 0 EEAERP CCCCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC001332426134 1335822141 /nfs/dbraw/zinc/82/21/41/1335822141.db2.gz AFCFHRYFBBIICE-QGZVFWFLSA-N 2 0 349.523 2.075 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332861433 1335920651 /nfs/dbraw/zinc/92/06/51/1335920651.db2.gz SCLUJOUDCFAWTN-DLBZAZTESA-N 2 0 341.540 2.408 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)C12CCC2 ZINC001335252832 1336355335 /nfs/dbraw/zinc/35/53/35/1336355335.db2.gz PZYMWQSVONIXMJ-ZIAGYGMSSA-N 2 0 341.377 2.295 10 0 EEAERP COc1cccc(/C=C/CC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001480116346 1337890235 /nfs/dbraw/zinc/89/02/35/1337890235.db2.gz YQIOYRWTLPROMX-UKTKYZJWSA-N 2 0 345.487 2.241 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480304124 1337978956 /nfs/dbraw/zinc/97/89/56/1337978956.db2.gz JDLQUUVBAOBBDV-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001500291851 1342139292 /nfs/dbraw/zinc/13/92/92/1342139292.db2.gz DIRHYYZGMYYWOC-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001567103228 1342694549 /nfs/dbraw/zinc/69/45/49/1342694549.db2.gz VZDRFFJMJHWXOB-IBGZPJMESA-N 2 0 329.488 2.318 10 0 EEAERP COCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567172612 1342704174 /nfs/dbraw/zinc/70/41/74/1342704174.db2.gz OYZHEMURBGLYST-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001567180551 1342706215 /nfs/dbraw/zinc/70/62/15/1342706215.db2.gz FPLHSNGGAKIZME-CRAIPNDOSA-N 2 0 335.467 2.277 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001567516440 1342776561 /nfs/dbraw/zinc/77/65/61/1342776561.db2.gz UAHAWFYZRGNQKB-LSDHHAIUSA-N 2 0 329.435 2.097 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567591155 1342789170 /nfs/dbraw/zinc/78/91/70/1342789170.db2.gz YZINCNAJTIAGAD-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001570142696 1343015535 /nfs/dbraw/zinc/01/55/35/1343015535.db2.gz RSMPCBNTOKFHRJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001570448200 1343071768 /nfs/dbraw/zinc/07/17/68/1343071768.db2.gz AERBFLKQZOOCAM-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001676755575 1357193984 /nfs/dbraw/zinc/19/39/84/1357193984.db2.gz LUUBIMBOFJYCAM-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001676755577 1357194594 /nfs/dbraw/zinc/19/45/94/1357194594.db2.gz LUUBIMBOFJYCAM-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001677438503 1357331831 /nfs/dbraw/zinc/33/18/31/1357331831.db2.gz CAYUTAYBRTXWBJ-UHFFFAOYSA-N 2 0 338.883 2.156 10 0 EEAERP CN1Cc2ccccc2[C@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC001647336866 1353235066 /nfs/dbraw/zinc/23/50/66/1353235066.db2.gz YQMJEPNEOVJOBV-GOSISDBHSA-N 2 0 330.476 2.204 10 0 EEAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001649857138 1353628258 /nfs/dbraw/zinc/62/82/58/1353628258.db2.gz XHIDPOFHYGQELH-QZTJIDSGSA-N 2 0 331.460 2.099 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1ccns1 ZINC001656446652 1354237703 /nfs/dbraw/zinc/23/77/03/1354237703.db2.gz BVEKFBDBDSSKPZ-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001656908013 1354297757 /nfs/dbraw/zinc/29/77/57/1354297757.db2.gz AGVAVRXOGUQGFF-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001657025885 1354310159 /nfs/dbraw/zinc/31/01/59/1354310159.db2.gz UBJFETFQLYWAOR-HIFRSBDPSA-N 2 0 331.451 2.343 10 0 EEAERP CCc1nocc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001660138841 1354403254 /nfs/dbraw/zinc/40/32/54/1354403254.db2.gz LCPUOIHCZQNGNQ-KRWDZBQOSA-N 2 0 336.480 2.048 10 0 EEAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C[C@H]1CCCOC1 ZINC001660145244 1354404060 /nfs/dbraw/zinc/40/40/60/1354404060.db2.gz CPWJWYGGHYYTTB-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001661436801 1354638944 /nfs/dbraw/zinc/63/89/44/1354638944.db2.gz PNZTZKAZSNSAJW-MKXGPGLRSA-N 2 0 349.519 2.057 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001661817982 1354702418 /nfs/dbraw/zinc/70/24/18/1354702418.db2.gz GFYOSPLOUXOXPZ-UYAOXDASSA-N 2 0 343.515 2.399 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001661823445 1354703748 /nfs/dbraw/zinc/70/37/48/1354703748.db2.gz RFBWVSQTIVQQHU-GOSISDBHSA-N 2 0 347.503 2.227 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001662609053 1354812338 /nfs/dbraw/zinc/81/23/38/1354812338.db2.gz WAUSNCBNNIBPJQ-XLIONFOSSA-N 2 0 343.515 2.324 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC001662655305 1354820515 /nfs/dbraw/zinc/82/05/15/1354820515.db2.gz QGSQZVLVXISKMY-IBGZPJMESA-N 2 0 341.499 2.296 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644344 1355008845 /nfs/dbraw/zinc/00/88/45/1355008845.db2.gz FXBOAJVWAPEXSD-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCCOC)C1 ZINC001665715336 1355370024 /nfs/dbraw/zinc/37/00/24/1355370024.db2.gz OSCMQAGELZBFLP-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001666256605 1355497397 /nfs/dbraw/zinc/49/73/97/1355497397.db2.gz ROBXSCIJJRTSKU-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC(C)C ZINC001666486681 1355531185 /nfs/dbraw/zinc/53/11/85/1355531185.db2.gz SDDULYLLCZYQSR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666870934 1355607017 /nfs/dbraw/zinc/60/70/17/1355607017.db2.gz QJPUKNXTTQGHAA-GUYCJALGSA-N 2 0 339.430 2.038 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667053664 1355639785 /nfs/dbraw/zinc/63/97/85/1355639785.db2.gz HQTTVKKNAFFNTK-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001667279733 1355697395 /nfs/dbraw/zinc/69/73/95/1355697395.db2.gz YBPRJMAHEDAQRO-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667307224 1355705864 /nfs/dbraw/zinc/70/58/64/1355705864.db2.gz SJEPTYPLVORNJQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001667413013 1355737767 /nfs/dbraw/zinc/73/77/67/1355737767.db2.gz IIZMELZITIHLEZ-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001668258351 1355910045 /nfs/dbraw/zinc/91/00/45/1355910045.db2.gz JTWLXGZDYJUSIE-INIZCTEOSA-N 2 0 337.508 2.082 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001668309578 1355920956 /nfs/dbraw/zinc/92/09/56/1355920956.db2.gz KFQCWKANLRUINB-MRXNPFEDSA-N 2 0 333.476 2.084 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668324714 1355923599 /nfs/dbraw/zinc/92/35/99/1355923599.db2.gz CSYBCPVWSWZEQW-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCOCC1 ZINC001668326568 1355924280 /nfs/dbraw/zinc/92/42/80/1355924280.db2.gz SBSYESBLAXGKGO-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668640582 1355977845 /nfs/dbraw/zinc/97/78/45/1355977845.db2.gz FMZRJOLZCZWACX-IBGZPJMESA-N 2 0 329.488 2.065 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C/c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828011 1356014996 /nfs/dbraw/zinc/01/49/96/1356014996.db2.gz MZOZFZWVZQMPEB-DJNOSZBQSA-N 2 0 339.483 2.304 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001668853220 1356023029 /nfs/dbraw/zinc/02/30/29/1356023029.db2.gz FDZOMGLKHMYQLI-DDKKJVIOSA-N 2 0 333.451 2.462 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001669045931 1356076014 /nfs/dbraw/zinc/07/60/14/1356076014.db2.gz NRKYXKIZXPMTCI-WHJWBVKISA-N 2 0 331.451 2.414 10 0 EEAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001669580924 1356178814 /nfs/dbraw/zinc/17/88/14/1356178814.db2.gz VOBMJSQWBBLFDY-GXTWGEPZSA-N 2 0 335.414 2.440 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001669595397 1356180466 /nfs/dbraw/zinc/18/04/66/1356180466.db2.gz KZOUCVHLSSAAAD-ZWKOTPCHSA-N 2 0 347.503 2.261 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669664872 1356191415 /nfs/dbraw/zinc/19/14/15/1356191415.db2.gz OFGGXDVEZACHBH-YJBOKZPZSA-N 2 0 345.503 2.108 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001672329213 1356502221 /nfs/dbraw/zinc/50/22/21/1356502221.db2.gz VOSKAVDXLBXEET-HKUYNNGSSA-N 2 0 331.504 2.255 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)ns2)C1)[NH+](C)C ZINC001672897982 1356610039 /nfs/dbraw/zinc/61/00/39/1356610039.db2.gz YYRKHPNXDRLGPC-GOEBONIOSA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001672979020 1356625848 /nfs/dbraw/zinc/62/58/48/1356625848.db2.gz QNQBLWLNDBUAQG-BZSNNMDCSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001673904468 1356757487 /nfs/dbraw/zinc/75/74/87/1356757487.db2.gz KJPYPCFTYGJMQI-DLBZAZTESA-N 2 0 341.540 2.216 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2CC(C[NH2+]CCCF)C2)C1 ZINC001674579275 1356860145 /nfs/dbraw/zinc/86/01/45/1356860145.db2.gz VVBPPYOVJAGCTB-KVULBXGLSA-N 2 0 331.451 2.043 10 0 EEAERP O=C(NC1CC(C[NH2+]CCc2ccccc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001674604422 1356863090 /nfs/dbraw/zinc/86/30/90/1356863090.db2.gz QPLOZHSDFGIINB-GRERDSQWSA-N 2 0 341.499 2.199 10 0 EEAERP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001674720814 1356883229 /nfs/dbraw/zinc/88/32/29/1356883229.db2.gz CWIGJKARADVTBR-OLZOCXBDSA-N 2 0 326.872 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccnc(Cl)c1 ZINC001675031179 1356926850 /nfs/dbraw/zinc/92/68/50/1356926850.db2.gz ZSAADMWNCYKFAN-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001675258524 1356954336 /nfs/dbraw/zinc/95/43/36/1356954336.db2.gz XNRBESVHJBIGGS-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001675426535 1356978982 /nfs/dbraw/zinc/97/89/82/1356978982.db2.gz STSNFZAJZCVYGD-IBGZPJMESA-N 2 0 339.524 2.212 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001698899133 1405139087 /nfs/dbraw/zinc/13/90/87/1405139087.db2.gz SWXXKEZJZJSNEO-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001699108956 1405265203 /nfs/dbraw/zinc/26/52/03/1405265203.db2.gz XXETZZAYSCGICY-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001699549045 1405384045 /nfs/dbraw/zinc/38/40/45/1405384045.db2.gz RTICQYUHISBVLK-IBGZPJMESA-N 2 0 333.451 2.250 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001699856386 1405529985 /nfs/dbraw/zinc/52/99/85/1405529985.db2.gz MFZUWFDOSAWFIC-PZJWPPBQSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806418 777307154 /nfs/dbraw/zinc/30/71/54/777307154.db2.gz POVXAIIAGDIBEC-ZIAGYGMSSA-N 2 0 345.553 2.123 10 0 EEAERP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC000169782632 790576403 /nfs/dbraw/zinc/57/64/03/790576403.db2.gz XXBRNCARSSEDQM-QGZVFWFLSA-N 2 0 348.487 2.494 10 0 EEAERP CCN1C[C@@H](C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)OC1=O ZINC000846842894 790670838 /nfs/dbraw/zinc/67/08/38/790670838.db2.gz XUIDWSSHYSPJNZ-GOSISDBHSA-N 2 0 346.475 2.461 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000907922378 784967577 /nfs/dbraw/zinc/96/75/77/784967577.db2.gz WQKJPNBXAWIHHF-UHFFFAOYSA-N 2 0 346.475 2.003 10 0 EEAERP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)C[C@@H]3COCCN3)C2=O)c(C)c1 ZINC000817923323 785076101 /nfs/dbraw/zinc/07/61/01/785076101.db2.gz IHTUALZDRFYGJY-KSZLIROESA-N 2 0 345.487 2.074 10 0 EEAERP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711278036 788585330 /nfs/dbraw/zinc/58/53/30/788585330.db2.gz DEAMZGSLGNXNIU-MSOLQXFVSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711344577 788728660 /nfs/dbraw/zinc/72/86/60/788728660.db2.gz SXOUPJUTYTXEOT-BPQIPLTHSA-N 2 0 329.488 2.116 10 0 EEAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@]2(C)C1 ZINC000913284494 788762051 /nfs/dbraw/zinc/76/20/51/788762051.db2.gz USCMDYIPUDCLSC-NSISKUIASA-N 2 0 333.520 2.441 10 0 EEAERP CCCN(CC[NH+](C)C)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000844202795 788924183 /nfs/dbraw/zinc/92/41/83/788924183.db2.gz OHEIBVNLRKFWMR-CQSZACIVSA-N 2 0 326.872 2.234 10 0 EEAERP Cc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923314112 789353128 /nfs/dbraw/zinc/35/31/28/789353128.db2.gz PDZORZCCWJGWRW-WOJBJXKFSA-N 2 0 344.499 2.397 10 0 EEAERP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000923375595 789457364 /nfs/dbraw/zinc/45/73/64/789457364.db2.gz BNHZKDQTJVJXIO-SJLPKXTDSA-N 2 0 345.487 2.494 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000923441437 789567395 /nfs/dbraw/zinc/56/73/95/789567395.db2.gz LEHZRMYHDHXIGU-CYBMUJFWSA-N 2 0 340.370 2.338 10 0 EEAERP C[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923496288 789655265 /nfs/dbraw/zinc/65/52/65/789655265.db2.gz ARMVDTHIEQORSW-SZVBFZGTSA-N 2 0 329.488 2.487 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923490537 789659610 /nfs/dbraw/zinc/65/96/10/789659610.db2.gz DHSRPJLQHNVPNH-RDBSUJKOSA-N 2 0 346.393 2.362 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913891075 794490807 /nfs/dbraw/zinc/49/08/07/794490807.db2.gz IORNBVHNLDWTMQ-RBSFLKMASA-N 2 0 336.505 2.277 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713432236 794597893 /nfs/dbraw/zinc/59/78/93/794597893.db2.gz WTTGELQUGLRZBF-LBKNJMOBSA-N 2 0 327.472 2.237 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000915163149 795693520 /nfs/dbraw/zinc/69/35/20/795693520.db2.gz AKVZAEZJAPSTAN-CRAIPNDOSA-N 2 0 336.524 2.423 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)[NH+]2CCCC2)o1 ZINC000915978037 797464944 /nfs/dbraw/zinc/46/49/44/797464944.db2.gz QDKGGWKYOHMDOL-PMPSAXMXSA-N 2 0 334.464 2.117 10 0 EEAERP c1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)n(-c2cc[nH+]cc2)n1 ZINC000922809599 801969964 /nfs/dbraw/zinc/96/99/64/801969964.db2.gz KHVSSLNKDMAXBN-QGZVFWFLSA-N 2 0 328.416 2.085 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1 ZINC000922875435 802094344 /nfs/dbraw/zinc/09/43/44/802094344.db2.gz KVBQAYBSNLAREE-XGWQRUHWSA-N 2 0 334.460 2.399 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H]1CCCC1(F)F ZINC001566439644 1125602151 /nfs/dbraw/zinc/60/21/51/1125602151.db2.gz FBLAIQFSFWVXIY-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001436410084 1087761977 /nfs/dbraw/zinc/76/19/77/1087761977.db2.gz AAHMNBVBXBDAAU-GOEBONIOSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCOC1CCC1 ZINC001436488246 1087980711 /nfs/dbraw/zinc/98/07/11/1087980711.db2.gz FEWHFWGCNFKUKH-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCc2cccs2)C1 ZINC001436835938 1088460049 /nfs/dbraw/zinc/46/00/49/1088460049.db2.gz AFAXWJCUEPOUDW-INIZCTEOSA-N 2 0 337.533 2.413 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001436974625 1088667491 /nfs/dbraw/zinc/66/74/91/1088667491.db2.gz FGNZBWIRPDOQGH-CALCHBBNSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001436981101 1088683846 /nfs/dbraw/zinc/68/38/46/1088683846.db2.gz WWMFCXFEOCYINM-KDURUIRLSA-N 2 0 344.503 2.393 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001437233763 1089330538 /nfs/dbraw/zinc/33/05/38/1089330538.db2.gz LVOALTCGICGNPO-CVEARBPZSA-N 2 0 347.507 2.061 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1)C1CCC1 ZINC001437330619 1089507323 /nfs/dbraw/zinc/50/73/23/1089507323.db2.gz LZULJMWNFZPLOB-KGLIPLIRSA-N 2 0 336.505 2.144 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001437369286 1089606834 /nfs/dbraw/zinc/60/68/34/1089606834.db2.gz AINPSNMMEOVSEF-GOEBONIOSA-N 2 0 348.491 2.124 10 0 EEAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1ccns1 ZINC001437380923 1089628244 /nfs/dbraw/zinc/62/82/44/1089628244.db2.gz BCYONZHCGSMZEO-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001437385098 1089635779 /nfs/dbraw/zinc/63/57/79/1089635779.db2.gz PLWQBACUHAXJLH-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC001437470737 1089804668 /nfs/dbraw/zinc/80/46/68/1089804668.db2.gz HOOOACGTNSNSAO-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP Cn1cncc1CCC(=O)NCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001437550500 1090011743 /nfs/dbraw/zinc/01/17/43/1090011743.db2.gz HIVCGCVIDSRPFU-AWEZNQCLSA-N 2 0 342.434 2.226 10 0 EEAERP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2)C1 ZINC001437955395 1090551913 /nfs/dbraw/zinc/55/19/13/1090551913.db2.gz CGNVQQXJGIYMJO-OAHLLOKOSA-N 2 0 345.447 2.023 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C)nc1C ZINC001438332861 1090806877 /nfs/dbraw/zinc/80/68/77/1090806877.db2.gz LSZUKMMCXYJZSI-KSSFIOAISA-N 2 0 332.492 2.025 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@H]1CCc2ccccc21 ZINC001438519338 1091011928 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344.503 2.249 10 0 EEAERP C[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1cccc(F)c1 ZINC001439490831 1092312884 /nfs/dbraw/zinc/31/28/84/1092312884.db2.gz FPNRQNQHZPCRAF-KSSFIOAISA-N 2 0 333.451 2.467 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001446317521 1092507317 /nfs/dbraw/zinc/50/73/17/1092507317.db2.gz OUAKXLAPONHNHH-ZRSRNVLSSA-N 2 0 333.520 2.440 10 0 EEAERP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccns2)CC1)[NH+]1CCCC1 ZINC001439676535 1092617687 /nfs/dbraw/zinc/61/76/87/1092617687.db2.gz MUCSUVKTOURSFG-OAHLLOKOSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)s1 ZINC001439765140 1092723342 /nfs/dbraw/zinc/72/33/42/1092723342.db2.gz PWJTYRNAUNOQPC-UKRRQHHQSA-N 2 0 338.521 2.261 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001439880569 1092928782 /nfs/dbraw/zinc/92/87/82/1092928782.db2.gz BPRQNGBBNPCINK-MOPGFXCFSA-N 2 0 339.499 2.437 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001439922909 1093000925 /nfs/dbraw/zinc/00/09/25/1093000925.db2.gz JWFQDLKTFVCORV-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3sccc3Cl)C[C@@H]2C1 ZINC001440149517 1093209928 /nfs/dbraw/zinc/20/99/28/1093209928.db2.gz MUTXSWYWJYJUIR-BETUJISGSA-N 2 0 341.908 2.243 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCc2cccc3c2CC[NH+](CCCF)C3)C1 ZINC001440261606 1093364717 /nfs/dbraw/zinc/36/47/17/1093364717.db2.gz JOQIIIAMIIZLMC-INIZCTEOSA-N 2 0 347.478 2.362 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCc2ccccc2Cl)CCC1 ZINC001440332572 1093475257 /nfs/dbraw/zinc/47/52/57/1093475257.db2.gz LRPBUKZUOUUTSN-UHFFFAOYSA-N 2 0 337.895 2.463 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001448578658 1093629307 /nfs/dbraw/zinc/62/93/07/1093629307.db2.gz AHIQJJIWFXMGAP-IAGOWNOFSA-N 2 0 348.491 2.182 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001448675222 1093743096 /nfs/dbraw/zinc/74/30/96/1093743096.db2.gz GNTZJQXLUUVJQJ-BBRMVZONSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001448699854 1093763084 /nfs/dbraw/zinc/76/30/84/1093763084.db2.gz KIGLQSGKCNTVIO-CYBMUJFWSA-N 2 0 336.480 2.102 10 0 EEAERP CC[C@@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)OC ZINC001440519056 1093769313 /nfs/dbraw/zinc/76/93/13/1093769313.db2.gz KWSMOHBRGCCCQY-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCCOC2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440528480 1093786146 /nfs/dbraw/zinc/78/61/46/1093786146.db2.gz GVDZEFOINGMRJT-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001440538939 1093804076 /nfs/dbraw/zinc/80/40/76/1093804076.db2.gz MLAPZKABTVEQLN-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001440660639 1093930583 /nfs/dbraw/zinc/93/05/83/1093930583.db2.gz DBMRJUZXECIESB-MAUKXSAKSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001440671744 1093934581 /nfs/dbraw/zinc/93/45/81/1093934581.db2.gz UWMHTWAEWHUSHE-WMLDXEAASA-N 2 0 336.480 2.230 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001440729168 1093974976 /nfs/dbraw/zinc/97/49/76/1093974976.db2.gz XMVNPYOCOZZTAI-CVEARBPZSA-N 2 0 325.472 2.286 10 0 EEAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2cscn2)CC1)[NH+](C)C ZINC001440861036 1094122669 /nfs/dbraw/zinc/12/26/69/1094122669.db2.gz QYDLWIIWQLZCJU-AVVWSFFYSA-N 2 0 338.521 2.343 10 0 EEAERP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001449255581 1094203801 /nfs/dbraw/zinc/20/38/01/1094203801.db2.gz RFGDEBPIMUOWKB-QGZVFWFLSA-N 2 0 341.540 2.048 10 0 EEAERP Cc1oncc1C[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001449402549 1094384941 /nfs/dbraw/zinc/38/49/41/1094384941.db2.gz PHYBZWBSZSDVHX-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2)C1 ZINC001441146553 1094485568 /nfs/dbraw/zinc/48/55/68/1094485568.db2.gz JEGUAGHZYKTSEE-CRAIPNDOSA-N 2 0 335.467 2.303 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCCc2ccccc2)C1 ZINC001441205928 1094568167 /nfs/dbraw/zinc/56/81/67/1094568167.db2.gz JZIWWSXHTFABKY-KRWDZBQOSA-N 2 0 331.504 2.396 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001441260716 1094663910 /nfs/dbraw/zinc/66/39/10/1094663910.db2.gz ZANYZOHCRQESOB-GOSISDBHSA-N 2 0 349.906 2.463 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001441423836 1095014639 /nfs/dbraw/zinc/01/46/39/1095014639.db2.gz SIPSBDLAKTVRHQ-MKBNYLNASA-N 2 0 337.414 2.141 10 0 EEAERP Cc1conc1CN1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001441597914 1095440220 /nfs/dbraw/zinc/44/02/20/1095440220.db2.gz SVFZEDFOLGPGCV-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC001441643139 1095564117 /nfs/dbraw/zinc/56/41/17/1095564117.db2.gz PTMDPYRICBRNRV-IBGZPJMESA-N 2 0 329.488 2.296 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001441649931 1095601638 /nfs/dbraw/zinc/60/16/38/1095601638.db2.gz BZEPOPQEJOGEFK-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)[NH+](C)C ZINC001441925247 1096109851 /nfs/dbraw/zinc/10/98/51/1096109851.db2.gz IXTKCPVJYQIHDD-CHWSQXEVSA-N 2 0 337.430 2.352 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc2cccnc21 ZINC001441953349 1096153184 /nfs/dbraw/zinc/15/31/84/1096153184.db2.gz RHYLUJNXGVZYRA-CVEARBPZSA-N 2 0 340.471 2.171 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cnc(C)s1)C(C)(C)C)[NH+](C)C ZINC001442155408 1096410380 /nfs/dbraw/zinc/41/03/80/1096410380.db2.gz SDCKGBXDPYXPQA-CABCVRRESA-N 2 0 340.537 2.412 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnoc2C)C1)[NH+](CC)CC ZINC001442157017 1096412162 /nfs/dbraw/zinc/41/21/62/1096412162.db2.gz QYPUHUQLQMTLNX-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3cncs3)C2)CCC1 ZINC001442170706 1096435461 /nfs/dbraw/zinc/43/54/61/1096435461.db2.gz CYCCQRSAWKFWSP-ZIAGYGMSSA-N 2 0 336.505 2.144 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC001442186788 1096458306 /nfs/dbraw/zinc/45/83/06/1096458306.db2.gz HUPROTWCWOROHC-RYUDHWBXSA-N 2 0 344.912 2.265 10 0 EEAERP CO[C@@H](C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001442217580 1096510883 /nfs/dbraw/zinc/51/08/83/1096510883.db2.gz PYUOTLFAOYULED-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1F ZINC001442238500 1096538589 /nfs/dbraw/zinc/53/85/89/1096538589.db2.gz AKGAGWKGOOTCKM-WBMJQRKESA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1coc(C2CC2)n1 ZINC001442259648 1096561550 /nfs/dbraw/zinc/56/15/50/1096561550.db2.gz STERJMKELCHEQJ-CJNGLKHVSA-N 2 0 334.464 2.021 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCc2ccc(Cl)cc21 ZINC001442382487 1096704849 /nfs/dbraw/zinc/70/48/49/1096704849.db2.gz UDZIVRFLNZTQPK-IRXDYDNUSA-N 2 0 335.879 2.470 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001442750165 1097126587 /nfs/dbraw/zinc/12/65/87/1097126587.db2.gz JSXPZOAEWCDKKA-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)C/C=C/Cl)C2)CC[N@@H+]1C ZINC001443319500 1097806801 /nfs/dbraw/zinc/80/68/01/1097806801.db2.gz FFELIAZCSDGLKV-MAADDNGKSA-N 2 0 327.900 2.250 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001479493329 1098563540 /nfs/dbraw/zinc/56/35/40/1098563540.db2.gz HOASSNJZYJDUKW-DOTOQJQBSA-N 2 0 333.451 2.296 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522133 1098588905 /nfs/dbraw/zinc/58/89/05/1098588905.db2.gz KIBPXZKUQLESQW-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001479529835 1098596827 /nfs/dbraw/zinc/59/68/27/1098596827.db2.gz WNUFEFBDSBNOEM-WBVHZDCISA-N 2 0 336.480 2.123 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001479579135 1098617166 /nfs/dbraw/zinc/61/71/66/1098617166.db2.gz UIIHBEMKJZBXBX-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCC2)o1 ZINC001444092923 1098624910 /nfs/dbraw/zinc/62/49/10/1098624910.db2.gz XWAYPKNOZMEOOT-UHFFFAOYSA-N 2 0 336.480 2.150 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnc(C)s2)CC1 ZINC001444172563 1098724184 /nfs/dbraw/zinc/72/41/84/1098724184.db2.gz GFGKGYAESLUCAW-SHTZXODSSA-N 2 0 338.521 2.310 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001444176803 1098728925 /nfs/dbraw/zinc/72/89/25/1098728925.db2.gz YLEBVNXIZFCIJD-ZOBUZTSGSA-N 2 0 334.464 2.066 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001479707687 1098786209 /nfs/dbraw/zinc/78/62/09/1098786209.db2.gz GGQUNKSUBWUWOE-SNPRPXQTSA-N 2 0 349.441 2.291 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]C[C@H]1CCOC1 ZINC001444344520 1098909276 /nfs/dbraw/zinc/90/92/76/1098909276.db2.gz GDKAGPNGKPQCIO-JKSUJKDBSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001444346900 1098909329 /nfs/dbraw/zinc/90/93/29/1098909329.db2.gz JDXKWOBSSQTYQB-CYBMUJFWSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001479757127 1098909948 /nfs/dbraw/zinc/90/99/48/1098909948.db2.gz JOSVOMVSXXCMHI-LPHOPBHVSA-N 2 0 344.503 2.060 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CC2CCCC2)CCO1)[NH+](CC)CC ZINC001444440033 1099072917 /nfs/dbraw/zinc/07/29/17/1099072917.db2.gz DMIHYWQSKDFBDQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001444655306 1099490350 /nfs/dbraw/zinc/49/03/50/1099490350.db2.gz OWYDXDMSOCDTPK-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444667097 1099507218 /nfs/dbraw/zinc/50/72/18/1099507218.db2.gz PCHWZKGNDDICTP-CVEARBPZSA-N 2 0 335.467 2.434 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001480140750 1099707356 /nfs/dbraw/zinc/70/73/56/1099707356.db2.gz GEEDENDAZVHWOO-UBHSHLNASA-N 2 0 327.469 2.408 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001444817876 1099746096 /nfs/dbraw/zinc/74/60/96/1099746096.db2.gz NKCVSZQKNFXZDZ-HOTGVXAUSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001480211927 1099821902 /nfs/dbraw/zinc/82/19/02/1099821902.db2.gz YCXQDDLYMAVVFD-HDICACEKSA-N 2 0 349.519 2.082 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC[C@H]1CCCCO1 ZINC001480331830 1100091074 /nfs/dbraw/zinc/09/10/74/1100091074.db2.gz NONNHENSANUJJF-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1F ZINC001480471301 1100277099 /nfs/dbraw/zinc/27/70/99/1100277099.db2.gz DGRBEBJFMGVXJE-CRAIPNDOSA-N 2 0 335.467 2.337 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1conc1C ZINC001495148203 1100819578 /nfs/dbraw/zinc/81/95/78/1100819578.db2.gz ZDOGAOWCBSIAFJ-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC001496369033 1100962726 /nfs/dbraw/zinc/96/27/26/1100962726.db2.gz PPHDCZOSZRCUQD-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001496404714 1100998008 /nfs/dbraw/zinc/99/80/08/1100998008.db2.gz SPPPRDIAMAJVMZ-FUHWJXTLSA-N 2 0 348.491 2.192 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001495362212 1101078022 /nfs/dbraw/zinc/07/80/22/1101078022.db2.gz FIZCGEWIKGZCJY-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)on1 ZINC001495374519 1101090593 /nfs/dbraw/zinc/09/05/93/1101090593.db2.gz SPUHWRDBEDUWPV-INIZCTEOSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@]1(C[NH2+]CC2CC3(CCC3)C2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001446599660 1101094178 /nfs/dbraw/zinc/09/41/78/1101094178.db2.gz DCYSEQJIWQEMSQ-LJQANCHMSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001446607456 1101104638 /nfs/dbraw/zinc/10/46/38/1101104638.db2.gz VIPQQTMJJSTCOV-BXWFABGCSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)c(C)n1 ZINC001496563008 1101164126 /nfs/dbraw/zinc/16/41/26/1101164126.db2.gz WDMQNQJUNOUCTP-BHIYHBOVSA-N 2 0 346.519 2.269 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001496601977 1101202403 /nfs/dbraw/zinc/20/24/03/1101202403.db2.gz FJEWVBYBGVSTQO-DZGCQCFKSA-N 2 0 331.451 2.104 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001495559995 1101271472 /nfs/dbraw/zinc/27/14/72/1101271472.db2.gz MLTRJOIADWKACE-UXHICEINSA-N 2 0 341.499 2.152 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CC[C@H]1CCOC1 ZINC001495667367 1101409704 /nfs/dbraw/zinc/40/97/04/1101409704.db2.gz QKZOAFJRMHRBAN-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001495681877 1101430000 /nfs/dbraw/zinc/43/00/00/1101430000.db2.gz JCVZHFLVWOJLBZ-ZFWWWQNUSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CCc1c(F)cccc1F ZINC001496844483 1101587439 /nfs/dbraw/zinc/58/74/39/1101587439.db2.gz IXXVSZZXRYVZRW-UHFFFAOYSA-N 2 0 341.446 2.238 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)[NH+](C)C ZINC001446960507 1101664268 /nfs/dbraw/zinc/66/42/68/1101664268.db2.gz WUOCMYWNLYEBHS-YSISOKBNSA-N 2 0 327.900 2.438 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001447035223 1101797429 /nfs/dbraw/zinc/79/74/29/1101797429.db2.gz OJYMJSIUXMLFPU-RCCFBDPRSA-N 2 0 339.499 2.389 10 0 EEAERP CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001496097000 1102054579 /nfs/dbraw/zinc/05/45/79/1102054579.db2.gz DQVZZYKMDDCRRB-CQSZACIVSA-N 2 0 332.448 2.119 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2c(o1)CCCC2)NC(=O)C1([NH+](C)C)CCC1 ZINC001497205640 1102124779 /nfs/dbraw/zinc/12/47/79/1102124779.db2.gz LFQKMDPIEXIADQ-AWEZNQCLSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496168718 1102162399 /nfs/dbraw/zinc/16/23/99/1102162399.db2.gz HFUJPODPDBVZKZ-LSDHHAIUSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001496191141 1102195824 /nfs/dbraw/zinc/19/58/24/1102195824.db2.gz GGGKYNMILYVFFY-INIZCTEOSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC001497272250 1102232062 /nfs/dbraw/zinc/23/20/62/1102232062.db2.gz QVCAOOAXMAVPCS-QWHCGFSZSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@H](CC[NH2+]C/C=C/c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497302391 1102282844 /nfs/dbraw/zinc/28/28/44/1102282844.db2.gz BGFDVVGPWLZNBP-ZGRWHYIRSA-N 2 0 327.472 2.280 10 0 EEAERP C[C@H](CC[NH2+]CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497323981 1102325882 /nfs/dbraw/zinc/32/58/82/1102325882.db2.gz RNPLCSFDRNHUJU-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497362548 1102383214 /nfs/dbraw/zinc/38/32/14/1102383214.db2.gz SEIZGZNPLDTWQC-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001447440212 1102658742 /nfs/dbraw/zinc/65/87/42/1102658742.db2.gz PCVNLZSHHYNVPO-FUHWJXTLSA-N 2 0 339.499 2.391 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]C/C=C\c2ccccc2)CCC1 ZINC001497595432 1102721501 /nfs/dbraw/zinc/72/15/01/1102721501.db2.gz DPALRAQESYTXRD-KWUPLBGHSA-N 2 0 327.472 2.446 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCOC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497662009 1102849536 /nfs/dbraw/zinc/84/95/36/1102849536.db2.gz IUDPNQBWRAYNOB-WDPZBSBESA-N 2 0 349.519 2.082 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001447601455 1102953150 /nfs/dbraw/zinc/95/31/50/1102953150.db2.gz PCPBFAFAHXRADO-GOSISDBHSA-N 2 0 346.519 2.447 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001497727981 1102976825 /nfs/dbraw/zinc/97/68/25/1102976825.db2.gz PXVOPGKQHQPLDJ-ARJAWSKDSA-N 2 0 327.472 2.107 10 0 EEAERP COc1ccc(CC[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001447632533 1103000304 /nfs/dbraw/zinc/00/03/04/1103000304.db2.gz KBYWTBCYBIOTQS-WMZOPIPTSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCOCC1 ZINC001447675399 1103095401 /nfs/dbraw/zinc/09/54/01/1103095401.db2.gz GMLNQODLJUFZDU-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CCC2CCOCC2)C1 ZINC001497884994 1103256715 /nfs/dbraw/zinc/25/67/15/1103256715.db2.gz INWFPHWWDMKIQP-AEFFLSMTSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001497926514 1103346867 /nfs/dbraw/zinc/34/68/67/1103346867.db2.gz FDKZGKLOEHNKNO-SJORKVTESA-N 2 0 349.523 2.323 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)s1 ZINC001447919349 1103597873 /nfs/dbraw/zinc/59/78/73/1103597873.db2.gz ZVARSEUSUHENKC-ZIAGYGMSSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(CF)cc1 ZINC001448128683 1104070404 /nfs/dbraw/zinc/07/04/04/1104070404.db2.gz CHXBQGKBABYXQD-YJBOKZPZSA-N 2 0 335.467 2.434 10 0 EEAERP Cc1oncc1C[NH+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448282409 1104315335 /nfs/dbraw/zinc/31/53/35/1104315335.db2.gz RFKBZELAKCAXFU-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCOCC1)[NH+](C)C ZINC001448282037 1104315550 /nfs/dbraw/zinc/31/55/50/1104315550.db2.gz MXAQQWPLLRKPKZ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCc2ccccc2)C1 ZINC001448322941 1104391012 /nfs/dbraw/zinc/39/10/12/1104391012.db2.gz TUTVNZNDARKITN-SJORKVTESA-N 2 0 329.488 2.007 10 0 EEAERP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001494810095 1104401448 /nfs/dbraw/zinc/40/14/48/1104401448.db2.gz YQTWLILQVVLBLQ-HKUYNNGSSA-N 2 0 345.487 2.082 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]Cc2cccnc2C)C1 ZINC001495040567 1104681125 /nfs/dbraw/zinc/68/11/25/1104681125.db2.gz FFKWFHNSCAKQRM-RBUKOAKNSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497984263 1106737666 /nfs/dbraw/zinc/73/76/66/1106737666.db2.gz XLFCGXBCGTUXDB-YMBFEGSUSA-N 2 0 335.879 2.399 10 0 EEAERP Cc1oc(-c2ccco2)nc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001497993711 1106751136 /nfs/dbraw/zinc/75/11/36/1106751136.db2.gz UTQWUIQJNWQNPQ-CYBMUJFWSA-N 2 0 348.447 2.178 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498086238 1106902414 /nfs/dbraw/zinc/90/24/14/1106902414.db2.gz BEPCDCUPEOQUHV-ZDUSSCGKSA-N 2 0 334.464 2.021 10 0 EEAERP 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1107551844 /nfs/dbraw/zinc/55/18/44/1107551844.db2.gz CELPRKRFORCGTD-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)oc1C ZINC001498488690 1107623246 /nfs/dbraw/zinc/62/32/46/1107623246.db2.gz JIXCQURPYQECHR-CVEARBPZSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCC[NH+]1CCCCC1 ZINC001454777844 1107632486 /nfs/dbraw/zinc/63/24/86/1107632486.db2.gz ZLJMUGDGTIXRPU-AEFFLSMTSA-N 2 0 346.523 2.135 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001493210753 1107690010 /nfs/dbraw/zinc/69/00/10/1107690010.db2.gz MJJKPCLBVMYANS-MRXNPFEDSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccnc1 ZINC001498568695 1107736768 /nfs/dbraw/zinc/73/67/68/1107736768.db2.gz YACLPSHKZZUFJF-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001493255576 1107785345 /nfs/dbraw/zinc/78/53/45/1107785345.db2.gz 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C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001472471148 1110557551 /nfs/dbraw/zinc/55/75/51/1110557551.db2.gz BITYWNCRCCECCM-SJORKVTESA-N 2 0 330.476 2.289 10 0 EEAERP COCC[N@H+](CCC(=O)OCc1ccccc1)CC1CC[NH+](C)CC1 ZINC001473703087 1110579116 /nfs/dbraw/zinc/57/91/16/1110579116.db2.gz VWOAZPAKQVBTNN-UHFFFAOYSA-N 2 0 348.487 2.410 10 0 EEAERP COCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001499480216 1112310869 /nfs/dbraw/zinc/31/08/69/1112310869.db2.gz DYNBVAHHTJFXRZ-QZTJIDSGSA-N 2 0 348.491 2.013 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001499480958 1112312870 /nfs/dbraw/zinc/31/28/70/1112312870.db2.gz KTFFROYEXPXULR-SJLPKXTDSA-N 2 0 348.491 2.080 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+]([C@H](C)COC)C2)C1 ZINC001500160758 1112647305 /nfs/dbraw/zinc/64/73/05/1112647305.db2.gz CZLPAGYCRSIQOG-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)n1 ZINC001501135414 1113210806 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343.462 2.392 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)ccc1C ZINC001505678150 1114126153 /nfs/dbraw/zinc/12/61/53/1114126153.db2.gz LOUVGDCUSDZDEF-JKSUJKDBSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505679358 1114126908 /nfs/dbraw/zinc/12/69/08/1114126908.db2.gz UPXKBSNLSFOANV-CABCVRRESA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505680810 1114128192 /nfs/dbraw/zinc/12/81/92/1114128192.db2.gz FRKDYRQYJRFTNJ-JKSUJKDBSA-N 2 0 346.519 2.077 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001505716429 1114148420 /nfs/dbraw/zinc/14/84/20/1114148420.db2.gz HEZHESORZDBRKW-IRXDYDNUSA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506015262 1114346169 /nfs/dbraw/zinc/34/61/69/1114346169.db2.gz RFYQTVBKNBABBU-IRXDYDNUSA-N 2 0 327.513 2.112 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1nccnc1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506534391 1114680189 /nfs/dbraw/zinc/68/01/89/1114680189.db2.gz FPFBVRLVCVZGMW-FUHWJXTLSA-N 2 0 347.507 2.034 10 0 EEAERP CC1(C)C[N@H+](CCCF)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001506752950 1114866621 /nfs/dbraw/zinc/86/66/21/1114866621.db2.gz MWUVFVSXJHNJEY-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001506856305 1114921169 /nfs/dbraw/zinc/92/11/69/1114921169.db2.gz QCMLLEKVUVBHDU-MJGOQNOKSA-N 2 0 347.503 2.041 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001506921036 1114974850 /nfs/dbraw/zinc/97/48/50/1114974850.db2.gz DSDCAQIBHIQENS-XLIONFOSSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1cccnc1C[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001506924473 1114977523 /nfs/dbraw/zinc/97/75/23/1114977523.db2.gz NOIRGUXCWKFUOY-MRXNPFEDSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@H](CCC[NH2+]C[C@@H](O)c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506936676 1114985936 /nfs/dbraw/zinc/98/59/36/1114985936.db2.gz UTYWSMCYXSWNMD-NZSAHSFTSA-N 2 0 347.503 2.079 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507291354 1115176787 /nfs/dbraw/zinc/17/67/87/1115176787.db2.gz VCHKYOYAZVQRPL-SJLPKXTDSA-N 2 0 349.523 2.193 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001508163923 1115432028 /nfs/dbraw/zinc/43/20/28/1115432028.db2.gz ZDMMTZMCWOXGAF-HZPDHXFCSA-N 2 0 339.499 2.437 10 0 EEAERP CC(C)=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001508179972 1115435960 /nfs/dbraw/zinc/43/59/60/1115435960.db2.gz OHAKUITUZHUKOG-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP COCCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001508206029 1115444227 /nfs/dbraw/zinc/44/42/27/1115444227.db2.gz YBZUNOSDRMHXFR-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP CCC[N@H+](CC)CCn1c(CC)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001514697836 1118839426 /nfs/dbraw/zinc/83/94/26/1118839426.db2.gz DLQJCLPJGSVEGR-KRWDZBQOSA-N 2 0 348.539 2.247 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568060383 1124265156 /nfs/dbraw/zinc/26/51/56/1124265156.db2.gz LKMSRKIYISKPEU-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568407791 1124477338 /nfs/dbraw/zinc/47/73/38/1124477338.db2.gz VADJEILLUDFONG-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568758481 1124772568 /nfs/dbraw/zinc/77/25/68/1124772568.db2.gz FVDILZZSGWVQLM-HNNXBMFYSA-N 2 0 329.448 2.365 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568851140 1124871211 /nfs/dbraw/zinc/87/12/11/1124871211.db2.gz YBZFOBNGIKNBDZ-JXCVUKRWSA-N 2 0 333.451 2.461 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568928284 1124959202 /nfs/dbraw/zinc/95/92/02/1124959202.db2.gz KHSSNNMVWZCQRG-MWWKQMNYSA-N 2 0 348.491 2.318 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1F ZINC001568969428 1125007935 /nfs/dbraw/zinc/00/79/35/1125007935.db2.gz LRVRPEITBZQSPD-SNAWJCMRSA-N 2 0 325.403 2.067 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)CC[N@@H+]1C ZINC001569233913 1125183473 /nfs/dbraw/zinc/18/34/73/1125183473.db2.gz XQJHCODZNGKXEZ-STQMWFEESA-N 2 0 336.307 2.474 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1cnccn1 ZINC001569246753 1125192197 /nfs/dbraw/zinc/19/21/97/1125192197.db2.gz OITYYCWWNQOVRU-IRXDYDNUSA-N 2 0 347.507 2.240 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001569258324 1125200897 /nfs/dbraw/zinc/20/08/97/1125200897.db2.gz UCPPUMZTAZBCRS-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP COCC[NH+](CCOC)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000053941996 214205591 /nfs/dbraw/zinc/20/55/91/214205591.db2.gz WGVVEWVTNUXDHT-OAHLLOKOSA-N 2 0 345.281 2.434 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423054243 536595197 /nfs/dbraw/zinc/59/51/97/536595197.db2.gz BNVXQIHHYCSYEG-OAHLLOKOSA-N 2 0 325.884 2.042 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[NH+](C)C)cc1 ZINC000174383969 231194625 /nfs/dbraw/zinc/19/46/25/231194625.db2.gz YXWHTPBYLFGXBS-OALUTQOASA-N 2 0 342.487 2.253 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080097941 539345811 /nfs/dbraw/zinc/34/58/11/539345811.db2.gz BVYLQWXRILJGET-NZSAHSFTSA-N 2 0 344.503 2.433 10 0 EEAERP C[N@H+](CCn1ccnc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000131179131 529940923 /nfs/dbraw/zinc/94/09/23/529940923.db2.gz TZLBGKHNXLKJCZ-HXUWFJFHSA-N 2 0 342.487 2.261 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000166719133 539544224 /nfs/dbraw/zinc/54/42/24/539544224.db2.gz YHVNSDKFYXQYKR-RTBURBONSA-N 3 0 334.552 2.153 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000185630146 539607315 /nfs/dbraw/zinc/60/73/15/539607315.db2.gz JILUDKMMLRMCKQ-UHFFFAOYSA-N 2 0 346.519 2.492 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cn2)C[C@@H](C)O1 ZINC000422878024 240270289 /nfs/dbraw/zinc/27/02/89/240270289.db2.gz IRLJLSZJSQSIGJ-XYVMCAHJSA-N 2 0 332.492 2.302 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cn2)C[C@H](C)O1 ZINC000422878021 240272116 /nfs/dbraw/zinc/27/21/16/240272116.db2.gz IRLJLSZJSQSIGJ-CIRFHOKZSA-N 2 0 332.492 2.302 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(OC)cc2)CCOCC1 ZINC000422900432 240283661 /nfs/dbraw/zinc/28/36/61/240283661.db2.gz QLQRUMAIVVEUQE-KRWDZBQOSA-N 2 0 336.476 2.087 10 0 EEAERP C(C[NH+]1CCC2(CCCCC2)CC1)N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423113527 240369845 /nfs/dbraw/zinc/36/98/45/240369845.db2.gz YKQGZDICUJFDJU-MOPGFXCFSA-N 2 0 335.536 2.389 10 0 EEAERP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000425365434 241142412 /nfs/dbraw/zinc/14/24/12/241142412.db2.gz YIHBLBSYKHEKNW-QZTJIDSGSA-N 2 0 347.528 2.496 10 0 EEAERP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000425345881 241133755 /nfs/dbraw/zinc/13/37/55/241133755.db2.gz KEKOWLPTUDBZPY-FGTMMUONSA-N 2 0 347.528 2.368 10 0 EEAERP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000457523950 244578158 /nfs/dbraw/zinc/57/81/58/244578158.db2.gz XTAXDVOSGOMAGY-MOPGFXCFSA-N 2 0 342.487 2.128 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCC(O)CC1 ZINC000268804220 252257029 /nfs/dbraw/zinc/25/70/29/252257029.db2.gz BXSKGPNWEWULMD-RXVVDRJESA-N 2 0 345.531 2.333 10 0 EEAERP CCN1CCC[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)[C@@H]1c1cnn(C)c1 ZINC000261985083 285228914 /nfs/dbraw/zinc/22/89/14/285228914.db2.gz RUMJARFWTJEBIF-PKOBYXMFSA-N 2 0 333.524 2.125 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)nc2ccccc21 ZINC000247020798 256015187 /nfs/dbraw/zinc/01/51/87/256015187.db2.gz SMFHCKRCWXYWJU-HOTGVXAUSA-N 2 0 326.444 2.430 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000241262008 258000752 /nfs/dbraw/zinc/00/07/52/258000752.db2.gz LANGEQYHGIRZFN-CZUORRHYSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CC[NH+](CC)CC)C1 ZINC000352256925 153025842 /nfs/dbraw/zinc/02/58/42/153025842.db2.gz NGUYHFZMHZPTBO-INIZCTEOSA-N 2 0 347.569 2.148 10 0 EEAERP COCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737356 159056241 /nfs/dbraw/zinc/05/62/41/159056241.db2.gz NELJBVGOTCFVJX-KRWDZBQOSA-N 2 0 347.503 2.303 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105134875 159297057 /nfs/dbraw/zinc/29/70/57/159297057.db2.gz NDEUSNNKYNTFJV-ZWKOTPCHSA-N 2 0 336.524 2.378 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000119308456 159376611 /nfs/dbraw/zinc/37/66/11/159376611.db2.gz IFWRVSKHSKVGPM-MSOLQXFVSA-N 2 0 336.524 2.234 10 0 EEAERP Cc1nccnc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000188083157 160116200 /nfs/dbraw/zinc/11/62/00/160116200.db2.gz DLVYJXZGBIXPGU-QGZVFWFLSA-N 2 0 331.508 2.386 10 0 EEAERP CC(C)[C@@H](NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(F)cc1 ZINC000193634127 160184585 /nfs/dbraw/zinc/18/45/85/160184585.db2.gz ZICHCDJIVWAYAC-JTDSTZFVSA-N 2 0 333.451 2.132 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000245423601 160233945 /nfs/dbraw/zinc/23/39/45/160233945.db2.gz RBUUFWYLOOLNMZ-JKSUJKDBSA-N 2 0 326.529 2.479 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000246369059 160276245 /nfs/dbraw/zinc/27/62/45/160276245.db2.gz QEPUQLBBBCNDOH-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000246386468 160276375 /nfs/dbraw/zinc/27/63/75/160276375.db2.gz KGOMRLXNTDJDAM-BHIYHBOVSA-N 2 0 346.519 2.187 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000246408757 160277161 /nfs/dbraw/zinc/27/71/61/160277161.db2.gz BAMUBYVWGHKKLJ-NEWSRXKRSA-N 2 0 342.487 2.139 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246527701 160283837 /nfs/dbraw/zinc/28/38/37/160283837.db2.gz XRFVPWGVBRNTFG-QRVBRYPASA-N 2 0 344.503 2.037 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000247513431 160327031 /nfs/dbraw/zinc/32/70/31/160327031.db2.gz QDFQXSAKMFXSMC-HOTGVXAUSA-N 2 0 334.464 2.152 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000352557212 162185890 /nfs/dbraw/zinc/18/58/90/162185890.db2.gz KSEWRMIMQSRMSE-JWTNVVGKSA-N 2 0 336.524 2.375 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)C1 ZINC000355349884 163155804 /nfs/dbraw/zinc/15/58/04/163155804.db2.gz BJAMNPRGXWQAMR-HUUCEWRRSA-N 2 0 332.492 2.486 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000355556487 163228912 /nfs/dbraw/zinc/22/89/12/163228912.db2.gz OAKMXASVWPQVSR-SFHVURJKSA-N 2 0 326.444 2.115 10 0 EEAERP CCC[C@@H](C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[NH+](C)C ZINC000152542641 292491715 /nfs/dbraw/zinc/49/17/15/292491715.db2.gz WFJXAVPQVKOUCZ-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[NH2+]Cc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364213867 165053719 /nfs/dbraw/zinc/05/37/19/165053719.db2.gz RIASYFAEDMEHEG-GPMSIDNRSA-N 2 0 331.460 2.267 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000375850778 167212067 /nfs/dbraw/zinc/21/20/67/167212067.db2.gz KDFVPVPUUAYDEM-SQNIBIBYSA-N 2 0 333.451 2.408 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[NH+](C)C)cc1 ZINC000376800837 167396140 /nfs/dbraw/zinc/39/61/40/167396140.db2.gz CSLGTNIBWHNVPF-LJQANCHMSA-N 2 0 344.503 2.341 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000278434965 269231712 /nfs/dbraw/zinc/23/17/12/269231712.db2.gz JUMGXACFBUGGRX-UYAOXDASSA-N 2 0 343.515 2.351 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000376137601 279256887 /nfs/dbraw/zinc/25/68/87/279256887.db2.gz ZLDGGPXNHCJTLJ-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000245657060 279336565 /nfs/dbraw/zinc/33/65/65/279336565.db2.gz ONLGBWCVEWADPN-QRQLOZEOSA-N 2 0 344.503 2.463 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457917747 289207069 /nfs/dbraw/zinc/20/70/69/289207069.db2.gz UWEYCGHNDKLTIZ-MOPGFXCFSA-N 2 0 346.519 2.190 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000296810047 294072952 /nfs/dbraw/zinc/07/29/52/294072952.db2.gz FJQTZEJPXGKYEL-MRXNPFEDSA-N 2 0 333.476 2.183 10 0 EEAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000171043022 311399990 /nfs/dbraw/zinc/39/99/90/311399990.db2.gz LGPWPSXSYWFBJU-INIZCTEOSA-N 2 0 326.529 2.479 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284588823 311489808 /nfs/dbraw/zinc/48/98/08/311489808.db2.gz ZOPKLEMMNTXQCQ-WOUAJJJCSA-N 2 0 331.504 2.413 10 0 EEAERP CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H]1C(F)(F)F ZINC000414758235 313078433 /nfs/dbraw/zinc/07/84/33/313078433.db2.gz MKOBEZCKJKSBPE-QWHCGFSZSA-N 2 0 335.414 2.094 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416785430 313315526 /nfs/dbraw/zinc/31/55/26/313315526.db2.gz KWPPMQRBRZFTAZ-IPMKNSEASA-N 2 0 342.487 2.217 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000416838462 313330758 /nfs/dbraw/zinc/33/07/58/313330758.db2.gz JGJOYTWTOZARQU-KBAYOESNSA-N 2 0 332.492 2.367 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416843305 313332998 /nfs/dbraw/zinc/33/29/98/313332998.db2.gz OKOSAUUUFSLFTQ-BZUAXINKSA-N 2 0 348.516 2.278 10 0 EEAERP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416906398 313357008 /nfs/dbraw/zinc/35/70/08/313357008.db2.gz SDTPFQGJGPXBLJ-KRWDZBQOSA-N 2 0 344.503 2.471 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417927125 313653010 /nfs/dbraw/zinc/65/30/10/313653010.db2.gz FJRACANVTIRYLB-UHFFFAOYSA-N 2 0 346.519 2.320 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000418585487 313853676 /nfs/dbraw/zinc/85/36/76/313853676.db2.gz DIPPXYZSHPXMPW-AEFFLSMTSA-N 2 0 332.492 2.066 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000517238103 316653599 /nfs/dbraw/zinc/65/35/99/316653599.db2.gz ZPOGUCASKAVQKG-QTUASDBPSA-N 2 0 345.462 2.390 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC23CCOCC3)(N2CCCCC2)CC1 ZINC000548860195 318416269 /nfs/dbraw/zinc/41/62/69/318416269.db2.gz QTHAEOOSZDBGGD-GOSISDBHSA-N 2 0 335.536 2.486 10 0 EEAERP CC(C)[NH+](CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000565420749 319181408 /nfs/dbraw/zinc/18/14/08/319181408.db2.gz MEGLPIKVNBLSLU-FRQCXROJSA-N 2 0 339.524 2.144 10 0 EEAERP C[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000565823644 319217534 /nfs/dbraw/zinc/21/75/34/319217534.db2.gz OENSAFNAUDPCRT-MAUKXSAKSA-N 2 0 329.488 2.286 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC(CC[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000566352513 319277824 /nfs/dbraw/zinc/27/78/24/319277824.db2.gz PHNINHUGCRTARN-ROUUACIJSA-N 2 0 330.476 2.202 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000566610131 319304796 /nfs/dbraw/zinc/30/47/96/319304796.db2.gz AYNUXVHTZKSNGD-KVWWFHCMSA-N 2 0 344.503 2.293 10 0 EEAERP [NH3+][C@@H]1CCc2ncc(NC(=O)NC3CC([NH+]4CCCCC4)C3)cc2C1 ZINC000567358892 319373371 /nfs/dbraw/zinc/37/33/71/319373371.db2.gz ZGZITICLAZZEBW-HPUBIQBYSA-N 2 0 343.475 2.036 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000580532892 324081116 /nfs/dbraw/zinc/08/11/16/324081116.db2.gz NOCPBMVJUQOOSD-CMKODMSKSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@@]1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581478530 324261321 /nfs/dbraw/zinc/26/13/21/324261321.db2.gz VZZATBQBZGYHSR-ICSRJNTNSA-N 2 0 344.503 2.421 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCCC1 ZINC000582664144 324499825 /nfs/dbraw/zinc/49/98/25/324499825.db2.gz BLMAXKZDEYQQSV-KRWDZBQOSA-N 2 0 330.476 2.129 10 0 EEAERP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)c3cccnc3)ccn2)CC1 ZINC000092743227 462978008 /nfs/dbraw/zinc/97/80/08/462978008.db2.gz CLIWQUUHRJTGFT-INIZCTEOSA-N 2 0 325.460 2.469 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000358643868 465238840 /nfs/dbraw/zinc/23/88/40/465238840.db2.gz FVKYQPPTRVBNSI-UHFFFAOYSA-N 2 0 334.464 2.005 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)[C@@H](C)C1 ZINC000329200756 465265109 /nfs/dbraw/zinc/26/51/09/465265109.db2.gz WKFRNJYENRMREF-XZDPQHSOSA-N 2 0 334.464 2.487 10 0 EEAERP OC1(C[NH+]2CCOCC2)CCN(c2nccc3cc(F)ccc32)CC1 ZINC000568260386 468310875 /nfs/dbraw/zinc/31/08/75/468310875.db2.gz WPYZDNSRBLMLHT-UHFFFAOYSA-N 2 0 345.418 2.037 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000552238967 468319828 /nfs/dbraw/zinc/31/98/28/468319828.db2.gz XIMAYQWWGXSBIJ-ACRUOGEOSA-N 2 0 342.531 2.271 10 0 EEAERP C(CN1CCC([NH+]2CCCC2)CC1)CN1CCC([NH+]2CCCC2)CC1 ZINC000157904751 463183588 /nfs/dbraw/zinc/18/35/88/463183588.db2.gz PGOGJRFOPQBXBE-UHFFFAOYSA-N 2 0 348.579 2.497 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000069431885 463245730 /nfs/dbraw/zinc/24/57/30/463245730.db2.gz HWIXCMGEDQLTTB-UHFFFAOYSA-N 2 0 346.393 2.422 10 0 EEAERP CCOCC[NH+]1CCC2(CCN(c3cc[nH+]c(C)c3)C[C@@H]2CO)CC1 ZINC000097136973 463332830 /nfs/dbraw/zinc/33/28/30/463332830.db2.gz FLDGCOJTAMVQNP-GOSISDBHSA-N 2 0 347.503 2.327 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000125792569 463578669 /nfs/dbraw/zinc/57/86/69/463578669.db2.gz ZDFBBTRNQYGPIL-MRXNPFEDSA-N 2 0 347.503 2.244 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000073104132 463584297 /nfs/dbraw/zinc/58/42/97/463584297.db2.gz JULUWNGKDRMLPD-KRWDZBQOSA-N 2 0 344.503 2.453 10 0 EEAERP COCCN1CC[C@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000286883791 463733360 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QGSHMBKGZNEKBU-SOLBZPMBSA-N 2 0 330.480 2.068 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175109636 464492316 /nfs/dbraw/zinc/49/23/16/464492316.db2.gz WOTAJTCJYJPLJL-IBGZPJMESA-N 2 0 344.503 2.043 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000246404498 464580753 /nfs/dbraw/zinc/58/07/53/464580753.db2.gz KLIVBVZSUGQVQL-XHSDSOJGSA-N 2 0 326.529 2.334 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000246454579 464587257 /nfs/dbraw/zinc/58/72/57/464587257.db2.gz OVRDEIBJUIIKSU-KURKYZTESA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000246558744 464599322 /nfs/dbraw/zinc/59/93/22/464599322.db2.gz YXOYDHVCECMCFI-ZWKOTPCHSA-N 2 0 348.466 2.308 10 0 EEAERP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CCc2sccc2C1 ZINC000183341595 464852015 /nfs/dbraw/zinc/85/20/15/464852015.db2.gz DBKUYIGZEUEKDG-ZDUSSCGKSA-N 2 0 344.484 2.386 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000183427352 464863164 /nfs/dbraw/zinc/86/31/64/464863164.db2.gz YUXNFQBTCNWVLZ-QGZVFWFLSA-N 2 0 330.407 2.319 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000249751819 464913268 /nfs/dbraw/zinc/91/32/68/464913268.db2.gz DLBUVSYMABWEPO-SJLPKXTDSA-N 2 0 348.491 2.081 10 0 EEAERP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351920097 465442757 /nfs/dbraw/zinc/44/27/57/465442757.db2.gz WXOPNVINIUILSW-QGZVFWFLSA-N 2 0 337.508 2.009 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000366260428 465619042 /nfs/dbraw/zinc/61/90/42/465619042.db2.gz XSWBBVKOYWVOTA-UHFFFAOYSA-N 2 0 334.508 2.177 10 0 EEAERP COc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534767 465787922 /nfs/dbraw/zinc/78/79/22/465787922.db2.gz LVSVGTXNGZNVID-IFXJQAMLSA-N 2 0 347.459 2.058 10 0 EEAERP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2c(s1)CCC2 ZINC000361183238 465821085 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IMWYEPODHQDSFA-OAHLLOKOSA-N 2 0 342.447 2.005 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349819589 466256034 /nfs/dbraw/zinc/25/60/34/466256034.db2.gz JOHIYEDHUMRIRI-DOTOQJQBSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCSC[C@@H]2C)CC1 ZINC000349873463 466287033 /nfs/dbraw/zinc/28/70/33/466287033.db2.gz CMRCVGUQAKJMDN-IRXDYDNUSA-N 2 0 347.528 2.329 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367620000 466454385 /nfs/dbraw/zinc/45/43/85/466454385.db2.gz XNQPMKOMESEMQA-ZSYWTGECSA-N 2 0 334.460 2.200 10 0 EEAERP CCC1(C)CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000362007440 466476537 /nfs/dbraw/zinc/47/65/37/466476537.db2.gz CBRNTAOXBWOQIE-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361377 466506544 /nfs/dbraw/zinc/50/65/44/466506544.db2.gz HFHDKVWNEPXIDZ-APWZRJJASA-N 2 0 329.488 2.376 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000417316978 466831828 /nfs/dbraw/zinc/83/18/28/466831828.db2.gz VMCFFFNVHSWKOX-FGTMMUONSA-N 2 0 330.476 2.134 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000417316984 466832658 /nfs/dbraw/zinc/83/26/58/466832658.db2.gz VMHYZCFCGDNZCT-CVEARBPZSA-N 2 0 334.464 2.198 10 0 EEAERP c1cn2c(n1)C[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000365545047 466856226 /nfs/dbraw/zinc/85/62/26/466856226.db2.gz BDROYKGXHFOPHH-INIZCTEOSA-N 2 0 326.444 2.072 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417444757 466860363 /nfs/dbraw/zinc/86/03/63/466860363.db2.gz DPNFWBJHZXEWFC-IHXKFAGKSA-N 2 0 336.524 2.170 10 0 EEAERP O=C(C[N@@H+]1CCSC2(CCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000411870110 466921552 /nfs/dbraw/zinc/92/15/52/466921552.db2.gz OIUFAFLOEPUQNS-UHFFFAOYSA-N 2 0 337.533 2.091 10 0 EEAERP C[C@@H](CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417816957 466943889 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347.503 2.192 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cn2)CC1 ZINC000449082933 467617054 /nfs/dbraw/zinc/61/70/54/467617054.db2.gz QXDPIMMCHNZWRA-SFHVURJKSA-N 2 0 344.503 2.415 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C2CCOCC2)CC1 ZINC000449156018 467621102 /nfs/dbraw/zinc/62/11/02/467621102.db2.gz REDZHAXJTSTSGZ-UWJYYQICSA-N 2 0 346.515 2.459 10 0 EEAERP COCCOc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247955 467968489 /nfs/dbraw/zinc/96/84/89/467968489.db2.gz FGTHFHVIIANUCI-LJQANCHMSA-N 2 0 348.487 2.302 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000578743117 468249394 /nfs/dbraw/zinc/24/93/94/468249394.db2.gz GLVUFAAFFDCJKS-GBESFXJTSA-N 2 0 338.455 2.431 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)CCC2 ZINC000594494780 468608298 /nfs/dbraw/zinc/60/82/98/468608298.db2.gz FZRFSFYZJHELBU-KXBFYZLASA-N 2 0 346.471 2.409 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000572346935 468919566 /nfs/dbraw/zinc/91/95/66/468919566.db2.gz GNDOMZRPCIMAJZ-KNCOVGOOSA-N 2 0 336.505 2.262 10 0 EEAERP C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000573306747 469102561 /nfs/dbraw/zinc/10/25/61/469102561.db2.gz KBEPDDIGDCDPSV-LBPRGKRZSA-N 2 0 332.423 2.243 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625940644 469442463 /nfs/dbraw/zinc/44/24/63/469442463.db2.gz OAZIJWGWKFIOJO-AWEZNQCLSA-N 2 0 334.464 2.411 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000629529121 469573018 /nfs/dbraw/zinc/57/30/18/469573018.db2.gz SADAGKAIZLNILY-LLVKDONJSA-N 2 0 331.254 2.344 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629524412 469573097 /nfs/dbraw/zinc/57/30/97/469573097.db2.gz QZXKEGHXUCVANE-UHIISALHSA-N 2 0 340.265 2.330 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340469 469629866 /nfs/dbraw/zinc/62/98/66/469629866.db2.gz JGLMWIPTSARQTG-RBUKOAKNSA-N 2 0 331.504 2.350 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000626924903 469756558 /nfs/dbraw/zinc/75/65/58/469756558.db2.gz FZCZOJOEHAVEAD-QAPCUYQASA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000626936563 469761802 /nfs/dbraw/zinc/76/18/02/469761802.db2.gz JFXLODPTSHWZFV-BBWFWOEESA-N 2 0 336.524 2.328 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626939444 469762757 /nfs/dbraw/zinc/76/27/57/469762757.db2.gz DLKGDJUPUODLTC-BPQIPLTHSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627195451 469840343 /nfs/dbraw/zinc/84/03/43/469840343.db2.gz KXJVNSFWEGRGAX-PBHICJAKSA-N 2 0 336.455 2.039 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC[N@@H+]1C ZINC000630576065 469907427 /nfs/dbraw/zinc/90/74/27/469907427.db2.gz GNUVHHOIKMUAEN-RCCFBDPRSA-N 2 0 333.476 2.144 10 0 EEAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000614329805 469910789 /nfs/dbraw/zinc/91/07/89/469910789.db2.gz JCUNRRKUGOTPFN-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP O[C@]1(CNC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC000634722271 470286419 /nfs/dbraw/zinc/28/64/19/470286419.db2.gz MOGBWHRDKDXDBH-RTWAWAEBSA-N 2 0 343.515 2.230 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000648808512 470355620 /nfs/dbraw/zinc/35/56/20/470355620.db2.gz CZUBZQSINDQZAN-HOCLYGCPSA-N 2 0 346.393 2.372 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000648808511 470355714 /nfs/dbraw/zinc/35/57/14/470355714.db2.gz CZUBZQSINDQZAN-GOEBONIOSA-N 2 0 346.393 2.372 10 0 EEAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000646106711 470529110 /nfs/dbraw/zinc/52/91/10/470529110.db2.gz MULXAYDVEBTGSI-QGZVFWFLSA-N 2 0 338.879 2.040 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000650057804 470780675 /nfs/dbraw/zinc/78/06/75/470780675.db2.gz CAIOXEXVMSIZJK-UHFFFAOYSA-N 2 0 330.436 2.367 10 0 EEAERP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC(=O)N1Cc1ccccc1 ZINC000647796606 470986191 /nfs/dbraw/zinc/98/61/91/470986191.db2.gz GGVAUCYWUMGFNI-QFACEVIFSA-N 2 0 327.472 2.154 10 0 EEAERP Cc1ccccc1-n1cc(CN(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000648034973 471061644 /nfs/dbraw/zinc/06/16/44/471061644.db2.gz MTMCHSOYTAOBLO-UHFFFAOYSA-N 2 0 329.492 2.106 10 0 EEAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000654561769 471072541 /nfs/dbraw/zinc/07/25/41/471072541.db2.gz PAVXKEWDPBYVQI-ONIAQPFYSA-N 2 0 332.492 2.317 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648157264 471104568 /nfs/dbraw/zinc/10/45/68/471104568.db2.gz QZZFXWJTMWSXQR-UHFFFAOYSA-N 2 0 341.499 2.441 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000651954127 471182552 /nfs/dbraw/zinc/18/25/52/471182552.db2.gz FQUFFEZLSAPLBN-UHFFFAOYSA-N 2 0 337.431 2.079 10 0 EEAERP O=C1CCCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000651997486 471198134 /nfs/dbraw/zinc/19/81/34/471198134.db2.gz GJRVBBOTJOFKGH-YQQQUEKLSA-N 2 0 327.472 2.394 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655514111 471359152 /nfs/dbraw/zinc/35/91/52/471359152.db2.gz MYHAQUCWXTYWAW-CQSZACIVSA-N 2 0 347.381 2.027 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655514110 471359581 /nfs/dbraw/zinc/35/95/81/471359581.db2.gz MYHAQUCWXTYWAW-AWEZNQCLSA-N 2 0 347.381 2.027 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698086 471447239 /nfs/dbraw/zinc/44/72/39/471447239.db2.gz WALOHPSIELSCQZ-UXHICEINSA-N 2 0 331.504 2.002 10 0 EEAERP CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663620937 471450691 /nfs/dbraw/zinc/45/06/91/471450691.db2.gz SLHDQQKQWZEAIL-ROUUACIJSA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659038604 471480530 /nfs/dbraw/zinc/48/05/30/471480530.db2.gz TXYCODXXVMVMIC-QGZVFWFLSA-N 2 0 334.464 2.151 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659044479 471485393 /nfs/dbraw/zinc/48/53/93/471485393.db2.gz UZZVADUXXZRAJF-ZWKOTPCHSA-N 2 0 346.475 2.296 10 0 EEAERP CC[C@@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000669515817 471530994 /nfs/dbraw/zinc/53/09/94/471530994.db2.gz DEXDURZATURNRD-VQIMIIECSA-N 2 0 329.488 2.428 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000669530019 471536107 /nfs/dbraw/zinc/53/61/07/471536107.db2.gz NUEBBVGLLDTOCT-GOSISDBHSA-N 2 0 332.492 2.074 10 0 EEAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659436217 471626416 /nfs/dbraw/zinc/62/64/16/471626416.db2.gz ISOPAAVWLVVRQM-WJFTUGDTSA-N 2 0 342.487 2.058 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659484246 471650618 /nfs/dbraw/zinc/65/06/18/471650618.db2.gz QVAKUQDVSHKIHD-KGXSXCIVSA-N 2 0 342.487 2.030 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000667150346 471672793 /nfs/dbraw/zinc/67/27/93/471672793.db2.gz KYXMKAKLORJVTE-KRWDZBQOSA-N 2 0 348.491 2.196 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000659621097 471701521 /nfs/dbraw/zinc/70/15/21/471701521.db2.gz UKYYZRZKMUQXPQ-CEXWTWQISA-N 2 0 344.503 2.133 10 0 EEAERP CCN(C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664498797 471770286 /nfs/dbraw/zinc/77/02/86/471770286.db2.gz OHUKFDKDCGCEBB-ZWKOTPCHSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690197 471853798 /nfs/dbraw/zinc/85/37/98/471853798.db2.gz OKHKAQLZJLWIHB-DLBZAZTESA-N 2 0 348.466 2.190 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000654358113 471926675 /nfs/dbraw/zinc/92/66/75/471926675.db2.gz WQRNTPRRXAJRKP-UWUNEBHHSA-N 2 0 344.503 2.422 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000667999546 471975716 /nfs/dbraw/zinc/97/57/16/471975716.db2.gz QXHRUCBXCQWLRA-UHFFFAOYSA-N 2 0 329.488 2.379 10 0 EEAERP C[NH+](C)CCN(Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccn1 ZINC000668161815 472032968 /nfs/dbraw/zinc/03/29/68/472032968.db2.gz FTTZOIHGUUZDPF-UHFFFAOYSA-N 2 0 336.443 2.226 10 0 EEAERP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000662337922 472077567 /nfs/dbraw/zinc/07/75/67/472077567.db2.gz NUEUFMPYNYDBGT-XMTFNYHQSA-N 2 0 343.519 2.435 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)C1 ZINC000668490433 472144095 /nfs/dbraw/zinc/14/40/95/472144095.db2.gz VNQGKAHCMCVRCM-HXUWFJFHSA-N 2 0 337.467 2.427 10 0 EEAERP CC1(C)CN(C(=O)CC[NH3+])[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758479 472238486 /nfs/dbraw/zinc/23/84/86/472238486.db2.gz PAVKSDSAKJZUCK-IBGZPJMESA-N 2 0 329.488 2.484 10 0 EEAERP C[C@]([NH3+])(C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000662883434 472290890 /nfs/dbraw/zinc/29/08/90/472290890.db2.gz JZXCXDNKIPRSRX-PKOBYXMFSA-N 2 0 325.412 2.160 10 0 EEAERP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000684370239 485860307 /nfs/dbraw/zinc/86/03/07/485860307.db2.gz QGXPXGALFKQIHF-UXHICEINSA-N 2 0 331.504 2.481 10 0 EEAERP CC[N@@H+]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C[C@H]1C ZINC000677181490 486388221 /nfs/dbraw/zinc/38/82/21/486388221.db2.gz ACTJIBOMXBFXIK-MRXNPFEDSA-N 2 0 330.476 2.159 10 0 EEAERP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000677363316 486422410 /nfs/dbraw/zinc/42/24/10/486422410.db2.gz FNDOXHUCVYZLPF-IRXDYDNUSA-N 2 0 329.488 2.450 10 0 EEAERP COc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CC[NH+](C)CC1 ZINC000169976620 490682458 /nfs/dbraw/zinc/68/24/58/490682458.db2.gz PNTRUYXRHSSKJN-UHFFFAOYSA-N 2 0 332.275 2.339 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C[C@H]1C ZINC000415964700 527968539 /nfs/dbraw/zinc/96/85/39/527968539.db2.gz YCSOIVJYADMLNR-OLZOCXBDSA-N 2 0 334.439 2.418 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416237212 528233026 /nfs/dbraw/zinc/23/30/26/528233026.db2.gz BHUKTRSBGWCWMC-IBGZPJMESA-N 2 0 329.488 2.425 10 0 EEAERP CCC[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000748596908 576353852 /nfs/dbraw/zinc/35/38/52/576353852.db2.gz JCULWJPAPNJVSK-MRXNPFEDSA-N 2 0 326.554 2.057 10 0 EEAERP C[NH+](C)[C@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc2)C1 ZINC000774300136 577394279 /nfs/dbraw/zinc/39/42/79/577394279.db2.gz AJGVYHSIHCOSJW-MMNRESRNSA-N 2 0 329.492 2.259 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000247132847 675627216 /nfs/dbraw/zinc/62/72/16/675627216.db2.gz KKZHSLDPYCUMTR-KBXCAEBGSA-N 2 0 340.895 2.398 10 0 EEAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000924936120 681715395 /nfs/dbraw/zinc/71/53/95/681715395.db2.gz BYHJRCQWCMOEKC-LJQANCHMSA-N 2 0 348.487 2.445 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C1CCC1 ZINC000925039059 682650055 /nfs/dbraw/zinc/65/00/55/682650055.db2.gz ABRXMFMQYRYHFY-CVEARBPZSA-N 2 0 331.508 2.427 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000923902804 693854539 /nfs/dbraw/zinc/85/45/39/693854539.db2.gz UQWPCWRYUWTWMX-UHFFFAOYSA-N 2 0 333.480 2.210 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc(-c3ccccc3C[NH3+])n2)ccn1 ZINC000904098431 694289684 /nfs/dbraw/zinc/28/96/84/694289684.db2.gz VINHETNRDHTAOT-UHFFFAOYSA-N 2 0 339.399 2.198 10 0 EEAERP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@H]1c1ccccc1 ZINC000897832383 691796635 /nfs/dbraw/zinc/79/66/35/691796635.db2.gz YLGMEBKFXYDWDL-QWFCFKBJSA-N 2 0 327.472 2.234 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001272726222 1192359828 /nfs/dbraw/zinc/35/98/28/1192359828.db2.gz BKKHOPZGEYPSML-MBTZBAHCSA-N 2 0 339.911 2.345 10 0 EEAERP CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccc(Cl)s1 ZINC001480866206 1176142464 /nfs/dbraw/zinc/14/24/64/1176142464.db2.gz XFQXUXBPMVQQQC-CQSZACIVSA-N 2 0 341.908 2.291 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)Cc1ccc(Cl)nc1 ZINC001691023797 1176507347 /nfs/dbraw/zinc/50/73/47/1176507347.db2.gz RSATXXPBGCKOTD-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702155 1177228151 /nfs/dbraw/zinc/22/81/51/1177228151.db2.gz QLHBBDKTKVJKIS-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001267057540 1178165299 /nfs/dbraw/zinc/16/52/99/1178165299.db2.gz ILUOENALOVBWCG-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCOC(C)C)C1)[NH+](C)C ZINC001267113796 1178272322 /nfs/dbraw/zinc/27/23/22/1178272322.db2.gz SFBJTXGNQYZTRN-IRXDYDNUSA-N 2 0 327.513 2.065 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCCCF ZINC001279578269 1178302449 /nfs/dbraw/zinc/30/24/49/1178302449.db2.gz XKLDSWWDMHEXDD-YESZJQIVSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001267138796 1178311390 /nfs/dbraw/zinc/31/13/90/1178311390.db2.gz BRNCEEZIKPDKLP-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)c1sccc1C[NH+](C)C ZINC001267380497 1178930304 /nfs/dbraw/zinc/93/03/04/1178930304.db2.gz PTDTYHWOHPNSTB-HNNXBMFYSA-N 2 0 339.505 2.040 10 0 EEAERP Cc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)n1 ZINC001481060257 1179653446 /nfs/dbraw/zinc/65/34/46/1179653446.db2.gz YHHWTQXYFLIPPO-HNAYVOBHSA-N 2 0 344.503 2.121 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267689626 1180166730 /nfs/dbraw/zinc/16/67/30/1180166730.db2.gz GZURCZJEMNJHBH-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267795103 1180542838 /nfs/dbraw/zinc/54/28/38/1180542838.db2.gz VEBPMDKDIDANEM-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267885841 1180686636 /nfs/dbraw/zinc/68/66/36/1180686636.db2.gz BJBQJMNWJFDWDV-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)co1 ZINC001267912315 1180750727 /nfs/dbraw/zinc/75/07/27/1180750727.db2.gz PELQIPOIAAMGMT-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001267938438 1180793523 /nfs/dbraw/zinc/79/35/23/1180793523.db2.gz WNUPIVVGZPAFHS-DNVCBOLYSA-N 2 0 347.478 2.482 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CCCCCF)CC1 ZINC001267946672 1180805619 /nfs/dbraw/zinc/80/56/19/1180805619.db2.gz XEQPCGIYKPZWLC-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001481290013 1180889114 /nfs/dbraw/zinc/88/91/14/1180889114.db2.gz ACJYZAOBRJOARM-GJZGRUSLSA-N 2 0 329.435 2.097 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2cccc(N(C)C)c2)CC1 ZINC001481295435 1180937934 /nfs/dbraw/zinc/93/79/34/1180937934.db2.gz VDVBCHVYHBVXPN-UHFFFAOYSA-N 2 0 346.519 2.033 10 0 EEAERP Cc1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464530 1181474874 /nfs/dbraw/zinc/47/48/74/1181474874.db2.gz KRVPDLLZMGNMDK-SFHVURJKSA-N 2 0 329.488 2.419 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268062954 1181648984 /nfs/dbraw/zinc/64/89/84/1181648984.db2.gz GARWOXXVCIGZRU-NPEFWANSSA-N 2 0 329.488 2.477 10 0 EEAERP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001268070657 1181668824 /nfs/dbraw/zinc/66/88/24/1181668824.db2.gz JIHJTLWVJXLEHF-NVXWUHKLSA-N 2 0 332.492 2.462 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001268140300 1181802164 /nfs/dbraw/zinc/80/21/64/1181802164.db2.gz HAJLBVQEBQIWIV-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001268169195 1181926814 /nfs/dbraw/zinc/92/68/14/1181926814.db2.gz ACHMRUFKTZLFTL-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001268180025 1181961801 /nfs/dbraw/zinc/96/18/01/1181961801.db2.gz UCKSJPNQJQEFBJ-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001268269182 1182117677 /nfs/dbraw/zinc/11/76/77/1182117677.db2.gz LMXJJURDNQNTSB-SJORKVTESA-N 2 0 325.472 2.145 10 0 EEAERP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001481673027 1182187116 /nfs/dbraw/zinc/18/71/16/1182187116.db2.gz PYMBZKDGSLBMTA-GBESFXJTSA-N 2 0 349.519 2.105 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOCC(C)C)C1 ZINC001481753860 1182552300 /nfs/dbraw/zinc/55/23/00/1182552300.db2.gz ZKZMKZGAWGAKLB-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001268426635 1182594795 /nfs/dbraw/zinc/59/47/95/1182594795.db2.gz QLCFLUCPMAXPIQ-OAHLLOKOSA-N 2 0 333.476 2.041 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C2CC2)no1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268450633 1182637002 /nfs/dbraw/zinc/63/70/02/1182637002.db2.gz ZIKFGKNBVHHUHG-GOSISDBHSA-N 2 0 348.491 2.363 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001268452141 1182653273 /nfs/dbraw/zinc/65/32/73/1182653273.db2.gz WYSPDSKWIAUAMV-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nc(C)sc1C ZINC001481850333 1182800729 /nfs/dbraw/zinc/80/07/29/1182800729.db2.gz LADXSWQXLOORCV-IUODEOHRSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001481930229 1182976229 /nfs/dbraw/zinc/97/62/29/1182976229.db2.gz FVZQUZFOBVSTED-FOGWMIFDSA-N 2 0 327.900 2.344 10 0 EEAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1nc(C)cs1)C1CC1)[NH+](C)C ZINC001481933960 1182986599 /nfs/dbraw/zinc/98/65/99/1182986599.db2.gz TVMUCEILUGHVGA-PBHICJAKSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cccc(C[NH2+]C[C@](C)(NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001481952773 1183023098 /nfs/dbraw/zinc/02/30/98/1183023098.db2.gz UCFKZNSOPCTSEM-FQEVSTJZSA-N 2 0 329.488 2.465 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001481953341 1183030067 /nfs/dbraw/zinc/03/00/67/1183030067.db2.gz XSAQDIZRVBSECP-DNVCBOLYSA-N 2 0 333.451 2.152 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)co1 ZINC001482002844 1183119570 /nfs/dbraw/zinc/11/95/70/1183119570.db2.gz UQHUZPNBKCSWRU-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CCOCC[NH+]1CCC(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001482052088 1183248250 /nfs/dbraw/zinc/24/82/50/1183248250.db2.gz ZYBZCYKXMLTYCX-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001268585963 1183375172 /nfs/dbraw/zinc/37/51/72/1183375172.db2.gz CNALHJJKVCYLLX-FUTAKVPZSA-N 2 0 339.430 2.313 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CC=C(Cl)Cl ZINC001482148581 1183465609 /nfs/dbraw/zinc/46/56/09/1183465609.db2.gz LYPNJBZWEHBXGN-LBPRGKRZSA-N 2 0 336.307 2.379 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268598495 1183502138 /nfs/dbraw/zinc/50/21/38/1183502138.db2.gz XLTREGISXGVTCR-OOFWQKGWSA-N 2 0 344.503 2.417 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268686597 1183610558 /nfs/dbraw/zinc/61/05/58/1183610558.db2.gz IOEMMMZNZLKUHB-JXFKEZNVSA-N 2 0 343.515 2.228 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F)ccc2c[nH+]cn21 ZINC001268693598 1183613216 /nfs/dbraw/zinc/61/32/16/1183613216.db2.gz IWWDAPXWYQVQNH-JTQLQIEISA-N 2 0 328.338 2.303 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]Cc2cncc(F)c2)ccc2c[nH+]cn21 ZINC001268693621 1183614209 /nfs/dbraw/zinc/61/42/09/1183614209.db2.gz JXBHZKKIZHGLOI-LBPRGKRZSA-N 2 0 341.390 2.085 10 0 EEAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268800382 1183715995 /nfs/dbraw/zinc/71/59/95/1183715995.db2.gz MDCDEJLEQHBMQG-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCO1)[NH+]1CCCCCC1 ZINC001268868582 1183777159 /nfs/dbraw/zinc/77/71/59/1183777159.db2.gz IJNSWALSVSDJQO-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+]1CCCCCC1 ZINC001269124268 1183983250 /nfs/dbraw/zinc/98/32/50/1183983250.db2.gz HSYMGWNNSBOJAK-YRPJOXRESA-N 2 0 327.900 2.488 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCc2ccsc2)C2CC2)C1 ZINC001269145110 1184000552 /nfs/dbraw/zinc/00/05/52/1184000552.db2.gz NGRXCKIUTSQKFQ-IAGOWNOFSA-N 2 0 335.517 2.117 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C[C@@H]1C ZINC001269982277 1184759522 /nfs/dbraw/zinc/75/95/22/1184759522.db2.gz VHXIKQCTZHRWBY-ROUUACIJSA-N 2 0 347.503 2.376 10 0 EEAERP OCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453207064 1185242797 /nfs/dbraw/zinc/24/27/97/1185242797.db2.gz HNQDLGLPZUXYKT-XUVXKRRUSA-N 2 0 332.488 2.418 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001270757550 1185371838 /nfs/dbraw/zinc/37/18/38/1185371838.db2.gz PNVOPRBNJDNRJU-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691517414 1185621380 /nfs/dbraw/zinc/62/13/80/1185621380.db2.gz NKCMWYJVQJPBII-XSLAGTTESA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001271087037 1185869684 /nfs/dbraw/zinc/86/96/84/1185869684.db2.gz VCJKKWAEKDRYEC-IAGOWNOFSA-N 2 0 337.508 2.080 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1 ZINC001482464400 1185949221 /nfs/dbraw/zinc/94/92/21/1185949221.db2.gz YJBPSXPMCVISGU-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC001271424485 1186209669 /nfs/dbraw/zinc/20/96/69/1186209669.db2.gz DVZBZZPFLJGWQV-IEBWSBKVSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C[NH2+]CCF ZINC001271758855 1186464035 /nfs/dbraw/zinc/46/40/35/1186464035.db2.gz IAUKDNLLUYGMAZ-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC[C@@H](C)F ZINC001482542004 1186616245 /nfs/dbraw/zinc/61/62/45/1186616245.db2.gz LCOKFWVQMGIBGK-PBHICJAKSA-N 2 0 347.438 2.359 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482699975 1187678260 /nfs/dbraw/zinc/67/82/60/1187678260.db2.gz XVAMSTZTLGSPFN-RTBURBONSA-N 2 0 331.504 2.444 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001482844701 1187764024 /nfs/dbraw/zinc/76/40/24/1187764024.db2.gz ARRFKAAELMPVFS-QFBILLFUSA-N 2 0 347.503 2.302 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(CC)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001482966790 1187903921 /nfs/dbraw/zinc/90/39/21/1187903921.db2.gz ILBULVXTRDKZQO-IBGZPJMESA-N 2 0 331.504 2.181 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482967741 1187905385 /nfs/dbraw/zinc/90/53/85/1187905385.db2.gz XVKVDXGMWCYPOI-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001483010433 1187992954 /nfs/dbraw/zinc/99/29/54/1187992954.db2.gz LASPUQDAONACOL-AATRIKPKSA-N 2 0 344.503 2.417 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001691555611 1188258086 /nfs/dbraw/zinc/25/80/86/1188258086.db2.gz HRWWOMVCMLVBBD-MSOLQXFVSA-N 2 0 347.503 2.364 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691556296 1188261240 /nfs/dbraw/zinc/26/12/40/1188261240.db2.gz SYLHWOQABJVSTK-SJLPKXTDSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483128728 1188607370 /nfs/dbraw/zinc/60/73/70/1188607370.db2.gz JQBGCZLDQWOQAO-RDTXWAMCSA-N 2 0 333.451 2.092 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483138340 1188689450 /nfs/dbraw/zinc/68/94/50/1188689450.db2.gz ZFFWROYVDIILKC-DNVCBOLYSA-N 2 0 345.487 2.186 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001272863738 1193582513 /nfs/dbraw/zinc/58/25/13/1193582513.db2.gz APIVBRCGDXPHOE-ZYHUDNBSSA-N 2 0 332.901 2.121 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866535 1193583642 /nfs/dbraw/zinc/58/36/42/1193583642.db2.gz ZDKGUPAVKLTINW-QFBILLFUSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001485945428 1193654710 /nfs/dbraw/zinc/65/47/10/1193654710.db2.gz OHYVGYKEXIPPHZ-IAGOWNOFSA-N 2 0 346.519 2.031 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CC[C@H](C)C2)cc1C ZINC001409615278 1190102053 /nfs/dbraw/zinc/10/20/53/1190102053.db2.gz INLHXAGYBVKBEM-DOTOQJQBSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1cc(-c2ccccc2)no1 ZINC001409633195 1190133863 /nfs/dbraw/zinc/13/38/63/1190133863.db2.gz SLASDGBNRMFBGL-OAHLLOKOSA-N 2 0 344.459 2.230 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001409761731 1190251256 /nfs/dbraw/zinc/25/12/56/1190251256.db2.gz KLODPSMPAKOKIS-HOTGVXAUSA-N 2 0 345.478 2.446 10 0 EEAERP C[C@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483318419 1190345761 /nfs/dbraw/zinc/34/57/61/1190345761.db2.gz CCWGGESIUDFYIG-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccn1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483347558 1190382978 /nfs/dbraw/zinc/38/29/78/1190382978.db2.gz LKKRKTLRCKAVIO-LPHOPBHVSA-N 2 0 344.503 2.425 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)CCC[NH+](C)C ZINC001486084619 1193676981 /nfs/dbraw/zinc/67/69/81/1193676981.db2.gz KXOLSFYBMAYZCB-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2csc(Cl)n2)CC[N@@H+]1C ZINC001483466389 1190490135 /nfs/dbraw/zinc/49/01/35/1190490135.db2.gz IZPVZPPXDNAOOA-DGCLKSJQSA-N 2 0 344.912 2.075 10 0 EEAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483486972 1190506316 /nfs/dbraw/zinc/50/63/16/1190506316.db2.gz QMAAUPWAZBJKFY-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](NCCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1csnn1 ZINC001483492754 1190509945 /nfs/dbraw/zinc/50/99/45/1190509945.db2.gz JLRVQRXLENXODM-CYBMUJFWSA-N 2 0 341.525 2.015 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001483571098 1190559900 /nfs/dbraw/zinc/55/99/00/1190559900.db2.gz OYZXIGOBJFANHC-DUIXZTDISA-N 2 0 327.900 2.344 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)CC[NH+](C)C ZINC001486123820 1193688406 /nfs/dbraw/zinc/68/84/06/1193688406.db2.gz IBJMQWWMXHHNLK-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CO[C@@H](C)C[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001409785162 1190619869 /nfs/dbraw/zinc/61/98/69/1190619869.db2.gz QIIMNIPTXMTZCW-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1ocnc1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001409819009 1190649383 /nfs/dbraw/zinc/64/93/83/1190649383.db2.gz RNNVMDHXWYHZJY-IRXDYDNUSA-N 2 0 348.491 2.089 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1CC/C=C/c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483694287 1190769536 /nfs/dbraw/zinc/76/95/36/1190769536.db2.gz LFGKICYXTALOMU-RRGNZLCHSA-N 2 0 339.483 2.376 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001272543233 1190872836 /nfs/dbraw/zinc/87/28/36/1190872836.db2.gz CSUZVUCFJLUIMZ-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917861 1191116353 /nfs/dbraw/zinc/11/63/53/1191116353.db2.gz YYXVXLDCLIKTII-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001483959410 1191128123 /nfs/dbraw/zinc/12/81/23/1191128123.db2.gz SYYFKAWFPRIEJC-LPHOPBHVSA-N 2 0 347.503 2.103 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001483973725 1191137457 /nfs/dbraw/zinc/13/74/57/1191137457.db2.gz FOGFUNCMQJXCBJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCCCCF)C1 ZINC001484173554 1191252235 /nfs/dbraw/zinc/25/22/35/1191252235.db2.gz DJSSCBREWIEBLR-GOSISDBHSA-N 2 0 327.488 2.440 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC=C(C)C)CCC1(F)F ZINC001484195691 1191268304 /nfs/dbraw/zinc/26/83/04/1191268304.db2.gz JWTXSGHPHUMJFP-OAHLLOKOSA-N 2 0 331.451 2.368 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001484199614 1191270302 /nfs/dbraw/zinc/27/03/02/1191270302.db2.gz ZARQFHHEEJOCNX-LSDHHAIUSA-N 2 0 333.467 2.448 10 0 EEAERP C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348546 1191313446 /nfs/dbraw/zinc/31/34/46/1191313446.db2.gz PQLBRSVGQHJLDM-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484351981 1191314430 /nfs/dbraw/zinc/31/44/30/1191314430.db2.gz HLFKJMZDTFPIRS-HOTGVXAUSA-N 2 0 347.528 2.213 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccccc1 ZINC001484463341 1191367727 /nfs/dbraw/zinc/36/77/27/1191367727.db2.gz IVANKHPQSXUEFQ-RTBURBONSA-N 2 0 329.488 2.246 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCOCC(C)C ZINC001484466767 1191370799 /nfs/dbraw/zinc/37/07/99/1191370799.db2.gz WCJNYTPMHTVMFQ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001484527381 1191396032 /nfs/dbraw/zinc/39/60/32/1191396032.db2.gz MUYJZOKXFDBWKY-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001484537035 1191403980 /nfs/dbraw/zinc/40/39/80/1191403980.db2.gz YNMFECNXQGIYOD-PRHUZLPSSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001484563490 1191418350 /nfs/dbraw/zinc/41/83/50/1191418350.db2.gz OXJVRHHGWOLSPK-FUHWJXTLSA-N 2 0 345.487 2.086 10 0 EEAERP CCCCOCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cnc3C)C2)CC1 ZINC001484581078 1191425908 /nfs/dbraw/zinc/42/59/08/1191425908.db2.gz CVXMCWLLBGINDC-UHFFFAOYSA-N 2 0 348.491 2.002 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC2)c(C)n1 ZINC001484653348 1191457358 /nfs/dbraw/zinc/45/73/58/1191457358.db2.gz PBFAGGFZGYXKPW-OAHLLOKOSA-N 2 0 344.503 2.169 10 0 EEAERP CN(CCC[N@H+](C)CCC(F)(F)F)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484742567 1191494890 /nfs/dbraw/zinc/49/48/90/1191494890.db2.gz GOVACAQFWBFLLN-CQSZACIVSA-N 2 0 335.414 2.061 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001484745466 1191496721 /nfs/dbraw/zinc/49/67/21/1191496721.db2.gz HBEUCRPXWUIYPE-GOSISDBHSA-N 2 0 332.492 2.236 10 0 EEAERP CCC1([NH2+]Cc2ccns2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001484820303 1191539784 /nfs/dbraw/zinc/53/97/84/1191539784.db2.gz NLBSTDWIKSDPGL-UHFFFAOYSA-N 2 0 338.521 2.344 10 0 EEAERP CCCCCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484903779 1191569429 /nfs/dbraw/zinc/56/94/29/1191569429.db2.gz NCJJDTDQDDOVTG-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001484909665 1191571107 /nfs/dbraw/zinc/57/11/07/1191571107.db2.gz ONQGFSDUVLNPMK-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCc2ccccc2)CC1 ZINC001484913506 1191572142 /nfs/dbraw/zinc/57/21/42/1191572142.db2.gz QAWQTGCLWBWDCC-SFHVURJKSA-N 2 0 329.488 2.294 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485054715 1191633665 /nfs/dbraw/zinc/63/36/65/1191633665.db2.gz FUSZLGXAUMYWKW-MSOLQXFVSA-N 2 0 339.524 2.207 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001485185482 1191680728 /nfs/dbraw/zinc/68/07/28/1191680728.db2.gz FRHMVIKMWAJDEK-CABCVRRESA-N 2 0 330.476 2.493 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001485207319 1191693677 /nfs/dbraw/zinc/69/36/77/1191693677.db2.gz UKHQJODANUAUQO-KBPBESRZSA-N 2 0 336.480 2.006 10 0 EEAERP CCc1nocc1CN(C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485301269 1191726349 /nfs/dbraw/zinc/72/63/49/1191726349.db2.gz VDZMHAQWWVDYLC-WMLDXEAASA-N 2 0 336.480 2.046 10 0 EEAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)CC1 ZINC001485454534 1191791410 /nfs/dbraw/zinc/79/14/10/1191791410.db2.gz CPDBNEUUJZGBAG-UHFFFAOYSA-N 2 0 344.503 2.332 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486418093 1193948062 /nfs/dbraw/zinc/94/80/62/1193948062.db2.gz SBTKOPKIBDTRFI-JKSUJKDBSA-N 2 0 327.513 2.018 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)CC1CC[NH+](C)CC1 ZINC001691666249 1194305491 /nfs/dbraw/zinc/30/54/91/1194305491.db2.gz UMFHNYJKYJCFEG-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)[NH+](C)C ZINC001410165792 1197577306 /nfs/dbraw/zinc/57/73/06/1197577306.db2.gz YBLPSJJQESYSNS-ZJPYXAASSA-N 2 0 333.520 2.201 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3nocc3C)C[C@H]2C1 ZINC001410183732 1197590377 /nfs/dbraw/zinc/59/03/77/1197590377.db2.gz MAGLQKJLUSHMHH-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1)C1CCC1 ZINC001410196665 1197598553 /nfs/dbraw/zinc/59/85/53/1197598553.db2.gz MLBDLLRUEATRTO-XCTPRIKFSA-N 2 0 339.911 2.440 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208063 1198086456 /nfs/dbraw/zinc/08/64/56/1198086456.db2.gz BPQPTZRLBPMESC-MOPGFXCFSA-N 2 0 334.504 2.400 10 0 EEAERP CC(C)(O)C[C@@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223011 1198096003 /nfs/dbraw/zinc/09/60/03/1198096003.db2.gz LMWMPCQAIOEZSF-LJQANCHMSA-N 2 0 334.504 2.400 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865413948 1198205201 /nfs/dbraw/zinc/20/52/01/1198205201.db2.gz DMGIGOCFRUPUJY-OAHLLOKOSA-N 2 0 330.451 2.490 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ncnc3cc(Cl)ccc32)C[C@H]1C[NH+](C)C ZINC000866012794 1198454451 /nfs/dbraw/zinc/45/44/51/1198454451.db2.gz QMKFGUMEPORQDC-ZIAGYGMSSA-N 2 0 347.894 2.459 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCC(F)(F)F)CC2 ZINC001410914047 1198568730 /nfs/dbraw/zinc/56/87/30/1198568730.db2.gz QTBDDXLKLVJIPR-UKRRQHHQSA-N 2 0 335.414 2.394 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001411235603 1198946890 /nfs/dbraw/zinc/94/68/90/1198946890.db2.gz HWWMLFAGCXQDKO-CLRIEMFWSA-N 2 0 335.414 2.248 10 0 EEAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000810177379 1199331619 /nfs/dbraw/zinc/33/16/19/1199331619.db2.gz QHDACLKMBYEOTG-CRAIPNDOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC[N@@H+]1C ZINC000869814658 1200298595 /nfs/dbraw/zinc/29/85/95/1200298595.db2.gz MXAAJGFVODPRRC-WMZOPIPTSA-N 2 0 327.472 2.061 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)C[C@H]1C[NH+](C)C ZINC000870017121 1200409395 /nfs/dbraw/zinc/40/93/95/1200409395.db2.gz GJMQYMFBBWMCOU-CSODTCANSA-N 2 0 335.536 2.401 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[N@@H+]1C ZINC000870893264 1200937038 /nfs/dbraw/zinc/93/70/38/1200937038.db2.gz LLRMMRXGGOIKRG-LERXQTSPSA-N 2 0 340.265 2.048 10 0 EEAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813113212 1201123264 /nfs/dbraw/zinc/12/32/64/1201123264.db2.gz CCKLUTGPTYHEHI-KBXCAEBGSA-N 2 0 327.488 2.388 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)ccn1 ZINC000866309705 1201490307 /nfs/dbraw/zinc/49/03/07/1201490307.db2.gz ANYRIHQRIZQVIJ-PKOBYXMFSA-N 2 0 333.476 2.459 10 0 EEAERP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886516429 1202517346 /nfs/dbraw/zinc/51/73/46/1202517346.db2.gz HNIJJLSKPRVJJQ-BVBHFADKSA-N 2 0 325.460 2.309 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274460367 1205046097 /nfs/dbraw/zinc/04/60/97/1205046097.db2.gz RRIALNQSUGCKIW-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/CN[C@H](C)c1nc2ccccc2o1 ZINC001274610705 1205097194 /nfs/dbraw/zinc/09/71/94/1205097194.db2.gz PVKNURBFWIKQRD-MVGZEHJDSA-N 2 0 344.459 2.491 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCCCOC)CC[N@@H+]1C ZINC001275108336 1205258341 /nfs/dbraw/zinc/25/83/41/1205258341.db2.gz LBDJOEKOODZKCA-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C/c2ccccc2)C1 ZINC001275273957 1205296328 /nfs/dbraw/zinc/29/63/28/1205296328.db2.gz BRQHYPMBIHHZGY-YABCWBQTSA-N 2 0 327.472 2.278 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001275542697 1205402935 /nfs/dbraw/zinc/40/29/35/1205402935.db2.gz VUQAELWADBCJMC-IAGOWNOFSA-N 2 0 329.488 2.198 10 0 EEAERP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924628902 1206006854 /nfs/dbraw/zinc/00/68/54/1206006854.db2.gz XPWPAPLOTNPBMQ-IEBWSBKVSA-N 2 0 334.508 2.253 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925505854 1206120726 /nfs/dbraw/zinc/12/07/26/1206120726.db2.gz UEAGLOKDOCNOTB-ZJPYXAASSA-N 2 0 334.460 2.103 10 0 EEAERP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925573833 1206130352 /nfs/dbraw/zinc/13/03/52/1206130352.db2.gz REDDHZZFDZVOPR-IAGOWNOFSA-N 2 0 332.444 2.031 10 0 EEAERP COc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)[NH+](C)C)cc1OC ZINC000925623797 1206137070 /nfs/dbraw/zinc/13/70/70/1206137070.db2.gz XBAQQYAUVHKEFR-BMGDILEWSA-N 2 0 333.476 2.166 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C1 ZINC000925728810 1206146774 /nfs/dbraw/zinc/14/67/74/1206146774.db2.gz WUPOLIFUVHKHAF-IAGOWNOFSA-N 2 0 330.476 2.207 10 0 EEAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925843416 1206159206 /nfs/dbraw/zinc/15/92/06/1206159206.db2.gz NHZJSHCHDMCTKM-MJUUVYJYSA-N 2 0 343.515 2.398 10 0 EEAERP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851526 1206160856 /nfs/dbraw/zinc/16/08/56/1206160856.db2.gz FYFDXFGXPUVEIG-QWHCGFSZSA-N 2 0 335.473 2.104 10 0 EEAERP CC(C)C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853766 1206161445 /nfs/dbraw/zinc/16/14/45/1206161445.db2.gz REOONAWFVAVAII-WBVHZDCISA-N 2 0 331.460 2.444 10 0 EEAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(OC)c1 ZINC000925876980 1206163158 /nfs/dbraw/zinc/16/31/58/1206163158.db2.gz KYRVHQSCZFGEKZ-MCIONIFRSA-N 2 0 335.448 2.138 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC000900417557 1234335831 /nfs/dbraw/zinc/33/58/31/1234335831.db2.gz INTINNVRIXSTRB-AEFFLSMTSA-N 2 0 333.476 2.495 10 0 EEAERP C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000903217810 1240032134 /nfs/dbraw/zinc/03/21/34/1240032134.db2.gz DRBUPWYKOBQVHJ-JKSUJKDBSA-N 2 0 333.476 2.146 10 0 EEAERP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496607 1240672208 /nfs/dbraw/zinc/67/22/08/1240672208.db2.gz VPHBWSUYDJFLRG-QKPAOTATSA-N 2 0 333.476 2.178 10 0 EEAERP c1ccc2c(c1)COC21CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903731528 1241756276 /nfs/dbraw/zinc/75/62/76/1241756276.db2.gz ABLOTQMAJHDWTN-MJGOQNOKSA-N 2 0 328.456 2.277 10 0 EEAERP c1ccc(COC[C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903734917 1241768042 /nfs/dbraw/zinc/76/80/42/1241768042.db2.gz XKSDDNFMTUQLEW-AQNXPRMDSA-N 2 0 330.472 2.294 10 0 EEAERP c1ccc(C2([NH+]3CCCC3)CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000903824217 1242090144 /nfs/dbraw/zinc/09/01/44/1242090144.db2.gz NJWYBYNKHUBHGK-LJQANCHMSA-N 2 0 329.488 2.062 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOc2cccc(C)c2)cnn1C ZINC000903875824 1242276507 /nfs/dbraw/zinc/27/65/07/1242276507.db2.gz COJSRYDIVIFRRW-QGZVFWFLSA-N 2 0 330.476 2.165 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903918256 1242480826 /nfs/dbraw/zinc/48/08/26/1242480826.db2.gz VTVSFZVDAVGRBB-PKOBYXMFSA-N 2 0 342.491 2.116 10 0 EEAERP OC[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000903939883 1242601109 /nfs/dbraw/zinc/60/11/09/1242601109.db2.gz PQOPNBRKUULBHH-SJXGUFTOSA-N 2 0 339.277 2.460 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491050851 1258613946 /nfs/dbraw/zinc/61/39/46/1258613946.db2.gz OLSZDAOTNGVYCG-GASCZTMLSA-N 2 0 339.867 2.037 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491270461 1258862382 /nfs/dbraw/zinc/86/23/82/1258862382.db2.gz CCUQNFXHHXIHLN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001491369732 1259003990 /nfs/dbraw/zinc/00/39/90/1259003990.db2.gz GJEGSQAABLRXAK-DAWZGUTISA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc2cccnc21 ZINC001491457699 1259102101 /nfs/dbraw/zinc/10/21/01/1259102101.db2.gz ULGCKVYSAOEUPE-HDMKZQKVSA-N 2 0 340.471 2.169 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476124 1278575029 /nfs/dbraw/zinc/57/50/29/1278575029.db2.gz BNHLJOXVCIQLMN-QGZVFWFLSA-N 2 0 344.459 2.264 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCO[C@@H](C)C1)C(=O)CC[NH+]1CCCCC1 ZINC001273764977 1285107725 /nfs/dbraw/zinc/10/77/25/1285107725.db2.gz LAVTYBXAXZBOKS-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP COC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001493118905 1285998674 /nfs/dbraw/zinc/99/86/74/1285998674.db2.gz IFNRVCFADWOLJJ-WBVHZDCISA-N 2 0 339.524 2.255 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001489239809 1290489405 /nfs/dbraw/zinc/48/94/05/1290489405.db2.gz WUPBDXVIOKCUTH-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001489240209 1290490694 /nfs/dbraw/zinc/49/06/94/1290490694.db2.gz LJFVHYVFJMAKEP-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001489341258 1290528026 /nfs/dbraw/zinc/52/80/26/1290528026.db2.gz CQYQNQKNVGFWSI-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1noc(C)c1C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001490384583 1291269115 /nfs/dbraw/zinc/26/91/15/1291269115.db2.gz ZQOWONRHCZYICE-SFHVURJKSA-N 2 0 348.491 2.246 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC001490618141 1291528356 /nfs/dbraw/zinc/52/83/56/1291528356.db2.gz CXLPOSNABBQJQD-FUHWJXTLSA-N 2 0 339.524 2.209 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC ZINC000851813518 1291855067 /nfs/dbraw/zinc/85/50/67/1291855067.db2.gz UUZZKRIXQILVTF-LNLFQRSKSA-N 2 0 340.508 2.277 10 0 EEAERP Cc1cc2nc(Cl)cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n2n1 ZINC000853774842 1292447339 /nfs/dbraw/zinc/44/73/39/1292447339.db2.gz WREVXYONZZRFFW-ZDUSSCGKSA-N 2 0 338.887 2.375 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)CC[NH2+]CC1 ZINC000854229319 1292679577 /nfs/dbraw/zinc/67/95/77/1292679577.db2.gz LEMPKMNKDOCBTJ-JQFCIGGWSA-N 2 0 332.444 2.076 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3OCCCO3)C2)ccn1 ZINC000856588886 1293574790 /nfs/dbraw/zinc/57/47/90/1293574790.db2.gz CKWUADVAXBFLBB-GOSISDBHSA-N 2 0 349.475 2.140 10 0 EEAERP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C=CCC1 ZINC000931254671 1297126039 /nfs/dbraw/zinc/12/60/39/1297126039.db2.gz NTQMYYWPHQYRTD-LJQANCHMSA-N 2 0 328.460 2.066 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277147259 1301510507 /nfs/dbraw/zinc/51/05/07/1301510507.db2.gz BIULORSIGTVFFX-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cnc(C)o2)CC[N@@H+]1C ZINC001277193332 1301749245 /nfs/dbraw/zinc/74/92/45/1301749245.db2.gz DQHHQVFDNAEJHG-RRQGHBQHSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)oc1C ZINC001277208842 1301826850 /nfs/dbraw/zinc/82/68/50/1301826850.db2.gz AKYBUVFIDFEDNP-ZDUSSCGKSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccccc1N(C)C ZINC001491549281 1302069321 /nfs/dbraw/zinc/06/93/21/1302069321.db2.gz STGQUKOELJRPOM-MRXNPFEDSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001277757923 1304353092 /nfs/dbraw/zinc/35/30/92/1304353092.db2.gz YNPZNWFCKAJUHD-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001277763574 1304364437 /nfs/dbraw/zinc/36/44/37/1304364437.db2.gz MZIHWCHHSJLIDU-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)n1 ZINC001277980029 1305533223 /nfs/dbraw/zinc/53/32/23/1305533223.db2.gz CVETWKMLYKBNJE-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCCC[NH3+] ZINC000843342121 1315894471 /nfs/dbraw/zinc/89/44/71/1315894471.db2.gz NJOYOPJGUBRRGH-LBPRGKRZSA-N 2 0 330.270 2.108 10 0 EEAERP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278518824 1317122050 /nfs/dbraw/zinc/12/20/50/1317122050.db2.gz JTCIVQCTHVIDNW-KZJSRBBCSA-N 2 0 325.884 2.196 10 0 EEAERP CC1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCCF ZINC001278689620 1317743131 /nfs/dbraw/zinc/74/31/31/1317743131.db2.gz FOWYBKFGEWFXIU-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001278705637 1317804249 /nfs/dbraw/zinc/80/42/49/1317804249.db2.gz XSIWWVHXZFIJPL-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001263816582 1322524959 /nfs/dbraw/zinc/52/49/59/1322524959.db2.gz FCSKDZPJPXTMDD-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001263861880 1322540910 /nfs/dbraw/zinc/54/09/10/1322540910.db2.gz QYDFLGXHFLAOOI-WDSOQIARSA-N 2 0 333.520 2.393 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001264742699 1322799635 /nfs/dbraw/zinc/79/96/35/1322799635.db2.gz CUNQFOUTLKKHTE-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)CC1CCC1 ZINC001265011326 1322857595 /nfs/dbraw/zinc/85/75/95/1322857595.db2.gz KDCSMLLDJCTMEL-UHFFFAOYSA-N 2 0 327.432 2.119 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CCOCC)CC2)C1 ZINC001265196082 1322979752 /nfs/dbraw/zinc/97/97/52/1322979752.db2.gz XIEBMWMYOOPDMC-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001265453916 1323163872 /nfs/dbraw/zinc/16/38/72/1323163872.db2.gz ADSMAGKIPWELQH-UXHICEINSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001265621245 1323273177 /nfs/dbraw/zinc/27/31/77/1323273177.db2.gz FXAYNPUQDRPEOS-UHKIINPBSA-N 2 0 327.900 2.297 10 0 EEAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265623859 1323275842 /nfs/dbraw/zinc/27/58/42/1323275842.db2.gz FZIANHFVCDMTET-YJBOKZPZSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCCOC ZINC001265697378 1323331148 /nfs/dbraw/zinc/33/11/48/1323331148.db2.gz RUTPANQOZNAJRR-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702656 1323337244 /nfs/dbraw/zinc/33/72/44/1323337244.db2.gz GKGKQYCDOAKOOI-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP 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1335854539 /nfs/dbraw/zinc/85/45/39/1335854539.db2.gz CJMZIGNBQNNOTN-GOSISDBHSA-N 2 0 349.519 2.207 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001480324722 1338000577 /nfs/dbraw/zinc/00/05/77/1338000577.db2.gz QOQVQPPKMXQCCZ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C/c1cccnc1 ZINC000847418956 1338047730 /nfs/dbraw/zinc/04/77/30/1338047730.db2.gz MMAHICPICKYADB-FLXZHSAZSA-N 2 0 344.503 2.359 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(Cl)c(F)c1 ZINC000847487695 1338099661 /nfs/dbraw/zinc/09/96/61/1338099661.db2.gz HZNRZAYRNOZOCG-UHFFFAOYSA-N 2 0 344.862 2.220 10 0 EEAERP C[C@H]1CN(C(=[NH2+])NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000849095170 1338839276 /nfs/dbraw/zinc/83/92/76/1338839276.db2.gz LUUGMJXACIPXAC-MAUKXSAKSA-N 2 0 330.476 2.142 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCCCF)CC1 ZINC001666195585 1355481984 /nfs/dbraw/zinc/48/19/84/1355481984.db2.gz VZDPETPWUZFQCK-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001434669500 1341904454 /nfs/dbraw/zinc/90/44/54/1341904454.db2.gz FQXNFCFLYVGPHC-NJAFHUGGSA-N 2 0 346.523 2.134 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001500381578 1342184259 /nfs/dbraw/zinc/18/42/59/1342184259.db2.gz ARYFJEFUSUXCFX-MAUKXSAKSA-N 2 0 327.488 2.295 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001506569559 1342252805 /nfs/dbraw/zinc/25/28/05/1342252805.db2.gz BIALFUDSIJVVCG-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001566768710 1342627343 /nfs/dbraw/zinc/62/73/43/1342627343.db2.gz JVDIMKCGONGGSY-QGZUEGPWSA-N 2 0 339.443 2.428 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567066667 1342689824 /nfs/dbraw/zinc/68/98/24/1342689824.db2.gz ZLNKCUULZLAUCB-GOSISDBHSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001567180553 1342705985 /nfs/dbraw/zinc/70/59/85/1342705985.db2.gz FPLHSNGGAKIZME-QAPCUYQASA-N 2 0 335.467 2.277 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2)C1 ZINC001569682454 1342923585 /nfs/dbraw/zinc/92/35/85/1342923585.db2.gz XZCXHUGIURNZSJ-HXUWFJFHSA-N 2 0 331.504 2.399 10 0 EEAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001569836978 1342955644 /nfs/dbraw/zinc/95/56/44/1342955644.db2.gz JDAJLKSEMFJBCM-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570544393 1343080690 /nfs/dbraw/zinc/08/06/90/1343080690.db2.gz UTXQDFLZYYGOJV-INIZCTEOSA-N 2 0 325.472 2.145 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001570630806 1343095060 /nfs/dbraw/zinc/09/50/60/1343095060.db2.gz LWIOZQQOQUECAZ-STQMWFEESA-N 2 0 338.883 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2cccc(C)c2)C[C@@H]1C ZINC001571491213 1343219187 /nfs/dbraw/zinc/21/91/87/1343219187.db2.gz OEBFBPUQOTXKMO-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP COCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571539813 1343232148 /nfs/dbraw/zinc/23/21/48/1343232148.db2.gz GSRQSYQBGRDXFH-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001676455980 1357152417 /nfs/dbraw/zinc/15/24/17/1357152417.db2.gz YFXYPLBRDFIQQH-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP CCCCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676768009 1357196671 /nfs/dbraw/zinc/19/66/71/1357196671.db2.gz RRTIEOJACHDUFR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001677586720 1357364029 /nfs/dbraw/zinc/36/40/29/1357364029.db2.gz LUOKDWZSWROYRD-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001677621352 1357375586 /nfs/dbraw/zinc/37/55/86/1357375586.db2.gz PHRYINGYHIJXDW-HNNXBMFYSA-N 2 0 341.446 2.122 10 0 EEAERP CCCCCC[C@](O)(C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)OC ZINC001644682487 1352765968 /nfs/dbraw/zinc/76/59/68/1352765968.db2.gz RRHIJOIODRSBEQ-AEFFLSMTSA-N 2 0 328.497 2.135 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC001656150395 1354208226 /nfs/dbraw/zinc/20/82/26/1354208226.db2.gz IGVUMZKQHZNMFA-ZIFCJYIRSA-N 2 0 345.487 2.034 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001656982117 1354306611 /nfs/dbraw/zinc/30/66/11/1354306611.db2.gz BMVHPLHEINSECQ-SJORKVTESA-N 2 0 339.524 2.255 10 0 EEAERP COCCCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001660784130 1354537506 /nfs/dbraw/zinc/53/75/06/1354537506.db2.gz MCJVUBOYHINBLX-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001662261770 1354771251 /nfs/dbraw/zinc/77/12/51/1354771251.db2.gz GDPUTXXZVDQBFF-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001662351482 1354785030 /nfs/dbraw/zinc/78/50/30/1354785030.db2.gz WJSUWJJFSCUAEH-PKOBYXMFSA-N 2 0 347.503 2.423 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001662779504 1354845104 /nfs/dbraw/zinc/84/51/04/1354845104.db2.gz NNFFOLFBZCLIMX-LSDHHAIUSA-N 2 0 338.883 2.204 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664370084 1355148392 /nfs/dbraw/zinc/14/83/92/1355148392.db2.gz WURRETONGUVBDR-CYBMUJFWSA-N 2 0 344.286 2.493 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C[C@@H]1CCCOC1 ZINC001664514091 1355182636 /nfs/dbraw/zinc/18/26/36/1355182636.db2.gz XZXBVSFXDIVBEI-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2C[NH+](CCCCC(F)(F)F)C2)CC1 ZINC001665324114 1355293529 /nfs/dbraw/zinc/29/35/29/1355293529.db2.gz FYJUNAYHIJJTOC-UHFFFAOYSA-N 2 0 335.414 2.109 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCCCOC)C2)CC[N@@H+]1C ZINC001665630561 1355338861 /nfs/dbraw/zinc/33/88/61/1355338861.db2.gz BTBZKBWJOOXABA-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cncn1CC(=O)NC1(C[NH2+]CCc2ccccc2)CCCC1 ZINC001665938128 1355412406 /nfs/dbraw/zinc/41/24/06/1355412406.db2.gz MDEIWMNQTLUQOT-UHFFFAOYSA-N 2 0 340.471 2.453 10 0 EEAERP CCOCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001666063033 1355437204 /nfs/dbraw/zinc/43/72/04/1355437204.db2.gz OEEZOMYTAHIOOZ-VQIMIIECSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001666134908 1355462345 /nfs/dbraw/zinc/46/23/45/1355462345.db2.gz IJYSSXTZNQNMAT-MAUKXSAKSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001666172369 1355475245 /nfs/dbraw/zinc/47/52/45/1355475245.db2.gz GGPZUYPZCXFTJQ-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001666240246 1355492741 /nfs/dbraw/zinc/49/27/41/1355492741.db2.gz KTTPNSUIGMBDOH-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001667033119 1355636396 /nfs/dbraw/zinc/63/63/96/1355636396.db2.gz IIFIGEHVPDLGLM-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001667306971 1355705140 /nfs/dbraw/zinc/70/51/40/1355705140.db2.gz NGOBDNDDKMTDLJ-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668826551 1356014394 /nfs/dbraw/zinc/01/43/94/1356014394.db2.gz APKBUXWNGNCLCM-WAYWQWQTSA-N 2 0 334.464 2.010 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001669002284 1356065563 /nfs/dbraw/zinc/06/55/63/1356065563.db2.gz WZYAFPHCADYFPY-VQTKUKTRSA-N 2 0 329.435 2.026 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001669294143 1356141565 /nfs/dbraw/zinc/14/15/65/1356141565.db2.gz XXQYIFCLSRJOLE-GPMSIDNRSA-N 2 0 347.503 2.062 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001669974130 1356254084 /nfs/dbraw/zinc/25/40/84/1356254084.db2.gz QXKPJINPPVHAKK-ROUUACIJSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001671379021 1356333355 /nfs/dbraw/zinc/33/33/55/1356333355.db2.gz LNJHVNCQWXXYQM-PMACEKPBSA-N 2 0 343.515 2.460 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001671530382 1356357463 /nfs/dbraw/zinc/35/74/63/1356357463.db2.gz LUNRTQBUNUOCLE-UCYIYVBKSA-N 2 0 339.911 2.345 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001671957426 1356443244 /nfs/dbraw/zinc/44/32/44/1356443244.db2.gz CKNGLWMQKRNZRW-UHFFFAOYSA-N 2 0 337.508 2.084 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001672911555 1356613433 /nfs/dbraw/zinc/61/34/33/1356613433.db2.gz WHGREKFGVHQJOM-ZLNADXECSA-N 2 0 341.499 2.480 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001673299807 1356663324 /nfs/dbraw/zinc/66/33/24/1356663324.db2.gz WBIUEQSKPQYPCD-OALUTQOASA-N 2 0 349.519 2.178 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001673396768 1356684781 /nfs/dbraw/zinc/68/47/81/1356684781.db2.gz KKWHQVYGNNKFBJ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001673407127 1356687732 /nfs/dbraw/zinc/68/77/32/1356687732.db2.gz OAYDPXPFUFVCKQ-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001673747560 1356741831 /nfs/dbraw/zinc/74/18/31/1356741831.db2.gz ZCGIOISVRKFVJG-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001674019495 1356775134 /nfs/dbraw/zinc/77/51/34/1356775134.db2.gz YQCLNBJKNXDSRY-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001675253078 1356951646 /nfs/dbraw/zinc/95/16/46/1356951646.db2.gz KQOFESWUOSEPPH-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699114561 1405269919 /nfs/dbraw/zinc/26/99/19/1405269919.db2.gz HZKFLHRQLCWUBD-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699545252 1405379823 /nfs/dbraw/zinc/37/98/23/1405379823.db2.gz KBNDZBBEKBAAAG-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)no1 ZINC001699554644 1405394161 /nfs/dbraw/zinc/39/41/61/1405394161.db2.gz VOUFGOVGHSWSJL-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1c(C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)ccc2c[nH+]cn21 ZINC001699841003 1405520559 /nfs/dbraw/zinc/52/05/59/1405520559.db2.gz CZYWJKYAEDGWNA-GOSISDBHSA-N 2 0 332.423 2.444 10 0 EEAERP Cc1cncn1CC(=O)Nc1ccccc1OCCn1ccnc1 ZINC001125288309 757087050 /nfs/dbraw/zinc/08/70/50/757087050.db2.gz KCJUPBGMAXWJEO-UHFFFAOYSA-N 2 0 325.372 2.106 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000818988458 785353784 /nfs/dbraw/zinc/35/37/84/785353784.db2.gz QFPPUFVQOUDQTO-HXUWFJFHSA-N 2 0 349.494 2.316 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819062811 785406768 /nfs/dbraw/zinc/40/67/68/785406768.db2.gz TYBVWNWXVWZNAJ-SFHVURJKSA-N 2 0 339.911 2.381 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819062096 785407549 /nfs/dbraw/zinc/40/75/49/785407549.db2.gz NDRZIEPWPNSJIT-SFHVURJKSA-N 2 0 341.446 2.006 10 0 EEAERP CC1(C)C[NH2+]C[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000711309664 788630653 /nfs/dbraw/zinc/63/06/53/788630653.db2.gz APMTWWIIDDWGAO-SFHVURJKSA-N 2 0 329.488 2.260 10 0 EEAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@@]2(C)C1 ZINC000913280937 788743353 /nfs/dbraw/zinc/74/33/53/788743353.db2.gz IPSHMKGPUFVMFC-OYRHEFFESA-N 2 0 341.499 2.235 10 0 EEAERP Cc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923314010 789353001 /nfs/dbraw/zinc/35/30/01/789353001.db2.gz PDZORZCCWJGWRW-UXHICEINSA-N 2 0 344.499 2.397 10 0 EEAERP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923399258 789498201 /nfs/dbraw/zinc/49/82/01/789498201.db2.gz CQSVLLFSJLTSNJ-VEEUSGEASA-N 2 0 339.277 2.478 10 0 EEAERP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923422781 789524605 /nfs/dbraw/zinc/52/46/05/789524605.db2.gz RYYHVVLUADKYNI-ISARSNTHSA-N 2 0 342.524 2.018 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccncc1Br)CC2 ZINC000923447246 789559065 /nfs/dbraw/zinc/55/90/65/789559065.db2.gz QXLRSAOCETUGSC-CYBMUJFWSA-N 2 0 340.265 2.174 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000923448676 789561919 /nfs/dbraw/zinc/56/19/19/789561919.db2.gz FZTQQGRUUKKYEK-MRXNPFEDSA-N 2 0 327.428 2.270 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000923511881 789699067 /nfs/dbraw/zinc/69/90/67/789699067.db2.gz YIMMSZLSHPGIMT-NEPXVJNWSA-N 2 0 344.503 2.146 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000914083114 794847933 /nfs/dbraw/zinc/84/79/33/794847933.db2.gz OTCNQONIBPZJKF-NJAFHUGGSA-N 2 0 330.476 2.215 10 0 EEAERP O[C@@]1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716672152 796406064 /nfs/dbraw/zinc/40/60/64/796406064.db2.gz IJGLQHKIBRXMRD-MUGJNUQGSA-N 2 0 330.472 2.171 10 0 EEAERP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000922158409 799215438 /nfs/dbraw/zinc/21/54/38/799215438.db2.gz IYKXWVWZORGGDW-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP CN1CCC([NH2+]C[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC000922790956 801895537 /nfs/dbraw/zinc/89/55/37/801895537.db2.gz LADKPVFRBSFHNX-RCDNUKIMSA-N 2 0 338.492 2.340 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000808454622 812645579 /nfs/dbraw/zinc/64/55/79/812645579.db2.gz RXRYHRJMNZNYTN-IEBWSBKVSA-N 2 0 336.395 2.160 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001566516609 1125689672 /nfs/dbraw/zinc/68/96/72/1125689672.db2.gz 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CC[C@H](C(=O)NC1CCC([NH2+]Cc2oc(C)nc2C)CC1)[NH+](C)C ZINC001437093051 1089050180 /nfs/dbraw/zinc/05/01/80/1089050180.db2.gz TVOLXVOQBFBXKC-UYSNPLJNSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001437142607 1089135675 /nfs/dbraw/zinc/13/56/75/1089135675.db2.gz DFPCHWCYJMEPPT-KSSFIOAISA-N 2 0 348.466 2.222 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001437264888 1089411093 /nfs/dbraw/zinc/41/10/93/1089411093.db2.gz XLNRVDBXKSFFAE-RDJZCZTQSA-N 2 0 333.476 2.020 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001437370194 1089609631 /nfs/dbraw/zinc/60/96/31/1089609631.db2.gz FKKRZIXDONSSBU-NJZAAPMLSA-N 2 0 338.521 2.085 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001437660853 1090189853 /nfs/dbraw/zinc/18/98/53/1090189853.db2.gz PKKQUCGDXRISOV-QZTJIDSGSA-N 2 0 335.467 2.447 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1Cl ZINC001437682532 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EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445566442 1091344290 /nfs/dbraw/zinc/34/42/90/1091344290.db2.gz OXJMWZVLAYDWIF-BLLLJJGKSA-N 2 0 325.403 2.043 10 0 EEAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001438838900 1091466901 /nfs/dbraw/zinc/46/69/01/1091466901.db2.gz IKWHCJFNLIZWHF-IBGZPJMESA-N 2 0 345.487 2.043 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC001439162342 1091806476 /nfs/dbraw/zinc/80/64/76/1091806476.db2.gz FJNALOIQHPOQHA-CYBMUJFWSA-N 2 0 346.500 2.421 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001439322627 1091997233 /nfs/dbraw/zinc/99/72/33/1091997233.db2.gz FQHPFLFRHYERNY-FUHWJXTLSA-N 2 0 332.492 2.199 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001446181486 1092253173 /nfs/dbraw/zinc/25/31/73/1092253173.db2.gz JFNYFMHMBFBITP-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 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HATVMBYXCWSNFP-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)CC1)[NH+](C)C ZINC001440398031 1093579482 /nfs/dbraw/zinc/57/94/82/1093579482.db2.gz WZSVBEUXKHRYKO-DLBZAZTESA-N 2 0 336.455 2.032 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001448600416 1093663297 /nfs/dbraw/zinc/66/32/97/1093663297.db2.gz DTIZIZLWQRDSRS-VQIMIIECSA-N 2 0 347.478 2.494 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001440465442 1093688398 /nfs/dbraw/zinc/68/83/98/1093688398.db2.gz NJJQZRYTNGLSBW-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(CF)cc1 ZINC001448649205 1093714047 /nfs/dbraw/zinc/71/40/47/1093714047.db2.gz KXCVWVGMSSLSRR-IIDMSEBBSA-N 2 0 335.467 2.433 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC001440495402 1093734503 /nfs/dbraw/zinc/73/45/03/1093734503.db2.gz IRTKOCPYDGAZTR-ILXRZTDVSA-N 2 0 331.451 2.343 10 0 EEAERP 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1094068243 /nfs/dbraw/zinc/06/82/43/1094068243.db2.gz GNQILIMKPUDUIZ-NEPJUHHUSA-N 2 0 326.510 2.085 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001440932484 1094185229 /nfs/dbraw/zinc/18/52/29/1094185229.db2.gz JSTHDGLHEMHSPI-APWZRJJASA-N 2 0 347.503 2.254 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001440932492 1094185371 /nfs/dbraw/zinc/18/53/71/1094185371.db2.gz JSTHDGLHEMHSPI-VQIMIIECSA-N 2 0 347.503 2.254 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]2CC[C@H](C)C2)ccc1C ZINC001440965854 1094223046 /nfs/dbraw/zinc/22/30/46/1094223046.db2.gz CRNRHSOSRKNIKF-RDJZCZTQSA-N 2 0 347.503 2.282 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cncs1)NC(=O)C12CC[NH+](CC1)C2 ZINC001441127657 1094453086 /nfs/dbraw/zinc/45/30/86/1094453086.db2.gz DUYDKLFSCYTKQL-AWEZNQCLSA-N 2 0 336.505 2.004 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001441202661 1094563894 /nfs/dbraw/zinc/56/38/94/1094563894.db2.gz XYSFPRQVCNYFDU-ATZDWAIDSA-N 2 0 329.488 2.320 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2scnc2C)CC1(C)C ZINC001441251864 1094646893 /nfs/dbraw/zinc/64/68/93/1094646893.db2.gz BKLXBWHPDQGVFB-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001441348603 1094861729 /nfs/dbraw/zinc/86/17/29/1094861729.db2.gz BEHQYHYYOYIWIC-LUKYLMHMSA-N 2 0 348.491 2.403 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001441363629 1094881550 /nfs/dbraw/zinc/88/15/50/1094881550.db2.gz DJVUTAVSJNYHMU-QAQDUYKDSA-N 2 0 348.491 2.152 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001441491665 1095170651 /nfs/dbraw/zinc/17/06/51/1095170651.db2.gz WBABRRIQHGBEQM-JHEGOVLNSA-N 2 0 340.270 2.222 10 0 EEAERP COCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001441553143 1095287678 /nfs/dbraw/zinc/28/76/78/1095287678.db2.gz JPYLKMBRINPTKD-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cccnc2)C1 ZINC001441566975 1095328291 /nfs/dbraw/zinc/32/82/91/1095328291.db2.gz LMLVYZPTMQOAAD-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441606880 1095462754 /nfs/dbraw/zinc/46/27/54/1095462754.db2.gz YBOIYQAPONWPFJ-IRXDYDNUSA-N 2 0 346.519 2.031 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001441661893 1095629629 /nfs/dbraw/zinc/62/96/29/1095629629.db2.gz SWZMHWVVKOKHQZ-QGZVFWFLSA-N 2 0 331.504 2.324 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001441857344 1095953666 /nfs/dbraw/zinc/95/36/66/1095953666.db2.gz HAIFXUJJGWCEFV-LMMKCTJWSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001441908570 1096078495 /nfs/dbraw/zinc/07/84/95/1096078495.db2.gz AKPVQLKAEHQHJR-QGZVFWFLSA-N 2 0 335.467 2.412 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001441933717 1096124331 /nfs/dbraw/zinc/12/43/31/1096124331.db2.gz RBDCQVUOWQHERW-YJBOKZPZSA-N 2 0 347.503 2.223 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001442071850 1096284470 /nfs/dbraw/zinc/28/44/70/1096284470.db2.gz XNZOXOVZZYJGIZ-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001442216529 1096509424 /nfs/dbraw/zinc/50/94/24/1096509424.db2.gz RHKLMWVESDYSMG-SJORKVTESA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001442252876 1096554140 /nfs/dbraw/zinc/55/41/40/1096554140.db2.gz IKZBYGFOSSECSX-QAPCUYQASA-N 2 0 347.478 2.460 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001442307028 1096623213 /nfs/dbraw/zinc/62/32/13/1096623213.db2.gz QTEKOOMVWOJOOI-PBHICJAKSA-N 2 0 336.480 2.230 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCc1ccccc1Cl ZINC001442621362 1096990643 /nfs/dbraw/zinc/99/06/43/1096990643.db2.gz PQUHKISQYRQCKL-UHFFFAOYSA-N 2 0 325.884 2.271 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001443123250 1097543310 /nfs/dbraw/zinc/54/33/10/1097543310.db2.gz NIXAPXPNZIBDME-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1ccn(CC)n1 ZINC001444018417 1098534965 /nfs/dbraw/zinc/53/49/65/1098534965.db2.gz JGPKEFPVTQOOMO-QGZVFWFLSA-N 2 0 349.523 2.008 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001479579136 1098616915 /nfs/dbraw/zinc/61/69/15/1098616915.db2.gz UIIHBEMKJZBXBX-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001479691157 1098753944 /nfs/dbraw/zinc/75/39/44/1098753944.db2.gz XDYOZDBDMBFFSM-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1c(F)cccc1F ZINC001444322933 1098883647 /nfs/dbraw/zinc/88/36/47/1098883647.db2.gz KKEBSTMNCJZOSR-SUMWQHHRSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001444372764 1098947573 /nfs/dbraw/zinc/94/75/73/1098947573.db2.gz FZVYAODFOUMLPJ-ZDUSSCGKSA-N 2 0 338.521 2.025 10 0 EEAERP Cc1oncc1C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001479800684 1099029617 /nfs/dbraw/zinc/02/96/17/1099029617.db2.gz RNCRATGYTISENX-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CCOCCC[NH+]1CCC(N(C)C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001479894328 1099271678 /nfs/dbraw/zinc/27/16/78/1099271678.db2.gz OICMIUUKHXOGJM-UHFFFAOYSA-N 2 0 336.480 2.037 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(C2CC2)no1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001444633437 1099460603 /nfs/dbraw/zinc/46/06/03/1099460603.db2.gz YFGRBPTYOMNHFQ-ZBFHGGJFSA-N 2 0 348.491 2.363 10 0 EEAERP CO[C@H](C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001444655303 1099489980 /nfs/dbraw/zinc/48/99/80/1099489980.db2.gz OWYDXDMSOCDTPK-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C(=O)CC[NH+](C)C ZINC001444670385 1099510296 /nfs/dbraw/zinc/51/02/96/1099510296.db2.gz RXTABGPRMXWTRP-IRXDYDNUSA-N 2 0 331.504 2.180 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001444731445 1099607291 /nfs/dbraw/zinc/60/72/91/1099607291.db2.gz RJERJDLJQUQVOP-HOTGVXAUSA-N 2 0 333.476 2.289 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480078683 1099622930 /nfs/dbraw/zinc/62/29/30/1099622930.db2.gz MONOSTLKSUGSCH-HZPDHXFCSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480173611 1099753617 /nfs/dbraw/zinc/75/36/17/1099753617.db2.gz LFMZXKHZILAKIC-GUDVDZBRSA-N 2 0 344.503 2.247 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001480208250 1099815692 /nfs/dbraw/zinc/81/56/92/1099815692.db2.gz RFQRPMCZFLMKFY-IYBDPMFKSA-N 2 0 333.451 2.355 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480219676 1099836647 /nfs/dbraw/zinc/83/66/47/1099836647.db2.gz IBNHHYCSRJRBLK-LISAXSMJSA-N 2 0 337.508 2.055 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001480221450 1099838536 /nfs/dbraw/zinc/83/85/36/1099838536.db2.gz WKBBMMIJXDCXSF-OIISXLGYSA-N 2 0 345.487 2.335 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)sc1C ZINC001444866263 1099860528 /nfs/dbraw/zinc/86/05/28/1099860528.db2.gz NRLSZSIQGJQMFG-GJZGRUSLSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001444986955 1100115717 /nfs/dbraw/zinc/11/57/17/1100115717.db2.gz HNRIGBVXWDYZIQ-QGZVFWFLSA-N 2 0 335.517 2.289 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1C ZINC001480464177 1100269439 /nfs/dbraw/zinc/26/94/39/1100269439.db2.gz PFVOBCHJYFEPDP-AYOQOUSVSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001480478949 1100286424 /nfs/dbraw/zinc/28/64/24/1100286424.db2.gz CBNGPXIFEMCICM-SJLPKXTDSA-N 2 0 346.519 2.221 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001445362261 1100598929 /nfs/dbraw/zinc/59/89/29/1100598929.db2.gz UARXRFJJMWXGCP-VQIMIIECSA-N 2 0 346.519 2.220 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCCC1 ZINC001496228719 1100787821 /nfs/dbraw/zinc/78/78/21/1100787821.db2.gz CQRQTXFHPYXIDQ-HNNXBMFYSA-N 2 0 329.444 2.465 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001495137127 1100808588 /nfs/dbraw/zinc/80/85/88/1100808588.db2.gz JVGXMSQZRNVXFA-NVXWUHKLSA-N 2 0 336.480 2.088 10 0 EEAERP COCCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001495489309 1101199020 /nfs/dbraw/zinc/19/90/20/1101199020.db2.gz KAFMDTKGMXIMSI-UHFFFAOYSA-N 2 0 345.487 2.057 10 0 EEAERP COc1ccc(C[NH2+][C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496625766 1101229013 /nfs/dbraw/zinc/22/90/13/1101229013.db2.gz CBCFQDDYOXRRPH-IEBWSBKVSA-N 2 0 347.503 2.267 10 0 EEAERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C)[NH+](C)C ZINC001496627282 1101231062 /nfs/dbraw/zinc/23/10/62/1101231062.db2.gz KRRZRWCLWZUOCW-LSDHHAIUSA-N 2 0 340.899 2.306 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN(Cc2nocc2C)C1 ZINC001446704481 1101270114 /nfs/dbraw/zinc/27/01/14/1101270114.db2.gz YKNYTECHMJJKAZ-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001495734589 1101500842 /nfs/dbraw/zinc/50/08/42/1101500842.db2.gz OULVFOQETMLORX-KSSFIOAISA-N 2 0 335.467 2.497 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001446976967 1101690087 /nfs/dbraw/zinc/69/00/87/1101690087.db2.gz ZVJLHJKPNKRPSG-GOEBONIOSA-N 2 0 335.517 2.274 10 0 EEAERP Cc1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001496076806 1102016945 /nfs/dbraw/zinc/01/69/45/1102016945.db2.gz CDCHJALEODQOSA-KSSFIOAISA-N 2 0 348.491 2.327 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001496080162 1102022734 /nfs/dbraw/zinc/02/27/34/1102022734.db2.gz OJZJYGCYAHUPDV-SJLPKXTDSA-N 2 0 349.523 2.275 10 0 EEAERP C[C@@H](CC[NH2+]CCc1cccs1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219787 1102143925 /nfs/dbraw/zinc/14/39/25/1102143925.db2.gz KQUXGFWWTWOWHK-HNNXBMFYSA-N 2 0 335.517 2.403 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496194805 1102200664 /nfs/dbraw/zinc/20/06/64/1102200664.db2.gz KSKYVCAITHWNBW-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001497407041 1102442428 /nfs/dbraw/zinc/44/24/28/1102442428.db2.gz HVQDAPYIKSETPL-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ncc(C[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)s1 ZINC001447355048 1102513480 /nfs/dbraw/zinc/51/34/80/1102513480.db2.gz NDKFAECLAHZXIA-CQSZACIVSA-N 2 0 338.521 2.074 10 0 EEAERP CN(CCC[N@H+](C)CC1CC1)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001447358213 1102520906 /nfs/dbraw/zinc/52/09/06/1102520906.db2.gz ZPGBXHUTBPYKTA-GOSISDBHSA-N 2 0 327.488 2.389 10 0 EEAERP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001447408002 1102602532 /nfs/dbraw/zinc/60/25/32/1102602532.db2.gz PKXPPRWESNYKER-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](Cc3conc3C)C2)C1 ZINC001447436497 1102652084 /nfs/dbraw/zinc/65/20/84/1102652084.db2.gz DBPOEKHEYDTVAB-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cccc(Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001497578088 1102691242 /nfs/dbraw/zinc/69/12/42/1102691242.db2.gz GJSXOAZNDGTIQV-QFRLHKFZSA-N 2 0 347.890 2.444 10 0 EEAERP Cc1ccc(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCOCC2)c(C)c1 ZINC001447490607 1102737537 /nfs/dbraw/zinc/73/75/37/1102737537.db2.gz FNGYGPOORCWYQV-UHFFFAOYSA-N 2 0 347.503 2.010 10 0 EEAERP Cc1ccc(CC[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001447632334 1103001345 /nfs/dbraw/zinc/00/13/45/1103001345.db2.gz JNYWGZYHCWPQSP-IEBWSBKVSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497837191 1103170125 /nfs/dbraw/zinc/17/01/25/1103170125.db2.gz GGBJGNOSRJWLKA-CXAGYDPISA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001447780845 1103320159 /nfs/dbraw/zinc/32/01/59/1103320159.db2.gz LEAHGBACEXPLPD-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001497963512 1103425113 /nfs/dbraw/zinc/42/51/13/1103425113.db2.gz XKTHFVHOPVGZAP-QGZVFWFLSA-N 2 0 329.488 2.118 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001447873965 1103489882 /nfs/dbraw/zinc/48/98/82/1103489882.db2.gz UAOCRVUQXOQAEC-CABCVRRESA-N 2 0 333.476 2.162 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001447920623 1103602192 /nfs/dbraw/zinc/60/21/92/1103602192.db2.gz OIGGVZUUVNSTAZ-STQMWFEESA-N 2 0 327.419 2.289 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001447922928 1103608757 /nfs/dbraw/zinc/60/87/57/1103608757.db2.gz CZZCMKUARRXACV-IUGWJDQWSA-N 2 0 327.900 2.344 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)o1 ZINC001447928980 1103622529 /nfs/dbraw/zinc/62/25/29/1103622529.db2.gz GZZTWDUQHNXTGP-UONOGXRCSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)o1 ZINC001447936936 1103641970 /nfs/dbraw/zinc/64/19/70/1103641970.db2.gz VGFDLHTURPCEJK-KGLIPLIRSA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001447968790 1103702172 /nfs/dbraw/zinc/70/21/72/1103702172.db2.gz RSJURDRRCYVMMN-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC1C[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC001494488249 1104072195 /nfs/dbraw/zinc/07/21/95/1104072195.db2.gz QNDBVXISEPPSGN-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1c(F)cccc1F ZINC001494950260 1104595376 /nfs/dbraw/zinc/59/53/76/1104595376.db2.gz RBGOFINYCFFYGR-DYVFJYSZSA-N 2 0 339.430 2.086 10 0 EEAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncc(F)c1 ZINC001494998643 1104640113 /nfs/dbraw/zinc/64/01/13/1104640113.db2.gz FXQXQYSEDYQPKU-IAGOWNOFSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1 ZINC001495037837 1104678801 /nfs/dbraw/zinc/67/88/01/1104678801.db2.gz NOVCNZRBCHUHNA-AEFFLSMTSA-N 2 0 333.476 2.034 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC001480596763 1106734580 /nfs/dbraw/zinc/73/45/80/1106734580.db2.gz LYQLJKPAEIHBQP-HNNXBMFYSA-N 2 0 328.460 2.169 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001480647072 1106815161 /nfs/dbraw/zinc/81/51/61/1106815161.db2.gz XHMBWBZLXDYGKA-SOLBZPMBSA-N 2 0 347.478 2.147 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001498053017 1106845341 /nfs/dbraw/zinc/84/53/41/1106845341.db2.gz CYSRIZVDIWWJJH-GUYCJALGSA-N 2 0 348.491 2.293 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480679176 1106868789 /nfs/dbraw/zinc/86/87/89/1106868789.db2.gz HOSKDIMSZDJNDB-UYAOXDASSA-N 2 0 343.515 2.317 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498086321 1106902817 /nfs/dbraw/zinc/90/28/17/1106902817.db2.gz CSAYUAAHUWOLCE-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@H]1CCCC1(F)F ZINC001493058474 1107415939 /nfs/dbraw/zinc/41/59/39/1107415939.db2.gz LTVVBRCXFORFCX-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC001493132989 1107564703 /nfs/dbraw/zinc/56/47/03/1107564703.db2.gz OZYZAADKORLYBP-SFHVURJKSA-N 2 0 340.471 2.267 10 0 EEAERP Cc1ccccc1OCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001493161767 1107616823 /nfs/dbraw/zinc/61/68/23/1107616823.db2.gz NMUVTVJWOHSTTP-SFHVURJKSA-N 2 0 347.503 2.295 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001493266149 1107809152 /nfs/dbraw/zinc/80/91/52/1107809152.db2.gz CHQUHFCRWHNKIX-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)(C(=O)N[C@@H](C[NH2+]Cc1nccs1)C1CC1)[NH+]1CCCC1 ZINC001498799143 1108126709 /nfs/dbraw/zinc/12/67/09/1108126709.db2.gz LAHBKAONWSIFMV-AWEZNQCLSA-N 2 0 336.505 2.002 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1cccc(F)c1F)C1CC1 ZINC001498861934 1108238652 /nfs/dbraw/zinc/23/86/52/1108238652.db2.gz GPRHFAFWAFNFSV-MRXNPFEDSA-N 2 0 337.414 2.045 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCOC)CC1 ZINC001493828222 1108709814 /nfs/dbraw/zinc/70/98/14/1108709814.db2.gz VOUYYUIHIIGTBW-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1 ZINC001499461715 1112297639 /nfs/dbraw/zinc/29/76/39/1112297639.db2.gz NUGJXRAFZWKQTH-CHWSQXEVSA-N 2 0 329.435 2.143 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001499619852 1112416515 /nfs/dbraw/zinc/41/65/15/1112416515.db2.gz QIHCYQLUZBPCSW-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCOCC1 ZINC001500594620 1112962865 /nfs/dbraw/zinc/96/28/65/1112962865.db2.gz WZQCKJMPMZEIDT-UHFFFAOYSA-N 2 0 347.503 2.092 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001500613181 1112976677 /nfs/dbraw/zinc/97/66/77/1112976677.db2.gz CHXKLNBASYKTDR-KGLIPLIRSA-N 2 0 337.430 2.150 10 0 EEAERP C[C@@H](F)CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001501243195 1113259160 /nfs/dbraw/zinc/25/91/60/1113259160.db2.gz WBIMBUDBYNBFSF-ZACQAIPSSA-N 2 0 325.472 2.001 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001501569426 1113386332 /nfs/dbraw/zinc/38/63/32/1113386332.db2.gz YANZJLBPJSDYQC-FUHWJXTLSA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001501710318 1113444732 /nfs/dbraw/zinc/44/47/32/1113444732.db2.gz KDACNILNMYMRCW-CTYIDZIISA-N 2 0 331.451 2.248 10 0 EEAERP CCc1nc(C)c(C[NH2+]C2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC2)o1 ZINC001502000307 1113553760 /nfs/dbraw/zinc/55/37/60/1113553760.db2.gz ZKGDJDOCDOCAER-AWEZNQCLSA-N 2 0 348.491 2.016 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001502125805 1113603489 /nfs/dbraw/zinc/60/34/89/1113603489.db2.gz KXKGVJFYPAUDKQ-MSOLQXFVSA-N 2 0 341.540 2.216 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H]2CCCCO2)CC1(C)C ZINC001502838310 1113829842 /nfs/dbraw/zinc/82/98/42/1113829842.db2.gz FMWFKGOSXQNSPD-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(CO)CC[NH+](CCCC(C)(C)C)CC1 ZINC001505391233 1113929263 /nfs/dbraw/zinc/92/92/63/1113929263.db2.gz SDEWMAZJTFEAGF-UHFFFAOYSA-N 2 0 341.540 2.098 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001505503618 1114027175 /nfs/dbraw/zinc/02/71/75/1114027175.db2.gz NPLHMEFWAFATEY-QQFBHYJXSA-N 2 0 325.472 2.095 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CCOC1CCC1 ZINC001505606616 1114082143 /nfs/dbraw/zinc/08/21/43/1114082143.db2.gz UUCXEVUPBLCLLA-HZPDHXFCSA-N 2 0 339.524 2.303 10 0 EEAERP C[C@@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001505819954 1114213585 /nfs/dbraw/zinc/21/35/85/1114213585.db2.gz DZMROHXYIDSALZ-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(NC1(C[NH2+]C[C@@H]2CCCCO2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001506523010 1114672087 /nfs/dbraw/zinc/67/20/87/1114672087.db2.gz SXKZHTVTIAPWIA-KRWDZBQOSA-N 2 0 349.519 2.060 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CCc3cccs3)C[C@H]21)C1CCC1 ZINC001506795858 1114884756 /nfs/dbraw/zinc/88/47/56/1114884756.db2.gz SQWPZJMBLGSQLE-NNZMDNLPSA-N 2 0 347.528 2.069 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1noc2c1CCCC2)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506914090 1114968923 /nfs/dbraw/zinc/96/89/23/1114968923.db2.gz MPVKLDZHXCYWLV-YOEHRIQHSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)s1 ZINC001507095893 1115105807 /nfs/dbraw/zinc/10/58/07/1115105807.db2.gz KGAMXFYVZIBDOX-ZDUSSCGKSA-N 2 0 336.505 2.016 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC2(CC2)CC1 ZINC001507149768 1115134493 /nfs/dbraw/zinc/13/44/93/1115134493.db2.gz QYCICSFZSYNQMP-MRXNPFEDSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001507152285 1115136147 /nfs/dbraw/zinc/13/61/47/1115136147.db2.gz BMECXUTXOLCQLY-PBHICJAKSA-N 2 0 328.460 2.056 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCOC1CCCCCC1 ZINC001507152548 1115136239 /nfs/dbraw/zinc/13/62/39/1115136239.db2.gz CYZXUWFIBMCAIV-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCOCC2)[C@H]1C ZINC001507291939 1115176851 /nfs/dbraw/zinc/17/68/51/1115176851.db2.gz GNCSVJMLUBXTFB-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507318035 1115189485 /nfs/dbraw/zinc/18/94/85/1115189485.db2.gz GLLQKSWJIMWIEG-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@@H]2CCCCO2)CC3)CC1 ZINC001507348556 1115211288 /nfs/dbraw/zinc/21/12/88/1115211288.db2.gz ONQMDGJPAJEHHP-ZWOKBUDYSA-N 2 0 349.519 2.011 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCCOC(C)C)CC2)[NH+](C)C ZINC001507361004 1115221829 /nfs/dbraw/zinc/22/18/29/1115221829.db2.gz YLNABPPPTMPEQC-AOIWGVFYSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ncc(CN2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)s1 ZINC001507389697 1115246341 /nfs/dbraw/zinc/24/63/41/1115246341.db2.gz ZJUDFWQDJRDPPJ-CJNGLKHVSA-N 2 0 338.521 2.261 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC2(C)C)n1 ZINC001507453231 1115278186 /nfs/dbraw/zinc/27/81/86/1115278186.db2.gz CUGKFPXBSYLLEN-KRWDZBQOSA-N 2 0 349.523 2.131 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001508023854 1115390959 /nfs/dbraw/zinc/39/09/59/1115390959.db2.gz DXUFHKHSVKNZOP-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508086197 1115416708 /nfs/dbraw/zinc/41/67/08/1115416708.db2.gz OLLQTPQQIDGQCB-KBPBESRZSA-N 2 0 337.430 2.353 10 0 EEAERP CN(CCOCC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001508182566 1115435982 /nfs/dbraw/zinc/43/59/82/1115435982.db2.gz BMEHYLYCPMONIJ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2=CC[N@H+](C[C@H]3CCCCO3)CC2)CC1 ZINC001508223252 1115451220 /nfs/dbraw/zinc/45/12/20/1115451220.db2.gz RIAWTNIGUAUGTI-LJQANCHMSA-N 2 0 349.519 2.036 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCOC(C)(C)C ZINC001542691489 1124115256 /nfs/dbraw/zinc/11/52/56/1124115256.db2.gz BQILGAHDDCSGFW-QGZVFWFLSA-N 2 0 341.540 2.456 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001568006903 1124227006 /nfs/dbraw/zinc/22/70/06/1124227006.db2.gz LSXOWLIXECYQGR-HNNXBMFYSA-N 2 0 327.488 2.485 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568151584 1124327986 /nfs/dbraw/zinc/32/79/86/1124327986.db2.gz GMMKTMBQLGXUBO-WOJBJXKFSA-N 2 0 343.515 2.324 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001568359174 1124436607 /nfs/dbraw/zinc/43/66/07/1124436607.db2.gz HUYCYPZRAMSUNI-KDOFPFPSSA-N 2 0 344.459 2.119 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001568409564 1124479072 /nfs/dbraw/zinc/47/90/72/1124479072.db2.gz NDQDOLWMLFXOHU-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001568409561 1124479218 /nfs/dbraw/zinc/47/92/18/1124479218.db2.gz NDQDOLWMLFXOHU-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001568415752 1124484145 /nfs/dbraw/zinc/48/41/45/1124484145.db2.gz AYGFUULSBLTXLL-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001568546935 1124605723 /nfs/dbraw/zinc/60/57/23/1124605723.db2.gz ZUVCLXWKKDRWHY-NJEVBOHQSA-N 2 0 327.900 2.489 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001568713346 1124730791 /nfs/dbraw/zinc/73/07/91/1124730791.db2.gz DULMHXVQQUYNFW-SJLPKXTDSA-N 2 0 332.492 2.186 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001568714156 1124731366 /nfs/dbraw/zinc/73/13/66/1124731366.db2.gz PMAMZDSEOFLYJA-DOTOQJQBSA-N 2 0 336.480 2.170 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568851491 1124872104 /nfs/dbraw/zinc/87/21/04/1124872104.db2.gz FSXGBVKQCMDXFG-KKHYBRAUSA-N 2 0 341.499 2.353 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)ns1 ZINC001568859212 1124883945 /nfs/dbraw/zinc/88/39/45/1124883945.db2.gz YEXDZSOAEVEOJE-YIEVGGLXSA-N 2 0 336.505 2.088 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001568910998 1124939127 /nfs/dbraw/zinc/93/91/27/1124939127.db2.gz ADHQIXDZWCXMIK-VOTSOKGWSA-N 2 0 329.488 2.353 10 0 EEAERP CCc1nocc1C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568942574 1124974610 /nfs/dbraw/zinc/97/46/10/1124974610.db2.gz CMEAFXZUJOUFQH-WAYWQWQTSA-N 2 0 348.491 2.119 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001568971066 1125009373 /nfs/dbraw/zinc/00/93/73/1125009373.db2.gz DVBDJAOMZJCUKN-MJSXRHKHSA-N 2 0 336.505 2.026 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001569002997 1125033996 /nfs/dbraw/zinc/03/39/96/1125033996.db2.gz YVDWKMPTUDJYAD-SJLPKXTDSA-N 2 0 347.503 2.206 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccns1 ZINC001569085096 1125088360 /nfs/dbraw/zinc/08/83/60/1125088360.db2.gz SUAQRYJRYPXKRU-HOCLYGCPSA-N 2 0 338.521 2.043 10 0 EEAERP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001569088059 1125090666 /nfs/dbraw/zinc/09/06/66/1125090666.db2.gz LISHJVDDPBXWQR-HNNXBMFYSA-N 2 0 327.513 2.018 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccns1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001569098874 1125097149 /nfs/dbraw/zinc/09/71/49/1125097149.db2.gz ICLKQBHPWALMDX-AWEZNQCLSA-N 2 0 346.500 2.155 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1nc2ccccc2o1 ZINC001569229830 1125181094 /nfs/dbraw/zinc/18/10/94/1125181094.db2.gz JHJIUSKONWQAIP-GDBMZVCRSA-N 2 0 344.459 2.421 10 0 EEAERP COCC[NH+](CCOC)CC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000053942004 214206896 /nfs/dbraw/zinc/20/68/96/214206896.db2.gz VWSAMCOVAYMPND-OAHLLOKOSA-N 2 0 345.281 2.434 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416148113 529865279 /nfs/dbraw/zinc/86/52/79/529865279.db2.gz CMRUXFJVOFBIQO-UHFFFAOYSA-N 2 0 329.488 2.235 10 0 EEAERP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCOC2)c1)C1CCOCC1 ZINC000163967426 539537234 /nfs/dbraw/zinc/53/72/34/539537234.db2.gz BGWKLOWCMKYWTE-GOSISDBHSA-N 2 0 348.487 2.445 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000037759632 213165123 /nfs/dbraw/zinc/16/51/23/213165123.db2.gz OZJCXGYHRFTTAP-CYBMUJFWSA-N 2 0 326.282 2.347 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422895114 240279924 /nfs/dbraw/zinc/27/99/24/240279924.db2.gz DYWCOAIUJHJCHJ-RTWAWAEBSA-N 2 0 343.515 2.316 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140442 240381195 /nfs/dbraw/zinc/38/11/95/240381195.db2.gz YGXCJVBIYAUABJ-XUVXKRRUSA-N 2 0 343.515 2.385 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262880555 152332602 /nfs/dbraw/zinc/33/26/02/152332602.db2.gz YYQNFOYKWIDOEM-KRWDZBQOSA-N 2 0 347.507 2.002 10 0 EEAERP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000251541330 160389686 /nfs/dbraw/zinc/38/96/86/160389686.db2.gz GHCLJXMWRAVRBP-SZMVWBNQSA-N 2 0 330.476 2.025 10 0 EEAERP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261548078 160398570 /nfs/dbraw/zinc/39/85/70/160398570.db2.gz JBOWKVAWGYXWGP-ZWKOTPCHSA-N 2 0 327.472 2.109 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000186359351 160068312 /nfs/dbraw/zinc/06/83/12/160068312.db2.gz HFARXNVJEMDSGZ-KRWDZBQOSA-N 2 0 345.491 2.035 10 0 EEAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000245446142 160235665 /nfs/dbraw/zinc/23/56/65/160235665.db2.gz KXPRLEXXQNNHCM-SJLPKXTDSA-N 2 0 340.895 2.491 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000247542589 160328125 /nfs/dbraw/zinc/32/81/25/160328125.db2.gz YNNITHVYIXDUHU-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000248083767 160337695 /nfs/dbraw/zinc/33/76/95/160337695.db2.gz SINNZLGFFFVCLJ-GBESFXJTSA-N 2 0 342.487 2.312 10 0 EEAERP C(CCN1CC[N@@H+]2CCCC[C@H]2C1)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000248356544 160341861 /nfs/dbraw/zinc/34/18/61/160341861.db2.gz OLBRFUVBLPGLKZ-PMACEKPBSA-N 2 0 334.552 2.107 10 0 EEAERP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342509688 161070574 /nfs/dbraw/zinc/07/05/74/161070574.db2.gz MVOPCUNTLIAGIH-LJQANCHMSA-N 2 0 344.503 2.169 10 0 EEAERP C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000346489004 161376355 /nfs/dbraw/zinc/37/63/55/161376355.db2.gz KCEWYBKCPUGCTF-NWDGAFQWSA-N 2 0 349.385 2.370 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272666628 269005732 /nfs/dbraw/zinc/00/57/32/269005732.db2.gz OCGPZKNENYPNBA-GOSISDBHSA-N 2 0 346.519 2.190 10 0 EEAERP NC(=O)N1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000178634593 274002215 /nfs/dbraw/zinc/00/22/15/274002215.db2.gz IIECQMYRNXUIEI-UHFFFAOYSA-N 2 0 330.476 2.031 10 0 EEAERP CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCn2ccnc2)CC1 ZINC000190355153 274041975 /nfs/dbraw/zinc/04/19/75/274041975.db2.gz LGUDTQJIJOWZEY-UHFFFAOYSA-N 2 0 336.480 2.011 10 0 EEAERP COc1ccc([C@H](C[NH+](C)C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291744025 275335801 /nfs/dbraw/zinc/33/58/01/275335801.db2.gz YXGWQWXEGLTPIC-SFHVURJKSA-N 2 0 333.476 2.146 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000291755565 275337127 /nfs/dbraw/zinc/33/71/27/275337127.db2.gz UXRSNRNTHINUGG-UHFFFAOYSA-N 2 0 330.476 2.146 10 0 EEAERP Cc1cc2ncn(C[C@@H](O)C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063884 275370401 /nfs/dbraw/zinc/37/04/01/275370401.db2.gz CSZFVHONUBNSIT-PXNSSMCTSA-N 2 0 342.487 2.042 10 0 EEAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297421738 294240408 /nfs/dbraw/zinc/24/04/08/294240408.db2.gz ZCMDWFBMMCTCDO-OAGGEKHMSA-N 2 0 343.475 2.500 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297507630 294264231 /nfs/dbraw/zinc/26/42/31/294264231.db2.gz XLZBYOBVAFOWJU-HRVKUGKESA-N 2 0 344.503 2.084 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267240 297257200 /nfs/dbraw/zinc/25/72/00/297257200.db2.gz SYZPYQUFMWIOQB-AEFFLSMTSA-N 2 0 332.492 2.243 10 0 EEAERP C[NH+]1CCN(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166027926 311390919 /nfs/dbraw/zinc/39/09/19/311390919.db2.gz ZCXHEDDBHOCKSP-QUCCMNQESA-N 2 0 331.504 2.381 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339067865 312251544 /nfs/dbraw/zinc/25/15/44/312251544.db2.gz KAYDIIHTGBESFU-GGPKGHCWSA-N 2 0 331.504 2.380 10 0 EEAERP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCSC3)cc2)CC1 ZINC000414324566 312997631 /nfs/dbraw/zinc/99/76/31/312997631.db2.gz KPWGKHQNBIAJJN-GOSISDBHSA-N 2 0 347.528 2.369 10 0 EEAERP CCc1nocc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414521253 313035864 /nfs/dbraw/zinc/03/58/64/313035864.db2.gz FAIRKTQRGROZLM-UHFFFAOYSA-N 2 0 329.444 2.354 10 0 EEAERP CCN(CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000416866364 313340836 /nfs/dbraw/zinc/34/08/36/313340836.db2.gz APYVJQFLDVGWJL-GOSISDBHSA-N 2 0 330.476 2.439 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416907948 313356997 /nfs/dbraw/zinc/35/69/97/313356997.db2.gz VJXNXTNYPWSUJO-RBUKOAKNSA-N 2 0 342.487 2.176 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)CC1 ZINC000417922075 313650450 /nfs/dbraw/zinc/65/04/50/313650450.db2.gz ILJWZYYAQGVCTG-UGXKVIGPSA-N 2 0 348.535 2.423 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418231467 313756910 /nfs/dbraw/zinc/75/69/10/313756910.db2.gz BTBCQAGPTDYPAQ-KTGAGVNESA-N 2 0 336.524 2.421 10 0 EEAERP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000516164057 316538526 /nfs/dbraw/zinc/53/85/26/316538526.db2.gz BRGGMASVNILFGS-UHFFFAOYSA-N 2 0 334.439 2.467 10 0 EEAERP CC1CCC([NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529363908 317580397 /nfs/dbraw/zinc/58/03/97/317580397.db2.gz WMASWCNFMHKEFJ-JCYILVPMSA-N 2 0 334.508 2.177 10 0 EEAERP COC[C@H](C)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000557668871 318690314 /nfs/dbraw/zinc/69/03/14/318690314.db2.gz IXSMPDUFFWZPQY-QGZVFWFLSA-N 2 0 335.492 2.032 10 0 EEAERP O=C(NCC[C@H]1CCC[NH2+]C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000562809976 318933652 /nfs/dbraw/zinc/93/36/52/318933652.db2.gz ZUYUTBVYMILNEL-MRXNPFEDSA-N 2 0 336.524 2.472 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000563506137 319016858 /nfs/dbraw/zinc/01/68/58/319016858.db2.gz PBFFMOXQBYJRRE-AWEZNQCLSA-N 2 0 332.448 2.165 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574548847 320035935 /nfs/dbraw/zinc/03/59/35/320035935.db2.gz NOHDBRODGQEHQV-HPBDAGMYSA-N 2 0 330.476 2.119 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000575937532 320127217 /nfs/dbraw/zinc/12/72/17/320127217.db2.gz PMZXCVYFQAOWPD-UHFFFAOYSA-N 2 0 336.524 2.236 10 0 EEAERP C[C@@]1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC[NH2+]C1 ZINC000581418385 324248931 /nfs/dbraw/zinc/24/89/31/324248931.db2.gz DHBZKDYDZUOZIS-HXUWFJFHSA-N 2 0 344.503 2.471 10 0 EEAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000581656849 324297338 /nfs/dbraw/zinc/29/73/38/324297338.db2.gz YMRPEEVPIPVJFE-JQHSSLGASA-N 2 0 347.478 2.413 10 0 EEAERP CCCCNc1cc(C)[nH+]c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000631372137 451715572 /nfs/dbraw/zinc/71/55/72/451715572.db2.gz HUSKGSDRSRIHBM-MRXNPFEDSA-N 2 0 333.480 2.032 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000339236706 465157100 /nfs/dbraw/zinc/15/71/00/465157100.db2.gz HKLDXVGADHJCRY-GOSISDBHSA-N 2 0 326.444 2.176 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000341468621 465183699 /nfs/dbraw/zinc/18/36/99/465183699.db2.gz UWCOHTSFXXOOBO-SQNIBIBYSA-N 2 0 334.508 2.273 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cn1 ZINC000339277802 465184623 /nfs/dbraw/zinc/18/46/23/465184623.db2.gz XHKPSWGLEVHLGE-UHFFFAOYSA-N 2 0 326.444 2.135 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000046281688 462667156 /nfs/dbraw/zinc/66/71/56/462667156.db2.gz VBTQBOUTGNCBQM-QGZVFWFLSA-N 2 0 344.503 2.218 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000118785111 462852725 /nfs/dbraw/zinc/85/27/25/462852725.db2.gz VGGOGEQPTOWPFO-KRWDZBQOSA-N 2 0 346.519 2.289 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000067683385 463036013 /nfs/dbraw/zinc/03/60/13/463036013.db2.gz HAJJKQPIXWOBAX-OALUTQOASA-N 2 0 346.519 2.189 10 0 EEAERP Cc1ccc([C@@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000077838780 463059963 /nfs/dbraw/zinc/05/99/63/463059963.db2.gz YJANUFLECVKUEP-KRWDZBQOSA-N 2 0 334.508 2.233 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCO[C@H](C)C2)CC1 ZINC000568472974 468340761 /nfs/dbraw/zinc/34/07/61/468340761.db2.gz FIFVLNQNKWKJFJ-RTBURBONSA-N 2 0 345.531 2.392 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)COC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000568505941 468347426 /nfs/dbraw/zinc/34/74/26/468347426.db2.gz HTBOVUMNVCNFFJ-DAWZGUTISA-N 2 0 333.476 2.000 10 0 EEAERP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C(=O)O1 ZINC000069493229 463260230 /nfs/dbraw/zinc/26/02/30/463260230.db2.gz DMRGWEPRNNEMLT-LZQZEXGQSA-N 2 0 346.471 2.068 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000070020726 463368657 /nfs/dbraw/zinc/36/86/57/463368657.db2.gz MVCLUZUIGKCAJZ-KRWDZBQOSA-N 2 0 342.487 2.397 10 0 EEAERP CCn1c2ccccc2nc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105476308 463453590 /nfs/dbraw/zinc/45/35/90/463453590.db2.gz ZHMLFAJQXUXXJW-UHFFFAOYSA-N 2 0 329.492 2.173 10 0 EEAERP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875967 463485133 /nfs/dbraw/zinc/48/51/33/463485133.db2.gz SEZUMTDMTQPWMJ-HOTGVXAUSA-N 2 0 332.492 2.464 10 0 EEAERP COc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1NC(C)=O ZINC000151374531 463520383 /nfs/dbraw/zinc/52/03/83/463520383.db2.gz HPUZTLNIRSURJV-CQSZACIVSA-N 2 0 349.475 2.151 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000579577847 468377521 /nfs/dbraw/zinc/37/75/21/468377521.db2.gz OPGUJZZAWBVNDF-HOCLYGCPSA-N 2 0 333.501 2.160 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000194661043 463904255 /nfs/dbraw/zinc/90/42/55/463904255.db2.gz ARTDBWWULVEWQZ-IRXDYDNUSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261990236 463919259 /nfs/dbraw/zinc/91/92/59/463919259.db2.gz SPWULUCEEPXQJJ-ZWJWXYIHSA-N 2 0 337.552 2.490 10 0 EEAERP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261991269 463920404 /nfs/dbraw/zinc/92/04/04/463920404.db2.gz SJPATFJMMKZEBT-BEFAXECRSA-N 2 0 347.478 2.468 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179275938 464096229 /nfs/dbraw/zinc/09/62/29/464096229.db2.gz GVVUYEQVZYCKED-RBUKOAKNSA-N 2 0 344.503 2.415 10 0 EEAERP CCCn1nc(C)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000179515091 464150701 /nfs/dbraw/zinc/15/07/01/464150701.db2.gz XDRRZZJQGOUOKI-OAHLLOKOSA-N 2 0 336.524 2.435 10 0 EEAERP C[N@@H+]1CC[C@@]2(CCN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)C1 ZINC000292262722 464178800 /nfs/dbraw/zinc/17/88/00/464178800.db2.gz YSNXJHVPFITQJR-NHCUHLMSSA-N 2 0 343.515 2.305 10 0 EEAERP Cn1ccnc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000263898341 464231874 /nfs/dbraw/zinc/23/18/74/464231874.db2.gz URTKLKRLTCMKSS-UHFFFAOYSA-N 2 0 341.503 2.108 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000271578464 464335633 /nfs/dbraw/zinc/33/56/33/464335633.db2.gz ZYAVKNDHGKOBQA-MJGOQNOKSA-N 2 0 332.488 2.276 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245921067 464527432 /nfs/dbraw/zinc/52/74/32/464527432.db2.gz MDWUQLSYYSXPPD-QZTJIDSGSA-N 2 0 336.524 2.378 10 0 EEAERP CC[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000246235747 464561594 /nfs/dbraw/zinc/56/15/94/464561594.db2.gz TZWSQBGMFVQWPN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)C[C@@H]21 ZINC000568966728 468414183 /nfs/dbraw/zinc/41/41/83/468414183.db2.gz SDFCGTNWFVSYMG-YZGWKJHDSA-N 2 0 341.499 2.428 10 0 EEAERP C[NH+](Cc1cncc(C[N@H+](C)C[C@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000569070695 468431045 /nfs/dbraw/zinc/43/10/45/468431045.db2.gz ZUAAXHITLXBFHZ-RTBURBONSA-N 2 0 333.476 2.303 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000337668065 465506676 /nfs/dbraw/zinc/50/66/76/465506676.db2.gz UMPVHIGTHMPAEZ-MSOLQXFVSA-N 2 0 334.508 2.131 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc21 ZINC000340155078 465825126 /nfs/dbraw/zinc/82/51/26/465825126.db2.gz YTUDMMQQJWPVDW-HDICACEKSA-N 2 0 340.471 2.062 10 0 EEAERP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000349061306 465944860 /nfs/dbraw/zinc/94/48/60/465944860.db2.gz INPJEAWFROPCTB-UHFFFAOYSA-N 2 0 331.464 2.128 10 0 EEAERP CN(C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340302731 465969788 /nfs/dbraw/zinc/96/97/88/465969788.db2.gz KCWAKJDYHCPKMJ-FHWLQOOXSA-N 2 0 342.487 2.310 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000357348135 465970628 /nfs/dbraw/zinc/97/06/28/465970628.db2.gz MKOHBYOYHWKYTO-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000372116748 466170558 /nfs/dbraw/zinc/17/05/58/466170558.db2.gz QPMHFURHALKYOI-UHFFFAOYSA-N 2 0 335.517 2.500 10 0 EEAERP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367614395 466449208 /nfs/dbraw/zinc/44/92/08/466449208.db2.gz HAPFNROIOPBECV-OTWHNJEPSA-N 2 0 329.488 2.393 10 0 EEAERP COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000341008442 466509012 /nfs/dbraw/zinc/50/90/12/466509012.db2.gz ACHKIDVVHBGBGV-OAHLLOKOSA-N 2 0 345.487 2.397 10 0 EEAERP CCc1oc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000597248440 468495925 /nfs/dbraw/zinc/49/59/25/468495925.db2.gz VVEJVJHARXETQU-AWEZNQCLSA-N 2 0 338.448 2.171 10 0 EEAERP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CCC2 ZINC000423190544 466693677 /nfs/dbraw/zinc/69/36/77/466693677.db2.gz SPMOUFJHTOTKPT-HNNXBMFYSA-N 2 0 342.409 2.363 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000645183632 471168081 /nfs/dbraw/zinc/16/80/81/471168081.db2.gz KQVCONAVRVKWBI-ACBHZAAOSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000417027394 466758428 /nfs/dbraw/zinc/75/84/28/466758428.db2.gz ZSHZMUNLLQDJHF-QZTJIDSGSA-N 2 0 346.519 2.320 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417218436 466806558 /nfs/dbraw/zinc/80/65/58/466806558.db2.gz GUTMEDDWPYLIQC-BFYDXBDKSA-N 2 0 336.524 2.279 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417253558 466816217 /nfs/dbraw/zinc/81/62/17/466816217.db2.gz LRVZZCPFZOKRLH-DFGXFYAUSA-N 2 0 332.492 2.352 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417253721 466816357 /nfs/dbraw/zinc/81/63/57/466816357.db2.gz LYEDGSULXNGDBN-MJQMVNBJSA-N 2 0 336.524 2.138 10 0 EEAERP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000373724495 466900910 /nfs/dbraw/zinc/90/09/10/466900910.db2.gz CORBJWOYECLTDS-KRWDZBQOSA-N 2 0 345.462 2.344 10 0 EEAERP C[C@@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000417664745 466903491 /nfs/dbraw/zinc/90/34/91/466903491.db2.gz XGQVYKSQAPGACU-CJNGLKHVSA-N 2 0 336.455 2.014 10 0 EEAERP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000417739575 466921861 /nfs/dbraw/zinc/92/18/61/466921861.db2.gz QEEVXICSYFHBQO-LZWOXQAQSA-N 2 0 336.505 2.134 10 0 EEAERP COc1c[nH+]ccc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000450892297 467199119 /nfs/dbraw/zinc/19/91/19/467199119.db2.gz DDYFVXRDTSENFV-UHFFFAOYSA-N 2 0 340.471 2.344 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433307319 467316700 /nfs/dbraw/zinc/31/67/00/467316700.db2.gz VDCXUVXUICUTKG-UHFFFAOYSA-N 2 0 331.464 2.177 10 0 EEAERP O=C(C[NH+]1CCC(c2ccncc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000429525531 467341976 /nfs/dbraw/zinc/34/19/76/467341976.db2.gz DOTWBKFCWYYYHW-UHFFFAOYSA-N 2 0 342.487 2.004 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383343443 467380827 /nfs/dbraw/zinc/38/08/27/467380827.db2.gz LOEPUUHUEKRCCL-GBESFXJTSA-N 2 0 329.488 2.390 10 0 EEAERP C[N@H+](C[C@@H](O)CNC[C@@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000397898074 467444381 /nfs/dbraw/zinc/44/43/81/467444381.db2.gz QYWFSJGZMQVPPB-VQTJNVASSA-N 2 0 331.504 2.086 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414930026 467453155 /nfs/dbraw/zinc/45/31/55/467453155.db2.gz ALFKLMGUXZPQFB-KCQAQPDRSA-N 2 0 335.448 2.009 10 0 EEAERP Cc1n[nH]c(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000449232830 467624841 /nfs/dbraw/zinc/62/48/41/467624841.db2.gz WIBGBFJGUXONLK-HNNXBMFYSA-N 2 0 327.476 2.341 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)o1 ZINC000529302265 467842475 /nfs/dbraw/zinc/84/24/75/467842475.db2.gz JFXYJFSXHSPNPJ-RDJZCZTQSA-N 2 0 346.475 2.309 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000461792057 467969732 /nfs/dbraw/zinc/96/97/32/467969732.db2.gz XZYQHUNLJBIJCR-YESZJQIVSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@@H]1CCNC(=O)[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519597329 468178503 /nfs/dbraw/zinc/17/85/03/468178503.db2.gz BKEPAKVSRRFESL-NXHRZFHOSA-N 2 0 327.472 2.298 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594205337 468512001 /nfs/dbraw/zinc/51/20/01/468512001.db2.gz RJUKUPNPSWJIBC-WOJBJXKFSA-N 2 0 331.504 2.040 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)c2)CC1 ZINC000569986642 468573933 /nfs/dbraw/zinc/57/39/33/468573933.db2.gz CFWPQUBKEVSRSR-MRXNPFEDSA-N 2 0 330.476 2.109 10 0 EEAERP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)n(C)n1 ZINC000570009762 468576668 /nfs/dbraw/zinc/57/66/68/468576668.db2.gz YXTDELJNKIZWDL-GOSISDBHSA-N 2 0 331.508 2.161 10 0 EEAERP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000583078227 468639783 /nfs/dbraw/zinc/63/97/83/468639783.db2.gz DKQGKCWZVKGKAD-RTBURBONSA-N 2 0 345.487 2.131 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000570617783 468665619 /nfs/dbraw/zinc/66/56/19/468665619.db2.gz WBUKTKQOVJMQTP-QAPCUYQASA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H](CSCCF)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000595008126 468741953 /nfs/dbraw/zinc/74/19/53/468741953.db2.gz AQSZSRXFSBKRSK-AWEZNQCLSA-N 2 0 326.485 2.014 10 0 EEAERP C[C@@H]([NH3+])[C@H]1COCC[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000583865911 468767141 /nfs/dbraw/zinc/76/71/41/468767141.db2.gz SEEROLUXGSRDIX-SQOWSMRPSA-N 2 0 347.503 2.460 10 0 EEAERP CCOC(=O)C1(C)CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000601285525 468811177 /nfs/dbraw/zinc/81/11/77/468811177.db2.gz WATSZBWSXNMIFZ-FDYSRKEFSA-N 2 0 346.471 2.075 10 0 EEAERP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC1CCCC1 ZINC000571910747 468856770 /nfs/dbraw/zinc/85/67/70/468856770.db2.gz WPIUUOHZSQRZDV-VQTJNVASSA-N 2 0 332.488 2.284 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000572346646 468919250 /nfs/dbraw/zinc/91/92/50/468919250.db2.gz HQHVFSMMDNQLMZ-IEBWSBKVSA-N 2 0 330.476 2.074 10 0 EEAERP 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336.505 2.325 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cccc(OC)c1 ZINC000626927115 469757109 /nfs/dbraw/zinc/75/71/09/469757109.db2.gz TWPKURYTRUVWJZ-QGTPRVQTSA-N 2 0 348.491 2.128 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)Cc1ccccc1 ZINC000626933295 469760675 /nfs/dbraw/zinc/76/06/75/469760675.db2.gz JMQICTIIGXRVKD-UHOSZYNNSA-N 2 0 346.519 2.379 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000623916328 469795824 /nfs/dbraw/zinc/79/58/24/469795824.db2.gz LZVBJKDIZICVBR-MAUKXSAKSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000627033893 469797495 /nfs/dbraw/zinc/79/74/95/469797495.db2.gz XLVIVXYHIOCMAH-VUBSUSDNSA-N 2 0 344.503 2.319 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000627169036 469833144 /nfs/dbraw/zinc/83/31/44/469833144.db2.gz MTGHPNJFFZFQHW-ZWKOTPCHSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199681 469841502 /nfs/dbraw/zinc/84/15/02/469841502.db2.gz AXWASLUJORUYOU-ZIFCJYIRSA-N 2 0 344.503 2.433 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000620976680 469965999 /nfs/dbraw/zinc/96/59/99/469965999.db2.gz KQPJEVFCFJSQPM-MOPGFXCFSA-N 2 0 347.503 2.249 10 0 EEAERP CC[NH+]1CCC([NH2+]CCC2(O)CCN(c3ccccc3)CC2)CC1 ZINC000631702420 470178761 /nfs/dbraw/zinc/17/87/61/470178761.db2.gz SJWARKFUKAXYDP-UHFFFAOYSA-N 2 0 331.504 2.482 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000645785800 470416595 /nfs/dbraw/zinc/41/65/95/470416595.db2.gz VOYZHOJMZFQZIH-GOSISDBHSA-N 2 0 338.540 2.480 10 0 EEAERP COC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647343935 470885565 /nfs/dbraw/zinc/88/55/65/470885565.db2.gz FZNAFNCWNVXRGR-HSALFYBXSA-N 2 0 332.488 2.363 10 0 EEAERP C[C@]1(F)C[NH2+]CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000647544660 470927903 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NYVBTYQVTNOSCK-JSXRDJHFSA-N 3 0 343.515 2.216 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666214074 471318345 /nfs/dbraw/zinc/31/83/45/471318345.db2.gz QOOUZDHMEDTVTC-OAHLLOKOSA-N 2 0 328.420 2.262 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487653 471347737 /nfs/dbraw/zinc/34/77/37/471347737.db2.gz KDRBETCDWYCVFI-XLMAVXFVSA-N 2 0 347.503 2.327 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658647 471432980 /nfs/dbraw/zinc/43/29/80/471432980.db2.gz FRZUDAQLFBKRQZ-GDBMZVCRSA-N 2 0 347.425 2.205 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000655805139 471489099 /nfs/dbraw/zinc/48/90/99/471489099.db2.gz CYAROPJKNAKCLF-SGMGOOAPSA-N 2 0 328.453 2.220 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660801102 471491521 /nfs/dbraw/zinc/49/15/21/471491521.db2.gz ODJLUIUGDSPXIH-QFBILLFUSA-N 2 0 344.503 2.100 10 0 EEAERP CC1CC[NH+](Cc2cccc(CNC(=O)NC/C=C/C[NH3+])c2)CC1 ZINC000669455526 471504653 /nfs/dbraw/zinc/50/46/53/471504653.db2.gz QLZIQXCZXBEFKF-NSCUHMNNSA-N 2 0 330.476 2.233 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+](C)C ZINC000655927860 471544376 /nfs/dbraw/zinc/54/43/76/471544376.db2.gz IWDUORXHBLMFLD-UBHSHLNASA-N 2 0 346.397 2.175 10 0 EEAERP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661004341 471583977 /nfs/dbraw/zinc/58/39/77/471583977.db2.gz RKXCRXXIFRBEBJ-APWZRJJASA-N 2 0 344.503 2.100 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000659428636 471621541 /nfs/dbraw/zinc/62/15/41/471621541.db2.gz DCDHUXGBHDMEJS-GOSISDBHSA-N 2 0 332.492 2.455 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)Cc1ccccc1 ZINC000659435648 471626981 /nfs/dbraw/zinc/62/69/81/471626981.db2.gz ZLMZROGZRPOODE-QPIRBTGLSA-N 2 0 344.503 2.072 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000659472903 471646382 /nfs/dbraw/zinc/64/63/82/471646382.db2.gz QZIDVWSBZKBFCP-CRAIPNDOSA-N 2 0 347.507 2.280 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000659491846 471654064 /nfs/dbraw/zinc/65/40/64/471654064.db2.gz DMLIRQUKLIDSKC-DZUCGIPZSA-N 2 0 336.455 2.067 10 0 EEAERP O=C(NCC12CC(C1)C[NH2+]2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000659617323 471700831 /nfs/dbraw/zinc/70/08/31/471700831.db2.gz PCVSKWPQYOOLOS-UHFFFAOYSA-N 2 0 334.508 2.036 10 0 EEAERP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000667252235 471710803 /nfs/dbraw/zinc/71/08/03/471710803.db2.gz CYJPNJHGIKUZRF-WBVHZDCISA-N 2 0 341.459 2.397 10 0 EEAERP [NH3+][C@@H](c1cn(C2CC[NH2+]CC2)nn1)c1ccc(Br)cc1 ZINC000656457394 471723030 /nfs/dbraw/zinc/72/30/30/471723030.db2.gz WAEZTDBLFMPTDN-CQSZACIVSA-N 2 0 336.237 2.013 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000664478079 471764022 /nfs/dbraw/zinc/76/40/22/471764022.db2.gz DRHRMFILDBELJV-SFHVURJKSA-N 2 0 348.491 2.323 10 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ZINC000662254281 472044052 /nfs/dbraw/zinc/04/40/52/472044052.db2.gz OXIPUJUMYIHWQD-QZTJIDSGSA-N 2 0 334.435 2.328 10 0 EEAERP OCCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCc2ccccc21 ZINC000662256853 472044347 /nfs/dbraw/zinc/04/43/47/472044347.db2.gz LPXGCFQVGDHWAW-IEBWSBKVSA-N 2 0 330.472 2.269 10 0 EEAERP c1ccc(CCCO[C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662259590 472046500 /nfs/dbraw/zinc/04/65/00/472046500.db2.gz ZAUCOWYJLYQOIN-OALUTQOASA-N 2 0 330.472 2.231 10 0 EEAERP C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[N@H+](C)Cc1ccccc1 ZINC000662730303 472226624 /nfs/dbraw/zinc/22/66/24/472226624.db2.gz BUMKQHPADFLHGJ-CYBMUJFWSA-N 2 0 330.432 2.119 10 0 EEAERP CCOc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)ccc1C ZINC000665957973 472251410 /nfs/dbraw/zinc/25/14/10/472251410.db2.gz GDOXEQXQBMAGJN-UHFFFAOYSA-N 2 0 336.480 2.399 10 0 EEAERP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@]2(CCOC2)O1 ZINC000684428693 485880633 /nfs/dbraw/zinc/88/06/33/485880633.db2.gz CWYJNQSEHAGYCK-ICSRJNTNSA-N 2 0 348.487 2.397 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000680842672 486063309 /nfs/dbraw/zinc/06/33/09/486063309.db2.gz GSMZZFGAMLLHOE-UHFFFAOYSA-N 2 0 330.476 2.242 10 0 EEAERP CCN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211797 486173254 /nfs/dbraw/zinc/17/32/54/486173254.db2.gz ZONBITLQEGVYGY-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP CC(=O)c1ccccc1OCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631333 527402059 /nfs/dbraw/zinc/40/20/59/527402059.db2.gz CHMMUCTVHDKNQJ-MRXNPFEDSA-N 2 0 348.487 2.293 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415937332 528185608 /nfs/dbraw/zinc/18/56/08/528185608.db2.gz NDBTWCOKIBALSC-UHFFFAOYSA-N 2 0 334.464 2.268 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000415951719 528355534 /nfs/dbraw/zinc/35/55/34/528355534.db2.gz IWIIFODEEWBGED-INIZCTEOSA-N 2 0 334.464 2.028 10 0 EEAERP OC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H]1CCCOC1 ZINC000894994765 683455417 /nfs/dbraw/zinc/45/54/17/683455417.db2.gz VAAYEMAGOXFZIN-ZPAWYTMASA-N 2 0 344.499 2.417 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000914410947 683567849 /nfs/dbraw/zinc/56/78/49/683567849.db2.gz CHKYKBRXWPJTTJ-DOTOQJQBSA-N 2 0 335.496 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000915252959 684066556 /nfs/dbraw/zinc/06/65/56/684066556.db2.gz UPAKHKZPHUAIBU-SJORKVTESA-N 2 0 330.476 2.241 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC000897437186 690467210 /nfs/dbraw/zinc/46/72/10/690467210.db2.gz ICDWDQZKQSKPCG-CTNGQTDRSA-N 2 0 341.499 2.499 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904471602 694403966 /nfs/dbraw/zinc/40/39/66/694403966.db2.gz JUCDRKLBEPJMSJ-DKUMNJIPSA-N 3 0 327.472 2.363 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[N@@H+]1C ZINC000925324592 692205467 /nfs/dbraw/zinc/20/54/67/692205467.db2.gz VRECROVXZIXYOD-KZNAEPCWSA-N 2 0 336.524 2.377 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)s2)C1)[NH+](C)C ZINC001485695430 1191903147 /nfs/dbraw/zinc/90/31/47/1191903147.db2.gz HNXWYKOCBAJHMJ-SRVKXCTJSA-N 2 0 344.912 2.121 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485732337 1191922237 /nfs/dbraw/zinc/92/22/37/1191922237.db2.gz FYOWEZGVGSLUJG-CQSZACIVSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001266632721 1177029539 /nfs/dbraw/zinc/02/95/39/1177029539.db2.gz OOVOUVOYSKIRCK-LNLFQRSKSA-N 2 0 347.503 2.259 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1 ZINC001266854278 1177572706 /nfs/dbraw/zinc/57/27/06/1177572706.db2.gz IDGFZTSTSYRLGJ-OAHLLOKOSA-N 2 0 331.451 2.343 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266868393 1177635457 /nfs/dbraw/zinc/63/54/57/1177635457.db2.gz WCNWXXAWIUTIDE-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001266936012 1177844847 /nfs/dbraw/zinc/84/48/47/1177844847.db2.gz OSYMHSKEPXNXQP-UHFFFAOYSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001266940242 1177855417 /nfs/dbraw/zinc/85/54/17/1177855417.db2.gz YWJSFCCASCMSAE-ZFWWWQNUSA-N 2 0 338.883 2.202 10 0 EEAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691319753 1177905050 /nfs/dbraw/zinc/90/50/50/1177905050.db2.gz UFTZMOZQJZHKQE-HMZQOCAUSA-N 2 0 327.900 2.442 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+]1CCCCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001267267068 1178643979 /nfs/dbraw/zinc/64/39/79/1178643979.db2.gz LCNZOMGRADISFA-DLBZAZTESA-N 2 0 325.472 2.049 10 0 EEAERP COc1ccccc1CCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001691458677 1178868552 /nfs/dbraw/zinc/86/85/52/1178868552.db2.gz AOBIORISCMUGBK-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001267374733 1178895701 /nfs/dbraw/zinc/89/57/01/1178895701.db2.gz JOMOIUYTQHGLTN-RHSMWYFYSA-N 2 0 337.895 2.271 10 0 EEAERP CN(CC[NH2+]Cc1cc(C2CC2)no1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001267428994 1178996431 /nfs/dbraw/zinc/99/64/31/1178996431.db2.gz KCBHQNGNWMQOKO-UHFFFAOYSA-N 2 0 336.480 2.078 10 0 EEAERP CN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267439340 1179012656 /nfs/dbraw/zinc/01/26/56/1179012656.db2.gz CYPUMSDKHQGANT-WBVHZDCISA-N 2 0 335.517 2.356 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(COC)cc1 ZINC001267473182 1179103519 /nfs/dbraw/zinc/10/35/19/1179103519.db2.gz CGAVVHUYOZPPFF-IBGZPJMESA-N 2 0 347.503 2.255 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC001480951740 1179124968 /nfs/dbraw/zinc/12/49/68/1179124968.db2.gz LLLSLMMLMKYRGM-UHFFFAOYSA-N 2 0 329.847 2.367 10 0 EEAERP O=C(NCC[C@H]1CC[N@@H+](CCCCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001267531014 1179279221 /nfs/dbraw/zinc/27/92/21/1179279221.db2.gz JWNFOGTZJPHKLL-FUHWJXTLSA-N 2 0 339.499 2.296 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)cc1C ZINC001481071542 1179680797 /nfs/dbraw/zinc/68/07/97/1179680797.db2.gz RPTXBUADYWXFGQ-SFHVURJKSA-N 2 0 347.503 2.424 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc(F)cc(F)c1 ZINC001481154580 1179940050 /nfs/dbraw/zinc/94/00/50/1179940050.db2.gz UKNARGVQYFJHCX-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP Cc1ccc(C[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001481194802 1180062922 /nfs/dbraw/zinc/06/29/22/1180062922.db2.gz VFIQURRUZICRDI-KRWDZBQOSA-N 2 0 344.503 2.121 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267670704 1180132580 /nfs/dbraw/zinc/13/25/80/1180132580.db2.gz OXVNDXPLLLQTEC-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCF)[C@@H](C)C2)CC1 ZINC001496361072 1180534511 /nfs/dbraw/zinc/53/45/11/1180534511.db2.gz NPFQELWDOYXFEM-RDJZCZTQSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001267829689 1180597224 /nfs/dbraw/zinc/59/72/24/1180597224.db2.gz ZHWNOEAJNMFKLC-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001267933381 1180785153 /nfs/dbraw/zinc/78/51/53/1180785153.db2.gz HKJQCPGTALOFLK-QAQDUYKDSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001267970837 1180876652 /nfs/dbraw/zinc/87/66/52/1180876652.db2.gz OTXDPMUJYYOMEC-RTBURBONSA-N 2 0 329.488 2.070 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001268046603 1181535767 /nfs/dbraw/zinc/53/57/67/1181535767.db2.gz RCIBJQJUSXKJMF-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)[C@@H](C)c2ncccn2)CC1 ZINC001481521749 1181636451 /nfs/dbraw/zinc/63/64/51/1181636451.db2.gz PPJFBXMZTBROPP-INIZCTEOSA-N 2 0 347.507 2.048 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268175409 1181954124 /nfs/dbraw/zinc/95/41/24/1181954124.db2.gz DUFSRWIJGGYJBK-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379484 1182404107 /nfs/dbraw/zinc/40/41/07/1182404107.db2.gz RRRUDHLIENUEFF-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732380 1182412673 /nfs/dbraw/zinc/41/26/73/1182412673.db2.gz MYSIKOHEGLBKND-DOTOQJQBSA-N 2 0 339.524 2.207 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1scnc1C ZINC001268425711 1182593636 /nfs/dbraw/zinc/59/36/36/1182593636.db2.gz HADOLAGNNLQQRB-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001481855558 1182815945 /nfs/dbraw/zinc/81/59/45/1182815945.db2.gz MHNMDFGJLBDVIU-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001481878043 1182874624 /nfs/dbraw/zinc/87/46/24/1182874624.db2.gz HVACZUAGZGOTHI-KBXCAEBGSA-N 2 0 333.451 2.393 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)s1 ZINC001481905209 1182919026 /nfs/dbraw/zinc/91/90/26/1182919026.db2.gz LWZVXIMQZCFOQO-UHFFFAOYSA-N 2 0 338.521 2.230 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCCCCF)CC2)C1 ZINC001482008499 1183131948 /nfs/dbraw/zinc/13/19/48/1183131948.db2.gz VUMXHKHSYHCWSD-KRWDZBQOSA-N 2 0 327.488 2.296 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001482019121 1183143297 /nfs/dbraw/zinc/14/32/97/1183143297.db2.gz YLUJAYQFFJTPGO-XLAORIBOSA-N 2 0 337.508 2.057 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001268520352 1183168965 /nfs/dbraw/zinc/16/89/65/1183168965.db2.gz CCXUJLPNAZIHPX-UUSRSUCLSA-N 2 0 341.499 2.148 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001482033624 1183179058 /nfs/dbraw/zinc/17/90/58/1183179058.db2.gz MEYBXKSGYFCXML-OALUTQOASA-N 2 0 345.487 2.056 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001482042694 1183213708 /nfs/dbraw/zinc/21/37/08/1183213708.db2.gz CMACHZHPECKMPG-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1oncc1C[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482049564 1183234560 /nfs/dbraw/zinc/23/45/60/1183234560.db2.gz FUJKNGMFSYUILC-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001482134235 1183383401 /nfs/dbraw/zinc/38/34/01/1183383401.db2.gz AFYHNSGPJMRLEG-ULQDDVLXSA-N 2 0 349.523 2.036 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268587321 1183384317 /nfs/dbraw/zinc/38/43/17/1183384317.db2.gz IQYUQPFMFILCKK-XITLMJRVSA-N 2 0 338.521 2.108 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCCc2ccccc2Cl)C1 ZINC001268626144 1183544573 /nfs/dbraw/zinc/54/45/73/1183544573.db2.gz MYCNLKLPYPULBO-LAQIPUCWSA-N 2 0 349.906 2.486 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C/CNCc2cscn2)c1 ZINC001268629652 1183554063 /nfs/dbraw/zinc/55/40/63/1183554063.db2.gz YHXVIKHJAVDZIK-ONEGZZNKSA-N 2 0 344.484 2.281 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268698332 1183622944 /nfs/dbraw/zinc/62/29/44/1183622944.db2.gz PTKKGMKMCIOJIR-HNNXBMFYSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001268846957 1183763335 /nfs/dbraw/zinc/76/33/35/1183763335.db2.gz BEQHFRNOFNYROX-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]CC[C@H]1CCCO1)[NH+]1CCCCCC1 ZINC001268868583 1183777240 /nfs/dbraw/zinc/77/72/40/1183777240.db2.gz IJNSWALSVSDJQO-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001269424249 1184256345 /nfs/dbraw/zinc/25/63/45/1184256345.db2.gz DFBBPFZRCFRIMN-UONOGXRCSA-N 2 0 326.872 2.060 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CC[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001269877479 1184688003 /nfs/dbraw/zinc/68/80/03/1184688003.db2.gz MOINWVBOAGQJMH-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CCC(CC[NH2+]Cc2ccon2)CC1)C12CCC[NH+]1CCC2 ZINC001269877767 1184688996 /nfs/dbraw/zinc/68/89/96/1184688996.db2.gz SSPMPYRMFBOUEI-UHFFFAOYSA-N 2 0 346.475 2.021 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270024694 1184793527 /nfs/dbraw/zinc/79/35/27/1184793527.db2.gz HRUZMOXCBPRZMG-TVFCKZIOSA-N 2 0 337.508 2.057 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001270434593 1185096480 /nfs/dbraw/zinc/09/64/80/1185096480.db2.gz ZERRNMPFFHPJGQ-SZMVWBNQSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001270823827 1185428970 /nfs/dbraw/zinc/42/89/70/1185428970.db2.gz QGJAYFJBJCOXFA-OAHLLOKOSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364538 1185519408 /nfs/dbraw/zinc/51/94/08/1185519408.db2.gz LJBKXNOKVTULBL-CQSZACIVSA-N 2 0 336.480 2.139 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482448008 1185789205 /nfs/dbraw/zinc/78/92/05/1185789205.db2.gz FZCOKAPXWFBIDB-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]C/C=C/Cl)CC1 ZINC001482456748 1185878057 /nfs/dbraw/zinc/87/80/57/1185878057.db2.gz SWUZIHFRFWIOAY-RNOHYWCBSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001482462912 1185933906 /nfs/dbraw/zinc/93/39/06/1185933906.db2.gz WJLIFTNTEZAUSV-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482479678 1186054907 /nfs/dbraw/zinc/05/49/07/1186054907.db2.gz CZYGSMUZDWRHOH-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CCF ZINC001271650525 1186359665 /nfs/dbraw/zinc/35/96/65/1186359665.db2.gz XCQWCUIPJGDYKF-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272781718 1193496115 /nfs/dbraw/zinc/49/61/15/1193496115.db2.gz IIHYLHUINZZPBF-AWEZNQCLSA-N 2 0 338.521 2.392 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001482832512 1187752169 /nfs/dbraw/zinc/75/21/69/1187752169.db2.gz FQRDRQIMWNGWDA-CWRNSKLLSA-N 2 0 348.491 2.267 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CCC2CCOCC2)CC[N@@H+]1C ZINC001482834198 1187753795 /nfs/dbraw/zinc/75/37/95/1187753795.db2.gz NNOWCEGBJQRGSS-BPQIPLTHSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)sc1C ZINC001482845090 1187764734 /nfs/dbraw/zinc/76/47/34/1187764734.db2.gz CIOVLSYSRNSVKT-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899705 1187812296 /nfs/dbraw/zinc/81/22/96/1187812296.db2.gz UWZWNKXOWZYHSG-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001483010049 1187993404 /nfs/dbraw/zinc/99/34/04/1187993404.db2.gz YWMNTTCTDUDJRL-XPQDNOAISA-N 2 0 346.475 2.044 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCC1CCOCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001483022925 1188012339 /nfs/dbraw/zinc/01/23/39/1188012339.db2.gz IODHTFRCUHPSDR-GDIRUBCPSA-N 2 0 349.519 2.082 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483050694 1188293854 /nfs/dbraw/zinc/29/38/54/1188293854.db2.gz JZUUYYSRNGAJOX-LAQIPUCWSA-N 2 0 325.472 2.405 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001483060553 1188354819 /nfs/dbraw/zinc/35/48/19/1188354819.db2.gz MIGPJXWNEPCNAQ-WIJVFFIESA-N 2 0 333.451 2.415 10 0 EEAERP O=C(NC/C=C\C[NH2+]C/C=C\c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483083718 1188444619 /nfs/dbraw/zinc/44/46/19/1188444619.db2.gz OTCSEYKVNGUWMZ-WXOLFVLTSA-N 2 0 325.456 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001483086009 1188449616 /nfs/dbraw/zinc/44/96/16/1188449616.db2.gz HBUQJAAAAGWOPY-SHCNBLLESA-N 2 0 333.451 2.417 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483162352 1188985476 /nfs/dbraw/zinc/98/54/76/1188985476.db2.gz DJSUGWZNOAPEPJ-QGZVFWFLSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC001483228127 1189532223 /nfs/dbraw/zinc/53/22/23/1189532223.db2.gz JAFBXSVAVBLWEN-WCFLWFBJSA-N 2 0 344.912 2.121 10 0 EEAERP Cc1oc(-c2ccco2)nc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409397195 1189621729 /nfs/dbraw/zinc/62/17/29/1189621729.db2.gz KMZAWJDLPDTWLY-OLZOCXBDSA-N 2 0 348.447 2.178 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001409414324 1189645282 /nfs/dbraw/zinc/64/52/82/1189645282.db2.gz RXQVGSMODMSJHW-LSDHHAIUSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccns2)CC1 ZINC001409449549 1189697578 /nfs/dbraw/zinc/69/75/78/1189697578.db2.gz LSDCKSUMLBSWHP-UHFFFAOYSA-N 2 0 338.521 2.343 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409465309 1189756632 /nfs/dbraw/zinc/75/66/32/1189756632.db2.gz JZGRWGIHEHCZGC-CHWSQXEVSA-N 2 0 327.419 2.288 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cncc(C)c2)C1 ZINC001485914344 1193638478 /nfs/dbraw/zinc/63/84/78/1193638478.db2.gz YHRCTBAZWGAGPD-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)s1 ZINC001483382284 1190427232 /nfs/dbraw/zinc/42/72/32/1190427232.db2.gz BAIMDIRICBKLGD-CHWSQXEVSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001483504895 1190518589 /nfs/dbraw/zinc/51/85/89/1190518589.db2.gz IVHRDSOPRDNBKO-CABCVRRESA-N 2 0 333.467 2.446 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001483605346 1190583967 /nfs/dbraw/zinc/58/39/67/1190583967.db2.gz IZVVQOGCDGCBFJ-RDJZCZTQSA-N 2 0 335.879 2.276 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001272456336 1190831111 /nfs/dbraw/zinc/83/11/11/1190831111.db2.gz FFXJIRYNMARGQE-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001272477361 1190842391 /nfs/dbraw/zinc/84/23/91/1190842391.db2.gz WPRPKRSEPZWQEE-QWHCGFSZSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)no1 ZINC001272651325 1190960643 /nfs/dbraw/zinc/96/06/43/1190960643.db2.gz DLSPKKOCANGCMX-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001483790587 1191031212 /nfs/dbraw/zinc/03/12/12/1191031212.db2.gz JKZLOTXPXGOZNC-ONNFQVAWSA-N 2 0 327.472 2.424 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@]3(CCN(C(=O)C[N@@H+](C)C(C)C)C3)C2)on1 ZINC001483832607 1191069411 /nfs/dbraw/zinc/06/94/11/1191069411.db2.gz KZXRZSFJGMCUTL-IBGZPJMESA-N 2 0 348.491 2.138 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847395 1191082664 /nfs/dbraw/zinc/08/26/64/1191082664.db2.gz LZTLDJNSEVYCIW-MJGOQNOKSA-N 2 0 339.499 2.392 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001484160081 1191248512 /nfs/dbraw/zinc/24/85/12/1191248512.db2.gz BQADFGAOFKEJHW-SUMDDJOVSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001484388624 1191328515 /nfs/dbraw/zinc/32/85/15/1191328515.db2.gz FJVLPVIWRIGYIR-NQNKBUKLSA-N 2 0 327.488 2.434 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001484692767 1191469046 /nfs/dbraw/zinc/46/90/46/1191469046.db2.gz NIMRFAYXRMJEHP-OALUTQOASA-N 2 0 347.503 2.124 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001484716534 1191480800 /nfs/dbraw/zinc/48/08/00/1191480800.db2.gz LXYVRKHMRSLUFN-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[NH2+]C1(CC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484810612 1191532600 /nfs/dbraw/zinc/53/26/00/1191532600.db2.gz DJUHFVMHFYLJNU-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484830204 1191537980 /nfs/dbraw/zinc/53/79/80/1191537980.db2.gz LEIXKFOMYXCBDD-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCC1CCOCC1 ZINC001485179777 1191679041 /nfs/dbraw/zinc/67/90/41/1191679041.db2.gz JKEXFUHYVFGIJS-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP COCc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485186894 1191684965 /nfs/dbraw/zinc/68/49/65/1191684965.db2.gz IKKYUEXHNDDUOB-CVEARBPZSA-N 2 0 347.503 2.158 10 0 EEAERP CN(CC(C)(C)C[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CC[NH+](C)C ZINC001485258933 1191714008 /nfs/dbraw/zinc/71/40/08/1191714008.db2.gz HAMUXZIOQASQPI-CQSZACIVSA-N 2 0 333.467 2.448 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccnc(Cl)c1 ZINC001485350802 1191750880 /nfs/dbraw/zinc/75/08/80/1191750880.db2.gz QCIXJSBAMBKYQB-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C/C=C/c1ccccc1 ZINC001485373133 1191770321 /nfs/dbraw/zinc/77/03/21/1191770321.db2.gz KTYCZNADEVXWAT-FFRPFHMCSA-N 2 0 329.488 2.478 10 0 EEAERP O=C(Cn1ccnc1)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001486167446 1193709515 /nfs/dbraw/zinc/70/95/15/1193709515.db2.gz PXPRWWNHYGIUME-MJBXVCDLSA-N 2 0 344.381 2.052 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](NC(=O)Cn2cncc2C)C(C)(C)C)n1 ZINC001486405949 1193930018 /nfs/dbraw/zinc/93/00/18/1193930018.db2.gz RLLSCCDTBICRAK-AWEZNQCLSA-N 2 0 349.504 2.277 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC001486446803 1193961908 /nfs/dbraw/zinc/96/19/08/1193961908.db2.gz AGOFTXZBHYNMCM-RLFYNMQTSA-N 2 0 347.507 2.095 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001486453336 1193974964 /nfs/dbraw/zinc/97/49/64/1193974964.db2.gz YESYYVZDMCPNFB-VCUMLDNESA-N 2 0 341.805 2.060 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018464 1194325475 /nfs/dbraw/zinc/32/54/75/1194325475.db2.gz KPGAMJUUQWAWME-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001273053104 1194357460 /nfs/dbraw/zinc/35/74/60/1194357460.db2.gz TXXPKNJIQHSUGE-YOEHRIQHSA-N 2 0 336.480 2.230 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001273122950 1194405192 /nfs/dbraw/zinc/40/51/92/1194405192.db2.gz KJDKTKXDAYQYLI-WBMJQRKESA-N 2 0 327.419 2.289 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785476409 1196423267 /nfs/dbraw/zinc/42/32/67/1196423267.db2.gz CVTFYYSDJXAAEJ-UHFFFAOYSA-N 2 0 329.286 2.394 10 0 EEAERP Cn1cncc1CCC(=O)N[C@H]1C[N@H+](CC2CCCC2)CC1(C)C ZINC001410024339 1197434787 /nfs/dbraw/zinc/43/47/87/1197434787.db2.gz QFLVZXPILMFYRH-KRWDZBQOSA-N 2 0 332.492 2.370 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001410194593 1197596984 /nfs/dbraw/zinc/59/69/84/1197596984.db2.gz UCGDMBUDUVVZQI-GUDVDZBRSA-N 2 0 344.503 2.140 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC001410197259 1197597747 /nfs/dbraw/zinc/59/77/47/1197597747.db2.gz WQKHAGVVATZOQP-HRCADAONSA-N 2 0 343.462 2.200 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1F ZINC001410234990 1197623629 /nfs/dbraw/zinc/62/36/29/1197623629.db2.gz XGSXCKFWQIIQIW-QAQDUYKDSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)o1 ZINC001410282410 1197658638 /nfs/dbraw/zinc/65/86/38/1197658638.db2.gz PJUUVYGTJDPDES-HZPDHXFCSA-N 2 0 336.480 2.260 10 0 EEAERP CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872034736 1198032450 /nfs/dbraw/zinc/03/24/50/1198032450.db2.gz IRWRQPRXALOCNH-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001410499293 1198052269 /nfs/dbraw/zinc/05/22/69/1198052269.db2.gz CVUBPZCTNYOIET-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000872144288 1198054620 /nfs/dbraw/zinc/05/46/20/1198054620.db2.gz FPPSXICKMOBJAL-RTBURBONSA-N 2 0 346.471 2.500 10 0 EEAERP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152063 1198059697 /nfs/dbraw/zinc/05/96/97/1198059697.db2.gz KNSTXMYVKBCVSH-YVEFUNNKSA-N 2 0 337.851 2.219 10 0 EEAERP Cc1csc2ncnc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c12 ZINC000866010181 1198453523 /nfs/dbraw/zinc/45/35/23/1198453523.db2.gz GWTDAXJUBBAUJN-ZIAGYGMSSA-N 2 0 333.505 2.175 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)s2)CCN1C(=O)CC[NH+](C)C ZINC001410859180 1198503251 /nfs/dbraw/zinc/50/32/51/1198503251.db2.gz QOQQGTUTPULRLZ-WCQYABFASA-N 2 0 329.897 2.432 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001410930241 1198594855 /nfs/dbraw/zinc/59/48/55/1198594855.db2.gz XBUILBJLXKOYRM-YESZJQIVSA-N 2 0 325.472 2.049 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949416 1198614956 /nfs/dbraw/zinc/61/49/56/1198614956.db2.gz IKPBANUJWHWVGX-KGLIPLIRSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949335 1198616583 /nfs/dbraw/zinc/61/65/83/1198616583.db2.gz FSVPGAAPABIHLF-SJLPKXTDSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001411213037 1198921793 /nfs/dbraw/zinc/92/17/93/1198921793.db2.gz CEEYHMVVHGYIJC-JKSUJKDBSA-N 2 0 338.496 2.190 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](Cc2cnoc2C)CC1)[NH+](C)C ZINC001411239686 1198955943 /nfs/dbraw/zinc/95/59/43/1198955943.db2.gz STUNNSRQONMVNI-DYVFJYSZSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)CCc3c[nH]cn3)CC2)CC1 ZINC001411251517 1198973715 /nfs/dbraw/zinc/97/37/15/1198973715.db2.gz JYYHJRVDDRTPNC-CQSZACIVSA-N 2 0 336.455 2.451 10 0 EEAERP C/C(=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023417 1200412808 /nfs/dbraw/zinc/41/28/08/1200412808.db2.gz XPDBCLHRIWCOSH-KJMPDUOLSA-N 2 0 329.488 2.288 10 0 EEAERP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886639828 1202538668 /nfs/dbraw/zinc/53/86/68/1202538668.db2.gz MMTSSSDLPKZXCY-YRPNKDGESA-N 2 0 327.472 2.250 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC001274090311 1204367004 /nfs/dbraw/zinc/36/70/04/1204367004.db2.gz ZAKGWYPEPFZDSG-ARJAWSKDSA-N 2 0 340.471 2.414 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCCCF ZINC001274644869 1205113198 /nfs/dbraw/zinc/11/31/98/1205113198.db2.gz SNRNYIDQMIDLEQ-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001412401743 1205715995 /nfs/dbraw/zinc/71/59/95/1205715995.db2.gz QGTOCCOQNCTTGO-NZSAHSFTSA-N 2 0 347.478 2.289 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001276226449 1205843576 /nfs/dbraw/zinc/84/35/76/1205843576.db2.gz GLWGQOACBIQAHR-ZDUSSCGKSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)CC1 ZINC000925041385 1206064450 /nfs/dbraw/zinc/06/44/50/1206064450.db2.gz NZDHDJDETDURTK-CXAGYDPISA-N 2 0 334.895 2.480 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccns1 ZINC000925441570 1206112305 /nfs/dbraw/zinc/11/23/05/1206112305.db2.gz RSFJOUOTOBZFLI-CYBMUJFWSA-N 2 0 332.473 2.285 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925488717 1206118621 /nfs/dbraw/zinc/11/86/21/1206118621.db2.gz FNYMYQWUTSLKPX-HOJAQTOUSA-N 3 0 336.568 2.018 10 0 EEAERP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)nc2)C1 ZINC000925634651 1206138248 /nfs/dbraw/zinc/13/82/48/1206138248.db2.gz PEVAZFRGMPYALJ-OGWHTMIXSA-N 2 0 343.519 2.410 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)ccn1 ZINC000925655055 1206140805 /nfs/dbraw/zinc/14/08/05/1206140805.db2.gz UGRVEWTXMXYDBA-MJGOQNOKSA-N 2 0 333.476 2.317 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925659082 1206141163 /nfs/dbraw/zinc/14/11/63/1206141163.db2.gz AQVCYDXNCWHOET-MJBXVCDLSA-N 2 0 325.250 2.342 10 0 EEAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)[NH2+]2 ZINC000925735082 1206147573 /nfs/dbraw/zinc/14/75/73/1206147573.db2.gz SGOTXOKTCIVFCR-RUGNVHPYSA-N 2 0 334.485 2.110 10 0 EEAERP CN1C(=O)C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925779849 1206153692 /nfs/dbraw/zinc/15/36/92/1206153692.db2.gz MZUHNQSPTCLHDD-LJIGWXMPSA-N 2 0 335.398 2.096 10 0 EEAERP COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1OC ZINC000925810301 1206156333 /nfs/dbraw/zinc/15/63/33/1206156333.db2.gz DUJKVQSMYKMWHD-CABCVRRESA-N 2 0 335.492 2.209 10 0 EEAERP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)CC3 ZINC000925810787 1206156462 /nfs/dbraw/zinc/15/64/62/1206156462.db2.gz GCCFSKUDCAPLGA-INIZCTEOSA-N 2 0 326.488 2.346 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000925813189 1206156861 /nfs/dbraw/zinc/15/68/61/1206156861.db2.gz SENDWGQNIVTTDY-LJQANCHMSA-N 2 0 339.487 2.262 10 0 EEAERP O=C1O[C@H](C[NH2+]C2CCc3ccccc3CC2)CC12CC[NH2+]CC2 ZINC000925849849 1206160390 /nfs/dbraw/zinc/16/03/90/1206160390.db2.gz QVRPPIRYVGAKIJ-SFHVURJKSA-N 2 0 328.456 2.209 10 0 EEAERP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849544 1206160428 /nfs/dbraw/zinc/16/04/28/1206160428.db2.gz PMBGCXUYNOYOTL-RDJZCZTQSA-N 2 0 331.460 2.068 10 0 EEAERP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854256 1206161478 /nfs/dbraw/zinc/16/14/78/1206161478.db2.gz MKIOCXRSZMEFOW-SJLPKXTDSA-N 2 0 344.455 2.348 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000926543114 1206226738 /nfs/dbraw/zinc/22/67/38/1206226738.db2.gz PZDOZUGLWPFWOG-GBGWRMMESA-N 2 0 332.492 2.310 10 0 EEAERP O[C@H](CC[C@H](O)c1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929834728 1206506637 /nfs/dbraw/zinc/50/66/37/1206506637.db2.gz KHHLFVXREPYGQM-UXHICEINSA-N 2 0 341.455 2.078 10 0 EEAERP CCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)OC1=O ZINC000690619527 1206554032 /nfs/dbraw/zinc/55/40/32/1206554032.db2.gz BVLPAYMOEOSIEH-RYQLBKOJSA-N 2 0 331.460 2.327 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)N[C@@H]3CCCc4ccccc43)C[C@]2(C)C1 ZINC000933742260 1207831444 /nfs/dbraw/zinc/83/14/44/1207831444.db2.gz GCWYRKWQAUUONC-QFUCXCTJSA-N 2 0 341.499 2.454 10 0 EEAERP CC1(C)COC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717914463 1211517371 /nfs/dbraw/zinc/51/73/71/1211517371.db2.gz FOQCPMPEQIZTHZ-GOSISDBHSA-N 2 0 332.488 2.418 10 0 EEAERP OC1(CC[NH2+]C[C@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717997142 1211685291 /nfs/dbraw/zinc/68/52/91/1211685291.db2.gz RJXXFSAZOICQLD-LJQANCHMSA-N 2 0 332.488 2.420 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nc(C3CC3)nc3c2CCC3)C[C@H]1C[NH+](C)C ZINC001412893941 1216070570 /nfs/dbraw/zinc/07/05/70/1216070570.db2.gz QPRQJSVVZKOEAG-HZPDHXFCSA-N 2 0 343.519 2.018 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000902789383 1238535481 /nfs/dbraw/zinc/53/54/81/1238535481.db2.gz GPHXOEREHXRORZ-HOJAQTOUSA-N 2 0 337.552 2.445 10 0 EEAERP CC(C)C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000902981919 1239261188 /nfs/dbraw/zinc/26/11/88/1239261188.db2.gz SHDZXQKIYBUKGI-GOSISDBHSA-N 2 0 325.541 2.443 10 0 EEAERP CCOC(=O)c1sc([C@@H]2CC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)nc1C ZINC000903482658 1240614362 /nfs/dbraw/zinc/61/43/62/1240614362.db2.gz OGPSPPCWDAMPIB-BNOWGMLFSA-N 2 0 337.489 2.273 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000903495279 1240666518 /nfs/dbraw/zinc/66/65/18/1240666518.db2.gz YKLUAAKVOFEABW-LJCCNALRSA-N 2 0 328.456 2.319 10 0 EEAERP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903497067 1240677109 /nfs/dbraw/zinc/67/71/09/1240677109.db2.gz OXNSKOYGHCYRHX-NVXWUHKLSA-N 2 0 333.476 2.007 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379571 1241114327 /nfs/dbraw/zinc/11/43/27/1241114327.db2.gz JZBPMRZPSVQXOQ-RDTXWAMCSA-N 2 0 333.451 2.203 10 0 EEAERP c1ccc(C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)cc1 ZINC000903722162 1241719500 /nfs/dbraw/zinc/71/95/00/1241719500.db2.gz IATADEXWXBIJJD-XUVXKRRUSA-N 2 0 330.472 2.436 10 0 EEAERP COc1ccc2c(c1)CCC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903891351 1242353371 /nfs/dbraw/zinc/35/33/71/1242353371.db2.gz LZBSMMLWGTWQDD-INIZCTEOSA-N 2 0 342.487 2.303 10 0 EEAERP COc1ccccc1CC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903898055 1242387293 /nfs/dbraw/zinc/38/72/93/1242387293.db2.gz HOTKPZAZWJYFSW-MRXNPFEDSA-N 2 0 343.475 2.322 10 0 EEAERP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921889 1242511484 /nfs/dbraw/zinc/51/14/84/1242511484.db2.gz SDLCOOXMQNRDGJ-KSSFIOAISA-N 2 0 328.460 2.132 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000903922758 1242514526 /nfs/dbraw/zinc/51/45/26/1242514526.db2.gz DLBRTMFXEVUQEE-FUHWJXTLSA-N 2 0 328.464 2.127 10 0 EEAERP CC(C)(CO)[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903927412 1242529611 /nfs/dbraw/zinc/52/96/11/1242529611.db2.gz RLCNGTOAELZLDE-SJLPKXTDSA-N 2 0 343.475 2.052 10 0 EEAERP C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903930025 1242543469 /nfs/dbraw/zinc/54/34/69/1242543469.db2.gz QIGSIBDGQFUBKN-YOEHRIQHSA-N 2 0 331.439 2.405 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC3(CCSCC3)CC2)cnn1C ZINC000903934425 1242564984 /nfs/dbraw/zinc/56/49/84/1242564984.db2.gz GVPQICQSGJRQQD-MRXNPFEDSA-N 2 0 336.549 2.455 10 0 EEAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001490921864 1258488941 /nfs/dbraw/zinc/48/89/41/1258488941.db2.gz FOHBZUQXAANEIS-BQFCYCMXSA-N 2 0 337.508 2.057 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001491081237 1258647060 /nfs/dbraw/zinc/64/70/60/1258647060.db2.gz ZRGDOIWAHAVBCM-HDICACEKSA-N 2 0 333.451 2.439 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001491109034 1258696476 /nfs/dbraw/zinc/69/64/76/1258696476.db2.gz XQOOFPCUYQNHIQ-FUHWJXTLSA-N 2 0 339.499 2.296 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CC(F)(F)C2)C1 ZINC001491220110 1258800322 /nfs/dbraw/zinc/80/03/22/1258800322.db2.gz AORFVWXAABNNMG-HOCLYGCPSA-N 2 0 343.462 2.344 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491456962 1259101501 /nfs/dbraw/zinc/10/15/01/1259101501.db2.gz LSGHQZDVTFMTKJ-OXQOHEQNSA-N 2 0 343.515 2.228 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001272774380 1277941493 /nfs/dbraw/zinc/94/14/93/1277941493.db2.gz UYGFHYAWEZPPAV-CZUORRHYSA-N 2 0 338.521 2.309 10 0 EEAERP CCOC(=O)CCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001198612740 1285251395 /nfs/dbraw/zinc/25/13/95/1285251395.db2.gz RQKXDZGBXMHIAF-UHFFFAOYSA-N 2 0 326.481 2.033 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001273910340 1289776293 /nfs/dbraw/zinc/77/62/93/1289776293.db2.gz PGIWGBKEZGMVLL-HMECNJMJSA-N 2 0 345.487 2.330 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1[C@H]1CCc2ccccc21)C(=O)C[NH+]1CCCC1 ZINC001488694893 1290138475 /nfs/dbraw/zinc/13/84/75/1290138475.db2.gz WWVNECIDWSVBRA-MJGOQNOKSA-N 2 0 327.472 2.302 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ccnc(Cl)c1)C1CCC1 ZINC001490207952 1290999989 /nfs/dbraw/zinc/99/99/89/1290999989.db2.gz NWDFTZCYNUPRER-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1sc(C)nc1C)[NH+](C)C ZINC001490213091 1291004061 /nfs/dbraw/zinc/00/40/61/1291004061.db2.gz BZZJFTUWCRCKBX-CQSZACIVSA-N 2 0 326.510 2.038 10 0 EEAERP Cc1ccc(F)cc1C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270675 1291092883 /nfs/dbraw/zinc/09/28/83/1291092883.db2.gz VMNJEKARSGYSCW-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001490382605 1291267608 /nfs/dbraw/zinc/26/76/08/1291267608.db2.gz GPJFEUNRQKBHNR-YEYNKYMBSA-N 2 0 327.900 2.440 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001490645382 1291510019 /nfs/dbraw/zinc/51/00/19/1291510019.db2.gz QKPMNUKGYRNDJK-MSOLQXFVSA-N 2 0 333.451 2.235 10 0 EEAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490605595 1291515198 /nfs/dbraw/zinc/51/51/98/1291515198.db2.gz HMGUHPWFYGTECL-LIMHQNJXSA-N 2 0 331.504 2.409 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740753 1291653594 /nfs/dbraw/zinc/65/35/94/1291653594.db2.gz FWQINURWTFONHE-RBUKOAKNSA-N 2 0 344.503 2.186 10 0 EEAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)P(=O)(OCC)OCC)CC1 ZINC000851796784 1291841678 /nfs/dbraw/zinc/84/16/78/1291841678.db2.gz KIEPVIFTURCJGT-HNNXBMFYSA-N 2 0 336.413 2.377 10 0 EEAERP O=C(OCc1ccccc1)N1CCC(C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000853246017 1292339205 /nfs/dbraw/zinc/33/92/05/1292339205.db2.gz GVWQTORYZCLPDT-UHFFFAOYSA-N 2 0 343.471 2.377 10 0 EEAERP CCn1cncc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856548672 1293562517 /nfs/dbraw/zinc/56/25/17/1293562517.db2.gz LXHZURFHBCJRRI-LJQANCHMSA-N 2 0 343.475 2.403 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856583841 1293571571 /nfs/dbraw/zinc/57/15/71/1293571571.db2.gz AQUPHZNXASXWFG-IEBWSBKVSA-N 2 0 332.492 2.081 10 0 EEAERP CCCc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863643557 1296360568 /nfs/dbraw/zinc/36/05/68/1296360568.db2.gz OELGVKUGFGSZNN-MOPGFXCFSA-N 2 0 343.471 2.396 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001277290773 1302215122 /nfs/dbraw/zinc/21/51/22/1302215122.db2.gz MQUBUJLDUSHUAS-INIZCTEOSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355594 1302608570 /nfs/dbraw/zinc/60/85/70/1302608570.db2.gz KLZGAZOCKPJCNF-HUUCEWRRSA-N 2 0 344.459 2.154 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCF)[C@@H](c2ccccc2)C1 ZINC001277942289 1305213619 /nfs/dbraw/zinc/21/36/19/1305213619.db2.gz WYCUHDFGNQXYKK-QRVBRYPASA-N 2 0 347.478 2.272 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC001278251173 1308914921 /nfs/dbraw/zinc/91/49/21/1308914921.db2.gz LXUVIDXPRKXHNO-NVXWUHKLSA-N 2 0 344.459 2.262 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc(CC[NH3+])cc2)cc(Cl)n1 ZINC000841847030 1315622308 /nfs/dbraw/zinc/62/23/08/1315622308.db2.gz GNHMLGFKICERPQ-MRXNPFEDSA-N 2 0 346.862 2.251 10 0 EEAERP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001264190044 1322656939 /nfs/dbraw/zinc/65/69/39/1322656939.db2.gz SZJLKCZFGPPJBZ-AWEZNQCLSA-N 2 0 336.505 2.012 10 0 EEAERP COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001264567089 1322733629 /nfs/dbraw/zinc/73/36/29/1322733629.db2.gz SPFVSVLDINOXGY-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264683399 1322782717 /nfs/dbraw/zinc/78/27/17/1322782717.db2.gz CKJRAZSYKOHHOZ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001264728474 1322794110 /nfs/dbraw/zinc/79/41/10/1322794110.db2.gz KOTIGESGLVUIEB-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1cc(C2CC2)no1 ZINC001265007437 1322853576 /nfs/dbraw/zinc/85/35/76/1322853576.db2.gz QTMFFVSMNPGHIL-UHFFFAOYSA-N 2 0 346.475 2.119 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037155 1323587825 /nfs/dbraw/zinc/58/78/25/1323587825.db2.gz LDVPWTAAUSRSPT-LJQANCHMSA-N 2 0 343.515 2.462 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1scnc1C ZINC001266054451 1323604948 /nfs/dbraw/zinc/60/49/48/1323604948.db2.gz RYSCMNJEHIYPFZ-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001266075429 1323631085 /nfs/dbraw/zinc/63/10/85/1323631085.db2.gz NIMLMWUKUCVZEH-IRXDYDNUSA-N 2 0 332.492 2.331 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2ccccn2)CCC1 ZINC001266219883 1323790075 /nfs/dbraw/zinc/79/00/75/1323790075.db2.gz KGAFMGMNBCWEJL-GOSISDBHSA-N 2 0 344.503 2.427 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCCOC(C)C)C[C@H]21)[NH+](C)C ZINC001279624566 1323963700 /nfs/dbraw/zinc/96/37/00/1323963700.db2.gz LWRBROQUYCUMOE-RCCFBDPRSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001280085023 1324079873 /nfs/dbraw/zinc/07/98/73/1324079873.db2.gz XDXMRRYJWFCKHI-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001281476265 1325147630 /nfs/dbraw/zinc/14/76/30/1325147630.db2.gz QBEZIEYZNKSVKM-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001281500303 1325177819 /nfs/dbraw/zinc/17/78/19/1325177819.db2.gz QIXJNYDROCIOSW-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C(=O)NC1(CO)CC[NH+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001281817790 1325472660 /nfs/dbraw/zinc/47/26/60/1325472660.db2.gz VKWZBVRCTJMQGD-QGZVFWFLSA-N 2 0 339.524 2.016 10 0 EEAERP CCCCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282678478 1325763758 /nfs/dbraw/zinc/76/37/58/1325763758.db2.gz UJLHDMSYYQQTJB-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CCC[NH2+]CCC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283191480 1325950309 /nfs/dbraw/zinc/95/03/09/1325950309.db2.gz ITZPUXCXQCQMKR-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CCC[NH2+]CCC1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283191481 1325950482 /nfs/dbraw/zinc/95/04/82/1325950482.db2.gz ITZPUXCXQCQMKR-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)C[NH+]1CCCC1 ZINC001283279521 1325986508 /nfs/dbraw/zinc/98/65/08/1325986508.db2.gz XOBCBTFRFWUAHY-LBPRGKRZSA-N 2 0 344.912 2.267 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCOc1ccccc1 ZINC001283665059 1326190814 /nfs/dbraw/zinc/19/08/14/1326190814.db2.gz IFDFGKXEQUNTOD-BZSNNMDCSA-N 2 0 347.503 2.232 10 0 EEAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001284995233 1326818047 /nfs/dbraw/zinc/81/80/47/1326818047.db2.gz OAHHGRGIPXZTGX-MRXNPFEDSA-N 2 0 325.472 2.359 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001491638375 1330193299 /nfs/dbraw/zinc/19/32/99/1330193299.db2.gz NVEMANSRAUMCED-FUHWJXTLSA-N 2 0 347.503 2.410 10 0 EEAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001491891907 1330292123 /nfs/dbraw/zinc/29/21/23/1330292123.db2.gz PKZKCEWFIPCPLO-STQMWFEESA-N 2 0 333.398 2.052 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491896137 1330294052 /nfs/dbraw/zinc/29/40/52/1330294052.db2.gz KJIRBPGVWHJFAB-MOPGFXCFSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@H]2CCCC[N@H+]2C)on1 ZINC001492158069 1331021513 /nfs/dbraw/zinc/02/15/13/1331021513.db2.gz OEOPSPSILGMUPN-SJLPKXTDSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001493255170 1331219026 /nfs/dbraw/zinc/21/90/26/1331219026.db2.gz PSMXDMKVEKHUMS-HUUCEWRRSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1c2cc(C)ccc2[nH]c1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001306599477 1331479362 /nfs/dbraw/zinc/47/93/62/1331479362.db2.gz WDCLEEUYPVQGCN-UHFFFAOYSA-N 2 0 330.476 2.350 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316772431 1331829610 /nfs/dbraw/zinc/82/96/10/1331829610.db2.gz OOARGIOYKDHCFX-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001316870179 1331941056 /nfs/dbraw/zinc/94/10/56/1331941056.db2.gz NGVUFPBEFXPEDO-HZPDHXFCSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882807 1331949407 /nfs/dbraw/zinc/94/94/07/1331949407.db2.gz VEMAMENFLAJNDU-IRXDYDNUSA-N 2 0 349.523 2.011 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001316917094 1331982950 /nfs/dbraw/zinc/98/29/50/1331982950.db2.gz YQCVBSGWDUUDLF-SUWYVTPWSA-N 2 0 327.900 2.440 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001317099432 1332078593 /nfs/dbraw/zinc/07/85/93/1332078593.db2.gz DGOHVUZJLBXMCF-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001317144300 1332098355 /nfs/dbraw/zinc/09/83/55/1332098355.db2.gz QZUDOZIJPAWTQF-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001317334424 1332183757 /nfs/dbraw/zinc/18/37/57/1332183757.db2.gz RXWZIQVMPSLQGX-BBWFWOEESA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC/C=C/c3ccccc3)C2)C1 ZINC001317344149 1332187876 /nfs/dbraw/zinc/18/78/76/1332187876.db2.gz PXZJNFMRHXPUKX-OIJNNWEZSA-N 2 0 341.499 2.480 10 0 EEAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001317405288 1332216537 /nfs/dbraw/zinc/21/65/37/1332216537.db2.gz GUGMFFATYMFQMQ-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317596596 1332317286 /nfs/dbraw/zinc/31/72/86/1332317286.db2.gz VBYMABZDRXQSEJ-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661153 1332356322 /nfs/dbraw/zinc/35/63/22/1332356322.db2.gz IZVGBQZCYSHQPA-QGZVFWFLSA-N 2 0 332.492 2.013 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001318377007 1332518900 /nfs/dbraw/zinc/51/89/00/1332518900.db2.gz YFGDEAYTKAVDEO-CQSZACIVSA-N 2 0 335.414 2.395 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319189063 1332662732 /nfs/dbraw/zinc/66/27/32/1332662732.db2.gz LCYLLSXGWCIBIF-CGTJXYLNSA-N 2 0 347.503 2.056 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001319697858 1332745156 /nfs/dbraw/zinc/74/51/56/1332745156.db2.gz PTXJWSWKCWUONI-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001319930623 1332799258 /nfs/dbraw/zinc/79/92/58/1332799258.db2.gz WNRLKUBQWCNHDC-QGZVFWFLSA-N 2 0 329.448 2.411 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001320444665 1332884817 /nfs/dbraw/zinc/88/48/17/1332884817.db2.gz BYPHDOUYBLSWFN-KBXCAEBGSA-N 2 0 348.491 2.374 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1C ZINC001320464924 1332890324 /nfs/dbraw/zinc/89/03/24/1332890324.db2.gz VTZUNRKCQWMKBY-QAPCUYQASA-N 2 0 347.503 2.472 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)cs1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320826499 1332960469 /nfs/dbraw/zinc/96/04/69/1332960469.db2.gz KHFVGDAGDVAOJT-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H](C[N@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)C[NH+]1CCCC1 ZINC001322298398 1333243029 /nfs/dbraw/zinc/24/30/29/1333243029.db2.gz LLXZMFWZOJIOMD-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001322441429 1333264150 /nfs/dbraw/zinc/26/41/50/1333264150.db2.gz BPMKUFBVAASTFM-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP Cc1csc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)n1 ZINC001322593107 1333289903 /nfs/dbraw/zinc/28/99/03/1333289903.db2.gz VZUCHLMGIUDHNB-UHFFFAOYSA-N 2 0 336.505 2.018 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)cc1F ZINC001322791687 1333327406 /nfs/dbraw/zinc/32/74/06/1333327406.db2.gz CVKFIHBSHUHMGR-UHFFFAOYSA-N 2 0 333.451 2.168 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCCOC)C2 ZINC001323814373 1333545554 /nfs/dbraw/zinc/54/55/54/1333545554.db2.gz YZOURVVEKBQKMS-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCOCC1 ZINC001324993349 1333803892 /nfs/dbraw/zinc/80/38/92/1333803892.db2.gz SLJOCAQPLISLLU-GOSISDBHSA-N 2 0 349.519 2.226 10 0 EEAERP C[C@@H]([NH2+]Cc1ccns1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455483 1333889553 /nfs/dbraw/zinc/88/95/53/1333889553.db2.gz LPRUACOYWBUELH-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC001326398079 1334083799 /nfs/dbraw/zinc/08/37/99/1334083799.db2.gz LLPVJXQHKPAVAM-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001326521365 1334109364 /nfs/dbraw/zinc/10/93/64/1334109364.db2.gz LSBMPGXFFVJOAM-BRSBDYLESA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001326989688 1334198022 /nfs/dbraw/zinc/19/80/22/1334198022.db2.gz KJPQIMSJYNMOEC-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001327047302 1334210628 /nfs/dbraw/zinc/21/06/28/1334210628.db2.gz DEMRIDVQUQUOGI-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]C/C(Cl)=C\Cl ZINC001327940946 1334367491 /nfs/dbraw/zinc/36/74/91/1334367491.db2.gz OGTHAZGYGRALMD-SUHDFKPZSA-N 2 0 336.307 2.474 10 0 EEAERP CCCCC[NH2+]C1(C)CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001327982597 1334373714 /nfs/dbraw/zinc/37/37/14/1334373714.db2.gz TYGZZAFHFAODFZ-UHFFFAOYSA-N 2 0 349.523 2.219 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001330978509 1334940068 /nfs/dbraw/zinc/94/00/68/1334940068.db2.gz ZXWLFRTZJPQFEX-RDJZCZTQSA-N 2 0 333.476 2.021 10 0 EEAERP CCCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001332649171 1335873947 /nfs/dbraw/zinc/87/39/47/1335873947.db2.gz ZULBUBAGNHAPBC-QGZVFWFLSA-N 2 0 346.475 2.198 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332861436 1335920729 /nfs/dbraw/zinc/92/07/29/1335920729.db2.gz SCLUJOUDCFAWTN-SJORKVTESA-N 2 0 341.540 2.408 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)C1 ZINC001332880949 1335923846 /nfs/dbraw/zinc/92/38/46/1335923846.db2.gz CMBXOMBBHGRLHS-OLZOCXBDSA-N 2 0 337.430 2.401 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH2+]CCCF)cc2F)C1 ZINC001333480627 1336057143 /nfs/dbraw/zinc/05/71/43/1336057143.db2.gz VJRHEKUDRBLGBL-OAHLLOKOSA-N 2 0 339.430 2.233 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001667459361 1355745069 /nfs/dbraw/zinc/74/50/69/1355745069.db2.gz TVPGUWRCVHLGIV-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001433993916 1341739899 /nfs/dbraw/zinc/73/98/99/1341739899.db2.gz PTSIBTLUQDPMLU-PKOBYXMFSA-N 2 0 347.478 2.401 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001668614167 1355972913 /nfs/dbraw/zinc/97/29/13/1355972913.db2.gz MLMPAYUGNPNMEE-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001436285862 1342017985 /nfs/dbraw/zinc/01/79/85/1342017985.db2.gz CYBBMAJNCQDWGQ-CXAGYDPISA-N 2 0 339.430 2.242 10 0 EEAERP Cc1cncn1CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C ZINC001436312729 1342020148 /nfs/dbraw/zinc/02/01/48/1342020148.db2.gz KXFIGCWYJPCDII-GOSISDBHSA-N 2 0 326.444 2.233 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1cccc(N(C)C)c1 ZINC001436331102 1342034898 /nfs/dbraw/zinc/03/48/98/1342034898.db2.gz UCWZZIFQXNXYDO-IBGZPJMESA-N 2 0 346.519 2.127 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1[C@H]1CCCc2ccccc21 ZINC001499120240 1342108107 /nfs/dbraw/zinc/10/81/07/1342108107.db2.gz MOSUGPONKKSWQL-HKUYNNGSSA-N 2 0 327.472 2.350 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001500276047 1342128275 /nfs/dbraw/zinc/12/82/75/1342128275.db2.gz WYSHRJXROQWFKM-HXUWFJFHSA-N 2 0 346.519 2.175 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCOc2ccccc2)CC1 ZINC001502772009 1342232473 /nfs/dbraw/zinc/23/24/73/1342232473.db2.gz FWQIYSJUJMPULB-GOSISDBHSA-N 2 0 345.487 2.130 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001506574675 1342255447 /nfs/dbraw/zinc/25/54/47/1342255447.db2.gz WUKGDNKXMILVEQ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001569985231 1342988928 /nfs/dbraw/zinc/98/89/28/1342988928.db2.gz NUYYRCWDWITPET-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccncc2Cl)C1 ZINC001569999692 1342994413 /nfs/dbraw/zinc/99/44/13/1342994413.db2.gz DMWVRAQJWFPAET-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2scnc2C)C1 ZINC001570015734 1343000311 /nfs/dbraw/zinc/00/03/11/1343000311.db2.gz OUYGNZXKXZBYOW-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1cccs1)NC(=O)C12CC[NH+](CC1)C2 ZINC001571322026 1343179262 /nfs/dbraw/zinc/17/92/62/1343179262.db2.gz GLDKDVFENASDDE-HNNXBMFYSA-N 2 0 335.517 2.261 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571484606 1343217864 /nfs/dbraw/zinc/21/78/64/1343217864.db2.gz GLYNUPLHWODQKL-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC001676873700 1357227481 /nfs/dbraw/zinc/22/74/81/1357227481.db2.gz QPTMPCFWGMQJQZ-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccnc1C[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001677570858 1357359533 /nfs/dbraw/zinc/35/95/33/1357359533.db2.gz QJAWIANZTYWGLK-UHFFFAOYSA-N 2 0 342.487 2.123 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001646962853 1353076356 /nfs/dbraw/zinc/07/63/56/1353076356.db2.gz KGJLOXCUVZSCBS-FGTMMUONSA-N 2 0 336.524 2.090 10 0 EEAERP COC[C@](C)(CO)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001648007086 1353413070 /nfs/dbraw/zinc/41/30/70/1353413070.db2.gz YTLSIIRUYRFXDX-FQEVSTJZSA-N 2 0 334.504 2.318 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001649463349 1353519111 /nfs/dbraw/zinc/51/91/11/1353519111.db2.gz LBKJWPRSKCGYPA-MJGOQNOKSA-N 2 0 347.503 2.152 10 0 EEAERP COCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001661866720 1354713618 /nfs/dbraw/zinc/71/36/18/1354713618.db2.gz SNLDJXGWGFYTHP-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001661930407 1354725105 /nfs/dbraw/zinc/72/51/05/1354725105.db2.gz UJOZFQSYYSVXSK-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001661977053 1354731597 /nfs/dbraw/zinc/73/15/97/1354731597.db2.gz JNRGCYPAIQBYIZ-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001664043798 1355079698 /nfs/dbraw/zinc/07/96/98/1355079698.db2.gz AFGZBZROKWALQK-UHFFFAOYSA-N 2 0 343.515 2.468 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001666223304 1355488158 /nfs/dbraw/zinc/48/81/58/1355488158.db2.gz HNBAEORQUCJPPM-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cccc(F)c2)CC1 ZINC001666240043 1355492628 /nfs/dbraw/zinc/49/26/28/1355492628.db2.gz HJQPZMBHCBVLRM-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001666256202 1355497161 /nfs/dbraw/zinc/49/71/61/1355497161.db2.gz FADNXSPZLIRTPB-HNNXBMFYSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001666333012 1355510993 /nfs/dbraw/zinc/51/09/93/1355510993.db2.gz APIPEYCUMLFCCB-HDMKZQKVSA-N 2 0 335.467 2.481 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCF)CC1 ZINC001667296976 1355702312 /nfs/dbraw/zinc/70/23/12/1355702312.db2.gz XFUXYTAXLGBXFY-KRWDZBQOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668059225 1355858810 /nfs/dbraw/zinc/85/88/10/1355858810.db2.gz CEHKSKYTOQRCMQ-CVEARBPZSA-N 2 0 348.491 2.314 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088213 1355866870 /nfs/dbraw/zinc/86/68/70/1355866870.db2.gz WAQAFAPEAATKOM-QFBILLFUSA-N 2 0 344.503 2.473 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001668233968 1355905210 /nfs/dbraw/zinc/90/52/10/1355905210.db2.gz ABIFQECBVSFWPJ-MRXNPFEDSA-N 2 0 349.523 2.180 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668267262 1355912224 /nfs/dbraw/zinc/91/22/24/1355912224.db2.gz FREHDXGIHBLSJK-OAHLLOKOSA-N 2 0 348.491 2.089 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)C12CCC[NH+](CCC1)C2 ZINC001668464296 1355946489 /nfs/dbraw/zinc/94/64/89/1355946489.db2.gz KPFJILRCNFLHOH-UHFFFAOYSA-N 2 0 335.414 2.253 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001668827597 1356014610 /nfs/dbraw/zinc/01/46/10/1356014610.db2.gz JBFKEPGWYNHODX-CWIOURORSA-N 2 0 347.890 2.444 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccns1)[NH+]1CCCCCC1 ZINC001669075166 1356085437 /nfs/dbraw/zinc/08/54/37/1356085437.db2.gz LQNJJBSNZZSYQF-MBVDDHJVSA-N 2 0 336.505 2.170 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001669698024 1356196033 /nfs/dbraw/zinc/19/60/33/1356196033.db2.gz HGMLRWKIHABSFZ-AWEZNQCLSA-N 2 0 338.883 2.061 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001670041872 1356265735 /nfs/dbraw/zinc/26/57/35/1356265735.db2.gz LLEWRRGDNPMMPU-IBGZPJMESA-N 2 0 329.488 2.208 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCc3cccs3)C2)C1 ZINC001671800195 1356416707 /nfs/dbraw/zinc/41/67/07/1356416707.db2.gz GWTMHFTUZNIEPA-APWZRJJASA-N 2 0 349.544 2.461 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CCc3cccs3)C2)C1 ZINC001671800199 1356416898 /nfs/dbraw/zinc/41/68/98/1356416898.db2.gz GWTMHFTUZNIEPA-QFBILLFUSA-N 2 0 349.544 2.461 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001672994970 1356628756 /nfs/dbraw/zinc/62/87/56/1356628756.db2.gz OEOQXGUPYWCCIF-QAQDUYKDSA-N 2 0 327.488 2.487 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCOC1 ZINC001675271282 1356956833 /nfs/dbraw/zinc/95/68/33/1356956833.db2.gz ZXFYIIDXWUDETM-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001690620956 1404930812 /nfs/dbraw/zinc/93/08/12/1404930812.db2.gz KMGVZNINEJONML-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001699761383 1405471084 /nfs/dbraw/zinc/47/10/84/1405471084.db2.gz CXMJVCJRXCYRHQ-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1)C1CCC1 ZINC001699987312 1405632825 /nfs/dbraw/zinc/63/28/25/1405632825.db2.gz KHQPRXQPRFBMSY-IYBDPMFKSA-N 2 0 325.472 2.001 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC001699987743 1405638209 /nfs/dbraw/zinc/63/82/09/1405638209.db2.gz SBVANOLUXIVWSB-KSZLIROESA-N 2 0 339.499 2.391 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)CC[NH+](C)C)cc2)CC1 ZINC001135598212 784049507 /nfs/dbraw/zinc/04/95/07/784049507.db2.gz YZPSZJXWWZGCFW-MRXNPFEDSA-N 2 0 332.492 2.355 10 0 EEAERP CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000907375106 784571977 /nfs/dbraw/zinc/57/19/77/784571977.db2.gz XOHSHXUZJKNCOV-SFHVURJKSA-N 2 0 327.472 2.205 10 0 EEAERP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000819015380 785382986 /nfs/dbraw/zinc/38/29/86/785382986.db2.gz GIWJKJUUGMTRBW-FXAWDEMLSA-N 2 0 343.446 2.408 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000913281121 788757383 /nfs/dbraw/zinc/75/73/83/788757383.db2.gz LNWOGEMNSSDUQO-MISYRCLQSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[N@@H+](C(C)C)CC2)cc(Cl)n1 ZINC000844203095 788923715 /nfs/dbraw/zinc/92/37/15/788923715.db2.gz AFLVMYOREXGJRH-OAHLLOKOSA-N 2 0 338.883 2.376 10 0 EEAERP CCCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846226793 790094034 /nfs/dbraw/zinc/09/40/34/790094034.db2.gz CADSKKPXWSQXHH-GVDBMIGSSA-N 2 0 325.497 2.044 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713432078 794598098 /nfs/dbraw/zinc/59/80/98/794598098.db2.gz LNPBIMHNGRLOOG-LBKNJMOBSA-N 2 0 327.472 2.237 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000916361478 797592084 /nfs/dbraw/zinc/59/20/84/797592084.db2.gz OLFQYBJHUMRVHR-DOTOQJQBSA-N 2 0 335.496 2.104 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000922077351 798832502 /nfs/dbraw/zinc/83/25/02/798832502.db2.gz OPUUADPQSMTVFE-IEBWSBKVSA-N 2 0 330.476 2.044 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806861785 812011465 /nfs/dbraw/zinc/01/14/65/812011465.db2.gz UUBNDTWBGWNIJV-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001566052622 1125527654 /nfs/dbraw/zinc/52/76/54/1125527654.db2.gz FKGUWLPGNBKWEN-IBMHEYTHSA-N 2 0 333.520 2.465 10 0 EEAERP Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001566518323 1125690491 /nfs/dbraw/zinc/69/04/91/1125690491.db2.gz DGQAULLXWOOCTE-KBPBESRZSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccc2c(c1)CCC2 ZINC001436910188 1088565442 /nfs/dbraw/zinc/56/54/42/1088565442.db2.gz MTIFBCJGXQDJJN-JVPBZIDWSA-N 2 0 329.488 2.425 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437012429 1088793929 /nfs/dbraw/zinc/79/39/29/1088793929.db2.gz NXPVQALFGDNRDI-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cccnc1C[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001437094611 1089051253 /nfs/dbraw/zinc/05/12/53/1089051253.db2.gz RXKUJHRXFKEQMN-UHFFFAOYSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2s1 ZINC001437260330 1089402294 /nfs/dbraw/zinc/40/22/94/1089402294.db2.gz LJYOMQZRJUXGFD-DZGCQCFKSA-N 2 0 331.485 2.447 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001437327867 1089499628 /nfs/dbraw/zinc/49/96/28/1089499628.db2.gz VXDMWZNFFGOUHB-HOTGVXAUSA-N 2 0 336.480 2.094 10 0 EEAERP CO[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1)C1CCC1 ZINC001437358314 1089588358 /nfs/dbraw/zinc/58/83/58/1089588358.db2.gz OSIWTRCROHAGSN-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437421341 1089705752 /nfs/dbraw/zinc/70/57/52/1089705752.db2.gz HYXBYFRCQJYEIE-ZDUSSCGKSA-N 2 0 325.403 2.045 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCc1ccccc1 ZINC001437595961 1090100897 /nfs/dbraw/zinc/10/08/97/1090100897.db2.gz ZOLUUVMMKFRTBH-IBGZPJMESA-N 2 0 329.488 2.009 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001438242961 1090724184 /nfs/dbraw/zinc/72/41/84/1090724184.db2.gz PPNODUJDCLNFJQ-FXAWDEMLSA-N 2 0 343.515 2.276 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)C[NH+]1CCCC1 ZINC001438724632 1091255733 /nfs/dbraw/zinc/25/57/33/1091255733.db2.gz UJFTWKDLEUCYKF-KDOFPFPSSA-N 2 0 333.451 2.345 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC001438762834 1091334860 /nfs/dbraw/zinc/33/48/60/1091334860.db2.gz BXPOZFSVNYNAAI-BBRMVZONSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445570928 1091348103 /nfs/dbraw/zinc/34/81/03/1091348103.db2.gz ZPNSDOZMRCHRQK-HNAYVOBHSA-N 2 0 340.471 2.313 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445646277 1091435590 /nfs/dbraw/zinc/43/55/90/1091435590.db2.gz JTQKXUUDPYTMLB-LBPRGKRZSA-N 2 0 339.842 2.169 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001439109035 1091752871 /nfs/dbraw/zinc/75/28/71/1091752871.db2.gz FVNCEEHWCFRACL-DNVCBOLYSA-N 2 0 345.487 2.184 10 0 EEAERP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001439179590 1091826654 /nfs/dbraw/zinc/82/66/54/1091826654.db2.gz MQFILBSHXGKHHH-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439221995 1091866099 /nfs/dbraw/zinc/86/60/99/1091866099.db2.gz QKVNVPMKGYJDIC-LRDDRELGSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001445986299 1091952230 /nfs/dbraw/zinc/95/22/30/1091952230.db2.gz CIHQBKNZQUSBKL-IEBWSBKVSA-N 2 0 329.488 2.321 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001439346698 1092052922 /nfs/dbraw/zinc/05/29/22/1092052922.db2.gz YHDBAMRNEWTZMI-MAUKXSAKSA-N 2 0 333.476 2.116 10 0 EEAERP CCc1ccccc1CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001446064246 1092077483 /nfs/dbraw/zinc/07/74/83/1092077483.db2.gz NYTJTMYFTSOQAK-RTBURBONSA-N 2 0 331.504 2.322 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(Cl)s1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439412045 1092178954 /nfs/dbraw/zinc/17/89/54/1092178954.db2.gz SIPYODVJMPJOJW-RYUDHWBXSA-N 2 0 329.897 2.290 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ocnc1C ZINC001439414962 1092184005 /nfs/dbraw/zinc/18/40/05/1092184005.db2.gz CRUIWHVIRMESFC-JKSUJKDBSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1)[NH+](C)C ZINC001446206694 1092289491 /nfs/dbraw/zinc/28/94/91/1092289491.db2.gz MNKBWFOXVKFSBH-IAGOWNOFSA-N 2 0 333.451 2.392 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001439500448 1092336237 /nfs/dbraw/zinc/33/62/37/1092336237.db2.gz VKIRJXDOWJFFJP-SFHVURJKSA-N 2 0 335.467 2.459 10 0 EEAERP CC[C@@H](C(=O)NC1(C)CC[NH+](CCC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001439808457 1092770625 /nfs/dbraw/zinc/77/06/25/1092770625.db2.gz QNOFMBCRBNBMFI-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)co1 ZINC001439883128 1092933795 /nfs/dbraw/zinc/93/37/95/1092933795.db2.gz FPDHTAMVIJMLBA-MJGOQNOKSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440116693 1093177929 /nfs/dbraw/zinc/17/79/29/1093177929.db2.gz GMSOZOHBARBGSE-PKOBYXMFSA-N 2 0 329.488 2.152 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001440137969 1093202295 /nfs/dbraw/zinc/20/22/95/1093202295.db2.gz RNHBDCNRLFKBAK-GOEBONIOSA-N 2 0 348.491 2.078 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001440308594 1093437262 /nfs/dbraw/zinc/43/72/62/1093437262.db2.gz TXDAUUVXRQQBFF-RVKKMQEKSA-N 2 0 325.472 2.093 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001440385989 1093557992 /nfs/dbraw/zinc/55/79/92/1093557992.db2.gz IKEUBSHSFGSUSE-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)Cc2cncs2)CC[N@@H+]1C ZINC001440452386 1093666500 /nfs/dbraw/zinc/66/65/00/1093666500.db2.gz OOWGQDKQCYMYEG-GJZGRUSLSA-N 2 0 338.521 2.154 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001440474490 1093701402 /nfs/dbraw/zinc/70/14/02/1093701402.db2.gz PIEUZAQHWAJYGE-WGPYJDKQSA-N 2 0 327.900 2.442 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001440478299 1093708258 /nfs/dbraw/zinc/70/82/58/1093708258.db2.gz WUWOQYKMYUAGGQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001440496725 1093736819 /nfs/dbraw/zinc/73/68/19/1093736819.db2.gz PIQYAAWBOYMKCU-KBMXLJTQSA-N 2 0 343.462 2.485 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1scnc1C ZINC001448787335 1093865944 /nfs/dbraw/zinc/86/59/44/1093865944.db2.gz ZSAWJNLFRCXCAZ-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2c3ccccc3CC[NH+]2CC2CC2)C1 ZINC001440690837 1093943048 /nfs/dbraw/zinc/94/30/48/1093943048.db2.gz QZSKHQPLTFMVON-JXFKEZNVSA-N 2 0 341.499 2.454 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001440755268 1093998840 /nfs/dbraw/zinc/99/88/40/1093998840.db2.gz CDLPPJKTTLSINL-PVCYVWKFSA-N 2 0 333.451 2.249 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001449007866 1094007150 /nfs/dbraw/zinc/00/71/50/1094007150.db2.gz HURVZBSRFMKWQT-DAYGRLMNSA-N 2 0 325.472 2.190 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001449022056 1094027742 /nfs/dbraw/zinc/02/77/42/1094027742.db2.gz ZRJCLVMLCXWUEJ-WBVHZDCISA-N 2 0 343.462 2.487 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CC2)CN1C(=O)CC[NH+](C)C ZINC001449033627 1094045506 /nfs/dbraw/zinc/04/55/06/1094045506.db2.gz TWYJXFBPFGOVBP-WBVHZDCISA-N 2 0 345.487 2.259 10 0 EEAERP C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001440820321 1094073343 /nfs/dbraw/zinc/07/33/43/1094073343.db2.gz YLONPQPWIAXDCW-CVEARBPZSA-N 2 0 349.523 2.058 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001440843675 1094100858 /nfs/dbraw/zinc/10/08/58/1094100858.db2.gz UZTPUKJTHDYSPT-CHWSQXEVSA-N 2 0 333.467 2.492 10 0 EEAERP Cc1cccnc1C[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001440939618 1094191808 /nfs/dbraw/zinc/19/18/08/1094191808.db2.gz XAUKVGWWNZEIMV-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001440954675 1094209544 /nfs/dbraw/zinc/20/95/44/1094209544.db2.gz NGAXATFHUYDPLB-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCCF)CC1 ZINC001449355752 1094319075 /nfs/dbraw/zinc/31/90/75/1094319075.db2.gz QGDZJCXVPWZVOP-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001441167265 1094518255 /nfs/dbraw/zinc/51/82/55/1094518255.db2.gz NVFONNHOYGLMMZ-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC001441227792 1094601869 /nfs/dbraw/zinc/60/18/69/1094601869.db2.gz LWIBMKRQTLZSDG-HNNXBMFYSA-N 2 0 331.451 2.248 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001441292479 1094727232 /nfs/dbraw/zinc/72/72/32/1094727232.db2.gz GVFKTLAUHBLOMN-HZPDHXFCSA-N 2 0 343.462 2.391 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001441300254 1094745594 /nfs/dbraw/zinc/74/55/94/1094745594.db2.gz RUIBZWDBVBZRNG-OWZKRDHZSA-N 2 0 343.515 2.439 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001441360407 1094879151 /nfs/dbraw/zinc/87/91/51/1094879151.db2.gz FLSNDEHOIGQFOV-JMICBVPHSA-N 2 0 327.472 2.232 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncc(C2CC2)o1 ZINC001441412271 1094992969 /nfs/dbraw/zinc/99/29/69/1094992969.db2.gz CBUMJABVCVMONT-HZPDHXFCSA-N 2 0 348.491 2.124 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001441531296 1095242376 /nfs/dbraw/zinc/24/23/76/1095242376.db2.gz QPMLEORPOUGJQM-DZGCQCFKSA-N 2 0 338.521 2.261 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001441613958 1095479001 /nfs/dbraw/zinc/47/90/01/1095479001.db2.gz SNTKAHHIXPXRIB-OAHLLOKOSA-N 2 0 348.491 2.222 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)CC[NH+]3CCCCC3)CC2)co1 ZINC001441741167 1095731525 /nfs/dbraw/zinc/73/15/25/1095731525.db2.gz OIDMEFUVGKKEGU-UHFFFAOYSA-N 2 0 348.491 2.376 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H]1C ZINC001441817520 1095852882 /nfs/dbraw/zinc/85/28/82/1095852882.db2.gz KZDUZRAKMUHVOQ-VQIMIIECSA-N 2 0 346.519 2.172 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001441865966 1095973561 /nfs/dbraw/zinc/97/35/61/1095973561.db2.gz DHVQCQVUJMFSRB-SJLPKXTDSA-N 2 0 332.492 2.105 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCCO2)C(C)(C)C1 ZINC001441925059 1096110143 /nfs/dbraw/zinc/11/01/43/1096110143.db2.gz AZTUYEXGBWFKMV-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001441949187 1096149754 /nfs/dbraw/zinc/14/97/54/1096149754.db2.gz KTSVTYROKGTZFC-HZPDHXFCSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001442007715 1096210457 /nfs/dbraw/zinc/21/04/57/1096210457.db2.gz JRSNZZVEOWETPJ-HUUCEWRRSA-N 2 0 329.444 2.369 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001442127581 1096366675 /nfs/dbraw/zinc/36/66/75/1096366675.db2.gz VUBJPLORVGDYME-ZWKOTPCHSA-N 2 0 341.540 2.455 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001442294328 1096609575 /nfs/dbraw/zinc/60/95/75/1096609575.db2.gz JZOUNNKAHHGJII-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP CCN(CCNC(=O)Cc1cncn1C)Cc1cc(C)ccc1F ZINC001442752212 1097128448 /nfs/dbraw/zinc/12/84/48/1097128448.db2.gz QCIMSPVWYNPZNP-UHFFFAOYSA-N 2 0 332.423 2.048 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001442795084 1097175298 /nfs/dbraw/zinc/17/52/98/1097175298.db2.gz AOFITIARHMNSAB-QGZVFWFLSA-N 2 0 328.460 2.200 10 0 EEAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC001442964056 1097386117 /nfs/dbraw/zinc/38/61/17/1097386117.db2.gz QOSMXADJBUTQFP-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001443081662 1097495441 /nfs/dbraw/zinc/49/54/41/1097495441.db2.gz UMXUUARDXVXLDU-RBUKOAKNSA-N 2 0 345.462 2.203 10 0 EEAERP CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001443110703 1097524461 /nfs/dbraw/zinc/52/44/61/1097524461.db2.gz VPKXFAUMKMKSPE-SJORKVTESA-N 2 0 337.414 2.094 10 0 EEAERP Cc1conc1C[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001443271475 1097754660 /nfs/dbraw/zinc/75/46/60/1097754660.db2.gz MSIUBBVYJKRNKP-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001451871012 1097997984 /nfs/dbraw/zinc/99/79/84/1097997984.db2.gz HVVCBLQKRPWFAN-QRQLOZEOSA-N 2 0 329.488 2.307 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001443852736 1098372387 /nfs/dbraw/zinc/37/23/87/1098372387.db2.gz HDRAVBKMFUBOMO-LJQANCHMSA-N 2 0 331.504 2.412 10 0 EEAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001443875655 1098401883 /nfs/dbraw/zinc/40/18/83/1098401883.db2.gz ZJOJBQJVUXTVFX-RBUKOAKNSA-N 2 0 344.503 2.379 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001479474849 1098557339 /nfs/dbraw/zinc/55/73/39/1098557339.db2.gz KJESOLNJLNMYEE-QFBILLFUSA-N 2 0 345.487 2.043 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001479525977 1098591487 /nfs/dbraw/zinc/59/14/87/1098591487.db2.gz OFBSVIGZSDVFOH-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CCC1CCOCC1 ZINC001479647805 1098677820 /nfs/dbraw/zinc/67/78/20/1098677820.db2.gz ZHZXOQGRBWQTIY-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001479664122 1098710241 /nfs/dbraw/zinc/71/02/41/1098710241.db2.gz UFPCJMNFEWDJEX-IKGGRYGDSA-N 2 0 325.472 2.001 10 0 EEAERP CC1(C)C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CCF)C1 ZINC001479748670 1098893905 /nfs/dbraw/zinc/89/39/05/1098893905.db2.gz ZWNOFNUQNNOGDO-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001479777423 1098960672 /nfs/dbraw/zinc/96/06/72/1098960672.db2.gz PFHURBPHEMTLHB-SFHVURJKSA-N 2 0 334.508 2.223 10 0 EEAERP CC[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001479860722 1099171167 /nfs/dbraw/zinc/17/11/67/1099171167.db2.gz QXEWUQOPFAWQSI-SSVWKNEZSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)c1F)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444716242 1099579335 /nfs/dbraw/zinc/57/93/35/1099579335.db2.gz CKPLLDANCDNAJC-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)c(C)n1 ZINC001444832383 1099782055 /nfs/dbraw/zinc/78/20/55/1099782055.db2.gz XWPLQSOABBDHKU-KXBFYZLASA-N 2 0 346.519 2.367 10 0 EEAERP Cc1cncc(C[N@@H+](C)CCC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001444831983 1099782096 /nfs/dbraw/zinc/78/20/96/1099782096.db2.gz BTYLTOYKBYEWTQ-UHFFFAOYSA-N 2 0 346.519 2.402 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](Cc3cccnc3)CC[C@H]21 ZINC001480188933 1099786345 /nfs/dbraw/zinc/78/63/45/1099786345.db2.gz JHHXSVVMRNVSEI-RBUKOAKNSA-N 2 0 344.503 2.236 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001480209171 1099818039 /nfs/dbraw/zinc/81/80/39/1099818039.db2.gz FCDJQUKFIHOSEA-JVGGDYBHSA-N 2 0 346.302 2.418 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001480221067 1099838496 /nfs/dbraw/zinc/83/84/96/1099838496.db2.gz UMTRUTFIIZCKHY-GASCZTMLSA-N 2 0 343.393 2.394 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1F ZINC001480221526 1099839343 /nfs/dbraw/zinc/83/93/43/1099839343.db2.gz YLKGRLNDDYSOEG-IYBDPMFKSA-N 2 0 333.451 2.213 10 0 EEAERP COCc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001480262913 1099945208 /nfs/dbraw/zinc/94/52/08/1099945208.db2.gz OGOKICWTWGRXMD-IBGZPJMESA-N 2 0 347.503 2.113 10 0 EEAERP CO[C@@H](C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCC1 ZINC001444978539 1100105927 /nfs/dbraw/zinc/10/59/27/1100105927.db2.gz DIFFFYWJZOOYFX-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480350550 1100119184 /nfs/dbraw/zinc/11/91/84/1100119184.db2.gz WYKKFEBXQARBJS-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480462071 1100266853 /nfs/dbraw/zinc/26/68/53/1100266853.db2.gz GINYGDNWUMQFBX-VQIMIIECSA-N 2 0 329.488 2.240 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001480463277 1100267861 /nfs/dbraw/zinc/26/78/61/1100267861.db2.gz SZGDZULQRGDRKB-UMVBOHGHSA-N 2 0 331.451 2.246 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1oc(CC)nc1C ZINC001480471135 1100277842 /nfs/dbraw/zinc/27/78/42/1100277842.db2.gz AHQJEBHDHBBPSG-DZGCQCFKSA-N 2 0 336.480 2.014 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480472070 1100279055 /nfs/dbraw/zinc/27/90/55/1100279055.db2.gz MUOBMYVFIVQKTB-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001480485645 1100296241 /nfs/dbraw/zinc/29/62/41/1100296241.db2.gz FJBGOOQQLCHCLU-INIZCTEOSA-N 2 0 345.487 2.166 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001480486986 1100297570 /nfs/dbraw/zinc/29/75/70/1100297570.db2.gz QSHQDIIFWGAQIE-MRXNPFEDSA-N 2 0 345.487 2.166 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001445103950 1100337271 /nfs/dbraw/zinc/33/72/71/1100337271.db2.gz DDACFKFZAKWJGD-IRXDYDNUSA-N 2 0 348.491 2.234 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccn(CC)n2)C[C@@H]1C ZINC001446417164 1100827570 /nfs/dbraw/zinc/82/75/70/1100827570.db2.gz JSUCKLFNEFHDLN-DLBZAZTESA-N 2 0 349.523 2.104 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC001496360350 1100953578 /nfs/dbraw/zinc/95/35/78/1100953578.db2.gz HLIPPKYTZJSONX-AAEUAGOBSA-N 2 0 344.912 2.075 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@H]1CCCOC1)C1CCCC1 ZINC001446509787 1100959691 /nfs/dbraw/zinc/95/96/91/1100959691.db2.gz NQANHSVDWWKNHF-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001496418734 1101013226 /nfs/dbraw/zinc/01/32/26/1101013226.db2.gz ZZLCKGADKBFFEZ-GOSISDBHSA-N 2 0 349.523 2.075 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001496462471 1101053532 /nfs/dbraw/zinc/05/35/32/1101053532.db2.gz QKHUNTKPGKTJSV-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001495398747 1101119979 /nfs/dbraw/zinc/11/99/79/1101119979.db2.gz YJACZXXHWSXQPS-WMZOPIPTSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCCCF)CC1 ZINC001495424067 1101142527 /nfs/dbraw/zinc/14/25/27/1101142527.db2.gz VZDPETPWUZFQCK-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001495457044 1101169052 /nfs/dbraw/zinc/16/90/52/1101169052.db2.gz AHQUTYXTHOLPGL-BZSNNMDCSA-N 2 0 339.524 2.303 10 0 EEAERP CC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccccc1CC ZINC001446932490 1101614052 /nfs/dbraw/zinc/61/40/52/1101614052.db2.gz BALMWRUEXYHSRE-LJQANCHMSA-N 2 0 347.503 2.127 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001447035220 1101797995 /nfs/dbraw/zinc/79/79/95/1101797995.db2.gz OJYMJSIUXMLFPU-OKZBNKHCSA-N 2 0 339.499 2.389 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497152337 1102036124 /nfs/dbraw/zinc/03/61/24/1102036124.db2.gz AXVPQBMSGVAOSR-WBMJQRKESA-N 2 0 325.403 2.043 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]C[C@H]2CCCOC2)ccc2c[nH+]cn21 ZINC001497220080 1102145215 /nfs/dbraw/zinc/14/52/15/1102145215.db2.gz IIDORLJJDNTHGG-GOEBONIOSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497256829 1102205462 /nfs/dbraw/zinc/20/54/62/1102205462.db2.gz QGKBYGLMYLZURQ-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001497311022 1102295818 /nfs/dbraw/zinc/29/58/18/1102295818.db2.gz GGKSYZJGNCICBB-BBRMVZONSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1ccc(OCC[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001447298413 1102395732 /nfs/dbraw/zinc/39/57/32/1102395732.db2.gz MEHJUDYUARXXJO-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001497445544 1102500758 /nfs/dbraw/zinc/50/07/58/1102500758.db2.gz WJOXRNYYZDOQMM-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1cnc(C)cn1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497500559 1102588014 /nfs/dbraw/zinc/58/80/14/1102588014.db2.gz IOSSHFUYLULUIX-AEFFLSMTSA-N 2 0 347.507 2.159 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](Cc3conc3C)C2)C1 ZINC001447449679 1102672784 /nfs/dbraw/zinc/67/27/84/1102672784.db2.gz ZYIPQCUMTPXJJQ-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497580813 1102694683 /nfs/dbraw/zinc/69/46/83/1102694683.db2.gz YIRFJTZUESUCAP-SHCNBLLESA-N 2 0 330.476 2.025 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001497614838 1102753877 /nfs/dbraw/zinc/75/38/77/1102753877.db2.gz KHWCQZKELRMXKH-PYTPGESOSA-N 2 0 333.451 2.380 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001497622293 1102765915 /nfs/dbraw/zinc/76/59/15/1102765915.db2.gz YSMYORDFCHFARO-VOTSOKGWSA-N 2 0 344.503 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2conc2CC)CC1 ZINC001447564630 1102871625 /nfs/dbraw/zinc/87/16/25/1102871625.db2.gz LKGVZFUWJJKRLK-UHFFFAOYSA-N 2 0 336.480 2.050 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]C/C(Cl)=C/Cl)C2)CC1 ZINC001447803963 1103365655 /nfs/dbraw/zinc/36/56/55/1103365655.db2.gz ITDYRNJTJPGVKX-JYRVWZFOSA-N 2 0 334.291 2.132 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001494083028 1103495250 /nfs/dbraw/zinc/49/52/50/1103495250.db2.gz LICPYNYROJKQRD-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447907804 1103570265 /nfs/dbraw/zinc/57/02/65/1103570265.db2.gz KSCHMGHUSXJNOU-SJORKVTESA-N 2 0 346.519 2.493 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001447933286 1103632915 /nfs/dbraw/zinc/63/29/15/1103632915.db2.gz NRKJJDUYLFDILK-CHWSQXEVSA-N 2 0 327.419 2.288 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC001494667446 1104254826 /nfs/dbraw/zinc/25/48/26/1104254826.db2.gz HXMXANZJVPUNAK-ILXRZTDVSA-N 2 0 329.435 2.049 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC/C=C/c3ccccc3)C2)C1 ZINC001494736738 1104317238 /nfs/dbraw/zinc/31/72/38/1104317238.db2.gz NEFYOBKGCRPMHF-GBSQEQHRSA-N 2 0 327.472 2.232 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)o1 ZINC001494863577 1104470384 /nfs/dbraw/zinc/47/03/84/1104470384.db2.gz MZPZVOGIRFHFRP-MRXNPFEDSA-N 2 0 336.480 2.056 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccc(C)cc1 ZINC001494982056 1104625499 /nfs/dbraw/zinc/62/54/99/1104625499.db2.gz VRICTJHZSRVNSH-PMACEKPBSA-N 2 0 343.515 2.364 10 0 EEAERP CCN1CCO[C@@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001449564688 1104669918 /nfs/dbraw/zinc/66/99/18/1104669918.db2.gz SKHIHBDBBBNYJT-MRXNPFEDSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001480598037 1106738122 /nfs/dbraw/zinc/73/81/22/1106738122.db2.gz XZBMIZLJOZTRNW-SJORKVTESA-N 2 0 331.504 2.226 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)[NH+](C)C ZINC001498056503 1106853621 /nfs/dbraw/zinc/85/36/21/1106853621.db2.gz XBKQXTSIFQLXMW-KKUMJFAQSA-N 2 0 333.467 2.492 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001480682433 1106873816 /nfs/dbraw/zinc/87/38/16/1106873816.db2.gz GCVVTOYFKOSKFQ-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498084893 1106901398 /nfs/dbraw/zinc/90/13/98/1106901398.db2.gz JDOPBQVICVJDDM-IUIKQTSFSA-N 2 0 337.414 2.141 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001480701514 1106914649 /nfs/dbraw/zinc/91/46/49/1106914649.db2.gz LNRSOPHFNUTCLZ-GJZGRUSLSA-N 2 0 334.464 2.021 10 0 EEAERP C[C@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001480716568 1106948627 /nfs/dbraw/zinc/94/86/27/1106948627.db2.gz KTQUPNYVRXWBPF-YJBOKZPZSA-N 2 0 335.467 2.135 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001480723096 1106969931 /nfs/dbraw/zinc/96/99/31/1106969931.db2.gz BADPTYBQFSSDEJ-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)c2ccc3c[nH+]cn3c2C)co1 ZINC001480776253 1107097789 /nfs/dbraw/zinc/09/77/89/1107097789.db2.gz LKTIOCLHPAJDEO-LBPRGKRZSA-N 2 0 341.415 2.237 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2([NH+](C)C)CCC2)on1 ZINC001480826320 1107205189 /nfs/dbraw/zinc/20/51/89/1107205189.db2.gz PLFOWJLHJFEQEX-MRXNPFEDSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)[NH+]1CCCCC1 ZINC001493163445 1107623940 /nfs/dbraw/zinc/62/39/40/1107623940.db2.gz VVTLGNCMAYRTIT-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[C@@H](C)n2ccnc2)o1 ZINC001498620165 1107825276 /nfs/dbraw/zinc/82/52/76/1107825276.db2.gz HUXXQRPNLDJXPQ-HIFRSBDPSA-N 2 0 333.436 2.330 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001498637893 1107862600 /nfs/dbraw/zinc/86/26/00/1107862600.db2.gz YJIJQSMBNYOEKZ-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498654709 1107902283 /nfs/dbraw/zinc/90/22/83/1107902283.db2.gz HWWMELVKFQYOBO-INIZCTEOSA-N 2 0 337.895 2.272 10 0 EEAERP CN(CCC[NH2+]Cc1csc(C2CC2)n1)C(=O)C[NH+]1CCCC1 ZINC001498656391 1107906358 /nfs/dbraw/zinc/90/63/58/1107906358.db2.gz ZSGDQCPZEKFAGL-UHFFFAOYSA-N 2 0 336.505 2.054 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nc(C)cs1 ZINC001498659160 1107912622 /nfs/dbraw/zinc/91/26/22/1107912622.db2.gz VTEVFXOBHGKYMI-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001498788479 1108105766 /nfs/dbraw/zinc/10/57/66/1108105766.db2.gz GYLZAHZDAKDHIA-SFHVURJKSA-N 2 0 339.443 2.332 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001493436065 1108154524 /nfs/dbraw/zinc/15/45/24/1108154524.db2.gz PTESDUMSAOMPRM-MRXNPFEDSA-N 2 0 327.472 2.424 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)C1([NH+](C)C)CCC1 ZINC001493574900 1108341891 /nfs/dbraw/zinc/34/18/91/1108341891.db2.gz NXQSJSZZDRVQOU-UHFFFAOYSA-N 2 0 329.897 2.434 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1OC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493601365 1108386179 /nfs/dbraw/zinc/38/61/79/1108386179.db2.gz YHDXAWVVSFRJML-SFHVURJKSA-N 2 0 345.487 2.260 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC001498991572 1108425717 /nfs/dbraw/zinc/42/57/17/1108425717.db2.gz PVHXFDFVHZFDDV-ZFWWWQNUSA-N 2 0 329.435 2.097 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001463643890 1110378180 /nfs/dbraw/zinc/37/81/80/1110378180.db2.gz SWFMGSRBWJGYFG-MSOLQXFVSA-N 2 0 333.451 2.374 10 0 EEAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001473876458 1110583240 /nfs/dbraw/zinc/58/32/40/1110583240.db2.gz MKQLTRCWEIFJIG-UHFFFAOYSA-N 2 0 346.471 2.271 10 0 EEAERP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)CC1 ZINC001479393959 1110690588 /nfs/dbraw/zinc/69/05/88/1110690588.db2.gz QBXFWETXVCNLTC-KESTWPANSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001499480959 1112312172 /nfs/dbraw/zinc/31/21/72/1112312172.db2.gz KTFFROYEXPXULR-WMZOPIPTSA-N 2 0 348.491 2.080 10 0 EEAERP COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)ccc1C ZINC001499922933 1112542574 /nfs/dbraw/zinc/54/25/74/1112542574.db2.gz PAQFAYCRUGVESB-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP Cc1ccncc1C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001500012903 1112579055 /nfs/dbraw/zinc/57/90/55/1112579055.db2.gz NWXPJCPJDXFOHN-UHFFFAOYSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001500405523 1112807056 /nfs/dbraw/zinc/80/70/56/1112807056.db2.gz YFUJEWDGNGHCED-IBGZPJMESA-N 2 0 348.491 2.187 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(C)CCC[NH+](Cc3cccnc3)C2)C1 ZINC001500546770 1112937014 /nfs/dbraw/zinc/93/70/14/1112937014.db2.gz HEPVNTTXKCRMNG-PXNSSMCTSA-N 2 0 344.503 2.142 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001500613183 1112976553 /nfs/dbraw/zinc/97/65/53/1112976553.db2.gz CHXKLNBASYKTDR-ZIAGYGMSSA-N 2 0 337.430 2.150 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1)[NH+]1CCCCC1 ZINC001501568808 1113385665 /nfs/dbraw/zinc/38/56/65/1113385665.db2.gz PCJHWNFELQKQMP-MRXNPFEDSA-N 2 0 348.491 2.267 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001501568340 1113385698 /nfs/dbraw/zinc/38/56/98/1113385698.db2.gz KBRLGHUTHDLDJW-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001501874417 1113507121 /nfs/dbraw/zinc/50/71/21/1113507121.db2.gz HWELSSLQUVPSNI-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC001502839365 1113831058 /nfs/dbraw/zinc/83/10/58/1113831058.db2.gz WWNIFTFBRKLXKF-KRWDZBQOSA-N 2 0 332.492 2.139 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001505432820 1113965958 /nfs/dbraw/zinc/96/59/58/1113965958.db2.gz TWRXJCSYRPYYLO-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506505345 1114657409 /nfs/dbraw/zinc/65/74/09/1114657409.db2.gz OABRGQROGTZQSK-WBVHZDCISA-N 2 0 339.499 2.485 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001506521441 1114670550 /nfs/dbraw/zinc/67/05/50/1114670550.db2.gz FLIJKIKHWCVXOV-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP CCCCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001506749816 1114863456 /nfs/dbraw/zinc/86/34/56/1114863456.db2.gz AWDPHBVWLIXOTM-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1)C1CCC1 ZINC001506886861 1114950977 /nfs/dbraw/zinc/95/09/77/1114950977.db2.gz SRJSQNQGMMVVDG-UYTYNIKBSA-N 2 0 333.520 2.391 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001507115418 1115115974 /nfs/dbraw/zinc/11/59/74/1115115974.db2.gz ADDPYQCSUWCDDI-YDHLFZDLSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001507149425 1115134709 /nfs/dbraw/zinc/13/47/09/1115134709.db2.gz WTEJAUWPHFCKTN-PXNSSMCTSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001507291353 1115176721 /nfs/dbraw/zinc/17/67/21/1115176721.db2.gz VCHKYOYAZVQRPL-FUHWJXTLSA-N 2 0 349.523 2.193 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)CN1C(=O)CC[NH+](C)C ZINC001507316800 1115188642 /nfs/dbraw/zinc/18/86/42/1115188642.db2.gz DRMZICBVZDQOQJ-NVXWUHKLSA-N 2 0 347.507 2.029 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C1 ZINC001507451313 1115276657 /nfs/dbraw/zinc/27/66/57/1115276657.db2.gz OZFMEMHRWFSBQY-GFCCVEGCSA-N 2 0 336.307 2.474 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001507453385 1115278831 /nfs/dbraw/zinc/27/88/31/1115278831.db2.gz HGKPHQVEWCCIFM-AWEZNQCLSA-N 2 0 331.451 2.199 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567973317 1124211694 /nfs/dbraw/zinc/21/16/94/1124211694.db2.gz DLKXQCUEPWEZRP-CABCVRRESA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567985103 1124217264 /nfs/dbraw/zinc/21/72/64/1124217264.db2.gz AFFFHPDJGZPEPM-HOCLYGCPSA-N 2 0 340.899 2.306 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001568087779 1124292303 /nfs/dbraw/zinc/29/23/03/1124292303.db2.gz NOOZWNDFSBKOFB-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001568113333 1124309208 /nfs/dbraw/zinc/30/92/08/1124309208.db2.gz FKAZKKADDYYTHQ-SHTZXODSSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568667155 1124680982 /nfs/dbraw/zinc/68/09/82/1124680982.db2.gz CIYQDTSMMQGLKD-ZBFHGGJFSA-N 2 0 344.459 2.297 10 0 EEAERP CO[C@H](C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001568674566 1124687713 /nfs/dbraw/zinc/68/77/13/1124687713.db2.gz QCTXVJFVFVPINH-VQIMIIECSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568678533 1124690278 /nfs/dbraw/zinc/69/02/78/1124690278.db2.gz UABFEHOKPAOZPJ-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568679192 1124691538 /nfs/dbraw/zinc/69/15/38/1124691538.db2.gz HWMIUDBCLMNDOX-JQHSSLGASA-N 2 0 335.467 2.176 10 0 EEAERP COc1cc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001568949431 1124982882 /nfs/dbraw/zinc/98/28/82/1124982882.db2.gz CIZJLALKPVRWNZ-XDXAGZTOSA-N 2 0 345.487 2.107 10 0 EEAERP CN(CCC[NH2+]CC[C@H]1CCCCO1)C(=O)C12CCC[NH+]1CCC2 ZINC001569218368 1125173224 /nfs/dbraw/zinc/17/32/24/1125173224.db2.gz SWRDZFULLJTZDJ-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CN(CC[NH2+]CCC[NH+](C)C)Cc1ccccc1Br ZINC000053438088 214182544 /nfs/dbraw/zinc/18/25/44/214182544.db2.gz SORKRLUUPNQKPH-UHFFFAOYSA-N 2 0 328.298 2.422 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)C2 ZINC000245967242 283162183 /nfs/dbraw/zinc/16/21/83/283162183.db2.gz NPFAERBUGJKQPV-QCLGFWRNSA-N 2 0 334.508 2.127 10 0 EEAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000423106601 283467395 /nfs/dbraw/zinc/46/73/95/283467395.db2.gz JUFIIGUZCGZGPE-SWLSCSKDSA-N 2 0 338.883 2.380 10 0 EEAERP C[C@H]([NH2+]CCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000037759717 213166100 /nfs/dbraw/zinc/16/61/00/213166100.db2.gz RQOVGIIYCKMCGK-ZDUSSCGKSA-N 2 0 326.282 2.347 10 0 EEAERP C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000358116371 296061079 /nfs/dbraw/zinc/06/10/79/296061079.db2.gz SSQYPXDEGZKTFC-AEFFLSMTSA-N 2 0 334.508 2.297 10 0 EEAERP Fc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051084 240343629 /nfs/dbraw/zinc/34/36/29/240343629.db2.gz ZVDJPTCWAZYWNR-APHBMKBZSA-N 2 0 328.378 2.393 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1OC ZINC000423065843 240348557 /nfs/dbraw/zinc/34/85/57/240348557.db2.gz VHKGIZKDIWOSSB-ZDUSSCGKSA-N 2 0 331.254 2.301 10 0 EEAERP C[C@@H](O)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCC[C@H](C)O)C2)C1 ZINC000352027949 296170369 /nfs/dbraw/zinc/17/03/69/296170369.db2.gz NPSCTUVUYMPHHM-CEXWTWQISA-N 2 0 326.525 2.486 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000266003575 248019497 /nfs/dbraw/zinc/01/94/97/248019497.db2.gz QGACEYHEFUHAQA-CVEARBPZSA-N 2 0 333.476 2.182 10 0 EEAERP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000268598723 252055009 /nfs/dbraw/zinc/05/50/09/252055009.db2.gz UIZWVBNWTSEMMD-IBGZPJMESA-N 2 0 344.503 2.387 10 0 EEAERP O=C(C[C@H]1CCC[NH2+]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328630162 258029188 /nfs/dbraw/zinc/02/91/88/258029188.db2.gz JCJCGZMPAFQBCM-CVEARBPZSA-N 2 0 333.501 2.361 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)CC(C)C ZINC000173687913 152188489 /nfs/dbraw/zinc/18/84/89/152188489.db2.gz FEBRRDBWRGAGHN-QZTJIDSGSA-N 2 0 336.524 2.399 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)CN2)CC[N@@H+]1Cc1ccccc1 ZINC000263003110 152354824 /nfs/dbraw/zinc/35/48/24/152354824.db2.gz OYACLHAXFVSZMI-FVQBIDKESA-N 2 0 337.414 2.153 10 0 EEAERP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261548077 160398821 /nfs/dbraw/zinc/39/88/21/160398821.db2.gz JBOWKVAWGYXWGP-ROUUACIJSA-N 2 0 327.472 2.109 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000104215300 159283386 /nfs/dbraw/zinc/28/33/86/159283386.db2.gz SBXDMIDZXQMPGL-IBGZPJMESA-N 2 0 345.487 2.009 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105133858 159296673 /nfs/dbraw/zinc/29/66/73/159296673.db2.gz ORHKNIBBKFPQQL-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP C[N@H+]1C[C@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@H]2C1 ZINC000193639273 160184735 /nfs/dbraw/zinc/18/47/35/160184735.db2.gz CDZNPUGQEGNCPW-OKILXGFUSA-N 2 0 332.835 2.426 10 0 EEAERP CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248470221 160348293 /nfs/dbraw/zinc/34/82/93/160348293.db2.gz HSHOOPFPLXCOAZ-RUBXOHKTSA-N 2 0 333.520 2.438 10 0 EEAERP C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000366284330 286866718 /nfs/dbraw/zinc/86/67/18/286866718.db2.gz POCFSJGSVNOKHN-AOCRQIFASA-N 2 0 336.524 2.425 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000346370484 161367059 /nfs/dbraw/zinc/36/70/59/161367059.db2.gz KWDTYZMEEBJOLJ-SJLPKXTDSA-N 2 0 344.503 2.041 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000356062939 163320657 /nfs/dbraw/zinc/32/06/57/163320657.db2.gz RSKMIPCTZYQHGA-UHFFFAOYSA-N 2 0 332.492 2.376 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000360438135 164310452 /nfs/dbraw/zinc/31/04/52/164310452.db2.gz VNHCTICBOCCXEP-INIZCTEOSA-N 2 0 342.487 2.373 10 0 EEAERP CC[NH2+]Cc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364213866 165053397 /nfs/dbraw/zinc/05/33/97/165053397.db2.gz RIASYFAEDMEHEG-FRQCXROJSA-N 2 0 331.460 2.267 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000272686920 269008864 /nfs/dbraw/zinc/00/88/64/269008864.db2.gz BQLNQRVSGDVMRG-ZYSHUDEJSA-N 2 0 342.487 2.381 10 0 EEAERP COCC[N@@H+]1CC[C@@H](Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000274369672 269028383 /nfs/dbraw/zinc/02/83/83/269028383.db2.gz KPRVPUMXMFEBPE-QGZVFWFLSA-N 2 0 348.491 2.018 10 0 EEAERP CC(C)C[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274334585 274188410 /nfs/dbraw/zinc/18/84/10/274188410.db2.gz ZZCDVMBZNVDIRR-QGZVFWFLSA-N 2 0 332.492 2.392 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(C)nc3ccccn3c2=O)[C@@H](C)C1 ZINC000289397607 275113616 /nfs/dbraw/zinc/11/36/16/275113616.db2.gz RYZSHXFHPHUFAY-MAUKXSAKSA-N 2 0 342.487 2.208 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179152331 279202235 /nfs/dbraw/zinc/20/22/35/279202235.db2.gz QDOPDSDUFQQALK-ZWKOTPCHSA-N 2 0 330.476 2.215 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C2 ZINC000297030261 294133768 /nfs/dbraw/zinc/13/37/68/294133768.db2.gz LXIDKVLEFQIWEQ-JEQQUTEPSA-N 2 0 342.487 2.356 10 0 EEAERP O=C(CCC1CC[NH2+]CC1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186575592 303577140 /nfs/dbraw/zinc/57/71/40/303577140.db2.gz FGMOFMYCJVTZGK-IBGZPJMESA-N 2 0 344.503 2.332 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333111274 312094114 /nfs/dbraw/zinc/09/41/14/312094114.db2.gz DZYDNHKAUPXGBF-MRXNPFEDSA-N 2 0 345.491 2.010 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000333582108 312169555 /nfs/dbraw/zinc/16/95/55/312169555.db2.gz ABJNEHSZPZJURL-DZKIICNBSA-N 2 0 336.505 2.091 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000414939060 313113041 /nfs/dbraw/zinc/11/30/41/313113041.db2.gz JCGUVJDOHOQTKA-VNHYZAJKSA-N 2 0 335.448 2.009 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416875977 313344725 /nfs/dbraw/zinc/34/47/25/313344725.db2.gz RSGDPTKDEAPDCT-KDURUIRLSA-N 2 0 342.487 2.318 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416874806 313344794 /nfs/dbraw/zinc/34/47/94/313344794.db2.gz PYQVOKGAWHCYSI-RTBURBONSA-N 2 0 342.487 2.176 10 0 EEAERP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416900581 313353988 /nfs/dbraw/zinc/35/39/88/313353988.db2.gz XDAUYVHTSWXCOJ-QGZVFWFLSA-N 2 0 330.476 2.081 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417007812 313392254 /nfs/dbraw/zinc/39/22/54/313392254.db2.gz IAVZIYGPSUFTNU-CVEARBPZSA-N 2 0 332.473 2.350 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)Cc1ccccc1 ZINC000417010113 313392868 /nfs/dbraw/zinc/39/28/68/313392868.db2.gz OPCIXKPUKJNRJS-WDSOQIARSA-N 2 0 346.519 2.237 10 0 EEAERP CN(C(=O)NCc1cccc(C[NH+](C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417061671 313410867 /nfs/dbraw/zinc/41/08/67/313410867.db2.gz FZLMNMJTHITVBB-JWTNVVGKSA-N 2 0 330.476 2.173 10 0 EEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000417696903 313568787 /nfs/dbraw/zinc/56/87/87/313568787.db2.gz VXOURPDXHKDYCN-VKJFTORMSA-N 2 0 330.476 2.343 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418162881 313730832 /nfs/dbraw/zinc/73/08/32/313730832.db2.gz DDRISWNZCRXVPE-KANFNMMFSA-N 2 0 344.503 2.319 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418579826 313852586 /nfs/dbraw/zinc/85/25/86/313852586.db2.gz RXZOZGABFNKNEG-QAPCUYQASA-N 2 0 332.492 2.278 10 0 EEAERP c1nc(-c2ccncc2)sc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000440338865 315124372 /nfs/dbraw/zinc/12/43/72/315124372.db2.gz LSEGCNALOBMJBP-UHFFFAOYSA-N 2 0 332.473 2.407 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)[C@H]2CCCO2)CC1 ZINC000527955778 317293205 /nfs/dbraw/zinc/29/32/05/317293205.db2.gz RZJFPHYVYMFVGY-LSTHTHJFSA-N 2 0 332.488 2.212 10 0 EEAERP CN(CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000541857466 318112560 /nfs/dbraw/zinc/11/25/60/318112560.db2.gz GCFTVCCABKOYOR-KRWDZBQOSA-N 2 0 342.443 2.454 10 0 EEAERP CN(CCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000542785139 318139904 /nfs/dbraw/zinc/13/99/04/318139904.db2.gz WSPNIGKSFSOXAL-GOSISDBHSA-N 2 0 344.434 2.466 10 0 EEAERP C[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543688603 318165944 /nfs/dbraw/zinc/16/59/44/318165944.db2.gz DNZDXAACAUILTF-MJGOQNOKSA-N 2 0 346.519 2.490 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000565544690 319192763 /nfs/dbraw/zinc/19/27/63/319192763.db2.gz RKWAMWYHKZXNEK-IKGGRYGDSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000566610130 319304804 /nfs/dbraw/zinc/30/48/04/319304804.db2.gz AYNUXVHTZKSNGD-GXOAENINSA-N 2 0 344.503 2.293 10 0 EEAERP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000569349561 319568614 /nfs/dbraw/zinc/56/86/14/319568614.db2.gz NRKJOEVTIUTVDQ-DZOHQFGASA-N 2 0 348.512 2.458 10 0 EEAERP Fc1ccc(-c2nnc3n2C[C@H]([NH2+]C2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)cc1 ZINC000571633267 319772306 /nfs/dbraw/zinc/77/23/06/319772306.db2.gz ZOJBIJDRRBBBHF-LVYZTWJOSA-N 2 0 341.434 2.272 10 0 EEAERP CCC(C)(C)C1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000581871656 324332354 /nfs/dbraw/zinc/33/23/54/324332354.db2.gz QVIMOVORHVBWQZ-ABHNRTSZSA-N 2 0 325.541 2.179 10 0 EEAERP C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000085393891 462543906 /nfs/dbraw/zinc/54/39/06/462543906.db2.gz RUWNBTVDSITQQS-AEFFLSMTSA-N 2 0 348.535 2.435 10 0 EEAERP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339270171 465178907 /nfs/dbraw/zinc/17/89/07/465178907.db2.gz LYSFMDVTWDHSBS-UHFFFAOYSA-N 2 0 332.492 2.480 10 0 EEAERP COc1cc2c(cc1C[NH2+]CCCC[NH+]1CCOCC1)O[C@H](C)C2 ZINC000060996519 462572971 /nfs/dbraw/zinc/57/29/71/462572971.db2.gz ODWGKPKZURBSMW-OAHLLOKOSA-N 2 0 334.460 2.221 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000113583554 462604549 /nfs/dbraw/zinc/60/45/49/462604549.db2.gz YNNITHVYIXDUHU-IEBWSBKVSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H](c2nccn2C)C(F)(F)F)CC[N@@H+]1C ZINC000579128085 468315454 /nfs/dbraw/zinc/31/54/54/468315454.db2.gz JDWNDOSQWJJLGG-UPJWGTAASA-N 2 0 346.397 2.397 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](CC)C1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065423575 462769018 /nfs/dbraw/zinc/76/90/18/462769018.db2.gz KZTQBOGBQFAWPM-OAHLLOKOSA-N 2 0 327.476 2.299 10 0 EEAERP O[C@@H](COc1ccccc1C[NH+]1CCCC1)C[NH+]1CCSCC1 ZINC000095522930 463101794 /nfs/dbraw/zinc/10/17/94/463101794.db2.gz DKLCSRRGCDRJSM-QGZVFWFLSA-N 2 0 336.501 2.071 10 0 EEAERP Cc1cccc(N2CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC2)n1 ZINC000158996754 463263062 /nfs/dbraw/zinc/26/30/62/463263062.db2.gz ZFWTWRHUEQBZPI-UHFFFAOYSA-N 2 0 347.507 2.340 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000105075297 463435650 /nfs/dbraw/zinc/43/56/50/463435650.db2.gz BSKNZKDRFGXTRR-QZTJIDSGSA-N 2 0 330.476 2.169 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[N@@H+]1C1CC1 ZINC000125893799 463588697 /nfs/dbraw/zinc/58/86/97/463588697.db2.gz AGHIOPBFGCIOFR-XJKSGUPXSA-N 2 0 348.466 2.312 10 0 EEAERP CN(C)c1ccc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000178109897 463846271 /nfs/dbraw/zinc/84/62/71/463846271.db2.gz RPGMHHHTQNWSSC-YJBOKZPZSA-N 2 0 330.476 2.107 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccc1F ZINC000261895742 463890714 /nfs/dbraw/zinc/89/07/14/463890714.db2.gz HCDDWEZUYFERSA-BHIYHBOVSA-N 3 0 335.467 2.134 10 0 EEAERP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261912231 463897771 /nfs/dbraw/zinc/89/77/71/463897771.db2.gz XSKQJZMSZPARSU-JXFKEZNVSA-N 2 0 329.488 2.484 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262212996 463974088 /nfs/dbraw/zinc/97/40/88/463974088.db2.gz YJJSIWKUFJHWDJ-UHOSZYNNSA-N 2 0 345.487 2.164 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172232734 464023418 /nfs/dbraw/zinc/02/34/18/464023418.db2.gz WJKKBBWRCGJQAR-RTBURBONSA-N 2 0 342.487 2.141 10 0 EEAERP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccccc2)cc1OC ZINC000263246577 464070944 /nfs/dbraw/zinc/07/09/44/464070944.db2.gz PIKCQKCYZWPNQH-WMZOPIPTSA-N 2 0 342.439 2.041 10 0 EEAERP CC1CC[NH+](CCN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000188318359 464252019 /nfs/dbraw/zinc/25/20/19/464252019.db2.gz FFURJJCWZXHKEI-OAQYLSRUSA-N 2 0 345.531 2.287 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000175520990 464566273 /nfs/dbraw/zinc/56/62/73/464566273.db2.gz YFKNJPHZJHJPIU-UHFFFAOYSA-N 2 0 338.471 2.418 10 0 EEAERP CCC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000182513304 464672435 /nfs/dbraw/zinc/67/24/35/464672435.db2.gz XQBXEJLDSRPBDP-RTBURBONSA-N 2 0 347.503 2.018 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247971912 464719635 /nfs/dbraw/zinc/71/96/35/464719635.db2.gz FUKRZGCXRYHZNX-MSOLQXFVSA-N 2 0 332.492 2.413 10 0 EEAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248642221 464777853 /nfs/dbraw/zinc/77/78/53/464777853.db2.gz CZHGILNXXIRRDY-OALUTQOASA-N 2 0 333.476 2.379 10 0 EEAERP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000275758376 464787988 /nfs/dbraw/zinc/78/79/88/464787988.db2.gz QPHWPEAJGXIXAD-OAHLLOKOSA-N 2 0 331.489 2.363 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccccc2n1 ZINC000266716484 464798398 /nfs/dbraw/zinc/79/83/98/464798398.db2.gz RSUMCVFYKDPILD-HOTGVXAUSA-N 2 0 327.432 2.103 10 0 EEAERP COCc1cnc(CN2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000342932293 465395977 /nfs/dbraw/zinc/39/59/77/465395977.db2.gz ALUVHQAIZFXEOZ-UHFFFAOYSA-N 2 0 339.505 2.366 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000579941519 468437784 /nfs/dbraw/zinc/43/77/84/468437784.db2.gz LTQGDOVXPLZMFW-KRWDZBQOSA-N 2 0 330.476 2.159 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CCOC)CC2)cc1 ZINC000299230888 465656321 /nfs/dbraw/zinc/65/63/21/465656321.db2.gz GLJPJUKJAXQTRQ-UHFFFAOYSA-N 2 0 347.503 2.323 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000353288109 465772675 /nfs/dbraw/zinc/77/26/75/465772675.db2.gz GFACRDQPAHICSS-FUMNGEBKSA-N 2 0 337.552 2.445 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000555199890 468462523 /nfs/dbraw/zinc/46/25/23/468462523.db2.gz RLDMELLKOAYBRB-MRXNPFEDSA-N 2 0 332.492 2.451 10 0 EEAERP COc1cc(C)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)n1 ZINC000349081959 465957347 /nfs/dbraw/zinc/95/73/47/465957347.db2.gz XDENAJOKMXPMFM-UHFFFAOYSA-N 2 0 346.519 2.166 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349799443 466246028 /nfs/dbraw/zinc/24/60/28/466246028.db2.gz IUIALSKICGNENK-SJORKVTESA-N 2 0 346.475 2.295 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349805516 466250032 /nfs/dbraw/zinc/25/00/32/466250032.db2.gz YAIKQQCIDDKKQF-UIBIWLFHSA-N 2 0 336.524 2.231 10 0 EEAERP CCOC(=O)c1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000600165213 468481643 /nfs/dbraw/zinc/48/16/43/468481643.db2.gz IJYVZEPAMSMJCF-INIZCTEOSA-N 2 0 331.460 2.422 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367613959 466448587 /nfs/dbraw/zinc/44/85/87/466448587.db2.gz GOBUVJUDIBWGJT-VDHUWJSZSA-N 2 0 334.460 2.200 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361379 466506195 /nfs/dbraw/zinc/50/61/95/466506195.db2.gz HFHDKVWNEPXIDZ-QFBILLFUSA-N 2 0 329.488 2.376 10 0 EEAERP c1ccc([C@H](CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422733911 466680525 /nfs/dbraw/zinc/68/05/25/466680525.db2.gz RYVGHURSHPPONB-UFYCRDLUSA-N 2 0 329.488 2.180 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423406344 466742030 /nfs/dbraw/zinc/74/20/30/466742030.db2.gz URISQXWHHSCAGR-WBAXXEDZSA-N 2 0 329.448 2.006 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000423494964 466757905 /nfs/dbraw/zinc/75/79/05/466757905.db2.gz SYTNVQHBKKXZNN-PXNSSMCTSA-N 2 0 331.504 2.050 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417243660 466813332 /nfs/dbraw/zinc/81/33/32/466813332.db2.gz WIWIDWBSKUPWJO-VQIMIIECSA-N 2 0 336.524 2.282 10 0 EEAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417553653 466882534 /nfs/dbraw/zinc/88/25/34/466882534.db2.gz HOXSTXGYEYLMDP-PKOBYXMFSA-N 2 0 336.524 2.426 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[C@@H]1c1ccccc1 ZINC000417947022 466998836 /nfs/dbraw/zinc/99/88/36/466998836.db2.gz RSJOXIGEMTXSSG-RDGPPVDQSA-N 2 0 342.487 2.073 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417987912 467012596 /nfs/dbraw/zinc/01/25/96/467012596.db2.gz JOAAKSQQPDHLJZ-QIZIZJAASA-N 2 0 346.475 2.008 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000418112029 467048426 /nfs/dbraw/zinc/04/84/26/467048426.db2.gz HLBVFDHXLUMGRO-HZPDHXFCSA-N 2 0 348.491 2.006 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000418432150 467110345 /nfs/dbraw/zinc/11/03/45/467110345.db2.gz SJRPJLUWGCOFQN-ROUUACIJSA-N 2 0 330.476 2.060 10 0 EEAERP CN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418542937 467126387 /nfs/dbraw/zinc/12/63/87/467126387.db2.gz ARMFELIRULMQMK-QZTJIDSGSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418667319 467143284 /nfs/dbraw/zinc/14/32/84/467143284.db2.gz FGYAKSYJDAOBPV-AEFFLSMTSA-N 2 0 332.492 2.420 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433316170 467317288 /nfs/dbraw/zinc/31/72/88/467317288.db2.gz FALNSPJRWKGOOO-OAHLLOKOSA-N 2 0 331.464 2.033 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1C[NH+](C)C[C@H]1C ZINC000414274678 467396773 /nfs/dbraw/zinc/39/67/73/467396773.db2.gz VHEHVTWNAYZIAC-VBSBHUPXSA-N 2 0 331.504 2.063 10 0 EEAERP COC(=O)c1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420413124 467400169 /nfs/dbraw/zinc/40/01/69/467400169.db2.gz ZTAVZEZYFRTSTD-FUHWJXTLSA-N 2 0 332.444 2.316 10 0 EEAERP C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000397587762 467443302 /nfs/dbraw/zinc/44/33/02/467443302.db2.gz KIPIUEDZHNAVMS-HKUYNNGSSA-N 2 0 331.504 2.134 10 0 EEAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415043526 467474492 /nfs/dbraw/zinc/47/44/92/467474492.db2.gz RPHHKGBSEFFHMF-SMDDNHRTSA-N 2 0 345.256 2.487 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407352477 467484234 /nfs/dbraw/zinc/48/42/34/467484234.db2.gz CFDPLJDFCPSAPD-IPMKNSEASA-N 2 0 327.472 2.298 10 0 EEAERP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)nn1 ZINC000415124919 467495968 /nfs/dbraw/zinc/49/59/68/467495968.db2.gz KMKLFGCZWVGHPG-SFHVURJKSA-N 2 0 341.459 2.363 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415197303 467516338 /nfs/dbraw/zinc/51/63/38/467516338.db2.gz AQMBJWPNEIHPRZ-GJZGRUSLSA-N 2 0 334.464 2.055 10 0 EEAERP CCC[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCOC ZINC000431813163 467539628 /nfs/dbraw/zinc/53/96/28/467539628.db2.gz WAFCHXHOOITQHQ-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000449065588 467616321 /nfs/dbraw/zinc/61/63/21/467616321.db2.gz USQNWTPMFLVJIC-IBGZPJMESA-N 2 0 345.531 2.394 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000449328098 467631287 /nfs/dbraw/zinc/63/12/87/467631287.db2.gz IBGRTIVYABCSJC-QGZVFWFLSA-N 2 0 334.504 2.459 10 0 EEAERP COC[C@@](C)(O)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449387455 467635950 /nfs/dbraw/zinc/63/59/50/467635950.db2.gz XDSZMNFAYPBUJP-FQEVSTJZSA-N 2 0 349.519 2.094 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396715 467638273 /nfs/dbraw/zinc/63/82/73/467638273.db2.gz MKDKTTMKGOPPFW-TYPHKJRUSA-N 2 0 345.531 2.333 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c(OCC[NH+](C)C)c1 ZINC000528680317 467726968 /nfs/dbraw/zinc/72/69/68/467726968.db2.gz NMHRAOPGAXANMN-QGZVFWFLSA-N 2 0 346.475 2.342 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367676 467853440 /nfs/dbraw/zinc/85/34/40/467853440.db2.gz SZQREKKLGBSPNV-QGZVFWFLSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000515341940 467986467 /nfs/dbraw/zinc/98/64/67/467986467.db2.gz CGUFYICWJCRHTF-YVWKXTFCSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000515341938 467986563 /nfs/dbraw/zinc/98/65/63/467986563.db2.gz CGUFYICWJCRHTF-KPFFTGBYSA-N 2 0 344.503 2.338 10 0 EEAERP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000530710669 468003849 /nfs/dbraw/zinc/00/38/49/468003849.db2.gz SRDWPYWQGDCEQF-GJZGRUSLSA-N 2 0 348.495 2.062 10 0 EEAERP COc1ccc2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c1 ZINC000550328053 468214455 /nfs/dbraw/zinc/21/44/55/468214455.db2.gz KRQIXICPJHGHNZ-UHFFFAOYSA-N 2 0 343.471 2.414 10 0 EEAERP CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000583661318 468736469 /nfs/dbraw/zinc/73/64/69/468736469.db2.gz KGMADZLAPIFTJJ-KRWDZBQOSA-N 2 0 341.459 2.456 10 0 EEAERP C[C@@]([NH3+])(C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000571089593 468738567 /nfs/dbraw/zinc/73/85/67/468738567.db2.gz ZZRYHASWBFVZPC-HBFSDRIKSA-N 2 0 341.430 2.343 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583921207 468774330 /nfs/dbraw/zinc/77/43/30/468774330.db2.gz DGVZMATZBXFBFE-NEPXVJNWSA-N 2 0 344.503 2.337 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)oc1C ZINC000593322085 468938058 /nfs/dbraw/zinc/93/80/58/468938058.db2.gz KFPMADJNDWKKDG-IAOVAPTHSA-N 2 0 336.432 2.235 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000572499516 468942213 /nfs/dbraw/zinc/94/22/13/468942213.db2.gz FWLJCJYAMIRPLM-MSOLQXFVSA-N 2 0 328.460 2.041 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000572907961 469019050 /nfs/dbraw/zinc/01/90/50/469019050.db2.gz KOTKFNCXNVBNRC-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H](c1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1)N1CCOCC1 ZINC000562749175 469061441 /nfs/dbraw/zinc/06/14/41/469061441.db2.gz JHWJMSNVMVJOKX-RKVPGOIHSA-N 2 0 346.475 2.199 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000618554607 469386719 /nfs/dbraw/zinc/38/67/19/469386719.db2.gz QSCPACQAVHGHHC-ROUUACIJSA-N 2 0 330.476 2.217 10 0 EEAERP CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000629416341 469534801 /nfs/dbraw/zinc/53/48/01/469534801.db2.gz LBKWWUHRLVAEAU-UHFFFAOYSA-N 2 0 342.443 2.051 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000617007259 469569410 /nfs/dbraw/zinc/56/94/10/469569410.db2.gz OYMUHNVRAWGEOC-ROUUACIJSA-N 2 0 329.488 2.498 10 0 EEAERP COC(=O)CCC[NH+]1CCC(Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000613255803 469670556 /nfs/dbraw/zinc/67/05/56/469670556.db2.gz JEQUZWIFACETCF-UHFFFAOYSA-N 2 0 343.431 2.097 10 0 EEAERP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1(C)C ZINC000623488455 469672778 /nfs/dbraw/zinc/67/27/78/469672778.db2.gz SSZUBJAAVJNIJT-RBUKOAKNSA-N 2 0 331.504 2.216 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617551056 469723635 /nfs/dbraw/zinc/72/36/35/469723635.db2.gz KDZYLIKDSYREAU-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@@H](CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000626991616 469780703 /nfs/dbraw/zinc/78/07/03/469780703.db2.gz JDUUBWDBNFNDBZ-SOLBZPMBSA-N 2 0 332.492 2.337 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000627027805 469795756 /nfs/dbraw/zinc/79/57/56/469795756.db2.gz ZMRNAJNGLCTRFE-YSIASYRMSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@H](C[NH3+])NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627085252 469809860 /nfs/dbraw/zinc/80/98/60/469809860.db2.gz KQYXRYKWQAUOTQ-RNCFNFMXSA-N 2 0 333.263 2.243 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127975 469819953 /nfs/dbraw/zinc/81/99/53/469819953.db2.gz BRPJFYAMFNMPMV-INIZCTEOSA-N 2 0 334.464 2.028 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C[NH2+]1 ZINC000627208522 469844783 /nfs/dbraw/zinc/84/47/83/469844783.db2.gz YBCGXDWEBPXYOD-ZHALLVOQSA-N 2 0 344.503 2.290 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCc2nc[nH]c2C1 ZINC000614376728 469923996 /nfs/dbraw/zinc/92/39/96/469923996.db2.gz KEBIWAMEQYSNQY-GOEBONIOSA-N 2 0 330.476 2.428 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1 ZINC000628233753 470079373 /nfs/dbraw/zinc/07/93/73/470079373.db2.gz STHYHQUPDZRETO-GOSISDBHSA-N 2 0 335.517 2.353 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000621665299 470088308 /nfs/dbraw/zinc/08/83/08/470088308.db2.gz XDNOITZOPHKEJO-JCGIZDLHSA-N 2 0 333.451 2.249 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000628373580 470100095 /nfs/dbraw/zinc/10/00/95/470100095.db2.gz BDIXJSVYRMATJC-FQEVSTJZSA-N 2 0 344.455 2.330 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625297339 470114567 /nfs/dbraw/zinc/11/45/67/470114567.db2.gz LIUSRRDJFZVFES-HSALFYBXSA-N 2 0 341.499 2.355 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000634644170 470273944 /nfs/dbraw/zinc/27/39/44/470273944.db2.gz PMUROLDUTWAMSV-RTWAWAEBSA-N 2 0 346.515 2.400 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701357 470281809 /nfs/dbraw/zinc/28/18/09/470281809.db2.gz OOFYURASHREVLK-GIVPXCGWSA-N 2 0 346.515 2.400 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000634745753 470291527 /nfs/dbraw/zinc/29/15/27/470291527.db2.gz RMKMADBATTYKSE-YSIASYRMSA-N 2 0 327.472 2.109 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000638835628 470299077 /nfs/dbraw/zinc/29/90/77/470299077.db2.gz NBIZOGHPBFLJGJ-WEOZKBJRSA-N 2 0 329.488 2.388 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000633554059 470508382 /nfs/dbraw/zinc/50/83/82/470508382.db2.gz HIWPTAFEMSSOLA-YDZRNGNQSA-N 2 0 329.488 2.178 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCc2ccccc21 ZINC000649833011 470713869 /nfs/dbraw/zinc/71/38/69/470713869.db2.gz BMCMWONFCVBQOT-MRXNPFEDSA-N 2 0 341.499 2.391 10 0 EEAERP C[C@@H]([NH2+]CCCc1ncn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647327389 470883894 /nfs/dbraw/zinc/88/38/94/470883894.db2.gz ZWTAJKGRSZKSIN-SJLPKXTDSA-N 2 0 327.476 2.248 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000650724705 470952380 /nfs/dbraw/zinc/95/23/80/470952380.db2.gz KWCBKAQOGQWNSO-PKOBYXMFSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000654486484 471037281 /nfs/dbraw/zinc/03/72/81/471037281.db2.gz SEGWCYFMELDFSR-DSLXNQLJSA-N 2 0 344.503 2.289 10 0 EEAERP C[NH+]1CCC2(CC1)C[N@H+](CCCc1ccc3c(c1)CCO3)CCO2 ZINC000648072189 471077407 /nfs/dbraw/zinc/07/74/07/471077407.db2.gz QLQWFFHCQNCCDO-UHFFFAOYSA-N 2 0 330.472 2.351 10 0 EEAERP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657361405 471112976 /nfs/dbraw/zinc/11/29/76/471112976.db2.gz CVNHSDTZNZIHMF-HUUCEWRRSA-N 2 0 327.432 2.004 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000640941588 471130275 /nfs/dbraw/zinc/13/02/75/471130275.db2.gz RVGOBLUMWKAMJL-IEBWSBKVSA-N 2 0 344.503 2.210 10 0 EEAERP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)o1 ZINC000657574243 471173796 /nfs/dbraw/zinc/17/37/96/471173796.db2.gz UWPQOJHWXBVHBA-AWEZNQCLSA-N 2 0 333.480 2.340 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137169 471242631 /nfs/dbraw/zinc/24/26/31/471242631.db2.gz BRKOBBHSWJTEBQ-DOTOQJQBSA-N 2 0 330.476 2.250 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657919840 471248926 /nfs/dbraw/zinc/24/89/26/471248926.db2.gz REOXRSRXKAGYPY-QGZVFWFLSA-N 2 0 335.517 2.353 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652239011 471260679 /nfs/dbraw/zinc/26/06/79/471260679.db2.gz YVYKVKDJLLDMMX-UHFFFAOYSA-N 2 0 332.492 2.325 10 0 EEAERP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000652357240 471278336 /nfs/dbraw/zinc/27/83/36/471278336.db2.gz DIUOAWIZUYRLDX-IAQYHMDHSA-N 2 0 343.830 2.103 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000663502750 471402524 /nfs/dbraw/zinc/40/25/24/471402524.db2.gz ALUKADITCGCREC-UHFFFAOYSA-N 2 0 336.505 2.101 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000663506504 471404238 /nfs/dbraw/zinc/40/42/38/471404238.db2.gz SGNSQDQIIGEZSR-UHFFFAOYSA-N 2 0 329.488 2.256 10 0 EEAERP CCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000663559585 471426178 /nfs/dbraw/zinc/42/61/78/471426178.db2.gz FPTXHGLWQNAJMY-DLBZAZTESA-N 2 0 326.529 2.479 10 0 EEAERP C[C@@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1=CC[N@H+](C)CC1 ZINC000659037521 471479172 /nfs/dbraw/zinc/47/91/72/471479172.db2.gz JFPSKIQNCQSVMA-KDOFPFPSSA-N 2 0 344.459 2.119 10 0 EEAERP CC1CC[NH+]([C@@H](CNC(=O)NC/C=C\C[NH3+])c2ccccc2)CC1 ZINC000669402663 471479607 /nfs/dbraw/zinc/47/96/07/471479607.db2.gz YNJFASMZTIQXAW-XFHJGTJQSA-N 2 0 330.476 2.274 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669469225 471509426 /nfs/dbraw/zinc/50/94/26/471509426.db2.gz DHIQVRAQSCYDLG-GJZGRUSLSA-N 2 0 330.476 2.352 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669575137 471563542 /nfs/dbraw/zinc/56/35/42/471563542.db2.gz ISNGMPDOVXLHNM-YXWAVELNSA-N 2 0 348.535 2.425 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]C1 ZINC000659381921 471600310 /nfs/dbraw/zinc/60/03/10/471600310.db2.gz NHVAORIPFNIXMO-RBUKOAKNSA-N 2 0 341.499 2.405 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000656153086 471609927 /nfs/dbraw/zinc/60/99/27/471609927.db2.gz NLGQOSASEOILQY-ZNWBIBPKSA-N 2 0 332.488 2.371 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659433340 471625037 /nfs/dbraw/zinc/62/50/37/471625037.db2.gz AHLIFAQOSRQBJM-QXAKKESOSA-N 2 0 344.503 2.306 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000659493156 471654844 /nfs/dbraw/zinc/65/48/44/471654844.db2.gz QWFGEMSWACMZDD-NXHRZFHOSA-N 2 0 332.492 2.322 10 0 EEAERP CC(C)(C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659612112 471698747 /nfs/dbraw/zinc/69/87/47/471698747.db2.gz SUQGFGKOUUAZBO-KRWDZBQOSA-N 2 0 344.503 2.325 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000659973453 471810054 /nfs/dbraw/zinc/81/00/54/471810054.db2.gz PZJSWNQZDVFJPA-HSALFYBXSA-N 2 0 332.488 2.492 10 0 EEAERP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000664871088 471885783 /nfs/dbraw/zinc/88/57/83/471885783.db2.gz SSQGTWXWQUHYHZ-CRAIPNDOSA-N 2 0 332.492 2.189 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654307816 471903592 /nfs/dbraw/zinc/90/35/92/471903592.db2.gz KJGSELIHZMNFSJ-ZWKOTPCHSA-N 2 0 345.487 2.374 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C2CCC(C[NH3+])CC2)cc1F ZINC000665260120 471983753 /nfs/dbraw/zinc/98/37/53/471983753.db2.gz XRDGREOZMYWOOX-NTKFSPQFSA-N 2 0 335.467 2.387 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000665639300 472120369 /nfs/dbraw/zinc/12/03/69/472120369.db2.gz UHQDVIZBQXHTEQ-YESZJQIVSA-N 2 0 326.529 2.479 10 0 EEAERP CC(C)C[C@H]1CCCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665640147 472120841 /nfs/dbraw/zinc/12/08/41/472120841.db2.gz OQMJKZYWWHIKNR-DLBZAZTESA-N 2 0 326.529 2.479 10 0 EEAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668478 472195667 /nfs/dbraw/zinc/19/56/67/472195667.db2.gz NEVKVFDYGDDNBO-REGYPHIPSA-N 2 0 349.519 2.042 10 0 EEAERP COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662684065 472205342 /nfs/dbraw/zinc/20/53/42/472205342.db2.gz AJZFDDKHJWJMKO-UHFFFAOYSA-N 2 0 332.404 2.191 10 0 EEAERP CC1CC[NH+]([C@H](CNC(=O)NC/C=C/C[NH3+])c2cccs2)CC1 ZINC000668644708 472207135 /nfs/dbraw/zinc/20/71/35/472207135.db2.gz LZTMSSSJXZQKNX-XYBNCVKDSA-N 2 0 336.505 2.335 10 0 EEAERP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)CC1 ZINC000668815583 472280906 /nfs/dbraw/zinc/28/09/06/472280906.db2.gz QPVWOCYMRXWICE-HWOWSKLDSA-N 2 0 330.476 2.238 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000662884853 472290366 /nfs/dbraw/zinc/29/03/66/472290366.db2.gz PTCFLCRISZWQNB-MOPGFXCFSA-N 2 0 337.423 2.001 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c2n[nH]cc21 ZINC000666055363 472291269 /nfs/dbraw/zinc/29/12/69/472291269.db2.gz UYWQAARUNLEGSV-AWEZNQCLSA-N 2 0 346.479 2.265 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000651193769 485532571 /nfs/dbraw/zinc/53/25/71/485532571.db2.gz HBKSGTNAFIYXEE-GOSISDBHSA-N 2 0 338.540 2.338 10 0 EEAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000674676340 485778389 /nfs/dbraw/zinc/77/83/89/485778389.db2.gz QOONKDSGLQIGCJ-UHFFFAOYSA-N 2 0 345.516 2.321 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000680130869 485897246 /nfs/dbraw/zinc/89/72/46/485897246.db2.gz CHYWPNJXSSCJPB-HXUWFJFHSA-N 2 0 334.423 2.499 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)C(C)=O ZINC000676526539 486250089 /nfs/dbraw/zinc/25/00/89/486250089.db2.gz NSLZVMSBCAUXSO-QGZVFWFLSA-N 2 0 339.524 2.256 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000677008619 486362059 /nfs/dbraw/zinc/36/20/59/486362059.db2.gz KZPZVXDUTUTOAO-LXPRWKDFSA-N 2 0 336.524 2.423 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000416137064 534417103 /nfs/dbraw/zinc/41/71/03/534417103.db2.gz RSILXIXBCOMWLY-RTBURBONSA-N 2 0 327.472 2.178 10 0 EEAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426485008 535856761 /nfs/dbraw/zinc/85/67/61/535856761.db2.gz HUYIYCJFPBNMTQ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423096160 536596606 /nfs/dbraw/zinc/59/66/06/536596606.db2.gz HAMKHHHATMIABK-MRXNPFEDSA-N 2 0 341.883 2.020 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730736504 577052414 /nfs/dbraw/zinc/05/24/14/577052414.db2.gz UQHSPFKZDUKFPX-DLBZAZTESA-N 2 0 338.565 2.296 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899448638 693744028 /nfs/dbraw/zinc/74/40/28/693744028.db2.gz MHSAYKUDOQJARP-SLFFLAALSA-N 2 0 341.499 2.309 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CO1 ZINC000895085071 683803236 /nfs/dbraw/zinc/80/32/36/683803236.db2.gz UWFQNAHHISZXHT-GXFFZTMASA-N 2 0 328.359 2.337 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)ncc1C ZINC000896044212 684816963 /nfs/dbraw/zinc/81/69/63/684816963.db2.gz XBURAZNUBVNQPS-HNNXBMFYSA-N 2 0 336.455 2.017 10 0 EEAERP C[NH+](C)CCOc1ccc(-c2noc([C@H]3C[NH2+]CC3(C)C)n2)cc1 ZINC000904088146 694288580 /nfs/dbraw/zinc/28/85/80/694288580.db2.gz NPTNMMOVQMYWKD-OAHLLOKOSA-N 2 0 330.432 2.390 10 0 EEAERP CC1(CCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)OCCO1 ZINC000788022037 689470415 /nfs/dbraw/zinc/47/04/15/689470415.db2.gz LDGVOWMBWJUUKJ-UHFFFAOYSA-N 2 0 340.508 2.497 10 0 EEAERP C[NH+](C)CCOc1cccc(-c2noc([C@H]3C[NH2+]CC3(C)C)n2)c1 ZINC000904092775 694296045 /nfs/dbraw/zinc/29/60/45/694296045.db2.gz XVCFQJRXJAWERH-OAHLLOKOSA-N 2 0 330.432 2.390 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC[N@@H+]1C ZINC000925314074 691640497 /nfs/dbraw/zinc/64/04/97/691640497.db2.gz CRORNDGGSOIVQQ-SJLPKXTDSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[C@H](C[NH2+][C@H](C)c1cn2c(n1)CCCC2)N1CC[NH+](C)CC1 ZINC000924634686 692973507 /nfs/dbraw/zinc/97/35/07/692973507.db2.gz ZZBQZZXJSIQITK-AEFFLSMTSA-N 2 0 333.524 2.142 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C(C)C)cn2)CC1 ZINC000924688875 693166047 /nfs/dbraw/zinc/16/60/47/693166047.db2.gz GDRHTQNYZHCYOV-RTBURBONSA-N 2 0 346.519 2.374 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCc2ccccc2)C1 ZINC001485532463 1191829528 /nfs/dbraw/zinc/82/95/28/1191829528.db2.gz HFVPOIQTXQAWCV-MJGOQNOKSA-N 2 0 343.515 2.398 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]21 ZINC001485614269 1191862694 /nfs/dbraw/zinc/86/26/94/1191862694.db2.gz JZXFVWHUCJRAGH-PHZGNYQRSA-N 2 0 343.462 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccccc3Cl)C[C@H]21 ZINC001485629274 1191868278 /nfs/dbraw/zinc/86/82/78/1191868278.db2.gz QKMVWSUDLDPRJF-OSYLJGHBSA-N 2 0 349.906 2.474 10 0 EEAERP Cc1conc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001485655279 1191873465 /nfs/dbraw/zinc/87/34/65/1191873465.db2.gz FLXDHHMYQIOMTP-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001485706649 1191900076 /nfs/dbraw/zinc/90/00/76/1191900076.db2.gz MITZVCDVXNSFNN-SAABIXHNSA-N 2 0 342.487 2.493 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCO2)C1)CC(C)(C)C ZINC001485696621 1191903510 /nfs/dbraw/zinc/90/35/10/1191903510.db2.gz VYBNNHUNOASWLN-BRWVUGGUSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)ncn1 ZINC001485732391 1191922134 /nfs/dbraw/zinc/92/21/34/1191922134.db2.gz HBONQHMRXWRAFV-OAHLLOKOSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001485812200 1191973246 /nfs/dbraw/zinc/97/32/46/1191973246.db2.gz VIILMBOOVNRFCG-ZWKOTPCHSA-N 2 0 348.491 2.182 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)sn1 ZINC001266545932 1176804374 /nfs/dbraw/zinc/80/43/74/1176804374.db2.gz RMJSPKPZZPGVHM-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001266883152 1177699428 /nfs/dbraw/zinc/69/94/28/1177699428.db2.gz VOIKWEVLQFXSQK-HZPDHXFCSA-N 2 0 348.491 2.110 10 0 EEAERP CN(CC[NH2+]CCC1CCOCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266897431 1177747413 /nfs/dbraw/zinc/74/74/13/1177747413.db2.gz KVXHFIRLZIQTAM-UHFFFAOYSA-N 2 0 347.503 2.227 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691277227 1177806111 /nfs/dbraw/zinc/80/61/11/1177806111.db2.gz TVFPHCHFBZODKH-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001691360092 1177968169 /nfs/dbraw/zinc/96/81/69/1177968169.db2.gz OAQNAFFRRPZFOZ-QZTJIDSGSA-N 2 0 333.451 2.391 10 0 EEAERP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001691366879 1177971336 /nfs/dbraw/zinc/97/13/36/1177971336.db2.gz RTVTUYOFRWIAJI-KURKYZTESA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001266988374 1178044248 /nfs/dbraw/zinc/04/42/48/1178044248.db2.gz JQPFLCDQPFNDBG-UHFFFAOYSA-N 2 0 344.503 2.157 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266994058 1178050615 /nfs/dbraw/zinc/05/06/15/1178050615.db2.gz ILMXEGHMOXNRJJ-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cn1 ZINC001267067111 1178181846 /nfs/dbraw/zinc/18/18/46/1178181846.db2.gz NILSQTKZBBHOOR-IAGOWNOFSA-N 2 0 347.507 2.016 10 0 EEAERP CC(C)COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267112860 1178270225 /nfs/dbraw/zinc/27/02/25/1178270225.db2.gz ADKCRBQDSWXVPK-ZWKOTPCHSA-N 2 0 341.540 2.168 10 0 EEAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267401865 1178961173 /nfs/dbraw/zinc/96/11/73/1178961173.db2.gz UVQSYKCEBKKWSE-UHFFFAOYSA-N 2 0 341.459 2.365 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001267410900 1178973101 /nfs/dbraw/zinc/97/31/01/1178973101.db2.gz ZIRBCPJLUKSJRQ-BBWFWOEESA-N 2 0 325.472 2.308 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)O1 ZINC001267409014 1178982421 /nfs/dbraw/zinc/98/24/21/1178982421.db2.gz OXRLIVIKLKQYLL-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)CC[NH+](C)C ZINC001267424358 1178992989 /nfs/dbraw/zinc/99/29/89/1178992989.db2.gz LVIWZUHTMBGTEQ-UHFFFAOYSA-N 2 0 337.430 2.355 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(Cl)c1)[NH+](C)C ZINC001267430897 1179005716 /nfs/dbraw/zinc/00/57/16/1179005716.db2.gz ZDLKTNFIFKZCEQ-HNNXBMFYSA-N 2 0 341.883 2.237 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@H]1CCC(F)(F)C1 ZINC001480975259 1179408313 /nfs/dbraw/zinc/40/83/13/1179408313.db2.gz MYYLJRAAYLSIME-HOCLYGCPSA-N 2 0 343.462 2.202 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc2ccccc2o1 ZINC001481017091 1179503179 /nfs/dbraw/zinc/50/31/79/1179503179.db2.gz YUYCZPFCVZVBNQ-UHFFFAOYSA-N 2 0 329.444 2.467 10 0 EEAERP C[C@@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267593496 1179589319 /nfs/dbraw/zinc/58/93/19/1179589319.db2.gz MAAMFGXSOHDZDR-DLBZAZTESA-N 2 0 347.507 2.050 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001481071060 1179680404 /nfs/dbraw/zinc/68/04/04/1179680404.db2.gz LISFNCDQJBAKRN-ZIAGYGMSSA-N 2 0 348.318 2.247 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001481125110 1179826493 /nfs/dbraw/zinc/82/64/93/1179826493.db2.gz BFJDKGDCTQBPKK-CQSZACIVSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ncc(CN(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001481188144 1180036443 /nfs/dbraw/zinc/03/64/43/1180036443.db2.gz VWUNLUPSKPPEIL-HNNXBMFYSA-N 2 0 348.491 2.328 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](C[N@H+](C)CC=C(C)C)C1 ZINC001267653595 1180107420 /nfs/dbraw/zinc/10/74/20/1180107420.db2.gz WITTZZACIDHKKV-SJORKVTESA-N 2 0 327.488 2.413 10 0 EEAERP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267713920 1180248540 /nfs/dbraw/zinc/24/85/40/1180248540.db2.gz WMMVJJZVQNGMOK-OALUTQOASA-N 2 0 345.487 2.074 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001267892757 1180704352 /nfs/dbraw/zinc/70/43/52/1180704352.db2.gz JFALUQNSMUBQEK-MRXNPFEDSA-N 2 0 337.533 2.461 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001267938251 1180791583 /nfs/dbraw/zinc/79/15/83/1180791583.db2.gz PMZUTEBPMFIBRX-SFHVURJKSA-N 2 0 333.451 2.094 10 0 EEAERP C[C@H]([NH2+]CC=C(Cl)Cl)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481341432 1181072542 /nfs/dbraw/zinc/07/25/42/1181072542.db2.gz HIGATWBVBOHRRU-LBPRGKRZSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481341969 1181072820 /nfs/dbraw/zinc/07/28/20/1181072820.db2.gz LQTZXZQULICYAR-MRXNPFEDSA-N 2 0 332.492 2.058 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481499147 1181570911 /nfs/dbraw/zinc/57/09/11/1181570911.db2.gz UWHHJNXCVRNNEU-JKSUJKDBSA-N 2 0 329.504 2.493 10 0 EEAERP COc1cccc([C@H](C)[NH+]2CC(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001481655424 1182139240 /nfs/dbraw/zinc/13/92/40/1182139240.db2.gz ZZUVOMLYTSRWIF-JKSUJKDBSA-N 2 0 345.487 2.146 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC001268375643 1182391004 /nfs/dbraw/zinc/39/10/04/1182391004.db2.gz VXXOCPMZYLBTNQ-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001268395167 1182464583 /nfs/dbraw/zinc/46/45/83/1182464583.db2.gz PUJZJSJFJKGKTL-XEZPLFJOSA-N 2 0 336.480 2.006 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)c1C ZINC001268424541 1182592260 /nfs/dbraw/zinc/59/22/60/1182592260.db2.gz WEWRXXFLLCOBEJ-HNNXBMFYSA-N 2 0 333.476 2.084 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001481824444 1182745149 /nfs/dbraw/zinc/74/51/49/1182745149.db2.gz CYUDIEZTHWDIBY-INIZCTEOSA-N 2 0 348.491 2.097 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268463069 1182765035 /nfs/dbraw/zinc/76/50/35/1182765035.db2.gz UXXLQIZTWPFVCI-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001481877073 1182854528 /nfs/dbraw/zinc/85/45/28/1182854528.db2.gz ZFLNBJZXZAYSHF-UONOGXRCSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(C(C)C)n1 ZINC001481879853 1182862018 /nfs/dbraw/zinc/86/20/18/1182862018.db2.gz ZJNFINPNIDLVSV-INIZCTEOSA-N 2 0 332.492 2.285 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ns1 ZINC001481880816 1182863724 /nfs/dbraw/zinc/86/37/24/1182863724.db2.gz HMFZFACEJOWEFR-GOEBONIOSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001481878516 1182877236 /nfs/dbraw/zinc/87/72/36/1182877236.db2.gz JOGSAMOSSPZVNJ-QGZVFWFLSA-N 2 0 328.460 2.248 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001481977218 1183066142 /nfs/dbraw/zinc/06/61/42/1183066142.db2.gz MTMWTEFMCMSHLB-WMZOPIPTSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001268541749 1183212525 /nfs/dbraw/zinc/21/25/25/1183212525.db2.gz IWUDMFMEFMKUBZ-QTVWAHLNSA-N 2 0 345.462 2.415 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001268588584 1183389484 /nfs/dbraw/zinc/38/94/84/1183389484.db2.gz SUSFGFMYPYOLGK-IHWYPQMZSA-N 2 0 341.499 2.279 10 0 EEAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+][C@@H](C)c1ccccc1 ZINC001482157045 1183475389 /nfs/dbraw/zinc/47/53/89/1183475389.db2.gz RPVDAWAOIIHPHJ-IRXDYDNUSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001268900081 1183804922 /nfs/dbraw/zinc/80/49/22/1183804922.db2.gz XFGLTHXFEIPXPD-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP O=C(N[C@H](C[NH2+]CCc1ccccc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001269071372 1183939427 /nfs/dbraw/zinc/93/94/27/1183939427.db2.gz IFWCGYYMLUVPEG-VQTJNVASSA-N 2 0 341.499 2.055 10 0 EEAERP Cc1ccccc1OCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001269096923 1183959115 /nfs/dbraw/zinc/95/91/15/1183959115.db2.gz ICKDJSJAYFHOCU-SFHVURJKSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001269251193 1184102884 /nfs/dbraw/zinc/10/28/84/1184102884.db2.gz MELZLNLUJMFQJJ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001482233409 1184422817 /nfs/dbraw/zinc/42/28/17/1184422817.db2.gz LEGDKQPCXNYKJH-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001269743150 1184582136 /nfs/dbraw/zinc/58/21/36/1184582136.db2.gz YWWLRIJPJMAYMU-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2C)C1)[NH+](C)C ZINC001269766986 1184604427 /nfs/dbraw/zinc/60/44/27/1184604427.db2.gz ZCTDEBXOOJDGQB-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001269935183 1184728240 /nfs/dbraw/zinc/72/82/40/1184728240.db2.gz LUWULBJIYCHDKO-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001482284243 1185063206 /nfs/dbraw/zinc/06/32/06/1185063206.db2.gz LYXCASUFNPBDGE-AEFFLSMTSA-N 2 0 332.492 2.199 10 0 EEAERP COCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001279135944 1185376022 /nfs/dbraw/zinc/37/60/22/1185376022.db2.gz CTDAHIYWRQWRFW-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365535 1185520444 /nfs/dbraw/zinc/52/04/44/1185520444.db2.gz WMHQAYNUFDRWRI-GFCCVEGCSA-N 2 0 329.897 2.434 10 0 EEAERP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000290427207 1185525798 /nfs/dbraw/zinc/52/57/98/1185525798.db2.gz GVOUORGUURDJTL-CAMMJAKZSA-N 2 0 329.488 2.496 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001482370218 1185535884 /nfs/dbraw/zinc/53/58/84/1185535884.db2.gz SYPXAFQZAJXFTD-ZBFHGGJFSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001280308981 1185541901 /nfs/dbraw/zinc/54/19/01/1185541901.db2.gz YDZLHSKHYIWXKF-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)s1 ZINC001482398528 1185612123 /nfs/dbraw/zinc/61/21/23/1185612123.db2.gz NTFBDZNHTAUDEB-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001482412936 1185648036 /nfs/dbraw/zinc/64/80/36/1185648036.db2.gz KAMHLAYQAQXXNZ-QGZVFWFLSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001482431344 1185697579 /nfs/dbraw/zinc/69/75/79/1185697579.db2.gz CJBNGXZEEXMYTF-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCCCF ZINC001482435905 1185711190 /nfs/dbraw/zinc/71/11/90/1185711190.db2.gz SLJXBJYDAVEGBP-CVEARBPZSA-N 2 0 325.472 2.049 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482448007 1185788508 /nfs/dbraw/zinc/78/85/08/1185788508.db2.gz FZCOKAPXWFBIDB-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091942 1185875030 /nfs/dbraw/zinc/87/50/30/1185875030.db2.gz HIUZSXLIBYFBJB-JEZWAEDTSA-N 2 0 329.488 2.478 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001271402639 1186190995 /nfs/dbraw/zinc/19/09/95/1186190995.db2.gz GCCRBBQQLXHSCG-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1[NH2+]CCCF ZINC001271413138 1186198539 /nfs/dbraw/zinc/19/85/39/1186198539.db2.gz AONVNNQCSBABJN-HOCLYGCPSA-N 2 0 345.422 2.067 10 0 EEAERP COc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001482519038 1186446079 /nfs/dbraw/zinc/44/60/79/1186446079.db2.gz UKTFBXHWOGXSSW-MSOLQXFVSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C[NH2+]CCF ZINC001271758853 1186464238 /nfs/dbraw/zinc/46/42/38/1186464238.db2.gz IAUKDNLLUYGMAZ-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001482572347 1186919236 /nfs/dbraw/zinc/91/92/36/1186919236.db2.gz ZBHKHAOHNQRIFX-INIZCTEOSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCCOc2ccccc2)CC[N@@H+]1C ZINC001272020573 1187014746 /nfs/dbraw/zinc/01/47/46/1187014746.db2.gz OQQQWVJFDXCIHP-IEBWSBKVSA-N 2 0 347.503 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2scnc2C)CC[N@@H+]1C ZINC001272789214 1193499688 /nfs/dbraw/zinc/49/96/88/1193499688.db2.gz AEQDZIJMOLNGLE-VHDGCEQUSA-N 2 0 338.521 2.166 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482695178 1187661979 /nfs/dbraw/zinc/66/19/79/1187661979.db2.gz QOKSEXORHVMHGR-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482925219 1187845526 /nfs/dbraw/zinc/84/55/26/1187845526.db2.gz OBHZSKVQUPFTKL-ZGBFETHSSA-N 2 0 341.499 2.480 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C)nc1C ZINC001483015268 1188002295 /nfs/dbraw/zinc/00/22/95/1188002295.db2.gz HFRUNVYEYLMHMF-UEKDZROGSA-N 2 0 344.503 2.335 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21 ZINC001483026305 1188032149 /nfs/dbraw/zinc/03/21/49/1188032149.db2.gz ILMUVDNAIWKPSR-ASIGSXEYSA-N 2 0 327.472 2.420 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CCCCC1)[C@@H]1CCn2ccnc2C1 ZINC001483028425 1188039907 /nfs/dbraw/zinc/03/99/07/1188039907.db2.gz GMVSESFOACWZSU-VGOKWCNXSA-N 2 0 330.476 2.288 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555806 1188259715 /nfs/dbraw/zinc/25/97/15/1188259715.db2.gz KLVHKXPTJOTXMD-GJZGRUSLSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1cccc(CCC[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001483092240 1188459041 /nfs/dbraw/zinc/45/90/41/1188459041.db2.gz DTIOSYPMBBZAKC-RTLBZRNLSA-N 2 0 329.488 2.141 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccccn1)[NH+]1CCCCC1 ZINC001483096234 1188470485 /nfs/dbraw/zinc/47/04/85/1188470485.db2.gz ALXDBCDENAGZOS-RURPWVQCSA-N 2 0 344.503 2.354 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135975 1188684511 /nfs/dbraw/zinc/68/45/11/1188684511.db2.gz YLYBRGOACDBXJT-IAGOWNOFSA-N 2 0 343.515 2.370 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH]ccc-2n1)C1CCC1 ZINC001483140796 1188701441 /nfs/dbraw/zinc/70/14/41/1188701441.db2.gz NXLALBVMXSWPBU-PXAZEXFGSA-N 2 0 330.432 2.086 10 0 EEAERP Cc1cnc2cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc3ocnc3C)ccn12 ZINC001485877804 1193624303 /nfs/dbraw/zinc/62/43/03/1193624303.db2.gz ZFXHVOGCAZRHRI-GFCCVEGCSA-N 2 0 341.415 2.189 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409361521 1189576965 /nfs/dbraw/zinc/57/69/65/1189576965.db2.gz JVJOMNCFPVENQP-CVEARBPZSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409413848 1189644879 /nfs/dbraw/zinc/64/48/79/1189644879.db2.gz PRDXYCHNNYIJNM-NEPJUHHUSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC001409689570 1190191233 /nfs/dbraw/zinc/19/12/33/1190191233.db2.gz STFNEKMUJNXGAR-GXTWGEPZSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001483380652 1190423967 /nfs/dbraw/zinc/42/39/67/1190423967.db2.gz CLHKNHAKBFTNJT-CQSZACIVSA-N 2 0 325.884 2.271 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)CCC[NH+](C)C ZINC001486084621 1193677019 /nfs/dbraw/zinc/67/70/19/1193677019.db2.gz KXOLSFYBMAYZCB-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CCF)c1cnn(-c2ccncc2)c1 ZINC001483441580 1190481877 /nfs/dbraw/zinc/48/18/77/1190481877.db2.gz IMNAAPGYMCQKDC-WMLDXEAASA-N 2 0 345.422 2.115 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483444450 1190482498 /nfs/dbraw/zinc/48/24/98/1190482498.db2.gz WEOSMTZICSCQNA-HOTGVXAUSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483446891 1190483136 /nfs/dbraw/zinc/48/31/36/1190483136.db2.gz DFVRUJVSPNMWEY-CVEARBPZSA-N 2 0 336.480 2.088 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483465577 1190489011 /nfs/dbraw/zinc/48/90/11/1190489011.db2.gz MJWJHWSHLHPHSI-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC001483618725 1190598223 /nfs/dbraw/zinc/59/82/23/1190598223.db2.gz PICGEWXNSYIIIX-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001272534841 1190869788 /nfs/dbraw/zinc/86/97/88/1190869788.db2.gz RPOQCSWJUJPZQC-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001272556251 1190877358 /nfs/dbraw/zinc/87/73/58/1190877358.db2.gz PQSOLIUHXMMULX-QGZVFWFLSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001483774812 1191017332 /nfs/dbraw/zinc/01/73/32/1191017332.db2.gz FVGVGWWLCNZTKP-AEFFLSMTSA-N 2 0 342.487 2.145 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001483916871 1191115563 /nfs/dbraw/zinc/11/55/63/1191115563.db2.gz RXWWIAYFHVLYHI-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483917122 1191115914 /nfs/dbraw/zinc/11/59/14/1191115914.db2.gz UCXYDRCVGYUMFU-XWJOTYRJSA-N 2 0 346.302 2.370 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)CCN1C(=O)CC[NH+](C)C ZINC001483908204 1191120182 /nfs/dbraw/zinc/12/01/82/1191120182.db2.gz IJOMNNXBRAHOGK-KXBFYZLASA-N 2 0 345.487 2.138 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001483911993 1191121644 /nfs/dbraw/zinc/12/16/44/1191121644.db2.gz MNBSKOPYYSXBTO-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+](C[C@H](C)OC)C2)C1 ZINC001484023319 1191160910 /nfs/dbraw/zinc/16/09/10/1191160910.db2.gz ZSVUNXSEVNIJSV-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484125021 1191223638 /nfs/dbraw/zinc/22/36/38/1191223638.db2.gz LFIRSPBONIDLSJ-OXQOHEQNSA-N 2 0 347.478 2.414 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001484467261 1191371699 /nfs/dbraw/zinc/37/16/99/1191371699.db2.gz DYNRSXZDPUDNBY-MOPGFXCFSA-N 2 0 344.503 2.296 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCOC1)[NH+](C)C ZINC001484618433 1191444187 /nfs/dbraw/zinc/44/41/87/1191444187.db2.gz RCDBEAGPIQDWNE-KSZLIROESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC001484646249 1191452618 /nfs/dbraw/zinc/45/26/18/1191452618.db2.gz IYECWBHLDDEDNH-CHWSQXEVSA-N 2 0 348.318 2.293 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]C[C@H]3CCC(F)(F)C3)CCC2)CC1 ZINC001484650004 1191455337 /nfs/dbraw/zinc/45/53/37/1191455337.db2.gz XZPISAWCPWSBTB-AWEZNQCLSA-N 2 0 343.462 2.392 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCOC)CC1 ZINC001484717361 1191481306 /nfs/dbraw/zinc/48/13/06/1191481306.db2.gz WLENKWYARSSHKX-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001484729775 1191488336 /nfs/dbraw/zinc/48/83/36/1191488336.db2.gz XBOSZCNJXXFUOR-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001484745467 1191496616 /nfs/dbraw/zinc/49/66/16/1191496616.db2.gz HBEUCRPXWUIYPE-SFHVURJKSA-N 2 0 332.492 2.236 10 0 EEAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCC[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001484918489 1191574982 /nfs/dbraw/zinc/57/49/82/1191574982.db2.gz JLKUANWPCZUDGM-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)oc1C ZINC001484921256 1191575969 /nfs/dbraw/zinc/57/59/69/1191575969.db2.gz RLBDVNUJBYSZBU-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001484983087 1191601332 /nfs/dbraw/zinc/60/13/32/1191601332.db2.gz VAUDQZNUMHHJMC-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1)OC ZINC001485098216 1191651562 /nfs/dbraw/zinc/65/15/62/1191651562.db2.gz RCWLZQMFTCTXJJ-VMBOVVBDSA-N 2 0 344.459 2.166 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001485261676 1191709564 /nfs/dbraw/zinc/70/95/64/1191709564.db2.gz FRKLBANJPPUTOK-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001485318887 1191732884 /nfs/dbraw/zinc/73/28/84/1191732884.db2.gz KBBLNKSOGMCYQN-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001486449511 1193963776 /nfs/dbraw/zinc/96/37/76/1193963776.db2.gz HQWOGIGAXOUHOZ-DLBZAZTESA-N 2 0 344.503 2.140 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001273052455 1194356555 /nfs/dbraw/zinc/35/65/55/1194356555.db2.gz LDTTZIJMGUOGLQ-ZBFHGGJFSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001273131326 1194416758 /nfs/dbraw/zinc/41/67/58/1194416758.db2.gz QUTRZRPEYYFSTD-SMDDNHRTSA-N 2 0 346.928 2.367 10 0 EEAERP COc1ccc(C[NH+]2CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001409966200 1194692354 /nfs/dbraw/zinc/69/23/54/1194692354.db2.gz HMWFHBVGEIQGIH-INIZCTEOSA-N 2 0 347.503 2.280 10 0 EEAERP CC1(O)CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000703025101 1196247264 /nfs/dbraw/zinc/24/72/64/1196247264.db2.gz JOXNUAKXMAUMHO-UHFFFAOYSA-N 2 0 331.504 2.087 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCc3ccsc3)C[C@H]21)[NH+](C)C ZINC001410094431 1197548377 /nfs/dbraw/zinc/54/83/77/1197548377.db2.gz YZHNGCCLQQSVEK-ZJPYXAASSA-N 2 0 349.544 2.315 10 0 EEAERP Cc1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001410146894 1197570814 /nfs/dbraw/zinc/57/08/14/1197570814.db2.gz KCFXLGUZQJTWGF-LWYYNNOASA-N 2 0 341.499 2.131 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)cc1 ZINC001410162778 1197576267 /nfs/dbraw/zinc/57/62/67/1197576267.db2.gz WWPDMNIBHACDFR-MJGOQNOKSA-N 2 0 347.503 2.041 10 0 EEAERP CCc1cccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@@H]3C2)c1 ZINC001410148746 1197580890 /nfs/dbraw/zinc/58/08/90/1197580890.db2.gz KOZPPGRSTZWAOZ-OWZKRDHZSA-N 2 0 343.515 2.385 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410227036 1197617360 /nfs/dbraw/zinc/61/73/60/1197617360.db2.gz FZGUUEQCJQZJNB-RZDIXWSQSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001410430905 1197876481 /nfs/dbraw/zinc/87/64/81/1197876481.db2.gz DZCIUWZGQXBYJU-GOEBONIOSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)CS(C)(=O)=O ZINC000872158037 1198064148 /nfs/dbraw/zinc/06/41/48/1198064148.db2.gz SAAUPAQRXXZQEY-VYDXJSESSA-N 2 0 330.538 2.287 10 0 EEAERP [NH3+]C[C@@]1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCCOC1 ZINC000872173494 1198069668 /nfs/dbraw/zinc/06/96/68/1198069668.db2.gz VRTRVAGZNOEVQF-IBGZPJMESA-N 2 0 342.443 2.339 10 0 EEAERP CCc1c(Cl)nc(C)nc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012742 1198454331 /nfs/dbraw/zinc/45/43/31/1198454331.db2.gz PGFWASJKVJDYCO-ZIAGYGMSSA-N 2 0 339.915 2.176 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cc(Br)ccn2)C[C@H]1C[NH+](C)C ZINC000866012007 1198454463 /nfs/dbraw/zinc/45/44/63/1198454463.db2.gz OLKMHVLKIWRXOX-CHWSQXEVSA-N 2 0 341.297 2.020 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2ccc(Cl)s2)CCN1C(=O)CC[NH+](C)C ZINC001410859176 1198503162 /nfs/dbraw/zinc/50/31/62/1198503162.db2.gz QOQQGTUTPULRLZ-DGCLKSJQSA-N 2 0 329.897 2.432 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)nsc2C)C[C@H]1C ZINC001410857108 1198508392 /nfs/dbraw/zinc/50/83/92/1198508392.db2.gz DEAKEQHNVGDUBY-DOMZBBRYSA-N 2 0 338.521 2.181 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCC(F)(F)F)CC2 ZINC001410914036 1198568988 /nfs/dbraw/zinc/56/89/88/1198568988.db2.gz QTBDDXLKLVJIPR-HIFRSBDPSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccns1)C(C)(C)C ZINC001411216198 1198925262 /nfs/dbraw/zinc/92/52/62/1198925262.db2.gz IRUNVZMKFGLZGU-LSDHHAIUSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@H](c1cnccn1)[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001411239520 1198955439 /nfs/dbraw/zinc/95/54/39/1198955439.db2.gz XQGBPRIKPZAFMZ-JKSUJKDBSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@H]1CCC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875521720 1199282266 /nfs/dbraw/zinc/28/22/66/1199282266.db2.gz PFDBKLKQLUYCRX-MLHJIOFPSA-N 2 0 338.540 2.336 10 0 EEAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000810244376 1199397973 /nfs/dbraw/zinc/39/79/73/1199397973.db2.gz RLBDITSZMWRAGT-YJBOKZPZSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870018054 1200409690 /nfs/dbraw/zinc/40/96/90/1200409690.db2.gz UZQIFAAONGKHDY-ZTRFORPCSA-N 2 0 347.478 2.069 10 0 EEAERP CCC[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000826075967 1200698756 /nfs/dbraw/zinc/69/87/56/1200698756.db2.gz IUIBKWPOTSYVRI-HNNXBMFYSA-N 2 0 338.883 2.424 10 0 EEAERP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870942237 1200969548 /nfs/dbraw/zinc/96/95/48/1200969548.db2.gz JACAGQLGEYDAHZ-RISCZKNCSA-N 2 0 340.265 2.036 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866259474 1201478158 /nfs/dbraw/zinc/47/81/58/1201478158.db2.gz MXCJBLQWFOBZSW-MJGOQNOKSA-N 2 0 335.467 2.321 10 0 EEAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000866516647 1201537954 /nfs/dbraw/zinc/53/79/54/1201537954.db2.gz RNSFCVNQQDLJLC-KTAKPFMOSA-N 2 0 339.505 2.248 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)OCCC(F)(F)F ZINC000866688649 1201580687 /nfs/dbraw/zinc/58/06/87/1201580687.db2.gz VJYSSOSXYOIBEU-ZDUSSCGKSA-N 2 0 339.402 2.423 10 0 EEAERP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702404 1201584642 /nfs/dbraw/zinc/58/46/42/1201584642.db2.gz BNPZWUNVODUWEB-QRWLVFNGSA-N 2 0 347.503 2.397 10 0 EEAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714024 1201587598 /nfs/dbraw/zinc/58/75/98/1201587598.db2.gz DIDQDFURFKYRCJ-HZMVEIRTSA-N 2 0 333.407 2.144 10 0 EEAERP CS[C@@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H]1[NH+](C)C ZINC000868180680 1201758813 /nfs/dbraw/zinc/75/88/13/1201758813.db2.gz IBNHWFCGYNJRBA-ZJIFWQFVSA-N 2 0 334.489 2.011 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000868750939 1201871577 /nfs/dbraw/zinc/87/15/77/1201871577.db2.gz DEIAUPMJLRDGGW-RYQLBKOJSA-N 2 0 336.524 2.423 10 0 EEAERP CN1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000868757801 1201872847 /nfs/dbraw/zinc/87/28/47/1201872847.db2.gz DPQWDNUGEWXPMN-RDJZCZTQSA-N 2 0 330.476 2.345 10 0 EEAERP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000886537187 1202519554 /nfs/dbraw/zinc/51/95/54/1202519554.db2.gz VRXHJQFLTCMZOH-CRAIPNDOSA-N 2 0 346.471 2.075 10 0 EEAERP Cc1cnc([C@H](C)NC/C=C/CNC(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001274025299 1204331387 /nfs/dbraw/zinc/33/13/87/1204331387.db2.gz KIRZLUFLZRKZBM-DZEZYYDTSA-N 2 0 334.464 2.179 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001274251846 1204977252 /nfs/dbraw/zinc/97/72/52/1204977252.db2.gz ALLKHHXGLFMCLC-SNAWJCMRSA-N 2 0 345.487 2.332 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CCF)(c3ccccc3)CC2)C1 ZINC001274486627 1205055559 /nfs/dbraw/zinc/05/55/59/1205055559.db2.gz BCGNUTADEGHPRI-QGZVFWFLSA-N 2 0 347.478 2.058 10 0 EEAERP CC(C)COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275135063 1205264593 /nfs/dbraw/zinc/26/45/93/1205264593.db2.gz FQOKUWANJKUGHZ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275446056 1205364411 /nfs/dbraw/zinc/36/44/11/1205364411.db2.gz XLFCGXBCGTUXDB-WCQMXNECSA-N 2 0 335.879 2.399 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001275978320 1205615459 /nfs/dbraw/zinc/61/54/59/1205615459.db2.gz ZGZLTVZOUNDJTP-CJNGLKHVSA-N 2 0 340.899 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccnc(Cl)c1 ZINC001276013666 1205637000 /nfs/dbraw/zinc/63/70/00/1205637000.db2.gz YQXWBRFRDXCONV-ZDUSSCGKSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276070485 1205760025 /nfs/dbraw/zinc/76/00/25/1205760025.db2.gz HINRWBJJTSIQMX-IEBWSBKVSA-N 2 0 344.503 2.345 10 0 EEAERP COc1ccc(CC[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001276208441 1205833336 /nfs/dbraw/zinc/83/33/36/1205833336.db2.gz CXPPTNORVRRNDP-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cn2c(n1)CCCC2 ZINC000924960455 1206055538 /nfs/dbraw/zinc/05/55/38/1206055538.db2.gz RHQBUEWMINYCSH-MRXNPFEDSA-N 2 0 333.524 2.144 10 0 EEAERP C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000925499638 1206119924 /nfs/dbraw/zinc/11/99/24/1206119924.db2.gz RPRDCBIMLXSADP-RBUKOAKNSA-N 2 0 335.536 2.389 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000925531730 1206124084 /nfs/dbraw/zinc/12/40/84/1206124084.db2.gz MOLATIJLHDVYDA-MJBXVCDLSA-N 2 0 330.350 2.478 10 0 EEAERP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)n(C)n1 ZINC000925657697 1206140751 /nfs/dbraw/zinc/14/07/51/1206140751.db2.gz DPDBPLSHWSQAIO-XYVMCAHJSA-N 2 0 331.508 2.064 10 0 EEAERP c1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925806158 1206155643 /nfs/dbraw/zinc/15/56/43/1206155643.db2.gz YBJSEQCCCPCNGB-HSALFYBXSA-N 2 0 340.471 2.162 10 0 EEAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837198 1206158775 /nfs/dbraw/zinc/15/87/75/1206158775.db2.gz COOLKPCOQYBDOO-AAEUAGOBSA-N 2 0 327.270 2.242 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)CC12CC[NH2+]CC2 ZINC000925850454 1206160554 /nfs/dbraw/zinc/16/05/54/1206160554.db2.gz ASCAHJLFSFXTRA-UKRRQHHQSA-N 2 0 332.469 2.498 10 0 EEAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925859614 1206162368 /nfs/dbraw/zinc/16/23/68/1206162368.db2.gz XEHDNKYENNEISY-ARFHVFGLSA-N 2 0 338.492 2.101 10 0 EEAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925880329 1206163462 /nfs/dbraw/zinc/16/34/62/1206163462.db2.gz JNEIGHUAULPFOR-IYWMVGAKSA-N 2 0 330.472 2.437 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000925902668 1206165729 /nfs/dbraw/zinc/16/57/29/1206165729.db2.gz KCZMEEHNWITSDH-KBAYOESNSA-N 2 0 347.507 2.199 10 0 EEAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925903922 1206166145 /nfs/dbraw/zinc/16/61/45/1206166145.db2.gz NMLVGEHJURYNQI-SFHVURJKSA-N 2 0 347.507 2.246 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000926591868 1206229966 /nfs/dbraw/zinc/22/99/66/1206229966.db2.gz UXZUHNDYKVGVHV-MRXNPFEDSA-N 2 0 341.455 2.465 10 0 EEAERP C(C[NH+]1CCCC1)OC1CC[NH+](CCOC2CCSCC2)CC1 ZINC000929761832 1206499188 /nfs/dbraw/zinc/49/91/88/1206499188.db2.gz CKJKYCIMOGANJH-UHFFFAOYSA-N 2 0 342.549 2.475 10 0 EEAERP C[N@H+](C[C@H](O)COc1ccc2cc[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460523 1206559676 /nfs/dbraw/zinc/55/96/76/1206559676.db2.gz PEXILFSZBGYWCZ-WFFDWFOESA-N 2 0 343.471 2.465 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCOC(C)C)C2)C1 ZINC001490837502 1208162075 /nfs/dbraw/zinc/16/20/75/1208162075.db2.gz GEJGCBUULLYQGB-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP OC1CCC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000717998113 1211685391 /nfs/dbraw/zinc/68/53/91/1211685391.db2.gz WRPAAOIGRDMXAK-UHFFFAOYSA-N 2 0 332.488 2.297 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC001412939991 1216136860 /nfs/dbraw/zinc/13/68/60/1216136860.db2.gz KLBSHCMESGOZIP-QZTJIDSGSA-N 2 0 329.488 2.450 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000903442633 1240486240 /nfs/dbraw/zinc/48/62/40/1240486240.db2.gz VJVJDFDHPVHQPA-RDBSUJKOSA-N 2 0 336.867 2.241 10 0 EEAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903457544 1240526281 /nfs/dbraw/zinc/52/62/81/1240526281.db2.gz WPPYKZZNCPYIOH-SWHYSGLUSA-N 2 0 340.265 2.035 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000903491936 1240655182 /nfs/dbraw/zinc/65/51/82/1240655182.db2.gz GUIKOKRRLHPQMU-ZENOOKHLSA-N 2 0 342.361 2.418 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000903494712 1240664377 /nfs/dbraw/zinc/66/43/77/1240664377.db2.gz LSAKBMMQSGUGJY-ZIVNCQHPSA-N 2 0 344.455 2.119 10 0 EEAERP c1csc(C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000903718514 1241710285 /nfs/dbraw/zinc/71/02/85/1241710285.db2.gz NZNVOANIRXKWKX-JZXOWHBKSA-N 2 0 336.501 2.498 10 0 EEAERP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913986 1242461126 /nfs/dbraw/zinc/46/11/26/1242461126.db2.gz RBHOBTBSNSTSNR-ICSRJNTNSA-N 2 0 344.503 2.035 10 0 EEAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956092 1242707645 /nfs/dbraw/zinc/70/76/45/1242707645.db2.gz GUPAPBJACNXEDL-NEPJUHHUSA-N 2 0 329.366 2.377 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001493226303 1243151273 /nfs/dbraw/zinc/15/12/73/1243151273.db2.gz DRJXGFFANYPCKL-BBWFWOEESA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001490959694 1258511103 /nfs/dbraw/zinc/51/11/03/1258511103.db2.gz CBNCRKYDFOCRIJ-TVFCKZIOSA-N 2 0 337.508 2.057 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C\Cl)CC[C@@H]21 ZINC001490985042 1258542490 /nfs/dbraw/zinc/54/24/90/1258542490.db2.gz WBTJWBJIHIONDQ-RQTGCPSESA-N 2 0 327.900 2.394 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491176253 1258740217 /nfs/dbraw/zinc/74/02/17/1258740217.db2.gz XCTKRZNBAXJTPM-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001491215816 1258793676 /nfs/dbraw/zinc/79/36/76/1258793676.db2.gz TXZYGIGOPAGBSH-KZNAEPCWSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC2CC(F)(F)C2)C1 ZINC001491220109 1258800797 /nfs/dbraw/zinc/80/07/97/1258800797.db2.gz AORFVWXAABNNMG-GOEBONIOSA-N 2 0 343.462 2.344 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@]3(CC[N@H+](CCCCCF)C3)C2)CC1 ZINC001671081214 1278399777 /nfs/dbraw/zinc/39/97/77/1278399777.db2.gz SFTRPWBLHFOAEQ-GOSISDBHSA-N 2 0 339.499 2.392 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC001273446746 1278413908 /nfs/dbraw/zinc/41/39/08/1278413908.db2.gz SKGCTQQEZVPNHL-SFHVURJKSA-N 2 0 347.503 2.378 10 0 EEAERP CCN(CC[NH2+]CCc1cccs1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273568991 1280005993 /nfs/dbraw/zinc/00/59/93/1280005993.db2.gz HBNHEUWVZQKXHA-HOTGVXAUSA-N 2 0 337.533 2.459 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001273652373 1282299778 /nfs/dbraw/zinc/29/97/78/1282299778.db2.gz BNTMGXLJYLQBGC-GOEBONIOSA-N 2 0 336.505 2.098 10 0 EEAERP CC(=O)Oc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001198612980 1285251552 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2 0 327.488 2.436 10 0 EEAERP Cc1ccccc1CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549978 1296329692 /nfs/dbraw/zinc/32/96/92/1296329692.db2.gz WBXQFMWJALWEIJ-MOPGFXCFSA-N 2 0 343.471 2.185 10 0 EEAERP C[C@H](c1ccc(F)cc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550214 1296330265 /nfs/dbraw/zinc/33/02/65/1296330265.db2.gz PYDIQKGNFICGSZ-JLZZUVOBSA-N 2 0 333.407 2.144 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)CC(C)(C)C ZINC001490928253 1299584854 /nfs/dbraw/zinc/58/48/54/1299584854.db2.gz KSHPXWCFBHOKAV-JYJNAYRXSA-N 2 0 339.524 2.016 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001491124849 1299609686 /nfs/dbraw/zinc/60/96/86/1299609686.db2.gz BQPSSNXOIKVCSI-ZWKOTPCHSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001276983853 1300663439 /nfs/dbraw/zinc/66/34/39/1300663439.db2.gz UGVLOVCCMCCAKX-VBSBHUPXSA-N 2 0 343.515 2.362 10 0 EEAERP C[C@@H](CCC[NH2+]CCC1CCOCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001277292025 1302222148 /nfs/dbraw/zinc/22/21/48/1302222148.db2.gz UHMAKTDLCKUDAA-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCCCCF)CC3)C1 ZINC001277496099 1303680288 /nfs/dbraw/zinc/68/02/88/1303680288.db2.gz MUIJXLVZOWGNAA-QGZVFWFLSA-N 2 0 339.499 2.392 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H](C[NH2+]CCF)C1CC1 ZINC001277655150 1304108705 /nfs/dbraw/zinc/10/87/05/1304108705.db2.gz KKBBDNLJEHTUAB-IAGOWNOFSA-N 2 0 325.472 2.190 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277822876 1304669077 /nfs/dbraw/zinc/66/90/77/1304669077.db2.gz GVTPXXHKJZVSHO-UXHICEINSA-N 2 0 343.515 2.466 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CCCC2)C1 ZINC001278273793 1308944916 /nfs/dbraw/zinc/94/49/16/1308944916.db2.gz ABXUWWFXGMKDTC-YIWFVGIGSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278315732 1309359480 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2.248 10 0 EEAERP Cc1nocc1C[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001265333731 1323081095 /nfs/dbraw/zinc/08/10/95/1323081095.db2.gz CJTGAAATZHWEQH-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001265531290 1323207057 /nfs/dbraw/zinc/20/70/57/1323207057.db2.gz FXARLKYZQUMHAJ-OTWHNJEPSA-N 2 0 329.488 2.259 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265673798 1323313549 /nfs/dbraw/zinc/31/35/49/1323313549.db2.gz MFSAMGPMSWRMDN-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001265917101 1323484054 /nfs/dbraw/zinc/48/40/54/1323484054.db2.gz BVAOJPUTFUNFHQ-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001265956238 1323518708 /nfs/dbraw/zinc/51/87/08/1323518708.db2.gz GNNQSPWLCODEIE-CABCVRRESA-N 2 0 333.467 2.446 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001265963704 1323524787 /nfs/dbraw/zinc/52/47/87/1323524787.db2.gz JVLRPZJIUWEQQH-OALUTQOASA-N 2 0 329.488 2.070 10 0 EEAERP Cc1nccnc1C[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266074399 1323630525 /nfs/dbraw/zinc/63/05/25/1323630525.db2.gz ADRCXBHSWCFIOM-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001266120411 1323691545 /nfs/dbraw/zinc/69/15/45/1323691545.db2.gz YMLNGMQRVORNOZ-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001266217439 1323785498 /nfs/dbraw/zinc/78/54/98/1323785498.db2.gz ZYPGIFYOBKCBGG-MOPGFXCFSA-N 2 0 333.520 2.489 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CCc3nccn3C)C[C@H]2C1 ZINC001279381139 1323891690 /nfs/dbraw/zinc/89/16/90/1323891690.db2.gz WFCGULDCUVODBP-FPXTWJHWSA-N 2 0 330.476 2.099 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001280173655 1324103163 /nfs/dbraw/zinc/10/31/63/1324103163.db2.gz QOIBTHLEBDMOLU-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001280372186 1324182293 /nfs/dbraw/zinc/18/22/93/1324182293.db2.gz WLKNUSCWIYOINK-BRWVUGGUSA-N 2 0 327.488 2.343 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC001281476073 1325146605 /nfs/dbraw/zinc/14/66/05/1325146605.db2.gz PAHSZRZMWJXCNS-HKUYNNGSSA-N 2 0 331.504 2.396 10 0 EEAERP Cc1ccccc1CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001282073774 1325610939 /nfs/dbraw/zinc/61/09/39/1325610939.db2.gz HCDRVSKCUHWTQV-SYYJFZTOSA-N 2 0 343.515 2.364 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001282581934 1325744962 /nfs/dbraw/zinc/74/49/62/1325744962.db2.gz LNIDWNNUKOLHNZ-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccs1 ZINC001283174161 1325944564 /nfs/dbraw/zinc/94/45/64/1325944564.db2.gz QXHNNWFLMKEDEJ-CABCVRRESA-N 2 0 338.521 2.390 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccsc1 ZINC001283613633 1326162900 /nfs/dbraw/zinc/16/29/00/1326162900.db2.gz YQWFCAZSRVXKHL-MAUKXSAKSA-N 2 0 349.544 2.459 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1)[NH+](C)C ZINC001491765613 1330247320 /nfs/dbraw/zinc/24/73/20/1330247320.db2.gz IOAUZBKTYKUFQD-ROUUACIJSA-N 2 0 335.467 2.289 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854917 1330275273 /nfs/dbraw/zinc/27/52/73/1330275273.db2.gz AMNNNGBJAGGRFB-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001491891840 1330292067 /nfs/dbraw/zinc/29/20/67/1330292067.db2.gz OQHJEOJHSFFOIT-HOTGVXAUSA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCOCC2CCC2)C1)[NH+](C)C ZINC001491951830 1330343695 /nfs/dbraw/zinc/34/36/95/1330343695.db2.gz MTJUYEOULVAAIC-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001492046489 1330419914 /nfs/dbraw/zinc/41/99/14/1330419914.db2.gz MGIOCWQNJYNQQG-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001492128532 1330981647 /nfs/dbraw/zinc/98/16/47/1330981647.db2.gz WNESRDRHASIBNU-NVXWUHKLSA-N 2 0 335.467 2.194 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)sc1C ZINC001492082652 1330991064 /nfs/dbraw/zinc/99/10/64/1330991064.db2.gz FNEUMQZLUMBWEL-CHWSQXEVSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316851140 1331445917 /nfs/dbraw/zinc/44/59/17/1331445917.db2.gz QDGPPVLJUACVFZ-RHSMWYFYSA-N 2 0 333.467 2.385 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cnc(C)o1 ZINC001316911288 1331976972 /nfs/dbraw/zinc/97/69/72/1331976972.db2.gz ORYZCYMVNBWHID-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccc(F)cc2)C2CC2)C1 ZINC001316926294 1331993354 /nfs/dbraw/zinc/99/33/54/1331993354.db2.gz ICJIJBHDBLLINP-MRXNPFEDSA-N 2 0 333.451 2.248 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)O1 ZINC001316935819 1332001458 /nfs/dbraw/zinc/00/14/58/1332001458.db2.gz PLSGVAKEKHLXIR-AEFFLSMTSA-N 2 0 339.524 2.209 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001317090857 1332075372 /nfs/dbraw/zinc/07/53/72/1332075372.db2.gz HFQGVCONIGPPMQ-SHTZXODSSA-N 2 0 338.883 2.204 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001317105824 1332081792 /nfs/dbraw/zinc/08/17/92/1332081792.db2.gz WCEYPYXLKOTEJE-FGTMMUONSA-N 2 0 333.451 2.089 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001317174037 1332113395 /nfs/dbraw/zinc/11/33/95/1332113395.db2.gz QAYDLHLRDOHXIZ-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCOc1ccccc1 ZINC001317241372 1332148888 /nfs/dbraw/zinc/14/88/88/1332148888.db2.gz LYZWWTPKXQFSBC-QGZVFWFLSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001317241888 1332149439 /nfs/dbraw/zinc/14/94/39/1332149439.db2.gz OGKLWAJAMPWJBH-FXAWDEMLSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001317320630 1332178024 /nfs/dbraw/zinc/17/80/24/1332178024.db2.gz APOKVXBCRPJLRR-JMTIOVQLSA-N 2 0 341.499 2.478 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001317332343 1332183192 /nfs/dbraw/zinc/18/31/92/1332183192.db2.gz ANCPMOKWKKHALG-IUYMFKLXSA-N 2 0 329.488 2.480 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001317339117 1332185306 /nfs/dbraw/zinc/18/53/06/1332185306.db2.gz QIZFPHWKJSTTHP-GKXYRXCGSA-N 2 0 345.890 2.390 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001317687221 1332373783 /nfs/dbraw/zinc/37/37/83/1332373783.db2.gz WSHDIPYIAVVTPT-KRWDZBQOSA-N 2 0 348.491 2.042 10 0 EEAERP CCc1nocc1C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001317699692 1332378288 /nfs/dbraw/zinc/37/82/88/1332378288.db2.gz WVDRJNBIJDFCDP-QGZVFWFLSA-N 2 0 336.480 2.048 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317985199 1332457565 /nfs/dbraw/zinc/45/75/65/1332457565.db2.gz QQNWHCMOVLIPLX-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318168203 1332481609 /nfs/dbraw/zinc/48/16/09/1332481609.db2.gz ASAMWERATPQLPG-IBGZPJMESA-N 2 0 343.515 2.399 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001318779261 1332594415 /nfs/dbraw/zinc/59/44/15/1332594415.db2.gz GTUGBZWVRWZAIH-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP COCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001318807162 1332602268 /nfs/dbraw/zinc/60/22/68/1332602268.db2.gz WPKSDUICOJYKKL-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ncccc2C)CC1)[NH+](C)C ZINC001318915231 1332622958 /nfs/dbraw/zinc/62/29/58/1332622958.db2.gz OKMSWDMYXPHOCB-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CCF)CC1)[NH+]1CCCC1 ZINC001318937310 1332626670 /nfs/dbraw/zinc/62/66/70/1332626670.db2.gz KIQJRHFAUASKLP-QGZVFWFLSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CCOCC)C2)CC1 ZINC001319145006 1332657268 /nfs/dbraw/zinc/65/72/68/1332657268.db2.gz MQKQGIMUSKISFX-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320371727 1332869406 /nfs/dbraw/zinc/86/94/06/1332869406.db2.gz LYELDKAYBXDWMC-KSSFIOAISA-N 2 0 328.460 2.247 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1C1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921614 1332979730 /nfs/dbraw/zinc/97/97/30/1332979730.db2.gz NRRQOUDABVXBFM-SFHVURJKSA-N 2 0 329.488 2.454 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320928423 1332980998 /nfs/dbraw/zinc/98/09/98/1332980998.db2.gz KGSMYYJZJIDGFW-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001320997756 1332993983 /nfs/dbraw/zinc/99/39/83/1332993983.db2.gz KWKSKIXEXSVVMT-PHWHVTFISA-N 2 0 345.487 2.038 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001321120408 1333023475 /nfs/dbraw/zinc/02/34/75/1333023475.db2.gz IJKZCOMDZLEMQW-RTLBZRNLSA-N 2 0 340.471 2.414 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001321305128 1333069462 /nfs/dbraw/zinc/06/94/62/1333069462.db2.gz QRUUWOAESZEWBP-AATRIKPKSA-N 2 0 348.491 2.039 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338355 1333078141 /nfs/dbraw/zinc/07/81/41/1333078141.db2.gz RGPCNLAZDSQCBU-GWQWAINWSA-N 2 0 331.435 2.245 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1cc(F)ccc1F ZINC001321337606 1333078426 /nfs/dbraw/zinc/07/84/26/1333078426.db2.gz PRFRNQKGKWRMBX-SFAKSCPVSA-N 2 0 349.425 2.384 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1F ZINC001321419784 1333101022 /nfs/dbraw/zinc/10/10/22/1333101022.db2.gz QORNTGJNMCRYSQ-MJRGOJFPSA-N 2 0 333.451 2.462 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001322553763 1333281704 /nfs/dbraw/zinc/28/17/04/1333281704.db2.gz AIEVQODZYDAQQO-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001324249706 1333642538 /nfs/dbraw/zinc/64/25/38/1333642538.db2.gz ABVZGBQOSAYNDX-CHYADLBTSA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001326365121 1334076704 /nfs/dbraw/zinc/07/67/04/1334076704.db2.gz NMGBQZZTIDSWOK-ZFWWWQNUSA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nccn1C ZINC001675986432 1357082338 /nfs/dbraw/zinc/08/23/38/1357082338.db2.gz UPFZPNAWVSBXSK-DLBZAZTESA-N 2 0 349.523 2.058 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCCF)C1 ZINC001328694112 1334500970 /nfs/dbraw/zinc/50/09/70/1334500970.db2.gz RAWCRCXALUYKGN-POZUXBRTSA-N 2 0 333.451 2.060 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F ZINC001329358903 1334633800 /nfs/dbraw/zinc/63/38/00/1334633800.db2.gz UEZPFDYBJBWMAU-UHFFFAOYSA-N 2 0 325.419 2.353 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001330432128 1334843574 /nfs/dbraw/zinc/84/35/74/1334843574.db2.gz VZQFMQRDZNPNPX-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001331942643 1335682717 /nfs/dbraw/zinc/68/27/17/1335682717.db2.gz DFXGUOUOYAGYDV-MJGOQNOKSA-N 2 0 347.503 2.293 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001345139540 1337427718 /nfs/dbraw/zinc/42/77/18/1337427718.db2.gz AKXKFSYWYLUCRP-IRXDYDNUSA-N 2 0 334.439 2.012 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C/c1ccncc1 ZINC000847419338 1338046724 /nfs/dbraw/zinc/04/67/24/1338046724.db2.gz SPNWXGOQPCCXTO-POWXATIXSA-N 2 0 344.503 2.359 10 0 EEAERP C[C@H]1CN(C(=[NH2+])NCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000849094604 1338838066 /nfs/dbraw/zinc/83/80/66/1338838066.db2.gz DALIHBOHOUETCX-INIZCTEOSA-N 2 0 330.476 2.418 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC001434428174 1341842236 /nfs/dbraw/zinc/84/22/36/1341842236.db2.gz LDEPLMLZZLFLLL-FHWLQOOXSA-N 2 0 327.472 2.376 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)c1 ZINC001436313266 1342020552 /nfs/dbraw/zinc/02/05/52/1342020552.db2.gz BEQUHUJKRNTIQI-SFHVURJKSA-N 2 0 347.503 2.167 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001436363447 1342053601 /nfs/dbraw/zinc/05/36/01/1342053601.db2.gz GPKZJGYOSQIKCQ-YQQAZPJKSA-N 2 0 335.517 2.383 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001436368181 1342055940 /nfs/dbraw/zinc/05/59/40/1342055940.db2.gz VWGREJOOYIMGEA-WOVMCDHWSA-N 2 0 335.879 2.420 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001500258398 1342116567 /nfs/dbraw/zinc/11/65/67/1342116567.db2.gz SFRMASUULXFGSX-QZTJIDSGSA-N 2 0 325.472 2.190 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001506574672 1342255523 /nfs/dbraw/zinc/25/55/23/1342255523.db2.gz WUKGDNKXMILVEQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ocnc1C ZINC001506579738 1342258064 /nfs/dbraw/zinc/25/80/64/1342258064.db2.gz OPUHQBJBPVQRTD-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2cnccc2C)CC1(C)C ZINC001506750700 1342314256 /nfs/dbraw/zinc/31/42/56/1342314256.db2.gz HATOGQPQEOWADZ-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC001673923645 1356760873 /nfs/dbraw/zinc/76/08/73/1356760873.db2.gz MLFYLGXQZLZJEM-ZFWWWQNUSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001569818694 1342951208 /nfs/dbraw/zinc/95/12/08/1342951208.db2.gz FSJXLVLRZMMOHW-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001569995377 1342993415 /nfs/dbraw/zinc/99/34/15/1342993415.db2.gz SSATUACWRJTRKP-PXTSUWAFSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001570022194 1343002050 /nfs/dbraw/zinc/00/20/50/1343002050.db2.gz PJMRFBJAGVHYBI-INIZCTEOSA-N 2 0 335.467 2.494 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001570183323 1343028980 /nfs/dbraw/zinc/02/89/80/1343028980.db2.gz IHYNMSHEQOSYSF-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001570183324 1343029049 /nfs/dbraw/zinc/02/90/49/1343029049.db2.gz IHYNMSHEQOSYSF-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001570446002 1343071588 /nfs/dbraw/zinc/07/15/88/1343071588.db2.gz SEFCCDBCMXZOKU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001570513223 1343077722 /nfs/dbraw/zinc/07/77/22/1343077722.db2.gz HHQWGFIVSITRMX-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001570516022 1343078102 /nfs/dbraw/zinc/07/81/02/1343078102.db2.gz SMAYGHFNYWBHHN-ZDUSSCGKSA-N 2 0 333.398 2.005 10 0 EEAERP CC(C)[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001676109866 1357107890 /nfs/dbraw/zinc/10/78/90/1357107890.db2.gz PFRULCXPDNQGNQ-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)CN1C(=O)CCCC[NH+](C)C ZINC001571490276 1343218476 /nfs/dbraw/zinc/21/84/76/1343218476.db2.gz BMEPNIUPOCLHPY-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCCCC(F)(F)F)C(C)(C)C1 ZINC001571563973 1343238385 /nfs/dbraw/zinc/23/83/85/1343238385.db2.gz UOZQSSZVVIETPY-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001676952425 1357248199 /nfs/dbraw/zinc/24/81/99/1357248199.db2.gz WJOBVXOVXLUXBP-RTBURBONSA-N 2 0 343.515 2.445 10 0 EEAERP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001677028563 1357265524 /nfs/dbraw/zinc/26/55/24/1357265524.db2.gz PSCNNUINBWZSAH-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH2+]CCCF ZINC001677032725 1357266032 /nfs/dbraw/zinc/26/60/32/1357266032.db2.gz JSRAKWOQAMPKSB-KRWDZBQOSA-N 2 0 339.499 2.295 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677263699 1357304543 /nfs/dbraw/zinc/30/45/43/1357304543.db2.gz XMFXGUHZBYLNNE-CABCVRRESA-N 2 0 327.488 2.483 10 0 EEAERP CCOCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001677371895 1357322681 /nfs/dbraw/zinc/32/26/81/1357322681.db2.gz MWGCENVTVCOKTM-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001649465468 1353520224 /nfs/dbraw/zinc/52/02/24/1353520224.db2.gz XRJDBYMVJDVTDC-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)co1 ZINC001671250696 1353923794 /nfs/dbraw/zinc/92/37/94/1353923794.db2.gz FAGZCGUOOACVEC-ZBFHGGJFSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC001660408738 1354459286 /nfs/dbraw/zinc/45/92/86/1354459286.db2.gz MRLAUVXHENKUNV-ZIAGYGMSSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001660627644 1354504057 /nfs/dbraw/zinc/50/40/57/1354504057.db2.gz BXZUDDGGEOZIEF-PKOBYXMFSA-N 2 0 329.488 2.454 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2cc(C)ccc2C)C1)[NH+](C)C ZINC001661496324 1354645803 /nfs/dbraw/zinc/64/58/03/1354645803.db2.gz UAWPUBPUWAROKT-BZSNNMDCSA-N 2 0 347.503 2.259 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001661813426 1354701576 /nfs/dbraw/zinc/70/15/76/1354701576.db2.gz BXGGXLFDCXCJHG-SFHVURJKSA-N 2 0 347.503 2.154 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CCC([NH2+]CCCO)CC1 ZINC001662116994 1354751611 /nfs/dbraw/zinc/75/16/11/1354751611.db2.gz IAQGUUHEUDDBSA-UHFFFAOYSA-N 2 0 339.524 2.039 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1cscn1 ZINC001663092860 1354911183 /nfs/dbraw/zinc/91/11/83/1354911183.db2.gz GJDHEKRQGLFLCN-JKSUJKDBSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663493084 1354971044 /nfs/dbraw/zinc/97/10/44/1354971044.db2.gz LLRSYRCXRGGIQB-QZTJIDSGSA-N 2 0 339.524 2.255 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001665787488 1355387848 /nfs/dbraw/zinc/38/78/48/1355387848.db2.gz GHAGVPRYDBWHNZ-PMACEKPBSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001667441440 1355742460 /nfs/dbraw/zinc/74/24/60/1355742460.db2.gz YMDFNSJFZBFFHP-HUUCEWRRSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116925 1355875170 /nfs/dbraw/zinc/87/51/70/1355875170.db2.gz BNVZZDSOHIYKHX-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCOC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001668153256 1355886734 /nfs/dbraw/zinc/88/67/34/1355886734.db2.gz SJXKHPGTRXWLJO-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001668435661 1355940483 /nfs/dbraw/zinc/94/04/83/1355940483.db2.gz NSFFQYKFTDGQSM-ZWKOTPCHSA-N 2 0 349.523 2.132 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)cc1F ZINC001668865494 1356028888 /nfs/dbraw/zinc/02/88/88/1356028888.db2.gz YQFTXQQFBQWHLF-PLNGDYQASA-N 2 0 349.450 2.081 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccnc2C)C1 ZINC001668995024 1356062920 /nfs/dbraw/zinc/06/29/20/1356062920.db2.gz GIHAUBXPCNGEKV-PHWHVTFISA-N 2 0 344.503 2.274 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669292277 1356141229 /nfs/dbraw/zinc/14/12/29/1356141229.db2.gz BJKMUTKLIHRTAR-RHSMWYFYSA-N 2 0 349.906 2.319 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001670100160 1356275627 /nfs/dbraw/zinc/27/56/27/1356275627.db2.gz SVFZAEGFBBEASG-ZWKOTPCHSA-N 2 0 335.467 2.494 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC001698700790 1405018469 /nfs/dbraw/zinc/01/84/69/1405018469.db2.gz AWIHKQPYWMCQES-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698861298 1405117019 /nfs/dbraw/zinc/11/70/19/1405117019.db2.gz OQODLFCITZKFLX-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)n1 ZINC001699136117 1405285403 /nfs/dbraw/zinc/28/54/03/1405285403.db2.gz ROCCXPASAKBIHB-GDBMZVCRSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)CCc1cncn1C ZINC001699549324 1405383393 /nfs/dbraw/zinc/38/33/93/1405383393.db2.gz CKFYOQRMLIKRBP-UHFFFAOYSA-N 2 0 328.460 2.299 10 0 EEAERP CO[C@H](C)C[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001699700099 1405453292 /nfs/dbraw/zinc/45/32/92/1405453292.db2.gz LYWXJXBLCDUYCJ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP COC[C@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000930044495 769474101 /nfs/dbraw/zinc/47/41/01/769474101.db2.gz CIDBCTZRVIAZAL-SFHVURJKSA-N 2 0 325.541 2.395 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000846983825 790791465 /nfs/dbraw/zinc/79/14/65/790791465.db2.gz NQUWLKBGYVOADJ-UHFFFAOYSA-N 2 0 328.863 2.380 10 0 EEAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C12CCC2 ZINC000912603161 788261823 /nfs/dbraw/zinc/26/18/23/788261823.db2.gz YEDCMYNSEQMTGM-DLBZAZTESA-N 2 0 349.519 2.011 10 0 EEAERP C[C@H](C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[NH+](C)C ZINC000913083735 788615418 /nfs/dbraw/zinc/61/54/18/788615418.db2.gz DRSSDNAOSDVISI-UXPWSPDFSA-N 2 0 329.488 2.307 10 0 EEAERP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317179 789359232 /nfs/dbraw/zinc/35/92/32/789359232.db2.gz BEIDXXZSPZKDKL-AWEZNQCLSA-N 2 0 330.350 2.396 10 0 EEAERP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450905 789582011 /nfs/dbraw/zinc/58/20/11/789582011.db2.gz YBZKKNCNVBHLHG-HNNXBMFYSA-N 2 0 349.450 2.293 10 0 EEAERP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495550 789652697 /nfs/dbraw/zinc/65/26/97/789652697.db2.gz CDQJDXHGGWPWRS-RBSFLKMASA-N 2 0 326.444 2.479 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923490548 789659392 /nfs/dbraw/zinc/65/93/92/789659392.db2.gz DMJFAFCZCMWEPH-UXIGCNINSA-N 2 0 327.266 2.399 10 0 EEAERP C[C@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)CC[C@H]1C[NH3+] ZINC000923497130 789671293 /nfs/dbraw/zinc/67/12/93/789671293.db2.gz FDXAHZAUOXNXRW-STQMWFEESA-N 2 0 334.395 2.204 10 0 EEAERP C[N@H+](CC(=O)NCCn1cncc1-c1ccccc1)[C@H]1CCSC1 ZINC000913711195 794164170 /nfs/dbraw/zinc/16/41/70/794164170.db2.gz KWNBOXGJBMIKLN-INIZCTEOSA-N 2 0 344.484 2.104 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1cccnc1 ZINC000913874353 794456411 /nfs/dbraw/zinc/45/64/11/794456411.db2.gz FMCYPAIRKDLOAB-KRWDZBQOSA-N 2 0 347.507 2.248 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913891073 794490722 /nfs/dbraw/zinc/49/07/22/794490722.db2.gz IORNBVHNLDWTMQ-KFWWJZLASA-N 2 0 336.505 2.277 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000915135153 795669776 /nfs/dbraw/zinc/66/97/76/795669776.db2.gz FABHYAKREQBFPK-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726369 796448293 /nfs/dbraw/zinc/44/82/93/796448293.db2.gz DEGDMOOEHCELJE-GBBGEASQSA-N 2 0 327.472 2.296 10 0 EEAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000922687544 801669526 /nfs/dbraw/zinc/66/95/26/801669526.db2.gz YGZHDVPIHJCPMQ-SJORKVTESA-N 2 0 336.501 2.239 10 0 EEAERP COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)C2 ZINC000790442573 808712436 /nfs/dbraw/zinc/71/24/36/808712436.db2.gz NJEBVHASIAJWMH-MRXNPFEDSA-N 2 0 343.471 2.272 10 0 EEAERP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C[NH2+]CCCF)C1 ZINC001565979372 1125480484 /nfs/dbraw/zinc/48/04/84/1125480484.db2.gz OVZBCBSMUZJEMN-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1sc(C)nc1C ZINC001566575212 1125756640 /nfs/dbraw/zinc/75/66/40/1125756640.db2.gz ZIOYMXGNZGIRIO-UHFFFAOYSA-N 2 0 338.521 2.184 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001436415959 1087772770 /nfs/dbraw/zinc/77/27/70/1087772770.db2.gz OVIWMMFNUMTCSX-CFVMTHIKSA-N 2 0 347.425 2.155 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)OC)CC(C)(C)C1 ZINC001436502049 1088031213 /nfs/dbraw/zinc/03/12/13/1088031213.db2.gz VVQXEKOKQBJDJV-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c(C)n1 ZINC001436786556 1088341963 /nfs/dbraw/zinc/34/19/63/1088341963.db2.gz JDORHSMITUENKU-LZQZEXGQSA-N 2 0 344.503 2.023 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001436904853 1088561827 /nfs/dbraw/zinc/56/18/27/1088561827.db2.gz VDZBKWRRCSRWDS-SOQBPEJJSA-N 2 0 334.291 2.417 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)s2)C1)[NH+](C)C ZINC001436956386 1088643985 /nfs/dbraw/zinc/64/39/85/1088643985.db2.gz USEKACKMWOMDEQ-WDMOLILDSA-N 2 0 344.912 2.120 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437058001 1088955591 /nfs/dbraw/zinc/95/55/91/1088955591.db2.gz GFMAYPWZEZMHGG-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001437058049 1088955832 /nfs/dbraw/zinc/95/58/32/1088955832.db2.gz GUMGHEHPJDQTCK-HZPDHXFCSA-N 2 0 348.466 2.033 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC001437086379 1089032652 /nfs/dbraw/zinc/03/26/52/1089032652.db2.gz GKLOJHXKFDIHOB-UHFFFAOYSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001437212905 1089292501 /nfs/dbraw/zinc/29/25/01/1089292501.db2.gz HMOCZMXIJLSVBM-ZFWWWQNUSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001437256922 1089388785 /nfs/dbraw/zinc/38/87/85/1089388785.db2.gz BLDBGSXLGUHNLQ-JSGCOSHPSA-N 2 0 343.393 2.251 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001437333620 1089517963 /nfs/dbraw/zinc/51/79/63/1089517963.db2.gz VJEDADUULMZXTO-INIZCTEOSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001437420984 1089703984 /nfs/dbraw/zinc/70/39/84/1089703984.db2.gz GEOJSOFXHAHQFD-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001437881303 1090456475 /nfs/dbraw/zinc/45/64/75/1090456475.db2.gz PHNSFVGDOJFZQV-IBGZPJMESA-N 2 0 340.471 2.289 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001437973586 1090563783 /nfs/dbraw/zinc/56/37/83/1090563783.db2.gz CWTJMRGSVGVCFG-IRXDYDNUSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437976899 1090568566 /nfs/dbraw/zinc/56/85/66/1090568566.db2.gz HBMUCXULEVKGIW-CVEARBPZSA-N 2 0 325.472 2.143 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]Cc1cncs1)NC(=O)CC[NH+](C)C ZINC001438433989 1090935375 /nfs/dbraw/zinc/93/53/75/1090935375.db2.gz WKTGCMOWIXLPBS-RHSMWYFYSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001438652247 1091138177 /nfs/dbraw/zinc/13/81/77/1091138177.db2.gz NTANYZUIWMPSNE-BBRMVZONSA-N 2 0 336.480 2.101 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001438666166 1091154706 /nfs/dbraw/zinc/15/47/06/1091154706.db2.gz SFRPSGHJJAWEBU-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP COCC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001445425454 1091181335 /nfs/dbraw/zinc/18/13/35/1091181335.db2.gz WHOUSHQZVSNJMS-NEWSRXKRSA-N 2 0 347.503 2.343 10 0 EEAERP COc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1C ZINC001438797790 1091403019 /nfs/dbraw/zinc/40/30/19/1091403019.db2.gz PGWZSFCLGJHFLX-ROUUACIJSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001438963650 1091655603 /nfs/dbraw/zinc/65/56/03/1091655603.db2.gz NMGZNWZTHZUIOR-YJBOKZPZSA-N 2 0 335.467 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001445902146 1091828036 /nfs/dbraw/zinc/82/80/36/1091828036.db2.gz QYXWGUROVZNAPM-DOTOQJQBSA-N 2 0 336.480 2.089 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001439256223 1091905429 /nfs/dbraw/zinc/90/54/29/1091905429.db2.gz HEFLCVKWRBTPOU-WMLDXEAASA-N 2 0 336.480 2.094 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001445981466 1091943676 /nfs/dbraw/zinc/94/36/76/1091943676.db2.gz FOALTXPJALBXSV-ICSRJNTNSA-N 2 0 345.462 2.296 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445982444 1091945425 /nfs/dbraw/zinc/94/54/25/1091945425.db2.gz AJHHUDXDPWMYBV-RTBURBONSA-N 2 0 329.488 2.240 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001439492228 1092317818 /nfs/dbraw/zinc/31/78/18/1092317818.db2.gz ISZXBCRRFZCQDJ-SFHVURJKSA-N 2 0 333.451 2.214 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001446254380 1092383458 /nfs/dbraw/zinc/38/34/58/1092383458.db2.gz YLRPAKFBMVGGMK-QZTJIDSGSA-N 2 0 342.487 2.145 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC001439609230 1092516520 /nfs/dbraw/zinc/51/65/20/1092516520.db2.gz WVPNOIRTGDXHNK-DOTOQJQBSA-N 2 0 333.451 2.294 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)C12CCC[NH+]1CCC2 ZINC001439627639 1092542737 /nfs/dbraw/zinc/54/27/37/1092542737.db2.gz KFJBHHIZRVXLOB-ZACQAIPSSA-N 2 0 331.504 2.289 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001439811425 1092779804 /nfs/dbraw/zinc/77/98/04/1092779804.db2.gz ILBILVAUGXWQGZ-RTBURBONSA-N 2 0 344.503 2.106 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001439880389 1092928433 /nfs/dbraw/zinc/92/84/33/1092928433.db2.gz BDYICXTTZYTAHO-HOCLYGCPSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440136509 1093203055 /nfs/dbraw/zinc/20/30/55/1093203055.db2.gz QTOXDUOCSPXZAO-RDJZCZTQSA-N 2 0 335.467 2.270 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cnc(C)cn2)C1 ZINC001440412156 1093606227 /nfs/dbraw/zinc/60/62/27/1093606227.db2.gz QDWOPOFJUTWLGU-YESZJQIVSA-N 2 0 347.507 2.062 10 0 EEAERP CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001440531030 1093790076 /nfs/dbraw/zinc/79/00/76/1093790076.db2.gz MEFJTKXCYVPQHC-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)OC ZINC001440538310 1093804779 /nfs/dbraw/zinc/80/47/79/1093804779.db2.gz KFHICFBIRKIFBZ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440540233 1093807239 /nfs/dbraw/zinc/80/72/39/1093807239.db2.gz SAFXVPIAQJIYKJ-OAHLLOKOSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@@H]([NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1)c1ccccc1 ZINC001440572925 1093842736 /nfs/dbraw/zinc/84/27/36/1093842736.db2.gz IDJXYVWYEAEPPJ-QGZVFWFLSA-N 2 0 347.503 2.344 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001448777349 1093856419 /nfs/dbraw/zinc/85/64/19/1093856419.db2.gz OHISNOJBBXGOFA-APWZRJJASA-N 2 0 346.519 2.447 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001440656907 1093929433 /nfs/dbraw/zinc/92/94/33/1093929433.db2.gz ZAPYBRALJXSXRG-YTQUADARSA-N 2 0 331.504 2.444 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]C/C=C/Cl)C1 ZINC001440722615 1093967124 /nfs/dbraw/zinc/96/71/24/1093967124.db2.gz RYTJIBFGWLKWFF-JNQQNOTBSA-N 2 0 333.863 2.062 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001449007913 1094008007 /nfs/dbraw/zinc/00/80/07/1094008007.db2.gz HURVZBSRFMKWQT-RLFYNMQTSA-N 2 0 325.472 2.190 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001449031604 1094041344 /nfs/dbraw/zinc/04/13/44/1094041344.db2.gz FBHVRFQSKQHDKE-IPMKNSEASA-N 2 0 344.503 2.139 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440849270 1094107512 /nfs/dbraw/zinc/10/75/12/1094107512.db2.gz BKOHZRBNWZMMJY-KGLIPLIRSA-N 2 0 338.496 2.429 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C)o1 ZINC001449285652 1094235001 /nfs/dbraw/zinc/23/50/01/1094235001.db2.gz BGHHDZDOVYBMFT-HNNXBMFYSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001441001479 1094274467 /nfs/dbraw/zinc/27/44/67/1094274467.db2.gz RLDTVRWGQWSUEO-ZBFHGGJFSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](O)C[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001441109505 1094421522 /nfs/dbraw/zinc/42/15/22/1094421522.db2.gz QJKKRSMGSSSFDF-MRXNPFEDSA-N 2 0 347.503 2.151 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001441292472 1094726694 /nfs/dbraw/zinc/72/66/94/1094726694.db2.gz GVFKTLAUHBLOMN-HOTGVXAUSA-N 2 0 343.462 2.391 10 0 EEAERP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)cs1 ZINC001441313962 1094768893 /nfs/dbraw/zinc/76/88/93/1094768893.db2.gz RTYDHRRDCCOPIV-OSYLJGHBSA-N 2 0 347.528 2.335 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ocnc3C)C[C@@H]2C1 ZINC001441331919 1094797161 /nfs/dbraw/zinc/79/71/61/1094797161.db2.gz BMYLVKAXUMESKR-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cncc(C[NH+]2CCCC3(CN(C(=O)C[N@@H+](C)C(C)C)C3)C2)c1 ZINC001441334171 1094802792 /nfs/dbraw/zinc/80/27/92/1094802792.db2.gz DVMMMQUOOLCKPF-UHFFFAOYSA-N 2 0 344.503 2.155 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCCF)C[C@H]2C1 ZINC001441340246 1094832849 /nfs/dbraw/zinc/83/28/49/1094832849.db2.gz MPLBTBPBSHQEEQ-RCCFBDPRSA-N 2 0 339.499 2.439 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCC[C@H]2CCOC2)CC1 ZINC001441385029 1094932677 /nfs/dbraw/zinc/93/26/77/1094932677.db2.gz AAGWCKGVGYRYJZ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCOC1CCC1)CC2 ZINC001441861933 1095965049 /nfs/dbraw/zinc/96/50/49/1095965049.db2.gz KFUSBYKVXFORRM-MJGOQNOKSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001441862782 1095965790 /nfs/dbraw/zinc/96/57/90/1095965790.db2.gz WLVJQPGRZNSCJT-MAUKXSAKSA-N 2 0 349.523 2.240 10 0 EEAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001441872418 1095988806 /nfs/dbraw/zinc/98/88/06/1095988806.db2.gz VTMZODCWEZMXFV-DOTOQJQBSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(C(F)F)c1 ZINC001442014003 1096219802 /nfs/dbraw/zinc/21/98/02/1096219802.db2.gz UIGRAQDNSRBVCA-ZDUSSCGKSA-N 2 0 337.414 2.314 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]Cc1ccsc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001442172529 1096437268 /nfs/dbraw/zinc/43/72/68/1096437268.db2.gz QOWPOZRFQADVNT-HNNXBMFYSA-N 2 0 335.517 2.464 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccccn2)C1 ZINC001442232268 1096532581 /nfs/dbraw/zinc/53/25/81/1096532581.db2.gz KETGNDQEHBOXCJ-LXPRWKDFSA-N 2 0 330.476 2.035 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC001442251723 1096552453 /nfs/dbraw/zinc/55/24/53/1096552453.db2.gz NDEBWICFMWIPOM-XJKSGUPXSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](CCC4CC4)CC3)CC2)C1 ZINC001442279256 1096590026 /nfs/dbraw/zinc/59/00/26/1096590026.db2.gz NKFLEAUJMYXXNJ-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1)[NH+]1CCCC1 ZINC001442339874 1096662203 /nfs/dbraw/zinc/66/22/03/1096662203.db2.gz XUYVLSCTJRNRCG-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443266593 1097746600 /nfs/dbraw/zinc/74/66/00/1097746600.db2.gz GVTNDMOMDXMRSY-SJLPKXTDSA-N 2 0 347.478 2.414 10 0 EEAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001443319139 1097807227 /nfs/dbraw/zinc/80/72/27/1097807227.db2.gz ANPBSIZFQDHHLI-INIZCTEOSA-N 2 0 325.472 2.002 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001443980353 1098496689 /nfs/dbraw/zinc/49/66/89/1098496689.db2.gz IJWFGMXVMHTEIF-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP CC[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001443990666 1098506784 /nfs/dbraw/zinc/50/67/84/1098506784.db2.gz VGOYDGDSLAYJAJ-YJBOKZPZSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ncccc1C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001444092866 1098624835 /nfs/dbraw/zinc/62/48/35/1098624835.db2.gz WONVDZCMRRDGSE-UHFFFAOYSA-N 2 0 330.476 2.004 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccns1)NC(=O)CC[NH+](C)C ZINC001444149170 1098690285 /nfs/dbraw/zinc/69/02/85/1098690285.db2.gz ASYBSOOYQQCZBI-RHSMWYFYSA-N 2 0 338.521 2.250 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001479695247 1098763619 /nfs/dbraw/zinc/76/36/19/1098763619.db2.gz JTTSXAVCVHEBDY-GOSISDBHSA-N 2 0 339.524 2.260 10 0 EEAERP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001479736645 1098847115 /nfs/dbraw/zinc/84/71/15/1098847115.db2.gz MWEJVQCJRJRWAB-CVEARBPZSA-N 2 0 344.459 2.296 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)CC(C)(C)C1 ZINC001479744364 1098872460 /nfs/dbraw/zinc/87/24/60/1098872460.db2.gz FHSHVMXKRKMZMW-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001479815169 1099087152 /nfs/dbraw/zinc/08/71/52/1099087152.db2.gz AOGNDVFWBLIUFN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001479873896 1099226632 /nfs/dbraw/zinc/22/66/32/1099226632.db2.gz OBXRXWNIJDWVSQ-IBGZPJMESA-N 2 0 344.503 2.345 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001444509072 1099247617 /nfs/dbraw/zinc/24/76/17/1099247617.db2.gz LBRDEYWFWUPDAN-OWCLPIDISA-N 2 0 327.488 2.483 10 0 EEAERP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001479895833 1099274204 /nfs/dbraw/zinc/27/42/04/1099274204.db2.gz BDPMMIWAWZNQIV-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CCc2cccs2)C2CC2)C1 ZINC001480060747 1099586443 /nfs/dbraw/zinc/58/64/43/1099586443.db2.gz VNSLPNIQEZQJLX-RHSMWYFYSA-N 2 0 335.517 2.117 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001480238962 1099871020 /nfs/dbraw/zinc/87/10/20/1099871020.db2.gz ZDXXLKCZSKXEDD-GASCZTMLSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444986062 1100113731 /nfs/dbraw/zinc/11/37/31/1100113731.db2.gz FVMHRXGZJHDDTF-APWZRJJASA-N 2 0 329.488 2.480 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388693 1100192486 /nfs/dbraw/zinc/19/24/86/1100192486.db2.gz ZLCDVZNHRVIWMV-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001445114880 1100357726 /nfs/dbraw/zinc/35/77/26/1100357726.db2.gz OWTHAOXUFVFUCC-NVXWUHKLSA-N 2 0 336.480 2.006 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001445148253 1100407502 /nfs/dbraw/zinc/40/75/02/1100407502.db2.gz XCIKDRBSZXJHKN-MSOLQXFVSA-N 2 0 333.520 2.441 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001495203273 1100885076 /nfs/dbraw/zinc/88/50/76/1100885076.db2.gz VPOGQMHVGFXORW-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP Cc1ccncc1C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001446479941 1100908589 /nfs/dbraw/zinc/90/85/89/1100908589.db2.gz JOTGFIUVFFGXHE-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ocnc2C)[C@H](C)C1 ZINC001496367209 1100959599 /nfs/dbraw/zinc/95/95/99/1100959599.db2.gz HQXMBWPWKJQRCI-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]C[C@H]1CC(C)(C)CO1)C1CC1 ZINC001495303950 1101005301 /nfs/dbraw/zinc/00/53/01/1101005301.db2.gz SCLXUKQHHXRSQK-APWZRJJASA-N 2 0 339.524 2.016 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001496413990 1101006910 /nfs/dbraw/zinc/00/69/10/1101006910.db2.gz JAKJDMJBZUESJB-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCCCF)CC2)CC1 ZINC001495466421 1101178029 /nfs/dbraw/zinc/17/80/29/1101178029.db2.gz ISTMEBCIXWCEMS-QAQDUYKDSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1OC1CC1 ZINC001495660035 1101399091 /nfs/dbraw/zinc/39/90/91/1101399091.db2.gz MQEQCPAFPPRTSQ-QAPCUYQASA-N 2 0 345.487 2.164 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001497196295 1102109004 /nfs/dbraw/zinc/10/90/04/1102109004.db2.gz VDNPGXCQUYJQHK-YWPYICTPSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497256287 1102203070 /nfs/dbraw/zinc/20/30/70/1102203070.db2.gz PZHLNVJJQACLPA-YCPHGPKFSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001497297229 1102271459 /nfs/dbraw/zinc/27/14/59/1102271459.db2.gz CCBZPQJTZPWWSL-SJLPKXTDSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CC[NH2+]C/C=C\c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497302386 1102282689 /nfs/dbraw/zinc/28/26/89/1102282689.db2.gz BGFDVVGPWLZNBP-AFCDSYGPSA-N 2 0 327.472 2.280 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497303721 1102285788 /nfs/dbraw/zinc/28/57/88/1102285788.db2.gz JNJXXKJPRZXFGX-LSDHHAIUSA-N 2 0 336.480 2.124 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]C[C@H]3CCC(F)(F)C3)CCC2)C1 ZINC001447267550 1102343069 /nfs/dbraw/zinc/34/30/69/1102343069.db2.gz QPBXVPQIOLISLH-CABCVRRESA-N 2 0 343.462 2.392 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001447270490 1102347457 /nfs/dbraw/zinc/34/74/57/1102347457.db2.gz QJYAGZOKEAGJFJ-UHFFFAOYSA-N 2 0 349.450 2.059 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001447338803 1102478379 /nfs/dbraw/zinc/47/83/79/1102478379.db2.gz CXPRWFAVHQTLIP-RBUKOAKNSA-N 2 0 344.503 2.379 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497454751 1102515722 /nfs/dbraw/zinc/51/57/22/1102515722.db2.gz NUOZWEIUFGCPTG-HNNXBMFYSA-N 2 0 335.467 2.414 10 0 EEAERP CCN(CC[NH2+]CCCc1ccccc1C)C(=O)C12CC[NH+](CC1)C2 ZINC001497485771 1102564266 /nfs/dbraw/zinc/56/42/66/1102564266.db2.gz GIVBYHCEKRMBJZ-UHFFFAOYSA-N 2 0 343.515 2.462 10 0 EEAERP CCN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495263 1102581248 /nfs/dbraw/zinc/58/12/48/1102581248.db2.gz BXLLWUBUBFTPIM-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP CCC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001447410028 1102606165 /nfs/dbraw/zinc/60/61/65/1102606165.db2.gz CGIKQYSHIIWVCX-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP CCC(CC)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001447492300 1102740910 /nfs/dbraw/zinc/74/09/10/1102740910.db2.gz LZVWOWQKNZDTMZ-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCOC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497662006 1102850047 /nfs/dbraw/zinc/85/00/47/1102850047.db2.gz IUDPNQBWRAYNOB-JROGSOPMSA-N 2 0 349.519 2.082 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497678327 1102889614 /nfs/dbraw/zinc/88/96/14/1102889614.db2.gz DWUCMRYUABSIQY-NCPUXXIWSA-N 2 0 343.515 2.394 10 0 EEAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001497683684 1102897291 /nfs/dbraw/zinc/89/72/91/1102897291.db2.gz RMOMNAKGRDOSMF-MOZIWPGPSA-N 2 0 347.478 2.342 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCc2ccccc2)CC1(C)C ZINC001447592882 1102934937 /nfs/dbraw/zinc/93/49/37/1102934937.db2.gz WYCWGCVFSHLSCI-SFHVURJKSA-N 2 0 331.504 2.398 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(CF)cc1)C12CC[NH+](CC1)C2 ZINC001497727574 1102975167 /nfs/dbraw/zinc/97/51/67/1102975167.db2.gz OGXRIHPVIPSUDN-OWOJBTEDSA-N 2 0 331.435 2.014 10 0 EEAERP Cc1nccnc1C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001447675513 1103098535 /nfs/dbraw/zinc/09/85/35/1103098535.db2.gz PFUJRGRTWROKAI-DOTOQJQBSA-N 2 0 347.507 2.034 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](C/C=C/Cl)C2)C1 ZINC001447780197 1103315883 /nfs/dbraw/zinc/31/58/83/1103315883.db2.gz XQQRDONMSURNGR-FXEMMDDYSA-N 2 0 327.900 2.251 10 0 EEAERP O=C(NCC[C@H]1CC[N@H+](Cc2ccsc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001494020735 1103364249 /nfs/dbraw/zinc/36/42/49/1103364249.db2.gz NVUAYQHCMMNXFJ-YJBOKZPZSA-N 2 0 347.528 2.418 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001494130434 1103569812 /nfs/dbraw/zinc/56/98/12/1103569812.db2.gz CCXDLEZUSWDASV-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cc(C)no1 ZINC001494994154 1104637979 /nfs/dbraw/zinc/63/79/79/1104637979.db2.gz HQXRSJMEUAUWCI-CRAIPNDOSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(C)nc1C ZINC001495071654 1104711757 /nfs/dbraw/zinc/71/17/57/1104711757.db2.gz HHTJVPJXQDMZAW-CXAGYDPISA-N 2 0 343.475 2.285 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001480623092 1106785119 /nfs/dbraw/zinc/78/51/19/1106785119.db2.gz OBDMJACCOBBBOW-PMACEKPBSA-N 2 0 343.515 2.460 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480680324 1106870734 /nfs/dbraw/zinc/87/07/34/1106870734.db2.gz JUCLOQSAKVJHAO-QGZVFWFLSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001480702638 1106917221 /nfs/dbraw/zinc/91/72/21/1106917221.db2.gz SMPUWODUPANMFY-CABCVRRESA-N 2 0 338.521 2.229 10 0 EEAERP COc1ccc(Cl)c(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001498189372 1107050377 /nfs/dbraw/zinc/05/03/77/1107050377.db2.gz ARWVVDALQRCENB-ZDUSSCGKSA-N 2 0 339.867 2.039 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480822883 1107193764 /nfs/dbraw/zinc/19/37/64/1107193764.db2.gz BTKDQRBPDLVTLQ-BRWVUGGUSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)co1 ZINC001480828824 1107210816 /nfs/dbraw/zinc/21/08/16/1107210816.db2.gz YGBNBWLNOGAXDL-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP COC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001493118904 1107533076 /nfs/dbraw/zinc/53/30/76/1107533076.db2.gz IFNRVCFADWOLJJ-RDJZCZTQSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC001493132982 1107566067 /nfs/dbraw/zinc/56/60/67/1107566067.db2.gz OZYZAADKORLYBP-GOSISDBHSA-N 2 0 340.471 2.267 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001493141414 1107584245 /nfs/dbraw/zinc/58/42/45/1107584245.db2.gz JGFSNMCZVLHCCW-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCCF)[NH+]1CCCC1 ZINC001498493920 1107631302 /nfs/dbraw/zinc/63/13/02/1107631302.db2.gz YTMRTAOVYZTAGQ-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001493210187 1107687737 /nfs/dbraw/zinc/68/77/37/1107687737.db2.gz HCZJJKPKNJUZJG-QAPCUYQASA-N 2 0 348.466 2.033 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001493263563 1107806947 /nfs/dbraw/zinc/80/69/47/1107806947.db2.gz LBXFWWVCBMXGMH-HZPDHXFCSA-N 2 0 343.462 2.346 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001498611849 1107808655 /nfs/dbraw/zinc/80/86/55/1107808655.db2.gz CFIXXACGJJWAKG-OEPRFQHASA-N 2 0 329.488 2.480 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498621229 1107827197 /nfs/dbraw/zinc/82/71/97/1107827197.db2.gz LMFXQYSVONEZGR-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CCC[NH2+]Cc1ncoc1C(C)C ZINC001498647447 1107889501 /nfs/dbraw/zinc/88/95/01/1107889501.db2.gz IEUMVHSDFQGFQV-UHFFFAOYSA-N 2 0 333.436 2.010 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001498658463 1107911177 /nfs/dbraw/zinc/91/11/77/1107911177.db2.gz PIOVVPCZMRYHLY-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001498807047 1108140265 /nfs/dbraw/zinc/14/02/65/1108140265.db2.gz CTRANIWVGYDWAX-UCLAIMLFSA-N 2 0 344.503 2.105 10 0 EEAERP O=C(NCC[N@H+](CC1CCOCC1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001493430899 1108144618 /nfs/dbraw/zinc/14/46/18/1108144618.db2.gz WMPGNYCVTUPDBL-RBUKOAKNSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC001498817104 1108159741 /nfs/dbraw/zinc/15/97/41/1108159741.db2.gz KBFPJJZXFYUYFK-MRXNPFEDSA-N 2 0 341.858 2.415 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493762069 1108636714 /nfs/dbraw/zinc/63/67/14/1108636714.db2.gz PRJHTRGBGAUKAP-ROUUACIJSA-N 2 0 347.503 2.234 10 0 EEAERP CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762592 1108637544 /nfs/dbraw/zinc/63/75/44/1108637544.db2.gz VNICFCKFOCVFNE-IUYMFKLXSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1nocc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001493806173 1108685890 /nfs/dbraw/zinc/68/58/90/1108685890.db2.gz GMFHMAPRDFVKQX-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCCC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493828962 1108711269 /nfs/dbraw/zinc/71/12/69/1108711269.db2.gz BYLCJXQWPIPXEP-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP COCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001493849787 1108733169 /nfs/dbraw/zinc/73/31/69/1108733169.db2.gz KGHBFKGZKAVZDI-MRXNPFEDSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001479322638 1110681355 /nfs/dbraw/zinc/68/13/55/1110681355.db2.gz XWCFGZNITBOLIG-AFIMGQEJSA-N 2 0 345.478 2.431 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001479417090 1110694284 /nfs/dbraw/zinc/69/42/84/1110694284.db2.gz QSHIFIYYBZQEMN-JKQORVJESA-N 2 0 348.491 2.094 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001499228061 1112188747 /nfs/dbraw/zinc/18/87/47/1112188747.db2.gz BPUUPQSDPUSQFI-UKRRQHHQSA-N 2 0 341.446 2.002 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421661 1112278912 /nfs/dbraw/zinc/27/89/12/1112278912.db2.gz OYVLESROSUVDST-GJZGRUSLSA-N 2 0 333.451 2.467 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001499482331 1112314425 /nfs/dbraw/zinc/31/44/25/1112314425.db2.gz UREVHNALYXCTGS-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP COCC[N@H+](Cc1ccccc1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001499539742 1112354471 /nfs/dbraw/zinc/35/44/71/1112354471.db2.gz XNNKRTBTKDLXAL-UHFFFAOYSA-N 2 0 347.503 2.078 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C[NH2+]CCF ZINC001501129820 1113209110 /nfs/dbraw/zinc/20/91/10/1113209110.db2.gz LLABUGNVBAYJPN-WBVHZDCISA-N 2 0 335.467 2.058 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001501568342 1113385627 /nfs/dbraw/zinc/38/56/27/1113385627.db2.gz KBRLGHUTHDLDJW-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]Cc3ccccn3)C2)CC[N@@H+]1C ZINC001501568124 1113385819 /nfs/dbraw/zinc/38/58/19/1113385819.db2.gz HVZUJZXFNVPWJT-YTQUADARSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001501578778 1113389059 /nfs/dbraw/zinc/38/90/59/1113389059.db2.gz OWHSCVIGCGVUHC-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001501959987 1113537681 /nfs/dbraw/zinc/53/76/81/1113537681.db2.gz FEJHXTCUPWVUBJ-QGZVFWFLSA-N 2 0 348.466 2.224 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C ZINC001505414355 1113947969 /nfs/dbraw/zinc/94/79/69/1113947969.db2.gz CISCFUKSADXPLD-RCCFBDPRSA-N 2 0 335.467 2.447 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](Cc3ccon3)C2)CC1 ZINC001505476330 1114014292 /nfs/dbraw/zinc/01/42/92/1114014292.db2.gz WSHCBNWLVFUDTB-QGZVFWFLSA-N 2 0 348.491 2.077 10 0 EEAERP CC(C)COCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505634020 1114098477 /nfs/dbraw/zinc/09/84/77/1114098477.db2.gz UUOKVGMCJUWQAO-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506056315 1114380738 /nfs/dbraw/zinc/38/07/38/1114380738.db2.gz DQNOFBHQJKKFCL-BEFAXECRSA-N 2 0 329.488 2.064 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001506521444 1114670439 /nfs/dbraw/zinc/67/04/39/1114670439.db2.gz FLIJKIKHWCVXOV-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CC[C@@H](C)F)C[C@]2(C)C1 ZINC001506870627 1114941316 /nfs/dbraw/zinc/94/13/16/1114941316.db2.gz SWGWCJBOUWIENH-NXHRZFHOSA-N 2 0 327.488 2.247 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001506895677 1114956608 /nfs/dbraw/zinc/95/66/08/1114956608.db2.gz CDLPPJKTTLSINL-OWQGQXMQSA-N 2 0 333.451 2.249 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938084 1114987521 /nfs/dbraw/zinc/98/75/21/1114987521.db2.gz KWBCGGRCBNIOCI-KBPBESRZSA-N 2 0 336.480 2.008 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC001506970184 1115020287 /nfs/dbraw/zinc/02/02/87/1115020287.db2.gz KYFWYCKQEAQPIV-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001507074476 1115094284 /nfs/dbraw/zinc/09/42/84/1115094284.db2.gz UQDSCLKJJJWEQW-LPHOPBHVSA-N 2 0 329.488 2.273 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2ccc3ncccc3c2)CCN1C(=O)CC[NH+](C)C ZINC001507290651 1115176192 /nfs/dbraw/zinc/17/61/92/1115176192.db2.gz OXEISZQGIDYVFD-MAUKXSAKSA-N 2 0 340.471 2.266 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(C)ns2)C[C@H]1C ZINC001507327085 1115194815 /nfs/dbraw/zinc/19/48/15/1115194815.db2.gz HVMXGNYMGQDONV-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001507342091 1115205214 /nfs/dbraw/zinc/20/52/14/1115205214.db2.gz UNGWOIYORYABMU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001567998751 1124223152 /nfs/dbraw/zinc/22/31/52/1124223152.db2.gz YNDLTWHSOXBQGW-KRWDZBQOSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001568085311 1124290604 /nfs/dbraw/zinc/29/06/04/1124290604.db2.gz WWZDDIKKSZUTHL-KRWDZBQOSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001568367538 1124440956 /nfs/dbraw/zinc/44/09/56/1124440956.db2.gz HNZMDGCBGAFMDN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001568368666 1124441313 /nfs/dbraw/zinc/44/13/13/1124441313.db2.gz GUUMWTJHLGXKJZ-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568379322 1124448514 /nfs/dbraw/zinc/44/85/14/1124448514.db2.gz PNTKVTPHGYVEDD-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCCC[C@H]2CC[NH2+]CCCF)CC1 ZINC001568396525 1124466818 /nfs/dbraw/zinc/46/68/18/1124466818.db2.gz HENLFJMSXHTVFH-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1csc(C)n1 ZINC001568638873 1124651753 /nfs/dbraw/zinc/65/17/53/1124651753.db2.gz HKKNZNLYBOMJOV-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001568639922 1124653044 /nfs/dbraw/zinc/65/30/44/1124653044.db2.gz CFJWEUJZKDIUII-NSHDSACASA-N 2 0 344.912 2.265 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC001568684562 1124696152 /nfs/dbraw/zinc/69/61/52/1124696152.db2.gz GCGORLKYBXHAQB-GDBMZVCRSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001568851655 1124873287 /nfs/dbraw/zinc/87/32/87/1124873287.db2.gz IPLHFMRCFRKZBV-IBMJZYDUSA-N 2 0 329.488 2.406 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001568873235 1124898945 /nfs/dbraw/zinc/89/89/45/1124898945.db2.gz IRFRIDWIMZCNPS-JHZNUDOXSA-N 2 0 348.318 2.317 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCc2ccccc2Cl)C1 ZINC001568963362 1124999402 /nfs/dbraw/zinc/99/94/02/1124999402.db2.gz ADWIDOCWSTXBMV-DWTRPJMMSA-N 2 0 335.879 2.096 10 0 EEAERP C[C@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117567 1125109404 /nfs/dbraw/zinc/10/94/04/1125109404.db2.gz BZUIPJNWDYASCW-ZHALLVOQSA-N 2 0 347.503 2.232 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001569202081 1125161459 /nfs/dbraw/zinc/16/14/59/1125161459.db2.gz UIYBZGXOMMAGCC-WMZOPIPTSA-N 2 0 347.507 2.157 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001569202940 1125161565 /nfs/dbraw/zinc/16/15/65/1125161565.db2.gz KXBVHSQXOSORRB-YIEHMZNDSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001569235635 1125185408 /nfs/dbraw/zinc/18/54/08/1125185408.db2.gz AZEKFPWGADRZQT-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403983 299119395 /nfs/dbraw/zinc/11/93/95/299119395.db2.gz PIYQJZYAAOHQJJ-JENIJYKNSA-N 2 0 346.519 2.295 10 0 EEAERP c1cc(CN2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070534 539817861 /nfs/dbraw/zinc/81/78/61/539817861.db2.gz ZLZOFTYRPXGQDD-PMACEKPBSA-N 2 0 329.488 2.235 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419002784 239397294 /nfs/dbraw/zinc/39/72/94/239397294.db2.gz QCVOSFGBUXXMDH-OLZOCXBDSA-N 2 0 333.407 2.274 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422718330 240191286 /nfs/dbraw/zinc/19/12/86/240191286.db2.gz WYYHUZMWVMBMDB-RLLQIKCJSA-N 2 0 347.503 2.189 10 0 EEAERP c1cc(C[NH+]2CCSCC2)cc(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422958454 240308184 /nfs/dbraw/zinc/30/81/84/240308184.db2.gz XWJXCROBRRCYRU-RBUKOAKNSA-N 2 0 347.528 2.414 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000079689005 217248919 /nfs/dbraw/zinc/24/89/19/217248919.db2.gz UNTCRQUAOIKUQF-DLBZAZTESA-N 2 0 326.529 2.384 10 0 EEAERP O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328630163 258029680 /nfs/dbraw/zinc/02/96/80/258029680.db2.gz JCJCGZMPAFQBCM-HOTGVXAUSA-N 2 0 333.501 2.361 10 0 EEAERP CCOCC[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000248556641 160349749 /nfs/dbraw/zinc/34/97/49/160349749.db2.gz KZAQHYWXPGCATR-QGZVFWFLSA-N 2 0 337.483 2.300 10 0 EEAERP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@H](c1ccccc1)[NH+](C)C ZINC000377252157 154105474 /nfs/dbraw/zinc/10/54/74/154105474.db2.gz BLZJXIHTKQXRFR-MAUKXSAKSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@H](c1ccccc1)[NH+](C)C ZINC000377252156 154105517 /nfs/dbraw/zinc/10/55/17/154105517.db2.gz BLZJXIHTKQXRFR-CRAIPNDOSA-N 2 0 330.476 2.167 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186465287 160071995 /nfs/dbraw/zinc/07/19/95/160071995.db2.gz LWISUNSRTRVBQY-KRWDZBQOSA-N 2 0 345.491 2.178 10 0 EEAERP C[N@H+]1C[C@H]2CN([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@H]2C1 ZINC000193645451 160184868 /nfs/dbraw/zinc/18/48/68/160184868.db2.gz LHQFEHGVIUCEKG-OZVIIMIRSA-N 2 0 337.826 2.078 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000343518494 161143191 /nfs/dbraw/zinc/14/31/91/161143191.db2.gz LPTANBXKNVCDES-HXUWFJFHSA-N 2 0 340.471 2.206 10 0 EEAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000345477668 161304772 /nfs/dbraw/zinc/30/47/72/161304772.db2.gz WZKZOJKVTUIKBS-FCCDEINASA-N 2 0 336.524 2.375 10 0 EEAERP CN(CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352030867 162037787 /nfs/dbraw/zinc/03/77/87/162037787.db2.gz XVFXWEVDFWWFAN-OAQYLSRUSA-N 2 0 342.531 2.367 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCN(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359018680 164038121 /nfs/dbraw/zinc/03/81/21/164038121.db2.gz MAJXULUTLXYSQP-VQIMIIECSA-N 2 0 342.487 2.139 10 0 EEAERP COCC[C@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000368654808 166098586 /nfs/dbraw/zinc/09/85/86/166098586.db2.gz CRMVEVDCOLDPCX-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897619 227345831 /nfs/dbraw/zinc/34/58/31/227345831.db2.gz UERNBVIXGYBOFE-SJORKVTESA-N 2 0 346.475 2.296 10 0 EEAERP C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272693327 269009710 /nfs/dbraw/zinc/00/97/10/269009710.db2.gz XJLKOSVDUHGXPS-WBVHZDCISA-N 2 0 330.476 2.030 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000183094713 279256628 /nfs/dbraw/zinc/25/66/28/279256628.db2.gz WMMFKOUYVGREBH-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414685057 279947735 /nfs/dbraw/zinc/94/77/35/279947735.db2.gz XQPHEJVOJGXOOS-WMZOPIPTSA-N 2 0 329.488 2.403 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247911226 288302991 /nfs/dbraw/zinc/30/29/91/288302991.db2.gz AEWPWGGFLQLFID-YSHGAJCASA-N 2 0 342.487 2.310 10 0 EEAERP Cc1nocc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000294334277 293427597 /nfs/dbraw/zinc/42/75/97/293427597.db2.gz YSQNVGIDLNVDLM-UHFFFAOYSA-N 2 0 328.460 2.281 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NCc1ccc2c[nH+]cn2c1)C(C)(C)C ZINC000297300278 294205840 /nfs/dbraw/zinc/20/58/40/294205840.db2.gz QJUFKPNZUCXDLG-INIZCTEOSA-N 2 0 331.464 2.500 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)[NH+](C)C)cc1 ZINC000416840722 313331691 /nfs/dbraw/zinc/33/16/91/313331691.db2.gz LFPFMWULNCRSBU-JLSDUUJJSA-N 2 0 332.492 2.149 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000417412525 313507582 /nfs/dbraw/zinc/50/75/82/313507582.db2.gz ABQIZTVJFVDOPE-IMJJTQAJSA-N 2 0 334.464 2.022 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417808851 313603845 /nfs/dbraw/zinc/60/38/45/313603845.db2.gz LXYHVDIIGAQCEE-GOSISDBHSA-N 2 0 334.508 2.319 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417808852 313603917 /nfs/dbraw/zinc/60/39/17/313603917.db2.gz LXYHVDIIGAQCEE-SFHVURJKSA-N 2 0 334.508 2.319 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418365489 313794762 /nfs/dbraw/zinc/79/47/62/313794762.db2.gz XUUAVQNJYFENDE-LSDHHAIUSA-N 2 0 340.418 2.106 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418584467 313853157 /nfs/dbraw/zinc/85/31/57/313853157.db2.gz XOARRHCBCURWDG-FUHWJXTLSA-N 2 0 336.524 2.282 10 0 EEAERP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CCC[NH3+] ZINC000437797973 315052720 /nfs/dbraw/zinc/05/27/20/315052720.db2.gz UMJDISNFVSUHSM-SNVBAGLBSA-N 2 0 341.477 2.197 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000542466939 318130298 /nfs/dbraw/zinc/13/02/98/318130298.db2.gz OGJYEZSQBOBUGX-GOSISDBHSA-N 2 0 339.443 2.163 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000563549033 319022444 /nfs/dbraw/zinc/02/24/44/319022444.db2.gz MQJRQTWFGYGPIF-OAGGEKHMSA-N 2 0 329.423 2.259 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000564098417 319067296 /nfs/dbraw/zinc/06/72/96/319067296.db2.gz OMXQIVAYZSFZET-HZPDHXFCSA-N 2 0 335.517 2.418 10 0 EEAERP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000564152140 319069142 /nfs/dbraw/zinc/06/91/42/319069142.db2.gz MCKXYPAIMXWVSV-CVEARBPZSA-N 2 0 345.462 2.238 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)[C@H]1c1ccccc1 ZINC000566352512 319277926 /nfs/dbraw/zinc/27/79/26/319277926.db2.gz PHNINHUGCRTARN-QZTJIDSGSA-N 2 0 330.476 2.202 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000567337117 319370553 /nfs/dbraw/zinc/37/05/53/319370553.db2.gz VTPFKGGMFCDGDD-AEFFLSMTSA-N 2 0 344.503 2.338 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000581879685 324333841 /nfs/dbraw/zinc/33/38/41/324333841.db2.gz VIWDWUQQORHFIL-VJFUWPCTSA-N 2 0 338.467 2.413 10 0 EEAERP CN1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000582117574 324383858 /nfs/dbraw/zinc/38/38/58/324383858.db2.gz WHFGTDAHSFSMHY-AWEZNQCLSA-N 2 0 340.265 2.462 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000582953468 324563032 /nfs/dbraw/zinc/56/30/32/324563032.db2.gz DRDCOHLCKMWAQI-PKOBYXMFSA-N 2 0 336.524 2.282 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000358308626 465049857 /nfs/dbraw/zinc/04/98/57/465049857.db2.gz KCNCVCIDHKRMNK-MRXNPFEDSA-N 2 0 346.475 2.003 10 0 EEAERP Cc1nocc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000339182207 465129138 /nfs/dbraw/zinc/12/91/38/465129138.db2.gz RVIXQYIGLGWWLT-LJQANCHMSA-N 2 0 328.460 2.451 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000339234510 465155341 /nfs/dbraw/zinc/15/53/41/465155341.db2.gz WNJADDVSIZRYJD-GOSISDBHSA-N 2 0 344.434 2.315 10 0 EEAERP Cc1ncc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000339291976 465191442 /nfs/dbraw/zinc/19/14/42/465191442.db2.gz XZLNTHIVOPDUNG-FQEVSTJZSA-N 2 0 339.487 2.253 10 0 EEAERP CCC(CC)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)[NH+]1CCCC1 ZINC000356307892 465304162 /nfs/dbraw/zinc/30/41/62/465304162.db2.gz WEXBFKUVAAXDLP-SFHVURJKSA-N 2 0 347.507 2.115 10 0 EEAERP COC(=O)c1[nH]c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000590594612 468281770 /nfs/dbraw/zinc/28/17/70/468281770.db2.gz TZYLXBKLXYIMBR-UHFFFAOYSA-N 2 0 349.475 2.187 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)[NH+](C)C)cc1 ZINC000113605588 462606537 /nfs/dbraw/zinc/60/65/37/462606537.db2.gz LSNALJRMZLWEQD-UHOSZYNNSA-N 2 0 344.503 2.476 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000128077423 462607551 /nfs/dbraw/zinc/60/75/51/462607551.db2.gz KIVUMLNMPZGUFF-UHFFFAOYSA-N 2 0 344.503 2.499 10 0 EEAERP CC[NH+](CC)CCOC(=O)CCCCC(=O)OCC[NH+](CC)CC ZINC000005649940 462665797 /nfs/dbraw/zinc/66/57/97/462665797.db2.gz RGAMPJYGTCSRAG-UHFFFAOYSA-N 2 0 344.496 2.317 10 0 EEAERP C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000154846214 462814507 /nfs/dbraw/zinc/81/45/07/462814507.db2.gz FLMZBCFWERYYBI-FQEVSTJZSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@H]1CN(Cc2cnc(C)n2-c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000120724385 463031619 /nfs/dbraw/zinc/03/16/19/463031619.db2.gz OLFZRQXBFVWVBK-AEFFLSMTSA-N 2 0 342.487 2.458 10 0 EEAERP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000068596211 463158187 /nfs/dbraw/zinc/15/81/87/463158187.db2.gz MZZLQXVGWNORRK-INIZCTEOSA-N 2 0 332.492 2.422 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000105093984 463437241 /nfs/dbraw/zinc/43/72/41/463437241.db2.gz GGUJHSPGUROYJS-GOSISDBHSA-N 2 0 332.492 2.463 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000057204512 463465140 /nfs/dbraw/zinc/46/51/40/463465140.db2.gz BXBPIOWKHJYRBH-GOSISDBHSA-N 2 0 344.503 2.085 10 0 EEAERP Cc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000105862206 463480299 /nfs/dbraw/zinc/48/02/99/463480299.db2.gz VJQUKCYFTFOVRH-KRWDZBQOSA-N 2 0 347.503 2.267 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000553327853 468361738 /nfs/dbraw/zinc/36/17/38/468361738.db2.gz UHMRCSNFAACLFR-QGZVFWFLSA-N 2 0 347.503 2.365 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000109754936 463647503 /nfs/dbraw/zinc/64/75/03/463647503.db2.gz NYXHXWHYWBNBHE-HNNXBMFYSA-N 2 0 337.430 2.057 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000073949212 463673284 /nfs/dbraw/zinc/67/32/84/463673284.db2.gz KINQSACDAOOIJD-CVEARBPZSA-N 2 0 329.554 2.250 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000170829737 463715962 /nfs/dbraw/zinc/71/59/62/463715962.db2.gz SUSWMPCOESCJHC-QZTJIDSGSA-N 2 0 330.476 2.169 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170863058 463725143 /nfs/dbraw/zinc/72/51/43/463725143.db2.gz HTNSYADWAHPWSN-QZTJIDSGSA-N 2 0 332.492 2.197 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276936726 463812193 /nfs/dbraw/zinc/81/21/93/463812193.db2.gz YVNAXLRAPQZIAR-UHFFFAOYSA-N 2 0 347.503 2.479 10 0 EEAERP C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278855764 463999859 /nfs/dbraw/zinc/99/98/59/463999859.db2.gz QTWCQPVTJRQJRN-MVBLQPKNSA-N 2 0 330.472 2.312 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178975514 464029060 /nfs/dbraw/zinc/02/90/60/464029060.db2.gz WQXCXQSSWPELPG-CQSZACIVSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000179194295 464078697 /nfs/dbraw/zinc/07/86/97/464078697.db2.gz CTKQBRVUXNQROU-IWKCEXAMSA-N 2 0 342.487 2.356 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246446626 464584972 /nfs/dbraw/zinc/58/49/72/464584972.db2.gz CKOCNVOOSZRBHA-RCCFBDPRSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579814571 468416765 /nfs/dbraw/zinc/41/67/65/468416765.db2.gz UNYOZBKVSDDECH-HKUYNNGSSA-N 2 0 336.524 2.426 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000248612786 464771996 /nfs/dbraw/zinc/77/19/96/464771996.db2.gz YANDSRQTWCBBNR-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000351918247 465441244 /nfs/dbraw/zinc/44/12/44/465441244.db2.gz HBCVWJPYWSOJHD-CCNLRDMRSA-N 2 0 336.524 2.373 10 0 EEAERP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000569121767 468444398 /nfs/dbraw/zinc/44/43/98/468444398.db2.gz AYDRTDNYUYCOLT-RUENVJTFSA-N 2 0 346.519 2.432 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000340301118 465970047 /nfs/dbraw/zinc/97/00/47/465970047.db2.gz QEAAYVUZMLIUPA-FHWLQOOXSA-N 2 0 344.503 2.413 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH]cn1 ZINC000366858506 465978003 /nfs/dbraw/zinc/97/80/03/465978003.db2.gz PJSNAUYGQRQESS-INIZCTEOSA-N 2 0 326.444 2.465 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000349316791 466061996 /nfs/dbraw/zinc/06/19/96/466061996.db2.gz OUFCQPUGJFIULU-UHFFFAOYSA-N 2 0 327.476 2.146 10 0 EEAERP CCC[C@H](C)C(=O)NCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000353776166 466139459 /nfs/dbraw/zinc/13/94/59/466139459.db2.gz QECVVEHWRVTEQF-AWEZNQCLSA-N 2 0 329.448 2.218 10 0 EEAERP CN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349740990 466215256 /nfs/dbraw/zinc/21/52/56/466215256.db2.gz BQCWKAXIPGLQCM-IBGZPJMESA-N 2 0 344.503 2.387 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000357843397 466257882 /nfs/dbraw/zinc/25/78/82/466257882.db2.gz BZPSKXOWHLEGMS-SIIHOXLZSA-N 2 0 326.431 2.436 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000368715956 466696054 /nfs/dbraw/zinc/69/60/54/466696054.db2.gz QIOQCAJPPPRWNN-ROUUACIJSA-N 2 0 348.466 2.307 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000423289017 466709937 /nfs/dbraw/zinc/70/99/37/466709937.db2.gz AISBOICTOSWLJV-GJZGRUSLSA-N 3 0 333.476 2.117 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423290497 466710498 /nfs/dbraw/zinc/71/04/98/466710498.db2.gz DHBHVBLJHOEZOD-KGLIPLIRSA-N 2 0 347.484 2.465 10 0 EEAERP COC[C@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 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[NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383343441 467380708 /nfs/dbraw/zinc/38/07/08/467380708.db2.gz LOEPUUHUEKRCCL-CEXWTWQISA-N 2 0 329.488 2.390 10 0 EEAERP CCN1CC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266389 467398721 /nfs/dbraw/zinc/39/87/21/467398721.db2.gz PVEPJUOLWQKHOZ-PMPSAXMXSA-N 2 0 341.496 2.085 10 0 EEAERP C[N@@H+]1CCCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000430208350 467408884 /nfs/dbraw/zinc/40/88/84/467408884.db2.gz UQWWWAPZZUKQEA-FQEVSTJZSA-N 2 0 344.503 2.388 10 0 EEAERP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4cccnc4o3)CC2)CC1 ZINC000449107425 467618386 /nfs/dbraw/zinc/61/83/86/467618386.db2.gz MLKKCJZCKJLKGM-UHFFFAOYSA-N 2 0 328.460 2.476 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CCO[C@H]2C)CC1 ZINC000449293402 467628686 /nfs/dbraw/zinc/62/86/86/467628686.db2.gz VGHJBXYGQQBJGW-FUHIMQAGSA-N 2 0 332.488 2.212 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457898558 467726235 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ZINC000626974467 469773912 /nfs/dbraw/zinc/77/39/12/469773912.db2.gz GRQVYINPHZRVCI-RDJZCZTQSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000623885192 469788606 /nfs/dbraw/zinc/78/86/06/469788606.db2.gz SUWHUCXIGQPSNV-CRAIPNDOSA-N 2 0 333.476 2.025 10 0 EEAERP C[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000608615456 469846042 /nfs/dbraw/zinc/84/60/42/469846042.db2.gz XYQJKRZSYTXSKG-GOEBONIOSA-N 2 0 338.521 2.382 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624177183 469865322 /nfs/dbraw/zinc/86/53/22/469865322.db2.gz ZINWIAHNWSGRGI-DOIPELPJSA-N 2 0 343.515 2.350 10 0 EEAERP CN1CCO[C@@H]([C@@H](NC[C@@H]2CCC[N@@H+]2C)c2ccc(Cl)cc2)C1 ZINC000624270265 469893701 /nfs/dbraw/zinc/89/37/01/469893701.db2.gz CQELSOHKNSKTJI-KSZLIROESA-N 2 0 337.895 2.396 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC1(F)F ZINC000621550032 470066534 /nfs/dbraw/zinc/06/65/34/470066534.db2.gz BRJZGHZLQNVKNG-GJZGRUSLSA-N 2 0 346.466 2.089 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000634639696 470272788 /nfs/dbraw/zinc/27/27/88/470272788.db2.gz NRSNOMQYPYOSCC-UXHICEINSA-N 2 0 332.488 2.284 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634649184 470274870 /nfs/dbraw/zinc/27/48/70/470274870.db2.gz ILAOJWSLVKGVGL-QUCCMNQESA-N 2 0 331.504 2.086 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000632896978 470284073 /nfs/dbraw/zinc/28/40/73/470284073.db2.gz FZCRZSWGIYLPMZ-OAHLLOKOSA-N 2 0 334.464 2.362 10 0 EEAERP C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813446 470355390 /nfs/dbraw/zinc/35/53/90/470355390.db2.gz BEYXLVSAHPLECP-PXNSSMCTSA-N 2 0 348.487 2.133 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)[nH+]1 ZINC000635011392 470400548 /nfs/dbraw/zinc/40/05/48/470400548.db2.gz ZQJBAJIHZQRROP-IXDOHACOSA-N 2 0 330.476 2.498 10 0 EEAERP CC1(OCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[NH2+]C1 ZINC000649310814 470542260 /nfs/dbraw/zinc/54/22/60/470542260.db2.gz DNKNVUFMJOFWSI-UHFFFAOYSA-N 2 0 345.487 2.057 10 0 EEAERP FC1(F)C[C@@]12CC[NH+](CCOCC[N@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649907697 470740373 /nfs/dbraw/zinc/74/03/73/470740373.db2.gz YCHWSGFQHPKGCO-ZIAGYGMSSA-N 2 0 336.373 2.465 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000646927402 470779495 /nfs/dbraw/zinc/77/94/95/470779495.db2.gz JYDDWULSJOHVPE-RTBURBONSA-N 2 0 341.499 2.451 10 0 EEAERP COc1ncncc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000647175952 470848858 /nfs/dbraw/zinc/84/88/58/470848858.db2.gz NKEQVBYEPSQBFO-UHFFFAOYSA-N 2 0 326.444 2.487 10 0 EEAERP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[NH2+]C)c1 ZINC000650757870 470960383 /nfs/dbraw/zinc/96/03/83/470960383.db2.gz COIZMFMZNFZMRE-CQSZACIVSA-N 2 0 347.484 2.165 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2nnc3n2CCCCC3)CC1 ZINC000647930338 471019337 /nfs/dbraw/zinc/01/93/37/471019337.db2.gz ZWUYEFUGWNHGAU-QGZVFWFLSA-N 2 0 348.539 2.071 10 0 EEAERP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654660727 471118917 /nfs/dbraw/zinc/11/89/17/471118917.db2.gz DUKMZGZGSYGEFT-GBESFXJTSA-N 2 0 344.503 2.243 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652158511 471247436 /nfs/dbraw/zinc/24/74/36/471247436.db2.gz DHWFNRXYKBHHHF-UHFFFAOYSA-N 2 0 332.492 2.327 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652164253 471248065 /nfs/dbraw/zinc/24/80/65/471248065.db2.gz ILMIKMCFNSCURE-AEFFLSMTSA-N 2 0 344.503 2.325 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000652279310 471266492 /nfs/dbraw/zinc/26/64/92/471266492.db2.gz SZBONALNUJEEGU-QGZVFWFLSA-N 2 0 348.466 2.444 10 0 EEAERP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCOC1 ZINC000660447431 471347054 /nfs/dbraw/zinc/34/70/54/471347054.db2.gz JZIRLBVBBFBEOW-ZRNYENFQSA-N 2 0 330.472 2.102 10 0 EEAERP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CS1 ZINC000655691290 471444452 /nfs/dbraw/zinc/44/44/52/471444452.db2.gz SIGBHCKLYILYTC-YJBOKZPZSA-N 2 0 347.528 2.448 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113472 471495120 /nfs/dbraw/zinc/49/51/20/471495120.db2.gz CTDMBOXHWBLBGN-DFQSSKMNSA-N 2 0 341.499 2.198 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000663762992 471507140 /nfs/dbraw/zinc/50/71/40/471507140.db2.gz FONNGJPSGFGIMP-QZTJIDSGSA-N 2 0 346.519 2.331 10 0 EEAERP CC(C)(CC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000655939690 471550741 /nfs/dbraw/zinc/55/07/41/471550741.db2.gz JJKXNSKFPUYMFM-SJORKVTESA-N 2 0 334.508 2.033 10 0 EEAERP O=C(NCCC1CC[NH2+]CC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000653272440 471562529 /nfs/dbraw/zinc/56/25/29/471562529.db2.gz NOIOENWGVRZNKC-UHFFFAOYSA-N 2 0 329.488 2.348 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000659284325 471566205 /nfs/dbraw/zinc/56/62/05/471566205.db2.gz HADOREYDKCMSBL-SFHVURJKSA-N 2 0 333.476 2.406 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000659482705 471650584 /nfs/dbraw/zinc/65/05/84/471650584.db2.gz PUNGMXQWTXWQQT-JQHSSLGASA-N 2 0 332.492 2.180 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[C@H]1F ZINC000659490753 471653903 /nfs/dbraw/zinc/65/39/03/471653903.db2.gz FOMHAMRDASRBIA-HZPDHXFCSA-N 2 0 340.487 2.113 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659551827 471674528 /nfs/dbraw/zinc/67/45/28/471674528.db2.gz WJJNGQJCYISYTP-ROUUACIJSA-N 2 0 344.503 2.325 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659560466 471678027 /nfs/dbraw/zinc/67/80/27/471678027.db2.gz YYZAYPHLSREUEK-RTBURBONSA-N 2 0 346.519 2.409 10 0 EEAERP OC1([C@H]2CCCC[N@@H+]2C/C=C/C[NH+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708161 471814747 /nfs/dbraw/zinc/81/47/47/471814747.db2.gz UQAWPUILNDJZNR-FBLDJFESSA-N 2 0 334.504 2.301 10 0 EEAERP C[C@H](CC[NH+]1C[C@@H]2COC[C@@]2(C)C1)CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661702184 471855729 /nfs/dbraw/zinc/85/57/29/471855729.db2.gz FMYLPQNHLSFHJC-WAPOTWQKSA-N 2 0 336.520 2.339 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)c2ccccc2)CC1 ZINC000667755707 471894071 /nfs/dbraw/zinc/89/40/71/471894071.db2.gz AZSDBANFICGEGW-AABGKKOBSA-N 2 0 329.488 2.132 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)NCC[C@@H]1CCc2ccccc21 ZINC000664980120 471917280 /nfs/dbraw/zinc/91/72/80/471917280.db2.gz DWNMVKDMGNDWEJ-SFHVURJKSA-N 2 0 346.519 2.289 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000667825524 471920320 /nfs/dbraw/zinc/92/03/20/471920320.db2.gz FKRBIUUCRVISCK-GFCCVEGCSA-N 2 0 330.354 2.380 10 0 EEAERP C1CC2(C1)[C@H]([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[C@H]2N1CCOCC1 ZINC000665274632 471986368 /nfs/dbraw/zinc/98/63/68/471986368.db2.gz URVKHJKRYJOMMO-ICBNADEASA-N 2 0 333.520 2.140 10 0 EEAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCN2CCCc3ccccc32)CCO1 ZINC000662326031 472072419 /nfs/dbraw/zinc/07/24/19/472072419.db2.gz UHTFZVITUZJONT-LJQANCHMSA-N 2 0 331.504 2.482 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000662483399 472123856 /nfs/dbraw/zinc/12/38/56/472123856.db2.gz CSWOVCMUTHCNNW-QAPCUYQASA-N 2 0 349.475 2.098 10 0 EEAERP C[NH+](C)[C@@]1(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCSC1 ZINC000662489885 472125918 /nfs/dbraw/zinc/12/59/18/472125918.db2.gz YDGXETALBURUPB-QFBILLFUSA-N 2 0 347.528 2.232 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)on1 ZINC000662683139 472203756 /nfs/dbraw/zinc/20/37/56/472203756.db2.gz OUAGUBONNMOGMD-HNNXBMFYSA-N 2 0 342.443 2.435 10 0 EEAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687178 472206967 /nfs/dbraw/zinc/20/69/67/472206967.db2.gz VKCVPHDRNOWJQX-FXANMCRTSA-N 2 0 329.444 2.207 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662920116 472298864 /nfs/dbraw/zinc/29/88/64/472298864.db2.gz RGDDRXXCDFEDSI-HCXYKTFWSA-N 2 0 339.483 2.155 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545821 485732125 /nfs/dbraw/zinc/73/21/25/485732125.db2.gz CQLKCVWBDKKIFK-NSHDSACASA-N 2 0 326.400 2.144 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000675180183 485920901 /nfs/dbraw/zinc/92/09/01/485920901.db2.gz DVYTYQJEJZBBLO-RBUKOAKNSA-N 2 0 346.519 2.333 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000678363360 486623857 /nfs/dbraw/zinc/62/38/57/486623857.db2.gz XRNPXPPDBQXWBL-IEBWSBKVSA-N 2 0 334.460 2.055 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000073476854 490587642 /nfs/dbraw/zinc/58/76/42/490587642.db2.gz DZFCXNYAUFPORR-GOSISDBHSA-N 2 0 342.487 2.207 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415951594 527812486 /nfs/dbraw/zinc/81/24/86/527812486.db2.gz GDCPCKHMRMWOIW-ZDUSSCGKSA-N 2 0 334.439 2.277 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000191503796 529042425 /nfs/dbraw/zinc/04/24/25/529042425.db2.gz VCLYSNZENWAFCF-LJQANCHMSA-N 2 0 345.535 2.232 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC2(CO)CC2)CC1 ZINC000438329347 534935750 /nfs/dbraw/zinc/93/57/50/534935750.db2.gz FWROEYBXXKFBMY-UHFFFAOYSA-N 2 0 331.504 2.423 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000422742648 535991322 /nfs/dbraw/zinc/99/13/22/535991322.db2.gz GSBOYGNENDGQHB-BHIYHBOVSA-N 3 0 335.467 2.134 10 0 EEAERP C[N@H+](CC1CC[NH2+]CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262034338 677980606 /nfs/dbraw/zinc/98/06/06/677980606.db2.gz XNSZWYLFMAWGKS-OAQYLSRUSA-N 3 0 345.531 2.363 10 0 EEAERP Cn1nc2c(c1C[N@@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)CSCC2 ZINC000894779547 683087812 /nfs/dbraw/zinc/08/78/12/683087812.db2.gz HTKCZTAWVRNVKR-OAHLLOKOSA-N 2 0 334.533 2.373 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)ncc1C ZINC000896044213 684816848 /nfs/dbraw/zinc/81/68/48/684816848.db2.gz XBURAZNUBVNQPS-OAHLLOKOSA-N 2 0 336.455 2.017 10 0 EEAERP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000896109629 684844575 /nfs/dbraw/zinc/84/45/75/684844575.db2.gz KDGVIYGWPZFRLQ-FUHWJXTLSA-N 2 0 333.476 2.287 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C12CCC2 ZINC000925684663 684881833 /nfs/dbraw/zinc/88/18/33/684881833.db2.gz IRHYYXYTLXMNPI-MJBXVCDLSA-N 2 0 325.250 2.342 10 0 EEAERP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000896989126 686037582 /nfs/dbraw/zinc/03/75/82/686037582.db2.gz ONFRMCBSADHCNR-IEBWSBKVSA-N 2 0 345.487 2.429 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCN2CCC([NH+](C)C)CC2)n(C)n1 ZINC000925217072 687582895 /nfs/dbraw/zinc/58/28/95/687582895.db2.gz WLDYPCYMCKTLIK-YLJYHZDGSA-N 2 0 347.551 2.055 10 0 EEAERP C[NH+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000899180688 693643530 /nfs/dbraw/zinc/64/35/30/693643530.db2.gz ZPIJXJMSQDLGLJ-HCXYKTFWSA-N 2 0 327.472 2.232 10 0 EEAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001485645005 1191877658 /nfs/dbraw/zinc/87/76/58/1191877658.db2.gz SYOLEJOCKQVWLD-IRXDYDNUSA-N 2 0 341.540 2.216 10 0 EEAERP CCCCOCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001485763673 1191937497 /nfs/dbraw/zinc/93/74/97/1191937497.db2.gz RIOMDUINAVYVQE-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001485804641 1191962576 /nfs/dbraw/zinc/96/25/76/1191962576.db2.gz MROLDRMVBFJAJW-ROUUACIJSA-N 2 0 333.451 2.247 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001266883145 1177699366 /nfs/dbraw/zinc/69/93/66/1177699366.db2.gz VOIKWEVLQFXSQK-CVEARBPZSA-N 2 0 348.491 2.110 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccccc1Cl ZINC001266926970 1177821044 /nfs/dbraw/zinc/82/10/44/1177821044.db2.gz FSZCBZUCIGGMIF-RHSMWYFYSA-N 2 0 337.895 2.461 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691322099 1177906884 /nfs/dbraw/zinc/90/68/84/1177906884.db2.gz WJIZGMFDHLZTSC-AWEZNQCLSA-N 2 0 341.908 2.291 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001267058716 1178167100 /nfs/dbraw/zinc/16/71/00/1178167100.db2.gz VMXZPCMPLRSZFT-AZUAARDMSA-N 2 0 343.515 2.317 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CC[C@H]2CCOC2)C1 ZINC001267113035 1178271302 /nfs/dbraw/zinc/27/13/02/1178271302.db2.gz BZDPAAQTKYNRRB-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001267142640 1178318266 /nfs/dbraw/zinc/31/82/66/1178318266.db2.gz FSNZSGJSLDFTTM-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001480936247 1178914285 /nfs/dbraw/zinc/91/42/85/1178914285.db2.gz YHJAYXXSAYGXJQ-ZWKOTPCHSA-N 2 0 347.503 2.364 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267412263 1178974247 /nfs/dbraw/zinc/97/42/47/1178974247.db2.gz KZFCHIYKFXQVNB-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CN(CC[NH2+]Cc1ccns1)C(=O)c1ccccc1CC[NH+](C)C ZINC001267408757 1178980816 /nfs/dbraw/zinc/98/08/16/1178980816.db2.gz MCBIRKSHOZIERO-UHFFFAOYSA-N 2 0 346.500 2.109 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456436 1179039128 /nfs/dbraw/zinc/03/91/28/1179039128.db2.gz XIUXDRVDAGLFSE-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)sn1 ZINC001267455988 1179039429 /nfs/dbraw/zinc/03/94/29/1179039429.db2.gz JEMOVEIAHAUWCE-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCc2ccc(Cl)cc21 ZINC001480946860 1179087263 /nfs/dbraw/zinc/08/72/63/1179087263.db2.gz BXKYXOKHLMZVMC-QGZVFWFLSA-N 2 0 335.879 2.471 10 0 EEAERP Cc1cccc(CCC[N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001481110178 1179761309 /nfs/dbraw/zinc/76/13/09/1179761309.db2.gz ZQNXWSFUHRIBKZ-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP CC[C@H](C)C[N@H+](CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C1CC1 ZINC001481169426 1179976278 /nfs/dbraw/zinc/97/62/78/1179976278.db2.gz ODXFOKOAJOVEFC-KSSFIOAISA-N 2 0 347.507 2.417 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOc1cccc(C)c1 ZINC001267804249 1180555060 /nfs/dbraw/zinc/55/50/60/1180555060.db2.gz GWBRMJNWUUZCRY-ZIFCJYIRSA-N 2 0 347.503 2.198 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1C ZINC001267814623 1180570012 /nfs/dbraw/zinc/57/00/12/1180570012.db2.gz HULYSDPDVYACRT-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001267829690 1180597403 /nfs/dbraw/zinc/59/74/03/1180597403.db2.gz ZHWNOEAJNMFKLC-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001267842980 1180622748 /nfs/dbraw/zinc/62/27/48/1180622748.db2.gz DJYNMKCPCSDLOT-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@H](CC[NH2+]CCCF)C2)CC1 ZINC001267898290 1180717579 /nfs/dbraw/zinc/71/75/79/1180717579.db2.gz PKPKOQLBXOLBBI-QGZVFWFLSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCCCF)CC2)C1 ZINC001267928546 1180777328 /nfs/dbraw/zinc/77/73/28/1180777328.db2.gz BKXITCVNUTYVFH-BRWVUGGUSA-N 2 0 327.488 2.485 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001267938792 1180794654 /nfs/dbraw/zinc/79/46/54/1180794654.db2.gz KLOXUXKNUNCWDL-SFHVURJKSA-N 2 0 335.467 2.484 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC001481373687 1181152830 /nfs/dbraw/zinc/15/28/30/1181152830.db2.gz BIHORBGJPFDGLR-RBUKOAKNSA-N 2 0 347.503 2.343 10 0 EEAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001481498407 1181570119 /nfs/dbraw/zinc/57/01/19/1181570119.db2.gz PSEYAUWWCNNPIE-SJORKVTESA-N 2 0 332.492 2.334 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001268140051 1181801390 /nfs/dbraw/zinc/80/13/90/1181801390.db2.gz HMPKEWNKEOSMKP-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCOC)C1 ZINC001268236187 1182054937 /nfs/dbraw/zinc/05/49/37/1182054937.db2.gz CPPYUZJPQPPNBS-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(C[NH+]2CC(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001481654995 1182136722 /nfs/dbraw/zinc/13/67/22/1182136722.db2.gz OFLCOWUDLBDQOC-OAHLLOKOSA-N 2 0 335.517 2.255 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001268367082 1182348797 /nfs/dbraw/zinc/34/87/97/1182348797.db2.gz RWXNKBCNHJQJSS-PXNSSMCTSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001268374815 1182385308 /nfs/dbraw/zinc/38/53/08/1182385308.db2.gz XIVDGYPQEANVCN-LLVKDONJSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379480 1182403736 /nfs/dbraw/zinc/40/37/36/1182403736.db2.gz RRRUDHLIENUEFF-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001481848819 1182783873 /nfs/dbraw/zinc/78/38/73/1182783873.db2.gz GGEAGGYNXMZYAN-ZDUSSCGKSA-N 2 0 329.847 2.415 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)o1 ZINC001481856194 1182817770 /nfs/dbraw/zinc/81/77/70/1182817770.db2.gz PXQZWKZWILGQPS-ZBFHGGJFSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001481863879 1182822392 /nfs/dbraw/zinc/82/23/92/1182822392.db2.gz JZCHJUOWVCYTRU-MRXNPFEDSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001481878046 1182875862 /nfs/dbraw/zinc/87/58/62/1182875862.db2.gz HVACZUAGZGOTHI-RDTXWAMCSA-N 2 0 333.451 2.393 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCCCF)C1 ZINC001481972259 1183056899 /nfs/dbraw/zinc/05/68/99/1183056899.db2.gz KRHFBUANHIXKAR-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1C)[NH+](C)C ZINC001482058401 1183264112 /nfs/dbraw/zinc/26/41/12/1183264112.db2.gz BVQDPKXDEOEUDT-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]C/C=C\c2ccccc2)C1 ZINC001268590835 1183394073 /nfs/dbraw/zinc/39/40/73/1183394073.db2.gz JWKLPNCHIAUPII-WTFNRLNUSA-N 2 0 327.472 2.304 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCc1ccsc1)C12CC[NH+](CC1)C2 ZINC001268614005 1183526823 /nfs/dbraw/zinc/52/68/23/1183526823.db2.gz RWEMGTKITVXKQB-UPHRSURJSA-N 2 0 333.501 2.039 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001268614826 1183531409 /nfs/dbraw/zinc/53/14/09/1183531409.db2.gz ZKSXAVVSOOBJLR-BAABZTOOSA-N 2 0 337.414 2.069 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001268625779 1183548260 /nfs/dbraw/zinc/54/82/60/1183548260.db2.gz KYTWJOOJJDPAMA-YWVDXFKGSA-N 2 0 339.842 2.193 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001268628060 1183551047 /nfs/dbraw/zinc/55/10/47/1183551047.db2.gz YPVFLRPOZUDJQM-QAVQXKDTSA-N 2 0 327.881 2.115 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCF)CC1 ZINC001268774701 1183692680 /nfs/dbraw/zinc/69/26/80/1183692680.db2.gz JVQUIFUJQULHIV-IAGOWNOFSA-N 2 0 327.488 2.341 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnccc1C ZINC001268962526 1183859805 /nfs/dbraw/zinc/85/98/05/1183859805.db2.gz SQWXQVVSJGDSLG-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CC/C=C\CCN1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001482207247 1183996920 /nfs/dbraw/zinc/99/69/20/1183996920.db2.gz ORFKEUNWOGPCJT-JXCVUKRWSA-N 2 0 337.508 2.036 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001269251197 1184102680 /nfs/dbraw/zinc/10/26/80/1184102680.db2.gz MELZLNLUJMFQJJ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001269287134 1184140942 /nfs/dbraw/zinc/14/09/42/1184140942.db2.gz GCGVQQZCTVUKQR-SFHVURJKSA-N 2 0 349.519 2.130 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCc3ccccc3Cl)CC2)C1 ZINC001269535487 1184361026 /nfs/dbraw/zinc/36/10/26/1184361026.db2.gz NXVFZYAKGFJYAZ-MRXNPFEDSA-N 2 0 349.906 2.463 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001269989123 1184767789 /nfs/dbraw/zinc/76/77/89/1184767789.db2.gz MPWDLWVOYHPDSE-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)n1 ZINC001270050672 1184811483 /nfs/dbraw/zinc/81/14/83/1184811483.db2.gz OJXRRBUNVJHDHY-INIZCTEOSA-N 2 0 349.523 2.075 10 0 EEAERP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)cn1 ZINC001270275707 1184977639 /nfs/dbraw/zinc/97/76/39/1184977639.db2.gz LJNHEEOMIDWWJY-QGZVFWFLSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCc1ccccc1 ZINC001270535346 1185155271 /nfs/dbraw/zinc/15/52/71/1185155271.db2.gz WWKACDKXQAAXMX-KRWDZBQOSA-N 2 0 331.504 2.303 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C[C@H]1CCCCO1 ZINC001691510444 1185558869 /nfs/dbraw/zinc/55/88/69/1185558869.db2.gz KZQFIMXFZQUQPR-FGTMMUONSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001271181831 1186063694 /nfs/dbraw/zinc/06/36/94/1186063694.db2.gz NSAVMXHNILYKFI-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)C)cs1 ZINC001482555058 1186718193 /nfs/dbraw/zinc/71/81/93/1186718193.db2.gz ZGULLHOGOJZOQJ-CZUORRHYSA-N 2 0 338.521 2.024 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001482685375 1187651542 /nfs/dbraw/zinc/65/15/42/1187651542.db2.gz FRMFZXOYHFRXEB-QZTJIDSGSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001482859817 1187781465 /nfs/dbraw/zinc/78/14/65/1187781465.db2.gz BLEWJAWBVRGIFC-PKOBYXMFSA-N 2 0 347.503 2.261 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482970188 1187910816 /nfs/dbraw/zinc/91/08/16/1187910816.db2.gz PAEOXOVVDOSJTB-CALCHBBNSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCCCCF)CC[C@@H]3C2)C1 ZINC001691578642 1188276301 /nfs/dbraw/zinc/27/63/01/1188276301.db2.gz HHPDJECSJSFFNX-KSZLIROESA-N 2 0 339.499 2.248 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409465323 1189756891 /nfs/dbraw/zinc/75/68/91/1189756891.db2.gz JZGRWGIHEHCZGC-STQMWFEESA-N 2 0 327.419 2.288 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001485922725 1193641294 /nfs/dbraw/zinc/64/12/94/1193641294.db2.gz PYLPOSPHHQGWOB-DLBZAZTESA-N 2 0 347.503 2.111 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485955644 1193648320 /nfs/dbraw/zinc/64/83/20/1193648320.db2.gz OGRMHSRJKGOJLM-WMZOPIPTSA-N 2 0 347.503 2.362 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1 ZINC001485945013 1193654189 /nfs/dbraw/zinc/65/41/89/1193654189.db2.gz SKVPTBFFIKYFDN-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001485960154 1193659379 /nfs/dbraw/zinc/65/93/79/1193659379.db2.gz ACKSIOZCEUTCHA-KDOFPFPSSA-N 2 0 348.491 2.363 10 0 EEAERP CCc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001409681010 1190180548 /nfs/dbraw/zinc/18/05/48/1190180548.db2.gz LLGRUUCIKHEQER-QGZVFWFLSA-N 2 0 331.504 2.324 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483267070 1190292146 /nfs/dbraw/zinc/29/21/46/1190292146.db2.gz ZQAQDNSLGPHODF-SJORKVTESA-N 2 0 331.504 2.228 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001483385418 1190434673 /nfs/dbraw/zinc/43/46/73/1190434673.db2.gz WIRDUYOMPZUWPK-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001483484295 1190503431 /nfs/dbraw/zinc/50/34/31/1190503431.db2.gz LWDFHBTYEZNFSC-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP COCc1ccc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001483489515 1190508961 /nfs/dbraw/zinc/50/89/61/1190508961.db2.gz BUNBDJPUMILIPU-UHFFFAOYSA-N 2 0 347.503 2.113 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001483560225 1190548336 /nfs/dbraw/zinc/54/83/36/1190548336.db2.gz CEYVWDUXLIXWQM-JKSUJKDBSA-N 2 0 336.505 2.000 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2cc(C)ncn2)CCCCC1)[NH+](C)C ZINC001409782083 1190607438 /nfs/dbraw/zinc/60/74/38/1190607438.db2.gz RKJYCNYQHZFLIU-QGZVFWFLSA-N 2 0 347.507 2.034 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001272651907 1190961351 /nfs/dbraw/zinc/96/13/51/1190961351.db2.gz HIMHWCOHCREAID-OAHLLOKOSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1(N[C@@H](C)c2cnccn2)CC1 ZINC001483773400 1191011341 /nfs/dbraw/zinc/01/13/41/1191011341.db2.gz JKSSLEAUXPVHKY-DOTOQJQBSA-N 2 0 345.491 2.039 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@H]2C[NH2+]CCCF)C1 ZINC001483944755 1191126619 /nfs/dbraw/zinc/12/66/19/1191126619.db2.gz FILJAJPLIGOXAB-WMLDXEAASA-N 2 0 331.451 2.139 10 0 EEAERP CCCCOCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001483970977 1191131572 /nfs/dbraw/zinc/13/15/72/1191131572.db2.gz NJRPVEOZHFTIQB-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001484111202 1191217182 /nfs/dbraw/zinc/21/71/82/1191217182.db2.gz XMDXRFBGLLRJRA-LJQANCHMSA-N 2 0 344.459 2.108 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2CCCCC2)CCOCC1 ZINC001484188412 1191265085 /nfs/dbraw/zinc/26/50/85/1191265085.db2.gz ZIDGVGRRRDRYMA-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC2)CCC1(F)F)[NH+](C)C ZINC001484197569 1191269094 /nfs/dbraw/zinc/26/90/94/1191269094.db2.gz ANSNSYNKNSWWFJ-HUUCEWRRSA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484198818 1191269835 /nfs/dbraw/zinc/26/98/35/1191269835.db2.gz WPWSOOKPRLSTQU-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccns2)CC1 ZINC001484395787 1191330014 /nfs/dbraw/zinc/33/00/14/1191330014.db2.gz GTFKBIVAUBLCMD-SHTZXODSSA-N 2 0 338.521 2.107 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1)C1CCC1 ZINC001484526798 1191395738 /nfs/dbraw/zinc/39/57/38/1191395738.db2.gz ZODCBZNQCSQTHC-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484561304 1191416666 /nfs/dbraw/zinc/41/66/66/1191416666.db2.gz YANHZNSCFPGDFO-APWZRJJASA-N 2 0 347.503 2.473 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2cn(C(C)C)nc2C)CCC1)[NH+](C)C ZINC001484660249 1191461481 /nfs/dbraw/zinc/46/14/81/1191461481.db2.gz FUCWFKWXDGDDMW-KRWDZBQOSA-N 2 0 349.523 2.241 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001484827462 1191536223 /nfs/dbraw/zinc/53/62/23/1191536223.db2.gz NXKVEDIQQIDGGK-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484830200 1191537967 /nfs/dbraw/zinc/53/79/67/1191537967.db2.gz LEIXKFOMYXCBDD-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001484832253 1191545994 /nfs/dbraw/zinc/54/59/94/1191545994.db2.gz WENWBVIYIRPQMD-SFHVURJKSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485161271 1191674728 /nfs/dbraw/zinc/67/47/28/1191674728.db2.gz BIZUOXRVQSWTAJ-GJZGRUSLSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001485181890 1191679596 /nfs/dbraw/zinc/67/95/96/1191679596.db2.gz UESDBUWCASCGNU-CHWSQXEVSA-N 2 0 338.521 2.309 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001485208133 1191694035 /nfs/dbraw/zinc/69/40/35/1191694035.db2.gz OPRNLJLQQIRQAD-QWHCGFSZSA-N 2 0 341.883 2.370 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001485343312 1191747113 /nfs/dbraw/zinc/74/71/13/1191747113.db2.gz BHMRPVDFGUTVQT-YJBOKZPZSA-N 2 0 329.488 2.452 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C)[NH+](C)C ZINC001486402721 1193927452 /nfs/dbraw/zinc/92/74/52/1193927452.db2.gz IAZFOYFYFMUNAJ-KGLIPLIRSA-N 2 0 333.467 2.492 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001486438756 1193957436 /nfs/dbraw/zinc/95/74/36/1193957436.db2.gz YUAWUUUPXAEXQF-BPQIPLTHSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC(C)C)C1 ZINC001486453215 1193975413 /nfs/dbraw/zinc/97/54/13/1193975413.db2.gz XAAOPDIOMFRXTD-UONOGXRCSA-N 2 0 337.430 2.353 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CCc2ccccc2)CC1)[NH+](C)C ZINC001486515498 1194035695 /nfs/dbraw/zinc/03/56/95/1194035695.db2.gz JVTBUOILLMNKLV-IBGZPJMESA-N 2 0 329.488 2.318 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cncc(C)c2)C1 ZINC001272979934 1194288778 /nfs/dbraw/zinc/28/87/78/1194288778.db2.gz XXOKUOLBHQPTIS-IEBWSBKVSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cs1 ZINC001273053095 1194358014 /nfs/dbraw/zinc/35/80/14/1194358014.db2.gz TUUKYLCIWIKULM-CYBMUJFWSA-N 2 0 338.521 2.168 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001273123541 1194407062 /nfs/dbraw/zinc/40/70/62/1194407062.db2.gz WBLVDMAXYOIBFH-KBPBESRZSA-N 2 0 338.496 2.297 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCCC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000828070218 1195695275 /nfs/dbraw/zinc/69/52/75/1195695275.db2.gz AJXKBFZFCPKTEN-OAHLLOKOSA-N 2 0 338.883 2.281 10 0 EEAERP Cc1ncccc1C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001410013624 1197155309 /nfs/dbraw/zinc/15/53/09/1197155309.db2.gz BVXYGBABVWSPLF-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C[NH+]1CCCC1 ZINC001273183936 1197410074 /nfs/dbraw/zinc/41/00/74/1197410074.db2.gz OHIHOYLKSDTZAF-ZDUSSCGKSA-N 2 0 325.403 2.045 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)CCC1 ZINC001410069635 1197538057 /nfs/dbraw/zinc/53/80/57/1197538057.db2.gz MESSXJQRWISEJS-NNZMDNLPSA-N 2 0 345.462 2.104 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cccc(F)c3)C[C@H]21 ZINC001410127564 1197558695 /nfs/dbraw/zinc/55/86/95/1197558695.db2.gz UNRHODKLDCMTAB-LDLYASANSA-N 2 0 347.478 2.352 10 0 EEAERP Cc1nccn1CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccs2)C1 ZINC001410226267 1197617007 /nfs/dbraw/zinc/61/70/07/1197617007.db2.gz XDTIIRMBJPMOLZ-SHTZXODSSA-N 2 0 347.488 2.113 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001410395225 1197796898 /nfs/dbraw/zinc/79/68/98/1197796898.db2.gz XPXTXNFXVONJHZ-RDTXWAMCSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1F ZINC001410434069 1197881884 /nfs/dbraw/zinc/88/18/84/1197881884.db2.gz KIQNSPYVOMBPLM-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCC1CCCC1 ZINC001410474229 1198014997 /nfs/dbraw/zinc/01/49/97/1198014997.db2.gz JIOMNZHQLPNRIV-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000872031628 1198030353 /nfs/dbraw/zinc/03/03/53/1198030353.db2.gz RLSKIYYMCDIUNQ-QUCCMNQESA-N 2 0 346.519 2.389 10 0 EEAERP CS(=O)(=O)CCCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157713 1198062975 /nfs/dbraw/zinc/06/29/75/1198062975.db2.gz PVUPHRRTSIHVDG-NVXWUHKLSA-N 2 0 330.538 2.431 10 0 EEAERP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255684 1198113580 /nfs/dbraw/zinc/11/35/80/1198113580.db2.gz KWRUATKHZISTNE-KANFNMMFSA-N 2 0 343.471 2.122 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC2(C)C)c1 ZINC001410976093 1198654391 /nfs/dbraw/zinc/65/43/91/1198654391.db2.gz GONOOUSUKFTJPQ-QGZVFWFLSA-N 2 0 344.503 2.058 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001411241524 1198960283 /nfs/dbraw/zinc/96/02/83/1198960283.db2.gz YMVKKPVLFRCIRE-PBHICJAKSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H]1CCO[C@@H](C)C1 ZINC001493001033 1199192628 /nfs/dbraw/zinc/19/26/28/1199192628.db2.gz IWGIZFABOGERPO-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000810323469 1199432846 /nfs/dbraw/zinc/43/28/46/1199432846.db2.gz KKXGOJSJCRZYBH-QGZVFWFLSA-N 2 0 331.395 2.418 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000811459793 1200070169 /nfs/dbraw/zinc/07/01/69/1200070169.db2.gz OHPMYQUDVYGPOY-MAUKXSAKSA-N 2 0 325.472 2.332 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000869765346 1200265336 /nfs/dbraw/zinc/26/53/36/1200265336.db2.gz JNBOMOOMQFBPDF-ULQDDVLXSA-N 2 0 339.524 2.065 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000869777245 1200272730 /nfs/dbraw/zinc/27/27/30/1200272730.db2.gz KYDHPQLONGGJJQ-SFHVURJKSA-N 2 0 347.503 2.103 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C)CCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870017381 1200409610 /nfs/dbraw/zinc/40/96/10/1200409610.db2.gz MCYAMBUBUPJXML-DBXWQHBBSA-N 2 0 343.515 2.088 10 0 EEAERP [NH3+]CCC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870951073 1200973248 /nfs/dbraw/zinc/97/32/48/1200973248.db2.gz VXBYCTUJOCJALF-AWEZNQCLSA-N 2 0 340.265 2.036 10 0 EEAERP Cc1cccc(CN2CCO[C@H](CNC(=O)CCCCCC[NH3+])C2)c1 ZINC000870977980 1200986583 /nfs/dbraw/zinc/98/65/83/1200986583.db2.gz NUKQXNHPHWWMPS-LJQANCHMSA-N 2 0 347.503 2.221 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)C1CC[NH+](C)CC1 ZINC000866575063 1201551310 /nfs/dbraw/zinc/55/13/10/1201551310.db2.gz HEDBILKAAYKLHP-HNNXBMFYSA-N 2 0 330.476 2.032 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000868097907 1201742772 /nfs/dbraw/zinc/74/27/72/1201742772.db2.gz JZVAPPWBSZQOMY-XMTFNYHQSA-N 2 0 336.524 2.090 10 0 EEAERP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCN1C ZINC000122310203 1201884600 /nfs/dbraw/zinc/88/46/00/1201884600.db2.gz VDTASLGUFJAULI-HRCADAONSA-N 2 0 341.496 2.085 10 0 EEAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000883343525 1202050531 /nfs/dbraw/zinc/05/05/31/1202050531.db2.gz QDGNYLWWDVIFFX-MRXNPFEDSA-N 2 0 328.460 2.478 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274252966 1204977755 /nfs/dbraw/zinc/97/77/55/1204977755.db2.gz GQAVDLQGKIIZKV-PLNGDYQASA-N 2 0 330.476 2.026 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC001274280184 1204984243 /nfs/dbraw/zinc/98/42/43/1204984243.db2.gz KSNOCPCESLDIHS-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274286683 1204986420 /nfs/dbraw/zinc/98/64/20/1204986420.db2.gz KHWCQZKELRMXKH-XDXAGZTOSA-N 2 0 333.451 2.380 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC001274317804 1204995622 /nfs/dbraw/zinc/99/56/22/1204995622.db2.gz GBLZDMIPZUKLEN-ARJAWSKDSA-N 2 0 337.414 2.069 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1)[NH+](C)C ZINC001274506422 1205060383 /nfs/dbraw/zinc/06/03/83/1205060383.db2.gz AQGMFHXIYYMTOB-LLYBFZRZSA-N 2 0 331.451 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\CN[C@H](C)c1nc2ccccc2o1 ZINC001274610706 1205097220 /nfs/dbraw/zinc/09/72/20/1205097220.db2.gz PVKNURBFWIKQRD-ZPIQOJFGSA-N 2 0 344.459 2.491 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275530060 1205398264 /nfs/dbraw/zinc/39/82/64/1205398264.db2.gz TVPKACHZFMAQCH-HOTGVXAUSA-N 2 0 327.513 2.015 10 0 EEAERP COCCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001275638805 1205457614 /nfs/dbraw/zinc/45/76/14/1205457614.db2.gz IZRGKCDKVBMHMP-AOCRQIFASA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)o1 ZINC001276070632 1205760018 /nfs/dbraw/zinc/76/00/18/1205760018.db2.gz JSZNXKVNNSHZMA-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP CN(CCC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276075987 1205762625 /nfs/dbraw/zinc/76/26/25/1205762625.db2.gz HKJFTXZZUFFIDX-KRWDZBQOSA-N 2 0 349.523 2.061 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001490822616 1205868995 /nfs/dbraw/zinc/86/89/95/1205868995.db2.gz IMFPAUBNSIYRMN-PKOBYXMFSA-N 2 0 345.487 2.129 10 0 EEAERP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CN4C[C@@H]3CCC4)CC2)cc1 ZINC000924800326 1206033413 /nfs/dbraw/zinc/03/34/13/1206033413.db2.gz ZTAKMSKEOVOWQP-FPOVZHCZSA-N 2 0 342.531 2.273 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)CC1 ZINC000925041389 1206064589 /nfs/dbraw/zinc/06/45/89/1206064589.db2.gz NZDHDJDETDURTK-GUYCJALGSA-N 2 0 334.895 2.480 10 0 EEAERP COc1cccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925509248 1206121342 /nfs/dbraw/zinc/12/13/42/1206121342.db2.gz VXMRLNMZNIENDY-OALUTQOASA-N 2 0 345.487 2.183 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000925525538 1206123249 /nfs/dbraw/zinc/12/32/49/1206123249.db2.gz HUTDESLOUSRSFE-UKRRQHHQSA-N 2 0 325.478 2.054 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925658546 1206141085 /nfs/dbraw/zinc/14/10/85/1206141085.db2.gz PHBLZCKZKLEXCP-KJWYOANISA-N 2 0 338.442 2.482 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925915184 1206167642 /nfs/dbraw/zinc/16/76/42/1206167642.db2.gz INZSEYDGSSJSMI-GOSISDBHSA-N 2 0 347.507 2.202 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000926032803 1206183831 /nfs/dbraw/zinc/18/38/31/1206183831.db2.gz SWHGYJHOMBAFTL-INIZCTEOSA-N 2 0 334.464 2.218 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)n(C)n1 ZINC000926358142 1206215518 /nfs/dbraw/zinc/21/55/18/1206215518.db2.gz VHBSOUBANWJKOJ-PKOBYXMFSA-N 2 0 347.551 2.055 10 0 EEAERP CN(C(=O)CCc1ccc(OCC[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000929123270 1206449640 /nfs/dbraw/zinc/44/96/40/1206449640.db2.gz ZAMKMDWPYBMKPG-UHFFFAOYSA-N 2 0 347.503 2.112 10 0 EEAERP Cc1nnc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000929807118 1206504146 /nfs/dbraw/zinc/50/41/46/1206504146.db2.gz VDGPSEUXKLNOTK-UHFFFAOYSA-N 2 0 349.523 2.049 10 0 EEAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848983 1206508685 /nfs/dbraw/zinc/50/86/85/1206508685.db2.gz VKYANMGHEZWZGT-ZRNYENFQSA-N 2 0 332.488 2.277 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)C1(O)CCCC1 ZINC000930170223 1206539070 /nfs/dbraw/zinc/53/90/70/1206539070.db2.gz WJMAXVBSJFFGJK-LJQANCHMSA-N 2 0 347.503 2.286 10 0 EEAERP Cc1cc(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000930282981 1206546469 /nfs/dbraw/zinc/54/64/69/1206546469.db2.gz BNUNQDFCCIKVTA-INIZCTEOSA-N 2 0 348.495 2.016 10 0 EEAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931367911 1206626050 /nfs/dbraw/zinc/62/60/50/1206626050.db2.gz DXHWWXJCCBAAOV-JKSUJKDBSA-N 2 0 328.460 2.199 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001490842510 1208464700 /nfs/dbraw/zinc/46/47/00/1208464700.db2.gz SULCIYGJHLJVTD-BVUAFDDQSA-N 2 0 331.863 2.142 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]CCn2ccnc2)c2c1OC(F)(F)O2 ZINC000864094276 1210472603 /nfs/dbraw/zinc/47/26/03/1210472603.db2.gz OIBKZAJEKRJTDU-UHFFFAOYSA-N 3 0 338.358 2.056 10 0 EEAERP CC[C@@H]1COC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717952036 1211664897 /nfs/dbraw/zinc/66/48/97/1211664897.db2.gz VJFVGSYPXSUFEY-RTBURBONSA-N 2 0 332.488 2.418 10 0 EEAERP C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001413016626 1216578437 /nfs/dbraw/zinc/57/84/37/1216578437.db2.gz AQDACHPBWGBICS-CTNGQTDRSA-N 2 0 345.531 2.204 10 0 EEAERP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000900278561 1234150206 /nfs/dbraw/zinc/15/02/06/1234150206.db2.gz OITUYFYHFZPRPA-UHFFFAOYSA-N 2 0 326.444 2.459 10 0 EEAERP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000900538938 1234458197 /nfs/dbraw/zinc/45/81/97/1234458197.db2.gz UWYBCMJBBQNPMQ-IEBWSBKVSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000901273944 1235464559 /nfs/dbraw/zinc/46/45/59/1235464559.db2.gz ORZKSWBVZDMSEY-IAGOWNOFSA-N 2 0 327.472 2.204 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902920795 1239095455 /nfs/dbraw/zinc/09/54/55/1239095455.db2.gz KBRAKERQBXSZEY-YRPNKDGESA-N 2 0 343.515 2.444 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000903495280 1240665745 /nfs/dbraw/zinc/66/57/45/1240665745.db2.gz YKLUAAKVOFEABW-YZLZLFLDSA-N 2 0 328.456 2.319 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903732528 1241762537 /nfs/dbraw/zinc/76/25/37/1241762537.db2.gz FMOZLJPEFLUVNQ-HKBOAZHASA-N 2 0 344.499 2.479 10 0 EEAERP COc1ccccc1C1([NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903932625 1242556084 /nfs/dbraw/zinc/55/60/84/1242556084.db2.gz UKCKKCJYQCDLQX-HNNXBMFYSA-N 2 0 328.460 2.133 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903934415 1242564192 /nfs/dbraw/zinc/56/41/92/1242564192.db2.gz GSELKULYVXYASP-GOSISDBHSA-N 2 0 347.551 2.186 10 0 EEAERP COc1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000903959648 1242729926 /nfs/dbraw/zinc/72/99/26/1242729926.db2.gz LIKQYLPKZYYBLT-LJQANCHMSA-N 2 0 332.444 2.432 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001490960667 1258511109 /nfs/dbraw/zinc/51/11/09/1258511109.db2.gz YNRMIQKQRQMYBB-WGSAOQKQSA-N 2 0 344.503 2.393 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001491056161 1258625453 /nfs/dbraw/zinc/62/54/53/1258625453.db2.gz UQNBNQDVZXGAQR-DIFAWACHSA-N 2 0 331.863 2.188 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491121945 1258706533 /nfs/dbraw/zinc/70/65/33/1258706533.db2.gz CUSNIKKUHITXBZ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001491215815 1258793694 /nfs/dbraw/zinc/79/36/94/1258793694.db2.gz TXZYGIGOPAGBSH-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CC(F)(F)C2)C1 ZINC001491220111 1258801062 /nfs/dbraw/zinc/80/10/62/1258801062.db2.gz AORFVWXAABNNMG-ZBFHGGJFSA-N 2 0 343.462 2.344 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001491351782 1258992941 /nfs/dbraw/zinc/99/29/41/1258992941.db2.gz KENSPVSQOYQBBX-OVFDWTFPSA-N 2 0 333.879 2.436 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001489344590 1290529323 /nfs/dbraw/zinc/52/93/23/1290529323.db2.gz RKZUZGABMHOJFH-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001490311282 1291186191 /nfs/dbraw/zinc/18/61/91/1291186191.db2.gz HNWIHIKBLMTOJP-PBHICJAKSA-N 2 0 336.480 2.182 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000861630453 1295481880 /nfs/dbraw/zinc/48/18/80/1295481880.db2.gz SEOIWLVZJRGPHX-YVWKXTFCSA-N 2 0 344.503 2.338 10 0 EEAERP CCO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000926960115 1296969237 /nfs/dbraw/zinc/96/92/37/1296969237.db2.gz DQCFXOAMWMIYSH-DFQSSKMNSA-N 2 0 333.520 2.453 10 0 EEAERP CN1C[C@]2(C)C[N@H+](CCC(=O)N3CCc4ccccc4C3)C[C@]2(C)C1 ZINC000931315061 1297131675 /nfs/dbraw/zinc/13/16/75/1297131675.db2.gz SYWZTMVDCRIHGP-OYRHEFFESA-N 2 0 341.499 2.235 10 0 EEAERP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCOC(C)C ZINC001276774582 1297587293 /nfs/dbraw/zinc/58/72/93/1297587293.db2.gz XVMFDILYSBXDLP-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1[NH2+]CCOC ZINC001276774275 1297587844 /nfs/dbraw/zinc/58/78/44/1297587844.db2.gz XOADYRHVVVSVLC-IEBWSBKVSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001277014437 1300831143 /nfs/dbraw/zinc/83/11/43/1300831143.db2.gz OGNWTSKVCVZQGC-KKUMJFAQSA-N 2 0 345.422 2.113 10 0 EEAERP C[C@H](CCC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001277210767 1301836820 /nfs/dbraw/zinc/83/68/20/1301836820.db2.gz QFHGHFANXFSUDL-HZPDHXFCSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCOCC(C)C ZINC001278327852 1309466791 /nfs/dbraw/zinc/46/67/91/1309466791.db2.gz QHIHNLVPOFQKGW-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)CN1C(=O)CCCC[NH+](C)C ZINC001278417326 1310172900 /nfs/dbraw/zinc/17/29/00/1310172900.db2.gz UWZCTKSRHQUHNX-GOEBONIOSA-N 2 0 348.491 2.363 10 0 EEAERP CC[NH2+]CC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000843496040 1315924269 /nfs/dbraw/zinc/92/42/69/1315924269.db2.gz SYVYJHFZDPEDFV-DOTOQJQBSA-N 2 0 325.403 2.214 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001278704572 1317803459 /nfs/dbraw/zinc/80/34/59/1317803459.db2.gz SHGVPFXPIVMZTH-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCc2cccs2)C1 ZINC001264008344 1322583277 /nfs/dbraw/zinc/58/32/77/1322583277.db2.gz LZJSVOKJESGRDM-ZACQAIPSSA-N 2 0 349.544 2.459 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001264053131 1322599791 /nfs/dbraw/zinc/59/97/91/1322599791.db2.gz KIIORCPMUBWNJA-ZJPYXAASSA-N 2 0 339.524 2.112 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264195288 1322663520 /nfs/dbraw/zinc/66/35/20/1322663520.db2.gz PZVIERRXMQVNSV-DLBZAZTESA-N 2 0 341.540 2.216 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)on1 ZINC001264518488 1322722648 /nfs/dbraw/zinc/72/26/48/1322722648.db2.gz SPJUKYJPBVJPRS-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCc1ccccc1Cl ZINC001264970903 1322821295 /nfs/dbraw/zinc/82/12/95/1322821295.db2.gz BTFGMXJFICWMKI-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP Cc1ccc(F)c(C[N@@H+](C)CCCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001265027168 1322870224 /nfs/dbraw/zinc/87/02/24/1322870224.db2.gz IEGPRTVHXBXODT-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCCCOC)C2)C1 ZINC001265223033 1322993981 /nfs/dbraw/zinc/99/39/81/1322993981.db2.gz PERVCTSCUZDAAO-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001265224725 1322995386 /nfs/dbraw/zinc/99/53/86/1322995386.db2.gz IYEDBGXICMNHQB-IBGZPJMESA-N 2 0 347.503 2.021 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001265636212 1323285369 /nfs/dbraw/zinc/28/53/69/1323285369.db2.gz FRVSTXSYJQBBML-PDTSHOSPSA-N 2 0 327.900 2.442 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cccc(F)c1F ZINC001265906609 1323475416 /nfs/dbraw/zinc/47/54/16/1323475416.db2.gz JYZBITPMZQQEPN-INIZCTEOSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265933215 1323496829 /nfs/dbraw/zinc/49/68/29/1323496829.db2.gz HHMMEHZUFSOOBU-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)[C@@]23CC[NH+](C2)CCC3)c1 ZINC001265962074 1323523954 /nfs/dbraw/zinc/52/39/54/1323523954.db2.gz QBRQWYNEWBLFFT-FQEVSTJZSA-N 2 0 345.487 2.119 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]2C1 ZINC001279395682 1323895409 /nfs/dbraw/zinc/89/54/09/1323895409.db2.gz MGOVFGXWFMWMAK-BGYRXZFFSA-N 2 0 343.515 2.351 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1F ZINC001280186703 1324107989 /nfs/dbraw/zinc/10/79/89/1324107989.db2.gz SKGSGAOCMUOJCF-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001280394202 1324197299 /nfs/dbraw/zinc/19/72/99/1324197299.db2.gz DVBZQDAWKMTKFG-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1cnc(CN2CCC[C@H](NC(=O)CCCC[NH+](C)C)CC2)o1 ZINC001280770297 1324497438 /nfs/dbraw/zinc/49/74/38/1324497438.db2.gz OYGKDRRGICKDLL-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCc2cccs2)C2CC2)C1 ZINC001276655430 1324981892 /nfs/dbraw/zinc/98/18/92/1324981892.db2.gz CERATHMITSWXKB-PBHICJAKSA-N 2 0 335.517 2.117 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001283102618 1325919851 /nfs/dbraw/zinc/91/98/51/1325919851.db2.gz WGPZMEYGGMHCRE-MGPQQGTHSA-N 2 0 348.318 2.151 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)s1 ZINC001283215632 1325958338 /nfs/dbraw/zinc/95/83/38/1325958338.db2.gz XPOUTZXYFBABIW-MLGOLLRUSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001283714790 1326215682 /nfs/dbraw/zinc/21/56/82/1326215682.db2.gz PJGSIZFHRKAILM-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCc2ccccc2)C(C)(C)C)C1 ZINC001284653497 1326647833 /nfs/dbraw/zinc/64/78/33/1326647833.db2.gz SPQDPHLHSBGYEQ-QZTJIDSGSA-N 2 0 331.504 2.301 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1 ZINC001284735983 1326689129 /nfs/dbraw/zinc/68/91/29/1326689129.db2.gz DXYCDZFUXWLCON-QWHCGFSZSA-N 2 0 341.393 2.055 10 0 EEAERP CCC[N@H+]1CC=C(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001284957679 1326795014 /nfs/dbraw/zinc/79/50/14/1326795014.db2.gz MVKYSWRKBQRFDV-GOSISDBHSA-N 2 0 325.472 2.357 10 0 EEAERP C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC001587797753 1348872213 /nfs/dbraw/zinc/87/22/13/1348872213.db2.gz DDGKPHQGUXVSRP-CALCHBBNSA-N 2 0 347.503 2.020 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001491632909 1330191209 /nfs/dbraw/zinc/19/12/09/1330191209.db2.gz UVYWRPCGGLOJDM-SJCJKPOMSA-N 2 0 339.430 2.388 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001491873401 1330283316 /nfs/dbraw/zinc/28/33/16/1330283316.db2.gz FPMXDQGAPJOJOG-CABCVRRESA-N 2 0 339.505 2.087 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001491891841 1330292196 /nfs/dbraw/zinc/29/21/96/1330292196.db2.gz OQHJEOJHSFFOIT-HZPDHXFCSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C2CC[NH+](C)CC2)no1 ZINC001492165416 1331030940 /nfs/dbraw/zinc/03/09/40/1331030940.db2.gz UMQRHRXEYNWELY-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001316771682 1331884382 /nfs/dbraw/zinc/88/43/82/1331884382.db2.gz HZDUURCIFQFCJV-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)c1cc2c[nH]ccc-2n1)CC[C@H]1CCOC1 ZINC001316894399 1331960875 /nfs/dbraw/zinc/96/08/75/1331960875.db2.gz DXLLECKUIOQBPL-HNNXBMFYSA-N 2 0 344.459 2.431 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317063125 1332066052 /nfs/dbraw/zinc/06/60/52/1332066052.db2.gz RVXPEKANLUSTGZ-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001317166233 1332108417 /nfs/dbraw/zinc/10/84/17/1332108417.db2.gz XGVRLFGNJTUXBQ-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317195067 1332125073 /nfs/dbraw/zinc/12/50/73/1332125073.db2.gz WVGHBNVNUCCQBO-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317396382 1332213068 /nfs/dbraw/zinc/21/30/68/1332213068.db2.gz FGMQJEHRCOCMSM-ROUUACIJSA-N 2 0 347.503 2.343 10 0 EEAERP CN(CC[NH2+]Cc1nsc2ccccc12)C(=O)C[N@H+](C)C1CCC1 ZINC001317595330 1332316007 /nfs/dbraw/zinc/31/60/07/1332316007.db2.gz SJVMQZRDHLGLTL-UHFFFAOYSA-N 2 0 346.500 2.329 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317645187 1332345844 /nfs/dbraw/zinc/34/58/44/1332345844.db2.gz ZUEFSEPCPNNCOJ-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP C[C@H](C(=O)NCC1C[NH+](CCCCCF)C1)[NH+]1CCCCCC1 ZINC001318158765 1332480393 /nfs/dbraw/zinc/48/03/93/1332480393.db2.gz IKMHDZIXHHBRSW-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCOCC(C)C)C1 ZINC001318478430 1332547537 /nfs/dbraw/zinc/54/75/37/1332547537.db2.gz KMDDUUVMTRXEDD-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)CCC1 ZINC001318807102 1332602871 /nfs/dbraw/zinc/60/28/71/1332602871.db2.gz YJZRXGRZHGXDKW-KRWDZBQOSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001318819114 1332603806 /nfs/dbraw/zinc/60/38/06/1332603806.db2.gz COGUUGPSAFEZMZ-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)co1 ZINC001318914698 1332622967 /nfs/dbraw/zinc/62/29/67/1332622967.db2.gz HFRDDRPCPIPLFT-HNNXBMFYSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H](C(=O)N1CCC(CC[NH2+]CCF)CC1)[NH+]1CCCCCC1 ZINC001318917071 1332623606 /nfs/dbraw/zinc/62/36/06/1332623606.db2.gz JGXGOTSLQYGHST-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001318995938 1332634260 /nfs/dbraw/zinc/63/42/60/1332634260.db2.gz KERYWVZBILBWEC-MOPGFXCFSA-N 2 0 345.487 2.056 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001319169253 1332659902 /nfs/dbraw/zinc/65/99/02/1332659902.db2.gz ZSCBFJKGZXFMLY-IEBWSBKVSA-N 2 0 347.503 2.118 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@H]1CCc2c1cc(F)cc2F ZINC001492484740 1332699227 /nfs/dbraw/zinc/69/92/27/1332699227.db2.gz YFTRFZMYAAWZAE-KRWDZBQOSA-N 2 0 339.430 2.342 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001319472230 1332707766 /nfs/dbraw/zinc/70/77/66/1332707766.db2.gz HVGFHDHPGYOFEH-QGZVFWFLSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319561602 1332722078 /nfs/dbraw/zinc/72/20/78/1332722078.db2.gz XXVSJPKLPLLOKB-STQMWFEESA-N 2 0 348.318 2.103 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001319735500 1332753614 /nfs/dbraw/zinc/75/36/14/1332753614.db2.gz GDUMWEMWGCJPEB-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(O)ccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320372298 1332870058 /nfs/dbraw/zinc/87/00/58/1332870058.db2.gz OHBWKMWEVMPRTR-WBMJQRKESA-N 2 0 339.867 2.124 10 0 EEAERP C[C@H](CC[NH2+]CC1CCOCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414415 1332877984 /nfs/dbraw/zinc/87/79/84/1332877984.db2.gz HCDBAVSFMHGOKQ-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001320501151 1332898129 /nfs/dbraw/zinc/89/81/29/1332898129.db2.gz QRIBDNHMKIXKGH-HNNXBMFYSA-N 2 0 336.480 2.171 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067699 1333010434 /nfs/dbraw/zinc/01/04/34/1333010434.db2.gz XMAXEGDRWLOJST-YBHDSAFLSA-N 2 0 333.451 2.489 10 0 EEAERP Cc1cncn1CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001321926105 1333180659 /nfs/dbraw/zinc/18/06/59/1333180659.db2.gz FSYHWGNXQARTHR-JSGCOSHPSA-N 2 0 328.407 2.111 10 0 EEAERP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001322337718 1333249459 /nfs/dbraw/zinc/24/94/59/1333249459.db2.gz NIBYCYAFQUXJNR-SJORKVTESA-N 2 0 339.499 2.487 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCc3ccsc3)CC2)C1 ZINC001323592542 1333494554 /nfs/dbraw/zinc/49/45/54/1333494554.db2.gz UQZJDHTWILOVKV-MRXNPFEDSA-N 2 0 335.517 2.261 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001324812200 1333765102 /nfs/dbraw/zinc/76/51/02/1333765102.db2.gz DAZLPDMXLIWPHP-CJNGLKHVSA-N 2 0 348.318 2.475 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccns2)C1 ZINC001324817177 1333766061 /nfs/dbraw/zinc/76/60/61/1333766061.db2.gz CXVSKDWVPJZOGV-QGZVFWFLSA-N 2 0 338.521 2.203 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001324864224 1333776415 /nfs/dbraw/zinc/77/64/15/1333776415.db2.gz HULGAGIFAUAJEG-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919604 1333995175 /nfs/dbraw/zinc/99/51/75/1333995175.db2.gz HTWDTNXJJVWKOC-ROUUACIJSA-N 2 0 348.491 2.280 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001326302048 1334063214 /nfs/dbraw/zinc/06/32/14/1334063214.db2.gz FPRVESCMSORVMP-MAUKXSAKSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001326352086 1334075095 /nfs/dbraw/zinc/07/50/95/1334075095.db2.gz LUYQLWRQPUTQAY-GOEBONIOSA-N 2 0 338.521 2.058 10 0 EEAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001326603651 1334123719 /nfs/dbraw/zinc/12/37/19/1334123719.db2.gz MSUAIMJJYKEWSN-ARJAWSKDSA-N 2 0 331.504 2.363 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001327174169 1334240677 /nfs/dbraw/zinc/24/06/77/1334240677.db2.gz XVAJQRQAUZZVKG-GOSISDBHSA-N 2 0 339.524 2.260 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001330700145 1334889020 /nfs/dbraw/zinc/88/90/20/1334889020.db2.gz JVZOMSAIZMPTSB-RHICSNSISA-N 2 0 327.472 2.136 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001331456171 1335016944 /nfs/dbraw/zinc/01/69/44/1335016944.db2.gz SDIIMHPZWPPFNG-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001332460447 1335828716 /nfs/dbraw/zinc/82/87/16/1335828716.db2.gz RUDJVGZPDRZUBR-UONOGXRCSA-N 2 0 335.414 2.131 10 0 EEAERP C[N@H+](CC(=O)NCC1=CC[NH+](C[C@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC001333354049 1336017370 /nfs/dbraw/zinc/01/73/70/1336017370.db2.gz BMJVSCHAPBHPSD-GOSISDBHSA-N 2 0 349.519 2.034 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479679940 1337340721 /nfs/dbraw/zinc/34/07/21/1337340721.db2.gz CCBSDEQNPIVJLP-HKUYNNGSSA-N 2 0 347.503 2.106 10 0 EEAERP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001350317496 1337694546 /nfs/dbraw/zinc/69/45/46/1337694546.db2.gz WQZCPXLMBDGBPR-CYBMUJFWSA-N 2 0 325.416 2.457 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000848557107 1338721267 /nfs/dbraw/zinc/72/12/67/1338721267.db2.gz FDKYFOCJNUSVTL-KURKYZTESA-N 2 0 331.460 2.327 10 0 EEAERP CCN(CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)CC(F)(F)F ZINC001414017259 1339120085 /nfs/dbraw/zinc/12/00/85/1339120085.db2.gz MVQPRHAKMGKACC-HNNXBMFYSA-N 2 0 339.446 2.303 10 0 EEAERP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C)n2CC[N@H+]2CC=CCC2)C1 ZINC001615429134 1352324460 /nfs/dbraw/zinc/32/44/60/1352324460.db2.gz WESVTVLPLHTWTH-SFHVURJKSA-N 2 0 346.523 2.017 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001668214857 1355901113 /nfs/dbraw/zinc/90/11/13/1355901113.db2.gz QNPJKUVANOSVIQ-STQMWFEESA-N 2 0 338.521 2.086 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001436359624 1342050502 /nfs/dbraw/zinc/05/05/02/1342050502.db2.gz TUNXDPZNRBUPSM-FZNQNYSPSA-N 2 0 348.491 2.096 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001500392926 1342185478 /nfs/dbraw/zinc/18/54/78/1342185478.db2.gz JDMGPGALEXIKGF-SJLPKXTDSA-N 2 0 327.488 2.296 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001502546005 1342208661 /nfs/dbraw/zinc/20/86/61/1342208661.db2.gz MCSNAABFMDFNJA-VWTAQGJOSA-N 2 0 327.900 2.395 10 0 EEAERP COCCCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001566612905 1342579864 /nfs/dbraw/zinc/57/98/64/1342579864.db2.gz MNBLXZYLQZOWNV-UHFFFAOYSA-N 2 0 341.540 2.314 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1F ZINC001567610615 1342793326 /nfs/dbraw/zinc/79/33/26/1342793326.db2.gz GLCNVKGBSUHMJC-ZIAGYGMSSA-N 2 0 339.430 2.386 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+](C)C2CCN(C(=O)CCCC[NH+](C)C)CC2)O1 ZINC001676079348 1357101736 /nfs/dbraw/zinc/10/17/36/1357101736.db2.gz NQVQAEOFPVRPJF-FUHWJXTLSA-N 2 0 339.524 2.209 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001570387035 1343063137 /nfs/dbraw/zinc/06/31/37/1343063137.db2.gz BUQVTLLPYHEMHJ-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001571320386 1343178516 /nfs/dbraw/zinc/17/85/16/1343178516.db2.gz YPQGLHKVAWMSTG-HNNXBMFYSA-N 2 0 338.521 2.250 10 0 EEAERP COCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001676924853 1357242178 /nfs/dbraw/zinc/24/21/78/1357242178.db2.gz BQMBLPRFIVFAJE-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001677335358 1357316110 /nfs/dbraw/zinc/31/61/10/1357316110.db2.gz XDXGSOMAHCMSIE-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)c(N)c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001627116194 1352483629 /nfs/dbraw/zinc/48/36/29/1352483629.db2.gz ASNCZUMNUZHGEK-UHFFFAOYSA-N 2 0 338.471 2.062 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(F)cc1 ZINC001647322661 1353230983 /nfs/dbraw/zinc/23/09/83/1353230983.db2.gz XFTGFODTKDUAPE-ULQDDVLXSA-N 2 0 346.450 2.155 10 0 EEAERP COC[C@@](C)(CO)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001648007087 1353413323 /nfs/dbraw/zinc/41/33/23/1353413323.db2.gz YTLSIIRUYRFXDX-HXUWFJFHSA-N 2 0 334.504 2.318 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001649314783 1353474392 /nfs/dbraw/zinc/47/43/92/1353474392.db2.gz UDPNVTLQAFMTNU-FGTMMUONSA-N 2 0 348.535 2.377 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001656567512 1354248782 /nfs/dbraw/zinc/24/87/82/1354248782.db2.gz TWTHQEJSTQTBPO-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nc(CN(C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001660146275 1354404143 /nfs/dbraw/zinc/40/41/43/1354404143.db2.gz LQYOJLFALPKZFH-UKRRQHHQSA-N 2 0 338.521 2.038 10 0 EEAERP COc1cc(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001660170652 1354409357 /nfs/dbraw/zinc/40/93/57/1354409357.db2.gz QLAMQQBDZOPHKZ-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2cnoc2C)C1 ZINC001660273495 1354428739 /nfs/dbraw/zinc/42/87/39/1354428739.db2.gz ZJBROTMRROYJFI-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1sc(C)nc1C ZINC001660628603 1354504614 /nfs/dbraw/zinc/50/46/14/1354504614.db2.gz ZCQVKUKOPISGHL-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001660855264 1354551464 /nfs/dbraw/zinc/55/14/64/1354551464.db2.gz DDORHNXXOKWYRU-MJGOQNOKSA-N 2 0 349.519 2.036 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001661833080 1354705352 /nfs/dbraw/zinc/70/53/52/1354705352.db2.gz VQIIZIJXJGYPMW-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC001662723078 1354832212 /nfs/dbraw/zinc/83/22/12/1354832212.db2.gz QFZFDSCIQKQWCY-IBGZPJMESA-N 2 0 329.488 2.153 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001662767474 1354841980 /nfs/dbraw/zinc/84/19/80/1354841980.db2.gz PVUVLANEZDZXBZ-JKSUJKDBSA-N 2 0 344.459 2.310 10 0 EEAERP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001664391433 1355152949 /nfs/dbraw/zinc/15/29/49/1355152949.db2.gz MLEFZLLLNPHZRI-GOSISDBHSA-N 2 0 347.503 2.225 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001665016821 1355265130 /nfs/dbraw/zinc/26/51/30/1355265130.db2.gz MAOSGEFTVONVAF-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)OC ZINC001666115261 1355455945 /nfs/dbraw/zinc/45/59/45/1355455945.db2.gz LHMQVWAGEJFLEH-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001666291003 1355503993 /nfs/dbraw/zinc/50/39/93/1355503993.db2.gz LLTZFHINZBWKFH-QAQDUYKDSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992015 1355628609 /nfs/dbraw/zinc/62/86/09/1355628609.db2.gz JXHWNFQAVZQZPZ-CRAIPNDOSA-N 2 0 345.503 2.060 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]Cc2cccnc2)C1 ZINC001667284382 1355698109 /nfs/dbraw/zinc/69/81/09/1355698109.db2.gz KMIVFKUMIQTTNY-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ccccc1OCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001667664389 1355776115 /nfs/dbraw/zinc/77/61/15/1355776115.db2.gz OQTJFRPLGDLWOT-SFHVURJKSA-N 2 0 347.503 2.106 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668273400 1355912734 /nfs/dbraw/zinc/91/27/34/1355912734.db2.gz HFWIOXUOOHHOAF-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001668278626 1355913916 /nfs/dbraw/zinc/91/39/16/1355913916.db2.gz JUQHKYVWUHAERJ-SWLSCSKDSA-N 2 0 327.419 2.289 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668575018 1355965928 /nfs/dbraw/zinc/96/59/28/1355965928.db2.gz PJKRTGIEYSISEX-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccnc(Cl)c1)C12CCC[NH+]1CCC2 ZINC001668912522 1356041674 /nfs/dbraw/zinc/04/16/74/1356041674.db2.gz SHCNARWIGAFWDP-OWOJBTEDSA-N 2 0 348.878 2.125 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001669020633 1356068579 /nfs/dbraw/zinc/06/85/79/1356068579.db2.gz GSMFECWCUHLYJO-PHWHVTFISA-N 2 0 327.472 2.278 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001669074969 1356084814 /nfs/dbraw/zinc/08/48/14/1356084814.db2.gz HPJAYUQBBQIDER-QWNKOJSDSA-N 2 0 344.503 2.417 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001669867381 1356227457 /nfs/dbraw/zinc/22/74/57/1356227457.db2.gz FDUPQPAXIDUURO-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672521320 1356542960 /nfs/dbraw/zinc/54/29/60/1356542960.db2.gz CFSLSZLKDJKONW-KZNAEPCWSA-N 2 0 339.524 2.207 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC001672811362 1356590394 /nfs/dbraw/zinc/59/03/94/1356590394.db2.gz YQLORFJGXMTQRG-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001672901489 1356610782 /nfs/dbraw/zinc/61/07/82/1356610782.db2.gz IHUBVDOISHRJPT-GFAPJHNFSA-N 2 0 336.307 2.475 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCCCF ZINC001674141258 1356796436 /nfs/dbraw/zinc/79/64/36/1356796436.db2.gz KFNFCALFLSUALO-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP COCCCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001674294385 1356814977 /nfs/dbraw/zinc/81/49/77/1356814977.db2.gz LVUWKZNUPFHIAT-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698842068 1405103823 /nfs/dbraw/zinc/10/38/23/1405103823.db2.gz QWUWZKDPENMNKO-YOEHRIQHSA-N 2 0 337.895 2.413 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698912676 1405154384 /nfs/dbraw/zinc/15/43/84/1405154384.db2.gz BTQMAKBFFGTEKD-BRWVUGGUSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001699545128 1405380342 /nfs/dbraw/zinc/38/03/42/1405380342.db2.gz FWWKMDBGHINMHS-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001699843704 1405522867 /nfs/dbraw/zinc/52/28/67/1405522867.db2.gz COTFDGGQIMGSCH-ROUUACIJSA-N 2 0 345.478 2.387 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001699856387 1405530570 /nfs/dbraw/zinc/53/05/70/1405530570.db2.gz MFZUWFDOSAWFIC-TZIWHRDSSA-N 2 0 343.515 2.399 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC001167458211 759633661 /nfs/dbraw/zinc/63/36/61/759633661.db2.gz SHYZUQTXGQWBOQ-PKOBYXMFSA-N 2 0 340.508 2.279 10 0 EEAERP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)O1 ZINC000925828971 778790170 /nfs/dbraw/zinc/79/01/70/778790170.db2.gz KXZFOHYAXWPZKC-RYPNDVFKSA-N 2 0 336.398 2.233 10 0 EEAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@@]2(C)C1 ZINC000913276756 788753266 /nfs/dbraw/zinc/75/32/66/788753266.db2.gz LVPDABGUBUBTPB-KOUHRCEDSA-N 2 0 341.499 2.132 10 0 EEAERP C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711364848 788802443 /nfs/dbraw/zinc/80/24/43/788802443.db2.gz BPOUJGUHAISGJN-SZMVWBNQSA-N 2 0 329.488 2.259 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H](C)C2)cc1C ZINC000923324378 789383133 /nfs/dbraw/zinc/38/31/33/789383133.db2.gz GJWPPYTVWVNVPK-HKUYNNGSSA-N 2 0 329.488 2.192 10 0 EEAERP COCC[NH2+]C1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923387701 789482836 /nfs/dbraw/zinc/48/28/36/789482836.db2.gz KAPVJCIYGXZVSM-NRFANRHFSA-N 2 0 342.483 2.444 10 0 EEAERP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923422779 789524843 /nfs/dbraw/zinc/52/48/43/789524843.db2.gz RYYHVVLUADKYNI-DKKFBQAASA-N 2 0 342.524 2.018 10 0 EEAERP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451781 789583707 /nfs/dbraw/zinc/58/37/07/789583707.db2.gz CWOAKWIEKAPRJE-SJORKVTESA-N 2 0 339.524 2.147 10 0 EEAERP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)ccc12 ZINC000923498028 789673927 /nfs/dbraw/zinc/67/39/27/789673927.db2.gz NGVYLQLOKLABQI-LSDHHAIUSA-N 2 0 330.428 2.397 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923500930 789685315 /nfs/dbraw/zinc/68/53/15/789685315.db2.gz SBOMFEMPERLZED-HRCADAONSA-N 2 0 346.475 2.257 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000846178732 790080053 /nfs/dbraw/zinc/08/00/53/790080053.db2.gz XTKHWJBANLIUNN-GOSISDBHSA-N 2 0 332.492 2.151 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693177 796443118 /nfs/dbraw/zinc/44/31/18/796443118.db2.gz OHPMWTKWFWNNHL-UFYCRDLUSA-N 3 0 331.504 2.207 10 0 EEAERP C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716694235 796443368 /nfs/dbraw/zinc/44/33/68/796443368.db2.gz SAVSFSSNSRODOK-ONSCTEFMSA-N 2 0 330.472 2.169 10 0 EEAERP CN(C)C(=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716717317 796445758 /nfs/dbraw/zinc/44/57/58/796445758.db2.gz JCOBWKJIEOOUEB-OTWHNJEPSA-N 2 0 329.488 2.498 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)CC[NH+](C)C ZINC000922274000 800191544 /nfs/dbraw/zinc/19/15/44/800191544.db2.gz QBNMKDQFZGXEIG-RTBURBONSA-N 2 0 325.541 2.445 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001566089544 1125555717 /nfs/dbraw/zinc/55/57/17/1125555717.db2.gz FYXKPZFOYAGCFK-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001566473500 1125634571 /nfs/dbraw/zinc/63/45/71/1125634571.db2.gz PDPHDOWXLLZGED-CQSZACIVSA-N 2 0 333.411 2.067 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1cnccc1C ZINC001566550736 1125721953 /nfs/dbraw/zinc/72/19/53/1125721953.db2.gz STIBIOFBIVKIRQ-LJQANCHMSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436473475 1087937869 /nfs/dbraw/zinc/93/78/69/1087937869.db2.gz DNDGSJOQMOHRCI-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001436893314 1088543831 /nfs/dbraw/zinc/54/38/31/1088543831.db2.gz FUAQNWXHFIYVQW-LEARLUKTSA-N 2 0 339.483 2.278 10 0 EEAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001436960534 1088649787 /nfs/dbraw/zinc/64/97/87/1088649787.db2.gz WVCZRVZNAGHQKM-KFWWJZLASA-N 2 0 327.432 2.164 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccc2c(c1)CCC2 ZINC001436964664 1088654818 /nfs/dbraw/zinc/65/48/18/1088654818.db2.gz MTIFBCJGXQDJJN-ZOCIIQOWSA-N 2 0 329.488 2.425 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001437217670 1089301060 /nfs/dbraw/zinc/30/10/60/1089301060.db2.gz VWVARWCKUAEQMH-PBHICJAKSA-N 2 0 336.455 2.078 10 0 EEAERP Cc1ccc(C)c(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001437458064 1089769364 /nfs/dbraw/zinc/76/93/64/1089769364.db2.gz OARHDJASBNCHSA-LJQANCHMSA-N 2 0 329.488 2.193 10 0 EEAERP Cc1ccc(CCC[N@@H+](C)CCNC(=O)[C@@]23CC[NH+](C2)CCC3)cc1 ZINC001437545013 1090004237 /nfs/dbraw/zinc/00/42/37/1090004237.db2.gz AKVQUPJQWIIVPG-NRFANRHFSA-N 2 0 343.515 2.462 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCOC1CCC1 ZINC001437624903 1090136032 /nfs/dbraw/zinc/13/60/32/1090136032.db2.gz GOKNFFDECUHYRK-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001437840482 1090424957 /nfs/dbraw/zinc/42/49/57/1090424957.db2.gz NMJVGUYCOZVRCN-UONOGXRCSA-N 2 0 339.430 2.416 10 0 EEAERP COC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001437852449 1090434900 /nfs/dbraw/zinc/43/49/00/1090434900.db2.gz NLTGMSCTSRIILW-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001437858112 1090438487 /nfs/dbraw/zinc/43/84/87/1090438487.db2.gz RROXGCDVQYEQJN-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001438142026 1090663986 /nfs/dbraw/zinc/66/39/86/1090663986.db2.gz FXGTZOGZKLYMCW-RDTXWAMCSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC3CCC4(CC4)CC3)C2)CC1 ZINC001438188532 1090688640 /nfs/dbraw/zinc/68/86/40/1090688640.db2.gz GKKYEAGUDLZOQX-KRWDZBQOSA-N 2 0 333.520 2.489 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(C)cc1 ZINC001438308925 1090786978 /nfs/dbraw/zinc/78/69/78/1090786978.db2.gz YYWQZKAETFEKOP-RTBURBONSA-N 2 0 329.488 2.321 10 0 EEAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)ns1 ZINC001438310216 1090788210 /nfs/dbraw/zinc/78/82/10/1090788210.db2.gz JMHZLTWBIYXVDZ-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438331240 1090805732 /nfs/dbraw/zinc/80/57/32/1090805732.db2.gz KNPIJPKANDHHHH-WMZOPIPTSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)cn1 ZINC001438405999 1090892917 /nfs/dbraw/zinc/89/29/17/1090892917.db2.gz WFMDHSDENBHISE-MRXNPFEDSA-N 2 0 347.507 2.206 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001438495031 1090992570 /nfs/dbraw/zinc/99/25/70/1090992570.db2.gz WDKMQZWCIZMVEA-YWZLYKJASA-N 2 0 343.515 2.487 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1c(F)cccc1F ZINC001438497723 1090994256 /nfs/dbraw/zinc/99/42/56/1090994256.db2.gz LDHVPNBBSGVRDC-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001438511137 1091002954 /nfs/dbraw/zinc/00/29/54/1091002954.db2.gz ZDDXMHHCVJPIQE-CZUORRHYSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001438511140 1091002980 /nfs/dbraw/zinc/00/29/80/1091002980.db2.gz ZDDXMHHCVJPIQE-XJKSGUPXSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC001438513454 1091006101 /nfs/dbraw/zinc/00/61/01/1091006101.db2.gz GSNNABYAVAPTKF-SNPRPXQTSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001438819605 1091436824 /nfs/dbraw/zinc/43/68/24/1091436824.db2.gz ZRSZUJUFGHBLLB-MSOLQXFVSA-N 2 0 349.544 2.363 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445650676 1091439342 /nfs/dbraw/zinc/43/93/42/1091439342.db2.gz WLEAZRHWSYAEOS-JKSUJKDBSA-N 2 0 340.471 2.171 10 0 EEAERP Cc1cnc(C[NH2+][C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)C)s1 ZINC001438832209 1091452977 /nfs/dbraw/zinc/45/29/77/1091452977.db2.gz XUPDWNUZUPXVHV-UKRRQHHQSA-N 2 0 338.521 2.024 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001439164932 1091811100 /nfs/dbraw/zinc/81/11/00/1091811100.db2.gz YXUYTWHELAAOOS-HZPDHXFCSA-N 2 0 347.507 2.061 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001445989249 1091958395 /nfs/dbraw/zinc/95/83/95/1091958395.db2.gz HRASDZHPQDNDTF-QZTJIDSGSA-N 2 0 332.492 2.023 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001439330325 1092016276 /nfs/dbraw/zinc/01/62/76/1092016276.db2.gz YISBMIHIOVTALW-UXIGCNINSA-N 2 0 338.521 2.037 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CC1 ZINC001446248509 1092369682 /nfs/dbraw/zinc/36/96/82/1092369682.db2.gz XYFRYLWCHMJAQK-KRWDZBQOSA-N 2 0 348.466 2.222 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)c1ccccc1F ZINC001446265734 1092407934 /nfs/dbraw/zinc/40/79/34/1092407934.db2.gz JKKUASFOFCDKIZ-AWEZNQCLSA-N 2 0 331.435 2.221 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001446329266 1092531497 /nfs/dbraw/zinc/53/14/97/1092531497.db2.gz IPZFEQPZZWNULV-FQEVSTJZSA-N 2 0 329.488 2.453 10 0 EEAERP Cc1oncc1C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001439801835 1092758725 /nfs/dbraw/zinc/75/87/25/1092758725.db2.gz DALBATCWPQQOCV-HUUCEWRRSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001439811423 1092780750 /nfs/dbraw/zinc/78/07/50/1092780750.db2.gz ILBILVAUGXWQGZ-RBUKOAKNSA-N 2 0 344.503 2.106 10 0 EEAERP COC[C@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001439910260 1092978428 /nfs/dbraw/zinc/97/84/28/1092978428.db2.gz AYIKBSKTXJLHIA-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001439964896 1093077481 /nfs/dbraw/zinc/07/74/81/1093077481.db2.gz QEFWJGWDFHIGIT-ZWKOTPCHSA-N 2 0 349.519 2.058 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001440196297 1093264962 /nfs/dbraw/zinc/26/49/62/1093264962.db2.gz UDPSWKVPPJXHTQ-ZWKOTPCHSA-N 2 0 348.491 2.144 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC001440241669 1093330214 /nfs/dbraw/zinc/33/02/14/1093330214.db2.gz PIHQSQUUPORPJZ-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP C[N@H+](CC(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1)CC(C)(C)C ZINC001448479080 1093498852 /nfs/dbraw/zinc/49/88/52/1093498852.db2.gz CKNNDUQRCCPVRQ-HDICACEKSA-N 2 0 327.488 2.104 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C/Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001448494401 1093520703 /nfs/dbraw/zinc/52/07/03/1093520703.db2.gz IRTATZYEOHVBHT-NSXGMWGKSA-N 2 0 346.302 2.132 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001448512084 1093538264 /nfs/dbraw/zinc/53/82/64/1093538264.db2.gz SDPVMVNPVVTPJW-IYARVYRRSA-N 2 0 335.467 2.481 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001440444284 1093650737 /nfs/dbraw/zinc/65/07/37/1093650737.db2.gz MKIMIFBBOAAGPJ-NXHRZFHOSA-N 2 0 348.491 2.040 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](OC)C2CCCC2)[C@@H]1C ZINC001440491008 1093727293 /nfs/dbraw/zinc/72/72/93/1093727293.db2.gz UFBLBDAXSKAXCV-BPQIPLTHSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001448666557 1093734143 /nfs/dbraw/zinc/73/41/43/1093734143.db2.gz AUWJDUPZZQODIQ-ZBFHGGJFSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cn1 ZINC001440520374 1093772063 /nfs/dbraw/zinc/77/20/63/1093772063.db2.gz OBDVJVWORDOJBE-IRXDYDNUSA-N 2 0 347.507 2.111 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001448721916 1093794299 /nfs/dbraw/zinc/79/42/99/1093794299.db2.gz CEUOSMPKIRQRQR-SJORKVTESA-N 2 0 332.492 2.283 10 0 EEAERP CCC1([NH2+]Cc2ccccn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440535614 1093799031 /nfs/dbraw/zinc/79/90/31/1093799031.db2.gz AZQMKYNBHZHWTK-UHFFFAOYSA-N 2 0 342.487 2.038 10 0 EEAERP C[C@H](CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]C/C=C/Cl ZINC001448729038 1093799082 /nfs/dbraw/zinc/79/90/82/1093799082.db2.gz SUXLKOFNWBQQQZ-PSYXSKQDSA-N 2 0 333.879 2.388 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001440543562 1093812313 /nfs/dbraw/zinc/81/23/13/1093812313.db2.gz OPVYOXZOAHOJCD-MJGOQNOKSA-N 2 0 339.499 2.391 10 0 EEAERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001448742740 1093813693 /nfs/dbraw/zinc/81/36/93/1093813693.db2.gz XTLBRMRHPJTLCE-OAHLLOKOSA-N 2 0 330.476 2.446 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)ccc1C ZINC001448966736 1093972215 /nfs/dbraw/zinc/97/22/15/1093972215.db2.gz BJXNNRNNSIKJON-FUHWJXTLSA-N 2 0 347.503 2.423 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001440763909 1094004762 /nfs/dbraw/zinc/00/47/62/1094004762.db2.gz TUWHMBBBJSOLBD-UHFFFAOYSA-N 2 0 344.459 2.152 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2 ZINC001449014671 1094017241 /nfs/dbraw/zinc/01/72/41/1094017241.db2.gz OPAGBRSYRLHJLB-UYAOXDASSA-N 2 0 329.488 2.294 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001440837853 1094089930 /nfs/dbraw/zinc/08/99/30/1094089930.db2.gz PFHCMELAHSFFCP-CVEARBPZSA-N 2 0 332.492 2.185 10 0 EEAERP CN(CC(C)(C)C[NH2+]C/C(Cl)=C/Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001440886158 1094144303 /nfs/dbraw/zinc/14/43/03/1094144303.db2.gz QLRKUBXUCHILQD-JYRVWZFOSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001440964804 1094221442 /nfs/dbraw/zinc/22/14/42/1094221442.db2.gz ANGYOFZJZHBDII-ZBFHGGJFSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001449301239 1094253769 /nfs/dbraw/zinc/25/37/69/1094253769.db2.gz JHZUFMHXMSTAOL-QZTJIDSGSA-N 2 0 344.503 2.044 10 0 EEAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001440997398 1094266528 /nfs/dbraw/zinc/26/65/28/1094266528.db2.gz SYDMKNPNEFOEKY-SJORKVTESA-N 2 0 347.503 2.295 10 0 EEAERP COc1cccc(C[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1C ZINC001441014630 1094291967 /nfs/dbraw/zinc/29/19/67/1094291967.db2.gz KNVATDNGSZKDGN-UHFFFAOYSA-N 2 0 347.503 2.378 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2scnc2C)C1)[NH+](CC)CC ZINC001441503563 1095187984 /nfs/dbraw/zinc/18/79/84/1095187984.db2.gz FCAHNCWWHQQTSM-QLFBSQMISA-N 2 0 338.521 2.309 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001441578022 1095371831 /nfs/dbraw/zinc/37/18/31/1095371831.db2.gz XIGYVUHIFDGBDI-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC(F)(F)F)CC2 ZINC001441850114 1095934889 /nfs/dbraw/zinc/93/48/89/1095934889.db2.gz ASFNGTQDXURVJE-UKRRQHHQSA-N 2 0 335.414 2.392 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001441915430 1096093962 /nfs/dbraw/zinc/09/39/62/1096093962.db2.gz KRYMKJCQDBSQLT-STQMWFEESA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001442157832 1096413442 /nfs/dbraw/zinc/41/34/42/1096413442.db2.gz VKJUNQMEHRWXOZ-OAHLLOKOSA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc2c(c1)COC2)C(C)(C)C ZINC001442176042 1096443076 /nfs/dbraw/zinc/44/30/76/1096443076.db2.gz FKYNRQNVDAQMKS-SFHVURJKSA-N 2 0 347.503 2.289 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001442196176 1096473855 /nfs/dbraw/zinc/47/38/55/1096473855.db2.gz QAAYAHFMCUYUDD-KBPBESRZSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001442196620 1096475342 /nfs/dbraw/zinc/47/53/42/1096475342.db2.gz FJMRLZJKAIASFE-HOTGVXAUSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001442214265 1096506035 /nfs/dbraw/zinc/50/60/35/1096506035.db2.gz FDEPIMNBUAGNQD-GJZGRUSLSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCF)CC1)[NH+]1CCCC1 ZINC001442218030 1096512151 /nfs/dbraw/zinc/51/21/51/1096512151.db2.gz KDNSBXJDHRZWDG-WBVHZDCISA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001442252854 1096553789 /nfs/dbraw/zinc/55/37/89/1096553789.db2.gz IKZBYGFOSSECSX-MAUKXSAKSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001442263234 1096567012 /nfs/dbraw/zinc/56/70/12/1096567012.db2.gz YHRGOQPKCVZPRC-AYOQOUSVSA-N 2 0 347.503 2.410 10 0 EEAERP COc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)cc1 ZINC001442550567 1096912633 /nfs/dbraw/zinc/91/26/33/1096912633.db2.gz CVPGRQTXNBVTFE-MJGOQNOKSA-N 2 0 345.487 2.260 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001442802265 1097182807 /nfs/dbraw/zinc/18/28/07/1097182807.db2.gz KBJLRDNJCLPHBR-GOSISDBHSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001442883891 1097278634 /nfs/dbraw/zinc/27/86/34/1097278634.db2.gz DFEUFDGPKQTTIF-UYAOXDASSA-N 2 0 343.515 2.399 10 0 EEAERP Cc1cc(C[N@H+](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)cs1 ZINC001442995356 1097414554 /nfs/dbraw/zinc/41/45/54/1097414554.db2.gz NUZPCIGYEGAUOD-GOSISDBHSA-N 2 0 347.528 2.479 10 0 EEAERP CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)C12CC[NH+](CC1)C2 ZINC001443104010 1097516363 /nfs/dbraw/zinc/51/63/63/1097516363.db2.gz TYZXGSPEYYFFOH-QGZVFWFLSA-N 2 0 349.425 2.096 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001443381260 1097898617 /nfs/dbraw/zinc/89/86/17/1097898617.db2.gz VPGPRPDJUZJEBH-QBGJIXDNSA-N 2 0 327.900 2.440 10 0 EEAERP COc1ccc(C[NH+]2CC(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001443648167 1098145057 /nfs/dbraw/zinc/14/50/57/1098145057.db2.gz AVTQEWYKUVFBPH-HOTGVXAUSA-N 2 0 345.487 2.116 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001444036261 1098556191 /nfs/dbraw/zinc/55/61/91/1098556191.db2.gz KKSIRQZOFHTAIG-KBPBESRZSA-N 2 0 341.858 2.415 10 0 EEAERP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)cs1 ZINC001479475315 1098557187 /nfs/dbraw/zinc/55/71/87/1098557187.db2.gz NVCDIBFWUCXTDC-UONOGXRCSA-N 2 0 338.521 2.032 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C[C@H]2CC(C)(C)CO2)CCCC1 ZINC001444084942 1098615217 /nfs/dbraw/zinc/61/52/17/1098615217.db2.gz CSLBPGBJYYLAFD-MRXNPFEDSA-N 2 0 339.524 2.160 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001479689619 1098751064 /nfs/dbraw/zinc/75/10/64/1098751064.db2.gz RWKVVBMPBHCOQA-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001479719463 1098805921 /nfs/dbraw/zinc/80/59/21/1098805921.db2.gz ZAJIHLOQCNFVNA-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC1=CCCCC1 ZINC001479723010 1098814220 /nfs/dbraw/zinc/81/42/20/1098814220.db2.gz LDNCWKXZFDRFPC-APWZRJJASA-N 2 0 349.519 2.177 10 0 EEAERP CCc1nocc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001479788523 1098991437 /nfs/dbraw/zinc/99/14/37/1098991437.db2.gz VKQCPXIIRVGHFA-UHFFFAOYSA-N 2 0 336.480 2.050 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001444647675 1099478360 /nfs/dbraw/zinc/47/83/60/1099478360.db2.gz GJNUICXTRUYLCY-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480208195 1099815030 /nfs/dbraw/zinc/81/50/30/1099815030.db2.gz QPCYBTYPYDFQRN-PNBKFKSVSA-N 2 0 325.472 2.378 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001444928879 1100026129 /nfs/dbraw/zinc/02/61/29/1100026129.db2.gz JLIWKBMACHLBNY-VQTJNVASSA-N 2 0 343.515 2.357 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444939035 1100050580 /nfs/dbraw/zinc/05/05/80/1100050580.db2.gz ZNABUZKLFNFEEC-IEBWSBKVSA-N 2 0 342.487 2.350 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001445024863 1100186226 /nfs/dbraw/zinc/18/62/26/1100186226.db2.gz DKZAZXPVYMXWSA-HUUCEWRRSA-N 2 0 331.451 2.296 10 0 EEAERP C[C@H](CC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445325829 1100561773 /nfs/dbraw/zinc/56/17/73/1100561773.db2.gz OVONZFVDCRPDQY-HUUCEWRRSA-N 2 0 333.451 2.467 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001496276325 1100856645 /nfs/dbraw/zinc/85/66/45/1100856645.db2.gz QOOQFZVXDPUVBA-BRWVUGGUSA-N 2 0 341.459 2.229 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CCCCC2)o1 ZINC001496323861 1100918656 /nfs/dbraw/zinc/91/86/56/1100918656.db2.gz BWGGKXDNQQZHOP-SFHVURJKSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001446522875 1100978434 /nfs/dbraw/zinc/97/84/34/1100978434.db2.gz AWGLWGQBYROUIV-AZUAARDMSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cncc2C)on1 ZINC001496399991 1100992262 /nfs/dbraw/zinc/99/22/62/1100992262.db2.gz BXUIJVGKHJEBIJ-MRXNPFEDSA-N 2 0 345.447 2.049 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001496413991 1101006321 /nfs/dbraw/zinc/00/63/21/1101006321.db2.gz JAKJDMJBZUESJB-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001496451869 1101044775 /nfs/dbraw/zinc/04/47/75/1101044775.db2.gz YLXBLACVPUCCPN-UKRRQHHQSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001495374265 1101089515 /nfs/dbraw/zinc/08/95/15/1101089515.db2.gz OIYSXDDTMHCWHQ-DLBZAZTESA-N 2 0 327.488 2.296 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001495374743 1101091170 /nfs/dbraw/zinc/09/11/70/1101091170.db2.gz WSULVGJODFOAER-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001495377093 1101095603 /nfs/dbraw/zinc/09/56/03/1101095603.db2.gz CILZEIYCKKQLCK-SJORKVTESA-N 2 0 348.491 2.043 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001446692374 1101254981 /nfs/dbraw/zinc/25/49/81/1101254981.db2.gz DAQCHCMYHVSJHI-SFHVURJKSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCOC2CCC2)C1 ZINC001446698626 1101264559 /nfs/dbraw/zinc/26/45/59/1101264559.db2.gz VFKQWALMFIOXLR-LJQANCHMSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCc1ccccc1)[C@@]12CC[N@H+](C1)CCC2 ZINC001495588984 1101294328 /nfs/dbraw/zinc/29/43/28/1101294328.db2.gz JQDKGKMTOKFEKY-CTNGQTDRSA-N 2 0 341.499 2.296 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CCCF)CCC2(F)F)CC1 ZINC001446727764 1101301591 /nfs/dbraw/zinc/30/15/91/1101301591.db2.gz QQDXBVZHYQPXSO-HNNXBMFYSA-N 2 0 349.441 2.151 10 0 EEAERP Cc1ncc(C[NH+]2CCC3(C2)CCN(C(=O)C[N@@H+](C)C(C)C)CC3)o1 ZINC001495608096 1101328239 /nfs/dbraw/zinc/32/82/39/1101328239.db2.gz ZGVSRIVEHUMZDD-UHFFFAOYSA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001495816757 1101636538 /nfs/dbraw/zinc/63/65/38/1101636538.db2.gz VHNYHBIHEYHEHH-ZBFHGGJFSA-N 2 0 338.521 2.105 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCCF)C1CC[NH+](CC2CC2)CC1 ZINC001496911070 1101708684 /nfs/dbraw/zinc/70/86/84/1101708684.db2.gz YPKKJLOVWXPLCC-QZTJIDSGSA-N 2 0 339.499 2.343 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccccc2F)CCCC1 ZINC001495962949 1101840033 /nfs/dbraw/zinc/84/00/33/1101840033.db2.gz NPYWCJYEGAXGIO-UHFFFAOYSA-N 2 0 333.451 2.440 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC2(C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001495974216 1101871116 /nfs/dbraw/zinc/87/11/16/1101871116.db2.gz PCUILVZCNLGXMG-CVEARBPZSA-N 2 0 345.478 2.339 10 0 EEAERP C[C@H](CC[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497191700 1102100101 /nfs/dbraw/zinc/10/01/01/1102100101.db2.gz CNVSGGCTUKOVTE-ZHALLVOQSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497193799 1102105934 /nfs/dbraw/zinc/10/59/34/1102105934.db2.gz KCGMEAQUCFXKEL-HDMKZQKVSA-N 2 0 342.487 2.493 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001497210119 1102131846 /nfs/dbraw/zinc/13/18/46/1102131846.db2.gz YQORESVKGOXSBP-MRVWCRGKSA-N 2 0 347.850 2.246 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCC(C)CC2)c(C)n1 ZINC001496198720 1102206995 /nfs/dbraw/zinc/20/69/95/1102206995.db2.gz ZGNFBGNIUXYAEX-QGZVFWFLSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001497304795 1102286181 /nfs/dbraw/zinc/28/61/81/1102286181.db2.gz QHMQQOADTSAUPB-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001447356502 1102517136 /nfs/dbraw/zinc/51/71/36/1102517136.db2.gz WMQHHCLVHBGXDL-QZTJIDSGSA-N 2 0 348.491 2.280 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)C[NH+]1CCC(C)CC1 ZINC001497471640 1102542328 /nfs/dbraw/zinc/54/23/28/1102542328.db2.gz PKQVNVOJNALEAF-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497476951 1102551475 /nfs/dbraw/zinc/55/14/75/1102551475.db2.gz AWXOOFFRPVYNDC-SFHVURJKSA-N 2 0 347.503 2.227 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497620034 1102761119 /nfs/dbraw/zinc/76/11/19/1102761119.db2.gz IQDQBAYIKXQLPK-HMECNJMJSA-N 2 0 344.503 2.272 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C(Cl)=C\Cl ZINC001447644656 1103041388 /nfs/dbraw/zinc/04/13/88/1103041388.db2.gz RWYBCEKBEJWIEU-QWXNSNQZSA-N 2 0 334.291 2.132 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497961758 1103421148 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339.524 2.258 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001494920104 1104558440 /nfs/dbraw/zinc/55/84/40/1104558440.db2.gz YVRSWMAEGGSPEQ-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497984262 1106737126 /nfs/dbraw/zinc/73/71/26/1106737126.db2.gz XLFCGXBCGTUXDB-WVSRPDOZSA-N 2 0 335.879 2.399 10 0 EEAERP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2)o1)NC(=O)C[NH+]1CCCC1 ZINC001497983973 1106737797 /nfs/dbraw/zinc/73/77/97/1106737797.db2.gz UKDKJYQNOOUACD-OAHLLOKOSA-N 2 0 342.443 2.032 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480624309 1106786072 /nfs/dbraw/zinc/78/60/72/1106786072.db2.gz HEZRZPCDEMUFNU-IBGZPJMESA-N 2 0 329.488 2.214 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001480647357 1106814895 /nfs/dbraw/zinc/81/48/95/1106814895.db2.gz ZSMRBXWHHFEUMU-IEBWSBKVSA-N 2 0 333.520 2.347 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001480659189 1106832282 /nfs/dbraw/zinc/83/22/82/1106832282.db2.gz OZZGYKJHFUPDOV-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)no2)C1)[NH+](CC)CC ZINC001480664255 1106842387 /nfs/dbraw/zinc/84/23/87/1106842387.db2.gz XAJLIUSRFSPYOM-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498059927 1106860128 /nfs/dbraw/zinc/86/01/28/1106860128.db2.gz IAXQCLHECUFVJS-KXBFYZLASA-N 2 0 329.488 2.254 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001480706723 1106924664 /nfs/dbraw/zinc/92/46/64/1106924664.db2.gz HRCYQHZDCQVINI-HZPDHXFCSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001498284261 1107212644 /nfs/dbraw/zinc/21/26/44/1107212644.db2.gz UJTGMYQLRVSRKF-CRAIPNDOSA-N 2 0 347.478 2.412 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498316955 1107280891 /nfs/dbraw/zinc/28/08/91/1107280891.db2.gz OVOJNFPPZHZXDP-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001498425967 1107499532 /nfs/dbraw/zinc/49/95/32/1107499532.db2.gz AJLAWXJAJNEVHC-CVEARBPZSA-N 2 0 345.487 2.289 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1nccs1 ZINC001498502915 1107644097 /nfs/dbraw/zinc/64/40/97/1107644097.db2.gz HXWDJZVYIPGHIA-LSDHHAIUSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccnc1 ZINC001498568696 1107737373 /nfs/dbraw/zinc/73/73/73/1107737373.db2.gz YACLPSHKZZUFJF-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001498582439 1107759939 /nfs/dbraw/zinc/75/99/39/1107759939.db2.gz HNOWEGRHHMTOBS-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP CN(CCC[NH2+]Cc1cnc(Cl)s1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498597642 1107782822 /nfs/dbraw/zinc/78/28/22/1107782822.db2.gz MEKYJOKMAOUJAP-ZDUSSCGKSA-N 2 0 344.912 2.219 10 0 EEAERP Cc1ncoc1CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001493430834 1108144010 /nfs/dbraw/zinc/14/40/10/1108144010.db2.gz VLCQCVVLYXXHQT-DLBZAZTESA-N 2 0 346.475 2.081 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cnccc1C)C1CC1 ZINC001498878250 1108265778 /nfs/dbraw/zinc/26/57/78/1108265778.db2.gz ZPRGWPNFFBVJEK-RTBURBONSA-N 2 0 344.503 2.249 10 0 EEAERP CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001493827347 1108708481 /nfs/dbraw/zinc/70/84/81/1108708481.db2.gz MTINNCDRSUCYKU-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001463643896 1110378238 /nfs/dbraw/zinc/37/82/38/1110378238.db2.gz SWFMGSRBWJGYFG-ROUUACIJSA-N 2 0 333.451 2.374 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)C12CCC[NH+](CCC1)C2 ZINC001479303258 1110678471 /nfs/dbraw/zinc/67/84/71/1110678471.db2.gz WHXVPJMOTJBVBZ-OKILXGFUSA-N 2 0 347.425 2.299 10 0 EEAERP O=C(CCn1ccnc1)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001479468965 1110698758 /nfs/dbraw/zinc/69/87/58/1110698758.db2.gz ZNBIMYHZLVWCAN-RBUKOAKNSA-N 2 0 340.471 2.390 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001499132384 1112140764 /nfs/dbraw/zinc/14/07/64/1112140764.db2.gz PXYPMMKNRNBHAM-IBGZPJMESA-N 2 0 331.504 2.322 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001499447900 1112291684 /nfs/dbraw/zinc/29/16/84/1112291684.db2.gz AMQNPMVXNNQTTJ-YOEHRIQHSA-N 2 0 331.435 2.003 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC001499458155 1112295749 /nfs/dbraw/zinc/29/57/49/1112295749.db2.gz ASMQFDVQBDSRCK-QGZVFWFLSA-N 2 0 343.515 2.370 10 0 EEAERP CCCCC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001500019155 1112581829 /nfs/dbraw/zinc/58/18/29/1112581829.db2.gz YAQFAHPDVUHYSW-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N(CC[NH2+]C/C=C/Cl)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001501199868 1113239073 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QTTYBAKSBLFWAY-VXGBXAGGSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505710363 1114144914 /nfs/dbraw/zinc/14/49/14/1114144914.db2.gz POIVTQJZAYIRBJ-KBPBESRZSA-N 2 0 344.459 2.341 10 0 EEAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001505710990 1114145073 /nfs/dbraw/zinc/14/50/73/1114145073.db2.gz XSXDSIQOEDFINN-JKSUJKDBSA-N 2 0 347.503 2.271 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001505759925 1114173954 /nfs/dbraw/zinc/17/39/54/1114173954.db2.gz DDHARXSFCNCQJD-STQMWFEESA-N 2 0 327.419 2.288 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505952668 1114297502 /nfs/dbraw/zinc/29/75/02/1114297502.db2.gz FBDFWJMYCILDNQ-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCCC(F)(F)F ZINC001506039710 1114365968 /nfs/dbraw/zinc/36/59/68/1114365968.db2.gz ZDIINENJLHSKSJ-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001506830431 1114899648 /nfs/dbraw/zinc/89/96/48/1114899648.db2.gz AEGUDNJZZUMVPQ-BHMLKFMNSA-N 2 0 337.508 2.033 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc2cccnc21 ZINC001507062647 1115088679 /nfs/dbraw/zinc/08/86/79/1115088679.db2.gz MYAMIZPKUYDGEG-QAPCUYQASA-N 2 0 340.471 2.266 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507127919 1115122848 /nfs/dbraw/zinc/12/28/48/1115122848.db2.gz SULUNNNOPHUWMB-CVEARBPZSA-N 2 0 349.523 2.051 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2sccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001507320598 1115191088 /nfs/dbraw/zinc/19/10/88/1115191088.db2.gz NNTIKUKDQWTMAJ-NEPJUHHUSA-N 2 0 329.897 2.432 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]2C1 ZINC001507362861 1115223356 /nfs/dbraw/zinc/22/33/56/1115223356.db2.gz SGTFXCUUOMXSHT-MELADBBJSA-N 2 0 348.318 2.474 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001508118538 1115423078 /nfs/dbraw/zinc/42/30/78/1115423078.db2.gz LQCJTPIETNECHV-YMAMQOFZSA-N 2 0 338.883 2.154 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001567900641 1124165301 /nfs/dbraw/zinc/16/53/01/1124165301.db2.gz HRCARBNQULVUTM-CHWSQXEVSA-N 2 0 336.307 2.101 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001568273645 1124397561 /nfs/dbraw/zinc/39/75/61/1124397561.db2.gz NRHFGLIVILWDHZ-YQVWRLOYSA-N 2 0 347.503 2.151 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001568541115 1124601613 /nfs/dbraw/zinc/60/16/13/1124601613.db2.gz FIBFHLSOLYRFCN-CMWQNVIMSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001568630387 1124644827 /nfs/dbraw/zinc/64/48/27/1124644827.db2.gz BMNKLMSFEYKMBB-PBHICJAKSA-N 2 0 348.491 2.409 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001568633287 1124647760 /nfs/dbraw/zinc/64/77/60/1124647760.db2.gz BLLLNKOXEBNIMP-VHDGCEQUSA-N 2 0 331.451 2.246 10 0 EEAERP C[C@H](CC[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568691981 1124704998 /nfs/dbraw/zinc/70/49/98/1124704998.db2.gz ADBCOBAJWUTONZ-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568929388 1124960642 /nfs/dbraw/zinc/96/06/42/1124960642.db2.gz ZIHXIUIYORBEIP-SFFCAUCYSA-N 2 0 344.503 2.415 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCc1ccccc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569151812 1125130019 /nfs/dbraw/zinc/13/00/19/1125130019.db2.gz PCZQHTJRIYATPQ-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569267048 1125206694 /nfs/dbraw/zinc/20/66/94/1125206694.db2.gz LMEMYKUPSHOOMC-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103300730 219287369 /nfs/dbraw/zinc/28/73/69/219287369.db2.gz OQJIMBFNWXLIPC-GOSISDBHSA-N 2 0 332.492 2.320 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[NH+](CC2CC2)CC1 ZINC000415960589 239021667 /nfs/dbraw/zinc/02/16/67/239021667.db2.gz QILRSSNBDLSLSF-UHFFFAOYSA-N 2 0 332.423 2.031 10 0 EEAERP COc1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC000416335296 239190852 /nfs/dbraw/zinc/19/08/52/239190852.db2.gz UPNPZEPHTWKPNW-UHFFFAOYSA-N 2 0 349.475 2.306 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)CC[NH2+]CC1 ZINC000422974945 240313462 /nfs/dbraw/zinc/31/34/62/240313462.db2.gz FSTWLKHYOAGKQD-NVXWUHKLSA-N 2 0 328.497 2.085 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[NH+](CC)CC ZINC000427148015 241384283 /nfs/dbraw/zinc/38/42/83/241384283.db2.gz RXBFRIRIXJPBAU-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447590571 242293032 /nfs/dbraw/zinc/29/30/32/242293032.db2.gz DLWSIMLETHREED-OWZKRDHZSA-N 3 0 331.504 2.350 10 0 EEAERP COCc1cc(CN2CCC(CCC[NH+]3CCOCC3)CC2)no1 ZINC000459476486 245136542 /nfs/dbraw/zinc/13/65/42/245136542.db2.gz ZULFYXDEMMOORD-UHFFFAOYSA-N 2 0 337.464 2.145 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000248124599 284344673 /nfs/dbraw/zinc/34/46/73/284344673.db2.gz VEKLMZDQEFKTKD-WDSOQIARSA-N 2 0 344.503 2.415 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237677440 160223983 /nfs/dbraw/zinc/22/39/83/160223983.db2.gz KJFUQKAKYGXXMA-QGZVFWFLSA-N 2 0 329.488 2.298 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000246215372 160267898 /nfs/dbraw/zinc/26/78/98/160267898.db2.gz YZRZDAOFQRVOAQ-CABCVRRESA-N 2 0 339.505 2.105 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000345625756 161317380 /nfs/dbraw/zinc/31/73/80/161317380.db2.gz IFRUJNLOTCGAEB-UHFFFAOYSA-N 2 0 346.519 2.290 10 0 EEAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000354952092 163030460 /nfs/dbraw/zinc/03/04/60/163030460.db2.gz PTNPFSKURLVWFC-MSOLQXFVSA-N 2 0 347.478 2.448 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000356206275 163366477 /nfs/dbraw/zinc/36/64/77/163366477.db2.gz LGKSULZZUNUWCT-SFHVURJKSA-N 2 0 344.503 2.387 10 0 EEAERP C[NH+](C)CCc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364212714 165054222 /nfs/dbraw/zinc/05/42/22/165054222.db2.gz KKBBMNWHLZHPCB-MBOZVWFJSA-N 2 0 345.487 2.262 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccnn3-c3ccccc3)C2)CC1 ZINC000369093705 166188640 /nfs/dbraw/zinc/18/86/40/166188640.db2.gz XBEACRJXCJURBB-QGZVFWFLSA-N 2 0 339.487 2.130 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000375840039 167210184 /nfs/dbraw/zinc/21/01/84/167210184.db2.gz OEQIJHXEEMPBME-UMVBOHGHSA-N 2 0 337.489 2.325 10 0 EEAERP CC(C)(C)[C@H](O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357457 275111193 /nfs/dbraw/zinc/11/11/93/275111193.db2.gz GWAGGAKLBXQQPN-WOJBJXKFSA-N 2 0 345.531 2.286 10 0 EEAERP c1nnn(Cc2ccccc2)c1CNC1CC[NH+](C2CCC2)CC1 ZINC000291991362 275361515 /nfs/dbraw/zinc/36/15/15/275361515.db2.gz TVXHQOZNZKQIHX-UHFFFAOYSA-N 2 0 325.460 2.433 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000448276930 276010757 /nfs/dbraw/zinc/01/07/57/276010757.db2.gz VISFNKPZQHWEDV-IRXDYDNUSA-N 2 0 345.491 2.035 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000354100388 276100717 /nfs/dbraw/zinc/10/07/17/276100717.db2.gz LXDQYBOXPPLRSV-SFHVURJKSA-N 2 0 345.491 2.279 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358675042 276182311 /nfs/dbraw/zinc/18/23/11/276182311.db2.gz KBCIQZFUWHUKOU-IBGZPJMESA-N 2 0 344.503 2.111 10 0 EEAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1=O ZINC000248403856 290309778 /nfs/dbraw/zinc/30/97/78/290309778.db2.gz PGTCIPYPQLJCQV-MTQWCTHYSA-N 2 0 341.499 2.498 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC000297222313 294184143 /nfs/dbraw/zinc/18/41/43/294184143.db2.gz XRIKXSPHJCNOSN-UHFFFAOYSA-N 2 0 337.427 2.395 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC000423385426 303117282 /nfs/dbraw/zinc/11/72/82/303117282.db2.gz KQGPIAFAYRIWTQ-FPCVCCKLSA-N 2 0 349.441 2.007 10 0 EEAERP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1O2 ZINC000333737511 312190011 /nfs/dbraw/zinc/19/00/11/312190011.db2.gz VFBIMEKEAHSNMA-VQIMIIECSA-N 2 0 343.471 2.233 10 0 EEAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000414700227 313066648 /nfs/dbraw/zinc/06/66/48/313066648.db2.gz JGHJQDQMJPRYSK-GVDBMIGSSA-N 2 0 330.476 2.429 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414733629 313071794 /nfs/dbraw/zinc/07/17/94/313071794.db2.gz CTTAXTCZCKPSAE-UONOGXRCSA-N 2 0 337.430 2.483 10 0 EEAERP COCCOc1cc2c(cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1)OCO2 ZINC000414976409 313118978 /nfs/dbraw/zinc/11/89/78/313118978.db2.gz PWRRBEGWFHKLSA-OAHLLOKOSA-N 2 0 336.432 2.062 10 0 EEAERP CC[NH+](CC)CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000416812720 313322439 /nfs/dbraw/zinc/32/24/39/313322439.db2.gz LDMIGNVAUVPFNF-UHFFFAOYSA-N 2 0 336.524 2.171 10 0 EEAERP O=C(NCCC[NH2+]C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416868870 313342478 /nfs/dbraw/zinc/34/24/78/313342478.db2.gz FZAWYLAABZGNRV-UHFFFAOYSA-N 2 0 330.476 2.224 10 0 EEAERP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000416874253 313344071 /nfs/dbraw/zinc/34/40/71/313344071.db2.gz PBOYIJMVHXLBSC-QAPCUYQASA-N 2 0 330.476 2.161 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416980955 313381464 /nfs/dbraw/zinc/38/14/64/313381464.db2.gz KHGDPVJVKGAMKG-LJQANCHMSA-N 2 0 342.487 2.318 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccsc1 ZINC000417011530 313393602 /nfs/dbraw/zinc/39/36/02/313393602.db2.gz SGEJGWBSCORNGT-VNQPRFMTSA-N 2 0 338.521 2.428 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000418359388 313793148 /nfs/dbraw/zinc/79/31/48/313793148.db2.gz JCWMNRAEXQSKSK-GOSISDBHSA-N 2 0 336.524 2.411 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418726146 313889710 /nfs/dbraw/zinc/88/97/10/313889710.db2.gz OPBDXVCQHSRACR-VXGBXAGGSA-N 2 0 326.407 2.028 10 0 EEAERP CC[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000434649355 314852202 /nfs/dbraw/zinc/85/22/02/314852202.db2.gz XFVYCESPUIAHRK-GOSISDBHSA-N 2 0 333.476 2.464 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000441304879 315179962 /nfs/dbraw/zinc/17/99/62/315179962.db2.gz SPKZKPIKNIUXMS-RDJZCZTQSA-N 2 0 336.524 2.375 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000529386425 317584581 /nfs/dbraw/zinc/58/45/81/317584581.db2.gz NFGWJTHKRISXGT-AWEZNQCLSA-N 2 0 345.274 2.211 10 0 EEAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000565301397 319170409 /nfs/dbraw/zinc/17/04/09/319170409.db2.gz BLUXQCNBKLWCTA-GJYPPUQNSA-N 2 0 344.503 2.375 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000576135259 320144506 /nfs/dbraw/zinc/14/45/06/320144506.db2.gz ZRAYHRNJQMYONT-MJGOQNOKSA-N 2 0 330.476 2.252 10 0 EEAERP C[C@@H]1COCC[N@@H+]1C1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000576765400 320202241 /nfs/dbraw/zinc/20/22/41/320202241.db2.gz HWOGNDGLZPZING-WIYYLYMNSA-N 2 0 343.515 2.446 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000578010750 320288755 /nfs/dbraw/zinc/28/87/55/320288755.db2.gz JTFVNSLYOFIDPP-SFHVURJKSA-N 2 0 332.492 2.094 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000182682691 323384216 /nfs/dbraw/zinc/38/42/16/323384216.db2.gz YANDSRQTWCBBNR-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000581833324 324326318 /nfs/dbraw/zinc/32/63/18/324326318.db2.gz JIODEHNWJMSJIH-MJGOQNOKSA-N 2 0 329.488 2.451 10 0 EEAERP CCCCNc1cc(C)[nH+]c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000631372136 451715763 /nfs/dbraw/zinc/71/57/63/451715763.db2.gz HUSKGSDRSRIHBM-INIZCTEOSA-N 2 0 333.480 2.032 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487307768 468031312 /nfs/dbraw/zinc/03/13/12/468031312.db2.gz RGWBAKGIMFSXAV-UHFFFAOYSA-N 2 0 329.286 2.394 10 0 EEAERP C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000065517454 462786740 /nfs/dbraw/zinc/78/67/40/462786740.db2.gz ULZRTVPCXUSOLQ-IBGZPJMESA-N 2 0 344.503 2.435 10 0 EEAERP COc1cccc(C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C2CC2)c1 ZINC000121135730 463085293 /nfs/dbraw/zinc/08/52/93/463085293.db2.gz NFRAKJFDEIFEQJ-QUCCMNQESA-N 2 0 332.488 2.453 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000122742349 463289442 /nfs/dbraw/zinc/28/94/42/463289442.db2.gz RORHKJINSIOUKW-QAPCUYQASA-N 2 0 336.524 2.421 10 0 EEAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000081331525 463421312 /nfs/dbraw/zinc/42/13/12/463421312.db2.gz HBBBGFVBUPKQIK-KRWDZBQOSA-N 2 0 347.503 2.431 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000268883914 463793923 /nfs/dbraw/zinc/79/39/23/463793923.db2.gz YNQMAQDLWOWRNI-HMXCVIKNSA-N 2 0 345.531 2.333 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000579569412 468377135 /nfs/dbraw/zinc/37/71/35/468377135.db2.gz OABNNRGAFQTMLL-CYBMUJFWSA-N 2 0 334.439 2.467 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000177982473 463822867 /nfs/dbraw/zinc/82/28/67/463822867.db2.gz XIVXUQBWQXAFBV-GOSISDBHSA-N 2 0 348.466 2.137 10 0 EEAERP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261907015 463895038 /nfs/dbraw/zinc/89/50/38/463895038.db2.gz IMBSKZYOZMDBTL-GUDVDZBRSA-N 2 0 345.487 2.073 10 0 EEAERP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)ccc1OC ZINC000261917185 463898686 /nfs/dbraw/zinc/89/86/86/463898686.db2.gz JUIMORAFUKLROF-BBWFWOEESA-N 2 0 334.460 2.341 10 0 EEAERP C[C@@]1(CN2CCC(c3nc(-c4ccccn4)no3)CC2)CC[NH2+]C1 ZINC000261958455 463911169 /nfs/dbraw/zinc/91/11/69/463911169.db2.gz GXNWIZBHWJVDSA-GOSISDBHSA-N 2 0 327.432 2.311 10 0 EEAERP Cc1cnn(CCCCC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000171929614 463952479 /nfs/dbraw/zinc/95/24/79/463952479.db2.gz YQRUXYFTBOYKSF-SFHVURJKSA-N 2 0 336.524 2.386 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246579910 464601766 /nfs/dbraw/zinc/60/17/66/464601766.db2.gz YCCWZQLGILMMSU-WDSOQIARSA-N 2 0 344.503 2.433 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247990830 464721522 /nfs/dbraw/zinc/72/15/22/464721522.db2.gz JBYZLCRQTFMBMA-UHOSZYNNSA-N 2 0 344.503 2.415 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCC=CO3)c2)C1 ZINC000248750959 464795724 /nfs/dbraw/zinc/79/57/24/464795724.db2.gz BXVIGFUTCIYWIX-RTBURBONSA-N 2 0 343.471 2.166 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCOc3ccccc32)[C@@H](C)C1 ZINC000348316736 465546095 /nfs/dbraw/zinc/54/60/95/465546095.db2.gz GTZRIEJYHYMFJT-DLBZAZTESA-N 2 0 345.487 2.464 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338003318 465742816 /nfs/dbraw/zinc/74/28/16/465742816.db2.gz VOIJXULLUDBQIX-UFYCRDLUSA-N 2 0 343.515 2.444 10 0 EEAERP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349778993 466236696 /nfs/dbraw/zinc/23/66/96/466236696.db2.gz RVHRQNPWZWKFPG-QZTJIDSGSA-N 2 0 348.466 2.307 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000304962174 466324063 /nfs/dbraw/zinc/32/40/63/466324063.db2.gz MTVYRZIEAGEHOG-QUCCMNQESA-N 2 0 331.504 2.469 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000594132625 468493349 /nfs/dbraw/zinc/49/33/49/468493349.db2.gz BGWDZULXZIWOGC-CALCHBBNSA-N 2 0 345.491 2.176 10 0 EEAERP C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000358158412 466502086 /nfs/dbraw/zinc/50/20/86/466502086.db2.gz NRKIMKMTSZJOLM-HPUBIQBYSA-N 2 0 333.476 2.322 10 0 EEAERP CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310275189 466511076 /nfs/dbraw/zinc/51/10/76/466511076.db2.gz UQCSMYHOOROLDX-GOSISDBHSA-N 2 0 329.488 2.499 10 0 EEAERP CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000310550652 466516596 /nfs/dbraw/zinc/51/65/96/466516596.db2.gz UJIAOTXRJDBJKZ-HKUYNNGSSA-N 2 0 329.488 2.484 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000358198081 466534336 /nfs/dbraw/zinc/53/43/36/466534336.db2.gz WVVKBJCKCWLUEY-UHFFFAOYSA-N 2 0 344.503 2.460 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417217504 466804926 /nfs/dbraw/zinc/80/49/26/466804926.db2.gz DJGZZJAYENXMCJ-KANFNMMFSA-N 2 0 342.487 2.358 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373470841 466814586 /nfs/dbraw/zinc/81/45/86/466814586.db2.gz ULODACGBIXJASQ-AOCRQIFASA-N 2 0 336.524 2.377 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000417310723 466830339 /nfs/dbraw/zinc/83/03/39/466830339.db2.gz KPGZCCDMBRKFNN-OWCLPIDISA-N 2 0 334.464 2.198 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccco1 ZINC000417314200 466831313 /nfs/dbraw/zinc/83/13/13/466831313.db2.gz QVWFKKNOJLWEEN-ARFHVFGLSA-N 2 0 334.464 2.056 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[NH+]2CCCC2)o1 ZINC000417423410 466856927 /nfs/dbraw/zinc/85/69/27/466856927.db2.gz QSMLGURCCVGSHO-ULQDDVLXSA-N 2 0 346.475 2.118 10 0 EEAERP C[C@@H](CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417817025 466943432 /nfs/dbraw/zinc/94/34/32/466943432.db2.gz QYZXHQJHYOCHQH-QFBILLFUSA-N 2 0 344.503 2.433 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417841973 466952611 /nfs/dbraw/zinc/95/26/11/466952611.db2.gz MJIIMTWZJRIZRU-OAHLLOKOSA-N 2 0 346.466 2.041 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418341947 467095335 /nfs/dbraw/zinc/09/53/35/467095335.db2.gz IBALUNKWMFXCBG-NXHRZFHOSA-N 2 0 330.476 2.215 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418554585 467128123 /nfs/dbraw/zinc/12/81/23/467128123.db2.gz VKPXOGHIMNAIRC-RTBURBONSA-N 2 0 344.503 2.292 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418701494 467147571 /nfs/dbraw/zinc/14/75/71/467147571.db2.gz GLRLBAMDKYCACY-ABSDTBQOSA-N 2 0 344.503 2.420 10 0 EEAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372449 467382685 /nfs/dbraw/zinc/38/26/85/467382685.db2.gz MICSKJHXSQSASG-LJQANCHMSA-N 2 0 331.460 2.489 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969588 467405025 /nfs/dbraw/zinc/40/50/25/467405025.db2.gz ZFJZPICEHHDUGF-UZLBHIALSA-N 2 0 337.467 2.438 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277673 467476386 /nfs/dbraw/zinc/47/63/86/467476386.db2.gz YGPQXQIMWPUONW-HKUYNNGSSA-N 2 0 349.519 2.124 10 0 EEAERP C[C@@H](Cc1ccoc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000449179974 467622349 /nfs/dbraw/zinc/62/23/49/467622349.db2.gz XTBBRVIBBNQBIO-HNNXBMFYSA-N 2 0 335.492 2.427 10 0 EEAERP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529360827 467852191 /nfs/dbraw/zinc/85/21/91/467852191.db2.gz SYBKRDHHWPILIK-QGZVFWFLSA-N 2 0 346.475 2.170 10 0 EEAERP Cn1cnc(CCNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000529476975 467868762 /nfs/dbraw/zinc/86/87/62/467868762.db2.gz HHNCVLGCGFKQDV-KRWDZBQOSA-N 2 0 346.862 2.397 10 0 EEAERP COc1ccccc1/C=C\C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000567871606 468228815 /nfs/dbraw/zinc/22/88/15/468228815.db2.gz WYGXDYZONBWXHP-BQLWYNFJSA-N 2 0 331.460 2.028 10 0 EEAERP C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557180283 468618925 /nfs/dbraw/zinc/61/89/25/468618925.db2.gz FOYYSQHWDPSDFC-FPAYPSAMSA-N 2 0 344.503 2.194 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccc1I ZINC000600711719 468629325 /nfs/dbraw/zinc/62/93/25/468629325.db2.gz RPZHSUJBVGRJOI-LLVKDONJSA-N 2 0 348.228 2.178 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000561125625 468865759 /nfs/dbraw/zinc/86/57/59/468865759.db2.gz MYXZFZYIZBAGBJ-BPQIPLTHSA-N 2 0 330.476 2.121 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000561310849 468886157 /nfs/dbraw/zinc/88/61/57/468886157.db2.gz SRWUAFOEZXLNFA-QGZVFWFLSA-N 2 0 335.467 2.448 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000572380891 468926303 /nfs/dbraw/zinc/92/63/03/468926303.db2.gz BHAJJJFSLHATNI-SJORKVTESA-N 2 0 330.476 2.121 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000604768309 469509343 /nfs/dbraw/zinc/50/93/43/469509343.db2.gz WRHFRROECCDVEC-UHFFFAOYSA-N 2 0 340.467 2.247 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000629529256 469573195 /nfs/dbraw/zinc/57/31/95/469573195.db2.gz WTOOBHVMHQSZIH-CQSZACIVSA-N 2 0 343.265 2.488 10 0 EEAERP C[NH2+]CCOCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000629528858 469573309 /nfs/dbraw/zinc/57/33/09/469573309.db2.gz LFZCWIBWVNXNQF-UHFFFAOYSA-N 2 0 343.874 2.269 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000629653794 469599277 /nfs/dbraw/zinc/59/92/77/469599277.db2.gz NTZGRBQTMBTSAW-UHFFFAOYSA-N 2 0 329.444 2.425 10 0 EEAERP C[C@H](CCNC(=O)N[C@H]1CC[NH2+]C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000626991880 469780643 /nfs/dbraw/zinc/78/06/43/469780643.db2.gz LYZPJQYKCKYMEA-AEFFLSMTSA-N 2 0 344.503 2.481 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000626993165 469781318 /nfs/dbraw/zinc/78/13/18/469781318.db2.gz CQVGJJYORAUMFS-GDAAHCPNSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C[NH2+]1 ZINC000627017022 469791252 /nfs/dbraw/zinc/79/12/52/469791252.db2.gz YGEUPXXRZWOLJO-KPFFTGBYSA-N 2 0 344.503 2.481 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000627033354 469797451 /nfs/dbraw/zinc/79/74/51/469797451.db2.gz HRSVGJKZMZAYJL-DZJNRPSUSA-N 2 0 332.492 2.426 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000627040530 469798874 /nfs/dbraw/zinc/79/88/74/469798874.db2.gz NEFRSTQFEUWFCL-YTQUADARSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193836 469839582 /nfs/dbraw/zinc/83/95/82/469839582.db2.gz QQDYGLCFPGDYAK-SJLPKXTDSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000627239407 469854026 /nfs/dbraw/zinc/85/40/26/469854026.db2.gz AXOBTNUOGJMMOS-XYJFISCASA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000627243870 469855483 /nfs/dbraw/zinc/85/54/83/469855483.db2.gz XQDQAZNSWXYDMH-HQRMLTQVSA-N 2 0 342.487 2.044 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000620966139 469962125 /nfs/dbraw/zinc/96/21/25/469962125.db2.gz AWDYBCZZIDFWLT-RBUKOAKNSA-N 2 0 347.503 2.249 10 0 EEAERP Cc1cn2c(n1)C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000624547629 469974140 /nfs/dbraw/zinc/97/41/40/469974140.db2.gz PBEGJGUFKRYNFJ-ZBFHGGJFSA-N 2 0 332.492 2.381 10 0 EEAERP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(C)n1 ZINC000627753970 469993347 /nfs/dbraw/zinc/99/33/47/469993347.db2.gz IJTDXVJCOWONCV-MRXNPFEDSA-N 2 0 344.459 2.160 10 0 EEAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000625522230 470159898 /nfs/dbraw/zinc/15/98/98/470159898.db2.gz LWZIIGVOECXCNX-NSHDSACASA-N 2 0 327.375 2.116 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cn2)CC1 ZINC000634678378 470279554 /nfs/dbraw/zinc/27/95/54/470279554.db2.gz QWAALMJVHFSJAY-KRWDZBQOSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634699925 470281167 /nfs/dbraw/zinc/28/11/67/470281167.db2.gz QPGXQHBOALMESG-JFRXWTBNSA-N 2 0 326.525 2.246 10 0 EEAERP COc1cncc(/C=C\CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000645828567 470431635 /nfs/dbraw/zinc/43/16/35/470431635.db2.gz XNZYIZDFKFIFKW-WSGSOLELSA-N 2 0 344.503 2.205 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)ccc1F ZINC000646001844 470489501 /nfs/dbraw/zinc/48/95/01/470489501.db2.gz RTWKQSFPUDLBJI-GOSISDBHSA-N 2 0 341.430 2.391 10 0 EEAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC/C=C/C[NH3+] ZINC000641869437 470504469 /nfs/dbraw/zinc/50/44/69/470504469.db2.gz ACNCLHTXXMRASN-DKFQHHCZSA-N 2 0 330.476 2.055 10 0 EEAERP COc1ccc(OCCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103363 470527584 /nfs/dbraw/zinc/52/75/84/470527584.db2.gz PQUKVEMPTHPRNF-UHFFFAOYSA-N 2 0 334.460 2.261 10 0 EEAERP CCN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649306034 470539782 /nfs/dbraw/zinc/53/97/82/470539782.db2.gz VZIKFGCIRCBAMF-SJLPKXTDSA-N 2 0 345.487 2.049 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000635438409 470586300 /nfs/dbraw/zinc/58/63/00/470586300.db2.gz CUYGYJGUXJUNCR-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP O=C(C[N@@H+]1CCC12CCCC2)Nc1ccc(CN2CCOCC2)cc1 ZINC000649655844 470655978 /nfs/dbraw/zinc/65/59/78/470655978.db2.gz SOCIASGZJBNRPJ-UHFFFAOYSA-N 2 0 343.471 2.476 10 0 EEAERP O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(C2CC2)CC1 ZINC000646775816 470733209 /nfs/dbraw/zinc/73/32/09/470733209.db2.gz VATYMWBYKNGKLG-IBGZPJMESA-N 2 0 341.499 2.248 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCO3)C1 ZINC000650722218 470951233 /nfs/dbraw/zinc/95/12/33/470951233.db2.gz NHENBJOPLXJHBD-JFIYKMOQSA-N 2 0 332.444 2.319 10 0 EEAERP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2O1 ZINC000647801423 470988698 /nfs/dbraw/zinc/98/86/98/470988698.db2.gz VBNCSSFYLYXHGR-MELADBBJSA-N 2 0 340.370 2.255 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000644618855 470997806 /nfs/dbraw/zinc/99/78/06/470997806.db2.gz MDZDSQDOFKOSMG-LYBXBRPPSA-N 2 0 349.494 2.050 10 0 EEAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000654561767 471072568 /nfs/dbraw/zinc/07/25/68/471072568.db2.gz PAVXKEWDPBYVQI-CWLKWCNXSA-N 2 0 332.492 2.317 10 0 EEAERP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638426259 471089865 /nfs/dbraw/zinc/08/98/65/471089865.db2.gz OROSBAZHOLIVLG-AEFFLSMTSA-N 2 0 329.488 2.403 10 0 EEAERP CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657310772 471095646 /nfs/dbraw/zinc/09/56/46/471095646.db2.gz DVPLPZVHTUFYSQ-UHFFFAOYSA-N 2 0 341.459 2.394 10 0 EEAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657367668 471115016 /nfs/dbraw/zinc/11/50/16/471115016.db2.gz RJBJTEZFMVUNCI-IRXDYDNUSA-N 3 0 343.475 2.246 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654664599 471119910 /nfs/dbraw/zinc/11/99/10/471119910.db2.gz FOLRTAMUUNIXKB-WSTZPKSXSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000657573567 471172205 /nfs/dbraw/zinc/17/22/05/471172205.db2.gz QFOLUPAQRWDQDU-HNNXBMFYSA-N 2 0 335.521 2.295 10 0 EEAERP CC(C)(C)n1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657593978 471178185 /nfs/dbraw/zinc/17/81/85/471178185.db2.gz FINUBZITISTLHT-IBGZPJMESA-N 2 0 342.487 2.495 10 0 EEAERP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657594267 471178338 /nfs/dbraw/zinc/17/83/38/471178338.db2.gz HXKFDYZXXZICPK-LJQANCHMSA-N 2 0 328.460 2.320 10 0 EEAERP CCCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595999 471180055 /nfs/dbraw/zinc/18/00/55/471180055.db2.gz KRTLVCAFWWSBDA-IBGZPJMESA-N 2 0 328.460 2.150 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652121608 471239306 /nfs/dbraw/zinc/23/93/06/471239306.db2.gz PHKMKQXJDYEXAV-UHFFFAOYSA-N 2 0 332.492 2.457 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000652128232 471240671 /nfs/dbraw/zinc/24/06/71/471240671.db2.gz SWSUCUPBQVSERC-HOTGVXAUSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000658107278 471266568 /nfs/dbraw/zinc/26/65/68/471266568.db2.gz GFLCLNSNCIYXEZ-IRXDYDNUSA-N 2 0 344.507 2.190 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658109219 471266671 /nfs/dbraw/zinc/26/66/71/471266671.db2.gz UMSDMPPQHVOEJN-HOTGVXAUSA-N 2 0 328.504 2.497 10 0 EEAERP CCO[C@@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000652357051 471278525 /nfs/dbraw/zinc/27/85/25/471278525.db2.gz ZAIYQPZDTPUDSX-IUODEOHRSA-N 2 0 332.366 2.380 10 0 EEAERP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652361118 471279489 /nfs/dbraw/zinc/27/94/89/471279489.db2.gz YLTVWDAQCRCLDN-JQHSSLGASA-N 2 0 331.460 2.294 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652577319 471310082 /nfs/dbraw/zinc/31/00/82/471310082.db2.gz WJHIJPWAFIWPBE-UHFFFAOYSA-N 2 0 334.464 2.268 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669125165 471388968 /nfs/dbraw/zinc/38/89/68/471388968.db2.gz VMFHBUIQCODAHA-APHBUQMISA-N 2 0 330.476 2.233 10 0 EEAERP C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000655748639 471467466 /nfs/dbraw/zinc/46/74/66/471467466.db2.gz FFHMGRBAECAXOG-SZMVWBNQSA-N 2 0 349.544 2.149 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659039651 471482082 /nfs/dbraw/zinc/48/20/82/471482082.db2.gz IMPBUUVKMAZSDE-GOSISDBHSA-N 2 0 346.475 2.297 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925247 471553214 /nfs/dbraw/zinc/55/32/14/471553214.db2.gz AIFXQDNRVKXMHR-ZDUSSCGKSA-N 2 0 330.375 2.141 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000666919772 471587394 /nfs/dbraw/zinc/58/73/94/471587394.db2.gz DRFQLQGXPHAQHC-AWEZNQCLSA-N 2 0 348.482 2.193 10 0 EEAERP c1nc(N2CCCCC2)cc(N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000664009564 471606832 /nfs/dbraw/zinc/60/68/32/471606832.db2.gz LSHQNGZMMKOMLG-UHFFFAOYSA-N 2 0 345.491 2.158 10 0 EEAERP CC(C)([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659520729 471665366 /nfs/dbraw/zinc/66/53/66/471665366.db2.gz MLCJADRWBZNHTN-QGZVFWFLSA-N 2 0 344.503 2.325 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc(C2CC2)n1 ZINC000667145681 471669708 /nfs/dbraw/zinc/66/97/08/471669708.db2.gz VYIRQESCJYOVHJ-AWEZNQCLSA-N 2 0 333.480 2.353 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000659620932 471702013 /nfs/dbraw/zinc/70/20/13/471702013.db2.gz STKWRPMLAYJXQJ-RTBURBONSA-N 2 0 346.519 2.318 10 0 EEAERP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661627246 471831769 /nfs/dbraw/zinc/83/17/69/471831769.db2.gz PSJLHALEZPKJCT-KPFGOTRDSA-N 2 0 326.525 2.054 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000654391019 471939756 /nfs/dbraw/zinc/93/97/56/471939756.db2.gz CSFQLOXVLQLCBG-XOKHGSTOSA-N 2 0 336.455 2.068 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000665285800 471989965 /nfs/dbraw/zinc/98/99/65/471989965.db2.gz XBGOBHDHEIEZAW-OAHLLOKOSA-N 2 0 333.476 2.336 10 0 EEAERP CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668732739 472242631 /nfs/dbraw/zinc/24/26/31/472242631.db2.gz FZRAAOMQPLSPNJ-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662771407 472245057 /nfs/dbraw/zinc/24/50/57/472245057.db2.gz HAOCRRTVANBYTD-CEXWTWQISA-N 2 0 329.488 2.185 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)on1 ZINC000662772408 472245404 /nfs/dbraw/zinc/24/54/04/472245404.db2.gz HFJNNLCJJHMOSD-CYBMUJFWSA-N 2 0 348.834 2.309 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000679297759 485651394 /nfs/dbraw/zinc/65/13/94/485651394.db2.gz IABOYBLOUIAYMH-UHOSZYNNSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCN2Cc2ccccn2)CC1 ZINC000676760516 486300360 /nfs/dbraw/zinc/30/03/60/486300360.db2.gz GPFQFHVOAGPVPO-FAFZWHIHSA-N 2 0 344.503 2.283 10 0 EEAERP CC(C)N(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000191338072 528840146 /nfs/dbraw/zinc/84/01/46/528840146.db2.gz DHLURVYILUPHTG-QGZVFWFLSA-N 2 0 348.535 2.451 10 0 EEAERP CC(C)(CC[NH3+])NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000422621421 535024467 /nfs/dbraw/zinc/02/44/67/535024467.db2.gz QDDJEVWETQQOBG-IBGZPJMESA-N 2 0 332.492 2.468 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+]1CCCC1 ZINC000236663554 535102515 /nfs/dbraw/zinc/10/25/15/535102515.db2.gz XREWBOFZTSTLBU-HZPDHXFCSA-N 2 0 327.538 2.098 10 0 EEAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426485009 535858900 /nfs/dbraw/zinc/85/89/00/535858900.db2.gz HUYIYCJFPBNMTQ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000755235718 577822264 /nfs/dbraw/zinc/82/22/64/577822264.db2.gz JOHPZRPORBNGPI-HXUWFJFHSA-N 2 0 345.531 2.378 10 0 EEAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccnn1CC1CCC1 ZINC000924964728 682055171 /nfs/dbraw/zinc/05/51/71/682055171.db2.gz CHQYKCIEADZYFT-KRWDZBQOSA-N 2 0 333.524 2.361 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)(N2CCCCC2)CC1 ZINC000925512323 683884333 /nfs/dbraw/zinc/88/43/33/683884333.db2.gz BCOLARPWFDYVDM-ROUUACIJSA-N 3 0 336.568 2.432 10 0 EEAERP CC[N@H+]1CCc2nnc([C@H]3CC[NH+](CCc4ccccc4)C3)n2CC1 ZINC000257189021 684145491 /nfs/dbraw/zinc/14/54/91/684145491.db2.gz HDIODYVNJVIAAP-SFHVURJKSA-N 2 0 339.487 2.188 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C1(CO)CC1 ZINC000895253796 684394011 /nfs/dbraw/zinc/39/40/11/684394011.db2.gz KKRHDNQKUKKZDK-LLVKDONJSA-N 2 0 342.386 2.320 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)C1 ZINC000925659362 684779330 /nfs/dbraw/zinc/77/93/30/684779330.db2.gz CVIFTGDBZSTKDT-IAGOWNOFSA-N 2 0 338.517 2.140 10 0 EEAERP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000924703958 693221038 /nfs/dbraw/zinc/22/10/38/693221038.db2.gz IYTSWBQEDLBBJE-SFHVURJKSA-N 2 0 334.460 2.055 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC001485622693 1191866177 /nfs/dbraw/zinc/86/61/77/1191866177.db2.gz CLXRYQPGEYDCEP-OKYOBFRVSA-N 2 0 329.488 2.067 10 0 EEAERP CCc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001485628765 1191868443 /nfs/dbraw/zinc/86/84/43/1191868443.db2.gz VGNGENCOHDNHTF-OWZKRDHZSA-N 2 0 341.499 2.139 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CCCOC(C)C)C2 ZINC001485666913 1191887090 /nfs/dbraw/zinc/88/70/90/1191887090.db2.gz VTCZIVWOCNCGEK-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001485696326 1191903120 /nfs/dbraw/zinc/90/31/20/1191903120.db2.gz VJIJIVJLIJCKOQ-KOMQPUFPSA-N 2 0 335.517 2.117 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccn1 ZINC001485750880 1191931965 /nfs/dbraw/zinc/93/19/65/1191931965.db2.gz DDQLVQVUNWFHDG-WMZOPIPTSA-N 2 0 332.492 2.331 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cc(C)on1 ZINC001485752242 1191933075 /nfs/dbraw/zinc/93/30/75/1191933075.db2.gz UZDZONXYJSQNBP-WMLDXEAASA-N 2 0 336.480 2.232 10 0 EEAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC001480875080 1176577818 /nfs/dbraw/zinc/57/78/18/1176577818.db2.gz OGRPYEKPZQKVOO-OAHLLOKOSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001670557331 1176904064 /nfs/dbraw/zinc/90/40/64/1176904064.db2.gz SEKVDMXXYSGKPA-OAHLLOKOSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]C[C@H]2CCO[C@H](C)C2)ccc2c[nH+]cn21 ZINC001266754481 1177353888 /nfs/dbraw/zinc/35/38/88/1177353888.db2.gz ROPRRTFVVCFXIJ-ZBFHGGJFSA-N 2 0 344.459 2.119 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001266764361 1177375787 /nfs/dbraw/zinc/37/57/87/1177375787.db2.gz PTIKMFJVKNPUNY-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001266912216 1177785251 /nfs/dbraw/zinc/78/52/51/1177785251.db2.gz XUVOAFRQGGRQKE-UHFFFAOYSA-N 2 0 344.459 2.310 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001267065001 1178178241 /nfs/dbraw/zinc/17/82/41/1178178241.db2.gz OQJWMNUYLUVXQW-LJQANCHMSA-N 2 0 341.499 2.071 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267070332 1178187348 /nfs/dbraw/zinc/18/73/48/1178187348.db2.gz LFOYMCUTCYNUDT-SFHVURJKSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)n1 ZINC001267109569 1178265557 /nfs/dbraw/zinc/26/55/57/1178265557.db2.gz ISQMLDOLFLMSKP-HZPDHXFCSA-N 2 0 332.492 2.119 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](C)C ZINC001267180240 1178437652 /nfs/dbraw/zinc/43/76/52/1178437652.db2.gz XQJZOFLGRGTJOD-SJORKVTESA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1C[C@H]1CCCOC1 ZINC001267181873 1178441809 /nfs/dbraw/zinc/44/18/09/1178441809.db2.gz PMKAUFRCKJMBLT-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001267278106 1178663633 /nfs/dbraw/zinc/66/36/33/1178663633.db2.gz GELBRMUSFYPZMH-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC001691446031 1178830177 /nfs/dbraw/zinc/83/01/77/1178830177.db2.gz OYJSDAAGFWJHSZ-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP CC[C@H](C(=O)NCCN(CC)Cc1cccc(Cl)n1)[NH+](C)C ZINC001480982437 1179421475 /nfs/dbraw/zinc/42/14/75/1179421475.db2.gz VPFRGVICFFFJSR-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1cnccc1C ZINC001481012088 1179491233 /nfs/dbraw/zinc/49/12/33/1179491233.db2.gz UJDDOQZCIXBHBV-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001481125098 1179825350 /nfs/dbraw/zinc/82/53/50/1179825350.db2.gz BBUQXAZQXIPHDG-CQSZACIVSA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+](C)CCOc1cc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)ccn1 ZINC000925629030 1180708938 /nfs/dbraw/zinc/70/89/38/1180708938.db2.gz KATCLNCGLXFHHJ-OALUTQOASA-N 2 0 346.519 2.280 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001481279871 1180758808 /nfs/dbraw/zinc/75/88/08/1180758808.db2.gz MKQMCJJHSJGRIJ-INIZCTEOSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)c2ccc3c[nH+]cn3c2C)co1 ZINC001267994927 1180934156 /nfs/dbraw/zinc/93/41/56/1180934156.db2.gz YKXWBXBQLWXJGL-LBPRGKRZSA-N 2 0 341.415 2.095 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCc1ccccc1Cl ZINC001267998697 1180945837 /nfs/dbraw/zinc/94/58/37/1180945837.db2.gz LISSLQVOEYYNIY-RHSMWYFYSA-N 2 0 337.895 2.319 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481437610 1181340213 /nfs/dbraw/zinc/34/02/13/1181340213.db2.gz WHQHIKPVOIOBNW-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268080251 1181691091 /nfs/dbraw/zinc/69/10/91/1181691091.db2.gz WEEIUGUKFAFJIO-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccn1 ZINC001691769460 1181702571 /nfs/dbraw/zinc/70/25/71/1181702571.db2.gz IJAWOEFGJSBJGQ-MJGOQNOKSA-N 2 0 344.503 2.427 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268094662 1181734070 /nfs/dbraw/zinc/73/40/70/1181734070.db2.gz POSBEMKFOWFZGJ-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001691500029 1182055144 /nfs/dbraw/zinc/05/51/44/1182055144.db2.gz HUHGZSJOJHCKQY-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001268287698 1182166369 /nfs/dbraw/zinc/16/63/69/1182166369.db2.gz PAHJNSIDTOTUME-VQTJNVASSA-N 2 0 343.515 2.445 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268490683 1182982504 /nfs/dbraw/zinc/98/25/04/1182982504.db2.gz GTLNXPPVRNXLLX-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1sc(C)nc1C)[NH+](C)C ZINC001268493670 1182995489 /nfs/dbraw/zinc/99/54/89/1182995489.db2.gz YJGGGSNBADLWEB-AWEZNQCLSA-N 2 0 326.510 2.038 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001481939516 1182996562 /nfs/dbraw/zinc/99/65/62/1182996562.db2.gz OTMBGSHOIGBFLZ-XMLNKZGGSA-N 2 0 327.900 2.344 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001481962878 1183036246 /nfs/dbraw/zinc/03/62/46/1183036246.db2.gz HLTRJROALPGBCN-XLIONFOSSA-N 2 0 344.503 2.332 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2nocc2C)CC1)[NH+](C)C ZINC001482004067 1183120805 /nfs/dbraw/zinc/12/08/05/1183120805.db2.gz NAMQXUHBWCOYPD-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001268556079 1183248436 /nfs/dbraw/zinc/24/84/36/1183248436.db2.gz MSKXIIAPDHEBPY-IHWYPQMZSA-N 2 0 342.487 2.028 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001268591211 1183392394 /nfs/dbraw/zinc/39/23/94/1183392394.db2.gz OLUMGVDHBVFTJJ-YIEVGGLXSA-N 2 0 329.488 2.407 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001482137961 1183453678 /nfs/dbraw/zinc/45/36/78/1183453678.db2.gz HOUHLFZGYHLZAD-GDBMZVCRSA-N 2 0 345.478 2.496 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001268626014 1183550183 /nfs/dbraw/zinc/55/01/83/1183550183.db2.gz LVUGNGOXGAFEJS-HBEZFXCMSA-N 2 0 327.472 2.304 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccnc1C ZINC001268795345 1183712323 /nfs/dbraw/zinc/71/23/23/1183712323.db2.gz HHJMYKGGEOYUKZ-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001268993035 1183882802 /nfs/dbraw/zinc/88/28/02/1183882802.db2.gz LYXRXXZVGWSQIP-IKGGRYGDSA-N 2 0 325.472 2.286 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCc2ccsc2)C2CC2)C1 ZINC001269145111 1184000341 /nfs/dbraw/zinc/00/03/41/1184000341.db2.gz NGRXCKIUTSQKFQ-IRXDYDNUSA-N 2 0 335.517 2.117 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCOC ZINC001269189332 1184041503 /nfs/dbraw/zinc/04/15/03/1184041503.db2.gz SNANMGSTUYRBIT-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001269251792 1184101213 /nfs/dbraw/zinc/10/12/13/1184101213.db2.gz RTWNQBZZLFPOEN-KRWDZBQOSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269251192 1184102539 /nfs/dbraw/zinc/10/25/39/1184102539.db2.gz MELZLNLUJMFQJJ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(CCn1ccnc1)N1CC[C@@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001269736289 1184568914 /nfs/dbraw/zinc/56/89/14/1184568914.db2.gz JPOALLDZUYKNFH-GOSISDBHSA-N 2 0 336.455 2.337 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001269765945 1184603353 /nfs/dbraw/zinc/60/33/53/1184603353.db2.gz NWDKSRNQDFJSJE-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCc1ccccc1 ZINC001270552047 1185166258 /nfs/dbraw/zinc/16/62/58/1185166258.db2.gz ZOEYITMZGYCDPV-GOSISDBHSA-N 2 0 331.504 2.303 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C(=O)CCn1ccnc1 ZINC001482312368 1185291180 /nfs/dbraw/zinc/29/11/80/1185291180.db2.gz GSSDMUSYQNKSLZ-ZIAGYGMSSA-N 2 0 328.407 2.145 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482399535 1185617774 /nfs/dbraw/zinc/61/77/74/1185617774.db2.gz ZWWNNITZGYVRJG-MSOLQXFVSA-N 2 0 349.494 2.440 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001482444107 1185750744 /nfs/dbraw/zinc/75/07/44/1185750744.db2.gz IQTOPRCLCACZLD-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550193 1186310773 /nfs/dbraw/zinc/31/07/73/1186310773.db2.gz NKRZLFWFUPXHDP-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c(C)n1 ZINC001482533717 1186545065 /nfs/dbraw/zinc/54/50/65/1186545065.db2.gz NNKGIWTWICFLSB-SFHVURJKSA-N 2 0 346.519 2.413 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C)[NH+](C)C ZINC001271900786 1186595993 /nfs/dbraw/zinc/59/59/93/1186595993.db2.gz KRRZRWCLWZUOCW-GJZGRUSLSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001409938903 1193484512 /nfs/dbraw/zinc/48/45/12/1193484512.db2.gz XUHMXWPVVVNGQK-WBVHZDCISA-N 2 0 329.488 2.273 10 0 EEAERP COc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC001482622103 1187445665 /nfs/dbraw/zinc/44/56/65/1187445665.db2.gz DUKTYTVLRRICFI-WMZOPIPTSA-N 2 0 347.503 2.316 10 0 EEAERP C[C@@H](CC[NH2+]Cc1noc2c1CCCC2)NC(=O)C[N@H+](C)C1CCC1 ZINC001482838484 1187757557 /nfs/dbraw/zinc/75/75/57/1187757557.db2.gz CDFBTJFLGVHRBK-AWEZNQCLSA-N 2 0 348.491 2.022 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482854854 1187776689 /nfs/dbraw/zinc/77/66/89/1187776689.db2.gz QZRGOPXSXICPPM-HWOWSKLDSA-N 2 0 341.459 2.411 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482885812 1187801539 /nfs/dbraw/zinc/80/15/39/1187801539.db2.gz QCHAFMWGZASEHQ-AWEZNQCLSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482892099 1187819377 /nfs/dbraw/zinc/81/93/77/1187819377.db2.gz WGFUXQHJWBMDMM-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)C[N@H+](C)C1CCC1 ZINC001482932142 1187841657 /nfs/dbraw/zinc/84/16/57/1187841657.db2.gz UYXAVLOOULWDPJ-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482967742 1187905783 /nfs/dbraw/zinc/90/57/83/1187905783.db2.gz XVKVDXGMWCYPOI-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1nc(CNC/C=C\CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cs1 ZINC001483022894 1188012858 /nfs/dbraw/zinc/01/28/58/1188012858.db2.gz LSMJWTZYOYIHGE-QCDWVSHVSA-N 2 0 348.516 2.230 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)ccc1C ZINC001691565031 1188265874 /nfs/dbraw/zinc/26/58/74/1188265874.db2.gz ORSAJLVMFKQXCZ-GOSISDBHSA-N 2 0 335.492 2.138 10 0 EEAERP Cc1conc1C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001272223673 1188378724 /nfs/dbraw/zinc/37/87/24/1188378724.db2.gz IJSCNHKZYNYYLV-AEFFLSMTSA-N 2 0 348.491 2.138 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001483082745 1188443992 /nfs/dbraw/zinc/44/39/92/1188443992.db2.gz VYVGECUJBUTDGJ-PXPVJAHISA-N 2 0 329.488 2.353 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)sc1C ZINC001272828859 1193566625 /nfs/dbraw/zinc/56/66/25/1193566625.db2.gz DTUJKOVWMYTOSP-LBPRGKRZSA-N 2 0 338.521 2.229 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC1CC(C[NH2+]Cc2cncs2)C1 ZINC001409301965 1188624181 /nfs/dbraw/zinc/62/41/81/1188624181.db2.gz VNWVGOAIHMLNRT-UHFFFAOYSA-N 2 0 336.505 2.004 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001409458130 1189706192 /nfs/dbraw/zinc/70/61/92/1189706192.db2.gz RTXIQMRPEIKMQE-UHFFFAOYSA-N 2 0 348.491 2.363 10 0 EEAERP CON1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000905760268 1189912792 /nfs/dbraw/zinc/91/27/92/1189912792.db2.gz HVVDAFRXMNMKOR-SFHVURJKSA-N 2 0 343.427 2.164 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCc1ccc(F)c(F)c1 ZINC001409529053 1189987307 /nfs/dbraw/zinc/98/73/07/1189987307.db2.gz VZJIHGPPESWTJN-DYVFJYSZSA-N 2 0 339.430 2.038 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001485960156 1193659560 /nfs/dbraw/zinc/65/95/60/1193659560.db2.gz ACKSIOZCEUTCHA-RDTXWAMCSA-N 2 0 348.491 2.363 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1Cl ZINC001483281339 1190306409 /nfs/dbraw/zinc/30/64/09/1190306409.db2.gz XPQWJYMLNBWOLG-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)Cn1ccnc1 ZINC001483426806 1190474511 /nfs/dbraw/zinc/47/45/11/1190474511.db2.gz GSSYAKDQPNWMMA-BHMZLHOFSA-N 2 0 326.444 2.423 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC001483492944 1190509995 /nfs/dbraw/zinc/50/99/95/1190509995.db2.gz NQWNNRZKYUSPJK-HNNXBMFYSA-N 2 0 344.459 2.108 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001483510022 1190524230 /nfs/dbraw/zinc/52/42/30/1190524230.db2.gz UDUNNVLCVPSCRV-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001272641509 1190948695 /nfs/dbraw/zinc/94/86/95/1190948695.db2.gz JBYXEWCPNXLJFK-KRWDZBQOSA-N 2 0 333.520 2.491 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001483912277 1191113747 /nfs/dbraw/zinc/11/37/47/1191113747.db2.gz OQBVMKILPKUNPZ-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1c(C(=O)N2CCC[C@H]2C[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001483936289 1191123967 /nfs/dbraw/zinc/12/39/67/1191123967.db2.gz HWIBAKUMGQNAAQ-INIZCTEOSA-N 2 0 344.459 2.262 10 0 EEAERP C[C@@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484121365 1191221313 /nfs/dbraw/zinc/22/13/13/1191221313.db2.gz ALQJPNUXCKDGSL-HNNXBMFYSA-N 2 0 346.302 2.229 10 0 EEAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001484185737 1191264267 /nfs/dbraw/zinc/26/42/67/1191264267.db2.gz VXKCCZOVFIXZGV-LAQIPUCWSA-N 2 0 337.508 2.082 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001484198295 1191269720 /nfs/dbraw/zinc/26/97/20/1191269720.db2.gz IDHXETBYJJYWCM-ZFWWWQNUSA-N 2 0 342.434 2.311 10 0 EEAERP C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348544 1191313337 /nfs/dbraw/zinc/31/33/37/1191313337.db2.gz PQLBRSVGQHJLDM-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484354232 1191315724 /nfs/dbraw/zinc/31/57/24/1191315724.db2.gz XDWJESUOSHJQFC-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484535137 1191399183 /nfs/dbraw/zinc/39/91/83/1191399183.db2.gz GRNUMKZHWIRMHN-UAGQMJEPSA-N 2 0 348.491 2.042 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001484549541 1191409403 /nfs/dbraw/zinc/40/94/03/1191409403.db2.gz KATRYZQUBBQKKC-JKSUJKDBSA-N 2 0 343.462 2.346 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCOc3ccccc3)CCC2)C1 ZINC001484662596 1191462589 /nfs/dbraw/zinc/46/25/89/1191462589.db2.gz MUGRYVIHWZBKJI-KRWDZBQOSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1cccc(OCC[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001484721644 1191491578 /nfs/dbraw/zinc/49/15/78/1191491578.db2.gz ATOMDCWUPGQCKD-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCOCC2CCC2)CC1)[NH+](C)C ZINC001484722358 1191492020 /nfs/dbraw/zinc/49/20/20/1191492020.db2.gz UXHSXOXBXIPMHC-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[N@H+](C)Cc1cncs1)C(=O)C[NH+](C)CC(C)(C)C ZINC001484759013 1191512036 /nfs/dbraw/zinc/51/20/36/1191512036.db2.gz OYAWKZXHTQFBAV-UHFFFAOYSA-N 2 0 340.537 2.401 10 0 EEAERP CCC1([NH2+]Cc2ncccc2C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819336 1191539538 /nfs/dbraw/zinc/53/95/38/1191539538.db2.gz MXVCJGLPVQPQGQ-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001484820423 1191539846 /nfs/dbraw/zinc/53/98/46/1191539846.db2.gz RQIGBKYCBSJVFQ-UHFFFAOYSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCF)CC1)[NH+]1CCCCCC1 ZINC001493839629 1191553947 /nfs/dbraw/zinc/55/39/47/1191553947.db2.gz JEDLVOPNNBXSBD-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)n1ccc(CN2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988060 1191604157 /nfs/dbraw/zinc/60/41/57/1191604157.db2.gz OLNNOOBZOFJIMH-DLBZAZTESA-N 2 0 349.523 2.273 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189283 1191685971 /nfs/dbraw/zinc/68/59/71/1191685971.db2.gz KYEONLXGACFFOA-HUUCEWRRSA-N 2 0 349.523 2.097 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485229250 1191698925 /nfs/dbraw/zinc/69/89/25/1191698925.db2.gz HXVTUOQYSKAYTF-CHWSQXEVSA-N 2 0 327.419 2.288 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486418089 1193948179 /nfs/dbraw/zinc/94/81/79/1193948179.db2.gz SBTKOPKIBDTRFI-HOTGVXAUSA-N 2 0 327.513 2.018 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019037 1194326310 /nfs/dbraw/zinc/32/63/10/1194326310.db2.gz RGLNQFLTQGFJRV-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052295 1194357225 /nfs/dbraw/zinc/35/72/25/1194357225.db2.gz KJMBZOSJBVKJSC-QAPCUYQASA-N 2 0 347.507 2.032 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cs1 ZINC001273053096 1194357535 /nfs/dbraw/zinc/35/75/35/1194357535.db2.gz TUUKYLCIWIKULM-ZDUSSCGKSA-N 2 0 338.521 2.168 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001691684602 1197495098 /nfs/dbraw/zinc/49/50/98/1197495098.db2.gz ATKNKYUSLYUODV-BPQIPLTHSA-N 2 0 337.508 2.009 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C)C[C@H]21)[NH+](C)C ZINC001410114772 1197554620 /nfs/dbraw/zinc/55/46/20/1197554620.db2.gz OWUDVQHESASXDS-OKYOBFRVSA-N 2 0 329.488 2.129 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cscn2)C1 ZINC001410236561 1197625035 /nfs/dbraw/zinc/62/50/35/1197625035.db2.gz LRPHTFOSJMJNKE-IIAWOOMASA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC(F)(F)F ZINC001410254294 1197638799 /nfs/dbraw/zinc/63/87/99/1197638799.db2.gz UPWPEXATPNEVHJ-LSDHHAIUSA-N 2 0 349.441 2.401 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1F ZINC001410387407 1197785121 /nfs/dbraw/zinc/78/51/21/1197785121.db2.gz FXXNVUWCJOZFKL-GUYCJALGSA-N 2 0 339.430 2.386 10 0 EEAERP COCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001410501652 1198057271 /nfs/dbraw/zinc/05/72/71/1198057271.db2.gz SZLCHMCBBOVPQY-SJLPKXTDSA-N 2 0 347.503 2.111 10 0 EEAERP CS(=O)(=O)CCCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157715 1198063130 /nfs/dbraw/zinc/06/31/30/1198063130.db2.gz PVUPHRRTSIHVDG-WBVHZDCISA-N 2 0 330.538 2.431 10 0 EEAERP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1)C1CCCC1 ZINC000872158415 1198064758 /nfs/dbraw/zinc/06/47/58/1198064758.db2.gz UZRZABANYGOYDM-APWZRJJASA-N 2 0 344.503 2.317 10 0 EEAERP C[NH+]1CCC(CNC(=S)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000865246330 1198139337 /nfs/dbraw/zinc/13/93/37/1198139337.db2.gz DIWAVEPAIBAQQX-UHFFFAOYSA-N 2 0 338.565 2.153 10 0 EEAERP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001273359397 1198308544 /nfs/dbraw/zinc/30/85/44/1198308544.db2.gz XBOBSOZSLPICJQ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001410909411 1198575473 /nfs/dbraw/zinc/57/54/73/1198575473.db2.gz NJJLMDAALUSQPF-QUCCMNQESA-N 2 0 344.503 2.343 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001411234768 1198945941 /nfs/dbraw/zinc/94/59/41/1198945941.db2.gz JMYOBUQJDOGQJT-XTXQVDMPSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000810323468 1199432952 /nfs/dbraw/zinc/43/29/52/1199432952.db2.gz KKXGOJSJCRZYBH-KRWDZBQOSA-N 2 0 331.395 2.418 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000810351969 1199464861 /nfs/dbraw/zinc/46/48/61/1199464861.db2.gz CEWGJQHRCFEUIE-YJBOKZPZSA-N 2 0 325.472 2.286 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000810651428 1199645466 /nfs/dbraw/zinc/64/54/66/1199645466.db2.gz MBLMNSWWGJYTEL-QFBILLFUSA-N 2 0 339.499 2.389 10 0 EEAERP CC(C)=C[C@H]1[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000870023800 1200413429 /nfs/dbraw/zinc/41/34/29/1200413429.db2.gz AOEYHTPAOHINKC-ZJPYXAASSA-N 2 0 335.536 2.423 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000870881566 1200928986 /nfs/dbraw/zinc/92/89/86/1200928986.db2.gz ZSVSJEFXNLRKLH-LWEYNCJUSA-N 2 0 341.499 2.199 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866259475 1201478216 /nfs/dbraw/zinc/47/82/16/1201478216.db2.gz MXCJBLQWFOBZSW-PKOBYXMFSA-N 2 0 335.467 2.321 10 0 EEAERP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709873 1201586104 /nfs/dbraw/zinc/58/61/04/1201586104.db2.gz MJNFBDMZCUDEJB-MPESAESLSA-N 2 0 335.835 2.268 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000868069365 1201737931 /nfs/dbraw/zinc/73/79/31/1201737931.db2.gz LXHPMQNFGBCQQM-UHFFFAOYSA-N 2 0 336.524 2.423 10 0 EEAERP Cc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(OCC[NH+](C)C)c1 ZINC000868126059 1201748600 /nfs/dbraw/zinc/74/86/00/1201748600.db2.gz PFVWNXJAHIVYKL-NVXWUHKLSA-N 2 0 346.475 2.294 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)CC(C)C ZINC000868352427 1201796436 /nfs/dbraw/zinc/79/64/36/1201796436.db2.gz DQMOZEVQHKZGSO-BZSNNMDCSA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001274608262 1205096027 /nfs/dbraw/zinc/09/60/27/1205096027.db2.gz DWFAJXFNSJBOLQ-CWDCEQMOSA-N 2 0 343.462 2.414 10 0 EEAERP CCN1CC[C@@H]1C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC001411650308 1205471850 /nfs/dbraw/zinc/47/18/50/1205471850.db2.gz ZVRSUWLHTAYJAD-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001276000918 1205628010 /nfs/dbraw/zinc/62/80/10/1205628010.db2.gz CEKMHDSTTCKRFP-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)CC[N@@H+]2CC[C@H](F)C2)c1 ZINC001412508856 1205744529 /nfs/dbraw/zinc/74/45/29/1205744529.db2.gz UFOBCVBBVYZARK-SFHVURJKSA-N 2 0 335.467 2.319 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925328280 1206097413 /nfs/dbraw/zinc/09/74/13/1206097413.db2.gz VUXWJPVEJGEJJB-NEWSRXKRSA-N 2 0 344.503 2.243 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1cccc(F)c1 ZINC000925505541 1206120722 /nfs/dbraw/zinc/12/07/22/1206120722.db2.gz SXUIZANOCPJGJJ-BHIYHBOVSA-N 2 0 336.451 2.323 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925512497 1206121292 /nfs/dbraw/zinc/12/12/92/1206121292.db2.gz DGXFMTJCULNEIK-ZGXWSNOMSA-N 2 0 343.515 2.254 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000925665869 1206141539 /nfs/dbraw/zinc/14/15/39/1206141539.db2.gz NAVDBUPTFSKDMS-IXDOHACOSA-N 2 0 345.487 2.162 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000925762798 1206151545 /nfs/dbraw/zinc/15/15/45/1206151545.db2.gz OIORPXBJNMYHKP-NHCYSSNCSA-N 2 0 333.295 2.395 10 0 EEAERP c1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925806160 1206155689 /nfs/dbraw/zinc/15/56/89/1206155689.db2.gz YBJSEQCCCPCNGB-SLFFLAALSA-N 2 0 340.471 2.162 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925811402 1206156425 /nfs/dbraw/zinc/15/64/25/1206156425.db2.gz ILSABMIULSDJGP-WKCHPHFGSA-N 3 0 342.531 2.195 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC12CC[NH2+]CC2 ZINC000925848876 1206160130 /nfs/dbraw/zinc/16/01/30/1206160130.db2.gz FBFXDZCGCZKHMS-DOTOQJQBSA-N 2 0 330.428 2.045 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC12CC[NH2+]CC2 ZINC000925854578 1206161239 /nfs/dbraw/zinc/16/12/39/1206161239.db2.gz RZBLIRAQNQVGMK-ABAIWWIYSA-N 2 0 336.382 2.227 10 0 EEAERP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858689 1206162200 /nfs/dbraw/zinc/16/22/00/1206162200.db2.gz ZHPHTBQLLHHTLQ-RHSMWYFYSA-N 2 0 334.435 2.422 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925901074 1206165391 /nfs/dbraw/zinc/16/53/91/1206165391.db2.gz YHIJXSCDPMBBRT-GOSISDBHSA-N 2 0 347.507 2.058 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925903141 1206165685 /nfs/dbraw/zinc/16/56/85/1206165685.db2.gz CMINUXUGXZULBS-AEFFLSMTSA-N 2 0 347.507 2.058 10 0 EEAERP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccns1 ZINC000925937101 1206171871 /nfs/dbraw/zinc/17/18/71/1206171871.db2.gz UMLVXFQGSRXMSI-ZBFHGGJFSA-N 2 0 346.500 2.083 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000926281544 1206210744 /nfs/dbraw/zinc/21/07/44/1206210744.db2.gz PDPFHCKIMNOFJT-HWPVKAJDSA-N 2 0 343.515 2.207 10 0 EEAERP C[C@@H]1C[C@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000930094807 1206534353 /nfs/dbraw/zinc/53/43/53/1206534353.db2.gz KDADPQZPLCEECH-RXBDLHDJSA-N 2 0 335.536 2.433 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOc2cc(C)ccc2C)C1)[NH+](C)C ZINC001490852022 1209758531 /nfs/dbraw/zinc/75/85/31/1209758531.db2.gz CNEDGPPPQRZTDQ-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1COc2ccccc2C1 ZINC000902803744 1238569277 /nfs/dbraw/zinc/56/92/77/1238569277.db2.gz XZYBXRFKZDKOMV-YTQUADARSA-N 2 0 343.515 2.384 10 0 EEAERP CCCn1cc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000903047369 1239614303 /nfs/dbraw/zinc/61/43/03/1239614303.db2.gz MJKXWKOQGJOFJV-HNNXBMFYSA-N 2 0 335.496 2.230 10 0 EEAERP C[C@@H](OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903497198 1240677244 /nfs/dbraw/zinc/67/72/44/1240677244.db2.gz PZBQTGRNZMZLGO-ZHALLVOQSA-N 2 0 347.503 2.187 10 0 EEAERP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497286 1240677904 /nfs/dbraw/zinc/67/79/04/1240677904.db2.gz TYBJPDJJYOCFQT-VNHYZAJKSA-N 2 0 339.430 2.401 10 0 EEAERP COc1cc(NC(=O)C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000903915010 1242465592 /nfs/dbraw/zinc/46/55/92/1242465592.db2.gz XDDWAQBHBFZDIG-GOOCMWNKSA-N 2 0 347.459 2.105 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000903931586 1242550169 /nfs/dbraw/zinc/55/01/69/1242550169.db2.gz FSSWLDDREPLONC-IAGOWNOFSA-N 2 0 340.475 2.109 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000903947613 1242660065 /nfs/dbraw/zinc/66/00/65/1242660065.db2.gz CCNQNHFHOMZERR-PKOBYXMFSA-N 2 0 348.535 2.375 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935045 1248130475 /nfs/dbraw/zinc/13/04/75/1248130475.db2.gz SHLPQAVLIACMLL-UKRRQHHQSA-N 2 0 338.883 2.424 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001490925004 1258486370 /nfs/dbraw/zinc/48/63/70/1258486370.db2.gz WKBFMXTVPWDISR-DCGLDWPTSA-N 2 0 337.414 2.141 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000851645944 1277699609 /nfs/dbraw/zinc/69/96/09/1277699609.db2.gz PESNHZXATKJBBZ-GOSISDBHSA-N 2 0 329.444 2.160 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CCC2)CC1 ZINC001489083293 1290363926 /nfs/dbraw/zinc/36/39/26/1290363926.db2.gz CLLHCQBHEKYJBD-RDGPPVDQSA-N 2 0 345.531 2.297 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001489240381 1290490261 /nfs/dbraw/zinc/49/02/61/1290490261.db2.gz MKAFKEKFYVBLIC-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CCOC(C)C)CC2)CC[N@@H+]1C ZINC001490407395 1291318857 /nfs/dbraw/zinc/31/88/57/1291318857.db2.gz MLZJXLKFAXLJLM-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490549653 1291423157 /nfs/dbraw/zinc/42/31/57/1291423157.db2.gz ANARLLAAKUZTOE-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001490595571 1291497260 /nfs/dbraw/zinc/49/72/60/1291497260.db2.gz OEBDLSHPISRWSN-IAGOWNOFSA-N 2 0 339.499 2.437 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](C/C=C\Cl)CC2 ZINC001490605483 1291516003 /nfs/dbraw/zinc/51/60/03/1291516003.db2.gz FQXOMWBULZSUMH-HMZQOCAUSA-N 2 0 327.900 2.442 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC001490618143 1291527961 /nfs/dbraw/zinc/52/79/61/1291527961.db2.gz CXLPOSNABBQJQD-WMZOPIPTSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710822 1291597473 /nfs/dbraw/zinc/59/74/73/1291597473.db2.gz VCCIHAUGHHKQPG-WMLDXEAASA-N 2 0 331.451 2.043 10 0 EEAERP CN1c2ccc(CN3CCO[C@H](CCC[NH+](C)C)C3)cc2CCC1=O ZINC000852760496 1292189731 /nfs/dbraw/zinc/18/97/31/1292189731.db2.gz GTHYZDMTKQHURB-GOSISDBHSA-N 2 0 345.487 2.138 10 0 EEAERP CC[NH+](CC)CCOc1ccc(-c2noc(CC3([NH3+])CC3)n2)cc1 ZINC000854145206 1292646930 /nfs/dbraw/zinc/64/69/30/1292646930.db2.gz PARZEVCXJUOEAN-UHFFFAOYSA-N 2 0 330.432 2.491 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3COC(C)(C)O3)C2)ccn1 ZINC000856584356 1293571366 /nfs/dbraw/zinc/57/13/66/1293571366.db2.gz IJCBNHJJSPWIPU-ZWKOTPCHSA-N 2 0 349.475 2.138 10 0 EEAERP CC1(C)[C@H](O)CC[NH+]1CC[Si](C)(C)CC[N@H+]1CC[C@H](O)C1(C)C ZINC000859311376 1294388614 /nfs/dbraw/zinc/38/86/14/1294388614.db2.gz XVQXOMLKEXGNME-IYBDPMFKSA-N 2 0 342.600 2.385 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001276987564 1300682292 /nfs/dbraw/zinc/68/22/92/1300682292.db2.gz GDCOJSCJDMMSNB-MQMHXKEQSA-N 2 0 327.469 2.267 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001277771430 1304380204 /nfs/dbraw/zinc/38/02/04/1304380204.db2.gz NSBULSXYZCFQGH-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001276403957 1314997523 /nfs/dbraw/zinc/99/75/23/1314997523.db2.gz CFRGZACQUBFANS-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP O=C(NC1CCC([NH+]2CCCCC2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841856454 1315624572 /nfs/dbraw/zinc/62/45/72/1315624572.db2.gz WLFBYJPTGLBSTR-ZTOOSOLZSA-N 2 0 334.508 2.319 10 0 EEAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001278571395 1317258381 /nfs/dbraw/zinc/25/83/81/1317258381.db2.gz LLRUWECDHXECGJ-JKSUJKDBSA-N 2 0 325.472 2.097 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001491567527 1322498801 /nfs/dbraw/zinc/49/88/01/1322498801.db2.gz WIKYHVPQQOUKKK-AWEZNQCLSA-N 2 0 328.460 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccnc1C ZINC001264993411 1322842417 /nfs/dbraw/zinc/84/24/17/1322842417.db2.gz LOASYHNGZIDBRC-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CCOCC)CC2)C1 ZINC001265196083 1322979471 /nfs/dbraw/zinc/97/94/71/1322979471.db2.gz XIEBMWMYOOPDMC-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001265310133 1323059462 /nfs/dbraw/zinc/05/94/62/1323059462.db2.gz HVJXDSSSEALCFT-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001265630147 1323280456 /nfs/dbraw/zinc/28/04/56/1323280456.db2.gz JYSVJOMKVDWAPT-SFHVURJKSA-N 2 0 333.520 2.491 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCCC[C@H]1C[NH2+]CCCF ZINC001265678047 1323316031 /nfs/dbraw/zinc/31/60/31/1323316031.db2.gz UMIFARMXSRUQHZ-INIZCTEOSA-N 2 0 345.422 2.211 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265850601 1323424532 /nfs/dbraw/zinc/42/45/32/1323424532.db2.gz HXJOKYNSCPNNBJ-QGZVFWFLSA-N 2 0 329.488 2.118 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001265953628 1323515661 /nfs/dbraw/zinc/51/56/61/1323515661.db2.gz CSWWZFIIWVMUJK-SFHVURJKSA-N 2 0 343.515 2.455 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001266008884 1323561715 /nfs/dbraw/zinc/56/17/15/1323561715.db2.gz KSHRLUKGXOGXDR-GTEGOMCXSA-N 2 0 327.900 2.299 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001266074979 1323630968 /nfs/dbraw/zinc/63/09/68/1323630968.db2.gz HJRAMBYRFPXSTO-CVEARBPZSA-N 2 0 325.472 2.239 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ocnc1C ZINC001266111862 1323677930 /nfs/dbraw/zinc/67/79/30/1323677930.db2.gz BNXKMBAOVXRYQJ-HUUCEWRRSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)OCCC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266190348 1323754733 /nfs/dbraw/zinc/75/47/33/1323754733.db2.gz ULFXJZUHXRMNAP-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001266197824 1323759589 /nfs/dbraw/zinc/75/95/89/1323759589.db2.gz OWKXPPVVOYLQDV-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001266217442 1323786854 /nfs/dbraw/zinc/78/68/54/1323786854.db2.gz ZYPGIFYOBKCBGG-RTBURBONSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1cc(C[NH+]2CCC3(CN(C(=O)CCCC[NH+](C)C)C3)CC2)on1 ZINC001280394176 1324197285 /nfs/dbraw/zinc/19/72/85/1324197285.db2.gz CYEFXYSALPHQFZ-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001281476075 1325147516 /nfs/dbraw/zinc/14/75/16/1325147516.db2.gz PAHSZRZMWJXCNS-PKOBYXMFSA-N 2 0 331.504 2.396 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001281941009 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JQSXNXBBVAPWEW-YJBOKZPZSA-N 2 0 332.492 2.247 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491682308 1330204354 /nfs/dbraw/zinc/20/43/54/1330204354.db2.gz KPXAZVQIRZUOFB-GFCCVEGCSA-N 2 0 329.847 2.414 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCc2cccs2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001491851318 1330274313 /nfs/dbraw/zinc/27/43/13/1330274313.db2.gz JZKVUVUTGJJGLM-APWZRJJASA-N 2 0 347.528 2.215 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887453 1330290037 /nfs/dbraw/zinc/29/00/37/1330290037.db2.gz YHFDSHGSBSBMIG-QZTJIDSGSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1N(C)C ZINC001492027427 1330452833 /nfs/dbraw/zinc/45/28/33/1330452833.db2.gz ULYXKAFJFHUINJ-JFIYKMOQSA-N 2 0 346.519 2.077 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001492177514 1331056673 /nfs/dbraw/zinc/05/66/73/1331056673.db2.gz HFFIVEKYVRRJFL-MOPGFXCFSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1cnccn1)[NH+]1CCCCCC1 ZINC001316853509 1331469245 /nfs/dbraw/zinc/46/92/45/1331469245.db2.gz GLGPKSJASWXVOQ-IRXDYDNUSA-N 2 0 347.507 2.240 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2cc(C3CC3)no2)CC1 ZINC001316856831 1331524921 /nfs/dbraw/zinc/52/49/21/1331524921.db2.gz XYIDROHURDDNAG-UHFFFAOYSA-N 2 0 348.491 2.222 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001316787298 1331894413 /nfs/dbraw/zinc/89/44/13/1331894413.db2.gz AKWYLUATAQYWJX-APWZRJJASA-N 2 0 347.503 2.020 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001316804580 1331901992 /nfs/dbraw/zinc/90/19/92/1331901992.db2.gz RLZGJJFBVQEYEV-IRXDYDNUSA-N 2 0 336.480 2.184 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001316942732 1332005753 /nfs/dbraw/zinc/00/57/53/1332005753.db2.gz CRECPQHFOJLSOI-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001317034329 1332052064 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ZINC001319486283 1332710397 /nfs/dbraw/zinc/71/03/97/1332710397.db2.gz MTMBDHKCFFXSLM-ZBFHGGJFSA-N 2 0 344.459 2.119 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCc1ccsc1 ZINC001319697524 1332745145 /nfs/dbraw/zinc/74/51/45/1332745145.db2.gz ULRZSVLRVHIQEW-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001319775175 1332764713 /nfs/dbraw/zinc/76/47/13/1332764713.db2.gz RDRUKSLJGGENNJ-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)co1 ZINC001319787063 1332767529 /nfs/dbraw/zinc/76/75/29/1332767529.db2.gz DCZLCVWXONKSOQ-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CCN(CC[NH2+]CCOc1ccc(C)cc1)C(=O)C1CC[NH+](C)CC1 ZINC001320829355 1332961136 /nfs/dbraw/zinc/96/11/36/1332961136.db2.gz DRUBTZOTVPWVTC-UHFFFAOYSA-N 2 0 347.503 2.154 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001321189687 1333041066 /nfs/dbraw/zinc/04/10/66/1333041066.db2.gz 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CC[C@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001325690155 1333941229 /nfs/dbraw/zinc/94/12/29/1333941229.db2.gz RUFXEJNWZAHXIU-ZWKOTPCHSA-N 2 0 335.467 2.447 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326410788 1334087707 /nfs/dbraw/zinc/08/77/07/1334087707.db2.gz CRTFGORESLGIMO-QZTJIDSGSA-N 2 0 347.478 2.496 10 0 EEAERP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001327646077 1334327540 /nfs/dbraw/zinc/32/75/40/1334327540.db2.gz UGHAMEYZNINNOR-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001328038368 1334382958 /nfs/dbraw/zinc/38/29/58/1334382958.db2.gz GIPZPHKMAYHBHI-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001330159536 1334788358 /nfs/dbraw/zinc/78/83/58/1334788358.db2.gz FRWRZWCYHCIKMX-IEBWSBKVSA-N 2 0 339.524 2.210 10 0 EEAERP CCC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001330330892 1334824323 /nfs/dbraw/zinc/82/43/23/1334824323.db2.gz XOZYFAYXBBXJDW-QRCQGXBMSA-N 2 0 333.520 2.369 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001330963303 1334936156 /nfs/dbraw/zinc/93/61/56/1334936156.db2.gz USHLPVMEUQHJHS-AWEZNQCLSA-N 2 0 348.491 2.016 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001331267272 1334987297 /nfs/dbraw/zinc/98/72/97/1334987297.db2.gz DYAAYSGDRXKLAU-RTBURBONSA-N 2 0 329.488 2.150 10 0 EEAERP CCCCC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001332427450 1335822610 /nfs/dbraw/zinc/82/26/10/1335822610.db2.gz KCKILQDVUCGPPL-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1)OC ZINC001333407032 1336037780 /nfs/dbraw/zinc/03/77/80/1336037780.db2.gz SSMMSGKZUMYONN-QGZVFWFLSA-N 2 0 339.524 2.138 10 0 EEAERP CC(C)[C@H](C(=O)NCC1=CC[N@H+](CCCF)CC1)[NH+]1CCCC1 ZINC001333457671 1336051332 /nfs/dbraw/zinc/05/13/32/1336051332.db2.gz KMUOWLOVHCKWJR-QGZVFWFLSA-N 2 0 325.472 2.215 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]CCc2cn[nH]c2)c2c1OC(F)(F)O2 ZINC001353592146 1338297368 /nfs/dbraw/zinc/29/73/68/1338297368.db2.gz BGKULEGSBJDAAL-UHFFFAOYSA-N 2 0 338.358 2.125 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849094971 1338837228 /nfs/dbraw/zinc/83/72/28/1338837228.db2.gz JKXHVIYUUJXBSD-MRXNPFEDSA-N 2 0 348.491 2.152 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001668614169 1355973049 /nfs/dbraw/zinc/97/30/49/1355973049.db2.gz MLMPAYUGNPNMEE-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(CC[NH2+]CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001670249734 1356304473 /nfs/dbraw/zinc/30/44/73/1356304473.db2.gz OJOUTBBQUPSEDV-SFHVURJKSA-N 2 0 331.504 2.317 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001566956307 1342660360 /nfs/dbraw/zinc/66/03/60/1342660360.db2.gz UXWVJSOCWDURAL-QZTJIDSGSA-N 2 0 348.491 2.155 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567166328 1342703032 /nfs/dbraw/zinc/70/30/32/1342703032.db2.gz BQVBOZSKXQXRTQ-IRXDYDNUSA-N 2 0 339.524 2.303 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(F)c1F ZINC001567504816 1342774255 /nfs/dbraw/zinc/77/42/55/1342774255.db2.gz XSIQYJHPRJMZEC-MRXNPFEDSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001569522555 1342892258 /nfs/dbraw/zinc/89/22/58/1342892258.db2.gz NEXUGXIGFMOIMB-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001569687137 1342923815 /nfs/dbraw/zinc/92/38/15/1342923815.db2.gz ODWCWMXYBPSPCX-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCCCCF ZINC001569846708 1342957411 /nfs/dbraw/zinc/95/74/11/1342957411.db2.gz DMBXYWRBUFHXFL-DOTOQJQBSA-N 2 0 327.488 2.152 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC[NH2+]CCF)Cc1ccccc1 ZINC001569871117 1342963378 /nfs/dbraw/zinc/96/33/78/1342963378.db2.gz WOVGZWQXSIPNMF-IRXDYDNUSA-N 2 0 335.467 2.447 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CCOC(C)C)CC1)[NH+](C)C ZINC001570263077 1343044355 /nfs/dbraw/zinc/04/43/55/1343044355.db2.gz ADMQEJPJPHSPAV-MRXNPFEDSA-N 2 0 327.513 2.112 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001677051937 1357271089 /nfs/dbraw/zinc/27/10/89/1357271089.db2.gz JDFDQUBUXZMTJQ-HUUCEWRRSA-N 2 0 347.425 2.275 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CC2CCOCC2)CC1 ZINC001677575528 1357360864 /nfs/dbraw/zinc/36/08/64/1357360864.db2.gz WYXKJCXZPGYROW-LJQANCHMSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC001677617067 1357373925 /nfs/dbraw/zinc/37/39/25/1357373925.db2.gz YAJPOCCKUBOKHY-PKOBYXMFSA-N 2 0 349.519 2.034 10 0 EEAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001677643713 1357382010 /nfs/dbraw/zinc/38/20/10/1357382010.db2.gz XFUDDKQVDZRYLF-QGZVFWFLSA-N 2 0 333.451 2.283 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001649442766 1353507784 /nfs/dbraw/zinc/50/77/84/1353507784.db2.gz NGNXFPUMYGCUOE-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001650003312 1353684224 /nfs/dbraw/zinc/68/42/24/1353684224.db2.gz PGMOEJSQBKKFEQ-GOSISDBHSA-N 2 0 340.471 2.219 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC001660855466 1354551589 /nfs/dbraw/zinc/55/15/89/1354551589.db2.gz JKRIDFYQUUYYBM-CQSZACIVSA-N 2 0 335.414 2.395 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001661798587 1354698856 /nfs/dbraw/zinc/69/88/56/1354698856.db2.gz PZHSUSDPSLQWHR-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001661842607 1354707031 /nfs/dbraw/zinc/70/70/31/1354707031.db2.gz QOPIFJQEZHJDSB-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001661934204 1354725355 /nfs/dbraw/zinc/72/53/55/1354725355.db2.gz LJWHURVSADHKKJ-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCF)C1 ZINC001662018439 1354742752 /nfs/dbraw/zinc/74/27/52/1354742752.db2.gz STYDGRVQHSLXFN-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001662723079 1354832035 /nfs/dbraw/zinc/83/20/35/1354832035.db2.gz QFZFDSCIQKQWCY-LJQANCHMSA-N 2 0 329.488 2.153 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CC2CC2)cc1 ZINC001662809459 1354851740 /nfs/dbraw/zinc/85/17/40/1354851740.db2.gz NOTOKYACANGRJJ-IBGZPJMESA-N 2 0 329.488 2.329 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCOC)CC1 ZINC001664467481 1355171603 /nfs/dbraw/zinc/17/16/03/1355171603.db2.gz MKAAOZCFWATZEE-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001666092914 1355448315 /nfs/dbraw/zinc/44/83/15/1355448315.db2.gz KMOMHKPZAIXYHR-MJGOQNOKSA-N 2 0 344.503 2.203 10 0 EEAERP CC(C)(C(=O)N1CCC(CC[NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001666231552 1355490578 /nfs/dbraw/zinc/49/05/78/1355490578.db2.gz PBZSNRGPMIHHRD-UHFFFAOYSA-N 2 0 327.488 2.439 10 0 EEAERP COCCCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001666938290 1355618270 /nfs/dbraw/zinc/61/82/70/1355618270.db2.gz JZZVOOJIHLIMNP-CQSZACIVSA-N 2 0 332.448 2.119 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001666993015 1355629449 /nfs/dbraw/zinc/62/94/49/1355629449.db2.gz XWCHVCRQJUGURC-ROUUACIJSA-N 2 0 331.504 2.316 10 0 EEAERP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001667094903 1355647699 /nfs/dbraw/zinc/64/76/99/1355647699.db2.gz BJZBZVPUSBVGAO-SBJJXXPASA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCOC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001668153257 1355886335 /nfs/dbraw/zinc/88/63/35/1355886335.db2.gz SJXKHPGTRXWLJO-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](CC[NH2+]Cc1sccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001668309770 1355920716 /nfs/dbraw/zinc/92/07/16/1355920716.db2.gz MEBCUNFGQWQTFR-LBPRGKRZSA-N 2 0 329.897 2.482 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001668828223 1356015069 /nfs/dbraw/zinc/01/50/69/1356015069.db2.gz OGTGIQCIHJFAOS-PYKQWIPUSA-N 2 0 349.425 2.069 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973401 1356058922 /nfs/dbraw/zinc/05/89/22/1356058922.db2.gz QFZYAXHEUZBSBE-VOTSOKGWSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669039254 1356074306 /nfs/dbraw/zinc/07/43/06/1356074306.db2.gz LHMHINSQBNMGLZ-XYBNCVKDSA-N 2 0 343.462 2.416 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@H]1CCCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001669140024 1356104906 /nfs/dbraw/zinc/10/49/06/1356104906.db2.gz VMOYAAGKODLKKT-RTLBZRNLSA-N 2 0 339.483 2.422 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001669189318 1356120597 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348.491 2.220 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]CCOCc2ccccc2)CC1 ZINC001673982003 1356767382 /nfs/dbraw/zinc/76/73/82/1356767382.db2.gz IAJAGXYTXNUQSV-UHFFFAOYSA-N 2 0 347.503 2.126 10 0 EEAERP CCC[NH2+]CCCOC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001675153771 1356940161 /nfs/dbraw/zinc/94/01/61/1356940161.db2.gz RUVFIAYZRXQEJY-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001675258523 1356954262 /nfs/dbraw/zinc/95/42/62/1356954262.db2.gz XNRBESVHJBIGGS-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CCCCCF)C1 ZINC001675354281 1356968910 /nfs/dbraw/zinc/96/89/10/1356968910.db2.gz NJCFVIWUNCZLKI-INIZCTEOSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CCCCCF)C1 ZINC001675354282 1356969076 /nfs/dbraw/zinc/96/90/76/1356969076.db2.gz NJCFVIWUNCZLKI-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001698765716 1405050802 /nfs/dbraw/zinc/05/08/02/1405050802.db2.gz PNTIVPDZBPDMRE-KRWDZBQOSA-N 2 0 331.504 2.221 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001698915201 1405157034 /nfs/dbraw/zinc/15/70/34/1405157034.db2.gz WYAOEEUNEFVPBD-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114559 1405269869 /nfs/dbraw/zinc/26/98/69/1405269869.db2.gz HZKFLHRQLCWUBD-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)n1 ZINC001699136118 1405286150 /nfs/dbraw/zinc/28/61/50/1405286150.db2.gz ROCCXPASAKBIHB-GOEBONIOSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001699367523 1405341190 /nfs/dbraw/zinc/34/11/90/1405341190.db2.gz NGYLQGCKNYAQQL-IEBWSBKVSA-N 2 0 347.503 2.261 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC(F)(F)C1 ZINC001699554031 1405392899 /nfs/dbraw/zinc/39/28/99/1405392899.db2.gz IYIIUPDIUVHZHJ-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000907934856 784993293 /nfs/dbraw/zinc/99/32/93/784993293.db2.gz LQPAXCHIDIXQAB-QGZVFWFLSA-N 2 0 346.475 2.113 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+]CC2(O)CCCCC2)c2ccccc2)CC1 ZINC000819011164 785363139 /nfs/dbraw/zinc/36/31/39/785363139.db2.gz RIBUBPCKIQPGHJ-IBGZPJMESA-N 2 0 331.504 2.260 10 0 EEAERP C[NH+](C)CCCC(C)(C)NC(=O)CCC(C)(C)[NH+]1CCOCC1 ZINC000585121741 786526505 /nfs/dbraw/zinc/52/65/05/786526505.db2.gz XPXWCAJIBDMYLO-UHFFFAOYSA-N 2 0 327.513 2.114 10 0 EEAERP C[NH+]1CCC2(CC1)C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CCO2 ZINC000843431377 788823177 /nfs/dbraw/zinc/82/31/77/788823177.db2.gz DRJPIMIIRXQZPG-UHFFFAOYSA-N 2 0 341.496 2.086 10 0 EEAERP Cn1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C2CCCC2)n1 ZINC000921521904 788829822 /nfs/dbraw/zinc/82/98/22/788829822.db2.gz NYBWZMIMEBOOOM-UHFFFAOYSA-N 2 0 333.524 2.193 10 0 EEAERP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000844167195 788883062 /nfs/dbraw/zinc/88/30/62/788883062.db2.gz UYEXKYXOGBKXHV-LJQANCHMSA-N 2 0 345.487 2.057 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000844174545 788886691 /nfs/dbraw/zinc/88/66/91/788886691.db2.gz KKWNIDPNQXUVMJ-KFWWJZLASA-N 2 0 336.867 2.176 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1OC(F)F ZINC000923305654 789347793 /nfs/dbraw/zinc/34/77/93/789347793.db2.gz ZFODJSRXTHLIBB-CYBMUJFWSA-N 2 0 342.386 2.107 10 0 EEAERP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385596 789480355 /nfs/dbraw/zinc/48/03/55/789480355.db2.gz BBPKZINPBMXKMN-OALUTQOASA-N 2 0 332.488 2.446 10 0 EEAERP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000713350411 794562753 /nfs/dbraw/zinc/56/27/53/794562753.db2.gz VMIZEBULTABWDB-LXZJYRNTSA-N 2 0 327.472 2.237 10 0 EEAERP C[C@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713432237 794597911 /nfs/dbraw/zinc/59/79/11/794597911.db2.gz WTTGELQUGLRZBF-NFBUACBFSA-N 2 0 327.472 2.237 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000913948680 794643024 /nfs/dbraw/zinc/64/30/24/794643024.db2.gz PIFCYQQEULJGEE-CRAIPNDOSA-N 2 0 332.492 2.420 10 0 EEAERP CN(CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)CC[NH+](C)C ZINC000922273997 800191849 /nfs/dbraw/zinc/19/18/49/800191849.db2.gz QBNMKDQFZGXEIG-MOPGFXCFSA-N 2 0 325.541 2.445 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566071232 1125544617 /nfs/dbraw/zinc/54/46/17/1125544617.db2.gz MNUSPKMVRJWXOO-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001566464932 1125625115 /nfs/dbraw/zinc/62/51/15/1125625115.db2.gz BPTQEVLMDSWCTD-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001436470718 1087932638 /nfs/dbraw/zinc/93/26/38/1087932638.db2.gz JIWUSWUWFRQOMK-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001436474318 1087941199 /nfs/dbraw/zinc/94/11/99/1087941199.db2.gz GKNRRMBENGGCRD-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1)[NH+](C)C ZINC001437029690 1088841827 /nfs/dbraw/zinc/84/18/27/1088841827.db2.gz BFLFKTMTINRJPA-IPMKNSEASA-N 2 0 347.503 2.031 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCF)CC1)[NH+]1CCCCC1 ZINC001437085523 1089028513 /nfs/dbraw/zinc/02/85/13/1089028513.db2.gz AFMRYKKSQGJVSD-JCYILVPMSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001437085294 1089028835 /nfs/dbraw/zinc/02/88/35/1089028835.db2.gz BNACGSKYZMSYKK-UHFFFAOYSA-N 2 0 336.480 2.267 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437262817 1089407940 /nfs/dbraw/zinc/40/79/40/1089407940.db2.gz GMDWTYLJDKLBHW-SJLPKXTDSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001437369294 1089607670 /nfs/dbraw/zinc/60/76/70/1089607670.db2.gz AINPSNMMEOVSEF-HOCLYGCPSA-N 2 0 348.491 2.124 10 0 EEAERP CCc1cccc(C[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001437454800 1089765402 /nfs/dbraw/zinc/76/54/02/1089765402.db2.gz COHBDNQULHXTFV-IBGZPJMESA-N 2 0 329.488 2.139 10 0 EEAERP COc1cc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1C ZINC001437512313 1089915369 /nfs/dbraw/zinc/91/53/69/1089915369.db2.gz UAOVJUTZRRBJIF-WMZOPIPTSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437543475 1090001243 /nfs/dbraw/zinc/00/12/43/1090001243.db2.gz XGQHSWQKMRZPFB-INIZCTEOSA-N 2 0 341.499 2.380 10 0 EEAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cnccc2C)C1)[NH+](C)C ZINC001437951449 1090548552 /nfs/dbraw/zinc/54/85/52/1090548552.db2.gz XCBWWRVYCDHVLB-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438366907 1090842719 /nfs/dbraw/zinc/84/27/19/1090842719.db2.gz LRRSEPMGEXUYIW-RBUKOAKNSA-N 2 0 331.504 2.228 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001438430524 1090929330 /nfs/dbraw/zinc/92/93/30/1090929330.db2.gz AWKNURIDKOEPLJ-KSSFIOAISA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438648180 1091132559 /nfs/dbraw/zinc/13/25/59/1091132559.db2.gz FWIFENNQRJIIQW-ZIAGYGMSSA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001438703871 1091211633 /nfs/dbraw/zinc/21/16/33/1091211633.db2.gz AZCMETBFPOVKLB-CYBMUJFWSA-N 2 0 327.419 2.243 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001438722621 1091249532 /nfs/dbraw/zinc/24/95/32/1091249532.db2.gz HJBARHZTYRAXLO-ROUUACIJSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438727342 1091261234 /nfs/dbraw/zinc/26/12/34/1091261234.db2.gz FRAMTZXKIXXZFX-BHIYHBOVSA-N 2 0 346.519 2.351 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001445660875 1091447909 /nfs/dbraw/zinc/44/79/09/1091447909.db2.gz WQJVKQJQPQNELZ-DLBZAZTESA-N 2 0 347.507 2.206 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)C)s1 ZINC001438832208 1091453319 /nfs/dbraw/zinc/45/33/19/1091453319.db2.gz XUPDWNUZUPXVHV-HIFRSBDPSA-N 2 0 338.521 2.024 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2Cc2nc(C)oc2C)C1 ZINC001438944650 1091630525 /nfs/dbraw/zinc/63/05/25/1091630525.db2.gz CJAHEUYUAWBLQV-WMZOPIPTSA-N 2 0 348.491 2.056 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cncc(C)c1)C1CC1 ZINC001445945948 1091884417 /nfs/dbraw/zinc/88/44/17/1091884417.db2.gz BPPDXRQVNHVKTJ-RBUKOAKNSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC001445981108 1091942723 /nfs/dbraw/zinc/94/27/23/1091942723.db2.gz NUTBOUKQRBNABI-APWZRJJASA-N 2 0 329.488 2.321 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001446156246 1092203356 /nfs/dbraw/zinc/20/33/56/1092203356.db2.gz IWCSKYPCZYOCSL-IRXDYDNUSA-N 2 0 349.425 2.285 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1)C1CCC1 ZINC001446185192 1092260561 /nfs/dbraw/zinc/26/05/61/1092260561.db2.gz VQSJCXMDUOXBBS-GOSISDBHSA-N 2 0 327.472 2.397 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001439530578 1092385550 /nfs/dbraw/zinc/38/55/50/1092385550.db2.gz BARXAKGVDBECEV-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276866 1092427434 /nfs/dbraw/zinc/42/74/34/1092427434.db2.gz NBTTUUWNQDYJCO-UONOGXRCSA-N 2 0 348.491 2.223 10 0 EEAERP O=C(NCC1([NH2+]CC2CC3(CCC3)C2)CC1)C12CCC[NH+]1CCC2 ZINC001439627694 1092543359 /nfs/dbraw/zinc/54/33/59/1092543359.db2.gz KPXHYLYFLUIBSU-UHFFFAOYSA-N 2 0 331.504 2.434 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001439635408 1092555571 /nfs/dbraw/zinc/55/55/71/1092555571.db2.gz IWCSKYPCZYOCSL-DLBZAZTESA-N 2 0 349.425 2.285 10 0 EEAERP CCc1noc(C)c1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001439638818 1092560906 /nfs/dbraw/zinc/56/09/06/1092560906.db2.gz IJJHJLHMVWSBIU-ZFWWWQNUSA-N 2 0 348.491 2.014 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC001439644088 1092566911 /nfs/dbraw/zinc/56/69/11/1092566911.db2.gz YIXHKZDUEDJVJD-GFCCVEGCSA-N 2 0 325.403 2.216 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cc1C ZINC001439662929 1092598419 /nfs/dbraw/zinc/59/84/19/1092598419.db2.gz UPLKIFWZWKTVOB-SFHVURJKSA-N 2 0 329.488 2.384 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001439666165 1092603926 /nfs/dbraw/zinc/60/39/26/1092603926.db2.gz BAIKATPJCXMLBA-MRXNPFEDSA-N 2 0 349.425 2.286 10 0 EEAERP CCCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001439801043 1092757385 /nfs/dbraw/zinc/75/73/85/1092757385.db2.gz AWPLVHDUSCODPT-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cs1 ZINC001439849205 1092863077 /nfs/dbraw/zinc/86/30/77/1092863077.db2.gz JYDKCPXLTQHDQI-KBXCAEBGSA-N 2 0 335.517 2.479 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cnc(C)s2)C1 ZINC001439899295 1092960343 /nfs/dbraw/zinc/96/03/43/1092960343.db2.gz CHPRZNZSJLNBJN-KRWDZBQOSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c(C)n1 ZINC001440132419 1093197647 /nfs/dbraw/zinc/19/76/47/1093197647.db2.gz JOWJGCNVVHSKFT-BEFAXECRSA-N 2 0 346.519 2.224 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001440153820 1093214356 /nfs/dbraw/zinc/21/43/56/1093214356.db2.gz ZKVZQYHVGRMEMP-OAGGEKHMSA-N 2 0 343.462 2.152 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCc2cccc3c2CC[NH+](CCCF)C3)C1 ZINC001440262603 1093366938 /nfs/dbraw/zinc/36/69/38/1093366938.db2.gz RBDCRXJHHIFGPB-MRXNPFEDSA-N 2 0 347.478 2.362 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440357398 1093515319 /nfs/dbraw/zinc/51/53/19/1093515319.db2.gz SEUCSYFCIHLYQS-STQMWFEESA-N 2 0 335.414 2.440 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001440406843 1093597007 /nfs/dbraw/zinc/59/70/07/1093597007.db2.gz MXDWCZSUOIQTAR-FUHWJXTLSA-N 2 0 333.451 2.296 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccns1 ZINC001440408120 1093600782 /nfs/dbraw/zinc/60/07/82/1093600782.db2.gz AULGCFVYCWQQPK-CABCVRRESA-N 2 0 338.521 2.200 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001448559418 1093604418 /nfs/dbraw/zinc/60/44/18/1093604418.db2.gz QQWZUZIDZCAIAF-QGZVFWFLSA-N 2 0 348.491 2.232 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001448613775 1093681078 /nfs/dbraw/zinc/68/10/78/1093681078.db2.gz DKSMSDOMQSSSKY-GDBMZVCRSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001448723481 1093794610 /nfs/dbraw/zinc/79/46/10/1093794610.db2.gz FYASARBASMEKDX-RHSMWYFYSA-N 2 0 336.480 2.182 10 0 EEAERP CCn1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001448724961 1093796954 /nfs/dbraw/zinc/79/69/54/1093796954.db2.gz GTRNENGNJAGBQY-IAGOWNOFSA-N 2 0 349.523 2.104 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1Cc2ccccc2C[N@@H+]1CC1CC1 ZINC001440534653 1093798585 /nfs/dbraw/zinc/79/85/85/1093798585.db2.gz HFCPNDYGSHHYCU-IBGZPJMESA-N 2 0 327.472 2.035 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nsc2ccccc12 ZINC001440587930 1093853311 /nfs/dbraw/zinc/85/33/11/1093853311.db2.gz IKXHNZOOCCTIHH-BBRMVZONSA-N 2 0 346.500 2.185 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCOC1)CC2 ZINC001449014911 1094016573 /nfs/dbraw/zinc/01/65/73/1094016573.db2.gz NUSZVUXNFXYGIA-NSHGMRRFSA-N 2 0 349.519 2.012 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001440791539 1094033823 /nfs/dbraw/zinc/03/38/23/1094033823.db2.gz FUYXLIBBRGPNQW-HOTGVXAUSA-N 2 0 347.503 2.300 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001440842949 1094099055 /nfs/dbraw/zinc/09/90/55/1094099055.db2.gz PDWUEYFLNSLSPA-KGLIPLIRSA-N 2 0 335.517 2.444 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]Cc2ocnc2C)CC1 ZINC001440858974 1094120175 /nfs/dbraw/zinc/12/01/75/1094120175.db2.gz UZOKQGWZEGOGSB-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001441229468 1094608389 /nfs/dbraw/zinc/60/83/89/1094608389.db2.gz BKCCNAALHLEPJP-ZIDUMWFYSA-N 2 0 327.900 2.486 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]([NH2+]CC2CC3(CCC3)C2)C2CC2)CC1 ZINC001441250753 1094645420 /nfs/dbraw/zinc/64/54/20/1094645420.db2.gz OCGDGMWKNAMPCP-KRWDZBQOSA-N 2 0 333.520 2.393 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001441423842 1095015146 /nfs/dbraw/zinc/01/51/46/1095015146.db2.gz SIPSBDLAKTVRHQ-XHBSWPGZSA-N 2 0 337.414 2.141 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001441528443 1095235552 /nfs/dbraw/zinc/23/55/52/1095235552.db2.gz MSBQYOMCWNOZFB-IYBDPMFKSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001441848233 1095929951 /nfs/dbraw/zinc/92/99/51/1095929951.db2.gz XPTYTEPPJAOSCY-VQIMIIECSA-N 2 0 344.503 2.391 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](C[C@@H]1CCCOC1)CC2)C1CCC1 ZINC001441850255 1095935250 /nfs/dbraw/zinc/93/52/50/1095935250.db2.gz BASVWQCKPPFJKL-HQRMLTQVSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001441869263 1095981584 /nfs/dbraw/zinc/98/15/84/1095981584.db2.gz KNQCOXZQPNRPJJ-QXAKKESOSA-N 2 0 344.503 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@@H]2C1 ZINC001441871128 1095985188 /nfs/dbraw/zinc/98/51/88/1095985188.db2.gz LWSFYODPHADXHR-YNINQOBDSA-N 2 0 327.900 2.297 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001441874959 1095993378 /nfs/dbraw/zinc/99/33/78/1095993378.db2.gz MUMIYBASXPYCCR-APWZRJJASA-N 2 0 347.503 2.410 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(C3CC3)no2)C1 ZINC001441931852 1096122221 /nfs/dbraw/zinc/12/22/21/1096122221.db2.gz GPMNOQFTHUITBG-GOEBONIOSA-N 2 0 348.491 2.268 10 0 EEAERP CCOC1CC(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)C1 ZINC001442172759 1096436895 /nfs/dbraw/zinc/43/68/95/1096436895.db2.gz IXNCFUXZFBJETI-JCYILVPMSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](C(=O)NC1(C2CC[NH+](Cc3cnc(C)o3)CC2)CC1)[NH+](C)C ZINC001442268407 1096572685 /nfs/dbraw/zinc/57/26/85/1096572685.db2.gz NAXCDDCCYCQKOT-KRWDZBQOSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001443213293 1097668412 /nfs/dbraw/zinc/66/84/12/1097668412.db2.gz AIMHUPCIKSAMIH-ZHALLVOQSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443241335 1097708542 /nfs/dbraw/zinc/70/85/42/1097708542.db2.gz IIJUNZPFKZZBAH-YJBOKZPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001443271672 1097754372 /nfs/dbraw/zinc/75/43/72/1097754372.db2.gz OKJCYXQWZKWAOH-PMACEKPBSA-N 2 0 343.515 2.317 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001443832474 1098338021 /nfs/dbraw/zinc/33/80/21/1098338021.db2.gz LDGBKTWAMPSIMO-SJLPKXTDSA-N 2 0 333.476 2.068 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1)[NH+](C)C ZINC001479487369 1098560584 /nfs/dbraw/zinc/56/05/84/1098560584.db2.gz VYCATTMCHIWCLE-ZMSDIMECSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001479525982 1098592021 /nfs/dbraw/zinc/59/20/21/1098592021.db2.gz OFBSVIGZSDVFOH-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]C[C@@H]2CCOC2)CCCC1)CC(C)(C)C ZINC001444080099 1098607158 /nfs/dbraw/zinc/60/71/58/1098607158.db2.gz PQOIBQLCSUIUMZ-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(C)n1 ZINC001444105110 1098635257 /nfs/dbraw/zinc/63/52/57/1098635257.db2.gz LHQMTBGPBVSBMF-AZUAARDMSA-N 2 0 344.503 2.167 10 0 EEAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001444134854 1098673611 /nfs/dbraw/zinc/67/36/11/1098673611.db2.gz FMPJAYOAXMRQOK-XLIONFOSSA-N 2 0 344.503 2.025 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCOC1CCCCCC1 ZINC001479762007 1098923276 /nfs/dbraw/zinc/92/32/76/1098923276.db2.gz FTGPAPKAFYAQRM-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c1nc2ccccc2o1 ZINC001444395004 1098989998 /nfs/dbraw/zinc/98/99/98/1098989998.db2.gz ZVFDZCPMEODLOZ-ZIAGYGMSSA-N 2 0 332.448 2.182 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001479794151 1099007098 /nfs/dbraw/zinc/00/70/98/1099007098.db2.gz UXSSLGNFOSHVCG-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479835480 1099118886 /nfs/dbraw/zinc/11/88/86/1099118886.db2.gz VZWOOBQFVCNKTR-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1cccnc1)C1CC1 ZINC001479868655 1099204037 /nfs/dbraw/zinc/20/40/37/1099204037.db2.gz JPRGAARLULVVEV-IBGZPJMESA-N 2 0 344.503 2.425 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC001479895551 1099274607 /nfs/dbraw/zinc/27/46/07/1099274607.db2.gz LWPNGLUOXHBKDZ-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC=C(Cl)Cl)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001480020622 1099498377 /nfs/dbraw/zinc/49/83/77/1099498377.db2.gz JTUAGRIDJBAYSV-UONOGXRCSA-N 2 0 346.302 2.132 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]Cc1cccc(Cl)n1)C1CC1 ZINC001480064551 1099595389 /nfs/dbraw/zinc/59/53/89/1099595389.db2.gz BPIOYFVMELEYRK-OAHLLOKOSA-N 2 0 338.883 2.060 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC001480188931 1099785607 /nfs/dbraw/zinc/78/56/07/1099785607.db2.gz JHHXSVVMRNVSEI-MOPGFXCFSA-N 2 0 344.503 2.236 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C2)on1 ZINC001480216627 1099831242 /nfs/dbraw/zinc/83/12/42/1099831242.db2.gz VGXMMMAUAREIKR-IYBDPMFKSA-N 2 0 348.491 2.374 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001480238064 1099869006 /nfs/dbraw/zinc/86/90/06/1099869006.db2.gz OOAGKSKORYPSLR-CALCHBBNSA-N 2 0 328.460 2.245 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)C)on1 ZINC001444874505 1099884982 /nfs/dbraw/zinc/88/49/82/1099884982.db2.gz PNAUFTRTASMWCZ-DLBZAZTESA-N 2 0 336.480 2.086 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444909008 1099980319 /nfs/dbraw/zinc/98/03/19/1099980319.db2.gz YPTRTZVEXGKSDB-GOSISDBHSA-N 2 0 330.476 2.350 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1C)C(C)C ZINC001444938147 1100047108 /nfs/dbraw/zinc/04/71/08/1100047108.db2.gz JPOIMTHRQBOLTN-RTBURBONSA-N 2 0 346.519 2.495 10 0 EEAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001480331204 1100088197 /nfs/dbraw/zinc/08/81/97/1100088197.db2.gz KVUBYSWCLXFVMB-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001480462010 1100266068 /nfs/dbraw/zinc/26/60/68/1100266068.db2.gz DWMIDSDQIJEXFE-QFBILLFUSA-N 2 0 329.488 2.240 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c(C)n1 ZINC001480536262 1100366426 /nfs/dbraw/zinc/36/64/26/1100366426.db2.gz DSNBCBQIPOGZEQ-HNNXBMFYSA-N 2 0 334.508 2.271 10 0 EEAERP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001445325844 1100561594 /nfs/dbraw/zinc/56/15/94/1100561594.db2.gz OVONZFVDCRPDQY-LSDHHAIUSA-N 2 0 333.451 2.467 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496314549 1100906662 /nfs/dbraw/zinc/90/66/62/1100906662.db2.gz OUYMUFBBTAUUPV-MSOLQXFVSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001446504369 1100953157 /nfs/dbraw/zinc/95/31/57/1100953157.db2.gz XJIUDSYRKUDHLK-QFBILLFUSA-N 2 0 344.503 2.188 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)c(C)o1 ZINC001496573352 1101173062 /nfs/dbraw/zinc/17/30/62/1101173062.db2.gz GGUBXCXRCSIJLF-NVXWUHKLSA-N 2 0 336.480 2.006 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccn1 ZINC001496599216 1101200918 /nfs/dbraw/zinc/20/09/18/1101200918.db2.gz QSMUUEFIICKKHG-BQFCYCMXSA-N 2 0 332.492 2.042 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001446677898 1101223352 /nfs/dbraw/zinc/22/33/52/1101223352.db2.gz MIALPUJPBSSOMI-HKUYNNGSSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496643053 1101247883 /nfs/dbraw/zinc/24/78/83/1101247883.db2.gz MTGMOEUXNKVCKZ-GOSISDBHSA-N 2 0 349.523 2.099 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001446723494 1101293774 /nfs/dbraw/zinc/29/37/74/1101293774.db2.gz GRUNSZTZBZFBJR-KGLIPLIRSA-N 2 0 342.434 2.082 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001495665510 1101406342 /nfs/dbraw/zinc/40/63/42/1101406342.db2.gz KBIMZKVUNDWEGC-LIRRHRJNSA-N 2 0 347.478 2.318 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1cccc(Cl)n1 ZINC001495685900 1101434852 /nfs/dbraw/zinc/43/48/52/1101434852.db2.gz XVMZFTSQIFVRTK-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001495785499 1101594229 /nfs/dbraw/zinc/59/42/29/1101594229.db2.gz KMJKUFSYJNKXRH-GJZGRUSLSA-N 2 0 343.462 2.250 10 0 EEAERP C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446949445 1101642978 /nfs/dbraw/zinc/64/29/78/1101642978.db2.gz ZFIZFRAKPVPBEM-MAUKXSAKSA-N 2 0 342.487 2.446 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001496886129 1101667298 /nfs/dbraw/zinc/66/72/98/1101667298.db2.gz FBGFQOVGFXDVJW-MAUKXSAKSA-N 2 0 348.466 2.080 10 0 EEAERP CCc1nc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)cs1 ZINC001496904807 1101697556 /nfs/dbraw/zinc/69/75/56/1101697556.db2.gz UYDWHGHQZOEIQC-UKRRQHHQSA-N 2 0 338.521 2.032 10 0 EEAERP C[C@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)CC[NH+](C)C ZINC001496149953 1102140618 /nfs/dbraw/zinc/14/06/18/1102140618.db2.gz PERXVQWKESOQFU-CYBMUJFWSA-N 2 0 334.489 2.185 10 0 EEAERP COCc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001497217988 1102142396 /nfs/dbraw/zinc/14/23/96/1102142396.db2.gz ZERWILLIVQIQDH-VQIMIIECSA-N 2 0 347.503 2.302 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC2CCOCC2)C1 ZINC001497257313 1102205189 /nfs/dbraw/zinc/20/51/89/1102205189.db2.gz WHZHJLURXRHQKG-SJLPKXTDSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cncs3)CC2)CCC1 ZINC001447310421 1102424485 /nfs/dbraw/zinc/42/44/85/1102424485.db2.gz RSDNNVIKQXSYDD-AWEZNQCLSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001447313537 1102431994 /nfs/dbraw/zinc/43/19/94/1102431994.db2.gz XWSFSPFAASBYAN-QZTJIDSGSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccc(F)c(F)c1)C(=O)C[NH+]1CCCC1 ZINC001447373158 1102549469 /nfs/dbraw/zinc/54/94/69/1102549469.db2.gz BQBNWGPMEDDEDV-UHFFFAOYSA-N 2 0 339.430 2.341 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]CC2CCCCC2)CCOCC1)[NH+](C)C ZINC001447477583 1102719721 /nfs/dbraw/zinc/71/97/21/1102719721.db2.gz ZVWWBBZPWASEIW-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001497690855 1102912291 /nfs/dbraw/zinc/91/22/91/1102912291.db2.gz IIXFDBRHSPUSJJ-IPLHWJFFSA-N 2 0 348.491 2.316 10 0 EEAERP Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001447632339 1103001557 /nfs/dbraw/zinc/00/15/57/1103001557.db2.gz JNYWGZYHCWPQSP-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)c1 ZINC001447807426 1103368992 /nfs/dbraw/zinc/36/89/92/1103368992.db2.gz WUPYNMQOCFEPTH-HPUBIQBYSA-N 2 0 333.476 2.192 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)n1 ZINC001447896775 1103544095 /nfs/dbraw/zinc/54/40/95/1103544095.db2.gz ILHSYGOJFCXLSU-GJZGRUSLSA-N 2 0 332.492 2.023 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001447915637 1103587266 /nfs/dbraw/zinc/58/72/66/1103587266.db2.gz XIUUBMCLLSSUIV-JKSUJKDBSA-N 2 0 339.524 2.016 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C)[NH+](C)C ZINC001448055333 1103907179 /nfs/dbraw/zinc/90/71/79/1103907179.db2.gz BMBBGKHDCIQUDR-NVXWUHKLSA-N 2 0 334.508 2.029 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001448130842 1104074245 /nfs/dbraw/zinc/07/42/45/1104074245.db2.gz HRIYIUCZJWGWPU-MRXNPFEDSA-N 2 0 344.503 2.237 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2ncccc2c1 ZINC001448143127 1104098415 /nfs/dbraw/zinc/09/84/15/1104098415.db2.gz CQQLQUXWPVJTNA-MAUKXSAKSA-N 2 0 340.471 2.123 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001448277502 1104305274 /nfs/dbraw/zinc/30/52/74/1104305274.db2.gz SXTYZSLPLYDWJO-ZWKOTPCHSA-N 2 0 332.492 2.331 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccnc1 ZINC001495068781 1104707639 /nfs/dbraw/zinc/70/76/39/1104707639.db2.gz KEVVQSYIZWQULQ-ZWKOTPCHSA-N 2 0 332.492 2.329 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001497992936 1106750292 /nfs/dbraw/zinc/75/02/92/1106750292.db2.gz JPTRNKZWRCBSRH-AEFFLSMTSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1Cl ZINC001497993661 1106751178 /nfs/dbraw/zinc/75/11/78/1106751178.db2.gz SAJWDGWAAZSDSE-GFCCVEGCSA-N 2 0 329.847 2.414 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)C1)[NH+](C)C ZINC001480623110 1106783600 /nfs/dbraw/zinc/78/36/00/1106783600.db2.gz PJZRWKUGXZYTQT-OALUTQOASA-N 2 0 331.504 2.458 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001480674914 1106862123 /nfs/dbraw/zinc/86/21/23/1106862123.db2.gz ASPCJEHRTTXPIN-SFHVURJKSA-N 2 0 346.519 2.368 10 0 EEAERP CCn1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)n1 ZINC001498198571 1107069617 /nfs/dbraw/zinc/06/96/17/1107069617.db2.gz NGYAIMSKJSGRFU-WMZOPIPTSA-N 2 0 349.523 2.008 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001480803592 1107146275 /nfs/dbraw/zinc/14/62/75/1107146275.db2.gz RCXRPHLPXIUZQK-OAHLLOKOSA-N 2 0 333.451 2.214 10 0 EEAERP CC1CC(C[N@@H+]2CCC[C@H]2CCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480834249 1107233859 /nfs/dbraw/zinc/23/38/59/1107233859.db2.gz LTJBWBLPDJNYRP-DAWZGUTISA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1F ZINC001498759594 1108045672 /nfs/dbraw/zinc/04/56/72/1108045672.db2.gz MPYVADUGXOOWCB-BJZITVGISA-N 2 0 347.478 2.459 10 0 EEAERP O=C(NCC[N@H+](CC1CCOCC1)C1CC1)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001493430897 1108144596 /nfs/dbraw/zinc/14/45/96/1108144596.db2.gz WMPGNYCVTUPDBL-OALUTQOASA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](CC[C@@H](C)F)C2CC2)CC1 ZINC001493432784 1108148061 /nfs/dbraw/zinc/14/80/61/1108148061.db2.gz GMNLYRZUDPADTF-OAHLLOKOSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC001498817702 1108159704 /nfs/dbraw/zinc/15/97/04/1108159704.db2.gz MNNZMGXJWPDCJI-INIZCTEOSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccc2sc(C[NH2+]CCN(C)C(=O)[C@H]3CCC[N@@H+]3C)nc2c1 ZINC001493500520 1108239819 /nfs/dbraw/zinc/23/98/19/1108239819.db2.gz PFCMAJDVGPKBQA-OAHLLOKOSA-N 2 0 346.500 2.247 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)C1CC[NH+](C)CC1 ZINC001493681882 1108499230 /nfs/dbraw/zinc/49/92/30/1108499230.db2.gz QOUNNEZWXDJHIZ-QGZVFWFLSA-N 2 0 343.515 2.181 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001493869536 1108763981 /nfs/dbraw/zinc/76/39/81/1108763981.db2.gz CPOSLKLAMFLTDG-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP CS[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@@H]1[NH+](C)C ZINC001457737745 1109749555 /nfs/dbraw/zinc/74/95/55/1109749555.db2.gz BTDUXLOMANUVBT-XSLAGTTESA-N 2 0 347.528 2.183 10 0 EEAERP Cc1nnc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001460802602 1110324241 /nfs/dbraw/zinc/32/42/41/1110324241.db2.gz DRKBCELZCLJZND-MSOLQXFVSA-N 2 0 326.444 2.374 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)c1 ZINC001499922459 1112542453 /nfs/dbraw/zinc/54/24/53/1112542453.db2.gz DEXXCWUKZVNVFS-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1)[NH+]1CCCC1 ZINC001500132078 1112631756 /nfs/dbraw/zinc/63/17/56/1112631756.db2.gz ZVFPPWHCFQUUAU-IRXDYDNUSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520090 1112913279 /nfs/dbraw/zinc/91/32/79/1112913279.db2.gz YNAQCUJMJYZWJW-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001501569523 1113386162 /nfs/dbraw/zinc/38/61/62/1113386162.db2.gz ZWOSBINQTOVGEC-ZHALLVOQSA-N 2 0 344.503 2.058 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]C/C=C/Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001501581909 1113390397 /nfs/dbraw/zinc/39/03/97/1113390397.db2.gz NARNCVMCGSQGLT-ICFOYXHFSA-N 2 0 339.911 2.443 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001501651301 1113416181 /nfs/dbraw/zinc/41/61/81/1113416181.db2.gz NWTNZGPRVBGMNA-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001502083089 1113581114 /nfs/dbraw/zinc/58/11/14/1113581114.db2.gz RWTGJJVRRUENCC-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)CC1(C)C ZINC001502830026 1113821846 /nfs/dbraw/zinc/82/18/46/1113821846.db2.gz CMOLUKSHAVNMJE-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOc2ccccc2)[C@@H](C)C1 ZINC001503024407 1113873786 /nfs/dbraw/zinc/87/37/86/1113873786.db2.gz XRPCBQLMPWXXBL-ROUUACIJSA-N 2 0 347.503 2.375 10 0 EEAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001503473299 1113888684 /nfs/dbraw/zinc/88/86/84/1113888684.db2.gz NGNXFPUMYGCUOE-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001505503617 1114026733 /nfs/dbraw/zinc/02/67/33/1114026733.db2.gz NPLHMEFWAFATEY-FHERZECASA-N 2 0 325.472 2.095 10 0 EEAERP C[C@@H]([NH2+]Cc1cncs1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505606903 1114081971 /nfs/dbraw/zinc/08/19/71/1114081971.db2.gz XWPZGRRGGIFTAI-KGLIPLIRSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001505731448 1114156016 /nfs/dbraw/zinc/15/60/16/1114156016.db2.gz CEVODKRXZCRXRX-SJORKVTESA-N 2 0 329.488 2.382 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]Cc1cncs1 ZINC001505756826 1114171792 /nfs/dbraw/zinc/17/17/92/1114171792.db2.gz IGIHVKPQCBUMFG-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001506848473 1114910864 /nfs/dbraw/zinc/91/08/64/1114910864.db2.gz AVDCOHKKKIALPX-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001506935915 1114986360 /nfs/dbraw/zinc/98/63/60/1114986360.db2.gz NPCAPWLUGYVGBN-BZSNNMDCSA-N 2 0 346.519 2.495 10 0 EEAERP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507015135 1115055193 /nfs/dbraw/zinc/05/51/93/1115055193.db2.gz LXPLKNXAFGUZJG-GOSISDBHSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001507095457 1115105815 /nfs/dbraw/zinc/10/58/15/1115105815.db2.gz MTJAFVGVMARJJN-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001507160865 1115141455 /nfs/dbraw/zinc/14/14/55/1115141455.db2.gz GSUODXMVMFFMKJ-HNNXBMFYSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001507160871 1115141481 /nfs/dbraw/zinc/14/14/81/1115141481.db2.gz GUYACDBRPQIKEG-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001507163336 1115142505 /nfs/dbraw/zinc/14/25/05/1115142505.db2.gz UNVKCIVQUNTKLY-OLZOCXBDSA-N 2 0 338.323 2.347 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)CN1C(=O)CC[NH+](C)C ZINC001507316802 1115188501 /nfs/dbraw/zinc/18/85/01/1115188501.db2.gz DRMZICBVZDQOQJ-WBVHZDCISA-N 2 0 347.507 2.029 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]2C1 ZINC001507362857 1115223376 /nfs/dbraw/zinc/22/33/76/1115223376.db2.gz SGTFXCUUOMXSHT-BFHYXJOUSA-N 2 0 348.318 2.474 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507410922 1115256223 /nfs/dbraw/zinc/25/62/23/1115256223.db2.gz PAIZLNLXHRAITD-OALUTQOASA-N 2 0 331.504 2.364 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccnc2C)C(C)(C)C1 ZINC001507449447 1115276002 /nfs/dbraw/zinc/27/60/02/1115276002.db2.gz FDHMSAILTCTEHZ-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]Cc2ccccn2)cc1F ZINC001508238607 1115457345 /nfs/dbraw/zinc/45/73/45/1115457345.db2.gz DGHUDNXDBDMKBA-UHFFFAOYSA-N 2 0 344.434 2.078 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001568076411 1124282501 /nfs/dbraw/zinc/28/25/01/1124282501.db2.gz NXITYMQKDDFYDI-PKOBYXMFSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCCC1 ZINC001568234862 1124377599 /nfs/dbraw/zinc/37/75/99/1124377599.db2.gz GOTLKJDKMRYPAZ-IAGOWNOFSA-N 2 0 339.524 2.039 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001568364342 1124439345 /nfs/dbraw/zinc/43/93/45/1124439345.db2.gz VEILBPIPFDPISC-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)on1 ZINC001568368960 1124441215 /nfs/dbraw/zinc/44/12/15/1124441215.db2.gz HRXHZQKNYSPMSQ-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001568405919 1124475361 /nfs/dbraw/zinc/47/53/61/1124475361.db2.gz AQJGLBAPORTIDJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCc1cccc(F)c1 ZINC001568827218 1124846079 /nfs/dbraw/zinc/84/60/79/1124846079.db2.gz KYGMFAMTMZPPPD-DCKQQPRJSA-N 2 0 333.451 2.115 10 0 EEAERP COc1cc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001568919851 1124947630 /nfs/dbraw/zinc/94/76/30/1124947630.db2.gz JWBGGDSNSIJRLK-APHBUQMISA-N 2 0 345.487 2.107 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568940432 1124973309 /nfs/dbraw/zinc/97/33/09/1124973309.db2.gz VVULNVHZRUNHAL-AATRIKPKSA-N 2 0 348.491 2.039 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1nc2ccccc2o1 ZINC001569270102 1125209512 /nfs/dbraw/zinc/20/95/12/1125209512.db2.gz JLQVCCPDAIZDJX-UHFFFAOYSA-N 2 0 332.448 2.106 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422731304 240198760 /nfs/dbraw/zinc/19/87/60/240198760.db2.gz NLNBDNWAGFZLPE-IPELMVKDSA-N 2 0 331.504 2.472 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)CC[NH2+]CC1 ZINC000422988040 240319604 /nfs/dbraw/zinc/31/96/04/240319604.db2.gz HXJLWWPQGYGXHS-OAHLLOKOSA-N 2 0 348.491 2.409 10 0 EEAERP O=C(C[N@@H+]1CCCc2ccccc2CC1)NC1CC[NH+](C2CC2)CC1 ZINC000451710296 243220675 /nfs/dbraw/zinc/22/06/75/243220675.db2.gz MBMBSWWXBDPOAL-UHFFFAOYSA-N 2 0 341.499 2.220 10 0 EEAERP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246050082 256014056 /nfs/dbraw/zinc/01/40/56/256014056.db2.gz VARMMNQTNDRHOE-MJGOQNOKSA-N 2 0 345.462 2.344 10 0 EEAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000268149271 256119462 /nfs/dbraw/zinc/11/94/62/256119462.db2.gz WCIUBRCEGUPADP-SCLBCKFNSA-N 2 0 348.466 2.169 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154602779 224278367 /nfs/dbraw/zinc/27/83/67/224278367.db2.gz QEVSWLMNFLMTMG-WMZOPIPTSA-N 2 0 345.487 2.183 10 0 EEAERP CC[NH+]1CCN(c2ncc(Br)cc2C[NH2+]C2CC2)CC1 ZINC000051436663 132181277 /nfs/dbraw/zinc/18/12/77/132181277.db2.gz KKFYWGKFNHJYAY-UHFFFAOYSA-N 2 0 339.281 2.238 10 0 EEAERP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000192136033 160167634 /nfs/dbraw/zinc/16/76/34/160167634.db2.gz SLSLINFTFCQCGW-UHFFFAOYSA-N 2 0 341.503 2.250 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(F)c1 ZINC000246446467 160279710 /nfs/dbraw/zinc/27/97/10/160279710.db2.gz OIKNOQNLARDWIV-ROUUACIJSA-N 2 0 348.466 2.308 10 0 EEAERP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCC[C@H](C)C1 ZINC000247364267 160321778 /nfs/dbraw/zinc/32/17/78/160321778.db2.gz CMWQUZHNNZKFAB-DUQJVZAFSA-N 2 0 336.524 2.421 10 0 EEAERP C[N@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccc(F)cc1 ZINC000247366614 160321863 /nfs/dbraw/zinc/32/18/63/160321863.db2.gz RHNQPZYNUTZFFB-MSOLQXFVSA-N 2 0 348.466 2.136 10 0 EEAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248199887 160340356 /nfs/dbraw/zinc/34/03/56/160340356.db2.gz YHNPSCYVTZROJE-CRAIPNDOSA-N 2 0 341.455 2.089 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000352102461 162069803 /nfs/dbraw/zinc/06/98/03/162069803.db2.gz ODWFZCICIWEOEO-UHFFFAOYSA-N 2 0 341.503 2.203 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000289474275 275119127 /nfs/dbraw/zinc/11/91/27/275119127.db2.gz XJPHTSZPVGRVBO-NHCUHLMSSA-N 2 0 344.547 2.438 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000291192051 275280339 /nfs/dbraw/zinc/28/03/39/275280339.db2.gz GBUIRSTZJXJHLH-QGZVFWFLSA-N 2 0 331.395 2.418 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000355594991 276115870 /nfs/dbraw/zinc/11/58/70/276115870.db2.gz FDNMYILRSDULBN-MRXNPFEDSA-N 2 0 332.492 2.243 10 0 EEAERP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C[C@H]1C ZINC000415964699 276239650 /nfs/dbraw/zinc/23/96/50/276239650.db2.gz YCSOIVJYADMLNR-CHWSQXEVSA-N 2 0 334.439 2.418 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)[C@H]2CCC[C@H]21 ZINC000367710206 277171251 /nfs/dbraw/zinc/17/12/51/277171251.db2.gz WGEDHJSPMOTLLW-HZSPNIEDSA-N 2 0 327.270 2.108 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000157902042 279429962 /nfs/dbraw/zinc/42/99/62/279429962.db2.gz DAYUAEVLQWBVNY-SFHVURJKSA-N 2 0 334.508 2.141 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000247985162 290206408 /nfs/dbraw/zinc/20/64/08/290206408.db2.gz IDYFZAPBQUUFJN-YDZRNGNQSA-N 2 0 342.487 2.310 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097358950 298570362 /nfs/dbraw/zinc/57/03/62/298570362.db2.gz YKDQFIHPLOGBFC-AEFFLSMTSA-N 2 0 332.492 2.463 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000365035534 303415117 /nfs/dbraw/zinc/41/51/17/303415117.db2.gz FEQMSIBLECZZTG-QYZOEREBSA-N 2 0 329.488 2.185 10 0 EEAERP C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000333496845 312156456 /nfs/dbraw/zinc/15/64/56/312156456.db2.gz CXGZBRGFVSKKLR-MAUKXSAKSA-N 2 0 345.491 2.067 10 0 EEAERP CCc1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414530074 313037705 /nfs/dbraw/zinc/03/77/05/313037705.db2.gz WTQUHTYKZNFYCY-UHFFFAOYSA-N 2 0 340.471 2.156 10 0 EEAERP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416877862 313345168 /nfs/dbraw/zinc/34/51/68/313345168.db2.gz VDRLDHBWEMPVOQ-GOSISDBHSA-N 2 0 332.492 2.455 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)CC(C)C ZINC000416943697 313368789 /nfs/dbraw/zinc/36/87/89/313368789.db2.gz CPHYWWKKMDSRKX-KBPBESRZSA-N 2 0 334.455 2.039 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418577012 313850679 /nfs/dbraw/zinc/85/06/79/313850679.db2.gz OQWHMLKZWSCSKY-UHOFOFEASA-N 2 0 338.883 2.240 10 0 EEAERP COc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000530217506 317701125 /nfs/dbraw/zinc/70/11/25/317701125.db2.gz BXDJSGOTGPKTLI-FXAWDEMLSA-N 2 0 339.439 2.478 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000544349573 318185673 /nfs/dbraw/zinc/18/56/73/318185673.db2.gz CTOJBKQXLOOMQM-HNNXBMFYSA-N 2 0 327.432 2.053 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000575354396 320103028 /nfs/dbraw/zinc/10/30/28/320103028.db2.gz MATJXLKVVQHRIN-YVWKXTFCSA-N 2 0 344.503 2.420 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000576372137 320166702 /nfs/dbraw/zinc/16/67/02/320166702.db2.gz GAMIHGAHULJHNF-YOEHRIQHSA-N 2 0 336.505 2.136 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Cc1ccc(F)cc1C ZINC000580952204 324157841 /nfs/dbraw/zinc/15/78/41/324157841.db2.gz NRZICTZXMKIVMU-QANKJYHBSA-N 2 0 335.467 2.017 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000355671817 465264466 /nfs/dbraw/zinc/26/44/66/465264466.db2.gz WXWRTXLAEAWSPB-RTBURBONSA-N 2 0 347.503 2.297 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113592835 462603769 /nfs/dbraw/zinc/60/37/69/462603769.db2.gz ZSTNHBMPBZQNEN-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000120784348 463037983 /nfs/dbraw/zinc/03/79/83/463037983.db2.gz QNWCYAZNGPUMES-MSOLQXFVSA-N 2 0 349.519 2.009 10 0 EEAERP CC[NH+](CC)CCCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000081223896 463405555 /nfs/dbraw/zinc/40/55/55/463405555.db2.gz GWFVJVNLONPYRE-UHFFFAOYSA-N 2 0 346.519 2.290 10 0 EEAERP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876041 463484906 /nfs/dbraw/zinc/48/49/06/463484906.db2.gz QUUDEDLBVJNVAA-CQSZACIVSA-N 2 0 346.500 2.441 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccnc3)cn2)CC1 ZINC000112529218 463703601 /nfs/dbraw/zinc/70/36/01/463703601.db2.gz ALTIGSZVMGEIHL-INIZCTEOSA-N 2 0 325.460 2.469 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000194152953 463803858 /nfs/dbraw/zinc/80/38/58/463803858.db2.gz KSZPHJWSMXPSSK-VQIMIIECSA-N 2 0 344.503 2.217 10 0 EEAERP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000261669343 463821608 /nfs/dbraw/zinc/82/16/08/463821608.db2.gz GEUHZRPBFZXLFO-LJQANCHMSA-N 2 0 345.487 2.043 10 0 EEAERP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261892928 463891542 /nfs/dbraw/zinc/89/15/42/463891542.db2.gz XPXSOSBOQRIFCG-JYJNAYRXSA-N 2 0 340.512 2.295 10 0 EEAERP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261907017 463895214 /nfs/dbraw/zinc/89/52/14/463895214.db2.gz IMBSKZYOZMDBTL-OTWHNJEPSA-N 2 0 345.487 2.073 10 0 EEAERP O=C(C1CC[NH+](CC2CC[NH2+]CC2)CC1)N1CCc2ccccc21 ZINC000178966633 464027449 /nfs/dbraw/zinc/02/74/49/464027449.db2.gz RIKRTSBWMSGCJT-UHFFFAOYSA-N 2 0 327.472 2.287 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000174123500 464364888 /nfs/dbraw/zinc/36/48/88/464364888.db2.gz ZVOODHPGVGWRSO-ZWKOTPCHSA-N 2 0 334.508 2.129 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174221724 464379092 /nfs/dbraw/zinc/37/90/92/464379092.db2.gz NDLKCVCKOLXLKE-GOSISDBHSA-N 2 0 336.524 2.236 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000246375197 464577865 /nfs/dbraw/zinc/57/78/65/464577865.db2.gz QLWHLWDPGBVWIJ-MSOLQXFVSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182895999 464752034 /nfs/dbraw/zinc/75/20/34/464752034.db2.gz VBTFOCIWZRXQKL-XYJFISCASA-N 2 0 334.508 2.129 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC000339546471 465337879 /nfs/dbraw/zinc/33/78/79/465337879.db2.gz VYUODUWDBCEBDW-QBUWPKIASA-N 2 0 348.535 2.375 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000361402754 465964032 /nfs/dbraw/zinc/96/40/32/465964032.db2.gz AXEAQLWKIIMHKP-QGZVFWFLSA-N 2 0 344.503 2.387 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000346193195 465979043 /nfs/dbraw/zinc/97/90/43/465979043.db2.gz FGSGCZZHFQVAAJ-IAGOWNOFSA-N 2 0 330.457 2.282 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000338464815 466149292 /nfs/dbraw/zinc/14/92/92/466149292.db2.gz SRYQIMYOICTGBN-NJAFHUGGSA-N 2 0 330.476 2.215 10 0 EEAERP COCCN1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361530 468480479 /nfs/dbraw/zinc/48/04/79/468480479.db2.gz DDEDUNXRLUTBSN-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP c1[nH]nc2c1[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)CCC2 ZINC000367537587 466401331 /nfs/dbraw/zinc/40/13/31/466401331.db2.gz HBFCALPPMVJHJM-GOSISDBHSA-N 2 0 326.444 2.409 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367619998 466453444 /nfs/dbraw/zinc/45/34/44/466453444.db2.gz XNQPMKOMESEMQA-NCXUSEDFSA-N 2 0 334.460 2.200 10 0 EEAERP COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000347222085 466489316 /nfs/dbraw/zinc/48/93/16/466489316.db2.gz JRIJTVMPUSXHNM-QAPCUYQASA-N 2 0 335.492 2.438 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)C(=O)NCC[NH+](C)C ZINC000347233075 466496595 /nfs/dbraw/zinc/49/65/95/466496595.db2.gz PVRKLPYABZTWIF-BEFAXECRSA-N 2 0 347.503 2.460 10 0 EEAERP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000362107780 466562625 /nfs/dbraw/zinc/56/26/25/466562625.db2.gz XMJVVCYPCICDPC-INIZCTEOSA-N 2 0 337.445 2.116 10 0 EEAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)OCO2 ZINC000423519295 466764419 /nfs/dbraw/zinc/76/44/19/466764419.db2.gz PPKDPTBEKKJSEJ-OOHWJJMZSA-N 2 0 331.460 2.282 10 0 EEAERP C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)CO1 ZINC000423522243 466765741 /nfs/dbraw/zinc/76/57/41/466765741.db2.gz UHPBNKKTTIOOLU-AWUBQHKLSA-N 2 0 335.536 2.388 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000417158643 466792401 /nfs/dbraw/zinc/79/24/01/466792401.db2.gz BKZGDDUFAPARSD-RHSMWYFYSA-N 2 0 336.455 2.117 10 0 EEAERP CC[NH2+][C@H](C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417583049 466886860 /nfs/dbraw/zinc/88/68/60/466886860.db2.gz JNSJEQBOSVJSOW-BPIHKTFHSA-N 2 0 344.503 2.479 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423890606 466894108 /nfs/dbraw/zinc/89/41/08/466894108.db2.gz AXSSEXAPYQPFPN-MDNKFWRPSA-N 2 0 341.499 2.355 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000365650421 466896580 /nfs/dbraw/zinc/89/65/80/466896580.db2.gz BLUCEGVXGKPNQQ-SFHVURJKSA-N 2 0 325.472 2.190 10 0 EEAERP C[C@@H](CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417817024 466943548 /nfs/dbraw/zinc/94/35/48/466943548.db2.gz QYZXHQJHYOCHQH-LPHOPBHVSA-N 2 0 344.503 2.433 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417826436 466947366 /nfs/dbraw/zinc/94/73/66/466947366.db2.gz OGYWTZSCDLGZHB-IYBDPMFKSA-N 2 0 334.508 2.034 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417885457 466970245 /nfs/dbraw/zinc/97/02/45/466970245.db2.gz YFINZIUCOWCQBZ-HHXXYDBFSA-N 2 0 342.487 2.185 10 0 EEAERP O=CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000377080310 467020414 /nfs/dbraw/zinc/02/04/14/467020414.db2.gz FOJFLKHSHMHKIA-IHWFROFDSA-N 2 0 327.472 2.392 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424332348 467030278 /nfs/dbraw/zinc/03/02/78/467030278.db2.gz VCGCTASODNSFNA-NEWSRXKRSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000418189624 467070027 /nfs/dbraw/zinc/07/00/27/467070027.db2.gz IANWUEHAUJAGSX-GDAAHCPNSA-N 2 0 342.487 2.185 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000418367362 467099898 /nfs/dbraw/zinc/09/98/98/467099898.db2.gz ZJSUOGUNJOMURI-GOSISDBHSA-N 2 0 341.459 2.038 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000418586112 467132265 /nfs/dbraw/zinc/13/22/65/467132265.db2.gz ZJMRCENHAVONGR-MJGOQNOKSA-N 2 0 346.519 2.190 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418613146 467136322 /nfs/dbraw/zinc/13/63/22/467136322.db2.gz IKPAQJOUFQOXRS-NEWSRXKRSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418712538 467149120 /nfs/dbraw/zinc/14/91/20/467149120.db2.gz XHZQYHNJDQHVQJ-OVWQWFNUSA-N 2 0 332.492 2.417 10 0 EEAERP C[NH+](C)CCCOC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431862850 467199456 /nfs/dbraw/zinc/19/94/56/467199456.db2.gz ZKVVMZBULDCVFG-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382998323 467379419 /nfs/dbraw/zinc/37/94/19/467379419.db2.gz ZIDMGCOQABTCGK-JKSUJKDBSA-N 2 0 343.512 2.190 10 0 EEAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372448 467382584 /nfs/dbraw/zinc/38/25/84/467382584.db2.gz MICSKJHXSQSASG-IBGZPJMESA-N 2 0 331.460 2.489 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000397585589 467443487 /nfs/dbraw/zinc/44/34/87/467443487.db2.gz IWXALPVRJMBHFF-MJGOQNOKSA-N 2 0 343.515 2.228 10 0 EEAERP COCC1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000397690568 467443666 /nfs/dbraw/zinc/44/36/66/467443666.db2.gz PQXHUCIUAUSEJR-UHFFFAOYSA-N 2 0 332.488 2.420 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CCC[N@H+](C)CC2)CC1 ZINC000435250200 467455060 /nfs/dbraw/zinc/45/50/60/467455060.db2.gz XRLISYIFTHQBJH-UHFFFAOYSA-N 2 0 330.520 2.356 10 0 EEAERP CCO[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000405387678 467481583 /nfs/dbraw/zinc/48/15/83/467481583.db2.gz QBBGRYSZZGRFQK-CHWSQXEVSA-N 2 0 336.461 2.026 10 0 EEAERP COc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000436241048 467524371 /nfs/dbraw/zinc/52/43/71/467524371.db2.gz QDJQPXZCBAPGCU-UHFFFAOYSA-N 2 0 332.492 2.130 10 0 EEAERP CC[NH+]1CCC[C@H]1CNc1cncc(NC[C@@H]2CCC[N@H+]2CC)n1 ZINC000450218503 467800738 /nfs/dbraw/zinc/80/07/38/467800738.db2.gz UEIHODHTVWLDBF-HOTGVXAUSA-N 2 0 332.496 2.269 10 0 EEAERP CN1CCC(CNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000458460319 467838591 /nfs/dbraw/zinc/83/85/91/467838591.db2.gz CZRVUCGRSFTBBC-SQNIBIBYSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000557135363 468615209 /nfs/dbraw/zinc/61/52/09/468615209.db2.gz AFRLHKZJQZMXOW-ILXRZTDVSA-N 2 0 336.505 2.182 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000570395715 468633429 /nfs/dbraw/zinc/63/34/29/468633429.db2.gz OBHJBFDOURYXAE-IBGZPJMESA-N 2 0 331.504 2.351 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000600724327 468636351 /nfs/dbraw/zinc/63/63/51/468636351.db2.gz NKFOCRQRWVEGHP-XZZQLLPFSA-N 2 0 340.508 2.322 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557667403 468645716 /nfs/dbraw/zinc/64/57/16/468645716.db2.gz LUVAOLCWWGKNFJ-ZHALLVOQSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589158795 469202722 /nfs/dbraw/zinc/20/27/22/469202722.db2.gz UBWATNPUKLQJGD-AWEZNQCLSA-N 2 0 328.420 2.263 10 0 EEAERP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCc3ccccc3C1)C2 ZINC000615607488 469281645 /nfs/dbraw/zinc/28/16/45/469281645.db2.gz YYSYPRPUSJPGFI-NRFANRHFSA-N 2 0 341.499 2.379 10 0 EEAERP COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000599557753 469292351 /nfs/dbraw/zinc/29/23/51/469292351.db2.gz BLUHBJFLEIQXII-FQEVSTJZSA-N 2 0 346.471 2.436 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000625862657 469415216 /nfs/dbraw/zinc/41/52/16/469415216.db2.gz NMCMQFQSEYTUST-LSDHHAIUSA-N 2 0 334.464 2.197 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625941319 469443617 /nfs/dbraw/zinc/44/36/17/469443617.db2.gz RSTFFJCXLZACLF-UHFFFAOYSA-N 2 0 332.448 2.118 10 0 EEAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCOCCC[NH3+])c(Cl)c1 ZINC000629399125 469531647 /nfs/dbraw/zinc/53/16/47/469531647.db2.gz MAYOOJFAOMJJFU-ZDUSSCGKSA-N 2 0 327.856 2.321 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629538069 469574435 /nfs/dbraw/zinc/57/44/35/469574435.db2.gz MBNUVRWSLWDRDO-HSALFYBXSA-N 3 0 331.504 2.242 10 0 EEAERP CCOc1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(F)cc1OC ZINC000623358743 469633663 /nfs/dbraw/zinc/63/36/63/469633663.db2.gz QCBFTFJENZWKNX-UHFFFAOYSA-N 2 0 340.439 2.435 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC1(C)C ZINC000623426492 469653656 /nfs/dbraw/zinc/65/36/56/469653656.db2.gz NLHUNZZXQUYZKK-NSHDSACASA-N 2 0 331.386 2.370 10 0 EEAERP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000627005047 469786951 /nfs/dbraw/zinc/78/69/51/469786951.db2.gz RKEZRBBUEWPBQN-UKBAYJJMSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000623881339 469787168 /nfs/dbraw/zinc/78/71/68/469787168.db2.gz KTRPTOFBWHLCSD-IEBWSBKVSA-N 2 0 332.492 2.141 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000627166280 469831165 /nfs/dbraw/zinc/83/11/65/469831165.db2.gz BCTXYGUPOQJAHN-YTQUADARSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[NH2+]1 ZINC000627195034 469840577 /nfs/dbraw/zinc/84/05/77/469840577.db2.gz IUNARJCDLRVRQT-ZBFHGGJFSA-N 2 0 336.455 2.039 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627201043 469842852 /nfs/dbraw/zinc/84/28/52/469842852.db2.gz VXBFIBDAECOZND-SJLPKXTDSA-N 2 0 344.503 2.433 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC000620975323 469965380 /nfs/dbraw/zinc/96/53/80/469965380.db2.gz UUBZFDUXZXOCGQ-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(F)(F)F ZINC000625023438 470062003 /nfs/dbraw/zinc/06/20/03/470062003.db2.gz HELMUMMNHRLWRB-UONOGXRCSA-N 2 0 337.430 2.449 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886122 470189363 /nfs/dbraw/zinc/18/93/63/470189363.db2.gz GOMKOILDQURPSQ-CRAIPNDOSA-N 2 0 341.455 2.137 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634711470 470284022 /nfs/dbraw/zinc/28/40/22/470284022.db2.gz PJJDTWCXJKMMJC-RCVZYCBYSA-N 2 0 346.515 2.399 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712310 470284724 /nfs/dbraw/zinc/28/47/24/470284724.db2.gz CIBUBEWLCCREFX-RLLQIKCJSA-N 2 0 332.488 2.010 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638835036 470299508 /nfs/dbraw/zinc/29/95/08/470299508.db2.gz JUVGIEHLLCENSH-QFHJOOASSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000638978352 470343498 /nfs/dbraw/zinc/34/34/98/470343498.db2.gz XYIRXBFPMFTQME-WBVHZDCISA-N 2 0 330.476 2.334 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[nH+]1 ZINC000635007081 470400318 /nfs/dbraw/zinc/40/03/18/470400318.db2.gz DSWNGWOFCVOKHJ-KBAYOESNSA-N 2 0 330.476 2.498 10 0 EEAERP CCN(CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000646106310 470528969 /nfs/dbraw/zinc/52/89/69/470528969.db2.gz UDFFUQCXAFPVAB-UHFFFAOYSA-N 2 0 337.430 2.057 10 0 EEAERP CCN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649306032 470538824 /nfs/dbraw/zinc/53/88/24/470538824.db2.gz VZIKFGCIRCBAMF-AEFFLSMTSA-N 2 0 345.487 2.049 10 0 EEAERP CN1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000646280085 470589846 /nfs/dbraw/zinc/58/98/46/470589846.db2.gz TUHOADZLVGYQIH-GOEBONIOSA-N 2 0 335.354 2.192 10 0 EEAERP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccncc1 ZINC000647288240 470877405 /nfs/dbraw/zinc/87/74/05/470877405.db2.gz VFWGEPDSKDAYLN-MSOLQXFVSA-N 2 0 332.492 2.346 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc21 ZINC000647901160 471012597 /nfs/dbraw/zinc/01/25/97/471012597.db2.gz JSXXKDPCAUBAMX-QZTJIDSGSA-N 2 0 327.472 2.430 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654550007 471067354 /nfs/dbraw/zinc/06/73/54/471067354.db2.gz DRNKPXFDQTTZDR-QRVBRYPASA-N 2 0 344.503 2.148 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C(C)(C)C)n1 ZINC000654679017 471126425 /nfs/dbraw/zinc/12/64/25/471126425.db2.gz LAGUYOXWZIIDQL-INIZCTEOSA-N 2 0 349.523 2.126 10 0 EEAERP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496928 471153439 /nfs/dbraw/zinc/15/34/39/471153439.db2.gz TZZJERIODZRIDI-MOPGFXCFSA-N 2 0 345.487 2.041 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657841815 471240038 /nfs/dbraw/zinc/24/00/38/471240038.db2.gz GVPMXMQXEFCRCW-LJQANCHMSA-N 2 0 329.488 2.235 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000652128231 471241036 /nfs/dbraw/zinc/24/10/36/471241036.db2.gz SWSUCUPBQVSERC-CVEARBPZSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000652133223 471242006 /nfs/dbraw/zinc/24/20/06/471242006.db2.gz KIFYGCQRPDCSHA-UHFFFAOYSA-N 2 0 330.476 2.080 10 0 EEAERP [NH3+]CC1(CCNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000652232055 471259531 /nfs/dbraw/zinc/25/95/31/471259531.db2.gz OYDWMADXDUMXNJ-ZWKOTPCHSA-N 2 0 342.487 2.031 10 0 EEAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652243693 471261211 /nfs/dbraw/zinc/26/12/11/471261211.db2.gz DQPXVUWXPDGUNE-UHFFFAOYSA-N 2 0 344.503 2.341 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c(F)c1 ZINC000652268860 471264649 /nfs/dbraw/zinc/26/46/49/471264649.db2.gz OFEXKYHOZACROP-SFHVURJKSA-N 2 0 342.418 2.052 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000652286976 471267220 /nfs/dbraw/zinc/26/72/20/471267220.db2.gz KXQJNNQPHQQMOD-MRXNPFEDSA-N 2 0 330.476 2.033 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652616969 471314756 /nfs/dbraw/zinc/31/47/56/471314756.db2.gz JYWKKHSUVGYUBS-OAHLLOKOSA-N 2 0 328.420 2.215 10 0 EEAERP CC[NH+]1CCN(CCNc2cc[nH+]c3cc(F)c(OC)cc23)CC1 ZINC000663397461 471357465 /nfs/dbraw/zinc/35/74/65/471357465.db2.gz KLABXVLRJVCUGO-UHFFFAOYSA-N 2 0 332.423 2.432 10 0 EEAERP Fc1cccc([C@H]2C[NH2+]CCN2Cc2nc3c(s2)C[NH2+]CC3)c1 ZINC000663492663 471400390 /nfs/dbraw/zinc/40/03/90/471400390.db2.gz AWEXANYUJGOYSJ-OAHLLOKOSA-N 2 0 332.448 2.074 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659029276 471473773 /nfs/dbraw/zinc/47/37/73/471473773.db2.gz BBRVIYYHWZQDMO-MAUKXSAKSA-N 2 0 346.475 2.343 10 0 EEAERP CCc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[NH+](C)C)cc1 ZINC000653106054 471489260 /nfs/dbraw/zinc/48/92/60/471489260.db2.gz REYFMSXRHXDBJC-FHWLQOOXSA-N 2 0 329.488 2.499 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000669425526 471493328 /nfs/dbraw/zinc/49/33/28/471493328.db2.gz RKGUWUQPQGEPRP-ARJAWSKDSA-N 2 0 330.476 2.377 10 0 EEAERP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653119350 471497868 /nfs/dbraw/zinc/49/78/68/471497868.db2.gz GRPRFWFXTBHWTG-MSOLQXFVSA-N 2 0 331.460 2.486 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663750897 471501522 /nfs/dbraw/zinc/50/15/22/471501522.db2.gz NMDZBBNTJDONOJ-DLBZAZTESA-N 2 0 336.455 2.164 10 0 EEAERP [NH3+]C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(F)(F)F ZINC000655910507 471533412 /nfs/dbraw/zinc/53/34/12/471533412.db2.gz WHBRNEIXASQOAI-ZIAGYGMSSA-N 2 0 344.381 2.012 10 0 EEAERP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381952 471599371 /nfs/dbraw/zinc/59/93/71/471599371.db2.gz NPCSNYSYVQLOMQ-QGZVFWFLSA-N 2 0 329.488 2.390 10 0 EEAERP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H](C)[NH3+] ZINC000659383010 471599400 /nfs/dbraw/zinc/59/94/00/471599400.db2.gz SIHYKKDDZVEYDN-RYRKJORJSA-N 2 0 329.488 2.388 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000667014042 471623613 /nfs/dbraw/zinc/62/36/13/471623613.db2.gz MJASYTMESSWVLI-ROUUACIJSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667082943 471648017 /nfs/dbraw/zinc/64/80/17/471648017.db2.gz GUXDUQFYSBCULF-PBHICJAKSA-N 2 0 334.464 2.137 10 0 EEAERP C[C@@]1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000659484208 471650322 /nfs/dbraw/zinc/65/03/22/471650322.db2.gz PRZTUDIVPLVODU-SYYJFZTOSA-N 2 0 342.487 2.092 10 0 EEAERP C[C@@]1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000659484217 471650361 /nfs/dbraw/zinc/65/03/61/471650361.db2.gz QBUOOSYNFWCRGA-LMMKCTJWSA-N 2 0 348.466 2.122 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000659493151 471654161 /nfs/dbraw/zinc/65/41/61/471654161.db2.gz QWFGEMSWACMZDD-CGTJXYLNSA-N 2 0 332.492 2.322 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(CNc3ccnc4ccncc43)cc2)C1 ZINC000664238663 471690997 /nfs/dbraw/zinc/69/09/97/471690997.db2.gz JGFXWYFQCYPQHT-QGZVFWFLSA-N 2 0 334.423 2.230 10 0 EEAERP [NH3+][C@@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000656466376 471724681 /nfs/dbraw/zinc/72/46/81/471724681.db2.gz DULVDSOBNOPSQB-TZMCWYRMSA-N 2 0 336.237 2.013 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000664867544 471884510 /nfs/dbraw/zinc/88/45/10/471884510.db2.gz YNSSVFDXYJRGKM-UHFFFAOYSA-N 2 0 333.524 2.210 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000664871091 471885347 /nfs/dbraw/zinc/88/53/47/471885347.db2.gz SSQGTWXWQUHYHZ-YJBOKZPZSA-N 2 0 332.492 2.189 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000654375050 471933473 /nfs/dbraw/zinc/93/34/73/471933473.db2.gz QWNCVBBOEOMLJT-NZSAHSFTSA-N 2 0 344.503 2.463 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000665254891 471981451 /nfs/dbraw/zinc/98/14/51/471981451.db2.gz BNRVXXZKUKUOQQ-VQIQGZIGSA-N 2 0 329.488 2.403 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281168 471989015 /nfs/dbraw/zinc/98/90/15/471989015.db2.gz WKQBTWXGZAVYGR-CZUORRHYSA-N 2 0 327.494 2.472 10 0 EEAERP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249308 472041513 /nfs/dbraw/zinc/04/15/13/472041513.db2.gz SUYGPUKBMRAVCC-DOTOQJQBSA-N 2 0 332.444 2.362 10 0 EEAERP c1cc2c(c([C@H]3CCC[N@H+]3C[C@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255287 472044267 /nfs/dbraw/zinc/04/42/67/472044267.db2.gz BUHMUGNHYKCYEV-GDBMZVCRSA-N 2 0 330.428 2.116 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662684208 472205601 /nfs/dbraw/zinc/20/56/01/472205601.db2.gz BZQYOAANZHBLBK-RBUKOAKNSA-N 2 0 337.423 2.173 10 0 EEAERP C[C@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000662687515 472207343 /nfs/dbraw/zinc/20/73/43/472207343.db2.gz ZHXCVFXWDCSIRQ-QGPMSJSTSA-N 2 0 331.460 2.312 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000662737576 472228986 /nfs/dbraw/zinc/22/89/86/472228986.db2.gz OOCGOTKQOBHSMQ-OAHLLOKOSA-N 2 0 342.443 2.263 10 0 EEAERP [NH3+]C1(CC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000662752267 472235769 /nfs/dbraw/zinc/23/57/69/472235769.db2.gz HAOWHLDPVRIOIA-UHFFFAOYSA-N 2 0 345.487 2.055 10 0 EEAERP [NH3+]C1(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000662802768 472258849 /nfs/dbraw/zinc/25/88/49/472258849.db2.gz DBWKHGHEAINUMB-QZTJIDSGSA-N 2 0 327.472 2.381 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000673771264 485524917 /nfs/dbraw/zinc/52/49/17/485524917.db2.gz GMIFHFDOGPEJFI-SJLPKXTDSA-N 2 0 332.492 2.290 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000651193770 485532771 /nfs/dbraw/zinc/53/27/71/485532771.db2.gz HBKSGTNAFIYXEE-SFHVURJKSA-N 2 0 338.540 2.338 10 0 EEAERP O=C(NCc1cn2ccccc2n1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673863671 485559866 /nfs/dbraw/zinc/55/98/66/485559866.db2.gz SRXVXJOWGKUWRI-UHFFFAOYSA-N 2 0 333.355 2.237 10 0 EEAERP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000361576437 485659766 /nfs/dbraw/zinc/65/97/66/485659766.db2.gz HPQIAHCXHAIJHR-IBGZPJMESA-N 2 0 345.487 2.009 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000683231959 486631443 /nfs/dbraw/zinc/63/14/43/486631443.db2.gz CFSKNCQIBPBTEN-OAHLLOKOSA-N 2 0 328.420 2.215 10 0 EEAERP CCC[NH+]1CCC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000124610635 490643159 /nfs/dbraw/zinc/64/31/59/490643159.db2.gz ABPGRGZJJQZOIP-UHFFFAOYSA-N 3 0 336.568 2.401 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc2)CC1 ZINC000743586555 577887497 /nfs/dbraw/zinc/88/74/97/577887497.db2.gz CEOOOWQZCOLDKF-IBGZPJMESA-N 2 0 346.519 2.145 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C[C@@H](O)Cc3ccccc3C(F)(F)F)C[C@]2(C)C1 ZINC000933735599 676840669 /nfs/dbraw/zinc/84/06/69/676840669.db2.gz JKAJBAZOWSEINN-VYDXJSESSA-N 2 0 342.405 2.492 10 0 EEAERP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccc(OC)n1 ZINC000924953178 681919225 /nfs/dbraw/zinc/91/92/25/681919225.db2.gz QAVDNNMOUYWKEH-IAGOWNOFSA-N 2 0 334.508 2.405 10 0 EEAERP CC(C)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@H](O)C(F)(F)F ZINC000894681538 683024026 /nfs/dbraw/zinc/02/40/26/683024026.db2.gz XFPQVGRNPTXLLA-KBPBESRZSA-N 2 0 328.338 2.305 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914338194 683514099 /nfs/dbraw/zinc/51/40/99/683514099.db2.gz UDCUKFGMXQKQFL-FUHWJXTLSA-N 2 0 347.507 2.106 10 0 EEAERP CCON(CC)C(=O)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000895388811 684575584 /nfs/dbraw/zinc/57/55/84/684575584.db2.gz AJYQGSOMXXSDCZ-FHWLQOOXSA-N 2 0 345.487 2.429 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000925606743 684622051 /nfs/dbraw/zinc/62/20/51/684622051.db2.gz QEJJLTCWRWWBTG-ZCNNSNEGSA-N 2 0 336.568 2.016 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCN1c1cc[nH+]cc1 ZINC000895556269 684641261 /nfs/dbraw/zinc/64/12/61/684641261.db2.gz GPTZQSDBQQGMOG-MRXNPFEDSA-N 2 0 334.427 2.373 10 0 EEAERP CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897592494 691656466 /nfs/dbraw/zinc/65/64/66/691656466.db2.gz VYSIVCMUPVWGQT-MJGOQNOKSA-N 2 0 346.519 2.409 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000924642875 693037254 /nfs/dbraw/zinc/03/72/54/693037254.db2.gz MOPAUMONTSRVBG-OALUTQOASA-N 2 0 347.503 2.106 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001485526629 1191826456 /nfs/dbraw/zinc/82/64/56/1191826456.db2.gz PYUJTDVBPIAAEC-GOEBONIOSA-N 2 0 347.478 2.412 10 0 EEAERP COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001485537131 1191827039 /nfs/dbraw/zinc/82/70/39/1191827039.db2.gz GQNIEMJBYNDCOL-MRXNPFEDSA-N 2 0 345.487 2.036 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21)c1ccccc1 ZINC001485623902 1191866516 /nfs/dbraw/zinc/86/65/16/1191866516.db2.gz TUPRFDBMYLFHNO-YSTOQKLRSA-N 2 0 341.499 2.383 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccccc3C)C[C@H]21 ZINC001485624102 1191866951 /nfs/dbraw/zinc/86/69/51/1191866951.db2.gz PYXUBVBLODSAQH-LDLYASANSA-N 2 0 329.488 2.131 10 0 EEAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001485685281 1191896927 /nfs/dbraw/zinc/89/69/27/1191896927.db2.gz RYBJKTXUHHWMNC-ZQIUZPCESA-N 2 0 333.480 2.075 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001485704301 1191898858 /nfs/dbraw/zinc/89/88/58/1191898858.db2.gz LKOXOQYNFOLLDR-BQFCYCMXSA-N 2 0 325.472 2.097 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714891 1191906080 /nfs/dbraw/zinc/90/60/80/1191906080.db2.gz OYKZZLAOGIOJKP-ZBFHGGJFSA-N 2 0 344.459 2.297 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001272726227 1192359851 /nfs/dbraw/zinc/35/98/51/1192359851.db2.gz BKKHOPZGEYPSML-SVECITPOSA-N 2 0 339.911 2.345 10 0 EEAERP CN(CC[NH2+]Cc1cccc(C(F)F)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660893 1177079117 /nfs/dbraw/zinc/07/91/17/1177079117.db2.gz VZNCVKOOFXWWFS-HNNXBMFYSA-N 2 0 325.403 2.266 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266803784 1177457241 /nfs/dbraw/zinc/45/72/41/1177457241.db2.gz QVZCBBVCHCWHJQ-OAHLLOKOSA-N 2 0 327.831 2.121 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001266825928 1177498446 /nfs/dbraw/zinc/49/84/46/1177498446.db2.gz LSGASGLSBHEKIK-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691322100 1177907360 /nfs/dbraw/zinc/90/73/60/1177907360.db2.gz WJIZGMFDHLZTSC-CQSZACIVSA-N 2 0 341.908 2.291 10 0 EEAERP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266994057 1178050662 /nfs/dbraw/zinc/05/06/62/1178050662.db2.gz ILMXEGHMOXNRJJ-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001267116475 1178279653 /nfs/dbraw/zinc/27/96/53/1178279653.db2.gz BPEWMOHONMBSJH-IBGZPJMESA-N 2 0 347.503 2.364 10 0 EEAERP Cc1nc(C)c(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C(C)C)o1 ZINC001267340574 1178789114 /nfs/dbraw/zinc/78/91/14/1178789114.db2.gz NGAPEIXGYLVEFQ-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1conc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267373107 1178884443 /nfs/dbraw/zinc/88/44/43/1178884443.db2.gz MWZLYMDJUGHOBC-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001267410901 1178973084 /nfs/dbraw/zinc/97/30/84/1178973084.db2.gz ZIRBCPJLUKSJRQ-IXDOHACOSA-N 2 0 325.472 2.308 10 0 EEAERP Cc1cnc(C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C)C2)C(C)C)s1 ZINC001267514885 1179233464 /nfs/dbraw/zinc/23/34/64/1179233464.db2.gz TYZWLFSZTCKHFB-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCN1Cc1cscn1 ZINC001481044957 1179623341 /nfs/dbraw/zinc/62/33/41/1179623341.db2.gz VSEYKKJAVOLJIU-HZPDHXFCSA-N 2 0 336.505 2.098 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481072022 1179675415 /nfs/dbraw/zinc/67/54/15/1179675415.db2.gz VFDWQWRXBNMXIR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCCc2ccccc2)CC[N@@H+]1C ZINC001481231787 1180367714 /nfs/dbraw/zinc/36/77/14/1180367714.db2.gz OWNXQMYMXWTYNZ-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@@H](O)c1ccccc1 ZINC001481287466 1180867142 /nfs/dbraw/zinc/86/71/42/1180867142.db2.gz INPIVMVNDJBMRJ-RTBURBONSA-N 2 0 347.503 2.031 10 0 EEAERP CC(C)(C(=O)NCC[C@H]1CC[N@H+](Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001481443542 1181359076 /nfs/dbraw/zinc/35/90/76/1181359076.db2.gz WXBMUGQUFWZHAU-KRWDZBQOSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001481463820 1181471474 /nfs/dbraw/zinc/47/14/74/1181471474.db2.gz HZQNIQLDAZFCDV-GOSISDBHSA-N 2 0 344.503 2.122 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2cnc[nH]2)oc1C ZINC001268159710 1181871390 /nfs/dbraw/zinc/87/13/90/1181871390.db2.gz DBFFTLUPSTVJFW-MRXNPFEDSA-N 2 0 345.447 2.118 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccn2)C1 ZINC001268164642 1181890406 /nfs/dbraw/zinc/89/04/06/1181890406.db2.gz YEDDABWHWLFZJM-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001481656074 1182141148 /nfs/dbraw/zinc/14/11/48/1182141148.db2.gz NQBSZDRWCHQLND-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC001268375644 1182391214 /nfs/dbraw/zinc/39/12/14/1182391214.db2.gz VXXOCPMZYLBTNQ-CZUORRHYSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2c(o1)CCCC2)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379928 1182405965 /nfs/dbraw/zinc/40/59/65/1182405965.db2.gz WJOBRQZJSANHEU-GOEBONIOSA-N 2 0 348.491 2.022 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439376 1182614776 /nfs/dbraw/zinc/61/47/76/1182614776.db2.gz OKYNGGCUXIDPNF-FXAWDEMLSA-N 2 0 343.515 2.324 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451650 1182646407 /nfs/dbraw/zinc/64/64/07/1182646407.db2.gz NRIRWVSFBUGIFN-NVXWUHKLSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)o1 ZINC001481856192 1182816670 /nfs/dbraw/zinc/81/66/70/1182816670.db2.gz PXQZWKZWILGQPS-HOCLYGCPSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cc(C[NH2+]CC2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)on1 ZINC001481906156 1182933578 /nfs/dbraw/zinc/93/35/78/1182933578.db2.gz XVSYPZWRDKLNTM-HOTGVXAUSA-N 2 0 348.491 2.232 10 0 EEAERP COc1ccc(CC[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001482023264 1183151958 /nfs/dbraw/zinc/15/19/58/1183151958.db2.gz RWPZKQZRBOTMQG-IYARVYRRSA-N 2 0 347.503 2.206 10 0 EEAERP C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001482027693 1183156835 /nfs/dbraw/zinc/15/68/35/1183156835.db2.gz LTUUEWFRNHEOQB-BZSNNMDCSA-N 2 0 339.524 2.040 10 0 EEAERP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268618839 1183533732 /nfs/dbraw/zinc/53/37/32/1183533732.db2.gz PDFMSOOPFXIFRX-FBQMEGEOSA-N 2 0 327.472 2.243 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001268626187 1183545238 /nfs/dbraw/zinc/54/52/38/1183545238.db2.gz YVNBDUDYYPHFTC-UPHRSURJSA-N 2 0 329.435 2.170 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268639251 1183568851 /nfs/dbraw/zinc/56/88/51/1183568851.db2.gz FGLSUJWVCCFXIQ-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268697469 1183618580 /nfs/dbraw/zinc/61/85/80/1183618580.db2.gz DBCSBTXXSQKUAE-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268734176 1183653632 /nfs/dbraw/zinc/65/36/32/1183653632.db2.gz AWLINPHELGVQSP-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccnc1C ZINC001268795346 1183712467 /nfs/dbraw/zinc/71/24/67/1183712467.db2.gz HHJMYKGGEOYUKZ-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001268821652 1183741305 /nfs/dbraw/zinc/74/13/05/1183741305.db2.gz FJDRNHARMWAMPM-BPUTZDHNSA-N 2 0 336.480 2.212 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269741886 1184576734 /nfs/dbraw/zinc/57/67/34/1184576734.db2.gz QIQGDDGDVNNHMZ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001280220178 1185086976 /nfs/dbraw/zinc/08/69/76/1185086976.db2.gz VVWVPZBKUFXHFU-MPUHIQPUSA-N 2 0 327.900 2.299 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CCc1ccccc1 ZINC001270478617 1185121487 /nfs/dbraw/zinc/12/14/87/1185121487.db2.gz SRMULYQTIDQPGV-KRWDZBQOSA-N 2 0 331.504 2.445 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482296833 1185167575 /nfs/dbraw/zinc/16/75/75/1185167575.db2.gz AEEIKELBIMLNBO-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001270594694 1185193829 /nfs/dbraw/zinc/19/38/29/1185193829.db2.gz IRXPOJLWEWIGLZ-OAHLLOKOSA-N 2 0 337.895 2.320 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001270600049 1185194729 /nfs/dbraw/zinc/19/47/29/1185194729.db2.gz SGNXBENLAAUZFR-PKOBYXMFSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737991 1185356874 /nfs/dbraw/zinc/35/68/74/1185356874.db2.gz XTBZRCLQMTVKJA-AEFFLSMTSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001482448327 1185796353 /nfs/dbraw/zinc/79/63/53/1185796353.db2.gz IIYXEAYKMAHJPA-QCIUQGPCSA-N 2 0 327.900 2.440 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]Cc1cncs1)C12CC[NH+](CC1)C2 ZINC001482459351 1185918435 /nfs/dbraw/zinc/91/84/35/1185918435.db2.gz XGWFXYSBJQIOQZ-HNNXBMFYSA-N 2 0 348.516 2.100 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001482459434 1185919152 /nfs/dbraw/zinc/91/91/52/1185919152.db2.gz YZSORTDCVPWWHY-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001271576794 1186319648 /nfs/dbraw/zinc/31/96/48/1186319648.db2.gz PDRMDHLICWEXHH-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485824000 1193450082 /nfs/dbraw/zinc/45/00/82/1193450082.db2.gz FHCFMVZSJLQBFZ-QANKJYHBSA-N 2 0 348.491 2.040 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1F ZINC001482569818 1186904086 /nfs/dbraw/zinc/90/40/86/1186904086.db2.gz HEZUWRZHXRLBFE-CXAGYDPISA-N 2 0 339.430 2.147 10 0 EEAERP COc1cc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)ccc1C ZINC001482569647 1186904270 /nfs/dbraw/zinc/90/42/70/1186904270.db2.gz CXBFFIBQYYKCKT-SFHVURJKSA-N 2 0 347.503 2.330 10 0 EEAERP CN(CC[N@H+](C)CCc1c(F)cccc1Cl)C(=O)CC[NH+](C)C ZINC001482625112 1187450173 /nfs/dbraw/zinc/45/01/73/1187450173.db2.gz JUGISFRHTVFJQO-UHFFFAOYSA-N 2 0 343.874 2.364 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)CC[NH+]1CCCCC1 ZINC001482650355 1187481562 /nfs/dbraw/zinc/48/15/62/1187481562.db2.gz SHABASQVYXVUHH-GOSISDBHSA-N 2 0 339.524 2.212 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001482685813 1187653889 /nfs/dbraw/zinc/65/38/89/1187653889.db2.gz HTWRAULHUKKUNZ-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCF)cc1 ZINC001482689858 1187664435 /nfs/dbraw/zinc/66/44/35/1187664435.db2.gz RIRTUDYLWRZGBG-MSOLQXFVSA-N 2 0 335.467 2.248 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001482859816 1187781721 /nfs/dbraw/zinc/78/17/21/1187781721.db2.gz BLEWJAWBVRGIFC-IEBWSBKVSA-N 2 0 347.503 2.261 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001482868071 1187788161 /nfs/dbraw/zinc/78/81/61/1187788161.db2.gz PHOTXWTXUKXASU-DGCLKSJQSA-N 2 0 346.928 2.367 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C)nc1C ZINC001483015270 1188002144 /nfs/dbraw/zinc/00/21/44/1188002144.db2.gz HFRUNVYEYLMHMF-ZMBJWTFHSA-N 2 0 344.503 2.335 10 0 EEAERP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001691555609 1188258333 /nfs/dbraw/zinc/25/83/33/1188258333.db2.gz HOVVKLUBQDSQMH-YFHOEESVSA-N 2 0 326.444 2.449 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCCCCF)CC[C@@H]3C2)C1 ZINC001691578643 1188276081 /nfs/dbraw/zinc/27/60/81/1188276081.db2.gz HHPDJECSJSFFNX-KURKYZTESA-N 2 0 339.499 2.248 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCOc1ccccc1C ZINC001691622958 1188323089 /nfs/dbraw/zinc/32/30/89/1188323089.db2.gz FZZZZESNEDKNGH-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483098208 1188474069 /nfs/dbraw/zinc/47/40/69/1188474069.db2.gz PMEBKAMBWHKDJD-XFHJGTJQSA-N 2 0 348.491 2.174 10 0 EEAERP Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c(C)o1 ZINC001483135492 1188675273 /nfs/dbraw/zinc/67/52/73/1188675273.db2.gz GVJYZTDTSKADQM-FZKQIMNGSA-N 2 0 348.491 2.293 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348541 1189556377 /nfs/dbraw/zinc/55/63/77/1189556377.db2.gz DKYJGCNQJJXBHH-CVEARBPZSA-N 2 0 332.492 2.247 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001485875274 1193627324 /nfs/dbraw/zinc/62/73/24/1193627324.db2.gz KKPJSZZBROXJQJ-YLJYHZDGSA-N 2 0 343.515 2.316 10 0 EEAERP CC(C)c1ocnc1CN[C@H](C)[C@H](C)NC(=O)CCn1ccnc1 ZINC001409388595 1189610417 /nfs/dbraw/zinc/61/04/17/1189610417.db2.gz SWPHZWMUUZUURF-KGLIPLIRSA-N 2 0 333.436 2.068 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001409411049 1189638248 /nfs/dbraw/zinc/63/82/48/1189638248.db2.gz NVAVYEWBUGVGJP-QWHCGFSZSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001409427320 1189661779 /nfs/dbraw/zinc/66/17/79/1189661779.db2.gz XCSNCMNONVLBOU-HOTGVXAUSA-N 2 0 347.503 2.084 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485918994 1193639690 /nfs/dbraw/zinc/63/96/90/1193639690.db2.gz FRWCFLVFASLVOW-MLGOLLRUSA-N 2 0 340.537 2.283 10 0 EEAERP CCN1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC2CCCCCC2)C1 ZINC001409685955 1190186903 /nfs/dbraw/zinc/18/69/03/1190186903.db2.gz AUPBSNUVUBDQPN-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nsc2ccccc12 ZINC001483296379 1190323222 /nfs/dbraw/zinc/32/32/22/1190323222.db2.gz GTANEEFEQCJJKS-ZDUSSCGKSA-N 2 0 334.489 2.231 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483379180 1190423402 /nfs/dbraw/zinc/42/34/02/1190423402.db2.gz SDDSCMILFDCABW-UONOGXRCSA-N 2 0 331.451 2.200 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483455934 1190484963 /nfs/dbraw/zinc/48/49/63/1190484963.db2.gz IMRORQHIBCVASW-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001483510435 1190522145 /nfs/dbraw/zinc/52/21/45/1190522145.db2.gz JYNWUNNXOQVXMO-ROUUACIJSA-N 2 0 347.503 2.154 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001483570830 1190560263 /nfs/dbraw/zinc/56/02/63/1190560263.db2.gz NQKTURDLIBRPKA-PBHICJAKSA-N 2 0 332.423 2.489 10 0 EEAERP O=C(N[C@H](C[NH2+]CC[C@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001483571201 1190560837 /nfs/dbraw/zinc/56/08/37/1190560837.db2.gz DYSUJKQCOSTIKX-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591565 1190574936 /nfs/dbraw/zinc/57/49/36/1190574936.db2.gz FKEOMQGOLVJYOG-KDOFPFPSSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483599774 1190579928 /nfs/dbraw/zinc/57/99/28/1190579928.db2.gz XACYMYCCKOHXSY-HNAYVOBHSA-N 2 0 347.478 2.460 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC001483605661 1190584117 /nfs/dbraw/zinc/58/41/17/1190584117.db2.gz PQPSKFMRCXCDMR-OALUTQOASA-N 2 0 345.462 2.393 10 0 EEAERP CO[C@H](C)C[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001409785315 1190619894 /nfs/dbraw/zinc/61/98/94/1190619894.db2.gz QIIMNIPTXMTZCW-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001486143436 1193695694 /nfs/dbraw/zinc/69/56/94/1193695694.db2.gz BVYAAPGHWGYCBC-JZXOWHBKSA-N 2 0 325.472 2.190 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001272652185 1190961556 /nfs/dbraw/zinc/96/15/56/1190961556.db2.gz JWWPOAMQEYWSCJ-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CC[NH+](CCCOC)C1 ZINC001483800752 1191042214 /nfs/dbraw/zinc/04/22/14/1191042214.db2.gz BONVSDDOKFANOH-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484122797 1191226633 /nfs/dbraw/zinc/22/66/33/1191226633.db2.gz VRVGBAHVSZQNOX-PXNSSMCTSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1c(C)noc1C)C2 ZINC001484321667 1191304038 /nfs/dbraw/zinc/30/40/38/1191304038.db2.gz PZFHAHSMGVOTLP-ULQDDVLXSA-N 2 0 348.491 2.102 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)s1 ZINC001484345737 1191312845 /nfs/dbraw/zinc/31/28/45/1191312845.db2.gz GCQGEWMFMGMGGL-HIFRSBDPSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484351983 1191314466 /nfs/dbraw/zinc/31/44/66/1191314466.db2.gz HLFKJMZDTFPIRS-JKSUJKDBSA-N 2 0 347.528 2.213 10 0 EEAERP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001484413701 1191339979 /nfs/dbraw/zinc/33/99/79/1191339979.db2.gz TXJHLRCRPLABJR-OKZBNKHCSA-N 2 0 333.520 2.155 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccccn1 ZINC001484464923 1191369338 /nfs/dbraw/zinc/36/93/38/1191369338.db2.gz LLCOVTCDINHGMR-MOPGFXCFSA-N 2 0 344.503 2.379 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(C2CC2)no1 ZINC001484466265 1191370235 /nfs/dbraw/zinc/37/02/35/1191370235.db2.gz XDUBHSNGJZNGBV-ZWKOTPCHSA-N 2 0 346.475 2.069 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001484524517 1191398025 /nfs/dbraw/zinc/39/80/25/1191398025.db2.gz IOZOPPWFVKSDLR-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cncs2)C1)[NH+](C)C ZINC001484550512 1191409866 /nfs/dbraw/zinc/40/98/66/1191409866.db2.gz UGHLFNZZPKZZDO-GOEBONIOSA-N 2 0 338.521 2.058 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001484830610 1191538129 /nfs/dbraw/zinc/53/81/29/1191538129.db2.gz PTUPIWGXJPSPDN-GOSISDBHSA-N 2 0 325.472 2.146 10 0 EEAERP CCC1([NH2+]Cc2ncccc2C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819335 1191539594 /nfs/dbraw/zinc/53/95/94/1191539594.db2.gz MXVCJGLPVQPQGQ-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1ccns1 ZINC001485163692 1191675379 /nfs/dbraw/zinc/67/53/79/1191675379.db2.gz PYFNSWWLMACCQR-UONOGXRCSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001485215610 1191688656 /nfs/dbraw/zinc/68/86/56/1191688656.db2.gz MLWLOEXUAMEQNY-LSDHHAIUSA-N 2 0 349.906 2.461 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001485205456 1191692616 /nfs/dbraw/zinc/69/26/16/1191692616.db2.gz NZIQQJQOPSERRS-QZTJIDSGSA-N 2 0 347.503 2.280 10 0 EEAERP Cc1ccccc1OCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485288953 1191721048 /nfs/dbraw/zinc/72/10/48/1191721048.db2.gz XUTOSRFXHHZPOT-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CCc1nocc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485301270 1191726415 /nfs/dbraw/zinc/72/64/15/1191726415.db2.gz VDZMHAQWWVDYLC-YOEHRIQHSA-N 2 0 336.480 2.046 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001486209659 1193750030 /nfs/dbraw/zinc/75/00/30/1193750030.db2.gz AGUYXSLLVMBPBI-TZMCWYRMSA-N 2 0 335.414 2.155 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC001486241180 1193767459 /nfs/dbraw/zinc/76/74/59/1193767459.db2.gz STXNNTBIKOXIGT-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CN(Cc2cccc(F)c2)CC1(C)C)[NH+](C)C ZINC001410017229 1197279397 /nfs/dbraw/zinc/27/93/97/1197279397.db2.gz JEIMCJSAZPJCPO-IRXDYDNUSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1F ZINC001410434064 1197881927 /nfs/dbraw/zinc/88/19/27/1197881927.db2.gz KIQNSPYVOMBPLM-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000872020519 1198027914 /nfs/dbraw/zinc/02/79/14/1198027914.db2.gz HWSFQAFTOCGBNG-FGTMMUONSA-N 2 0 325.541 2.442 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCOC1 ZINC000872022175 1198028310 /nfs/dbraw/zinc/02/83/10/1198028310.db2.gz HISZKXXNPXTQFB-QZTJIDSGSA-N 2 0 332.492 2.128 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C ZINC000872145945 1198053815 /nfs/dbraw/zinc/05/38/15/1198053815.db2.gz ZVVJMTFYOVTBED-JENIJYKNSA-N 2 0 346.471 2.500 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001410505778 1198063344 /nfs/dbraw/zinc/06/33/44/1198063344.db2.gz KLMKUJXIFDMWNO-INIZCTEOSA-N 2 0 347.503 2.036 10 0 EEAERP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254842 1198113319 /nfs/dbraw/zinc/11/33/19/1198113319.db2.gz DNAPSLQPEPKTCG-QBIMZIAESA-N 2 0 341.411 2.108 10 0 EEAERP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000865416376 1198206683 /nfs/dbraw/zinc/20/66/83/1198206683.db2.gz ZFPIQFYAWPSZQQ-MRXNPFEDSA-N 2 0 341.496 2.088 10 0 EEAERP CC(C)c1nc2[nH]ccc2c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866010986 1198453779 /nfs/dbraw/zinc/45/37/79/1198453779.db2.gz QURMRHCZEYGVIG-HUUCEWRRSA-N 2 0 344.507 2.257 10 0 EEAERP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001410840575 1198489215 /nfs/dbraw/zinc/48/92/15/1198489215.db2.gz DNCNHFGLWDTKQX-WBVHZDCISA-N 2 0 333.476 2.114 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001410891156 1198545180 /nfs/dbraw/zinc/54/51/80/1198545180.db2.gz SCIXTTUMCAQJHI-JZXOWHBKSA-N 2 0 327.488 2.436 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncc(C)o3)[C@H]2C1 ZINC001410912756 1198566652 /nfs/dbraw/zinc/56/66/52/1198566652.db2.gz FZPVUAPJZGGLLH-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)OCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001411232045 1198942057 /nfs/dbraw/zinc/94/20/57/1198942057.db2.gz HVBFMDQAFZNCQH-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@@H]21 ZINC000810580040 1199605119 /nfs/dbraw/zinc/60/51/19/1199605119.db2.gz LOEBGUXMPPXKLX-RVKKMQEKSA-N 2 0 325.472 2.142 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870017183 1200409546 /nfs/dbraw/zinc/40/95/46/1200409546.db2.gz ILCNCAHMFPOMCO-CHWSQXEVSA-N 2 0 337.430 2.163 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3ccsc3c2)C[C@H]1C[NH+](C)C ZINC000870020919 1200411545 /nfs/dbraw/zinc/41/15/45/1200411545.db2.gz IOZJMMKDBHSLRY-HUUCEWRRSA-N 2 0 346.500 2.108 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870853870 1200912146 /nfs/dbraw/zinc/91/21/46/1200912146.db2.gz GBCUYFLGUUWPFP-CYBMUJFWSA-N 2 0 342.281 2.153 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000870858821 1200915973 /nfs/dbraw/zinc/91/59/73/1200915973.db2.gz HIIPURIUDYMGJF-UHFFFAOYSA-N 2 0 345.462 2.392 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870948135 1200971270 /nfs/dbraw/zinc/97/12/70/1200971270.db2.gz FYODRXIPKOMRRI-UHFFFAOYSA-N 2 0 338.521 2.318 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)C[C@H]1C[NH+](C)C ZINC000866041093 1201412065 /nfs/dbraw/zinc/41/20/65/1201412065.db2.gz NOUYAXGEAPFBGF-CHWSQXEVSA-N 2 0 340.418 2.168 10 0 EEAERP Cc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(OCC[NH+](C)C)c1 ZINC000868126066 1201748760 /nfs/dbraw/zinc/74/87/60/1201748760.db2.gz PFVWNXJAHIVYKL-WBVHZDCISA-N 2 0 346.475 2.294 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCO1 ZINC000868177685 1201758379 /nfs/dbraw/zinc/75/83/79/1201758379.db2.gz DTKPLCLETMDMLV-FGTMMUONSA-N 2 0 346.475 2.076 10 0 EEAERP CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186744 1201759872 /nfs/dbraw/zinc/75/98/72/1201759872.db2.gz QWHZJTFWKWVEKR-ZWKOTPCHSA-N 2 0 348.491 2.323 10 0 EEAERP CC(C)[N@H+](C)CCNC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000868218653 1201767890 /nfs/dbraw/zinc/76/78/90/1201767890.db2.gz ISXSESJSVVVWIC-UHFFFAOYSA-N 2 0 346.519 2.289 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000717614018 1204276063 /nfs/dbraw/zinc/27/60/63/1204276063.db2.gz KTXZXFFDRLXXOW-UHFFFAOYSA-N 2 0 325.460 2.403 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCc1cccs1)C12CCC[NH+]1CCC2 ZINC001274164002 1204423637 /nfs/dbraw/zinc/42/36/37/1204423637.db2.gz RHFURYJEROBUHC-UPHRSURJSA-N 2 0 333.501 2.181 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274430651 1205033832 /nfs/dbraw/zinc/03/38/32/1205033832.db2.gz QPJALBKCIQQCTC-XVXNLHAJSA-N 2 0 342.487 2.169 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274430649 1205033863 /nfs/dbraw/zinc/03/38/63/1205033863.db2.gz QPJALBKCIQQCTC-GDIRUBCPSA-N 2 0 342.487 2.169 10 0 EEAERP Cc1ccc(CCC[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001274578682 1205086268 /nfs/dbraw/zinc/08/62/68/1205086268.db2.gz MEPZFFJGADGZOI-RTLBZRNLSA-N 2 0 329.488 2.141 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001275129347 1205263740 /nfs/dbraw/zinc/26/37/40/1205263740.db2.gz SMDZYBOSJYSLGM-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccnc(Cl)c1 ZINC001275705883 1205492466 /nfs/dbraw/zinc/49/24/66/1205492466.db2.gz BNQDDLJVCBPHII-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC001276190945 1205825673 /nfs/dbraw/zinc/82/56/73/1205825673.db2.gz ZPKBCGVVFFLBJG-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000924928749 1206052207 /nfs/dbraw/zinc/05/22/07/1206052207.db2.gz ZGQZDGPKDLXWQH-AMFJVREVSA-N 2 0 328.378 2.366 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925327434 1206097744 /nfs/dbraw/zinc/09/77/44/1206097744.db2.gz QJBSKKZBCUHZTB-NEWSRXKRSA-N 2 0 344.503 2.385 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000925394653 1206106252 /nfs/dbraw/zinc/10/62/52/1206106252.db2.gz WADFLEVBLIZZPV-XEWABKELSA-N 2 0 327.472 2.286 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925579449 1206131361 /nfs/dbraw/zinc/13/13/61/1206131361.db2.gz DVXQJISGDJJHFG-ZNMIVQPWSA-N 2 0 331.460 2.296 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925597372 1206134003 /nfs/dbraw/zinc/13/40/03/1206134003.db2.gz YSUXVOGPGSWNCY-PMACEKPBSA-N 2 0 342.531 2.448 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1OCCO ZINC000925613532 1206136127 /nfs/dbraw/zinc/13/61/27/1206136127.db2.gz RYGMXFCCABBJDS-QZTJIDSGSA-N 2 0 348.487 2.324 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650136 1206139821 /nfs/dbraw/zinc/13/98/21/1206139821.db2.gz MSMUZJHLVZVVJY-KSZLIROESA-N 2 0 331.529 2.464 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)ccn1 ZINC000925651852 1206140325 /nfs/dbraw/zinc/14/03/25/1206140325.db2.gz BBPWOHMQJNUIGZ-MSOLQXFVSA-N 2 0 332.492 2.129 10 0 EEAERP C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792775 1206154315 /nfs/dbraw/zinc/15/43/15/1206154315.db2.gz HAGXXZBLWOHGRR-HOCLYGCPSA-N 2 0 332.444 2.267 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925803285 1206155364 /nfs/dbraw/zinc/15/53/64/1206155364.db2.gz WUBRNYNVKADTJW-LMNGEROHSA-N 2 0 328.522 2.100 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000925836437 1206158792 /nfs/dbraw/zinc/15/87/92/1206158792.db2.gz KRICNVOVUWIQDR-RBUKOAKNSA-N 2 0 331.504 2.385 10 0 EEAERP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)C ZINC000925849066 1206160060 /nfs/dbraw/zinc/16/00/60/1206160060.db2.gz HGSJLOYDANJBJR-HIFRSBDPSA-N 2 0 334.464 2.108 10 0 EEAERP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852993 1206160971 /nfs/dbraw/zinc/16/09/71/1206160971.db2.gz JDLYNXGGGQDSIX-CABCVRRESA-N 2 0 332.444 2.340 10 0 EEAERP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925854504 1206161377 /nfs/dbraw/zinc/16/13/77/1206161377.db2.gz RTQMWJPEMMCOOU-VKJFTORMSA-N 2 0 346.471 2.462 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925899330 1206165479 /nfs/dbraw/zinc/16/54/79/1206165479.db2.gz DNBPSUNXZWRUDS-GOSISDBHSA-N 2 0 347.507 2.058 10 0 EEAERP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000926134587 1206196904 /nfs/dbraw/zinc/19/69/04/1206196904.db2.gz KVEQMJSPYXXVHS-LPHOPBHVSA-N 2 0 329.488 2.322 10 0 EEAERP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926155564 1206199448 /nfs/dbraw/zinc/19/94/48/1206199448.db2.gz LKQXECJBJRRWQG-CVEARBPZSA-N 2 0 334.489 2.107 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000927774361 1206301406 /nfs/dbraw/zinc/30/14/06/1206301406.db2.gz RYMNEJZEBGFELM-KURKYZTESA-N 2 0 333.451 2.342 10 0 EEAERP CN(CCC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1cc[nH+]cc1 ZINC000928832066 1206425453 /nfs/dbraw/zinc/42/54/53/1206425453.db2.gz PCTGMAUQTQFBBK-GOSISDBHSA-N 2 0 341.459 2.112 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000928833031 1206425775 /nfs/dbraw/zinc/42/57/75/1206425775.db2.gz XGHATWIEKRWHRN-ROUUACIJSA-N 2 0 330.476 2.208 10 0 EEAERP OC1(CC[NH2+]CC[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717939801 1211638667 /nfs/dbraw/zinc/63/86/67/1211638667.db2.gz UECBOZRNJIPZRZ-IBGZPJMESA-N 2 0 332.488 2.420 10 0 EEAERP Cc1cc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000718012852 1211701461 /nfs/dbraw/zinc/70/14/61/1211701461.db2.gz YEODCWOXNJDALE-UHFFFAOYSA-N 2 0 342.487 2.235 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2cccnc2)CC1 ZINC001276311955 1215690960 /nfs/dbraw/zinc/69/09/60/1215690960.db2.gz ZUOTUWWUAOSQET-UHFFFAOYSA-N 2 0 332.492 2.140 10 0 EEAERP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001413048110 1217393518 /nfs/dbraw/zinc/39/35/18/1217393518.db2.gz SWVOQAGMIHZHIY-UFYCRDLUSA-N 2 0 338.536 2.485 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000902793361 1238544350 /nfs/dbraw/zinc/54/43/50/1238544350.db2.gz IKIYBZUFRPVYKT-DLBZAZTESA-N 2 0 327.476 2.159 10 0 EEAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1COc2ccccc2C1 ZINC000902800936 1238564825 /nfs/dbraw/zinc/56/48/25/1238564825.db2.gz XQHQMXJLSWFLFN-YTQUADARSA-N 2 0 332.488 2.453 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000902958128 1239192943 /nfs/dbraw/zinc/19/29/43/1239192943.db2.gz NZGUPOVGTRPIHS-AEFFLSMTSA-N 2 0 347.507 2.248 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000903433229 1240459724 /nfs/dbraw/zinc/45/97/24/1240459724.db2.gz WCUXSVNKDVAGKX-HZSPNIEDSA-N 2 0 346.393 2.232 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)C1 ZINC000903434827 1240463406 /nfs/dbraw/zinc/46/34/06/1240463406.db2.gz LDBZJHVGAGMAPH-RBUKOAKNSA-N 2 0 329.488 2.281 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)C1 ZINC000903439688 1240477597 /nfs/dbraw/zinc/47/75/97/1240477597.db2.gz LPDWTXIULINUSX-QWHCGFSZSA-N 2 0 333.457 2.380 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000903491866 1240654390 /nfs/dbraw/zinc/65/43/90/1240654390.db2.gz DGZDGCUHDLBCJX-LZWOXQAQSA-N 2 0 342.361 2.418 10 0 EEAERP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496755 1240675478 /nfs/dbraw/zinc/67/54/78/1240675478.db2.gz BUDMVECZNXLRDN-OWCLPIDISA-N 2 0 333.476 2.131 10 0 EEAERP Fc1ccc(-c2noc(CC3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)n2)nc1 ZINC000903565971 1240960379 /nfs/dbraw/zinc/96/03/79/1240960379.db2.gz WFMIKTYXTZACDE-AWEZNQCLSA-N 2 0 345.422 2.135 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903934044 1242561563 /nfs/dbraw/zinc/56/15/63/1242561563.db2.gz ZMJSJQYPICZWAL-BPUTZDHNSA-N 2 0 327.419 2.103 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)cnn1C ZINC000903937119 1242581704 /nfs/dbraw/zinc/58/17/04/1242581704.db2.gz BODQDUQPIZQIOS-UWJYYQICSA-N 2 0 338.499 2.436 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCCC[NH+]2CCCCC2)cnn1C ZINC000903947781 1242661550 /nfs/dbraw/zinc/66/15/50/1242661550.db2.gz HQJHQJHTYZJNOL-SFHVURJKSA-N 3 0 335.540 2.044 10 0 EEAERP COC(=O)COc1c(C)cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000903976986 1242825878 /nfs/dbraw/zinc/82/58/78/1242825878.db2.gz GQWZDLKHSPROKT-NVXWUHKLSA-N 2 0 334.460 2.272 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001490924679 1258485613 /nfs/dbraw/zinc/48/56/13/1258485613.db2.gz KKOATLOQUHGVRY-SHTZXODSSA-N 2 0 325.403 2.313 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490953990 1258505531 /nfs/dbraw/zinc/50/55/31/1258505531.db2.gz COCLHIUEUHBTBM-WGSAOQKQSA-N 2 0 329.488 2.260 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001490959696 1258511163 /nfs/dbraw/zinc/51/11/63/1258511163.db2.gz CBNCRKYDFOCRIJ-XLAORIBOSA-N 2 0 337.508 2.057 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCCCF)CC[C@H]21 ZINC001490982631 1258535852 /nfs/dbraw/zinc/53/58/52/1258535852.db2.gz MMLCFQONVXHXEU-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001491069682 1258636783 /nfs/dbraw/zinc/63/67/83/1258636783.db2.gz LXCGABZJAUKULX-MWDXBVQZSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001491170232 1258738011 /nfs/dbraw/zinc/73/80/11/1258738011.db2.gz UJRWUNBIUFRBQP-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001491228839 1258814525 /nfs/dbraw/zinc/81/45/25/1258814525.db2.gz IZBVRSOHAKAFHJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC001491299884 1258924446 /nfs/dbraw/zinc/92/44/46/1258924446.db2.gz JXEMOWCGWWLBEB-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(NC1CCC([NH2+]CCCF)CC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001491354435 1258987010 /nfs/dbraw/zinc/98/70/10/1258987010.db2.gz LJMSHVOYSXWBSF-UHFFFAOYSA-N 2 0 345.422 2.258 10 0 EEAERP CCCCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001273656226 1282424267 /nfs/dbraw/zinc/42/42/67/1282424267.db2.gz WUMUYKHCKSLTHM-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)CC[NH+]1CCCCC1 ZINC001273765875 1285160230 /nfs/dbraw/zinc/16/02/30/1285160230.db2.gz SURALDZZNPQDGC-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001489097231 1290368396 /nfs/dbraw/zinc/36/83/96/1290368396.db2.gz UPOCHYUSOKNLNP-KGLIPLIRSA-N 2 0 337.430 2.355 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001490307094 1291152441 /nfs/dbraw/zinc/15/24/41/1291152441.db2.gz QWKOVUUVXFTMJK-CZUORRHYSA-N 2 0 336.480 2.102 10 0 EEAERP 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CC(C)COCCN1CC[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001276875657 1300037349 /nfs/dbraw/zinc/03/73/49/1300037349.db2.gz OUUOYQGJPXRVIC-OAHLLOKOSA-N 2 0 330.432 2.040 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2F)C1)C1CCC1 ZINC001276995735 1300731544 /nfs/dbraw/zinc/73/15/44/1300731544.db2.gz NVVGOPDXDZGTSX-JCNLHEQBSA-N 2 0 347.478 2.337 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000694751948 1304134390 /nfs/dbraw/zinc/13/43/90/1304134390.db2.gz KWYXDRMAYVJMOP-VTHDOGFWSA-N 2 0 342.531 2.017 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001277827856 1304710493 /nfs/dbraw/zinc/71/04/93/1304710493.db2.gz YCDYMFKVJQKJAZ-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(C2CC2)C2CC[NH2+]CC2)cc(Cl)n1 ZINC000841847113 1315621954 /nfs/dbraw/zinc/62/19/54/1315621954.db2.gz ZJOVRXXSSIXVGM-OAHLLOKOSA-N 2 0 336.867 2.176 10 0 EEAERP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398016 1315907255 /nfs/dbraw/zinc/90/72/55/1315907255.db2.gz RWJILUVTNRBJLI-CVEARBPZSA-N 2 0 343.512 2.190 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)cc1 ZINC001279003274 1318970935 /nfs/dbraw/zinc/97/09/35/1318970935.db2.gz VMRQIIJGLYPOOT-QGZVFWFLSA-N 2 0 337.483 2.494 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001263993327 1322579887 /nfs/dbraw/zinc/57/98/87/1322579887.db2.gz AHELVVMAPPBCCK-HZSPNIEDSA-N 2 0 337.430 2.496 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001264430851 1322700102 /nfs/dbraw/zinc/70/01/02/1322700102.db2.gz PHHZJVKTKGKXFH-CTYIDZIISA-N 2 0 338.883 2.061 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)co1 ZINC001264520496 1322723905 /nfs/dbraw/zinc/72/39/05/1322723905.db2.gz MAZRLMUJTGFJSL-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CCOCC1 ZINC001264623839 1322753063 /nfs/dbraw/zinc/75/30/63/1322753063.db2.gz 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ZINC001282957879 1325853184 /nfs/dbraw/zinc/85/31/84/1325853184.db2.gz JGRYLNWLDRTUFQ-KSZLIROESA-N 2 0 333.520 2.489 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001283101074 1325919534 /nfs/dbraw/zinc/91/95/34/1325919534.db2.gz DAKBNICGBRTTHV-CTYIDZIISA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCCC(F)(F)F ZINC001283611740 1326162107 /nfs/dbraw/zinc/16/21/07/1326162107.db2.gz KAUVJRBCGVAMAU-ZFWWWQNUSA-N 2 0 349.441 2.497 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001283939541 1326329407 /nfs/dbraw/zinc/32/94/07/1326329407.db2.gz MVEFEGAYBIMLNO-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001284602851 1326626162 /nfs/dbraw/zinc/62/61/62/1326626162.db2.gz FGVVRSXWVDXBSA-IAGOWNOFSA-N 2 0 341.540 2.264 10 0 EEAERP COCCCC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001284686417 1326666687 /nfs/dbraw/zinc/66/66/87/1326666687.db2.gz PRCIKZLFNZAJGE-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491887484 1330289918 /nfs/dbraw/zinc/28/99/18/1330289918.db2.gz YRBOHKYNLQMDSD-DLBZAZTESA-N 2 0 333.476 2.164 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC001491891742 1330291937 /nfs/dbraw/zinc/29/19/37/1330291937.db2.gz NPNZOZUZEOHZQN-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCCF)C12CCC[NH+]1CCC2 ZINC001492160162 1331023862 /nfs/dbraw/zinc/02/38/62/1331023862.db2.gz QXPGCZCKHLPKBC-MRXNPFEDSA-N 2 0 325.472 2.335 10 0 EEAERP Cc1csc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2ncc[nH]2)n1 ZINC001492170307 1331046440 /nfs/dbraw/zinc/04/64/40/1331046440.db2.gz CIHHJQBSQWDGNY-CQSZACIVSA-N 2 0 347.488 2.278 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCC(F)(F)F)C1 ZINC001492177512 1331056343 /nfs/dbraw/zinc/05/63/43/1331056343.db2.gz HEBRXMBXFVAHMU-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001316689123 1331340077 /nfs/dbraw/zinc/34/00/77/1331340077.db2.gz SGKGZQMVJNDYFW-RDJZCZTQSA-N 2 0 348.491 2.123 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001316836243 1331923830 /nfs/dbraw/zinc/92/38/30/1331923830.db2.gz VDENYBAUUZGZPY-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)CC1CC1 ZINC001316894837 1331960985 /nfs/dbraw/zinc/96/09/85/1331960985.db2.gz FKTPNYGEQPUHDZ-UHFFFAOYSA-N 2 0 327.432 2.119 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ncccc1C ZINC001316903558 1331969523 /nfs/dbraw/zinc/96/95/23/1331969523.db2.gz KCOVXNWAORGNNL-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001317174422 1332113276 /nfs/dbraw/zinc/11/32/76/1332113276.db2.gz SIACAFVPGSXYDP-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001317241889 1332149292 /nfs/dbraw/zinc/14/92/92/1332149292.db2.gz OGKLWAJAMPWJBH-PXNSSMCTSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]Cc1ccsc1 ZINC001317252284 1332153480 /nfs/dbraw/zinc/15/34/80/1332153480.db2.gz LZOPEDPRNHIIMX-ZDUSSCGKSA-N 2 0 341.440 2.237 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001317344594 1332187798 /nfs/dbraw/zinc/18/77/98/1332187798.db2.gz UIKONQTZASMJIP-PMACEKPBSA-N 2 0 343.515 2.317 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccon2)CC[N@@H+]1C ZINC001317420945 1332224360 /nfs/dbraw/zinc/22/43/60/1332224360.db2.gz AJXNVUWJFIKMJU-FGTMMUONSA-N 2 0 348.491 2.266 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317427559 1332231080 /nfs/dbraw/zinc/23/10/80/1332231080.db2.gz PUTSETYVOPILQE-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317437791 1332240640 /nfs/dbraw/zinc/24/06/40/1332240640.db2.gz XKYVYKYLOHVZEA-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001317521276 1332280266 /nfs/dbraw/zinc/28/02/66/1332280266.db2.gz CAOVRNYMEVUFBN-IXDOHACOSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1C ZINC001317589227 1332311747 /nfs/dbraw/zinc/31/17/47/1332311747.db2.gz NXBSDYDFYZUUTL-RBUKOAKNSA-N 2 0 346.519 2.031 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317599384 1332319000 /nfs/dbraw/zinc/31/90/00/1332319000.db2.gz UJZFUKFPTKJSQX-NVXWUHKLSA-N 2 0 348.491 2.110 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600589 1332319358 /nfs/dbraw/zinc/31/93/58/1332319358.db2.gz LAPHVTJMFMRJAH-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)CCC[NH+]1CCCC1 ZINC001318759811 1332590080 /nfs/dbraw/zinc/59/00/80/1332590080.db2.gz QGRNSTHYBXWCOZ-SJLPKXTDSA-N 2 0 327.488 2.487 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001318802044 1332600027 /nfs/dbraw/zinc/60/00/27/1332600027.db2.gz AKWCXKLLKXYTRO-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001318819226 1332603722 /nfs/dbraw/zinc/60/37/22/1332603722.db2.gz DBDLNDBTMGPNES-CRAIPNDOSA-N 2 0 348.466 2.033 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001318830418 1332606506 /nfs/dbraw/zinc/60/65/06/1332606506.db2.gz FMPCYUNXRHAFDF-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001318846003 1332610222 /nfs/dbraw/zinc/61/02/22/1332610222.db2.gz QWUVEZXTDKZNDJ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2conc2C)C1)[NH+](C)C ZINC001318852592 1332611816 /nfs/dbraw/zinc/61/18/16/1332611816.db2.gz WYGLFTDVFIBALD-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)co1 ZINC001319787066 1332767401 /nfs/dbraw/zinc/76/74/01/1332767401.db2.gz DCZLCVWXONKSOQ-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001319794558 1332770193 /nfs/dbraw/zinc/77/01/93/1332770193.db2.gz YQDQUWKOHVUVDP-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCc1cccs1 ZINC001319860597 1332786634 /nfs/dbraw/zinc/78/66/34/1332786634.db2.gz GYORHFYVLAYROC-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320421129 1332879549 /nfs/dbraw/zinc/87/95/49/1332879549.db2.gz JLRGPZFIKNMMOL-GPMSIDNRSA-N 2 0 346.519 2.077 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)C1([NH+](C)C)CCC1 ZINC001320755494 1332946137 /nfs/dbraw/zinc/94/61/37/1332946137.db2.gz CLEPHUJYXHOTHG-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)o1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001320929595 1332981369 /nfs/dbraw/zinc/98/13/69/1332981369.db2.gz SOROZMKRTNXZQZ-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001321897061 1333175717 /nfs/dbraw/zinc/17/57/17/1333175717.db2.gz NGYLQGCKNYAQQL-PKOBYXMFSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001322081019 1333206129 /nfs/dbraw/zinc/20/61/29/1333206129.db2.gz ZSSPDPAWHZZYFI-HNNXBMFYSA-N 2 0 337.895 2.463 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)co1 ZINC001322724346 1333314479 /nfs/dbraw/zinc/31/44/79/1333314479.db2.gz PQJIBAJUFBLMPL-HNNXBMFYSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001324817415 1333766233 /nfs/dbraw/zinc/76/62/33/1333766233.db2.gz IEBAIBZSMITPTM-QFBILLFUSA-N 2 0 347.507 2.098 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001326351481 1334074292 /nfs/dbraw/zinc/07/42/92/1334074292.db2.gz WHDPMISEFSQQGE-JFBXQDQPSA-N 2 0 336.307 2.475 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCOCC)CC1 ZINC001327128361 1334229330 /nfs/dbraw/zinc/22/93/30/1334229330.db2.gz BAEJVGKQBBBYBS-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCC1([NH2+]CCOC)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001327461406 1334296835 /nfs/dbraw/zinc/29/68/35/1334296835.db2.gz GIJQFCDSEQSULP-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(Cl)n2)[C@@H](C)C1 ZINC001327942213 1334367839 /nfs/dbraw/zinc/36/78/39/1334367839.db2.gz UEKUHOQYAKGATR-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329173950 1334600854 /nfs/dbraw/zinc/60/08/54/1334600854.db2.gz SZIAQYNKXSKGRO-OLZOCXBDSA-N 2 0 326.872 2.060 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001330359602 1334828968 /nfs/dbraw/zinc/82/89/68/1334828968.db2.gz JSBKIUAWYDMRRN-NNZMDNLPSA-N 2 0 335.536 2.449 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806215 1335646331 /nfs/dbraw/zinc/64/63/31/1335646331.db2.gz WSFJSCZXKWLPFF-IRXDYDNUSA-N 2 0 341.540 2.142 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCc3ccsc3)C(C)(C)C2)C1 ZINC001332440763 1335824629 /nfs/dbraw/zinc/82/46/29/1335824629.db2.gz ASOQHBPLKJOJCU-DLBZAZTESA-N 2 0 349.544 2.459 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CCOCC1)C(C)(C)C ZINC001332839590 1335917135 /nfs/dbraw/zinc/91/71/35/1335917135.db2.gz YHRKMNZJCZJYQH-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP COCCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001333154431 1335972330 /nfs/dbraw/zinc/97/23/30/1335972330.db2.gz TYWXXXJEIQAFPY-DAWZGUTISA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001480324721 1338000388 /nfs/dbraw/zinc/00/03/88/1338000388.db2.gz QOQVQPPKMXQCCZ-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC001434243577 1341804155 /nfs/dbraw/zinc/80/41/55/1341804155.db2.gz LMZMOWGDLVYGRP-RLLQIKCJSA-N 2 0 329.488 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668652087 1355980346 /nfs/dbraw/zinc/98/03/46/1355980346.db2.gz HMDCUAKJIAKPRR-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC001436368426 1342055968 /nfs/dbraw/zinc/05/59/68/1342055968.db2.gz XNUSEKADAAOJSC-BETUJISGSA-N 2 0 341.908 2.482 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001566740216 1342619888 /nfs/dbraw/zinc/61/98/88/1342619888.db2.gz SERXUUHNDREUTL-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001566773799 1342628643 /nfs/dbraw/zinc/62/86/43/1342628643.db2.gz RFKJKOVLJCGFET-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)s1 ZINC001567523195 1342777824 /nfs/dbraw/zinc/77/78/24/1342777824.db2.gz UWEJRBMLBZQJOU-UHFFFAOYSA-N 2 0 343.456 2.269 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nocc1C ZINC001676022023 1357090801 /nfs/dbraw/zinc/09/08/01/1357090801.db2.gz BOWGUYOINWDSHF-RDJZCZTQSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1 ZINC001567663051 1342808197 /nfs/dbraw/zinc/80/81/97/1342808197.db2.gz FUOGXLJYQIMNEB-MOPGFXCFSA-N 2 0 347.503 2.079 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676019069 1357090338 /nfs/dbraw/zinc/09/03/38/1357090338.db2.gz ZQYSMCFLZITXKC-SWLSCSKDSA-N 2 0 338.521 2.086 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CC1)[NH+](C)C ZINC001569404509 1342865068 /nfs/dbraw/zinc/86/50/68/1342865068.db2.gz RJQMFYFPWPKSAD-HNNXBMFYSA-N 2 0 338.883 2.060 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001569613314 1342908390 /nfs/dbraw/zinc/90/83/90/1342908390.db2.gz RTEYFVAYAVIPOZ-GOSISDBHSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001570013971 1342999702 /nfs/dbraw/zinc/99/97/02/1342999702.db2.gz VITQYEOREVOHIN-GOSISDBHSA-N 2 0 331.504 2.411 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CCCC[NH+](C)C ZINC001571490278 1343218502 /nfs/dbraw/zinc/21/85/02/1343218502.db2.gz BNNWUWIETNIMNG-DZGCQCFKSA-N 2 0 331.451 2.343 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001571558626 1343237483 /nfs/dbraw/zinc/23/74/83/1343237483.db2.gz NWGDKQFUPHFOAH-KRWDZBQOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423300 1357148658 /nfs/dbraw/zinc/14/86/58/1357148658.db2.gz CZNWKHSFNBNVOZ-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001676668662 1357178021 /nfs/dbraw/zinc/17/80/21/1357178021.db2.gz NMGPQUKVLSEEOG-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001676952422 1357248273 /nfs/dbraw/zinc/24/82/73/1357248273.db2.gz WJOBVXOVXLUXBP-MOPGFXCFSA-N 2 0 343.515 2.445 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccc(F)cc1 ZINC001645853260 1352805157 /nfs/dbraw/zinc/80/51/57/1352805157.db2.gz JNAUBWDGYLOGCO-VQHPVUNQSA-N 2 0 334.439 2.140 10 0 EEAERP COCC[NH2+]C1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001649459729 1353516874 /nfs/dbraw/zinc/51/68/74/1353516874.db2.gz PEDRPVGVJYRSMN-UHFFFAOYSA-N 2 0 347.503 2.021 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncs1 ZINC001649469459 1353522740 /nfs/dbraw/zinc/52/27/40/1353522740.db2.gz GOLRIKPULIUCTN-GOEBONIOSA-N 2 0 338.521 2.392 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001671252302 1354024719 /nfs/dbraw/zinc/02/47/19/1354024719.db2.gz WFJYZYIUCYPTNV-DLBZAZTESA-N 2 0 337.508 2.033 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001657106153 1354328347 /nfs/dbraw/zinc/32/83/47/1354328347.db2.gz MQBRRYXJRZGQMR-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C2CC2)o1 ZINC001660752832 1354531757 /nfs/dbraw/zinc/53/17/57/1354531757.db2.gz HUUZJUINLVHPJC-HUUCEWRRSA-N 2 0 348.491 2.327 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001660833102 1354547713 /nfs/dbraw/zinc/54/77/13/1354547713.db2.gz HKIHWABPRYQSKC-GOSISDBHSA-N 2 0 347.503 2.021 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001661201481 1354604089 /nfs/dbraw/zinc/60/40/89/1354604089.db2.gz BTLIVYACHXYVOK-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001662609052 1354812460 /nfs/dbraw/zinc/81/24/60/1354812460.db2.gz WAUSNCBNNIBPJQ-PXNSSMCTSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791727 1354847796 /nfs/dbraw/zinc/84/77/96/1354847796.db2.gz ROVNUKHJAJZTAC-JKSUJKDBSA-N 2 0 336.480 2.232 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@@H]1CC1(Cl)Cl ZINC001663443112 1354962744 /nfs/dbraw/zinc/96/27/44/1354962744.db2.gz NRNMBICAKNZPFZ-CYBMUJFWSA-N 2 0 348.318 2.104 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001666291237 1355504137 /nfs/dbraw/zinc/50/41/37/1355504137.db2.gz ULDGRCKWLPAJIX-XSLAGTTESA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCCC2)CC[N@@H+]1C ZINC001667140778 1355656703 /nfs/dbraw/zinc/65/67/03/1355656703.db2.gz YYLQRDULTAYVKY-BHYGNILZSA-N 2 0 327.488 2.341 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001667279194 1355696402 /nfs/dbraw/zinc/69/64/02/1355696402.db2.gz NUOKBQQPRYSJMW-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001667285767 1355699315 /nfs/dbraw/zinc/69/93/15/1355699315.db2.gz UQYJMKTWHMHLQG-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001668108017 1355873513 /nfs/dbraw/zinc/87/35/13/1355873513.db2.gz YCDBUZFEOZOPDB-BLLLJJGKSA-N 2 0 327.419 2.289 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112517 1355874036 /nfs/dbraw/zinc/87/40/36/1355874036.db2.gz GSIDUCBCPKESPV-GOEBONIOSA-N 2 0 336.480 2.267 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668118027 1355875704 /nfs/dbraw/zinc/87/57/04/1355875704.db2.gz PPRBCSUQBMCOPO-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001668117173 1355875990 /nfs/dbraw/zinc/87/59/90/1355875990.db2.gz FIJXBFJQUOJFLG-AWEZNQCLSA-N 2 0 336.480 2.312 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CCNC/C(Cl)=C/Cl)CC[N@@H+]1C ZINC001668435899 1355940368 /nfs/dbraw/zinc/94/03/68/1355940368.db2.gz YDKYNQMCEGJJTA-WXLZEUHASA-N 2 0 336.307 2.474 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668523986 1355956685 /nfs/dbraw/zinc/95/66/85/1355956685.db2.gz DROSIGHJLWSSJO-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCc2ccccc2Cl)CC[N@@H+]1C ZINC001668833025 1356015491 /nfs/dbraw/zinc/01/54/91/1356015491.db2.gz FGNQKFMHULIUDF-AMFYOEQGSA-N 2 0 349.906 2.485 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cncc(C)c1 ZINC001668852933 1356023113 /nfs/dbraw/zinc/02/31/13/1356023113.db2.gz AYEGTBTZPLZBIQ-WRFKIARRSA-N 2 0 330.476 2.026 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001669137856 1356104292 /nfs/dbraw/zinc/10/42/92/1356104292.db2.gz FEFWWKPIIRDTFG-OSJSJHBBSA-N 2 0 327.472 2.414 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@H]1CCCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001669140023 1356105086 /nfs/dbraw/zinc/10/50/86/1356105086.db2.gz VMOYAAGKODLKKT-LLHWWHOWSA-N 2 0 339.483 2.422 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001670344372 1356323820 /nfs/dbraw/zinc/32/38/20/1356323820.db2.gz GPWNYRIDAMDADK-KRWDZBQOSA-N 2 0 328.460 2.058 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001672306370 1356498499 /nfs/dbraw/zinc/49/84/99/1356498499.db2.gz VPOFTXZYIWLDIH-FUHWJXTLSA-N 2 0 349.494 2.394 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)CC1 ZINC001672987147 1356626892 /nfs/dbraw/zinc/62/68/92/1356626892.db2.gz LUJLZXYZTRRANV-JCNLHEQBSA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001673381029 1356681273 /nfs/dbraw/zinc/68/12/73/1356681273.db2.gz PYFKLQTXVQOTJG-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCCC[NH+](C)C)CC2)o1 ZINC001673994323 1356768881 /nfs/dbraw/zinc/76/88/81/1356768881.db2.gz YOKQQEZOGXPZHD-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCCOc1ccccc1 ZINC001674948856 1356915807 /nfs/dbraw/zinc/91/58/07/1356915807.db2.gz MQYVMPDZOZQMSI-PKOBYXMFSA-N 2 0 347.503 2.376 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CN(Cc2ccc(Cl)nc2)C1 ZINC001675370050 1356971754 /nfs/dbraw/zinc/97/17/54/1356971754.db2.gz WZQAVTGLMZZUOR-ZDUSSCGKSA-N 2 0 338.883 2.012 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001675785856 1357049227 /nfs/dbraw/zinc/04/92/27/1357049227.db2.gz MFAVMAMBUHOMQM-YRGRVCCFSA-N 2 0 336.307 2.376 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691931935 1404965241 /nfs/dbraw/zinc/96/52/41/1404965241.db2.gz BRYBJGHDSWEDOZ-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cnccc2C)CC1 ZINC001698701178 1405018327 /nfs/dbraw/zinc/01/83/27/1405018327.db2.gz JKYORJDSKWVOBM-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCc1ccc(C[NH2+]CCO)cc1 ZINC001698718013 1405023457 /nfs/dbraw/zinc/02/34/57/1405023457.db2.gz VDJONMOZLSXXJX-UHFFFAOYSA-N 2 0 347.503 2.038 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C\c1ccccc1 ZINC001698748125 1405042102 /nfs/dbraw/zinc/04/21/02/1405042102.db2.gz KEGTYPUOIZXGCM-MHFZIOKWSA-N 2 0 329.488 2.382 10 0 EEAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCCCF ZINC001698898232 1405138527 /nfs/dbraw/zinc/13/85/27/1405138527.db2.gz MTLQQVYDXZZAKP-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]Cc1nccs1)C12CC[NH+](CC1)C2 ZINC001698921383 1405163782 /nfs/dbraw/zinc/16/37/82/1405163782.db2.gz TTXRXZMDISKQDT-OAHLLOKOSA-N 2 0 348.516 2.100 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC001699257458 1405297936 /nfs/dbraw/zinc/29/79/36/1405297936.db2.gz BTFQVXZULJCHRC-BDUNBXCCSA-N 2 0 337.508 2.082 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCOC1 ZINC001699539980 1405378360 /nfs/dbraw/zinc/37/83/60/1405378360.db2.gz ZVFCFMULEKWCQS-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001699796495 1405489298 /nfs/dbraw/zinc/48/92/98/1405489298.db2.gz NXXRACLOACRPBW-GOSISDBHSA-N 2 0 339.524 2.018 10 0 EEAERP CN(C)C(=O)COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925475274 770470980 /nfs/dbraw/zinc/47/09/80/770470980.db2.gz LESPDBKBPYMMNN-HOTGVXAUSA-N 2 0 333.476 2.149 10 0 EEAERP C[C@H](CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000921161870 770987411 /nfs/dbraw/zinc/98/74/11/770987411.db2.gz GFEFHIVDCTVSQO-RYRKJORJSA-N 2 0 332.492 2.289 10 0 EEAERP CC[N@H+](C)C[C@H](O)CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705935608 784827664 /nfs/dbraw/zinc/82/76/64/784827664.db2.gz TVMUMIAYYMZXSW-ACRUOGEOSA-N 2 0 345.531 2.143 10 0 EEAERP Cc1cc(=O)oc2cc(OCCN3CCC4(CC[NH2+]4)CC3)ccc12 ZINC000817880366 785041142 /nfs/dbraw/zinc/04/11/42/785041142.db2.gz QISBDXUVAZUSMJ-UHFFFAOYSA-N 2 0 328.412 2.308 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@@H](O)C3CC3)CC2)c1 ZINC000818955302 785342235 /nfs/dbraw/zinc/34/22/35/785342235.db2.gz RBECDCCFXPXUOI-HXUWFJFHSA-N 2 0 331.504 2.258 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000818987923 785352989 /nfs/dbraw/zinc/35/29/89/785352989.db2.gz IXBNTIPOBQRODB-NRFANRHFSA-N 2 0 345.531 2.485 10 0 EEAERP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000819062662 785406692 /nfs/dbraw/zinc/40/66/92/785406692.db2.gz RYQVDMMGNPIWSR-MOPGFXCFSA-N 2 0 337.483 2.029 10 0 EEAERP O[C@H](C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000819130632 785435536 /nfs/dbraw/zinc/43/55/36/785435536.db2.gz DAYPCBPDXKEEBU-HXUWFJFHSA-N 2 0 332.488 2.418 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)C1 ZINC000911564833 787541112 /nfs/dbraw/zinc/54/11/12/787541112.db2.gz CYHGZHSWMJETKM-YTQUADARSA-N 2 0 327.472 2.206 10 0 EEAERP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918541 788475820 /nfs/dbraw/zinc/47/58/20/788475820.db2.gz FLXWPBDPZFEXJB-RBUKOAKNSA-N 2 0 327.472 2.205 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC000913082878 788614936 /nfs/dbraw/zinc/61/49/36/788614936.db2.gz LUZXQDLKLIUUPT-JBACZVJFSA-N 2 0 341.499 2.309 10 0 EEAERP CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318293 789360447 /nfs/dbraw/zinc/36/04/47/789360447.db2.gz YSNCCLYKXREGMM-MSOLQXFVSA-N 2 0 336.451 2.196 10 0 EEAERP Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000923364932 789441995 /nfs/dbraw/zinc/44/19/95/789441995.db2.gz DFGCYHOBINFLAL-UYAOXDASSA-N 2 0 332.488 2.427 10 0 EEAERP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923452712 789586340 /nfs/dbraw/zinc/58/63/40/789586340.db2.gz WCRMYQVQVWERKA-SJLPKXTDSA-N 2 0 345.487 2.460 10 0 EEAERP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453446 789587527 /nfs/dbraw/zinc/58/75/27/789587527.db2.gz MLWSNUZSGQPTJG-DLBZAZTESA-N 2 0 345.487 2.460 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923490544 789659812 /nfs/dbraw/zinc/65/98/12/789659812.db2.gz DMJFAFCZCMWEPH-OSAQELSMSA-N 2 0 327.266 2.399 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC000923497860 789672678 /nfs/dbraw/zinc/67/26/78/789672678.db2.gz MUEZTWCGKMLFNQ-CVEARBPZSA-N 2 0 330.476 2.142 10 0 EEAERP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503634 789699935 /nfs/dbraw/zinc/69/99/35/789699935.db2.gz JVFXKONSNHPOGT-UGVHPLNOSA-N 2 0 333.520 2.377 10 0 EEAERP C[N@H+](CC(=O)NCCn1cncc1-c1ccccc1)[C@@H]1CCSC1 ZINC000913711196 794164047 /nfs/dbraw/zinc/16/40/47/794164047.db2.gz KWNBOXGJBMIKLN-MRXNPFEDSA-N 2 0 344.484 2.104 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCN1c1cc[nH+]cc1 ZINC000915281919 795818472 /nfs/dbraw/zinc/81/84/72/795818472.db2.gz AXXWSHJEGQQUSS-QGZVFWFLSA-N 2 0 330.476 2.385 10 0 EEAERP C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000921881625 797843108 /nfs/dbraw/zinc/84/31/08/797843108.db2.gz RYENSUWUJRAFQB-CRAIPNDOSA-N 2 0 345.491 2.024 10 0 EEAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001565984034 1125483400 /nfs/dbraw/zinc/48/34/00/1125483400.db2.gz BNDCFAQVWGESKR-SJLPKXTDSA-N 2 0 349.523 2.075 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001566516608 1125689042 /nfs/dbraw/zinc/68/90/42/1125689042.db2.gz RFXDOHHOIBXSBO-IBGZPJMESA-N 2 0 329.488 2.065 10 0 EEAERP Cc1nc(C)c(C[N@@H+](CCCNC(=O)C2([NH+](C)C)CCC2)C2CC2)o1 ZINC001566590409 1125781147 /nfs/dbraw/zinc/78/11/47/1125781147.db2.gz XLANOLSTEZVFPI-UHFFFAOYSA-N 2 0 348.491 2.246 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1Cc1c(C)noc1C ZINC001436443678 1087851689 /nfs/dbraw/zinc/85/16/89/1087851689.db2.gz ATVBLBWVALMCNE-DLBZAZTESA-N 2 0 336.480 2.101 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)[NH+]1CCCCC1 ZINC001436491406 1087988949 /nfs/dbraw/zinc/98/89/49/1087988949.db2.gz TWRZCMUSMOOSHV-IXDOHACOSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436499514 1088020610 /nfs/dbraw/zinc/02/06/10/1088020610.db2.gz NKZMPPXOHZOODI-JKSUJKDBSA-N 2 0 347.507 2.096 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436668962 1088108059 /nfs/dbraw/zinc/10/80/59/1088108059.db2.gz ODZDQXZBOXMBFH-YOEHRIQHSA-N 2 0 336.480 2.048 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001436761898 1088282983 /nfs/dbraw/zinc/28/29/83/1088282983.db2.gz ZTBWMHWTRDNLRH-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001436952276 1088639892 /nfs/dbraw/zinc/63/98/92/1088639892.db2.gz GEEDENDAZVHWOO-FPMFFAJLSA-N 2 0 327.469 2.408 10 0 EEAERP COCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001437206488 1089278333 /nfs/dbraw/zinc/27/83/33/1089278333.db2.gz XNQCURAHRRQXLD-GJYPPUQNSA-N 2 0 347.503 2.158 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437261829 1089405284 /nfs/dbraw/zinc/40/52/84/1089405284.db2.gz DUKFZBPXPHGZOF-CJNGLKHVSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001437404656 1089680588 /nfs/dbraw/zinc/68/05/88/1089680588.db2.gz RYOLZIONLWFYCX-CHWSQXEVSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2ccc(F)cc2C)CC[N@@H+]1C ZINC001437461938 1089779293 /nfs/dbraw/zinc/77/92/93/1089779293.db2.gz FCUQHMJMHMHREE-ZWKOTPCHSA-N 2 0 335.467 2.412 10 0 EEAERP O=C(NCC[N@H+](CC1CC2(CCC2)C1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001437785451 1090371519 /nfs/dbraw/zinc/37/15/19/1090371519.db2.gz MPMIJTHIAMGTJA-IBGZPJMESA-N 2 0 345.531 2.489 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCc3ccccc32)C1 ZINC001437820558 1090413250 /nfs/dbraw/zinc/41/32/50/1090413250.db2.gz PUSDJVCZKPSXDD-APWZRJJASA-N 2 0 327.472 2.206 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437991599 1090588358 /nfs/dbraw/zinc/58/83/58/1090588358.db2.gz PUJAAJUCPMRCJA-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001438031998 1090613826 /nfs/dbraw/zinc/61/38/26/1090613826.db2.gz WXRJLSIHDCCTGP-GJZGRUSLSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnoc1C ZINC001438313897 1090792407 /nfs/dbraw/zinc/79/24/07/1090792407.db2.gz UADAEWLWDYDHTM-WMZOPIPTSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cc(C)no1 ZINC001438320211 1090795627 /nfs/dbraw/zinc/79/56/27/1090795627.db2.gz CVFXAZBRKDSHLT-RDJZCZTQSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438334185 1090809333 /nfs/dbraw/zinc/80/93/33/1090809333.db2.gz CSIQOWLDMXJNSC-HKUYNNGSSA-N 2 0 346.519 2.221 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]Cc2ccsc2)C2CC2)C1 ZINC001438427327 1090924600 /nfs/dbraw/zinc/92/46/00/1090924600.db2.gz WSYZPOADSGSIMX-KBXCAEBGSA-N 2 0 335.517 2.464 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001438441782 1090943960 /nfs/dbraw/zinc/94/39/60/1090943960.db2.gz XUEDARGBSLEZRM-SHTZXODSSA-N 2 0 334.464 2.021 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)CC(C)(C)C ZINC001438443071 1090946300 /nfs/dbraw/zinc/94/63/00/1090946300.db2.gz RMOAZMFXSUCDAT-ULQDDVLXSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001438556238 1091048922 /nfs/dbraw/zinc/04/89/22/1091048922.db2.gz QAHYDKIKHKZVKS-KBXCAEBGSA-N 2 0 333.451 2.251 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001445397936 1091143838 /nfs/dbraw/zinc/14/38/38/1091143838.db2.gz AIDMJOPMPGIQRV-QAPCUYQASA-N 2 0 332.492 2.105 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001438659903 1091148619 /nfs/dbraw/zinc/14/86/19/1091148619.db2.gz GUVFWALIQVMUJV-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001438686467 1091185880 /nfs/dbraw/zinc/18/58/80/1091185880.db2.gz UYENFDFCZGMKEK-ZOBUZTSGSA-N 2 0 335.467 2.493 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001438931994 1091614752 /nfs/dbraw/zinc/61/47/52/1091614752.db2.gz LMICDCVYBPJAOM-SFHVURJKSA-N 2 0 343.515 2.407 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001438935338 1091618449 /nfs/dbraw/zinc/61/84/49/1091618449.db2.gz CFPLPUFNEWZWGS-IBGZPJMESA-N 2 0 329.488 2.406 10 0 EEAERP C[C@@H](C[N@H+](C)CC1CCOCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445805910 1091677105 /nfs/dbraw/zinc/67/71/05/1091677105.db2.gz AULSYQWWXOEYQC-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCOCC1)[NH+]1CCCCCC1 ZINC001445805900 1091677350 /nfs/dbraw/zinc/67/73/50/1091677350.db2.gz AULSYQWWXOEYQC-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001439265684 1091920789 /nfs/dbraw/zinc/92/07/89/1091920789.db2.gz XDVSAFFAEWUWGF-INIZCTEOSA-N 2 0 349.523 2.099 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439269920 1091927992 /nfs/dbraw/zinc/92/79/92/1091927992.db2.gz WTOLAVYPQUGXTC-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC001445981116 1091942894 /nfs/dbraw/zinc/94/28/94/1091942894.db2.gz NUTBOUKQRBNABI-VQIMIIECSA-N 2 0 329.488 2.321 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001445986296 1091953186 /nfs/dbraw/zinc/95/31/86/1091953186.db2.gz CIHQBKNZQUSBKL-HKUYNNGSSA-N 2 0 329.488 2.321 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446073842 1092092582 /nfs/dbraw/zinc/09/25/82/1092092582.db2.gz RADYEBPIUWUJPM-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1F ZINC001439473035 1092265960 /nfs/dbraw/zinc/26/59/60/1092265960.db2.gz AXDDFYCTRDWTST-IFXJQAMLSA-N 2 0 347.478 2.460 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC001439828126 1092817961 /nfs/dbraw/zinc/81/79/61/1092817961.db2.gz JHPVJIHJUUSYCC-SFHVURJKSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cs1 ZINC001439849669 1092863232 /nfs/dbraw/zinc/86/32/32/1092863232.db2.gz JYDKCPXLTQHDQI-KSSFIOAISA-N 2 0 335.517 2.479 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439854452 1092876193 /nfs/dbraw/zinc/87/61/93/1092876193.db2.gz SDHMOMQCEZBJIK-APWZRJJASA-N 2 0 333.520 2.489 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439865714 1092898582 /nfs/dbraw/zinc/89/85/82/1092898582.db2.gz KNGIPTKMHZVHID-LPHOPBHVSA-N 2 0 333.520 2.489 10 0 EEAERP CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001439976565 1093096453 /nfs/dbraw/zinc/09/64/53/1093096453.db2.gz UQDJGRRENDGOEL-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)cc1 ZINC001440224871 1093304738 /nfs/dbraw/zinc/30/47/38/1093304738.db2.gz RGFAFTWSBPVTRB-AEFFLSMTSA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC001440267048 1093376546 /nfs/dbraw/zinc/37/65/46/1093376546.db2.gz GHDLDNZIFCIPMO-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCc1ccccc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001440267416 1093378833 /nfs/dbraw/zinc/37/88/33/1093378833.db2.gz TYMHHXTUNPSNJN-RTBURBONSA-N 2 0 329.488 2.104 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001440351268 1093504264 /nfs/dbraw/zinc/50/42/64/1093504264.db2.gz FRHGRPIMXJYSJB-KRWDZBQOSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001440356074 1093512495 /nfs/dbraw/zinc/51/24/95/1093512495.db2.gz VLHFZEVNKDZRQM-UHFFFAOYSA-N 2 0 348.491 2.378 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001440529014 1093784933 /nfs/dbraw/zinc/78/49/33/1093784933.db2.gz HQEBYSVQWQCWLW-CVEARBPZSA-N 2 0 325.472 2.334 10 0 EEAERP CCC1([NH2+]C[C@H]2CCO[C@@H](C)C2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440533792 1093795555 /nfs/dbraw/zinc/79/55/55/1093795555.db2.gz USEBIGLFCTVUBX-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C1(C)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001440604960 1093870361 /nfs/dbraw/zinc/87/03/61/1093870361.db2.gz QUSUXNXDYVZCAI-UHFFFAOYSA-N 2 0 327.432 2.262 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)nsc2C)C[C@H]1C ZINC001448998549 1093996551 /nfs/dbraw/zinc/99/65/51/1093996551.db2.gz BDMOZRYBAKUTHJ-DOMZBBRYSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440824935 1094076943 /nfs/dbraw/zinc/07/69/43/1094076943.db2.gz OBKKFMYVCKRBNQ-ZIAGYGMSSA-N 2 0 336.455 2.078 10 0 EEAERP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440843676 1094100995 /nfs/dbraw/zinc/10/09/95/1094100995.db2.gz UZTPUKJTHDYSPT-OLZOCXBDSA-N 2 0 333.467 2.492 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC001449093828 1094104300 /nfs/dbraw/zinc/10/43/00/1094104300.db2.gz UUJYICSAXYSOAS-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)N(CC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CN(C)CCO1 ZINC001449254278 1094202012 /nfs/dbraw/zinc/20/20/12/1094202012.db2.gz BOEFIYZJFDGPPK-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc(C[N@H+](C)CCN(C(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001449281467 1094230943 /nfs/dbraw/zinc/23/09/43/1094230943.db2.gz TWPSZVXGJOKJAL-UHFFFAOYSA-N 2 0 347.503 2.460 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCOC2CCC2)CC1)[NH+](C)C ZINC001449355503 1094317880 /nfs/dbraw/zinc/31/78/80/1094317880.db2.gz ZBNKZKCQJSRXQP-QAPCUYQASA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c1 ZINC001441170704 1094524259 /nfs/dbraw/zinc/52/42/59/1094524259.db2.gz BXUASIKMEVWGFN-OALUTQOASA-N 2 0 329.488 2.382 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC001441208717 1094571372 /nfs/dbraw/zinc/57/13/72/1094571372.db2.gz VFZSOUAISZWCFW-OALUTQOASA-N 2 0 344.503 2.249 10 0 EEAERP COc1ccc(CC[NH+]2CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001441213045 1094576581 /nfs/dbraw/zinc/57/65/81/1094576581.db2.gz QNBLEEYYJJRHAN-INIZCTEOSA-N 2 0 347.503 2.014 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C)[NH+](C)C ZINC001441265583 1094674104 /nfs/dbraw/zinc/67/41/04/1094674104.db2.gz VXLJCMCMBLEDDN-UONOGXRCSA-N 2 0 331.451 2.199 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001441337099 1094816396 /nfs/dbraw/zinc/81/63/96/1094816396.db2.gz HWHPCAAMHWSWSE-OKZBNKHCSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)o1 ZINC001441392520 1094953127 /nfs/dbraw/zinc/95/31/27/1094953127.db2.gz AXQXSTQQSBGIEK-SHTZXODSSA-N 2 0 348.491 2.373 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncc(C2CC2)o1 ZINC001441412284 1094991550 /nfs/dbraw/zinc/99/15/50/1094991550.db2.gz CBUMJABVCVMONT-JKSUJKDBSA-N 2 0 348.491 2.124 10 0 EEAERP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001441540723 1095258304 /nfs/dbraw/zinc/25/83/04/1095258304.db2.gz NQBSDYIFPWURPN-HDICACEKSA-N 2 0 345.487 2.308 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001441540755 1095259393 /nfs/dbraw/zinc/25/93/93/1095259393.db2.gz NTXGXDGOBLDMQJ-GASCZTMLSA-N 2 0 336.505 2.064 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001441546152 1095269877 /nfs/dbraw/zinc/26/98/77/1095269877.db2.gz FCGPMRXDMWYXBO-OKILXGFUSA-N 2 0 339.430 2.084 10 0 EEAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCC1CCOCC1 ZINC001441913505 1096089551 /nfs/dbraw/zinc/08/95/51/1096089551.db2.gz YGIPPRKPUARNOQ-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001441927105 1096111376 /nfs/dbraw/zinc/11/13/76/1096111376.db2.gz NNBFJGYEYCSBSU-JHSOUAKNSA-N 2 0 327.900 2.438 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001442017035 1096224206 /nfs/dbraw/zinc/22/42/06/1096224206.db2.gz VESZVISBUMFLBG-MLGOLLRUSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCC1CCCCC1 ZINC001442048951 1096260288 /nfs/dbraw/zinc/26/02/88/1096260288.db2.gz KPTDXPIOJVZDIX-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001442203818 1096488258 /nfs/dbraw/zinc/48/82/58/1096488258.db2.gz KUGKPYXPFBGNLR-HZPDHXFCSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)cc(F)c1 ZINC001442320058 1096638487 /nfs/dbraw/zinc/63/84/87/1096638487.db2.gz MEGUCGJABANHAX-CYBMUJFWSA-N 2 0 337.414 2.045 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)C23CCC[NH+](CCC2)C3)c(C)n1 ZINC001442430604 1096755562 /nfs/dbraw/zinc/75/55/62/1096755562.db2.gz JPFPUGFCLDPIRV-UHFFFAOYSA-N 2 0 344.503 2.122 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C/C=C\Cl)C1 ZINC001443348947 1097871110 /nfs/dbraw/zinc/87/11/10/1097871110.db2.gz ZOSICDNOULALPU-HPRJGHKQSA-N 2 0 327.900 2.394 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cncc(C)c1 ZINC001443976678 1098493994 /nfs/dbraw/zinc/49/39/94/1098493994.db2.gz VLPLYBBHYZYKMR-RYQLBKOJSA-N 2 0 332.492 2.105 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001443984192 1098500943 /nfs/dbraw/zinc/50/09/43/1098500943.db2.gz KCHPPTQLBDNQPS-TZMCWYRMSA-N 2 0 327.419 2.462 10 0 EEAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC[C@@H]1CCCCO1 ZINC001444011711 1098528293 /nfs/dbraw/zinc/52/82/93/1098528293.db2.gz WHKCGKADHQCEBY-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]Cc1ccccc1C ZINC001444020861 1098538406 /nfs/dbraw/zinc/53/84/06/1098538406.db2.gz VUNVECGSNVKVPH-ICSRJNTNSA-N 2 0 329.488 2.465 10 0 EEAERP CC[C@@H](C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1)OC ZINC001479501115 1098568661 /nfs/dbraw/zinc/56/86/61/1098568661.db2.gz IRATXWTYCLKJKM-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001479524238 1098590392 /nfs/dbraw/zinc/59/03/92/1098590392.db2.gz PEFDTSKBSAQCCF-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001444116320 1098649285 /nfs/dbraw/zinc/64/92/85/1098649285.db2.gz KJMYIWCOXNXKDJ-HKUYNNGSSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479692330 1098756653 /nfs/dbraw/zinc/75/66/53/1098756653.db2.gz KPXXYFBEEVWPER-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CO[C@H](C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001444213318 1098774317 /nfs/dbraw/zinc/77/43/17/1098774317.db2.gz VZAVQJWFMANKMY-MRXNPFEDSA-N 2 0 347.503 2.302 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCOc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001479717891 1098801249 /nfs/dbraw/zinc/80/12/49/1098801249.db2.gz MHVUVJIBBGZDKK-NEWSRXKRSA-N 2 0 347.503 2.375 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2cccnc2C)C1 ZINC001479791410 1098996229 /nfs/dbraw/zinc/99/62/29/1098996229.db2.gz MFZMGRKKLKCJGO-LJQANCHMSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001479794518 1099005445 /nfs/dbraw/zinc/00/54/45/1099005445.db2.gz MUGILIBGSYDPFK-ZDUSSCGKSA-N 2 0 327.419 2.416 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CC[C@H](C)O1 ZINC001479850489 1099148010 /nfs/dbraw/zinc/14/80/10/1099148010.db2.gz BYZCURIMQTXFEH-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@H](C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1)OC ZINC001444514081 1099257398 /nfs/dbraw/zinc/25/73/98/1099257398.db2.gz WGUGATOGAMNCJX-IXDOHACOSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001444627492 1099453402 /nfs/dbraw/zinc/45/34/02/1099453402.db2.gz PMCQGVVKGXLAJB-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001444739807 1099615667 /nfs/dbraw/zinc/61/56/67/1099615667.db2.gz BNGWMZCUMIDIPV-RBUKOAKNSA-N 2 0 346.519 2.413 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)o1 ZINC001444779733 1099682665 /nfs/dbraw/zinc/68/26/65/1099682665.db2.gz RVSMVISHZNLGNL-MRXNPFEDSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)n1 ZINC001480225062 1099843949 /nfs/dbraw/zinc/84/39/49/1099843949.db2.gz WLNPICQWISIWIQ-CALCHBBNSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001480258886 1099929877 /nfs/dbraw/zinc/92/98/77/1099929877.db2.gz WWBIOQQZHUVQOL-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001480286716 1099994793 /nfs/dbraw/zinc/99/47/93/1099994793.db2.gz UCBMUBZYXQABLH-IDSJHHPBSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cncc(C[NH+]2CCCC[C@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001480330085 1100085595 /nfs/dbraw/zinc/08/55/95/1100085595.db2.gz CEDDNYQTKCCOPU-HKUYNNGSSA-N 2 0 344.503 2.203 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)C1(C[NH+](C)C)CC1 ZINC001445026352 1100190340 /nfs/dbraw/zinc/19/03/40/1100190340.db2.gz GBYZFTOOAUWNEB-GOSISDBHSA-N 2 0 329.488 2.406 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001480492371 1100304797 /nfs/dbraw/zinc/30/47/97/1100304797.db2.gz JIQVTECHWCLOCX-QFBILLFUSA-N 2 0 346.519 2.413 10 0 EEAERP CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)CNCc1nc(C)c(C)o1 ZINC001445360103 1100596444 /nfs/dbraw/zinc/59/64/44/1100596444.db2.gz DLPJGWIAXCFLBJ-OLZOCXBDSA-N 2 0 347.463 2.296 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001496361286 1100954760 /nfs/dbraw/zinc/95/47/60/1100954760.db2.gz JHPCTXNBGPKYHB-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC001496364623 1100957772 /nfs/dbraw/zinc/95/77/72/1100957772.db2.gz UAKQWAOVCZZSDP-JWUWVAEESA-N 2 0 329.488 2.478 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccncc2Cl)C1 ZINC001446597176 1101090569 /nfs/dbraw/zinc/09/05/69/1101090569.db2.gz BOUOQNGJJQHYEA-KRWDZBQOSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001496602080 1101202885 /nfs/dbraw/zinc/20/28/85/1101202885.db2.gz FJEWVBYBGVSTQO-ZFWWWQNUSA-N 2 0 331.451 2.104 10 0 EEAERP COc1ccc(C[NH2+][C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496625771 1101229104 /nfs/dbraw/zinc/22/91/04/1101229104.db2.gz CBCFQDDYOXRRPH-PKOBYXMFSA-N 2 0 347.503 2.267 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001496707293 1101307228 /nfs/dbraw/zinc/30/72/28/1101307228.db2.gz OKAVMCVFAWYEKW-SUMDDJOVSA-N 2 0 329.488 2.404 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001495730564 1101495649 /nfs/dbraw/zinc/49/56/49/1101495649.db2.gz SMVGPRZNEFWALP-GJZGRUSLSA-N 2 0 345.478 2.496 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]Cc1c(F)cccc1F ZINC001495743185 1101515031 /nfs/dbraw/zinc/51/50/31/1101515031.db2.gz NCWCCFGHBRPCGZ-UONOGXRCSA-N 2 0 339.430 2.149 10 0 EEAERP COCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001496888189 1101670516 /nfs/dbraw/zinc/67/05/16/1101670516.db2.gz CYJIGMWQQQCEIB-NVXWUHKLSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001446970906 1101681473 /nfs/dbraw/zinc/68/14/73/1101681473.db2.gz KGLSSBGXBGESSR-ZBFHGGJFSA-N 2 0 337.895 2.476 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001495868867 1101692449 /nfs/dbraw/zinc/69/24/49/1101692449.db2.gz CGONTZZJIJCJGK-KRWDZBQOSA-N 2 0 341.540 2.218 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001496906072 1101699433 /nfs/dbraw/zinc/69/94/33/1101699433.db2.gz ZUWOFAAPROZDMD-ROUUACIJSA-N 2 0 342.487 2.494 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ocnc1C ZINC001447041515 1101826988 /nfs/dbraw/zinc/82/69/88/1101826988.db2.gz MPWUYPBVQYOREK-IRXDYDNUSA-N 2 0 348.491 2.280 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C 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10 0 EEAERP C[C@H](C[NH2+]CCCOc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497838259 1103172514 /nfs/dbraw/zinc/17/25/14/1103172514.db2.gz YAYKRTXUTZTXEL-AEFFLSMTSA-N 2 0 333.476 2.034 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001447795668 1103355993 /nfs/dbraw/zinc/35/59/93/1103355993.db2.gz AEOGMIGZIXWIJO-UHFFFAOYSA-N 2 0 333.451 2.294 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001494078122 1103485183 /nfs/dbraw/zinc/48/51/83/1103485183.db2.gz FRHQLMOWQGLBDI-WBVHZDCISA-N 2 0 333.451 2.106 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001447929677 1103623045 /nfs/dbraw/zinc/62/30/45/1103623045.db2.gz IIIVTTPWTBNHHB-HUUCEWRRSA-N 2 0 330.476 2.491 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1ncc(C)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448243308 1104234966 /nfs/dbraw/zinc/23/49/66/1104234966.db2.gz DOAKGANPBGWHOE-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1ccccc1F 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NLXKFSKLJFAGKR-ZDUSSCGKSA-N 2 0 334.489 2.232 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001480813994 1107165517 /nfs/dbraw/zinc/16/55/17/1107165517.db2.gz QTCDEBMADQGAPS-CYBMUJFWSA-N 2 0 341.883 2.370 10 0 EEAERP CCN(CCNC(=O)Cn1ccnc1)[C@H](C)c1ccc(F)cc1F ZINC001493067846 1107432930 /nfs/dbraw/zinc/43/29/30/1107432930.db2.gz VVKGRBVOIRNXTA-CYBMUJFWSA-N 2 0 336.386 2.361 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001498551392 1107707158 /nfs/dbraw/zinc/70/71/58/1107707158.db2.gz IMGIQHYCCXTDAE-KRWDZBQOSA-N 2 0 336.455 2.032 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)CC1CC[NH+](C)CC1 ZINC001498622648 1107831042 /nfs/dbraw/zinc/83/10/42/1107831042.db2.gz YHKINBAUBIHSOW-UHFFFAOYSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCNC(=O)C1CC1 ZINC001459901657 1110250397 /nfs/dbraw/zinc/25/03/97/1110250397.db2.gz NUTUHCGVKAXRMA-HOTGVXAUSA-N 2 0 329.488 2.259 10 0 EEAERP 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CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001507146879 1115133310 /nfs/dbraw/zinc/13/33/10/1115133310.db2.gz DRPHBEYDAWFGEP-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c1 ZINC001507292414 1115177504 /nfs/dbraw/zinc/17/75/04/1115177504.db2.gz JBMYBSULEIDDEB-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(C)ns2)C[C@@H]1C ZINC001507327086 1115194656 /nfs/dbraw/zinc/19/46/56/1115194656.db2.gz HVMXGNYMGQDONV-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001507426353 1115262820 /nfs/dbraw/zinc/26/28/20/1115262820.db2.gz FYZGDMAFQZHNOY-MOPGFXCFSA-N 2 0 331.504 2.444 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2F)C(C)(C)C1 ZINC001507449289 1115276063 /nfs/dbraw/zinc/27/60/63/1115276063.db2.gz BEKHKFANZLKWLS-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2cncs2)C(C)(C)C)CC[N@@H+]1C ZINC001507938447 1115377222 /nfs/dbraw/zinc/37/72/22/1115377222.db2.gz JRBGFWGITYNOBQ-YUELXQCFSA-N 2 0 338.521 2.104 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001507948263 1115378399 /nfs/dbraw/zinc/37/83/99/1115378399.db2.gz HQOYHSRSSMBPDD-NXHRZFHOSA-N 2 0 346.519 2.351 10 0 EEAERP CCCCOCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508056485 1115405884 /nfs/dbraw/zinc/40/58/84/1115405884.db2.gz MWXIHIDFJOLIOP-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001508161733 1115431572 /nfs/dbraw/zinc/43/15/72/1115431572.db2.gz GRTVZLHWRPCJSN-OAHLLOKOSA-N 2 0 325.472 2.191 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)ccc1C ZINC001567989773 1124218238 /nfs/dbraw/zinc/21/82/38/1124218238.db2.gz UAOXAHCXAPGVQJ-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567990127 1124218410 /nfs/dbraw/zinc/21/84/10/1124218410.db2.gz AKKUONNERHQXFO-AWEZNQCLSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001568068523 1124274032 /nfs/dbraw/zinc/27/40/32/1124274032.db2.gz YPHMVKMMXGAYHS-NVXWUHKLSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001568085312 1124290873 /nfs/dbraw/zinc/29/08/73/1124290873.db2.gz WWZDDIKKSZUTHL-QGZVFWFLSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1csc(C)n1 ZINC001568638870 1124651995 /nfs/dbraw/zinc/65/19/95/1124651995.db2.gz HKKNZNLYBOMJOV-BBRMVZONSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001568664509 1124678366 /nfs/dbraw/zinc/67/83/66/1124678366.db2.gz NIDPZOCZFQVBOH-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001568678823 1124690543 /nfs/dbraw/zinc/69/05/43/1124690543.db2.gz ZBOGZIZKHTYRIX-ZDUSSCGKSA-N 2 0 340.537 2.414 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001568699964 1124715430 /nfs/dbraw/zinc/71/54/30/1124715430.db2.gz JAYGGHMGWHFKMV-KXBFYZLASA-N 2 0 347.503 2.287 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568713646 1124731744 /nfs/dbraw/zinc/73/17/44/1124731744.db2.gz HQZRUGARPRINDC-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568923457 1124951747 /nfs/dbraw/zinc/95/17/47/1124951747.db2.gz RAUTYSHOPZGHCS-FKZVPDJJSA-N 2 0 347.478 2.342 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)sn1 ZINC001568932113 1124963231 /nfs/dbraw/zinc/96/32/31/1124963231.db2.gz NXDKDNOVIMZQEL-LUQLLCLNSA-N 2 0 348.516 2.230 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568969155 1125006076 /nfs/dbraw/zinc/00/60/76/1125006076.db2.gz IZBMUXLJYRVYSW-PYTPGESOSA-N 2 0 333.451 2.462 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1F ZINC001568969427 1125006851 /nfs/dbraw/zinc/00/68/51/1125006851.db2.gz LRVRPEITBZQSPD-PLNGDYQASA-N 2 0 325.403 2.067 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001569138884 1125120956 /nfs/dbraw/zinc/12/09/56/1125120956.db2.gz HLVLYWHNXYUGFE-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C/c1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001569326783 1125230900 /nfs/dbraw/zinc/23/09/00/1125230900.db2.gz BERAMTWPXGRWTF-ZLHKHBAESA-N 2 0 339.483 2.280 10 0 EEAERP C[C@](O)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173949250 231077591 /nfs/dbraw/zinc/07/75/91/231077591.db2.gz LSEVQQYDRPAGKV-FQEVSTJZSA-N 2 0 332.488 2.471 10 0 EEAERP CC(C)CNC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725271310 539991976 /nfs/dbraw/zinc/99/19/76/539991976.db2.gz BYCOEEAWIGIXTL-YPMHNXCESA-N 2 0 325.482 2.090 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000183664954 235189315 /nfs/dbraw/zinc/18/93/15/235189315.db2.gz TWQREVAHWGVQRC-UHFFFAOYSA-N 2 0 330.407 2.278 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000369540447 283096408 /nfs/dbraw/zinc/09/64/08/283096408.db2.gz JGNPZDGCNMVUFR-AQEOSJORSA-N 2 0 334.508 2.129 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423096159 240363660 /nfs/dbraw/zinc/36/36/60/240363660.db2.gz HAMKHHHATMIABK-INIZCTEOSA-N 2 0 341.883 2.020 10 0 EEAERP COC(=O)CCC[NH+]1CCC(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000342789476 283785504 /nfs/dbraw/zinc/78/55/04/283785504.db2.gz BVAKQRBMEYMQCD-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1OC(F)F ZINC000422813457 240240912 /nfs/dbraw/zinc/24/09/12/240240912.db2.gz RZCVQUPSORHQEQ-CYZMBNFOSA-N 2 0 330.375 2.139 10 0 EEAERP C[C@@H]1C[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838491 240255248 /nfs/dbraw/zinc/25/52/48/240255248.db2.gz OOFXZIIXGORMDB-OTNPHJDUSA-N 2 0 343.515 2.396 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422882983 240274372 /nfs/dbraw/zinc/27/43/72/240274372.db2.gz PVLIWJQOPQQWRN-DYVFJYSZSA-N 2 0 334.464 2.375 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079620543 217244700 /nfs/dbraw/zinc/24/47/00/217244700.db2.gz YQYSSTDUCQATME-QGZVFWFLSA-N 2 0 326.529 2.336 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000074713255 285184239 /nfs/dbraw/zinc/18/42/39/285184239.db2.gz TTWRPIVCPKCSOJ-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP CCN(C)c1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000191333075 152249445 /nfs/dbraw/zinc/24/94/45/152249445.db2.gz NVQDHTHJWBIDLU-LJQANCHMSA-N 2 0 345.535 2.140 10 0 EEAERP C[C@H]1C[NH+](CCOc2ccc(CCNC3=[NH+]CCCN3)cc2)C[C@@H]1C ZINC000263134067 152383872 /nfs/dbraw/zinc/38/38/72/152383872.db2.gz HMAGFOWXPNUKHN-IRXDYDNUSA-N 2 0 344.503 2.135 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000249744472 160384965 /nfs/dbraw/zinc/38/49/65/160384965.db2.gz LNKGQCWRSKKWLB-ROUUACIJSA-N 2 0 330.476 2.044 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000068887144 159023666 /nfs/dbraw/zinc/02/36/66/159023666.db2.gz HXIVDUUDTANJCK-GOSISDBHSA-N 2 0 336.524 2.425 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(C)C ZINC000102559662 159265330 /nfs/dbraw/zinc/26/53/30/159265330.db2.gz KTHKXFXMDAWASP-SFHVURJKSA-N 2 0 334.508 2.189 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182554351 159958889 /nfs/dbraw/zinc/95/88/89/159958889.db2.gz QESXMGMEHFLZGZ-MSOLQXFVSA-N 2 0 336.524 2.234 10 0 EEAERP CCS(=O)(=O)CCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000190390221 160159877 /nfs/dbraw/zinc/15/98/77/160159877.db2.gz IECLESVOWXZXNR-UHFFFAOYSA-N 2 0 330.538 2.399 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000246564758 160284871 /nfs/dbraw/zinc/28/48/71/160284871.db2.gz UPGXJMSLBMRVAI-DNVCBOLYSA-N 2 0 338.455 2.181 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000376784900 167392450 /nfs/dbraw/zinc/39/24/50/167392450.db2.gz RBRWZLJOXPQIPA-NVXWUHKLSA-N 2 0 342.487 2.348 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000376786791 167393530 /nfs/dbraw/zinc/39/35/30/167393530.db2.gz HRTSMIBPRAAVOE-MRXNPFEDSA-N 2 0 348.516 2.375 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000272686912 269008858 /nfs/dbraw/zinc/00/88/58/269008858.db2.gz BQLNQRVSGDVMRG-IPELMVKDSA-N 2 0 342.487 2.381 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000416031165 277167384 /nfs/dbraw/zinc/16/73/84/277167384.db2.gz OBGUMWXLPNPPGN-IHRRRGAJSA-N 2 0 344.381 2.011 10 0 EEAERP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000192003370 280085028 /nfs/dbraw/zinc/08/50/28/280085028.db2.gz ZLYMCLYESPVATE-ZBFHGGJFSA-N 2 0 328.497 2.131 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000426500564 289114207 /nfs/dbraw/zinc/11/42/07/289114207.db2.gz NYFNGQJVYMVIPZ-DAWZGUTISA-N 2 0 338.540 2.480 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066187338 289206886 /nfs/dbraw/zinc/20/68/86/289206886.db2.gz XFYMRNKFUGIAQZ-OALUTQOASA-N 2 0 344.503 2.039 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000265165769 289223413 /nfs/dbraw/zinc/22/34/13/289223413.db2.gz HJSXYJFTSZWIOC-ROUUACIJSA-N 2 0 348.466 2.313 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@H]3C[N@H+](C)CC[C@H]31)C2 ZINC000245967883 290172977 /nfs/dbraw/zinc/17/29/77/290172977.db2.gz NPFAERBUGJKQPV-XWDNEUNKSA-N 2 0 334.508 2.127 10 0 EEAERP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000293561301 293240099 /nfs/dbraw/zinc/24/00/99/293240099.db2.gz APJHRWXYYOYSIE-OAHLLOKOSA-N 2 0 339.505 2.251 10 0 EEAERP [NH3+]C1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000333311028 312128411 /nfs/dbraw/zinc/12/84/11/312128411.db2.gz RVKDCJVIPDZDLP-HTAVTVPLSA-N 2 0 325.815 2.444 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333390804 312139851 /nfs/dbraw/zinc/13/98/51/312139851.db2.gz OUEFVSWBHBRSPG-QAPCUYQASA-N 2 0 345.491 2.048 10 0 EEAERP COCCOc1cc2c(cc1C[NH2+]CCC[C@H]1CCC[NH2+]1)OCO2 ZINC000414976408 313118990 /nfs/dbraw/zinc/11/89/90/313118990.db2.gz PWRRBEGWFHKLSA-HNNXBMFYSA-N 2 0 336.432 2.062 10 0 EEAERP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C[NH3+] ZINC000416872978 313343048 /nfs/dbraw/zinc/34/30/48/313343048.db2.gz MSGCJOQQWSLMLK-LPHOPBHVSA-N 2 0 344.503 2.409 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000416891363 313351011 /nfs/dbraw/zinc/35/10/11/313351011.db2.gz URAINESFTDLHFP-CRAIPNDOSA-N 2 0 332.492 2.326 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000417008630 313392124 /nfs/dbraw/zinc/39/21/24/313392124.db2.gz MFCHNJYJFMRRDW-VNQPRFMTSA-N 2 0 338.521 2.428 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417186551 313443393 /nfs/dbraw/zinc/44/33/93/313443393.db2.gz WUQNMXDOYOFMHT-ROUUACIJSA-N 2 0 344.434 2.428 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000417220645 313454142 /nfs/dbraw/zinc/45/41/42/313454142.db2.gz YPHQHPFKMVBXGF-RDCJPKHASA-N 2 0 336.524 2.421 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000418162879 313730963 /nfs/dbraw/zinc/73/09/63/313730963.db2.gz DDRISWNZCRXVPE-GDAAHCPNSA-N 2 0 344.503 2.319 10 0 EEAERP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000525991469 317102265 /nfs/dbraw/zinc/10/22/65/317102265.db2.gz OJVRCWSMDOVHCI-UNEWFSDZSA-N 2 0 330.476 2.381 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccsc1Br)CN1CC[NH+](C)CC1 ZINC000527654640 317237534 /nfs/dbraw/zinc/23/75/34/317237534.db2.gz UORSWVJJHMALFY-LBPRGKRZSA-N 2 0 346.338 2.484 10 0 EEAERP COc1cccc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530240481 317703593 /nfs/dbraw/zinc/70/35/93/317703593.db2.gz LXOAPLIAYXRIMC-IBGZPJMESA-N 2 0 334.460 2.165 10 0 EEAERP CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000542466397 318130362 /nfs/dbraw/zinc/13/03/62/318130362.db2.gz IIWBMXHCZSZLML-MRXNPFEDSA-N 2 0 341.459 2.314 10 0 EEAERP O=C(c1cc(CN2CCCC2)on1)N1CCC(c2c[nH]cn2)CC1 ZINC000564645188 319097120 /nfs/dbraw/zinc/09/71/20/319097120.db2.gz HSCYJACBDPYAQI-UHFFFAOYSA-N 2 0 329.404 2.013 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000572118374 319816966 /nfs/dbraw/zinc/81/69/66/319816966.db2.gz ARWRYVPMKYPGBU-KUHUBIRLSA-N 2 0 338.455 2.474 10 0 EEAERP CC1(C)COC[C@@H]1[NH2+]Cc1cncc(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000572931750 319889031 /nfs/dbraw/zinc/88/90/31/319889031.db2.gz FVZFFHRRXGFZAI-IRXDYDNUSA-N 2 0 333.476 2.111 10 0 EEAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000575179861 320093518 /nfs/dbraw/zinc/09/35/18/320093518.db2.gz WSOMKPQVVQTIMK-CEXWTWQISA-N 2 0 341.430 2.477 10 0 EEAERP C[C@H]1COCC[N@@H+]1C1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000576765398 320202022 /nfs/dbraw/zinc/20/20/22/320202022.db2.gz HWOGNDGLZPZING-RXVVDRJESA-N 2 0 343.515 2.446 10 0 EEAERP C[C@@H]1COCC[N@@H+]1C1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000576765396 320202226 /nfs/dbraw/zinc/20/22/26/320202226.db2.gz HWOGNDGLZPZING-NQIIRXRSSA-N 2 0 343.515 2.446 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000577269253 320246166 /nfs/dbraw/zinc/24/61/66/320246166.db2.gz MAZDRWPUCGVZAH-PKOBYXMFSA-N 2 0 348.466 2.214 10 0 EEAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000590659181 468298125 /nfs/dbraw/zinc/29/81/25/468298125.db2.gz NEXPTEGFZLCKAR-MSOLQXFVSA-N 2 0 334.460 2.448 10 0 EEAERP COc1cccc(C[NH2+]CCC[NH2+]Cc2cccc(OC)c2O)c1O ZINC000001760877 462586303 /nfs/dbraw/zinc/58/63/03/462586303.db2.gz OAUJEJBYBDLLAM-UHFFFAOYSA-N 2 0 346.427 2.385 10 0 EEAERP CC(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000067264655 462984305 /nfs/dbraw/zinc/98/43/05/462984305.db2.gz ZKFKMDHBQDWZMK-UHFFFAOYSA-N 2 0 347.503 2.477 10 0 EEAERP CC(=O)Nc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121147803 463087694 /nfs/dbraw/zinc/08/76/94/463087694.db2.gz FOMDGJWUPQXAHE-HNNXBMFYSA-N 2 0 333.476 2.170 10 0 EEAERP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950167 463356504 /nfs/dbraw/zinc/35/65/04/463356504.db2.gz YOZUDNLYABCPJP-OAHLLOKOSA-N 2 0 344.459 2.434 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000553222356 468355976 /nfs/dbraw/zinc/35/59/76/468355976.db2.gz OFZDURPYXDKZGY-OAHLLOKOSA-N 2 0 330.476 2.027 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000185881203 463897245 /nfs/dbraw/zinc/89/72/45/463897245.db2.gz MBRTYNBQMVQLSC-MRXNPFEDSA-N 2 0 327.476 2.192 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]([NH2+]C)C2)CC1 ZINC000262136156 463956794 /nfs/dbraw/zinc/95/67/94/463956794.db2.gz YQBPXEAVDGKTCV-IBGZPJMESA-N 2 0 330.520 2.402 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179196329 464078970 /nfs/dbraw/zinc/07/89/70/464078970.db2.gz PYJGGCITLATSMC-OQIJWPOYSA-N 2 0 344.503 2.460 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000523359298 468390320 /nfs/dbraw/zinc/39/03/20/468390320.db2.gz ZESMQJIIHLWKHD-MRXNPFEDSA-N 2 0 333.476 2.087 10 0 EEAERP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)CC(F)(F)F ZINC000189878318 464559993 /nfs/dbraw/zinc/55/99/93/464559993.db2.gz DFEBLVFTRLGVAM-HNNXBMFYSA-N 2 0 338.414 2.124 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246246930 464562423 /nfs/dbraw/zinc/56/24/23/464562423.db2.gz OVEKZQMJPZASTI-ZACQAIPSSA-N 2 0 348.491 2.444 10 0 EEAERP CN1CC[N@H+](C)C[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272384249 464587335 /nfs/dbraw/zinc/58/73/35/464587335.db2.gz FTLBBOSXKROZDM-BURNTYAHSA-N 2 0 342.531 2.017 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247413262 464677041 /nfs/dbraw/zinc/67/70/41/464677041.db2.gz QGRANGRCCYANJG-KURKYZTESA-N 2 0 336.524 2.377 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000191207704 464797933 /nfs/dbraw/zinc/79/79/33/464797933.db2.gz NXSHIDBFPQMKHL-UHFFFAOYSA-N 2 0 334.508 2.376 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000249083382 464836854 /nfs/dbraw/zinc/83/68/54/464836854.db2.gz SUJYJPFXXMHYCQ-NRFANRHFSA-N 2 0 344.547 2.391 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000252486543 464964155 /nfs/dbraw/zinc/96/41/55/464964155.db2.gz LFGXZMQRGFMNEB-MSOLQXFVSA-N 2 0 347.528 2.205 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)[NH+](C)C1CC1 ZINC000371075311 465582974 /nfs/dbraw/zinc/58/29/74/465582974.db2.gz PRXMSCPIJMKTSZ-FSPWUOQZSA-N 2 0 348.466 2.353 10 0 EEAERP Cc1cnn(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000371160977 465626364 /nfs/dbraw/zinc/62/63/64/465626364.db2.gz RMFCLAFZZSIGNL-UHFFFAOYSA-N 2 0 347.551 2.320 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccc1O ZINC000299684774 465855902 /nfs/dbraw/zinc/85/59/02/465855902.db2.gz UOSOEUSQKQCTDA-SFHVURJKSA-N 2 0 347.503 2.199 10 0 EEAERP CCOC(=O)c1cnn(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000367150392 466160477 /nfs/dbraw/zinc/16/04/77/466160477.db2.gz FCCFNOICMAZYHW-INIZCTEOSA-N 2 0 348.491 2.489 10 0 EEAERP CN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349806806 466249615 /nfs/dbraw/zinc/24/96/15/466249615.db2.gz LBYLFQFRMGJBGI-HKUYNNGSSA-N 2 0 342.487 2.139 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)C(=O)NCC[NH+](C)C ZINC000347197766 466468869 /nfs/dbraw/zinc/46/88/69/466468869.db2.gz BGVDESUXLPSTGL-WBVHZDCISA-N 2 0 337.512 2.207 10 0 EEAERP CC1=CCN(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423030629 466690389 /nfs/dbraw/zinc/69/03/89/466690389.db2.gz CBFZEWUUUMTIRS-ICSRJNTNSA-N 2 0 327.472 2.484 10 0 EEAERP CN(Cc1nc2ccccc2o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373214998 466729929 /nfs/dbraw/zinc/72/99/29/466729929.db2.gz HOIRKFDITIBBHN-MRXNPFEDSA-N 2 0 328.460 2.428 10 0 EEAERP CC[NH+](CC)Cc1cccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000373346916 466773686 /nfs/dbraw/zinc/77/36/86/466773686.db2.gz KHUSFUBNQLGHJW-ALOPSCKCSA-N 2 0 343.471 2.282 10 0 EEAERP CC(C)(C)[NH+]1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417170476 466794496 /nfs/dbraw/zinc/79/44/96/466794496.db2.gz CXFCSMYRXOZFBY-UHFFFAOYSA-N 2 0 346.519 2.462 10 0 EEAERP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000668477182 472140394 /nfs/dbraw/zinc/14/03/94/472140394.db2.gz WXLNXUGHRMRTGW-LZQZEXGQSA-N 2 0 333.476 2.206 10 0 EEAERP COc1ccccc1[C@@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000662678138 472201459 /nfs/dbraw/zinc/20/14/59/472201459.db2.gz BOKDDGWYBAGXQU-MRXNPFEDSA-N 2 0 331.460 2.220 10 0 EEAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000417939726 466995360 /nfs/dbraw/zinc/99/53/60/466995360.db2.gz KWOZBASQBSWDPF-OALUTQOASA-N 2 0 344.503 2.463 10 0 EEAERP C[C@]1(C[NH3+])CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418042521 467031524 /nfs/dbraw/zinc/03/15/24/467031524.db2.gz LVCCBTUPRTYWRK-UXHICEINSA-N 2 0 344.503 2.421 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccc2ccccc2c1 ZINC000418253767 467084591 /nfs/dbraw/zinc/08/45/91/467084591.db2.gz ZIXUUCHROABPQO-QFBILLFUSA-N 2 0 349.438 2.419 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418583506 467131584 /nfs/dbraw/zinc/13/15/84/467131584.db2.gz AYOFYEDJAZSYPG-AOIWGVFYSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000418587322 467132408 /nfs/dbraw/zinc/13/24/08/467132408.db2.gz GMWVIGLBLJGTEP-RDJZCZTQSA-N 2 0 332.492 2.194 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000418652842 467141215 /nfs/dbraw/zinc/14/12/15/467141215.db2.gz NMYKNVDACKHPJU-OLMNPRSZSA-N 2 0 332.492 2.230 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418700231 467147837 /nfs/dbraw/zinc/14/78/37/467147837.db2.gz FJXVSYLAYKPJFJ-IRXDYDNUSA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000418709844 467149021 /nfs/dbraw/zinc/14/90/21/467149021.db2.gz VEQHOMINZBPFMJ-OLZOCXBDSA-N 2 0 326.872 2.149 10 0 EEAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377897612 467161822 /nfs/dbraw/zinc/16/18/22/467161822.db2.gz BGDNKPUAOXUZMF-CRAIPNDOSA-N 2 0 327.488 2.389 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450902994 467202735 /nfs/dbraw/zinc/20/27/35/467202735.db2.gz YPYRPKYOBHRINC-QFBILLFUSA-N 2 0 341.455 2.377 10 0 EEAERP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ncn1 ZINC000428210397 467212997 /nfs/dbraw/zinc/21/29/97/467212997.db2.gz SRSHAONMABZVFK-UHFFFAOYSA-N 2 0 345.535 2.413 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433933850 467365140 /nfs/dbraw/zinc/36/51/40/467365140.db2.gz VKFJIEGFPGJSKK-HTWSVDAQSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1CC[NH3+] ZINC000383445732 467380299 /nfs/dbraw/zinc/38/02/99/467380299.db2.gz IGUIFMXFIWKGJA-INIZCTEOSA-N 2 0 325.456 2.438 10 0 EEAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388520627 467396652 /nfs/dbraw/zinc/39/66/52/467396652.db2.gz QILXAZJEXKQFIW-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000414292970 467398254 /nfs/dbraw/zinc/39/82/54/467398254.db2.gz BGXQXJVRHJKITB-GOSISDBHSA-N 2 0 342.487 2.488 10 0 EEAERP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404427880 467473674 /nfs/dbraw/zinc/47/36/74/467473674.db2.gz MWDDNBOPBQCAMV-AXVVYFOYSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC000449064249 467616328 /nfs/dbraw/zinc/61/63/28/467616328.db2.gz UBFGOQMWDGDFFY-INIZCTEOSA-N 2 0 329.488 2.198 10 0 EEAERP COCC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449145622 467620662 /nfs/dbraw/zinc/62/06/62/467620662.db2.gz YMMPJGPLVHXXIG-YLJYHZDGSA-N 2 0 334.504 2.459 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(CCO)CCOC2)CC1 ZINC000449189596 467622602 /nfs/dbraw/zinc/62/26/02/467622602.db2.gz PODYCUJVMLBRLC-RXVVDRJESA-N 2 0 346.515 2.461 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000457919290 467729717 /nfs/dbraw/zinc/72/97/17/467729717.db2.gz XHMVDDXGMNMRFX-MJGOQNOKSA-N 2 0 346.519 2.285 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000458596177 467864224 /nfs/dbraw/zinc/86/42/24/467864224.db2.gz WPEGYCVEGPHCBX-BHIYHBOVSA-N 2 0 344.503 2.463 10 0 EEAERP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC000514732462 467951904 /nfs/dbraw/zinc/95/19/04/467951904.db2.gz JJGCLJORWYDKJK-GOSISDBHSA-N 2 0 344.503 2.151 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000531443055 468053394 /nfs/dbraw/zinc/05/33/94/468053394.db2.gz VJDVRTSGKYEEGA-MJGOQNOKSA-N 2 0 342.487 2.349 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(=O)NCC[NH+](C)C ZINC000488434150 468086904 /nfs/dbraw/zinc/08/69/04/468086904.db2.gz OTYMKIMXIYHMGR-OWCLPIDISA-N 2 0 329.554 2.199 10 0 EEAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889843 468231727 /nfs/dbraw/zinc/23/17/27/468231727.db2.gz ZXCCHVMZRMRSCI-IBGZPJMESA-N 2 0 331.460 2.489 10 0 EEAERP C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000573306746 469103195 /nfs/dbraw/zinc/10/31/95/469103195.db2.gz KBEPDDIGDCDPSV-GFCCVEGCSA-N 2 0 332.423 2.243 10 0 EEAERP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CC[NH2+]C ZINC000573327522 469108488 /nfs/dbraw/zinc/10/84/88/469108488.db2.gz OKQFCYSMBVDDTF-YJBOKZPZSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625939790 469442558 /nfs/dbraw/zinc/44/25/58/469442558.db2.gz OVVUMUGKLIKHMD-UHFFFAOYSA-N 2 0 334.464 2.268 10 0 EEAERP [NH3+]C1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000629522112 469571374 /nfs/dbraw/zinc/57/13/74/469571374.db2.gz XVOPDUFATWMYNK-ZDUSSCGKSA-N 2 0 339.277 2.404 10 0 EEAERP [NH3+]C1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000629522111 469572117 /nfs/dbraw/zinc/57/21/17/469572117.db2.gz XVOPDUFATWMYNK-CYBMUJFWSA-N 2 0 339.277 2.404 10 0 EEAERP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000629524461 469572535 /nfs/dbraw/zinc/57/25/35/469572535.db2.gz MKOYODOBZUVXRE-VAMGGRTRSA-N 2 0 343.515 2.385 10 0 EEAERP C[C@@]1(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612902166 469575991 /nfs/dbraw/zinc/57/59/91/469575991.db2.gz RBFYCPKWRKWIQK-RTBURBONSA-N 2 0 330.476 2.092 10 0 EEAERP CN(c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1)S(C)(=O)=O ZINC000623414939 469650059 /nfs/dbraw/zinc/65/00/59/469650059.db2.gz VMCDCRKGHSXPSG-OAHLLOKOSA-N 2 0 339.505 2.045 10 0 EEAERP CCc1cc(N2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416583 469650470 /nfs/dbraw/zinc/65/04/70/469650470.db2.gz ACKJHWLFYXRTCP-DLBZAZTESA-N 2 0 331.508 2.470 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000626957981 469768312 /nfs/dbraw/zinc/76/83/12/469768312.db2.gz IOBKCHNMKVKNHZ-OFQRWUPVSA-N 2 0 336.505 2.010 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C[NH2+]1 ZINC000627208523 469844824 /nfs/dbraw/zinc/84/48/24/469844824.db2.gz YBCGXDWEBPXYOD-ZIFCJYIRSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000627238622 469853291 /nfs/dbraw/zinc/85/32/91/469853291.db2.gz KKZSJUPONAUPKU-DOTOQJQBSA-N 2 0 330.476 2.043 10 0 EEAERP CCOc1cncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000621370517 470038788 /nfs/dbraw/zinc/03/87/88/470038788.db2.gz KMEKVFSVLVKILR-IBGZPJMESA-N 2 0 341.455 2.337 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000632951366 470296011 /nfs/dbraw/zinc/29/60/11/470296011.db2.gz UIEHQFWHDALNRX-UHFFFAOYSA-N 2 0 331.464 2.065 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000632950755 470296451 /nfs/dbraw/zinc/29/64/51/470296451.db2.gz NPEPLBRAHILJTE-HNNXBMFYSA-N 2 0 345.491 2.236 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000633103735 470351453 /nfs/dbraw/zinc/35/14/53/470351453.db2.gz RVCMSKKCNDBTOL-HNNXBMFYSA-N 2 0 326.529 2.479 10 0 EEAERP O=C1NCC[C@H]1[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639726039 470637186 /nfs/dbraw/zinc/63/71/86/470637186.db2.gz RDXOQMAESVCOCS-GOSISDBHSA-N 2 0 327.472 2.253 10 0 EEAERP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000647001696 470801555 /nfs/dbraw/zinc/80/15/55/470801555.db2.gz PAYIPTRUZRUGOP-LSDHHAIUSA-N 2 0 342.447 2.167 10 0 EEAERP C(=C\C[NH2+][C@@H]1CCCn2nccc21)\C[NH2+][C@@H]1CCCn2nccc21 ZINC000640221261 470828016 /nfs/dbraw/zinc/82/80/16/470828016.db2.gz VTPGASRKIRBQOW-AYYPDYFKSA-N 2 0 326.448 2.185 10 0 EEAERP CC(C)[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638514274 471128157 /nfs/dbraw/zinc/12/81/57/471128157.db2.gz RUBZEPLFOFUOQN-RBUKOAKNSA-N 2 0 327.472 2.403 10 0 EEAERP CCOc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657535357 471162560 /nfs/dbraw/zinc/16/25/60/471162560.db2.gz LFPKPVZWGLTBIS-UHFFFAOYSA-N 2 0 333.476 2.461 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000652121352 471239511 /nfs/dbraw/zinc/23/95/11/471239511.db2.gz FXMNFWRXHQQTJS-UHFFFAOYSA-N 2 0 332.492 2.327 10 0 EEAERP C[C@]1(CNC(=O)NCCC2(C[NH3+])CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000652180317 471251398 /nfs/dbraw/zinc/25/13/98/471251398.db2.gz PVMSAMIEVJVAFC-LJQANCHMSA-N 2 0 344.503 2.469 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)NCCC[N@H+](C)CC(C)C)cc1 ZINC000652220820 471257952 /nfs/dbraw/zinc/25/79/52/471257952.db2.gz KISJTJKOQRLNLG-HNNXBMFYSA-N 2 0 341.521 2.223 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH3+])cc2F)[C@@H](C)C1 ZINC000652276387 471265658 /nfs/dbraw/zinc/26/56/58/471265658.db2.gz UBCQUVCNUWQYKP-GUYCJALGSA-N 2 0 336.455 2.156 10 0 EEAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135486 471269467 /nfs/dbraw/zinc/26/94/67/471269467.db2.gz DYSPQUARSNHVNN-IEBWSBKVSA-N 2 0 340.471 2.154 10 0 EEAERP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652361120 471279528 /nfs/dbraw/zinc/27/95/28/471279528.db2.gz YLTVWDAQCRCLDN-NXHRZFHOSA-N 2 0 331.460 2.294 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOCC(F)(F)C(F)F)C1 ZINC000652364018 471280025 /nfs/dbraw/zinc/28/00/25/471280025.db2.gz VKCOHIJMTXPUBX-JHJVBQTASA-N 2 0 342.377 2.264 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655443263 471326982 /nfs/dbraw/zinc/32/69/82/471326982.db2.gz OUQIVYCJWGPIHZ-QUCCMNQESA-N 2 0 327.472 2.288 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000663502496 471402991 /nfs/dbraw/zinc/40/29/91/471402991.db2.gz HZEVJJCXIQFBKP-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000663502774 471403023 /nfs/dbraw/zinc/40/30/23/471403023.db2.gz LPELXPHDUHSMEG-UKRRQHHQSA-N 2 0 337.464 2.384 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000663506545 471403419 /nfs/dbraw/zinc/40/34/19/471403419.db2.gz UOQYSIYUPBLUBU-UHFFFAOYSA-N 2 0 336.505 2.101 10 0 EEAERP CN(CCCC[NH+](C)C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659036511 471477909 /nfs/dbraw/zinc/47/79/09/471477909.db2.gz CIAYTGICWIDYQT-KRWDZBQOSA-N 2 0 334.464 2.153 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000655785665 471481510 /nfs/dbraw/zinc/48/15/10/471481510.db2.gz MUZBZTGNRGPQHX-NMLBUPMWSA-N 2 0 332.488 2.274 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659038603 471481444 /nfs/dbraw/zinc/48/14/44/471481444.db2.gz TXYCODXXVMVMIC-KRWDZBQOSA-N 2 0 334.464 2.151 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413825 471484433 /nfs/dbraw/zinc/48/44/33/471484433.db2.gz BPYMKBOYHWJYIR-APWZRJJASA-N 2 0 344.503 2.196 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824770 471496131 /nfs/dbraw/zinc/49/61/31/471496131.db2.gz PBYKMQJUAKYICO-KURKYZTESA-N 2 0 349.519 2.214 10 0 EEAERP Cc1ccccc1C[C@@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000663737601 471497370 /nfs/dbraw/zinc/49/73/70/471497370.db2.gz XEMAPGISMCLELH-MSOLQXFVSA-N 2 0 348.535 2.497 10 0 EEAERP CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663765496 471508207 /nfs/dbraw/zinc/50/82/07/471508207.db2.gz SWTPUFGJXYFWAV-OALUTQOASA-N 2 0 346.519 2.285 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+]2CCCC2)cc1 ZINC000663870705 471557525 /nfs/dbraw/zinc/55/75/25/471557525.db2.gz ZCTYDFBFVSKFSI-IBGZPJMESA-N 2 0 344.503 2.335 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000659285662 471567313 /nfs/dbraw/zinc/56/73/13/471567313.db2.gz PUTLBYZMPCLBHW-LPHOPBHVSA-N 2 0 347.503 2.430 10 0 EEAERP CN(c1ccccc1CN[C@@H](C[NH3+])C(F)(F)F)C1CC[NH+](C)CC1 ZINC000656194071 471630091 /nfs/dbraw/zinc/63/00/91/471630091.db2.gz DSLJZZULWSZGMD-INIZCTEOSA-N 2 0 344.425 2.196 10 0 EEAERP CC[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1nccs1 ZINC000664186740 471668319 /nfs/dbraw/zinc/66/83/19/471668319.db2.gz GQBCPBZUSFOJHJ-UONOGXRCSA-N 2 0 341.525 2.165 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659576196 471683015 /nfs/dbraw/zinc/68/30/15/471683015.db2.gz FYQZFOMNXLPBNV-KZNAEPCWSA-N 2 0 344.503 2.304 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659579597 471685417 /nfs/dbraw/zinc/68/54/17/471685417.db2.gz JZCLUPUBFKSJPS-GUDVDZBRSA-N 2 0 344.503 2.258 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000659620142 471701183 /nfs/dbraw/zinc/70/11/83/471701183.db2.gz BJGXIEGPWVWCMR-MBNRZODZSA-N 2 0 344.503 2.400 10 0 EEAERP [NH3+]C/C=C/CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000667232467 471702324 /nfs/dbraw/zinc/70/23/24/471702324.db2.gz VLKPUWKECVAQHF-NSCUHMNNSA-N 2 0 332.448 2.188 10 0 EEAERP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000664560919 471795279 /nfs/dbraw/zinc/79/52/79/471795279.db2.gz UFKJFNMFSQMOML-CYBMUJFWSA-N 2 0 342.434 2.209 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000656790123 471842090 /nfs/dbraw/zinc/84/20/90/471842090.db2.gz LMIOVWOZKMLCDP-OAOQPFQOSA-N 2 0 335.467 2.258 10 0 EEAERP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000664871089 471885946 /nfs/dbraw/zinc/88/59/46/471885946.db2.gz SSQGTWXWQUHYHZ-MAUKXSAKSA-N 2 0 332.492 2.189 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667833699 471921768 /nfs/dbraw/zinc/92/17/68/471921768.db2.gz YKHYBUGZRNFKEO-CQSZACIVSA-N 2 0 334.439 2.467 10 0 EEAERP COc1cc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1OC(F)F ZINC000662250150 472041148 /nfs/dbraw/zinc/04/11/48/472041148.db2.gz ZFKJSZZWXDINOO-ZDUSSCGKSA-N 2 0 342.386 2.249 10 0 EEAERP Fc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254279 472044925 /nfs/dbraw/zinc/04/49/25/472044925.db2.gz OXIPUJUMYIHWQD-MSOLQXFVSA-N 2 0 334.435 2.328 10 0 EEAERP CCC[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1CCOC ZINC000662281158 472054456 /nfs/dbraw/zinc/05/44/56/472054456.db2.gz UHBJKCUCMDDRAD-IBGZPJMESA-N 2 0 331.504 2.265 10 0 EEAERP Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325273 472072700 /nfs/dbraw/zinc/07/27/00/472072700.db2.gz KSVKRMFPANWSDS-KRWDZBQOSA-N 2 0 333.476 2.366 10 0 EEAERP C[NH+](C)[C@]1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCSC1 ZINC000662489882 472125371 /nfs/dbraw/zinc/12/53/71/472125371.db2.gz YDGXETALBURUPB-APWZRJJASA-N 2 0 347.528 2.232 10 0 EEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662739326 472229465 /nfs/dbraw/zinc/22/94/65/472229465.db2.gz MTXIAWHOOGCMHI-XYJFISCASA-N 2 0 329.488 2.259 10 0 EEAERP C[C@H]1C[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1Cc1ccccc1 ZINC000662748040 472233719 /nfs/dbraw/zinc/23/37/19/472233719.db2.gz JSFSUBDYGBXFLO-ZFWWWQNUSA-N 2 0 342.443 2.261 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662788235 472251289 /nfs/dbraw/zinc/25/12/89/472251289.db2.gz LEGBYIHYUUSNOF-MJBXVCDLSA-N 2 0 334.464 2.346 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674047300 485623428 /nfs/dbraw/zinc/62/34/28/485623428.db2.gz KCDQZDNWADAESV-WOJBJXKFSA-N 2 0 333.520 2.143 10 0 EEAERP CNC(=O)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000683777385 485636013 /nfs/dbraw/zinc/63/60/13/485636013.db2.gz GZCWOHREBWBBPI-SFHVURJKSA-N 2 0 333.476 2.021 10 0 EEAERP C[N@H+](CCOCC[NH3+])Cc1cc(Br)cc2cccnc21 ZINC000629577882 485734872 /nfs/dbraw/zinc/73/48/72/485734872.db2.gz KLCKKQZGEIZTPK-UHFFFAOYSA-N 2 0 338.249 2.404 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000673186804 486290153 /nfs/dbraw/zinc/29/01/53/486290153.db2.gz WLOZHOXUZIEWEC-DLBZAZTESA-N 2 0 332.492 2.243 10 0 EEAERP CCC[C@H](C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[NH+](C)C ZINC000187406299 527988783 /nfs/dbraw/zinc/98/87/83/527988783.db2.gz ZKBKZPHMOCNPGO-GOSISDBHSA-N 2 0 332.492 2.497 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179470783 528896783 /nfs/dbraw/zinc/89/67/83/528896783.db2.gz FUKRZGCXRYHZNX-QZTJIDSGSA-N 2 0 332.492 2.413 10 0 EEAERP [NH3+][C@@H]1CC[C@H](CNN2CCO[C@H](c3c(F)cccc3Cl)C2)C1 ZINC000926170576 676669776 /nfs/dbraw/zinc/66/97/76/676669776.db2.gz LGUMINFCVSBAIN-ZOWXZIJZSA-N 2 0 327.831 2.484 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CO1 ZINC000895085073 683803116 /nfs/dbraw/zinc/80/31/16/683803116.db2.gz UWFQNAHHISZXHT-ZWNOBZJWSA-N 2 0 328.359 2.337 10 0 EEAERP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1F ZINC000895749939 684710474 /nfs/dbraw/zinc/71/04/74/684710474.db2.gz WBFUYJBXJOWVLB-GOSISDBHSA-N 2 0 329.419 2.383 10 0 EEAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000925154025 687060251 /nfs/dbraw/zinc/06/02/51/687060251.db2.gz GYWZJAYZFWECAA-MRXNPFEDSA-N 2 0 332.492 2.388 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000924642873 693040302 /nfs/dbraw/zinc/04/03/02/693040302.db2.gz MOPAUMONTSRVBG-MOPGFXCFSA-N 2 0 347.503 2.106 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCC[NH+]2CCN(C)CC2)n(C)n1 ZINC000924663905 693102425 /nfs/dbraw/zinc/10/24/25/693102425.db2.gz YCUWDHBDQOJSQH-ICSRJNTNSA-N 2 0 347.551 2.057 10 0 EEAERP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000924724547 693283258 /nfs/dbraw/zinc/28/32/58/693283258.db2.gz ZQDWDUBBYABOBW-IAGOWNOFSA-N 2 0 331.504 2.195 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000905296036 694589808 /nfs/dbraw/zinc/58/98/08/694589808.db2.gz MBUCPBVRKHCZCR-KBPBESRZSA-N 2 0 344.381 2.492 10 0 EEAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2)C1 ZINC001485508993 1191819857 /nfs/dbraw/zinc/81/98/57/1191819857.db2.gz GFSCBISQFBWZEF-LPHOPBHVSA-N 2 0 329.488 2.498 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001485679305 1191895100 /nfs/dbraw/zinc/89/51/00/1191895100.db2.gz LVRFNIWNMRSPTN-KBAYOESNSA-N 2 0 349.906 2.461 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(Cl)nc1 ZINC001480863878 1176082431 /nfs/dbraw/zinc/08/24/31/1176082431.db2.gz HAYYLHOQFXHZOT-HNNXBMFYSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865236 1176133190 /nfs/dbraw/zinc/13/31/90/1176133190.db2.gz GBBMKZBMKHXHMD-QFBILLFUSA-N 2 0 329.488 2.446 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001266459694 1176574765 /nfs/dbraw/zinc/57/47/65/1176574765.db2.gz SQLHLWUFZWKOQJ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC001266664112 1177086849 /nfs/dbraw/zinc/08/68/49/1177086849.db2.gz UODPZXXCCZHRNX-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCCc2ccccc2)C1 ZINC001670725192 1177090991 /nfs/dbraw/zinc/09/09/91/1177090991.db2.gz XLIOGGZRJIJSJR-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001266851666 1177555196 /nfs/dbraw/zinc/55/51/96/1177555196.db2.gz BNZCQIMBDZLNCO-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001266963966 1177921295 /nfs/dbraw/zinc/92/12/95/1177921295.db2.gz JEHBCVOQNRBEJJ-HKUYNNGSSA-N 2 0 347.503 2.261 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345608 1177942310 /nfs/dbraw/zinc/94/23/10/1177942310.db2.gz FMCWCQBFACVRCW-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC1CCC1)[NH+](C)C ZINC001691378253 1177985379 /nfs/dbraw/zinc/98/53/79/1177985379.db2.gz BXRDCTAGLHJJBS-RYRKJORJSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001266989072 1178046131 /nfs/dbraw/zinc/04/61/31/1178046131.db2.gz RVHWDFMGYFRJSG-HNNXBMFYSA-N 2 0 329.847 2.367 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267083979 1178207580 /nfs/dbraw/zinc/20/75/80/1178207580.db2.gz DZSNVPGZLZCMMO-MSOLQXFVSA-N 2 0 347.503 2.068 10 0 EEAERP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267111276 1178267785 /nfs/dbraw/zinc/26/77/85/1178267785.db2.gz HNLKRVKJQCPLFF-KRWDZBQOSA-N 2 0 341.540 2.314 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCCCF ZINC001279578260 1178301089 /nfs/dbraw/zinc/30/10/89/1178301089.db2.gz XKLDSWWDMHEXDD-GVDBMIGSSA-N 2 0 325.472 2.286 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267138663 1178313356 /nfs/dbraw/zinc/31/33/56/1178313356.db2.gz YOUIJMVHVUQIMW-OAHLLOKOSA-N 2 0 327.432 2.332 10 0 EEAERP CCCOc1cccc(C[N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001480936865 1178922828 /nfs/dbraw/zinc/92/28/28/1178922828.db2.gz UAFCYFRWERRHAR-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@@H]1CCc2ccccc2C1 ZINC001480997621 1179450862 /nfs/dbraw/zinc/45/08/62/1179450862.db2.gz IBFTUTCDQZRTLZ-QGZVFWFLSA-N 2 0 331.504 2.181 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001481043805 1179613996 /nfs/dbraw/zinc/61/39/96/1179613996.db2.gz FVWZIPFKVJFFGA-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1cncc(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001481103359 1179744515 /nfs/dbraw/zinc/74/45/15/1179744515.db2.gz TVWBNCFDFAESLQ-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481108210 1179756709 /nfs/dbraw/zinc/75/67/09/1179756709.db2.gz RJVZVMSODFAOBV-QGZVFWFLSA-N 2 0 349.523 2.052 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481119504 1179796773 /nfs/dbraw/zinc/79/67/73/1179796773.db2.gz WBAKRDSNUULTMO-DLBZAZTESA-N 2 0 347.478 2.414 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(Cl)nc1 ZINC001481153511 1179940150 /nfs/dbraw/zinc/94/01/50/1179940150.db2.gz JNRVCPNVVIRNNV-UHFFFAOYSA-N 2 0 338.883 2.159 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481214836 1180289741 /nfs/dbraw/zinc/28/97/41/1180289741.db2.gz BEDOHOMQXNVIPG-AWEZNQCLSA-N 2 0 327.831 2.121 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1 ZINC001481245096 1180434192 /nfs/dbraw/zinc/43/41/92/1180434192.db2.gz CWBCWUSEACZRAT-PKOBYXMFSA-N 2 0 345.487 2.260 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267762978 1180442654 /nfs/dbraw/zinc/44/26/54/1180442654.db2.gz VEOIFNNFJNKVCH-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)CC[N@@H+]1C ZINC001267963059 1180855373 /nfs/dbraw/zinc/85/53/73/1180855373.db2.gz NPTGUSOVSYYYDD-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC001481340592 1181072135 /nfs/dbraw/zinc/07/21/35/1181072135.db2.gz SGXRHNLGOZJLEH-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)c1ocnc1C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481466065 1181483524 /nfs/dbraw/zinc/48/35/24/1181483524.db2.gz WKZKANMKHMRNPC-HOTGVXAUSA-N 2 0 348.491 2.078 10 0 EEAERP C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1)[NH+]1CCCCCC1 ZINC001481500864 1181577035 /nfs/dbraw/zinc/57/70/35/1181577035.db2.gz SGFPLUKSPKOEKH-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP C[N@H+](CCC(F)(F)F)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001481520257 1181635078 /nfs/dbraw/zinc/63/50/78/1181635078.db2.gz IRMBVTLLLIFOJO-HNNXBMFYSA-N 2 0 349.441 2.451 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCc2ccccc21)N(C)C(=O)CC[NH+](C)C ZINC001268082265 1181696192 /nfs/dbraw/zinc/69/61/92/1181696192.db2.gz BCFGPCHMFCMKEQ-FUHWJXTLSA-N 2 0 331.504 2.495 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268083089 1181697051 /nfs/dbraw/zinc/69/70/51/1181697051.db2.gz ARTCJHZFGCAFJM-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCc3cccc(F)c3)CC2)CCC1 ZINC001670793703 1182087561 /nfs/dbraw/zinc/08/75/61/1182087561.db2.gz WPBFVNOYHZAGBN-UHFFFAOYSA-N 2 0 347.478 2.481 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001268370514 1182358784 /nfs/dbraw/zinc/35/87/84/1182358784.db2.gz JVFUVUBASJXWAH-YJBOKZPZSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001268375518 1182389879 /nfs/dbraw/zinc/38/98/79/1182389879.db2.gz PFICZVSIZJAHNI-GFCCVEGCSA-N 2 0 341.390 2.395 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379376 1182403962 /nfs/dbraw/zinc/40/39/62/1182403962.db2.gz QYFWKSSPFQVBLF-NEPJUHHUSA-N 2 0 344.912 2.265 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC(C)C)C2)C1 ZINC001481739441 1182458709 /nfs/dbraw/zinc/45/87/09/1182458709.db2.gz XYEIFBJYURMEIE-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001481777132 1182675839 /nfs/dbraw/zinc/67/58/39/1182675839.db2.gz DRFRIFXGZKAFKV-LJQANCHMSA-N 2 0 346.519 2.463 10 0 EEAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001481779476 1182681145 /nfs/dbraw/zinc/68/11/45/1182681145.db2.gz SZIOJGIXJIUXCP-IEBWSBKVSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001481855559 1182815220 /nfs/dbraw/zinc/81/52/20/1182815220.db2.gz MHNMDFGJLBDVIU-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001481855560 1182815870 /nfs/dbraw/zinc/81/58/70/1182815870.db2.gz MHNMDFGJLBDVIU-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCCF)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960223 1183042037 /nfs/dbraw/zinc/04/20/37/1183042037.db2.gz CHUWWRCUACRCFB-YJBOKZPZSA-N 2 0 327.488 2.343 10 0 EEAERP CCOCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481981233 1183075790 /nfs/dbraw/zinc/07/57/90/1183075790.db2.gz MCLMYTWVSKFSSC-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC001481982649 1183078524 /nfs/dbraw/zinc/07/85/24/1183078524.db2.gz CLGSAFQXGWWFCE-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001481989356 1183095288 /nfs/dbraw/zinc/09/52/88/1183095288.db2.gz KCYSGSFKQPEVHV-VQTJNVASSA-N 2 0 343.515 2.399 10 0 EEAERP CC[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001482016387 1183135387 /nfs/dbraw/zinc/13/53/87/1183135387.db2.gz CGGUBISSCBDZAV-BRSBDYLESA-N 2 0 339.524 2.303 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCc1ccccc1F ZINC001482103069 1183336238 /nfs/dbraw/zinc/33/62/38/1183336238.db2.gz XNKKFYWBEXUPHN-YJBOKZPZSA-N 2 0 347.478 2.052 10 0 EEAERP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C[NH2+]CC1CCCC1 ZINC001482120548 1183357755 /nfs/dbraw/zinc/35/77/55/1183357755.db2.gz AHMCUHIPGKUKDQ-HNNXBMFYSA-N 2 0 341.459 2.413 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC001268584244 1183372776 /nfs/dbraw/zinc/37/27/76/1183372776.db2.gz XPMSIDXWPXCUNV-ARJAWSKDSA-N 2 0 337.414 2.069 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001268631189 1183556411 /nfs/dbraw/zinc/55/64/11/1183556411.db2.gz XVSWGKMNGRCNBD-SNAWJCMRSA-N 2 0 328.460 2.270 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268686940 1183610171 /nfs/dbraw/zinc/61/01/71/1183610171.db2.gz SLUDTCPQUYQQSB-LZLYRXPVSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268753990 1183670224 /nfs/dbraw/zinc/67/02/24/1183670224.db2.gz YODBNRGHBWEXLX-XJKSGUPXSA-N 2 0 340.899 2.258 10 0 EEAERP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001268761445 1183681931 /nfs/dbraw/zinc/68/19/31/1183681931.db2.gz BLPGLSDRIZZYOS-CVEARBPZSA-N 2 0 325.472 2.239 10 0 EEAERP CO[C@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001268792673 1183706802 /nfs/dbraw/zinc/70/68/02/1183706802.db2.gz AQZBKUQSQPVDQV-BHIYHBOVSA-N 2 0 347.503 2.152 10 0 EEAERP CC/C=C/CCN1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001482207249 1183996806 /nfs/dbraw/zinc/99/68/06/1183996806.db2.gz ORFKEUNWOGPCJT-WHLIDYPQSA-N 2 0 337.508 2.036 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001269142915 1183999560 /nfs/dbraw/zinc/99/95/60/1183999560.db2.gz PABFPYACHLGAID-JHJVBQTASA-N 2 0 336.307 2.101 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269333906 1184181891 /nfs/dbraw/zinc/18/18/91/1184181891.db2.gz ZDNKGVAWGHCWSX-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOc1ccccc1C ZINC001269408508 1184241661 /nfs/dbraw/zinc/24/16/61/1184241661.db2.gz QYQKZSUFXIHKCU-FGTMMUONSA-N 2 0 347.503 2.198 10 0 EEAERP COCC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001269585229 1184411048 /nfs/dbraw/zinc/41/10/48/1184411048.db2.gz SRKHYFXISCCWCW-UHFFFAOYSA-N 2 0 333.476 2.027 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001269639466 1184463440 /nfs/dbraw/zinc/46/34/40/1184463440.db2.gz WDUHUZPWCFYFAX-RDTXWAMCSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@](C[NH2+]CC=C(Cl)Cl)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269645948 1184473076 /nfs/dbraw/zinc/47/30/76/1184473076.db2.gz SARSGVMMPZDIGA-OAHLLOKOSA-N 2 0 346.302 2.276 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001270316123 1185011986 /nfs/dbraw/zinc/01/19/86/1185011986.db2.gz RHIGWKHTSMVAOM-GOSISDBHSA-N 2 0 347.503 2.295 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)cc1Cl ZINC001482324033 1185364045 /nfs/dbraw/zinc/36/40/45/1185364045.db2.gz BJSAWYSJKGIVLG-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP C[N@H+](CCC(=O)N1CC[C@](C)(C[NH2+]CCF)C1)C1CCCCC1 ZINC001270760050 1185374303 /nfs/dbraw/zinc/37/43/03/1185374303.db2.gz FQHZHFSSHISXTO-GOSISDBHSA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001482370216 1185535532 /nfs/dbraw/zinc/53/55/32/1185535532.db2.gz SYPXAFQZAJXFTD-GOEBONIOSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001482459213 1185913273 /nfs/dbraw/zinc/91/32/73/1185913273.db2.gz VOUBIFPOBFLUOC-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001271898721 1186592675 /nfs/dbraw/zinc/59/26/75/1186592675.db2.gz UJIOHBYEKNZIAB-FGTMMUONSA-N 2 0 339.499 2.391 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)C[NH+](C)CC(C)(C)C ZINC001482628336 1187453284 /nfs/dbraw/zinc/45/32/84/1187453284.db2.gz NUIABSVWIJKYAK-QGZVFWFLSA-N 2 0 341.540 2.314 10 0 EEAERP Cc1cnc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)o1 ZINC001482663858 1187509591 /nfs/dbraw/zinc/50/95/91/1187509591.db2.gz CJOSSBIAJCNCHH-DLBZAZTESA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCCCF)CC1 ZINC001482685112 1187650484 /nfs/dbraw/zinc/65/04/84/1187650484.db2.gz DYAOQGOUQNUQDC-SJORKVTESA-N 2 0 327.488 2.343 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC001482875631 1187795725 /nfs/dbraw/zinc/79/57/25/1187795725.db2.gz WTVOJFPSUMGAOZ-ZIAGYGMSSA-N 2 0 338.521 2.032 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001482884717 1187800835 /nfs/dbraw/zinc/80/08/35/1187800835.db2.gz KQNODYSPHGCUDC-KRWDZBQOSA-N 2 0 347.503 2.412 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001482885807 1187801168 /nfs/dbraw/zinc/80/11/68/1187801168.db2.gz QBQPRVRPCSBBHG-QGZVFWFLSA-N 2 0 349.523 2.180 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1C ZINC001482887410 1187804075 /nfs/dbraw/zinc/80/40/75/1187804075.db2.gz BJAZKYDKPNHCTH-DOTOQJQBSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482889742 1187816124 /nfs/dbraw/zinc/81/61/24/1187816124.db2.gz RYDTWPHRUZLVJJ-WFASDCNBSA-N 2 0 326.510 2.022 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cnccc1C ZINC001482926457 1187846262 /nfs/dbraw/zinc/84/62/62/1187846262.db2.gz BBHHOQXBVLKTAG-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCN(CC[NH2+]C[C@@H](OC)c1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001482948282 1187887194 /nfs/dbraw/zinc/88/71/94/1187887194.db2.gz QUJBUCQFAKJVNU-LJQANCHMSA-N 2 0 347.503 2.154 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482963285 1187898725 /nfs/dbraw/zinc/89/87/25/1187898725.db2.gz SNYVLSSVCREWGA-KRWDZBQOSA-N 2 0 342.487 2.448 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001483008178 1187990157 /nfs/dbraw/zinc/99/01/57/1187990157.db2.gz HNCGYBSYKBUXQD-BEMTYULDSA-N 2 0 327.472 2.302 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001483053050 1188296438 /nfs/dbraw/zinc/29/64/38/1188296438.db2.gz BLEHJQCLZGESIO-IHVVCDCBSA-N 2 0 325.403 2.240 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)C[NH+]1CCCC1 ZINC001691602818 1188303018 /nfs/dbraw/zinc/30/30/18/1188303018.db2.gz HJBGHYUNYNBFPH-UHFFFAOYSA-N 2 0 327.831 2.123 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cn1 ZINC001483069413 1188415900 /nfs/dbraw/zinc/41/59/00/1188415900.db2.gz MPTOBCSKOOZLST-WRFKIARRSA-N 2 0 348.466 2.246 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC001483094078 1188462360 /nfs/dbraw/zinc/46/23/60/1188462360.db2.gz XODJKPUZMNYPRA-YAAATUCXSA-N 2 0 341.499 2.450 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483129033 1188610154 /nfs/dbraw/zinc/61/01/54/1188610154.db2.gz OWMCGFXYOJDWCP-CXAGYDPISA-N 2 0 335.879 2.276 10 0 EEAERP Cc1ncccc1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001409305640 1188628464 /nfs/dbraw/zinc/62/84/64/1188628464.db2.gz ZDXSLLANNOGNPT-UHFFFAOYSA-N 2 0 344.503 2.250 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)sc1C ZINC001483138081 1188689028 /nfs/dbraw/zinc/68/90/28/1188689028.db2.gz VHKFIWSJLPAUTE-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483215253 1189206380 /nfs/dbraw/zinc/20/63/80/1189206380.db2.gz UTXMMHXNIXKJBZ-BLLLJJGKSA-N 2 0 341.858 2.210 10 0 EEAERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001485915765 1193638748 /nfs/dbraw/zinc/63/87/48/1193638748.db2.gz DEVOAQWLSWGXBM-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP COc1cc(Cl)ccc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485919169 1193639769 /nfs/dbraw/zinc/63/97/69/1193639769.db2.gz LJYSCBDPPBEHRY-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)cn1 ZINC001485929788 1193649331 /nfs/dbraw/zinc/64/93/31/1193649331.db2.gz DUCCWWXEHBXIHS-HOTGVXAUSA-N 2 0 347.507 2.014 10 0 EEAERP Cc1cccc(CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001409532113 1189992668 /nfs/dbraw/zinc/99/26/68/1189992668.db2.gz WXLASJCAAQJIHQ-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2cnccc2C)C1 ZINC001409620497 1190111258 /nfs/dbraw/zinc/11/12/58/1190111258.db2.gz WVYZWTVEGJFDOY-ZWKOTPCHSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H](C[N@H+](C)C[C@@H](O)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483371673 1190414519 /nfs/dbraw/zinc/41/45/19/1190414519.db2.gz ZJDJJEPIPHRVHR-SJLPKXTDSA-N 2 0 347.503 2.031 10 0 EEAERP C[C@H](C[N@H+](C)CCCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406990 1190453342 /nfs/dbraw/zinc/45/33/42/1190453342.db2.gz KTJFNFVEFVTQRU-QGZVFWFLSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)co1 ZINC001483474608 1190496623 /nfs/dbraw/zinc/49/66/23/1190496623.db2.gz KKGKOLZBOMYXNY-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)o1 ZINC001483495476 1190511887 /nfs/dbraw/zinc/51/18/87/1190511887.db2.gz AXFICNGFOAYBAO-HNNXBMFYSA-N 2 0 336.480 2.214 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C2CC2)sn1 ZINC001483571828 1190559780 /nfs/dbraw/zinc/55/97/80/1190559780.db2.gz IASUJARTDGKIBZ-MRXNPFEDSA-N 2 0 348.516 2.064 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccc(F)c(F)c1 ZINC001483586178 1190571419 /nfs/dbraw/zinc/57/14/19/1190571419.db2.gz OEVDTMQKLBPYKC-SJKOYZFVSA-N 2 0 339.430 2.462 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cc(C)ns1 ZINC001483621648 1190605392 /nfs/dbraw/zinc/60/53/92/1190605392.db2.gz QKWCQFSCXQFINQ-ZBFHGGJFSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001486139105 1193692891 /nfs/dbraw/zinc/69/28/91/1193692891.db2.gz ZBQDNWZVUZLTAX-HKUYNNGSSA-N 2 0 344.503 2.427 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272615500 1190931163 /nfs/dbraw/zinc/93/11/63/1190931163.db2.gz CPVCRZRUYQWKTC-JKSUJKDBSA-N 2 0 335.517 2.418 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CCNCC(F)(F)C(F)F)C1)[NH+](C)C ZINC001272616122 1190931441 /nfs/dbraw/zinc/93/14/41/1190931441.db2.gz JWKAGFXEIBXKAS-VXGBXAGGSA-N 2 0 341.393 2.055 10 0 EEAERP CCOCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001483801114 1191042951 /nfs/dbraw/zinc/04/29/51/1191042951.db2.gz GLNMAEACHBWWNE-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001483802854 1191044598 /nfs/dbraw/zinc/04/45/98/1191044598.db2.gz VWOCSOBSVPSKAW-NJEVBOHQSA-N 2 0 327.900 2.394 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCF)CC3CC3)CC2)CC[N@@H+]1C ZINC001483815896 1191060647 /nfs/dbraw/zinc/06/06/47/1191060647.db2.gz HNMSFGCTLJBXHI-ZWKOTPCHSA-N 2 0 339.499 2.389 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001483836502 1191087086 /nfs/dbraw/zinc/08/70/86/1191087086.db2.gz BFABDBHLSZJCAL-UHFFFAOYSA-N 2 0 343.462 2.298 10 0 EEAERP COCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484112976 1191213623 /nfs/dbraw/zinc/21/36/23/1191213623.db2.gz BYIOUWTXWZPCIX-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484195842 1191268001 /nfs/dbraw/zinc/26/80/01/1191268001.db2.gz LKHIYRGKCKVDRA-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001484378467 1191321346 /nfs/dbraw/zinc/32/13/46/1191321346.db2.gz YAOHMUGXZLJUQI-JWUWVAEESA-N 2 0 329.488 2.336 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC001484463339 1191367441 /nfs/dbraw/zinc/36/74/41/1191367441.db2.gz IVANKHPQSXUEFQ-OALUTQOASA-N 2 0 329.488 2.246 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001484549540 1191409545 /nfs/dbraw/zinc/40/95/45/1191409545.db2.gz KATRYZQUBBQKKC-HZPDHXFCSA-N 2 0 343.462 2.346 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cncs2)C1)[NH+](C)C ZINC001484550511 1191409757 /nfs/dbraw/zinc/40/97/57/1191409757.db2.gz UGHLFNZZPKZZDO-GDBMZVCRSA-N 2 0 338.521 2.058 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551697 1191410573 /nfs/dbraw/zinc/41/05/73/1191410573.db2.gz OFPMLQMAOWQGCS-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001484568066 1191421159 /nfs/dbraw/zinc/42/11/59/1191421159.db2.gz COSWVTGKUJZIDB-BUSFZLKNSA-N 2 0 327.900 2.488 10 0 EEAERP C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)n1 ZINC001484634593 1191446181 /nfs/dbraw/zinc/44/61/81/1191446181.db2.gz POQCRMJHARVCIW-UHFFFAOYSA-N 2 0 349.523 2.123 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001484890941 1191563561 /nfs/dbraw/zinc/56/35/61/1191563561.db2.gz BFKKKJANUCDDRF-KBPBESRZSA-N 2 0 347.425 2.251 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cccnc2C)CC1 ZINC001484926798 1191573382 /nfs/dbraw/zinc/57/33/82/1191573382.db2.gz XKMBXIVVGKOHMX-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]C[C@H](C)OC)CC2)C1 ZINC001484921702 1191576118 /nfs/dbraw/zinc/57/61/18/1191576118.db2.gz CVEPTTNGSNAEOP-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001485187252 1191684837 /nfs/dbraw/zinc/68/48/37/1191684837.db2.gz CFOKQNRUHBNRDH-HUUCEWRRSA-N 2 0 344.459 2.276 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001485443561 1191786950 /nfs/dbraw/zinc/78/69/50/1191786950.db2.gz LJYRTKHKKWMMMK-IAGOWNOFSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1oncc1C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001485455780 1191792105 /nfs/dbraw/zinc/79/21/05/1191792105.db2.gz VSTLWSAJESUSIR-OAHLLOKOSA-N 2 0 348.491 2.234 10 0 EEAERP CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001486445802 1193960249 /nfs/dbraw/zinc/96/02/49/1193960249.db2.gz MNSDMQBNSDEBSH-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(CCC[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001486475818 1193989267 /nfs/dbraw/zinc/98/92/67/1193989267.db2.gz YDOKMAHGXTZTFS-UHFFFAOYSA-N 2 0 331.504 2.458 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001272960623 1194269490 /nfs/dbraw/zinc/26/94/90/1194269490.db2.gz CZFJUXDWBWCRHB-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019039 1194326189 /nfs/dbraw/zinc/32/61/89/1194326189.db2.gz RGLNQFLTQGFJRV-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001273123542 1194407076 /nfs/dbraw/zinc/40/70/76/1194407076.db2.gz WBLVDMAXYOIBFH-KGLIPLIRSA-N 2 0 338.496 2.297 10 0 EEAERP C[C@@]12CN(C(=O)[C@H]([NH3+])C3CCC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702098505 1195727137 /nfs/dbraw/zinc/72/71/37/1195727137.db2.gz ZOIICFAFLDHHGW-NLWGTHIKSA-N 2 0 327.472 2.094 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)ns2)C1 ZINC001409977052 1196104009 /nfs/dbraw/zinc/10/40/09/1196104009.db2.gz ZPNVVWWLNOBZSA-CQSZACIVSA-N 2 0 338.521 2.120 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001273308775 1198013407 /nfs/dbraw/zinc/01/34/07/1198013407.db2.gz PQVLKYLVYTXGKR-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872148040 1198056607 /nfs/dbraw/zinc/05/66/07/1198056607.db2.gz HGOJSYGCHCUPRI-BXUZGUMPSA-N 2 0 345.365 2.093 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1F ZINC001410506033 1198063215 /nfs/dbraw/zinc/06/32/15/1198063215.db2.gz YBBBJSLAVFWKRD-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=S)Nc2ccccc2F)C[C@H]1C[NH+](C)C ZINC000865244897 1198138156 /nfs/dbraw/zinc/13/81/56/1198138156.db2.gz FFXLFVIVYMQDIN-ZIAGYGMSSA-N 2 0 338.496 2.194 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ccnc(-c3ccccc3)n2)C[C@H]1C[NH+](C)C ZINC000866012700 1198454161 /nfs/dbraw/zinc/45/41/61/1198454161.db2.gz OAQWXPNQBIBPKD-QZTJIDSGSA-N 2 0 339.487 2.319 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001410856405 1198507568 /nfs/dbraw/zinc/50/75/68/1198507568.db2.gz NXTYHDRQWJAYSW-CABCVRRESA-N 2 0 336.480 2.137 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)nsc2C)C[C@@H]1C ZINC001410857149 1198508634 /nfs/dbraw/zinc/50/86/34/1198508634.db2.gz DEAKEQHNVGDUBY-SWLSCSKDSA-N 2 0 338.521 2.181 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@@]2(NC(=O)CCCn3ccnc3)CCC[C@@H]12)OC ZINC001410893365 1198548169 /nfs/dbraw/zinc/54/81/69/1198548169.db2.gz FFQRVKHUIWPPIG-LMMKCTJWSA-N 2 0 348.491 2.202 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1ccccn1)CC2 ZINC001410904081 1198561871 /nfs/dbraw/zinc/56/18/71/1198561871.db2.gz KZEMIGLQLACJDH-PKOBYXMFSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C)c1 ZINC001411224682 1198935508 /nfs/dbraw/zinc/93/55/08/1198935508.db2.gz PKTVRTXGCDWYRX-MAUKXSAKSA-N 2 0 346.519 2.352 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)C(C)(F)F)C[C@H]1C[NH+](C)C ZINC000876176905 1199530270 /nfs/dbraw/zinc/53/02/70/1199530270.db2.gz XJWQZSSUCDTXQX-ZIAGYGMSSA-N 2 0 348.482 2.049 10 0 EEAERP Cc1ccc(C[C@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870021778 1200411838 /nfs/dbraw/zinc/41/18/38/1200411838.db2.gz KNDKLAPSAXCWNE-DFQSSKMNSA-N 2 0 345.531 2.371 10 0 EEAERP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000870853164 1200912409 /nfs/dbraw/zinc/91/24/09/1200912409.db2.gz UCZKGFONEKCQTJ-HUUCEWRRSA-N 2 0 348.516 2.214 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000870876036 1200925683 /nfs/dbraw/zinc/92/56/83/1200925683.db2.gz ULFVYCWUQLRMQU-FRQCXROJSA-N 2 0 345.512 2.344 10 0 EEAERP CC(C)[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000882391787 1201864901 /nfs/dbraw/zinc/86/49/01/1201864901.db2.gz GAPQSOVJDWYKKW-MOPGFXCFSA-N 2 0 344.503 2.496 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC001274033953 1204338579 /nfs/dbraw/zinc/33/85/79/1204338579.db2.gz ABFBOMJOPGQKNG-JTDRTSHGSA-N 2 0 333.451 2.318 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274610770 1205096849 /nfs/dbraw/zinc/09/68/49/1205096849.db2.gz QOZPQVGKKBKVNP-HMECNJMJSA-N 2 0 344.503 2.272 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001411694306 1205489104 /nfs/dbraw/zinc/48/91/04/1205489104.db2.gz VQMNYUIFMZVHFU-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275768712 1205519142 /nfs/dbraw/zinc/51/91/42/1205519142.db2.gz PXZDELWZYNLJOD-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001412479029 1205734938 /nfs/dbraw/zinc/73/49/38/1205734938.db2.gz BVFVDNPXNMQXOP-KRWDZBQOSA-N 2 0 339.430 2.150 10 0 EEAERP CN(CCC[NH2+]Cc1ccnn1C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001276093849 1205778856 /nfs/dbraw/zinc/77/88/56/1205778856.db2.gz YZAMKPDHWKEDKN-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C(C)(C)CO ZINC000924643760 1206009211 /nfs/dbraw/zinc/00/92/11/1206009211.db2.gz PHQLDLPMJCOGFE-MJGOQNOKSA-N 2 0 333.520 2.362 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@H](C)C1 ZINC000924662273 1206013861 /nfs/dbraw/zinc/01/38/61/1206013861.db2.gz TVAVCWXHLYEMET-RHSMWYFYSA-N 2 0 333.480 2.019 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924808218 1206034927 /nfs/dbraw/zinc/03/49/27/1206034927.db2.gz QDMGSRLLDSFFKA-RTBURBONSA-N 2 0 344.503 2.128 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925597376 1206134089 /nfs/dbraw/zinc/13/40/89/1206134089.db2.gz YSUXVOGPGSWNCY-WOJBJXKFSA-N 2 0 342.531 2.448 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925659076 1206141074 /nfs/dbraw/zinc/14/10/74/1206141074.db2.gz AQVCYDXNCWHOET-BFHYXJOUSA-N 2 0 325.250 2.342 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708483 1206145361 /nfs/dbraw/zinc/14/53/61/1206145361.db2.gz SQSAANHUVQSMIG-HOJAQTOUSA-N 2 0 343.515 2.492 10 0 EEAERP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850690 1206160576 /nfs/dbraw/zinc/16/05/76/1206160576.db2.gz PEWRUDNIVXVCPX-RHSMWYFYSA-N 2 0 344.455 2.348 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1N(C)C ZINC000925856922 1206161781 /nfs/dbraw/zinc/16/17/81/1206161781.db2.gz OFQSXIPOCKXORR-HUUCEWRRSA-N 2 0 331.460 2.089 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000928833029 1206425731 /nfs/dbraw/zinc/42/57/31/1206425731.db2.gz XGHATWIEKRWHRN-MSOLQXFVSA-N 2 0 330.476 2.208 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)C1(O)CCCC1 ZINC000930170222 1206539016 /nfs/dbraw/zinc/53/90/16/1206539016.db2.gz WJMAXVBSJFFGJK-IBGZPJMESA-N 2 0 347.503 2.286 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000075639590 1208784401 /nfs/dbraw/zinc/78/44/01/1208784401.db2.gz USBZAALELMXTRV-HXUWFJFHSA-N 2 0 332.488 2.381 10 0 EEAERP C/C(=C/C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)CN1CCOCC1 ZINC000900428452 1234346563 /nfs/dbraw/zinc/34/65/63/1234346563.db2.gz GSYBWYHJSOGRHB-UINMVVPXSA-N 2 0 349.519 2.129 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000903433078 1240459615 /nfs/dbraw/zinc/45/96/15/1240459615.db2.gz TUQKEUPZRFJKRD-IPYPFGDCSA-N 2 0 346.393 2.232 10 0 EEAERP COC(=O)c1cnc(CC2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)s1 ZINC000903482366 1240612018 /nfs/dbraw/zinc/61/20/18/1240612018.db2.gz FGCHCOXOZKFATB-KGLIPLIRSA-N 2 0 337.489 2.312 10 0 EEAERP Fc1ccc(F)c2c1O[C@@H]1C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]1O2 ZINC000903930166 1242542484 /nfs/dbraw/zinc/54/24/84/1242542484.db2.gz UDPNXWMFWOWDRR-UGTXJPTRSA-N 2 0 336.382 2.319 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001490959692 1258510813 /nfs/dbraw/zinc/51/08/13/1258510813.db2.gz CBNCRKYDFOCRIJ-BRSBDYLESA-N 2 0 337.508 2.057 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](CCC4CC4)CC[C@@H]32)CC1 ZINC001490983697 1258538535 /nfs/dbraw/zinc/53/85/35/1258538535.db2.gz OXZNARVQTYUBAD-MSOLQXFVSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001491002316 1258558334 /nfs/dbraw/zinc/55/83/34/1258558334.db2.gz FXPJOPVVPOAVRT-SCTDSRPQSA-N 2 0 345.487 2.013 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491191227 1258756436 /nfs/dbraw/zinc/75/64/36/1258756436.db2.gz QTDVLZYAKVFPAG-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)o1 ZINC001491273531 1258877849 /nfs/dbraw/zinc/87/78/49/1258877849.db2.gz LCEIXNVKFJNXMP-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001491505675 1259156023 /nfs/dbraw/zinc/15/60/23/1259156023.db2.gz OSLUTGYWJAVOTO-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+][C@@H](C)c1cnccn1 ZINC001491507112 1259157532 /nfs/dbraw/zinc/15/75/32/1259157532.db2.gz SBMVFJHWKNZKLP-CABCVRRESA-N 2 0 347.507 2.285 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001280631539 1278523104 /nfs/dbraw/zinc/52/31/04/1278523104.db2.gz YWFPXKQNKLNUSM-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001267885427 1276741459 /nfs/dbraw/zinc/74/14/59/1276741459.db2.gz ROIDLKADNKBCKO-YOEHRIQHSA-N 2 0 333.480 2.028 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001267894202 1276793502 /nfs/dbraw/zinc/79/35/02/1276793502.db2.gz UVROWFUGBONKLM-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]C[C@H](C)OC)CC1 ZINC001267909475 1276902811 /nfs/dbraw/zinc/90/28/11/1276902811.db2.gz QDSZBFVKDQLWTG-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1 ZINC001268402201 1276928187 /nfs/dbraw/zinc/92/81/87/1276928187.db2.gz GFNBBQSXJDQYSM-GOEBONIOSA-N 2 0 338.521 2.390 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC001488771402 1290184476 /nfs/dbraw/zinc/18/44/76/1290184476.db2.gz QBJNMGJKCZCYJP-TXEJJXNPSA-N 2 0 329.897 2.338 10 0 EEAERP O=C(NC[C@H]([NH2+]Cc1ccns1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001490680450 1291562926 /nfs/dbraw/zinc/56/29/26/1291562926.db2.gz XGELGTSPAOFJOR-INIZCTEOSA-N 2 0 348.516 2.004 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@]1(F)CC[NH2+]C1 ZINC000852864634 1292218874 /nfs/dbraw/zinc/21/88/74/1292218874.db2.gz CFQZODUAGDDRQC-XLIONFOSSA-N 2 0 345.462 2.107 10 0 EEAERP CC1CC[NH+](CCc2cccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)c2)CC1 ZINC000852888359 1292226892 /nfs/dbraw/zinc/22/68/92/1292226892.db2.gz WMPWZGPXJHLRIO-QGZVFWFLSA-N 2 0 344.459 2.003 10 0 EEAERP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855163383 1293096500 /nfs/dbraw/zinc/09/65/00/1293096500.db2.gz XDUZPXMKVYCJGC-KDOFPFPSSA-N 2 0 327.488 2.436 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCCOC3)C2)ccn1 ZINC000856553876 1293563660 /nfs/dbraw/zinc/56/36/60/1293563660.db2.gz YGYIKOJXQGBSPL-VQIMIIECSA-N 2 0 333.476 2.413 10 0 EEAERP C=Cn1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cn1 ZINC000856551190 1293564803 /nfs/dbraw/zinc/56/48/03/1293564803.db2.gz MNLBODGLIJDQDD-IBGZPJMESA-N 2 0 341.459 2.484 10 0 EEAERP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000862367481 1295811069 /nfs/dbraw/zinc/81/10/69/1295811069.db2.gz KEWXDLDUOYDUHD-ZDUSSCGKSA-N 2 0 341.297 2.346 10 0 EEAERP C[C@H](c1ccccc1F)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550033 1296328644 /nfs/dbraw/zinc/32/86/44/1296328644.db2.gz MIVVADIBNZVHNR-JLZZUVOBSA-N 2 0 333.407 2.144 10 0 EEAERP C[C@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccc(F)cc1 ZINC000863643313 1296360792 /nfs/dbraw/zinc/36/07/92/1296360792.db2.gz KNTGVUWEYASRHL-XWIAVFTESA-N 2 0 347.434 2.186 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001491126490 1299616776 /nfs/dbraw/zinc/61/67/76/1299616776.db2.gz ZIOZFBXHLAUSKO-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355592 1302609216 /nfs/dbraw/zinc/60/92/16/1302609216.db2.gz KLZGAZOCKPJCNF-CABCVRRESA-N 2 0 344.459 2.154 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362939 1302658766 /nfs/dbraw/zinc/65/87/66/1302658766.db2.gz OPWSXIJEJBBHDE-MAUKXSAKSA-N 2 0 347.507 2.034 10 0 EEAERP COCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278410148 1310125842 /nfs/dbraw/zinc/12/58/42/1310125842.db2.gz KGYAPXIZGSJZHR-LJQANCHMSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)CCCC[NH+](C)C)CCC[C@@H]23)on1 ZINC001278467209 1310440801 /nfs/dbraw/zinc/44/08/01/1310440801.db2.gz OXCYVTBUVAAXNJ-IEBWSBKVSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404658 1315592147 /nfs/dbraw/zinc/59/21/47/1315592147.db2.gz KDRRPJZFWXZEQY-SJLPKXTDSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(CC[NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000841850079 1315622981 /nfs/dbraw/zinc/62/29/81/1315622981.db2.gz WSIVHMNDNGXXCT-MRXNPFEDSA-N 2 0 346.862 2.421 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)C[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000843492064 1315922720 /nfs/dbraw/zinc/92/27/20/1315922720.db2.gz LQBALMRJOJESSH-QMIHWGKISA-N 2 0 343.471 2.089 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264678201 1322780126 /nfs/dbraw/zinc/78/01/26/1322780126.db2.gz QKGIFCWLAQQEPF-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001264986419 1322834977 /nfs/dbraw/zinc/83/49/77/1322834977.db2.gz KPOBPDRVMNCEGA-LJQANCHMSA-N 2 0 329.488 2.275 10 0 EEAERP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001265095366 1322918378 /nfs/dbraw/zinc/91/83/78/1322918378.db2.gz UVHQWKQXPVPMOZ-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265297614 1323047357 /nfs/dbraw/zinc/04/73/57/1323047357.db2.gz UOVDCYVRAZAAHV-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265486348 1323178422 /nfs/dbraw/zinc/17/84/22/1323178422.db2.gz HRJPYVUKNFPKPA-WKILWMFISA-N 2 0 344.459 2.310 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001265794329 1323384088 /nfs/dbraw/zinc/38/40/88/1323384088.db2.gz LUXUYSIGDBBNMR-KRWDZBQOSA-N 2 0 345.487 2.097 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CC(F)(F)C1 ZINC001265871952 1323444665 /nfs/dbraw/zinc/44/46/65/1323444665.db2.gz JRLUIUMPPBZMSU-JKSUJKDBSA-N 2 0 343.462 2.487 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001265909755 1323478468 /nfs/dbraw/zinc/47/84/68/1323478468.db2.gz DQWVESHUUYCCCC-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(CC[NH+](C)CCCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001265923683 1323490062 /nfs/dbraw/zinc/49/00/62/1323490062.db2.gz VBLJJJMZCFXSBU-SFHVURJKSA-N 2 0 331.504 2.317 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)[C@@]23CC[NH+](C2)CCC3)cc1 ZINC001265961669 1323523446 /nfs/dbraw/zinc/52/34/46/1323523446.db2.gz AMXXEBZLCJGEBX-FQEVSTJZSA-N 2 0 345.487 2.119 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001266029190 1323580311 /nfs/dbraw/zinc/58/03/11/1323580311.db2.gz MDUBGTSWVJVYQI-BQHGXPCASA-N 2 0 339.483 2.234 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001266075427 1323631177 /nfs/dbraw/zinc/63/11/77/1323631177.db2.gz NIMLMWUKUCVZEH-DLBZAZTESA-N 2 0 332.492 2.331 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)nc1 ZINC001266076457 1323633423 /nfs/dbraw/zinc/63/34/23/1323633423.db2.gz ZZAXMQSQMSFCOH-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CC[NH2+]C/C=C/Cl)cc1 ZINC001266081190 1323638996 /nfs/dbraw/zinc/63/89/96/1323638996.db2.gz FYJHLDCOICYDRM-QYSIDVQXSA-N 2 0 335.879 2.282 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cc(C)no1 ZINC001266111766 1323678784 /nfs/dbraw/zinc/67/87/84/1323678784.db2.gz AAMVGNGUWCKOPA-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1)[NH+](C)C ZINC001279409587 1323900034 /nfs/dbraw/zinc/90/00/34/1323900034.db2.gz DVBLUXNOVSKTCN-IXDOHACOSA-N 2 0 327.488 2.103 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001280043615 1324066909 /nfs/dbraw/zinc/06/69/09/1324066909.db2.gz ZTVUOJWTJHDYPW-IRXDYDNUSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001280295729 1324146867 /nfs/dbraw/zinc/14/68/67/1324146867.db2.gz KQZQQSOGOLHJNJ-HXUWFJFHSA-N 2 0 343.515 2.462 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001280297147 1324148288 /nfs/dbraw/zinc/14/82/88/1324148288.db2.gz RCMKJGQRCABYCP-QGZVFWFLSA-N 2 0 345.487 2.119 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCCCF)CC2 ZINC001280394360 1324197633 /nfs/dbraw/zinc/19/76/33/1324197633.db2.gz KCAWRIIXSJBMGZ-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2cscn2)CC1 ZINC001280770617 1324497902 /nfs/dbraw/zinc/49/79/02/1324497902.db2.gz UDXGCPGGVJGMEV-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP COCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001281300463 1324945536 /nfs/dbraw/zinc/94/55/36/1324945536.db2.gz VPWHDAVEJWNXQB-LJQANCHMSA-N 2 0 347.503 2.241 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cncs1 ZINC001281686192 1325400913 /nfs/dbraw/zinc/40/09/13/1325400913.db2.gz NZEUHNRSWIRIAQ-HUUCEWRRSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001281890371 1325500480 /nfs/dbraw/zinc/50/04/80/1325500480.db2.gz NMZUKRBFYCGPEP-SJORKVTESA-N 2 0 348.491 2.048 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001282288045 1325678219 /nfs/dbraw/zinc/67/82/19/1325678219.db2.gz BINBIVBSEIJJBV-SFHVURJKSA-N 2 0 347.503 2.234 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283177471 1325945389 /nfs/dbraw/zinc/94/53/89/1325945389.db2.gz LHHLABQFOFBYGO-YXJHDRRASA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284003766 1326358436 /nfs/dbraw/zinc/35/84/36/1326358436.db2.gz LXTKLMVAYSCVFJ-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001284686765 1326666986 /nfs/dbraw/zinc/66/69/86/1326666986.db2.gz WNGXZSZETUUNSW-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001284795560 1326718963 /nfs/dbraw/zinc/71/89/63/1326718963.db2.gz YNNAKHBUAFLPHJ-DAWZGUTISA-N 2 0 339.524 2.253 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491685850 1330205721 /nfs/dbraw/zinc/20/57/21/1330205721.db2.gz ZHIIGSWQAIUMID-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP CCOCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491878115 1330285505 /nfs/dbraw/zinc/28/55/05/1330285505.db2.gz RQVDRXHUYDZVFB-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCO)C1)C1CCCCC1 ZINC001491881419 1330287225 /nfs/dbraw/zinc/28/72/25/1330287225.db2.gz GFMUJOBMCHTEFG-SJORKVTESA-N 2 0 339.524 2.040 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]C/C(Cl)=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891008 1330291559 /nfs/dbraw/zinc/29/15/59/1330291559.db2.gz HNZDSADDWQTGTN-DBLGQFABSA-N 2 0 346.302 2.418 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001492044274 1330417944 /nfs/dbraw/zinc/41/79/44/1330417944.db2.gz SYPZMEOPQIIXLS-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1conc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001492157643 1331020957 /nfs/dbraw/zinc/02/09/57/1331020957.db2.gz LIIDTPDXRAXQNK-MRXNPFEDSA-N 2 0 348.491 2.328 10 0 EEAERP COc1ccc(C)cc1CN(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001492386034 1331204092 /nfs/dbraw/zinc/20/40/92/1331204092.db2.gz KBYMRCJLEULILF-IRXDYDNUSA-N 2 0 347.503 2.282 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CC(F)(F)C1 ZINC001316854274 1331471002 /nfs/dbraw/zinc/47/10/02/1331471002.db2.gz OAEDMAGVAOBWAA-HOTGVXAUSA-N 2 0 343.462 2.487 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1ccccn1)C1CC1 ZINC001316919741 1331985771 /nfs/dbraw/zinc/98/57/71/1331985771.db2.gz CSYOOJKVWQELLX-SFHVURJKSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001317145703 1332098781 /nfs/dbraw/zinc/09/87/81/1332098781.db2.gz CTSWXXBIBZPJOX-WOJBJXKFSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001317164636 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347.503 2.321 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1F ZINC001319269361 1332673152 /nfs/dbraw/zinc/67/31/52/1332673152.db2.gz HOKIMYCGBIVVIM-CVEARBPZSA-N 2 0 335.467 2.052 10 0 EEAERP CCOCCC[N@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001320015706 1332810860 /nfs/dbraw/zinc/81/08/60/1332810860.db2.gz BIWCTFHPBGIYKY-UHFFFAOYSA-N 2 0 332.448 2.073 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001320444669 1332885092 /nfs/dbraw/zinc/88/50/92/1332885092.db2.gz BYPHDOUYBLSWFN-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1C ZINC001320464922 1332890581 /nfs/dbraw/zinc/89/05/81/1332890581.db2.gz VTZUNRKCQWMKBY-CRAIPNDOSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001320501152 1332898265 /nfs/dbraw/zinc/89/82/65/1332898265.db2.gz QRIBDNHMKIXKGH-OAHLLOKOSA-N 2 0 336.480 2.171 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)nc1 ZINC001320564268 1332911651 /nfs/dbraw/zinc/91/16/51/1332911651.db2.gz QZSDJERVQDSBRM-SJORKVTESA-N 2 0 347.507 2.032 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001320609074 1332920294 /nfs/dbraw/zinc/92/02/94/1332920294.db2.gz QXKGCKGYYBHTLS-KSSFIOAISA-N 2 0 333.476 2.041 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)s1 ZINC001320644297 1332927730 /nfs/dbraw/zinc/92/77/30/1332927730.db2.gz KIFLSHSRPOQTIW-GFCCVEGCSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211905 1333046000 /nfs/dbraw/zinc/04/60/00/1333046000.db2.gz UFXYXGNTFJZULU-MBVDDHJVSA-N 2 0 333.451 2.491 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001321336785 1333077772 /nfs/dbraw/zinc/07/77/72/1333077772.db2.gz MZNVURZJYWMFDA-VGOKWCNXSA-N 2 0 344.503 2.309 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321418717 1333099885 /nfs/dbraw/zinc/09/98/85/1333099885.db2.gz HXBWDHDHFYHMRT-QWPQOLDESA-N 2 0 348.491 2.182 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCc3ccccc3)CC2)CC1 ZINC001323530611 1333483330 /nfs/dbraw/zinc/48/33/30/1333483330.db2.gz NOBAUUSAVYXMCG-UHFFFAOYSA-N 2 0 329.488 2.199 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001324867780 1333777181 /nfs/dbraw/zinc/77/71/81/1333777181.db2.gz DSYBEEDGEXASGP-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001325457484 1333890008 /nfs/dbraw/zinc/89/00/08/1333890008.db2.gz SFIGTFRFPMCYHB-SJLPKXTDSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001325599226 1333921247 /nfs/dbraw/zinc/92/12/47/1333921247.db2.gz RAACTTXOUOTKQV-KMZHTNPJSA-N 2 0 327.900 2.299 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001326411159 1334087405 /nfs/dbraw/zinc/08/74/05/1334087405.db2.gz IVKATDFAHAXPSP-GOSISDBHSA-N 2 0 333.520 2.347 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327158381 1334236832 /nfs/dbraw/zinc/23/68/32/1334236832.db2.gz ZTOZDBHBHZYZSS-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329591884 1334680640 /nfs/dbraw/zinc/68/06/40/1334680640.db2.gz HRQUFBFJOYJPPT-STQMWFEESA-N 2 0 348.318 2.103 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCc3ccccc3)C2)CC[N@@H+]1C ZINC001330600074 1334875685 /nfs/dbraw/zinc/87/56/85/1334875685.db2.gz XPDFRPJKWYQUML-VBSBHUPXSA-N 2 0 343.515 2.444 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)[C@H]1C ZINC001331930470 1335680018 /nfs/dbraw/zinc/68/00/18/1335680018.db2.gz XLIKYYOFINUOER-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)n2)[C@H]1C ZINC001331930469 1335680045 /nfs/dbraw/zinc/68/00/45/1335680045.db2.gz XLIKYYOFINUOER-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001332901228 1335927771 /nfs/dbraw/zinc/92/77/71/1335927771.db2.gz YKTLZHOJDFQAHU-GOSISDBHSA-N 2 0 331.504 2.445 10 0 EEAERP C[NH2+]CCOc1ccccc1-c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001334071974 1336201690 /nfs/dbraw/zinc/20/16/90/1336201690.db2.gz QVCFYKJFWJUGND-HNNXBMFYSA-N 2 0 328.416 2.144 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCOC(C)C ZINC001479268677 1337321486 /nfs/dbraw/zinc/32/14/86/1337321486.db2.gz ALUPKTIHMXOLET-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C[N@H+](C)C(C)C ZINC001668651971 1355979867 /nfs/dbraw/zinc/97/98/67/1355979867.db2.gz CZJSEZHOVQHELK-UHFFFAOYSA-N 2 0 326.872 2.013 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001669909061 1356237698 /nfs/dbraw/zinc/23/76/98/1356237698.db2.gz CLAAGOCQYVEPRO-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001500352250 1342177774 /nfs/dbraw/zinc/17/77/74/1342177774.db2.gz QMTQKYSYUWEDOX-YKNXIFKJSA-N 2 0 333.879 2.247 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCOCC1 ZINC001506572741 1342254260 /nfs/dbraw/zinc/25/42/60/1342254260.db2.gz MQWHAUBQTWVFMX-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001506674898 1342309825 /nfs/dbraw/zinc/30/98/25/1342309825.db2.gz IRAACYQZMDNMGL-OAHLLOKOSA-N 2 0 340.471 2.200 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)on1 ZINC001569824862 1342953428 /nfs/dbraw/zinc/95/34/28/1342953428.db2.gz BNIXYFLXHXJJIM-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001570660925 1343098104 /nfs/dbraw/zinc/09/81/04/1343098104.db2.gz CXCJTTKLXAWNAF-UHFFFAOYSA-N 2 0 344.459 2.262 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCc1ccccc1 ZINC001571387845 1343202205 /nfs/dbraw/zinc/20/22/05/1343202205.db2.gz DDSJDFFMEBHAHR-YQVWRLOYSA-N 2 0 331.504 2.396 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001676205263 1357119646 /nfs/dbraw/zinc/11/96/46/1357119646.db2.gz SQXBAQRZWCUFPG-CHWSQXEVSA-N 2 0 334.291 2.226 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001676317921 1357133821 /nfs/dbraw/zinc/13/38/21/1357133821.db2.gz DJERZNCYEMRHMM-CRAIPNDOSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423302 1357148784 /nfs/dbraw/zinc/14/87/84/1357148784.db2.gz CZNWKHSFNBNVOZ-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)[C@H]1C ZINC001676679571 1357179276 /nfs/dbraw/zinc/17/92/76/1357179276.db2.gz AQKBADMOWPJURQ-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001676768483 1357197403 /nfs/dbraw/zinc/19/74/03/1357197403.db2.gz UVSOETWGTYKVSA-WMZOPIPTSA-N 2 0 349.523 2.275 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](Cc3ccsc3)CC2)C1 ZINC001677621787 1357375162 /nfs/dbraw/zinc/37/51/62/1357375162.db2.gz XDRUYZNBXVVXBD-MRXNPFEDSA-N 2 0 333.501 2.338 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)C1CCCCC1 ZINC001646933137 1353055350 /nfs/dbraw/zinc/05/53/50/1353055350.db2.gz UKVZWNPWSUGCJP-XSLAGTTESA-N 2 0 336.524 2.136 10 0 EEAERP FC(F)(F)C1(c2nc([C@H]3C[NH+]4CCC3CC4)no2)CC[NH2+]CC1 ZINC001647413774 1353268588 /nfs/dbraw/zinc/26/85/88/1353268588.db2.gz KBTWKVFSKABKKB-NSHDSACASA-N 2 0 330.354 2.062 10 0 EEAERP COCCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001649461274 1353517998 /nfs/dbraw/zinc/51/79/98/1353517998.db2.gz XASBUBDISCTUJD-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001671252304 1354024961 /nfs/dbraw/zinc/02/49/61/1354024961.db2.gz WFJYZYIUCYPTNV-IRXDYDNUSA-N 2 0 337.508 2.033 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001656447299 1354237828 /nfs/dbraw/zinc/23/78/28/1354237828.db2.gz GHDKNGPYDSJJQR-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001660304016 1354434509 /nfs/dbraw/zinc/43/45/09/1354434509.db2.gz MUNMCUZHZYRUBT-WMLDXEAASA-N 2 0 333.467 2.385 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001661959243 1354728985 /nfs/dbraw/zinc/72/89/85/1354728985.db2.gz JSGJGQRJVAAEKB-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001664391333 1355153321 /nfs/dbraw/zinc/15/33/21/1355153321.db2.gz IMILSVKHKUMLSQ-HOTGVXAUSA-N 2 0 349.523 2.193 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cncs1)[NH+]1CCCCC1 ZINC001664395121 1355153769 /nfs/dbraw/zinc/15/37/69/1355153769.db2.gz MCBANKLFVHUSHK-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)C[NH+]2CC[C@H](C)C2)C(C)C)o1 ZINC001664539145 1355189034 /nfs/dbraw/zinc/18/90/34/1355189034.db2.gz BLIJTCWVIGJDAK-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001665871282 1355402803 /nfs/dbraw/zinc/40/28/03/1355402803.db2.gz GJPBZFLSTQGDCH-UONOGXRCSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)o1 ZINC001667209761 1355673422 /nfs/dbraw/zinc/67/34/22/1355673422.db2.gz BTZGDRLRBOOOER-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001667216330 1355676080 /nfs/dbraw/zinc/67/60/80/1355676080.db2.gz GJHYFWMPVZHIHO-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ocnc1C ZINC001667301878 1355703650 /nfs/dbraw/zinc/70/36/50/1355703650.db2.gz LRMKEFWZRHVPSG-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCC(F)(F)F)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668882865 1356033780 /nfs/dbraw/zinc/03/37/80/1356033780.db2.gz KXRHXGZPDLRWAQ-PQXPCTDFSA-N 2 0 333.398 2.218 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883253 1356033908 /nfs/dbraw/zinc/03/39/08/1356033908.db2.gz NUISFNOSMYHBJC-QVOQXLMASA-N 2 0 342.487 2.169 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1cccc2c1CCOC2 ZINC001670357623 1356326450 /nfs/dbraw/zinc/32/64/50/1356326450.db2.gz LIVVFKNTNPWLNB-UHFFFAOYSA-N 2 0 347.503 2.038 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCCF)C2)CC1 ZINC001672233497 1356485450 /nfs/dbraw/zinc/48/54/50/1356485450.db2.gz BWLPFIDHEMQPRU-DOTOQJQBSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001672897696 1356610130 /nfs/dbraw/zinc/61/01/30/1356610130.db2.gz VDFWXIYRAFPXFX-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001672917428 1356615009 /nfs/dbraw/zinc/61/50/09/1356615009.db2.gz WMMANSULDLSWEB-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001673650551 1356726480 /nfs/dbraw/zinc/72/64/80/1356726480.db2.gz KMYRNZAMBBXMKI-GOSISDBHSA-N 2 0 327.488 2.392 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001675819273 1357052375 /nfs/dbraw/zinc/05/23/75/1357052375.db2.gz QQHCBFVFMLNMSM-FHWLQOOXSA-N 2 0 329.488 2.055 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698828812 1405095687 /nfs/dbraw/zinc/09/56/87/1405095687.db2.gz QCZGJUYYYGYHCF-AEFFLSMTSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001699261531 1405304345 /nfs/dbraw/zinc/30/43/45/1405304345.db2.gz PMQLACOMSWKPLQ-FSPKCKTGSA-N 2 0 343.462 2.414 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001699740836 1405463367 /nfs/dbraw/zinc/46/33/67/1405463367.db2.gz RRZQCCITQPBPKS-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCOCC1 ZINC001699885439 1405551594 /nfs/dbraw/zinc/55/15/94/1405551594.db2.gz FJTJBKSIUWGQHD-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000921327141 773289371 /nfs/dbraw/zinc/28/93/71/773289371.db2.gz YWLUYSZWOZMAIV-FPAYPSAMSA-N 2 0 344.503 2.289 10 0 EEAERP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C[NH+](C)C ZINC000921388297 773327705 /nfs/dbraw/zinc/32/77/05/773327705.db2.gz FNBTVSYVJSDHEH-DOTOQJQBSA-N 2 0 349.523 2.350 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000817924382 785076489 /nfs/dbraw/zinc/07/64/89/785076489.db2.gz WCWBCSSRIMVFPT-DLBZAZTESA-N 2 0 333.476 2.061 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3ccccc3Cl)C2)CC1 ZINC000819054182 785377984 /nfs/dbraw/zinc/37/79/84/785377984.db2.gz OEZDJVMOATYNJC-KDOFPFPSSA-N 2 0 337.895 2.132 10 0 EEAERP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923458100 789576044 /nfs/dbraw/zinc/57/60/44/789576044.db2.gz LOEJBYNWFSMHJS-YJBOKZPZSA-N 2 0 345.487 2.406 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000923449648 789579836 /nfs/dbraw/zinc/57/98/36/789579836.db2.gz POIOLPPZOXPRKZ-SFHVURJKSA-N 2 0 326.444 2.202 10 0 EEAERP Fc1ccc(COc2ccc(CN3CC[NH2+]CC[NH2+]CC3)cc2)cc1 ZINC000923461803 789596374 /nfs/dbraw/zinc/59/63/74/789596374.db2.gz WJPSWZHZVGFUHI-UHFFFAOYSA-N 2 0 343.446 2.400 10 0 EEAERP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497163 789670772 /nfs/dbraw/zinc/67/07/72/789670772.db2.gz GACUXEAVAGIYAH-FUHWJXTLSA-N 2 0 347.503 2.222 10 0 EEAERP C[C@@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923497127 789671056 /nfs/dbraw/zinc/67/10/56/789671056.db2.gz FDXAHZAUOXNXRW-CHWSQXEVSA-N 2 0 334.395 2.204 10 0 EEAERP CCCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846226792 790094362 /nfs/dbraw/zinc/09/43/62/790094362.db2.gz CADSKKPXWSQXHH-BRWVUGGUSA-N 2 0 325.497 2.044 10 0 EEAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc(Br)c[nH]2)C[C@H](C)O1 ZINC000921761765 795789507 /nfs/dbraw/zinc/78/95/07/795789507.db2.gz YNLCOOYBUFSSGX-RYUDHWBXSA-N 2 0 345.285 2.151 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000922465237 801117618 /nfs/dbraw/zinc/11/76/18/801117618.db2.gz DFDAJDVHXPBBCM-ZWKOTPCHSA-N 2 0 347.507 2.248 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566074918 1125547739 /nfs/dbraw/zinc/54/77/39/1125547739.db2.gz DJLMAWORKXAPFP-ROUUACIJSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566453685 1125612845 /nfs/dbraw/zinc/61/28/45/1125612845.db2.gz GIWUGWOOEWAWNM-OAHLLOKOSA-N 2 0 349.441 2.499 10 0 EEAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001566473337 1125634243 /nfs/dbraw/zinc/63/42/43/1125634243.db2.gz KKHYXOAIZHRHEN-HNNXBMFYSA-N 2 0 329.448 2.365 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001566508925 1125678454 /nfs/dbraw/zinc/67/84/54/1125678454.db2.gz VQVAEBXQVMSQPR-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1cnc(C)cn1 ZINC001566550448 1125721970 /nfs/dbraw/zinc/72/19/70/1125721970.db2.gz IOYPGPGOODJYDP-IXDOHACOSA-N 2 0 347.507 2.014 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(CF)cc1 ZINC001566575004 1125755491 /nfs/dbraw/zinc/75/54/91/1125755491.db2.gz QQENEJMZVANZLC-GOSISDBHSA-N 2 0 335.467 2.436 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cncs1 ZINC001566576362 1125758154 /nfs/dbraw/zinc/75/81/54/1125758154.db2.gz LSOHIHJOERJNBY-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001436429372 1087795265 /nfs/dbraw/zinc/79/52/65/1087795265.db2.gz ADIXZDRGPPJMFQ-ZBFHGGJFSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001436731086 1088202745 /nfs/dbraw/zinc/20/27/45/1088202745.db2.gz PGSANBVWWLDTIU-OAHLLOKOSA-N 2 0 325.403 2.266 10 0 EEAERP COc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c1C ZINC001436772828 1088315079 /nfs/dbraw/zinc/31/50/79/1088315079.db2.gz CTVPTHMTYWSMPR-ROUUACIJSA-N 2 0 345.487 2.082 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)c1 ZINC001436801530 1088380400 /nfs/dbraw/zinc/38/04/00/1088380400.db2.gz ULUDFLGLFPOOSX-RBUKOAKNSA-N 2 0 329.488 2.464 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436835997 1088460454 /nfs/dbraw/zinc/46/04/54/1088460454.db2.gz WJDWQTXIJCPXPO-HOTGVXAUSA-N 2 0 336.505 2.002 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCOC1 ZINC001436934713 1088608741 /nfs/dbraw/zinc/60/87/41/1088608741.db2.gz FVJALMDIMGCQRI-MVCQKVDPSA-N 2 0 349.519 2.011 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001437059575 1088958561 /nfs/dbraw/zinc/95/85/61/1088958561.db2.gz ANVALBXUNWZSBQ-HOCLYGCPSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001437389740 1089641715 /nfs/dbraw/zinc/64/17/15/1089641715.db2.gz OLQHUASOQXVBGL-GDBMZVCRSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC[C@@H]1CCCCO1 ZINC001437621576 1090133697 /nfs/dbraw/zinc/13/36/97/1090133697.db2.gz XAXSKYPCOLQSRM-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001437661115 1090189897 /nfs/dbraw/zinc/18/98/97/1090189897.db2.gz PKKQUCGDXRISOV-ZWKOTPCHSA-N 2 0 335.467 2.447 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001437728954 1090284766 /nfs/dbraw/zinc/28/47/66/1090284766.db2.gz ROBYPNBNHNPXLI-FUHWJXTLSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC001437743684 1090306498 /nfs/dbraw/zinc/30/64/98/1090306498.db2.gz XHNMILWHCSYXBW-QPGLYAHGSA-N 2 0 329.488 2.478 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cncc(C)c1 ZINC001438304229 1090782999 /nfs/dbraw/zinc/78/29/99/1090782999.db2.gz MUAPAILFLLDKRS-ZWKOTPCHSA-N 2 0 332.492 2.247 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccnc1 ZINC001438337541 1090813105 /nfs/dbraw/zinc/81/31/05/1090813105.db2.gz CSQNFWHWPAOWIH-FUHWJXTLSA-N 2 0 332.492 2.331 10 0 EEAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCC2)CC1 ZINC001438405724 1090891866 /nfs/dbraw/zinc/89/18/66/1090891866.db2.gz UPQKLXHTXZDLFI-UHFFFAOYSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438521013 1091013424 /nfs/dbraw/zinc/01/34/24/1091013424.db2.gz OKZLBBFLFZADES-AWEZNQCLSA-N 2 0 348.491 2.268 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001438550616 1091043049 /nfs/dbraw/zinc/04/30/49/1091043049.db2.gz YPPPSSYGFOQZKV-AEFFLSMTSA-N 2 0 331.504 2.487 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001438655389 1091142723 /nfs/dbraw/zinc/14/27/23/1091142723.db2.gz VXCPPYQZHCFYST-SUMWQHHRSA-N 2 0 336.480 2.101 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438707830 1091221133 /nfs/dbraw/zinc/22/11/33/1091221133.db2.gz HJINKUHIIWRSHP-HZPDHXFCSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438723654 1091251651 /nfs/dbraw/zinc/25/16/51/1091251651.db2.gz QQJKZQLKFLDUAN-MAUKXSAKSA-N 2 0 340.471 2.123 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438728482 1091264512 /nfs/dbraw/zinc/26/45/12/1091264512.db2.gz KTBPGCFGWRZUQO-RBUKOAKNSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001438771255 1091356055 /nfs/dbraw/zinc/35/60/55/1091356055.db2.gz OONJWYVATDEQKY-OLZOCXBDSA-N 2 0 336.307 2.472 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438774997 1091364168 /nfs/dbraw/zinc/36/41/68/1091364168.db2.gz UNBQXYMENSFILH-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001438829839 1091448352 /nfs/dbraw/zinc/44/83/52/1091448352.db2.gz QHEQYBXLZBOIDW-QAPCUYQASA-N 2 0 335.467 2.398 10 0 EEAERP CN(CC[N@H+](C)CCc1ccccc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001438889039 1091533997 /nfs/dbraw/zinc/53/39/97/1091533997.db2.gz IHQMYQGEXXWVEU-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP COc1cc(C[N@H+](C)CCN(C)C(=O)C[C@H]2CC[NH+](C)C2)ccc1C ZINC001438926624 1091599867 /nfs/dbraw/zinc/59/98/67/1091599867.db2.gz GDUDDIGSBMNOBP-GOSISDBHSA-N 2 0 347.503 2.236 10 0 EEAERP CN(CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)C12CC[NH+](CC1)C2 ZINC001438930479 1091611195 /nfs/dbraw/zinc/61/11/95/1091611195.db2.gz VXZXVQCUEDANJG-SFHVURJKSA-N 2 0 345.462 2.299 10 0 EEAERP CC(C)n1ccc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001445778940 1091645385 /nfs/dbraw/zinc/64/53/85/1091645385.db2.gz FBQGLBBNBCIUPG-IKGGRYGDSA-N 2 0 349.523 2.131 10 0 EEAERP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001445832758 1091725119 /nfs/dbraw/zinc/72/51/19/1091725119.db2.gz ORNKYIUPJQKXMN-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439221994 1091866585 /nfs/dbraw/zinc/86/65/85/1091866585.db2.gz QKVNVPMKGYJDIC-BLLLJJGKSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439270175 1091928559 /nfs/dbraw/zinc/92/85/59/1091928559.db2.gz ZTVOQJVPLZDFMR-HOCLYGCPSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001445986305 1091953090 /nfs/dbraw/zinc/95/30/90/1091953090.db2.gz CIHQBKNZQUSBKL-PKOBYXMFSA-N 2 0 329.488 2.321 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001446222915 1092324045 /nfs/dbraw/zinc/32/40/45/1092324045.db2.gz BZANWNSZKNHXTE-SFHVURJKSA-N 2 0 340.471 2.391 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1)[NH+](C)C ZINC001446260935 1092397299 /nfs/dbraw/zinc/39/72/99/1092397299.db2.gz MNKBWFOXVKFSBH-IRXDYDNUSA-N 2 0 333.451 2.392 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001439678216 1092619115 /nfs/dbraw/zinc/61/91/15/1092619115.db2.gz RGFJQWKIPVFHKM-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001439767151 1092726197 /nfs/dbraw/zinc/72/61/97/1092726197.db2.gz NCWAQYYJAFDCRQ-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(Cc3cncc(F)c3)CC2)C1 ZINC001439797960 1092755190 /nfs/dbraw/zinc/75/51/90/1092755190.db2.gz APWLAHGIOYMNMK-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001439904866 1092971008 /nfs/dbraw/zinc/97/10/08/1092971008.db2.gz SRJCPXZKIZKXIE-SJLPKXTDSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@]1(C[NH2+]Cc2ccccc2F)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001439910037 1092978057 /nfs/dbraw/zinc/97/80/57/1092978057.db2.gz CAAGDCYLTYWFHQ-LJQANCHMSA-N 2 0 333.451 2.250 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001440225839 1093306543 /nfs/dbraw/zinc/30/65/43/1093306543.db2.gz SJYJQCDRZFJFNA-VQIMIIECSA-N 2 0 347.503 2.474 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC001448394083 1093393054 /nfs/dbraw/zinc/39/30/54/1093393054.db2.gz OZLAFPIETMAPRJ-QGZVFWFLSA-N 2 0 344.459 2.428 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001448464588 1093474545 /nfs/dbraw/zinc/47/45/45/1093474545.db2.gz AIMMNFLTVWQHQM-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1oncc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001440340256 1093485589 /nfs/dbraw/zinc/48/55/89/1093485589.db2.gz IOSMISWAWNWRMG-SJORKVTESA-N 2 0 346.475 2.128 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1c1ccccc1 ZINC001440377582 1093544864 /nfs/dbraw/zinc/54/48/64/1093544864.db2.gz XKWFAHSKYDKBTB-RCCFBDPRSA-N 2 0 335.467 2.270 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001440408184 1093601121 /nfs/dbraw/zinc/60/11/21/1093601121.db2.gz DUZYPFMYBWHSNZ-RCCFBDPRSA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]C/C(Cl)=C/Cl)C2CC2)C1 ZINC001448598747 1093659992 /nfs/dbraw/zinc/65/99/92/1093659992.db2.gz WXOLZBOEEBCHEY-LRAISJKKSA-N 2 0 348.318 2.474 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)cs1 ZINC001448616871 1093683142 /nfs/dbraw/zinc/68/31/42/1093683142.db2.gz LKMBNEVGBQTJGN-KRWDZBQOSA-N 2 0 335.517 2.479 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC1CC(F)(F)C1 ZINC001440745556 1093993837 /nfs/dbraw/zinc/99/38/37/1093993837.db2.gz HHXGZQWWURHGCY-HNNXBMFYSA-N 2 0 331.451 2.295 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001449007880 1094008142 /nfs/dbraw/zinc/00/81/42/1094008142.db2.gz HURVZBSRFMKWQT-HDMKZQKVSA-N 2 0 325.472 2.190 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC001449093204 1094104386 /nfs/dbraw/zinc/10/43/86/1094104386.db2.gz SFPGAPKTZDIUQT-QGZVFWFLSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440851809 1094111512 /nfs/dbraw/zinc/11/15/12/1094111512.db2.gz FNBYHIDVRVINAK-HUUCEWRRSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H](O)C[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001449307424 1094261254 /nfs/dbraw/zinc/26/12/54/1094261254.db2.gz HVXGXTBUSLZAEH-HOCLYGCPSA-N 2 0 341.540 2.141 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ncccc1C)C(C)(C)C)[NH+](C)C ZINC001449309770 1094262945 /nfs/dbraw/zinc/26/29/45/1094262945.db2.gz OHTGZIYBWIPPQM-IAGOWNOFSA-N 2 0 334.508 2.351 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(CO)cc1)C(C)(C)C)[NH+](C)C ZINC001449311789 1094264623 /nfs/dbraw/zinc/26/46/23/1094264623.db2.gz SGSOTCCVGJQRBW-QZTJIDSGSA-N 2 0 349.519 2.140 10 0 EEAERP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001440997394 1094265324 /nfs/dbraw/zinc/26/53/24/1094265324.db2.gz SYDMKNPNEFOEKY-IRXDYDNUSA-N 2 0 347.503 2.295 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]Cc2cncs2)C(C)(C)C)CC1 ZINC001449326384 1094278267 /nfs/dbraw/zinc/27/82/67/1094278267.db2.gz VQDGYSWAMLMESU-OAHLLOKOSA-N 2 0 338.521 2.105 10 0 EEAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001449405365 1094385589 /nfs/dbraw/zinc/38/55/89/1094385589.db2.gz VSLNQEVESIOMBM-WWDZGPRUSA-N 2 0 339.499 2.436 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441185513 1094542875 /nfs/dbraw/zinc/54/28/75/1094542875.db2.gz XONKUAVQMFACOR-KRWDZBQOSA-N 2 0 331.504 2.316 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ocnc3C)C[C@@H]2C1 ZINC001441331921 1094797255 /nfs/dbraw/zinc/79/72/55/1094797255.db2.gz BMYLVKAXUMESKR-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+]1CCC(C)CC1 ZINC001441345689 1094851569 /nfs/dbraw/zinc/85/15/69/1094851569.db2.gz ZRMMJGWKJKWKKJ-IRXDYDNUSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001441376693 1094913773 /nfs/dbraw/zinc/91/37/73/1094913773.db2.gz DGZLRJKZDBGDLL-SHTZXODSSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441529712 1095237232 /nfs/dbraw/zinc/23/72/32/1095237232.db2.gz ANSCJYANWIBUPI-INIZCTEOSA-N 2 0 346.519 2.173 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC001441537328 1095250376 /nfs/dbraw/zinc/25/03/76/1095250376.db2.gz YIBFINXTTKUIEV-UKRRQHHQSA-N 2 0 338.521 2.261 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC001441557629 1095299696 /nfs/dbraw/zinc/29/96/96/1095299696.db2.gz WLUIUVFHZGLVJL-MOPGFXCFSA-N 2 0 344.503 2.284 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2conc2C)C1 ZINC001441574407 1095356729 /nfs/dbraw/zinc/35/67/29/1095356729.db2.gz ZUWRPZSMPGWZMR-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CCCN(c2ccc(NC(=O)CC[NH+]3CC[C@H](F)C3)cc2)CC1 ZINC001441637171 1095544626 /nfs/dbraw/zinc/54/46/26/1095544626.db2.gz DITLQPVEDYKOGT-INIZCTEOSA-N 2 0 348.466 2.201 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001441652110 1095606765 /nfs/dbraw/zinc/60/67/65/1095606765.db2.gz FFDOJSOOJUGYEF-KXBFYZLASA-N 2 0 329.488 2.064 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001441652085 1095607152 /nfs/dbraw/zinc/60/71/52/1095607152.db2.gz FFDOJSOOJUGYEF-DNVCBOLYSA-N 2 0 329.488 2.064 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001441761669 1095759162 /nfs/dbraw/zinc/75/91/62/1095759162.db2.gz UICQHISPIYNDDH-OFLPRAFFSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCC1CCOCC1 ZINC001441913501 1096089915 /nfs/dbraw/zinc/08/99/15/1096089915.db2.gz YGIPPRKPUARNOQ-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056066 1096268971 /nfs/dbraw/zinc/26/89/71/1096268971.db2.gz ASQZMPFTVWPMOK-RDJZCZTQSA-N 2 0 349.523 2.107 10 0 EEAERP CO[C@@H](C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001442533663 1096893207 /nfs/dbraw/zinc/89/32/07/1096893207.db2.gz BEVVXRPQYVLIJI-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccc2c(c1)CCC2 ZINC001442759174 1097134097 /nfs/dbraw/zinc/13/40/97/1097134097.db2.gz YXHHRMBIVZSAET-UHFFFAOYSA-N 2 0 331.504 2.454 10 0 EEAERP Cc1cccc(CCC[N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001442802701 1097183830 /nfs/dbraw/zinc/18/38/30/1097183830.db2.gz SMSMABSEIRNDSC-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001443622185 1098117520 /nfs/dbraw/zinc/11/75/20/1098117520.db2.gz JKSIJEDHWCZENA-UHFFFAOYSA-N 2 0 329.488 2.454 10 0 EEAERP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001443853595 1098373694 /nfs/dbraw/zinc/37/36/94/1098373694.db2.gz JGGANJYAPJYOJF-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444050000 1098575202 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325.472 2.237 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)[NH+](C)C ZINC001480157659 1099729555 /nfs/dbraw/zinc/72/95/55/1099729555.db2.gz AZYFENOTGGLKQM-AJNGGQMLSA-N 2 0 331.451 2.389 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001480209646 1099818603 /nfs/dbraw/zinc/81/86/03/1099818603.db2.gz YFCADCMYUWIHBL-IXDOHACOSA-N 2 0 333.451 2.437 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001480238245 1099869209 /nfs/dbraw/zinc/86/92/09/1099869209.db2.gz QHIIQCBUVHTWDI-RIMWYZOYSA-N 2 0 334.291 2.418 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)o1 ZINC001480240151 1099875357 /nfs/dbraw/zinc/87/53/57/1099875357.db2.gz RHBFSFZDEGBBTI-JZXOWHBKSA-N 2 0 348.491 2.230 10 0 EEAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001480478947 1100286621 /nfs/dbraw/zinc/28/66/21/1100286621.db2.gz CBNGPXIFEMCICM-AEFFLSMTSA-N 2 0 346.519 2.221 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001480492370 1100304017 /nfs/dbraw/zinc/30/40/17/1100304017.db2.gz JIQVTECHWCLOCX-LPHOPBHVSA-N 2 0 346.519 2.413 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]Cc1cncs1 ZINC001480510287 1100338375 /nfs/dbraw/zinc/33/83/75/1100338375.db2.gz VSWVLBOKMBKSRK-CQSZACIVSA-N 2 0 338.521 2.250 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001496247677 1100817720 /nfs/dbraw/zinc/81/77/20/1100817720.db2.gz GNCZTHXDPMJWTP-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001496367580 1100960402 /nfs/dbraw/zinc/96/04/02/1100960402.db2.gz DZMLLQWMJLGTEI-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001496372107 1100965498 /nfs/dbraw/zinc/96/54/98/1100965498.db2.gz VGQFSEBHXACZME-NVXWUHKLSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)cc1F)C1CC1 ZINC001495275549 1100972261 /nfs/dbraw/zinc/97/22/61/1100972261.db2.gz BIQBMTKTQDUCBN-SFHVURJKSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001446552282 1101022851 /nfs/dbraw/zinc/02/28/51/1101022851.db2.gz ILAYBRFOOXYCPZ-IEBWSBKVSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001495380136 1101100095 /nfs/dbraw/zinc/10/00/95/1101100095.db2.gz PSOLQEJLOMKCHB-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC001495419259 1101139121 /nfs/dbraw/zinc/13/91/21/1101139121.db2.gz XRUUEYJXUYJXAO-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001495430024 1101148491 /nfs/dbraw/zinc/14/84/91/1101148491.db2.gz DHSMTSCXBYEZTR-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001496559108 1101160460 /nfs/dbraw/zinc/16/04/60/1101160460.db2.gz TWJZRRLTIXEECI-RTBURBONSA-N 2 0 346.519 2.493 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCCC2CC[NH+](C/C=C/Cl)CC2)C1 ZINC001495535975 1101251461 /nfs/dbraw/zinc/25/14/61/1101251461.db2.gz NVAARONIIANWJO-MPUHIQPUSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001495577783 1101286258 /nfs/dbraw/zinc/28/62/58/1101286258.db2.gz PXFPJQBPDMOZNB-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446944630 1101634689 /nfs/dbraw/zinc/63/46/89/1101634689.db2.gz TXZIWOXHJDMCMB-WMZOPIPTSA-N 2 0 346.519 2.031 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001447101362 1101993999 /nfs/dbraw/zinc/99/39/99/1101993999.db2.gz PPHGRBGEMIUNIV-UHFFFAOYSA-N 2 0 335.414 2.205 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001496111841 1102084321 /nfs/dbraw/zinc/08/43/21/1102084321.db2.gz QOPIPZRUTGSNQX-ZIAGYGMSSA-N 2 0 333.411 2.066 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496168717 1102161385 /nfs/dbraw/zinc/16/13/85/1102161385.db2.gz HFUJPODPDBVZKZ-HUUCEWRRSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001447210528 1102210458 /nfs/dbraw/zinc/21/04/58/1102210458.db2.gz AXDRSRPESPJMAZ-ZBFHGGJFSA-N 2 0 348.516 2.289 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001497261843 1102214527 /nfs/dbraw/zinc/21/45/27/1102214527.db2.gz GGKSYZJGNCICBB-XJKSGUPXSA-N 2 0 340.899 2.306 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497269235 1102227373 /nfs/dbraw/zinc/22/73/73/1102227373.db2.gz XJHFRIVKPPHLEK-HZPDHXFCSA-N 2 0 341.540 2.264 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497304082 1102285847 /nfs/dbraw/zinc/28/58/47/1102285847.db2.gz MIAMYUMDKNBLCB-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)CC1 ZINC001447293825 1102380446 /nfs/dbraw/zinc/38/04/46/1102380446.db2.gz DXAMKFKNLYSCAV-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)c1C ZINC001447293837 1102382069 /nfs/dbraw/zinc/38/20/69/1102382069.db2.gz FCIXUHYUJBAQBI-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001497485453 1102563676 /nfs/dbraw/zinc/56/36/76/1102563676.db2.gz CNTVPVGRFWZSIX-OAHLLOKOSA-N 2 0 333.451 2.421 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCC(C)(C)C)C1 ZINC001447473064 1102714710 /nfs/dbraw/zinc/71/47/10/1102714710.db2.gz QLMKNFQVKQFJSB-LJQANCHMSA-N 2 0 341.540 2.098 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001497690841 1102912536 /nfs/dbraw/zinc/91/25/36/1102912536.db2.gz IIXFDBRHSPUSJJ-DKFQHHCZSA-N 2 0 348.491 2.316 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001497766697 1103065315 /nfs/dbraw/zinc/06/53/15/1103065315.db2.gz VVLORYHFTSFYOC-WRFKIARRSA-N 2 0 333.451 2.415 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC001493907553 1103099524 /nfs/dbraw/zinc/09/95/24/1103099524.db2.gz ZKRAQKRUKKHHTD-LJQANCHMSA-N 2 0 340.471 2.369 10 0 EEAERP C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497827072 1103157321 /nfs/dbraw/zinc/15/73/21/1103157321.db2.gz FSQOQMQYXYYQOC-KDOFPFPSSA-N 2 0 348.466 2.222 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001494119959 1103551413 /nfs/dbraw/zinc/55/14/13/1103551413.db2.gz NSNQNLLCDQGMSK-UXHICEINSA-N 2 0 343.515 2.412 10 0 EEAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001447932275 1103631439 /nfs/dbraw/zinc/63/14/39/1103631439.db2.gz MHVZVNDUEWWOAA-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001447935443 1103639069 /nfs/dbraw/zinc/63/90/69/1103639069.db2.gz RISAYWPFEZWULJ-HOTGVXAUSA-N 2 0 347.503 2.271 10 0 EEAERP 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346.475 2.081 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498863391 1108241401 /nfs/dbraw/zinc/24/14/01/1108241401.db2.gz KZCVWOSVMIJZLK-LJQANCHMSA-N 2 0 329.488 2.384 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493550193 1108298366 /nfs/dbraw/zinc/29/83/66/1108298366.db2.gz LTLVNVKRSZUIAU-GDBMZVCRSA-N 2 0 343.462 2.202 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001493589876 1108366274 /nfs/dbraw/zinc/36/62/74/1108366274.db2.gz HWQPWZMIDJEGDS-ZWKOTPCHSA-N 2 0 333.451 2.391 10 0 EEAERP CN(CC[NH2+]Cc1cnc(-c2ccccc2)s1)C(=O)CC[NH+](C)C ZINC001493682719 1108500555 /nfs/dbraw/zinc/50/05/55/1108500555.db2.gz ZPNSPJJFEYEYEA-UHFFFAOYSA-N 2 0 346.500 2.310 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1Cc1ccc(C)nc1C ZINC001499102251 1108588345 /nfs/dbraw/zinc/58/83/45/1108588345.db2.gz PLYPNVIJBLBCPY-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP COCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001493818126 1108698802 /nfs/dbraw/zinc/69/88/02/1108698802.db2.gz FOFJXFGSIWQSSQ-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001493827351 1108708704 /nfs/dbraw/zinc/70/87/04/1108708704.db2.gz MTINNCDRSUCYKU-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001464874931 1110406236 /nfs/dbraw/zinc/40/62/36/1110406236.db2.gz UTANZRQRAVGBBT-MJGOQNOKSA-N 2 0 331.504 2.255 10 0 EEAERP CC(C)CNC(=O)c1cccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001473842647 1110582423 /nfs/dbraw/zinc/58/24/23/1110582423.db2.gz UNHMOEBXACVIOK-QUCCMNQESA-N 2 0 329.488 2.456 10 0 EEAERP COc1ccc(CC[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+](C)C(C)C)cc1 ZINC001479272246 1110673626 /nfs/dbraw/zinc/67/36/26/1110673626.db2.gz ZIIVXPFZKURUIS-GOSISDBHSA-N 2 0 347.503 2.111 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1 ZINC001499255361 1112203282 /nfs/dbraw/zinc/20/32/82/1112203282.db2.gz ZQVKFNOHQYFAKJ-CQSZACIVSA-N 2 0 329.435 2.145 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3cncs3)CC2)C1 ZINC001499324322 1112233283 /nfs/dbraw/zinc/23/32/83/1112233283.db2.gz HMDRKAMVXYOWMC-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2([NH2+]C/C=C/Cl)CC2)C1 ZINC001499352709 1112246609 /nfs/dbraw/zinc/24/66/09/1112246609.db2.gz SFAFWEXCSAIXLX-YCOJEUHLSA-N 2 0 331.863 2.190 10 0 EEAERP CC(C)c1cccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001499447966 1112291191 /nfs/dbraw/zinc/29/11/91/1112291191.db2.gz BVOYWROLJYYUFS-UHFFFAOYSA-N 2 0 330.476 2.039 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001499987010 1112567019 /nfs/dbraw/zinc/56/70/19/1112567019.db2.gz VURCKJWLHIOIOW-LSDHHAIUSA-N 2 0 333.467 2.385 10 0 EEAERP COCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500502459 1112894156 /nfs/dbraw/zinc/89/41/56/1112894156.db2.gz VNFRBZVTXWQHOC-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C\Cl)C3)CCC1 ZINC001501006323 1113163764 /nfs/dbraw/zinc/16/37/64/1113163764.db2.gz SNMVOLTUSFGJRG-XDTXHMCESA-N 2 0 325.884 2.192 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001501071072 1113188030 /nfs/dbraw/zinc/18/80/30/1113188030.db2.gz KLIICKPUWLXTGB-DLBZAZTESA-N 2 0 341.540 2.216 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001501190051 1113234842 /nfs/dbraw/zinc/23/48/42/1113234842.db2.gz MYEBDSMJBQWGNU-RVBKYCJKSA-N 2 0 327.900 2.203 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCC1 ZINC001501964076 1113539817 /nfs/dbraw/zinc/53/98/17/1113539817.db2.gz DHYBXGDPCIDWSF-HZPDHXFCSA-N 2 0 339.443 2.045 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001502138646 1113611975 /nfs/dbraw/zinc/61/19/75/1113611975.db2.gz WLGCTAVJJFZGNR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[N@H+](C)CCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001502390841 1113661583 /nfs/dbraw/zinc/66/15/83/1113661583.db2.gz SPVZJBNHNNCHPG-UHFFFAOYSA-N 2 0 329.488 2.105 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCOC(C)C)CC1 ZINC001502811337 1113808299 /nfs/dbraw/zinc/80/82/99/1113808299.db2.gz SHVLUCZBEJPRGR-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001505644796 1114105589 /nfs/dbraw/zinc/10/55/89/1114105589.db2.gz IVZSFTUKIUNTRR-HOTGVXAUSA-N 2 0 345.487 2.306 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001505644798 1114105681 /nfs/dbraw/zinc/10/56/81/1114105681.db2.gz IVZSFTUKIUNTRR-HZPDHXFCSA-N 2 0 345.487 2.306 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001505759924 1114174166 /nfs/dbraw/zinc/17/41/66/1114174166.db2.gz DDHARXSFCNCQJD-QWHCGFSZSA-N 2 0 327.419 2.288 10 0 EEAERP C[C@@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505820480 1114213674 /nfs/dbraw/zinc/21/36/74/1114213674.db2.gz UUGQCZKAUPQRRW-OAHLLOKOSA-N 2 0 341.540 2.094 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506038386 1114365679 /nfs/dbraw/zinc/36/56/79/1114365679.db2.gz IXTZASDSKIHIIG-WBVHZDCISA-N 2 0 342.487 2.446 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001506039454 1114366628 /nfs/dbraw/zinc/36/66/28/1114366628.db2.gz UOYAWEUINMOESN-SJLPKXTDSA-N 2 0 346.519 2.031 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21)c1ccccc1 ZINC001506819986 1114894719 /nfs/dbraw/zinc/89/47/19/1114894719.db2.gz IIKQNRDKMZBVOB-AKHDSKFASA-N 2 0 347.478 2.333 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCc1ccccc1F)C2 ZINC001506864788 1114933022 /nfs/dbraw/zinc/93/30/22/1114933022.db2.gz GTHRTLLWBNEANN-UHFFFAOYSA-N 2 0 347.478 2.244 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001506895676 1114956806 /nfs/dbraw/zinc/95/68/06/1114956806.db2.gz CDLPPJKTTLSINL-MZMPZRCHSA-N 2 0 333.451 2.249 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506933446 1114984298 /nfs/dbraw/zinc/98/42/98/1114984298.db2.gz MNBFQRGIKRRDFA-GDBMZVCRSA-N 2 0 336.480 2.267 10 0 EEAERP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCF)[C@@H]3C2)CC1 ZINC001507363899 1115224299 /nfs/dbraw/zinc/22/42/99/1115224299.db2.gz NJBMYNMRNGHVBD-RCCFBDPRSA-N 2 0 339.499 2.295 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507410923 1115256145 /nfs/dbraw/zinc/25/61/45/1115256145.db2.gz PAIZLNLXHRAITD-RBUKOAKNSA-N 2 0 331.504 2.364 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001507410942 1115256173 /nfs/dbraw/zinc/25/61/73/1115256173.db2.gz PLABSXIKFOBTCC-HIFRSBDPSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001508163926 1115432165 /nfs/dbraw/zinc/43/21/65/1115432165.db2.gz ZDMMTZMCWOXGAF-JKSUJKDBSA-N 2 0 339.499 2.437 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001568008891 1124228558 /nfs/dbraw/zinc/22/85/58/1124228558.db2.gz XOJHRLLUDRZLSG-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C[NH2+]CCCc1ccccc1 ZINC001568205837 1124354081 /nfs/dbraw/zinc/35/40/81/1124354081.db2.gz RKZBROOWWXQODN-NQIIRXRSSA-N 2 0 343.515 2.447 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCC2=CCCCC2)CCO1 ZINC001568227092 1124372380 /nfs/dbraw/zinc/37/23/80/1124372380.db2.gz SFPCKJPIEOFION-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568533452 1124596090 /nfs/dbraw/zinc/59/60/90/1124596090.db2.gz ROWDBMXLPNMEKB-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001568695015 1124708953 /nfs/dbraw/zinc/70/89/53/1124708953.db2.gz UGOKUUUHHJPWMZ-CQSZACIVSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)CC[C@@H]2CCC[N@H+]2C)sn1 ZINC001568865749 1124891510 /nfs/dbraw/zinc/89/15/10/1124891510.db2.gz KJDMNSUCRQWRPD-BWPKMQGJSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C\CNC(=O)C23CCC[NH+](CCC2)C3)s1 ZINC001568872038 1124897636 /nfs/dbraw/zinc/89/76/36/1124897636.db2.gz SHQVQPUZBQHNCD-IHWYPQMZSA-N 2 0 348.516 2.090 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001568997466 1125029017 /nfs/dbraw/zinc/02/90/17/1125029017.db2.gz TUJZJKZIXCBDMC-VXGBXAGGSA-N 2 0 336.307 2.149 10 0 EEAERP C[C@@H]([NH3+])Cc1ccc(Br)cc1N1CCC[N@H+](C)CC1 ZINC000104269015 219368273 /nfs/dbraw/zinc/36/82/73/219368273.db2.gz YPRHMVPOFLBICS-GFCCVEGCSA-N 2 0 326.282 2.481 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000069418154 215407491 /nfs/dbraw/zinc/40/74/91/215407491.db2.gz BAJVDWACBDSKLB-UHFFFAOYSA-N 2 0 327.266 2.243 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1scnc1C1CC1)C(=O)NCC[NH+](C)C ZINC000487563630 539964912 /nfs/dbraw/zinc/96/49/12/539964912.db2.gz WVGJRADPSSSRAA-AWEZNQCLSA-N 2 0 338.521 2.203 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1OC(F)F ZINC000422813460 240242798 /nfs/dbraw/zinc/24/27/98/240242798.db2.gz RZCVQUPSORHQEQ-WCFLWFBJSA-N 2 0 330.375 2.139 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422928023 240293582 /nfs/dbraw/zinc/29/35/82/240293582.db2.gz IKAWXGVTLLTZCI-ZDUSSCGKSA-N 2 0 328.840 2.345 10 0 EEAERP C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1C[NH2+]C1 ZINC000423157451 240387755 /nfs/dbraw/zinc/38/77/55/240387755.db2.gz VBZFMUKHLLWLLJ-FZMZJTMJSA-N 2 0 332.398 2.341 10 0 EEAERP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+](C)CC(C)(C)CO ZINC000451259905 243053628 /nfs/dbraw/zinc/05/36/28/243053628.db2.gz YPBPGRXYAGTVRE-ZDUSSCGKSA-N 2 0 330.432 2.354 10 0 EEAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCNS(C)(=O)=O)CC1 ZINC000453061839 243391295 /nfs/dbraw/zinc/39/12/95/243391295.db2.gz DKWJFUJYNWAZDU-UHFFFAOYSA-N 2 0 347.569 2.195 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000262636331 245083977 /nfs/dbraw/zinc/08/39/77/245083977.db2.gz HSQQYBIPAGVGJE-NUJGCVRESA-N 2 0 329.488 2.211 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264075170 246041369 /nfs/dbraw/zinc/04/13/69/246041369.db2.gz HCRRKAKTBWEOMX-LJQANCHMSA-N 2 0 347.503 2.298 10 0 EEAERP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268541180 252008228 /nfs/dbraw/zinc/00/82/28/252008228.db2.gz TUJUSGHMYZLYLN-FUHWJXTLSA-N 2 0 332.492 2.243 10 0 EEAERP CCC(C)(CC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268619633 252074021 /nfs/dbraw/zinc/07/40/21/252074021.db2.gz UTRAQOYULUNRBO-UHFFFAOYSA-N 2 0 347.507 2.472 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000154538753 224268319 /nfs/dbraw/zinc/26/83/19/224268319.db2.gz XLQXUQPERRTFKP-ROUUACIJSA-N 2 0 347.503 2.119 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[NH+]1CCC(C)CC1)CC2 ZINC000173844702 152202195 /nfs/dbraw/zinc/20/21/95/152202195.db2.gz JJNSASZSFWFMIN-MSOLQXFVSA-N 2 0 336.524 2.375 10 0 EEAERP CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262424327 152279199 /nfs/dbraw/zinc/27/91/99/152279199.db2.gz SDIRVXLGYLHMFT-QRQLOZEOSA-N 2 0 345.487 2.049 10 0 EEAERP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CCCCC2)CCO1 ZINC000262667321 152304539 /nfs/dbraw/zinc/30/45/39/152304539.db2.gz KXHLSBWYUZFWET-JKSUJKDBSA-N 2 0 337.508 2.044 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105169820 159298501 /nfs/dbraw/zinc/29/85/01/159298501.db2.gz YIOLDZNQVCURNI-SFHVURJKSA-N 2 0 346.519 2.333 10 0 EEAERP CCC[N@H+](CC(=O)OCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000119992833 159384365 /nfs/dbraw/zinc/38/43/65/159384365.db2.gz RIFCYUIFRKOBFI-UHFFFAOYSA-N 2 0 334.464 2.337 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237508881 160222206 /nfs/dbraw/zinc/22/22/06/160222206.db2.gz KJFUQKAKYGXXMA-KRWDZBQOSA-N 2 0 329.488 2.298 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000246215378 160268258 /nfs/dbraw/zinc/26/82/58/160268258.db2.gz YZRZDAOFQRVOAQ-HUUCEWRRSA-N 2 0 339.505 2.105 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247980010 160334761 /nfs/dbraw/zinc/33/47/61/160334761.db2.gz HHGKGKGWWNOGTN-YSHGAJCASA-N 2 0 344.503 2.413 10 0 EEAERP COc1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248147701 160339123 /nfs/dbraw/zinc/33/91/23/160339123.db2.gz QJDXFFDEMJKFBK-PKOBYXMFSA-N 2 0 345.487 2.070 10 0 EEAERP CC(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248410535 160344841 /nfs/dbraw/zinc/34/48/41/160344841.db2.gz YBQVNPKKVURKGR-VAMGGRTRSA-N 2 0 329.488 2.403 10 0 EEAERP CN1CC[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082181 162061368 /nfs/dbraw/zinc/06/13/68/162061368.db2.gz IGGQTJGNWLXJTI-KURKYZTESA-N 2 0 337.895 2.130 10 0 EEAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000352885008 162330531 /nfs/dbraw/zinc/33/05/31/162330531.db2.gz VFDWNECPWVJVND-HXUWFJFHSA-N 2 0 337.552 2.418 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000369952803 166364406 /nfs/dbraw/zinc/36/44/06/166364406.db2.gz VDKRJFLGVPFAQW-MRXNPFEDSA-N 2 0 332.492 2.453 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000369991437 166371048 /nfs/dbraw/zinc/37/10/48/166371048.db2.gz QURKOZXBIFLGAA-KRWDZBQOSA-N 2 0 344.503 2.387 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000376786789 167393324 /nfs/dbraw/zinc/39/33/24/167393324.db2.gz HRTSMIBPRAAVOE-INIZCTEOSA-N 2 0 348.516 2.375 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272666630 269005771 /nfs/dbraw/zinc/00/57/71/269005771.db2.gz OCGPZKNENYPNBA-SFHVURJKSA-N 2 0 346.519 2.190 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000368442056 279310140 /nfs/dbraw/zinc/31/01/40/279310140.db2.gz NPTQGJODELPBBG-KNXWPPODSA-N 2 0 336.524 2.423 10 0 EEAERP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346520351 280047191 /nfs/dbraw/zinc/04/71/91/280047191.db2.gz BKQCUYHEPDYWQG-IAGOWNOFSA-N 2 0 339.549 2.383 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423008430 293097312 /nfs/dbraw/zinc/09/73/12/293097312.db2.gz AERIXAPACDKXJO-GVDBMIGSSA-N 2 0 325.884 2.429 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297421739 294240238 /nfs/dbraw/zinc/24/02/38/294240238.db2.gz ZCMDWFBMMCTCDO-OWCLPIDISA-N 2 0 343.475 2.500 10 0 EEAERP COc1ccc([C@H](N[C@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423468402 295246315 /nfs/dbraw/zinc/24/63/15/295246315.db2.gz BXAOMUAXVRFGGY-JYJNAYRXSA-N 2 0 325.403 2.075 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000414736659 313072399 /nfs/dbraw/zinc/07/23/99/313072399.db2.gz NGHXVYASSLTJFL-INIZCTEOSA-N 2 0 345.491 2.044 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000414737343 313073477 /nfs/dbraw/zinc/07/34/77/313073477.db2.gz NZUORSOKYUINJA-KRWDZBQOSA-N 2 0 347.507 2.323 10 0 EEAERP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416872276 313342892 /nfs/dbraw/zinc/34/28/92/313342892.db2.gz LVNYZGRUHDAZKH-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416874803 313344563 /nfs/dbraw/zinc/34/45/63/313344563.db2.gz PYQVOKGAWHCYSI-MOPGFXCFSA-N 2 0 342.487 2.176 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416881881 313346486 /nfs/dbraw/zinc/34/64/86/313346486.db2.gz ABSHJNVVBVNIAA-YJBOKZPZSA-N 2 0 330.476 2.161 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416883542 313347497 /nfs/dbraw/zinc/34/74/97/313347497.db2.gz JQOKMOMDKOKBLC-CHWSQXEVSA-N 2 0 338.883 2.339 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416966964 313374921 /nfs/dbraw/zinc/37/49/21/313374921.db2.gz GGVXKNOEIQGLPC-MOPGFXCFSA-N 2 0 344.503 2.420 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000416981888 313382449 /nfs/dbraw/zinc/38/24/49/313382449.db2.gz LRHOWODLMHMLPK-GOSISDBHSA-N 2 0 332.492 2.470 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418586496 313853700 /nfs/dbraw/zinc/85/37/00/313853700.db2.gz FQWCCDRCIOVFES-KURKYZTESA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)CN1CC[NH+](C)CC1 ZINC000440341996 315124586 /nfs/dbraw/zinc/12/45/86/315124586.db2.gz NQFXBUFMYYAPPA-OAHLLOKOSA-N 2 0 345.516 2.178 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015814 317303489 /nfs/dbraw/zinc/30/34/89/317303489.db2.gz YYOCZCWELDAMLH-CJNGLKHVSA-N 2 0 337.489 2.002 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715483 318167937 /nfs/dbraw/zinc/16/79/37/318167937.db2.gz OACQUSDHIQNLQE-IXDOHACOSA-N 2 0 332.492 2.391 10 0 EEAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563577876 319024501 /nfs/dbraw/zinc/02/45/01/319024501.db2.gz GYZZBPYLKZNJAS-HKUYNNGSSA-N 2 0 336.524 2.426 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000563585247 319025765 /nfs/dbraw/zinc/02/57/65/319025765.db2.gz DXNDGRHPYJWZJP-HKUYNNGSSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000565492217 319188150 /nfs/dbraw/zinc/18/81/50/319188150.db2.gz KMTOXTGPPMILHC-KRWDZBQOSA-N 2 0 344.503 2.488 10 0 EEAERP O=C(C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CC[NH2+]CC1 ZINC000567579836 319392810 /nfs/dbraw/zinc/39/28/10/319392810.db2.gz KLMKMLQCPJUITK-IBGZPJMESA-N 2 0 341.430 2.131 10 0 EEAERP COc1cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1C ZINC000573411623 319931289 /nfs/dbraw/zinc/93/12/89/319931289.db2.gz ZDSXVBBIEVHAQL-KRWDZBQOSA-N 2 0 335.492 2.186 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000575354395 320103052 /nfs/dbraw/zinc/10/30/52/320103052.db2.gz MATJXLKVVQHRIN-POAQFYNOSA-N 2 0 344.503 2.420 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)CC[N@@H+]2C2CC2)c1 ZINC000576416542 320170228 /nfs/dbraw/zinc/17/02/28/320170228.db2.gz CGGIRWFMIZZDSZ-ATZDWAIDSA-N 2 0 343.471 2.041 10 0 EEAERP COc1cc(F)c(C[NH2+]CCCC[NH+]2CCOCC2)cc1OC ZINC000577616747 320266181 /nfs/dbraw/zinc/26/61/81/320266181.db2.gz CBNUBQBZIWTORW-UHFFFAOYSA-N 2 0 326.412 2.045 10 0 EEAERP CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000579569506 323881811 /nfs/dbraw/zinc/88/18/11/323881811.db2.gz YFQZKWSKHBZCBW-UHFFFAOYSA-N 2 0 334.439 2.467 10 0 EEAERP CN(C(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347903162 465299275 /nfs/dbraw/zinc/29/92/75/465299275.db2.gz WOGGYWGINNHFMS-RTBURBONSA-N 2 0 327.472 2.346 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)CC(C)(C)C)C1 ZINC000077183433 462948722 /nfs/dbraw/zinc/94/87/22/462948722.db2.gz JPQSWUMSAVAQTH-INIZCTEOSA-N 2 0 341.540 2.264 10 0 EEAERP Cc1cc(C)c(S(=O)(=O)N(CCCC[NH3+])CCCC[NH3+])c(C)c1 ZINC000039159102 463448530 /nfs/dbraw/zinc/44/85/30/463448530.db2.gz DQMLUDPVGNPMIB-UHFFFAOYSA-N 2 0 341.521 2.080 10 0 EEAERP COc1ccccc1NC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261923288 463901606 /nfs/dbraw/zinc/90/16/06/463901606.db2.gz BVEQWVUFSNJVDK-IBGZPJMESA-N 2 0 331.460 2.345 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000262104765 463948205 /nfs/dbraw/zinc/94/82/05/463948205.db2.gz VVMBUNDILFJNLH-FQEVSTJZSA-N 2 0 329.488 2.323 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000568812472 468389064 /nfs/dbraw/zinc/38/90/64/468389064.db2.gz QEJRFIJUMUJNSP-CGTJXYLNSA-N 2 0 332.492 2.460 10 0 EEAERP C[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000568847619 468395605 /nfs/dbraw/zinc/39/56/05/468395605.db2.gz AHOLBGOSNBOGPU-YJBOKZPZSA-N 2 0 329.488 2.347 10 0 EEAERP COc1ccc([C@@H]2[C@H](CNC(=O)C3CC[NH2+]CC3)CCC[N@@H+]2C)cc1 ZINC000237304588 464300141 /nfs/dbraw/zinc/30/01/41/464300141.db2.gz FDFHIIMQVFKPLH-PKOBYXMFSA-N 2 0 345.487 2.194 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000246132308 464549563 /nfs/dbraw/zinc/54/95/63/464549563.db2.gz AAFIUOPZLDXTTI-KFWWJZLASA-N 2 0 338.521 2.379 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000246181020 464555235 /nfs/dbraw/zinc/55/52/35/464555235.db2.gz LTXRMCGLLYDPIM-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246455248 464586951 /nfs/dbraw/zinc/58/69/51/464586951.db2.gz OUHTXYLBXSBXHY-BDXSIMOUSA-N 2 0 338.540 2.479 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248709270 464790988 /nfs/dbraw/zinc/79/09/88/464790988.db2.gz PPAVNMFXBDJRGE-ROUUACIJSA-N 2 0 332.492 2.415 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000276091602 464806090 /nfs/dbraw/zinc/80/60/90/464806090.db2.gz KJADAANUTQIMKQ-SFHVURJKSA-N 2 0 334.508 2.143 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC000339533971 465327197 /nfs/dbraw/zinc/32/71/97/465327197.db2.gz NZWLGNFGHAZKER-SFHVURJKSA-N 2 0 335.411 2.282 10 0 EEAERP Cc1ccc([C@@H](Cn2ccnc2)NC(=O)NCC[NH+]2CCC2)c(C)c1 ZINC000337732654 465546000 /nfs/dbraw/zinc/54/60/00/465546000.db2.gz YEWVXQQSYFBGNH-GOSISDBHSA-N 2 0 341.459 2.246 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000339939490 465618911 /nfs/dbraw/zinc/61/89/11/465618911.db2.gz CPSJNPRWGOKXQG-AEFFLSMTSA-N 2 0 334.508 2.189 10 0 EEAERP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)CN1 ZINC000346168511 465955740 /nfs/dbraw/zinc/95/57/40/465955740.db2.gz LHYJZRLAPYYVEJ-CZUORRHYSA-N 2 0 330.457 2.424 10 0 EEAERP C[C@@]1(CNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000569323379 468472470 /nfs/dbraw/zinc/47/24/70/468472470.db2.gz OTJHVUDIDCGTRA-ZIFCJYIRSA-N 2 0 348.466 2.042 10 0 EEAERP CN(c1ccccc1C[N@@H+]1C[C@H](O)C2(CC2)C1)C1CC[NH+](C)CC1 ZINC000372358680 466326133 /nfs/dbraw/zinc/32/61/33/466326133.db2.gz SPVPNTXXXXIJMQ-IBGZPJMESA-N 2 0 329.488 2.174 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000354016185 466329556 /nfs/dbraw/zinc/32/95/56/466329556.db2.gz XBTDXRHZMAKOID-UHFFFAOYSA-N 2 0 336.524 2.423 10 0 EEAERP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367612804 466448968 /nfs/dbraw/zinc/44/89/68/466448968.db2.gz BBECGVUOGKRHNO-RCCFBDPRSA-N 2 0 336.501 2.443 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367619999 466453865 /nfs/dbraw/zinc/45/38/65/466453865.db2.gz XNQPMKOMESEMQA-WJFTUGDTSA-N 2 0 334.460 2.200 10 0 EEAERP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367620577 466454454 /nfs/dbraw/zinc/45/44/54/466454454.db2.gz DAHJXPPZSGAQAO-QRVBRYPASA-N 2 0 345.487 2.116 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(=O)NCC[NH+](C)C ZINC000347226151 466492362 /nfs/dbraw/zinc/49/23/62/466492362.db2.gz MEYBUZSSQWTGQC-ROUUACIJSA-N 2 0 335.467 2.495 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423281281 466708711 /nfs/dbraw/zinc/70/87/11/466708711.db2.gz UCDJAHSMYWCNEY-YRGRVCCFSA-N 2 0 342.281 2.106 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423281278 466709244 /nfs/dbraw/zinc/70/92/44/466709244.db2.gz UCDJAHSMYWCNEY-BZPMIXESSA-N 2 0 342.281 2.106 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)N1CC[NH2+]CC1 ZINC000423385432 466734761 /nfs/dbraw/zinc/73/47/61/466734761.db2.gz KQGPIAFAYRIWTQ-JONQDZQNSA-N 2 0 349.441 2.007 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662485799 472125022 /nfs/dbraw/zinc/12/50/22/472125022.db2.gz JTLSMCUSSRBEPU-APWZRJJASA-N 2 0 327.472 2.411 10 0 EEAERP C[C@@H](C[NH3+])CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417590231 466889282 /nfs/dbraw/zinc/88/92/82/466889282.db2.gz WBPJVIHKWBYAFH-MIGBEJBISA-N 2 0 330.476 2.076 10 0 EEAERP C[NH2+]CCCNC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417678519 466905987 /nfs/dbraw/zinc/90/59/87/466905987.db2.gz GSGWQRRKMBRMAP-GOSISDBHSA-N 2 0 346.519 2.368 10 0 EEAERP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000417870625 466964794 /nfs/dbraw/zinc/96/47/94/466964794.db2.gz IWWJWNPMJIZCKI-KANFNMMFSA-N 2 0 342.487 2.185 10 0 EEAERP CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417931123 466990567 /nfs/dbraw/zinc/99/05/67/466990567.db2.gz BOIDKJFGDHXNPC-RCCFBDPRSA-N 2 0 330.476 2.215 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418583509 467131811 /nfs/dbraw/zinc/13/18/11/467131811.db2.gz AYOFYEDJAZSYPG-ZIFCJYIRSA-N 2 0 344.503 2.290 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414746315 467433154 /nfs/dbraw/zinc/43/31/54/467433154.db2.gz YYTHRDKFOUWIEU-HZPDHXFCSA-N 2 0 345.491 2.220 10 0 EEAERP CCN1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000453369767 467483519 /nfs/dbraw/zinc/48/35/19/467483519.db2.gz STDMCNPWWYEISY-CADBVGFASA-N 2 0 327.472 2.392 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000516876086 468052611 /nfs/dbraw/zinc/05/26/11/468052611.db2.gz MPRXIVAUECRNGN-DJIMGWMZSA-N 2 0 339.549 2.145 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(O)Cc3ccccc3C2)[C@H](C)C1 ZINC000532234029 468104996 /nfs/dbraw/zinc/10/49/96/468104996.db2.gz VROUBISZGGPKPT-XLIONFOSSA-N 2 0 346.515 2.243 10 0 EEAERP COC(=O)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000600754434 468650069 /nfs/dbraw/zinc/65/00/69/468650069.db2.gz FKYCDDBNRZSPRF-SFHVURJKSA-N 2 0 332.444 2.064 10 0 EEAERP COc1ccccc1[C@@H](C)N(C)C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150258 469183408 /nfs/dbraw/zinc/18/34/08/469183408.db2.gz LTRHXJHNUWLVCQ-OXQOHEQNSA-N 2 0 345.487 2.290 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000629402699 469531622 /nfs/dbraw/zinc/53/16/22/469531622.db2.gz DCMMPGOBTDQCML-LLVKDONJSA-N 2 0 333.245 2.345 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000617007541 469568775 /nfs/dbraw/zinc/56/87/75/469568775.db2.gz VKZALZMOOJZKBG-CVEARBPZSA-N 2 0 339.549 2.193 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629538455 469574680 /nfs/dbraw/zinc/57/46/80/469574680.db2.gz MZUGUJPWHPCWEJ-XUVXKRRUSA-N 3 0 331.504 2.385 10 0 EEAERP c1ccc2c(c1)C=C(C[NH2+]C1CCC([NH+]3CCNCC3)CC1)CO2 ZINC000629648559 469598142 /nfs/dbraw/zinc/59/81/42/469598142.db2.gz QQTDSRMFDCWMBD-UHFFFAOYSA-N 2 0 327.472 2.268 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629656401 469600506 /nfs/dbraw/zinc/60/05/06/469600506.db2.gz OGRFISZJNJTZDF-WDEREUQCSA-N 2 0 328.254 2.330 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623402545 469644796 /nfs/dbraw/zinc/64/47/96/469644796.db2.gz OPHFIRSZLOXKOO-INIZCTEOSA-N 2 0 347.503 2.210 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428775 469653857 /nfs/dbraw/zinc/65/38/57/469653857.db2.gz ZZPUJIWTHHPKKV-UFYCRDLUSA-N 2 0 345.531 2.332 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000626933746 469760728 /nfs/dbraw/zinc/76/07/28/469760728.db2.gz YUPTZBROXUECQS-CRAIPNDOSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000626941893 469763545 /nfs/dbraw/zinc/76/35/45/469763545.db2.gz GQOGFOGRWFRULQ-KSSFIOAISA-N 2 0 348.466 2.230 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[NH2+]1 ZINC000626992250 469780537 /nfs/dbraw/zinc/78/05/37/469780537.db2.gz RQVUKNHVMDRYBE-WQVCFCJDSA-N 2 0 338.883 2.382 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000627033417 469796994 /nfs/dbraw/zinc/79/69/94/469796994.db2.gz IZUPUCSEWWCTDV-CVYDXHPNSA-N 2 0 332.492 2.426 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000627048880 469801302 /nfs/dbraw/zinc/80/13/02/469801302.db2.gz LQGIZQUICHDDFK-ZWKOTPCHSA-N 2 0 344.503 2.481 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627048178 469801671 /nfs/dbraw/zinc/80/16/71/469801671.db2.gz UOWAXXVRGOZMHH-YTQUADARSA-N 2 0 336.524 2.138 10 0 EEAERP C[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)CC1(C)C ZINC000623942481 469801714 /nfs/dbraw/zinc/80/17/14/469801714.db2.gz KVRCAHHBDPXJSB-MSOLQXFVSA-N 2 0 344.503 2.421 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627082386 469809162 /nfs/dbraw/zinc/80/91/62/469809162.db2.gz DEUNFUHOVJGHEY-KSZLIROESA-N 2 0 326.444 2.279 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC000627195882 469840689 /nfs/dbraw/zinc/84/06/89/469840689.db2.gz FQFFWEIXQJFXEZ-FGTMMUONSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000608648482 469852748 /nfs/dbraw/zinc/85/27/48/469852748.db2.gz VHIFQLHFIVZJNQ-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627240253 469853316 /nfs/dbraw/zinc/85/33/16/469853316.db2.gz NQGANXSYVWODTK-QXAKKESOSA-N 2 0 344.503 2.290 10 0 EEAERP Cn1c2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc2oc1=O ZINC000628460403 470108097 /nfs/dbraw/zinc/10/80/97/470108097.db2.gz VGOQEJMUBALLIM-UHFFFAOYSA-N 2 0 338.411 2.285 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631769819 470182479 /nfs/dbraw/zinc/18/24/79/470182479.db2.gz PPVPQMYUJFHJGO-OQIJWPOYSA-N 2 0 329.488 2.496 10 0 EEAERP Cc1cc(NC(=O)[C@H]2CCC[NH+]2C)cc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000633910442 470630689 /nfs/dbraw/zinc/63/06/89/470630689.db2.gz CPCQKBODXAKVHB-IAGOWNOFSA-N 2 0 344.459 2.060 10 0 EEAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764575 470960963 /nfs/dbraw/zinc/96/09/63/470960963.db2.gz DLZHBXNAGLKUNO-JCGIZDLHSA-N 2 0 325.456 2.311 10 0 EEAERP C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899124 471010766 /nfs/dbraw/zinc/01/07/66/471010766.db2.gz AEDDHPUYDOPHBQ-INMHGKMJSA-N 2 0 335.517 2.259 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH2+]C ZINC000652288161 471267465 /nfs/dbraw/zinc/26/74/65/471267465.db2.gz XOFNLHWXDDCANB-MSOLQXFVSA-N 2 0 330.476 2.174 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000652617038 471314766 /nfs/dbraw/zinc/31/47/66/471314766.db2.gz NJIQTISVCNXAOQ-AWEZNQCLSA-N 2 0 328.420 2.215 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)Cc1ccccc1 ZINC000660451872 471350086 /nfs/dbraw/zinc/35/00/86/471350086.db2.gz KCAGRYUWRNAWPE-QGZVFWFLSA-N 2 0 332.492 2.290 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+](C)C)cc1 ZINC000663447094 471382115 /nfs/dbraw/zinc/38/21/15/471382115.db2.gz CDXPKHRLPUQZIG-GOSISDBHSA-N 2 0 332.492 2.055 10 0 EEAERP COc1ccc(F)cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000666501761 471426292 /nfs/dbraw/zinc/42/62/92/471426292.db2.gz JDJHKONPZJPEQB-ZDUSSCGKSA-N 2 0 340.443 2.228 10 0 EEAERP CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663633269 471455578 /nfs/dbraw/zinc/45/55/78/471455578.db2.gz DFBPXWHBONASRG-KSZLIROESA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CS1 ZINC000655720789 471456031 /nfs/dbraw/zinc/45/60/31/471456031.db2.gz GKONICNJOCNPLT-HOCLYGCPSA-N 2 0 341.565 2.487 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000658994558 471461867 /nfs/dbraw/zinc/46/18/67/471461867.db2.gz RPARMMCUYHDNHX-UHFFFAOYSA-N 2 0 346.475 2.281 10 0 EEAERP CC1CC[NH+](CCNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659030035 471473649 /nfs/dbraw/zinc/47/36/49/471473649.db2.gz FVQDLXAIJRSQHS-SFHVURJKSA-N 2 0 346.475 2.201 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659045018 471487048 /nfs/dbraw/zinc/48/70/48/471487048.db2.gz UHVRMAVMQINCRX-CRAIPNDOSA-N 2 0 346.475 2.296 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659047360 471488204 /nfs/dbraw/zinc/48/82/04/471488204.db2.gz RUFOJBJNWMUWBW-SFHVURJKSA-N 2 0 346.475 2.297 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653118286 471497641 /nfs/dbraw/zinc/49/76/41/471497641.db2.gz HROAATXENJOVBW-QZTJIDSGSA-N 2 0 331.460 2.486 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)NC/C=C\C[NH3+])CCCC1)c1ccccc1 ZINC000669479727 471513288 /nfs/dbraw/zinc/51/32/88/471513288.db2.gz QUQZMHIWPIIZPY-XITLMJRVSA-N 2 0 330.476 2.464 10 0 EEAERP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@H+](CC)C1 ZINC000666927100 471591183 /nfs/dbraw/zinc/59/11/83/471591183.db2.gz GBNKPOBCIZJTGZ-INIZCTEOSA-N 2 0 348.495 2.098 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659452232 471633979 /nfs/dbraw/zinc/63/39/79/471633979.db2.gz ZGODLBGJVXOVCK-RBUKOAKNSA-N 2 0 346.519 2.224 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659465686 471640778 /nfs/dbraw/zinc/64/07/78/471640778.db2.gz QPEKSPBZIRDTKC-BZZMCLGOSA-N 2 0 348.466 2.120 10 0 EEAERP C[C@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659465691 471640984 /nfs/dbraw/zinc/64/09/84/471640984.db2.gz QPEKSPBZIRDTKC-DZOHQFGASA-N 2 0 348.466 2.120 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000659468667 471642329 /nfs/dbraw/zinc/64/23/29/471642329.db2.gz DCFAQXDFDYPUPT-BPQIPLTHSA-N 2 0 332.492 2.322 10 0 EEAERP CC(C)c1scnc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000667109253 471656910 /nfs/dbraw/zinc/65/69/10/471656910.db2.gz XGKFIHJQHUPXNG-UHFFFAOYSA-N 2 0 327.498 2.272 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576692 471684186 /nfs/dbraw/zinc/68/41/86/471684186.db2.gz JOWMEVIHRBPQMQ-GUDVDZBRSA-N 2 0 344.503 2.258 10 0 EEAERP [NH3+][C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659612421 471699887 /nfs/dbraw/zinc/69/98/87/471699887.db2.gz VBUKKYZXKDBJPL-ROUUACIJSA-N 2 0 342.487 2.031 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000661351042 471724722 /nfs/dbraw/zinc/72/47/22/471724722.db2.gz JFIYAHLSBPELAT-SFHVURJKSA-N 2 0 338.540 2.386 10 0 EEAERP CN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000667331186 471742050 /nfs/dbraw/zinc/74/20/50/471742050.db2.gz WEIJRVLWAWRSQW-MOPGFXCFSA-N 2 0 342.487 2.139 10 0 EEAERP CCCCN(Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCS(=O)(=O)C1 ZINC000667475452 471791144 /nfs/dbraw/zinc/79/11/44/471791144.db2.gz QJKXLILBLPZZHL-KRWDZBQOSA-N 2 0 348.472 2.057 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CC(C)(C)CC(C)(C)C2)CC1 ZINC000656706338 471814392 /nfs/dbraw/zinc/81/43/92/471814392.db2.gz CKMYKEBKQLMDFG-QGZVFWFLSA-N 2 0 325.541 2.037 10 0 EEAERP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000661881316 471911824 /nfs/dbraw/zinc/91/18/24/471911824.db2.gz USJIJXDYAWNSPO-APWZRJJASA-N 2 0 349.519 2.011 10 0 EEAERP C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000660275865 471924896 /nfs/dbraw/zinc/92/48/96/471924896.db2.gz HABBOTGXHIPVIE-OAHLLOKOSA-N 2 0 329.448 2.302 10 0 EEAERP C[C@@H](CC[NH+]1CC[C@@H]2COC[C@@H]2C1)CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030275 471963019 /nfs/dbraw/zinc/96/30/19/471963019.db2.gz MWWQQHDQUQELOG-YCKXBTPASA-N 2 0 336.520 2.339 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000665288921 471990696 /nfs/dbraw/zinc/99/06/96/471990696.db2.gz AWROYEHUMMGHFV-WBVHZDCISA-N 2 0 327.488 2.485 10 0 EEAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662537222 472144207 /nfs/dbraw/zinc/14/42/07/472144207.db2.gz XZLYFWCUFQHPMD-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000662685222 472205118 /nfs/dbraw/zinc/20/51/18/472205118.db2.gz QFHWATYVOITRHJ-OAHLLOKOSA-N 2 0 342.443 2.263 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC[NH2+]CC1 ZINC000662710232 472217309 /nfs/dbraw/zinc/21/73/09/472217309.db2.gz GBGYQUFYTJKODP-LJQANCHMSA-N 2 0 341.499 2.405 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662788068 472252047 /nfs/dbraw/zinc/25/20/47/472252047.db2.gz IVKBCWUSINTKIT-UHFFFAOYSA-N 2 0 348.422 2.212 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678764209 485495823 /nfs/dbraw/zinc/49/58/23/485495823.db2.gz NNXPRUPLISYUET-OAHLLOKOSA-N 2 0 340.431 2.217 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770526 485524712 /nfs/dbraw/zinc/52/47/12/485524712.db2.gz CEFUIPQUFPHRJF-JKSUJKDBSA-N 2 0 338.883 2.336 10 0 EEAERP C[C@@H]1C[C@H](N[C@@]2(CO)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042439 485573280 /nfs/dbraw/zinc/57/32/80/485573280.db2.gz BNGOKTZMYITGOK-RLLQIKCJSA-N 2 0 331.504 2.086 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000624394407 485675371 /nfs/dbraw/zinc/67/53/71/485675371.db2.gz DGDCGWIZRQVBRC-IBGZPJMESA-N 2 0 348.535 2.425 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000674410133 485727849 /nfs/dbraw/zinc/72/78/49/485727849.db2.gz NYMWDDHDFSBGEO-ZWKOTPCHSA-N 2 0 342.487 2.349 10 0 EEAERP C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C[NH+](C)C ZINC000675262897 485941481 /nfs/dbraw/zinc/94/14/81/485941481.db2.gz KTQISCXFAXHKQH-CYBMUJFWSA-N 2 0 330.436 2.365 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566032 486147170 /nfs/dbraw/zinc/14/71/70/486147170.db2.gz JPRMCMPKVUQFQV-PXNSSMCTSA-N 2 0 331.504 2.038 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000681317186 486208885 /nfs/dbraw/zinc/20/88/85/486208885.db2.gz LIJAELNKTVDCBV-MOPGFXCFSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)CC1 ZINC000682733318 486547494 /nfs/dbraw/zinc/54/74/94/486547494.db2.gz WJHKTERACFTRAY-QGZVKYPTSA-N 2 0 335.536 2.340 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000191503813 529041584 /nfs/dbraw/zinc/04/15/84/529041584.db2.gz VCLYSNZENWAFCF-IBGZPJMESA-N 2 0 345.535 2.232 10 0 EEAERP CCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165947646 682454096 /nfs/dbraw/zinc/45/40/96/682454096.db2.gz LSNKBLOJLABGMA-IEZWGBDMSA-N 2 0 333.451 2.372 10 0 EEAERP OC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H]1CCCOC1 ZINC000894994764 683455700 /nfs/dbraw/zinc/45/57/00/683455700.db2.gz VAAYEMAGOXFZIN-WHZJULEDSA-N 2 0 344.499 2.417 10 0 EEAERP CC1(C)[C@H]([NH2+]CCn2cc(Br)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670624 684805436 /nfs/dbraw/zinc/80/54/36/684805436.db2.gz MISDKEZTDQZMFV-FRRDWIJNSA-N 2 0 327.270 2.012 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(F)c1Cl ZINC000896625179 685124666 /nfs/dbraw/zinc/12/46/66/685124666.db2.gz WIZXOYBRWKAERH-UHFFFAOYSA-N 2 0 344.862 2.220 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cn1 ZINC000896637473 685145074 /nfs/dbraw/zinc/14/50/74/685145074.db2.gz RPYRGDRGOXDRTF-UHFFFAOYSA-N 2 0 340.471 2.142 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccns1 ZINC000925232305 688001078 /nfs/dbraw/zinc/00/10/78/688001078.db2.gz IMHQXGMRWPMYQI-CYBMUJFWSA-N 2 0 338.521 2.420 10 0 EEAERP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000872036184 688532698 /nfs/dbraw/zinc/53/26/98/688532698.db2.gz SRPPKJNDLGVHPU-CABCVRRESA-N 2 0 337.430 2.104 10 0 EEAERP Cc1cc(C)cc(OCC[NH+]2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001485521228 1191824462 /nfs/dbraw/zinc/82/44/62/1191824462.db2.gz AIGYMPGGBNANJY-KRWDZBQOSA-N 2 0 347.503 2.070 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001485666796 1191887035 /nfs/dbraw/zinc/88/70/35/1191887035.db2.gz VHGYYTYOVBFHEJ-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CCOCC[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001485760423 1191927967 /nfs/dbraw/zinc/92/79/67/1191927967.db2.gz KSTVSTNSBATWII-UHFFFAOYSA-N 2 0 344.459 2.216 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccon1 ZINC001266247539 1176018220 /nfs/dbraw/zinc/01/82/20/1176018220.db2.gz NULBIDDCLAYRST-ROUUACIJSA-N 2 0 348.491 2.410 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccon1 ZINC001266247537 1176019920 /nfs/dbraw/zinc/01/99/20/1176019920.db2.gz NULBIDDCLAYRST-MSOLQXFVSA-N 2 0 348.491 2.410 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC001691025689 1176715922 /nfs/dbraw/zinc/71/59/22/1176715922.db2.gz BWLRFYORETWRTB-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001266602247 1176928204 /nfs/dbraw/zinc/92/82/04/1176928204.db2.gz ZHQCHEVNVVDNEL-GUDVDZBRSA-N 2 0 347.478 2.479 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(OC)c1)[NH+](C)C ZINC001266741328 1177332887 /nfs/dbraw/zinc/33/28/87/1177332887.db2.gz QNWIYQANASPONV-OAHLLOKOSA-N 2 0 341.883 2.237 10 0 EEAERP COCC[NH2+]C1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001266913030 1177787443 /nfs/dbraw/zinc/78/74/43/1177787443.db2.gz DQKOLCCWXASJTD-UHFFFAOYSA-N 2 0 347.503 2.068 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001267039850 1178135972 /nfs/dbraw/zinc/13/59/72/1178135972.db2.gz YXOWTENYPTYFLG-UONOGXRCSA-N 2 0 335.414 2.250 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267087601 1178213224 /nfs/dbraw/zinc/21/32/24/1178213224.db2.gz UGYMTGAPLOYCSX-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)n1 ZINC001267109567 1178265827 /nfs/dbraw/zinc/26/58/27/1178265827.db2.gz ISQMLDOLFLMSKP-HOTGVXAUSA-N 2 0 332.492 2.119 10 0 EEAERP CC(C)COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001267354891 1178814709 /nfs/dbraw/zinc/81/47/09/1178814709.db2.gz BLNPTCRMTAWHCO-IBGZPJMESA-N 2 0 347.503 2.364 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCCC1CCOCC1 ZINC001480950842 1179110319 /nfs/dbraw/zinc/11/03/19/1179110319.db2.gz LUBDABFQOLDKBF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccn1 ZINC001267504315 1179202591 /nfs/dbraw/zinc/20/25/91/1179202591.db2.gz OSZIZIGZLOPFGJ-UHFFFAOYSA-N 2 0 344.503 2.427 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001481073492 1179684357 /nfs/dbraw/zinc/68/43/57/1179684357.db2.gz NJPODJZDVQOLKW-IBGZPJMESA-N 2 0 344.503 2.428 10 0 EEAERP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109003 1179759104 /nfs/dbraw/zinc/75/91/04/1179759104.db2.gz JHWJCZPVPSCBSM-UONOGXRCSA-N 2 0 339.430 2.416 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481215526 1180294114 /nfs/dbraw/zinc/29/41/14/1180294114.db2.gz KKKQAZICDZMEFN-OAHLLOKOSA-N 2 0 343.393 2.348 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)sn1 ZINC001481246083 1180436795 /nfs/dbraw/zinc/43/67/95/1180436795.db2.gz PGPDNQRVNORKOJ-HOCLYGCPSA-N 2 0 336.505 2.016 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOc1cccc(C)c1 ZINC001267804248 1180555244 /nfs/dbraw/zinc/55/52/44/1180555244.db2.gz GWBRMJNWUUZCRY-ZHALLVOQSA-N 2 0 347.503 2.198 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)cc(C)c1 ZINC001267828965 1180598432 /nfs/dbraw/zinc/59/84/32/1180598432.db2.gz KLYQDZWPQSCACJ-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ncccc2C)C1)[NH+](C)C ZINC001267887562 1180691920 /nfs/dbraw/zinc/69/19/20/1180691920.db2.gz MFGFBLGCNFXDAN-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001267919208 1180764968 /nfs/dbraw/zinc/76/49/68/1180764968.db2.gz SZKQUNAMIGZSDP-GOSISDBHSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1 ZINC001267932001 1180782932 /nfs/dbraw/zinc/78/29/32/1180782932.db2.gz KOYHNXXHNRSDMX-IYARVYRRSA-N 2 0 347.503 2.423 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268001363 1180954374 /nfs/dbraw/zinc/95/43/74/1180954374.db2.gz ANXWZNHHDPWPNX-XJKSGUPXSA-N 2 0 340.899 2.163 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001481301833 1180960823 /nfs/dbraw/zinc/96/08/23/1180960823.db2.gz DBQWCJGIBWTWHE-ZWKOTPCHSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001481344598 1181077964 /nfs/dbraw/zinc/07/79/64/1181077964.db2.gz ZLVBRANFDKPHRG-MRXNPFEDSA-N 2 0 332.492 2.139 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2cncs2)C1 ZINC001481503584 1181583851 /nfs/dbraw/zinc/58/38/51/1181583851.db2.gz IDLZPFGOSMYGDE-HNNXBMFYSA-N 2 0 338.521 2.155 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001268155260 1181852937 /nfs/dbraw/zinc/85/29/37/1181852937.db2.gz VDFYSMGAGPZFNV-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccn1 ZINC001268377716 1182395224 /nfs/dbraw/zinc/39/52/24/1182395224.db2.gz MOLQRZYWSCWOKD-WMZOPIPTSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379810 1182405481 /nfs/dbraw/zinc/40/54/81/1182405481.db2.gz WCMPRTXFIDOYCW-CRAIPNDOSA-N 2 0 335.467 2.337 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)ncn1 ZINC001268402309 1182499021 /nfs/dbraw/zinc/49/90/21/1182499021.db2.gz GIFQECQRNCTDTA-NVXWUHKLSA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001268427696 1182600120 /nfs/dbraw/zinc/60/01/20/1182600120.db2.gz ZHMISDSQYFDQNS-WMLDXEAASA-N 2 0 348.491 2.411 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481777766 1182678260 /nfs/dbraw/zinc/67/82/60/1182678260.db2.gz PXGHCUKRCQZSRT-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1ccc(C)nc1C ZINC001481814693 1182730784 /nfs/dbraw/zinc/73/07/84/1182730784.db2.gz ZNJGSKKUOPSALR-CEXWTWQISA-N 2 0 346.519 2.413 10 0 EEAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268479755 1182917761 /nfs/dbraw/zinc/91/77/61/1182917761.db2.gz SCLNTWPWPDJTNS-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCCCF)C1 ZINC001481972257 1183056396 /nfs/dbraw/zinc/05/63/96/1183056396.db2.gz KRHFBUANHIXKAR-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001481977431 1183067055 /nfs/dbraw/zinc/06/70/55/1183067055.db2.gz VJCYQEAFLBZFMK-MJGOQNOKSA-N 2 0 346.519 2.386 10 0 EEAERP CC[C@@H](F)C[NH2+]Cc1ccc(CNC(=O)Cc2[nH]cnc2C)cc1 ZINC001482035204 1183188763 /nfs/dbraw/zinc/18/87/63/1183188763.db2.gz SCRIDTACJMAHQU-MRXNPFEDSA-N 2 0 332.423 2.415 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001482167258 1183489441 /nfs/dbraw/zinc/48/94/41/1183489441.db2.gz CYJHRXFCVJDKTL-GDBMZVCRSA-N 2 0 337.895 2.176 10 0 EEAERP Cc1cccc(CCC[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268782853 1183700970 /nfs/dbraw/zinc/70/09/70/1183700970.db2.gz FSWVVIHMLKJUBV-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(Cl)s1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268803317 1183721118 /nfs/dbraw/zinc/72/11/18/1183721118.db2.gz ZHSRMGVIVVYEPM-GFCCVEGCSA-N 2 0 344.912 2.219 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F ZINC001268959360 1183844083 /nfs/dbraw/zinc/84/40/83/1183844083.db2.gz ZPXFXJBTMLXDEM-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCCC2)on1 ZINC001482221732 1184293729 /nfs/dbraw/zinc/29/37/29/1184293729.db2.gz PSVYNUITXNGRLZ-MRXNPFEDSA-N 2 0 348.491 2.376 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001269493562 1184315310 /nfs/dbraw/zinc/31/53/10/1184315310.db2.gz YAXJCCHZOOGBGJ-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncccc1C ZINC001482291571 1185122162 /nfs/dbraw/zinc/12/21/62/1185122162.db2.gz HFVDEKHLGISPCZ-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]C/C=C\c1ccccc1 ZINC001270516612 1185141709 /nfs/dbraw/zinc/14/17/09/1185141709.db2.gz FYTAEKNACBNWCP-QQSUMNJZSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001270719481 1185342103 /nfs/dbraw/zinc/34/21/03/1185342103.db2.gz XDSBRNHUIOOUSX-QFBILLFUSA-N 2 0 339.499 2.439 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001482364315 1185520045 /nfs/dbraw/zinc/52/00/45/1185520045.db2.gz GYZZFMDSOKDNIZ-MSOLQXFVSA-N 2 0 347.503 2.070 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482399343 1185616718 /nfs/dbraw/zinc/61/67/18/1185616718.db2.gz YIHTVLXCTNSYDA-STQMWFEESA-N 2 0 336.307 2.378 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC001691516579 1185619015 /nfs/dbraw/zinc/61/90/15/1185619015.db2.gz JNPXKBDMTJNQIU-UHFFFAOYSA-N 2 0 340.471 2.313 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406640 1185630343 /nfs/dbraw/zinc/63/03/43/1185630343.db2.gz NBNIZRHKSNWCKY-IAGOWNOFSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)co1 ZINC001482462619 1185932973 /nfs/dbraw/zinc/93/29/73/1185932973.db2.gz VHMHBPKTWKXXIG-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482468098 1185971834 /nfs/dbraw/zinc/97/18/34/1185971834.db2.gz IWLOZIWQENBMQQ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC[C@H](C)F ZINC001482542006 1186616606 /nfs/dbraw/zinc/61/66/06/1186616606.db2.gz LCOKFWVQMGIBGK-WMLDXEAASA-N 2 0 347.438 2.359 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554563 1186717215 /nfs/dbraw/zinc/71/72/15/1186717215.db2.gz VLWFEMFYZAZMMH-QFBILLFUSA-N 2 0 349.494 2.440 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001482569582 1186903508 /nfs/dbraw/zinc/90/35/08/1186903508.db2.gz CBATYCJMAOHCNJ-MOPGFXCFSA-N 2 0 331.504 2.220 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001482569583 1186903760 /nfs/dbraw/zinc/90/37/60/1186903760.db2.gz CBATYCJMAOHCNJ-OALUTQOASA-N 2 0 331.504 2.220 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1 ZINC001482570065 1186904194 /nfs/dbraw/zinc/90/41/94/1186904194.db2.gz JXWZITNPGKOFTP-RBUKOAKNSA-N 2 0 331.504 2.301 10 0 EEAERP C[C@@H](CC[NH2+]CCCC1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272781237 1193495772 /nfs/dbraw/zinc/49/57/72/1193495772.db2.gz GRKJFVXIIYLMEO-LZLYRXPVSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482696305 1187666543 /nfs/dbraw/zinc/66/65/43/1187666543.db2.gz VHVHFKONQDHODC-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001482840438 1187759448 /nfs/dbraw/zinc/75/94/48/1187759448.db2.gz VYKPZNWDDLPWFT-AWEZNQCLSA-N 2 0 336.480 2.267 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482846990 1187766084 /nfs/dbraw/zinc/76/60/84/1187766084.db2.gz NIVYSFFAZKFDBM-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001482930298 1187851269 /nfs/dbraw/zinc/85/12/69/1187851269.db2.gz GSSYFFFFFXUXLY-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954690 1187882197 /nfs/dbraw/zinc/88/21/97/1187882197.db2.gz LXHQRTIDBHRBAW-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001670937034 1193529573 /nfs/dbraw/zinc/52/95/73/1193529573.db2.gz DRSQFJLJMIZWRQ-FBVQUNGASA-N 2 0 337.508 2.009 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C(C)C)sn1 ZINC001483013307 1187997603 /nfs/dbraw/zinc/99/76/03/1187997603.db2.gz ZATVFVKALQCZEK-DWTRPJMMSA-N 2 0 336.505 2.086 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001483053053 1188296781 /nfs/dbraw/zinc/29/67/81/1188296781.db2.gz BLEHJQCLZGESIO-ZFDPJTLLSA-N 2 0 325.403 2.240 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001272838220 1193571352 /nfs/dbraw/zinc/57/13/52/1193571352.db2.gz SRFTUQQAKATUMX-NILFDRSVSA-N 2 0 348.397 2.476 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2cncc(F)c2)cn1 ZINC001272855794 1193578832 /nfs/dbraw/zinc/57/88/32/1193578832.db2.gz UGBPQGVTTJDBGJ-ZDUSSCGKSA-N 2 0 347.438 2.145 10 0 EEAERP Cc1ncc2n1CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)C2 ZINC001483167096 1189003567 /nfs/dbraw/zinc/00/35/67/1189003567.db2.gz TXAFLODENKUIKH-PBHICJAKSA-N 2 0 330.476 2.349 10 0 EEAERP C[C@@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483227650 1189512712 /nfs/dbraw/zinc/51/27/12/1189512712.db2.gz NXVLUQXOOFXTDA-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cncc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001409555162 1190029934 /nfs/dbraw/zinc/02/99/34/1190029934.db2.gz LPJGDEBJNMAOLR-AEFFLSMTSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1 ZINC001485945012 1193654178 /nfs/dbraw/zinc/65/41/78/1193654178.db2.gz SKVPTBFFIKYFDN-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1cc(CN(C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001409612667 1190104301 /nfs/dbraw/zinc/10/43/01/1190104301.db2.gz CLNJICPZUBCHOC-CQSZACIVSA-N 2 0 340.537 2.366 10 0 EEAERP Cc1conc1C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001409775319 1190434141 /nfs/dbraw/zinc/43/41/41/1190434141.db2.gz FISJYFRBIVBTEX-HNNXBMFYSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483402327 1190448147 /nfs/dbraw/zinc/44/81/47/1190448147.db2.gz GCIPCKXVNUTFMW-INIZCTEOSA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001483443365 1190482285 /nfs/dbraw/zinc/48/22/85/1190482285.db2.gz RIPDTOHIPMWXGW-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCc3cncn3C2)cc1 ZINC001483476962 1190499134 /nfs/dbraw/zinc/49/91/34/1190499134.db2.gz MDLXBXOCSMFQPM-SFHVURJKSA-N 2 0 340.471 2.392 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)CN1C(=O)CC[NH+](C)C ZINC001486120862 1193687483 /nfs/dbraw/zinc/68/74/83/1193687483.db2.gz FZPXYTWVJZBIFK-DZGCQCFKSA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1C[C@H]1CCOC1 ZINC001409832783 1190663468 /nfs/dbraw/zinc/66/34/68/1190663468.db2.gz HRCUUZQBUAYNHV-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272616597 1190931979 /nfs/dbraw/zinc/93/19/79/1190931979.db2.gz NVZFAEJMEOHYBU-DLBZAZTESA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001483812586 1191057640 /nfs/dbraw/zinc/05/76/40/1191057640.db2.gz NUYMVRNWEGBVSQ-MOPGFXCFSA-N 2 0 344.503 2.296 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)o1 ZINC001483915886 1191115186 /nfs/dbraw/zinc/11/51/86/1191115186.db2.gz JFANFSFOTTXFBZ-HOCLYGCPSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C[C@H]1C ZINC001483915583 1191115191 /nfs/dbraw/zinc/11/51/91/1191115191.db2.gz YCUFYLONBSEKLZ-ZBFHGGJFSA-N 2 0 348.491 2.361 10 0 EEAERP CCCCC[NH+]1CCC(C)(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001483971596 1191131950 /nfs/dbraw/zinc/13/19/50/1191131950.db2.gz KGOZDNRAPUWDAA-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001484007617 1191152403 /nfs/dbraw/zinc/15/24/03/1191152403.db2.gz YTUDBGIRBKPJHZ-UTHSDXRISA-N 2 0 327.900 2.488 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001484022556 1191160430 /nfs/dbraw/zinc/16/04/30/1191160430.db2.gz VUSDXZZRXUOQEY-SQNIBIBYSA-N 2 0 339.524 2.207 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001484376577 1191321000 /nfs/dbraw/zinc/32/10/00/1191321000.db2.gz HFRJZMVRUUCPSF-HOCLYGCPSA-N 2 0 337.895 2.476 10 0 EEAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001409916834 1191331661 /nfs/dbraw/zinc/33/16/61/1191331661.db2.gz MHKUUTCWFSRCSE-HNNXBMFYSA-N 2 0 333.520 2.345 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H](C)c1ccccc1 ZINC001484501801 1191385730 /nfs/dbraw/zinc/38/57/30/1191385730.db2.gz JRKUMVAINBUFAN-IEBWSBKVSA-N 2 0 347.503 2.033 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@@H](C)OC)CC2)CC[N@@H+]1C ZINC001484568402 1191421313 /nfs/dbraw/zinc/42/13/13/1191421313.db2.gz IDDHUKPKVGTQOW-HSFUPAIVSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)Cc1ccccn1 ZINC001484769485 1191512720 /nfs/dbraw/zinc/51/27/20/1191512720.db2.gz WDLSXBAHNJLJTA-IAGOWNOFSA-N 2 0 332.492 2.235 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001484817784 1191538647 /nfs/dbraw/zinc/53/86/47/1191538647.db2.gz PGVDEZLSALXNTB-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001484832205 1191546038 /nfs/dbraw/zinc/54/60/38/1191546038.db2.gz SPWWHGIJFODADG-IBGZPJMESA-N 2 0 348.491 2.003 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001484868719 1191555444 /nfs/dbraw/zinc/55/54/44/1191555444.db2.gz WMJDRLGELSBZEQ-QGZVFWFLSA-N 2 0 347.503 2.263 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001484902940 1191566028 /nfs/dbraw/zinc/56/60/28/1191566028.db2.gz GNUMDQBANNNULP-LPHOPBHVSA-N 2 0 347.503 2.223 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001484897396 1191567799 /nfs/dbraw/zinc/56/77/99/1191567799.db2.gz KVFAJCUATIKWKQ-GOEBONIOSA-N 2 0 344.459 2.106 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484971923 1191597191 /nfs/dbraw/zinc/59/71/91/1191597191.db2.gz JPZPGLOJGZTRLO-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001484992685 1191609273 /nfs/dbraw/zinc/60/92/73/1191609273.db2.gz PNFWTXRBWBPMJY-BBRMVZONSA-N 2 0 338.521 2.309 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001485096225 1191654253 /nfs/dbraw/zinc/65/42/53/1191654253.db2.gz SWUNNRVWJSXLOU-VMBOVVBDSA-N 2 0 335.517 2.259 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001485208256 1191694045 /nfs/dbraw/zinc/69/40/45/1191694045.db2.gz FQERXMRXSPUXTR-HUUCEWRRSA-N 2 0 327.513 2.016 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)n1 ZINC001485230399 1191699220 /nfs/dbraw/zinc/69/92/20/1191699220.db2.gz TVKSELPJBJDZDF-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001485237926 1191702088 /nfs/dbraw/zinc/70/20/88/1191702088.db2.gz WSHNJNXHPLGFSB-HTWSVDAQSA-N 2 0 337.508 2.009 10 0 EEAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCCN2CCOCC2)[C@@H]1C ZINC001486182781 1193719424 /nfs/dbraw/zinc/71/94/24/1193719424.db2.gz ZEYNPZNWCBITEH-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C2)CC[N@@H+]1C ZINC001486241597 1193767693 /nfs/dbraw/zinc/76/76/93/1193767693.db2.gz XTDOFCBNGQJEMW-MLRXNPTLSA-N 2 0 327.900 2.296 10 0 EEAERP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001486244501 1193770927 /nfs/dbraw/zinc/77/09/27/1193770927.db2.gz OSJCRBIKFWBCKG-QAPCUYQASA-N 2 0 347.503 2.223 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001486451391 1193966345 /nfs/dbraw/zinc/96/63/45/1193966345.db2.gz NLFKTQPSGDEGAC-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC[C@H](C)F)C2)CC1 ZINC001486480123 1193994328 /nfs/dbraw/zinc/99/43/28/1193994328.db2.gz MZLOIHKIUVQMKB-OOHWJJMZSA-N 2 0 327.488 2.434 10 0 EEAERP CC(C)(C(=O)NCC1=CC[N@H+](Cc2ccccn2)CC1)[NH+]1CCCC1 ZINC001486513663 1194032506 /nfs/dbraw/zinc/03/25/06/1194032506.db2.gz VYCOIYMNVMUZBB-UHFFFAOYSA-N 2 0 342.487 2.204 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001409950059 1194131863 /nfs/dbraw/zinc/13/18/63/1194131863.db2.gz SZDGYMXYGXLQQS-OAHLLOKOSA-N 2 0 329.488 2.452 10 0 EEAERP COc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)ccc1C ZINC001272954997 1194234339 /nfs/dbraw/zinc/23/43/39/1194234339.db2.gz NGHHXFJZFMKWFT-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001273098368 1194382700 /nfs/dbraw/zinc/38/27/00/1194382700.db2.gz JWUGYLLXYLXLRX-INIZCTEOSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001273113033 1194394927 /nfs/dbraw/zinc/39/49/27/1194394927.db2.gz ORHXRBBLFJNNKD-MRXNPFEDSA-N 2 0 344.503 2.188 10 0 EEAERP Cc1ncc(C[NH+]2C[C@@H]3CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]3C2)o1 ZINC001410189617 1197594638 /nfs/dbraw/zinc/59/46/38/1197594638.db2.gz PQADBYRVKZTSGM-YESZJQIVSA-N 2 0 348.491 2.040 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001410207722 1197607995 /nfs/dbraw/zinc/60/79/95/1197607995.db2.gz LENHPXOTXPJXJT-SAABIXHNSA-N 2 0 332.492 2.025 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC001410229341 1197619642 /nfs/dbraw/zinc/61/96/42/1197619642.db2.gz ITHOBRHEUKVPJW-RZDIXWSQSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001410499258 1198052489 /nfs/dbraw/zinc/05/24/89/1198052489.db2.gz CVUBPZCTNYOIET-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)CCCCCC[NH3+] ZINC000872155030 1198062061 /nfs/dbraw/zinc/06/20/61/1198062061.db2.gz KQTQCOFHDDSTTF-ZDUSSCGKSA-N 2 0 338.427 2.313 10 0 EEAERP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000872297529 1198134662 /nfs/dbraw/zinc/13/46/62/1198134662.db2.gz OUILEZXMCHDZMA-JMVFIXPQSA-N 2 0 343.471 2.076 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cnc3cc(Cl)ccc3n2)C[C@H]1C[NH+](C)C ZINC000866010556 1198453588 /nfs/dbraw/zinc/45/35/88/1198453588.db2.gz LPNJXFUMKQHYPG-ZIAGYGMSSA-N 2 0 347.894 2.459 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cnc(C)s2)[C@H]1C ZINC001411028990 1198708829 /nfs/dbraw/zinc/70/88/29/1198708829.db2.gz CCSXANOJQPFQEA-XJKSGUPXSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001411030175 1198709786 /nfs/dbraw/zinc/70/97/86/1198709786.db2.gz XDRMVCBXFZBFIT-CABCVRRESA-N 2 0 349.441 2.211 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2OC2CC2)C[C@H]1C[NH+](C)C ZINC000870018622 1200409884 /nfs/dbraw/zinc/40/98/84/1200409884.db2.gz UGAUFLJXPAJACO-HZPDHXFCSA-N 2 0 345.487 2.039 10 0 EEAERP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870942238 1200969488 /nfs/dbraw/zinc/96/94/88/1200969488.db2.gz JACAGQLGEYDAHZ-SMDDNHRTSA-N 2 0 340.265 2.036 10 0 EEAERP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@H+](CC(C)(C)O)C3)CC2)C1 ZINC000866414553 1201511750 /nfs/dbraw/zinc/51/17/50/1201511750.db2.gz PQAKTPAMOXXBMX-NEWSRXKRSA-N 2 0 337.552 2.464 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000868121933 1201747968 /nfs/dbraw/zinc/74/79/68/1201747968.db2.gz UVROICHCMMNDNE-ROUUACIJSA-N 2 0 346.475 2.375 10 0 EEAERP C[NH2+]Cc1ccccc1NC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000868164343 1201756074 /nfs/dbraw/zinc/75/60/74/1201756074.db2.gz WJZJLIPXCUCKFV-UHFFFAOYSA-N 2 0 348.491 2.228 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001274088136 1204364217 /nfs/dbraw/zinc/36/42/17/1204364217.db2.gz GEPZXXNYKPCZGD-QWNKOJSDSA-N 2 0 327.472 2.420 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001274368343 1205012069 /nfs/dbraw/zinc/01/20/69/1205012069.db2.gz LGZUTJHQDWDQDA-JNXQLMTMSA-N 2 0 333.451 2.491 10 0 EEAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCCOC(C)C)CC1)[NH+](C)C ZINC001274394186 1205019307 /nfs/dbraw/zinc/01/93/07/1205019307.db2.gz XMEKFGVDNCCKPF-MRXNPFEDSA-N 2 0 327.513 2.112 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001274506401 1205060828 /nfs/dbraw/zinc/06/08/28/1205060828.db2.gz AGVMGVQTGZAWSC-SHCNBLLESA-N 2 0 329.488 2.407 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1ccnc(Cl)c1 ZINC001275970720 1205610397 /nfs/dbraw/zinc/61/03/97/1205610397.db2.gz QQVFOBCVGSAPLX-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001276093295 1205778635 /nfs/dbraw/zinc/77/86/35/1205778635.db2.gz PLTIGLJZSPGDFD-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924568698 1205997270 /nfs/dbraw/zinc/99/72/70/1205997270.db2.gz BZWJPGCYWRGRKH-RUYXUALKSA-N 2 0 331.504 2.065 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CO[C@H]1C ZINC000924644100 1206010021 /nfs/dbraw/zinc/01/00/21/1206010021.db2.gz SFLBBXKOEZGDLC-ZULIPRJHSA-N 2 0 331.504 2.378 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000924664372 1206014245 /nfs/dbraw/zinc/01/42/45/1206014245.db2.gz QGEZYGIBYMXDQR-NNQSOWQGSA-N 2 0 329.366 2.453 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000925657530 1206140771 /nfs/dbraw/zinc/14/07/71/1206140771.db2.gz JHQZDPOQBDFZPW-BRWVUGGUSA-N 2 0 333.451 2.422 10 0 EEAERP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710158 1206145216 /nfs/dbraw/zinc/14/52/16/1206145216.db2.gz HQPZGABETFJRHO-ZGXWSNOMSA-N 3 0 343.515 2.119 10 0 EEAERP COc1ccc([C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000925778934 1206153600 /nfs/dbraw/zinc/15/36/00/1206153600.db2.gz VHZJDZFJVPKBAP-XIRDDKMYSA-N 2 0 339.430 2.323 10 0 EEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925801008 1206154837 /nfs/dbraw/zinc/15/48/37/1206154837.db2.gz IEOBPQPJXXNFIP-KZYLPZIUSA-N 2 0 330.538 2.490 10 0 EEAERP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812171 1206156881 /nfs/dbraw/zinc/15/68/81/1206156881.db2.gz VBLRRYAJQVKOSB-CYBMUJFWSA-N 2 0 338.883 2.070 10 0 EEAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N2CCNC2=O)cc1 ZINC000925836604 1206158653 /nfs/dbraw/zinc/15/86/53/1206158653.db2.gz AZRBADWBJVMWCK-POZUXBRTSA-N 2 0 328.460 2.399 10 0 EEAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(NS(C)(=O)=O)c1 ZINC000925842848 1206159338 /nfs/dbraw/zinc/15/93/38/1206159338.db2.gz KBOVUCFKUAGWSV-KBRIMQKVSA-N 2 0 337.489 2.241 10 0 EEAERP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850492 1206160363 /nfs/dbraw/zinc/16/03/63/1206160363.db2.gz BGCBYPPLSSELHM-FUHWJXTLSA-N 2 0 344.455 2.348 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925853270 1206160839 /nfs/dbraw/zinc/16/08/39/1206160839.db2.gz GIWCZSYZGFDPDH-WBVHZDCISA-N 2 0 332.419 2.478 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2c(c1)COC2 ZINC000925852098 1206160966 /nfs/dbraw/zinc/16/09/66/1206160966.db2.gz GOMJUZIFNYCPIK-CXAGYDPISA-N 2 0 330.428 2.053 10 0 EEAERP O=C1O[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)CC12CC[NH2+]CC2 ZINC000925857023 1206161843 /nfs/dbraw/zinc/16/18/43/1206161843.db2.gz OQHNOHWYZLYBSP-BPCQOVAHSA-N 2 0 334.382 2.382 10 0 EEAERP O=C1O[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)CC12CC[NH2+]CC2 ZINC000925857025 1206161857 /nfs/dbraw/zinc/16/18/57/1206161857.db2.gz OQHNOHWYZLYBSP-WXRRBKDZSA-N 2 0 334.382 2.382 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1OC ZINC000925877200 1206163252 /nfs/dbraw/zinc/16/32/52/1206163252.db2.gz NYFVYLHEFKFBHY-YESZJQIVSA-N 2 0 334.460 2.259 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(OC)c1 ZINC000925876981 1206163262 /nfs/dbraw/zinc/16/32/62/1206163262.db2.gz KYRVHQSCZFGEKZ-MJBXVCDLSA-N 2 0 335.448 2.138 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC[C@@H]1C[NH3+] ZINC000926033519 1206184012 /nfs/dbraw/zinc/18/40/12/1206184012.db2.gz YNGFXUTUTMWWAV-HZPDHXFCSA-N 2 0 348.491 2.466 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000926095212 1206191439 /nfs/dbraw/zinc/19/14/39/1206191439.db2.gz IQQYEMCUDYWRJZ-QGZVFWFLSA-N 2 0 345.491 2.030 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000926648082 1206234833 /nfs/dbraw/zinc/23/48/33/1206234833.db2.gz XABHGSXTUFEMOW-ZCHBJMIBSA-N 2 0 327.472 2.426 10 0 EEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@@H](O)C1(O)CCCC1)C2 ZINC000931612866 1207425364 /nfs/dbraw/zinc/42/53/64/1207425364.db2.gz KCBZDNPUZXICKA-AQNXPRMDSA-N 2 0 344.499 2.106 10 0 EEAERP OC1(CC[NH2+]CC2=CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000718010962 1211700977 /nfs/dbraw/zinc/70/09/77/1211700977.db2.gz MAHIUJKAKFLYQZ-UHFFFAOYSA-N 2 0 330.472 2.340 10 0 EEAERP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[C@H]1CCOC1 ZINC001413048388 1217951629 /nfs/dbraw/zinc/95/16/29/1217951629.db2.gz AGWWKIJEZBEMCN-BQJUDKOJSA-N 2 0 344.499 2.492 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837844 1248819309 /nfs/dbraw/zinc/81/93/09/1248819309.db2.gz MJQSSGAWDYPJHR-HIFRSBDPSA-N 2 0 338.883 2.280 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903722125 1241719408 /nfs/dbraw/zinc/71/94/08/1241719408.db2.gz HJLRKIHHQYIMOE-SFTDATJTSA-N 2 0 344.499 2.479 10 0 EEAERP c1cc(OCCC[N@@H+]2CC[NH2+]CCC23CCOCC3)cc2c1OCO2 ZINC000903817881 1242071029 /nfs/dbraw/zinc/07/10/29/1242071029.db2.gz NMXJCBSSHYOTBC-UHFFFAOYSA-N 2 0 348.443 2.029 10 0 EEAERP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903876144 1242275469 /nfs/dbraw/zinc/27/54/69/1242275469.db2.gz DMOBHVMBCODWLO-INIZCTEOSA-N 2 0 344.459 2.097 10 0 EEAERP O[C@H](C[C@@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896953 1242377410 /nfs/dbraw/zinc/37/74/10/1242377410.db2.gz BVQYTNCFXDCPLF-CUCSMPGESA-N 2 0 330.472 2.342 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956406 1242710516 /nfs/dbraw/zinc/71/05/16/1242710516.db2.gz KYZWSINHRKPEHC-STQMWFEESA-N 2 0 341.402 2.247 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000903974548 1242811925 /nfs/dbraw/zinc/81/19/25/1242811925.db2.gz QENLHEDQDTVRBY-TZMCWYRMSA-N 2 0 328.416 2.141 10 0 EEAERP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1CC[NH3+] ZINC000903977537 1242829246 /nfs/dbraw/zinc/82/92/46/1242829246.db2.gz SHPZOCANXCXDGI-TZMCWYRMSA-N 2 0 328.416 2.222 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](C/C=C/Cl)CC[C@@H]21 ZINC001490984920 1258540621 /nfs/dbraw/zinc/54/06/21/1258540621.db2.gz VGGFAPYVJVMNMY-ZZQZRYSSSA-N 2 0 327.900 2.394 10 0 EEAERP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[NH+]1CCCCCC1 ZINC001491060930 1258620758 /nfs/dbraw/zinc/62/07/58/1258620758.db2.gz CIHOBBVLNFVBIN-YESZJQIVSA-N 2 0 337.508 2.057 10 0 EEAERP COCC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001491079023 1258645035 /nfs/dbraw/zinc/64/50/35/1258645035.db2.gz DSAOLLIIXIYJMT-CEXWTWQISA-N 2 0 345.487 2.097 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1CCC2(CC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001495606099 1258721932 /nfs/dbraw/zinc/72/19/32/1258721932.db2.gz NSARBJKYVHUZQC-MRXNPFEDSA-N 2 0 327.488 2.389 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491456961 1259101209 /nfs/dbraw/zinc/10/12/09/1259101209.db2.gz LSGHQZDVTFMTKJ-OXJNMPFZSA-N 2 0 343.515 2.228 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001273445229 1278416719 /nfs/dbraw/zinc/41/67/19/1278416719.db2.gz JVTGWUXWJNZSBW-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)CC1 ZINC001273468134 1278559262 /nfs/dbraw/zinc/55/92/62/1278559262.db2.gz XCTSYFBBCWBATE-KRWDZBQOSA-N 2 0 332.492 2.284 10 0 EEAERP C[C@@H](F)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001279624875 1276681843 /nfs/dbraw/zinc/68/18/43/1276681843.db2.gz UDIXJVIAKRSKNR-IXDOHACOSA-N 2 0 327.488 2.389 10 0 EEAERP CCN1CCO[C@H](C(=O)NCCCCCC2CC[NH+](CC)CC2)C1 ZINC001273812788 1286259910 /nfs/dbraw/zinc/25/99/10/1286259910.db2.gz AMICOMTWPNQZID-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001489238222 1290487681 /nfs/dbraw/zinc/48/76/81/1290487681.db2.gz ITXNJSZNDZLDTG-QGZVFWFLSA-N 2 0 341.540 2.362 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)Cc2cccnc2)ccc2c[nH+]cn21 ZINC001490216024 1291007689 /nfs/dbraw/zinc/00/76/89/1291007689.db2.gz GNQSVQLUABYJSF-UHFFFAOYSA-N 2 0 337.427 2.290 10 0 EEAERP CCn1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CC[N@H+](C)CC)n1 ZINC001490301701 1291135996 /nfs/dbraw/zinc/13/59/96/1291135996.db2.gz DPRAWGPOVHBRJG-SJLPKXTDSA-N 2 0 349.523 2.104 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001490563592 1291461592 /nfs/dbraw/zinc/46/15/92/1291461592.db2.gz SBPOEYSJGQBXQN-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000852859145 1292217995 /nfs/dbraw/zinc/21/79/95/1292217995.db2.gz QNPYSCKIMRJAGM-IBGZPJMESA-N 2 0 327.472 2.249 10 0 EEAERP C[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852872493 1292223468 /nfs/dbraw/zinc/22/34/68/1292223468.db2.gz OQNAJLZJVRNZKB-QGZVFWFLSA-N 2 0 327.472 2.419 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)CC[NH2+]CC1 ZINC000857253582 1293773162 /nfs/dbraw/zinc/77/31/62/1293773162.db2.gz OURNMHHATZLMHM-VXGBXAGGSA-N 2 0 337.291 2.481 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000863549494 1296330148 /nfs/dbraw/zinc/33/01/48/1296330148.db2.gz LBEHXIOFBPGOKY-FUHWJXTLSA-N 2 0 341.411 2.190 10 0 EEAERP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1[NH2+]CCOC ZINC001276774274 1297587442 /nfs/dbraw/zinc/58/74/42/1297587442.db2.gz XOADYRHVVVSVLC-HKUYNNGSSA-N 2 0 347.503 2.225 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@]2(O)CCOC3(CC[NH2+]CC3)C2)cc1C ZINC000409420714 1298010417 /nfs/dbraw/zinc/01/04/17/1298010417.db2.gz FPBJSBXMMALJML-IBGZPJMESA-N 2 0 348.487 2.099 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491164676 1299646173 /nfs/dbraw/zinc/64/61/73/1299646173.db2.gz XTXKLDTXBTUBCL-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001277349200 1302567360 /nfs/dbraw/zinc/56/73/60/1302567360.db2.gz KSAJXYNQTJCYMG-HIFRSBDPSA-N 2 0 335.414 2.299 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491561565 1304829727 /nfs/dbraw/zinc/82/97/27/1304829727.db2.gz YWRBOJPVEHDLLF-VQIMIIECSA-N 2 0 344.503 2.473 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC[C@@H]2CCCCO2)CCC1 ZINC001277866806 1304975711 /nfs/dbraw/zinc/97/57/11/1304975711.db2.gz YTDJJBSKPVWGNC-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798478379 1305009296 /nfs/dbraw/zinc/00/92/96/1305009296.db2.gz CJHUMAXEFMDTGR-FQEVSTJZSA-N 2 0 346.519 2.492 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH]cn1 ZINC001278263593 1308930498 /nfs/dbraw/zinc/93/04/98/1308930498.db2.gz KPGGDJZOQKHOHK-QAPCUYQASA-N 2 0 348.491 2.128 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001278276505 1308950100 /nfs/dbraw/zinc/95/01/00/1308950100.db2.gz WGXLERWHSNLHBE-SJORKVTESA-N 2 0 327.488 2.483 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001278549996 1317210160 /nfs/dbraw/zinc/21/01/60/1317210160.db2.gz IYCYGHZQNMYAJX-AZUAARDMSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(F)c1Cl ZINC001491567862 1322509879 /nfs/dbraw/zinc/50/98/79/1322509879.db2.gz IELDWJGMAVPHCI-LBPRGKRZSA-N 2 0 341.858 2.415 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001264039433 1322595860 /nfs/dbraw/zinc/59/58/60/1322595860.db2.gz VHZMMMCXDCHNHY-KGLIPLIRSA-N 2 0 349.441 2.497 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001264180616 1322650461 /nfs/dbraw/zinc/65/04/61/1322650461.db2.gz KJBXRULHCLWUDD-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1nocc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001264986307 1322834342 /nfs/dbraw/zinc/83/43/42/1322834342.db2.gz GIUDHNVCIGZNIZ-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001264987916 1322836418 /nfs/dbraw/zinc/83/64/18/1322836418.db2.gz QQYOTBGSGKQDQS-RBUKOAKNSA-N 2 0 347.503 2.364 10 0 EEAERP CCc1cnc(CN(CC)CCCNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001265119850 1322930279 /nfs/dbraw/zinc/93/02/79/1322930279.db2.gz SELYCYSVKIPXTM-MRXNPFEDSA-N 2 0 336.480 2.050 10 0 EEAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265623858 1323275385 /nfs/dbraw/zinc/27/53/85/1323275385.db2.gz FZIANHFVCDMTET-QAPCUYQASA-N 2 0 327.488 2.437 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001265655805 1323300957 /nfs/dbraw/zinc/30/09/57/1323300957.db2.gz PJISRTMUMLWSAK-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)nc1 ZINC001266076455 1323632722 /nfs/dbraw/zinc/63/27/22/1323632722.db2.gz ZZAXMQSQMSFCOH-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001279999008 1324054417 /nfs/dbraw/zinc/05/44/17/1324054417.db2.gz DJXDVJBTPNZBNE-JKSUJKDBSA-N 2 0 348.491 2.220 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCCCF)C1 ZINC001280165662 1324101799 /nfs/dbraw/zinc/10/17/99/1324101799.db2.gz ZKPCNBDMFXFOSY-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCC1 ZINC001280521911 1324273809 /nfs/dbraw/zinc/27/38/09/1324273809.db2.gz FTXPUQLCROMYGA-IAGOWNOFSA-N 2 0 339.524 2.039 10 0 EEAERP CCC1([NH2+]CCCOC)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001281050002 1324744191 /nfs/dbraw/zinc/74/41/91/1324744191.db2.gz RPHBIYWQJUJRSH-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001281455901 1325119294 /nfs/dbraw/zinc/11/92/94/1325119294.db2.gz AKQSYRZPQHTEMS-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCc2cccs2)C2CC2)C1 ZINC001276687428 1325352372 /nfs/dbraw/zinc/35/23/72/1325352372.db2.gz RSCPBBNPTAFXCY-RHSMWYFYSA-N 2 0 335.517 2.117 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC[C@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282288434 1325678364 /nfs/dbraw/zinc/67/83/64/1325678364.db2.gz HJGCGZMLOYDXDL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001282736867 1325775989 /nfs/dbraw/zinc/77/59/89/1325775989.db2.gz IQFWAHWMAHWKQK-MRXNPFEDSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283190376 1325950271 /nfs/dbraw/zinc/95/02/71/1325950271.db2.gz DGOYRGOSJCGBNJ-CXAGYDPISA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](CCC[NH2+][C@@H](C)c1ncccn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001283248112 1325970539 /nfs/dbraw/zinc/97/05/39/1325970539.db2.gz KSAMKAIWRHCHOE-HOTGVXAUSA-N 2 0 347.507 2.144 10 0 EEAERP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]cn3)CCC[C@H]12 ZINC001284066419 1326390173 /nfs/dbraw/zinc/39/01/73/1326390173.db2.gz GPUJQOPLWXDOBS-VDZJLULYSA-N 2 0 348.491 2.128 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001284631740 1326639997 /nfs/dbraw/zinc/63/99/97/1326639997.db2.gz PCCYGDYFYFCFAU-KRWDZBQOSA-N 2 0 341.540 2.264 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1c(F)cccc1Cl ZINC001491640404 1330194182 /nfs/dbraw/zinc/19/41/82/1330194182.db2.gz SMKDPCGOMVNLLN-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001491958603 1330351615 /nfs/dbraw/zinc/35/16/15/1330351615.db2.gz FGYVLPIUXFOUOC-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cnoc1C)[NH+](C)C ZINC001492164636 1331029075 /nfs/dbraw/zinc/02/90/75/1331029075.db2.gz CEHHPWWKHNKFLB-SJORKVTESA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492258163 1331118802 /nfs/dbraw/zinc/11/88/02/1331118802.db2.gz ZJEYNDZPRLKCLZ-MVHVFESUSA-N 2 0 341.499 2.480 10 0 EEAERP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865301 1331774290 /nfs/dbraw/zinc/77/42/90/1331774290.db2.gz IMJTWKIWOPSUJT-KBPBESRZSA-N 2 0 339.430 2.416 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001316865480 1331774482 /nfs/dbraw/zinc/77/44/82/1331774482.db2.gz LJXLESLLVOMJOH-GOSISDBHSA-N 2 0 333.451 2.347 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@H]1CCC(F)(F)C1 ZINC001316823533 1331857052 /nfs/dbraw/zinc/85/70/52/1331857052.db2.gz FCTRVDXXLGDQAL-GOEBONIOSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H](C)Cc2c[nH]cn2)c(C)n1 ZINC001316854115 1331936705 /nfs/dbraw/zinc/93/67/05/1331936705.db2.gz QQXOSIQYEJZPQP-CQSZACIVSA-N 2 0 343.475 2.238 10 0 EEAERP Cc1nc(C)c(C[NH+](CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)o1 ZINC001316924582 1331991404 /nfs/dbraw/zinc/99/14/04/1331991404.db2.gz WPCCRRPUSCSGEV-AWEZNQCLSA-N 2 0 348.491 2.104 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316943775 1332006868 /nfs/dbraw/zinc/00/68/68/1332006868.db2.gz MBTRPSZJLFUCQP-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317066764 1332067655 /nfs/dbraw/zinc/06/76/55/1332067655.db2.gz CLFVQYRXLLFSCQ-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100066 1332078785 /nfs/dbraw/zinc/07/87/85/1332078785.db2.gz MUBMHMZPXIABPI-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001317162983 1332106891 /nfs/dbraw/zinc/10/68/91/1332106891.db2.gz YBXCUMLZZDSVLI-NKPXIPJASA-N 2 0 327.900 2.299 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001317164634 1332107554 /nfs/dbraw/zinc/10/75/54/1332107554.db2.gz ZFORKFLSRVPATO-IAGOWNOFSA-N 2 0 347.507 2.098 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317266449 1332158655 /nfs/dbraw/zinc/15/86/55/1332158655.db2.gz WULAISPWVDPPOC-WMZOPIPTSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001317281026 1332163963 /nfs/dbraw/zinc/16/39/63/1332163963.db2.gz BIMLIKHHGSSSDP-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@@H](C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1)OC ZINC001317434733 1332238701 /nfs/dbraw/zinc/23/87/01/1332238701.db2.gz JLJYZPPLHYRHCQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]CCc1cccs1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317625497 1332334598 /nfs/dbraw/zinc/33/45/98/1332334598.db2.gz GDFJLJRXJXQFOT-UHFFFAOYSA-N 2 0 325.522 2.317 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)n1 ZINC001317644897 1332345525 /nfs/dbraw/zinc/34/55/25/1332345525.db2.gz YGUWZHWWEVXAOA-UHFFFAOYSA-N 2 0 346.519 2.485 10 0 EEAERP COc1ccncc1CC(=O)NCC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001317788029 1332409043 /nfs/dbraw/zinc/40/90/43/1332409043.db2.gz HXMGVIFINBZUKD-MRXNPFEDSA-N 2 0 331.460 2.427 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCC(F)(F)F)C1 ZINC001317960974 1332452340 /nfs/dbraw/zinc/45/23/40/1332452340.db2.gz JITJCSAJEAVKIH-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP Cn1ccnc1CCC(=O)NCC1C[NH+](CCCCC(F)(F)F)C1 ZINC001318138560 1332477092 /nfs/dbraw/zinc/47/70/92/1332477092.db2.gz JSYJZWZWTFLRBC-UHFFFAOYSA-N 2 0 346.397 2.133 10 0 EEAERP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001413907846 1332533647 /nfs/dbraw/zinc/53/36/47/1332533647.db2.gz QOGRVRDGZJAUCN-RBUKOAKNSA-N 2 0 344.503 2.435 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001318819227 1332603957 /nfs/dbraw/zinc/60/39/57/1332603957.db2.gz DBDLNDBTMGPNES-MAUKXSAKSA-N 2 0 348.466 2.033 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001319169255 1332660197 /nfs/dbraw/zinc/66/01/97/1332660197.db2.gz ZSCBFJKGZXFMLY-PKOBYXMFSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461785 1332705769 /nfs/dbraw/zinc/70/57/69/1332705769.db2.gz VNFPNHPUEGCOPW-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001319533960 1332716793 /nfs/dbraw/zinc/71/67/93/1332716793.db2.gz MDUUPYMOEMKJQI-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP C[C@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320414098 1332877701 /nfs/dbraw/zinc/87/77/01/1332877701.db2.gz AFGRAVKRAIYCLT-CRAIPNDOSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320464828 1332890544 /nfs/dbraw/zinc/89/05/44/1332890544.db2.gz UEKUFDFMGYSOTB-CYBMUJFWSA-N 2 0 335.414 2.299 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cnc(C)o2)C1 ZINC001320527554 1332902903 /nfs/dbraw/zinc/90/29/03/1332902903.db2.gz ANJWFEAUTSBKMQ-GDBMZVCRSA-N 2 0 336.480 2.089 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2conc2C)C1 ZINC001320531065 1332904839 /nfs/dbraw/zinc/90/48/39/1332904839.db2.gz XMADWAHCUUPWMK-GOEBONIOSA-N 2 0 336.480 2.089 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001320766346 1332948283 /nfs/dbraw/zinc/94/82/83/1332948283.db2.gz INBHSJMPMZDMGO-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001320927693 1332981024 /nfs/dbraw/zinc/98/10/24/1332981024.db2.gz BPUNDEKAQRYCCD-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc(F)c1 ZINC001321064749 1333009512 /nfs/dbraw/zinc/00/95/12/1333009512.db2.gz OPVVCLLWOCHTFF-JDDKEMAESA-N 2 0 345.462 2.491 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067696 1333010701 /nfs/dbraw/zinc/01/07/01/1333010701.db2.gz XMAXEGDRWLOJST-KWNLBSCQSA-N 2 0 333.451 2.489 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001321200202 1333043755 /nfs/dbraw/zinc/04/37/55/1333043755.db2.gz MXZNDTZAHHAHSQ-VOFKWLDRSA-N 2 0 329.488 2.495 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC001321253886 1333056551 /nfs/dbraw/zinc/05/65/51/1333056551.db2.gz YCZLHJQDBGHZTI-UEKDZROGSA-N 2 0 340.471 2.337 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1F ZINC001321419781 1333100881 /nfs/dbraw/zinc/10/08/81/1333100881.db2.gz QORNTGJNMCRYSQ-DKFQHHCZSA-N 2 0 333.451 2.462 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321958274 1333186242 /nfs/dbraw/zinc/18/62/42/1333186242.db2.gz YVDWKMPTUDJYAD-WMZOPIPTSA-N 2 0 347.503 2.206 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322358524 1333253449 /nfs/dbraw/zinc/25/34/49/1333253449.db2.gz HHYDSMDGJMRTNW-OALUTQOASA-N 2 0 347.503 2.273 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCCc3ccccc3)CC2)C1 ZINC001323592026 1333494926 /nfs/dbraw/zinc/49/49/26/1333494926.db2.gz PABZEQSFRWUVOW-SFHVURJKSA-N 2 0 329.488 2.199 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001324864226 1333776531 /nfs/dbraw/zinc/77/65/31/1333776531.db2.gz HULGAGIFAUAJEG-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001326351909 1334074810 /nfs/dbraw/zinc/07/48/10/1334074810.db2.gz XHQDOIBOLALZBR-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]CCCCCF ZINC001327882275 1334358967 /nfs/dbraw/zinc/35/89/67/1334358967.db2.gz QFXHOMRIXPGADW-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP COCCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001328024060 1334380593 /nfs/dbraw/zinc/38/05/93/1334380593.db2.gz VHEHEYMFZJFAGG-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001328353062 1334449124 /nfs/dbraw/zinc/44/91/24/1334449124.db2.gz ZNEWGERPLACINU-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001329154205 1334596458 /nfs/dbraw/zinc/59/64/58/1334596458.db2.gz XEYDENQZOXAQDR-JKSUJKDBSA-N 2 0 339.524 2.159 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001332109258 1335731050 /nfs/dbraw/zinc/73/10/50/1335731050.db2.gz FKNSTMABWSWLNY-YLJYHZDGSA-N 2 0 349.519 2.012 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001332279632 1335789844 /nfs/dbraw/zinc/78/98/44/1335789844.db2.gz IGBNMMBWNSGYTR-HUUCEWRRSA-N 2 0 327.488 2.483 10 0 EEAERP C[N@H+](CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1)C1CCCCC1 ZINC001332293200 1335794726 /nfs/dbraw/zinc/79/47/26/1335794726.db2.gz OYSKMOAOUWHPBM-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900670 1335927334 /nfs/dbraw/zinc/92/73/34/1335927334.db2.gz VCKKDRQBMXAGJY-IRXDYDNUSA-N 2 0 341.540 2.121 10 0 EEAERP [NH2+]=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000849117748 1339146004 /nfs/dbraw/zinc/14/60/04/1339146004.db2.gz TXTXNXUOJWXCKZ-UHFFFAOYSA-N 2 0 330.476 2.024 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001433694631 1341661541 /nfs/dbraw/zinc/66/15/41/1341661541.db2.gz NJAFHZMDYNZCBS-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC001433892060 1341714418 /nfs/dbraw/zinc/71/44/18/1341714418.db2.gz SXRDNUDBDIDCMB-LTIDMASMSA-N 2 0 339.549 2.145 10 0 EEAERP C[NH+](C)CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001434355248 1341830857 /nfs/dbraw/zinc/83/08/57/1341830857.db2.gz LBGHMYZUQKZLJC-HKUYNNGSSA-N 2 0 344.503 2.094 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC001434802305 1341945295 /nfs/dbraw/zinc/94/52/95/1341945295.db2.gz NOHHMMIYRDUDRP-AEFFLSMTSA-N 2 0 344.503 2.433 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOC(C)C)C1 ZINC001436324210 1342027949 /nfs/dbraw/zinc/02/79/49/1342027949.db2.gz COEGFSTYSBYSCZ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001436331873 1342035636 /nfs/dbraw/zinc/03/56/36/1342035636.db2.gz PVJLVFIQCDSVAX-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001436397597 1342073471 /nfs/dbraw/zinc/07/34/71/1342073471.db2.gz PWEVNXIBSPUTHB-QGPMSJSTSA-N 2 0 339.499 2.341 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2N(C)C)C1 ZINC001500293071 1342140482 /nfs/dbraw/zinc/14/04/82/1342140482.db2.gz QRKQHYAEJYCDFQ-FQEVSTJZSA-N 2 0 346.519 2.173 10 0 EEAERP CC(C)COCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001506750872 1342314345 /nfs/dbraw/zinc/31/43/45/1342314345.db2.gz QSTRJUOWJYXYTH-IRXDYDNUSA-N 2 0 341.540 2.072 10 0 EEAERP Cc1nc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)sc1C ZINC001567542238 1342782842 /nfs/dbraw/zinc/78/28/42/1342782842.db2.gz SYUJVPZHQFHMNW-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP Cc1cccc(OCC[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001567610994 1342793170 /nfs/dbraw/zinc/79/31/70/1342793170.db2.gz QWCPTKIOCQLHPE-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018234 1357090087 /nfs/dbraw/zinc/09/00/87/1357090087.db2.gz IUGOWVLBBJSMLH-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)CCOCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567764149 1342835001 /nfs/dbraw/zinc/83/50/01/1342835001.db2.gz GILMRJIFHFFISI-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(F)c1F)C(=O)C1CC[NH+](C)CC1 ZINC001568772057 1342852387 /nfs/dbraw/zinc/85/23/87/1342852387.db2.gz HCIOBOITNDJJBW-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)C[NH+]1CCC(C)CC1 ZINC001568785874 1342855242 /nfs/dbraw/zinc/85/52/42/1342855242.db2.gz AUJWSIQLBCTKDE-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009523 1342998322 /nfs/dbraw/zinc/99/83/22/1342998322.db2.gz IOLPKAXRQSMGSX-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001570572166 1343087205 /nfs/dbraw/zinc/08/72/05/1343087205.db2.gz VODVRTCQPJYSEM-SLTAFYQDSA-N 2 0 331.451 2.248 10 0 EEAERP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001570905237 1343137320 /nfs/dbraw/zinc/13/73/20/1343137320.db2.gz PVGWMPWPQYDTIE-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001571357097 1343196184 /nfs/dbraw/zinc/19/61/84/1343196184.db2.gz DWTWPIUYNYYIHZ-DLBZAZTESA-N 2 0 335.517 2.211 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H](C[NH2+]CCC2CC2)[C@H](C(F)(F)F)C1 ZINC001571572877 1343241382 /nfs/dbraw/zinc/24/13/82/1343241382.db2.gz ZFJYPZKCFMUKFI-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001645892456 1352807414 /nfs/dbraw/zinc/80/74/14/1352807414.db2.gz DUONNJCQJGDYOA-HOTGVXAUSA-N 2 0 332.448 2.033 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccn(C2CCCC2)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649454523 1353514196 /nfs/dbraw/zinc/51/41/96/1353514196.db2.gz OPIPGUKIOYYXRX-MAUKXSAKSA-N 2 0 347.507 2.077 10 0 EEAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C[C@@H]1CCCOC1 ZINC001660145243 1354403998 /nfs/dbraw/zinc/40/39/98/1354403998.db2.gz CPWJWYGGHYYTTB-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)s1 ZINC001660369169 1354450858 /nfs/dbraw/zinc/45/08/58/1354450858.db2.gz QMUFGNDSWRAUJW-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@@H]1CCCC1(F)F ZINC001660400589 1354458552 /nfs/dbraw/zinc/45/85/52/1354458552.db2.gz YRAZLVFYLXWYJV-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCC2CC2)CCC1 ZINC001661530815 1354650624 /nfs/dbraw/zinc/65/06/24/1354650624.db2.gz XUHREQWWFRAMGP-AYHJJNSGSA-N 2 0 349.519 2.009 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1)C1CCC1 ZINC001662641626 1354818334 /nfs/dbraw/zinc/81/83/34/1354818334.db2.gz SZYXUOVQUVLQPW-GOSISDBHSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1ccnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001662791009 1354847924 /nfs/dbraw/zinc/84/79/24/1354847924.db2.gz MNOSTYINBBHJNB-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCCC(F)(F)F ZINC001663476451 1354967979 /nfs/dbraw/zinc/96/79/79/1354967979.db2.gz VYKHWLKDAJUDCK-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001664044118 1355080376 /nfs/dbraw/zinc/08/03/76/1355080376.db2.gz ORSWMZNPOBMAPR-UHFFFAOYSA-N 2 0 337.414 2.141 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)CC[NH+](C)C ZINC001664165104 1355105492 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0 EEAERP C[N@H+](CCCCCF)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001664884246 1355251016 /nfs/dbraw/zinc/25/10/16/1355251016.db2.gz GAAGKVPCCHHKQY-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001666947297 1355619852 /nfs/dbraw/zinc/61/98/52/1355619852.db2.gz DWNXRVKGQUUQIT-HNNXBMFYSA-N 2 0 327.432 2.284 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]Cc1cccnc1)C12CC[NH+](CC1)C2 ZINC001667302164 1355703871 /nfs/dbraw/zinc/70/38/71/1355703871.db2.gz RIXKLSIQMIHDTJ-SFHVURJKSA-N 2 0 342.487 2.038 10 0 EEAERP CCOCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001667400856 1355732592 /nfs/dbraw/zinc/73/25/92/1355732592.db2.gz ORABCUAAZMQECI-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162501 1355889191 /nfs/dbraw/zinc/88/91/91/1355889191.db2.gz FXJDZKHCUYPHPL-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001668319155 1355922746 /nfs/dbraw/zinc/92/27/46/1355922746.db2.gz DVJHTYUTZLNLTM-ZDUSSCGKSA-N 2 0 326.872 2.060 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670095206 1356273842 /nfs/dbraw/zinc/27/38/42/1356273842.db2.gz CKQJWYHQGKNBLB-PMACEKPBSA-N 2 0 341.499 2.454 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001670158217 1356287313 /nfs/dbraw/zinc/28/73/13/1356287313.db2.gz OATACZVMOIIQBO-UHFFFAOYSA-N 2 0 341.415 2.191 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671368815 1356332545 /nfs/dbraw/zinc/33/25/45/1356332545.db2.gz MNKGCSAVCVZMEC-KRWDZBQOSA-N 2 0 332.492 2.203 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@](C)(C[NH2+]C/C=C\Cl)C2)CC1 ZINC001671788744 1356414368 /nfs/dbraw/zinc/41/43/68/1356414368.db2.gz APKGAVGROWLVLJ-RJIDQJRZSA-N 2 0 327.900 2.299 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672809500 1356589168 /nfs/dbraw/zinc/58/91/68/1356589168.db2.gz CIHGQBKVUQBOAD-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001672816913 1356591502 /nfs/dbraw/zinc/59/15/02/1356591502.db2.gz ZCIIERZWIZTICZ-CRAIPNDOSA-N 2 0 348.491 2.050 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673168488 1356650960 /nfs/dbraw/zinc/65/09/60/1356650960.db2.gz NPBPNJBDPVUOLS-QGZVFWFLSA-N 2 0 337.508 2.057 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001674491149 1356845349 /nfs/dbraw/zinc/84/53/49/1356845349.db2.gz LPURNAHEFGATBV-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCC(F)(F)F)C(=O)C1(C[NH+](C)C)CC1 ZINC001674851497 1356903097 /nfs/dbraw/zinc/90/30/97/1356903097.db2.gz BZLQSPVLEUWUGF-UHFFFAOYSA-N 2 0 337.430 2.355 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)oc1C ZINC001675903967 1357066125 /nfs/dbraw/zinc/06/61/25/1357066125.db2.gz PENAWQDSMBDZGK-GUYCJALGSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106868 1405262192 /nfs/dbraw/zinc/26/21/92/1405262192.db2.gz PLHZUBVICXUMBY-YJBOKZPZSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@@H](CC[NH2+]Cc1coc(C2CC2)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114956 1405270141 /nfs/dbraw/zinc/27/01/41/1405270141.db2.gz MQIVONBKCQUSGE-XJKSGUPXSA-N 2 0 334.464 2.021 10 0 EEAERP CN(CCC[NH2+]Cc1ccccc1C1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699549956 1405385112 /nfs/dbraw/zinc/38/51/12/1405385112.db2.gz ADNHNKRDUFBBGZ-GOSISDBHSA-N 2 0 329.488 2.454 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CCN(Cc2ccnc(Cl)c2)C1 ZINC001699828204 1405513788 /nfs/dbraw/zinc/51/37/88/1405513788.db2.gz ZSHKINQAXBGJNC-KRWDZBQOSA-N 2 0 338.883 2.157 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001699839894 1405519617 /nfs/dbraw/zinc/51/96/17/1405519617.db2.gz YNRMSKNWSQNNBP-OPZJBCNKSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699843103 1405522343 /nfs/dbraw/zinc/52/23/43/1405522343.db2.gz RVPYCKXBRXWJKE-OAHLLOKOSA-N 2 0 347.425 2.395 10 0 EEAERP CN(C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000846674228 790366864 /nfs/dbraw/zinc/36/68/64/790366864.db2.gz VGWZUSMNJGEXHM-ZWKOTPCHSA-N 2 0 331.460 2.120 10 0 EEAERP Cn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000906542061 783984784 /nfs/dbraw/zinc/98/47/84/783984784.db2.gz XJLBSWJHJTWCSP-QZTJIDSGSA-N 2 0 341.459 2.294 10 0 EEAERP COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000819185658 785453696 /nfs/dbraw/zinc/45/36/96/785453696.db2.gz PMQRSRVQYWHHIX-JMLCCBQJSA-N 2 0 336.476 2.447 10 0 EEAERP COc1ccc(OC)c([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000325150560 785838542 /nfs/dbraw/zinc/83/85/42/785838542.db2.gz OGWNUVJFAKYNFT-MUSFGAPCSA-N 2 0 334.460 2.342 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cn(C)cn1 ZINC000709991484 786976950 /nfs/dbraw/zinc/97/69/50/786976950.db2.gz FKIYIWCLDQBSBK-MRXNPFEDSA-N 2 0 328.460 2.098 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000844204908 788925473 /nfs/dbraw/zinc/92/54/73/788925473.db2.gz RKXHNVBQHVSABW-OAHLLOKOSA-N 2 0 338.883 2.234 10 0 EEAERP Cc1ccc(CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]2CCCO2)cc1 ZINC000923314111 789352677 /nfs/dbraw/zinc/35/26/77/789352677.db2.gz PDZORZCCWJGWRW-VQTJNVASSA-N 2 0 344.499 2.397 10 0 EEAERP OCCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCc2ccccc21 ZINC000923318449 789360887 /nfs/dbraw/zinc/36/08/87/789360887.db2.gz ZTRQERTUBMCNTD-IEBWSBKVSA-N 2 0 330.472 2.127 10 0 EEAERP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923458096 789574974 /nfs/dbraw/zinc/57/49/74/789574974.db2.gz LOEJBYNWFSMHJS-MAUKXSAKSA-N 2 0 345.487 2.406 10 0 EEAERP C[N@H+](CCCCCC[NH3+])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000846220130 790092029 /nfs/dbraw/zinc/09/20/29/790092029.db2.gz CVTZUKMMHMUQTK-CQSZACIVSA-N 2 0 342.281 2.426 10 0 EEAERP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000952995086 796136730 /nfs/dbraw/zinc/13/67/30/796136730.db2.gz CPRSEIHZEWQBGU-SJLPKXTDSA-N 2 0 345.487 2.006 10 0 EEAERP C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716694234 796443544 /nfs/dbraw/zinc/44/35/44/796443544.db2.gz SAVSFSSNSRODOK-MVBLQPKNSA-N 2 0 330.472 2.169 10 0 EEAERP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3c[nH]nc3c1)C2 ZINC000922385417 800939645 /nfs/dbraw/zinc/93/96/45/800939645.db2.gz BKKQJEXZTTWSFB-MKXGPGLRSA-N 2 0 328.460 2.132 10 0 EEAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000922505523 801202342 /nfs/dbraw/zinc/20/23/42/801202342.db2.gz TUQIPIBGIXETMZ-AVAKVYKDSA-N 2 0 347.507 2.344 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)CC[C@H]2CCC[NH+]2C)o1 ZINC001566462880 1125623202 /nfs/dbraw/zinc/62/32/02/1125623202.db2.gz DCLBWUKJQDBKIV-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CCc1ccccc1 ZINC001566497763 1125664213 /nfs/dbraw/zinc/66/42/13/1125664213.db2.gz GGVXFQULIKDGKM-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cnccn1 ZINC001566497996 1125664263 /nfs/dbraw/zinc/66/42/63/1125664263.db2.gz PAKMRXARNMGDTA-SJLPKXTDSA-N 2 0 347.507 2.239 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)co1 ZINC001436415578 1087770602 /nfs/dbraw/zinc/77/06/02/1087770602.db2.gz SHQDVGUIWSQZDL-DLBZAZTESA-N 2 0 348.491 2.234 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)O1 ZINC001436979072 1088679666 /nfs/dbraw/zinc/67/96/66/1088679666.db2.gz OYTVIEKPTGLANC-WNRNVDISSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001436999282 1088749911 /nfs/dbraw/zinc/74/99/11/1088749911.db2.gz MQNLTAYQVJDYDQ-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437002707 1088764637 /nfs/dbraw/zinc/76/46/37/1088764637.db2.gz LNXCGESYQPHLER-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001437006492 1088776983 /nfs/dbraw/zinc/77/69/83/1088776983.db2.gz TUMJDUSTMASLQX-LJQANCHMSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437058002 1088956465 /nfs/dbraw/zinc/95/64/65/1088956465.db2.gz GFMAYPWZEZMHGG-GOEBONIOSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C2)sn1 ZINC001437068034 1088996994 /nfs/dbraw/zinc/99/69/94/1088996994.db2.gz SHDWIRVHUHUTQB-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCOCC1 ZINC001437211859 1089289349 /nfs/dbraw/zinc/28/93/49/1089289349.db2.gz FTWQEUASEBBJKF-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001437232982 1089327054 /nfs/dbraw/zinc/32/70/54/1089327054.db2.gz IQRHACAXXHDGOC-KRWDZBQOSA-N 2 0 347.503 2.009 10 0 EEAERP CC[C@@H]([NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001437232988 1089330773 /nfs/dbraw/zinc/33/07/73/1089330773.db2.gz CFBDKTLKAZAJKG-RHSMWYFYSA-N 2 0 333.451 2.467 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1C ZINC001437325919 1089494866 /nfs/dbraw/zinc/49/48/66/1089494866.db2.gz LWIVNEZCJCVCSD-QGZVFWFLSA-N 2 0 347.503 2.282 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1)C1CCC1 ZINC001437330641 1089508293 /nfs/dbraw/zinc/50/82/93/1089508293.db2.gz LZULJMWNFZPLOB-ZIAGYGMSSA-N 2 0 336.505 2.144 10 0 EEAERP C[C@H]1CC[C@@H](C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)O1 ZINC001437484250 1089840252 /nfs/dbraw/zinc/84/02/52/1089840252.db2.gz NTHWSULCMXASKU-RDJZCZTQSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H](C(=O)NCC[N@H+](C)CC[C@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001437527664 1089958401 /nfs/dbraw/zinc/95/84/01/1089958401.db2.gz VVBSETRQUIASQQ-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001437613374 1090121194 /nfs/dbraw/zinc/12/11/94/1090121194.db2.gz BHLYDFZBRJBPNA-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cccnc1C ZINC001437640296 1090158843 /nfs/dbraw/zinc/15/88/43/1090158843.db2.gz AYTXCWNJWWIHJI-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cccnc1 ZINC001437765982 1090345640 /nfs/dbraw/zinc/34/56/40/1090345640.db2.gz UJBSMSJLNNUUOM-OALUTQOASA-N 2 0 344.503 2.427 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001437949407 1090545326 /nfs/dbraw/zinc/54/53/26/1090545326.db2.gz RHYRFUUVXKBJBB-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1nccs1 ZINC001438326242 1090799286 /nfs/dbraw/zinc/79/92/86/1090799286.db2.gz LLIASHZDHCOUHH-CABCVRRESA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001438484819 1090987171 /nfs/dbraw/zinc/98/71/71/1090987171.db2.gz CBYXUWBNXQQIKY-OXJNMPFZSA-N 2 0 343.515 2.487 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](Cc3cccc(F)c3)C2)CC1 ZINC001438610134 1091099379 /nfs/dbraw/zinc/09/93/79/1091099379.db2.gz LWMPGUXVHYRBBX-UHFFFAOYSA-N 2 0 333.451 2.202 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001445394989 1091140220 /nfs/dbraw/zinc/14/02/20/1091140220.db2.gz ONDRTVPITFSEMD-CRAIPNDOSA-N 2 0 332.492 2.284 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccns1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438740826 1091292955 /nfs/dbraw/zinc/29/29/55/1091292955.db2.gz HVRYBTOAXBIPOC-LSDHHAIUSA-N 2 0 338.521 2.105 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC001445550753 1091321118 /nfs/dbraw/zinc/32/11/18/1091321118.db2.gz ZCFWXTSMLKWVQO-SWLSCSKDSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001438812541 1091428554 /nfs/dbraw/zinc/42/85/54/1091428554.db2.gz NFQUBCYJFLRTLE-OAHLLOKOSA-N 2 0 336.480 2.088 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001445773871 1091637510 /nfs/dbraw/zinc/63/75/10/1091637510.db2.gz HKABXCKLNSPKBY-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439124928 1091768400 /nfs/dbraw/zinc/76/84/00/1091768400.db2.gz XSKUEVVHHDKULU-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001439160237 1091803562 /nfs/dbraw/zinc/80/35/62/1091803562.db2.gz ZZIGSIPBEXDKFU-NVXWUHKLSA-N 2 0 332.492 2.249 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1CC1 ZINC001445948095 1091887975 /nfs/dbraw/zinc/88/79/75/1091887975.db2.gz FBSZHRWZXUQRMV-AMNUONFKSA-N 2 0 334.291 2.274 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(C)nc1C ZINC001446023565 1092014304 /nfs/dbraw/zinc/01/43/04/1092014304.db2.gz YVUMQTZFIXNVCE-MJGOQNOKSA-N 2 0 346.519 2.367 10 0 EEAERP C[C@@H](C[N@H+](C)CC[C@@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439355751 1092070338 /nfs/dbraw/zinc/07/03/38/1092070338.db2.gz QVCGMGFNQWROHI-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001439413601 1092182356 /nfs/dbraw/zinc/18/23/56/1092182356.db2.gz YFSUXBWODRNJNB-CQSZACIVSA-N 2 0 339.430 2.040 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001439458167 1092235007 /nfs/dbraw/zinc/23/50/07/1092235007.db2.gz HEUPURSDSRAJDI-OALUTQOASA-N 2 0 345.462 2.152 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001446293763 1092454836 /nfs/dbraw/zinc/45/48/36/1092454836.db2.gz IJDIPECJOUHEME-GASCZTMLSA-N 2 0 330.476 2.001 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)s1 ZINC001439765168 1092723011 /nfs/dbraw/zinc/72/30/11/1092723011.db2.gz PWJTYRNAUNOQPC-ZFWWWQNUSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C)(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC001439801855 1092758877 /nfs/dbraw/zinc/75/88/77/1092758877.db2.gz DLJKTSHZCRYAOA-GJZGRUSLSA-N 2 0 348.491 2.327 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439831991 1092824091 /nfs/dbraw/zinc/82/40/91/1092824091.db2.gz RUQGYZWEOJJNPA-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1F ZINC001440198061 1093268998 /nfs/dbraw/zinc/26/89/98/1093268998.db2.gz ZVPSBPMNTJZIMN-QZTJIDSGSA-N 2 0 333.451 2.343 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cccc(F)c3)CCC2)C1 ZINC001440359960 1093522560 /nfs/dbraw/zinc/52/25/60/1093522560.db2.gz WXXPRGFWYWPICA-INIZCTEOSA-N 2 0 333.451 2.296 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1)[NH+]1CCCC1 ZINC001440361657 1093525350 /nfs/dbraw/zinc/52/53/50/1093525350.db2.gz IOZNJAJYGRNIJE-QAETUUGQSA-N 2 0 327.488 2.339 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001440402273 1093588853 /nfs/dbraw/zinc/58/88/53/1093588853.db2.gz NWPNUSAMFCHPAW-ZWKOTPCHSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1nsc(C)c1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001440479266 1093709064 /nfs/dbraw/zinc/70/90/64/1093709064.db2.gz GERFBKOOUGJUDE-UHFFFAOYSA-N 2 0 338.521 2.136 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001448659148 1093726794 /nfs/dbraw/zinc/72/67/94/1093726794.db2.gz QSBBFSTYLUWNAU-WMZOPIPTSA-N 2 0 332.492 2.199 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001440653492 1093925420 /nfs/dbraw/zinc/92/54/20/1093925420.db2.gz PMGFVPFBWPKTPD-GOEBONIOSA-N 2 0 336.480 2.046 10 0 EEAERP C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001440800035 1094044349 /nfs/dbraw/zinc/04/43/49/1094044349.db2.gz MMSNYLVMEYSFTG-HOTGVXAUSA-N 2 0 341.540 2.264 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC001440844735 1094102479 /nfs/dbraw/zinc/10/24/79/1094102479.db2.gz DOUQHGWFKVLKLF-VXGBXAGGSA-N 2 0 326.510 2.085 10 0 EEAERP COc1cc(C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]2CC[NH+](C)C2)ccc1C ZINC001440993360 1094260441 /nfs/dbraw/zinc/26/04/41/1094260441.db2.gz CHFKZVZXKUVLPD-AEFFLSMTSA-N 2 0 347.503 2.282 10 0 EEAERP CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001441005705 1094281202 /nfs/dbraw/zinc/28/12/02/1094281202.db2.gz RFUNEEVBYMGJMQ-INIZCTEOSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001441362982 1094883623 /nfs/dbraw/zinc/88/36/23/1094883623.db2.gz BAVOQQZOXAMIHK-JFIYKMOQSA-N 2 0 348.491 2.088 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001441374666 1094909549 /nfs/dbraw/zinc/90/95/49/1094909549.db2.gz ZTSBNDVRVNWTQX-HBUWYVDXSA-N 2 0 333.451 2.249 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)[NH+](C)C ZINC001441400952 1094971235 /nfs/dbraw/zinc/97/12/35/1094971235.db2.gz TVAVTQRZKPRGTK-ZQDZILKHSA-N 2 0 331.451 2.389 10 0 EEAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001441457374 1095107571 /nfs/dbraw/zinc/10/75/71/1095107571.db2.gz MXBAZUFKTGMBMK-CEXWTWQISA-N 2 0 329.488 2.178 10 0 EEAERP CO[C@@H](C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001441595968 1095435022 /nfs/dbraw/zinc/43/50/22/1095435022.db2.gz TVALABCBNANPTJ-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C)on3)[C@@H]2C1 ZINC001441869455 1095981187 /nfs/dbraw/zinc/98/11/87/1095981187.db2.gz LAYQLWKBOVUMDY-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC001441933356 1096123408 /nfs/dbraw/zinc/12/34/08/1096123408.db2.gz KUMLEHXCEXRDHY-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001441942579 1096140436 /nfs/dbraw/zinc/14/04/36/1096140436.db2.gz XHSPWLKGRKVDMA-UEDYQVLESA-N 2 0 327.900 2.440 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(C)ns2)C1 ZINC001441944239 1096143463 /nfs/dbraw/zinc/14/34/63/1096143463.db2.gz UMQVRHJBDSGORF-GJZGRUSLSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441955845 1096156681 /nfs/dbraw/zinc/15/66/81/1096156681.db2.gz WQOYEDHRYXXDDO-GJZGRUSLSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001442140399 1096387325 /nfs/dbraw/zinc/38/73/25/1096387325.db2.gz IOZFBNOOORDWMZ-JKSUJKDBSA-N 2 0 336.480 2.006 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001442203241 1096487136 /nfs/dbraw/zinc/48/71/36/1096487136.db2.gz YELUOANVUZHONV-NWDGAFQWSA-N 2 0 344.912 2.265 10 0 EEAERP CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001442209453 1096497757 /nfs/dbraw/zinc/49/77/57/1096497757.db2.gz HMLWMICSBWYIEM-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001442306758 1096621702 /nfs/dbraw/zinc/62/17/02/1096621702.db2.gz OYKZEHQMTRKSRQ-CRAIPNDOSA-N 2 0 347.507 2.032 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H]1CCc2ccccc2C1 ZINC001442742458 1097117336 /nfs/dbraw/zinc/11/73/36/1097117336.db2.gz CJEMTZVVBBXVLA-XLIONFOSSA-N 2 0 343.515 2.181 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1CCC(F)(F)CC1 ZINC001442747355 1097122838 /nfs/dbraw/zinc/12/28/38/1097122838.db2.gz UKCGCTXSDXDCMO-UHFFFAOYSA-N 2 0 331.451 2.346 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001442795079 1097175389 /nfs/dbraw/zinc/17/53/89/1097175389.db2.gz AOFITIARHMNSAB-KRWDZBQOSA-N 2 0 328.460 2.200 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001443190280 1097635311 /nfs/dbraw/zinc/63/53/11/1097635311.db2.gz SAYKBFXWDYZZFA-OALUTQOASA-N 2 0 344.503 2.155 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C/C=C\Cl)C1 ZINC001443348954 1097871215 /nfs/dbraw/zinc/87/12/15/1097871215.db2.gz ZOSICDNOULALPU-PDTSHOSPSA-N 2 0 327.900 2.394 10 0 EEAERP COCc1cccc(CN2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001443480371 1097976783 /nfs/dbraw/zinc/97/67/83/1097976783.db2.gz KSZZTTSHQMSVHT-IBGZPJMESA-N 2 0 345.487 2.008 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001444036272 1098556154 /nfs/dbraw/zinc/55/61/54/1098556154.db2.gz KKSIRQZOFHTAIG-ZIAGYGMSSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@H](C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1)OC ZINC001479501114 1098568301 /nfs/dbraw/zinc/56/83/01/1098568301.db2.gz IRATXWTYCLKJKM-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)c(C)o1 ZINC001444126555 1098662691 /nfs/dbraw/zinc/66/26/91/1098662691.db2.gz VHWGBKKMPPCODC-HKUYNNGSSA-N 2 0 348.491 2.150 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001479689618 1098751631 /nfs/dbraw/zinc/75/16/31/1098751631.db2.gz RWKVVBMPBHCOQA-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCOCC1 ZINC001479738469 1098851258 /nfs/dbraw/zinc/85/12/58/1098851258.db2.gz DGSVUHCXWKRXJP-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1ccccc1F ZINC001479756867 1098910568 /nfs/dbraw/zinc/91/05/68/1098910568.db2.gz FBJGEAFIPUGBIQ-WMZOPIPTSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@@H]1CC[C@@H](C[N@H+](C)CCCNC(=O)c2ccc(C[NH+](C)C)cc2)O1 ZINC001479802615 1099034462 /nfs/dbraw/zinc/03/44/62/1099034462.db2.gz USGUMMHEXLJVOV-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(F)c(F)c1 ZINC001479808568 1099058652 /nfs/dbraw/zinc/05/86/52/1099058652.db2.gz HXSZAVMFCCVHMQ-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC001479880137 1099246918 /nfs/dbraw/zinc/24/69/18/1099246918.db2.gz PBZPCZOARXMGKP-UHFFFAOYSA-N 2 0 333.451 2.392 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001444509300 1099248281 /nfs/dbraw/zinc/24/82/81/1099248281.db2.gz MKQKQFHYEBTDMN-INIZCTEOSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001480049339 1099555826 /nfs/dbraw/zinc/55/58/26/1099555826.db2.gz BICZJXNCGQQXEU-RDTXWAMCSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001444776614 1099679816 /nfs/dbraw/zinc/67/98/16/1099679816.db2.gz AWQRSBBMRZBCOU-QAPCUYQASA-N 2 0 335.467 2.412 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001480122887 1099685590 /nfs/dbraw/zinc/68/55/90/1099685590.db2.gz BMOMNHDIHUEUME-SFHVURJKSA-N 2 0 330.476 2.038 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480166318 1099741282 /nfs/dbraw/zinc/74/12/82/1099741282.db2.gz OKDQBTVBXLACDL-JQFCIGGWSA-N 2 0 325.472 2.093 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001480169454 1099747557 /nfs/dbraw/zinc/74/75/57/1099747557.db2.gz VVDIONGWCGIYFF-ZJOUEHCJSA-N 2 0 341.499 2.342 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c(C)n1 ZINC001444831614 1099781219 /nfs/dbraw/zinc/78/12/19/1099781219.db2.gz XWPLQSOABBDHKU-DNVCBOLYSA-N 2 0 346.519 2.367 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001480238244 1099869975 /nfs/dbraw/zinc/86/99/75/1099869975.db2.gz QHIIQCBUVHTWDI-OXRLHVDVSA-N 2 0 334.291 2.418 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001480239910 1099872556 /nfs/dbraw/zinc/87/25/56/1099872556.db2.gz POVXUDRFKSNNCL-HZSPNIEDSA-N 2 0 335.414 2.296 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001480266896 1099961348 /nfs/dbraw/zinc/96/13/48/1099961348.db2.gz AUAYYFLOXKSWKE-ROUUACIJSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](Cc3ccsc3)C2)C1 ZINC001480267577 1099965102 /nfs/dbraw/zinc/96/51/02/1099965102.db2.gz NWRPODJTZFNCOP-HOTGVXAUSA-N 2 0 335.517 2.418 10 0 EEAERP CN(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001444993142 1100125728 /nfs/dbraw/zinc/12/57/28/1100125728.db2.gz JQTPTLKEUKGLBP-JKSUJKDBSA-N 2 0 343.462 2.439 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001480547896 1100382471 /nfs/dbraw/zinc/38/24/71/1100382471.db2.gz FOWCPDWNEQGRKQ-OAHLLOKOSA-N 2 0 332.492 2.025 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001445148264 1100407755 /nfs/dbraw/zinc/40/77/55/1100407755.db2.gz XCIKDRBSZXJHKN-ZWKOTPCHSA-N 2 0 333.520 2.441 10 0 EEAERP C[C@@H](C[NH2+]CCCCc1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229873 1100786653 /nfs/dbraw/zinc/78/66/53/1100786653.db2.gz MCBFDARHKUOINO-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP COCc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)c1 ZINC001446452882 1100874187 /nfs/dbraw/zinc/87/41/87/1100874187.db2.gz YBCIZVZPQUHWSW-APWZRJJASA-N 2 0 347.503 2.254 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001496375887 1100969154 /nfs/dbraw/zinc/96/91/54/1100969154.db2.gz OSIFHUIHUAYDAK-CRAIPNDOSA-N 2 0 335.467 2.493 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001496432743 1101024465 /nfs/dbraw/zinc/02/44/65/1101024465.db2.gz ZMTHXTSMTPUSPB-GOSISDBHSA-N 2 0 348.466 2.177 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001496496473 1101090123 /nfs/dbraw/zinc/09/01/23/1101090123.db2.gz SALBFKFJCLXWLH-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001495377089 1101095312 /nfs/dbraw/zinc/09/53/12/1101095312.db2.gz CILZEIYCKKQLCK-IAGOWNOFSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001495377683 1101096945 /nfs/dbraw/zinc/09/69/45/1101096945.db2.gz FWMBQGIXWNRQOO-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001446663453 1101186737 /nfs/dbraw/zinc/18/67/37/1101186737.db2.gz PZVKRBYJMJNRMC-HNNXBMFYSA-N 2 0 325.472 2.049 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496644886 1101248276 /nfs/dbraw/zinc/24/82/76/1101248276.db2.gz RRJMAMMVBBPYMU-MOPGFXCFSA-N 2 0 347.503 2.015 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001495734585 1101501463 /nfs/dbraw/zinc/50/14/63/1101501463.db2.gz OULVFOQETMLORX-KBXCAEBGSA-N 2 0 335.467 2.497 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001495813124 1101629879 /nfs/dbraw/zinc/62/98/79/1101629879.db2.gz LMRLDBNCURDNSW-GUYCJALGSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001446956900 1101656653 /nfs/dbraw/zinc/65/66/53/1101656653.db2.gz OLAYFALMVRYMOA-QAQDUYKDSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)CN1CCOC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001447134610 1102053027 /nfs/dbraw/zinc/05/30/27/1102053027.db2.gz DPNKFCPFXNSEJW-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cccnc2)C1 ZINC001496143697 1102130099 /nfs/dbraw/zinc/13/00/99/1102130099.db2.gz FBWMSESFEYPYIZ-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC001447230553 1102247448 /nfs/dbraw/zinc/24/74/48/1102247448.db2.gz PXFWDAKQFYPDPS-CQSZACIVSA-N 2 0 331.451 2.392 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001497322737 1102322634 /nfs/dbraw/zinc/32/26/34/1102322634.db2.gz LRLSMEOVZRONCN-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497329358 1102332661 /nfs/dbraw/zinc/33/26/61/1102332661.db2.gz BDHCKKXGZXOQPL-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](C(=O)N[C@H]1COC2(C[NH+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001447391578 1102581071 /nfs/dbraw/zinc/58/10/71/1102581071.db2.gz ZHRYGSWDGOFILP-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)s1 ZINC001497696970 1102923080 /nfs/dbraw/zinc/92/30/80/1102923080.db2.gz IPNSFOQXYJRMTM-LUQLLCLNSA-N 2 0 348.516 2.230 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2c3ccccc3CC[NH+]2CCCF)C1 ZINC001447704024 1103140612 /nfs/dbraw/zinc/14/06/12/1103140612.db2.gz KDRCEHCBBRYHGC-VQIMIIECSA-N 2 0 347.478 2.403 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001494083747 1103495963 /nfs/dbraw/zinc/49/59/63/1103495963.db2.gz QPNYMHXWYGERNP-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001447922930 1103607673 /nfs/dbraw/zinc/60/76/73/1103607673.db2.gz CZZCMKUARRXACV-SSNWNQLTSA-N 2 0 327.900 2.344 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)C/C=C\c1ccccc1 ZINC001448136452 1104080596 /nfs/dbraw/zinc/08/05/96/1104080596.db2.gz QOYZBDDPSGKYJY-UXHZXRBQSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cc(F)cc(F)c1 ZINC001448137212 1104082807 /nfs/dbraw/zinc/08/28/07/1104082807.db2.gz SRIVYYSOPPTDHU-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494615124 1104198589 /nfs/dbraw/zinc/19/85/89/1104198589.db2.gz NHUBYBQUGMNNBQ-SFHVURJKSA-N 2 0 343.515 2.317 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001494685544 1104273785 /nfs/dbraw/zinc/27/37/85/1104273785.db2.gz LZALYBXGOGEWDZ-YESZJQIVSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc(C[NH+]2CC([C@@H](C)NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001448342565 1104431488 /nfs/dbraw/zinc/43/14/88/1104431488.db2.gz OCDXMRIFDAEWAZ-CABCVRRESA-N 2 0 335.517 2.335 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCOc2ccccc2C)C1 ZINC001494910607 1104544457 /nfs/dbraw/zinc/54/44/57/1104544457.db2.gz ODIVNDVJSFPCRO-SFHVURJKSA-N 2 0 347.503 2.248 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1oc(C)nc1C ZINC001494984179 1104628006 /nfs/dbraw/zinc/62/80/06/1104628006.db2.gz DRLSJUBNXLFLAH-JKSUJKDBSA-N 2 0 336.480 2.149 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC001498064371 1106869184 /nfs/dbraw/zinc/86/91/84/1106869184.db2.gz QKXLXFUPSHTMNV-BBRMVZONSA-N 2 0 338.521 2.166 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001480706724 1106924478 /nfs/dbraw/zinc/92/44/78/1106924478.db2.gz HRCYQHZDCQVINI-JKSUJKDBSA-N 2 0 348.491 2.411 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001480706486 1106924514 /nfs/dbraw/zinc/92/45/14/1106924514.db2.gz FACOCGPIZFVMPT-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323453 1107291564 /nfs/dbraw/zinc/29/15/64/1107291564.db2.gz CISGDBGUKFXEFP-GJZGRUSLSA-N 2 0 327.513 2.111 10 0 EEAERP CN(CCC[NH2+]CCc1c(F)cccc1F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498526320 1107674291 /nfs/dbraw/zinc/67/42/91/1107674291.db2.gz PQNYGUKRQYMGLZ-QGZVFWFLSA-N 2 0 339.430 2.040 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001498557102 1107715898 /nfs/dbraw/zinc/71/58/98/1107715898.db2.gz YTGOFAZRDGVMBU-JKSUJKDBSA-N 2 0 336.480 2.357 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001493253339 1107778644 /nfs/dbraw/zinc/77/86/44/1107778644.db2.gz QLKBKRWPRUHZEL-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493269113 1107818040 /nfs/dbraw/zinc/81/80/40/1107818040.db2.gz XHZGWIUXBSSGRC-AEFFLSMTSA-N 2 0 348.491 2.042 10 0 EEAERP CCCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1nccs1 ZINC001493289944 1107863449 /nfs/dbraw/zinc/86/34/49/1107863449.db2.gz DKPOUHMSWBJEEN-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001498781187 1108091203 /nfs/dbraw/zinc/09/12/03/1108091203.db2.gz LUQROJSEFVUQIU-RTBURBONSA-N 2 0 329.488 2.198 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001498819576 1108162566 /nfs/dbraw/zinc/16/25/66/1108162566.db2.gz VIBMSDRIRHGCQZ-UKRRQHHQSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001498819579 1108162695 /nfs/dbraw/zinc/16/26/95/1108162695.db2.gz VIBMSDRIRHGCQZ-ZFWWWQNUSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC001498820201 1108163891 /nfs/dbraw/zinc/16/38/91/1108163891.db2.gz ZHVFZPLDWWBSQH-SFHVURJKSA-N 2 0 340.471 2.171 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001493551288 1108299977 /nfs/dbraw/zinc/29/99/77/1108299977.db2.gz OTWAQHVMWFENNT-NZSAHSFTSA-N 2 0 343.515 2.495 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)N1CC([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC001455796185 1108896975 /nfs/dbraw/zinc/89/69/75/1108896975.db2.gz QGSIMUSNCSUUIS-IBGZPJMESA-N 2 0 345.487 2.049 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCc3ccccc3F)C2)C1 ZINC001479338551 1110683115 /nfs/dbraw/zinc/68/31/15/1110683115.db2.gz XUAHCKKIRBRBPO-NUJGCVRESA-N 2 0 347.478 2.194 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001499266646 1112208202 /nfs/dbraw/zinc/20/82/02/1112208202.db2.gz IDHGQNUJMDXOKM-MAUKXSAKSA-N 2 0 345.487 2.479 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001500097640 1112615572 /nfs/dbraw/zinc/61/55/72/1112615572.db2.gz YTUDBGIRBKPJHZ-ASQNPNNHSA-N 2 0 327.900 2.488 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCOC)[NH+](C)C ZINC001500152502 1112640562 /nfs/dbraw/zinc/64/05/62/1112640562.db2.gz XYKPUAPRVQBLLM-SQNIBIBYSA-N 2 0 339.524 2.209 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cncc(C)c2)C1 ZINC001501146060 1113214675 /nfs/dbraw/zinc/21/46/75/1113214675.db2.gz IQHQSOMZSTUSKV-MJGOQNOKSA-N 2 0 346.519 2.306 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001501650662 1113415554 /nfs/dbraw/zinc/41/55/54/1113415554.db2.gz HSEVGRAOWZDQPR-GOSISDBHSA-N 2 0 344.503 2.286 10 0 EEAERP CO[C@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001501682126 1113432729 /nfs/dbraw/zinc/43/27/29/1113432729.db2.gz YIZHRWGUNYSGQG-HZPDHXFCSA-N 2 0 333.476 2.084 10 0 EEAERP CCOCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001501968308 1113541503 /nfs/dbraw/zinc/54/15/03/1113541503.db2.gz LPCZEKDZKIPWMK-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC001502805470 1113805901 /nfs/dbraw/zinc/80/59/01/1113805901.db2.gz HZQWHFLWHDRGHN-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681208 1114128044 /nfs/dbraw/zinc/12/80/44/1114128044.db2.gz KNSWMVBAQZSFQA-KGLIPLIRSA-N 2 0 344.459 2.152 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCc1ccccc1 ZINC001505920834 1114277036 /nfs/dbraw/zinc/27/70/36/1114277036.db2.gz UPIQYZDWYWYJJV-LPHOPBHVSA-N 2 0 329.488 2.007 10 0 EEAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001505961095 1114302221 /nfs/dbraw/zinc/30/22/21/1114302221.db2.gz GKZRADMFTNZERF-HNNXBMFYSA-N 2 0 329.448 2.364 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCc1ccccc1Cl ZINC001506056438 1114381378 /nfs/dbraw/zinc/38/13/78/1114381378.db2.gz HAIRBUOETRNXED-ZBFHGGJFSA-N 2 0 337.895 2.271 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCOc2ccccc2)CC1(C)C ZINC001506751393 1114864593 /nfs/dbraw/zinc/86/45/93/1114864593.db2.gz UWJNLETTWWRIRM-SFHVURJKSA-N 2 0 347.503 2.234 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001506879443 1114946729 /nfs/dbraw/zinc/94/67/29/1114946729.db2.gz YKWJDGIPRMLKEV-ULQDDVLXSA-N 2 0 335.517 2.259 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1)[NH+](C)C ZINC001507026268 1115063998 /nfs/dbraw/zinc/06/39/98/1115063998.db2.gz BADXVAYIHQKMEW-QWHCGFSZSA-N 2 0 336.307 2.472 10 0 EEAERP COCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507318037 1115189669 /nfs/dbraw/zinc/18/96/69/1115189669.db2.gz GLLQKSWJIMWIEG-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2C)C[C@H]1C ZINC001507334580 1115198496 /nfs/dbraw/zinc/19/84/96/1115198496.db2.gz VPYFFGGSGGVWPM-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@@H]2CCCCO2)CC3)CC1 ZINC001507348554 1115211212 /nfs/dbraw/zinc/21/12/12/1115211212.db2.gz ONQMDGJPAJEHHP-QKLQHJQFSA-N 2 0 349.519 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3coc(C)n3)[C@H]2C1 ZINC001507361463 1115221916 /nfs/dbraw/zinc/22/19/16/1115221916.db2.gz BNKDEDACNHDGJB-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]2C1 ZINC001507362863 1115223198 /nfs/dbraw/zinc/22/31/98/1115223198.db2.gz SGTFXCUUOMXSHT-MJBXVCDLSA-N 2 0 348.318 2.474 10 0 EEAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCC1CCC1 ZINC001507449580 1115275731 /nfs/dbraw/zinc/27/57/31/1115275731.db2.gz HPZRYGPUGJRUOI-QGZVFWFLSA-N 2 0 333.520 2.489 10 0 EEAERP COc1ccc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC2(C)C)cc1 ZINC001507454118 1115279311 /nfs/dbraw/zinc/27/93/11/1115279311.db2.gz RXOWJZZGYPNGNN-SFHVURJKSA-N 2 0 347.503 2.362 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001507963998 1115381508 /nfs/dbraw/zinc/38/15/08/1115381508.db2.gz VBAVESGTHQCQBM-KGLIPLIRSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508033725 1115396579 /nfs/dbraw/zinc/39/65/79/1115396579.db2.gz BJXDUXXBMHOKHO-JKSUJKDBSA-N 2 0 341.540 2.262 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccccc2F)CC1 ZINC001508082108 1115415247 /nfs/dbraw/zinc/41/52/47/1115415247.db2.gz BUXRAXYYMFWHKF-HNNXBMFYSA-N 2 0 335.467 2.494 10 0 EEAERP CO[C@@H](C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC001508230687 1115455376 /nfs/dbraw/zinc/45/53/76/1115455376.db2.gz SDSZWUZZNMLQDO-IBGZPJMESA-N 2 0 349.519 2.036 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001568008893 1124228379 /nfs/dbraw/zinc/22/83/79/1124228379.db2.gz XOJHRLLUDRZLSG-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001568027625 1124237034 /nfs/dbraw/zinc/23/70/34/1124237034.db2.gz FLHJWDUAYANONK-SWLSCSKDSA-N 2 0 335.414 2.155 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC001568098547 1124302067 /nfs/dbraw/zinc/30/20/67/1124302067.db2.gz GKVBUBILXGCLNL-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568385914 1124456090 /nfs/dbraw/zinc/45/60/90/1124456090.db2.gz QJDSXVOEWZMTKN-ZTFGCOKTSA-N 2 0 348.491 2.184 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCCCF)C1 ZINC001568515740 1124579149 /nfs/dbraw/zinc/57/91/49/1124579149.db2.gz OKBXAKFKTZNTGH-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568642786 1124655207 /nfs/dbraw/zinc/65/52/07/1124655207.db2.gz UAVCULCMFWCQEP-CRAIPNDOSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001568672491 1124685779 /nfs/dbraw/zinc/68/57/79/1124685779.db2.gz MQFFZYCWLDUUQW-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568685275 1124697270 /nfs/dbraw/zinc/69/72/70/1124697270.db2.gz TZOWIHJENZBXLM-GOEBONIOSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568713645 1124731540 /nfs/dbraw/zinc/73/15/40/1124731540.db2.gz HQZRUGARPRINDC-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568751819 1124766301 /nfs/dbraw/zinc/76/63/01/1124766301.db2.gz UXXVYAPGSHMEHL-SJLPKXTDSA-N 2 0 348.491 2.192 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568754639 1124769650 /nfs/dbraw/zinc/76/96/50/1124769650.db2.gz WHCCNZDWOOWNMH-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568865665 1124891340 /nfs/dbraw/zinc/89/13/40/1124891340.db2.gz IQYUQPFMFILCKK-WAVCKPEOSA-N 2 0 338.521 2.108 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568952254 1124987047 /nfs/dbraw/zinc/98/70/47/1124987047.db2.gz VXMFAKISUQFBCU-RCAFFNEUSA-N 2 0 340.471 2.272 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001568964145 1125000193 /nfs/dbraw/zinc/00/01/93/1125000193.db2.gz PJAWXWOYJDLPLB-UKVPQWCUSA-N 2 0 331.435 2.027 10 0 EEAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001569221629 1125176421 /nfs/dbraw/zinc/17/64/21/1125176421.db2.gz WCZCLDAEOMFXAB-CQSZACIVSA-N 2 0 333.411 2.067 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569231664 1125182039 /nfs/dbraw/zinc/18/20/39/1125182039.db2.gz VJKWTVZODLIKIF-INIZCTEOSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001569257622 1125199353 /nfs/dbraw/zinc/19/93/53/1125199353.db2.gz JWZOGCKFRNQWJO-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001569339955 1125240270 /nfs/dbraw/zinc/24/02/70/1125240270.db2.gz HEPCTIJMFDFBIX-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000166719254 539544517 /nfs/dbraw/zinc/54/45/17/539544517.db2.gz YHVNSDKFYXQYKR-RBUKOAKNSA-N 3 0 334.552 2.153 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000103608589 219316575 /nfs/dbraw/zinc/31/65/75/219316575.db2.gz JWPHVJTUMACXOG-LJQANCHMSA-N 2 0 346.519 2.143 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000183473016 235096733 /nfs/dbraw/zinc/09/67/33/235096733.db2.gz CXUQPNMXIMXKHG-UHFFFAOYSA-N 2 0 342.443 2.018 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422886711 240274473 /nfs/dbraw/zinc/27/44/73/240274473.db2.gz JRRNOYRSJPIACX-BWPNAZKDSA-N 3 0 333.520 2.487 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423054241 240344063 /nfs/dbraw/zinc/34/40/63/240344063.db2.gz BNVXQIHHYCSYEG-HNNXBMFYSA-N 2 0 325.884 2.042 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000229453738 242166435 /nfs/dbraw/zinc/16/64/35/242166435.db2.gz MLYXPVVKYUHWFN-FZKQIMNGSA-N 2 0 342.430 2.023 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751579 242219137 /nfs/dbraw/zinc/21/91/37/242219137.db2.gz LJPHJYNUOCEGBE-VQIMIIECSA-N 2 0 343.475 2.350 10 0 EEAERP CC(C)[NH+](CCNC(=O)c1ccccc1OCC[NH+](C)C)C(C)C ZINC000078373164 217044161 /nfs/dbraw/zinc/04/41/61/217044161.db2.gz HRDOPOKFHOFESH-UHFFFAOYSA-N 2 0 335.492 2.476 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000079688994 217248954 /nfs/dbraw/zinc/24/89/54/217248954.db2.gz UNTCRQUAOIKUQF-SJORKVTESA-N 2 0 326.529 2.384 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000266638339 248392753 /nfs/dbraw/zinc/39/27/53/248392753.db2.gz BGZWHMGVWRDBCX-NZSAHSFTSA-N 2 0 344.503 2.385 10 0 EEAERP CCCCNC(=O)CN1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195262135 256008103 /nfs/dbraw/zinc/00/81/03/256008103.db2.gz FYLYAUKEARPNKP-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000241262007 258000893 /nfs/dbraw/zinc/00/08/93/258000893.db2.gz LANGEQYHGIRZFN-CJNGLKHVSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000074714422 292176780 /nfs/dbraw/zinc/17/67/80/292176780.db2.gz JMLYYZMOBAUILN-SFHVURJKSA-N 2 0 338.540 2.482 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000248585972 160350931 /nfs/dbraw/zinc/35/09/31/160350931.db2.gz QADCFJMMXHFETI-XLIONFOSSA-N 2 0 334.504 2.005 10 0 EEAERP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000377252159 154105888 /nfs/dbraw/zinc/10/58/88/154105888.db2.gz BLZJXIHTKQXRFR-YJBOKZPZSA-N 2 0 330.476 2.167 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128723516 292346263 /nfs/dbraw/zinc/34/62/63/292346263.db2.gz VOMXXISUIWPPER-KURKYZTESA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)[C@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000193639710 160184757 /nfs/dbraw/zinc/18/47/57/160184757.db2.gz ORSCVRRINCWESJ-OTWHNJEPSA-N 2 0 329.488 2.036 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194077209 160190512 /nfs/dbraw/zinc/19/05/12/160190512.db2.gz GQXGUDMJJYCMDD-RBUKOAKNSA-N 2 0 344.503 2.292 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429155 160234591 /nfs/dbraw/zinc/23/45/91/160234591.db2.gz MXNCCQLXVAHCKD-YOEHRIQHSA-N 2 0 347.459 2.074 10 0 EEAERP Cc1ccc(CN(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108460 160310088 /nfs/dbraw/zinc/31/00/88/160310088.db2.gz YFZVDGDJYHDHHI-WMLDXEAASA-N 2 0 333.476 2.494 10 0 EEAERP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1 ZINC000343437488 161135809 /nfs/dbraw/zinc/13/58/09/161135809.db2.gz MUVPNCUMWOTPKD-KBXCAEBGSA-N 2 0 329.448 2.002 10 0 EEAERP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000359000954 164033301 /nfs/dbraw/zinc/03/33/01/164033301.db2.gz LJFIGFDICDDBKZ-IBGZPJMESA-N 2 0 326.444 2.032 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]2CCC[C@@H]21 ZINC000376729197 167382530 /nfs/dbraw/zinc/38/25/30/167382530.db2.gz NFQVLZZFMDWSKM-KKUMJFAQSA-N 2 0 341.297 2.498 10 0 EEAERP Cc1cccc2nc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cn21 ZINC000171589003 227159033 /nfs/dbraw/zinc/15/90/33/227159033.db2.gz YIEQOAKLWVOYDL-MRXNPFEDSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000272688822 269009647 /nfs/dbraw/zinc/00/96/47/269009647.db2.gz BYOZGJHRYANZDV-LPHOPBHVSA-N 2 0 344.503 2.109 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000278434956 269231483 /nfs/dbraw/zinc/23/14/83/269231483.db2.gz JUMGXACFBUGGRX-AZUAARDMSA-N 2 0 343.515 2.351 10 0 EEAERP Cc1cccn2cc(CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)nc12 ZINC000290816621 275242927 /nfs/dbraw/zinc/24/29/27/275242927.db2.gz OHHRAABNMDANKM-GOSISDBHSA-N 2 0 332.423 2.471 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000291721035 275333490 /nfs/dbraw/zinc/33/34/90/275333490.db2.gz BFJCJMFNPXTVCO-LJQANCHMSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@H]1C[C@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000349342053 288351594 /nfs/dbraw/zinc/35/15/94/288351594.db2.gz CWZANXSOKSIVLQ-QDSUGMFFSA-N 2 0 335.536 2.434 10 0 EEAERP C[NH+](C)CCn1nccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000294199813 293394232 /nfs/dbraw/zinc/39/42/32/293394232.db2.gz UWUGCXJGRBRSIQ-UHFFFAOYSA-N 2 0 341.459 2.293 10 0 EEAERP CC1(C)CC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC(C)(C)[NH2+]1 ZINC000296874160 294090399 /nfs/dbraw/zinc/09/03/99/294090399.db2.gz AKZGJXZDSYGPAO-UHFFFAOYSA-N 2 0 329.448 2.443 10 0 EEAERP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000297703373 294319134 /nfs/dbraw/zinc/31/91/34/294319134.db2.gz XPUCWSWRMIPSHV-HUUCEWRRSA-N 2 0 329.448 2.254 10 0 EEAERP c1ncn(-c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)n1 ZINC000298592100 294536675 /nfs/dbraw/zinc/53/66/75/294536675.db2.gz YNXIIQIBAQXXBC-UHFFFAOYSA-N 2 0 334.427 2.421 10 0 EEAERP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1[NH3+] ZINC000333133977 312098098 /nfs/dbraw/zinc/09/80/98/312098098.db2.gz CBUWZATZQRKEOY-BYUNMRKYSA-N 2 0 342.487 2.171 10 0 EEAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416792030 313317560 /nfs/dbraw/zinc/31/75/60/313317560.db2.gz XOEHNODCDZPIOO-OALUTQOASA-N 2 0 342.487 2.359 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416882491 313347493 /nfs/dbraw/zinc/34/74/93/313347493.db2.gz ABFFRNQGZZVAHC-LPHOPBHVSA-N 2 0 344.503 2.470 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000417636374 313552763 /nfs/dbraw/zinc/55/27/63/313552763.db2.gz XRRIALPOPSQUNB-VYDXJSESSA-N 2 0 332.492 2.413 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(N(C)C)CC2)CC1 ZINC000418119040 313718205 /nfs/dbraw/zinc/71/82/05/313718205.db2.gz WYONFRMSPILSDG-UHFFFAOYSA-N 2 0 330.520 2.402 10 0 EEAERP COc1ccccc1C(C)(C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000439782715 315095974 /nfs/dbraw/zinc/09/59/74/315095974.db2.gz RZJPHYXVBNLIOS-UHFFFAOYSA-N 2 0 345.487 2.263 10 0 EEAERP C[NH+](C)CCN(C(=O)N1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000445043058 315339426 /nfs/dbraw/zinc/33/94/26/315339426.db2.gz VMMDXWUVBKVBPI-UHFFFAOYSA-N 2 0 330.476 2.127 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000448471770 315371594 /nfs/dbraw/zinc/37/15/94/315371594.db2.gz MDUUPMVILFAPMI-AEFFLSMTSA-N 2 0 336.524 2.233 10 0 EEAERP CCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C12CCC2 ZINC000538546748 318037328 /nfs/dbraw/zinc/03/73/28/318037328.db2.gz QCZPMZBWSJBYHN-BBWFWOEESA-N 2 0 339.524 2.016 10 0 EEAERP CN(Cc1nccn1C)C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000574951078 320073064 /nfs/dbraw/zinc/07/30/64/320073064.db2.gz MSCJLGNOLUSPFJ-UHFFFAOYSA-N 2 0 346.341 2.211 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000578220685 320301608 /nfs/dbraw/zinc/30/16/08/320301608.db2.gz YTTPYBLNFCLWEU-UHFFFAOYSA-N 2 0 329.448 2.192 10 0 EEAERP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000579223333 323803676 /nfs/dbraw/zinc/80/36/76/323803676.db2.gz YBWQMWZYKYHWHC-FGTMMUONSA-N 2 0 325.541 2.037 10 0 EEAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000580312128 324036700 /nfs/dbraw/zinc/03/67/00/324036700.db2.gz OTYVFIFZJQQWDP-GBESFXJTSA-N 2 0 340.471 2.427 10 0 EEAERP CCO[C@@H](C)c1noc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000580455483 324067917 /nfs/dbraw/zinc/06/79/17/324067917.db2.gz IHFYLKSBSDWOSD-ZDUSSCGKSA-N 2 0 330.432 2.445 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580548718 324084663 /nfs/dbraw/zinc/08/46/63/324084663.db2.gz FCHJKBCYXYZUHH-GJYPPUQNSA-N 2 0 344.503 2.375 10 0 EEAERP C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000125565800 463557974 /nfs/dbraw/zinc/55/79/74/463557974.db2.gz WNGBGUMLISSPLD-QFBILLFUSA-N 2 0 336.476 2.067 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)CCCN2 ZINC000327339106 465051281 /nfs/dbraw/zinc/05/12/81/465051281.db2.gz BBPBWLICEGTGEY-UHFFFAOYSA-N 2 0 346.519 2.390 10 0 EEAERP CCC[N@H+](CCC(=O)N(C)C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000358438546 465122920 /nfs/dbraw/zinc/12/29/20/465122920.db2.gz GRQMHUFYWHPMOB-UHFFFAOYSA-N 2 0 347.507 2.253 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)CC(C)(C)C)C1 ZINC000077183432 462948898 /nfs/dbraw/zinc/94/88/98/462948898.db2.gz JPQSWUMSAVAQTH-MRXNPFEDSA-N 2 0 341.540 2.264 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000052518947 463084127 /nfs/dbraw/zinc/08/41/27/463084127.db2.gz HPFTXMVQRDSYNB-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP CC[NH+]1CCN(CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000071819568 463430133 /nfs/dbraw/zinc/43/01/33/463430133.db2.gz SCZXVHXNHDEPLL-UHFFFAOYSA-N 2 0 347.894 2.457 10 0 EEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3ccccc3F)CC2)C1 ZINC000106120710 463505408 /nfs/dbraw/zinc/50/54/08/463505408.db2.gz QBXYXXOKPAKRLG-SFHVURJKSA-N 2 0 335.467 2.053 10 0 EEAERP C[NH+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000042922528 463606342 /nfs/dbraw/zinc/60/63/42/463606342.db2.gz UDHUBRHCNXKEBC-UHFFFAOYSA-N 2 0 332.492 2.423 10 0 EEAERP COC[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000151946896 463619204 /nfs/dbraw/zinc/61/92/04/463619204.db2.gz CAUGQRDSOHACCP-PMACEKPBSA-N 2 0 332.488 2.447 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000073722131 463648769 /nfs/dbraw/zinc/64/87/69/463648769.db2.gz OKXIGNLZDBOCAO-QGZVFWFLSA-N 2 0 326.529 2.384 10 0 EEAERP O=C(C[C@@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000168786985 463667792 /nfs/dbraw/zinc/66/77/92/463667792.db2.gz XARLYRDVXPJYRG-QBUWPKIASA-N 2 0 327.472 2.440 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000152372118 463681329 /nfs/dbraw/zinc/68/13/29/463681329.db2.gz KIQVRCJGQJIKJZ-GOSISDBHSA-N 2 0 338.540 2.480 10 0 EEAERP Cc1cccn2c(=O)cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc12 ZINC000171389400 463854747 /nfs/dbraw/zinc/85/47/47/463854747.db2.gz XZSGXWPZNAEUAM-UHFFFAOYSA-N 2 0 340.471 2.311 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261869670 463883859 /nfs/dbraw/zinc/88/38/59/463883859.db2.gz NXSNFTWSGXJCDN-AEFFLSMTSA-N 2 0 345.487 2.006 10 0 EEAERP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000262030713 463929691 /nfs/dbraw/zinc/92/96/91/463929691.db2.gz NZPWEEPRFSCMTB-FQEVSTJZSA-N 3 0 336.568 2.114 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000186215446 463953137 /nfs/dbraw/zinc/95/31/37/463953137.db2.gz HHEFGYCKQWAMEW-GOSISDBHSA-N 2 0 332.492 2.244 10 0 EEAERP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516259 464063719 /nfs/dbraw/zinc/06/37/19/464063719.db2.gz CTGOLCDSPVLOEG-IAGOWNOFSA-N 2 0 348.491 2.055 10 0 EEAERP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)cc1F ZINC000237293038 464298932 /nfs/dbraw/zinc/29/89/32/464298932.db2.gz OWTKMICERCIWAT-RDJZCZTQSA-N 2 0 349.450 2.042 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000591078417 468403810 /nfs/dbraw/zinc/40/38/10/468403810.db2.gz JKVREKNAVVMJCU-SFHVURJKSA-N 2 0 343.475 2.466 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000245560107 464495377 /nfs/dbraw/zinc/49/53/77/464495377.db2.gz WKXBQUDCUZPJKO-QUCCMNQESA-N 2 0 345.487 2.429 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245674748 464504879 /nfs/dbraw/zinc/50/48/79/464504879.db2.gz SWQGUKJHJYRKEB-MSOLQXFVSA-N 2 0 332.492 2.463 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CCCCC1 ZINC000246537452 464596600 /nfs/dbraw/zinc/59/66/00/464596600.db2.gz XDQPBHZBHAWENF-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000579833840 468420780 /nfs/dbraw/zinc/42/07/80/468420780.db2.gz ISVWQDPUIPSIRX-GOSISDBHSA-N 2 0 330.476 2.127 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Cc3nccn3C)CC2)CC1 ZINC000192735575 464987554 /nfs/dbraw/zinc/98/75/54/464987554.db2.gz XWXWQVSODZVJLR-UHFFFAOYSA-N 2 0 347.551 2.091 10 0 EEAERP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384027 465695628 /nfs/dbraw/zinc/69/56/28/465695628.db2.gz CQCUBJBXBQLLMV-IAGOWNOFSA-N 2 0 339.549 2.335 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366429918 465722280 /nfs/dbraw/zinc/72/22/80/465722280.db2.gz LTIFMPIUGFBPSO-ZDUSSCGKSA-N 2 0 331.391 2.293 10 0 EEAERP CN(C(=O)[C@H]1CCCN1Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361774987 466277890 /nfs/dbraw/zinc/27/78/90/466277890.db2.gz ZTHNFLICRXBMDF-RTBURBONSA-N 2 0 345.462 2.485 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000358181223 466519031 /nfs/dbraw/zinc/51/90/31/466519031.db2.gz CKRQHXKYQIDKAN-GOSISDBHSA-N 2 0 330.476 2.241 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000354503717 466615500 /nfs/dbraw/zinc/61/55/00/466615500.db2.gz HCPLHGFVYDAQDC-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[C@@H](C)O1 ZINC000368452665 466640972 /nfs/dbraw/zinc/64/09/72/466640972.db2.gz DEVLRVIQSGBVFK-HZPDHXFCSA-N 2 0 343.475 2.451 10 0 EEAERP CC1(C)OC[C@@H](C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)O1 ZINC000408521990 466677037 /nfs/dbraw/zinc/67/70/37/466677037.db2.gz BJLZHTDIEVSNSN-HZPDHXFCSA-N 2 0 347.459 2.286 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417048174 466764024 /nfs/dbraw/zinc/76/40/24/466764024.db2.gz RCEPRDXRBCIZID-MJGOQNOKSA-N 2 0 336.524 2.426 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417048173 466764039 /nfs/dbraw/zinc/76/40/39/466764039.db2.gz RCEPRDXRBCIZID-IEBWSBKVSA-N 2 0 336.524 2.426 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000417176284 466795808 /nfs/dbraw/zinc/79/58/08/466795808.db2.gz NQQVKVASENTCFM-JZXOWHBKSA-N 2 0 348.466 2.069 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417221160 466806936 /nfs/dbraw/zinc/80/69/36/466806936.db2.gz NKIFULHNYQWKAR-XGXHKWSGSA-N 2 0 342.487 2.215 10 0 EEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417655700 466899968 /nfs/dbraw/zinc/89/99/68/466899968.db2.gz FOELXWKPEOYTSF-QGZVFWFLSA-N 2 0 338.471 2.402 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417705963 466913138 /nfs/dbraw/zinc/91/31/38/466913138.db2.gz MMJPLYYAHCOFPP-HDICACEKSA-N 2 0 336.524 2.284 10 0 EEAERP [NH3+][C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000417814427 466942992 /nfs/dbraw/zinc/94/29/92/466942992.db2.gz AYBDDGRZUJPJHD-SFHVURJKSA-N 2 0 330.476 2.393 10 0 EEAERP C[C@@H](CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417816956 466943996 /nfs/dbraw/zinc/94/39/96/466943996.db2.gz QRPCMSBDKMEVJD-RYRKJORJSA-N 2 0 332.492 2.194 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000417951509 467000011 /nfs/dbraw/zinc/00/00/11/467000011.db2.gz WZPZVBHLSSCPCJ-QZTJIDSGSA-N 2 0 342.487 2.217 10 0 EEAERP CCN1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004300 467019510 /nfs/dbraw/zinc/01/95/10/467019510.db2.gz YVHFPAIAPUMSSO-VCTAVGKDSA-N 2 0 342.846 2.261 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418021549 467026203 /nfs/dbraw/zinc/02/62/03/467026203.db2.gz JMNIADQZWUDWSH-SFHVURJKSA-N 2 0 330.476 2.418 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418138568 467056636 /nfs/dbraw/zinc/05/66/36/467056636.db2.gz GMACNJGNTVCFEW-QZTJIDSGSA-N 2 0 334.508 2.319 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418180776 467067052 /nfs/dbraw/zinc/06/70/52/467067052.db2.gz KTBBKCOAOFWMFQ-QGTPRVQTSA-N 2 0 330.476 2.214 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000418264960 467086163 /nfs/dbraw/zinc/08/61/63/467086163.db2.gz NCEQCVFMBXUOOT-UHFFFAOYSA-N 2 0 344.503 2.216 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418769037 467157712 /nfs/dbraw/zinc/15/77/12/467157712.db2.gz PGABOWWRCKCLNV-UHFFFAOYSA-N 2 0 336.524 2.123 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420302940 467345638 /nfs/dbraw/zinc/34/56/38/467345638.db2.gz MTUBJCWQNWRXDN-ZIAGYGMSSA-N 2 0 335.414 2.109 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000429819713 467372933 /nfs/dbraw/zinc/37/29/33/467372933.db2.gz VHROZOCNTJNFAP-KFWWJZLASA-N 2 0 349.441 2.449 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453131870 467462395 /nfs/dbraw/zinc/46/23/95/467462395.db2.gz ULBOAFSXFXHREP-HNNXBMFYSA-N 2 0 328.460 2.194 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@@]1(C)C[NH3+] ZINC000415059568 467478618 /nfs/dbraw/zinc/47/86/18/467478618.db2.gz YNISJFICOMRKRD-FOIQADDNSA-N 2 0 345.487 2.008 10 0 EEAERP CCN1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000453369771 467483561 /nfs/dbraw/zinc/48/35/61/467483561.db2.gz STDMCNPWWYEISY-OKYOBFRVSA-N 2 0 327.472 2.392 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)[C@@H](C)C1 ZINC000436296146 467527289 /nfs/dbraw/zinc/52/72/89/467527289.db2.gz IRCPDLVUUUEIAF-XWTMOSNGSA-N 2 0 340.508 2.445 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000439213652 467566791 /nfs/dbraw/zinc/56/67/91/467566791.db2.gz MDZSKZJJNODPEF-JZXOWHBKSA-N 2 0 339.524 2.159 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529307758 467843803 /nfs/dbraw/zinc/84/38/03/467843803.db2.gz RMNKITMQUDCYRM-HOTGVXAUSA-N 2 0 336.524 2.471 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909196 468054231 /nfs/dbraw/zinc/05/42/31/468054231.db2.gz HIZOVMUXGOGCLL-HOCLYGCPSA-N 2 0 345.487 2.414 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000592965722 468829276 /nfs/dbraw/zinc/82/92/76/468829276.db2.gz CTZBVBVVEXQOAN-QGZVFWFLSA-N 2 0 335.517 2.146 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573134521 469069230 /nfs/dbraw/zinc/06/92/30/469069230.db2.gz MCZVSVOJNITFLN-IEBWSBKVSA-N 2 0 329.488 2.499 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808926 469079776 /nfs/dbraw/zinc/07/97/76/469079776.db2.gz ZFXKOXJEZXMPLP-CTNGQTDRSA-N 2 0 337.467 2.296 10 0 EEAERP COC(=O)c1cnc([C@H]2CCC[N@H+](CCCn3ccnc3)C2)s1 ZINC000595921773 469085624 /nfs/dbraw/zinc/08/56/24/469085624.db2.gz XLYMGSMBMVCORY-ZDUSSCGKSA-N 2 0 334.445 2.396 10 0 EEAERP C[C@@H](CCN1CC[C@H](OC(F)F)C1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000573508386 469149388 /nfs/dbraw/zinc/14/93/88/469149388.db2.gz ODOHZPAGLMWEDP-SRVKXCTJSA-N 2 0 328.350 2.392 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000625834068 469404792 /nfs/dbraw/zinc/40/47/92/469404792.db2.gz HEKZVOFGHYYULM-HZPDHXFCSA-N 2 0 345.491 2.009 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625837238 469405920 /nfs/dbraw/zinc/40/59/20/469405920.db2.gz QKNDSHQOBVNLPX-LJQANCHMSA-N 2 0 325.541 2.323 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000625862921 469415156 /nfs/dbraw/zinc/41/51/56/469415156.db2.gz WPZFFKOEWLKFDD-CABCVRRESA-N 2 0 334.464 2.197 10 0 EEAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCOCCC[NH3+] ZINC000629399534 469531918 /nfs/dbraw/zinc/53/19/18/469531918.db2.gz UADLVSPVMQZNQH-NSHDSACASA-N 2 0 333.245 2.474 10 0 EEAERP COc1ccccc1N1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445423 469658903 /nfs/dbraw/zinc/65/89/03/469658903.db2.gz QVEWCZSCLGOFKK-CABCVRRESA-N 2 0 331.460 2.263 10 0 EEAERP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000623601412 469707819 /nfs/dbraw/zinc/70/78/19/469707819.db2.gz CJDWFCQPGILEBU-RYRKJORJSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721012 469744527 /nfs/dbraw/zinc/74/45/27/469744527.db2.gz FCBBCLKLLJDRNF-SJLPKXTDSA-N 2 0 336.524 2.423 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626931972 469759923 /nfs/dbraw/zinc/75/99/23/469759923.db2.gz ORWGEIITWTWPFR-YJBOKZPZSA-N 2 0 332.492 2.467 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000626952147 469767894 /nfs/dbraw/zinc/76/78/94/469767894.db2.gz BIGRVNOPEOKORN-GOEBONIOSA-N 2 0 334.464 2.246 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC000627195884 469840671 /nfs/dbraw/zinc/84/06/71/469840671.db2.gz FQFFWEIXQJFXEZ-OKZBNKHCSA-N 2 0 336.524 2.280 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624132615 469850935 /nfs/dbraw/zinc/85/09/35/469850935.db2.gz UPZHUAOAROKKPX-LTFXXXRZSA-N 2 0 327.472 2.141 10 0 EEAERP c1ccc2c(NC[C@@H]3CN(Cc4ccncc4)CCO3)cc[nH+]c2c1 ZINC000624706592 470006141 /nfs/dbraw/zinc/00/61/41/470006141.db2.gz NTJLBUHMMLRKIA-QGZVFWFLSA-N 2 0 334.423 2.365 10 0 EEAERP Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000628051094 470047632 /nfs/dbraw/zinc/04/76/32/470047632.db2.gz VRUZNEXIEUKNIV-YTQUADARSA-N 2 0 331.504 2.487 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1 ZINC000628373581 470100082 /nfs/dbraw/zinc/10/00/82/470100082.db2.gz BDIXJSVYRMATJC-HXUWFJFHSA-N 2 0 344.455 2.330 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C[C@@H]1C[NH2+]CCO1 ZINC000621783424 470107314 /nfs/dbraw/zinc/10/73/14/470107314.db2.gz BDIDEIDAHWIFJN-SFHVURJKSA-N 2 0 331.504 2.350 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000625286488 470112061 /nfs/dbraw/zinc/11/20/61/470112061.db2.gz HIOBHDGTQFCAIW-BPQIPLTHSA-N 2 0 349.906 2.178 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCCCCC1 ZINC000634047440 470215494 /nfs/dbraw/zinc/21/54/94/470215494.db2.gz FIEQZOJKWRJEBS-IRXDYDNUSA-N 2 0 336.524 2.459 10 0 EEAERP O[C@@]1(CNC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC000634722269 470286407 /nfs/dbraw/zinc/28/64/07/470286407.db2.gz MOGBWHRDKDXDBH-LEWJYISDSA-N 2 0 343.515 2.230 10 0 EEAERP CCN(C(=O)NC/C=C\C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000641869649 470505286 /nfs/dbraw/zinc/50/52/86/470505286.db2.gz DVJGSCXLWYPXEK-UGKULVSSSA-N 2 0 330.476 2.368 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000647532178 470923996 /nfs/dbraw/zinc/92/39/96/470923996.db2.gz CCJHPISJUFXTGL-KDURUIRLSA-N 2 0 329.488 2.488 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650747285 470957152 /nfs/dbraw/zinc/95/71/52/470957152.db2.gz WPJISJNQHTXJFU-KRWDZBQOSA-N 2 0 329.448 2.137 10 0 EEAERP COC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638131298 470979484 /nfs/dbraw/zinc/97/94/84/470979484.db2.gz LFFGJTUPJMOXJI-YLJYHZDGSA-N 2 0 347.503 2.172 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1C ZINC000647799425 470986842 /nfs/dbraw/zinc/98/68/42/470986842.db2.gz GHYICINNALLYIK-MJQMVNBJSA-N 2 0 347.478 2.017 10 0 EEAERP c1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000638355134 471055403 /nfs/dbraw/zinc/05/54/03/471055403.db2.gz FZVNMNOJHCXRLW-UHFFFAOYSA-N 2 0 330.501 2.441 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cnc3ccc(Br)cn23)C1 ZINC000644840525 471061611 /nfs/dbraw/zinc/06/16/11/471061611.db2.gz LAAPVKVMAHIELU-FZMZJTMJSA-N 2 0 335.249 2.233 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1c(C2CCC2)cnn1C)N1CC[NH+](C)CC1 ZINC000657303930 471091691 /nfs/dbraw/zinc/09/16/91/471091691.db2.gz SDDCIGUSDDETBE-GOSISDBHSA-N 2 0 333.524 2.049 10 0 EEAERP c1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657313428 471095175 /nfs/dbraw/zinc/09/51/75/471095175.db2.gz LTHXEWDVILXLLL-UHFFFAOYSA-N 2 0 348.454 2.417 10 0 EEAERP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000657537821 471163953 /nfs/dbraw/zinc/16/39/53/471163953.db2.gz UIGYXUZGSVSBQW-UHFFFAOYSA-N 2 0 335.496 2.014 10 0 EEAERP c1c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nc2ccccn12 ZINC000657535668 471164324 /nfs/dbraw/zinc/16/43/24/471164324.db2.gz RHWFMORURIRMEA-UHFFFAOYSA-N 2 0 328.460 2.315 10 0 EEAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000657576349 471173944 /nfs/dbraw/zinc/17/39/44/471173944.db2.gz JREGRKPEPYEVFW-DBVUQKKJSA-N 2 0 347.503 2.202 10 0 EEAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652241896 471260983 /nfs/dbraw/zinc/26/09/83/471260983.db2.gz FMMUBFRXQVGGOD-QGZVFWFLSA-N 2 0 336.524 2.269 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOCCOc2ccccc2)C1 ZINC000652361330 471279202 /nfs/dbraw/zinc/27/92/02/471279202.db2.gz DDNCDLDTEJMOOG-RLLQIKCJSA-N 2 0 348.487 2.443 10 0 EEAERP CCN(C(=O)NCCn1c(C)nc2ccccc21)[C@@H]1CC[N@H+](CC)C1 ZINC000663501336 471401630 /nfs/dbraw/zinc/40/16/30/471401630.db2.gz VQPFMZLWZDDUSD-MRXNPFEDSA-N 2 0 343.475 2.470 10 0 EEAERP CCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000663559587 471426674 /nfs/dbraw/zinc/42/66/74/471426674.db2.gz FPTXHGLWQNAJMY-IAGOWNOFSA-N 2 0 326.529 2.479 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660734043 471465088 /nfs/dbraw/zinc/46/50/88/471465088.db2.gz GBXCPOFXCKXUSG-QGZVFWFLSA-N 2 0 347.507 2.460 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653116473 471496509 /nfs/dbraw/zinc/49/65/09/471496509.db2.gz IGLDKQYGQYIJEW-OALUTQOASA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655910731 471533205 /nfs/dbraw/zinc/53/32/05/471533205.db2.gz BFGQWQDSJKGQAO-AWEZNQCLSA-N 2 0 346.397 2.216 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655915756 471537459 /nfs/dbraw/zinc/53/74/59/471537459.db2.gz XLBORNKKNSCTTL-KWCYVHTRSA-N 2 0 344.381 2.011 10 0 EEAERP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669556799 471552200 /nfs/dbraw/zinc/55/22/00/471552200.db2.gz GIKIJYGWDZYEQF-FNMLWVPJSA-N 2 0 342.487 2.101 10 0 EEAERP CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659292106 471570082 /nfs/dbraw/zinc/57/00/82/471570082.db2.gz BJQPMQBAJQPFBD-WMZOPIPTSA-N 2 0 327.472 2.374 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000659306459 471574046 /nfs/dbraw/zinc/57/40/46/471574046.db2.gz FMOIHNDFFQCXAS-IBGZPJMESA-N 2 0 347.503 2.287 10 0 EEAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc21 ZINC000659327574 471583069 /nfs/dbraw/zinc/58/30/69/471583069.db2.gz PONQWIMAVJCUTD-UWVAXJGDSA-N 2 0 327.472 2.266 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000666925084 471590976 /nfs/dbraw/zinc/59/09/76/471590976.db2.gz RADWIKJMFFRGSH-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000659434270 471625008 /nfs/dbraw/zinc/62/50/08/471625008.db2.gz VHHYNVDXIJEECO-GOSISDBHSA-N 2 0 332.492 2.455 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000659491849 471654383 /nfs/dbraw/zinc/65/43/83/471654383.db2.gz DMLIRQUKLIDSKC-SVGFKBNWSA-N 2 0 336.455 2.067 10 0 EEAERP C[NH2+][C@@H](C)Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000656560716 471759666 /nfs/dbraw/zinc/75/96/66/471759666.db2.gz GRKZPAFQLAZMEK-LURJTMIESA-N 2 0 343.250 2.314 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000660107516 471863982 /nfs/dbraw/zinc/86/39/82/471863982.db2.gz ICEQFIWVFDOMFT-UHFFFAOYSA-N 2 0 341.521 2.147 10 0 EEAERP [NH3+][C@@H]1C[C@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000665241014 471976875 /nfs/dbraw/zinc/97/68/75/471976875.db2.gz XWNCGLCPWHDNES-WMQCIHAUSA-N 2 0 337.467 2.488 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)C1 ZINC000665272745 471987351 /nfs/dbraw/zinc/98/73/51/471987351.db2.gz JZFQAEGSWUHGMB-QZTJIDSGSA-N 2 0 328.504 2.201 10 0 EEAERP C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299932 471994757 /nfs/dbraw/zinc/99/47/57/471994757.db2.gz VMZKORCUNRXYOV-PVAVHDDUSA-N 2 0 326.444 2.216 10 0 EEAERP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COc2ccccc2O1 ZINC000662248680 472041838 /nfs/dbraw/zinc/04/18/38/472041838.db2.gz ANKDRXMIUKSNJM-HZPDHXFCSA-N 2 0 332.444 2.059 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000662430859 472106583 /nfs/dbraw/zinc/10/65/83/472106583.db2.gz VHLONTQOGNRPEE-GFCCVEGCSA-N 2 0 328.416 2.091 10 0 EEAERP CC(C)C[C@@H]1CCCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665640148 472119959 /nfs/dbraw/zinc/11/99/59/472119959.db2.gz OQMJKZYWWHIKNR-IRXDYDNUSA-N 2 0 326.529 2.479 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)C[NH2+]C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000662513958 472136145 /nfs/dbraw/zinc/13/61/45/472136145.db2.gz HWEZQWIUPOMEBH-PKOBYXMFSA-N 2 0 331.460 2.087 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662684209 472204764 /nfs/dbraw/zinc/20/47/64/472204764.db2.gz BZQYOAANZHBLBK-RTBURBONSA-N 2 0 337.423 2.173 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000662684850 472205835 /nfs/dbraw/zinc/20/58/35/472205835.db2.gz KGQCJRFJNBIVDO-GOSISDBHSA-N 2 0 331.460 2.406 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCc2nc[nH]c2C1 ZINC000665989239 472264857 /nfs/dbraw/zinc/26/48/57/472264857.db2.gz HDDHYBTUCILGSH-APWZRJJASA-N 2 0 338.455 2.468 10 0 EEAERP C[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000662864466 472281216 /nfs/dbraw/zinc/28/12/16/472281216.db2.gz DDBUARYIRNSJBC-GDAAHCPNSA-N 2 0 329.488 2.274 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678764208 485495194 /nfs/dbraw/zinc/49/51/94/485495194.db2.gz NNXPRUPLISYUET-HNNXBMFYSA-N 2 0 340.431 2.217 10 0 EEAERP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000678769483 485498317 /nfs/dbraw/zinc/49/83/17/485498317.db2.gz FRHVPMPONUIELT-GDBMZVCRSA-N 2 0 335.473 2.117 10 0 EEAERP Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657486742 485565587 /nfs/dbraw/zinc/56/55/87/485565587.db2.gz IWIZVCQQPXYMFJ-YOEHRIQHSA-N 2 0 338.415 2.011 10 0 EEAERP COc1ccc([C@@H](CO)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657492155 485567636 /nfs/dbraw/zinc/56/76/36/485567636.db2.gz SHABNSFXAKGOBB-MRXNPFEDSA-N 2 0 338.411 2.142 10 0 EEAERP CC(C)[NH+]1CCC(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000658141528 485570546 /nfs/dbraw/zinc/57/05/46/485570546.db2.gz CBKUNCNKAGZLAV-HXUWFJFHSA-N 2 0 331.504 2.216 10 0 EEAERP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000679393931 485682278 /nfs/dbraw/zinc/68/22/78/485682278.db2.gz IXTBKPKKMUORFG-OFOKGCAXSA-N 2 0 343.515 2.491 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000431728052 485706897 /nfs/dbraw/zinc/70/68/97/485706897.db2.gz WOBFTHDAIXRGLL-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)CC1 ZINC000682733320 486547590 /nfs/dbraw/zinc/54/75/90/486547590.db2.gz WJHKTERACFTRAY-RAUXBKROSA-N 2 0 335.536 2.340 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000415951724 528355813 /nfs/dbraw/zinc/35/58/13/528355813.db2.gz IWIIFODEEWBGED-MRXNPFEDSA-N 2 0 334.464 2.028 10 0 EEAERP C(=C/C[NH2+][C@]12C[C@H]1COC21CCC1)\C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388066 676655020 /nfs/dbraw/zinc/65/50/20/676655020.db2.gz XAVCHMBUXQCYFX-SXFABKPBSA-N 2 0 330.472 2.145 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518055 683957786 /nfs/dbraw/zinc/95/77/86/683957786.db2.gz NRKVCLGLQOWTIS-FUMNGEBKSA-N 2 0 343.515 2.426 10 0 EEAERP CC[N@H+]1CCc2nnc([C@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257189572 684149306 /nfs/dbraw/zinc/14/93/06/684149306.db2.gz NXIWJEXKIVQODI-KRWDZBQOSA-N 2 0 325.460 2.146 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]CCOCCF)c2c1OC(F)(F)O2 ZINC000895359542 684544073 /nfs/dbraw/zinc/54/40/73/684544073.db2.gz XFAYEMGMSQYLOG-UHFFFAOYSA-N 2 0 334.338 2.145 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925692819 684948428 /nfs/dbraw/zinc/94/84/28/684948428.db2.gz QXMKJQXJEKIMFF-LJQANCHMSA-N 2 0 348.487 2.445 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[N@@H+]1C ZINC000925324595 692205069 /nfs/dbraw/zinc/20/50/69/692205069.db2.gz VRECROVXZIXYOD-SQNIBIBYSA-N 2 0 336.524 2.377 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924670369 693126262 /nfs/dbraw/zinc/12/62/62/693126262.db2.gz MKBBSKKMPHHTIF-SJORKVTESA-N 2 0 333.524 2.360 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924670365 693126287 /nfs/dbraw/zinc/12/62/87/693126287.db2.gz MKBBSKKMPHHTIF-IRXDYDNUSA-N 2 0 333.524 2.360 10 0 EEAERP CC1([NH+]2CCCC2)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000927037636 693198938 /nfs/dbraw/zinc/19/89/38/693198938.db2.gz JWJFRVNAOUWUQB-DDEIOVDASA-N 2 0 340.533 2.481 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCCc2ccsc2)C1 ZINC001485526342 1191826450 /nfs/dbraw/zinc/82/64/50/1191826450.db2.gz NDLMKIAGHRGOHL-HZPDHXFCSA-N 2 0 349.544 2.459 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001485575435 1191852765 /nfs/dbraw/zinc/85/27/65/1191852765.db2.gz MNBLDWIXXBSAOF-INIZCTEOSA-N 2 0 341.540 2.216 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485613300 1191862343 /nfs/dbraw/zinc/86/23/43/1191862343.db2.gz YUORZNKUDKTCOW-LDLYASANSA-N 2 0 347.478 2.270 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ncc(C)o3)C[C@H]2C1 ZINC001485657258 1191891741 /nfs/dbraw/zinc/89/17/41/1191891741.db2.gz ISRGOLFBLVNGPS-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001485722422 1191909900 /nfs/dbraw/zinc/90/99/00/1191909900.db2.gz JJLSYJNCFQYBNP-JFIYKMOQSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1ncsc1C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739735 1191916839 /nfs/dbraw/zinc/91/68/39/1191916839.db2.gz ZDZZNZPQSXRAOJ-ZIAGYGMSSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)C[NH+]1CCCC1 ZINC001485747564 1191929728 /nfs/dbraw/zinc/92/97/28/1191929728.db2.gz FADYURYIRZVNCK-GFCCVEGCSA-N 2 0 344.912 2.267 10 0 EEAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001485770856 1191943782 /nfs/dbraw/zinc/94/37/82/1191943782.db2.gz SYFYCSPPFMDBCE-MJGOQNOKSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001485770855 1191943960 /nfs/dbraw/zinc/94/39/60/1191943960.db2.gz SYFYCSPPFMDBCE-IEBWSBKVSA-N 2 0 347.503 2.215 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001691960724 1176081211 /nfs/dbraw/zinc/08/12/11/1176081211.db2.gz BRUUHJGMMAVVEX-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)s1 ZINC001266632315 1177028351 /nfs/dbraw/zinc/02/83/51/1177028351.db2.gz AFXLNABBYXWYES-SHTZXODSSA-N 2 0 338.521 2.229 10 0 EEAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266699508 1177221817 /nfs/dbraw/zinc/22/18/17/1177221817.db2.gz YHBOULKSRFQTEX-GASCZTMLSA-N 2 0 327.432 2.308 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001266796249 1177443292 /nfs/dbraw/zinc/44/32/92/1177443292.db2.gz WZTDERLZVTVCIG-AWEZNQCLSA-N 2 0 347.425 2.395 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001266950201 1177876250 /nfs/dbraw/zinc/87/62/50/1177876250.db2.gz JBXNWSOKMUPVNC-KRWDZBQOSA-N 2 0 345.487 2.097 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC[NH2+]CCCF ZINC001691309553 1177884565 /nfs/dbraw/zinc/88/45/65/1177884565.db2.gz SUDBXAPKLJAGTL-HZPDHXFCSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001691321524 1177908553 /nfs/dbraw/zinc/90/85/53/1177908553.db2.gz ARSVIWRIXAYNBR-KRWDZBQOSA-N 2 0 333.451 2.024 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345610 1177941802 /nfs/dbraw/zinc/94/18/02/1177941802.db2.gz FMCWCQBFACVRCW-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)C[NH+]1CCCC1 ZINC001267081334 1178203514 /nfs/dbraw/zinc/20/35/14/1178203514.db2.gz IODHZOWSZPSMGF-UHFFFAOYSA-N 2 0 343.393 2.349 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001267092275 1178222686 /nfs/dbraw/zinc/22/26/86/1178222686.db2.gz ZICHUMNKPUPFOT-ZWKOTPCHSA-N 2 0 339.499 2.485 10 0 EEAERP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001267104232 1178251843 /nfs/dbraw/zinc/25/18/43/1178251843.db2.gz OJAXURZYNFZIHS-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC001691429787 1178415955 /nfs/dbraw/zinc/41/59/55/1178415955.db2.gz IGVUMZKQHZNMFA-SCTDSRPQSA-N 2 0 345.487 2.034 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001691472656 1178906168 /nfs/dbraw/zinc/90/61/68/1178906168.db2.gz AUWWYNNFANCTEQ-HDICACEKSA-N 2 0 349.519 2.082 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001267417232 1178983075 /nfs/dbraw/zinc/98/30/75/1178983075.db2.gz RZEONEWMOMRFRU-IBGZPJMESA-N 2 0 331.504 2.324 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H]1CCC(F)(F)C1 ZINC001493325388 1179095549 /nfs/dbraw/zinc/09/55/49/1179095549.db2.gz OPGXRUNLUSPEDE-OAHLLOKOSA-N 2 0 343.462 2.346 10 0 EEAERP CCN1CCO[C@H](C(=O)N(C)CC[NH2+]CCC2CCCCCC2)C1 ZINC001267471402 1179100940 /nfs/dbraw/zinc/10/09/40/1179100940.db2.gz FIARAJSXUPGBQO-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)C23CCC[NH+]2CCC3)C(C)C)o1 ZINC001267503826 1179200461 /nfs/dbraw/zinc/20/04/61/1179200461.db2.gz GMPOWZZPKIKPBT-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccnn1C ZINC001267505926 1179208532 /nfs/dbraw/zinc/20/85/32/1179208532.db2.gz PPVRYWMLBHEHKY-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267819289 1180578516 /nfs/dbraw/zinc/57/85/16/1180578516.db2.gz CHRYSOYCCASYMT-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@H]1CCCCO1 ZINC001481358494 1181118850 /nfs/dbraw/zinc/11/88/50/1181118850.db2.gz UCLKDLOUMGUFSX-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481434529 1181330569 /nfs/dbraw/zinc/33/05/69/1181330569.db2.gz AUKLGEGXJKMWSA-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC001481455839 1181404735 /nfs/dbraw/zinc/40/47/35/1181404735.db2.gz LGYHLINFXRVWCZ-SFHVURJKSA-N 2 0 346.519 2.368 10 0 EEAERP CCOCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001268045875 1181527068 /nfs/dbraw/zinc/52/70/68/1181527068.db2.gz LRBUSUUBVOTOBL-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001481507651 1181591913 /nfs/dbraw/zinc/59/19/13/1181591913.db2.gz CZCHOXQGYQJTCY-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268078196 1181685171 /nfs/dbraw/zinc/68/51/71/1181685171.db2.gz BYANAAFRTTYSPW-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCc2cncn2C)[C@H]1C[NH2+]CCC1CC1 ZINC001268195464 1181989373 /nfs/dbraw/zinc/98/93/73/1181989373.db2.gz KUXLRXGDNYHXTE-QAPCUYQASA-N 2 0 332.492 2.370 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)[C@H]1CCC[NH+]1C ZINC001268246041 1182075011 /nfs/dbraw/zinc/07/50/11/1182075011.db2.gz WHHWHVIALYAUQE-QWHCGFSZSA-N 2 0 336.307 2.055 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001481728190 1182389066 /nfs/dbraw/zinc/38/90/66/1182389066.db2.gz VJWHBENANANUKX-CVEARBPZSA-N 2 0 343.462 2.439 10 0 EEAERP Cc1ccc(CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001268425247 1182597221 /nfs/dbraw/zinc/59/72/21/1182597221.db2.gz ZPTDMFIOTWAVBR-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001481860771 1182824715 /nfs/dbraw/zinc/82/47/15/1182824715.db2.gz DXGBHUFZHVSUJW-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001481905643 1182920118 /nfs/dbraw/zinc/92/01/18/1182920118.db2.gz PQNWSZMAAACGOZ-UHFFFAOYSA-N 2 0 336.480 2.268 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001481930234 1182976136 /nfs/dbraw/zinc/97/61/36/1182976136.db2.gz FVZQUZFOBVSTED-ZUALQUTDSA-N 2 0 327.900 2.344 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001481974751 1183070260 /nfs/dbraw/zinc/07/02/60/1183070260.db2.gz LVIYJUKNVUXVSX-IEBWSBKVSA-N 2 0 333.520 2.347 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001481983882 1183084370 /nfs/dbraw/zinc/08/43/70/1183084370.db2.gz WIRWRVFFLKSNSU-KRWDZBQOSA-N 2 0 344.503 2.142 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001268538503 1183199627 /nfs/dbraw/zinc/19/96/27/1183199627.db2.gz KMWQIVVIGBFHHZ-XGBNDESESA-N 2 0 349.425 2.069 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1F)[C@H]1C[NH+]2CCC1CC2 ZINC001268538501 1183199762 /nfs/dbraw/zinc/19/97/62/1183199762.db2.gz KMWQIVVIGBFHHZ-PYKQWIPUSA-N 2 0 349.425 2.069 10 0 EEAERP CO[C@H](C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001268579137 1183347342 /nfs/dbraw/zinc/34/73/42/1183347342.db2.gz ONXGKHAQPRFXNG-YZPMEYCISA-N 2 0 345.487 2.120 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cncs1 ZINC001482149567 1183467616 /nfs/dbraw/zinc/46/76/16/1183467616.db2.gz SHCBKLIYWXRCEV-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001268628059 1183551383 /nfs/dbraw/zinc/55/13/83/1183551383.db2.gz YPVFLRPOZUDJQM-JDGPPOGSSA-N 2 0 327.881 2.115 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268799905 1183715718 /nfs/dbraw/zinc/71/57/18/1183715718.db2.gz HUKVANRLBUOLRR-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CC1)[NH+](C)C ZINC001269523085 1184347212 /nfs/dbraw/zinc/34/72/12/1184347212.db2.gz XIQDQXSOCPJWNI-OAHLLOKOSA-N 2 0 338.883 2.060 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001270035573 1184803500 /nfs/dbraw/zinc/80/35/00/1184803500.db2.gz CALFAZMEINZKSU-SHTZXODSSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001270211383 1184926773 /nfs/dbraw/zinc/92/67/73/1184926773.db2.gz SGKFVOCUMFOTIA-BHIYHBOVSA-N 2 0 329.488 2.150 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001270215802 1184929460 /nfs/dbraw/zinc/92/94/60/1184929460.db2.gz VVXGHMNZJKIGCG-OAHLLOKOSA-N 2 0 339.505 2.040 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCOC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284678 1185063906 /nfs/dbraw/zinc/06/39/06/1185063906.db2.gz QIVGWVQDCNGORS-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncccc1C ZINC001482291574 1185120988 /nfs/dbraw/zinc/12/09/88/1185120988.db2.gz HFVDEKHLGISPCZ-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP COCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001270744934 1185362412 /nfs/dbraw/zinc/36/24/12/1185362412.db2.gz REIKIACBAFFOPB-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482330637 1185414278 /nfs/dbraw/zinc/41/42/78/1185414278.db2.gz KXZGAOFXFFAPKH-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001482364316 1185520057 /nfs/dbraw/zinc/52/00/57/1185520057.db2.gz GYZZFMDSOKDNIZ-QZTJIDSGSA-N 2 0 347.503 2.070 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CCCCC1 ZINC001482408076 1185635779 /nfs/dbraw/zinc/63/57/79/1185635779.db2.gz BFUNYHGKUWDBQM-INIZCTEOSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1[NH2+]CCCF ZINC001271395914 1186186491 /nfs/dbraw/zinc/18/64/91/1186186491.db2.gz UHNJKSVHOKOHKI-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001271710586 1186387009 /nfs/dbraw/zinc/38/70/09/1186387009.db2.gz BEDVMTFJAZEFQM-WMZOPIPTSA-N 2 0 349.544 2.461 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001482596892 1187297126 /nfs/dbraw/zinc/29/71/26/1187297126.db2.gz DSJNJFIUBVIOOS-RBUKOAKNSA-N 2 0 346.519 2.319 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cn1 ZINC001272773212 1193491426 /nfs/dbraw/zinc/49/14/26/1193491426.db2.gz KXHHDRZWJZMDIQ-PBHICJAKSA-N 2 0 336.455 2.078 10 0 EEAERP COCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482695173 1187661739 /nfs/dbraw/zinc/66/17/39/1187661739.db2.gz QOKSEXORHVMHGR-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCF)cc1 ZINC001482689861 1187664472 /nfs/dbraw/zinc/66/44/72/1187664472.db2.gz RIRTUDYLWRZGBG-ZWKOTPCHSA-N 2 0 335.467 2.248 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCF)cc1 ZINC001482689859 1187664494 /nfs/dbraw/zinc/66/44/94/1187664494.db2.gz RIRTUDYLWRZGBG-QZTJIDSGSA-N 2 0 335.467 2.248 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C[N@H+](C)C(C)C ZINC001482970792 1187908273 /nfs/dbraw/zinc/90/82/73/1187908273.db2.gz YOIXVNVCEBYYRP-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482970189 1187911176 /nfs/dbraw/zinc/91/11/76/1187911176.db2.gz PAEOXOVVDOSJTB-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001485874544 1193626815 /nfs/dbraw/zinc/62/68/15/1193626815.db2.gz ZIZQHHPGFAPILJ-GOEBONIOSA-N 2 0 338.521 2.261 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1conc1CC ZINC001485881886 1193628188 /nfs/dbraw/zinc/62/81/88/1193628188.db2.gz DPIXDQJBSYOTQS-RHSMWYFYSA-N 2 0 336.480 2.048 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409473905 1189779057 /nfs/dbraw/zinc/77/90/57/1189779057.db2.gz OUGIACCVVWVAFI-GJZGRUSLSA-N 2 0 337.512 2.095 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000905659033 1189830662 /nfs/dbraw/zinc/83/06/62/1189830662.db2.gz ACDCDELHFPZFRE-IRXDYDNUSA-N 2 0 349.548 2.023 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485955686 1193648182 /nfs/dbraw/zinc/64/81/82/1193648182.db2.gz PKODUWACUOPKRE-MRXNPFEDSA-N 2 0 329.488 2.208 10 0 EEAERP CCC(CC)n1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001485956405 1193648502 /nfs/dbraw/zinc/64/85/02/1193648502.db2.gz WQRCQZPLOARCFQ-JKSUJKDBSA-N 2 0 349.523 2.132 10 0 EEAERP CCC(CC)n1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001485956403 1193648639 /nfs/dbraw/zinc/64/86/39/1193648639.db2.gz WQRCQZPLOARCFQ-HOTGVXAUSA-N 2 0 349.523 2.132 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cnccc2C)C1 ZINC001409620479 1190111417 /nfs/dbraw/zinc/11/14/17/1190111417.db2.gz WVYZWTVEGJFDOY-MSOLQXFVSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)CC[NH+](C)C ZINC001483263799 1190288438 /nfs/dbraw/zinc/28/84/38/1190288438.db2.gz KXKSKLXGYXCSCI-LBPRGKRZSA-N 2 0 331.382 2.251 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001486122122 1193687961 /nfs/dbraw/zinc/68/79/61/1193687961.db2.gz PKEVQQGQCHZFMP-YJBOKZPZSA-N 2 0 344.503 2.119 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1C[C@@H]1CCOC1 ZINC001409832882 1190664120 /nfs/dbraw/zinc/66/41/20/1190664120.db2.gz HRCUUZQBUAYNHV-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC001483942623 1191126080 /nfs/dbraw/zinc/12/60/80/1191126080.db2.gz LYEHBZBYXXULBQ-SFHVURJKSA-N 2 0 340.471 2.267 10 0 EEAERP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001484198217 1191269427 /nfs/dbraw/zinc/26/94/27/1191269427.db2.gz QHNWXILHBGMCGU-HZPDHXFCSA-N 2 0 339.430 2.383 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)sn1 ZINC001484347512 1191313216 /nfs/dbraw/zinc/31/32/16/1191313216.db2.gz ORLMJIXPVNMASO-CABCVRRESA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001484395633 1191329700 /nfs/dbraw/zinc/32/97/00/1191329700.db2.gz ZDXWUDZEILZQOI-QBPKDAKJSA-N 2 0 327.488 2.198 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001484563492 1191418578 /nfs/dbraw/zinc/41/85/78/1191418578.db2.gz OXJVRHHGWOLSPK-WMZOPIPTSA-N 2 0 345.487 2.086 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCOC(C)C)CC1)[NH+](C)C ZINC001484724679 1191485239 /nfs/dbraw/zinc/48/52/39/1191485239.db2.gz SWJHEIUGOQOCLO-SJORKVTESA-N 2 0 327.513 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](Cc3cc(C)no3)C2)C1 ZINC001484829744 1191537762 /nfs/dbraw/zinc/53/77/62/1191537762.db2.gz IVCQFYQMKGIGAM-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCC1CC1 ZINC001484825961 1191544271 /nfs/dbraw/zinc/54/42/71/1191544271.db2.gz YWGDTBIOMMBXJQ-LJQANCHMSA-N 2 0 329.488 2.281 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC001484903913 1191569467 /nfs/dbraw/zinc/56/94/67/1191569467.db2.gz HUGYPLBOHPAZHO-HNAYVOBHSA-N 2 0 346.519 2.367 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC[C@H]1CCCC1(F)F ZINC001484996986 1191607271 /nfs/dbraw/zinc/60/72/71/1191607271.db2.gz JFDVRBSQDPXXCF-RRFJBIMHSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H]([NH2+]CCC1CCOCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179774 1191678882 /nfs/dbraw/zinc/67/88/82/1191678882.db2.gz JKEXFUHYVFGIJS-CVEARBPZSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485228920 1191698541 /nfs/dbraw/zinc/69/85/41/1191698541.db2.gz FZQOQGSUCRKRJO-IRXDYDNUSA-N 2 0 332.492 2.249 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001485243323 1191707119 /nfs/dbraw/zinc/70/71/19/1191707119.db2.gz NMKNCBZUBHLFNM-ABHNRTSZSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cncc(CN2CC([C@H](C)NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001485511931 1191815661 /nfs/dbraw/zinc/81/56/61/1191815661.db2.gz RKLGTQGZZYEWAW-LPHOPBHVSA-N 2 0 344.503 2.201 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC[C@@H]1CCCO1)CC2 ZINC001486149591 1193700123 /nfs/dbraw/zinc/70/01/23/1193700123.db2.gz PAHSEYCHRWXNEG-SCTDSRPQSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001486220728 1193758344 /nfs/dbraw/zinc/75/83/44/1193758344.db2.gz OPEMRIBKECHCOB-SJORKVTESA-N 2 0 348.491 2.234 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC001486241181 1193767723 /nfs/dbraw/zinc/76/77/23/1193767723.db2.gz STXNNTBIKOXIGT-KGLIPLIRSA-N 2 0 331.451 2.200 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001410218039 1197611166 /nfs/dbraw/zinc/61/11/66/1197611166.db2.gz BHNXAKURBYEKDM-ADAWSYLGSA-N 2 0 345.478 2.431 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001410256025 1197639654 /nfs/dbraw/zinc/63/96/54/1197639654.db2.gz XPHLQSGBUZADPT-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001410324579 1197707896 /nfs/dbraw/zinc/70/78/96/1197707896.db2.gz JDQDAJIZKRVNQI-MSOLQXFVSA-N 2 0 348.491 2.184 10 0 EEAERP C[N@H+](CCCCCC[NH3+])[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000872155856 1198062379 /nfs/dbraw/zinc/06/23/79/1198062379.db2.gz YNNGHPKPKCWHBB-AWEZNQCLSA-N 2 0 342.281 2.426 10 0 EEAERP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158875 1198063851 /nfs/dbraw/zinc/06/38/51/1198063851.db2.gz YPZWXIPFPIPZIV-XYJFISCASA-N 2 0 339.524 2.147 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC001410508790 1198063990 /nfs/dbraw/zinc/06/39/90/1198063990.db2.gz QTRGVJZNKRXOEW-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1csc2nc(C)nc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c12 ZINC000866012035 1198454123 /nfs/dbraw/zinc/45/41/23/1198454123.db2.gz OWFANKSZBDSJTR-HUUCEWRRSA-N 2 0 347.532 2.484 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cnc(Cl)s2)C[C@H]1C ZINC001410845504 1198495773 /nfs/dbraw/zinc/49/57/73/1198495773.db2.gz IEYDIEMUKUAYEG-VXGBXAGGSA-N 2 0 344.912 2.216 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001410856093 1198507721 /nfs/dbraw/zinc/50/77/21/1198507721.db2.gz NWRLJGOKQNDQPL-CXAGYDPISA-N 2 0 339.430 2.038 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cccc3cccnc32)CN1C(=O)CC[NH+](C)C ZINC001410872709 1198525292 /nfs/dbraw/zinc/52/52/92/1198525292.db2.gz SKDSFHGCYHPFPM-QAPCUYQASA-N 2 0 340.471 2.266 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001410941155 1198597389 /nfs/dbraw/zinc/59/73/89/1198597389.db2.gz KASHQQAPOZLCFE-HOTGVXAUSA-N 2 0 348.491 2.008 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2CCOCC2)[C@H]1C ZINC001410932277 1198597614 /nfs/dbraw/zinc/59/76/14/1198597614.db2.gz RJQKPELBMAHYSK-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C[NH2+]CCCF ZINC001279181035 1198674010 /nfs/dbraw/zinc/67/40/10/1198674010.db2.gz CZZOVFXXUYYHKK-YJBOKZPZSA-N 2 0 339.499 2.152 10 0 EEAERP CC[C@H](C(=O)NC1(C2CC[NH+](CC[C@H](C)F)CC2)CC1)[NH+](C)C ZINC001411251216 1198973784 /nfs/dbraw/zinc/97/37/84/1198973784.db2.gz DRALRLMQAYRJJS-GOEBONIOSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC(C)(C)C2CC2)C[C@H]1C[NH+](C)C ZINC000875624948 1199321474 /nfs/dbraw/zinc/32/14/74/1199321474.db2.gz WJXIVHSHKOMCTE-HZPDHXFCSA-N 2 0 338.540 2.194 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)C2CCC2)C[C@H]1C[NH+](C)C ZINC000875640217 1199328088 /nfs/dbraw/zinc/32/80/88/1199328088.db2.gz NMMRPGIPFIOMPV-HZPDHXFCSA-N 2 0 338.540 2.194 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@H]21 ZINC000810580038 1199604828 /nfs/dbraw/zinc/60/48/28/1199604828.db2.gz LOEBGUXMPPXKLX-IIDMSEBBSA-N 2 0 325.472 2.142 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000869765664 1200265234 /nfs/dbraw/zinc/26/52/34/1200265234.db2.gz OKHVERFBDIPROI-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2F)C[C@H]1C[NH+](C)C ZINC000870023390 1200412912 /nfs/dbraw/zinc/41/29/12/1200412912.db2.gz WRFMMNLNMBYWOK-HZPDHXFCSA-N 2 0 349.494 2.301 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000870863807 1200918389 /nfs/dbraw/zinc/91/83/89/1200918389.db2.gz BPYLLZVPIHKPHJ-UHFFFAOYSA-N 2 0 327.472 2.083 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866526251 1201542031 /nfs/dbraw/zinc/54/20/31/1201542031.db2.gz HKVDSABVTBCCFZ-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000866705860 1201585055 /nfs/dbraw/zinc/58/50/55/1201585055.db2.gz IOQYYHRBLNRMQX-IBGZPJMESA-N 2 0 346.475 2.422 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868103214 1201744034 /nfs/dbraw/zinc/74/40/34/1201744034.db2.gz SBYPQFSPRHLLMO-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000869007270 1201922799 /nfs/dbraw/zinc/92/27/99/1201922799.db2.gz OJZQJRURZGCBBB-UHFFFAOYSA-N 2 0 345.491 2.176 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001274263021 1204980447 /nfs/dbraw/zinc/98/04/47/1204980447.db2.gz LVZNZISOTDHWMM-CFUPXEQDSA-N 2 0 337.414 2.382 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274760658 1205155032 /nfs/dbraw/zinc/15/50/32/1205155032.db2.gz OXMJZLGULDGIDM-XLIONFOSSA-N 2 0 343.515 2.364 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCCF)CC1 ZINC001275080861 1205250956 /nfs/dbraw/zinc/25/09/56/1205250956.db2.gz MNUWZDLIMTXNAP-UYAOXDASSA-N 2 0 347.478 2.450 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCc1ccsc1 ZINC001275541064 1205402361 /nfs/dbraw/zinc/40/23/61/1205402361.db2.gz OQOKWLLCPOBJLG-LSDHHAIUSA-N 2 0 335.517 2.259 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000924639313 1206008587 /nfs/dbraw/zinc/00/85/87/1206008587.db2.gz LTZZNKXDWDUHPJ-UFRUDQCGSA-N 2 0 327.472 2.239 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@@H](C)C1 ZINC000924662282 1206013599 /nfs/dbraw/zinc/01/35/99/1206013599.db2.gz TVAVCWXHLYEMET-YOEHRIQHSA-N 2 0 333.480 2.019 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC[C@H]3C(C)C)cn2)CC1 ZINC000924688870 1206018463 /nfs/dbraw/zinc/01/84/63/1206018463.db2.gz GDRHTQNYZHCYOV-OALUTQOASA-N 2 0 346.519 2.374 10 0 EEAERP CN(C)C(=O)CC[NH+]1CCC(N[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925020721 1206061571 /nfs/dbraw/zinc/06/15/71/1206061571.db2.gz RWMMJRKDPMKVDP-HXUWFJFHSA-N 2 0 344.503 2.455 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925327433 1206097936 /nfs/dbraw/zinc/09/79/36/1206097936.db2.gz QJBSKKZBCUHZTB-BHIYHBOVSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)(N2CCCCC2)CC1 ZINC000925517197 1206121978 /nfs/dbraw/zinc/12/19/78/1206121978.db2.gz ZINBELYHUFLLGM-CEXWTWQISA-N 3 0 348.579 2.303 10 0 EEAERP O=C(CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)NCc1ccccc1 ZINC000925541567 1206125261 /nfs/dbraw/zinc/12/52/61/1206125261.db2.gz BPBGIVLSDUKARK-OALUTQOASA-N 2 0 329.488 2.451 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)C2)c1 ZINC000925554175 1206126991 /nfs/dbraw/zinc/12/69/91/1206126991.db2.gz ZEYWQHFNQPNUHG-ZMYBRWDISA-N 2 0 345.487 2.390 10 0 EEAERP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925581152 1206131734 /nfs/dbraw/zinc/13/17/34/1206131734.db2.gz PZEPGBLZZISRFL-DLBZAZTESA-N 2 0 333.476 2.466 10 0 EEAERP O=C(/C=C\c1ccccc1)NCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925664822 1206141432 /nfs/dbraw/zinc/14/14/32/1206141432.db2.gz HBAMNSVAVBXCNY-HJCTWCACSA-N 2 0 327.472 2.470 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000925812275 1206156483 /nfs/dbraw/zinc/15/64/83/1206156483.db2.gz NPKVHUJGRNKAPU-IBGZPJMESA-N 2 0 328.435 2.323 10 0 EEAERP C(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)CCN1CC[NH2+]CC1 ZINC000925846846 1206159739 /nfs/dbraw/zinc/15/97/39/1206159739.db2.gz YAEZXSYXLJCQEO-OWCLPIDISA-N 2 0 329.579 2.031 10 0 EEAERP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854330 1206161228 /nfs/dbraw/zinc/16/12/28/1206161228.db2.gz MTEHLUJSPYXQQM-PBHICJAKSA-N 2 0 334.435 2.422 10 0 EEAERP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854255 1206161288 /nfs/dbraw/zinc/16/12/88/1206161288.db2.gz MKIOCXRSZMEFOW-FUHWJXTLSA-N 2 0 344.455 2.348 10 0 EEAERP CC(C)[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cn1 ZINC000925854325 1206161333 /nfs/dbraw/zinc/16/13/33/1206161333.db2.gz IVIBOSKQJANLCV-GOEBONIOSA-N 2 0 335.423 2.193 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1N(C)C ZINC000925856917 1206161764 /nfs/dbraw/zinc/16/17/64/1206161764.db2.gz OFQSXIPOCKXORR-CABCVRRESA-N 2 0 331.460 2.089 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925883308 1206163564 /nfs/dbraw/zinc/16/35/64/1206163564.db2.gz UUELZQPJPGBYHB-HFTRVMKXSA-N 2 0 329.448 2.135 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1(C)C ZINC000926358490 1206215479 /nfs/dbraw/zinc/21/54/79/1206215479.db2.gz ZRLDGXVBOCUCOQ-IEBWSBKVSA-N 2 0 330.520 2.408 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000928446736 1206385314 /nfs/dbraw/zinc/38/53/14/1206385314.db2.gz YJNZSBZNAWYMMZ-KYJSFNMBSA-N 2 0 333.451 2.247 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000929739929 1206497161 /nfs/dbraw/zinc/49/71/61/1206497161.db2.gz NDXXTMGROSCHQO-UHFFFAOYSA-N 2 0 346.475 2.329 10 0 EEAERP CN(C)C(=O)CC[NH+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000931215512 1206616605 /nfs/dbraw/zinc/61/66/05/1206616605.db2.gz ZKRANEJNLBRMIY-PMACEKPBSA-N 2 0 329.488 2.309 10 0 EEAERP OCc1ccc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000718011360 1211700953 /nfs/dbraw/zinc/70/09/53/1211700953.db2.gz NHHOCRSKHUJFMN-UHFFFAOYSA-N 2 0 344.455 2.279 10 0 EEAERP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001413048106 1217393363 /nfs/dbraw/zinc/39/33/63/1217393363.db2.gz SWVOQAGMIHZHIY-SLFFLAALSA-N 2 0 338.536 2.485 10 0 EEAERP C[N@@H+]1C[C@]23C[NH+](CCc4ccc(C(N)=O)cc4)C[C@@]2(C1)CCCC3 ZINC001413102364 1234164513 /nfs/dbraw/zinc/16/45/13/1234164513.db2.gz UQTXGNOGNADQGV-BGYRXZFFSA-N 2 0 327.472 2.136 10 0 EEAERP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)C12CC[NH+](CC1)C2 ZINC000900411755 1234328736 /nfs/dbraw/zinc/32/87/36/1234328736.db2.gz MGGXGJYCYWMLGK-UHFFFAOYSA-N 2 0 339.483 2.132 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001413271345 1235116734 /nfs/dbraw/zinc/11/67/34/1235116734.db2.gz CIOWVQDRGYQNJD-MOPGFXCFSA-N 2 0 341.499 2.499 10 0 EEAERP CC(=O)N1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902396676 1237523114 /nfs/dbraw/zinc/52/31/14/1237523114.db2.gz GCRDYDFETAOCMF-PBHICJAKSA-N 2 0 325.403 2.345 10 0 EEAERP CCC[NH+]1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000903190851 1239975754 /nfs/dbraw/zinc/97/57/54/1239975754.db2.gz GFSCHZFJGMFJPB-UHFFFAOYSA-N 2 0 345.553 2.091 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000903491107 1240647310 /nfs/dbraw/zinc/64/73/10/1240647310.db2.gz VMIOWJLZNLISHY-LZWOXQAQSA-N 2 0 342.361 2.418 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497285 1240678367 /nfs/dbraw/zinc/67/83/67/1240678367.db2.gz TYBJPDJJYOCFQT-UMVBOHGHSA-N 2 0 339.430 2.401 10 0 EEAERP COCC[N@@H+](Cc1ccc2c(c1)OCO2)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893435 1242361019 /nfs/dbraw/zinc/36/10/19/1242361019.db2.gz VOQDXHKJGMKFNS-ALOPSCKCSA-N 2 0 332.444 2.394 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C2(c3ccccc3)CCOCC2)cnn1C ZINC000903897852 1242387715 /nfs/dbraw/zinc/38/77/15/1242387715.db2.gz HOAJQLYEVMIQNV-KRWDZBQOSA-N 2 0 342.487 2.141 10 0 EEAERP Cc1c(C[C@H](C[NH3+])CNc2ccc(C)cc2C[NH+](C)C)cnn1C ZINC000903918812 1242484425 /nfs/dbraw/zinc/48/44/25/1242484425.db2.gz IQQKPFVLTOXTJR-MRXNPFEDSA-N 2 0 329.492 2.328 10 0 EEAERP NC1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC000903929947 1242539944 /nfs/dbraw/zinc/53/99/44/1242539944.db2.gz ORVFKNKNTFGXNL-IHWFROFDSA-N 3 0 342.531 2.100 10 0 EEAERP C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903963897 1242754138 /nfs/dbraw/zinc/75/41/38/1242754138.db2.gz JBVZXZHLPAXZEQ-JTNHKYCSSA-N 2 0 340.265 2.364 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001491084637 1258650090 /nfs/dbraw/zinc/65/00/90/1258650090.db2.gz CBNCRKYDFOCRIJ-WNRNVDISSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491116445 1258711020 /nfs/dbraw/zinc/71/10/20/1258711020.db2.gz LGEHVCOZYUINFQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491154064 1258730561 /nfs/dbraw/zinc/73/05/61/1258730561.db2.gz ZZULNXPIWCKRPR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001491228838 1258814566 /nfs/dbraw/zinc/81/45/66/1258814566.db2.gz IZBVRSOHAKAFHJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001491457577 1259102663 /nfs/dbraw/zinc/10/26/63/1259102663.db2.gz SAUDKKHSWCBYLO-ZMSDIMECSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001267887958 1276755848 /nfs/dbraw/zinc/75/58/48/1276755848.db2.gz SDCHPCGQUWZOOL-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)C1 ZINC000850506660 1277253395 /nfs/dbraw/zinc/25/33/95/1277253395.db2.gz BPOFYMDQIJADMU-FUHWJXTLSA-N 2 0 326.444 2.144 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC001413683578 1286553857 /nfs/dbraw/zinc/55/38/57/1286553857.db2.gz KKXRNLYIDXFXOP-JQHSSLGASA-N 2 0 332.492 2.311 10 0 EEAERP CCO[C@H](C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001489238437 1290487646 /nfs/dbraw/zinc/48/76/46/1290487646.db2.gz LXHSULBMJJICHM-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001490307090 1291153134 /nfs/dbraw/zinc/15/31/34/1291153134.db2.gz QWKOVUUVXFTMJK-BBRMVZONSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490739039 1291650176 /nfs/dbraw/zinc/65/01/76/1291650176.db2.gz DBIVNCAWUZBBIT-INIZCTEOSA-N 2 0 348.491 2.187 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC ZINC000851813516 1291855559 /nfs/dbraw/zinc/85/55/59/1291855559.db2.gz UUZZKRIXQILVTF-LMMKCTJWSA-N 2 0 340.508 2.277 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844693 1292214672 /nfs/dbraw/zinc/21/46/72/1292214672.db2.gz JRNSGOYVRMCPIF-UONOGXRCSA-N 2 0 338.883 2.422 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCCOC3)C2)ccn1 ZINC000856553873 1293565346 /nfs/dbraw/zinc/56/53/46/1293565346.db2.gz YGYIKOJXQGBSPL-APWZRJJASA-N 2 0 333.476 2.413 10 0 EEAERP CN(CCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858253472 1294061341 /nfs/dbraw/zinc/06/13/41/1294061341.db2.gz CAESTECFSTXZGZ-HNNXBMFYSA-N 2 0 343.512 2.332 10 0 EEAERP CCC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276725433 1296946500 /nfs/dbraw/zinc/94/65/00/1296946500.db2.gz HTNPHZWNAIYGKJ-VCKVKBQCSA-N 2 0 333.520 2.369 10 0 EEAERP CO[C@H](C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C1CCC1 ZINC001490928018 1299584917 /nfs/dbraw/zinc/58/49/17/1299584917.db2.gz IGKPQNSPEINXMN-BRWVUGGUSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277186739 1301722107 /nfs/dbraw/zinc/72/21/07/1301722107.db2.gz MBXDSEOXOBRKDN-APWZRJJASA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001277763408 1304363867 /nfs/dbraw/zinc/36/38/67/1304363867.db2.gz LMHZYXSLRKBSCT-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001277917601 1305091414 /nfs/dbraw/zinc/09/14/14/1305091414.db2.gz UOWCBYJNJLHQMF-DLBZAZTESA-N 2 0 335.517 2.356 10 0 EEAERP CON(C)C(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000799126993 1305163202 /nfs/dbraw/zinc/16/32/02/1305163202.db2.gz KHVCHXULSHRTKU-MOPGFXCFSA-N 2 0 345.487 2.383 10 0 EEAERP COCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001278064247 1305827376 /nfs/dbraw/zinc/82/73/76/1305827376.db2.gz LMBHNRQPIWZWBQ-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@H]1C ZINC001278308966 1309255981 /nfs/dbraw/zinc/25/59/81/1309255981.db2.gz SWVSNLTYYMQRFR-IEBWSBKVSA-N 2 0 347.503 2.295 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCCOC)C2)C1)[NH+](C)C ZINC001278335389 1309542185 /nfs/dbraw/zinc/54/21/85/1309542185.db2.gz JHQLDKSMDQKMBQ-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C[C@@H]1C ZINC001278424960 1310206928 /nfs/dbraw/zinc/20/69/28/1310206928.db2.gz XXWRCJLJCWADEL-DZGCQCFKSA-N 2 0 338.883 2.154 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCOC(C)C)C(C)(C)C ZINC001279034232 1319052100 /nfs/dbraw/zinc/05/21/00/1319052100.db2.gz LISGIFIYASNVNU-IAGOWNOFSA-N 2 0 341.540 2.406 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264126431 1322635556 /nfs/dbraw/zinc/63/55/56/1322635556.db2.gz VBEAGEKKYFAXRR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001264127895 1322636214 /nfs/dbraw/zinc/63/62/14/1322636214.db2.gz NNDCMAHTOMLOBW-SFHVURJKSA-N 2 0 339.524 2.260 10 0 EEAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001265004852 1322851278 /nfs/dbraw/zinc/85/12/78/1322851278.db2.gz YMBWYLHHHXTQEK-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265073307 1322908049 /nfs/dbraw/zinc/90/80/49/1322908049.db2.gz WSFRHILPHIGJLS-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP CCc1nc(C)c(C[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C2CC2)o1 ZINC001265171415 1322964862 /nfs/dbraw/zinc/96/48/62/1322964862.db2.gz POEKNSHGNHUTDR-MRXNPFEDSA-N 2 0 348.491 2.110 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001265215400 1322988858 /nfs/dbraw/zinc/98/88/58/1322988858.db2.gz ZNQAPMBPERHAEV-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1cccnc1 ZINC001265872134 1323444342 /nfs/dbraw/zinc/44/43/42/1323444342.db2.gz PFYDOAIQHWDDKP-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001265918891 1323485227 /nfs/dbraw/zinc/48/52/27/1323485227.db2.gz VYDLNRDCHNHKDI-HNNXBMFYSA-N 2 0 345.422 2.211 10 0 EEAERP Cc1c(C(=O)N2CC[C@H](C[NH2+]CC[C@H](C)F)C2)ccc2c[nH+]cn21 ZINC001265990582 1323549453 /nfs/dbraw/zinc/54/94/53/1323549453.db2.gz RNAIUPDLNIZMAD-DZGCQCFKSA-N 2 0 332.423 2.443 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCCCF)C1 ZINC001280165660 1324101352 /nfs/dbraw/zinc/10/13/52/1324101352.db2.gz ZKPCNBDMFXFOSY-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001280263362 1324133248 /nfs/dbraw/zinc/13/32/48/1324133248.db2.gz GENYNCBEQMAJLV-SFHVURJKSA-N 2 0 341.499 2.419 10 0 EEAERP CCC1([NH2+]CCCOC)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001281050001 1324744296 /nfs/dbraw/zinc/74/42/96/1324744296.db2.gz RPHBIYWQJUJRSH-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC001283174063 1325944397 /nfs/dbraw/zinc/94/43/97/1325944397.db2.gz PSAPFNZZTSBBRL-DYVFJYSZSA-N 2 0 348.491 2.008 10 0 EEAERP C[C@H](CCC[NH2+][C@H](C)c1cnccn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283260433 1325976664 /nfs/dbraw/zinc/97/66/64/1325976664.db2.gz NCGFZFJPRQHXCC-IAGOWNOFSA-N 2 0 347.507 2.144 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001283939436 1326329356 /nfs/dbraw/zinc/32/93/56/1326329356.db2.gz MFHVDRAIGHPARV-FUHWJXTLSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001283941743 1326330561 /nfs/dbraw/zinc/33/05/61/1326330561.db2.gz ZPDBTLNZMJGAAH-MSOLQXFVSA-N 2 0 345.487 2.049 10 0 EEAERP O=C(C[NH+]1CCCC1)NCc1ccc(CC[NH2+]CC2CCC2)cc1 ZINC001491904434 1330298350 /nfs/dbraw/zinc/29/83/50/1330298350.db2.gz UPMMJVYWEJMELD-UHFFFAOYSA-N 2 0 329.488 2.331 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001492101300 1330469202 /nfs/dbraw/zinc/46/92/02/1330469202.db2.gz AIOBHMOZAIWPOM-CQSZACIVSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316851139 1331446122 /nfs/dbraw/zinc/44/61/22/1331446122.db2.gz QDGPPVLJUACVFZ-PBHICJAKSA-N 2 0 333.467 2.385 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001317124411 1332087716 /nfs/dbraw/zinc/08/77/16/1332087716.db2.gz LMHCQSKVGCIIAX-HDICACEKSA-N 2 0 332.492 2.167 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001317146362 1332099053 /nfs/dbraw/zinc/09/90/53/1332099053.db2.gz IWSVFJPNRKUHCS-QFBILLFUSA-N 2 0 347.478 2.291 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001317157742 1332104376 /nfs/dbraw/zinc/10/43/76/1332104376.db2.gz LLOLGIAKQXTMHY-OLZOCXBDSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001317344599 1332187832 /nfs/dbraw/zinc/18/78/32/1332187832.db2.gz UIKONQTZASMJIP-WOJBJXKFSA-N 2 0 343.515 2.317 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cncs1)[NH+](C)C ZINC001317437466 1332240876 /nfs/dbraw/zinc/24/08/76/1332240876.db2.gz WJDWJVMYPWLLIR-ZBFHGGJFSA-N 2 0 338.521 2.344 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001317597823 1332317453 /nfs/dbraw/zinc/31/74/53/1332317453.db2.gz CYPWOKQMARWKRK-UHFFFAOYSA-N 2 0 329.488 2.153 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)c2cnc[nH]2)n1 ZINC001317654897 1332351358 /nfs/dbraw/zinc/35/13/58/1332351358.db2.gz LJWAKQIBJLBICP-UHFFFAOYSA-N 2 0 343.475 2.454 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001317661800 1332356093 /nfs/dbraw/zinc/35/60/93/1332356093.db2.gz ZKJCTCJCGSYFKR-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001317668430 1332360988 /nfs/dbraw/zinc/36/09/88/1332360988.db2.gz ASTNAENOZYZCHO-OKILXGFUSA-N 2 0 338.883 2.156 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001318356031 1332515463 /nfs/dbraw/zinc/51/54/63/1332515463.db2.gz PABFPYACHLGAID-UPJWGTAASA-N 2 0 336.307 2.101 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOc1c(C)cccc1C ZINC001318601568 1332566144 /nfs/dbraw/zinc/56/61/44/1332566144.db2.gz ABRRXROJKVYZRX-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)CCC[NH+]1CCCC1 ZINC001318759812 1332589978 /nfs/dbraw/zinc/58/99/78/1332589978.db2.gz QGRNSTHYBXWCOZ-WMZOPIPTSA-N 2 0 327.488 2.487 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001318969624 1332630632 /nfs/dbraw/zinc/63/06/32/1332630632.db2.gz PUIBBVBZCDUIQU-XSLAGTTESA-N 2 0 339.524 2.159 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001319007281 1332636774 /nfs/dbraw/zinc/63/67/74/1332636774.db2.gz ZMALZHKJHCHOPM-CRAIPNDOSA-N 2 0 335.467 2.482 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001319794550 1332770048 /nfs/dbraw/zinc/77/00/48/1332770048.db2.gz YQDQUWKOHVUVDP-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCc1cccs1 ZINC001319860594 1332786732 /nfs/dbraw/zinc/78/67/32/1332786732.db2.gz GYORHFYVLAYROC-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001319869814 1332789386 /nfs/dbraw/zinc/78/93/86/1332789386.db2.gz QGFIHGLBKLZHOC-ZIAGYGMSSA-N 2 0 337.430 2.496 10 0 EEAERP COCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001319870258 1332789598 /nfs/dbraw/zinc/78/95/98/1332789598.db2.gz SSKIJECQISKGPN-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001319905708 1332795427 /nfs/dbraw/zinc/79/54/27/1332795427.db2.gz MNNOIVGMFPXLKL-GJZGRUSLSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001320448612 1332886253 /nfs/dbraw/zinc/88/62/53/1332886253.db2.gz WMOZKYQDLSTLPR-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001320570135 1332912506 /nfs/dbraw/zinc/91/25/06/1332912506.db2.gz NHWSFHIKCSMJGI-FUHWJXTLSA-N 2 0 349.523 2.150 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C)s1 ZINC001321252109 1333056028 /nfs/dbraw/zinc/05/60/28/1333056028.db2.gz ULKZSSMLLWWRAW-VOTSOKGWSA-N 2 0 338.521 2.191 10 0 EEAERP O=C(Cn1ccnc1)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1F ZINC001321433876 1333104260 /nfs/dbraw/zinc/10/42/60/1333104260.db2.gz XSJCUFLNTDNYII-UPHRSURJSA-N 2 0 336.798 2.138 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001322641848 1333299509 /nfs/dbraw/zinc/29/95/09/1333299509.db2.gz SWXPKGWFBYAHCZ-UHFFFAOYSA-N 2 0 336.480 2.050 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001322682468 1333306803 /nfs/dbraw/zinc/30/68/03/1333306803.db2.gz IVHRDSOPRDNBKO-LSDHHAIUSA-N 2 0 333.467 2.446 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001322756850 1333320830 /nfs/dbraw/zinc/32/08/30/1333320830.db2.gz OTRCUZPPLPACIO-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH+](CCOCC)C1 ZINC001323641878 1333506730 /nfs/dbraw/zinc/50/67/30/1333506730.db2.gz LGBBOYHXWACGQB-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001324340739 1333661394 /nfs/dbraw/zinc/66/13/94/1333661394.db2.gz ZDZQKCZSKRPCDA-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001324707169 1333743037 /nfs/dbraw/zinc/74/30/37/1333743037.db2.gz PKGUEAWBGPAWQZ-FPOVZHCZSA-N 2 0 343.515 2.460 10 0 EEAERP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001324799869 1333762548 /nfs/dbraw/zinc/76/25/48/1333762548.db2.gz XJQNOVMTFZVPIW-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001325557061 1333910925 /nfs/dbraw/zinc/91/09/25/1333910925.db2.gz XGGUTVZGFJSWPK-RDJZCZTQSA-N 2 0 349.544 2.317 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326410551 1334086812 /nfs/dbraw/zinc/08/68/12/1334086812.db2.gz ACPWLDAZZMBBEM-VQTJNVASSA-N 2 0 343.515 2.399 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001326437796 1334094116 /nfs/dbraw/zinc/09/41/16/1334094116.db2.gz OWLMZTXAYPJZJE-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001326542093 1334112980 /nfs/dbraw/zinc/11/29/80/1334112980.db2.gz QVEOBGUHZWHQBK-QBPKDAKJSA-N 2 0 327.488 2.341 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCOCC1 ZINC001327622332 1334323954 /nfs/dbraw/zinc/32/39/54/1334323954.db2.gz QBDASXLJQSIRJL-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001329969207 1334751049 /nfs/dbraw/zinc/75/10/49/1334751049.db2.gz AOTQPCUFCGMWRI-JSGCOSHPSA-N 2 0 335.414 2.250 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330766467 1334897895 /nfs/dbraw/zinc/89/78/95/1334897895.db2.gz AAXYWVDWHQLJAR-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001330919258 1334927368 /nfs/dbraw/zinc/92/73/68/1334927368.db2.gz UNVXBQGEAQLHGR-KBPBESRZSA-N 2 0 331.451 2.248 10 0 EEAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001331074049 1334958232 /nfs/dbraw/zinc/95/82/32/1334958232.db2.gz IJXUUNCXGZTOBT-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001331633274 1335049090 /nfs/dbraw/zinc/04/90/90/1335049090.db2.gz VETKEJFEIWSQRP-GOSISDBHSA-N 2 0 331.504 2.460 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001331943985 1335683785 /nfs/dbraw/zinc/68/37/85/1335683785.db2.gz LUQTYCWFCXWIDB-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001332460446 1335828982 /nfs/dbraw/zinc/82/89/82/1335828982.db2.gz RUDJVGZPDRZUBR-KGLIPLIRSA-N 2 0 335.414 2.131 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csc(Br)c1 ZINC001480530377 1338306652 /nfs/dbraw/zinc/30/66/52/1338306652.db2.gz FSQDAHCRZGBFNO-SNVBAGLBSA-N 2 0 348.310 2.057 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214848 1355900774 /nfs/dbraw/zinc/90/07/74/1355900774.db2.gz QLMRPBLVITYKIM-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2)C(=O)C[NH+]1CCCC1 ZINC001436330892 1342034869 /nfs/dbraw/zinc/03/48/69/1342034869.db2.gz NJSBPNKYZAMUGI-HXUWFJFHSA-N 2 0 341.499 2.304 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)[NH+]1CCCC1 ZINC001436358477 1342050122 /nfs/dbraw/zinc/05/01/22/1342050122.db2.gz PSLVBNLRORETQC-OTVXOJSOSA-N 2 0 343.462 2.391 10 0 EEAERP COCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001500265191 1342121977 /nfs/dbraw/zinc/12/19/77/1342121977.db2.gz PTQWPIOYDVXOGK-IEBWSBKVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC001565020386 1342552082 /nfs/dbraw/zinc/55/20/82/1342552082.db2.gz OANRWYQZRLTKFO-KRWDZBQOSA-N 2 0 326.529 2.384 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566871571 1342643485 /nfs/dbraw/zinc/64/34/85/1342643485.db2.gz GFGHQMAFMOOCLI-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001566946136 1342657467 /nfs/dbraw/zinc/65/74/67/1342657467.db2.gz DIWOCHNBRRVBCM-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001567048322 1342685697 /nfs/dbraw/zinc/68/56/97/1342685697.db2.gz TXKLAJDMUILQAG-IHRRRGAJSA-N 2 0 338.883 2.060 10 0 EEAERP CCCCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001569674815 1342922027 /nfs/dbraw/zinc/92/20/27/1342922027.db2.gz LLUPNCZZGIPVHG-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001570047009 1343004058 /nfs/dbraw/zinc/00/40/58/1343004058.db2.gz UCPNQAOAYCPNKT-RZDIXWSQSA-N 2 0 339.499 2.343 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCCCF ZINC001570446817 1343072286 /nfs/dbraw/zinc/07/22/86/1343072286.db2.gz ZELWIOBESRAQIF-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571464590 1343213825 /nfs/dbraw/zinc/21/38/25/1343213825.db2.gz OHMFFVIWTHTPKN-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676407209 1357147433 /nfs/dbraw/zinc/14/74/33/1357147433.db2.gz OZUWVUOSXHLLGH-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)CCCCC1 ZINC001676945117 1357246827 /nfs/dbraw/zinc/24/68/27/1357246827.db2.gz HYEXEDQVQHESTO-JKSUJKDBSA-N 2 0 327.488 2.343 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001676999111 1357258939 /nfs/dbraw/zinc/25/89/39/1357258939.db2.gz RLJWZXUEMYJUNN-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001677346388 1357317267 /nfs/dbraw/zinc/31/72/67/1357317267.db2.gz KUPZXOOMGOVRFN-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001647453324 1353282986 /nfs/dbraw/zinc/28/29/86/1353282986.db2.gz UKTQAFQGTQEWIR-LSDHHAIUSA-N 2 0 337.430 2.056 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001649315813 1353475289 /nfs/dbraw/zinc/47/52/89/1353475289.db2.gz ZTSNYJLJPUQVTG-OKZBNKHCSA-N 2 0 336.524 2.090 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@@H]2C1 ZINC001649360314 1353496859 /nfs/dbraw/zinc/49/68/59/1353496859.db2.gz NXJCFUTZRNEQNB-USXIJHARSA-N 2 0 326.444 2.361 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001656098436 1354200477 /nfs/dbraw/zinc/20/04/77/1354200477.db2.gz UXKRDCINXIEUIQ-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001656173824 1354210758 /nfs/dbraw/zinc/21/07/58/1354210758.db2.gz YKSPOJFWIYAKHO-JZXOWHBKSA-N 2 0 325.472 2.097 10 0 EEAERP C[C@@H](C(=O)NCCC[N@H+](C)Cc1cncs1)[NH+]1CCCCCC1 ZINC001660321343 1354439565 /nfs/dbraw/zinc/43/95/65/1354439565.db2.gz GJPLWRQZJFDOQD-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1oncc1C[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001660364651 1354449460 /nfs/dbraw/zinc/44/94/60/1354449460.db2.gz BPRRKDYJGLDRTP-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[C@@H]1CC(C)(C)CO1 ZINC001660541520 1354484717 /nfs/dbraw/zinc/48/47/17/1354484717.db2.gz CGOFENKOBDPSLK-ARFHVFGLSA-N 2 0 348.491 2.157 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@H]1CC[C@H](C)O1 ZINC001660553257 1354487961 /nfs/dbraw/zinc/48/79/61/1354487961.db2.gz HKOXWYFXCXZGBC-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001661235642 1354614998 /nfs/dbraw/zinc/61/49/98/1354614998.db2.gz LWNNWYHGLRDLEO-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661556597 1354659000 /nfs/dbraw/zinc/65/90/00/1354659000.db2.gz WNHBQLOTOWHCFU-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCOc3ccccc3)C2)C1 ZINC001661674010 1354671017 /nfs/dbraw/zinc/67/10/17/1354671017.db2.gz NRARHXUYYMKNEX-KURKYZTESA-N 2 0 345.487 2.034 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCc1ccccc1 ZINC001662314998 1354779467 /nfs/dbraw/zinc/77/94/67/1354779467.db2.gz SMNLPMWFANXVAV-AOIWGVFYSA-N 2 0 331.504 2.444 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001663625178 1355003614 /nfs/dbraw/zinc/00/36/14/1355003614.db2.gz NJQLOHNRMRZYOX-KRWDZBQOSA-N 2 0 327.488 2.296 10 0 EEAERP CCOC1CC(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001663931539 1355056668 /nfs/dbraw/zinc/05/66/68/1355056668.db2.gz MFPPFZUGQZDXIJ-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccnc(Cl)c1 ZINC001663968408 1355064150 /nfs/dbraw/zinc/06/41/50/1355064150.db2.gz QZKMYUGPYWDRFV-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ccc(OCC[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001664391358 1355152927 /nfs/dbraw/zinc/15/29/27/1355152927.db2.gz JAYFUKWGYAAVJY-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001664874390 1355248541 /nfs/dbraw/zinc/24/85/41/1355248541.db2.gz WRFZNMOJQVUITP-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)CC1 ZINC001666241009 1355492960 /nfs/dbraw/zinc/49/29/60/1355492960.db2.gz XLCPZYDXUZTSLM-UHFFFAOYSA-N 2 0 344.503 2.142 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001666240247 1355493156 /nfs/dbraw/zinc/49/31/56/1355493156.db2.gz KTTPNSUIGMBDOH-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001667285766 1355699104 /nfs/dbraw/zinc/69/91/04/1355699104.db2.gz UQYJMKTWHMHLQG-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116927 1355875266 /nfs/dbraw/zinc/87/52/66/1355875266.db2.gz BNVZZDSOHIYKHX-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668235113 1355905967 /nfs/dbraw/zinc/90/59/67/1355905967.db2.gz YEWNRWNCTMVZHB-IRXDYDNUSA-N 2 0 332.492 2.331 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001668274810 1355913894 /nfs/dbraw/zinc/91/38/94/1355913894.db2.gz ZUTWZOIKQPEMBN-JKSUJKDBSA-N 2 0 335.467 2.460 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001668319781 1355922787 /nfs/dbraw/zinc/92/27/87/1355922787.db2.gz KPJNQCVZFODECQ-ZDUSSCGKSA-N 2 0 327.419 2.289 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668469618 1355947036 /nfs/dbraw/zinc/94/70/36/1355947036.db2.gz VWVIUCYOPYPKSW-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863973 1356026273 /nfs/dbraw/zinc/02/62/73/1356026273.db2.gz BETMAUSQWAUKSB-SHCNBLLESA-N 2 0 346.475 2.152 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973400 1356059354 /nfs/dbraw/zinc/05/93/54/1356059354.db2.gz QFZYAXHEUZBSBE-SREVYHEPSA-N 2 0 348.491 2.182 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001669045928 1356075967 /nfs/dbraw/zinc/07/59/67/1356075967.db2.gz NRKYXKIZXPMTCI-JGUVHBTRSA-N 2 0 331.451 2.414 10 0 EEAERP CN(C)[C@H](C(=O)NC/C=C\CNCc1cscn1)c1ccccc1 ZINC001669208766 1356125624 /nfs/dbraw/zinc/12/56/24/1356125624.db2.gz VSSRUWCCUXJPBT-TUYSUELWSA-N 2 0 344.484 2.208 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c(C)o1 ZINC001670248743 1356303906 /nfs/dbraw/zinc/30/39/06/1356303906.db2.gz FYUWGRVVPYWZEF-UHFFFAOYSA-N 2 0 338.496 2.207 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001670312541 1356317293 /nfs/dbraw/zinc/31/72/93/1356317293.db2.gz KCDQTCKKCBQWQT-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)o1 ZINC001670353138 1356325212 /nfs/dbraw/zinc/32/52/12/1356325212.db2.gz PLQFZINZRBQVDZ-KBPBESRZSA-N 2 0 336.480 2.102 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCCF)C2)CC1 ZINC001672233500 1356485569 /nfs/dbraw/zinc/48/55/69/1356485569.db2.gz BWLPFIDHEMQPRU-WBVHZDCISA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001672994969 1356628707 /nfs/dbraw/zinc/62/87/07/1356628707.db2.gz OEDBDTKFPZRFHF-ULQDDVLXSA-N 2 0 327.488 2.485 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)CC1 ZINC001673401649 1356685620 /nfs/dbraw/zinc/68/56/20/1356685620.db2.gz FYMKVMGPTCPSIY-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001673747561 1356741922 /nfs/dbraw/zinc/74/19/22/1356741922.db2.gz ZCGIOISVRKFVJG-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001674034262 1356780409 /nfs/dbraw/zinc/78/04/09/1356780409.db2.gz ROXIGMILBSCRIN-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001674463210 1356838354 /nfs/dbraw/zinc/83/83/54/1356838354.db2.gz HUXUNRXIKKQPQD-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC001699539978 1405378741 /nfs/dbraw/zinc/37/87/41/1405378741.db2.gz ZVFCFMULEKWCQS-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)C[C@@H]3C2)CC1 ZINC001699990198 1405642599 /nfs/dbraw/zinc/64/25/99/1405642599.db2.gz WZEZPCLKBAXHEJ-HDICACEKSA-N 2 0 331.504 2.219 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846698032 790435093 /nfs/dbraw/zinc/43/50/93/790435093.db2.gz AOIMVIFRMBYZPN-KURKYZTESA-N 2 0 339.524 2.386 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000922938555 788362766 /nfs/dbraw/zinc/36/27/66/788362766.db2.gz SRZLWFYJRACKMG-LJQANCHMSA-N 2 0 347.503 2.114 10 0 EEAERP O=C([C@H](c1ccccc1)N1CCSCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918608 788476712 /nfs/dbraw/zinc/47/67/12/788476712.db2.gz GNFDWUOHPLLFSH-MSOLQXFVSA-N 2 0 345.512 2.083 10 0 EEAERP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711278041 788585459 /nfs/dbraw/zinc/58/54/59/788585459.db2.gz DEAMZGSLGNXNIU-ROUUACIJSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000923393808 789487665 /nfs/dbraw/zinc/48/76/65/789487665.db2.gz YKWAXJIVJAXBFB-HNBVOPMISA-N 2 0 348.487 2.096 10 0 EEAERP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1C ZINC000923450829 789582174 /nfs/dbraw/zinc/58/21/74/789582174.db2.gz JIHHJKQZFWCUNL-DLBZAZTESA-N 2 0 345.487 2.460 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923500640 789685370 /nfs/dbraw/zinc/68/53/70/789685370.db2.gz QHVSAWFWUDMJJK-NWDGAFQWSA-N 2 0 329.897 2.277 10 0 EEAERP CCCCOCCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505664 789690586 /nfs/dbraw/zinc/69/05/86/789690586.db2.gz PPIBIWOSYFCVPH-QGZVFWFLSA-N 2 0 339.524 2.021 10 0 EEAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)ccc1OC ZINC000846187997 790083183 /nfs/dbraw/zinc/08/31/83/790083183.db2.gz DQUGNUNVIXOOPA-JLJPHGGASA-N 2 0 333.476 2.452 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713378917 794563718 /nfs/dbraw/zinc/56/37/18/794563718.db2.gz OXYAFUIEAJGKOM-NWDGLCLDSA-N 2 0 327.472 2.141 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000914016895 794742125 /nfs/dbraw/zinc/74/21/25/794742125.db2.gz KECBHROEGKCZMO-APWZRJJASA-N 2 0 344.503 2.085 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914076089 794834582 /nfs/dbraw/zinc/83/45/82/794834582.db2.gz PPBRZQFDWSQTKI-WMZOPIPTSA-N 2 0 347.507 2.106 10 0 EEAERP C[Si](C)(C[NH+]1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1 ZINC001176104956 798352067 /nfs/dbraw/zinc/35/20/67/798352067.db2.gz BIZKWIPYPJSJPW-UHFFFAOYSA-N 2 0 332.564 2.374 10 0 EEAERP Cc1oc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](C)C3)c2)nc1C[NH3+] ZINC000827469527 800480263 /nfs/dbraw/zinc/48/02/63/800480263.db2.gz QLNONHWEYGTNJH-AWEZNQCLSA-N 2 0 328.416 2.389 10 0 EEAERP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)C2 ZINC000922391757 800956070 /nfs/dbraw/zinc/95/60/70/800956070.db2.gz ZKSPGXYLDLOAPO-XCJLJZCSSA-N 2 0 346.515 2.483 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000922557092 801304253 /nfs/dbraw/zinc/30/42/53/801304253.db2.gz HKERXGSJCIIWAG-VQIMIIECSA-N 2 0 330.520 2.399 10 0 EEAERP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[C@@H]2C1 ZINC000922791371 801897153 /nfs/dbraw/zinc/89/71/53/801897153.db2.gz WXNGDKMTMGOEMF-HHARLNAUSA-N 2 0 335.492 2.316 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000922801120 801946423 /nfs/dbraw/zinc/94/64/23/801946423.db2.gz CRZOCOOLXJARLV-KBPBESRZSA-N 2 0 339.281 2.351 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001566059603 1125534890 /nfs/dbraw/zinc/53/48/90/1125534890.db2.gz YOACAWANCMZNFD-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ccncc1C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001566453296 1125613961 /nfs/dbraw/zinc/61/39/61/1125613961.db2.gz JCOXOJCJSXHFHW-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001566465409 1125625450 /nfs/dbraw/zinc/62/54/50/1125625450.db2.gz QRLCUBKRQKNQMB-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001566491367 1125656320 /nfs/dbraw/zinc/65/63/20/1125656320.db2.gz VKVQSUSBBSGWOP-INIZCTEOSA-N 2 0 349.523 2.052 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001566533072 1125702898 /nfs/dbraw/zinc/70/28/98/1125702898.db2.gz KMESKEMYNFDNNS-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001436415127 1087770137 /nfs/dbraw/zinc/77/01/37/1087770137.db2.gz IYRBQAGMBCYXDT-IXDOHACOSA-N 2 0 347.507 2.062 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)[C@@H]1C ZINC001436516323 1088053652 /nfs/dbraw/zinc/05/36/52/1088053652.db2.gz WWEZXPVVWPHFNJ-KFWWJZLASA-N 2 0 331.451 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)C1 ZINC001436831995 1088447736 /nfs/dbraw/zinc/44/77/36/1088447736.db2.gz YOOJZGDXXKEHLH-IEBWSBKVSA-N 2 0 347.478 2.482 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001436922490 1088581326 /nfs/dbraw/zinc/58/13/26/1088581326.db2.gz AEZRNXWXQBXXLN-KKUMJFAQSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001436933830 1088605540 /nfs/dbraw/zinc/60/55/40/1088605540.db2.gz FJSINDLWVDECJL-KKUMJFAQSA-N 2 0 331.451 2.389 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001437000047 1088747576 /nfs/dbraw/zinc/74/75/76/1088747576.db2.gz TUQMFWVDJXROTN-IAGOWNOFSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001437041010 1088902860 /nfs/dbraw/zinc/90/28/60/1088902860.db2.gz ZJIPFHBUSPARQX-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001437219278 1089302662 /nfs/dbraw/zinc/30/26/62/1089302662.db2.gz IJNGWWBJOYFJFX-INIZCTEOSA-N 2 0 342.487 2.494 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001437487902 1089852046 /nfs/dbraw/zinc/85/20/46/1089852046.db2.gz YKJMDBGKGIOJBB-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccc(N(C)C)c1 ZINC001437627573 1090143268 /nfs/dbraw/zinc/14/32/68/1090143268.db2.gz ZIIDCMZUQCEHHE-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438370269 1090847625 /nfs/dbraw/zinc/84/76/25/1090847625.db2.gz GJEURCFPZNBCAN-SJLPKXTDSA-N 2 0 349.523 2.323 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC001438399419 1090887233 /nfs/dbraw/zinc/88/72/33/1090887233.db2.gz XHNXVQBUPXMFOB-CALCHBBNSA-N 2 0 344.503 2.473 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC001438408136 1090895624 /nfs/dbraw/zinc/89/56/24/1090895624.db2.gz YXGXOJYYDBWLLU-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001438769225 1091349698 /nfs/dbraw/zinc/34/96/98/1091349698.db2.gz GCZZGOYMBKCZKQ-QFBILLFUSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438833001 1091454794 /nfs/dbraw/zinc/45/47/94/1091454794.db2.gz FKNAGKRVVGKZID-WMZOPIPTSA-N 2 0 349.523 2.036 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445746152 1091577142 /nfs/dbraw/zinc/57/71/42/1091577142.db2.gz IXSBULSBEMBDNW-KBXCAEBGSA-N 2 0 333.451 2.104 10 0 EEAERP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001445773097 1091635515 /nfs/dbraw/zinc/63/55/15/1091635515.db2.gz YKRUTLNTPHUDNI-RDJZCZTQSA-N 2 0 332.492 2.462 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F)[NH+](C)C ZINC001439155012 1091796040 /nfs/dbraw/zinc/79/60/40/1091796040.db2.gz RNEJGWPPNCDTAM-RLCCDNCMSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001445885932 1091814739 /nfs/dbraw/zinc/81/47/39/1091814739.db2.gz RWYLRISQMHCUFA-HNNXBMFYSA-N 2 0 337.512 2.049 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1nc2ccccc2o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439168272 1091815655 /nfs/dbraw/zinc/81/56/55/1091815655.db2.gz RIGMVJVYZNDJRL-KGLIPLIRSA-N 2 0 342.443 2.079 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)n1 ZINC001445899123 1091826352 /nfs/dbraw/zinc/82/63/52/1091826352.db2.gz NVDYWDYMEGDLCE-AEFFLSMTSA-N 2 0 349.523 2.180 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001439214126 1091857571 /nfs/dbraw/zinc/85/75/71/1091857571.db2.gz KWMZYXSSWSJNII-BLLLJJGKSA-N 2 0 338.521 2.227 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001439228300 1091871927 /nfs/dbraw/zinc/87/19/27/1091871927.db2.gz POJLSXIFHMHUCD-JKSUJKDBSA-N 2 0 345.487 2.479 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC001445946974 1091885331 /nfs/dbraw/zinc/88/53/31/1091885331.db2.gz DRTGLKTWGHVHSL-IRXDYDNUSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439397464 1092149069 /nfs/dbraw/zinc/14/90/69/1092149069.db2.gz HLPIFHSQKYKHHS-DZGCQCFKSA-N 2 0 339.430 2.243 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CC2)c1C ZINC001446301814 1092471117 /nfs/dbraw/zinc/47/11/17/1092471117.db2.gz VXGXMHWQKREFJK-UHFFFAOYSA-N 2 0 333.476 2.082 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccc(F)cc1F ZINC001439595005 1092494865 /nfs/dbraw/zinc/49/48/65/1092494865.db2.gz OBHKIXLMCMMXLO-WBMJQRKESA-N 2 0 337.414 2.358 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCc2ccccc2F)CC1 ZINC001439676449 1092617985 /nfs/dbraw/zinc/61/79/85/1092617985.db2.gz MEJCLCOUAUEPBP-HOTGVXAUSA-N 2 0 347.478 2.479 10 0 EEAERP Cc1nc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c(C)o1 ZINC001439888546 1092944059 /nfs/dbraw/zinc/94/40/59/1092944059.db2.gz KPIUPCPRWJBJNJ-LJQANCHMSA-N 2 0 348.491 2.104 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001439906070 1092972477 /nfs/dbraw/zinc/97/24/77/1092972477.db2.gz SCSMJNLNORWVQT-YLJYHZDGSA-N 2 0 347.478 2.496 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001440176478 1093233787 /nfs/dbraw/zinc/23/37/87/1093233787.db2.gz ANJQIZUBUQIQCS-FXAWDEMLSA-N 2 0 347.503 2.033 10 0 EEAERP CC[N@H+](C)CCC(=O)NCc1cccc2c1CC[NH+](C[C@H](C)OC)C2 ZINC001440261652 1093365978 /nfs/dbraw/zinc/36/59/78/1093365978.db2.gz LKJGWFOVHVTUTM-INIZCTEOSA-N 2 0 347.503 2.038 10 0 EEAERP Cc1cccc(C[NH2+]C2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC2)c1 ZINC001440363057 1093526845 /nfs/dbraw/zinc/52/68/45/1093526845.db2.gz YTSKZHSUWZQJIY-GOSISDBHSA-N 2 0 329.488 2.465 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001448509973 1093536019 /nfs/dbraw/zinc/53/60/19/1093536019.db2.gz KHVLRMBHHFWTIL-RZDIXWSQSA-N 2 0 347.478 2.460 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001440407749 1093598838 /nfs/dbraw/zinc/59/88/38/1093598838.db2.gz VGMWCHIKTSUAIY-IXDOHACOSA-N 2 0 327.488 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001440465444 1093688063 /nfs/dbraw/zinc/68/80/63/1093688063.db2.gz NJJQZRYTNGLSBW-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)s1 ZINC001448660466 1093728207 /nfs/dbraw/zinc/72/82/07/1093728207.db2.gz MUCIHDNEBCUUNO-AAEUAGOBSA-N 2 0 329.897 2.432 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2Cc3ccccc3C[NH+]2CC2CC2)C1 ZINC001440533689 1093796755 /nfs/dbraw/zinc/79/67/55/1093796755.db2.gz GIDRTYIKZLUJDX-PXNSSMCTSA-N 2 0 341.499 2.281 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1Cc2ccccc2C[N@@H+]1CC1CC1 ZINC001440534657 1093798047 /nfs/dbraw/zinc/79/80/47/1093798047.db2.gz HFCPNDYGSHHYCU-LJQANCHMSA-N 2 0 327.472 2.035 10 0 EEAERP CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440540231 1093808278 /nfs/dbraw/zinc/80/82/78/1093808278.db2.gz SAFXVPIAQJIYKJ-HNNXBMFYSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001440612564 1093878511 /nfs/dbraw/zinc/87/85/11/1093878511.db2.gz FTZCCOHCVZAMNL-UHFFFAOYSA-N 2 0 348.491 2.363 10 0 EEAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)OC ZINC001440612109 1093878971 /nfs/dbraw/zinc/87/89/71/1093878971.db2.gz AFRCUARZGRMTIM-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001440728706 1093973625 /nfs/dbraw/zinc/97/36/25/1093973625.db2.gz CAXUTPBQCIGGRN-RTBURBONSA-N 2 0 329.488 2.104 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c1C ZINC001448981330 1093984728 /nfs/dbraw/zinc/98/47/28/1093984728.db2.gz LZECOQNXKWTWJS-DOTOQJQBSA-N 2 0 333.476 2.034 10 0 EEAERP Cc1ncc(C[NH2+]CC2CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C2)s1 ZINC001440752634 1093997493 /nfs/dbraw/zinc/99/74/93/1093997493.db2.gz QMEWJLCKNSTEEE-XUJLQICISA-N 2 0 338.521 2.022 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)C4(C[NH+](C)C)CC4)CCC[C@@H]23)C1 ZINC001449014324 1094016204 /nfs/dbraw/zinc/01/62/04/1094016204.db2.gz ONIIDWPISRHXFE-CVVKJMNTSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001440805373 1094051665 /nfs/dbraw/zinc/05/16/65/1094051665.db2.gz ZYDFDTJOYZKKCC-OLZOCXBDSA-N 2 0 339.430 2.432 10 0 EEAERP C[C@@H]([NH2+]Cc1sccc1Cl)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440859889 1094122037 /nfs/dbraw/zinc/12/20/37/1094122037.db2.gz OYOUXQQSSPXTBJ-NEPJUHHUSA-N 2 0 329.897 2.480 10 0 EEAERP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C[C@H]1CCOC1 ZINC001440951325 1094204938 /nfs/dbraw/zinc/20/49/38/1094204938.db2.gz FQBDPJJLAFVGQD-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001440964931 1094221375 /nfs/dbraw/zinc/22/13/75/1094221375.db2.gz VRDYGOIBRHFBQT-HNNXBMFYSA-N 2 0 334.508 2.402 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1conc1C ZINC001440980028 1094242050 /nfs/dbraw/zinc/24/20/50/1094242050.db2.gz BUTLAPZYYDALND-WBVHZDCISA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccnc1C ZINC001441040427 1094334694 /nfs/dbraw/zinc/33/46/94/1094334694.db2.gz VQIKUXLXMRAFQR-MAUKXSAKSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)o1 ZINC001449394180 1094371386 /nfs/dbraw/zinc/37/13/86/1094371386.db2.gz NCRXTRSKIFRKHC-UHFFFAOYSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001441090641 1094388593 /nfs/dbraw/zinc/38/85/93/1094388593.db2.gz QBYGGHDTDBHBTD-OALUTQOASA-N 2 0 346.519 2.447 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]Cc1cncs1)C1CC1 ZINC001441194924 1094554512 /nfs/dbraw/zinc/55/45/12/1094554512.db2.gz BBTBXBFQIUTJOI-HOCLYGCPSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001441202678 1094563971 /nfs/dbraw/zinc/56/39/71/1094563971.db2.gz XYSFPRQVCNYFDU-LZQZEXGQSA-N 2 0 329.488 2.320 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC001441343262 1094845951 /nfs/dbraw/zinc/84/59/51/1094845951.db2.gz WVSAEEZLXGFXRR-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1nccs1 ZINC001441404825 1094978854 /nfs/dbraw/zinc/97/88/54/1094978854.db2.gz PSAZOHMSVNOUHI-CQSZACIVSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001441565999 1095324189 /nfs/dbraw/zinc/32/41/89/1095324189.db2.gz MDWRCICXELLFLL-ZIAGYGMSSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1Cl ZINC001441646611 1095593186 /nfs/dbraw/zinc/59/31/86/1095593186.db2.gz IXKSUIRZIAVYEK-CQSZACIVSA-N 2 0 335.879 2.372 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc3ccccc3o2)[C@H]1C ZINC001441822756 1095860403 /nfs/dbraw/zinc/86/04/03/1095860403.db2.gz JBYBUOZPYXIOLK-CABCVRRESA-N 2 0 344.459 2.249 10 0 EEAERP Cc1nccnc1C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001441873089 1095988591 /nfs/dbraw/zinc/98/85/91/1095988591.db2.gz LGAVXZLHVNUPNJ-CQSZACIVSA-N 2 0 347.507 2.032 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001441890101 1096026397 /nfs/dbraw/zinc/02/63/97/1096026397.db2.gz ZQNKNHALAKGDAB-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)oc1C ZINC001441896875 1096046618 /nfs/dbraw/zinc/04/66/18/1096046618.db2.gz JCYFOEWVQWXKBG-CVEARBPZSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001442113787 1096344633 /nfs/dbraw/zinc/34/46/33/1096344633.db2.gz LXPWKRHEYQCRJZ-AWEZNQCLSA-N 2 0 346.500 2.421 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC001442184070 1096453693 /nfs/dbraw/zinc/45/36/93/1096453693.db2.gz WUAFWSKHEJLXKI-CQSZACIVSA-N 2 0 333.467 2.492 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)o1 ZINC001442186792 1096457915 /nfs/dbraw/zinc/45/79/15/1096457915.db2.gz SDJNSADWUWCJPV-HNNXBMFYSA-N 2 0 338.496 2.118 10 0 EEAERP CC[C@H](C(=O)NC1(C2CC[NH+](Cc3cnc(C)o3)CC2)CC1)[NH+](C)C ZINC001442268412 1096573255 /nfs/dbraw/zinc/57/32/55/1096573255.db2.gz NAXCDDCCYCQKOT-QGZVFWFLSA-N 2 0 348.491 2.184 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](Cc3cc(C)no3)CC2)CC1 ZINC001442268809 1096574580 /nfs/dbraw/zinc/57/45/80/1096574580.db2.gz PHYXRGXTORESFN-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001442320587 1096639351 /nfs/dbraw/zinc/63/93/51/1096639351.db2.gz GLOITVUOAWWXAS-CQSZACIVSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001442344027 1096666876 /nfs/dbraw/zinc/66/68/76/1096666876.db2.gz ZHCLNMQUQLIXCV-CYBMUJFWSA-N 2 0 326.872 2.060 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1OC1CC1 ZINC001442742198 1097117350 /nfs/dbraw/zinc/11/73/50/1097117350.db2.gz ACXVTJZXCKWKCJ-KRWDZBQOSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC001442813255 1097198551 /nfs/dbraw/zinc/19/85/51/1097198551.db2.gz HZQDXRZLUPCVAX-PBHICJAKSA-N 2 0 335.517 2.479 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001442853237 1097247129 /nfs/dbraw/zinc/24/71/29/1097247129.db2.gz ZHLIOOWVVYZARN-OAHLLOKOSA-N 2 0 338.521 2.181 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001443188487 1097632384 /nfs/dbraw/zinc/63/23/84/1097632384.db2.gz ORCCKLWPNIJCDD-UONOGXRCSA-N 2 0 335.414 2.203 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443241315 1097708880 /nfs/dbraw/zinc/70/88/80/1097708880.db2.gz IIJUNZPFKZZBAH-CRAIPNDOSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001443810864 1098305674 /nfs/dbraw/zinc/30/56/74/1098305674.db2.gz LOCVEXKSCONZOV-IRXDYDNUSA-N 2 0 332.492 2.414 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001443879102 1098404836 /nfs/dbraw/zinc/40/48/36/1098404836.db2.gz NYJJJGSLWRCILW-SFHVURJKSA-N 2 0 347.478 2.387 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001479486331 1098560842 /nfs/dbraw/zinc/56/08/42/1098560842.db2.gz FMAJVBCFPXOBQT-FUHWJXTLSA-N 2 0 339.499 2.343 10 0 EEAERP CC1(C)C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CCF)C1 ZINC001479748669 1098890743 /nfs/dbraw/zinc/89/07/43/1098890743.db2.gz ZWNOFNUQNNOGDO-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001479757128 1098910953 /nfs/dbraw/zinc/91/09/53/1098910953.db2.gz JOSVOMVSXXCMHI-QFBILLFUSA-N 2 0 344.503 2.060 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001444382585 1098967811 /nfs/dbraw/zinc/96/78/11/1098967811.db2.gz CPSGGWGSUQQCGJ-KBXCAEBGSA-N 2 0 345.462 2.251 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)c1c(F)cccc1F ZINC001444394698 1098990309 /nfs/dbraw/zinc/99/03/09/1098990309.db2.gz ZMUFULBTEMDINN-QWHCGFSZSA-N 2 0 327.419 2.319 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C[C@@H]1CCOC1 ZINC001479855649 1099156679 /nfs/dbraw/zinc/15/66/79/1099156679.db2.gz CCVITVVSRRXSPX-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444768403 1099666745 /nfs/dbraw/zinc/66/67/45/1099666745.db2.gz AMSNJQBGRGFHQP-DLBZAZTESA-N 2 0 335.467 2.398 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001480221197 1099838343 /nfs/dbraw/zinc/83/83/43/1099838343.db2.gz QWSDYOVWZWGADI-HDICACEKSA-N 2 0 340.471 2.313 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001444887740 1099923382 /nfs/dbraw/zinc/92/33/82/1099923382.db2.gz FMGFKRBUKHTWQA-VDZJLULYSA-N 2 0 346.519 2.351 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001480286713 1099994974 /nfs/dbraw/zinc/99/49/74/1099994974.db2.gz UCBMUBZYXQABLH-AUPUMLSVSA-N 2 0 327.900 2.442 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ocnc2C)C1 ZINC001480386032 1100185362 /nfs/dbraw/zinc/18/53/62/1100185362.db2.gz JHAOQQGZFFLMDM-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP CCCC[NH2+]C1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001480405079 1100219423 /nfs/dbraw/zinc/21/94/23/1100219423.db2.gz LLTZFHINZBWKFH-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001480478948 1100285988 /nfs/dbraw/zinc/28/59/88/1100285988.db2.gz CBNGPXIFEMCICM-FUHWJXTLSA-N 2 0 346.519 2.221 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001445366603 1100602852 /nfs/dbraw/zinc/60/28/52/1100602852.db2.gz MZZKVJQSRJOLFX-RHSMWYFYSA-N 2 0 333.451 2.070 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001446474457 1100899751 /nfs/dbraw/zinc/89/97/51/1100899751.db2.gz AOSYHXLAPJZCLG-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CCc2ccccc2F)CC1 ZINC001446477879 1100905254 /nfs/dbraw/zinc/90/52/54/1100905254.db2.gz OQBNTHKNEVQIMQ-UHFFFAOYSA-N 2 0 347.478 2.435 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ncccc1C)C1CCCC1)[NH+](C)C ZINC001446494106 1100937200 /nfs/dbraw/zinc/93/72/00/1100937200.db2.gz CERFACBFGSBOSA-RTBURBONSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001495280630 1100978663 /nfs/dbraw/zinc/97/86/63/1100978663.db2.gz PIVXNBPGPSTIKF-ICSRJNTNSA-N 2 0 346.519 2.413 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001496402677 1100995360 /nfs/dbraw/zinc/99/53/60/1100995360.db2.gz CHYLBEAIZBWVHZ-DOTOQJQBSA-N 2 0 348.491 2.192 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)c1 ZINC001446540765 1101002139 /nfs/dbraw/zinc/00/21/39/1101002139.db2.gz ITOKIPQYGNHMBN-FQEVSTJZSA-N 2 0 346.519 2.175 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496451827 1101043551 /nfs/dbraw/zinc/04/35/51/1101043551.db2.gz YHLHBWOZPUEOJB-UKRRQHHQSA-N 2 0 338.521 2.120 10 0 EEAERP COCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496477701 1101069220 /nfs/dbraw/zinc/06/92/20/1101069220.db2.gz AJHYCMGEAFYTEW-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP CC1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC[NH+](CCF)CC1 ZINC001446655113 1101175149 /nfs/dbraw/zinc/17/51/49/1101175149.db2.gz WCNAMAXTKABANG-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001446722992 1101293707 /nfs/dbraw/zinc/29/37/07/1101293707.db2.gz DQEJLLQFHOCMQX-GJZGRUSLSA-N 2 0 333.467 2.448 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cccc(Cl)n1 ZINC001495690974 1101442968 /nfs/dbraw/zinc/44/29/68/1101442968.db2.gz KBGYFAAFCBFBJA-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001496886131 1101666666 /nfs/dbraw/zinc/66/66/66/1101666666.db2.gz FBGFQOVGFXDVJW-YJBOKZPZSA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001446980213 1101694189 /nfs/dbraw/zinc/69/41/89/1101694189.db2.gz JTIADCKWHRVHLC-ZIFCJYIRSA-N 2 0 327.472 2.016 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCF ZINC001447032812 1101788549 /nfs/dbraw/zinc/78/85/49/1101788549.db2.gz BJQZDILEOIAQTM-SJORKVTESA-N 2 0 325.472 2.287 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001497185394 1102090365 /nfs/dbraw/zinc/09/03/65/1102090365.db2.gz GEJSTTBQOUCYIC-ZBFHGGJFSA-N 2 0 348.491 2.409 10 0 EEAERP CCc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001497214950 1102137640 /nfs/dbraw/zinc/13/76/40/1102137640.db2.gz KOQGKEQXAJFFLY-HIFRSBDPSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149931 1102140986 /nfs/dbraw/zinc/14/09/86/1102140986.db2.gz OZEKFBAYQPBHIX-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496156457 1102149070 /nfs/dbraw/zinc/14/90/70/1102149070.db2.gz YRLUIIYGZPAOKF-DLBZAZTESA-N 2 0 343.515 2.454 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496194807 1102200563 /nfs/dbraw/zinc/20/05/63/1102200563.db2.gz KSKYVCAITHWNBW-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C1CC[NH+](C)CC1 ZINC001497263045 1102215035 /nfs/dbraw/zinc/21/50/35/1102215035.db2.gz KODKXWPIMLCCOJ-HNNXBMFYSA-N 2 0 345.487 2.043 10 0 EEAERP C[C@H]1C[C@H](C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)CCO1 ZINC001447233388 1102252197 /nfs/dbraw/zinc/25/21/97/1102252197.db2.gz KNELGGRRCMJAAW-DLBZAZTESA-N 2 0 349.519 2.058 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497303422 1102284244 /nfs/dbraw/zinc/28/42/44/1102284244.db2.gz GTMYITINHQJOPP-WMZOPIPTSA-N 2 0 346.519 2.079 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)CC1 ZINC001447293822 1102380339 /nfs/dbraw/zinc/38/03/39/1102380339.db2.gz DXAMKFKNLYSCAV-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CCC1([NH2+]Cc2cc(C)on2)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001447431984 1102643548 /nfs/dbraw/zinc/64/35/48/1102643548.db2.gz XKEJELLLNIJXST-OAHLLOKOSA-N 2 0 348.491 2.186 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001497580797 1102695404 /nfs/dbraw/zinc/69/54/04/1102695404.db2.gz XVMQYJASIYSTGW-VZSQWMKGSA-N 2 0 345.487 2.330 10 0 EEAERP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001497589216 1102708691 /nfs/dbraw/zinc/70/86/91/1102708691.db2.gz ZKSXCHAESHXLFS-CHYADLBTSA-N 2 0 333.480 2.098 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(F)cccc2F)[C@@H](C)C1 ZINC001447532785 1102797025 /nfs/dbraw/zinc/79/70/25/1102797025.db2.gz BOXMHQAXWAVFTK-GUYCJALGSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001447571805 1102888499 /nfs/dbraw/zinc/88/84/99/1102888499.db2.gz TZYNGWVQPSPAHM-DYVFJYSZSA-N 2 0 339.430 2.242 10 0 EEAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)[NH+]1CCCCCC1 ZINC001497691279 1102912583 /nfs/dbraw/zinc/91/25/83/1102912583.db2.gz KYUDXLTZUAQDLX-WSNITJDQSA-N 2 0 335.414 2.465 10 0 EEAERP O=C(Cn1ccnc1)NCC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001494085808 1103498151 /nfs/dbraw/zinc/49/81/51/1103498151.db2.gz ZRUSAYMNDFCTBZ-OAHLLOKOSA-N 2 0 330.407 2.051 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2ncccc2c1 ZINC001448143129 1104098255 /nfs/dbraw/zinc/09/82/55/1104098255.db2.gz CQQLQUXWPVJTNA-YJBOKZPZSA-N 2 0 340.471 2.123 10 0 EEAERP O=C(Cc1ncc[nH]1)NCC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC001494607213 1104191661 /nfs/dbraw/zinc/19/16/61/1104191661.db2.gz RAGLHYUTZXSMFL-UHFFFAOYSA-N 2 0 340.452 2.415 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC001494632267 1104216220 /nfs/dbraw/zinc/21/62/20/1104216220.db2.gz GURGZBGPHNVGER-KRWDZBQOSA-N 2 0 343.515 2.180 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CCc2cccs2)C1)[NH+]1CCCC1 ZINC001494633141 1104217215 /nfs/dbraw/zinc/21/72/15/1104217215.db2.gz NWAQMMIJCFCTQK-SFHVURJKSA-N 2 0 349.544 2.459 10 0 EEAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncc(F)c1 ZINC001494998645 1104639698 /nfs/dbraw/zinc/63/96/98/1104639698.db2.gz FXQXQYSEDYQPKU-SJORKVTESA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(C)ccc1OC ZINC001495059504 1104696817 /nfs/dbraw/zinc/69/68/17/1104696817.db2.gz UYPHYOUHYIJLQF-FUHWJXTLSA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)o2)C12CCC2 ZINC001454169504 1106804537 /nfs/dbraw/zinc/80/45/37/1106804537.db2.gz IFIFEACFMHOTNB-SJORKVTESA-N 2 0 331.460 2.478 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)sc1C ZINC001498042234 1106823163 /nfs/dbraw/zinc/82/31/63/1106823163.db2.gz MNXZDHIWHFJJAG-WFASDCNBSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001480659219 1106832346 /nfs/dbraw/zinc/83/23/46/1106832346.db2.gz PGSMUFDOWOHXMV-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498055980 1106851766 /nfs/dbraw/zinc/85/17/66/1106851766.db2.gz ZTQWLVLXYCUMOI-DZGCQCFKSA-N 2 0 336.480 2.014 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001480679490 1106868480 /nfs/dbraw/zinc/86/84/80/1106868480.db2.gz NXAABTGQXZORGJ-QBUQCISBSA-N 2 0 327.472 2.234 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480710872 1106933922 /nfs/dbraw/zinc/93/39/22/1106933922.db2.gz UFOPAMINQYIACQ-DLBZAZTESA-N 2 0 348.491 2.376 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCOCC)C2)C1 ZINC001480733503 1107004536 /nfs/dbraw/zinc/00/45/36/1107004536.db2.gz NGHWUCFGEBVGLJ-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001480794266 1107128791 /nfs/dbraw/zinc/12/87/91/1107128791.db2.gz YEMYYUZGDXMNMX-WBVHZDCISA-N 2 0 347.507 2.032 10 0 EEAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001480803068 1107144451 /nfs/dbraw/zinc/14/44/51/1107144451.db2.gz IHSYZBKCMWMAGM-TZMCWYRMSA-N 2 0 326.872 2.060 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001480824802 1107196817 /nfs/dbraw/zinc/19/68/17/1107196817.db2.gz XSMMEZYORDFALQ-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498314396 1107274367 /nfs/dbraw/zinc/27/43/67/1107274367.db2.gz RXXNFPSXBBHUIO-KGLIPLIRSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccccc1F)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001498381010 1107424668 /nfs/dbraw/zinc/42/46/68/1107424668.db2.gz LZDSZIMBPLPYLY-HZPDHXFCSA-N 2 0 335.467 2.147 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCF)[NH+]1CCCC1 ZINC001498493923 1107631466 /nfs/dbraw/zinc/63/14/66/1107631466.db2.gz YTMRTAOVYZTAGQ-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]CCOC2CCC2)ccc2c[nH+]cn21 ZINC001498567997 1107734401 /nfs/dbraw/zinc/73/44/01/1107734401.db2.gz JKAYERUEVGMLBO-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498629315 1107841591 /nfs/dbraw/zinc/84/15/91/1107841591.db2.gz KUWSBNIAXWAZCD-UHFFFAOYSA-N 2 0 346.500 2.457 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)s1 ZINC001498636712 1107858320 /nfs/dbraw/zinc/85/83/20/1107858320.db2.gz IIXLZJPVTYBXEI-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001498637888 1107864308 /nfs/dbraw/zinc/86/43/08/1107864308.db2.gz YJIJQSMBNYOEKZ-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cc1F ZINC001498734914 1107996249 /nfs/dbraw/zinc/99/62/49/1107996249.db2.gz ANKZBGMFEOJYCN-ROUUACIJSA-N 2 0 333.451 2.213 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001498762573 1108051604 /nfs/dbraw/zinc/05/16/04/1108051604.db2.gz VJZBKBWABPRVFE-JKSUJKDBSA-N 2 0 343.462 2.389 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCc2cccs2)C2CC2)CC1 ZINC001498815859 1108156763 /nfs/dbraw/zinc/15/67/63/1108156763.db2.gz DKFCWCWLXXJBMH-KRWDZBQOSA-N 2 0 335.517 2.117 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cnccc1C)C1CC1 ZINC001498878236 1108267225 /nfs/dbraw/zinc/26/72/25/1108267225.db2.gz ZPRGWPNFFBVJEK-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1coc(C)n1 ZINC001498894981 1108291955 /nfs/dbraw/zinc/29/19/55/1108291955.db2.gz YLGVSZNPILGRNB-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493550194 1108298206 /nfs/dbraw/zinc/29/82/06/1108298206.db2.gz LTLVNVKRSZUIAU-GOEBONIOSA-N 2 0 343.462 2.202 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001499066014 1108528636 /nfs/dbraw/zinc/52/86/36/1108528636.db2.gz AVQCMTHRBMBZLF-XLIONFOSSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001493720392 1108565524 /nfs/dbraw/zinc/56/55/24/1108565524.db2.gz LQFPOXJVJFTDGP-WMZOPIPTSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)n1C1CC1 ZINC001471108884 1110517532 /nfs/dbraw/zinc/51/75/32/1110517532.db2.gz GPPGVJMYZAXJJZ-IAGOWNOFSA-N 2 0 346.519 2.251 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC001499421741 1112278699 /nfs/dbraw/zinc/27/86/99/1112278699.db2.gz PMZBQBOBZYHJIG-DOTOQJQBSA-N 2 0 348.466 2.080 10 0 EEAERP COCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001499482095 1112313147 /nfs/dbraw/zinc/31/31/47/1112313147.db2.gz UBRAIIRKYXPDBL-MSOLQXFVSA-N 2 0 348.491 2.013 10 0 EEAERP O=C(Cc1c[nH]cn1)NCC[N@H+](C[C@@H]1CCOC1)C1CCCCCC1 ZINC001499523077 1112338925 /nfs/dbraw/zinc/33/89/25/1112338925.db2.gz YZDRXUTZPJJHCQ-INIZCTEOSA-N 2 0 348.491 2.130 10 0 EEAERP CCCCC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001499538678 1112353038 /nfs/dbraw/zinc/35/30/38/1112353038.db2.gz KDYXDNHDUBTZNW-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001499939955 1112548760 /nfs/dbraw/zinc/54/87/60/1112548760.db2.gz SRYXURZKIVANFB-YCOJEUHLSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CCCC2)c1 ZINC001500127139 1112629961 /nfs/dbraw/zinc/62/99/61/1112629961.db2.gz RSMHEODJEANHTJ-MOPGFXCFSA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500502694 1112894700 /nfs/dbraw/zinc/89/47/00/1112894700.db2.gz ZEWWOWALBPRKDU-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001501077258 1113190170 /nfs/dbraw/zinc/19/01/70/1113190170.db2.gz WPHDDEVPMHKZBI-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001501152712 1113216731 /nfs/dbraw/zinc/21/67/31/1113216731.db2.gz CVKVHEPFZOVTCX-NPBXNOLGSA-N 2 0 336.307 2.330 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc4cc[nH]c4c3)CCC2)C1 ZINC001502026110 1113563447 /nfs/dbraw/zinc/56/34/47/1113563447.db2.gz MMVZIMWFYLAEKV-KRWDZBQOSA-N 2 0 340.471 2.248 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2c3ccccc3CC[NH+]2CC2CC2)C1 ZINC001503690115 1113898915 /nfs/dbraw/zinc/89/89/15/1113898915.db2.gz FCHSLNUZPDLCKV-FXAWDEMLSA-N 2 0 341.499 2.454 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001505410435 1113944860 /nfs/dbraw/zinc/94/48/60/1113944860.db2.gz PADSMZHGXMYOBQ-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)CCOC)c1ccccc1 ZINC001505455456 1113989795 /nfs/dbraw/zinc/98/97/95/1113989795.db2.gz BAKHAJJKFRJZAD-RBUKOAKNSA-N 2 0 347.503 2.249 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505606618 1114082022 /nfs/dbraw/zinc/08/20/22/1114082022.db2.gz UXWBJQPOGPLGQM-CVEARBPZSA-N 2 0 327.513 2.159 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505631268 1114096850 /nfs/dbraw/zinc/09/68/50/1114096850.db2.gz AGEQZGLZUIXRJI-IRXDYDNUSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001505668189 1114119670 /nfs/dbraw/zinc/11/96/70/1114119670.db2.gz UYUOXCURTDCCKC-QWHCGFSZSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001505679223 1114126978 /nfs/dbraw/zinc/12/69/78/1114126978.db2.gz TUNXZOHFPUQLNV-CHWSQXEVSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001506483870 1114641556 /nfs/dbraw/zinc/64/15/56/1114641556.db2.gz AVOXQDWOTCRQIA-MOPGFXCFSA-N 2 0 346.519 2.304 10 0 EEAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001506816736 1114893167 /nfs/dbraw/zinc/89/31/67/1114893167.db2.gz ATUJMNCUOVZSQA-OKYOBFRVSA-N 2 0 329.488 2.383 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001506841915 1114906621 /nfs/dbraw/zinc/90/66/21/1114906621.db2.gz QKRLCMIORIUHRS-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3conc3C)C[C@H]2C1 ZINC001506852985 1114915750 /nfs/dbraw/zinc/91/57/50/1114915750.db2.gz AADDVAXSUSDGGQ-LZLYRXPVSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001506930509 1114981821 /nfs/dbraw/zinc/98/18/21/1114981821.db2.gz WMLDDVPSWPUDMV-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506933448 1114984035 /nfs/dbraw/zinc/98/40/35/1114984035.db2.gz MNBFQRGIKRRDFA-GOEBONIOSA-N 2 0 336.480 2.267 10 0 EEAERP C[C@@H](CCC[NH2+]C[C@@H](O)c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506936677 1114986327 /nfs/dbraw/zinc/98/63/27/1114986327.db2.gz UTYWSMCYXSWNMD-YTQUADARSA-N 2 0 347.503 2.079 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001507014160 1115054584 /nfs/dbraw/zinc/05/45/84/1115054584.db2.gz WJDMCMUXSQZSPF-FYUFSVPTSA-N 2 0 327.900 2.438 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001507034593 1115071254 /nfs/dbraw/zinc/07/12/54/1115071254.db2.gz SRGKRDOWYPUHJG-BBRMVZONSA-N 2 0 343.462 2.200 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001507108598 1115112720 /nfs/dbraw/zinc/11/27/20/1115112720.db2.gz XCYQTCOCENLUEZ-CQSZACIVSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001507118762 1115117689 /nfs/dbraw/zinc/11/76/89/1115117689.db2.gz QDIINWOCXSLVNI-LRDDRELGSA-N 2 0 339.430 2.340 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1Cl ZINC001507120568 1115118696 /nfs/dbraw/zinc/11/86/96/1115118696.db2.gz ZRQWLZHYNMEPHA-AWEZNQCLSA-N 2 0 325.884 2.271 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)sn1 ZINC001507131918 1115125281 /nfs/dbraw/zinc/12/52/81/1115125281.db2.gz XODAURIZFQPSLW-CQSZACIVSA-N 2 0 338.521 2.120 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1C ZINC001507161093 1115141232 /nfs/dbraw/zinc/14/12/32/1115141232.db2.gz IOICVVVEPKZLKT-HNNXBMFYSA-N 2 0 335.492 2.280 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507359228 1115220928 /nfs/dbraw/zinc/22/09/28/1115220928.db2.gz YHPABXPGIVSGQN-LNLFQRSKSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CCOc2ccccc2)C1 ZINC001507427796 1115263240 /nfs/dbraw/zinc/26/32/40/1115263240.db2.gz LIHDBNUFTCSOTJ-QZTJIDSGSA-N 2 0 345.487 2.036 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC001508016842 1115389312 /nfs/dbraw/zinc/38/93/12/1115389312.db2.gz YRTUBGNFSNMCMD-KGLIPLIRSA-N 2 0 333.467 2.494 10 0 EEAERP CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508089650 1115417261 /nfs/dbraw/zinc/41/72/61/1115417261.db2.gz YDNNEDUGBTZVLR-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)o1 ZINC001508205185 1115443637 /nfs/dbraw/zinc/44/36/37/1115443637.db2.gz CZCRXGZJARLGCR-UHFFFAOYSA-N 2 0 346.475 2.024 10 0 EEAERP C[C@@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001508222429 1115451250 /nfs/dbraw/zinc/45/12/50/1115451250.db2.gz LLSMSSJSUAOEDB-VQIMIIECSA-N 2 0 349.519 2.034 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)CC[NH+](C)C ZINC001538429075 1124027295 /nfs/dbraw/zinc/02/72/95/1124027295.db2.gz CRAAGDYXPHMDLT-HNNXBMFYSA-N 2 0 332.492 2.273 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001567841401 1124137088 /nfs/dbraw/zinc/13/70/88/1124137088.db2.gz ZJHCAXNPKXQOHD-GOSISDBHSA-N 2 0 345.478 2.387 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001568041572 1124246450 /nfs/dbraw/zinc/24/64/50/1124246450.db2.gz RZCGPJWQHDJQHT-MAUKXSAKSA-N 2 0 327.488 2.343 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568749193 1124763063 /nfs/dbraw/zinc/76/30/63/1124763063.db2.gz FMDRIKVTDODEPC-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CCc1ccc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001568826634 1124843308 /nfs/dbraw/zinc/84/33/08/1124843308.db2.gz FNFURSVUYCNGAQ-HMECNJMJSA-N 2 0 329.488 2.148 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001568872212 1124897206 /nfs/dbraw/zinc/89/72/06/1124897206.db2.gz UTHBGQRUTWEUGR-OGZRUICASA-N 2 0 325.403 2.067 10 0 EEAERP CC(C)(C)CC[NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001568870344 1124897369 /nfs/dbraw/zinc/89/73/69/1124897369.db2.gz BKAJJCIGRMUGOA-SREVYHEPSA-N 2 0 339.524 2.043 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001569202078 1125161311 /nfs/dbraw/zinc/16/13/11/1125161311.db2.gz UIYBZGXOMMAGCC-AEFFLSMTSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001569268691 1125208473 /nfs/dbraw/zinc/20/84/73/1125208473.db2.gz JCDWVXIFLDFWLU-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000052593363 214135944 /nfs/dbraw/zinc/13/59/44/214135944.db2.gz NJTCSQIOPVCLCY-IBGZPJMESA-N 2 0 344.503 2.388 10 0 EEAERP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1O2 ZINC000237070366 282723924 /nfs/dbraw/zinc/72/39/24/282723924.db2.gz SFGXTEUXWPSJAL-QGZVFWFLSA-N 2 0 343.471 2.090 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000069329721 215379586 /nfs/dbraw/zinc/37/95/86/215379586.db2.gz OWELGQHIBFLYDD-KRWDZBQOSA-N 2 0 342.487 2.114 10 0 EEAERP CCn1c(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)nc2ccccc21 ZINC000069349858 215384062 /nfs/dbraw/zinc/38/40/62/215384062.db2.gz IOTNPHZHABHTSC-OAHLLOKOSA-N 2 0 330.476 2.239 10 0 EEAERP Cc1ccc([C@H](CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422828610 240247483 /nfs/dbraw/zinc/24/74/83/240247483.db2.gz ONUVRRYLZCTZTD-ACRUOGEOSA-N 2 0 343.515 2.489 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140443 240380807 /nfs/dbraw/zinc/38/08/07/240380807.db2.gz YGXCJVBIYAUABJ-ZCNNSNEGSA-N 2 0 343.515 2.385 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751578 242218967 /nfs/dbraw/zinc/21/89/67/242218967.db2.gz LJPHJYNUOCEGBE-QFBILLFUSA-N 2 0 343.475 2.350 10 0 EEAERP Oc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1Br ZINC000459376236 245098238 /nfs/dbraw/zinc/09/82/38/245098238.db2.gz NJXJGNNAEDSWCE-UHFFFAOYSA-N 2 0 343.265 2.357 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000266638333 248393176 /nfs/dbraw/zinc/39/31/76/248393176.db2.gz BGZWHMGVWRDBCX-BHIYHBOVSA-N 2 0 344.503 2.385 10 0 EEAERP COCCN1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000273024995 256258161 /nfs/dbraw/zinc/25/81/61/256258161.db2.gz FFOYQPZKVNLMFA-INIZCTEOSA-N 2 0 348.422 2.119 10 0 EEAERP CCOC(C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)OCC ZINC000184962665 285987611 /nfs/dbraw/zinc/98/76/11/285987611.db2.gz NILLPCPDUDFCJD-HZPDHXFCSA-N 2 0 328.497 2.207 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000079734647 292197413 /nfs/dbraw/zinc/19/74/13/292197413.db2.gz IFCZTIORJGGULG-LJQANCHMSA-N 2 0 346.519 2.335 10 0 EEAERP Cc1cc(F)cc2[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000116752631 292236247 /nfs/dbraw/zinc/23/62/47/292236247.db2.gz IMMOXRJYYWKKHB-UHFFFAOYSA-N 2 0 334.439 2.181 10 0 EEAERP O=C(C[NH2+]C1(c2cccc(F)c2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000341856664 161019092 /nfs/dbraw/zinc/01/90/92/161019092.db2.gz YQWNKYSSDSFTDY-UHFFFAOYSA-N 2 0 331.435 2.147 10 0 EEAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343190967 161111619 /nfs/dbraw/zinc/11/16/19/161111619.db2.gz HAESICFTFDJCGV-MIALQEHNSA-N 2 0 331.504 2.336 10 0 EEAERP OC[C@H]([NH2+]C/C=C/C[NH2+][C@@H](CO)c1ccsc1)c1ccsc1 ZINC000352019457 162032020 /nfs/dbraw/zinc/03/20/20/162032020.db2.gz FEOVTJHWKSGPOY-POHSLCEDSA-N 2 0 338.498 2.312 10 0 EEAERP CCSCC[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000355770921 163296812 /nfs/dbraw/zinc/29/68/12/163296812.db2.gz DHLUEEOKMPUTEA-UHFFFAOYSA-N 2 0 335.517 2.355 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000356091799 163331397 /nfs/dbraw/zinc/33/13/97/163331397.db2.gz MMXOFIFWABWQPW-ZBFHGGJFSA-N 2 0 338.521 2.334 10 0 EEAERP CC(C)COCCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000358910112 164013614 /nfs/dbraw/zinc/01/36/14/164013614.db2.gz YIBZGPLRWRAUQY-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H]1CCCCO1 ZINC000359182430 164077280 /nfs/dbraw/zinc/07/72/80/164077280.db2.gz AZRNWWYQZJNDOP-GOSISDBHSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(OC)CCOC2)CC1 ZINC000359656411 164146232 /nfs/dbraw/zinc/14/62/32/164146232.db2.gz XIRKOIBEZRUFTP-HXUWFJFHSA-N 2 0 347.503 2.114 10 0 EEAERP CCCN(CC[NH+](CC)CC)C(=O)NCc1cccnc1N(C)C ZINC000360263478 164271936 /nfs/dbraw/zinc/27/19/36/164271936.db2.gz YFZMSMFKAFULGC-UHFFFAOYSA-N 2 0 335.496 2.411 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434457 164309578 /nfs/dbraw/zinc/30/95/78/164309578.db2.gz XVQNFXQASPTXPF-KGLIPLIRSA-N 2 0 325.478 2.051 10 0 EEAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000364476078 165151883 /nfs/dbraw/zinc/15/18/83/165151883.db2.gz HPAVUVNBDIZOQE-LJQANCHMSA-N 2 0 337.552 2.277 10 0 EEAERP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]2CCC1CC2 ZINC000375500563 167148870 /nfs/dbraw/zinc/14/88/70/167148870.db2.gz YIUAQNSFHWUYKL-UHFFFAOYSA-N 2 0 327.472 2.205 10 0 EEAERP C[C@H]([NH2+]C1CCN(C(N)=O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272693326 269009398 /nfs/dbraw/zinc/00/93/98/269009398.db2.gz XJLKOSVDUHGXPS-RDJZCZTQSA-N 2 0 330.476 2.030 10 0 EEAERP C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000272688830 269009750 /nfs/dbraw/zinc/00/97/50/269009750.db2.gz BYOZGJHRYANZDV-VQIMIIECSA-N 2 0 344.503 2.109 10 0 EEAERP CC[NH+](CC)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190570761 274044985 /nfs/dbraw/zinc/04/49/85/274044985.db2.gz KPAYCVJGXOWMMU-HNNXBMFYSA-N 2 0 338.521 2.074 10 0 EEAERP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000278447541 274355674 /nfs/dbraw/zinc/35/56/74/274355674.db2.gz LCONADGQFFGTRQ-OXHPOLQJSA-N 2 0 332.488 2.417 10 0 EEAERP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc(C)c1O ZINC000289176362 275102521 /nfs/dbraw/zinc/10/25/21/275102521.db2.gz AAZHXNKVTXCQEK-UHFFFAOYSA-N 2 0 331.504 2.468 10 0 EEAERP NC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289772857 275147395 /nfs/dbraw/zinc/14/73/95/275147395.db2.gz JXPNFXWGQMKIPI-GOSISDBHSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000261679089 277539770 /nfs/dbraw/zinc/53/97/70/277539770.db2.gz HIBHRAKSWLVYJM-APWZRJJASA-N 2 0 325.456 2.353 10 0 EEAERP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]2CCC[C@H]21 ZINC000353611735 290214575 /nfs/dbraw/zinc/21/45/75/290214575.db2.gz FCDURWPQDJIASI-IVDHNXQLSA-N 2 0 335.536 2.217 10 0 EEAERP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccccc1 ZINC000262140046 303412777 /nfs/dbraw/zinc/41/27/77/303412777.db2.gz DUYOWUMBGNQSNG-PJVZLEMVSA-N 2 0 327.472 2.108 10 0 EEAERP [NH3+][C@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000333166683 312104687 /nfs/dbraw/zinc/10/46/87/312104687.db2.gz HMAIDQZVDUXLTG-QBUWPKIASA-N 2 0 342.487 2.315 10 0 EEAERP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)c1 ZINC000414714851 313068315 /nfs/dbraw/zinc/06/83/15/313068315.db2.gz QKPWASVXKNFZCV-QZTJIDSGSA-N 2 0 329.488 2.290 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000414732130 313071663 /nfs/dbraw/zinc/07/16/63/313071663.db2.gz FZYICRMLIFIZDO-IJLUTSLNSA-N 2 0 325.482 2.232 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000416835154 313328625 /nfs/dbraw/zinc/32/86/25/313328625.db2.gz SYDHPXFNPSXDQP-UHFFFAOYSA-N 2 0 332.492 2.072 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416848805 313335025 /nfs/dbraw/zinc/33/50/25/313335025.db2.gz WWZCZGUUBUFQPD-ROUUACIJSA-N 2 0 344.434 2.428 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)CC(C)C ZINC000416943699 313368510 /nfs/dbraw/zinc/36/85/10/313368510.db2.gz CPHYWWKKMDSRKX-KGLIPLIRSA-N 2 0 334.455 2.039 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000417001639 313389075 /nfs/dbraw/zinc/38/90/75/313389075.db2.gz FBABTTSXOXYZMQ-NZSAHSFTSA-N 2 0 346.519 2.237 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417007814 313392093 /nfs/dbraw/zinc/39/20/93/313392093.db2.gz IAVZIYGPSUFTNU-HZPDHXFCSA-N 2 0 332.473 2.350 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417528772 313533691 /nfs/dbraw/zinc/53/36/91/313533691.db2.gz FPBQEHMDNHFWNB-QZTJIDSGSA-N 2 0 346.519 2.462 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000515220928 316472196 /nfs/dbraw/zinc/47/21/96/316472196.db2.gz IQFNHYKUMUXXKI-VQIMIIECSA-N 2 0 344.503 2.470 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000564310245 319077271 /nfs/dbraw/zinc/07/72/71/319077271.db2.gz VTHZGBBNCUOJNN-NVXWUHKLSA-N 2 0 332.492 2.194 10 0 EEAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000564823204 319114371 /nfs/dbraw/zinc/11/43/71/319114371.db2.gz DIEMHOFXELWEGT-YSIASYRMSA-N 2 0 331.504 2.255 10 0 EEAERP CO[C@H]1C[C@H]2C[C@H](Nc3c[nH+]ccc3N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000566850154 319326121 /nfs/dbraw/zinc/32/61/21/319326121.db2.gz PLUYFFGJHKNZNJ-GANOOXTDSA-N 2 0 330.476 2.449 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000579828414 323938312 /nfs/dbraw/zinc/93/83/12/323938312.db2.gz WNUJDTJYRHOBDO-NJYVYQBISA-N 2 0 345.531 2.158 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000582903633 324554222 /nfs/dbraw/zinc/55/42/22/324554222.db2.gz BTAMMZAXYXLSMR-UHFFFAOYSA-N 2 0 325.456 2.392 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000193203067 465028003 /nfs/dbraw/zinc/02/80/03/465028003.db2.gz UCSCVXBGCCYPRH-GOSISDBHSA-N 2 0 332.492 2.465 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cn1 ZINC000339234214 465156051 /nfs/dbraw/zinc/15/60/51/465156051.db2.gz OLYZYKCZVDYXMS-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000358671320 465255409 /nfs/dbraw/zinc/25/54/09/465255409.db2.gz UHCHZNRYONWULE-SFHVURJKSA-N 2 0 348.466 2.380 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074087937 462552971 /nfs/dbraw/zinc/55/29/71/462552971.db2.gz HLKKTBVHAQQEOE-MQVJKMGUSA-N 2 0 327.538 2.193 10 0 EEAERP O=C(NCCNc1cc[nH+]cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000535265693 468305472 /nfs/dbraw/zinc/30/54/72/468305472.db2.gz UCSSOKOTZHDRLX-UHFFFAOYSA-N 2 0 345.491 2.012 10 0 EEAERP [NH2+]=C(NO)c1ccc(-c2cnc(-c3ccc(C(=[NH2+])NO)cc3)nc2)cc1 ZINC000113741289 462611016 /nfs/dbraw/zinc/61/10/16/462611016.db2.gz AAIZAISBBQZXMB-UHFFFAOYSA-N 2 0 348.366 2.419 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)C[NH+]1CCCCC1 ZINC000063781721 462672228 /nfs/dbraw/zinc/67/22/28/462672228.db2.gz NYIOVUQMERBIHB-QGZVFWFLSA-N 2 0 347.503 2.479 10 0 EEAERP C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000090515626 462795342 /nfs/dbraw/zinc/79/53/42/462795342.db2.gz IFGCTOIBUZCGDL-AYSMAOOMSA-N 2 0 326.506 2.435 10 0 EEAERP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@@H]3CCOC3=O)CC2)C[C@H](C)O1 ZINC000120841521 463045648 /nfs/dbraw/zinc/04/56/48/463045648.db2.gz JYAGHJZFONZOIT-SOLBZPMBSA-N 2 0 338.492 2.151 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000072826321 463550526 /nfs/dbraw/zinc/55/05/26/463550526.db2.gz GLVMEZPCIJPEEP-UHFFFAOYSA-N 2 0 344.503 2.407 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000072955934 463566381 /nfs/dbraw/zinc/56/63/81/463566381.db2.gz FXNDJLYFKXACSS-UHFFFAOYSA-N 2 0 330.476 2.209 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000073125554 463587161 /nfs/dbraw/zinc/58/71/61/463587161.db2.gz FYFYRGFXJKBIEN-KRWDZBQOSA-N 2 0 344.503 2.455 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000084343991 463596017 /nfs/dbraw/zinc/59/60/17/463596017.db2.gz NEMLKLXUXXWXCP-UHFFFAOYSA-N 2 0 345.256 2.382 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000073244807 463596214 /nfs/dbraw/zinc/59/62/14/463596214.db2.gz KSGCOPVYGFIHLE-UHFFFAOYSA-N 2 0 330.476 2.064 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000073722682 463648739 /nfs/dbraw/zinc/64/87/39/463648739.db2.gz AGWCJIUJNPDWRW-SJORKVTESA-N 2 0 326.529 2.336 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073793554 463656983 /nfs/dbraw/zinc/65/69/83/463656983.db2.gz NOVOUQZLNADGNJ-RBUKOAKNSA-N 2 0 346.519 2.285 10 0 EEAERP Cc1ncc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)n1C ZINC000579496095 468369435 /nfs/dbraw/zinc/36/94/35/468369435.db2.gz XASAABSUZACJCD-HNNXBMFYSA-N 2 0 338.249 2.488 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1cccc1 ZINC000522649789 468373762 /nfs/dbraw/zinc/37/37/62/468373762.db2.gz AHQYSZBHETWPCP-QZTJIDSGSA-N 2 0 334.508 2.314 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000194169907 463807575 /nfs/dbraw/zinc/80/75/75/463807575.db2.gz ANYSYDUWEWMCMM-MRXNPFEDSA-N 2 0 336.480 2.146 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194348360 463842349 /nfs/dbraw/zinc/84/23/49/463842349.db2.gz HIZNTPOPMYUDIG-SFHVURJKSA-N 2 0 329.488 2.150 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261784490 463858407 /nfs/dbraw/zinc/85/84/07/463858407.db2.gz LINCZKCRFNEJJW-ZIAGYGMSSA-N 2 0 337.430 2.484 10 0 EEAERP [NH3+]C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261819459 463869381 /nfs/dbraw/zinc/86/93/81/463869381.db2.gz SDRWPACUQODJJL-NEWSRXKRSA-N 2 0 341.430 2.069 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(C)C)CC2)[C@H](C)C1 ZINC000178690652 463944078 /nfs/dbraw/zinc/94/40/78/463944078.db2.gz IKTXUYWCVRXLJH-AEFFLSMTSA-N 2 0 338.540 2.479 10 0 EEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(F)cc1 ZINC000178750158 463962687 /nfs/dbraw/zinc/96/26/87/463962687.db2.gz STIKBICGSDETCT-KRWDZBQOSA-N 2 0 330.407 2.111 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271151 463966286 /nfs/dbraw/zinc/96/62/86/463966286.db2.gz BIJGGXVLPACJTF-MOPGFXCFSA-N 2 0 344.503 2.243 10 0 EEAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119228 465435913 /nfs/dbraw/zinc/43/59/13/465435913.db2.gz ZZQRLKDIIMTCNC-CRAIPNDOSA-N 2 0 329.448 2.029 10 0 EEAERP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CCOCC1 ZINC000187789197 464162617 /nfs/dbraw/zinc/16/26/17/464162617.db2.gz CEFYFVNNRNFGAE-LJQANCHMSA-N 2 0 336.476 2.158 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)C3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000237553847 464339273 /nfs/dbraw/zinc/33/92/73/464339273.db2.gz BJVBIDWSKHDNGH-OALUTQOASA-N 2 0 343.471 2.089 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000181050590 464439261 /nfs/dbraw/zinc/43/92/61/464439261.db2.gz ZIBZRUOGZMRLHM-IEBWSBKVSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C1CC1 ZINC000245683030 464507355 /nfs/dbraw/zinc/50/73/55/464507355.db2.gz VSUSJOKTINCQAI-JLSDUUJJSA-N 2 0 330.476 2.214 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000281589546 464514688 /nfs/dbraw/zinc/51/46/88/464514688.db2.gz XERDCVKSRQFRLS-OLZOCXBDSA-N 2 0 333.407 2.274 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175603788 464584701 /nfs/dbraw/zinc/58/47/01/464584701.db2.gz CEVQHLZOHGAIMY-HNNXBMFYSA-N 2 0 338.471 2.287 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246565077 464601250 /nfs/dbraw/zinc/60/12/50/464601250.db2.gz ZEQGMXBZAYFTNN-MHORFTMASA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000247166452 464654441 /nfs/dbraw/zinc/65/44/41/464654441.db2.gz KOLQRVMRYXPXBN-FLXSYLCISA-N 2 0 336.524 2.231 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000183374141 464857245 /nfs/dbraw/zinc/85/72/45/464857245.db2.gz QENZRUXGODYYNC-KSZLIROESA-N 2 0 336.524 2.233 10 0 EEAERP COc1cccc([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)[NH+](C)C)c1 ZINC000183479252 464868801 /nfs/dbraw/zinc/86/88/01/464868801.db2.gz VPLRRPQKSJWWJQ-SFHVURJKSA-N 2 0 342.443 2.189 10 0 EEAERP CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347954603 465332052 /nfs/dbraw/zinc/33/20/52/465332052.db2.gz SHLOVEKXCZPJET-LJQANCHMSA-N 2 0 327.472 2.449 10 0 EEAERP CCn1ccnc1CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000298415938 465389274 /nfs/dbraw/zinc/38/92/74/465389274.db2.gz KWOVYFHFPCBHMN-WBVHZDCISA-N 2 0 341.459 2.365 10 0 EEAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCNC1=O ZINC000359526242 465433509 /nfs/dbraw/zinc/43/35/09/465433509.db2.gz PUEQEQAOXSRDLK-GOSISDBHSA-N 2 0 327.428 2.280 10 0 EEAERP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(OC)c1 ZINC000361175215 465815491 /nfs/dbraw/zinc/81/54/91/465815491.db2.gz MPNQHWCMLQBPEZ-AEFFLSMTSA-N 2 0 333.476 2.323 10 0 EEAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000338475957 466156947 /nfs/dbraw/zinc/15/69/47/466156947.db2.gz ZNUWXJPLPSZWCS-SFHVURJKSA-N 2 0 345.487 2.308 10 0 EEAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000349989087 466342003 /nfs/dbraw/zinc/34/20/03/466342003.db2.gz AZKUCUHZJKPSGA-VQIMIIECSA-N 2 0 344.503 2.385 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@H]2CCC[C@H]21 ZINC000367613044 466448323 /nfs/dbraw/zinc/44/83/23/466448323.db2.gz FBIDIOZRUHUSRK-IXDOHACOSA-N 2 0 331.508 2.400 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000361980050 466456466 /nfs/dbraw/zinc/45/64/66/466456466.db2.gz GGQCLOCNFCVYGH-RLLQIKCJSA-N 2 0 332.488 2.276 10 0 EEAERP CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000310550653 466516681 /nfs/dbraw/zinc/51/66/81/466516681.db2.gz UJIAOTXRJDBJKZ-MJGOQNOKSA-N 2 0 329.488 2.484 10 0 EEAERP CN(Cc1ccco1)C(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000362104185 466559297 /nfs/dbraw/zinc/55/92/97/466559297.db2.gz BWXLRMHSGRBLHG-MRXNPFEDSA-N 2 0 345.487 2.434 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428087 466632553 /nfs/dbraw/zinc/63/25/53/466632553.db2.gz CAGYMJHTCUYDON-BVYOLEPJSA-N 2 0 345.487 2.287 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000422893792 466687217 /nfs/dbraw/zinc/68/72/17/466687217.db2.gz ASGRBMADGVYCIR-ZTRFORPCSA-N 2 0 327.472 2.459 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000373254263 466744495 /nfs/dbraw/zinc/74/44/95/466744495.db2.gz DUMLSTYXRNBSCY-UHFFFAOYSA-N 2 0 339.549 2.196 10 0 EEAERP CC1=CCCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000369707617 466746194 /nfs/dbraw/zinc/74/61/94/466746194.db2.gz VAWJTKFKZWYAHL-UHFFFAOYSA-N 2 0 334.508 2.298 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417542187 466879699 /nfs/dbraw/zinc/87/96/99/466879699.db2.gz ZODOERCFVULIAI-SOLBZPMBSA-N 2 0 336.524 2.423 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000365897160 466981587 /nfs/dbraw/zinc/98/15/87/466981587.db2.gz VORBTFDIPMCLHL-MPGHIAIKSA-N 2 0 327.488 2.388 10 0 EEAERP CN(C(=O)NC1CC([NH+]2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376965912 466981947 /nfs/dbraw/zinc/98/19/47/466981947.db2.gz XGAHVXUWWNLLJC-FUDRRUEFSA-N 2 0 334.508 2.270 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418171764 467064555 /nfs/dbraw/zinc/06/45/55/467064555.db2.gz VOKKTKJZQFULBY-FRQCXROJSA-N 2 0 348.491 2.494 10 0 EEAERP CCN(C(=O)NC[C@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418462762 467114748 /nfs/dbraw/zinc/11/47/48/467114748.db2.gz BUDKBLIUUIXYSY-JFIYKMOQSA-N 2 0 332.492 2.448 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000418587323 467132322 /nfs/dbraw/zinc/13/23/22/467132322.db2.gz GMWVIGLBLJGTEP-WBVHZDCISA-N 2 0 332.492 2.194 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418624386 467137165 /nfs/dbraw/zinc/13/71/65/467137165.db2.gz YVNICZLPAACWPI-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000418709845 467149100 /nfs/dbraw/zinc/14/91/00/467149100.db2.gz VEQHOMINZBPFMJ-QWHCGFSZSA-N 2 0 326.872 2.149 10 0 EEAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377897617 467161590 /nfs/dbraw/zinc/16/15/90/467161590.db2.gz BGDNKPUAOXUZMF-QAPCUYQASA-N 2 0 327.488 2.389 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000382745629 467378561 /nfs/dbraw/zinc/37/85/61/467378561.db2.gz SPACZOUSBQRTOA-OTWHNJEPSA-N 2 0 329.488 2.342 10 0 EEAERP CC(C)[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000414202128 467390368 /nfs/dbraw/zinc/39/03/68/467390368.db2.gz UDHDUYQCLNYNRY-IBGZPJMESA-N 2 0 346.519 2.165 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000397595069 467443564 /nfs/dbraw/zinc/44/35/64/467443564.db2.gz LJBGISCUUJKXMD-MRXNPFEDSA-N 2 0 328.460 2.098 10 0 EEAERP C[C@@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@@]1(C)C[NH3+] ZINC000415053804 467477505 /nfs/dbraw/zinc/47/75/05/467477505.db2.gz KQYLRRGMRBTMPY-BDJLRTHQSA-N 2 0 337.830 2.477 10 0 EEAERP c1cn(-c2ccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cc2)cn1 ZINC000415062152 467478286 /nfs/dbraw/zinc/47/82/86/467478286.db2.gz ZVTCDGTVAKLCPQ-UHFFFAOYSA-N 2 0 339.487 2.178 10 0 EEAERP CCO[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405434941 467481865 /nfs/dbraw/zinc/48/18/65/467481865.db2.gz JCNVCAOSTVEPRB-IUODEOHRSA-N 2 0 343.265 2.124 10 0 EEAERP Cn1ccnc1-c1cccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000415143250 467499842 /nfs/dbraw/zinc/49/98/42/467499842.db2.gz SKHQQYXODYRUPN-ZDUSSCGKSA-N 2 0 335.358 2.206 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000458346534 467812734 /nfs/dbraw/zinc/81/27/34/467812734.db2.gz SOVGMEBBEHBFOE-ZACQAIPSSA-N 2 0 336.524 2.375 10 0 EEAERP [NH3+]CCCCC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000515350520 467986748 /nfs/dbraw/zinc/98/67/48/467986748.db2.gz QAIPYWXPFVBAEC-CYBMUJFWSA-N 2 0 325.403 2.174 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H]1c1ccccc1 ZINC000516857040 468050386 /nfs/dbraw/zinc/05/03/86/468050386.db2.gz LYCOMJBOSJHTOY-KSZLIROESA-N 2 0 330.476 2.249 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000488906864 468110973 /nfs/dbraw/zinc/11/09/73/468110973.db2.gz GMYHZCOVCVPUHQ-GOSISDBHSA-N 2 0 344.434 2.315 10 0 EEAERP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000600706476 468626735 /nfs/dbraw/zinc/62/67/35/468626735.db2.gz FCCQVOKMIITOMB-DLBZAZTESA-N 2 0 332.444 2.266 10 0 EEAERP CN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC([NH3+])C1 ZINC000584400296 468862832 /nfs/dbraw/zinc/86/28/32/468862832.db2.gz UWUODMLPQIBKEL-TVPLGVNVSA-N 2 0 330.476 2.172 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000572118375 468888128 /nfs/dbraw/zinc/88/81/28/468888128.db2.gz ARWRYVPMKYPGBU-LIRRHRJNSA-N 2 0 338.455 2.474 10 0 EEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cnccc1N ZINC000584523855 468891758 /nfs/dbraw/zinc/89/17/58/468891758.db2.gz BXGYGONFRYMBQV-INIZCTEOSA-N 2 0 331.508 2.095 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000584709419 468918020 /nfs/dbraw/zinc/91/80/20/468918020.db2.gz FPMYEPGBFVAGFZ-AHCXZYCDSA-N 2 0 330.476 2.119 10 0 EEAERP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562806015 469077970 /nfs/dbraw/zinc/07/79/70/469077970.db2.gz GSBILGABSJBSIA-RWQQGDIJSA-N 2 0 344.503 2.194 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCc2nc[nH]c2C1 ZINC000611841752 469332946 /nfs/dbraw/zinc/33/29/46/469332946.db2.gz HQXUPOGTKMGSKK-AWEZNQCLSA-N 2 0 330.476 2.428 10 0 EEAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCOCCC[NH3+] ZINC000629399533 469531712 /nfs/dbraw/zinc/53/17/12/469531712.db2.gz UADLVSPVMQZNQH-LLVKDONJSA-N 2 0 333.245 2.474 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000629402701 469531902 /nfs/dbraw/zinc/53/19/02/469531902.db2.gz DCMMPGOBTDQCML-NSHDSACASA-N 2 0 333.245 2.345 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CC(C)C ZINC000626929739 469759293 /nfs/dbraw/zinc/75/92/93/469759293.db2.gz QWBMXTOAVFDMND-QRQLOZEOSA-N 2 0 338.540 2.384 10 0 EEAERP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623866895 469783064 /nfs/dbraw/zinc/78/30/64/469783064.db2.gz JMIZSEYEGGZFLK-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[NH2+]1 ZINC000627083516 469808752 /nfs/dbraw/zinc/80/87/52/469808752.db2.gz UMONGGVHOYZFQI-FSPWUOQZSA-N 2 0 326.444 2.279 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627164830 469830982 /nfs/dbraw/zinc/83/09/82/469830982.db2.gz IBVIEXVCUKNKNI-OKZBNKHCSA-N 2 0 330.476 2.043 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000617918747 469836960 /nfs/dbraw/zinc/83/69/60/469836960.db2.gz LJLWBALZKNXTDB-INIZCTEOSA-N 2 0 345.491 2.044 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627240004 469853250 /nfs/dbraw/zinc/85/32/50/469853250.db2.gz JMAJUVIBGOIVOZ-CGTJXYLNSA-N 2 0 330.476 2.043 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000620825516 469929965 /nfs/dbraw/zinc/92/99/65/469929965.db2.gz LQARLLNZXDTHCK-RBUKOAKNSA-N 2 0 344.503 2.292 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000630928437 470029954 /nfs/dbraw/zinc/02/99/54/470029954.db2.gz KZIAHGXUZRQVRE-RBUKOAKNSA-N 2 0 347.503 2.016 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000621665298 470088339 /nfs/dbraw/zinc/08/83/39/470088339.db2.gz XDNOITZOPHKEJO-FHLIZLRMSA-N 2 0 333.451 2.249 10 0 EEAERP COCCN1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631196826 470090609 /nfs/dbraw/zinc/09/06/09/470090609.db2.gz VOIPLQDOEVBHTH-RLLQIKCJSA-N 2 0 331.504 2.065 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000625286490 470112332 /nfs/dbraw/zinc/11/23/32/470112332.db2.gz HIOBHDGTQFCAIW-CGTJXYLNSA-N 2 0 349.906 2.178 10 0 EEAERP C[C@@](O)(C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000634644168 470274055 /nfs/dbraw/zinc/27/40/55/470274055.db2.gz PMUROLDUTWAMSV-LEWJYISDSA-N 2 0 346.515 2.400 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649102252 470463767 /nfs/dbraw/zinc/46/37/67/470463767.db2.gz ZMEVXMWTUNGQEQ-DKKFBQAASA-N 2 0 329.488 2.321 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000645995655 470487006 /nfs/dbraw/zinc/48/70/06/470487006.db2.gz BYCBVBOVNFJUQF-JLAWEPINSA-N 2 0 345.487 2.054 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000641870183 470505644 /nfs/dbraw/zinc/50/56/44/470505644.db2.gz QTGFKIWYYBMTIH-WFRZBGSESA-N 2 0 342.487 2.197 10 0 EEAERP COCCC1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649332335 470548330 /nfs/dbraw/zinc/54/83/30/470548330.db2.gz UCFZKMDEDDCXQW-QGZVFWFLSA-N 2 0 347.503 2.029 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646204936 470564917 /nfs/dbraw/zinc/56/49/17/470564917.db2.gz QLHHMDDCJWVAGC-IBGZPJMESA-N 2 0 336.439 2.058 10 0 EEAERP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CC2 ZINC000639643006 470591919 /nfs/dbraw/zinc/59/19/19/470591919.db2.gz YEWNEWJWQKVROH-ICSRJNTNSA-N 2 0 337.471 2.363 10 0 EEAERP CCCN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000646291532 470592708 /nfs/dbraw/zinc/59/27/08/470592708.db2.gz PLVOFCVVIQPFII-INIZCTEOSA-N 2 0 328.420 2.215 10 0 EEAERP CN1CCC[C@@H]1C[N@@H+]1CCCC2(CCCN(C[C@H]3CCC[NH+]3C)C2)C1 ZINC000649613262 470643327 /nfs/dbraw/zinc/64/33/27/470643327.db2.gz FRKVEDDNIBPWRX-OSBQEZSISA-N 2 0 348.579 2.353 10 0 EEAERP CN(CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1cc[nH+]cc1 ZINC000633945109 470646971 /nfs/dbraw/zinc/64/69/71/470646971.db2.gz ZIDFGJFNUYSKSU-UHFFFAOYSA-N 2 0 330.476 2.385 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647288146 470877371 /nfs/dbraw/zinc/87/73/71/470877371.db2.gz OIQITGQNHFIXNI-INIZCTEOSA-N 2 0 333.524 2.144 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000650809901 470972388 /nfs/dbraw/zinc/97/23/88/470972388.db2.gz YTKMBHDLHJDDML-UHFFFAOYSA-N 2 0 326.529 2.386 10 0 EEAERP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2O1 ZINC000647801424 470988750 /nfs/dbraw/zinc/98/87/50/470988750.db2.gz VBNCSSFYLYXHGR-MGPQQGTHSA-N 2 0 340.370 2.255 10 0 EEAERP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654660728 471119060 /nfs/dbraw/zinc/11/90/60/471119060.db2.gz DUKMZGZGSYGEFT-QRVBRYPASA-N 2 0 344.503 2.243 10 0 EEAERP CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657594676 471178004 /nfs/dbraw/zinc/17/80/04/471178004.db2.gz KGYPZELESWOPCS-LJQANCHMSA-N 2 0 328.460 2.150 10 0 EEAERP CCc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)[NH+](C)C)cc1 ZINC000652119604 471238946 /nfs/dbraw/zinc/23/89/46/471238946.db2.gz NPKPZVSVVBSFQL-KRWDZBQOSA-N 2 0 332.492 2.280 10 0 EEAERP Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)n2n1 ZINC000658109329 471266828 /nfs/dbraw/zinc/26/68/28/471266828.db2.gz WBYDRPODIOKXGZ-JKSUJKDBSA-N 2 0 346.523 2.269 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC000663503484 471402796 /nfs/dbraw/zinc/40/27/96/471402796.db2.gz JJIMRIIQLMCCED-UHFFFAOYSA-N 2 0 329.897 2.482 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000663504624 471404125 /nfs/dbraw/zinc/40/41/25/471404125.db2.gz ZEGSRGAWMGJRNM-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000666511124 471429152 /nfs/dbraw/zinc/42/91/52/471429152.db2.gz AZEYZWXMDXDFEG-SQNIBIBYSA-N 2 0 338.540 2.338 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659033208 471476245 /nfs/dbraw/zinc/47/62/45/471476245.db2.gz IOTFCEZPXUQFGE-WMLDXEAASA-N 2 0 334.464 2.199 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413826 471484670 /nfs/dbraw/zinc/48/46/70/471484670.db2.gz BPYMKBOYHWJYIR-LPHOPBHVSA-N 2 0 344.503 2.196 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000663765569 471507777 /nfs/dbraw/zinc/50/77/77/471507777.db2.gz YTBYQTCKNLXCLB-ROUUACIJSA-N 2 0 346.519 2.331 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911531 471532964 /nfs/dbraw/zinc/53/29/64/471532964.db2.gz FKPTVGMMBJWODY-ZIAGYGMSSA-N 2 0 344.381 2.012 10 0 EEAERP [NH3+]C[C@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911528 471533499 /nfs/dbraw/zinc/53/34/99/471533499.db2.gz FKPTVGMMBJWODY-KBPBESRZSA-N 2 0 344.381 2.012 10 0 EEAERP CCN(C(=O)NCc1cccc(C[NH+](C)CC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000663868487 471556383 /nfs/dbraw/zinc/55/63/83/471556383.db2.gz RQGTXVMSNZHRCS-GOSISDBHSA-N 2 0 332.492 2.374 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[NH2+][C@@H]2CC)cc1 ZINC000659353557 471589751 /nfs/dbraw/zinc/58/97/51/471589751.db2.gz QFCPKFHGVRDUOX-MANSERQUSA-N 2 0 345.487 2.035 10 0 EEAERP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380957 471598426 /nfs/dbraw/zinc/59/84/26/471598426.db2.gz HXDQQHVHXRGLJG-QZTJIDSGSA-N 2 0 341.499 2.403 10 0 EEAERP CC(C)(C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381950 471599450 /nfs/dbraw/zinc/59/94/50/471599450.db2.gz NPCSNYSYVQLOMQ-KRWDZBQOSA-N 2 0 329.488 2.390 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[C@H]1F ZINC000659424389 471620303 /nfs/dbraw/zinc/62/03/03/471620303.db2.gz DEMIBONRQCCSFV-HZPDHXFCSA-N 2 0 340.487 2.256 10 0 EEAERP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C(C)(C)C[NH+](C)C ZINC000659466659 471640895 /nfs/dbraw/zinc/64/08/95/471640895.db2.gz HUUKHHSPKQFPBV-KBAYOESNSA-N 2 0 346.519 2.408 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659558735 471677031 /nfs/dbraw/zinc/67/70/31/471677031.db2.gz DELUVUODMUWHFU-GOSISDBHSA-N 2 0 338.540 2.386 10 0 EEAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2COCCO2)cc1 ZINC000656407883 471711514 /nfs/dbraw/zinc/71/15/14/471711514.db2.gz UOLASNCYCDXDPJ-WHZJULEDSA-N 2 0 342.483 2.244 10 0 EEAERP CCN(C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664591526 471805255 /nfs/dbraw/zinc/80/52/55/471805255.db2.gz PJFTWOBYCKGVOC-AEFFLSMTSA-N 2 0 332.492 2.243 10 0 EEAERP COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782244 471839372 /nfs/dbraw/zinc/83/93/72/471839372.db2.gz CZPFZYSWTRBNPU-LJQANCHMSA-N 2 0 346.519 2.376 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000665289667 471990723 /nfs/dbraw/zinc/99/07/23/471990723.db2.gz UJZJQZOCIJIPMG-UHFFFAOYSA-N 2 0 331.451 2.391 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665364934 472020978 /nfs/dbraw/zinc/02/09/78/472020978.db2.gz ZUFFFVIIJBEHPR-OAHLLOKOSA-N 2 0 336.480 2.226 10 0 EEAERP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249373 472041875 /nfs/dbraw/zinc/04/18/75/472041875.db2.gz ULWRTAYNZBGQDX-HZPDHXFCSA-N 2 0 332.444 2.362 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1)N1CCCC1 ZINC000662256657 472044152 /nfs/dbraw/zinc/04/41/52/472044152.db2.gz XRDOVWMRHQGMQP-GOSISDBHSA-N 2 0 327.472 2.167 10 0 EEAERP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298666 472060969 /nfs/dbraw/zinc/06/09/69/472060969.db2.gz WQEJXJOSCHKXGH-WBVHZDCISA-N 2 0 340.475 2.435 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCc2nc[nH]c2C1 ZINC000665507215 472071305 /nfs/dbraw/zinc/07/13/05/472071305.db2.gz QPYZWXJTNUYIEJ-KRWDZBQOSA-N 2 0 338.455 2.427 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)[NH+](C)C)cc1 ZINC000662664261 472194425 /nfs/dbraw/zinc/19/44/25/472194425.db2.gz VYSGKSGPGUHIBE-OAHLLOKOSA-N 2 0 344.459 2.464 10 0 EEAERP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000662748146 472233704 /nfs/dbraw/zinc/23/37/04/472233704.db2.gz MPUSVDBGWNYJGY-KFKAGJAMSA-N 2 0 347.478 2.227 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000176967965 485503480 /nfs/dbraw/zinc/50/34/80/485503480.db2.gz MEZPAURLDNZGIV-SJLPKXTDSA-N 2 0 327.472 2.003 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143672 485571462 /nfs/dbraw/zinc/57/14/62/485571462.db2.gz ZTBKZMRTPUJMPV-RTBURBONSA-N 2 0 328.460 2.228 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)CC1 ZINC000682733316 486547309 /nfs/dbraw/zinc/54/73/09/486547309.db2.gz WJHKTERACFTRAY-PIKOESSRSA-N 2 0 335.536 2.340 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccco1 ZINC000174388997 528239051 /nfs/dbraw/zinc/23/90/51/528239051.db2.gz MCWOVHXUTBAOLG-IRXDYDNUSA-N 2 0 346.475 2.318 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931411 536850730 /nfs/dbraw/zinc/85/07/30/536850730.db2.gz BPPKLGIXHANICN-LBPRGKRZSA-N 2 0 333.245 2.474 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000761099185 577676613 /nfs/dbraw/zinc/67/66/13/577676613.db2.gz VUIQITIOBYNYOS-QFBILLFUSA-N 2 0 327.472 2.170 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000756099679 577838393 /nfs/dbraw/zinc/83/83/93/577838393.db2.gz QWCIIAMESRNBFF-UHFFFAOYSA-N 2 0 341.440 2.320 10 0 EEAERP CCN1CCO[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390883431 578268370 /nfs/dbraw/zinc/26/83/70/578268370.db2.gz YSPGJGDAAUVEKR-OTYNDTSQSA-N 2 0 343.515 2.492 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)CN1CC[NH+](C)CC1 ZINC000924950440 681869659 /nfs/dbraw/zinc/86/96/59/681869659.db2.gz PJQDJAZXLLRRNH-HBFSDRIKSA-N 2 0 330.520 2.266 10 0 EEAERP CC[N@@H+]1CC[C@H](c2nnc3n2CC[NH+](Cc2ccccc2)CC3)C1 ZINC000257189204 684152230 /nfs/dbraw/zinc/15/22/30/684152230.db2.gz HRDHWASEKVFJFR-KRWDZBQOSA-N 2 0 325.460 2.146 10 0 EEAERP C[C@@H](CCC[NH2+]C[C@H]1CCCOC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001485740183 1191917266 /nfs/dbraw/zinc/91/72/66/1191917266.db2.gz IUBROHPJAQZIKU-FUHWJXTLSA-N 2 0 339.524 2.019 10 0 EEAERP CCCCC[N@H+](C)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001485764368 1191938317 /nfs/dbraw/zinc/93/83/17/1191938317.db2.gz PCHMPWMOQPSAMX-UHFFFAOYSA-N 2 0 349.523 2.171 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001671293933 1176442731 /nfs/dbraw/zinc/44/27/31/1176442731.db2.gz OEYZJEGRNJCWSG-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)CC1=CCCCC1 ZINC001691046162 1177065696 /nfs/dbraw/zinc/06/56/96/1177065696.db2.gz JMAVOCWGXQODIU-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc2cccnc21)[NH+](C)C ZINC001266733692 1177322280 /nfs/dbraw/zinc/32/22/80/1177322280.db2.gz YXUHFMJUNVTRCS-IBGZPJMESA-N 2 0 342.487 2.369 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001266804374 1177457166 /nfs/dbraw/zinc/45/71/66/1177457166.db2.gz GZKAGVCRYZARMJ-LJQANCHMSA-N 2 0 343.515 2.399 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)CCC[NH+](C)C ZINC001266820764 1177487309 /nfs/dbraw/zinc/48/73/09/1177487309.db2.gz ZNXPYXYBNLXFIQ-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP Cn1ccnc1CCC(=O)NCC[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001480894072 1177638531 /nfs/dbraw/zinc/63/85/31/1177638531.db2.gz LDLLTVBPKVQGFA-CQSZACIVSA-N 2 0 342.434 2.226 10 0 EEAERP Cc1nc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sc1C ZINC001691352004 1177950845 /nfs/dbraw/zinc/95/08/45/1177950845.db2.gz LABICFYQZXPSCC-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072082 1178190515 /nfs/dbraw/zinc/19/05/15/1178190515.db2.gz QQDNLFGUBJEZIZ-ZDUSSCGKSA-N 2 0 344.286 2.493 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001267092273 1178223061 /nfs/dbraw/zinc/22/30/61/1178223061.db2.gz ZICHUMNKPUPFOT-QZTJIDSGSA-N 2 0 339.499 2.485 10 0 EEAERP CC1CC(C[NH2+]CCc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)C1 ZINC001267098027 1178235089 /nfs/dbraw/zinc/23/50/89/1178235089.db2.gz CKKZETNVFHVYLY-RRWXTXHCSA-N 2 0 343.515 2.433 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267163214 1178364555 /nfs/dbraw/zinc/36/45/55/1178364555.db2.gz OGCQWEWIAHFTJR-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccc(F)cn2)C1 ZINC001267181763 1178442964 /nfs/dbraw/zinc/44/29/64/1178442964.db2.gz NGFOOSMPYFAUTG-MAUKXSAKSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)N(C)C(=O)CC[NH+](C)C ZINC001496149457 1178577218 /nfs/dbraw/zinc/57/72/18/1178577218.db2.gz LVWDNCPXKDYJEQ-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935012 1178845628 /nfs/dbraw/zinc/84/56/28/1178845628.db2.gz JOHBTEKIZLUGCM-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267390755 1178956445 /nfs/dbraw/zinc/95/64/45/1178956445.db2.gz UOIWVQVOMZTCAU-MJGOQNOKSA-N 2 0 345.487 2.130 10 0 EEAERP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415813 1178988457 /nfs/dbraw/zinc/98/84/57/1178988457.db2.gz VQELOILXFVSXES-IBGZPJMESA-N 2 0 329.488 2.208 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456170 1179039057 /nfs/dbraw/zinc/03/90/57/1179039057.db2.gz NQKKNZQKHDMTQA-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cncc(F)c1 ZINC001267499420 1179186291 /nfs/dbraw/zinc/18/62/91/1179186291.db2.gz VMTURRFUQSLIJG-KRWDZBQOSA-N 2 0 336.455 2.032 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001279687037 1179242721 /nfs/dbraw/zinc/24/27/21/1179242721.db2.gz DCOSCBTULBAFDR-CALCHBBNSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001481111252 1179762251 /nfs/dbraw/zinc/76/22/51/1179762251.db2.gz GLGLWMVXTMJWQT-IRXDYDNUSA-N 2 0 333.520 2.347 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267762972 1180442792 /nfs/dbraw/zinc/44/27/92/1180442792.db2.gz VEOIFNNFJNKVCH-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001267842984 1180622559 /nfs/dbraw/zinc/62/25/59/1180622559.db2.gz DJYNMKCPCSDLOT-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267885840 1180686625 /nfs/dbraw/zinc/68/66/25/1180686625.db2.gz BJBQJMNWJFDWDV-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001481318241 1181019470 /nfs/dbraw/zinc/01/94/70/1181019470.db2.gz UEETXSHTEPGYQD-TXEJJXNPSA-N 2 0 344.912 2.217 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481342373 1181073389 /nfs/dbraw/zinc/07/33/89/1181073389.db2.gz OWXJGJZKENRXPN-ZDUSSCGKSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1nc(CN(CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)C)co1 ZINC001481349892 1181093248 /nfs/dbraw/zinc/09/32/48/1181093248.db2.gz AJRJPHNGQXDAEL-SFHVURJKSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC001481350732 1181094212 /nfs/dbraw/zinc/09/42/12/1181094212.db2.gz QDIWPDHVYBNSPB-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001481408681 1181241346 /nfs/dbraw/zinc/24/13/46/1181241346.db2.gz DOSMVMANTCCAAI-MJGOQNOKSA-N 2 0 344.503 2.236 10 0 EEAERP O=C(NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001481432039 1181325202 /nfs/dbraw/zinc/32/52/02/1181325202.db2.gz KKPCVVSOAAWUSR-PKOBYXMFSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001268169578 1181933633 /nfs/dbraw/zinc/93/36/33/1181933633.db2.gz CSIDHQQSTAOKNW-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP C[NH+](C)CCC(=O)NCC1C[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001481642179 1182017989 /nfs/dbraw/zinc/01/79/89/1182017989.db2.gz CSGDKTVBXLVDNT-SFHVURJKSA-N 2 0 333.451 2.203 10 0 EEAERP CN(CC[N@H+](C)CCCCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001268255238 1182086494 /nfs/dbraw/zinc/08/64/94/1182086494.db2.gz UKJLGKWASSGCOS-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001268426052 1182592940 /nfs/dbraw/zinc/59/29/40/1182592940.db2.gz JDANDIMRVJOVOS-AEFFLSMTSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@](C[NH2+]CCC1CC1)(NC(=O)[C@H]1CCn2cncc2C1)C1CC1 ZINC001481933604 1182983745 /nfs/dbraw/zinc/98/37/45/1182983745.db2.gz MNOGXSYXNQXSNH-HNAYVOBHSA-N 2 0 330.476 2.120 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268499551 1183030928 /nfs/dbraw/zinc/03/09/28/1183030928.db2.gz MYTXOUYZIAKWBW-QGZVFWFLSA-N 2 0 336.480 2.050 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268499549 1183031670 /nfs/dbraw/zinc/03/16/70/1183031670.db2.gz MYTXOUYZIAKWBW-KRWDZBQOSA-N 2 0 336.480 2.050 10 0 EEAERP Cc1cncc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001482007760 1183129539 /nfs/dbraw/zinc/12/95/39/1183129539.db2.gz FBWFEGAFYNNCIP-LJQANCHMSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]Cc3ccsc3)CC2)C1 ZINC001482008516 1183131645 /nfs/dbraw/zinc/13/16/45/1183131645.db2.gz WFCRFYTWQSJOTN-KRWDZBQOSA-N 2 0 335.517 2.418 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001482033626 1183179013 /nfs/dbraw/zinc/17/90/13/1183179013.db2.gz MEYBXKSGYFCXML-RBUKOAKNSA-N 2 0 345.487 2.056 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](Cc2ccccn2)CC1 ZINC001482052012 1183248585 /nfs/dbraw/zinc/24/85/85/1183248585.db2.gz XGFXCAOOAUFKSN-UHFFFAOYSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ncoc1C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001482071286 1183297847 /nfs/dbraw/zinc/29/78/47/1183297847.db2.gz QYUNIFOFGCCLAH-UHFFFAOYSA-N 2 0 348.491 2.138 10 0 EEAERP O=C(CCn1ccnc1)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001268578459 1183339259 /nfs/dbraw/zinc/33/92/59/1183339259.db2.gz YHJXDWANWSWDPK-UPHRSURJSA-N 2 0 332.835 2.389 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001268591208 1183392418 /nfs/dbraw/zinc/39/24/18/1183392418.db2.gz OLUMGVDHBVFTJJ-APHBUQMISA-N 2 0 329.488 2.407 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCc1cccc(F)c1 ZINC001482169774 1183496760 /nfs/dbraw/zinc/49/67/60/1183496760.db2.gz WCBFSFNGPZFISE-NVXWUHKLSA-N 2 0 335.467 2.052 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001268614797 1183530351 /nfs/dbraw/zinc/53/03/51/1183530351.db2.gz YRZOMHMWWYZOJX-GWQWAINWSA-N 2 0 337.414 2.069 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001268625782 1183548775 /nfs/dbraw/zinc/54/87/75/1183548775.db2.gz KYTWJOOJJDPAMA-ZRMMWKCHSA-N 2 0 339.842 2.193 10 0 EEAERP Cc1ncccc1CN1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268917377 1183825758 /nfs/dbraw/zinc/82/57/58/1183825758.db2.gz QWZUIARMLGPELG-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268946311 1183851661 /nfs/dbraw/zinc/85/16/61/1183851661.db2.gz MSXZJOSERVCFGT-GOSISDBHSA-N 2 0 340.471 2.125 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCc2ccsc2)C2CC2)C1 ZINC001269145109 1183999520 /nfs/dbraw/zinc/99/95/20/1183999520.db2.gz NGRXCKIUTSQKFQ-DLBZAZTESA-N 2 0 335.517 2.117 10 0 EEAERP Cc1oncc1CN1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001269301947 1184152856 /nfs/dbraw/zinc/15/28/56/1184152856.db2.gz ORWIYOXRBRJYHL-GOSISDBHSA-N 2 0 348.491 2.282 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001269607185 1184434525 /nfs/dbraw/zinc/43/45/25/1184434525.db2.gz WVMMXHMIGFODFL-DOMZBBRYSA-N 2 0 334.291 2.274 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001269653054 1184481534 /nfs/dbraw/zinc/48/15/34/1184481534.db2.gz UQURJGPTPNXEIS-ABAIWWIYSA-N 2 0 334.291 2.132 10 0 EEAERP COCCCC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001269709467 1184539271 /nfs/dbraw/zinc/53/92/71/1184539271.db2.gz ZGNQLFNYNLMVIV-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001280042131 1184552278 /nfs/dbraw/zinc/55/22/78/1184552278.db2.gz QSTAWNSYSNJVSR-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)co1 ZINC001269737170 1184570475 /nfs/dbraw/zinc/57/04/75/1184570475.db2.gz HZGUYWSZEDYIQK-QGPMSJSTSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001269738596 1184576159 /nfs/dbraw/zinc/57/61/59/1184576159.db2.gz UAPZDHVDEXCBBN-QGPMSJSTSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001269935185 1184728604 /nfs/dbraw/zinc/72/86/04/1184728604.db2.gz LUWULBJIYCHDKO-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482342157 1185449713 /nfs/dbraw/zinc/44/97/13/1185449713.db2.gz IZQPKJTYCPQAKH-AWEZNQCLSA-N 2 0 346.500 2.455 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCC(C)CC2)s1 ZINC001482344260 1185458538 /nfs/dbraw/zinc/45/85/38/1185458538.db2.gz MZCNLXQELVBIKA-AWEZNQCLSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482354408 1185491488 /nfs/dbraw/zinc/49/14/88/1185491488.db2.gz QNZCYHMXYREOGJ-HUUCEWRRSA-N 2 0 333.451 2.419 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCCF)C2CCCCC2)C1 ZINC001482409530 1185637745 /nfs/dbraw/zinc/63/77/45/1185637745.db2.gz NHRFYOIHEPIJGA-NVXWUHKLSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861474 1187775511 /nfs/dbraw/zinc/77/55/11/1187775511.db2.gz VZKJMRRAFDTPIZ-AWEZNQCLSA-N 2 0 348.491 2.411 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001482866579 1187786010 /nfs/dbraw/zinc/78/60/10/1187786010.db2.gz AHPZNLHMSCGOFV-WCQYABFASA-N 2 0 346.928 2.367 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001482876038 1187795771 /nfs/dbraw/zinc/79/57/71/1187795771.db2.gz FUTHWAJKVKFMIX-HOCLYGCPSA-N 2 0 347.507 2.062 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)c(C)o1 ZINC001482901793 1187813919 /nfs/dbraw/zinc/81/39/19/1187813919.db2.gz NDXZJLXDERLFEI-XJKSGUPXSA-N 2 0 336.480 2.150 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnc(C)s1 ZINC001483015050 1187999213 /nfs/dbraw/zinc/99/92/13/1187999213.db2.gz CQKLYVPLDMMSNP-AWFCHZOYSA-N 2 0 336.505 2.088 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)CC1 ZINC001483075596 1188434775 /nfs/dbraw/zinc/43/47/75/1188434775.db2.gz MJOWZMDVGCVJCL-ONEGZZNKSA-N 2 0 335.414 2.321 10 0 EEAERP CCC[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001483086010 1188449589 /nfs/dbraw/zinc/44/95/89/1188449589.db2.gz HBUQJAAAAGWOPY-WRFKIARRSA-N 2 0 333.451 2.417 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001272824099 1193563166 /nfs/dbraw/zinc/56/31/66/1193563166.db2.gz UTLNVUJHNBHJER-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001485874543 1193627026 /nfs/dbraw/zinc/62/70/26/1193627026.db2.gz ZIZQHHPGFAPILJ-GDBMZVCRSA-N 2 0 338.521 2.261 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cccnc2C)CC[N@@H+]1C ZINC001485878926 1193624660 /nfs/dbraw/zinc/62/46/60/1193624660.db2.gz XLJYSINDFGKQQK-JCGIZDLHSA-N 2 0 332.492 2.057 10 0 EEAERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001409439148 1189680472 /nfs/dbraw/zinc/68/04/72/1189680472.db2.gz GDBPNWGOLTXJAM-HOTGVXAUSA-N 2 0 341.540 2.216 10 0 EEAERP Cc1nccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001409483174 1189844765 /nfs/dbraw/zinc/84/47/65/1189844765.db2.gz YZJNGCFXBJMXKM-JKSUJKDBSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cc2ccccc2o1 ZINC001409494000 1189857847 /nfs/dbraw/zinc/85/78/47/1189857847.db2.gz AFGYGSDUPQATQA-PBHICJAKSA-N 2 0 329.444 2.464 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001409628113 1190125436 /nfs/dbraw/zinc/12/54/36/1190125436.db2.gz DIWRKPLEOGEMRV-SJORKVTESA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001409680817 1190180609 /nfs/dbraw/zinc/18/06/09/1190180609.db2.gz FEPYRUIZHKVXMM-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001409761725 1190251445 /nfs/dbraw/zinc/25/14/45/1190251445.db2.gz KLODPSMPAKOKIS-CVEARBPZSA-N 2 0 345.478 2.446 10 0 EEAERP COCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001486086821 1193677556 /nfs/dbraw/zinc/67/75/56/1193677556.db2.gz ZSMYYGDUNZQYSC-QFBILLFUSA-N 2 0 347.503 2.254 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483475458 1190496373 /nfs/dbraw/zinc/49/63/73/1190496373.db2.gz UJSCTSDVCXOOHC-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CN(CCC[NH2+]Cc1csc(Cl)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001483488523 1190507853 /nfs/dbraw/zinc/50/78/53/1190507853.db2.gz SJFYFQLIXOOHEA-UHFFFAOYSA-N 2 0 344.912 2.076 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1F ZINC001483492949 1190509845 /nfs/dbraw/zinc/50/98/45/1190509845.db2.gz NVTQHKHGWJCDIF-HNNXBMFYSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001483509369 1190523765 /nfs/dbraw/zinc/52/37/65/1190523765.db2.gz JWRSVNOLKCCAOB-HIFRSBDPSA-N 2 0 339.430 2.416 10 0 EEAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)OC ZINC001493543109 1190527047 /nfs/dbraw/zinc/52/70/47/1190527047.db2.gz CENFEOBTYPMYIW-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001483560223 1190548661 /nfs/dbraw/zinc/54/86/61/1190548661.db2.gz CEYVWDUXLIXWQM-HOTGVXAUSA-N 2 0 336.505 2.000 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCc2ccccc2F)C2CC2)CC1 ZINC001483586761 1190572997 /nfs/dbraw/zinc/57/29/97/1190572997.db2.gz VCWICARPBQMEEJ-IBGZPJMESA-N 2 0 347.478 2.194 10 0 EEAERP Cc1cc(CN2CCCCC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)on1 ZINC001409828512 1190659906 /nfs/dbraw/zinc/65/99/06/1190659906.db2.gz ORFGEQVUMRAEKL-NVXWUHKLSA-N 2 0 348.491 2.186 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cnccc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001409831188 1190663649 /nfs/dbraw/zinc/66/36/49/1190663649.db2.gz WQTCEIKTKDVZOI-BHIYHBOVSA-N 2 0 346.519 2.495 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1F)CC2 ZINC001486143354 1193695672 /nfs/dbraw/zinc/69/56/72/1193695672.db2.gz AHORIKYBCKSCNN-MJGOQNOKSA-N 2 0 333.451 2.391 10 0 EEAERP Cc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001272280710 1190738311 /nfs/dbraw/zinc/73/83/11/1190738311.db2.gz MBOGGNCZGLIFMS-PBHICJAKSA-N 2 0 332.423 2.490 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)c1cccc(OC)c1 ZINC001483690501 1190762410 /nfs/dbraw/zinc/76/24/10/1190762410.db2.gz YLHCJBHMIMVUCJ-WBVHZDCISA-N 2 0 333.476 2.289 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001483759472 1190986910 /nfs/dbraw/zinc/98/69/10/1190986910.db2.gz IDHGQNUJMDXOKM-QAPCUYQASA-N 2 0 345.487 2.479 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001483774814 1191017503 /nfs/dbraw/zinc/01/75/03/1191017503.db2.gz FVGVGWWLCNZTKP-SJLPKXTDSA-N 2 0 342.487 2.145 10 0 EEAERP CCOCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832549 1191069477 /nfs/dbraw/zinc/06/94/77/1191069477.db2.gz KKJDXTBGTZMQDA-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001483824110 1191074648 /nfs/dbraw/zinc/07/46/48/1191074648.db2.gz BAQTWVWHUROCPG-MWDXBVQZSA-N 2 0 345.478 2.480 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847152 1191082729 /nfs/dbraw/zinc/08/27/29/1191082729.db2.gz FWSIHRNRRQYDRL-HKUYNNGSSA-N 2 0 339.499 2.392 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cncs2)C[C@H]1C ZINC001483914452 1191114471 /nfs/dbraw/zinc/11/44/71/1191114471.db2.gz AECTWRIYFZEAEW-CABCVRRESA-N 2 0 338.521 2.344 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC3)CCN1C(=O)CC[NH+](C)C ZINC001483908202 1191120331 /nfs/dbraw/zinc/12/03/31/1191120331.db2.gz IJOMNNXBRAHOGK-DNVCBOLYSA-N 2 0 345.487 2.138 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CCCC2)CC1 ZINC001484006942 1191148922 /nfs/dbraw/zinc/14/89/22/1191148922.db2.gz PTTZGEKHCMJXSM-SGNXQUTQSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001484010127 1191153535 /nfs/dbraw/zinc/15/35/35/1191153535.db2.gz VQHZHXXBUXHUSL-KBXCAEBGSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484013311 1191155575 /nfs/dbraw/zinc/15/55/75/1191155575.db2.gz SGPXOQXXGARSEU-GOEBONIOSA-N 2 0 325.472 2.095 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001484057380 1191185815 /nfs/dbraw/zinc/18/58/15/1191185815.db2.gz JCKSCZPOCGAMJL-IEBWSBKVSA-N 2 0 333.451 2.345 10 0 EEAERP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](C/C=C\Cl)C1 ZINC001484175378 1191260721 /nfs/dbraw/zinc/26/07/21/1191260721.db2.gz WFFXKUYTGUKREK-NKPXIPJASA-N 2 0 325.884 2.053 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1c(C)noc1C)C2 ZINC001484321666 1191303792 /nfs/dbraw/zinc/30/37/92/1191303792.db2.gz PZFHAHSMGVOTLP-BBWFWOEESA-N 2 0 348.491 2.102 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001484406836 1191333762 /nfs/dbraw/zinc/33/37/62/1191333762.db2.gz IYBIANKWKIYFMA-KUJXZDLGSA-N 2 0 333.520 2.463 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001484524515 1191398007 /nfs/dbraw/zinc/39/80/07/1191398007.db2.gz IOZOPPWFVKSDLR-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484547023 1191408427 /nfs/dbraw/zinc/40/84/27/1191408427.db2.gz LYONBSHACKOEBB-AEFFLSMTSA-N 2 0 347.478 2.496 10 0 EEAERP CCC1([NH2+]CCOC(C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484811836 1191533240 /nfs/dbraw/zinc/53/32/40/1191533240.db2.gz AGEAKWKJLBDFJQ-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001484902212 1191565768 /nfs/dbraw/zinc/56/57/68/1191565768.db2.gz QLOJBBMJYDBCIQ-QFBILLFUSA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001484892095 1191566385 /nfs/dbraw/zinc/56/63/85/1191566385.db2.gz NSKFBRRVBOQRGF-QAPCUYQASA-N 2 0 341.459 2.364 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001484897685 1191568132 /nfs/dbraw/zinc/56/81/32/1191568132.db2.gz PPTYDMVXBRAJLD-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485157542 1191673322 /nfs/dbraw/zinc/67/33/22/1191673322.db2.gz MFHADLMZHCBKQG-STQMWFEESA-N 2 0 339.430 2.432 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485205550 1191692693 /nfs/dbraw/zinc/69/26/93/1191692693.db2.gz CWNSBXDEPNJXDJ-DLBZAZTESA-N 2 0 346.519 2.493 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]Cc2ccns2)CCCCC1 ZINC001485458734 1191797307 /nfs/dbraw/zinc/79/73/07/1191797307.db2.gz ORKJCINUFMOMDH-UHFFFAOYSA-N 2 0 336.505 2.148 10 0 EEAERP COC[C@H](C)[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001486249039 1193775968 /nfs/dbraw/zinc/77/59/68/1193775968.db2.gz HTJVVZBXNSCVAA-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC(C)C)C1 ZINC001486453214 1193975356 /nfs/dbraw/zinc/97/53/56/1193975356.db2.gz XAAOPDIOMFRXTD-KGLIPLIRSA-N 2 0 337.430 2.353 10 0 EEAERP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001486481379 1193995250 /nfs/dbraw/zinc/99/52/50/1193995250.db2.gz MCQPJADUIORMGR-UHFFFAOYSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272965160 1194273484 /nfs/dbraw/zinc/27/34/84/1194273484.db2.gz AUSPSRAJSHDBTE-BBRMVZONSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001410160699 1197575329 /nfs/dbraw/zinc/57/53/29/1197575329.db2.gz PEAXYIVAQPICHL-AKHDSKFASA-N 2 0 333.520 2.201 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001410170551 1197580325 /nfs/dbraw/zinc/58/03/25/1197580325.db2.gz NOBHSFVOTMAFFH-CVEARBPZSA-N 2 0 345.478 2.339 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001410209318 1197608888 /nfs/dbraw/zinc/60/88/88/1197608888.db2.gz PETNVELXFLCHDN-XIRDDKMYSA-N 2 0 327.488 2.339 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001410310187 1197672769 /nfs/dbraw/zinc/67/27/69/1197672769.db2.gz KYWJVSDXCBMMSR-CZUORRHYSA-N 2 0 343.462 2.200 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001410306019 1197685182 /nfs/dbraw/zinc/68/51/82/1197685182.db2.gz SPQBYDXHIDLWMC-OALUTQOASA-N 2 0 345.487 2.116 10 0 EEAERP CC(C)[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257561 1198115606 /nfs/dbraw/zinc/11/56/06/1198115606.db2.gz SYGJRXAATYEMOK-OKYOBFRVSA-N 2 0 343.471 2.293 10 0 EEAERP CCn1nnc(C)c1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865775090 1198370918 /nfs/dbraw/zinc/37/09/18/1198370918.db2.gz QKGODIBLTCFIEZ-UHFFFAOYSA-N 2 0 327.476 2.360 10 0 EEAERP CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000865776810 1198371830 /nfs/dbraw/zinc/37/18/30/1198371830.db2.gz JWYPBDBSEOYDJJ-SJORKVTESA-N 2 0 337.508 2.009 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CC[NH+](C)C ZINC001410853602 1198504878 /nfs/dbraw/zinc/50/48/78/1198504878.db2.gz JTKLCBAPOZJDPP-RHSMWYFYSA-N 2 0 337.895 2.413 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](C[C@H]1CCCCO1)CC2 ZINC001410914010 1198568524 /nfs/dbraw/zinc/56/85/24/1198568524.db2.gz UTDLKQBVKVTLET-AOIWGVFYSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC2(C)C)cn1 ZINC001411026929 1198705296 /nfs/dbraw/zinc/70/52/96/1198705296.db2.gz UQXVSDOUKMYOOA-WBVHZDCISA-N 2 0 347.507 2.013 10 0 EEAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CCF)CC1 ZINC001411259788 1198993614 /nfs/dbraw/zinc/99/36/14/1198993614.db2.gz JYLBQKGHDZOKPN-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000810367294 1199451037 /nfs/dbraw/zinc/45/10/37/1199451037.db2.gz JEEYZMQQIFEQHA-YJBOKZPZSA-N 2 0 325.472 2.286 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[C@H]2C=CCC2)C[C@H]1C[NH+](C)C ZINC000876337858 1199591421 /nfs/dbraw/zinc/59/14/21/1199591421.db2.gz UYIVZPGZTMGLSZ-RCCFBDPRSA-N 2 0 336.524 2.114 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CCCc2ccsc2)C[C@H]1C[NH+](C)C ZINC000870022133 1200411959 /nfs/dbraw/zinc/41/19/59/1200411959.db2.gz ONNJEYRUUUZWEZ-IAGOWNOFSA-N 2 0 337.533 2.269 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1C[NH+](C)C ZINC000870024252 1200413087 /nfs/dbraw/zinc/41/30/87/1200413087.db2.gz MKRNDHZWIMOUCW-IAGOWNOFSA-N 2 0 340.471 2.046 10 0 EEAERP CCc1nccn1[C@H](C)CC(=O)N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC000870093877 1200462923 /nfs/dbraw/zinc/46/29/23/1200462923.db2.gz XPWLZLQUQZBMRN-RHSMWYFYSA-N 2 0 342.443 2.275 10 0 EEAERP C[NH2+]CCOCCN(C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000866668460 1201575245 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339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001274512380 1205062915 /nfs/dbraw/zinc/06/29/15/1205062915.db2.gz WZFPJHRZMHYABO-REUDQUMMSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC001275482996 1205379963 /nfs/dbraw/zinc/37/99/63/1205379963.db2.gz XXGOKNQTBUMNHL-IAGOWNOFSA-N 2 0 347.503 2.280 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCCCC(F)(F)F)CC[N@@H+]1C ZINC001276006975 1205631911 /nfs/dbraw/zinc/63/19/11/1205631911.db2.gz IOZRFQGBISUZDY-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001412149562 1205655966 /nfs/dbraw/zinc/65/59/66/1205655966.db2.gz OEQWURWNVNSVJQ-INIZCTEOSA-N 2 0 327.488 2.247 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001276170910 1205812357 /nfs/dbraw/zinc/81/23/57/1205812357.db2.gz SUHLIPVYQGHNTI-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001276209628 1205834335 /nfs/dbraw/zinc/83/43/35/1205834335.db2.gz XZWLVDJXNFLFRG-ZDUSSCGKSA-N 2 0 327.419 2.416 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001276227826 1205844389 /nfs/dbraw/zinc/84/43/89/1205844389.db2.gz YOAQGZWAELNKDH-UHFFFAOYSA-N 2 0 334.508 2.306 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccns1 ZINC001276257923 1205859464 /nfs/dbraw/zinc/85/94/64/1205859464.db2.gz CZNRNAFRKFFZHP-INIZCTEOSA-N 2 0 338.521 2.344 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1ccnn1CC1CCC1)CN1CC[NH+](C)CC1 ZINC000924952637 1206055037 /nfs/dbraw/zinc/05/50/37/1206055037.db2.gz NUPFOOLDGHGKGP-IAGOWNOFSA-N 2 0 333.524 2.217 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000925327512 1206097518 /nfs/dbraw/zinc/09/75/18/1206097518.db2.gz GCMIFKBRMVIDBG-SJLPKXTDSA-N 2 0 332.492 2.161 10 0 EEAERP O=C(CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)NCc1ccccc1 ZINC000925541569 1206125406 /nfs/dbraw/zinc/12/54/06/1206125406.db2.gz BPBGIVLSDUKARK-RTBURBONSA-N 2 0 329.488 2.451 10 0 EEAERP C[NH+](C)CCOc1cccc(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925564998 1206128762 /nfs/dbraw/zinc/12/87/62/1206128762.db2.gz XBUXGMMHDRFTCM-QYZOEREBSA-N 2 0 331.504 2.493 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563633 1206128769 /nfs/dbraw/zinc/12/87/69/1206128769.db2.gz OTGNUYCQEJBMDN-BHIYHBOVSA-N 2 0 336.451 2.323 10 0 EEAERP CCOC(=O)COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925573835 1206130651 /nfs/dbraw/zinc/13/06/51/1206130651.db2.gz REDDHZZFDZVOPR-IRXDYDNUSA-N 2 0 332.444 2.031 10 0 EEAERP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777046 1206153134 /nfs/dbraw/zinc/15/31/34/1206153134.db2.gz BYPLCZHNHIJVRI-OLZOCXBDSA-N 2 0 341.402 2.247 10 0 EEAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925834855 1206158745 /nfs/dbraw/zinc/15/87/45/1206158745.db2.gz PBKDZQVBOSPRTK-GVDBMIGSSA-N 2 0 336.501 2.000 10 0 EEAERP c1nnc([C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C2CCCCC2)[nH]1 ZINC000925842604 1206159341 /nfs/dbraw/zinc/15/93/41/1206159341.db2.gz ACOUWGRKLXTYMB-KRWDZBQOSA-N 2 0 334.512 2.091 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)c1 ZINC000925848348 1206160047 /nfs/dbraw/zinc/16/00/47/1206160047.db2.gz GDCJAGCXIQCDOT-GDBMZVCRSA-N 2 0 332.444 2.340 10 0 EEAERP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850493 1206160629 /nfs/dbraw/zinc/16/06/29/1206160629.db2.gz BGCBYPPLSSELHM-SJLPKXTDSA-N 2 0 344.455 2.348 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1cccnc1 ZINC000925907225 1206166421 /nfs/dbraw/zinc/16/64/21/1206166421.db2.gz ZAYRLVMQFBCDLM-KRWDZBQOSA-N 2 0 347.507 2.106 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CCCCC1 ZINC000928089826 1206339038 /nfs/dbraw/zinc/33/90/38/1206339038.db2.gz LDDBZEZKUOBYRJ-DLBZAZTESA-N 2 0 339.549 2.337 10 0 EEAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@H]21 ZINC000929848980 1206508801 /nfs/dbraw/zinc/50/88/01/1206508801.db2.gz VKYANMGHEZWZGT-WTGUMLROSA-N 2 0 332.488 2.277 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C[C@H]3CCC[NH+]3C)C2)O1 ZINC000931703423 1207444725 /nfs/dbraw/zinc/44/47/25/1207444725.db2.gz IZYDIMLKQYBUAT-CEWLAPEOSA-N 2 0 343.515 2.446 10 0 EEAERP C1CO[C@H]([C@@H]2C[C@@H](c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)CC[NH2+]2)C1 ZINC000900017244 1233977702 /nfs/dbraw/zinc/97/77/02/1233977702.db2.gz ZZJUAIOMAYTIGC-BLSAQUIMSA-N 2 0 332.448 2.082 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901128482 1235257998 /nfs/dbraw/zinc/25/79/98/1235257998.db2.gz XQGUOCCYWGKDIZ-IEBWSBKVSA-N 2 0 345.487 2.299 10 0 EEAERP C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903215974 1240029627 /nfs/dbraw/zinc/02/96/27/1240029627.db2.gz RUTHEIXXAYNOBQ-UHOSZYNNSA-N 2 0 329.488 2.355 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ncc(-c3cccs3)o1)C2 ZINC000903493211 1240660284 /nfs/dbraw/zinc/66/02/84/1240660284.db2.gz PEXYBAALCPQYKY-JKDFXYPNSA-N 2 0 347.440 2.115 10 0 EEAERP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496869 1240675855 /nfs/dbraw/zinc/67/58/55/1240675855.db2.gz IIEYNQYZXUCFHW-SJLPKXTDSA-N 2 0 347.503 2.145 10 0 EEAERP c1ccc(COC[C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903734918 1241767954 /nfs/dbraw/zinc/76/79/54/1241767954.db2.gz XKSDDNFMTUQLEW-HSALFYBXSA-N 2 0 330.472 2.294 10 0 EEAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903757032 1241850975 /nfs/dbraw/zinc/85/09/75/1241850975.db2.gz AQGCBKKXYMLMKI-HXUWFJFHSA-N 2 0 342.483 2.449 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCOc2ccc(C)cc2)cnn1C ZINC000903876781 1242280274 /nfs/dbraw/zinc/28/02/74/1242280274.db2.gz INUOIFNUWIUYKJ-KRWDZBQOSA-N 2 0 330.476 2.165 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cnn1C ZINC000903896251 1242373580 /nfs/dbraw/zinc/37/35/80/1242373580.db2.gz UIMNKJQUXWWICO-LPHOPBHVSA-N 2 0 327.476 2.386 10 0 EEAERP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921888 1242509905 /nfs/dbraw/zinc/50/99/05/1242509905.db2.gz SDLCOOXMQNRDGJ-KDOFPFPSSA-N 2 0 328.460 2.132 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903934416 1242564620 /nfs/dbraw/zinc/56/46/20/1242564620.db2.gz GSELKULYVXYASP-SFHVURJKSA-N 2 0 347.551 2.186 10 0 EEAERP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903974528 1242812002 /nfs/dbraw/zinc/81/20/02/1242812002.db2.gz QRHNEDDUVURFOM-IIAWOOMASA-N 2 0 347.459 2.026 10 0 EEAERP CN(c1ccccc1CN1C[C@@H]([NH3+])C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000903986533 1242879245 /nfs/dbraw/zinc/87/92/45/1242879245.db2.gz LRFHBIRLKZFFLJ-LJQANCHMSA-N 2 0 330.520 2.386 10 0 EEAERP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[NH+]1CCCCCC1 ZINC001491060932 1258621144 /nfs/dbraw/zinc/62/11/44/1258621144.db2.gz CIHOBBVLNFVBIN-ZACQAIPSSA-N 2 0 337.508 2.057 10 0 EEAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001273802052 1285956001 /nfs/dbraw/zinc/95/60/01/1285956001.db2.gz NEXKWOZPUKLDOD-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001489280926 1290505393 /nfs/dbraw/zinc/50/53/93/1290505393.db2.gz KPEDRZTVHJZUIF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC[C@H]1CCCCO1 ZINC001490343738 1291158837 /nfs/dbraw/zinc/15/88/37/1291158837.db2.gz ZWMDDRFKDWSQLJ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(O[C@@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)nc1 ZINC000858039752 1293992691 /nfs/dbraw/zinc/99/26/91/1293992691.db2.gz INEGNDDCNOBRRQ-LJQANCHMSA-N 2 0 346.519 2.259 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)CC1 ZINC000858101552 1294006510 /nfs/dbraw/zinc/00/65/10/1294006510.db2.gz BKOZNGQDECQDGK-UHFFFAOYSA-N 2 0 328.435 2.258 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC[NH+](C)CC1 ZINC000926995983 1296983435 /nfs/dbraw/zinc/98/34/35/1296983435.db2.gz VOIZJZPQFVCJMY-QSPRXWTASA-N 2 0 337.508 2.419 10 0 EEAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931367906 1297161221 /nfs/dbraw/zinc/16/12/21/1297161221.db2.gz DXHWWXJCCBAAOV-CVEARBPZSA-N 2 0 328.460 2.199 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001277014439 1300830883 /nfs/dbraw/zinc/83/08/83/1300830883.db2.gz OGNWTSKVCVZQGC-RBSFLKMASA-N 2 0 345.422 2.113 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001277053676 1301051803 /nfs/dbraw/zinc/05/18/03/1301051803.db2.gz QMPPODXUELCCNA-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277149156 1301517038 /nfs/dbraw/zinc/51/70/38/1301517038.db2.gz ZRSCSBDICCBVLU-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001277328072 1302434847 /nfs/dbraw/zinc/43/48/47/1302434847.db2.gz GHVYUIRTFXYXKO-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCF)C12CC[NH+](CC1)C2 ZINC001277449645 1303114595 /nfs/dbraw/zinc/11/45/95/1303114595.db2.gz MMWCVVYZSYZQET-CALCHBBNSA-N 2 0 337.483 2.287 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCCCCF)C3)C2)CC[N@@H+]1C ZINC001277516850 1303812230 /nfs/dbraw/zinc/81/22/30/1303812230.db2.gz PLQFLMSIRLSHPC-LMMKCTJWSA-N 2 0 339.499 2.391 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001277859090 1304939619 /nfs/dbraw/zinc/93/96/19/1304939619.db2.gz SGKFVOCUMFOTIA-NZSAHSFTSA-N 2 0 329.488 2.150 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001278276503 1308949747 /nfs/dbraw/zinc/94/97/47/1308949747.db2.gz WGXLERWHSNLHBE-IRXDYDNUSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001278402835 1310058936 /nfs/dbraw/zinc/05/89/36/1310058936.db2.gz DECLMWWVQKBXTO-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP COCCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001278414947 1310161195 /nfs/dbraw/zinc/16/11/95/1310161195.db2.gz VPFGNSGWBLHPJI-IBGZPJMESA-N 2 0 339.524 2.258 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC001276398905 1314726937 /nfs/dbraw/zinc/72/69/37/1314726937.db2.gz FBWGMQZJGZMHPU-KBPBESRZSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)n1 ZINC000843505016 1315924856 /nfs/dbraw/zinc/92/48/56/1315924856.db2.gz UBEYISVVKJZUIU-UONOGXRCSA-N 2 0 336.867 2.224 10 0 EEAERP Cc1ncc2n1C[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC3CC3)C1)CC2 ZINC001278541872 1317187118 /nfs/dbraw/zinc/18/71/18/1317187118.db2.gz CNOUNUSMXRKWGC-FXAWDEMLSA-N 2 0 344.503 2.382 10 0 EEAERP COc1ccccc1CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567198 1322500749 /nfs/dbraw/zinc/50/07/49/1322500749.db2.gz DHUMCNQMQMPXLD-MRXNPFEDSA-N 2 0 347.503 2.064 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCCC(F)(F)F ZINC001264727336 1322793924 /nfs/dbraw/zinc/79/39/24/1322793924.db2.gz GYZIEDMLYUKQBQ-KGLIPLIRSA-N 2 0 347.425 2.394 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCCN(C)Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001265027097 1322870778 /nfs/dbraw/zinc/87/07/78/1322870778.db2.gz FUBFYJJDBJOAOC-HOCLYGCPSA-N 2 0 348.491 2.220 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2ccc(F)c(F)c2)C1 ZINC001265036321 1322878933 /nfs/dbraw/zinc/87/89/33/1322878933.db2.gz BGBUSPTUHICXRB-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1c(F)cccc1F ZINC001265058256 1322898939 /nfs/dbraw/zinc/89/89/39/1322898939.db2.gz NMQCJEMPZFSQSN-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCc1cccs1 ZINC001265114912 1322928014 /nfs/dbraw/zinc/92/80/14/1322928014.db2.gz SHFHBIMPNQQBGA-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C)c(OC)c1 ZINC001265146101 1322947973 /nfs/dbraw/zinc/94/79/73/1322947973.db2.gz NBCUWVNHSWJQKS-GOSISDBHSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001265609401 1323263410 /nfs/dbraw/zinc/26/34/10/1323263410.db2.gz OINLJIPDLYHOGK-HZSPNIEDSA-N 2 0 335.414 2.107 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1oc(C)nc1C ZINC001265978477 1323538673 /nfs/dbraw/zinc/53/86/73/1323538673.db2.gz OHYYFEDSZNPJSZ-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1N(C)C ZINC001266109445 1323676623 /nfs/dbraw/zinc/67/66/23/1323676623.db2.gz WMBAAWGNHLVTJG-GOSISDBHSA-N 2 0 346.519 2.033 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279298138 1323867926 /nfs/dbraw/zinc/86/79/26/1323867926.db2.gz XFRXSNNBXBOMMU-SJLPKXTDSA-N 2 0 335.467 2.447 10 0 EEAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001279307432 1323870027 /nfs/dbraw/zinc/87/00/27/1323870027.db2.gz HUMJVLBIFFXHJE-AATRIKPKSA-N 2 0 337.508 2.033 10 0 EEAERP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001279395419 1323896042 /nfs/dbraw/zinc/89/60/42/1323896042.db2.gz IXZYYOYHNMKZDW-WOQGQJNTSA-N 2 0 333.520 2.465 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2scnc2C)C1)[NH+](C)C ZINC001280093588 1324082029 /nfs/dbraw/zinc/08/20/29/1324082029.db2.gz BLSRNHBUFFMKMY-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001282066589 1325606835 /nfs/dbraw/zinc/60/68/35/1325606835.db2.gz OPYAXXYKPRVNAQ-XEVCZEQESA-N 2 0 343.515 2.445 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001282833751 1325801519 /nfs/dbraw/zinc/80/15/19/1325801519.db2.gz RDXKDGICBJWDFO-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001282927905 1325838710 /nfs/dbraw/zinc/83/87/10/1325838710.db2.gz IKIPQWHZQXEVGH-FUHWJXTLSA-N 2 0 337.508 2.034 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001283079338 1325912058 /nfs/dbraw/zinc/91/20/58/1325912058.db2.gz ZJGJVVCMLCHWDF-HYLXBKALSA-N 2 0 325.884 2.240 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001283493109 1326097304 /nfs/dbraw/zinc/09/73/04/1326097304.db2.gz MOPROBAOTQTOKZ-UXHICEINSA-N 2 0 343.515 2.458 10 0 EEAERP COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001316662483 1329974932 /nfs/dbraw/zinc/97/49/32/1329974932.db2.gz KYFTXRAIYYGTTQ-OKZBNKHCSA-N 2 0 339.524 2.162 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001491885147 1330289172 /nfs/dbraw/zinc/28/91/72/1330289172.db2.gz GPQWFYHFWLXEPC-RTBURBONSA-N 2 0 347.503 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC001491891743 1330291827 /nfs/dbraw/zinc/29/18/27/1330291827.db2.gz NPNZOZUZEOHZQN-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001492110336 1330479660 /nfs/dbraw/zinc/47/96/60/1330479660.db2.gz CZOLBSPUULTVHA-IUODEOHRSA-N 2 0 338.521 2.086 10 0 EEAERP C[N@H+](CC(=O)NCCC[C@H]1CCC[NH+]1Cc1ccon1)C1CCC1 ZINC001492158402 1331021420 /nfs/dbraw/zinc/02/14/20/1331021420.db2.gz QVJNRHKZPMVWJA-KRWDZBQOSA-N 2 0 334.464 2.020 10 0 EEAERP C[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC1CC(F)(F)C1 ZINC001492422997 1331236299 /nfs/dbraw/zinc/23/62/99/1331236299.db2.gz KRRVINMETPIYLC-MRXNPFEDSA-N 2 0 349.441 2.292 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ccccc2F)CC[N@@H+]1C ZINC001316823384 1331855795 /nfs/dbraw/zinc/85/57/95/1331855795.db2.gz BINPSXZIGLOVOT-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccn1 ZINC001316895382 1331961551 /nfs/dbraw/zinc/96/15/51/1331961551.db2.gz KGQCTCMXGKPXLH-UHFFFAOYSA-N 2 0 330.476 2.038 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cnc(C)o1 ZINC001316911286 1331977146 /nfs/dbraw/zinc/97/71/46/1331977146.db2.gz ORYZCYMVNBWHID-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@H]1CC[C@@H](C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)O1 ZINC001316935822 1332001356 /nfs/dbraw/zinc/00/13/56/1332001356.db2.gz PLSGVAKEKHLXIR-WMZOPIPTSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC001316987026 1332030976 /nfs/dbraw/zinc/03/09/76/1332030976.db2.gz QGQBCOCJXNHFGA-CQSZACIVSA-N 2 0 335.414 2.251 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001317084900 1332073630 /nfs/dbraw/zinc/07/36/30/1332073630.db2.gz ASAZVHROWOZMJN-ULQDDVLXSA-N 2 0 335.517 2.402 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317227277 1332144298 /nfs/dbraw/zinc/14/42/98/1332144298.db2.gz WTUKCILZPSJVCD-UHFFFAOYSA-N 2 0 341.540 2.406 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317325310 1332180156 /nfs/dbraw/zinc/18/01/56/1332180156.db2.gz FPYDKFQWOUBAJW-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001317336835 1332184241 /nfs/dbraw/zinc/18/42/41/1332184241.db2.gz JFLSPSFCMHCUTJ-IAGOWNOFSA-N 2 0 347.478 2.148 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317359772 1332194201 /nfs/dbraw/zinc/19/42/01/1332194201.db2.gz OXAINUAFCAIKTH-RTBURBONSA-N 2 0 347.503 2.415 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001317655784 1332352679 /nfs/dbraw/zinc/35/26/79/1332352679.db2.gz YLIQLBOYHFCHEO-SFHVURJKSA-N 2 0 335.879 2.374 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317679233 1332367140 /nfs/dbraw/zinc/36/71/40/1332367140.db2.gz IEXPZINACYWDDJ-MRXNPFEDSA-N 2 0 339.499 2.439 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317955100 1332450820 /nfs/dbraw/zinc/45/08/20/1332450820.db2.gz DQGHVRVMXNEMEQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001318802042 1332599844 /nfs/dbraw/zinc/59/98/44/1332599844.db2.gz AKWCXKLLKXYTRO-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001319385292 1332692806 /nfs/dbraw/zinc/69/28/06/1332692806.db2.gz KXBJNNCHYQFGSD-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]CC2CCOCC2)ccc2c[nH+]cn21 ZINC001320474110 1332891815 /nfs/dbraw/zinc/89/18/15/1332891815.db2.gz MOMBQBDDRUBOJQ-AWEZNQCLSA-N 2 0 344.459 2.167 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cs1 ZINC001320588056 1332916133 /nfs/dbraw/zinc/91/61/33/1332916133.db2.gz QHRWDBVASPAVNR-CQSZACIVSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001320646427 1332928790 /nfs/dbraw/zinc/92/87/90/1332928790.db2.gz XRPFESQXFBBKPB-CQSZACIVSA-N 2 0 336.480 2.152 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001320862132 1332966831 /nfs/dbraw/zinc/96/68/31/1332966831.db2.gz GFTJHYMZEODWRD-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063613 1333009013 /nfs/dbraw/zinc/00/90/13/1333009013.db2.gz IOMZBTFSGJAAKC-FFPCURRISA-N 2 0 345.462 2.238 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001321208622 1333044652 /nfs/dbraw/zinc/04/46/52/1333044652.db2.gz BAPOACBWXBVOEA-JXCVUKRWSA-N 2 0 345.462 2.417 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001322565963 1333284341 /nfs/dbraw/zinc/28/43/41/1333284341.db2.gz JYBHLBXYFIBELK-HOTGVXAUSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)=CC[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001322605167 1333291838 /nfs/dbraw/zinc/29/18/38/1333291838.db2.gz OMMXKDBVLXZQMI-UHFFFAOYSA-N 2 0 327.432 2.285 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1)[NH+](C)C ZINC001323540944 1333484926 /nfs/dbraw/zinc/48/49/26/1333484926.db2.gz GWIFZSFIJVJCQS-RYUDHWBXSA-N 2 0 336.307 2.149 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001324081698 1333604417 /nfs/dbraw/zinc/60/44/17/1333604417.db2.gz PFLYWPKXLVOIAO-UONOGXRCSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001324092080 1333607496 /nfs/dbraw/zinc/60/74/96/1333607496.db2.gz XZWFPUBHKQUDOG-PBHICJAKSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001324097764 1333608643 /nfs/dbraw/zinc/60/86/43/1333608643.db2.gz MXVFKVZQXCEAGE-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325416018 1333882282 /nfs/dbraw/zinc/88/22/82/1333882282.db2.gz KMBGTAQUSGUHQY-GJZGRUSLSA-N 2 0 344.459 2.430 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001326429682 1334092457 /nfs/dbraw/zinc/09/24/57/1334092457.db2.gz GVXMQXRWKBIVSS-JKSUJKDBSA-N 2 0 348.491 2.078 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001326760277 1334156016 /nfs/dbraw/zinc/15/60/16/1334156016.db2.gz NEFLJDFHFUHTPO-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1c(C(=O)NCC2([NH2+]CCC[C@@H](C)O)CCC2)ccc2c[nH+]cn21 ZINC001326844293 1334168907 /nfs/dbraw/zinc/16/89/07/1334168907.db2.gz DIVDHRAXGLTFIG-CQSZACIVSA-N 2 0 344.459 2.046 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001328662809 1334495456 /nfs/dbraw/zinc/49/54/56/1334495456.db2.gz ZKWNECMROURGRN-INIZCTEOSA-N 2 0 347.528 2.357 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](CCCOCC)CC1(C)C ZINC001330201700 1334801795 /nfs/dbraw/zinc/80/17/95/1334801795.db2.gz FSOOETILOQRJHF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001330823550 1334909815 /nfs/dbraw/zinc/90/98/15/1334909815.db2.gz WTFQBYUSKDTEHH-FRQCXROJSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001330953075 1334934162 /nfs/dbraw/zinc/93/41/62/1334934162.db2.gz BTAJDKDBDUKKSS-CJNGLKHVSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001331543517 1335034193 /nfs/dbraw/zinc/03/41/93/1335034193.db2.gz LEBJFLSCNQYAAC-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)s1 ZINC001331928439 1335678324 /nfs/dbraw/zinc/67/83/24/1335678324.db2.gz MEUXKPHESMIOAU-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCCc2ccsc2)C(C)(C)C1 ZINC001332413509 1335820090 /nfs/dbraw/zinc/82/00/90/1335820090.db2.gz OLYVSILNTAGOJE-INIZCTEOSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001332538982 1335844617 /nfs/dbraw/zinc/84/46/17/1335844617.db2.gz SGHHMKGMXMHXAC-UHFFFAOYSA-N 2 0 346.519 2.146 10 0 EEAERP Cc1ncoc1CN1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001333458091 1336051477 /nfs/dbraw/zinc/05/14/77/1336051477.db2.gz NLHZIHLFXIDQIM-UHFFFAOYSA-N 2 0 346.475 2.107 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccc(F)c1 ZINC001479846056 1337448434 /nfs/dbraw/zinc/44/84/34/1337448434.db2.gz VMILBJHDKXAETG-CRAIPNDOSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1c(N)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1F ZINC001615788662 1352325397 /nfs/dbraw/zinc/32/53/97/1352325397.db2.gz UYOJIHIAERRDGU-UHFFFAOYSA-N 2 0 338.471 2.062 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC001433422259 1341592675 /nfs/dbraw/zinc/59/26/75/1341592675.db2.gz SDLPUBNGLSISMB-CVEARBPZSA-N 2 0 343.462 2.439 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001433674034 1341655545 /nfs/dbraw/zinc/65/55/45/1341655545.db2.gz QILHPDGXWUKDKU-SJLPKXTDSA-N 2 0 332.492 2.092 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCCc2ccccc2)C1 ZINC001436322242 1342026946 /nfs/dbraw/zinc/02/69/46/1342026946.db2.gz NDDWBOZXNPOFLF-ICSRJNTNSA-N 2 0 343.515 2.494 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001436384620 1342063890 /nfs/dbraw/zinc/06/38/90/1342063890.db2.gz YKRBLKUFQPIPFP-LUKYLMHMSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001500279027 1342129681 /nfs/dbraw/zinc/12/96/81/1342129681.db2.gz AOIOMHWUBRNDFR-QGZVFWFLSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502546240 1342208463 /nfs/dbraw/zinc/20/84/63/1342208463.db2.gz QEAINIVFOKGDHI-AEFFLSMTSA-N 2 0 339.499 2.391 10 0 EEAERP CCCCOCC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001673992913 1356768292 /nfs/dbraw/zinc/76/82/92/1356768292.db2.gz CVDWDWHLSPKVRO-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001566609136 1342578888 /nfs/dbraw/zinc/57/88/88/1342578888.db2.gz PHLAFAKYYDTSOB-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCF)C1 ZINC001566823400 1342635611 /nfs/dbraw/zinc/63/56/11/1342635611.db2.gz RLRXUZNXNUUHEH-XYTVBORESA-N 2 0 325.472 2.190 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001567138661 1342700576 /nfs/dbraw/zinc/70/05/76/1342700576.db2.gz LPWVIRWBCLNLRA-SMTIMMHKSA-N 2 0 329.488 2.480 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC001567504734 1342774572 /nfs/dbraw/zinc/77/45/72/1342774572.db2.gz VHILTJRQBYGUPI-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001570626861 1343093558 /nfs/dbraw/zinc/09/35/58/1343093558.db2.gz HUXRZGWCUPHSPD-CHWSQXEVSA-N 2 0 338.883 2.060 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001570666214 1343099146 /nfs/dbraw/zinc/09/91/46/1343099146.db2.gz SQVXZFUBUVGOSI-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001571321863 1343179399 /nfs/dbraw/zinc/17/93/99/1343179399.db2.gz CSCHBMOIJZJNRS-OAHLLOKOSA-N 2 0 333.451 2.296 10 0 EEAERP CC(C)OCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001571692802 1343275147 /nfs/dbraw/zinc/27/51/47/1343275147.db2.gz FHHMIZQKJFIEDM-SFHVURJKSA-N 2 0 337.508 2.034 10 0 EEAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001571697945 1343278698 /nfs/dbraw/zinc/27/86/98/1343278698.db2.gz SAGWTGNUMFZEJT-PLNGDYQASA-N 2 0 349.519 2.202 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC001647003474 1353099875 /nfs/dbraw/zinc/09/98/75/1353099875.db2.gz BAXDYUAVIMGAQF-FHWLQOOXSA-N 2 0 327.472 2.352 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])nc2)CC1 ZINC001647247054 1353206123 /nfs/dbraw/zinc/20/61/23/1353206123.db2.gz AAGDSOWXJCCVBX-IRXDYDNUSA-N 2 0 345.491 2.068 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001647453320 1353283086 /nfs/dbraw/zinc/28/30/86/1353283086.db2.gz UKTQAFQGTQEWIR-GJZGRUSLSA-N 2 0 337.430 2.056 10 0 EEAERP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001649710983 1353568436 /nfs/dbraw/zinc/56/84/36/1353568436.db2.gz MPJUETJEZBVRJX-CVEARBPZSA-N 2 0 328.420 2.262 10 0 EEAERP CC[N@@H+](C/C=C\Cl)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001660557396 1354488804 /nfs/dbraw/zinc/48/88/04/1354488804.db2.gz HSLUDCHAUFGEDT-BAQGIRSFSA-N 2 0 347.850 2.462 10 0 EEAERP CCCCOCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001660794589 1354539996 /nfs/dbraw/zinc/53/99/96/1354539996.db2.gz RKTYKUYZQIVETF-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001661027830 1354576108 /nfs/dbraw/zinc/57/61/08/1354576108.db2.gz CROBYANRQNPMMM-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001661885647 1354718489 /nfs/dbraw/zinc/71/84/89/1354718489.db2.gz LPSIJQZENAMGIH-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]CCOCC2CCC2)ccc2c[nH+]cn21 ZINC001662269146 1354772599 /nfs/dbraw/zinc/77/25/99/1354772599.db2.gz XXEBWWDYLDHMHW-CQSZACIVSA-N 2 0 344.459 2.167 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC001662655306 1354820372 /nfs/dbraw/zinc/82/03/72/1354820372.db2.gz QGSQZVLVXISKMY-LJQANCHMSA-N 2 0 341.499 2.296 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662785863 1354846794 /nfs/dbraw/zinc/84/67/94/1354846794.db2.gz RWRKEVXMKCODJL-ZWKOTPCHSA-N 2 0 333.476 2.025 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001662934454 1354877871 /nfs/dbraw/zinc/87/78/71/1354877871.db2.gz GAXRGXHPQKGKKO-CJNGLKHVSA-N 2 0 340.899 2.306 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001664677847 1355208307 /nfs/dbraw/zinc/20/83/07/1355208307.db2.gz IUBDVUUQFJNZPD-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001667306313 1355704574 /nfs/dbraw/zinc/70/45/74/1355704574.db2.gz CLQDIKWHQZQFHP-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001667354007 1355719249 /nfs/dbraw/zinc/71/92/49/1355719249.db2.gz ZJMQIMLYXWSIPP-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001667414086 1355736847 /nfs/dbraw/zinc/73/68/47/1355736847.db2.gz WMSZMANOALLKPP-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001668234887 1355905456 /nfs/dbraw/zinc/90/54/56/1355905456.db2.gz SDEOUTQYEBDAQW-CYBMUJFWSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1)[NH+]1CCCCCC1 ZINC001668235188 1355906177 /nfs/dbraw/zinc/90/61/77/1355906177.db2.gz ZRXAPOAVXNMGNP-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001668319780 1355922672 /nfs/dbraw/zinc/92/26/72/1355922672.db2.gz KPJNQCVZFODECQ-CYBMUJFWSA-N 2 0 327.419 2.289 10 0 EEAERP CCN(CC[NH2+]CC1CCCC1)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001668435448 1355940073 /nfs/dbraw/zinc/94/00/73/1355940073.db2.gz GDWVHYFDTDJACY-SFHVURJKSA-N 2 0 347.507 2.418 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668641779 1355978101 /nfs/dbraw/zinc/97/81/01/1355978101.db2.gz UHZVSCWWFALNDZ-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828501 1356014542 /nfs/dbraw/zinc/01/45/42/1356014542.db2.gz PYBHGBPVTJVDCQ-VZSQWMKGSA-N 2 0 327.472 2.099 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668887468 1356036200 /nfs/dbraw/zinc/03/62/00/1356036200.db2.gz LLABOIGVNVAPKR-BDUNBXCCSA-N 2 0 349.450 2.081 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1csc(Cl)n1 ZINC001670357468 1356326476 /nfs/dbraw/zinc/32/64/76/1356326476.db2.gz GWOATVDRYTXCCL-UHFFFAOYSA-N 2 0 332.901 2.075 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ncc(C)s1 ZINC001670357990 1356326714 /nfs/dbraw/zinc/32/67/14/1356326714.db2.gz YJSKMFUZHHASQJ-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ncc(C)s2)C1)[NH+](C)C ZINC001672815392 1356590321 /nfs/dbraw/zinc/59/03/21/1356590321.db2.gz GDLHMMAVAWGQPL-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC001672816531 1356591885 /nfs/dbraw/zinc/59/18/85/1356591885.db2.gz RDEMWYMTLVVRIA-DOTOQJQBSA-N 2 0 348.491 2.050 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001672818975 1356592320 /nfs/dbraw/zinc/59/23/20/1356592320.db2.gz AYXQFZBBCSTWFN-HOCLYGCPSA-N 2 0 344.459 2.119 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001674146351 1356798045 /nfs/dbraw/zinc/79/80/45/1356798045.db2.gz DDWQROPNKOMHIU-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCCF)CC[N@@H+]1C ZINC001674420319 1356829894 /nfs/dbraw/zinc/82/98/94/1356829894.db2.gz YXNKGOOPLCQGST-WJFTUGDTSA-N 2 0 347.478 2.448 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001674720816 1356883149 /nfs/dbraw/zinc/88/31/49/1356883149.db2.gz CWIGJKARADVTBR-QWHCGFSZSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncn1C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001675899985 1357065636 /nfs/dbraw/zinc/06/56/36/1357065636.db2.gz ZNTSMQVONVNGEB-MRXNPFEDSA-N 2 0 349.523 2.059 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C/c1ccccc1 ZINC001698748121 1405041916 /nfs/dbraw/zinc/04/19/16/1405041916.db2.gz KEGTYPUOIZXGCM-AOYZLZMISA-N 2 0 329.488 2.382 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cs1 ZINC001698917308 1405159915 /nfs/dbraw/zinc/15/99/15/1405159915.db2.gz IPEMPZXIDLGXJB-INIZCTEOSA-N 2 0 338.521 2.264 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CCF)CC1 ZINC001698948900 1405178768 /nfs/dbraw/zinc/17/87/68/1405178768.db2.gz XEUPKZPRSBTXSP-RDJZCZTQSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001699099305 1405253280 /nfs/dbraw/zinc/25/32/80/1405253280.db2.gz KCWZMEFIJPBNDG-FUHWJXTLSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699409529 1405349727 /nfs/dbraw/zinc/34/97/27/1405349727.db2.gz PRXPPWGBYFUHDO-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699538505 1405376795 /nfs/dbraw/zinc/37/67/95/1405376795.db2.gz LBIIWSLZBPMJQL-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CN(CCC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699537852 1405377731 /nfs/dbraw/zinc/37/77/31/1405377731.db2.gz FTHNBNRZZOYLFV-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699551862 1405387529 /nfs/dbraw/zinc/38/75/29/1405387529.db2.gz WFIFBTBJMYPWQO-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000921355729 773302965 /nfs/dbraw/zinc/30/29/65/773302965.db2.gz SJHHJRBMXFGNBG-OGWHTMIXSA-N 2 0 344.503 2.431 10 0 EEAERP CN(C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000846674224 790366694 /nfs/dbraw/zinc/36/66/94/790366694.db2.gz VGWZUSMNJGEXHM-QZTJIDSGSA-N 2 0 331.460 2.120 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000925876259 779817529 /nfs/dbraw/zinc/81/75/29/779817529.db2.gz SAEFUOWSWJKIDK-LOWVWBTDSA-N 2 0 332.416 2.461 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000821438395 786753390 /nfs/dbraw/zinc/75/33/90/786753390.db2.gz DVXQIKFGSMEZEV-AWEZNQCLSA-N 2 0 338.500 2.032 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000913097542 788626162 /nfs/dbraw/zinc/62/61/62/788626162.db2.gz NVWYMPYZRXXSFL-NEWSRXKRSA-N 2 0 329.488 2.355 10 0 EEAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170579 788883797 /nfs/dbraw/zinc/88/37/97/788883797.db2.gz KCVRLSBGOKPUHS-FGTMMUONSA-N 2 0 337.508 2.044 10 0 EEAERP C[C@@](C[NH3+])([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000923295889 789328096 /nfs/dbraw/zinc/32/80/96/789328096.db2.gz JRFLITNWDGQJRJ-NHYWBVRUSA-N 2 0 333.259 2.450 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cccnc1C(F)(F)F)CC2 ZINC000923447205 789559235 /nfs/dbraw/zinc/55/92/35/789559235.db2.gz QJFTUBXAVIOMES-CYBMUJFWSA-N 2 0 329.366 2.430 10 0 EEAERP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923495925 789653484 /nfs/dbraw/zinc/65/34/84/789653484.db2.gz GEMRASWBQFXBEP-VQIMIIECSA-N 2 0 347.503 2.145 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923500933 789684647 /nfs/dbraw/zinc/68/46/47/789684647.db2.gz SBOMFEMPERLZED-PMPSAXMXSA-N 2 0 346.475 2.257 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC000923511143 789697703 /nfs/dbraw/zinc/69/77/03/789697703.db2.gz ZPIILDSLYSICLC-YLJYHZDGSA-N 2 0 343.515 2.384 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923503441 789699972 /nfs/dbraw/zinc/69/99/72/789699972.db2.gz IFGBMIRVVAKFPG-VXGBXAGGSA-N 2 0 327.375 2.143 10 0 EEAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000913634356 794004217 /nfs/dbraw/zinc/00/42/17/794004217.db2.gz MQDLGAKZIOYURV-MRXNPFEDSA-N 2 0 349.425 2.108 10 0 EEAERP CC[C@@](O)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000929764021 794410769 /nfs/dbraw/zinc/41/07/69/794410769.db2.gz ZWONVWOYEZWZFI-OAHLLOKOSA-N 2 0 338.414 2.267 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716679664 796406033 /nfs/dbraw/zinc/40/60/33/796406033.db2.gz FLLMARVIFPGOSC-ZCNNSNEGSA-N 3 0 343.515 2.086 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001566002213 1125496140 /nfs/dbraw/zinc/49/61/40/1125496140.db2.gz UKNJWNXRWZAONN-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001566029396 1125504505 /nfs/dbraw/zinc/50/45/05/1125504505.db2.gz ZLKMAYPEXVYVDK-KSZLIROESA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001566508878 1125679163 /nfs/dbraw/zinc/67/91/63/1125679163.db2.gz SZFVPNAHUPAGGB-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001436412712 1087765627 /nfs/dbraw/zinc/76/56/27/1087765627.db2.gz DKOWZLNDNARMII-DZGCQCFKSA-N 2 0 339.430 2.291 10 0 EEAERP CCc1ccc(CC[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001436771616 1088313907 /nfs/dbraw/zinc/31/39/07/1088313907.db2.gz BGCNRYRMASPGHQ-UXHICEINSA-N 2 0 343.515 2.370 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001436787342 1088343485 /nfs/dbraw/zinc/34/34/85/1088343485.db2.gz JKARVBVJMOMZJK-SLFFLAALSA-N 2 0 343.515 2.444 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001436824324 1088426111 /nfs/dbraw/zinc/42/61/11/1088426111.db2.gz CSUOGEMIIMEMFO-TZMCWYRMSA-N 2 0 341.908 2.338 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001437061263 1088966964 /nfs/dbraw/zinc/96/69/64/1088966964.db2.gz DEQUHVTXZXDRDV-ZBFHGGJFSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001437127260 1089112266 /nfs/dbraw/zinc/11/22/66/1089112266.db2.gz FEDYIAMFJBOKBX-YOEHRIQHSA-N 2 0 333.451 2.070 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437263593 1089411029 /nfs/dbraw/zinc/41/10/29/1089411029.db2.gz SKAJVADXHYTKBD-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[N@H+](CCC(F)(F)F)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001437341014 1089537672 /nfs/dbraw/zinc/53/76/72/1089537672.db2.gz STNLBHJGOINQEX-GJZGRUSLSA-N 2 0 347.425 2.203 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+](C)CC[C@H]2CCCCO2)c1 ZINC001437567075 1090047001 /nfs/dbraw/zinc/04/70/01/1090047001.db2.gz WJSDMRYIFCUXQF-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP C[C@H]([NH2+]CCC(F)(F)F)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001437842609 1090427026 /nfs/dbraw/zinc/42/70/26/1090427026.db2.gz OFYCGPURYRVLHV-GZBFAFLISA-N 2 0 349.441 2.496 10 0 EEAERP CO[C@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001437883033 1090458326 /nfs/dbraw/zinc/45/83/26/1090458326.db2.gz UVHLRFKQSNLZEG-SJLPKXTDSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001437949405 1090544871 /nfs/dbraw/zinc/54/48/71/1090544871.db2.gz RHYRFUUVXKBJBB-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCCF)C1)[NH+]1CCCC1 ZINC001437962239 1090558191 /nfs/dbraw/zinc/55/81/91/1090558191.db2.gz UNZYFCWSPFLCFK-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)ns1 ZINC001438310214 1090787816 /nfs/dbraw/zinc/78/78/16/1090787816.db2.gz JMHZLTWBIYXVDZ-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001438331202 1090805834 /nfs/dbraw/zinc/80/58/34/1090805834.db2.gz ONISPQYZYZNUAT-DZGCQCFKSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001438372463 1090851123 /nfs/dbraw/zinc/85/11/23/1090851123.db2.gz GODOVYURRATQGK-MAUKXSAKSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001438427240 1090924398 /nfs/dbraw/zinc/92/43/98/1090924398.db2.gz UNCNPFFBAADSRG-HXUWFJFHSA-N 2 0 341.499 2.465 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438502250 1090996590 /nfs/dbraw/zinc/99/65/90/1090996590.db2.gz IUYQTNCXTRGELX-RDJZCZTQSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(F)c1F ZINC001438550395 1091042246 /nfs/dbraw/zinc/04/22/46/1091042246.db2.gz XZZNRPPJNRVMSQ-UONOGXRCSA-N 2 0 339.430 2.149 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445393232 1091138080 /nfs/dbraw/zinc/13/80/80/1091138080.db2.gz FQDDUKZDOFZXMT-CABCVRRESA-N 2 0 343.462 2.392 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001438706943 1091218970 /nfs/dbraw/zinc/21/89/70/1091218970.db2.gz FCSBYONZDCEVEW-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cncs2)C1 ZINC001438775286 1091365716 /nfs/dbraw/zinc/36/57/16/1091365716.db2.gz UYBUZNLBBNHRLL-LSDHHAIUSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H](CN(C)Cc1cnn(C(C)(C)C)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445773297 1091635852 /nfs/dbraw/zinc/63/58/52/1091635852.db2.gz UDVHZRWWOKVEBK-DOTOQJQBSA-N 2 0 349.523 2.059 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1c(F)cccc1Cl)[NH+](C)C ZINC001439133891 1091778810 /nfs/dbraw/zinc/77/88/10/1091778810.db2.gz WRPLBCVIXZZTMA-IAQYHMDHSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1OC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001439147359 1091790260 /nfs/dbraw/zinc/79/02/60/1091790260.db2.gz IFGGEOOSADQEAK-OAHLLOKOSA-N 2 0 345.487 2.164 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)sc1C ZINC001439215739 1091858783 /nfs/dbraw/zinc/85/87/83/1091858783.db2.gz SYJPYHZTAIECAH-LRDDRELGSA-N 2 0 338.521 2.229 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001439268207 1091924086 /nfs/dbraw/zinc/92/40/86/1091924086.db2.gz ADFLPMZIEGBKJS-MAUKXSAKSA-N 2 0 344.459 2.270 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325579 1092003360 /nfs/dbraw/zinc/00/33/60/1092003360.db2.gz KMVIWYSMWPNZPN-DNVCBOLYSA-N 2 0 347.478 2.412 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439328317 1092009769 /nfs/dbraw/zinc/00/97/69/1092009769.db2.gz RVZIVUIKAOZUJB-YXJHDRRASA-N 2 0 349.523 2.049 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CCc1cccs1 ZINC001446061140 1092074776 /nfs/dbraw/zinc/07/47/76/1092074776.db2.gz WWWKDXNRDCJKEL-JKSUJKDBSA-N 2 0 335.517 2.356 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCc1cccs1 ZINC001446061123 1092075295 /nfs/dbraw/zinc/07/52/95/1092075295.db2.gz WWWKDXNRDCJKEL-HOTGVXAUSA-N 2 0 335.517 2.356 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1ccc(F)cc1 ZINC001439490585 1092310695 /nfs/dbraw/zinc/31/06/95/1092310695.db2.gz DMRHMHYNBRITHE-RDTXWAMCSA-N 2 0 333.451 2.467 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001439500444 1092335190 /nfs/dbraw/zinc/33/51/90/1092335190.db2.gz VKIRJXDOWJFFJP-GOSISDBHSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@]3(CCN(C(=O)C[N@@H+](C)C(C)C)C3)C2)o1 ZINC001446326811 1092524065 /nfs/dbraw/zinc/52/40/65/1092524065.db2.gz GHIUQSYYYLXMNU-LJQANCHMSA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001439880391 1092929153 /nfs/dbraw/zinc/92/91/53/1092929153.db2.gz BDYICXTTZYTAHO-ZBFHGGJFSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C)nc2C)CCC1 ZINC001440352549 1093507602 /nfs/dbraw/zinc/50/76/02/1093507602.db2.gz AMOMLQPKEZFIRT-UHFFFAOYSA-N 2 0 332.492 2.169 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001440363103 1093526532 /nfs/dbraw/zinc/52/65/32/1093526532.db2.gz ZNMWBAHQFZRHIW-HOTGVXAUSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc3ccccc3o2)C1)[NH+](C)C ZINC001448528391 1093561599 /nfs/dbraw/zinc/56/15/99/1093561599.db2.gz IKNBCNMCRXMQBQ-DZKIICNBSA-N 2 0 344.459 2.152 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc2cnoc2C)C2CC2)CC[N@@H+]1C ZINC001448584274 1093639564 /nfs/dbraw/zinc/63/95/64/1093639564.db2.gz PTESLQQUVPWUBQ-KSZLIROESA-N 2 0 348.491 2.040 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001448600393 1093662633 /nfs/dbraw/zinc/66/26/33/1093662633.db2.gz DTIZIZLWQRDSRS-LPHOPBHVSA-N 2 0 347.478 2.494 10 0 EEAERP CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)O2 ZINC001440491892 1093729039 /nfs/dbraw/zinc/72/90/39/1093729039.db2.gz BWTGVALMYUMWPZ-MRXNPFEDSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001448663769 1093731325 /nfs/dbraw/zinc/73/13/25/1093731325.db2.gz ZUFAIELWJKTSPT-PBHICJAKSA-N 2 0 335.517 2.069 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001448730807 1093800741 /nfs/dbraw/zinc/80/07/41/1093800741.db2.gz VJADYJNAGNKQFH-MSOLQXFVSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001448732543 1093803750 /nfs/dbraw/zinc/80/37/50/1093803750.db2.gz YAPDSYNLSXRERQ-NEPJUHHUSA-N 2 0 344.912 2.075 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001448780341 1093860636 /nfs/dbraw/zinc/86/06/36/1093860636.db2.gz YORPIPOHJRYEPA-RDJZCZTQSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001448792454 1093870444 /nfs/dbraw/zinc/87/04/44/1093870444.db2.gz VCVSPGJHRIQSTP-RDTXWAMCSA-N 2 0 333.451 2.345 10 0 EEAERP CC[N@H+](CCF)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001440708360 1093957218 /nfs/dbraw/zinc/95/72/18/1093957218.db2.gz XULKNNYNYVLNBE-IYBDPMFKSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cn2)[C@H]1C ZINC001449024789 1094032031 /nfs/dbraw/zinc/03/20/31/1094032031.db2.gz FXSYQYUILSUUSN-WMLDXEAASA-N 2 0 336.455 2.030 10 0 EEAERP CCC[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1 ZINC001449028273 1094035769 /nfs/dbraw/zinc/03/57/69/1094035769.db2.gz KBGCGIYQEMBRLX-GOSISDBHSA-N 2 0 329.488 2.199 10 0 EEAERP C[C@@H]([NH2+]Cc1sccc1Cl)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440828726 1094081150 /nfs/dbraw/zinc/08/11/50/1094081150.db2.gz CNPLEJRSSILFHU-NEPJUHHUSA-N 2 0 341.908 2.480 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)s1 ZINC001440838682 1094092191 /nfs/dbraw/zinc/09/21/91/1094092191.db2.gz OFCMJBVADCDNAT-NWDGAFQWSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001440923026 1094176836 /nfs/dbraw/zinc/17/68/36/1094176836.db2.gz HWFLGLHRYUVVGS-YJBOKZPZSA-N 2 0 347.478 2.412 10 0 EEAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CCn2cncc2C1 ZINC001449255313 1094203949 /nfs/dbraw/zinc/20/39/49/1094203949.db2.gz XDSHKKQTOHXLNB-QGZVFWFLSA-N 2 0 332.492 2.414 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440997030 1094266481 /nfs/dbraw/zinc/26/64/81/1094266481.db2.gz HBXYXMOCQAXGPW-CVEARBPZSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441127881 1094452440 /nfs/dbraw/zinc/45/24/40/1094452440.db2.gz HJXNRAWBHPNWAZ-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC001441201189 1094561641 /nfs/dbraw/zinc/56/16/41/1094561641.db2.gz LRBFXGCJGQPLRU-RTBURBONSA-N 2 0 344.503 2.249 10 0 EEAERP CO[C@H](C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001441207578 1094569996 /nfs/dbraw/zinc/56/99/96/1094569996.db2.gz LNXMHHMFCNDIGM-QFBILLFUSA-N 2 0 347.503 2.151 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)[NH+](C)C ZINC001441506465 1095192987 /nfs/dbraw/zinc/19/29/87/1095192987.db2.gz HPGHJRIOKVYXHJ-OBQMCUGOSA-N 2 0 333.451 2.390 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001441649937 1095602531 /nfs/dbraw/zinc/60/25/31/1095602531.db2.gz BZEPOPQEJOGEFK-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1Cl ZINC001441658216 1095624820 /nfs/dbraw/zinc/62/48/20/1095624820.db2.gz NJNKSAFYRONVSX-GOEBONIOSA-N 2 0 337.895 2.271 10 0 EEAERP Cc1cccnc1C[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001441665843 1095635501 /nfs/dbraw/zinc/63/55/01/1095635501.db2.gz YMMQJBBVEZQTAG-QZTJIDSGSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@@H]1C ZINC001441822761 1095862897 /nfs/dbraw/zinc/86/28/97/1095862897.db2.gz JBYBUOZPYXIOLK-LSDHHAIUSA-N 2 0 344.459 2.249 10 0 EEAERP 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1097411981 /nfs/dbraw/zinc/41/19/81/1097411981.db2.gz GCEIYDQOFJLBDQ-LJQANCHMSA-N 2 0 345.462 2.248 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](C[C@@H]1CCCCO1)C1CC1 ZINC001443010081 1097425637 /nfs/dbraw/zinc/42/56/37/1097425637.db2.gz UQDVZEXKRYFKRX-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(Cc1cn2c(n1)CCCC2)NCC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001443253855 1097729693 /nfs/dbraw/zinc/72/96/93/1097729693.db2.gz MTDPTNOSUOKJLL-QGZVFWFLSA-N 2 0 344.503 2.390 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001443257406 1097734100 /nfs/dbraw/zinc/73/41/00/1097734100.db2.gz DTNFFBKYUWTUBK-MOPGFXCFSA-N 2 0 329.488 2.357 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001443636225 1098131238 /nfs/dbraw/zinc/13/12/38/1098131238.db2.gz QGQLBMJKNUTNBV-HNNXBMFYSA-N 2 0 333.476 2.146 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479495870 1098565322 /nfs/dbraw/zinc/56/53/22/1098565322.db2.gz RSMYCVUJSLUIEH-JKSUJKDBSA-N 2 0 348.491 2.016 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ncccc1C ZINC001444047625 1098571302 /nfs/dbraw/zinc/57/13/02/1098571302.db2.gz WQKAQIQJONRLIS-WMZOPIPTSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1cc(C[NH2+]C[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)on1 ZINC001444126629 1098661623 /nfs/dbraw/zinc/66/16/23/1098661623.db2.gz IJRMJZNSLREXRD-YZVOILCLSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccns1)NC(=O)CC[NH+](C)C ZINC001444149180 1098690465 /nfs/dbraw/zinc/69/04/65/1098690465.db2.gz ASYBSOOYQQCZBI-YOEHRIQHSA-N 2 0 338.521 2.250 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479687281 1098747899 /nfs/dbraw/zinc/74/78/99/1098747899.db2.gz DBKMCDDTAQMFGU-KZNAEPCWSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]C[C@@H]1CCOC1 ZINC001444344496 1098908780 /nfs/dbraw/zinc/90/87/80/1098908780.db2.gz GDKAGPNGKPQCIO-HOTGVXAUSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001444394990 1098990403 /nfs/dbraw/zinc/99/04/03/1098990403.db2.gz ZVFDZCPMEODLOZ-UONOGXRCSA-N 2 0 332.448 2.182 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)CCO1)[NH+](CC)CC ZINC001444439942 1099072641 /nfs/dbraw/zinc/07/26/41/1099072641.db2.gz DMIHYWQSKDFBDQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1conc1C ZINC001479856652 1099158534 /nfs/dbraw/zinc/15/85/34/1099158534.db2.gz XRSAQYAXZYOKCP-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1)OC ZINC001444514088 1099257680 /nfs/dbraw/zinc/25/76/80/1099257680.db2.gz WGUGATOGAMNCJX-YESZJQIVSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nccs1 ZINC001444632363 1099458485 /nfs/dbraw/zinc/45/84/85/1099458485.db2.gz FIJFJSFRIDWHEX-CABCVRRESA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001444644013 1099473465 /nfs/dbraw/zinc/47/34/65/1099473465.db2.gz AEEIKELBIMLNBO-GUYCJALGSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001480020409 1099498516 /nfs/dbraw/zinc/49/85/16/1099498516.db2.gz HRRFOIFFRMNLNR-WOJBJXKFSA-N 2 0 341.499 2.321 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001480019870 1099498940 /nfs/dbraw/zinc/49/89/40/1099498940.db2.gz BGPBIXVDQAVXBP-RTBURBONSA-N 2 0 345.531 2.393 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001480045112 1099548508 /nfs/dbraw/zinc/54/85/08/1099548508.db2.gz UWVYTNXDZJRTHB-MSOLQXFVSA-N 2 0 333.451 2.249 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cscn2)C1 ZINC001444813856 1099740240 /nfs/dbraw/zinc/74/02/40/1099740240.db2.gz JGKCFZQQSUUPDS-GJZGRUSLSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]Cc1ccccn1 ZINC001480461977 1100266194 /nfs/dbraw/zinc/26/61/94/1100266194.db2.gz QANQHCNRFFZFMK-SJORKVTESA-N 2 0 344.503 2.331 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]Cc1ccccn1 ZINC001480461974 1100266351 /nfs/dbraw/zinc/26/63/51/1100266351.db2.gz QANQHCNRFFZFMK-DLBZAZTESA-N 2 0 344.503 2.331 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1C ZINC001480464178 1100269835 /nfs/dbraw/zinc/26/98/35/1100269835.db2.gz PFVOBCHJYFEPDP-ZYSHUDEJSA-N 2 0 346.519 2.077 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccn(CC)n2)C[C@H]1C ZINC001446417166 1100828002 /nfs/dbraw/zinc/82/80/02/1100828002.db2.gz JSUCKLFNEFHDLN-IAGOWNOFSA-N 2 0 349.523 2.104 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@H]1CCCOC1)C1CCCCC1 ZINC001496321201 1100914436 /nfs/dbraw/zinc/91/44/36/1100914436.db2.gz UEBXJPYWBNOFKF-AEFFLSMTSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001496324824 1100920356 /nfs/dbraw/zinc/92/03/56/1100920356.db2.gz FRKZOSPLWZQGLP-AEFFLSMTSA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001446597497 1101090577 /nfs/dbraw/zinc/09/05/77/1101090577.db2.gz IKZHONMSXFRAQP-UZLBHIALSA-N 2 0 347.478 2.496 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CCC(F)(F)F)C2)CC1 ZINC001495380093 1101100198 /nfs/dbraw/zinc/10/01/98/1101100198.db2.gz PEOWVRHURIJBAM-CQSZACIVSA-N 2 0 349.441 2.499 10 0 EEAERP C[N@H+](CCF)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001496504861 1101102107 /nfs/dbraw/zinc/10/21/07/1101102107.db2.gz KZONPLJEUFFHTC-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001495481200 1101190889 /nfs/dbraw/zinc/19/08/89/1101190889.db2.gz GJPISVZOMVJXHU-ULQDDVLXSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001495582838 1101288753 /nfs/dbraw/zinc/28/87/53/1101288753.db2.gz CZQBQDNZVVVDKB-LJQANCHMSA-N 2 0 347.503 2.367 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1OC1CC1 ZINC001495660036 1101398644 /nfs/dbraw/zinc/39/86/44/1101398644.db2.gz MQEQCPAFPPRTSQ-YJBOKZPZSA-N 2 0 345.487 2.164 10 0 EEAERP COCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001496888190 1101670462 /nfs/dbraw/zinc/67/04/62/1101670462.db2.gz CYJIGMWQQQCEIB-RDJZCZTQSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ncccc1C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001447041835 1101833643 /nfs/dbraw/zinc/83/36/43/1101833643.db2.gz IKMZHOYVDPLICT-RBUKOAKNSA-N 2 0 344.503 2.153 10 0 EEAERP Cc1nocc1C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001495963268 1101839706 /nfs/dbraw/zinc/83/97/06/1101839706.db2.gz HCVXTMZDGDTDCF-GJZGRUSLSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001496111839 1102083975 /nfs/dbraw/zinc/08/39/75/1102083975.db2.gz QOPIPZRUTGSNQX-KGLIPLIRSA-N 2 0 333.411 2.066 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001496133403 1102120358 /nfs/dbraw/zinc/12/03/58/1102120358.db2.gz WWQQWDLHCOXNIF-HZPDHXFCSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001497242082 1102182549 /nfs/dbraw/zinc/18/25/49/1102182549.db2.gz UNNYVYLKFAWZCG-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497256828 1102204999 /nfs/dbraw/zinc/20/49/99/1102204999.db2.gz QGKBYGLMYLZURQ-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CCC1 ZINC001447252987 1102304669 /nfs/dbraw/zinc/30/46/69/1102304669.db2.gz YFGVSAYXDSIDQL-AWEZNQCLSA-N 2 0 331.451 2.392 10 0 EEAERP Cc1ncc(C[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)s1 ZINC001447355046 1102513299 /nfs/dbraw/zinc/51/32/99/1102513299.db2.gz NDKFAECLAHZXIA-AWEZNQCLSA-N 2 0 338.521 2.074 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1cnc(C)cn1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497500561 1102587893 /nfs/dbraw/zinc/58/78/93/1102587893.db2.gz IOSSHFUYLULUIX-FUHWJXTLSA-N 2 0 347.507 2.159 10 0 EEAERP Cc1nc(CNC/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)o1 ZINC001497681357 1102892983 /nfs/dbraw/zinc/89/29/83/1102892983.db2.gz QPSRCYZACXUZDG-FPLPWBNLSA-N 2 0 336.480 2.031 10 0 EEAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497852623 1103196257 /nfs/dbraw/zinc/19/62/57/1103196257.db2.gz JJWWHBKUYJXLMG-OAHLLOKOSA-N 2 0 339.443 2.476 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001447818677 1103383960 /nfs/dbraw/zinc/38/39/60/1103383960.db2.gz DGZLRJKZDBGDLL-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cccnc1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001447819823 1103385401 /nfs/dbraw/zinc/38/54/01/1103385401.db2.gz ASPMZZXNAYIOIV-UHFFFAOYSA-N 2 0 344.503 2.250 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001494080727 1103490569 /nfs/dbraw/zinc/49/05/69/1103490569.db2.gz WBMGMDHPABUPFN-INIZCTEOSA-N 2 0 333.451 2.250 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001494080731 1103491218 /nfs/dbraw/zinc/49/12/18/1103491218.db2.gz WBMGMDHPABUPFN-MRXNPFEDSA-N 2 0 333.451 2.250 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCc1ccns1 ZINC001447881296 1103506910 /nfs/dbraw/zinc/50/69/10/1103506910.db2.gz HDRKQZGHFUZLQH-KBPBESRZSA-N 2 0 338.521 2.043 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001448066397 1103929520 /nfs/dbraw/zinc/92/95/20/1103929520.db2.gz NPERQZIQLWSJIF-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001448227544 1104215310 /nfs/dbraw/zinc/21/53/10/1104215310.db2.gz VKXISVAIQXQNOF-UHFFFAOYSA-N 2 0 336.480 2.152 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2cc(C)ncn2)CCCCC1 ZINC001448230707 1104219536 /nfs/dbraw/zinc/21/95/36/1104219536.db2.gz UXZUZGDOPLZDDT-UHFFFAOYSA-N 2 0 347.507 2.036 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1C ZINC001495004853 1104647689 /nfs/dbraw/zinc/64/76/89/1104647689.db2.gz HULYSDPDVYACRT-ZWKOTPCHSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccnc1 ZINC001495068780 1104708106 /nfs/dbraw/zinc/70/81/06/1104708106.db2.gz KEVVQSYIZWQULQ-ROUUACIJSA-N 2 0 332.492 2.329 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001495095008 1104733600 /nfs/dbraw/zinc/73/36/00/1104733600.db2.gz SPUXNVLKKQRTBV-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC001480658381 1106831621 /nfs/dbraw/zinc/83/16/21/1106831621.db2.gz DIFPAHOOSWMURQ-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001498048640 1106838528 /nfs/dbraw/zinc/83/85/28/1106838528.db2.gz NUWOQIIGZCVJKQ-HNAYVOBHSA-N 2 0 345.487 2.186 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)no2)C1)[NH+](CC)CC ZINC001480664256 1106842618 /nfs/dbraw/zinc/84/26/18/1106842618.db2.gz XAJLIUSRFSPYOM-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001480684308 1106878268 /nfs/dbraw/zinc/87/82/68/1106878268.db2.gz YDHMHDXYUMBQLI-SFHVURJKSA-N 2 0 344.503 2.286 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001480711161 1106933508 /nfs/dbraw/zinc/93/35/08/1106933508.db2.gz VHQGXBIUFWGBLF-HZPDHXFCSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498189610 1107053843 /nfs/dbraw/zinc/05/38/43/1107053843.db2.gz DMYWXPWDWWLPKT-JSGCOSHPSA-N 2 0 343.393 2.251 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480803094 1107144120 /nfs/dbraw/zinc/14/41/20/1107144120.db2.gz IXYKZDCZQNJMFK-OAHLLOKOSA-N 2 0 340.471 2.248 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001498380568 1107424726 /nfs/dbraw/zinc/42/47/26/1107424726.db2.gz INNNRWIOXXNHPH-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001498425556 1107498620 /nfs/dbraw/zinc/49/86/20/1107498620.db2.gz OFKJBLCOJCGWAU-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001498456879 1107565318 /nfs/dbraw/zinc/56/53/18/1107565318.db2.gz QICUMWRJJWNZCR-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c(C)o1 ZINC001498490637 1107626532 /nfs/dbraw/zinc/62/65/32/1107626532.db2.gz ORZPFUZCRALYEK-HOTGVXAUSA-N 2 0 336.480 2.008 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001498492760 1107629449 /nfs/dbraw/zinc/62/94/49/1107629449.db2.gz WBRFZIFSTXLYOG-IEBWSBKVSA-N 2 0 347.503 2.412 10 0 EEAERP O=C(NCC[N@H+](CCOC1CCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001493429248 1108142523 /nfs/dbraw/zinc/14/25/23/1108142523.db2.gz HQJUTHLCXGVZEQ-IEBWSBKVSA-N 2 0 349.519 2.153 10 0 EEAERP O=C(NCCN(Cc1cccnc1)C1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493430821 1108144726 /nfs/dbraw/zinc/14/47/26/1108144726.db2.gz VIIHOVMPNCBXOH-RBUKOAKNSA-N 2 0 342.487 2.179 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001493551738 1108302521 /nfs/dbraw/zinc/30/25/21/1108302521.db2.gz SIUVBQLHBZKRNV-UKRRQHHQSA-N 2 0 331.451 2.200 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(Cl)c1)[NH+](C)C ZINC001493764874 1108640952 /nfs/dbraw/zinc/64/09/52/1108640952.db2.gz ZDLKTNFIFKZCEQ-OAHLLOKOSA-N 2 0 341.883 2.237 10 0 EEAERP C[C@@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001493835882 1108718724 /nfs/dbraw/zinc/71/87/24/1108718724.db2.gz GIQNHOFBQHQBAV-LPRNFTRESA-N 2 0 327.900 2.297 10 0 EEAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001473702639 1110579127 /nfs/dbraw/zinc/57/91/27/1110579127.db2.gz LSVQAKHLFOJYQF-RBUKOAKNSA-N 2 0 340.508 2.005 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCCc1ccsc1)C(=O)C[NH+]1CCCC1 ZINC001479271912 1110673298 /nfs/dbraw/zinc/67/32/98/1110673298.db2.gz QQJCYRIHLPEAPI-QGZVFWFLSA-N 2 0 335.517 2.309 10 0 EEAERP CCc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)Cn2ccnc2)cc1 ZINC001479276149 1110674680 /nfs/dbraw/zinc/67/46/80/1110674680.db2.gz VAUROVOFDIDSLH-GOSISDBHSA-N 2 0 326.444 2.178 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001499535204 1112349144 /nfs/dbraw/zinc/34/91/44/1112349144.db2.gz GSDGPKMUTQDZMW-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH2+]CCF ZINC001499896763 1112532266 /nfs/dbraw/zinc/53/22/66/1112532266.db2.gz OGHFNAWPJCNLMP-WBVHZDCISA-N 2 0 325.472 2.191 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccn1)[NH+](CC)CC ZINC001499926683 1112543693 /nfs/dbraw/zinc/54/36/93/1112543693.db2.gz PYSFBIQMSPXPAW-ROUUACIJSA-N 2 0 332.492 2.283 10 0 EEAERP CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500616590 1112978686 /nfs/dbraw/zinc/97/86/86/1112978686.db2.gz FXYGAXGMMLHKDN-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CCCCOCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001501427317 1113354704 /nfs/dbraw/zinc/35/47/04/1113354704.db2.gz HEYJLDHULOCVFT-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001505434168 1113967826 /nfs/dbraw/zinc/96/78/26/1113967826.db2.gz MAKSYLYFULCXSE-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@@H](C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1)OC ZINC001505791087 1114194123 /nfs/dbraw/zinc/19/41/23/1114194123.db2.gz FDFHWFRUFRKVNU-JCYILVPMSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCOCC1 ZINC001505937452 1114289841 /nfs/dbraw/zinc/28/98/41/1114289841.db2.gz DYOFYPVLQDMQIL-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCCc1ccsc1 ZINC001506001440 1114333501 /nfs/dbraw/zinc/33/35/01/1114333501.db2.gz ASIKNQVQHASXJC-JKSUJKDBSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001506491228 1114646790 /nfs/dbraw/zinc/64/67/90/1114646790.db2.gz QOWOHIUTRDLOGT-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506741274 1114852336 /nfs/dbraw/zinc/85/23/36/1114852336.db2.gz FHXWGOHPDOHQOB-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001506887020 1114951752 /nfs/dbraw/zinc/95/17/52/1114951752.db2.gz ZCPFPPOKZUSEJX-XIRDDKMYSA-N 2 0 348.491 2.096 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001506891024 1114953394 /nfs/dbraw/zinc/95/33/94/1114953394.db2.gz AKYKGPMCYLUPSQ-ZOBUZTSGSA-N 2 0 325.472 2.237 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001506896940 1114957997 /nfs/dbraw/zinc/95/79/97/1114957997.db2.gz DKKXSGXHCGEYFP-JCNLHEQBSA-N 2 0 332.492 2.044 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001506923052 1114976268 /nfs/dbraw/zinc/97/62/68/1114976268.db2.gz PBAMKUPJLGKWHK-RDJZCZTQSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccncc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001506950274 1114998757 /nfs/dbraw/zinc/99/87/57/1114998757.db2.gz GHHGUXNCCARMTA-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001507410943 1115256066 /nfs/dbraw/zinc/25/60/66/1115256066.db2.gz PLABSXIKFOBTCC-UKRRQHHQSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCC1CCOCC1)C(C)(C)C)[NH+](C)C ZINC001508020983 1115390040 /nfs/dbraw/zinc/39/00/40/1115390040.db2.gz FIDQAXVEALVVFQ-DLBZAZTESA-N 2 0 341.540 2.264 10 0 EEAERP CCc1nocc1C[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001508166481 1115433415 /nfs/dbraw/zinc/43/34/15/1115433415.db2.gz ROKFAAVXQRSFTE-UHFFFAOYSA-N 2 0 348.491 2.050 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001508220728 1115450022 /nfs/dbraw/zinc/45/00/22/1115450022.db2.gz VTUQPOXXBNMXMC-PKOBYXMFSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1ccncc1C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001567924519 1124183131 /nfs/dbraw/zinc/18/31/31/1124183131.db2.gz DEYABSGNWHGBMM-GOSISDBHSA-N 2 0 332.492 2.155 10 0 EEAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001568072009 1124276730 /nfs/dbraw/zinc/27/67/30/1124276730.db2.gz HEOXRVJGFUIXRX-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC=C(Cl)Cl)CC[N@@H+]1C ZINC001568138390 1124322835 /nfs/dbraw/zinc/32/28/35/1124322835.db2.gz YOYAYGNOUYLOSP-JHJVBQTASA-N 2 0 334.291 2.226 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001568397528 1124467644 /nfs/dbraw/zinc/46/76/44/1124467644.db2.gz CFPKZKFKTHVEAW-NVXWUHKLSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(N1CC[C@H]2[C@@H](CC[N@H+]2CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001568516283 1124580823 /nfs/dbraw/zinc/58/08/23/1124580823.db2.gz VIYVIEVFRSMIQO-IRXDYDNUSA-N 2 0 337.483 2.145 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc2nsnc21 ZINC001568714271 1124732662 /nfs/dbraw/zinc/73/26/62/1124732662.db2.gz RGJBMTRAZHTNSK-ZDUSSCGKSA-N 2 0 349.504 2.016 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)C12CCC[NH+](CCC1)C2 ZINC001568870765 1124897786 /nfs/dbraw/zinc/89/77/86/1124897786.db2.gz GAGJPKMLGQUIJC-UPHRSURJSA-N 2 0 341.446 2.170 10 0 EEAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568905699 1124932032 /nfs/dbraw/zinc/93/20/32/1124932032.db2.gz DBENZAUBVSRXLO-PRVDXRAFSA-N 2 0 337.508 2.080 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001568910997 1124939456 /nfs/dbraw/zinc/93/94/56/1124939456.db2.gz ADHQIXDZWCXMIK-SREVYHEPSA-N 2 0 329.488 2.353 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)C1 ZINC001568963361 1124999665 /nfs/dbraw/zinc/99/96/65/1124999665.db2.gz ADWIDOCWSTXBMV-AWFCHZOYSA-N 2 0 335.879 2.096 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001569022717 1125047847 /nfs/dbraw/zinc/04/78/47/1125047847.db2.gz WAEPUNFPLDEWFK-QGZVFWFLSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001569201580 1125161280 /nfs/dbraw/zinc/16/12/80/1125161280.db2.gz DGQGIZHZBOARPN-QGZVFWFLSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001569239416 1125186867 /nfs/dbraw/zinc/18/68/67/1125186867.db2.gz BOLCTEBTEIGZQW-KRWDZBQOSA-N 2 0 343.515 2.455 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCc2ccccc2Cl)C2CC2)C1 ZINC001569329545 1125232656 /nfs/dbraw/zinc/23/26/56/1125232656.db2.gz PLBFRAZFBZUQOG-WMZOPIPTSA-N 2 0 349.906 2.319 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000422881366 536596478 /nfs/dbraw/zinc/59/64/78/536596478.db2.gz QKVCTDVAENQDLX-GFCCVEGCSA-N 2 0 331.254 2.301 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000069415288 215402341 /nfs/dbraw/zinc/40/23/41/215402341.db2.gz NQRMGTQLGJGEPH-UHFFFAOYSA-N 2 0 345.256 2.382 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000124188804 283058258 /nfs/dbraw/zinc/05/82/58/283058258.db2.gz YEJABBMWPVDFAT-ZWKOTPCHSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184309533 235363589 /nfs/dbraw/zinc/36/35/89/235363589.db2.gz PRKCGYSUSVZNNR-OAHLLOKOSA-N 2 0 326.444 2.398 10 0 EEAERP CN(C)c1ncccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860516 240262754 /nfs/dbraw/zinc/26/27/54/240262754.db2.gz LKCHIACHRGXEKA-YLJYHZDGSA-N 2 0 338.455 2.493 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422876552 240272552 /nfs/dbraw/zinc/27/25/52/240272552.db2.gz QIWUPIOTLFBQLQ-ZRGWGRIASA-N 2 0 333.476 2.260 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024353 240332511 /nfs/dbraw/zinc/33/25/11/240332511.db2.gz LNYCBKMTPJHQNP-OLZOCXBDSA-N 2 0 329.847 2.401 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)C[NH+]1CCCC1)CC2 ZINC000229840800 242205753 /nfs/dbraw/zinc/20/57/53/242205753.db2.gz QDDJBDJAOYHKPU-KSZLIROESA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000247158095 243384230 /nfs/dbraw/zinc/38/42/30/243384230.db2.gz KGXFVYAZJNOXEY-JLSDUUJJSA-N 2 0 348.466 2.307 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000455561046 244027477 /nfs/dbraw/zinc/02/74/77/244027477.db2.gz MVBCSLUZFIOHDB-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000177861247 284343006 /nfs/dbraw/zinc/34/30/06/284343006.db2.gz RJCYBYWVJMFKRC-OALUTQOASA-N 2 0 346.519 2.143 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733841 217252109 /nfs/dbraw/zinc/25/21/09/217252109.db2.gz WOHARVNLEFVULH-MJGOQNOKSA-N 2 0 346.519 2.333 10 0 EEAERP COCC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCOCC1 ZINC000491575326 246078107 /nfs/dbraw/zinc/07/81/07/246078107.db2.gz ZKVMIJIKZHSAAJ-UHFFFAOYSA-N 2 0 330.432 2.109 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1F ZINC000115825151 292235043 /nfs/dbraw/zinc/23/50/43/292235043.db2.gz KGYPOSCFTZRTQO-OAHLLOKOSA-N 2 0 336.455 2.028 10 0 EEAERP COc1ccc([C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423468404 286376170 /nfs/dbraw/zinc/37/61/70/286376170.db2.gz BXAOMUAXVRFGGY-OAGGEKHMSA-N 2 0 325.403 2.075 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000124661462 159480799 /nfs/dbraw/zinc/48/07/99/159480799.db2.gz ZGBALOQRZBXRBU-MOPGFXCFSA-N 3 0 336.568 2.257 10 0 EEAERP [NH3+]CCCCCCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186610564 160078055 /nfs/dbraw/zinc/07/80/55/160078055.db2.gz VQRTVYFRFOQJGH-SFHVURJKSA-N 2 0 332.492 2.462 10 0 EEAERP CC(C)[NH2+]CCN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000193438092 160181541 /nfs/dbraw/zinc/18/15/41/160181541.db2.gz OGEJTJYJLMUPGT-HXUWFJFHSA-N 2 0 333.520 2.362 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000246987260 160303735 /nfs/dbraw/zinc/30/37/35/160303735.db2.gz FCQPNGQVDKAHHV-NEWSRXKRSA-N 2 0 327.472 2.346 10 0 EEAERP OC[C@H]([NH2+]C/C=C\C[NH2+][C@H](CO)c1ccsc1)c1ccsc1 ZINC000352019458 162031343 /nfs/dbraw/zinc/03/13/43/162031343.db2.gz FEOVTJHWKSGPOY-QZLXFXEDSA-N 2 0 338.498 2.312 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000359373266 164122825 /nfs/dbraw/zinc/12/28/25/164122825.db2.gz OJVXAEXYLCNZBM-CQSZACIVSA-N 2 0 339.505 2.107 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360868645 164394076 /nfs/dbraw/zinc/39/40/76/164394076.db2.gz AEDUVQIWXSPVJP-AFYVEPGGSA-N 2 0 332.488 2.132 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000171904947 227353165 /nfs/dbraw/zinc/35/31/65/227353165.db2.gz YQBYFAAUMLHCLE-MSOLQXFVSA-N 2 0 330.476 2.087 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453096521 278345388 /nfs/dbraw/zinc/34/53/88/278345388.db2.gz TVUUPUQZGVDKEK-QGZVFWFLSA-N 2 0 341.503 2.375 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420302936 279064128 /nfs/dbraw/zinc/06/41/28/279064128.db2.gz MTUBJCWQNWRXDN-KGLIPLIRSA-N 2 0 335.414 2.109 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416843303 313333003 /nfs/dbraw/zinc/33/30/03/313333003.db2.gz OKOSAUUUFSLFTQ-ARFHVFGLSA-N 2 0 348.516 2.278 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416886969 313349872 /nfs/dbraw/zinc/34/98/72/313349872.db2.gz HKJRSHIBESRPMZ-RTBURBONSA-N 2 0 344.503 2.422 10 0 EEAERP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416890503 313351074 /nfs/dbraw/zinc/35/10/74/313351074.db2.gz IVXUAAVPQBEHNF-YJBOKZPZSA-N 2 0 330.476 2.161 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416898476 313354199 /nfs/dbraw/zinc/35/41/99/313354199.db2.gz RWJCVHWIRFOQMG-MOPGFXCFSA-N 2 0 342.487 2.318 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000416975705 313379274 /nfs/dbraw/zinc/37/92/74/313379274.db2.gz ZOGYREIDPXTVNB-YJBOKZPZSA-N 2 0 332.492 2.324 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000417157009 313436784 /nfs/dbraw/zinc/43/67/84/313436784.db2.gz ACJFIVDJMXJRNP-INMHGKMJSA-N 2 0 348.491 2.257 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000417835672 313613810 /nfs/dbraw/zinc/61/38/10/313613810.db2.gz GQLZUHCJNMXUBK-ROUUACIJSA-N 2 0 336.524 2.138 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418595879 313856087 /nfs/dbraw/zinc/85/60/87/313856087.db2.gz OMIJRNYEUYZTMR-YJBOKZPZSA-N 2 0 332.492 2.278 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000515220927 316471894 /nfs/dbraw/zinc/47/18/94/316471894.db2.gz IQFNHYKUMUXXKI-QFBILLFUSA-N 2 0 344.503 2.470 10 0 EEAERP CCN(C)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000530248297 317704267 /nfs/dbraw/zinc/70/42/67/317704267.db2.gz IHCUIFJPGYAMTQ-GOSISDBHSA-N 2 0 332.492 2.128 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000541880585 318115280 /nfs/dbraw/zinc/11/52/80/318115280.db2.gz JCHUZLCHKWQLDZ-LJQANCHMSA-N 2 0 347.503 2.146 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000542787527 318140539 /nfs/dbraw/zinc/14/05/39/318140539.db2.gz GHBDVSAMFBFNMI-IRXDYDNUSA-N 2 0 332.492 2.392 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000545308672 318215940 /nfs/dbraw/zinc/21/59/40/318215940.db2.gz ZSHIGJOWMCLUHV-IBGZPJMESA-N 2 0 327.472 2.132 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCCCC1 ZINC000567222079 319360122 /nfs/dbraw/zinc/36/01/22/319360122.db2.gz GKVBPCAXQUJBGI-SFHVURJKSA-N 2 0 336.524 2.426 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000574450948 320026333 /nfs/dbraw/zinc/02/63/33/320026333.db2.gz YDQIWAJQTGVPDA-UHFFFAOYSA-N 2 0 330.476 2.163 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000577269250 320246065 /nfs/dbraw/zinc/24/60/65/320246065.db2.gz MAZDRWPUCGVZAH-HKUYNNGSSA-N 2 0 348.466 2.214 10 0 EEAERP Cc1cccn2c(C[NH2+]C[C@@H]3CCO[C@H]3c3cnn(C)c3)cnc12 ZINC000084247947 323319727 /nfs/dbraw/zinc/31/97/27/323319727.db2.gz MOLORGCCXPMHKE-WMLDXEAASA-N 2 0 325.416 2.244 10 0 EEAERP O=c1[nH]c2ccccc2cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000580880472 324144777 /nfs/dbraw/zinc/14/47/77/324144777.db2.gz FGAQTTYJJBXIJC-UHFFFAOYSA-N 2 0 340.471 2.246 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000358445195 465126400 /nfs/dbraw/zinc/12/64/00/465126400.db2.gz XBQSDLOXXPKBQV-UHFFFAOYSA-N 2 0 346.475 2.401 10 0 EEAERP CCC[NH+]1CCC([N@H+](C)CCc2c(C)nc3ccccn3c2=O)CC1 ZINC000351516292 465196878 /nfs/dbraw/zinc/19/68/78/465196878.db2.gz FNNFYGTXCVGXHJ-UHFFFAOYSA-N 2 0 342.487 2.352 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000358659746 465247422 /nfs/dbraw/zinc/24/74/22/465247422.db2.gz FHKBTFZXKGOWGB-SFHVURJKSA-N 2 0 330.476 2.241 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)[C@@H](C)C1 ZINC000329200754 465265420 /nfs/dbraw/zinc/26/54/20/465265420.db2.gz WKFRNJYENRMREF-UKMLZYKCSA-N 2 0 334.464 2.487 10 0 EEAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CS2 ZINC000520814236 468273266 /nfs/dbraw/zinc/27/32/66/468273266.db2.gz CPUWSRRFHJSIFA-KLHDSHLOSA-N 2 0 334.485 2.286 10 0 EEAERP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000090410621 462790245 /nfs/dbraw/zinc/79/02/45/462790245.db2.gz LSNOOXMZRGDALG-DOTOQJQBSA-N 2 0 348.491 2.081 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000568388318 468329822 /nfs/dbraw/zinc/32/98/22/468329822.db2.gz PXYHEIGWVSEJBS-LJQANCHMSA-N 2 0 344.503 2.376 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000077793521 463049341 /nfs/dbraw/zinc/04/93/41/463049341.db2.gz MDMFSXIQNHTKDR-QGZVFWFLSA-N 2 0 346.519 2.464 10 0 EEAERP C[N@H+](CCCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000052802829 463107546 /nfs/dbraw/zinc/10/75/46/463107546.db2.gz ICQSGAYBQZTJQF-UHFFFAOYSA-N 2 0 329.488 2.294 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCN(C2CC2)CC1 ZINC000121551051 463155559 /nfs/dbraw/zinc/15/55/59/463155559.db2.gz LRUGENQBBPKQHV-IBGZPJMESA-N 2 0 327.472 2.348 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000069204132 463218131 /nfs/dbraw/zinc/21/81/31/463218131.db2.gz FBUNIAVFLFWQKH-HOTGVXAUSA-N 2 0 334.464 2.198 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000122792283 463293356 /nfs/dbraw/zinc/29/33/56/463293356.db2.gz KEORXNMDBMSYKP-OAHLLOKOSA-N 2 0 328.464 2.435 10 0 EEAERP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000124113936 463391412 /nfs/dbraw/zinc/39/14/12/463391412.db2.gz KQYNNOJFQCOVIF-OFLPRAFFSA-N 2 0 340.508 2.323 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000073947405 463672649 /nfs/dbraw/zinc/67/26/49/463672649.db2.gz IRYBENNALSYGGJ-FUHWJXTLSA-N 2 0 344.503 2.405 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000261688643 463827243 /nfs/dbraw/zinc/82/72/43/463827243.db2.gz NLSMSFGVKOSPQZ-KBXCAEBGSA-N 2 0 333.451 2.467 10 0 EEAERP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171756913 463920141 /nfs/dbraw/zinc/92/01/41/463920141.db2.gz VARMMNQTNDRHOE-IEBWSBKVSA-N 2 0 345.462 2.344 10 0 EEAERP CCc1nc2ccccc2n1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172060449 463979373 /nfs/dbraw/zinc/97/93/73/463979373.db2.gz XVSJSHVTAKDSEH-LSDHHAIUSA-N 2 0 326.444 2.294 10 0 EEAERP C[C@H](c1cccnc1)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000279145499 464042904 /nfs/dbraw/zinc/04/29/04/464042904.db2.gz GRZOXNHWEWLTGP-BBWFWOEESA-N 2 0 330.476 2.017 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000523359297 468390030 /nfs/dbraw/zinc/39/00/30/468390030.db2.gz ZESMQJIIHLWKHD-INIZCTEOSA-N 2 0 333.476 2.087 10 0 EEAERP CCCn1nc(C)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000179515103 464150813 /nfs/dbraw/zinc/15/08/13/464150813.db2.gz XDRRZZJQGOUOKI-HNNXBMFYSA-N 2 0 336.524 2.435 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264476996 464342442 /nfs/dbraw/zinc/34/24/42/464342442.db2.gz HEPXQGNRBLFSHH-QGZVFWFLSA-N 2 0 345.487 2.327 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833064 464455751 /nfs/dbraw/zinc/45/57/51/464455751.db2.gz CXQJCLNLRCVSSQ-IEBWSBKVSA-N 2 0 342.487 2.163 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000245959287 464531069 /nfs/dbraw/zinc/53/10/69/464531069.db2.gz XVOFBQZEOFFMIA-AOIWGVFYSA-N 2 0 344.503 2.385 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000246436964 464585441 /nfs/dbraw/zinc/58/54/41/464585441.db2.gz NGKLSAFORJOPRG-YJBOKZPZSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000182311273 464625076 /nfs/dbraw/zinc/62/50/76/464625076.db2.gz OSNYWEODZYFNJU-IEBWSBKVSA-N 2 0 347.503 2.119 10 0 EEAERP COC(=O)c1ccc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190485369 464656297 /nfs/dbraw/zinc/65/62/97/464656297.db2.gz RVUZUTRFSVHCMN-INIZCTEOSA-N 2 0 343.427 2.415 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247971917 464719769 /nfs/dbraw/zinc/71/97/69/464719769.db2.gz FUKRZGCXRYHZNX-ROUUACIJSA-N 2 0 332.492 2.413 10 0 EEAERP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000183090269 464794517 /nfs/dbraw/zinc/79/45/17/464794517.db2.gz GIVBWRNVLSVDSS-VQIMIIECSA-N 2 0 345.487 2.056 10 0 EEAERP CN1C(=O)C[C@H]([NH2+]CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000192157245 464877053 /nfs/dbraw/zinc/87/70/53/464877053.db2.gz HNZFEECSDNZEHB-DOTOQJQBSA-N 2 0 332.835 2.488 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000252736389 464989065 /nfs/dbraw/zinc/98/90/65/464989065.db2.gz URHFLPNPDGSGNF-XHSDSOJGSA-N 2 0 325.403 2.166 10 0 EEAERP CCOC(=O)CC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCC1 ZINC000337464874 465385125 /nfs/dbraw/zinc/38/51/25/465385125.db2.gz MFMAQYXDVMCXFF-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000356739736 465514301 /nfs/dbraw/zinc/51/43/01/465514301.db2.gz JWXWZOFPLDNHKP-QGZVFWFLSA-N 2 0 346.519 2.287 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344595779 465704939 /nfs/dbraw/zinc/70/49/39/465704939.db2.gz FFKYQLUPCWMMOB-GOSISDBHSA-N 2 0 347.503 2.477 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341416 465730323 /nfs/dbraw/zinc/73/03/23/465730323.db2.gz OAZPUIKRHRNJJV-LSTHTHJFSA-N 2 0 349.494 2.125 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CCC4(CC[NH2+]C4)CC3)ccc21 ZINC000340125065 465788638 /nfs/dbraw/zinc/78/86/38/465788638.db2.gz DLEJBNFECWOWDT-UHFFFAOYSA-N 2 0 340.471 2.206 10 0 EEAERP COC(=O)[C@]12C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1CCCC2 ZINC000597156743 468463667 /nfs/dbraw/zinc/46/36/67/468463667.db2.gz JQHFWHXBRNRRDN-DNVCBOLYSA-N 2 0 340.427 2.433 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH]cn1 ZINC000366858507 465976928 /nfs/dbraw/zinc/97/69/28/465976928.db2.gz PJSNAUYGQRQESS-MRXNPFEDSA-N 2 0 326.444 2.465 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)C2)n(C)n1 ZINC000353588060 465997189 /nfs/dbraw/zinc/99/71/89/465997189.db2.gz KXHHIYNMRLTORH-MLHJIOFPSA-N 2 0 331.508 2.160 10 0 EEAERP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000353820739 466175091 /nfs/dbraw/zinc/17/50/91/466175091.db2.gz ZFOHNUJLIMARSE-QGZVFWFLSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)CC1 ZINC000372305798 466291677 /nfs/dbraw/zinc/29/16/77/466291677.db2.gz WAIKCHQYWLRTOD-HZPDHXFCSA-N 2 0 330.476 2.157 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000340857548 466387794 /nfs/dbraw/zinc/38/77/94/466387794.db2.gz HLVKDGSMQFJYIZ-QRQLOZEOSA-N 2 0 346.519 2.283 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000361967235 466445974 /nfs/dbraw/zinc/44/59/74/466445974.db2.gz JEILURRRXJVMAL-IHPCNDPISA-N 2 0 334.504 2.489 10 0 EEAERP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367738050 466527428 /nfs/dbraw/zinc/52/74/28/466527428.db2.gz RBHDTJQJRAHMJQ-RCCFBDPRSA-N 2 0 332.444 2.201 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569489125 468499670 /nfs/dbraw/zinc/49/96/70/468499670.db2.gz JUECJINEZHDJTJ-AZUAARDMSA-N 2 0 327.472 2.253 10 0 EEAERP Cc1ccc2[nH+]ccc(N3CCC(O)(C[NH+]4CCOCC4)CC3)c2c1 ZINC000354564651 466643786 /nfs/dbraw/zinc/64/37/86/466643786.db2.gz CAUSRNBHRXDOMT-UHFFFAOYSA-N 2 0 341.455 2.207 10 0 EEAERP COCC1(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC[NH2+]CC1 ZINC000423407273 466742042 /nfs/dbraw/zinc/74/20/42/466742042.db2.gz MFYSYESYQIYVJV-SFHVURJKSA-N 2 0 344.434 2.311 10 0 EEAERP C[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000365432714 466816970 /nfs/dbraw/zinc/81/69/70/466816970.db2.gz USJATQKXFJCZLA-KNXWPPODSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000417656651 466901129 /nfs/dbraw/zinc/90/11/29/466901129.db2.gz GRBJWTQGSRUODN-ZFWWWQNUSA-N 2 0 336.455 2.156 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)NCC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417982037 467008706 /nfs/dbraw/zinc/00/87/06/467008706.db2.gz DISNXQYCOLGXMF-IRXDYDNUSA-N 2 0 346.475 2.010 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000424323056 467029242 /nfs/dbraw/zinc/02/92/42/467029242.db2.gz KJKVKCMGZOXIKD-HOTGVXAUSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418042252 467031719 /nfs/dbraw/zinc/03/17/19/467031719.db2.gz LMEMAZCYNBCMHK-VDZJLULYSA-N 2 0 330.476 2.172 10 0 EEAERP C[C@@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1ccncc1)CC[NH2+]CC2 ZINC000424372896 467034887 /nfs/dbraw/zinc/03/48/87/467034887.db2.gz GBUFCEPXLJOLIS-OAHLLOKOSA-N 2 0 325.460 2.446 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccco1 ZINC000418173564 467065530 /nfs/dbraw/zinc/06/55/30/467065530.db2.gz YOQATUYSIVLLSK-CAOSSQGBSA-N 2 0 334.464 2.102 10 0 EEAERP C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625613 467099068 /nfs/dbraw/zinc/09/90/68/467099068.db2.gz LDPXKHDFRGKAHS-GOSISDBHSA-N 2 0 327.476 2.163 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000418579545 467131086 /nfs/dbraw/zinc/13/10/86/467131086.db2.gz RMHAEOBLFPLJEO-BDXSIMOUSA-N 2 0 336.524 2.280 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(OC(C)C)C3)cn2)CC1 ZINC000428258112 467216997 /nfs/dbraw/zinc/21/69/97/467216997.db2.gz DLFKKBDHHLBRHH-UHFFFAOYSA-N 2 0 332.492 2.269 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000382768125 467379592 /nfs/dbraw/zinc/37/95/92/467379592.db2.gz YUMCZRSNWNNBBJ-NZSAHSFTSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000414296896 467398920 /nfs/dbraw/zinc/39/89/20/467398920.db2.gz FSHYEZOIYKPKBA-IEBWSBKVSA-N 2 0 332.488 2.418 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1CC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390774120 467411094 /nfs/dbraw/zinc/41/10/94/467411094.db2.gz LRTWKIUWYPRDDX-INIZCTEOSA-N 2 0 325.456 2.438 10 0 EEAERP CCn1cncc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397595035 467443776 /nfs/dbraw/zinc/44/37/76/467443776.db2.gz LGZAUIYBVREJSA-UHFFFAOYSA-N 2 0 328.460 2.020 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404441718 467475062 /nfs/dbraw/zinc/47/50/62/467475062.db2.gz VCZNVIZZGYPMOC-OGJJZOIMSA-N 2 0 329.488 2.352 10 0 EEAERP c1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c2c(c1)OCCCO2 ZINC000415048210 467475877 /nfs/dbraw/zinc/47/58/77/467475877.db2.gz FWUHAHAGTUUMNM-UHFFFAOYSA-N 2 0 345.487 2.154 10 0 EEAERP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000453374792 467483667 /nfs/dbraw/zinc/48/36/67/467483667.db2.gz SXLJQCKJAGFHSN-ZRSRNVLSSA-N 2 0 327.472 2.426 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000454304926 467582962 /nfs/dbraw/zinc/58/29/62/467582962.db2.gz RNFILXKCINYTBH-UHFFFAOYSA-N 2 0 347.507 2.290 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CN2CCOCC2)CC1 ZINC000449080964 467617142 /nfs/dbraw/zinc/61/71/42/467617142.db2.gz ARSUAFNBIHOSBT-RBUKOAKNSA-N 2 0 345.531 2.392 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449672800 467685295 /nfs/dbraw/zinc/68/52/95/467685295.db2.gz NHORVZKDHVVIEL-IUODEOHRSA-N 2 0 340.349 2.321 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458170218 467782250 /nfs/dbraw/zinc/78/22/50/467782250.db2.gz OSKFQFFMPCMALG-MRXNPFEDSA-N 2 0 333.476 2.089 10 0 EEAERP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000530710671 468003500 /nfs/dbraw/zinc/00/35/00/468003500.db2.gz SRDWPYWQGDCEQF-LSDHHAIUSA-N 2 0 348.495 2.062 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)Cc1ccccc1 ZINC000570233757 468608751 /nfs/dbraw/zinc/60/87/51/468608751.db2.gz MKNQPFNQOREEHA-OKYOBFRVSA-N 2 0 329.488 2.196 10 0 EEAERP CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584715773 468919483 /nfs/dbraw/zinc/91/94/83/468919483.db2.gz BBDUDDBIPUJDGX-KRWDZBQOSA-N 2 0 336.476 2.035 10 0 EEAERP C[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000584721024 468921672 /nfs/dbraw/zinc/92/16/72/468921672.db2.gz HWFCUZANKXXCBJ-OPNNQBFTSA-N 2 0 347.478 2.495 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572499519 468942356 /nfs/dbraw/zinc/94/23/56/468942356.db2.gz FWLJCJYAMIRPLM-ZWKOTPCHSA-N 2 0 328.460 2.041 10 0 EEAERP [NH3+]CC[C@@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000573465105 469139298 /nfs/dbraw/zinc/13/92/98/469139298.db2.gz YIJJGZHHFVWVMM-KRWDZBQOSA-N 2 0 329.488 2.430 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000604106360 469458233 /nfs/dbraw/zinc/45/82/33/469458233.db2.gz LJJPTPHASWIVPN-ZWKOTPCHSA-N 2 0 330.476 2.044 10 0 EEAERP COc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623353333 469632868 /nfs/dbraw/zinc/63/28/68/469632868.db2.gz ISCOVTXYFYZWIH-UHFFFAOYSA-N 2 0 347.503 2.352 10 0 EEAERP CN(C)c1c(C[NH2+]CCCC[NH+]2CCOCC2)ccc(F)c1F ZINC000623358905 469633947 /nfs/dbraw/zinc/63/39/47/469633947.db2.gz YBDVZYBOISTRLL-UHFFFAOYSA-N 2 0 327.419 2.233 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626938703 469762517 /nfs/dbraw/zinc/76/25/17/469762517.db2.gz JFKDIVVXLPINEL-MAUKXSAKSA-N 2 0 344.503 2.263 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000626994820 469781459 /nfs/dbraw/zinc/78/14/59/469781459.db2.gz KIETVAQPOMWMAM-WZGPROSRSA-N 2 0 344.503 2.479 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000627017085 469791410 /nfs/dbraw/zinc/79/14/10/469791410.db2.gz ZOYNBEGNMDKEJK-WDYCEAGBSA-N 2 0 330.476 2.091 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000620825514 469929635 /nfs/dbraw/zinc/92/96/35/469929635.db2.gz LQARLLNZXDTHCK-MOPGFXCFSA-N 2 0 344.503 2.292 10 0 EEAERP Cc1cn2c(n1)C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000624547628 469974173 /nfs/dbraw/zinc/97/41/73/469974173.db2.gz PBEGJGUFKRYNFJ-HOCLYGCPSA-N 2 0 332.492 2.381 10 0 EEAERP C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000625198223 470093863 /nfs/dbraw/zinc/09/38/63/470093863.db2.gz RZECXMXKEHFBNM-RTBURBONSA-N 2 0 332.488 2.106 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000638835627 470299376 /nfs/dbraw/zinc/29/93/76/470299376.db2.gz NBIZOGHPBFLJGJ-IZIZEDOESA-N 2 0 329.488 2.388 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762840 470300795 /nfs/dbraw/zinc/30/07/95/470300795.db2.gz IAMAVMULVYSTCK-PXNSSMCTSA-N 2 0 327.472 2.157 10 0 EEAERP C[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634771409 470304085 /nfs/dbraw/zinc/30/40/85/470304085.db2.gz UDQSCWMOFKQHHI-WBKMXMRLSA-N 2 0 341.499 2.403 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000650714994 470948921 /nfs/dbraw/zinc/94/89/21/470948921.db2.gz KSZARUMUUKTXLQ-UKRRQHHQSA-N 2 0 332.366 2.423 10 0 EEAERP C[N@H+](CCCc1ccc(C(F)(F)F)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000647824138 470993008 /nfs/dbraw/zinc/99/30/08/470993008.db2.gz SLMOVOIXYUXZAY-UHFFFAOYSA-N 2 0 343.393 2.002 10 0 EEAERP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000657313369 471094276 /nfs/dbraw/zinc/09/42/76/471094276.db2.gz PNLAOOKVGJBUBL-IBGZPJMESA-N 2 0 334.460 2.056 10 0 EEAERP c1cc(C[NH2+]CCCOCC2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000657371019 471116583 /nfs/dbraw/zinc/11/65/83/471116583.db2.gz HRFWNTMURZXKQB-UHFFFAOYSA-N 2 0 330.432 2.190 10 0 EEAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654664080 471120624 /nfs/dbraw/zinc/12/06/24/471120624.db2.gz PMWWAKZWMRMWTO-IYBDPMFKSA-N 2 0 338.521 2.162 10 0 EEAERP O[C@]1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000651944423 471180855 /nfs/dbraw/zinc/18/08/55/471180855.db2.gz VIBWGRJWXLVSHJ-UWHLTILDSA-N 2 0 344.499 2.418 10 0 EEAERP CC(C)n1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597320 471181113 /nfs/dbraw/zinc/18/11/13/471181113.db2.gz UBKMUOBDLVOTRL-IBGZPJMESA-N 2 0 328.460 2.320 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657841814 471239840 /nfs/dbraw/zinc/23/98/40/471239840.db2.gz GVPMXMQXEFCRCW-IBGZPJMESA-N 2 0 329.488 2.235 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000652135662 471242585 /nfs/dbraw/zinc/24/25/85/471242585.db2.gz XYINPZMMEIFUSO-MRXNPFEDSA-N 2 0 332.492 2.327 10 0 EEAERP CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652337355 471273823 /nfs/dbraw/zinc/27/38/23/471273823.db2.gz GJJDTCWUAIREFA-GOSISDBHSA-N 2 0 329.488 2.461 10 0 EEAERP OC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCSCC1 ZINC000660447365 471345513 /nfs/dbraw/zinc/34/55/13/471345513.db2.gz JPVPMIUBQXMONU-HDICACEKSA-N 2 0 332.513 2.308 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)Cc1ccccc1 ZINC000663445488 471381211 /nfs/dbraw/zinc/38/12/11/471381211.db2.gz PJXQNFFPWVEACB-QZTJIDSGSA-N 2 0 346.519 2.331 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663452652 471384834 /nfs/dbraw/zinc/38/48/34/471384834.db2.gz LURCDXDOCBUGKI-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP OC1(C[NH2+][C@@H]2CCCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000655776129 471477491 /nfs/dbraw/zinc/47/74/91/471477491.db2.gz IGXUWGJHVIWNED-GOSISDBHSA-N 2 0 340.471 2.335 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000659034363 471478211 /nfs/dbraw/zinc/47/82/11/471478211.db2.gz MQQHKVCWVVJPSP-SFHVURJKSA-N 2 0 344.459 2.050 10 0 EEAERP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806104 471489497 /nfs/dbraw/zinc/48/94/97/471489497.db2.gz ZBLGTKIKSDGZAM-WSTZPKSXSA-N 2 0 331.504 2.298 10 0 EEAERP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653145425 471506543 /nfs/dbraw/zinc/50/65/43/471506543.db2.gz VIELVJPVCUBROQ-BVBHFADKSA-N 2 0 345.462 2.166 10 0 EEAERP O[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835530 471507125 /nfs/dbraw/zinc/50/71/25/471507125.db2.gz LVKMFSOQNJTBIW-ZHEVZCJESA-N 2 0 334.504 2.301 10 0 EEAERP CCc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])[NH+](CC)CC)cc1 ZINC000669590912 471571149 /nfs/dbraw/zinc/57/11/49/471571149.db2.gz VUFRWOQBAQGKLI-ZEVQVBBLSA-N 2 0 332.492 2.446 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663909601 471573239 /nfs/dbraw/zinc/57/32/39/471573239.db2.gz OLZJIKULDDZQTB-IAGOWNOFSA-N 2 0 348.491 2.461 10 0 EEAERP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661004342 471583912 /nfs/dbraw/zinc/58/39/12/471583912.db2.gz RKXCRXXIFRBEBJ-LPHOPBHVSA-N 2 0 344.503 2.100 10 0 EEAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659350585 471588691 /nfs/dbraw/zinc/58/86/91/471588691.db2.gz XECHJOUWCVNATC-VAMGGRTRSA-N 2 0 335.451 2.483 10 0 EEAERP CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000664133387 471649951 /nfs/dbraw/zinc/64/99/51/471649951.db2.gz LJMVJDGHYNOUEM-INIZCTEOSA-N 2 0 336.455 2.123 10 0 EEAERP CC[C@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1nccs1 ZINC000664186739 471668552 /nfs/dbraw/zinc/66/85/52/471668552.db2.gz GQBCPBZUSFOJHJ-KBPBESRZSA-N 2 0 341.525 2.165 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659558840 471676869 /nfs/dbraw/zinc/67/68/69/471676869.db2.gz DELUVUODMUWHFU-SFHVURJKSA-N 2 0 338.540 2.386 10 0 EEAERP CCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000659639468 471707184 /nfs/dbraw/zinc/70/71/84/471707184.db2.gz ZQNAIRFGGIDYBC-SOLBZPMBSA-N 2 0 332.492 2.461 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCCO1 ZINC000653875246 471765636 /nfs/dbraw/zinc/76/56/36/471765636.db2.gz SHVBWZKCNCHPMP-OTWHNJEPSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1cccc(NC[C@]2(CO)COCCN2Cc2ccccc2)n1 ZINC000664533435 471783670 /nfs/dbraw/zinc/78/36/70/471783670.db2.gz AVOIBPZZXYKLNI-IBGZPJMESA-N 2 0 327.428 2.065 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664630176 471816779 /nfs/dbraw/zinc/81/67/79/471816779.db2.gz QPCAELBVLBYWEF-NUJGCVRESA-N 2 0 336.524 2.375 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccccc1OC(F)F ZINC000665180487 471964147 /nfs/dbraw/zinc/96/41/47/471964147.db2.gz DXBUGHCRMFLNOF-UHFFFAOYSA-N 2 0 344.406 2.293 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000665285086 471989995 /nfs/dbraw/zinc/98/99/95/471989995.db2.gz CDZVZCARRFEMTJ-ZDUSSCGKSA-N 2 0 338.521 2.401 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000665289398 471991449 /nfs/dbraw/zinc/99/14/49/471991449.db2.gz NEWCWQJNYDOQCY-KRWDZBQOSA-N 2 0 346.519 2.373 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289029 471991626 /nfs/dbraw/zinc/99/16/26/471991626.db2.gz DIYMWAORJNPZDQ-KZNAEPCWSA-N 2 0 333.476 2.071 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662747307 472232637 /nfs/dbraw/zinc/23/26/37/472232637.db2.gz SFBQDTMOAFAYKX-OAHLLOKOSA-N 2 0 342.443 2.215 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1Cc1ccccc1 ZINC000662748039 472233299 /nfs/dbraw/zinc/23/32/99/472233299.db2.gz JSFSUBDYGBXFLO-UKRRQHHQSA-N 2 0 342.443 2.261 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662881811 472288846 /nfs/dbraw/zinc/28/88/46/472288846.db2.gz BKRFQRUGZDXWTL-UBDQQSCGSA-N 2 0 329.444 2.207 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000673862417 485559095 /nfs/dbraw/zinc/55/90/95/485559095.db2.gz KPUAJMNXFAYULX-HOTGVXAUSA-N 2 0 326.404 2.016 10 0 EEAERP OC[C@]1(N[C@H]2CC[NH+]3CCC[C@H]3C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000679043703 485572500 /nfs/dbraw/zinc/57/25/00/485572500.db2.gz JKXLFKGVRLWTIX-ACRUOGEOSA-N 2 0 343.515 2.230 10 0 EEAERP Cc1ncc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000679086548 485584898 /nfs/dbraw/zinc/58/48/98/485584898.db2.gz LLBNINOBUGHRBH-JSGCOSHPSA-N 2 0 326.510 2.195 10 0 EEAERP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@H]1COc2ccccc2O1 ZINC000662248679 485595390 /nfs/dbraw/zinc/59/53/90/485595390.db2.gz ANKDRXMIUKSNJM-HOTGVXAUSA-N 2 0 332.444 2.059 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674047298 485623288 /nfs/dbraw/zinc/62/32/88/485623288.db2.gz KCDQZDNWADAESV-UXHICEINSA-N 2 0 333.520 2.143 10 0 EEAERP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000682915154 486583745 /nfs/dbraw/zinc/58/37/45/486583745.db2.gz LCTJOOIMSLGRHR-DZGCQCFKSA-N 2 0 326.431 2.436 10 0 EEAERP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000172416997 517904043 /nfs/dbraw/zinc/90/40/43/517904043.db2.gz JGNKALWMESVLBA-UHFFFAOYSA-N 2 0 340.471 2.125 10 0 EEAERP c1ccc(CCN2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000158761540 534487566 /nfs/dbraw/zinc/48/75/66/534487566.db2.gz HWZCQQFNEVLJFJ-UHFFFAOYSA-N 2 0 345.531 2.396 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416246122 529059483 /nfs/dbraw/zinc/05/94/83/529059483.db2.gz LUJVMVLJGKPBOD-LJQANCHMSA-N 2 0 329.488 2.376 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000743004642 577878930 /nfs/dbraw/zinc/87/89/30/577878930.db2.gz HSCYKDCKUDZNJX-GOOCMWNKSA-N 2 0 326.554 2.054 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261738513 681781046 /nfs/dbraw/zinc/78/10/46/681781046.db2.gz IELWRLPNANDHFP-RTWAWAEBSA-N 3 0 345.531 2.363 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925544553 684260740 /nfs/dbraw/zinc/26/07/40/684260740.db2.gz AQLAGTMTSUQJOW-VQTJNVASSA-N 3 0 336.568 2.162 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC(C)=NO2)CC1 ZINC000895310255 684476523 /nfs/dbraw/zinc/47/65/23/684476523.db2.gz XZYFEWDHXREGDX-GOSISDBHSA-N 2 0 330.476 2.473 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000896156430 684859901 /nfs/dbraw/zinc/85/99/01/684859901.db2.gz LFMWNRQTVFFAMM-FQEVSTJZSA-N 2 0 345.487 2.119 10 0 EEAERP Cc1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)cc1 ZINC001485605946 1191860201 /nfs/dbraw/zinc/86/02/01/1191860201.db2.gz ZTDSNEXVUJVARS-OWZKRDHZSA-N 2 0 341.499 2.273 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001485705520 1191899377 /nfs/dbraw/zinc/89/93/77/1191899377.db2.gz HICHWYRKSZEMQQ-WGSAOQKQSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)oc1C ZINC001485722716 1191910097 /nfs/dbraw/zinc/91/00/97/1191910097.db2.gz PMSDQNOFSOIEFU-JGGQBBKZSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485731988 1191921927 /nfs/dbraw/zinc/92/19/27/1191921927.db2.gz AKPHMTRMNLSTCG-DNVCBOLYSA-N 2 0 345.487 2.186 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001272733768 1192404440 /nfs/dbraw/zinc/40/44/40/1192404440.db2.gz HDKWOUBRXFEUNN-XBRMVSOOSA-N 2 0 327.900 2.344 10 0 EEAERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1)[NH+](C)C ZINC001266414558 1176505359 /nfs/dbraw/zinc/50/53/59/1176505359.db2.gz DYEBWJRHINULCF-LSDHHAIUSA-N 2 0 338.883 2.060 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001266695510 1177217304 /nfs/dbraw/zinc/21/73/04/1177217304.db2.gz YATFEOHTRVALOK-CEXWTWQISA-N 2 0 329.488 2.340 10 0 EEAERP CN(CC[NH2+]CCOC1CCCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724593 1177309149 /nfs/dbraw/zinc/30/91/49/1177309149.db2.gz UNOGNLPTAOUNES-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266735151 1177324712 /nfs/dbraw/zinc/32/47/12/1177324712.db2.gz HTNLTOLRSAEQCS-HDICACEKSA-N 2 0 344.503 2.393 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001266796250 1177444163 /nfs/dbraw/zinc/44/41/63/1177444163.db2.gz WZTDERLZVTVCIG-CQSZACIVSA-N 2 0 347.425 2.395 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001266883005 1177699644 /nfs/dbraw/zinc/69/96/44/1177699644.db2.gz TUXHMJSYLBHGTG-MJGOQNOKSA-N 2 0 347.478 2.433 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1F ZINC001691317494 1177899138 /nfs/dbraw/zinc/89/91/38/1177899138.db2.gz XATANSWOHBTHFQ-QGZVFWFLSA-N 2 0 339.430 2.386 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C1CCC1 ZINC001691319341 1177903388 /nfs/dbraw/zinc/90/33/88/1177903388.db2.gz FXATWWSEJGHEMB-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCCCc1ccccc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691413634 1178021160 /nfs/dbraw/zinc/02/11/60/1178021160.db2.gz SQZGSLUJIDQFFV-WOJBJXKFSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001267055259 1178161420 /nfs/dbraw/zinc/16/14/20/1178161420.db2.gz IHMOBOAHNPSLMB-BBWFWOEESA-N 2 0 349.544 2.459 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001267069761 1178185558 /nfs/dbraw/zinc/18/55/58/1178185558.db2.gz CWZUTPPFNZGFGU-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001267080946 1178203352 /nfs/dbraw/zinc/20/33/52/1178203352.db2.gz GZHBLUXYWINCSN-HOTGVXAUSA-N 2 0 325.472 2.239 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267109990 1178265593 /nfs/dbraw/zinc/26/55/93/1178265593.db2.gz ORUCXZPBUFJBEN-IYBDPMFKSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267191589 1178465708 /nfs/dbraw/zinc/46/57/08/1178465708.db2.gz WMDCWMSRQZIYPV-HNNXBMFYSA-N 2 0 325.472 2.191 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267270945 1178648432 /nfs/dbraw/zinc/64/84/32/1178648432.db2.gz XXMITFWMFGIPTD-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ccn(C)n1 ZINC001267340567 1178788551 /nfs/dbraw/zinc/78/85/51/1178788551.db2.gz MVFBBKCOQAJRIC-CALCHBBNSA-N 2 0 349.523 2.010 10 0 EEAERP CN(CC[NH2+]CCCc1c(F)cccc1F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354975 1178815203 /nfs/dbraw/zinc/81/52/03/1178815203.db2.gz DCRPRDMWWGHNHA-KRWDZBQOSA-N 2 0 339.430 2.040 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001267391353 1178958132 /nfs/dbraw/zinc/95/81/32/1178958132.db2.gz HOZSHZXIGCWMAO-GOSISDBHSA-N 2 0 332.492 2.237 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CCC[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001267393403 1178964386 /nfs/dbraw/zinc/96/43/86/1178964386.db2.gz FUSRSTAKNBJCTJ-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267587886 1179557340 /nfs/dbraw/zinc/55/73/40/1179557340.db2.gz RVCPQHGJKGHRHN-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267744197 1180373120 /nfs/dbraw/zinc/37/31/20/1180373120.db2.gz IXHKCDPGJWFQLB-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001481246802 1180440789 /nfs/dbraw/zinc/44/07/89/1180440789.db2.gz ZILKKHRYQJVKTK-PKOBYXMFSA-N 2 0 345.487 2.260 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001267898283 1180717489 /nfs/dbraw/zinc/71/74/89/1180717489.db2.gz UTLOQVQURLWUCM-HYNJPGQWSA-N 2 0 325.884 2.053 10 0 EEAERP COc1ccc(C[N@H+](CCCNC(=O)[C@@H]2CC[NH+](C)C2)C(C)C)cc1 ZINC001481358260 1181117237 /nfs/dbraw/zinc/11/72/37/1181117237.db2.gz OSBCTJVJBGMSJW-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C2CC2)no1 ZINC001268161603 1181874898 /nfs/dbraw/zinc/87/48/98/1181874898.db2.gz DSLVNDVIJMDTLA-MRXNPFEDSA-N 2 0 348.491 2.365 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001268392455 1182457430 /nfs/dbraw/zinc/45/74/30/1182457430.db2.gz GHJUHXOSLROSRN-LBPRGKRZSA-N 2 0 338.521 2.086 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC001481740209 1182463367 /nfs/dbraw/zinc/46/33/67/1182463367.db2.gz MNFUGKOBVUVZHH-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268485535 1182959065 /nfs/dbraw/zinc/95/90/65/1182959065.db2.gz FMGABIKSJYHCPJ-HZPDHXFCSA-N 2 0 343.462 2.487 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268485500 1182959500 /nfs/dbraw/zinc/95/95/00/1182959500.db2.gz FGDUJTVFHYEQPX-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP C[C@@](C[NH2+]Cc1ccc(F)cc1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481945639 1183008216 /nfs/dbraw/zinc/00/82/16/1183008216.db2.gz AFTUZGWFYLBAPQ-IBGZPJMESA-N 2 0 345.462 2.296 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001481981889 1183076843 /nfs/dbraw/zinc/07/68/43/1183076843.db2.gz ANJLFMQFGMYEIL-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001481990229 1183096585 /nfs/dbraw/zinc/09/65/85/1183096585.db2.gz RWQIBAOMVOKJNY-ZWKOTPCHSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001268542903 1183214409 /nfs/dbraw/zinc/21/44/09/1183214409.db2.gz SFENIWJPTQOORT-AEHDXWABSA-N 2 0 334.464 2.036 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001268542906 1183215055 /nfs/dbraw/zinc/21/50/55/1183215055.db2.gz SFENIWJPTQOORT-JZNSLKIISA-N 2 0 334.464 2.036 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001268671009 1183599662 /nfs/dbraw/zinc/59/96/62/1183599662.db2.gz LJTWEMNGQSNILL-DYVFJYSZSA-N 2 0 341.446 2.188 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1coc(C2CC2)n1 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341.540 2.218 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccn1 ZINC001485434825 1191783847 /nfs/dbraw/zinc/78/38/47/1191783847.db2.gz UAKIFBCVTMIKMI-QRQLOZEOSA-N 2 0 346.519 2.385 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001486418263 1193948937 /nfs/dbraw/zinc/94/89/37/1193948937.db2.gz SNTKRZVVGREUBW-IAGOWNOFSA-N 2 0 341.540 2.406 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CN(Cc3ccc(F)cn3)CC2(C)C)CCC1 ZINC001410016900 1197265950 /nfs/dbraw/zinc/26/59/50/1197265950.db2.gz KUVJJYAKHGPIHU-INIZCTEOSA-N 2 0 348.466 2.032 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC[C@@H]2CCCCO2)CC1 ZINC001410254662 1197639578 /nfs/dbraw/zinc/63/95/78/1197639578.db2.gz BXJVXOHKDJVLBA-SFHVURJKSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001410369805 1197761633 /nfs/dbraw/zinc/76/16/33/1197761633.db2.gz DTGPACZJSRKXBW-ZYSHUDEJSA-N 2 0 347.503 2.362 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001410392900 1197793536 /nfs/dbraw/zinc/79/35/36/1197793536.db2.gz VALGWEWLAYPMTR-SJLPKXTDSA-N 2 0 332.492 2.199 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871674158 1197825791 /nfs/dbraw/zinc/82/57/91/1197825791.db2.gz SQZQULAFZCTEDE-TZMCWYRMSA-N 2 0 344.381 2.349 10 0 EEAERP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000872031626 1198030442 /nfs/dbraw/zinc/03/04/42/1198030442.db2.gz RLSKIYYMCDIUNQ-AZUAARDMSA-N 2 0 346.519 2.389 10 0 EEAERP COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000872157642 1198061587 /nfs/dbraw/zinc/06/15/87/1198061587.db2.gz PAXFNOVRKQCOLU-KRWDZBQOSA-N 2 0 335.517 2.080 10 0 EEAERP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865070596 1198073314 /nfs/dbraw/zinc/07/33/14/1198073314.db2.gz VKJAQLWMIFDUMI-LULLPPNCSA-N 2 0 342.487 2.002 10 0 EEAERP C[C@H](C[NH2+]Cc1cnc2c(F)cccc2c1)CN1CC[NH+](C)CC1 ZINC000865448926 1198223352 /nfs/dbraw/zinc/22/33/52/1198223352.db2.gz NRNUQRSIFZPOPF-OAHLLOKOSA-N 2 0 330.451 2.347 10 0 EEAERP CC[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1 ZINC001410917205 1198580483 /nfs/dbraw/zinc/58/04/83/1198580483.db2.gz DDEMTWDEVONYLV-GOSISDBHSA-N 2 0 329.488 2.342 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001410930227 1198594663 /nfs/dbraw/zinc/59/46/63/1198594663.db2.gz XBUILBJLXKOYRM-GVDBMIGSSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001410946236 1198612436 /nfs/dbraw/zinc/61/24/36/1198612436.db2.gz AXQOTPPTXSXENU-DLBZAZTESA-N 2 0 348.491 2.234 10 0 EEAERP CCN(CCNCc1cc(C)on1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001273421103 1198774449 /nfs/dbraw/zinc/77/44/49/1198774449.db2.gz RNBHHKPXMJOQHB-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1C[NH+](C)C ZINC000870025875 1200414509 /nfs/dbraw/zinc/41/45/09/1200414509.db2.gz ZVOWNSHILBZXNA-IAGOWNOFSA-N 2 0 340.471 2.046 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1C[NH+](C)C ZINC000870025037 1200414604 /nfs/dbraw/zinc/41/46/04/1200414604.db2.gz LVFKCVDJUSQWJQ-HZPDHXFCSA-N 2 0 337.895 2.080 10 0 EEAERP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870937798 1200966775 /nfs/dbraw/zinc/96/67/75/1200966775.db2.gz BBMSHLCMHVUUOC-CHWSQXEVSA-N 2 0 328.254 2.083 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866411862 1201510868 /nfs/dbraw/zinc/51/08/68/1201510868.db2.gz XNZHHHDYDDKHBP-YZGWKJHDSA-N 2 0 345.531 2.332 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000868006732 1201724819 /nfs/dbraw/zinc/72/48/19/1201724819.db2.gz WVDHGUVIYKBYKP-OALUTQOASA-N 2 0 344.503 2.244 10 0 EEAERP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000886587640 1202528127 /nfs/dbraw/zinc/52/81/27/1202528127.db2.gz CBPPLYIUOVUOQS-MNEFBYGVSA-N 2 0 346.471 2.075 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001274319183 1204996532 /nfs/dbraw/zinc/99/65/32/1204996532.db2.gz YYRUWQBGMZNGEW-WAYWQWQTSA-N 2 0 329.488 2.407 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368594 1205011738 /nfs/dbraw/zinc/01/17/38/1205011738.db2.gz MXALEWXFNZCMNI-WNEUIUNWSA-N 2 0 333.451 2.491 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001275042239 1205243022 /nfs/dbraw/zinc/24/30/22/1205243022.db2.gz DUOYKWWQLKVQSE-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275108317 1205258162 /nfs/dbraw/zinc/25/81/62/1205258162.db2.gz KMRNHBZGQQCWFM-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001275685815 1205484403 /nfs/dbraw/zinc/48/44/03/1205484403.db2.gz WZCONSYAOSCGBO-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275977484 1205614579 /nfs/dbraw/zinc/61/45/79/1205614579.db2.gz SNHBXSQFFLNALJ-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001276000919 1205628058 /nfs/dbraw/zinc/62/80/58/1205628058.db2.gz CEKMHDSTTCKRFP-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001412096407 1205647950 /nfs/dbraw/zinc/64/79/50/1205647950.db2.gz ZOPJMNVDDUFPJL-OTWHNJEPSA-N 2 0 345.462 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(OCCC[NH2+]CC)CC2)C1 ZINC001276170832 1205812427 /nfs/dbraw/zinc/81/24/27/1205812427.db2.gz PTLNHEJWMNUOJY-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC001276179908 1205819310 /nfs/dbraw/zinc/81/93/10/1205819310.db2.gz PAURVFLJDPNRBR-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccns1 ZINC001276257924 1205859333 /nfs/dbraw/zinc/85/93/33/1205859333.db2.gz CZNRNAFRKFFZHP-MRXNPFEDSA-N 2 0 338.521 2.344 10 0 EEAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000924860839 1206042963 /nfs/dbraw/zinc/04/29/63/1206042963.db2.gz GHISSYWSBJWDOP-GOSISDBHSA-N 2 0 334.460 2.055 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925327438 1206097903 /nfs/dbraw/zinc/09/79/03/1206097903.db2.gz QJBSKKZBCUHZTB-QRQLOZEOSA-N 2 0 344.503 2.385 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925480775 1206118051 /nfs/dbraw/zinc/11/80/51/1206118051.db2.gz XCTVHSODBDXQNI-MOPGFXCFSA-N 3 0 347.503 2.003 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cn1 ZINC000925520962 1206122371 /nfs/dbraw/zinc/12/23/71/1206122371.db2.gz YXYPPFLGDDNUFN-WDSOQIARSA-N 2 0 331.508 2.147 10 0 EEAERP Cn1cc(N2CCC[C@@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)cn1 ZINC000925520730 1206122510 /nfs/dbraw/zinc/12/25/10/1206122510.db2.gz XVIMUXWDZMXOCI-MJGOQNOKSA-N 2 0 327.476 2.459 10 0 EEAERP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925581154 1206131801 /nfs/dbraw/zinc/13/18/01/1206131801.db2.gz PZEPGBLZZISRFL-IRXDYDNUSA-N 2 0 333.476 2.466 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH2+]C2(C)C)CCOCC1 ZINC000925836248 1206158711 /nfs/dbraw/zinc/15/87/11/1206158711.db2.gz JHLLKRNJMHWFOI-SFHVURJKSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000925838108 1206158912 /nfs/dbraw/zinc/15/89/12/1206158912.db2.gz KOAMGFBFQVAHHZ-GVDBMIGSSA-N 2 0 329.444 2.425 10 0 EEAERP COc1ccc2c(c1)C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)CC2 ZINC000925846910 1206159604 /nfs/dbraw/zinc/15/96/04/1206159604.db2.gz YEWRWPJFYRKCMC-IBGZPJMESA-N 2 0 331.504 2.218 10 0 EEAERP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851527 1206161023 /nfs/dbraw/zinc/16/10/23/1206161023.db2.gz FYFDXFGXPUVEIG-STQMWFEESA-N 2 0 335.473 2.104 10 0 EEAERP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925859616 1206162580 /nfs/dbraw/zinc/16/25/80/1206162580.db2.gz XEHDNKYENNEISY-HRCADAONSA-N 2 0 338.492 2.101 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925905846 1206166261 /nfs/dbraw/zinc/16/62/61/1206166261.db2.gz KACKAEMMZNCYLF-AEFFLSMTSA-N 2 0 347.507 2.058 10 0 EEAERP C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000926054570 1206186544 /nfs/dbraw/zinc/18/65/44/1206186544.db2.gz IJNKQZFLMJUYCX-INIZCTEOSA-N 2 0 348.495 2.064 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926376563 1206217085 /nfs/dbraw/zinc/21/70/85/1206217085.db2.gz CZQKFVYSHVJPKW-SFHVURJKSA-N 2 0 334.460 2.401 10 0 EEAERP COCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001276327581 1215745831 /nfs/dbraw/zinc/74/58/31/1215745831.db2.gz ZBSSQANAZQEJCK-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(C)C(=O)CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413053011 1223019060 /nfs/dbraw/zinc/01/90/60/1223019060.db2.gz NUVKWCSZTXCRLG-AZUAARDMSA-N 2 0 329.488 2.309 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901360965 1235604509 /nfs/dbraw/zinc/60/45/09/1235604509.db2.gz MKSOAOQTXZTLRW-AEFFLSMTSA-N 2 0 327.472 2.109 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CC(C)C)C2CCOCC2)CC1 ZINC000902747208 1238383926 /nfs/dbraw/zinc/38/39/26/1238383926.db2.gz RNODOTSZJUHJOH-MJGOQNOKSA-N 2 0 325.541 2.443 10 0 EEAERP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505805 1240713606 /nfs/dbraw/zinc/71/36/06/1240713606.db2.gz HRNGDXQDGJKXPT-OTWHNJEPSA-N 2 0 333.520 2.379 10 0 EEAERP CC(C)(C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000903923283 1242515229 /nfs/dbraw/zinc/51/52/29/1242515229.db2.gz PWHAWZBFMXILCT-CQSZACIVSA-N 2 0 331.439 2.409 10 0 EEAERP COc1ccc(C(C)(C)[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1F ZINC000903934674 1242564925 /nfs/dbraw/zinc/56/49/25/1242564925.db2.gz IGVUXVJHYHIXDE-CQSZACIVSA-N 2 0 347.438 2.375 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001491026506 1258593943 /nfs/dbraw/zinc/59/39/43/1258593943.db2.gz ZELFFLHCTDJEBE-IYBDPMFKSA-N 2 0 335.517 2.402 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001491075915 1258641155 /nfs/dbraw/zinc/64/11/55/1258641155.db2.gz TZQKREPHLUYSII-HDICACEKSA-N 2 0 340.471 2.439 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001491073881 1258648417 /nfs/dbraw/zinc/64/84/17/1258648417.db2.gz XHFVRIUHNQQDNE-OKILXGFUSA-N 2 0 325.403 2.043 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001491170229 1258737705 /nfs/dbraw/zinc/73/77/05/1258737705.db2.gz UJRWUNBIUFRBQP-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001491188903 1258754657 /nfs/dbraw/zinc/75/46/57/1258754657.db2.gz YAEOLBTVEURKNY-INIZCTEOSA-N 2 0 337.533 2.461 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491502650 1259152730 /nfs/dbraw/zinc/15/27/30/1259152730.db2.gz AVMVJIBOJHDXBK-ROUUACIJSA-N 2 0 347.503 2.261 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)ccc1C ZINC001491503152 1259153751 /nfs/dbraw/zinc/15/37/51/1259153751.db2.gz FCYVPOFYCYYTNC-DOTOQJQBSA-N 2 0 333.476 2.082 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000850353428 1277195853 /nfs/dbraw/zinc/19/58/53/1277195853.db2.gz CHERBYQHOWSEFN-NSHDSACASA-N 2 0 336.311 2.089 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000851657952 1277704529 /nfs/dbraw/zinc/70/45/29/1277704529.db2.gz RPJPCKFXUPNEKZ-FCGDIQPGSA-N 2 0 344.503 2.304 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001273765258 1285116678 /nfs/dbraw/zinc/11/66/78/1285116678.db2.gz MKHJWECNQASZOJ-SFHVURJKSA-N 2 0 347.503 2.227 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC001488961549 1290289276 /nfs/dbraw/zinc/28/92/76/1290289276.db2.gz JKKYFELSBAOELZ-JKSUJKDBSA-N 2 0 336.480 2.008 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC[NH+](CCCOC(C)C)CC1)[NH+](C)C ZINC001490422506 1291333390 /nfs/dbraw/zinc/33/33/90/1291333390.db2.gz RMAHBMNYWUATNV-KRWDZBQOSA-N 2 0 327.513 2.065 10 0 EEAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490605594 1291515864 /nfs/dbraw/zinc/51/58/64/1291515864.db2.gz HMGUHPWFYGTECL-IDOMTICXSA-N 2 0 331.504 2.409 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cc3ccccc3o2)C2CC2)C1 ZINC001490735932 1291645594 /nfs/dbraw/zinc/64/55/94/1291645594.db2.gz OXXKCFXSNGBWIB-FUHWJXTLSA-N 2 0 341.455 2.369 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000854231284 1292680723 /nfs/dbraw/zinc/68/07/23/1292680723.db2.gz IMLVSALDMPLFQQ-ZDUSSCGKSA-N 2 0 338.883 2.376 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(N)c3)C2)ccn1 ZINC000856585503 1293573281 /nfs/dbraw/zinc/57/32/81/1293573281.db2.gz HSRNTEFCTCGVPJ-GOSISDBHSA-N 2 0 341.459 2.164 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3ccnc3)C2)ccn1 ZINC000856604381 1293580427 /nfs/dbraw/zinc/58/04/27/1293580427.db2.gz WDOWTDNLLCYCGW-IBGZPJMESA-N 2 0 343.475 2.272 10 0 EEAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000858677162 1294189697 /nfs/dbraw/zinc/18/96/97/1294189697.db2.gz SUXRCVQRYKVWSP-RBUKOAKNSA-N 2 0 341.499 2.357 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C)o3)C2)ccn1 ZINC000862424796 1295845566 /nfs/dbraw/zinc/84/55/66/1295845566.db2.gz GGKYPNPSJSVXCQ-QGZVFWFLSA-N 2 0 330.432 2.483 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001491119389 1299610598 /nfs/dbraw/zinc/61/05/98/1299610598.db2.gz DSFHMTMJRFTBGM-OAHLLOKOSA-N 2 0 344.459 2.108 10 0 EEAERP CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001277696385 1304205519 /nfs/dbraw/zinc/20/55/19/1304205519.db2.gz WVHBCBKGFWSTNH-MAUKXSAKSA-N 2 0 345.478 2.385 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491561564 1304828993 /nfs/dbraw/zinc/82/89/93/1304828993.db2.gz YWRBOJPVEHDLLF-QFBILLFUSA-N 2 0 344.503 2.473 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001277892464 1305025895 /nfs/dbraw/zinc/02/58/95/1305025895.db2.gz RKTNYEGTDTZYMZ-CYBMUJFWSA-N 2 0 333.398 2.148 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)n1 ZINC001277925324 1305124328 /nfs/dbraw/zinc/12/43/28/1305124328.db2.gz ZMXZQIRXLBQLNT-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001277942215 1305212393 /nfs/dbraw/zinc/21/23/93/1305212393.db2.gz WDJVEGRREROEKT-OLZOCXBDSA-N 2 0 334.291 2.228 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001278095138 1305926902 /nfs/dbraw/zinc/92/69/02/1305926902.db2.gz UXUONRHUQDOCFN-UHFFFAOYSA-N 2 0 339.524 2.260 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C(F)(F)F ZINC001278705832 1317805521 /nfs/dbraw/zinc/80/55/21/1317805521.db2.gz ZOQHEYQKVSJPJS-UONOGXRCSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCCCCF ZINC001264724651 1322792499 /nfs/dbraw/zinc/79/24/99/1322792499.db2.gz BXAMJMIARXRCRT-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cnoc1C ZINC001265147965 1322948572 /nfs/dbraw/zinc/94/85/72/1322948572.db2.gz QGCNPIMCQRLBOG-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP CCCCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265386752 1323113997 /nfs/dbraw/zinc/11/39/97/1323113997.db2.gz MEDQVUJGHTZQGC-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001265499128 1323184069 /nfs/dbraw/zinc/18/40/69/1323184069.db2.gz VXJUKTNHRUHQGX-TVFCKZIOSA-N 2 0 337.508 2.057 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001265498861 1323184734 /nfs/dbraw/zinc/18/47/34/1323184734.db2.gz KFOBWBORSJWKOH-VQHPVUNQSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001265543143 1323213377 /nfs/dbraw/zinc/21/33/77/1323213377.db2.gz DLFNDKUJYKDMBB-CALCHBBNSA-N 2 0 345.487 2.095 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCOC)C1 ZINC001265652233 1323297333 /nfs/dbraw/zinc/29/73/33/1323297333.db2.gz TWVXHWBBPNGNCK-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(F)c1F ZINC001265917400 1323484104 /nfs/dbraw/zinc/48/41/04/1323484104.db2.gz NBGBXYBDVCGCLN-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001265932102 1323496942 /nfs/dbraw/zinc/49/69/42/1323496942.db2.gz DWNUCHYAYTVPSZ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265971430 1323532559 /nfs/dbraw/zinc/53/25/59/1323532559.db2.gz MXOKBZIBRBSXEN-ZFWWWQNUSA-N 2 0 339.430 2.416 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1 ZINC001266155518 1323724797 /nfs/dbraw/zinc/72/47/97/1323724797.db2.gz ONXFEFPXSHUEKP-WMZOPIPTSA-N 2 0 333.476 2.034 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1cncs1 ZINC001266203684 1323767728 /nfs/dbraw/zinc/76/77/28/1323767728.db2.gz HYXCFQYGEOECOW-GOEBONIOSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)OCC[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001279637232 1323968284 /nfs/dbraw/zinc/96/82/84/1323968284.db2.gz VGOBTVJKOAWPMF-UHFFFAOYSA-N 2 0 339.524 2.138 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1F ZINC001280186702 1324108301 /nfs/dbraw/zinc/10/83/01/1324108301.db2.gz SKGSGAOCMUOJCF-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCCOC ZINC001281968439 1325541924 /nfs/dbraw/zinc/54/19/24/1325541924.db2.gz NCHMGWCAILAOCR-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP O=C(NC1(C[NH2+]CCCF)CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001282606731 1325751033 /nfs/dbraw/zinc/75/10/33/1325751033.db2.gz BPNCQOKKOBBUKZ-INIZCTEOSA-N 2 0 325.472 2.097 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001283147759 1325934950 /nfs/dbraw/zinc/93/49/50/1325934950.db2.gz XLRKDLQFBGUYMS-HIFRSBDPSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1ncoc1C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283259183 1325976038 /nfs/dbraw/zinc/97/60/38/1325976038.db2.gz FNWWHTXOMCQDCR-OAHLLOKOSA-N 2 0 336.480 2.089 10 0 EEAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001491951541 1330343250 /nfs/dbraw/zinc/34/32/50/1330343250.db2.gz IXOIDXASPQIVPQ-MAUKXSAKSA-N 2 0 345.478 2.481 10 0 EEAERP C[N@H+](CCOc1ccccc1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491965278 1330360397 /nfs/dbraw/zinc/36/03/97/1330360397.db2.gz JEQCJGVQOYXFRK-GOSISDBHSA-N 2 0 345.487 2.084 10 0 EEAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(F)cn1 ZINC001492068079 1330441430 /nfs/dbraw/zinc/44/14/30/1330441430.db2.gz SWSPQNLHGQLAOO-AWEZNQCLSA-N 2 0 336.455 2.080 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1C[C@@H]1CCCCO1 ZINC001492177502 1331056140 /nfs/dbraw/zinc/05/61/40/1331056140.db2.gz HDZIFEYZYFAOGS-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(CC[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001316830961 1331320328 /nfs/dbraw/zinc/32/03/28/1331320328.db2.gz UUZNUYIRPZKCCH-UHFFFAOYSA-N 2 0 331.504 2.460 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001316738174 1331867103 /nfs/dbraw/zinc/86/71/03/1331867103.db2.gz KFIYFDWIJXVLKZ-RCCFBDPRSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882113 1331948933 /nfs/dbraw/zinc/94/89/33/1331948933.db2.gz XLYPPYRPLXIFKA-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](Cc2cccnc2)C2CC2)CC[N@@H+]1C ZINC001316916789 1331983393 /nfs/dbraw/zinc/98/33/93/1331983393.db2.gz RWFWDILTEGULHN-RBUKOAKNSA-N 2 0 344.503 2.283 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CCCCC(F)(F)F)C2)CC1 ZINC001317334414 1332183414 /nfs/dbraw/zinc/18/34/14/1332183414.db2.gz RVPDJUKEJYQQCZ-AWEZNQCLSA-N 2 0 349.441 2.499 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1N(C)C ZINC001317586978 1332310908 /nfs/dbraw/zinc/31/09/08/1332310908.db2.gz SQVXDXVJMRDSGD-LJQANCHMSA-N 2 0 346.519 2.173 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001317589817 1332312596 /nfs/dbraw/zinc/31/25/96/1332312596.db2.gz UDQRHAIJSBQEHU-RBSFLKMASA-N 2 0 331.451 2.200 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)CC[NH+](C)C ZINC001317624488 1332333890 /nfs/dbraw/zinc/33/38/90/1332333890.db2.gz WSTLMFXHSJFORK-UHFFFAOYSA-N 2 0 331.382 2.205 10 0 EEAERP CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCOC)C1 ZINC001317759867 1332400141 /nfs/dbraw/zinc/40/01/41/1332400141.db2.gz UXVDTTCLUBPAFH-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001318412081 1332527941 /nfs/dbraw/zinc/52/79/41/1332527941.db2.gz FVSNYMCWQDRQES-KRWDZBQOSA-N 2 0 344.459 2.216 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001318714132 1332582532 /nfs/dbraw/zinc/58/25/32/1332582532.db2.gz QDNQZJFOEAYTHO-OAHLLOKOSA-N 2 0 335.414 2.155 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)on1 ZINC001318896670 1332620090 /nfs/dbraw/zinc/62/00/90/1332620090.db2.gz WKVDCOCUOHPABH-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001318938467 1332626678 /nfs/dbraw/zinc/62/66/78/1332626678.db2.gz VWSNLNSEADORQU-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](O)CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001318996152 1332634302 /nfs/dbraw/zinc/63/43/02/1332634302.db2.gz OEZDRHXLRBUPAN-LPHOPBHVSA-N 2 0 347.503 2.038 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319514148 1332715167 /nfs/dbraw/zinc/71/51/67/1332715167.db2.gz HPHRQTZVUTUMCI-YJBOKZPZSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@@H](CC[NH2+]CCCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320414951 1332878018 /nfs/dbraw/zinc/87/80/18/1332878018.db2.gz NJRJMBIFPOLALF-PXNSSMCTSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001320530224 1332904164 /nfs/dbraw/zinc/90/41/64/1332904164.db2.gz RQWMQGWHXCTENQ-RYRKJORJSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)sc1C ZINC001320549240 1332907861 /nfs/dbraw/zinc/90/78/61/1332907861.db2.gz PMBKNPIYTIEYMV-QWHCGFSZSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001320587013 1332915662 /nfs/dbraw/zinc/91/56/62/1332915662.db2.gz JIRRVVXKVJLCKC-CQSZACIVSA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1oc(C)nc1C ZINC001320643517 1332927689 /nfs/dbraw/zinc/92/76/89/1332927689.db2.gz FSTPARYTVPRAMF-BBRMVZONSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(COC)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320769126 1332949154 /nfs/dbraw/zinc/94/91/54/1332949154.db2.gz AZNNEURCTIYVIF-LJQANCHMSA-N 2 0 347.503 2.255 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320892083 1332973358 /nfs/dbraw/zinc/97/33/58/1332973358.db2.gz YSWILYFBGKOQJO-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc(F)c1 ZINC001321064751 1333009331 /nfs/dbraw/zinc/00/93/31/1333009331.db2.gz OPVVCLLWOCHTFF-JLDDFQMGSA-N 2 0 345.462 2.491 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001321334541 1333076635 /nfs/dbraw/zinc/07/66/35/1333076635.db2.gz BDGGNEVYPCQOJT-ARJAWSKDSA-N 2 0 333.398 2.077 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322549350 1333281173 /nfs/dbraw/zinc/28/11/73/1333281173.db2.gz MQCQBDHBAFANSK-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c2cnccn2)C1 ZINC001322658095 1333301844 /nfs/dbraw/zinc/30/18/44/1333301844.db2.gz RZDFTRGPZUUZNJ-IAGOWNOFSA-N 2 0 347.507 2.098 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001324224680 1333638480 /nfs/dbraw/zinc/63/84/80/1333638480.db2.gz DMLFMRZZUUNMNT-QUCCMNQESA-N 2 0 343.515 2.460 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1)[NH+](C)C ZINC001324261278 1333644829 /nfs/dbraw/zinc/64/48/29/1333644829.db2.gz OYBBONFCWNLZBN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001324340365 1333661791 /nfs/dbraw/zinc/66/17/91/1333661791.db2.gz SYVQAJVTHLRHMM-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCC1)C1CCC1 ZINC001324483878 1333692796 /nfs/dbraw/zinc/69/27/96/1333692796.db2.gz UHNONEFUTBXYBK-YKXBDCQTSA-N 2 0 327.900 2.488 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC(F)(F)F)CC2)C1 ZINC001325678965 1333939420 /nfs/dbraw/zinc/93/94/20/1333939420.db2.gz FXJDYLMTFQYWDA-RBSFLKMASA-N 2 0 349.441 2.403 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2C1)[NH+](C)C ZINC001325773109 1333958372 /nfs/dbraw/zinc/95/83/72/1333958372.db2.gz UWDCQQJYIFVYDX-QLFBSQMISA-N 2 0 349.441 2.449 10 0 EEAERP Cc1c(C(=O)NCC2([NH2+]CCC[C@H](C)O)CCC2)ccc2c[nH+]cn21 ZINC001326844292 1334169149 /nfs/dbraw/zinc/16/91/49/1334169149.db2.gz DIVDHRAXGLTFIG-AWEZNQCLSA-N 2 0 344.459 2.046 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001327661959 1334329877 /nfs/dbraw/zinc/32/98/77/1334329877.db2.gz OHDUVQCDXFJEPE-QGZVFWFLSA-N 2 0 339.524 2.306 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCOc1ccccc1 ZINC001329443400 1334652409 /nfs/dbraw/zinc/65/24/09/1334652409.db2.gz ZYKLKYSZSALADF-YQVWRLOYSA-N 2 0 347.503 2.232 10 0 EEAERP COCCCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001330210886 1334804803 /nfs/dbraw/zinc/80/48/03/1334804803.db2.gz RIYBNGKQPSDMEZ-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001330976524 1334939433 /nfs/dbraw/zinc/93/94/33/1334939433.db2.gz JLFYZVHTGRVOGE-HIFRSBDPSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC[C@H]2CCOC2)CC1 ZINC001331069572 1334957208 /nfs/dbraw/zinc/95/72/08/1334957208.db2.gz ZPRZQZWLMAJRLJ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001332279628 1335789696 /nfs/dbraw/zinc/78/96/96/1335789696.db2.gz IGBNMMBWNSGYTR-CABCVRRESA-N 2 0 327.488 2.483 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCCCCF)C(C)(C)C2)C1 ZINC001332435913 1335823729 /nfs/dbraw/zinc/82/37/29/1335823729.db2.gz BWYDDQNZSLJPTD-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C\c1ccncc1 ZINC000847419340 1338046822 /nfs/dbraw/zinc/04/68/22/1338046822.db2.gz SPNWXGOQPCCXTO-QQSJCBEGSA-N 2 0 344.503 2.359 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001668214855 1355900635 /nfs/dbraw/zinc/90/06/35/1355900635.db2.gz QNPJKUVANOSVIQ-OLZOCXBDSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001436353846 1342047025 /nfs/dbraw/zinc/04/70/25/1342047025.db2.gz JHJDBANOWPTQCE-KCQAQPDRSA-N 2 0 339.430 2.462 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001670248822 1356304497 /nfs/dbraw/zinc/30/44/97/1356304497.db2.gz IHAAFTFGKPLWPQ-OAHLLOKOSA-N 2 0 338.496 2.460 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500273230 1342126710 /nfs/dbraw/zinc/12/67/10/1342126710.db2.gz STJRYVFSGXHPHG-SFFCAUCYSA-N 2 0 337.508 2.034 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001674146352 1356798236 /nfs/dbraw/zinc/79/82/36/1356798236.db2.gz DDWQROPNKOMHIU-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP COCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567172614 1342704026 /nfs/dbraw/zinc/70/40/26/1342704026.db2.gz OYZHEMURBGLYST-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001567265770 1342728325 /nfs/dbraw/zinc/72/83/25/1342728325.db2.gz BHVYFXXPZJCZPN-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cccnc1C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001567381791 1342749956 /nfs/dbraw/zinc/74/99/56/1342749956.db2.gz ATXCHSSERGUMJU-QGZVFWFLSA-N 2 0 332.492 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1 ZINC001567504371 1342773706 /nfs/dbraw/zinc/77/37/06/1342773706.db2.gz HWZHAVYZTARNPM-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)c1ccccc1CC[NH+](C)C ZINC001567535895 1342781416 /nfs/dbraw/zinc/78/14/16/1342781416.db2.gz QZBVSVLCYFNNCU-SFHVURJKSA-N 2 0 347.503 2.021 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001567610856 1342793186 /nfs/dbraw/zinc/79/31/86/1342793186.db2.gz MRWVSNKMDPIXHI-KBPBESRZSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCOCC1 ZINC001569730771 1342935820 /nfs/dbraw/zinc/93/58/20/1342935820.db2.gz SZUQHQYZIUGFIM-ROUUACIJSA-N 2 0 349.519 2.225 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCF)C1 ZINC001569861086 1342960275 /nfs/dbraw/zinc/96/02/75/1342960275.db2.gz NRALYQCNQAGYFX-FJIDUMEYSA-N 2 0 339.499 2.437 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001570004475 1342996373 /nfs/dbraw/zinc/99/63/73/1342996373.db2.gz JLESBOVPYBXABH-UONOGXRCSA-N 2 0 348.318 2.475 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001676114423 1357108243 /nfs/dbraw/zinc/10/82/43/1357108243.db2.gz KDSKWZSBFRSCHH-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001676957898 1357249050 /nfs/dbraw/zinc/24/90/50/1357249050.db2.gz FBPGSEBGJUEZGA-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001676973951 1357252804 /nfs/dbraw/zinc/25/28/04/1357252804.db2.gz CVIDKAUSKBTMNZ-COXDATCZSA-N 2 0 327.900 2.489 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccc(F)cc1 ZINC001645853256 1352805105 /nfs/dbraw/zinc/80/51/05/1352805105.db2.gz JNAUBWDGYLOGCO-NCOADZHNSA-N 2 0 334.439 2.140 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001645944743 1352810659 /nfs/dbraw/zinc/81/06/59/1352810659.db2.gz GNEDPFRJDOMCSC-ZACQAIPSSA-N 2 0 336.455 2.244 10 0 EEAERP CC1(C)CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC(C)(C)[NH2+]1 ZINC001646929943 1353053431 /nfs/dbraw/zinc/05/34/31/1353053431.db2.gz KGBHPLOYAQEHNF-UHFFFAOYSA-N 2 0 336.524 2.423 10 0 EEAERP c1ccc(N2CCOCC2)c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001650015861 1353689043 /nfs/dbraw/zinc/68/90/43/1353689043.db2.gz WJPLSJGIBNMLKO-HXUWFJFHSA-N 2 0 329.488 2.489 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001657076387 1354317854 /nfs/dbraw/zinc/31/78/54/1354317854.db2.gz VORHAHRQUZGUFW-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001660476248 1354470658 /nfs/dbraw/zinc/47/06/58/1354470658.db2.gz UFWFNXJMXSPRNU-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCc3cccc(F)c3)C2)CC1 ZINC001661342450 1354629389 /nfs/dbraw/zinc/62/93/89/1354629389.db2.gz POGNNLIRFDOJSN-IBGZPJMESA-N 2 0 347.478 2.291 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001661817979 1354702121 /nfs/dbraw/zinc/70/21/21/1354702121.db2.gz GFYOSPLOUXOXPZ-AZUAARDMSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@H](C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001662691284 1354826940 /nfs/dbraw/zinc/82/69/40/1354826940.db2.gz SEADBBGSFQMOKU-CGMDNHBQSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663067012 1354906911 /nfs/dbraw/zinc/90/69/11/1354906911.db2.gz OVQGYVUBBYFRPB-KBAYOESNSA-N 2 0 348.491 2.184 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1)C12CC[NH+](CC1)C2 ZINC001663119142 1354920616 /nfs/dbraw/zinc/92/06/16/1354920616.db2.gz CZIWWJWZVRVNNQ-GOSISDBHSA-N 2 0 342.487 2.038 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001663856125 1355043322 /nfs/dbraw/zinc/04/33/22/1355043322.db2.gz QAUZDQOIPMWSBD-RRGNZLCHSA-N 2 0 345.487 2.241 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCOC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001664032526 1355077636 /nfs/dbraw/zinc/07/76/36/1355077636.db2.gz CDMAMBLXFPTVQG-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001664036511 1355079054 /nfs/dbraw/zinc/07/90/54/1355079054.db2.gz JHUIWKIEVPTGGG-INIZCTEOSA-N 2 0 338.521 2.120 10 0 EEAERP CN(CC[NH2+]CCCc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664370125 1355148321 /nfs/dbraw/zinc/14/83/21/1355148321.db2.gz YKOAYFYSXNMPKF-INIZCTEOSA-N 2 0 337.895 2.272 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCCCC(F)(F)F)C2)CC[N@@H+]1C ZINC001665320737 1355292411 /nfs/dbraw/zinc/29/24/11/1355292411.db2.gz TVJVYVBGJONPAJ-ZFWWWQNUSA-N 2 0 349.441 2.497 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001666291234 1355504208 /nfs/dbraw/zinc/50/42/08/1355504208.db2.gz ULDGRCKWLPAJIX-BRSBDYLESA-N 2 0 337.508 2.057 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCCF ZINC001667210467 1355675000 /nfs/dbraw/zinc/67/50/00/1355675000.db2.gz JFNUNMJTIMNCRE-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001667759256 1355808335 /nfs/dbraw/zinc/80/83/35/1355808335.db2.gz WLKJLCIUUAQOFW-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001668234046 1355905140 /nfs/dbraw/zinc/90/51/40/1355905140.db2.gz CCKORPCQCHHVRR-MRXNPFEDSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001668234978 1355905584 /nfs/dbraw/zinc/90/55/84/1355905584.db2.gz UVQXMFQEVOEHRX-HOTGVXAUSA-N 2 0 347.507 2.034 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC/C=C\c1ccccc1 ZINC001668978638 1356058951 /nfs/dbraw/zinc/05/89/51/1356058951.db2.gz LJRKYOGXIKWCME-LFDWFPKFSA-N 2 0 327.472 2.446 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669182230 1356118243 /nfs/dbraw/zinc/11/82/43/1356118243.db2.gz AXAVSFJYWBXMAF-FAAWYNLUSA-N 2 0 329.435 2.026 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001669293114 1356141353 /nfs/dbraw/zinc/14/13/53/1356141353.db2.gz JKHBTNDOBUHBJU-NZSAHSFTSA-N 2 0 347.503 2.198 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001669559403 1356174881 /nfs/dbraw/zinc/17/48/81/1356174881.db2.gz NEJRZVQBZBOMOQ-RCCFBDPRSA-N 2 0 347.503 2.117 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cncs1 ZINC001670158335 1356287630 /nfs/dbraw/zinc/28/76/30/1356287630.db2.gz QOFGBHWJQILODG-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670276089 1356310008 /nfs/dbraw/zinc/31/00/08/1356310008.db2.gz UATLGESRBWZSJV-IEBWSBKVSA-N 2 0 344.503 2.345 10 0 EEAERP CCOCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001672320700 1356501004 /nfs/dbraw/zinc/50/10/04/1356501004.db2.gz MVVONYQVAQILRB-LPHOPBHVSA-N 2 0 347.503 2.082 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)co1 ZINC001672810659 1356589978 /nfs/dbraw/zinc/58/99/78/1356589978.db2.gz QFMNIWKDRKGXRS-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001672839699 1356597658 /nfs/dbraw/zinc/59/76/58/1356597658.db2.gz PODNHPAAKNMNNS-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001672857642 1356600444 /nfs/dbraw/zinc/60/04/44/1356600444.db2.gz CXVDRYNMWVAERA-SFHVURJKSA-N 2 0 335.467 2.436 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCCCCF)CC2)C1 ZINC001673402097 1356686955 /nfs/dbraw/zinc/68/69/55/1356686955.db2.gz OSFXNQRYKHUCKR-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cncs1 ZINC001691751822 1356863647 /nfs/dbraw/zinc/86/36/47/1356863647.db2.gz RTZWCXMIXDPGDZ-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(NC1(C[NH2+]CCF)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001675185487 1356943382 /nfs/dbraw/zinc/94/33/82/1356943382.db2.gz XXMXAJJYNISRJX-CVEARBPZSA-N 2 0 325.472 2.382 10 0 EEAERP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001675517110 1356998806 /nfs/dbraw/zinc/99/88/06/1356998806.db2.gz HQIAJKWIXJBKRU-CADBVGFASA-N 2 0 333.520 2.203 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001698856065 1405111810 /nfs/dbraw/zinc/11/18/10/1405111810.db2.gz JGLUHWAWVQKQFI-XJKSGUPXSA-N 2 0 340.899 2.258 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001698919656 1405160916 /nfs/dbraw/zinc/16/09/16/1405160916.db2.gz DMRQVEWKQSACPQ-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CC[NH2+]CC[C@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699101820 1405254520 /nfs/dbraw/zinc/25/45/20/1405254520.db2.gz XQGJGTMWYSGBOA-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001699106054 1405260411 /nfs/dbraw/zinc/26/04/11/1405260411.db2.gz ZEKCSJDQXMPMAB-NSHDSACASA-N 2 0 344.912 2.265 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001699292756 1405322899 /nfs/dbraw/zinc/32/28/99/1405322899.db2.gz WCMIHKDKCMCGLT-VGOKWCNXSA-N 2 0 337.508 2.082 10 0 EEAERP Cc1ccc2sc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)nc2c1 ZINC001699297977 1405329812 /nfs/dbraw/zinc/32/98/12/1405329812.db2.gz HJZZESRZFUBJFS-PLNGDYQASA-N 2 0 346.500 2.318 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)C[NH+]1CCCC1 ZINC001699550051 1405385436 /nfs/dbraw/zinc/38/54/36/1405385436.db2.gz DCMIRWDSAAZLOI-GOSISDBHSA-N 2 0 333.451 2.347 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCCCO1 ZINC001699553675 1405392546 /nfs/dbraw/zinc/39/25/46/1405392546.db2.gz FNXGQOOVZNPCNG-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001699843592 1405523265 /nfs/dbraw/zinc/52/32/65/1405523265.db2.gz AAWVDXYPBNKHCL-SJLPKXTDSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834955 778985963 /nfs/dbraw/zinc/98/59/63/778985963.db2.gz KBIKPDLXGSHURQ-VIFPVBQESA-N 2 0 327.354 2.452 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000818991182 785356085 /nfs/dbraw/zinc/35/60/85/785356085.db2.gz YKJZWGVLFSJBLF-SFHVURJKSA-N 2 0 336.476 2.449 10 0 EEAERP COCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819006919 785360189 /nfs/dbraw/zinc/36/01/89/785360189.db2.gz NVJUZRNNWBLVRK-KRWDZBQOSA-N 2 0 326.868 2.464 10 0 EEAERP CSC1(C[NH2+]C[C@H](O)c2cc(F)ccc2F)CC[NH+](C)CC1 ZINC000819322455 785506889 /nfs/dbraw/zinc/50/68/89/785506889.db2.gz UAOULJBYKKSKNE-HNNXBMFYSA-N 2 0 330.444 2.415 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000825148493 788457791 /nfs/dbraw/zinc/45/77/91/788457791.db2.gz YLLXHCDKJFISMF-PXNYIJGASA-N 2 0 343.515 2.373 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915362 788473164 /nfs/dbraw/zinc/47/31/64/788473164.db2.gz FPKBWVFJXPIRFA-CQSZACIVSA-N 2 0 327.428 2.415 10 0 EEAERP CC[NH+](CC)CCCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000844166293 788881500 /nfs/dbraw/zinc/88/15/00/788881500.db2.gz CTNGVJPFKUIBDL-AWEZNQCLSA-N 2 0 326.872 2.281 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921531605 789050809 /nfs/dbraw/zinc/05/08/09/789050809.db2.gz YRMXXBFOOTZUBI-LBPRGKRZSA-N 2 0 325.888 2.056 10 0 EEAERP Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923314009 789352656 /nfs/dbraw/zinc/35/26/56/789352656.db2.gz PDZORZCCWJGWRW-PMACEKPBSA-N 2 0 344.499 2.397 10 0 EEAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923390074 789474798 /nfs/dbraw/zinc/47/47/98/789474798.db2.gz AZYRBLHVSSJFSD-JRBPQWBISA-N 2 0 348.487 2.096 10 0 EEAERP COc1ccccc1NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000923446062 789556231 /nfs/dbraw/zinc/55/62/31/789556231.db2.gz ZGKXGBJRIIYRDW-PMPSAXMXSA-N 2 0 331.460 2.473 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000923452412 789585151 /nfs/dbraw/zinc/58/51/51/789585151.db2.gz GSMFORHQUOWXMV-GOSISDBHSA-N 2 0 326.444 2.202 10 0 EEAERP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC000923505281 789689222 /nfs/dbraw/zinc/68/92/22/789689222.db2.gz ZVPLXAAFBQTALG-CABCVRRESA-N 2 0 349.475 2.339 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921604247 789826859 /nfs/dbraw/zinc/82/68/59/789826859.db2.gz QBPMJWMBKIBEHV-BHIYHBOVSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@@]1(CNC(=O)NCCC2(C[NH3+])CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000846166316 790068864 /nfs/dbraw/zinc/06/88/64/790068864.db2.gz VHIMAANUPGMIDY-IBGZPJMESA-N 2 0 344.503 2.327 10 0 EEAERP Cn1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000712488054 794510184 /nfs/dbraw/zinc/51/01/84/794510184.db2.gz MVWKFTOVPWNPMI-UHFFFAOYSA-N 2 0 348.878 2.190 10 0 EEAERP CCN1CCO[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716680752 796442622 /nfs/dbraw/zinc/44/26/22/796442622.db2.gz UJUWANVDZSRKFL-TUFLPTIASA-N 2 0 343.515 2.350 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922731207 801781644 /nfs/dbraw/zinc/78/16/44/801781644.db2.gz XNHLHSIJXLTZBX-HOJAQTOUSA-N 2 0 346.471 2.055 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001566072273 1125545543 /nfs/dbraw/zinc/54/55/43/1125545543.db2.gz RWLXUYRHJWOQOI-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1nc2ccccc2o1)[NH+](C)C ZINC001566510723 1125681229 /nfs/dbraw/zinc/68/12/29/1125681229.db2.gz ORUCPQJADIWDHQ-SFHVURJKSA-N 2 0 346.475 2.352 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cnc(C)s1 ZINC001566550993 1125721156 /nfs/dbraw/zinc/72/11/56/1125721156.db2.gz ZKCSMQOZNHQUMI-CZUORRHYSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001566565573 1125740694 /nfs/dbraw/zinc/74/06/94/1125740694.db2.gz WBLKUHPYIKPOKH-DOTOQJQBSA-N 2 0 347.507 2.016 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001436417977 1087776439 /nfs/dbraw/zinc/77/64/39/1087776439.db2.gz SUAZXBLMAKUVLS-JKSUJKDBSA-N 2 0 348.491 2.150 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001436455706 1087902259 /nfs/dbraw/zinc/90/22/59/1087902259.db2.gz CFRMAKQEPUWHDD-WTGAGXSVSA-N 2 0 341.499 2.432 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001436484295 1087975875 /nfs/dbraw/zinc/97/58/75/1087975875.db2.gz MWTOENSJLBUJPJ-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC001436760976 1088280394 /nfs/dbraw/zinc/28/03/94/1088280394.db2.gz USYQUUOPXBFRTN-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC001436818936 1088413907 /nfs/dbraw/zinc/41/39/07/1088413907.db2.gz KOYVSVMJCCICQY-QGZVFWFLSA-N 2 0 329.444 2.369 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001436875718 1088526694 /nfs/dbraw/zinc/52/66/94/1088526694.db2.gz LPHOTUXZNTVGEL-DOTOQJQBSA-N 2 0 336.480 2.048 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CCF)CC[C@@H]21)CC(C)(C)C ZINC001436947012 1088630727 /nfs/dbraw/zinc/63/07/27/1088630727.db2.gz VDXPKWAFXWSPNB-HOTGVXAUSA-N 2 0 327.488 2.247 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437132230 1089121943 /nfs/dbraw/zinc/12/19/43/1089121943.db2.gz QERVCBYRKYQRGU-KDOFPFPSSA-N 2 0 333.451 2.070 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC(F)(F)C1 ZINC001437176865 1089208365 /nfs/dbraw/zinc/20/83/65/1089208365.db2.gz ZCPXVRVKAJFAAO-CYBMUJFWSA-N 2 0 329.435 2.002 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001437199466 1089259681 /nfs/dbraw/zinc/25/96/81/1089259681.db2.gz MKRYRQIRIZGFSF-OAHLLOKOSA-N 2 0 332.492 2.141 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437212900 1089292068 /nfs/dbraw/zinc/29/20/68/1089292068.db2.gz HMOCZMXIJLSVBM-DZGCQCFKSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001437233762 1089329533 /nfs/dbraw/zinc/32/95/33/1089329533.db2.gz GGFAQKZNDWQAJY-SJCJKPOMSA-N 2 0 349.425 2.142 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC001437393801 1089646001 /nfs/dbraw/zinc/64/60/01/1089646001.db2.gz BUYHAFPUXLAZHU-GDBMZVCRSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1 ZINC001437413551 1089696837 /nfs/dbraw/zinc/69/68/37/1089696837.db2.gz YSKAYQZZFOQTAO-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)c1ncc(C)o1 ZINC001437621364 1090133577 /nfs/dbraw/zinc/13/35/77/1090133577.db2.gz WMHDMYVGCKXSBT-IMJJTQAJSA-N 2 0 336.480 2.212 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001437723258 1090276067 /nfs/dbraw/zinc/27/60/67/1090276067.db2.gz DPJJKZQRTPLYTA-UYAOXDASSA-N 2 0 343.515 2.317 10 0 EEAERP Cc1cncc(C[N@H+](CCNC(=O)C(C)(C)[NH+]2CCCC2)C2CC2)c1 ZINC001437799242 1090385436 /nfs/dbraw/zinc/38/54/36/1090385436.db2.gz QZBJCGNBONZGMO-UHFFFAOYSA-N 2 0 344.503 2.345 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001437853450 1090434922 /nfs/dbraw/zinc/43/49/22/1090434922.db2.gz ZWSBLHSEOKINDQ-MAUKXSAKSA-N 2 0 333.476 2.289 10 0 EEAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001437914038 1090497108 /nfs/dbraw/zinc/49/71/08/1090497108.db2.gz WBJPHMJMWWEJRL-CQSZACIVSA-N 2 0 347.425 2.348 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001437940259 1090533085 /nfs/dbraw/zinc/53/30/85/1090533085.db2.gz MGYCBLICSWUIJZ-QAPCUYQASA-N 2 0 345.478 2.387 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001437973589 1090564384 /nfs/dbraw/zinc/56/43/84/1090564384.db2.gz CWTJMRGSVGVCFG-SJORKVTESA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437976903 1090568426 /nfs/dbraw/zinc/56/84/26/1090568426.db2.gz HBMUCXULEVKGIW-HOTGVXAUSA-N 2 0 325.472 2.143 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccnn1C ZINC001438334878 1090809540 /nfs/dbraw/zinc/80/95/40/1090809540.db2.gz UMJFZBLYGQLAID-OAHLLOKOSA-N 2 0 349.523 2.058 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]Cc2ccsc2)C2CC2)C1 ZINC001438427330 1090924413 /nfs/dbraw/zinc/92/44/13/1090924413.db2.gz WSYZPOADSGSIMX-RDTXWAMCSA-N 2 0 335.517 2.464 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001438453511 1090961666 /nfs/dbraw/zinc/96/16/66/1090961666.db2.gz PLPWAZLXFGFWDV-OAHLLOKOSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001438615132 1091104552 /nfs/dbraw/zinc/10/45/52/1091104552.db2.gz ZQTRVDQHZGMOOB-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438668771 1091157592 /nfs/dbraw/zinc/15/75/92/1091157592.db2.gz VGMZOXFMFQQSJQ-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001438709399 1091224882 /nfs/dbraw/zinc/22/48/82/1091224882.db2.gz AASAEWHEDIUWPQ-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)s1 ZINC001445543947 1091311790 /nfs/dbraw/zinc/31/17/90/1091311790.db2.gz AENCSQYNRKIQLH-YVEFUNNKSA-N 2 0 335.517 2.301 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC001445550754 1091321381 /nfs/dbraw/zinc/32/13/81/1091321381.db2.gz ZCFWXTSMLKWVQO-WFASDCNBSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438847921 1091485307 /nfs/dbraw/zinc/48/53/07/1091485307.db2.gz QBCOVFAJXMJLAS-HZPDHXFCSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445865566 1091787049 /nfs/dbraw/zinc/78/70/49/1091787049.db2.gz GNMFTBTVKXEFSJ-GOEBONIOSA-N 2 0 337.895 2.271 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001445877593 1091804372 /nfs/dbraw/zinc/80/43/72/1091804372.db2.gz YTSHQXLUZBAWII-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001445887846 1091815697 /nfs/dbraw/zinc/81/56/97/1091815697.db2.gz CTUSIFFBDNEVCW-GDBMZVCRSA-N 2 0 338.521 2.250 10 0 EEAERP COc1cc(Cl)ccc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439282763 1091941211 /nfs/dbraw/zinc/94/12/11/1091941211.db2.gz MWQFODXQBRMAFY-ZDUSSCGKSA-N 2 0 339.867 2.039 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001439330329 1092017750 /nfs/dbraw/zinc/01/77/50/1092017750.db2.gz YLYHBDUIAAJDHB-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP C[C@H](C[N@H+](C)CCOc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439351417 1092062978 /nfs/dbraw/zinc/06/29/78/1092062978.db2.gz FHFNIQYIXVYXGW-QGZVFWFLSA-N 2 0 347.503 2.376 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001439414977 1092183668 /nfs/dbraw/zinc/18/36/68/1092183668.db2.gz CUTFTFITASANSX-WMZOPIPTSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccccc1F ZINC001446168093 1092224112 /nfs/dbraw/zinc/22/41/12/1092224112.db2.gz OFSXFFILQYVLOZ-SQWLQELKSA-N 2 0 333.451 2.465 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCc3ccccc32)CC1 ZINC001439545077 1092412873 /nfs/dbraw/zinc/41/28/73/1092412873.db2.gz JPKVMZDCVBZPFN-SJLPKXTDSA-N 2 0 327.472 2.206 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001446295527 1092459439 /nfs/dbraw/zinc/45/94/39/1092459439.db2.gz RBLMWHGABFRWJO-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001439624680 1092537229 /nfs/dbraw/zinc/53/72/29/1092537229.db2.gz YTXCUJWZUQROIW-KRWDZBQOSA-N 2 0 330.476 2.003 10 0 EEAERP CC1(CNC(=O)C23CC[NH+](CC2)C3)CC[NH+](C/C=C\Cl)CC1 ZINC001439925996 1093005238 /nfs/dbraw/zinc/00/52/38/1093005238.db2.gz QQFDXPFCPPBKJE-UQCOIBPSSA-N 2 0 325.884 2.053 10 0 EEAERP C[C@]1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC[N@H+](CCC2CC2)C1 ZINC001439932547 1093018220 /nfs/dbraw/zinc/01/82/20/1093018220.db2.gz FRQRGUSKVMMDGQ-UYAOXDASSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001439943958 1093049696 /nfs/dbraw/zinc/04/96/96/1093049696.db2.gz NULMATXBDVAZRO-WMZOPIPTSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001440152380 1093212960 /nfs/dbraw/zinc/21/29/60/1093212960.db2.gz UTWRRGGRJJVCSU-BBWFWOEESA-N 2 0 325.472 2.001 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001440493935 1093732281 /nfs/dbraw/zinc/73/22/81/1093732281.db2.gz BSOGQZFCTTWEMV-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001448712631 1093784815 /nfs/dbraw/zinc/78/48/15/1093784815.db2.gz DSHVNNGZCGUZNG-OAHLLOKOSA-N 2 0 334.508 2.402 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CC[NH+](C)C)C3)o1 ZINC001440537529 1093802217 /nfs/dbraw/zinc/80/22/17/1093802217.db2.gz KICHCKFAEUXWMQ-QFBILLFUSA-N 2 0 348.491 2.310 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](Cc3cc(C)no3)C2)C1 ZINC001440539068 1093806226 /nfs/dbraw/zinc/80/62/26/1093806226.db2.gz PAUWZUVRZPWSKK-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP CC[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C(C)C)OC ZINC001440718621 1093961116 /nfs/dbraw/zinc/96/11/16/1093961116.db2.gz DILWGAYKQZRGMZ-YVWKXTFCSA-N 2 0 347.503 2.123 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)s1 ZINC001440838688 1094092220 /nfs/dbraw/zinc/09/22/20/1094092220.db2.gz OFCMJBVADCDNAT-RYUDHWBXSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCc1ccccc1F ZINC001440923094 1094176887 /nfs/dbraw/zinc/17/68/87/1094176887.db2.gz IEQZSCSEBFCOLY-MAUKXSAKSA-N 2 0 347.478 2.147 10 0 EEAERP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001440924080 1094177765 /nfs/dbraw/zinc/17/77/65/1094177765.db2.gz JRLYLYHNUAPMKP-APWZRJJASA-N 2 0 329.488 2.273 10 0 EEAERP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001441320035 1094774722 /nfs/dbraw/zinc/77/47/22/1094774722.db2.gz LPZBLQSPCAYWIQ-AXUOBQJMSA-N 2 0 345.462 2.277 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001441362978 1094883955 /nfs/dbraw/zinc/88/39/55/1094883955.db2.gz BAVOQQZOXAMIHK-BQFCYCMXSA-N 2 0 348.491 2.088 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001441511785 1095203427 /nfs/dbraw/zinc/20/34/27/1095203427.db2.gz MFRNTNIAFBKISF-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC001441514023 1095206742 /nfs/dbraw/zinc/20/67/42/1095206742.db2.gz RQLJHBWMJRFTEV-FHLIZLRMSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001441551308 1095282392 /nfs/dbraw/zinc/28/23/92/1095282392.db2.gz XXORIWPAIVHMDC-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001441949195 1096150613 /nfs/dbraw/zinc/15/06/13/1096150613.db2.gz KTSVTYROKGTZFC-JKSUJKDBSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001442157831 1096413292 /nfs/dbraw/zinc/41/32/92/1096413292.db2.gz VKJUNQMEHRWXOZ-HNNXBMFYSA-N 2 0 339.430 2.243 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccccn2)C1 ZINC001442232266 1096531059 /nfs/dbraw/zinc/53/10/59/1096531059.db2.gz KETGNDQEHBOXCJ-ADKAHSJRSA-N 2 0 330.476 2.035 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2cccc(OC)c2C)CC[N@@H+]1C ZINC001442409692 1096731669 /nfs/dbraw/zinc/73/16/69/1096731669.db2.gz HSNPSDWCTCDQAU-ZWKOTPCHSA-N 2 0 347.503 2.282 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)C[C@H]2CCCC(F)(F)C2)CC1 ZINC001442502716 1096850445 /nfs/dbraw/zinc/85/04/45/1096850445.db2.gz IZYFZDOPYSNONX-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001442650207 1097018214 /nfs/dbraw/zinc/01/82/14/1097018214.db2.gz HRFUCDCACXWMPA-ZWKOTPCHSA-N 2 0 335.467 2.494 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cc(C)ccc2F)C1)[NH+](C)C ZINC001442860744 1097253586 /nfs/dbraw/zinc/25/35/86/1097253586.db2.gz GEQMIVRIWIKRJF-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1cncn1CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001442891908 1097290107 /nfs/dbraw/zinc/29/01/07/1097290107.db2.gz YCKIIGPDAOXGSG-INIZCTEOSA-N 2 0 346.862 2.483 10 0 EEAERP CCCN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1conc1C ZINC001442961718 1097383110 /nfs/dbraw/zinc/38/31/10/1097383110.db2.gz ZWMPFPAVIQSUNQ-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001443185762 1097627814 /nfs/dbraw/zinc/62/78/14/1097627814.db2.gz COBWSPQYHFVTPT-KRWDZBQOSA-N 2 0 332.492 2.155 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC001443937028 1098456507 /nfs/dbraw/zinc/45/65/07/1098456507.db2.gz WFZBUUNXDMTWBZ-WBVHZDCISA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ocnc1C ZINC001443947916 1098467388 /nfs/dbraw/zinc/46/73/88/1098467388.db2.gz DMTMTIPDIVFRMP-JKSUJKDBSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nc2ccccc2o1 ZINC001443992534 1098507659 /nfs/dbraw/zinc/50/76/59/1098507659.db2.gz ZYAPYMGNBSCOAN-CABCVRRESA-N 2 0 344.459 2.154 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479691272 1098753833 /nfs/dbraw/zinc/75/38/33/1098753833.db2.gz XUZKMUXMNTZWEI-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001479725173 1098820288 /nfs/dbraw/zinc/82/02/88/1098820288.db2.gz UFKGOYLOEYWOMY-PBHICJAKSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1cccnc1)C1CC1 ZINC001479880969 1099250683 /nfs/dbraw/zinc/25/06/83/1099250683.db2.gz NOFFXWBMBUNULO-IAGOWNOFSA-N 2 0 344.503 2.425 10 0 EEAERP CCOCCC[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001479893571 1099270413 /nfs/dbraw/zinc/27/04/13/1099270413.db2.gz SRZBTJRRXNAUGH-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001479905314 1099292333 /nfs/dbraw/zinc/29/23/33/1099292333.db2.gz AYQWSAJQHGYWOQ-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC23CC[NH+](CC2CCCC2)CC3)CC1 ZINC001479985751 1099444169 /nfs/dbraw/zinc/44/41/69/1099444169.db2.gz VYZFNYLYXKYCQD-QGZVFWFLSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001444687908 1099536882 /nfs/dbraw/zinc/53/68/82/1099536882.db2.gz HWUSNOSNPXCNCJ-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cs1 ZINC001480058482 1099578635 /nfs/dbraw/zinc/57/86/35/1099578635.db2.gz DQIKCCFWJRNTFW-YOEHRIQHSA-N 2 0 335.517 2.383 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)Cc2cncs2)C1 ZINC001480084127 1099636030 /nfs/dbraw/zinc/63/60/30/1099636030.db2.gz GEIAYZSHKWWDHZ-OAHLLOKOSA-N 2 0 338.521 2.155 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001444887547 1099920610 /nfs/dbraw/zinc/92/06/10/1099920610.db2.gz KHINGJDFUGOTKS-CVEARBPZSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001480478005 1100285424 /nfs/dbraw/zinc/28/54/24/1100285424.db2.gz WAVBMYDJAPQZSA-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001480493762 1100307787 /nfs/dbraw/zinc/30/77/87/1100307787.db2.gz ZQETXCMGDVRQTR-KSSFIOAISA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC001480595475 1100443609 /nfs/dbraw/zinc/44/36/09/1100443609.db2.gz BAVAJLNHWFAQKT-HNNXBMFYSA-N 2 0 328.460 2.169 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001496299963 1100887822 /nfs/dbraw/zinc/88/78/22/1100887822.db2.gz KSZYKRRDTBRQRW-GOSISDBHSA-N 2 0 344.503 2.106 10 0 EEAERP CC[C@H](C(=O)NC1(C)CC[NH+](CC[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC001446482815 1100914488 /nfs/dbraw/zinc/91/44/88/1100914488.db2.gz RNFLADANJRFXFP-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001496375229 1100967581 /nfs/dbraw/zinc/96/75/81/1100967581.db2.gz LBBQMHLSTOGKLF-UKRRQHHQSA-N 2 0 338.521 2.118 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC001495303952 1101004662 /nfs/dbraw/zinc/00/46/62/1101004662.db2.gz SCLXUKQHHXRSQK-LPHOPBHVSA-N 2 0 339.524 2.016 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]Cc2ccon2)C1)C12CCC[NH+]1CCC2 ZINC001495361576 1101076863 /nfs/dbraw/zinc/07/68/63/1101076863.db2.gz ZGSRXBJLGXBIBJ-INIZCTEOSA-N 2 0 346.475 2.021 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001446597477 1101090378 /nfs/dbraw/zinc/09/03/78/1101090378.db2.gz IKZHONMSXFRAQP-JXFKEZNVSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C[C@@H]1CCOC1 ZINC001496561373 1101162191 /nfs/dbraw/zinc/16/21/91/1101162191.db2.gz JVPQXTPCDJFLQU-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]C/C=C/c1ccccc1 ZINC001495785891 1101596866 /nfs/dbraw/zinc/59/68/66/1101596866.db2.gz MEHDQRPLZISPKC-VYYLWUJASA-N 2 0 329.488 2.384 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)no1 ZINC001496871140 1101646979 /nfs/dbraw/zinc/64/69/79/1101646979.db2.gz WTTUOOVLUZQXNL-SJLPKXTDSA-N 2 0 348.491 2.138 10 0 EEAERP CC[C@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001446959425 1101661868 /nfs/dbraw/zinc/66/18/68/1101661868.db2.gz VAFHOSHKGRRQFD-TXTZMMAHSA-N 2 0 339.499 2.436 10 0 EEAERP Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001496076803 1102016429 /nfs/dbraw/zinc/01/64/29/1102016429.db2.gz CDCHJALEODQOSA-KDOFPFPSSA-N 2 0 348.491 2.327 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001497262635 1102215802 /nfs/dbraw/zinc/21/58/02/1102215802.db2.gz JAYGGHMGWHFKMV-DNVCBOLYSA-N 2 0 347.503 2.287 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001497270371 1102227284 /nfs/dbraw/zinc/22/72/84/1102227284.db2.gz BNBHJVDWXWLFHU-RDJZCZTQSA-N 2 0 347.503 2.330 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001497305196 1102288030 /nfs/dbraw/zinc/28/80/30/1102288030.db2.gz VPALRVMYKLLLLG-WBVHZDCISA-N 2 0 333.476 2.021 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)CC[NH+]1CCCCC1 ZINC001497500274 1102588271 /nfs/dbraw/zinc/58/82/71/1102588271.db2.gz DMGOHXAXVWIJOS-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001497549292 1102652289 /nfs/dbraw/zinc/65/22/89/1102652289.db2.gz OOPASBBKVOFDDW-SHCNBLLESA-N 2 0 345.487 2.038 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(F)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001497580491 1102694959 /nfs/dbraw/zinc/69/49/59/1102694959.db2.gz WEHVAFNPUFIQLR-NLVOMGJBSA-N 2 0 349.425 2.069 10 0 EEAERP Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001447632329 1103001175 /nfs/dbraw/zinc/00/11/75/1103001175.db2.gz JNYWGZYHCWPQSP-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)cc1 ZINC001497762185 1103050445 /nfs/dbraw/zinc/05/04/45/1103050445.db2.gz GBLJFJSIZCOXJY-ZMBJWTFHSA-N 2 0 345.487 2.332 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497877606 1103244115 /nfs/dbraw/zinc/24/41/15/1103244115.db2.gz MXMYKBFKHXMRTB-MRXNPFEDSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CCNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001494017527 1103351972 /nfs/dbraw/zinc/35/19/72/1103351972.db2.gz BQCROUOYUARUNP-WMZOPIPTSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H](CCNC(=O)C[C@@H](C)n3ccnc3)C2)o1 ZINC001494058858 1103446198 /nfs/dbraw/zinc/44/61/98/1103446198.db2.gz ZRNDXMPPBHRPLT-GDBMZVCRSA-N 2 0 345.447 2.159 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)o1 ZINC001447877539 1103499113 /nfs/dbraw/zinc/49/91/13/1103499113.db2.gz YIIGGYFCRNIBLY-CHWSQXEVSA-N 2 0 336.480 2.013 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001447892437 1103529164 /nfs/dbraw/zinc/52/91/64/1103529164.db2.gz BZWWFUMPYRDOMU-GJZGRUSLSA-N 2 0 332.492 2.023 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(F)ccc1Cl ZINC001447904363 1103560133 /nfs/dbraw/zinc/56/01/33/1103560133.db2.gz NSHVEUCKTHVKCW-RYUDHWBXSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001447907356 1103567356 /nfs/dbraw/zinc/56/73/56/1103567356.db2.gz LJQDCOMSLLDCPV-HOTGVXAUSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001447909684 1103574953 /nfs/dbraw/zinc/57/49/53/1103574953.db2.gz VDPHJGQIMJKLLV-LSDHHAIUSA-N 2 0 335.467 2.193 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001494139495 1103587665 /nfs/dbraw/zinc/58/76/65/1103587665.db2.gz AKTATKKWPQDFLV-INIZCTEOSA-N 2 0 344.459 2.073 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001447929666 1103622472 /nfs/dbraw/zinc/62/24/72/1103622472.db2.gz IIIVTTPWTBNHHB-GJZGRUSLSA-N 2 0 330.476 2.491 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC001447945501 1103662165 /nfs/dbraw/zinc/66/21/65/1103662165.db2.gz JDFBVWODDCOURT-GTPINHCMSA-N 2 0 347.507 2.237 10 0 EEAERP CO[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001448073258 1103941726 /nfs/dbraw/zinc/94/17/26/1103941726.db2.gz ZKICRZZIVGKTCJ-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCC(F)(F)C1 ZINC001494667453 1104253896 /nfs/dbraw/zinc/25/38/96/1104253896.db2.gz HXMXANZJVPUNAK-KKUMJFAQSA-N 2 0 329.435 2.049 10 0 EEAERP CCc1nocc1C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001448261579 1104270439 /nfs/dbraw/zinc/27/04/39/1104270439.db2.gz QVOJSWFWEPOJBX-KRWDZBQOSA-N 2 0 348.491 2.194 10 0 EEAERP Cc1cccc(C[NH+]2CC([C@H](C)NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001448315127 1104372884 /nfs/dbraw/zinc/37/28/84/1104372884.db2.gz FCBNMEYONUQJMP-SJORKVTESA-N 2 0 329.488 2.273 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1sccc1Cl ZINC001495092730 1104731306 /nfs/dbraw/zinc/73/13/06/1104731306.db2.gz ABUKUUAKNCCJEZ-LBPRGKRZSA-N 2 0 341.908 2.482 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC001480596764 1106734844 /nfs/dbraw/zinc/73/48/44/1106734844.db2.gz LYQLJKPAEIHBQP-OAHLLOKOSA-N 2 0 328.460 2.169 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001497993643 1106750340 /nfs/dbraw/zinc/75/03/40/1106750340.db2.gz RPHQPYDHNBTMQK-DYVFJYSZSA-N 2 0 336.480 2.006 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1)[NH+](C)C ZINC001480664573 1106844540 /nfs/dbraw/zinc/84/45/40/1106844540.db2.gz BHKKPMKXWQYDSK-HAURFUKOSA-N 2 0 329.488 2.478 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480696761 1106904221 /nfs/dbraw/zinc/90/42/21/1106904221.db2.gz ARSBBUPYAABQRM-IRXDYDNUSA-N 2 0 336.455 2.080 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498086996 1106905407 /nfs/dbraw/zinc/90/54/07/1106905407.db2.gz MXMYKBFKHXMRTB-INIZCTEOSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001498132589 1106964042 /nfs/dbraw/zinc/96/40/42/1106964042.db2.gz QBKYRQAHTGGXEH-DZGCQCFKSA-N 2 0 336.480 2.150 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1scnc1C ZINC001480768226 1107077788 /nfs/dbraw/zinc/07/77/88/1107077788.db2.gz FZZHDNIVVNYEEK-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480813986 1107166142 /nfs/dbraw/zinc/16/61/42/1107166142.db2.gz QLHWXYVPXMRBAX-ZBFHGGJFSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1ccncc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001498283252 1107213048 /nfs/dbraw/zinc/21/30/48/1107213048.db2.gz WQGUTPGAMPUFGS-SJLPKXTDSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498286616 1107216883 /nfs/dbraw/zinc/21/68/83/1107216883.db2.gz BCXFEHQPLJWTGL-HDMKZQKVSA-N 2 0 335.467 2.411 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498316953 1107279989 /nfs/dbraw/zinc/27/99/89/1107279989.db2.gz OVOJNFPPZHZXDP-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C[C@@H]1CCC(F)(F)C1 ZINC001493008602 1107290038 /nfs/dbraw/zinc/29/00/38/1107290038.db2.gz FJPKBNDBQULTCJ-CQSZACIVSA-N 2 0 331.451 2.202 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001498761356 1108047115 /nfs/dbraw/zinc/04/71/15/1108047115.db2.gz RHQMLFISSWVQJS-MOPGFXCFSA-N 2 0 345.462 2.152 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001493551285 1108300339 /nfs/dbraw/zinc/30/03/39/1108300339.db2.gz OTWAQHVMWFENNT-BHIYHBOVSA-N 2 0 343.515 2.495 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001493806363 1108686989 /nfs/dbraw/zinc/68/69/89/1108686989.db2.gz HTALLWITHGQTTB-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP COCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001493849786 1108733653 /nfs/dbraw/zinc/73/36/53/1108733653.db2.gz KGHBFKGZKAVZDI-INIZCTEOSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1ccns1 ZINC001493870186 1108762733 /nfs/dbraw/zinc/76/27/33/1108762733.db2.gz FNKBSTPICCYIHT-UHFFFAOYSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479294868 1110677320 /nfs/dbraw/zinc/67/73/20/1110677320.db2.gz JUZFSKYVIPCWHH-RNIPGJKVSA-N 2 0 335.536 2.495 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001499263513 1112206825 /nfs/dbraw/zinc/20/68/25/1112206825.db2.gz GYPRAROQGWZGKO-QZTJIDSGSA-N 2 0 327.472 2.397 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccc3c(c2)CCC3)CC1)C12CC[NH+](CC1)C2 ZINC001499420406 1112278257 /nfs/dbraw/zinc/27/82/57/1112278257.db2.gz DGWLHFBQBQUXAV-UHFFFAOYSA-N 2 0 339.483 2.010 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC001499448925 1112291251 /nfs/dbraw/zinc/29/12/51/1112291251.db2.gz XJBHXERMKCUXEF-CYBMUJFWSA-N 2 0 337.414 2.360 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001499920196 1112540983 /nfs/dbraw/zinc/54/09/83/1112540983.db2.gz AVAFOZXHSAXBKP-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001500003759 1112573915 /nfs/dbraw/zinc/57/39/15/1112573915.db2.gz UQTIIYYKSNTVNA-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCc3ccsc3)C2)C1 ZINC001500401448 1112803576 /nfs/dbraw/zinc/80/35/76/1112803576.db2.gz FTZMKFMOJQCTRL-HKUYNNGSSA-N 2 0 349.544 2.461 10 0 EEAERP CC1(CNC(=O)C23CCC[NH+](CCC2)C3)CC[NH+](CCCF)CC1 ZINC001500430884 1112826465 /nfs/dbraw/zinc/82/64/65/1112826465.db2.gz AIISIXCXMOTZOY-UHFFFAOYSA-N 2 0 339.499 2.440 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500519802 1112912443 /nfs/dbraw/zinc/91/24/43/1112912443.db2.gz SHRHWKDZJJRMLX-SFHVURJKSA-N 2 0 348.491 2.043 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1 ZINC001501641270 1113411495 /nfs/dbraw/zinc/41/14/95/1113411495.db2.gz UFSHKDNAPZNWJD-SFHVURJKSA-N 2 0 346.519 2.368 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001501704099 1113442288 /nfs/dbraw/zinc/44/22/88/1113442288.db2.gz CCLRWIXMRITEIH-QAQDUYKDSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001502441620 1113685241 /nfs/dbraw/zinc/68/52/41/1113685241.db2.gz VVHCZUJXRDHOBU-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOc2ccccc2)[C@H](C)C1 ZINC001503024405 1113873641 /nfs/dbraw/zinc/87/36/41/1113873641.db2.gz XRPCBQLMPWXXBL-QZTJIDSGSA-N 2 0 347.503 2.375 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001506484019 1114641567 /nfs/dbraw/zinc/64/15/67/1114641567.db2.gz OVDJWAIWYYUPFS-KRWDZBQOSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCCC2)C1 ZINC001506518175 1114667652 /nfs/dbraw/zinc/66/76/52/1114667652.db2.gz HDDZPBDDOHGLAW-FUVBFXSKSA-N 2 0 327.900 2.489 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001506905584 1114963396 /nfs/dbraw/zinc/96/33/96/1114963396.db2.gz IJAVDCRNDOXUPE-JCNLHEQBSA-N 2 0 349.906 2.463 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001506906622 1114964259 /nfs/dbraw/zinc/96/42/59/1114964259.db2.gz MBERHWYTQKJCOS-UAPYVXQJSA-N 2 0 344.503 2.250 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001506947657 1114995505 /nfs/dbraw/zinc/99/55/05/1114995505.db2.gz ZPXBDIDHYJVHAV-QGZVFWFLSA-N 2 0 329.488 2.199 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C/Cl ZINC001506992875 1115038005 /nfs/dbraw/zinc/03/80/05/1115038005.db2.gz URAQOTZJQLUVHK-DOOVCASASA-N 2 0 336.307 2.378 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCOC1CCC1 ZINC001507129628 1115124143 /nfs/dbraw/zinc/12/41/43/1115124143.db2.gz JZQOELVPTVQSTO-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cncc(F)c2)[C@H]1C ZINC001507292513 1115177508 /nfs/dbraw/zinc/17/75/08/1115177508.db2.gz KMXBOAUTUHJQLD-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)C(C)(C)C1 ZINC001507451319 1115276670 /nfs/dbraw/zinc/27/66/70/1115276670.db2.gz OZKZGFKRFMJLHN-GOSISDBHSA-N 2 0 346.519 2.367 10 0 EEAERP CC[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001507655675 1115315918 /nfs/dbraw/zinc/31/59/18/1115315918.db2.gz ICRGFNIQMDRJNM-YOEHRIQHSA-N 2 0 346.475 2.054 10 0 EEAERP CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1)OC ZINC001508065031 1115408949 /nfs/dbraw/zinc/40/89/49/1115408949.db2.gz OOSFFYTWGHTAMX-BPQIPLTHSA-N 2 0 341.540 2.214 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001508116543 1115422633 /nfs/dbraw/zinc/42/26/33/1115422633.db2.gz YRNUQCSISDLZMU-ROKHWSDSSA-N 2 0 335.414 2.392 10 0 EEAERP C[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)C ZINC001541848308 1124109094 /nfs/dbraw/zinc/10/90/94/1124109094.db2.gz HNOGPZRTMKSSGB-VYDXJSESSA-N 2 0 346.523 2.169 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001568008890 1124228272 /nfs/dbraw/zinc/22/82/72/1124228272.db2.gz XOJHRLLUDRZLSG-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@](C[NH2+]C/C=C\Cl)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001568034201 1124241242 /nfs/dbraw/zinc/24/12/42/1124241242.db2.gz NKFCILJFVPVTSD-OOYWPUHTSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001568060465 1124265392 /nfs/dbraw/zinc/26/53/92/1124265392.db2.gz MRQRJXABMMNJDZ-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)no1 ZINC001568066440 1124271459 /nfs/dbraw/zinc/27/14/59/1124271459.db2.gz NKWMSEVMRKKERW-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001568068525 1124274429 /nfs/dbraw/zinc/27/44/29/1124274429.db2.gz YPHMVKMMXGAYHS-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001568072203 1124277525 /nfs/dbraw/zinc/27/75/25/1124277525.db2.gz KKJPTDYTXWRYDZ-KRWDZBQOSA-N 2 0 332.492 2.142 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCOCC2CC2)CC1)C12CCC[NH+]1CCC2 ZINC001568108016 1124306693 /nfs/dbraw/zinc/30/66/93/1124306693.db2.gz WZEPDXPROLFWQS-IYARVYRRSA-N 2 0 349.519 2.058 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)CC[NH+](C)C ZINC001568672081 1124686298 /nfs/dbraw/zinc/68/62/98/1124686298.db2.gz FTQRDNKEBGTUFZ-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc2nsnc21)[NH+](C)C ZINC001568698376 1124712715 /nfs/dbraw/zinc/71/27/15/1124712715.db2.gz CSUZVZZQYZVBDE-DOMZBBRYSA-N 2 0 349.504 2.016 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568851494 1124873170 /nfs/dbraw/zinc/87/31/70/1124873170.db2.gz FSXGBVKQCMDXFG-XJDXJNMNSA-N 2 0 341.499 2.353 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568851628 1124873305 /nfs/dbraw/zinc/87/33/05/1124873305.db2.gz IBOGTOUHWNFIFO-FFPCURRISA-N 2 0 327.472 2.099 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001569168080 1125141544 /nfs/dbraw/zinc/14/15/44/1125141544.db2.gz GOTZLSWFKSZUFA-ROUUACIJSA-N 2 0 339.524 2.019 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001569252209 1125196092 /nfs/dbraw/zinc/19/60/92/1125196092.db2.gz YHZOFJMBMNNVHJ-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000372267572 282081265 /nfs/dbraw/zinc/08/12/65/282081265.db2.gz SBFGVAXPGSFJRS-MOPGFXCFSA-N 2 0 344.503 2.415 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066187339 282116042 /nfs/dbraw/zinc/11/60/42/282116042.db2.gz XFYMRNKFUGIAQZ-RTBURBONSA-N 2 0 344.503 2.039 10 0 EEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055078583 214270959 /nfs/dbraw/zinc/27/09/59/214270959.db2.gz SRIOIOOKKRMNCZ-GFCCVEGCSA-N 2 0 330.270 2.316 10 0 EEAERP C[N@H+](CCCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC1 ZINC000415973786 529883566 /nfs/dbraw/zinc/88/35/66/529883566.db2.gz NMGWCADQUGMPLB-UHFFFAOYSA-N 2 0 334.439 2.467 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000245498748 283063473 /nfs/dbraw/zinc/06/34/73/283063473.db2.gz WVFIYSSYCGPWFJ-CSNJMZFVSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2n(n1)CCC2 ZINC000414094572 299282892 /nfs/dbraw/zinc/28/28/92/299282892.db2.gz GJVIZNMISGPNON-KRWDZBQOSA-N 2 0 345.535 2.430 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416169811 239096482 /nfs/dbraw/zinc/09/64/82/239096482.db2.gz HFSVTKIBCBZIDS-RBUKOAKNSA-N 2 0 329.488 2.424 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422710665 240188153 /nfs/dbraw/zinc/18/81/53/240188153.db2.gz FIYOIUGDOBSODQ-INIZCTEOSA-N 2 0 341.446 2.273 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422907505 240287196 /nfs/dbraw/zinc/28/71/96/240287196.db2.gz LKVMHZYHAWEINJ-LSDHHAIUSA-N 2 0 341.446 2.273 10 0 EEAERP C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471740 240498322 /nfs/dbraw/zinc/49/83/22/240498322.db2.gz HTMWUCGYJCKAOH-CZUORRHYSA-N 2 0 327.419 2.275 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[NH+](CC)CC ZINC000427148016 241384087 /nfs/dbraw/zinc/38/40/87/241384087.db2.gz RXBFRIRIXJPBAU-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000446712358 242214629 /nfs/dbraw/zinc/21/46/29/242214629.db2.gz QUDFIQSATUTFHH-FQEVSTJZSA-N 2 0 329.488 2.251 10 0 EEAERP C[N@H+](CCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000459141042 245007795 /nfs/dbraw/zinc/00/77/95/245007795.db2.gz FAKYMQFZZBQIOA-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP O=C(C[C@H]1CCC[NH2+]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328630164 258029573 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EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105179846 159298754 /nfs/dbraw/zinc/29/87/54/159298754.db2.gz FQDBJYQQTPRMBG-DLBZAZTESA-N 2 0 336.524 2.377 10 0 EEAERP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193619017 160183904 /nfs/dbraw/zinc/18/39/04/160183904.db2.gz KIWKZOASDRAYFF-BETUJISGSA-N 2 0 337.851 2.171 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000245426207 160234440 /nfs/dbraw/zinc/23/44/40/160234440.db2.gz LCKRFZFWEKSLKE-YJBOKZPZSA-N 2 0 343.471 2.335 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000343570864 161147747 /nfs/dbraw/zinc/14/77/47/161147747.db2.gz AUVPOLSCZLKZTN-INIZCTEOSA-N 2 0 333.476 2.231 10 0 EEAERP CN(C(=O)C[NH+](C)[C@@H]1CCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343844114 161173527 /nfs/dbraw/zinc/17/35/27/161173527.db2.gz FCDYUZIUPIFYHM-ZWKOTPCHSA-N 2 0 347.528 2.157 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](CCOC(C)C)CC1 ZINC000346143492 161360861 /nfs/dbraw/zinc/36/08/61/161360861.db2.gz BBSZLKNUSDMDBF-UHFFFAOYSA-N 2 0 343.475 2.118 10 0 EEAERP CC[C@](C)(O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352895957 162336692 /nfs/dbraw/zinc/33/66/92/162336692.db2.gz GNEWYXMUNIHOJT-PMACEKPBSA-N 2 0 331.504 2.040 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000355671816 163266424 /nfs/dbraw/zinc/26/64/24/163266424.db2.gz WXWRTXLAEAWSPB-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP CC[NH+]1CCN(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000360153629 164244920 /nfs/dbraw/zinc/24/49/20/164244920.db2.gz CGGULAZBBXMOCI-UHFFFAOYSA-N 2 0 344.503 2.249 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375665452 167177919 /nfs/dbraw/zinc/17/79/19/167177919.db2.gz QIWWFGPTMOBEAE-ROUUACIJSA-N 2 0 345.418 2.418 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000271535083 274139868 /nfs/dbraw/zinc/13/98/68/274139868.db2.gz SNQREDCNDLRYFS-SZVBFZGTSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376982749 289041938 /nfs/dbraw/zinc/04/19/38/289041938.db2.gz ZSACYIOTIINHNN-AQEOSJORSA-N 2 0 334.508 2.272 10 0 EEAERP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349788693 289280099 /nfs/dbraw/zinc/28/00/99/289280099.db2.gz ZKAOODSZDIGULF-RTBURBONSA-N 2 0 344.503 2.037 10 0 EEAERP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCC(C)CC1 ZINC000297325711 294213115 /nfs/dbraw/zinc/21/31/15/294213115.db2.gz SLNKFZDALRKCCO-OAHLLOKOSA-N 2 0 329.448 2.254 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000423371703 294677456 /nfs/dbraw/zinc/67/74/56/294677456.db2.gz ARLPXKJRSPODIL-FPCVCCKLSA-N 2 0 349.441 2.007 10 0 EEAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000354528820 297802071 /nfs/dbraw/zinc/80/20/71/297802071.db2.gz DUAMXMIPFDIJBR-AQEOSJORSA-N 2 0 336.524 2.375 10 0 EEAERP CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416849645 313335976 /nfs/dbraw/zinc/33/59/76/313335976.db2.gz YLEQLSLLCFGMHA-MHYDHLEJSA-N 2 0 342.487 2.185 10 0 EEAERP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416900580 313353967 /nfs/dbraw/zinc/35/39/67/313353967.db2.gz XDAUYVHTSWXCOJ-KRWDZBQOSA-N 2 0 330.476 2.081 10 0 EEAERP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000416933040 313365445 /nfs/dbraw/zinc/36/54/45/313365445.db2.gz AARBQHLABKKCJB-UHFFFAOYSA-N 2 0 346.519 2.320 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417817052 313606114 /nfs/dbraw/zinc/60/61/14/313606114.db2.gz VBSXYVNUIHQHSG-CALCHBBNSA-N 2 0 348.535 2.425 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418449102 313816161 /nfs/dbraw/zinc/81/61/61/313816161.db2.gz JVFAOICUVSGFCE-SFHVURJKSA-N 2 0 332.492 2.450 10 0 EEAERP Cc1ccc(C[N@H+](CCO)Cc2cccc(CN3CCOCC3)c2)o1 ZINC000420965512 314011217 /nfs/dbraw/zinc/01/12/17/314011217.db2.gz PLBRGRAFRCADJA-UHFFFAOYSA-N 2 0 344.455 2.415 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nn(C)c(C)c1Cl ZINC000421360060 314091537 /nfs/dbraw/zinc/09/15/37/314091537.db2.gz YOORBHXJMMUBPG-HNNXBMFYSA-N 2 0 341.931 2.230 10 0 EEAERP CN(CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542786982 318139849 /nfs/dbraw/zinc/13/98/49/318139849.db2.gz QQYJABSYKCQLHG-SFHVURJKSA-N 2 0 338.455 2.299 10 0 EEAERP Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(OCC[NH+](C)C)c1 ZINC000563457253 319013578 /nfs/dbraw/zinc/01/35/78/319013578.db2.gz QXFGVUXFBYTAAW-IYBDPMFKSA-N 2 0 346.475 2.294 10 0 EEAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000574450434 320026132 /nfs/dbraw/zinc/02/61/32/320026132.db2.gz OLIBWFSPGKODAH-FRQCXROJSA-N 2 0 332.492 2.466 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000582170710 324394755 /nfs/dbraw/zinc/39/47/55/324394755.db2.gz LKWHERPBQIIVME-VQIMIIECSA-N 2 0 344.503 2.470 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000113624848 462607718 /nfs/dbraw/zinc/60/77/18/462607718.db2.gz BXWSDJAOEOUMBR-WBVHZDCISA-N 2 0 332.492 2.461 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000113624851 462607997 /nfs/dbraw/zinc/60/79/97/462607997.db2.gz BXWSDJAOEOUMBR-NVXWUHKLSA-N 2 0 332.492 2.461 10 0 EEAERP CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410695 462790270 /nfs/dbraw/zinc/79/02/70/462790270.db2.gz JSPOACAZJMJLSD-NVXWUHKLSA-N 2 0 348.491 2.081 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000579223558 468327836 /nfs/dbraw/zinc/32/78/36/468327836.db2.gz ARJYPZBRDQGUPD-KZNAEPCWSA-N 2 0 325.541 2.179 10 0 EEAERP CSc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000077788747 463047937 /nfs/dbraw/zinc/04/79/37/463047937.db2.gz RRZTVHXUEPZYHK-UHFFFAOYSA-N 2 0 338.521 2.043 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000077793519 463049169 /nfs/dbraw/zinc/04/91/69/463049169.db2.gz MDMFSXIQNHTKDR-KRWDZBQOSA-N 2 0 346.519 2.464 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000052011668 463057625 /nfs/dbraw/zinc/05/76/25/463057625.db2.gz MHWRWSXKNHNQII-LJQANCHMSA-N 2 0 347.478 2.433 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCC[NH+](CC)C2)c1 ZINC000141090351 463348853 /nfs/dbraw/zinc/34/88/53/463348853.db2.gz BRKNCCLZPMLHSI-SFHVURJKSA-N 2 0 332.492 2.422 10 0 EEAERP COc1ccc(OC)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000105862371 463480151 /nfs/dbraw/zinc/48/01/51/463480151.db2.gz OTATVGVJYRUMKC-HNNXBMFYSA-N 2 0 336.476 2.228 10 0 EEAERP COc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1NC(C)=O ZINC000151374480 463520770 /nfs/dbraw/zinc/52/07/70/463520770.db2.gz HPUZTLNIRSURJV-AWEZNQCLSA-N 2 0 349.475 2.151 10 0 EEAERP CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000163236853 463573499 /nfs/dbraw/zinc/57/34/99/463573499.db2.gz OGASTCVSOHVUML-KZNAEPCWSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000164185038 463616816 /nfs/dbraw/zinc/61/68/16/463616816.db2.gz XUADJCNLBLWZEB-QAPCUYQASA-N 2 0 332.492 2.454 10 0 EEAERP CCC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000164185131 463616857 /nfs/dbraw/zinc/61/68/57/463616857.db2.gz XUADJCNLBLWZEB-CRAIPNDOSA-N 2 0 332.492 2.454 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863080 463725520 /nfs/dbraw/zinc/72/55/20/463725520.db2.gz TWWDXNBNNCWCRM-ROUUACIJSA-N 2 0 332.492 2.415 10 0 EEAERP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000287195110 463831024 /nfs/dbraw/zinc/83/10/24/463831024.db2.gz WBKZTYYHDFLSBF-GOSISDBHSA-N 2 0 348.491 2.100 10 0 EEAERP CN(Cc1nccs1)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC000261802028 463865420 /nfs/dbraw/zinc/86/54/20/463865420.db2.gz GZYWIICQHSPUAI-INIZCTEOSA-N 2 0 334.533 2.429 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261868100 463882668 /nfs/dbraw/zinc/88/26/68/463882668.db2.gz NUEOYGVYRCTJOO-INIZCTEOSA-N 2 0 345.487 2.043 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000262152490 463958553 /nfs/dbraw/zinc/95/85/53/463958553.db2.gz XLUVAIXHIXBQKE-IRXDYDNUSA-N 2 0 333.451 2.376 10 0 EEAERP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516260 464064328 /nfs/dbraw/zinc/06/43/28/464064328.db2.gz CTGOLCDSPVLOEG-DLBZAZTESA-N 2 0 348.491 2.055 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179275932 464096764 /nfs/dbraw/zinc/09/67/64/464096764.db2.gz GVVUYEQVZYCKED-RTBURBONSA-N 2 0 344.503 2.415 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000281146608 464350017 /nfs/dbraw/zinc/35/00/17/464350017.db2.gz GIKQQMVHUOFJSM-KBXCAEBGSA-N 2 0 335.467 2.295 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000245391475 464473957 /nfs/dbraw/zinc/47/39/57/464473957.db2.gz QFXISJVHZNEAMU-RTBURBONSA-N 2 0 344.503 2.435 10 0 EEAERP O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439831 464609937 /nfs/dbraw/zinc/60/99/37/464609937.db2.gz SRNXVEFGEONHIV-BURNTYAHSA-N 2 0 343.515 2.228 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733534 464617023 /nfs/dbraw/zinc/61/70/23/464617023.db2.gz GIYLGQHIDIAQFZ-QLFBSQMISA-N 2 0 347.425 2.203 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247600899 464697281 /nfs/dbraw/zinc/69/72/81/464697281.db2.gz UNCMUBXDTAOUGL-ZACQAIPSSA-N 2 0 336.524 2.233 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000248713660 464790579 /nfs/dbraw/zinc/79/05/79/464790579.db2.gz QXTVTBNGSPEZEY-STQMWFEESA-N 2 0 325.478 2.182 10 0 EEAERP Cc1ccn2cc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)nc2c1 ZINC000266755772 464810404 /nfs/dbraw/zinc/81/04/04/464810404.db2.gz OJFKLZFIIBMJNZ-ZBFHGGJFSA-N 2 0 329.448 2.267 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000266875708 464855201 /nfs/dbraw/zinc/85/52/01/464855201.db2.gz SWIDQTRESVEUFF-ZBFHGGJFSA-N 2 0 347.459 2.406 10 0 EEAERP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000286274427 464863633 /nfs/dbraw/zinc/86/36/33/464863633.db2.gz FGKJKTBNTOXZHS-JSGCOSHPSA-N 2 0 334.489 2.021 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@H](C)C1 ZINC000249382508 464868905 /nfs/dbraw/zinc/86/89/05/464868905.db2.gz QPEFIFIFLULVKL-RDBSUJKOSA-N 2 0 326.403 2.026 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339861674 465556163 /nfs/dbraw/zinc/55/61/63/465556163.db2.gz NWUCVLUJYSTPRT-GBESFXJTSA-N 2 0 344.503 2.085 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000344580991 465692423 /nfs/dbraw/zinc/69/24/23/465692423.db2.gz IZLSFDWHHISAFO-UHFFFAOYSA-N 2 0 332.366 2.174 10 0 EEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299665015 465849083 /nfs/dbraw/zinc/84/90/83/465849083.db2.gz SNUBXXAJRFGYPK-IBGZPJMESA-N 2 0 344.503 2.041 10 0 EEAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CC1 ZINC000371835184 466026216 /nfs/dbraw/zinc/02/62/16/466026216.db2.gz QZVQOGMVAFXEIZ-NRFANRHFSA-N 2 0 345.531 2.244 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478594 466113201 /nfs/dbraw/zinc/11/32/01/466113201.db2.gz SAZAYXQFAYKYFB-RTBURBONSA-N 2 0 327.476 2.211 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000349702638 466198257 /nfs/dbraw/zinc/19/82/57/466198257.db2.gz LBGDMWCYWBXFHZ-SZVBFZGTSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000354334278 466483121 /nfs/dbraw/zinc/48/31/21/466483121.db2.gz MGXFIDHBPGQHBB-KRWDZBQOSA-N 2 0 329.488 2.283 10 0 EEAERP C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000417027399 466758786 /nfs/dbraw/zinc/75/87/86/466758786.db2.gz ZSHZMUNLLQDJHF-ROUUACIJSA-N 2 0 346.519 2.320 10 0 EEAERP C1C[C@@H]([C@H]2CCC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)CO1 ZINC000423505787 466760198 /nfs/dbraw/zinc/76/01/98/466760198.db2.gz HREINGKKVRBDNT-LKXUXUIPSA-N 2 0 335.536 2.388 10 0 EEAERP CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417201543 466800635 /nfs/dbraw/zinc/80/06/35/466800635.db2.gz WMZGKGKVBBEKTA-MHYDHLEJSA-N 2 0 344.503 2.084 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417584324 466888150 /nfs/dbraw/zinc/88/81/50/466888150.db2.gz MQYMVEJOCBESFN-BRWVUGGUSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000417657446 466900578 /nfs/dbraw/zinc/90/05/78/466900578.db2.gz HVIPEHYHAZAYPZ-UKRRQHHQSA-N 2 0 336.455 2.075 10 0 EEAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417664578 466902787 /nfs/dbraw/zinc/90/27/87/466902787.db2.gz WXHXUQJELSBLEE-DYVFJYSZSA-N 2 0 336.455 2.299 10 0 EEAERP C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417961668 467003733 /nfs/dbraw/zinc/00/37/33/467003733.db2.gz YUTOAXCAEYSFKE-SWLSCSKDSA-N 2 0 342.846 2.120 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000418009756 467021454 /nfs/dbraw/zinc/02/14/54/467021454.db2.gz FTQCIMUWYYFLDB-QZTJIDSGSA-N 2 0 334.508 2.202 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000418009754 467022167 /nfs/dbraw/zinc/02/21/67/467022167.db2.gz FTQCIMUWYYFLDB-MSOLQXFVSA-N 2 0 334.508 2.202 10 0 EEAERP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291380 467023737 /nfs/dbraw/zinc/02/37/37/467023737.db2.gz NTABCXQVKVANJJ-UONOGXRCSA-N 2 0 347.425 2.251 10 0 EEAERP COCC(C)(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000425505194 467102383 /nfs/dbraw/zinc/10/23/83/467102383.db2.gz NNLZXNZZYIWXKO-LJQANCHMSA-N 2 0 331.504 2.304 10 0 EEAERP O=C(NCC1=CC[NH2+]CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418547608 467126790 /nfs/dbraw/zinc/12/67/90/467126790.db2.gz YPSGTJMSTSRYGL-GOSISDBHSA-N 2 0 334.508 2.204 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418585490 467132307 /nfs/dbraw/zinc/13/23/07/467132307.db2.gz DIPPXYZSHPXMPW-WMZOPIPTSA-N 2 0 332.492 2.066 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418607037 467134956 /nfs/dbraw/zinc/13/49/56/467134956.db2.gz ZYAFDSWMKSVCCL-QFBILLFUSA-N 2 0 344.503 2.290 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418751209 467155337 /nfs/dbraw/zinc/15/53/37/467155337.db2.gz QIRZDPRGRCYDJH-OAHLLOKOSA-N 2 0 346.466 2.137 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000382768127 467379220 /nfs/dbraw/zinc/37/92/20/467379220.db2.gz YUMCZRSNWNNBBJ-QRQLOZEOSA-N 2 0 329.488 2.484 10 0 EEAERP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCN1 ZINC000383453845 467380250 /nfs/dbraw/zinc/38/02/50/467380250.db2.gz HTGJGTTVIAQHNS-NCXUSEDFSA-N 2 0 327.472 2.155 10 0 EEAERP CCC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000414189376 467388287 /nfs/dbraw/zinc/38/82/87/467388287.db2.gz JQLNYBXMNCCBLX-SFHVURJKSA-N 2 0 346.519 2.309 10 0 EEAERP COC(=O)c1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420413125 467399868 /nfs/dbraw/zinc/39/98/68/467399868.db2.gz ZTAVZEZYFRTSTD-SJLPKXTDSA-N 2 0 332.444 2.316 10 0 EEAERP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415006882 467466498 /nfs/dbraw/zinc/46/64/98/467466498.db2.gz CBAHEBSNJRZYQN-VWYCJHECSA-N 2 0 328.254 2.492 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000453261026 467472156 /nfs/dbraw/zinc/47/21/56/467472156.db2.gz JSSBSXKEOSFIDV-HLAWJBBLSA-N 2 0 345.531 2.333 10 0 EEAERP COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H]([NH3+])CC(C)C)CC1 ZINC000415108750 467491559 /nfs/dbraw/zinc/49/15/59/467491559.db2.gz OYLXTDVKFKDTOO-QGZVFWFLSA-N 2 0 347.503 2.192 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415197304 467516275 /nfs/dbraw/zinc/51/62/75/467516275.db2.gz AQMBJWPNEIHPRZ-HUUCEWRRSA-N 2 0 334.464 2.055 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436236406 467524051 /nfs/dbraw/zinc/52/40/51/467524051.db2.gz FPTXTHZAIXIPSX-QRVBRYPASA-N 2 0 329.488 2.500 10 0 EEAERP CN(C)S(=O)(=O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449337295 467631705 /nfs/dbraw/zinc/63/17/05/467631705.db2.gz PLLYMYFZJNEDGF-UHFFFAOYSA-N 2 0 347.569 2.147 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@](C)(O)COC)CC1 ZINC000449383897 467634678 /nfs/dbraw/zinc/63/46/78/467634678.db2.gz KTYWJDSGEBGBFK-FQEVSTJZSA-N 2 0 349.519 2.096 10 0 EEAERP OCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000449389640 467635658 /nfs/dbraw/zinc/63/56/58/467635658.db2.gz DLMXKGGUVAEWCF-NRFANRHFSA-N 2 0 345.531 2.130 10 0 EEAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCC[N@@H+]3CCO)CC2)C1 ZINC000449389424 467635886 /nfs/dbraw/zinc/63/58/86/467635886.db2.gz CTWVUYAZFJAZPE-HOJAQTOUSA-N 2 0 337.552 2.466 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458346531 467812801 /nfs/dbraw/zinc/81/28/01/467812801.db2.gz SOVGMEBBEHBFOE-GVDBMIGSSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000493764096 467978936 /nfs/dbraw/zinc/97/89/36/467978936.db2.gz FMWUCIIHOOWPCS-QHGAOEGBSA-N 2 0 331.504 2.207 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)oc2C)C1 ZINC000530626887 467998439 /nfs/dbraw/zinc/99/84/39/467998439.db2.gz CLIUXIRWDVBPAE-INIZCTEOSA-N 2 0 338.448 2.307 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000531217905 468036653 /nfs/dbraw/zinc/03/66/53/468036653.db2.gz DDDOBJFPQAFLSK-OAHLLOKOSA-N 2 0 330.476 2.064 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)C1 ZINC000582309471 468522293 /nfs/dbraw/zinc/52/22/93/468522293.db2.gz FYFNAYGLHBQIMJ-OAHLLOKOSA-N 2 0 330.476 2.473 10 0 EEAERP C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)C1CC[NH+](C)CC1 ZINC000592393082 468688224 /nfs/dbraw/zinc/68/82/24/468688224.db2.gz CWJAOCLCHOWSGL-OAHLLOKOSA-N 2 0 340.508 2.445 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926943 468723786 /nfs/dbraw/zinc/72/37/86/468723786.db2.gz ORRHMCTWQBLATA-JCHJZTRSSA-N 2 0 330.472 2.338 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926945 468723917 /nfs/dbraw/zinc/72/39/17/468723917.db2.gz ORRHMCTWQBLATA-QXCFHYIPSA-N 2 0 330.472 2.338 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1n1cccn1 ZINC000562685703 469037088 /nfs/dbraw/zinc/03/70/88/469037088.db2.gz MABFZPBYWNQLSI-OTWHNJEPSA-N 2 0 341.459 2.255 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000625837359 469405974 /nfs/dbraw/zinc/40/59/74/469405974.db2.gz JHLFGWODAROESD-JKSUJKDBSA-N 2 0 345.491 2.091 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000629530478 469573198 /nfs/dbraw/zinc/57/31/98/469573198.db2.gz HULUZIBIMVDYOB-ZDUSSCGKSA-N 2 0 331.229 2.401 10 0 EEAERP COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc3nccn3c2)CC1 ZINC000606580707 469620213 /nfs/dbraw/zinc/62/02/13/469620213.db2.gz BDBDVZFTDNJEJK-UHFFFAOYSA-N 2 0 345.447 2.345 10 0 EEAERP Cc1cn2c(n1)C[C@@H](C(=O)N1CCN(C)C[C@@H]1c1ccccc1)CC2 ZINC000623671022 469729199 /nfs/dbraw/zinc/72/91/99/469729199.db2.gz PMUHFWNVKHGVJH-ZWKOTPCHSA-N 2 0 338.455 2.269 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623717517 469743759 /nfs/dbraw/zinc/74/37/59/469743759.db2.gz DPWSMCVABIXGHQ-JFIYKMOQSA-N 2 0 336.524 2.423 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1 ZINC000613659532 469759936 /nfs/dbraw/zinc/75/99/36/469759936.db2.gz AKVMQGUWHSKVIM-SJLPKXTDSA-N 2 0 330.476 2.205 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[NH+]2CCCC2)o1 ZINC000626963391 469770394 /nfs/dbraw/zinc/77/03/94/469770394.db2.gz NCZSITGLDIGIMR-IMJJTQAJSA-N 2 0 334.464 2.165 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000626999402 469783890 /nfs/dbraw/zinc/78/38/90/469783890.db2.gz ZAVRPSXHBOERAJ-XYVMCAHJSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000623903688 469792703 /nfs/dbraw/zinc/79/27/03/469792703.db2.gz NBIXLKGKPPLMQM-DOTOQJQBSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000627033353 469797030 /nfs/dbraw/zinc/79/70/30/469797030.db2.gz HRSVGJKZMZAYJL-BZZMCLGOSA-N 2 0 332.492 2.426 10 0 EEAERP CCN(C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617923426 469838186 /nfs/dbraw/zinc/83/81/86/469838186.db2.gz CEQBIWGWDSSHHA-OALUTQOASA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000627195457 469840617 /nfs/dbraw/zinc/84/06/17/469840617.db2.gz KYNYKLOVZBODBL-AEFFLSMTSA-N 2 0 336.524 2.425 10 0 EEAERP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000624773376 470018516 /nfs/dbraw/zinc/01/85/16/470018516.db2.gz IHDZOCHGFBSAGA-LBPRGKRZSA-N 2 0 337.370 2.045 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccnn2CC2CCC2)ccn1 ZINC000631102716 470069992 /nfs/dbraw/zinc/06/99/92/470069992.db2.gz UZQNSEFFKFSEHJ-UHFFFAOYSA-N 2 0 343.475 2.308 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C1 ZINC000631647075 470175968 /nfs/dbraw/zinc/17/59/68/470175968.db2.gz PHUWRPNGYPAHGD-WCIQWLHISA-N 2 0 342.483 2.300 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770650 470303861 /nfs/dbraw/zinc/30/38/61/470303861.db2.gz SQSHAERMAUUQAG-CAIZAGQASA-N 2 0 327.472 2.013 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCC[C@H]4CCO4)CC3)C2)cc1 ZINC000639162608 470415812 /nfs/dbraw/zinc/41/58/12/470415812.db2.gz UBMCVBBJPXSICB-RTWAWAEBSA-N 2 0 343.515 2.448 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370202 470561583 /nfs/dbraw/zinc/56/15/83/470561583.db2.gz HNCOKFWAHSLLMN-OAHLLOKOSA-N 2 0 331.460 2.032 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288501 470876915 /nfs/dbraw/zinc/87/69/15/470876915.db2.gz FPOCYKMGUSZJOW-HZPDHXFCSA-N 2 0 331.508 2.039 10 0 EEAERP C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899295 471010348 /nfs/dbraw/zinc/01/03/48/471010348.db2.gz FYGGPFROYPQZPG-NEWSRXKRSA-N 2 0 329.488 2.498 10 0 EEAERP c1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657402650 471126222 /nfs/dbraw/zinc/12/62/22/471126222.db2.gz WHRZBJHUWJRYGC-WMLDXEAASA-N 2 0 330.457 2.412 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638513472 471126722 /nfs/dbraw/zinc/12/67/22/471126722.db2.gz MIYVQUUOERYZRM-OTWHNJEPSA-N 2 0 329.488 2.483 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000654858147 471204815 /nfs/dbraw/zinc/20/48/15/471204815.db2.gz CVPFDQJCNQBRNU-LMMKCTJWSA-N 2 0 329.488 2.355 10 0 EEAERP [NH3+]CC1(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000652122167 471239380 /nfs/dbraw/zinc/23/93/80/471239380.db2.gz MAWAJTNDGNMQFY-UHFFFAOYSA-N 2 0 330.476 2.211 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652241895 471260872 /nfs/dbraw/zinc/26/08/72/471260872.db2.gz FMMUBFRXQVGGOD-KRWDZBQOSA-N 2 0 336.524 2.269 10 0 EEAERP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000655080229 471262229 /nfs/dbraw/zinc/26/22/29/471262229.db2.gz VLZONQAVMUIFDQ-MRXNPFEDSA-N 2 0 343.462 2.487 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000652291863 471268386 /nfs/dbraw/zinc/26/83/86/471268386.db2.gz LANHZHNOLRONES-UHFFFAOYSA-N 2 0 332.492 2.457 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487651 471347203 /nfs/dbraw/zinc/34/72/03/471347203.db2.gz KDRBETCDWYCVFI-CUSZFKRNSA-N 2 0 347.503 2.327 10 0 EEAERP CN(c1ccccc1CNCC12CC(C1)C[NH2+]2)C1CC[NH+](C)CC1 ZINC000663498596 471401270 /nfs/dbraw/zinc/40/12/70/471401270.db2.gz QSTGVSMXPUIWTM-UHFFFAOYSA-N 2 0 328.504 2.059 10 0 EEAERP CCN1OC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000660622220 471419437 /nfs/dbraw/zinc/41/94/37/471419437.db2.gz DBSJGAKTTBFYOG-SFHVURJKSA-N 2 0 343.471 2.137 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000669267731 471437204 /nfs/dbraw/zinc/43/72/04/471437204.db2.gz UQOHSJWSRPPEAB-AIMAZDRCSA-N 2 0 336.867 2.291 10 0 EEAERP C[N@@H+]1C[C@@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](c2ccccc2)C1 ZINC000655779327 471479869 /nfs/dbraw/zinc/47/98/69/471479869.db2.gz IWGONWTZWTZGPM-GIVPXCGWSA-N 2 0 343.515 2.175 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)[NH+]2CCCC2)o1 ZINC000653115727 471496313 /nfs/dbraw/zinc/49/63/13/471496313.db2.gz YNRZRGSBMKOVIB-ZACQAIPSSA-N 2 0 331.460 2.372 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)[NH+]2CCCC2)o1 ZINC000653115724 471496887 /nfs/dbraw/zinc/49/68/87/471496887.db2.gz YNRZRGSBMKOVIB-BBWFWOEESA-N 2 0 331.460 2.372 10 0 EEAERP CC[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000669485159 471515252 /nfs/dbraw/zinc/51/52/52/471515252.db2.gz UDLDAAMASRTQFW-WMLDXEAASA-N 2 0 336.455 2.156 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000669529132 471536969 /nfs/dbraw/zinc/53/69/69/471536969.db2.gz FQINFAUYDIDVAL-ORPJZTTNSA-N 2 0 348.535 2.314 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655915758 471537137 /nfs/dbraw/zinc/53/71/37/471537137.db2.gz XLBORNKKNSCTTL-XBFCOCLRSA-N 2 0 344.381 2.011 10 0 EEAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924294 471542328 /nfs/dbraw/zinc/54/23/28/471542328.db2.gz JZSRKFNJVIKRME-LBPRGKRZSA-N 2 0 338.418 2.220 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000661108659 471628960 /nfs/dbraw/zinc/62/89/60/471628960.db2.gz BVRQQAMHMRNOKP-WWDZGPRUSA-N 2 0 336.524 2.423 10 0 EEAERP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)NC1CC([NH+]2CCCCC2)C1 ZINC000661110724 471629447 /nfs/dbraw/zinc/62/94/47/471629447.db2.gz XIDBRRDBYUKKRQ-LMDPOFIKSA-N 2 0 348.535 2.425 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000659444930 471632011 /nfs/dbraw/zinc/63/20/11/471632011.db2.gz CUHATZRNZYZEIC-MAUKXSAKSA-N 2 0 332.492 2.106 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000659465314 471640861 /nfs/dbraw/zinc/64/08/61/471640861.db2.gz VHTYUHOQFKFSRJ-RBSFLKMASA-N 2 0 342.846 2.023 10 0 EEAERP CCCN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC[NH2+]CC1 ZINC000667148600 471671415 /nfs/dbraw/zinc/67/14/15/471671415.db2.gz FPLYGFFAWGTSII-UHFFFAOYSA-N 2 0 328.420 2.263 10 0 EEAERP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659609509 471698369 /nfs/dbraw/zinc/69/83/69/471698369.db2.gz BDUWEGHFDURLMS-WMZOPIPTSA-N 2 0 344.503 2.277 10 0 EEAERP CCN(C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000667325305 471735276 /nfs/dbraw/zinc/73/52/76/471735276.db2.gz WCKJNHVFGIYROG-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000656545867 471755064 /nfs/dbraw/zinc/75/50/64/471755064.db2.gz PZIFUIBJZBGQEA-GJZGRUSLSA-N 2 0 338.521 2.477 10 0 EEAERP Cc1ccncc1[C@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664573981 471798704 /nfs/dbraw/zinc/79/87/04/471798704.db2.gz PYDHBUXIQUOMQI-HOTGVXAUSA-N 2 0 335.496 2.022 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000660273183 471923246 /nfs/dbraw/zinc/92/32/46/471923246.db2.gz WROWTBYYAVABAE-SFHVURJKSA-N 2 0 344.503 2.217 10 0 EEAERP COc1ccccc1-c1cc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)on1 ZINC000665300028 471995350 /nfs/dbraw/zinc/99/53/50/471995350.db2.gz WXIQHZOTTRBOCB-OALUTQOASA-N 2 0 343.427 2.207 10 0 EEAERP CC[NH+](CC)CCN(Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258851 472046345 /nfs/dbraw/zinc/04/63/45/472046345.db2.gz MNIVUKXTOMAFFH-INIZCTEOSA-N 2 0 337.533 2.413 10 0 EEAERP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711311 472218524 /nfs/dbraw/zinc/21/85/24/472218524.db2.gz AAOVBCGRMPJYDZ-QZTJIDSGSA-N 2 0 329.488 2.403 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662730470 472226248 /nfs/dbraw/zinc/22/62/48/472226248.db2.gz GHGFJUKNDQLGLE-HIFRSBDPSA-N 2 0 342.281 2.113 10 0 EEAERP Fc1ccc([C@H]([NH2+][C@H]2CCN(CCN3CCOCC3)C2)C2CC2)cc1 ZINC000678685521 485480871 /nfs/dbraw/zinc/48/08/71/485480871.db2.gz IIPCLZFZPKUDRD-VQTJNVASSA-N 2 0 347.478 2.273 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000674147499 485646978 /nfs/dbraw/zinc/64/69/78/485646978.db2.gz CLQPTCUBWZYHMA-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP CN(C)c1nccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000684021668 485728112 /nfs/dbraw/zinc/72/81/12/485728112.db2.gz RJHOXSFQRHQEBS-UHFFFAOYSA-N 2 0 336.443 2.346 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629546369 485732102 /nfs/dbraw/zinc/73/21/02/485732102.db2.gz PGMOTXLBUKETSI-ZIAGYGMSSA-N 2 0 329.847 2.401 10 0 EEAERP C[C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C[NH+]1CCCC1 ZINC000674988369 485889700 /nfs/dbraw/zinc/88/97/00/485889700.db2.gz NSZGSWZQGHLEOS-CQSZACIVSA-N 2 0 328.420 2.121 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000678023364 486552949 /nfs/dbraw/zinc/55/29/49/486552949.db2.gz YCZJWWIDXZXXGJ-LMMKCTJWSA-N 2 0 344.503 2.385 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000119803907 535109927 /nfs/dbraw/zinc/10/99/27/535109927.db2.gz LLOBQBCCXLBXLF-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CN2CCC3(CCOCC3)C2=O)CC1 ZINC000777533607 577480801 /nfs/dbraw/zinc/48/08/01/577480801.db2.gz RHYDBQCBIROTBM-UHFFFAOYSA-N 2 0 337.508 2.027 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[S@](=O)CC)CC1 ZINC000756118431 577838669 /nfs/dbraw/zinc/83/86/69/577838669.db2.gz QCJVJNPMFMCITH-HSZRJFAPSA-N 2 0 337.533 2.077 10 0 EEAERP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000090971336 676814374 /nfs/dbraw/zinc/81/43/74/676814374.db2.gz IRJRLECSXDCXBP-UZLBHIALSA-N 2 0 329.488 2.486 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c2c1OC(F)(F)O2 ZINC000894541124 682961795 /nfs/dbraw/zinc/96/17/95/682961795.db2.gz OUWVFRXVUFEGAH-SMDDNHRTSA-N 2 0 342.386 2.320 10 0 EEAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1c1cc[nH+]cc1 ZINC000915252934 684066646 /nfs/dbraw/zinc/06/66/46/684066646.db2.gz TUPVYSJZWLWEQH-MRXNPFEDSA-N 2 0 330.476 2.383 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925544554 684260816 /nfs/dbraw/zinc/26/08/16/684260816.db2.gz AQLAGTMTSUQJOW-WOJBJXKFSA-N 3 0 336.568 2.162 10 0 EEAERP CS(=O)(=O)C1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925671820 684806658 /nfs/dbraw/zinc/80/66/58/684806658.db2.gz RHGYQJHUPSRTCX-CVEARBPZSA-N 2 0 328.522 2.102 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904471604 694403903 /nfs/dbraw/zinc/40/39/03/694403903.db2.gz JUCDRKLBEPJMSJ-HLSPVGSYSA-N 3 0 327.472 2.363 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000927007155 693144199 /nfs/dbraw/zinc/14/41/99/693144199.db2.gz BPLWSRKAIOPCRK-DGCLKSJQSA-N 2 0 327.270 2.207 10 0 EEAERP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898613352 693395149 /nfs/dbraw/zinc/39/51/49/693395149.db2.gz CYBVMILANICAOW-QGZVFWFLSA-N 2 0 345.462 2.344 10 0 EEAERP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCCCCF)C1 ZINC001485517993 1191823177 /nfs/dbraw/zinc/82/31/77/1191823177.db2.gz UDUXKAXPFYNABC-XHSDSOJGSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCc2ccccc2)C1 ZINC001485532460 1191829714 /nfs/dbraw/zinc/82/97/14/1191829714.db2.gz HFVPOIQTXQAWCV-HKUYNNGSSA-N 2 0 343.515 2.398 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC001485688798 1191898359 /nfs/dbraw/zinc/89/83/59/1191898359.db2.gz NIXDOGIRALCJLG-ZHALLVOQSA-N 2 0 345.487 2.034 10 0 EEAERP CCOCCC[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001485759561 1191927390 /nfs/dbraw/zinc/92/73/90/1191927390.db2.gz ZURXOYUAZUBMQT-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC001266328187 1176309273 /nfs/dbraw/zinc/30/92/73/1176309273.db2.gz VZIIZRSXEIKOBB-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccnc(Cl)c1 ZINC001266428119 1176522435 /nfs/dbraw/zinc/52/24/35/1176522435.db2.gz KXUFLQPGNXQPBE-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266473318 1176602878 /nfs/dbraw/zinc/60/28/78/1176602878.db2.gz YTTCNLNCCPSPPU-DLBZAZTESA-N 2 0 327.488 2.248 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001670456777 1176798761 /nfs/dbraw/zinc/79/87/61/1176798761.db2.gz NVYBTSPGSGTMSG-ROUUACIJSA-N 2 0 349.906 2.461 10 0 EEAERP c1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CCC5(C[NH2+]C5)O4)C3)nc2c1 ZINC001772528122 1177028965 /nfs/dbraw/zinc/02/89/65/1177028965.db2.gz BROTYWFXMWSUIH-GJZGRUSLSA-N 2 0 326.444 2.263 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)CCc1c[nH]cn1 ZINC001691340508 1177935667 /nfs/dbraw/zinc/93/56/67/1177935667.db2.gz GZJTXXOONCFDBD-UHFFFAOYSA-N 2 0 326.444 2.468 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001671308961 1178051747 /nfs/dbraw/zinc/05/17/47/1178051747.db2.gz UQYJBILOYGPRPE-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267022681 1178105854 /nfs/dbraw/zinc/10/58/54/1178105854.db2.gz LTGCJBACDVSQNF-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCOC1CCC1 ZINC001267171731 1178399112 /nfs/dbraw/zinc/39/91/12/1178399112.db2.gz NJSLHYBNNZMRAI-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)Cc1ccc(Cl)nc1 ZINC001267233644 1178561485 /nfs/dbraw/zinc/56/14/85/1178561485.db2.gz VRLQNFJNSVICAI-ZIAGYGMSSA-N 2 0 338.883 2.156 10 0 EEAERP CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(Cl)s1 ZINC001480934732 1178834948 /nfs/dbraw/zinc/83/49/48/1178834948.db2.gz FIWBMUXFBWRSOX-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP CN(CC[NH2+]Cc1cccc2cccnc21)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391968 1178957295 /nfs/dbraw/zinc/95/72/95/1178957295.db2.gz XLRPFBPMIQWCHY-SFHVURJKSA-N 2 0 340.471 2.267 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267411842 1178974293 /nfs/dbraw/zinc/97/42/93/1178974293.db2.gz DGQJBRCVDTZNMX-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001481055938 1179642652 /nfs/dbraw/zinc/64/26/52/1179642652.db2.gz DSVLKEDTARVAEJ-QZTJIDSGSA-N 2 0 332.492 2.283 10 0 EEAERP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001481230029 1180362988 /nfs/dbraw/zinc/36/29/88/1180362988.db2.gz CXGBEDKSJYTTTL-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001481265989 1180519184 /nfs/dbraw/zinc/51/91/84/1180519184.db2.gz WVMQCWJKEBVVEM-SFHVURJKSA-N 2 0 347.503 2.297 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267819294 1180578597 /nfs/dbraw/zinc/57/85/97/1180578597.db2.gz CHRYSOYCCASYMT-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1)C1CCC1 ZINC001267856118 1180640325 /nfs/dbraw/zinc/64/03/25/1180640325.db2.gz KBXCOOHYQIKLCF-OAHLLOKOSA-N 2 0 335.414 2.298 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267958631 1180843995 /nfs/dbraw/zinc/84/39/95/1180843995.db2.gz UGWNXGPNALNBAF-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315233 1181011647 /nfs/dbraw/zinc/01/16/47/1181011647.db2.gz SXVBHFXZIOYERI-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCCCO1 ZINC001481350398 1181092649 /nfs/dbraw/zinc/09/26/49/1181092649.db2.gz JOUVAOPUFPPJDQ-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001481432036 1181325374 /nfs/dbraw/zinc/32/53/74/1181325374.db2.gz KKPCVVSOAAWUSR-HKUYNNGSSA-N 2 0 333.520 2.347 10 0 EEAERP CC(C)(C(=O)NCC[C@@H]1CC[N@H+](Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001481443543 1181358641 /nfs/dbraw/zinc/35/86/41/1181358641.db2.gz WXBMUGQUFWZHAU-QGZVFWFLSA-N 2 0 344.503 2.284 10 0 EEAERP COCc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001481499344 1181573285 /nfs/dbraw/zinc/57/32/85/1181573285.db2.gz VZZRWNMCUMWGKC-IBGZPJMESA-N 2 0 347.503 2.065 10 0 EEAERP CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001481518188 1181628305 /nfs/dbraw/zinc/62/83/05/1181628305.db2.gz KCMXBEUMHXLAHB-RDJZCZTQSA-N 2 0 327.488 2.247 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)oc1C ZINC001268159709 1181872052 /nfs/dbraw/zinc/87/20/52/1181872052.db2.gz DBFFTLUPSTVJFW-INIZCTEOSA-N 2 0 345.447 2.118 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001691500044 1182054897 /nfs/dbraw/zinc/05/48/97/1182054897.db2.gz IMEBCBUKFJPGKN-KRWDZBQOSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268366688 1182342454 /nfs/dbraw/zinc/34/24/54/1182342454.db2.gz PNTNNXWQFTXIJK-AWEZNQCLSA-N 2 0 338.521 2.392 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]Cc1cncs1 ZINC001481865334 1182833152 /nfs/dbraw/zinc/83/31/52/1182833152.db2.gz XXLQQMWLBYPRLM-OAHLLOKOSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001481867443 1182838387 /nfs/dbraw/zinc/83/83/87/1182838387.db2.gz CFJLEAZJIHBUDD-LSDHHAIUSA-N 2 0 343.462 2.392 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ns1 ZINC001481880818 1182862808 /nfs/dbraw/zinc/86/28/08/1182862808.db2.gz HMFZFACEJOWEFR-ZBFHGGJFSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268477491 1182894647 /nfs/dbraw/zinc/89/46/47/1182894647.db2.gz RJZKXGGLYXZMIO-MRXNPFEDSA-N 2 0 340.537 2.284 10 0 EEAERP Cc1cc(C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)sn1 ZINC001481912696 1182937049 /nfs/dbraw/zinc/93/70/49/1182937049.db2.gz PXPTYYUPGCAHRQ-UHFFFAOYSA-N 2 0 336.505 2.066 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001481929845 1182974729 /nfs/dbraw/zinc/97/47/29/1182974729.db2.gz CYYZZRYXIQRGOG-ZTNFWEORSA-N 2 0 344.503 2.105 10 0 EEAERP Cc1cccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001481953186 1183030560 /nfs/dbraw/zinc/03/05/60/1183030560.db2.gz WHPKZIVXSRDEMT-XLIONFOSSA-N 2 0 329.488 2.321 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001482002416 1183118401 /nfs/dbraw/zinc/11/84/01/1183118401.db2.gz IYMCLHMEJWUYCC-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CCC(F)(F)F)CC1 ZINC001482007951 1183131033 /nfs/dbraw/zinc/13/10/33/1183131033.db2.gz UQQHEHDWBDQSOD-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCOC)CC1 ZINC001482027539 1183157302 /nfs/dbraw/zinc/15/73/02/1183157302.db2.gz HFWYNHVGJHHLBG-BZSNNMDCSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1oncc1C[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482049565 1183234399 /nfs/dbraw/zinc/23/43/99/1183234399.db2.gz FUJKNGMFSYUILC-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]C/C=C/c2ccccc2)C1 ZINC001268590837 1183393771 /nfs/dbraw/zinc/39/37/71/1183393771.db2.gz JWKLPNCHIAUPII-ZJRDZVFJSA-N 2 0 327.472 2.304 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001482173956 1183503082 /nfs/dbraw/zinc/50/30/82/1183503082.db2.gz UAYKLVGYIHCOSF-GDBMZVCRSA-N 2 0 338.521 2.105 10 0 EEAERP CN(CCC[NH2+]CCOC1CCCCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268783891 1183701735 /nfs/dbraw/zinc/70/17/35/1183701735.db2.gz OMNZXYLBXBUKQW-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(Cl)s1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268803318 1183721107 /nfs/dbraw/zinc/72/11/07/1183721107.db2.gz ZHSRMGVIVVYEPM-LBPRGKRZSA-N 2 0 344.912 2.219 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCc3ccccc3)CC2)C1 ZINC001269943255 1184733240 /nfs/dbraw/zinc/73/32/40/1184733240.db2.gz LCJLEXBMIUNSCI-FQEVSTJZSA-N 2 0 343.515 2.399 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001270020385 1184791352 /nfs/dbraw/zinc/79/13/52/1184791352.db2.gz ASYMVQLDSARRME-FUHWJXTLSA-N 2 0 333.451 2.043 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1cccc(C)c1)[NH+](C)C ZINC001270136690 1184877247 /nfs/dbraw/zinc/87/72/47/1184877247.db2.gz PJCHMYICYBFVQQ-HKUYNNGSSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncccc1C ZINC001482291573 1185122245 /nfs/dbraw/zinc/12/22/45/1185122245.db2.gz HFVDEKHLGISPCZ-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001482292257 1185126911 /nfs/dbraw/zinc/12/69/11/1185126911.db2.gz JZACZYXFIGSNND-GJZGRUSLSA-N 2 0 338.521 2.262 10 0 EEAERP CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482330246 1185412337 /nfs/dbraw/zinc/41/23/37/1185412337.db2.gz HYNYXZIJHHXSKL-CRAIPNDOSA-N 2 0 345.503 2.062 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001482445996 1185760274 /nfs/dbraw/zinc/76/02/74/1185760274.db2.gz NCFUWWWPIQUVGV-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001482455005 1185867189 /nfs/dbraw/zinc/86/71/89/1185867189.db2.gz KCMWVRBVYTWSKQ-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]C/C=C/Cl)CC1 ZINC001482456747 1185878311 /nfs/dbraw/zinc/87/83/11/1185878311.db2.gz SWUZIHFRFWIOAY-HYJLXUOHSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C[NH2+]C/C=C\Cl ZINC001271751714 1186460441 /nfs/dbraw/zinc/46/04/41/1186460441.db2.gz NTFBWDZGRUMMSI-MLVZXCIBSA-N 2 0 325.884 2.051 10 0 EEAERP CN(CC[N@H+](C)CCCCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001272048476 1187269666 /nfs/dbraw/zinc/26/96/66/1187269666.db2.gz HGGWXSSNBYKPDY-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP COCc1ccc(C[N@H+](C)CCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001482642246 1187473139 /nfs/dbraw/zinc/47/31/39/1187473139.db2.gz ATRWPCBCBZSUFX-IBGZPJMESA-N 2 0 347.503 2.065 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699698 1187677332 /nfs/dbraw/zinc/67/73/32/1187677332.db2.gz ZDHFDGOTEMVCIM-AEFFLSMTSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001482844099 1187762926 /nfs/dbraw/zinc/76/29/26/1187762926.db2.gz VYIHXOOSIKBQHQ-QGZVFWFLSA-N 2 0 344.503 2.250 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001482847512 1187765792 /nfs/dbraw/zinc/76/57/92/1187765792.db2.gz DXBDGXYQYKXKCN-GFCCVEGCSA-N 2 0 341.415 2.237 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(CC)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001482966793 1187903679 /nfs/dbraw/zinc/90/36/79/1187903679.db2.gz ILBULVXTRDKZQO-LJQANCHMSA-N 2 0 331.504 2.181 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482967414 1187904375 /nfs/dbraw/zinc/90/43/75/1187904375.db2.gz QOUSDEIZDLBXSH-SFHVURJKSA-N 2 0 340.471 2.125 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482970191 1187910980 /nfs/dbraw/zinc/91/09/80/1187910980.db2.gz PAEOXOVVDOSJTB-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccccn1)[NH+]1CCCCC1 ZINC001483011803 1187996511 /nfs/dbraw/zinc/99/65/11/1187996511.db2.gz RDHCHBBNUYQGJE-SREVYHEPSA-N 2 0 330.476 2.108 10 0 EEAERP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001691555608 1188258093 /nfs/dbraw/zinc/25/80/93/1188258093.db2.gz HOVVKLUBQDSQMH-JXMROGBWSA-N 2 0 326.444 2.449 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001483051028 1188294599 /nfs/dbraw/zinc/29/45/99/1188294599.db2.gz OWBGUMCVKLNHHZ-WDPZBSBESA-N 2 0 329.488 2.487 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001483051056 1188294604 /nfs/dbraw/zinc/29/46/04/1188294604.db2.gz PGTUQVHVKJWBED-PIGHNIFASA-N 2 0 335.517 2.283 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cn1 ZINC001483069415 1188415776 /nfs/dbraw/zinc/41/57/76/1188415776.db2.gz MPTOBCSKOOZLST-XDXAGZTOSA-N 2 0 348.466 2.246 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483140395 1188695806 /nfs/dbraw/zinc/69/58/06/1188695806.db2.gz FVQSQPIZRQTSDZ-MRXNPFEDSA-N 2 0 347.478 2.339 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001483145538 1188777440 /nfs/dbraw/zinc/77/74/40/1188777440.db2.gz POJLSXIFHMHUCD-CVEARBPZSA-N 2 0 345.487 2.479 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483198752 1189094711 /nfs/dbraw/zinc/09/47/11/1189094711.db2.gz YSIWNGCVSOCXQP-QAPCUYQASA-N 2 0 347.503 2.271 10 0 EEAERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001409452340 1189701094 /nfs/dbraw/zinc/70/10/94/1189701094.db2.gz TWCZQKCILHBSOE-AWEZNQCLSA-N 2 0 326.510 2.058 10 0 EEAERP C[C@@H](NC(=O)CN(C)Cc1ccccc1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001409477485 1189812187 /nfs/dbraw/zinc/81/21/87/1189812187.db2.gz UMCRERVJZFRPKH-IAGOWNOFSA-N 2 0 347.503 2.028 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001483272001 1190296780 /nfs/dbraw/zinc/29/67/80/1190296780.db2.gz GENWHDANQZCMNQ-YOEHRIQHSA-N 2 0 336.455 2.078 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001483297650 1190320445 /nfs/dbraw/zinc/32/04/45/1190320445.db2.gz AVQJDYZYDKMVRO-QFBILLFUSA-N 2 0 346.519 2.413 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001483441452 1190481954 /nfs/dbraw/zinc/48/19/54/1190481954.db2.gz ADMHSVRFWHUCHC-WBVHZDCISA-N 2 0 348.491 2.094 10 0 EEAERP C[C@H](NCCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1csnn1 ZINC001483492755 1190510264 /nfs/dbraw/zinc/51/02/64/1190510264.db2.gz JLRVQRXLENXODM-ZDUSSCGKSA-N 2 0 341.525 2.015 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001483498906 1190513611 /nfs/dbraw/zinc/51/36/11/1190513611.db2.gz AHJNZEVLUIIUOR-UVTDQMKNSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001483550579 1190534534 /nfs/dbraw/zinc/53/45/34/1190534534.db2.gz PSWUGLPSQQWSTJ-ROUUACIJSA-N 2 0 333.451 2.213 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1c(C)noc1C)C1CC1 ZINC001483563027 1190552195 /nfs/dbraw/zinc/55/21/95/1190552195.db2.gz FUDQQOYVTXWDNV-QZTJIDSGSA-N 2 0 348.491 2.150 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001483593286 1190577760 /nfs/dbraw/zinc/57/77/60/1190577760.db2.gz UZBLUROCAZXZJL-MOPGFXCFSA-N 2 0 344.503 2.329 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483599643 1190579432 /nfs/dbraw/zinc/57/94/32/1190579432.db2.gz VSITYARWPHFYAT-QAPCUYQASA-N 2 0 333.451 2.152 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCCCCF)C2)CC1 ZINC001272556018 1190877423 /nfs/dbraw/zinc/87/74/23/1190877423.db2.gz OMRGLQXQJHCYGP-INIZCTEOSA-N 2 0 327.488 2.296 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001272623791 1190936506 /nfs/dbraw/zinc/93/65/06/1190936506.db2.gz DDKWUPYZFHQTTF-GDBMZVCRSA-N 2 0 345.478 2.446 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483775104 1191018737 /nfs/dbraw/zinc/01/87/37/1191018737.db2.gz NCXYKWXDPVGFBU-HOTGVXAUSA-N 2 0 325.472 2.382 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483915100 1191114878 /nfs/dbraw/zinc/11/48/78/1191114878.db2.gz DMSCJAMATUMAQS-CHWSQXEVSA-N 2 0 333.398 2.004 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483943848 1191126186 /nfs/dbraw/zinc/12/61/86/1191126186.db2.gz YPGYFVFPJGSWDB-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCC1 ZINC001484007613 1191152391 /nfs/dbraw/zinc/15/23/91/1191152391.db2.gz YTUDBGIRBKPJHZ-DAASWOGBSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001484123103 1191222500 /nfs/dbraw/zinc/22/25/00/1191222500.db2.gz OADYSALWASFJNG-DHVVRSMGSA-N 2 0 325.884 2.053 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484160946 1191249143 /nfs/dbraw/zinc/24/91/43/1191249143.db2.gz QNRWBASDKKYUAS-IBGZPJMESA-N 2 0 348.491 2.186 10 0 EEAERP CCC[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCOCC1 ZINC001484184042 1191263260 /nfs/dbraw/zinc/26/32/60/1191263260.db2.gz UDVIXZSLPHUHEN-UHFFFAOYSA-N 2 0 347.503 2.069 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)[C@@H](c2ccccc2)C1 ZINC001484539535 1191405271 /nfs/dbraw/zinc/40/52/71/1191405271.db2.gz NVOAWCSFBKRTPP-QRQLOZEOSA-N 2 0 347.478 2.130 10 0 EEAERP CC(C)OCC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001484612449 1191437832 /nfs/dbraw/zinc/43/78/32/1191437832.db2.gz DFQXJDUEROUKIJ-UHFFFAOYSA-N 2 0 347.503 2.038 10 0 EEAERP COCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001484654741 1191458084 /nfs/dbraw/zinc/45/80/84/1191458084.db2.gz WHDYEYODUIDILN-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001484662737 1191462486 /nfs/dbraw/zinc/46/24/86/1191462486.db2.gz SQEYJDIPXAUHQD-OAHLLOKOSA-N 2 0 348.491 2.187 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001484724140 1191484983 /nfs/dbraw/zinc/48/49/83/1191484983.db2.gz NSSXSXZCZAGKIT-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001484870981 1191556386 /nfs/dbraw/zinc/55/63/86/1191556386.db2.gz ONBUXOAFSLZJBT-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cccc(Cl)n2)CC1 ZINC001484920651 1191575855 /nfs/dbraw/zinc/57/58/55/1191575855.db2.gz FTGFYYMDZSUZBE-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)s1 ZINC001484976994 1191596003 /nfs/dbraw/zinc/59/60/03/1191596003.db2.gz OWPUXXAJZSBOAM-DOMZBBRYSA-N 2 0 338.521 2.181 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001485040539 1191628176 /nfs/dbraw/zinc/62/81/76/1191628176.db2.gz JSGJGQRJVAAEKB-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485168264 1191671258 /nfs/dbraw/zinc/67/12/58/1191671258.db2.gz ZJPWOKURYFOYOJ-HZPDHXFCSA-N 2 0 330.476 2.001 10 0 EEAERP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485196815 1191682282 /nfs/dbraw/zinc/68/22/82/1191682282.db2.gz YGWUTEZFPKDMQW-KGLIPLIRSA-N 2 0 338.471 2.181 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001485225253 1191697080 /nfs/dbraw/zinc/69/70/80/1191697080.db2.gz HZYWXNNTEPDCOB-STQMWFEESA-N 2 0 325.403 2.043 10 0 EEAERP C[C@@H]([NH2+]Cc1nccs1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001485227688 1191697966 /nfs/dbraw/zinc/69/79/66/1191697966.db2.gz WXULVFXUGKHUMA-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485229633 1191698971 /nfs/dbraw/zinc/69/89/71/1191698971.db2.gz KKDHXYNGUZOICS-LSDHHAIUSA-N 2 0 336.455 2.080 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)n1 ZINC001485230398 1191699459 /nfs/dbraw/zinc/69/94/59/1191699459.db2.gz TVKSELPJBJDZDF-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)c1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001485289850 1191721143 /nfs/dbraw/zinc/72/11/43/1191721143.db2.gz WZTFGUNRRRJILD-VQIMIIECSA-N 2 0 347.503 2.077 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001485441814 1191786307 /nfs/dbraw/zinc/78/63/07/1191786307.db2.gz VKNHAQIXPPVKIY-UONOGXRCSA-N 2 0 337.430 2.353 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2C/C=C/Cl)C1 ZINC001485483564 1191800094 /nfs/dbraw/zinc/80/00/94/1191800094.db2.gz WZEABBVOHZMONS-RTWZZBQXSA-N 2 0 327.900 2.442 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](CC[C@@H]2CCCO2)CC3)CC1 ZINC001486149204 1193699935 /nfs/dbraw/zinc/69/99/35/1193699935.db2.gz OOIFRKSTOXBBQL-QKLQHJQFSA-N 2 0 349.519 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)cc2)C(C)(C)C1 ZINC001486246092 1193772629 /nfs/dbraw/zinc/77/26/29/1193772629.db2.gz DBPVFGCEWWKLAZ-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@@H]1CCCCO1)C(C)(C)C ZINC001486425383 1193939774 /nfs/dbraw/zinc/93/97/74/1193939774.db2.gz ZGLKQGDWSUWKSD-JKSUJKDBSA-N 2 0 327.513 2.016 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cnc(C)o2)CC1)[NH+](C)C ZINC001486449826 1193964332 /nfs/dbraw/zinc/96/43/32/1193964332.db2.gz RMTXEUJAXJFLGK-SUMWQHHRSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520542 1194042227 /nfs/dbraw/zinc/04/22/27/1194042227.db2.gz DVHXBFFKZXGMRJ-IEBWSBKVSA-N 2 0 349.519 2.178 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CCc2cccs2)CC1(C)C ZINC001410040996 1197514213 /nfs/dbraw/zinc/51/42/13/1197514213.db2.gz UVHYNKLAPZWSFM-INIZCTEOSA-N 2 0 337.533 2.459 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001410308626 1197670710 /nfs/dbraw/zinc/67/07/10/1197670710.db2.gz HSECPBPTZORFHA-IAGOWNOFSA-N 2 0 339.499 2.437 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001410308620 1197671014 /nfs/dbraw/zinc/67/10/14/1197671014.db2.gz HSECPBPTZORFHA-DLBZAZTESA-N 2 0 339.499 2.437 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001410310181 1197672912 /nfs/dbraw/zinc/67/29/12/1197672912.db2.gz KYWJVSDXCBMMSR-BBRMVZONSA-N 2 0 343.462 2.200 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001410352506 1197743302 /nfs/dbraw/zinc/74/33/02/1197743302.db2.gz SMGZSZOABGMRDK-KXBFYZLASA-N 2 0 329.488 2.206 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001410390003 1197790538 /nfs/dbraw/zinc/79/05/38/1197790538.db2.gz HSYDXWYTRCDTNW-IUODEOHRSA-N 2 0 326.872 2.012 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001410501667 1198056545 /nfs/dbraw/zinc/05/65/45/1198056545.db2.gz SZLCHMCBBOVPQY-WMZOPIPTSA-N 2 0 347.503 2.111 10 0 EEAERP C[C@@]1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C[NH2+]CCO1 ZINC000872175583 1198071216 /nfs/dbraw/zinc/07/12/16/1198071216.db2.gz JYUIVSVAROEXMC-SFHVURJKSA-N 2 0 328.416 2.167 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001410851443 1198502617 /nfs/dbraw/zinc/50/26/17/1198502617.db2.gz ICONEIYNOLUWNA-NVXWUHKLSA-N 2 0 349.523 2.074 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1ccccn1)CC2 ZINC001410901459 1198558079 /nfs/dbraw/zinc/55/80/79/1198558079.db2.gz KFEXVGOUCLQNEG-MJGOQNOKSA-N 2 0 330.476 2.037 10 0 EEAERP C[NH+]1CCC2(CCCN2C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810847974 1199762770 /nfs/dbraw/zinc/76/27/70/1199762770.db2.gz ROAGZXAHMSLXQX-SFHVURJKSA-N 2 0 325.472 2.286 10 0 EEAERP CC(C)[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccnc1 ZINC000870019026 1200410933 /nfs/dbraw/zinc/41/09/33/1200410933.db2.gz MXIVWMCHPRZABR-QRVBRYPASA-N 2 0 346.519 2.019 10 0 EEAERP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1F ZINC000870022024 1200411589 /nfs/dbraw/zinc/41/15/89/1200411589.db2.gz MZOIAVLTRFFHPT-BZUAXINKSA-N 2 0 335.467 2.127 10 0 EEAERP CSc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870024207 1200413072 /nfs/dbraw/zinc/41/30/72/1200413072.db2.gz KSTGXWSCFLXDSV-HZPDHXFCSA-N 2 0 335.517 2.220 10 0 EEAERP CC[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000870918855 1200952667 /nfs/dbraw/zinc/95/26/67/1200952667.db2.gz RSURJBAMWDIIKS-BSLVTKGXSA-N 2 0 341.499 2.472 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)C1CC[NH+](C)CC1 ZINC000866575064 1201551166 /nfs/dbraw/zinc/55/11/66/1201551166.db2.gz HEDBILKAAYKLHP-OAHLLOKOSA-N 2 0 330.476 2.032 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717875 1201588329 /nfs/dbraw/zinc/58/83/29/1201588329.db2.gz SHIRAFWSEVNEGK-CUXJHESGSA-N 2 0 344.455 2.326 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCC(F)(F)F ZINC001691726868 1204226728 /nfs/dbraw/zinc/22/67/28/1204226728.db2.gz DZBPQWYEBIEHOL-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP COCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001274237906 1204973295 /nfs/dbraw/zinc/97/32/95/1204973295.db2.gz DFPJQRLRVPKEDF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001274252133 1204977043 /nfs/dbraw/zinc/97/70/43/1204977043.db2.gz SXCJMJFLXOQKLO-SJORKVTESA-N 2 0 341.540 2.073 10 0 EEAERP CC1([NH2+]CCCF)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001274389508 1205019319 /nfs/dbraw/zinc/01/93/19/1205019319.db2.gz XJDYZSKTJYXYSY-UHFFFAOYSA-N 2 0 339.499 2.439 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]C[C@H]2CCCCO2)cc1 ZINC001274439271 1205038311 /nfs/dbraw/zinc/03/83/11/1205038311.db2.gz RQTNDJKUDXHXTN-VZSQWMKGSA-N 2 0 345.487 2.193 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572394 1205421573 /nfs/dbraw/zinc/42/15/73/1205421573.db2.gz VKWPIGSBZDWPKC-OLZOCXBDSA-N 2 0 326.872 2.058 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001279194997 1205458121 /nfs/dbraw/zinc/45/81/21/1205458121.db2.gz VJOVZAIXXXLVPB-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001276001364 1205628280 /nfs/dbraw/zinc/62/82/80/1205628280.db2.gz INGGQDNQXXJCCP-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000924806894 1206034601 /nfs/dbraw/zinc/03/46/01/1206034601.db2.gz GSUNVFJJSPEEGE-ZCQXEVHSSA-N 2 0 347.478 2.129 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C12CCC2 ZINC000925517031 1206122138 /nfs/dbraw/zinc/12/21/38/1206122138.db2.gz XBIRCKVIQYSQEP-BPLDGKMQSA-N 2 0 338.835 2.004 10 0 EEAERP O=C1COc2ccccc2N1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925575199 1206130853 /nfs/dbraw/zinc/13/08/53/1206130853.db2.gz QVZNKEGCMRKENQ-KRWDZBQOSA-N 2 0 329.444 2.066 10 0 EEAERP Brc1cnn(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925670993 1206142046 /nfs/dbraw/zinc/14/20/46/1206142046.db2.gz BQEQUAIZQPFDDL-ZDUSSCGKSA-N 2 0 327.270 2.300 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 ZINC000925734106 1206147727 /nfs/dbraw/zinc/14/77/27/1206147727.db2.gz NJVQMATYKFGZRN-JKQORVJESA-N 2 0 336.501 2.487 10 0 EEAERP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816981 1206157280 /nfs/dbraw/zinc/15/72/80/1206157280.db2.gz KLWDSFPTDUXFJA-VQTJNVASSA-N 2 0 331.504 2.387 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833300 1206158292 /nfs/dbraw/zinc/15/82/92/1206158292.db2.gz WFPGPOWCLDCHJT-BHZSWEIISA-N 2 0 326.440 2.423 10 0 EEAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(NS(C)(=O)=O)cc1 ZINC000925842297 1206159260 /nfs/dbraw/zinc/15/92/60/1206159260.db2.gz IVLJIVCDDMJJGU-KBRIMQKVSA-N 2 0 337.489 2.241 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1N(C)C ZINC000925856924 1206161861 /nfs/dbraw/zinc/16/18/61/1206161861.db2.gz OFQSXIPOCKXORR-LSDHHAIUSA-N 2 0 331.460 2.089 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925858047 1206162131 /nfs/dbraw/zinc/16/21/31/1206162131.db2.gz RPMUVBKQDWIISL-WBVHZDCISA-N 2 0 332.419 2.478 10 0 EEAERP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000926166253 1206200750 /nfs/dbraw/zinc/20/07/50/1206200750.db2.gz VUGWSMOTXPHOJT-HOTGVXAUSA-N 2 0 334.489 2.107 10 0 EEAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000926592322 1206230038 /nfs/dbraw/zinc/23/00/38/1206230038.db2.gz YCNYSPAHOOSZAP-IAGOWNOFSA-N 2 0 332.488 2.274 10 0 EEAERP C[NH+]1CCC(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000929501996 1206481160 /nfs/dbraw/zinc/48/11/60/1206481160.db2.gz CGAKVZDKBOBOPP-UHFFFAOYSA-N 2 0 345.487 2.009 10 0 EEAERP CC(C)[NH+]1CCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000929991424 1206526708 /nfs/dbraw/zinc/52/67/08/1206526708.db2.gz JORBLWVVUZLXJX-UHFFFAOYSA-N 2 0 347.503 2.112 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)C3(O)CCC3)C2)s1 ZINC000930373617 1206553186 /nfs/dbraw/zinc/55/31/86/1206553186.db2.gz MOCIXCMMVGILBX-DOTOQJQBSA-N 2 0 338.517 2.086 10 0 EEAERP C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)COc3ccc4cc[nH]c4c3)C2)C1 ZINC000930575599 1206567836 /nfs/dbraw/zinc/56/78/36/1206567836.db2.gz BOTLYZVCMJUZIW-FXAWDEMLSA-N 2 0 343.471 2.325 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000930663010 1206573658 /nfs/dbraw/zinc/57/36/58/1206573658.db2.gz FFVBQRNZBJLRKN-KBPBESRZSA-N 2 0 337.430 2.102 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000724627404 1230671129 /nfs/dbraw/zinc/67/11/29/1230671129.db2.gz HMKVDLPSUXGBQN-UVBQOVKKSA-N 2 0 330.472 2.291 10 0 EEAERP CC(C)C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000902981920 1239261620 /nfs/dbraw/zinc/26/16/20/1239261620.db2.gz SHDZXQKIYBUKGI-SFHVURJKSA-N 2 0 325.541 2.443 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1 ZINC000903435190 1240464988 /nfs/dbraw/zinc/46/49/88/1240464988.db2.gz QMIDTFOQUISDIN-GOEBONIOSA-N 2 0 326.444 2.053 10 0 EEAERP FC1(F)[C@@H]2C[C@@H](CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)C[C@@H]21 ZINC000903505658 1240712242 /nfs/dbraw/zinc/71/22/42/1240712242.db2.gz GWIGYRYNBXPKPB-WLARWPFNSA-N 2 0 325.447 2.178 10 0 EEAERP C[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000903932576 1242556905 /nfs/dbraw/zinc/55/69/05/1242556905.db2.gz DWJTZWJXRBOZDF-WMLDXEAASA-N 2 0 341.459 2.378 10 0 EEAERP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968551 1242784469 /nfs/dbraw/zinc/78/44/69/1242784469.db2.gz YBUUGAWGGVOMPB-OAGGEKHMSA-N 2 0 343.471 2.287 10 0 EEAERP CN(c1ccccc1CN1C[C@H]([NH3+])C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000903986532 1242879544 /nfs/dbraw/zinc/87/95/44/1242879544.db2.gz LRFHBIRLKZFFLJ-IBGZPJMESA-N 2 0 330.520 2.386 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474391 1248158347 /nfs/dbraw/zinc/15/83/47/1248158347.db2.gz YFKUHIRUNCKIDO-HIFRSBDPSA-N 2 0 338.883 2.424 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001491002317 1258558393 /nfs/dbraw/zinc/55/83/93/1258558393.db2.gz FXPJOPVVPOAVRT-ZIFCJYIRSA-N 2 0 345.487 2.013 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001491024623 1258581904 /nfs/dbraw/zinc/58/19/04/1258581904.db2.gz MCTLBZXPQUXEAQ-CALCHBBNSA-N 2 0 330.407 2.227 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491184268 1258749271 /nfs/dbraw/zinc/74/92/71/1258749271.db2.gz JPIAPHQZNUKDGX-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491280566 1258887496 /nfs/dbraw/zinc/88/74/96/1258887496.db2.gz HFPYMQXSQKCBJY-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CNC(=O)CCc1c[nH]cn1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001491478070 1259127948 /nfs/dbraw/zinc/12/79/48/1259127948.db2.gz YCURIUCMZSGVTJ-GHMZBOCLSA-N 2 0 333.263 2.021 10 0 EEAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001491486775 1259136403 /nfs/dbraw/zinc/13/64/03/1259136403.db2.gz OVUFVHDYSZAFNA-VXGBXAGGSA-N 2 0 344.912 2.265 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccc(Cl)nc1)C(=O)[C@H]1CCC[NH+]1C ZINC001273495543 1278592403 /nfs/dbraw/zinc/59/24/03/1278592403.db2.gz BCJFNVHLDBZVCT-OAHLLOKOSA-N 2 0 338.883 2.110 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)co1 ZINC001267887043 1276747215 /nfs/dbraw/zinc/74/72/15/1276747215.db2.gz ASBPTJUSRVBITI-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000850357777 1277197782 /nfs/dbraw/zinc/19/77/82/1277197782.db2.gz VFQKAEXKEFOBIW-BBRMVZONSA-N 2 0 347.484 2.053 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CC[C@H]1F ZINC000851658386 1277705001 /nfs/dbraw/zinc/70/50/01/1277705001.db2.gz XMLMJEFSNHIXNL-HZPDHXFCSA-N 2 0 328.476 2.113 10 0 EEAERP O=C(NCCCCCC1CC[NH+](CCF)CC1)C12CC[NH+](CC1)C2 ZINC001273815140 1286281170 /nfs/dbraw/zinc/28/11/70/1286281170.db2.gz XNTNCHRZXSLAEF-UHFFFAOYSA-N 2 0 339.499 2.440 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@H]2CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001488691030 1290132381 /nfs/dbraw/zinc/13/23/81/1290132381.db2.gz HNJJFOIGKBIPDA-FQEVSTJZSA-N 2 0 343.515 2.420 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001488953579 1290293232 /nfs/dbraw/zinc/29/32/32/1290293232.db2.gz DQANDGCMIWSRGZ-QYNSDQQJSA-N 2 0 327.900 2.345 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC001489097509 1290368814 /nfs/dbraw/zinc/36/88/14/1290368814.db2.gz ZTJDVNHGTMFAJU-KGLIPLIRSA-N 2 0 347.425 2.109 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001489240379 1290490685 /nfs/dbraw/zinc/49/06/85/1290490685.db2.gz MKAFKEKFYVBLIC-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1cc(C)on1 ZINC001490348728 1291167963 /nfs/dbraw/zinc/16/79/63/1291167963.db2.gz HABHTBDCLYNXSJ-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001490448756 1291315007 /nfs/dbraw/zinc/31/50/07/1291315007.db2.gz DJDHMTGFTRLJFS-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC2CC2)CC1 ZINC001490616448 1291526511 /nfs/dbraw/zinc/52/65/11/1291526511.db2.gz GSKMSLDEBWRYSZ-LJQANCHMSA-N 2 0 333.520 2.441 10 0 EEAERP O=C(C=C1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000852858221 1292218299 /nfs/dbraw/zinc/21/82/99/1292218299.db2.gz VEJMLHOQKUDTPY-UHFFFAOYSA-N 2 0 331.435 2.216 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C=C1CC[NH2+]CC1 ZINC000852872144 1292223233 /nfs/dbraw/zinc/22/32/33/1292223233.db2.gz IPQYWUHXAVTKFU-UHFFFAOYSA-N 2 0 335.414 2.419 10 0 EEAERP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000858677163 1294189402 /nfs/dbraw/zinc/18/94/02/1294189402.db2.gz SUXRCVQRYKVWSP-RTBURBONSA-N 2 0 341.499 2.357 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000863643876 1296361330 /nfs/dbraw/zinc/36/13/30/1296361330.db2.gz ZVZKEHBFXGTKEG-RBUKOAKNSA-N 2 0 341.455 2.321 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)CCC[NH+](C)C)C2)s1 ZINC001491119050 1299607278 /nfs/dbraw/zinc/60/72/78/1299607278.db2.gz BHRZZJGMOQHAHQ-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1ccccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277148839 1301514251 /nfs/dbraw/zinc/51/42/51/1301514251.db2.gz WXLDIBQVELQLFQ-MAUKXSAKSA-N 2 0 335.467 2.337 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001277193539 1301774103 /nfs/dbraw/zinc/77/41/03/1301774103.db2.gz ICRVDPZOMVHCMX-LZLYRXPVSA-N 2 0 332.492 2.105 10 0 EEAERP CN(C(=O)COC1CC[NH+](C)CC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001277675307 1304156821 /nfs/dbraw/zinc/15/68/21/1304156821.db2.gz DJQWEMWHMXTUKY-UHFFFAOYSA-N 2 0 349.519 2.130 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001278018246 1305697216 /nfs/dbraw/zinc/69/72/16/1305697216.db2.gz ZCFKNOSASITQHL-NVXWUHKLSA-N 2 0 335.467 2.147 10 0 EEAERP Cc1csc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001278313974 1309330807 /nfs/dbraw/zinc/33/08/07/1309330807.db2.gz AGGQLNPGSFMVIS-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001278411530 1310136549 /nfs/dbraw/zinc/13/65/49/1310136549.db2.gz SGFAWSCDBJPDLC-LZCSOBMZSA-N 2 0 337.508 2.033 10 0 EEAERP C[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCCCC1 ZINC000841723966 1315603885 /nfs/dbraw/zinc/60/38/85/1315603885.db2.gz CADKVNKFWYJHKG-QGZVFWFLSA-N 2 0 332.492 2.074 10 0 EEAERP COCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264015053 1322584602 /nfs/dbraw/zinc/58/46/02/1322584602.db2.gz PWXKQAPJEMMQIL-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1)C1CCC1 ZINC001264091302 1322616935 /nfs/dbraw/zinc/61/69/35/1322616935.db2.gz XJUVBKRDCNPRJM-SJORKVTESA-N 2 0 339.499 2.391 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001264180615 1322650837 /nfs/dbraw/zinc/65/08/37/1322650837.db2.gz KJBXRULHCLWUDD-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP COc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)ccc1C ZINC001264970308 1322821932 /nfs/dbraw/zinc/82/19/32/1322821932.db2.gz CWIUBHOITKEZND-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001265007310 1322853385 /nfs/dbraw/zinc/85/33/85/1322853385.db2.gz MADCSYZRXLPDHM-UHFFFAOYSA-N 2 0 345.487 2.262 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC[C@H]1CC1(Cl)Cl ZINC001265058287 1322898632 /nfs/dbraw/zinc/89/86/32/1322898632.db2.gz OJCUHPBUTBZEEE-ZDUSSCGKSA-N 2 0 348.318 2.104 10 0 EEAERP C[C@H]1C[C@H](C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001265072848 1322907886 /nfs/dbraw/zinc/90/78/86/1322907886.db2.gz HUGLHLULYYHVSS-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001265458430 1323166092 /nfs/dbraw/zinc/16/60/92/1323166092.db2.gz WRFVTGJTQGTYNM-SFHVURJKSA-N 2 0 345.487 2.132 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265706568 1323342903 /nfs/dbraw/zinc/34/29/03/1323342903.db2.gz XIXSZJVLZZEKNR-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccccn1 ZINC001265880049 1323450937 /nfs/dbraw/zinc/45/09/37/1323450937.db2.gz BYXMROOAHPIANZ-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H]1C[C@H](C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001265902158 1323471659 /nfs/dbraw/zinc/47/16/59/1323471659.db2.gz JVYQOTDEMRJLOP-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH+](C)CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001265910193 1323479717 /nfs/dbraw/zinc/47/97/17/1323479717.db2.gz RFFVZZWXPVOOBE-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001265945343 1323509144 /nfs/dbraw/zinc/50/91/44/1323509144.db2.gz JTALGHPOSZKYHO-IBGZPJMESA-N 2 0 329.488 2.214 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1ncccc1C ZINC001266095285 1323656868 /nfs/dbraw/zinc/65/68/68/1323656868.db2.gz STDDYQCORNLENY-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP CO[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119300 1323689422 /nfs/dbraw/zinc/68/94/22/1323689422.db2.gz BONQTXLVBCFDAC-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001279687103 1323978697 /nfs/dbraw/zinc/97/86/97/1323978697.db2.gz FDHZAXAFRQZINQ-SHCNBLLESA-N 2 0 349.519 2.059 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001280307233 1324151356 /nfs/dbraw/zinc/15/13/56/1324151356.db2.gz KLUALJOTICEQHV-MRXNPFEDSA-N 2 0 335.467 2.494 10 0 EEAERP COCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001280355238 1324169540 /nfs/dbraw/zinc/16/95/40/1324169540.db2.gz ZLPCGCJLPHLGGT-KRWDZBQOSA-N 2 0 347.503 2.332 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)C1 ZINC001280458214 1324236881 /nfs/dbraw/zinc/23/68/81/1324236881.db2.gz UOLIWEWPSQAODD-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP CCOCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001281300526 1324945614 /nfs/dbraw/zinc/94/56/14/1324945614.db2.gz XUQVXYGBKGLQLM-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001281498944 1325175000 /nfs/dbraw/zinc/17/50/00/1325175000.db2.gz SXSXKZKKMZYORS-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCF)(c2ccccc2)CC1 ZINC001281586004 1325325307 /nfs/dbraw/zinc/32/53/07/1325325307.db2.gz GLJKGWRBFXAMHT-GOSISDBHSA-N 2 0 347.478 2.200 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001282228520 1325656891 /nfs/dbraw/zinc/65/68/91/1325656891.db2.gz IXODZZFZMTXLFF-MSOLQXFVSA-N 2 0 347.503 2.261 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001282269253 1325673109 /nfs/dbraw/zinc/67/31/09/1325673109.db2.gz ACEKVTGZDFLSFJ-AOCRQIFASA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001282976955 1325863875 /nfs/dbraw/zinc/86/38/75/1325863875.db2.gz AGKPIQMHOZBGIJ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001283051354 1325901074 /nfs/dbraw/zinc/90/10/74/1325901074.db2.gz IALMQYGGOBGTRY-IHRRRGAJSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001283077433 1325910949 /nfs/dbraw/zinc/91/09/49/1325910949.db2.gz DJGRCHAMJXKJIQ-DQFTWKJFSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001491603445 1330200796 /nfs/dbraw/zinc/20/07/96/1330200796.db2.gz TZYQWRDSFSMGQL-FUHWJXTLSA-N 2 0 332.492 2.247 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001491685751 1330205679 /nfs/dbraw/zinc/20/56/79/1330205679.db2.gz YXFXZLXQSJPQIW-MAUKXSAKSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)C[NH2+]CCc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001491902247 1330297031 /nfs/dbraw/zinc/29/70/31/1330297031.db2.gz MTWDRZKAFWLZHI-IBGZPJMESA-N 2 0 331.504 2.433 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCCCCF)CC[C@@H]2C1 ZINC001316758928 1331812171 /nfs/dbraw/zinc/81/21/71/1331812171.db2.gz ANUPGAWRHZLFPK-SJORKVTESA-N 2 0 327.488 2.247 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001316789323 1331895295 /nfs/dbraw/zinc/89/52/95/1331895295.db2.gz PBJGFZZRANTASQ-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316851339 1331934542 /nfs/dbraw/zinc/93/45/42/1331934542.db2.gz VDJUTTFLJOLYBM-GOSISDBHSA-N 2 0 345.503 2.062 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316878287 1331946042 /nfs/dbraw/zinc/94/60/42/1331946042.db2.gz MBZSJOSEGQMLDW-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317177802 1332115957 /nfs/dbraw/zinc/11/59/57/1332115957.db2.gz YYCBWMPAWLSCGB-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001317307890 1332173249 /nfs/dbraw/zinc/17/32/49/1332173249.db2.gz WZBBWNCPLKGUCX-HKUYNNGSSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317427571 1332231198 /nfs/dbraw/zinc/23/11/98/1332231198.db2.gz PUTSETYVOPILQE-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001317665091 1332358841 /nfs/dbraw/zinc/35/88/41/1332358841.db2.gz OCIKSAXLIVEBNS-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCCCF)C1CCC1 ZINC001317739058 1332393813 /nfs/dbraw/zinc/39/38/13/1332393813.db2.gz WRYLORKJNOGSDG-CALCHBBNSA-N 2 0 325.472 2.286 10 0 EEAERP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001318479058 1332547881 /nfs/dbraw/zinc/54/78/81/1332547881.db2.gz OGITXSUEGYGLKM-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001319472229 1332707755 /nfs/dbraw/zinc/70/77/55/1332707755.db2.gz HVGFHDHPGYOFEH-KRWDZBQOSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001319559318 1332721174 /nfs/dbraw/zinc/72/11/74/1332721174.db2.gz DMXVNQGLAMVBCJ-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)o1 ZINC001320111763 1332829446 /nfs/dbraw/zinc/82/94/46/1332829446.db2.gz QKZBEIUYNCHWGX-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320421128 1332879708 /nfs/dbraw/zinc/87/97/08/1332879708.db2.gz JLRGPZFIKNMMOL-FRQCXROJSA-N 2 0 346.519 2.077 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2cc(C)ns2)CC[N@@H+]1C ZINC001320736504 1332943033 /nfs/dbraw/zinc/94/30/33/1332943033.db2.gz CKNADWPOLXCLHO-JKSUJKDBSA-N 2 0 338.521 2.120 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001321065580 1333009481 /nfs/dbraw/zinc/00/94/81/1333009481.db2.gz UWZXCAKAUQUNMT-KROLTMCQSA-N 2 0 331.504 2.171 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001321110767 1333021920 /nfs/dbraw/zinc/02/19/20/1333021920.db2.gz NRKYXKIZXPMTCI-RWCKICOTSA-N 2 0 331.451 2.414 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001321208621 1333044791 /nfs/dbraw/zinc/04/47/91/1333044791.db2.gz BAPOACBWXBVOEA-DDKKJVIOSA-N 2 0 345.462 2.417 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001321347653 1333080241 /nfs/dbraw/zinc/08/02/41/1333080241.db2.gz APVQQOOBOALNSX-OGZRUICASA-N 2 0 338.883 2.083 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001321406138 1333096750 /nfs/dbraw/zinc/09/67/50/1333096750.db2.gz UUALAOBKXYCSEX-PLNGDYQASA-N 2 0 329.488 2.470 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001322543949 1333279855 /nfs/dbraw/zinc/27/98/55/1333279855.db2.gz PWUZUWOFEYGXFQ-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCOC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001324179646 1333629283 /nfs/dbraw/zinc/62/92/83/1333629283.db2.gz BQWFQYHZVUBIRZ-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCCOc1ccccc1 ZINC001324273513 1333646977 /nfs/dbraw/zinc/64/69/77/1333646977.db2.gz MLOYBNWQNJQVIB-SFHVURJKSA-N 2 0 345.487 2.132 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001324273284 1333647050 /nfs/dbraw/zinc/64/70/50/1333647050.db2.gz JTUMJNBUONDFJN-KRWDZBQOSA-N 2 0 335.517 2.357 10 0 EEAERP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001324817413 1333766421 /nfs/dbraw/zinc/76/64/21/1333766421.db2.gz IEBAIBZSMITPTM-APWZRJJASA-N 2 0 347.507 2.098 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326410549 1334087044 /nfs/dbraw/zinc/08/70/44/1334087044.db2.gz ACPWLDAZZMBBEM-PMACEKPBSA-N 2 0 343.515 2.399 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC001326433768 1334093472 /nfs/dbraw/zinc/09/34/72/1334093472.db2.gz YMGJCDHAZKKBQQ-MOPGFXCFSA-N 2 0 347.478 2.436 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001327901874 1334361817 /nfs/dbraw/zinc/36/18/17/1334361817.db2.gz KYBFTRMJTDEUDR-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP C[C@@H](C(=O)NC1(C[NH2+]CCCO)CCCCC1)[NH+]1CCCCCC1 ZINC001329849681 1334726766 /nfs/dbraw/zinc/72/67/66/1334726766.db2.gz SJGXTRYDENQHAH-KRWDZBQOSA-N 2 0 339.524 2.042 10 0 EEAERP COCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001330055567 1334770729 /nfs/dbraw/zinc/77/07/29/1334770729.db2.gz VAGZQBTVLNGPFX-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001330210887 1334804997 /nfs/dbraw/zinc/80/49/97/1334804997.db2.gz RIYBNGKQPSDMEZ-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccnn1C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001330812198 1334907368 /nfs/dbraw/zinc/90/73/68/1334907368.db2.gz NESAPYWGQYVVIN-MRXNPFEDSA-N 2 0 349.523 2.059 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccns1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330948571 1334932894 /nfs/dbraw/zinc/93/28/94/1334932894.db2.gz SSIGFAUIDDYWAO-HNNXBMFYSA-N 2 0 338.521 2.250 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001331267270 1334987312 /nfs/dbraw/zinc/98/73/12/1334987312.db2.gz DYAAYSGDRXKLAU-OALUTQOASA-N 2 0 329.488 2.150 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2=CC[NH+](CC3CC3)CC2)C1 ZINC001333405696 1336037374 /nfs/dbraw/zinc/03/73/74/1336037374.db2.gz JBDJOGJDIJLTTN-IBGZPJMESA-N 2 0 337.483 2.357 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480304126 1337978832 /nfs/dbraw/zinc/97/88/32/1337978832.db2.gz JDLQUUVBAOBBDV-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Cc1ccccc1 ZINC000849094618 1338837915 /nfs/dbraw/zinc/83/79/15/1338837915.db2.gz DKZWTWMLNQGBNZ-SJLPKXTDSA-N 2 0 332.492 2.185 10 0 EEAERP C[C@@H]1CCCN(C(=[NH2+])NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849117723 1339146369 /nfs/dbraw/zinc/14/63/69/1339146369.db2.gz SDFUDZVAVVIVKL-QGZVFWFLSA-N 2 0 344.503 2.270 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001668614170 1355973013 /nfs/dbraw/zinc/97/30/13/1355973013.db2.gz MLMPAYUGNPNMEE-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001436353934 1342047362 /nfs/dbraw/zinc/04/73/62/1342047362.db2.gz RAQDWEWWNLOGJW-PLHMQQLSSA-N 2 0 325.884 2.099 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001436392031 1342068501 /nfs/dbraw/zinc/06/85/01/1342068501.db2.gz KNHYZLPVICMXAR-BRWVUGGUSA-N 2 0 348.491 2.232 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001566613575 1342580543 /nfs/dbraw/zinc/58/05/43/1342580543.db2.gz IVQBJPLVVHORBW-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001567180554 1342705941 /nfs/dbraw/zinc/70/59/41/1342705941.db2.gz FPLHSNGGAKIZME-YJBOKZPZSA-N 2 0 335.467 2.277 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001567259804 1342724414 /nfs/dbraw/zinc/72/44/14/1342724414.db2.gz IZKSIAOBWPFOFY-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567496819 1342770026 /nfs/dbraw/zinc/77/00/26/1342770026.db2.gz YVIDRNMVRUTKAH-MRXNPFEDSA-N 2 0 343.462 2.202 10 0 EEAERP CN(CCNCc1c(Cl)cccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567605127 1342792057 /nfs/dbraw/zinc/79/20/57/1342792057.db2.gz UKBLONMCKWSSIN-LBPRGKRZSA-N 2 0 344.286 2.493 10 0 EEAERP C[C@@H]([NH2+]CCCC1CCOCC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001570630931 1343094647 /nfs/dbraw/zinc/09/46/47/1343094647.db2.gz NRZITEUYFQLFJK-CVEARBPZSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)C[NH+]1CCCC1 ZINC001676781734 1357198761 /nfs/dbraw/zinc/19/87/61/1357198761.db2.gz CVPYSRUEOHUMBZ-APWZRJJASA-N 2 0 347.478 2.433 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001677048231 1357269382 /nfs/dbraw/zinc/26/93/82/1357269382.db2.gz NOKAIDDLPCYIBK-ZIAGYGMSSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001677297824 1357309295 /nfs/dbraw/zinc/30/92/95/1357309295.db2.gz QUJIVNBLUQAZJZ-GFCCVEGCSA-N 2 0 335.414 2.155 10 0 EEAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001647244237 1353204688 /nfs/dbraw/zinc/20/46/88/1353204688.db2.gz RNGSJGOSOGWDFW-INDMIFKZSA-N 2 0 327.472 2.237 10 0 EEAERP COc1ccc(C[C@@H](C)[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC001650014809 1353688582 /nfs/dbraw/zinc/68/85/82/1353688582.db2.gz JIISYJGJONUFPP-NVXWUHKLSA-N 2 0 343.475 2.274 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001661510433 1354647742 /nfs/dbraw/zinc/64/77/42/1354647742.db2.gz BCQHUJZZMJKPIB-IYARVYRRSA-N 2 0 335.467 2.335 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001661897095 1354720749 /nfs/dbraw/zinc/72/07/49/1354720749.db2.gz ZTWSSXPQXLEMKH-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)ccc2c[nH+]cn21 ZINC001662650276 1354820091 /nfs/dbraw/zinc/82/00/91/1354820091.db2.gz OWDODJFUDKORNK-OLVMAOTFSA-N 2 0 332.835 2.447 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001662713313 1354830345 /nfs/dbraw/zinc/83/03/45/1354830345.db2.gz ZSYKSWJDIAUEFX-SFHVURJKSA-N 2 0 331.504 2.411 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001663634888 1355007324 /nfs/dbraw/zinc/00/73/24/1355007324.db2.gz YZWKBYIAAMZBCI-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001664093288 1355090807 /nfs/dbraw/zinc/09/08/07/1355090807.db2.gz KTHZNHJTNBZNSR-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[NH2+]Cc1cccc2ccccc21)C(=O)C[NH+]1CCCC1 ZINC001664369761 1355147966 /nfs/dbraw/zinc/14/79/66/1355147966.db2.gz JXARRLNWNBZEIA-UHFFFAOYSA-N 2 0 325.456 2.484 10 0 EEAERP COCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001664436799 1355163411 /nfs/dbraw/zinc/16/34/11/1355163411.db2.gz IHOUYSFGNZZQNE-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001666214371 1355486216 /nfs/dbraw/zinc/48/62/16/1355486216.db2.gz IOKQJJFGJABDNC-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cc(C)no2)CC1 ZINC001666256403 1355497780 /nfs/dbraw/zinc/49/77/80/1355497780.db2.gz LJHHBWVTEJPTNA-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H](C(=O)NCc1ccc(C[NH2+]CCCO)cc1)[NH+]1CCCCCC1 ZINC001666344642 1355514098 /nfs/dbraw/zinc/51/40/98/1355514098.db2.gz MAIVDOHSTHZSCF-KRWDZBQOSA-N 2 0 347.503 2.039 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992018 1355628681 /nfs/dbraw/zinc/62/86/81/1355628681.db2.gz JXHWNFQAVZQZPZ-YJBOKZPZSA-N 2 0 345.503 2.060 10 0 EEAERP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001667024538 1355634798 /nfs/dbraw/zinc/63/47/98/1355634798.db2.gz ZURUTSAWISDXDL-INIZCTEOSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCCF ZINC001667210464 1355675046 /nfs/dbraw/zinc/67/50/46/1355675046.db2.gz JFNUNMJTIMNCRE-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CCN(CC[NH2+]CCC1CC1)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001668435894 1355940538 /nfs/dbraw/zinc/94/05/38/1355940538.db2.gz XZEUOPSRJBDXDN-QGZVFWFLSA-N 2 0 333.480 2.028 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)CC[NH+](C)C ZINC001668541829 1355959868 /nfs/dbraw/zinc/95/98/68/1355959868.db2.gz FIXREKMCRKTYFK-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668826548 1356014357 /nfs/dbraw/zinc/01/43/57/1356014357.db2.gz APKBUXWNGNCLCM-AATRIKPKSA-N 2 0 334.464 2.010 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC2(CCC2)C1)C12CCC[NH+]1CCC2 ZINC001668911249 1356041837 /nfs/dbraw/zinc/04/18/37/1356041837.db2.gz GEYHUVQTYMULKM-UPHRSURJSA-N 2 0 331.504 2.457 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001669000757 1356064426 /nfs/dbraw/zinc/06/44/26/1356064426.db2.gz DZCFKZKLZLKSAF-CKBPIOJVSA-N 2 0 347.478 2.361 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccns1)[NH+]1CCCCCC1 ZINC001669075165 1356085195 /nfs/dbraw/zinc/08/51/95/1356085195.db2.gz LQNJJBSNZZSYQF-FOSCPCJNSA-N 2 0 336.505 2.170 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC001669146840 1356107166 /nfs/dbraw/zinc/10/71/66/1356107166.db2.gz YCZLHJQDBGHZTI-ZMBJWTFHSA-N 2 0 340.471 2.337 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001669182853 1356118648 /nfs/dbraw/zinc/11/86/48/1356118648.db2.gz ISHJNZGGGULZEO-DUMMIQTOSA-N 2 0 329.488 2.326 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001669182293 1356118844 /nfs/dbraw/zinc/11/88/44/1356118844.db2.gz BWIYASWXYJEXBX-KZSQQDEKSA-N 2 0 337.414 2.338 10 0 EEAERP CO[C@H](C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001670143717 1356284252 /nfs/dbraw/zinc/28/42/52/1356284252.db2.gz HRIVICZFQZIXHG-RTBURBONSA-N 2 0 347.503 2.297 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)n1 ZINC001670232715 1356300462 /nfs/dbraw/zinc/30/04/62/1356300462.db2.gz ASAJVOHRBUEJNH-UHFFFAOYSA-N 2 0 346.519 2.485 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CCc3cccs3)C2)C1 ZINC001671800200 1356417093 /nfs/dbraw/zinc/41/70/93/1356417093.db2.gz GWTMHFTUZNIEPA-VQIMIIECSA-N 2 0 349.544 2.461 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001672815006 1356590328 /nfs/dbraw/zinc/59/03/28/1356590328.db2.gz CNTAXOZMQOCCDJ-SJLPKXTDSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001673230087 1356655866 /nfs/dbraw/zinc/65/58/66/1356655866.db2.gz HEDQXXKJIICNFN-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCC)CC1(C)C ZINC001674017475 1356774540 /nfs/dbraw/zinc/77/45/40/1356774540.db2.gz DKHJANTYKNMULW-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCCCF ZINC001674141260 1356796411 /nfs/dbraw/zinc/79/64/11/1356796411.db2.gz KFNFCALFLSUALO-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001674551323 1356857507 /nfs/dbraw/zinc/85/75/07/1356857507.db2.gz NXUZEEWRRCGAJB-UHFFFAOYSA-N 2 0 347.478 2.337 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001674720813 1356883287 /nfs/dbraw/zinc/88/32/87/1356883287.db2.gz CWIGJKARADVTBR-CHWSQXEVSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966276 1357079345 /nfs/dbraw/zinc/07/93/45/1357079345.db2.gz NICLGYXYPCNKHS-GOEBONIOSA-N 2 0 347.507 2.062 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692121021 1404982873 /nfs/dbraw/zinc/98/28/73/1404982873.db2.gz MIAHSKOQUKWIBE-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1 ZINC001699112597 1405268375 /nfs/dbraw/zinc/26/83/75/1405268375.db2.gz MRTRLDQBDKIFJM-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001699140752 1405290287 /nfs/dbraw/zinc/29/02/87/1405290287.db2.gz ORZUFLVIJYIPHR-RHSMWYFYSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@@H]([NH2+]CCCc1ccsc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001699944836 1405594217 /nfs/dbraw/zinc/59/42/17/1405594217.db2.gz PSBGCFGZMLGCRY-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001699976410 1405618920 /nfs/dbraw/zinc/61/89/20/1405618920.db2.gz ODUUIXPJXWPKIS-ULQDDVLXSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[N@@H+]1C ZINC000921355732 773302898 /nfs/dbraw/zinc/30/28/98/773302898.db2.gz SJHHJRBMXFGNBG-ZAWLATJESA-N 2 0 344.503 2.431 10 0 EEAERP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C[NH+](C)C ZINC000921388299 773327948 /nfs/dbraw/zinc/32/79/48/773327948.db2.gz FNBTVSYVJSDHEH-RDJZCZTQSA-N 2 0 349.523 2.350 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000925808997 777385047 /nfs/dbraw/zinc/38/50/47/777385047.db2.gz GLRCTEMOHDEFMM-MRXNPFEDSA-N 2 0 338.293 2.449 10 0 EEAERP C[N@H+](CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[C@@H]1CCSC1 ZINC000908497856 785457117 /nfs/dbraw/zinc/45/71/17/785457117.db2.gz FLLLFKYWEMVWLL-MRXNPFEDSA-N 2 0 339.549 2.195 10 0 EEAERP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183342 788891030 /nfs/dbraw/zinc/89/10/30/788891030.db2.gz YHHZPMICMQWRMY-KRWDZBQOSA-N 2 0 333.476 2.368 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925341166 788968266 /nfs/dbraw/zinc/96/82/66/788968266.db2.gz GDHCELNQQPQOSF-AYBZRNKSSA-N 2 0 330.476 2.043 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)ccn2)CC1 ZINC000921538333 789119834 /nfs/dbraw/zinc/11/98/34/789119834.db2.gz IQGCIALAFSXJDH-IPMKNSEASA-N 2 0 344.503 2.128 10 0 EEAERP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298916 789331661 /nfs/dbraw/zinc/33/16/61/789331661.db2.gz ZADGCOYFNCMDPR-INIZCTEOSA-N 2 0 331.460 2.024 10 0 EEAERP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)NC(C1CC1)C1CC1 ZINC000923503296 789670141 /nfs/dbraw/zinc/67/01/41/789670141.db2.gz INUCQUGZPDHIRL-HNNXBMFYSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923497943 789673441 /nfs/dbraw/zinc/67/34/41/789673441.db2.gz GQDSZUWOHBEKNF-IUODEOHRSA-N 2 0 344.484 2.326 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713432079 794597971 /nfs/dbraw/zinc/59/79/71/794597971.db2.gz LNPBIMHNGRLOOG-NFBUACBFSA-N 2 0 327.472 2.237 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000914080274 794843470 /nfs/dbraw/zinc/84/34/70/794843470.db2.gz BXYHDLHAKJLQMS-SJLPKXTDSA-N 2 0 347.507 2.248 10 0 EEAERP O=C1CCCN1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716673913 796405705 /nfs/dbraw/zinc/40/57/05/796405705.db2.gz RRENBCUULBOABB-OTWHNJEPSA-N 2 0 327.472 2.252 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)ccn1 ZINC000921942105 798276852 /nfs/dbraw/zinc/27/68/52/798276852.db2.gz OBKYWPLELOCXCX-RCCFBDPRSA-N 2 0 333.476 2.317 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001566075832 1125548731 /nfs/dbraw/zinc/54/87/31/1125548731.db2.gz WZZSSNVUGRKHCL-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H]1CCc2ccccc2C1 ZINC001566439674 1125601697 /nfs/dbraw/zinc/60/16/97/1125601697.db2.gz HJTIMFHLXFGYOE-PXNSSMCTSA-N 2 0 343.515 2.324 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1OC1CC1 ZINC001566516240 1125687590 /nfs/dbraw/zinc/68/75/90/1125687590.db2.gz DNJKZRGIPOZLIG-QGZVFWFLSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001436401295 1087748113 /nfs/dbraw/zinc/74/81/13/1087748113.db2.gz GFVATYUKQCHOON-QAQDUYKDSA-N 2 0 348.491 2.234 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001436477671 1087950832 /nfs/dbraw/zinc/95/08/32/1087950832.db2.gz POUJAECRUAGUOG-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001436893311 1088543322 /nfs/dbraw/zinc/54/33/22/1088543322.db2.gz FUAQNWXHFIYVQW-DBYYDSSQSA-N 2 0 339.483 2.278 10 0 EEAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001437029818 1088841511 /nfs/dbraw/zinc/84/15/11/1088841511.db2.gz CBJPBRBFESRTAU-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cncc(F)c1 ZINC001437210838 1089290022 /nfs/dbraw/zinc/29/00/22/1089290022.db2.gz DOFLKUFEBVEBFY-GJZGRUSLSA-N 2 0 336.455 2.080 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)c1Cl ZINC001437262509 1089407230 /nfs/dbraw/zinc/40/72/30/1089407230.db2.gz PJMUKEZIELLDOM-CYBMUJFWSA-N 2 0 341.883 2.283 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001437265660 1089412408 /nfs/dbraw/zinc/41/24/08/1089412408.db2.gz QOKPPACDBQOKRI-BBRMVZONSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437543477 1089999537 /nfs/dbraw/zinc/99/95/37/1089999537.db2.gz XGQHSWQKMRZPFB-MRXNPFEDSA-N 2 0 341.499 2.380 10 0 EEAERP Cc1ccccc1C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437673178 1090203068 /nfs/dbraw/zinc/20/30/68/1090203068.db2.gz ALAZAJHQPGJJDE-LPHOPBHVSA-N 2 0 329.488 2.417 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(C)nc1C ZINC001437768959 1090350283 /nfs/dbraw/zinc/35/02/83/1090350283.db2.gz PGXIGSSGYDOBQF-UHFFFAOYSA-N 2 0 332.492 2.122 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001437914189 1090496719 /nfs/dbraw/zinc/49/67/19/1090496719.db2.gz CHOZHYKUMDHYIC-JFIYKMOQSA-N 2 0 347.478 2.494 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001438162484 1090676001 /nfs/dbraw/zinc/67/60/01/1090676001.db2.gz VUMNVBOCOLZFJE-HNNXBMFYSA-N 2 0 331.451 2.200 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC001438268141 1090749974 /nfs/dbraw/zinc/74/99/74/1090749974.db2.gz PSFMQMUJAZKITI-OAHLLOKOSA-N 2 0 338.521 2.134 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cccnc1C ZINC001438321722 1090796883 /nfs/dbraw/zinc/79/68/83/1090796883.db2.gz ITHSMXVHZUFCES-KRWDZBQOSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438331231 1090805077 /nfs/dbraw/zinc/80/50/77/1090805077.db2.gz KNPIJPKANDHHHH-FUHWJXTLSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001438788325 1091389263 /nfs/dbraw/zinc/38/92/63/1091389263.db2.gz FYOOYDSNSLOFPG-MSOLQXFVSA-N 2 0 335.467 2.459 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccns1 ZINC001438805386 1091413275 /nfs/dbraw/zinc/41/32/75/1091413275.db2.gz ASZGQGIFWMJHPC-OFQRWUPVSA-N 2 0 338.521 2.104 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445646115 1091434818 /nfs/dbraw/zinc/43/48/18/1091434818.db2.gz DZNDENRZSJXLNZ-NWDGAFQWSA-N 2 0 327.831 2.025 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC001438842031 1091474784 /nfs/dbraw/zinc/47/47/84/1091474784.db2.gz QITSGXYIFYHMCR-IRXDYDNUSA-N 2 0 341.540 2.121 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)CC[C@H]32)c1 ZINC001438950137 1091639914 /nfs/dbraw/zinc/63/99/14/1091639914.db2.gz MALKGQLYEOCIAX-RTBURBONSA-N 2 0 329.488 2.370 10 0 EEAERP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001445832750 1091725631 /nfs/dbraw/zinc/72/56/31/1091725631.db2.gz ORNKYIUPJQKXMN-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2c(C)noc2C)C1 ZINC001439152349 1091794457 /nfs/dbraw/zinc/79/44/57/1091794457.db2.gz WXIVSWXEXUPIJW-CZUORRHYSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001445876260 1091803470 /nfs/dbraw/zinc/80/34/70/1091803470.db2.gz XOGHFHRLOJCHBI-INIZCTEOSA-N 2 0 335.467 2.291 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001445974849 1091931902 /nfs/dbraw/zinc/93/19/02/1091931902.db2.gz AXFIUUUJZLLWLY-QAPCUYQASA-N 2 0 348.491 2.232 10 0 EEAERP Cc1nocc1CNC1(CNC(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001446197699 1092274084 /nfs/dbraw/zinc/27/40/84/1092274084.db2.gz QTHPJVDZQKROGY-INIZCTEOSA-N 2 0 345.447 2.205 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1C)C1CC1)[NH+](C)C ZINC001439486111 1092297015 /nfs/dbraw/zinc/29/70/15/1092297015.db2.gz RCSWOQBFGJUARG-ZWKOTPCHSA-N 2 0 335.467 2.459 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001439642336 1092566356 /nfs/dbraw/zinc/56/63/56/1092566356.db2.gz PXZGWEYDVXTAMK-HNNXBMFYSA-N 2 0 337.414 2.142 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001439817150 1092796261 /nfs/dbraw/zinc/79/62/61/1092796261.db2.gz NWFUWKIZNAXOSV-MSOLQXFVSA-N 2 0 348.491 2.150 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC001439975114 1093091848 /nfs/dbraw/zinc/09/18/48/1093091848.db2.gz QOJAIYLPUWCDOO-HUUCEWRRSA-N 2 0 349.441 2.150 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCC(C)C)CCC1(F)F ZINC001439983174 1093103999 /nfs/dbraw/zinc/10/39/99/1093103999.db2.gz VUBHAJLOJWKIAK-HNNXBMFYSA-N 2 0 333.467 2.448 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001440176486 1093234150 /nfs/dbraw/zinc/23/41/50/1093234150.db2.gz ANJQIZUBUQIQCS-XLIONFOSSA-N 2 0 347.503 2.033 10 0 EEAERP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001440227775 1093311191 /nfs/dbraw/zinc/31/11/91/1093311191.db2.gz YCRWEEOCKZYRDC-INIZCTEOSA-N 2 0 347.503 2.474 10 0 EEAERP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448429034 1093441104 /nfs/dbraw/zinc/44/11/04/1093441104.db2.gz PRECSOJACDHKBK-NNZMDNLPSA-N 2 0 349.906 2.394 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001440354037 1093509597 /nfs/dbraw/zinc/50/95/97/1093509597.db2.gz AHMNGQPSGJOHMK-BCBBGWTOSA-N 2 0 325.884 2.240 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001440362727 1093526250 /nfs/dbraw/zinc/52/62/50/1093526250.db2.gz NPZAWJBZYXZGTO-FHWLQOOXSA-N 2 0 344.503 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CCCc2ccccc2)CC1 ZINC001448544778 1093583501 /nfs/dbraw/zinc/58/35/01/1093583501.db2.gz MXRNJHBJASMXHT-UHFFFAOYSA-N 2 0 331.504 2.494 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1)[NH+](C)C ZINC001440413714 1093608069 /nfs/dbraw/zinc/60/80/69/1093608069.db2.gz RYKYMXQHDXECEH-LZWOXQAQSA-N 2 0 338.521 2.166 10 0 EEAERP CN(C)c1cccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001440431689 1093634802 /nfs/dbraw/zinc/63/48/02/1093634802.db2.gz VSYQJMINAMUROZ-LJQANCHMSA-N 2 0 346.519 2.127 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CCCF)C2)C1 ZINC001440483576 1093716160 /nfs/dbraw/zinc/71/61/60/1093716160.db2.gz OKBNZNPNQUMEKS-DLBZAZTESA-N 2 0 327.488 2.248 10 0 EEAERP Cc1oncc1C[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001440483559 1093716237 /nfs/dbraw/zinc/71/62/37/1093716237.db2.gz QHSLCDLRWXCWFB-GASCZTMLSA-N 2 0 336.480 2.136 10 0 EEAERP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440611009 1093876253 /nfs/dbraw/zinc/87/62/53/1093876253.db2.gz UVSVKFVGSLNBGB-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2C)C1 ZINC001440761496 1094002738 /nfs/dbraw/zinc/00/27/38/1094002738.db2.gz RRUAJEQHPBJUNM-UHFFFAOYSA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001440761100 1094002766 /nfs/dbraw/zinc/00/27/66/1094002766.db2.gz PETNVELXFLCHDN-WIHSUSGWSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440824250 1094077527 /nfs/dbraw/zinc/07/75/27/1094077527.db2.gz BBMKSYUCNQVBQN-CVEARBPZSA-N 2 0 334.508 2.351 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC2(C)C)sn1 ZINC001449072995 1094087766 /nfs/dbraw/zinc/08/77/66/1094087766.db2.gz BZXSMIOAXLDCLH-OAHLLOKOSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001440843012 1094099469 /nfs/dbraw/zinc/09/94/69/1094099469.db2.gz PFJQDVJOMGRRBB-ZIAGYGMSSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001440851801 1094110942 /nfs/dbraw/zinc/11/09/42/1094110942.db2.gz FNBYHIDVRVINAK-CABCVRRESA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCc1ccccc1F ZINC001440923091 1094176662 /nfs/dbraw/zinc/17/66/62/1094176662.db2.gz IEQZSCSEBFCOLY-CRAIPNDOSA-N 2 0 347.478 2.147 10 0 EEAERP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001440926198 1094179420 /nfs/dbraw/zinc/17/94/20/1094179420.db2.gz RCHRTMFQFUROMM-DYVFJYSZSA-N 2 0 335.517 2.335 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC(F)(F)F ZINC001440935708 1094188500 /nfs/dbraw/zinc/18/85/00/1094188500.db2.gz BKSQRFDLDBBGOG-UONOGXRCSA-N 2 0 337.430 2.496 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cnc(C)o1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441117224 1094435014 /nfs/dbraw/zinc/43/50/14/1094435014.db2.gz LGCGSKCZHBFLLP-NVXWUHKLSA-N 2 0 336.480 2.232 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001441260718 1094664321 /nfs/dbraw/zinc/66/43/21/1094664321.db2.gz ZANYZOHCRQESOB-SFHVURJKSA-N 2 0 349.906 2.463 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001441261578 1094665704 /nfs/dbraw/zinc/66/57/04/1094665704.db2.gz YITVLSGSWFYSHJ-KRWDZBQOSA-N 2 0 329.488 2.355 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441435783 1095044284 /nfs/dbraw/zinc/04/42/84/1095044284.db2.gz DYDGDCCOAUGZQZ-RTBURBONSA-N 2 0 344.503 2.283 10 0 EEAERP COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)ccc1C ZINC001441485478 1095159731 /nfs/dbraw/zinc/15/97/31/1095159731.db2.gz FXJAZQJULSTZQS-CALCHBBNSA-N 2 0 345.487 2.225 10 0 EEAERP COc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001441504595 1095188889 /nfs/dbraw/zinc/18/88/89/1095188889.db2.gz MFNJLQLFNDSMKX-BETUJISGSA-N 2 0 339.867 2.037 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2ncccc2c1 ZINC001441656209 1095618680 /nfs/dbraw/zinc/61/86/80/1095618680.db2.gz JOIJOZVGVQJNMS-MRXNPFEDSA-N 2 0 340.471 2.267 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001441727111 1095705882 /nfs/dbraw/zinc/70/58/82/1095705882.db2.gz CBMCCLDRCWSJHV-BLYZHGLHSA-N 2 0 335.414 2.296 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001441846750 1095928341 /nfs/dbraw/zinc/92/83/41/1095928341.db2.gz JDYJTOZQEAYXGV-QAPCUYQASA-N 2 0 332.492 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001441861525 1095964576 /nfs/dbraw/zinc/96/45/76/1095964576.db2.gz LSPZCMFMJKTMEZ-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001442204881 1096489182 /nfs/dbraw/zinc/48/91/82/1096489182.db2.gz NKJMUOXPTPSTIY-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001442210866 1096500626 /nfs/dbraw/zinc/50/06/26/1096500626.db2.gz SMGYEYSXSXUQEH-QWHCGFSZSA-N 2 0 346.302 2.418 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001442342691 1096666227 /nfs/dbraw/zinc/66/62/27/1096666227.db2.gz SKMXQUTZYFKSBO-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)c1 ZINC001442551696 1096914403 /nfs/dbraw/zinc/91/44/03/1096914403.db2.gz ISGDPFBHSDKLBS-PKOBYXMFSA-N 2 0 345.487 2.260 10 0 EEAERP CCN(CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1cnc(C)cn1 ZINC001442754938 1097130536 /nfs/dbraw/zinc/13/05/36/1097130536.db2.gz HYNUZJVLSMDETA-KRWDZBQOSA-N 2 0 347.507 2.160 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCc2ccccc21 ZINC001443695856 1098202320 /nfs/dbraw/zinc/20/23/20/1098202320.db2.gz ZYKWCCNCJHKFTC-LNLFQRSKSA-N 2 0 327.472 2.299 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1c(C)noc1C ZINC001443976137 1098493799 /nfs/dbraw/zinc/49/37/99/1098493799.db2.gz ZGICGEQDETVBRI-OAHLLOKOSA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nc2ccccc2o1 ZINC001443992549 1098507634 /nfs/dbraw/zinc/50/76/34/1098507634.db2.gz ZYAPYMGNBSCOAN-HUUCEWRRSA-N 2 0 344.459 2.154 10 0 EEAERP CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)cc1 ZINC001479669585 1098717288 /nfs/dbraw/zinc/71/72/88/1098717288.db2.gz GAIMFPYTCOEZFQ-UXHICEINSA-N 2 0 343.515 2.481 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001444176795 1098728821 /nfs/dbraw/zinc/72/88/21/1098728821.db2.gz YLEBVNXIZFCIJD-BFYDXBDKSA-N 2 0 334.464 2.066 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)CC1 ZINC001444184745 1098735003 /nfs/dbraw/zinc/73/50/03/1098735003.db2.gz DYVPWYZFAMVNCT-HAQNSBGRSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001444227564 1098790324 /nfs/dbraw/zinc/79/03/24/1098790324.db2.gz TWFLQPXWKRSCQZ-APWZRJJASA-N 2 0 339.499 2.439 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H]1CCc2ccccc2C1 ZINC001479788907 1098990896 /nfs/dbraw/zinc/99/08/96/1098990896.db2.gz HJTIMFHLXFGYOE-YLJYHZDGSA-N 2 0 343.515 2.324 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1nccs1)C1CC1 ZINC001480022808 1099502134 /nfs/dbraw/zinc/50/21/34/1099502134.db2.gz AEZMYJTUWCUWNG-HUUCEWRRSA-N 2 0 336.505 2.002 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCCC(F)(F)F)C1CC1 ZINC001480039136 1099535254 /nfs/dbraw/zinc/53/52/54/1099535254.db2.gz XSBXCNNKAVYWOS-UONOGXRCSA-N 2 0 335.414 2.298 10 0 EEAERP CC(C)(C(=O)NC[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1)[NH+]1CCCC1 ZINC001480038102 1099536046 /nfs/dbraw/zinc/53/60/46/1099536046.db2.gz BDBUEAVEIDYZIH-KRWDZBQOSA-N 2 0 348.466 2.080 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001480062912 1099590760 /nfs/dbraw/zinc/59/07/60/1099590760.db2.gz XYRRCNBKJJORAY-PKOBYXMFSA-N 2 0 347.478 2.194 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001480215629 1099829112 /nfs/dbraw/zinc/82/91/12/1099829112.db2.gz JCNPANPLEKFJHJ-YESZJQIVSA-N 2 0 335.467 2.389 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001480219928 1099836575 /nfs/dbraw/zinc/83/65/75/1099836575.db2.gz FKNKHHZWFREIPH-GASCZTMLSA-N 2 0 325.403 2.313 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001480299227 1100015351 /nfs/dbraw/zinc/01/53/51/1100015351.db2.gz BDLFYUXQGYETGB-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(NC[C@@H]1CCCC[N@H+]1CCCCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001480315677 1100047030 /nfs/dbraw/zinc/04/70/30/1100047030.db2.gz ILVBAKOXGLHUFX-ROUUACIJSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444939047 1100051353 /nfs/dbraw/zinc/05/13/53/1100051353.db2.gz ZNABUZKLFNFEEC-PKOBYXMFSA-N 2 0 342.487 2.350 10 0 EEAERP O=C(Cn1ccnc1)NC[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC001480334906 1100098493 /nfs/dbraw/zinc/09/84/93/1100098493.db2.gz LFLQGJMICLZNSK-OAHLLOKOSA-N 2 0 332.473 2.158 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC001480396925 1100206950 /nfs/dbraw/zinc/20/69/50/1100206950.db2.gz LJBXILPPJBTSKT-UDBVWRHISA-N 2 0 325.884 2.051 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]Cc2cccnc2)CC1 ZINC001480402435 1100215184 /nfs/dbraw/zinc/21/51/84/1100215184.db2.gz BKUYJNXZIFEUEF-ACBHZAAOSA-N 2 0 344.503 2.473 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2c(C)nsc2C)CC[N@@H+]1C ZINC001480464040 1100269939 /nfs/dbraw/zinc/26/99/39/1100269939.db2.gz MDSYSJFNRGWSAU-HZUKXOBISA-N 2 0 338.521 2.085 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001445358654 1100595056 /nfs/dbraw/zinc/59/50/56/1100595056.db2.gz CNBBEUBUIMFJFJ-DYVFJYSZSA-N 2 0 339.430 2.432 10 0 EEAERP CCc1nccn1[C@H](C)CC(=O)N[C@H](C)CNCc1nc(C)c(C)o1 ZINC001445360101 1100596111 /nfs/dbraw/zinc/59/61/11/1100596111.db2.gz DLPJGWIAXCFLBJ-CHWSQXEVSA-N 2 0 347.463 2.296 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496208798 1100749553 /nfs/dbraw/zinc/74/95/53/1100749553.db2.gz YFOPZYVLKSMNNV-AEFFLSMTSA-N 2 0 346.519 2.031 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccc(F)cn1 ZINC001495146419 1100817321 /nfs/dbraw/zinc/81/73/21/1100817321.db2.gz WQWADMFGLYHXKF-RDJZCZTQSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001495160095 1100831723 /nfs/dbraw/zinc/83/17/23/1100831723.db2.gz BECRIOZSYAFJQC-HRCADAONSA-N 2 0 327.488 2.483 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001446437913 1100858647 /nfs/dbraw/zinc/85/86/47/1100858647.db2.gz DANAAHCIMNAFBY-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001496298093 1100885190 /nfs/dbraw/zinc/88/51/90/1100885190.db2.gz YLRNWFOJQXYCPT-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001496364624 1100958031 /nfs/dbraw/zinc/95/80/31/1100958031.db2.gz UAKQWAOVCZZSDP-OSKOBQJQSA-N 2 0 329.488 2.478 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2cccnc2)CC1 ZINC001496413017 1101005107 /nfs/dbraw/zinc/00/51/07/1101005107.db2.gz FDWUBVUPOZZVQZ-GOSISDBHSA-N 2 0 344.503 2.284 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001496414601 1101008207 /nfs/dbraw/zinc/00/82/07/1101008207.db2.gz OKRYDBIJVQYVME-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001446552286 1101023227 /nfs/dbraw/zinc/02/32/27/1101023227.db2.gz ILAYBRFOOXYCPZ-MJGOQNOKSA-N 2 0 339.524 2.257 10 0 EEAERP 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Cc1cc(C[N@H+]2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cs1 ZINC001447042779 1101836992 /nfs/dbraw/zinc/83/69/92/1101836992.db2.gz KQKRNMDGRXVBLE-DLBZAZTESA-N 2 0 335.517 2.431 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCc1ccccc1)CC2 ZINC001447115614 1102016430 /nfs/dbraw/zinc/01/64/30/1102016430.db2.gz MWDNSUSMEWYPNX-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496076736 1102017121 /nfs/dbraw/zinc/01/71/21/1102017121.db2.gz CCLLAQQKEDRQLU-LBPRGKRZSA-N 2 0 338.521 2.181 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001497156343 1102043009 /nfs/dbraw/zinc/04/30/09/1102043009.db2.gz ULMLDLNFHOXYCI-YOEHRIQHSA-N 2 0 333.476 2.082 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)CCC[NH+](C)C)c1 ZINC001447163119 1102115789 /nfs/dbraw/zinc/11/57/89/1102115789.db2.gz OCCKPKJOKPBDDD-RTBURBONSA-N 2 0 344.503 2.297 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497255802 1102202376 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336.505 2.088 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)c1cccc2nccn21 ZINC001497633680 1102784765 /nfs/dbraw/zinc/78/47/65/1102784765.db2.gz RROMKZCLXHKARS-OWOJBTEDSA-N 2 0 334.370 2.255 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC001447559657 1102861927 /nfs/dbraw/zinc/86/19/27/1102861927.db2.gz BZPOVCHJMCYQDC-KXBFYZLASA-N 2 0 342.487 2.445 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)CC1 ZINC001497675078 1102881165 /nfs/dbraw/zinc/88/11/65/1102881165.db2.gz NNOPHGRMYOCPBY-NSCUHMNNSA-N 2 0 343.462 2.416 10 0 EEAERP CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447594137 1102939329 /nfs/dbraw/zinc/93/93/29/1102939329.db2.gz ZDGMQLSKBMIBEE-SFHVURJKSA-N 2 0 343.515 2.498 10 0 EEAERP COc1ccc(CC[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001447647663 1103046002 /nfs/dbraw/zinc/04/60/02/1103046002.db2.gz SBKGIDSRZJJDCS-QFBILLFUSA-N 2 0 347.503 2.206 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001497816828 1103143863 /nfs/dbraw/zinc/14/38/63/1103143863.db2.gz DKBRIMUTQVUELO-VQIMIIECSA-N 2 0 329.488 2.240 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001493952114 1103182948 /nfs/dbraw/zinc/18/29/48/1103182948.db2.gz QAIGIEODDHXBCJ-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cccc(C[NH2+]CC2CC(NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001447800902 1103361588 /nfs/dbraw/zinc/36/15/88/1103361588.db2.gz YQGLNRWWJFQTBL-UHFFFAOYSA-N 2 0 329.488 2.464 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001447819948 1103385760 /nfs/dbraw/zinc/38/57/60/1103385760.db2.gz CLOMNORZRRYDRQ-GXOAENINSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001447892450 1103531324 /nfs/dbraw/zinc/53/13/24/1103531324.db2.gz BZWWFUMPYRDOMU-LSDHHAIUSA-N 2 0 332.492 2.023 10 0 EEAERP C[N@H+](CCF)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001494204884 1103693004 /nfs/dbraw/zinc/69/30/04/1103693004.db2.gz HWSPXUYARZYBRI-DLBZAZTESA-N 2 0 325.472 2.143 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCOc1ccccc1 ZINC001448143645 1104101075 /nfs/dbraw/zinc/10/10/75/1104101075.db2.gz KQUVCUCBTVVFDC-HKUYNNGSSA-N 2 0 347.503 2.376 10 0 EEAERP Cc1cccc(C[NH+]2CC([C@@H](C)NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001448315108 1104373098 /nfs/dbraw/zinc/37/30/98/1104373098.db2.gz FCBNMEYONUQJMP-IAGOWNOFSA-N 2 0 329.488 2.273 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cccc3cccnc32)C1 ZINC001448319567 1104383759 /nfs/dbraw/zinc/38/37/59/1104383759.db2.gz OZBQOPYOSDBIKK-HNNXBMFYSA-N 2 0 340.471 2.123 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(F)c2)C1 ZINC001448348129 1104439615 /nfs/dbraw/zinc/43/96/15/1104439615.db2.gz URCKZRGGVYKTBA-GOEBONIOSA-N 2 0 333.451 2.104 10 0 EEAERP COCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001498042736 1106825871 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346.519 2.495 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480828243 1107211306 /nfs/dbraw/zinc/21/13/06/1107211306.db2.gz MNEJWFYLUPBAEU-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001493255575 1107786274 /nfs/dbraw/zinc/78/62/74/1107786274.db2.gz WHCHFYNRWPYUQL-SRNHVLPCSA-N 2 0 341.499 2.480 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CCCOC ZINC001498898172 1108294962 /nfs/dbraw/zinc/29/49/62/1108294962.db2.gz LLBXUEWMYTZOGK-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCc2ccccc2Cl)CC[N@@H+]1C ZINC001493550271 1108299414 /nfs/dbraw/zinc/29/94/14/1108299414.db2.gz FAUOIPSHKIMJNX-GDBMZVCRSA-N 2 0 337.895 2.271 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793751 1108673755 /nfs/dbraw/zinc/67/37/55/1108673755.db2.gz LNVIOTVWWGSANI-ROUUACIJSA-N 2 0 329.488 2.106 10 0 EEAERP CC[NH+]1CCC(C(=O)NCC[NH+]2CC=CC2)(c2ccccc2)CC1 ZINC001465329958 1110415654 /nfs/dbraw/zinc/41/56/54/1110415654.db2.gz AMVKSUMTKWYGAK-UHFFFAOYSA-N 2 0 327.472 2.028 10 0 EEAERP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3([NH+](C)C)CCCC3)nc2)C1 ZINC001466193275 1110431484 /nfs/dbraw/zinc/43/14/84/1110431484.db2.gz ZVTXIZIQKSYYHA-INIZCTEOSA-N 2 0 345.491 2.035 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)[C@H]2C1 ZINC001478520132 1110655061 /nfs/dbraw/zinc/65/50/61/1110655061.db2.gz OXFWPNSUGOJAKF-MSOLQXFVSA-N 2 0 348.535 2.378 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001479301938 1110678361 /nfs/dbraw/zinc/67/83/61/1110678361.db2.gz ZRPFABWZRHLJKZ-ZNMIVQPWSA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001499480956 1112312371 /nfs/dbraw/zinc/31/23/71/1112312371.db2.gz KTFFROYEXPXULR-AEFFLSMTSA-N 2 0 348.491 2.080 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001499905538 1112535701 /nfs/dbraw/zinc/53/57/01/1112535701.db2.gz RTIQRQHGIVMRNN-IEBWSBKVSA-N 2 0 347.478 2.433 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001500225476 1112687000 /nfs/dbraw/zinc/68/70/00/1112687000.db2.gz KPPPJYBAEFGCIH-JSGCOSHPSA-N 2 0 341.393 2.199 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500611551 1112974605 /nfs/dbraw/zinc/97/46/05/1112974605.db2.gz VEVBUYZAHLZOIY-GJZGRUSLSA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cnc(C)s2)C1 ZINC001501083207 1113192474 /nfs/dbraw/zinc/19/24/74/1113192474.db2.gz FPUUDNHGBOGEBZ-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001501087276 1113194568 /nfs/dbraw/zinc/19/45/68/1113194568.db2.gz MXUYRQWQKDSVDS-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@H]3[C@H]2CCCN3C(=O)C[N@@H+](C)C(C)C)c1 ZINC001501407885 1113347998 /nfs/dbraw/zinc/34/79/98/1113347998.db2.gz KOPUDMXNCJYJDQ-RTBURBONSA-N 2 0 344.503 2.296 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001501640628 1113411306 /nfs/dbraw/zinc/41/13/06/1113411306.db2.gz GQNFBCYXTVGYOK-CQSZACIVSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001501651234 1113416194 /nfs/dbraw/zinc/41/61/94/1113416194.db2.gz MPUHNXOZRBUBAV-IBBQAADRSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cncc(C[NH+]2CCC3(CN(C(=O)C[N@@H+](C)C(C)C)C3)CC2)c1 ZINC001501749498 1113461489 /nfs/dbraw/zinc/46/14/89/1113461489.db2.gz WYIXOWHDRNLNHC-UHFFFAOYSA-N 2 0 344.503 2.155 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC[C@@H]3CC3(Cl)Cl)CCC2)C1 ZINC001502026140 1113563604 /nfs/dbraw/zinc/56/36/04/1113563604.db2.gz MZKUNFHAVPREEI-QWHCGFSZSA-N 2 0 348.318 2.151 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001505716430 1114148391 /nfs/dbraw/zinc/14/83/91/1114148391.db2.gz HEZHESORZDBRKW-SJORKVTESA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506039538 1114366111 /nfs/dbraw/zinc/36/61/11/1114366111.db2.gz WGCGRAFPKVLJCO-AEFFLSMTSA-N 2 0 343.515 2.454 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001506488206 1114644497 /nfs/dbraw/zinc/64/44/97/1114644497.db2.gz LUEOSGWPJUHHSE-GOEBONIOSA-N 2 0 338.521 2.058 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cc(C)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506538823 1114683632 /nfs/dbraw/zinc/68/36/32/1114683632.db2.gz AKYKCPPYULPBOX-BFYDXBDKSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]3C2)c1 ZINC001506805541 1114888425 /nfs/dbraw/zinc/88/84/25/1114888425.db2.gz PFYGOYOQIGQDQH-NNZMDNLPSA-N 2 0 347.478 2.270 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001506848035 1114911225 /nfs/dbraw/zinc/91/12/25/1114911225.db2.gz VEWYWWKINKVIKH-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001506896715 1114957613 /nfs/dbraw/zinc/95/76/13/1114957613.db2.gz VMBURGSZJUMZBN-SHTZXODSSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1noc2c1CCCC2)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506914089 1114968966 /nfs/dbraw/zinc/96/89/66/1114968966.db2.gz MPVKLDZHXCYWLV-WMLDXEAASA-N 2 0 348.491 2.022 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC001506949409 1114997806 /nfs/dbraw/zinc/99/78/06/1114997806.db2.gz CIGKEOVBGKPCOD-WBVHZDCISA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001507106604 1115111555 /nfs/dbraw/zinc/11/15/55/1115111555.db2.gz MJASFRYXPZZQMK-OAHLLOKOSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cncs1 ZINC001507128119 1115123051 /nfs/dbraw/zinc/12/30/51/1115123051.db2.gz AVPDFPYXXPOOBG-CABCVRRESA-N 2 0 338.521 2.344 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001507409827 1115255673 /nfs/dbraw/zinc/25/56/73/1115255673.db2.gz LANHKXAPJZALEW-SJORKVTESA-N 2 0 333.476 2.021 10 0 EEAERP COCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001508129553 1115424663 /nfs/dbraw/zinc/42/46/63/1115424663.db2.gz WHMABRMPVKBKCT-VJFUWPCTSA-N 2 0 337.508 2.009 10 0 EEAERP O=C(NCc1ccc(C[NH2+]C/C=C/Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001568118458 1124311912 /nfs/dbraw/zinc/31/19/12/1124311912.db2.gz TZURLUJRQHXVED-IJVPGBIWSA-N 2 0 347.890 2.487 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568400480 1124469908 /nfs/dbraw/zinc/46/99/08/1124469908.db2.gz LGANSEKZJIZWFV-ROUUACIJSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001568470186 1124530046 /nfs/dbraw/zinc/53/00/46/1124530046.db2.gz JFZOLZQDNADVIS-PKOBYXMFSA-N 2 0 347.503 2.056 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001568529262 1124591649 /nfs/dbraw/zinc/59/16/49/1124591649.db2.gz XRNFVRJZXUKPSH-JSGCOSHPSA-N 2 0 327.469 2.267 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001568687908 1124699588 /nfs/dbraw/zinc/69/95/88/1124699588.db2.gz LFWNKDOJJLTIQZ-HNNXBMFYSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568851627 1124872202 /nfs/dbraw/zinc/87/22/02/1124872202.db2.gz IBOGTOUHWNFIFO-AXMVSILFSA-N 2 0 327.472 2.099 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]Cc2cccnc2)ccc2c[nH+]cn21 ZINC001568877701 1124904078 /nfs/dbraw/zinc/90/40/78/1124904078.db2.gz QLFLTXPULCLHEZ-NSCUHMNNSA-N 2 0 335.411 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568949873 1124983484 /nfs/dbraw/zinc/98/34/84/1124983484.db2.gz GMFZXLFJUTXTCQ-NIAAJLDISA-N 2 0 344.503 2.272 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001568952038 1124987476 /nfs/dbraw/zinc/98/74/76/1124987476.db2.gz UOXJMWHNCLBPAP-MMBVMTPSSA-N 2 0 345.462 2.417 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c1 ZINC001569247555 1125193571 /nfs/dbraw/zinc/19/35/71/1125193571.db2.gz TYHFHRGBNZXGBB-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCF ZINC001569343805 1125244613 /nfs/dbraw/zinc/24/46/13/1125244613.db2.gz ZJGAAWDJEPXUGZ-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415950472 529965497 /nfs/dbraw/zinc/96/54/97/529965497.db2.gz DLRGLSOHQWKIKC-ZDUSSCGKSA-N 2 0 334.439 2.277 10 0 EEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Br)cc1 ZINC000040749965 213382312 /nfs/dbraw/zinc/38/23/12/213382312.db2.gz LWUTUHYSUGRROG-QXMXGUDHSA-N 2 0 338.249 2.342 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000069368772 215390148 /nfs/dbraw/zinc/39/01/48/215390148.db2.gz XFMNRFZVSIXKJC-UHFFFAOYSA-N 2 0 333.295 2.305 10 0 EEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2F)CC1 ZINC000036670304 213108568 /nfs/dbraw/zinc/10/85/68/213108568.db2.gz IYFGJLFEPZUVHL-AWEZNQCLSA-N 2 0 330.245 2.226 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195336821 296014889 /nfs/dbraw/zinc/01/48/89/296014889.db2.gz NSTSCAKWDRMEIT-RTBURBONSA-N 2 0 327.472 2.205 10 0 EEAERP CCn1nc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000415053679 238797264 /nfs/dbraw/zinc/79/72/64/238797264.db2.gz MQPUIWMKLGSHER-UHFFFAOYSA-N 2 0 341.503 2.362 10 0 EEAERP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cnccc1N ZINC000422733125 240199755 /nfs/dbraw/zinc/19/97/55/240199755.db2.gz ATUXFWNJGMGOAM-OAHLLOKOSA-N 2 0 328.460 2.328 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423152499 240385256 /nfs/dbraw/zinc/38/52/56/240385256.db2.gz LQBYIIGJVGNKLI-BBWFWOEESA-N 2 0 340.508 2.349 10 0 EEAERP Cc1cn2cc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)ccc2n1 ZINC000266602135 248378136 /nfs/dbraw/zinc/37/81/36/248378136.db2.gz SGVQRCYFUQXXMI-KRWDZBQOSA-N 2 0 330.432 2.374 10 0 EEAERP Cc1n[nH]c(C)c1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000097159549 218977191 /nfs/dbraw/zinc/97/71/91/218977191.db2.gz UYEASDUQFYUMJW-UHFFFAOYSA-N 2 0 341.503 2.324 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000299747995 258008096 /nfs/dbraw/zinc/00/80/96/258008096.db2.gz FSOYTVWCEHSZLA-AYOQOUSVSA-N 2 0 338.455 2.108 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000246445612 285386680 /nfs/dbraw/zinc/38/66/80/285386680.db2.gz NVJBXJWWTPPHRS-VGUREELVSA-N 2 0 336.524 2.373 10 0 EEAERP CC[NH+]1CCN(c2ncc(Br)cc2C[NH2+]C(C)C)CC1 ZINC000051436661 132181359 /nfs/dbraw/zinc/18/13/59/132181359.db2.gz LTKJRJTXUJGHDO-UHFFFAOYSA-N 2 0 341.297 2.484 10 0 EEAERP Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000245902033 160256644 /nfs/dbraw/zinc/25/66/44/160256644.db2.gz QBUKHZYMTFKUNI-JKSUJKDBSA-N 2 0 347.434 2.254 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000246987236 160303786 /nfs/dbraw/zinc/30/37/86/160303786.db2.gz FCQPNGQVDKAHHV-BHIYHBOVSA-N 2 0 327.472 2.346 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247108510 160310233 /nfs/dbraw/zinc/31/02/33/160310233.db2.gz IPYNLVDRIKAPNZ-BPQIPLTHSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247108522 160310552 /nfs/dbraw/zinc/31/05/52/160310552.db2.gz IPYNLVDRIKAPNZ-KBAYOESNSA-N 2 0 336.524 2.375 10 0 EEAERP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)NCC1CC1 ZINC000248391040 160343096 /nfs/dbraw/zinc/34/30/96/160343096.db2.gz BVVQKDBYCMVYCI-HSALFYBXSA-N 2 0 341.499 2.403 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352428336 162131526 /nfs/dbraw/zinc/13/15/26/162131526.db2.gz CYXBWFOPTNBELJ-VAMGGRTRSA-N 2 0 341.499 2.451 10 0 EEAERP CC[N@H+](CCc1cccs1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355393751 163174173 /nfs/dbraw/zinc/17/41/73/163174173.db2.gz OUHGJMCRCYLZGB-UHFFFAOYSA-N 2 0 335.517 2.356 10 0 EEAERP CCc1nn(C)c(CC)c1CN1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355654622 163260478 /nfs/dbraw/zinc/26/04/78/163260478.db2.gz RZYPUHKDKRTEOK-UHFFFAOYSA-N 2 0 343.475 2.271 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[C@@H]21 ZINC000375804250 167199988 /nfs/dbraw/zinc/19/99/88/167199988.db2.gz HKQRYSUTXRSTSX-RCBQFDQVSA-N 2 0 337.414 2.157 10 0 EEAERP CN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275691583 269135804 /nfs/dbraw/zinc/13/58/04/269135804.db2.gz WFUMSGDWDAPBFO-SFHVURJKSA-N 2 0 344.503 2.387 10 0 EEAERP CCOC1CC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000278447539 274355591 /nfs/dbraw/zinc/35/55/91/274355591.db2.gz LCONADGQFFGTRQ-OTBHMBEGSA-N 2 0 332.488 2.417 10 0 EEAERP Cc1cc2ncn(C[C@@H](O)C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063882 275370139 /nfs/dbraw/zinc/37/01/39/275370139.db2.gz CSZFVHONUBNSIT-FXAWDEMLSA-N 2 0 342.487 2.042 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246587486 279319341 /nfs/dbraw/zinc/31/93/41/279319341.db2.gz SOORBCXTIKQSRI-XYJFISCASA-N 2 0 334.508 2.129 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333916699 312213793 /nfs/dbraw/zinc/21/37/93/312213793.db2.gz NKOJBBLKNYHBFZ-IAGOWNOFSA-N 2 0 336.524 2.472 10 0 EEAERP CC[NH+](CC)CCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000340469938 312258277 /nfs/dbraw/zinc/25/82/77/312258277.db2.gz XMGBBHRDIJUFNI-CYBMUJFWSA-N 2 0 344.297 2.321 10 0 EEAERP CC1(C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@H]21 ZINC000397585614 312446702 /nfs/dbraw/zinc/44/67/02/312446702.db2.gz IYFOMXVTTIDRHP-IPMKNSEASA-N 2 0 344.499 2.417 10 0 EEAERP C[C@@H]1C[C@@H](C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]1 ZINC000414756027 313077052 /nfs/dbraw/zinc/07/70/52/313077052.db2.gz ITLXPZDIOQKVDA-FGTMMUONSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H]1C[C@@H](C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]1 ZINC000414756033 313077306 /nfs/dbraw/zinc/07/73/06/313077306.db2.gz ITLXPZDIOQKVDA-SQNIBIBYSA-N 2 0 333.520 2.489 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416792240 313317966 /nfs/dbraw/zinc/31/79/66/313317966.db2.gz LCNRCEUJMDYNGV-LJQANCHMSA-N 2 0 342.487 2.187 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800645 313319986 /nfs/dbraw/zinc/31/99/86/313319986.db2.gz FQEWYWPNODKJOY-ZWKOTPCHSA-N 2 0 326.444 2.289 10 0 EEAERP CCN(CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000416866367 313340887 /nfs/dbraw/zinc/34/08/87/313340887.db2.gz APYVJQFLDVGWJL-SFHVURJKSA-N 2 0 330.476 2.439 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCC1 ZINC000416965463 313374304 /nfs/dbraw/zinc/37/43/04/313374304.db2.gz XPKYOZVAPXYVHY-CABCVRRESA-N 2 0 346.466 2.183 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000417903232 313643208 /nfs/dbraw/zinc/64/32/08/313643208.db2.gz YYWDSZWOXMYZLM-VGWMRTNUSA-N 2 0 332.492 2.178 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000438994897 315062762 /nfs/dbraw/zinc/06/27/62/315062762.db2.gz CPFVXLLAHRJXQE-SFHVURJKSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(NC1CCN(c2ccccn2)CC1)c1cnn(-c2ccncc2)c1 ZINC000448704863 315378654 /nfs/dbraw/zinc/37/86/54/315378654.db2.gz PRIUEAVYHIBOCW-UHFFFAOYSA-N 2 0 348.410 2.061 10 0 EEAERP Cc1nc(NCC[NH+]2CCCC2)c(NCC[NH+]2CCCC2)nc1C ZINC000489395325 315778478 /nfs/dbraw/zinc/77/84/78/315778478.db2.gz VDHCGNGUVLCGSU-UHFFFAOYSA-N 2 0 332.496 2.109 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000519590141 316794628 /nfs/dbraw/zinc/79/46/28/316794628.db2.gz ZRLBIJNBQZKAHS-QRQLOZEOSA-N 2 0 344.503 2.429 10 0 EEAERP Cc1cn2cc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc2n1 ZINC000525748198 317073210 /nfs/dbraw/zinc/07/32/10/317073210.db2.gz ZLJZHJQFRULIHD-MRXNPFEDSA-N 2 0 345.447 2.217 10 0 EEAERP CN(CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000540928505 318084416 /nfs/dbraw/zinc/08/44/16/318084416.db2.gz ABKNGQCZPWRANF-SFHVURJKSA-N 2 0 326.444 2.327 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000563559521 319023276 /nfs/dbraw/zinc/02/32/76/319023276.db2.gz RUMGQYIZWNPYBC-YJBOKZPZSA-N 2 0 344.503 2.121 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563581300 319024918 /nfs/dbraw/zinc/02/49/18/319024918.db2.gz DWNMGCPYHZUVMB-IBGZPJMESA-N 2 0 336.524 2.428 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000563946416 319058159 /nfs/dbraw/zinc/05/81/59/319058159.db2.gz ZTVRZUPKWYKJEF-FGTMMUONSA-N 2 0 330.476 2.346 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000567571843 319391360 /nfs/dbraw/zinc/39/13/60/319391360.db2.gz HDXNVODYLHUOCN-APWZRJJASA-N 2 0 344.503 2.470 10 0 EEAERP C[C@]([NH3+])(C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000571089594 319724715 /nfs/dbraw/zinc/72/47/15/319724715.db2.gz ZZRYHASWBFVZPC-WSTZPKSXSA-N 2 0 341.430 2.343 10 0 EEAERP C[C@H]1COCC[N@@H+]1C1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000576765392 320202254 /nfs/dbraw/zinc/20/22/54/320202254.db2.gz HWOGNDGLZPZING-GHTZIAJQSA-N 2 0 343.515 2.446 10 0 EEAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC12CCOCC2 ZINC000581250990 324214798 /nfs/dbraw/zinc/21/47/98/324214798.db2.gz CTUPDNNYVDHLJD-CQSZACIVSA-N 2 0 344.484 2.392 10 0 EEAERP CS[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH+]1CCCC1 ZINC000356030616 465287976 /nfs/dbraw/zinc/28/79/76/465287976.db2.gz SWBFSDSRXVZMKV-BRWVUGGUSA-N 2 0 339.549 2.289 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[NH+](C)C)cc1 ZINC000113605583 462606916 /nfs/dbraw/zinc/60/69/16/462606916.db2.gz LSNALJRMZLWEQD-WDSOQIARSA-N 2 0 344.503 2.476 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)CC2(C)C)CC1 ZINC000535755118 468326844 /nfs/dbraw/zinc/32/68/44/468326844.db2.gz PBSJVUSWNAOWIY-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000157776618 463168503 /nfs/dbraw/zinc/16/85/03/463168503.db2.gz KFEDNXSHANGRKS-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC[N@@H+]1C ZINC000177928731 463815561 /nfs/dbraw/zinc/81/55/61/463815561.db2.gz BWTMMCDXODIJMZ-QFBILLFUSA-N 2 0 325.456 2.469 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000579591659 468381570 /nfs/dbraw/zinc/38/15/70/468381570.db2.gz HYDQMFUYZFMLNH-GJZGRUSLSA-N 2 0 333.480 2.076 10 0 EEAERP [NH3+]C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261819465 463869143 /nfs/dbraw/zinc/86/91/43/463869143.db2.gz SDRWPACUQODJJL-QRQLOZEOSA-N 2 0 341.430 2.069 10 0 EEAERP Cc1cccn2c(=O)cc(CN(CC[NH3+])CCc3ccccc3)nc12 ZINC000261824615 463870869 /nfs/dbraw/zinc/87/08/69/463870869.db2.gz UXCZABHQPIOFIJ-UHFFFAOYSA-N 2 0 336.439 2.006 10 0 EEAERP CC1CC[NH+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261881532 463887468 /nfs/dbraw/zinc/88/74/68/463887468.db2.gz PJLQTEGJIBOEPP-UHFFFAOYSA-N 2 0 331.460 2.365 10 0 EEAERP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000186435152 463999923 /nfs/dbraw/zinc/99/99/23/463999923.db2.gz FZIXYFXRADVHFR-WMZOPIPTSA-N 2 0 332.492 2.243 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000237714390 464367301 /nfs/dbraw/zinc/36/73/01/464367301.db2.gz XCUFWMCBTRYXKO-FUHWJXTLSA-N 2 0 329.488 2.249 10 0 EEAERP CN1CCN([C@H]2CCCC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000174886070 464462438 /nfs/dbraw/zinc/46/24/38/464462438.db2.gz DIQGQHAJPWCRSV-SFHVURJKSA-N 2 0 345.487 2.060 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccccc1 ZINC000245693015 464508231 /nfs/dbraw/zinc/50/82/31/464508231.db2.gz XPWZTTYFQWKKIG-NXHRZFHOSA-N 2 0 330.476 2.073 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000246436950 464584694 /nfs/dbraw/zinc/58/46/94/464584694.db2.gz NGKLSAFORJOPRG-MAUKXSAKSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000175638819 464592532 /nfs/dbraw/zinc/59/25/32/464592532.db2.gz BETYFXGCLQLSEA-IEBWSBKVSA-N 2 0 344.503 2.387 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000246558730 464599007 /nfs/dbraw/zinc/59/90/07/464599007.db2.gz YXOYDHVCECMCFI-ROUUACIJSA-N 2 0 348.466 2.308 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000175766915 464619521 /nfs/dbraw/zinc/61/95/21/464619521.db2.gz BYAOWVVHNQQJGQ-IBGZPJMESA-N 2 0 348.535 2.400 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000175945509 464665095 /nfs/dbraw/zinc/66/50/95/464665095.db2.gz MTGBECNTNWOCOR-CRAIPNDOSA-N 2 0 348.466 2.136 10 0 EEAERP CCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C ZINC000190582328 464681975 /nfs/dbraw/zinc/68/19/75/464681975.db2.gz QQQRGGIZNFYTON-ROUUACIJSA-N 2 0 332.492 2.092 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000247529201 464691147 /nfs/dbraw/zinc/69/11/47/464691147.db2.gz XJDROFZFMQTHTL-ZTFGCOKTSA-N 2 0 348.466 2.307 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276085541 464802520 /nfs/dbraw/zinc/80/25/20/464802520.db2.gz LWDYLDJLNISSFV-MRXNPFEDSA-N 2 0 334.508 2.320 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000249732307 464909077 /nfs/dbraw/zinc/90/90/77/464909077.db2.gz BOULVVXUZYRUSP-SJORKVTESA-N 2 0 347.503 2.477 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000356739735 465514582 /nfs/dbraw/zinc/51/45/82/465514582.db2.gz JWXWZOFPLDNHKP-KRWDZBQOSA-N 2 0 346.519 2.287 10 0 EEAERP C[C@H]([NH2+]C1(CN[C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000344525832 465642290 /nfs/dbraw/zinc/64/22/90/465642290.db2.gz NSYPSXBKGSDFIY-ZIFCJYIRSA-N 2 0 331.504 2.426 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092259 465759408 /nfs/dbraw/zinc/75/94/08/465759408.db2.gz BLVCSAAQRSTVSP-VDHUWJSZSA-N 2 0 330.476 2.214 10 0 EEAERP COc1cc[nH+]c(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000353335850 465808291 /nfs/dbraw/zinc/80/82/91/465808291.db2.gz JRWXIWWALXUFTH-INIZCTEOSA-N 2 0 346.475 2.003 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000361336647 465917685 /nfs/dbraw/zinc/91/76/85/465917685.db2.gz RCGIVRRYINFZSK-ICSRJNTNSA-N 2 0 331.504 2.209 10 0 EEAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478590 466114129 /nfs/dbraw/zinc/11/41/29/466114129.db2.gz SAZAYXQFAYKYFB-OALUTQOASA-N 2 0 327.476 2.211 10 0 EEAERP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349666560 466183422 /nfs/dbraw/zinc/18/34/22/466183422.db2.gz ZSSUVINJWQEEKM-HZPDHXFCSA-N 2 0 336.505 2.229 10 0 EEAERP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000363447418 466407902 /nfs/dbraw/zinc/40/79/02/466407902.db2.gz BJVMMMSGYCBHPU-KBRIMQKVSA-N 2 0 336.455 2.210 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000341090233 466575912 /nfs/dbraw/zinc/57/59/12/466575912.db2.gz IHXAKMGKUMSBBI-IYBDPMFKSA-N 2 0 336.524 2.423 10 0 EEAERP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000347347637 466583868 /nfs/dbraw/zinc/58/38/68/466583868.db2.gz JGVCTCQJSMXTOB-SFHVURJKSA-N 2 0 331.504 2.351 10 0 EEAERP CC(C)S(=O)(=O)CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000368514159 466655743 /nfs/dbraw/zinc/65/57/43/466655743.db2.gz LIRYRGTWGDBDNI-OAHLLOKOSA-N 2 0 339.505 2.222 10 0 EEAERP c1cn(-c2ccc(N3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nn2)cn1 ZINC000409430476 466688636 /nfs/dbraw/zinc/68/86/36/466688636.db2.gz VUSBTYLBUSXIFD-ROUUACIJSA-N 2 0 346.438 2.231 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662252037 472042994 /nfs/dbraw/zinc/04/29/94/472042994.db2.gz HZYWZYMYHRVBQO-LJQANCHMSA-N 2 0 330.472 2.231 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000375056041 466788440 /nfs/dbraw/zinc/78/84/40/466788440.db2.gz VRJXTMAZZWNVIA-ZWKOTPCHSA-N 2 0 346.450 2.132 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000370435859 466877929 /nfs/dbraw/zinc/87/79/29/466877929.db2.gz DOOOCAATFRVXSD-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417536889 466879288 /nfs/dbraw/zinc/87/92/88/466879288.db2.gz RKOUIVZWRBRPRO-CALCHBBNSA-N 2 0 332.492 2.420 10 0 EEAERP CCC[NH2+]CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417582159 466886531 /nfs/dbraw/zinc/88/65/31/466886531.db2.gz HRBVAXXHDUTWMZ-YQQQUEKLSA-N 2 0 344.503 2.481 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1F ZINC000417662269 466902917 /nfs/dbraw/zinc/90/29/17/466902917.db2.gz RNOIOBOABPABTD-IYBDPMFKSA-N 2 0 348.466 2.028 10 0 EEAERP C[C@@]1(CNC(=O)N2CC[C@@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418039364 467030562 /nfs/dbraw/zinc/03/05/62/467030562.db2.gz HEJLAKSNKXPKGS-HKUYNNGSSA-N 2 0 330.476 2.031 10 0 EEAERP C[C@@]1(CNC(=O)N2CC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418039366 467031099 /nfs/dbraw/zinc/03/10/99/467031099.db2.gz HEJLAKSNKXPKGS-MJGOQNOKSA-N 2 0 330.476 2.031 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418555773 467128089 /nfs/dbraw/zinc/12/80/89/467128089.db2.gz DUIWSUUGWOGYSM-QFBILLFUSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000418597845 467133705 /nfs/dbraw/zinc/13/37/05/467133705.db2.gz QBDSTWWPDWATLA-HKUYNNGSSA-N 2 0 346.519 2.190 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418667321 467143442 /nfs/dbraw/zinc/14/34/42/467143442.db2.gz FGYAKSYJDAOBPV-SJLPKXTDSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1CC[NH3+] ZINC000383445735 467380391 /nfs/dbraw/zinc/38/03/91/467380391.db2.gz IGUIFMXFIWKGJA-MRXNPFEDSA-N 2 0 325.456 2.438 10 0 EEAERP Cc1ccc(O)c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397509744 467442438 /nfs/dbraw/zinc/44/24/38/467442438.db2.gz KJDXKZTXGITESW-UHFFFAOYSA-N 2 0 341.455 2.212 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415197305 467516558 /nfs/dbraw/zinc/51/65/58/467516558.db2.gz AQMBJWPNEIHPRZ-LSDHHAIUSA-N 2 0 334.464 2.055 10 0 EEAERP OCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000449389641 467635507 /nfs/dbraw/zinc/63/55/07/467635507.db2.gz DLMXKGGUVAEWCF-OAQYLSRUSA-N 2 0 345.531 2.130 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]ccc1C1CC1 ZINC000457540392 467646588 /nfs/dbraw/zinc/64/65/88/467646588.db2.gz RRUUTKGHASAEPJ-MRXNPFEDSA-N 2 0 332.492 2.380 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000531217903 468037035 /nfs/dbraw/zinc/03/70/35/468037035.db2.gz DDDOBJFPQAFLSK-HNNXBMFYSA-N 2 0 330.476 2.064 10 0 EEAERP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000487547911 468044123 /nfs/dbraw/zinc/04/41/23/468044123.db2.gz ATQQJUHCSGTHLA-SZMVWBNQSA-N 2 0 331.504 2.300 10 0 EEAERP CCn1c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)nc2ccccc21 ZINC000531609971 468064845 /nfs/dbraw/zinc/06/48/45/468064845.db2.gz ZUFFJEMZXYVTLK-UHFFFAOYSA-N 2 0 330.476 2.381 10 0 EEAERP CN1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519638648 468187497 /nfs/dbraw/zinc/18/74/97/468187497.db2.gz ACHZJOZEQUWNJT-ARFHVFGLSA-N 2 0 339.842 2.468 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000569578021 468513808 /nfs/dbraw/zinc/51/38/08/468513808.db2.gz GDWFQMXTFFIQFA-QGTPRVQTSA-N 2 0 330.476 2.475 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000594495359 468609714 /nfs/dbraw/zinc/60/97/14/468609714.db2.gz RBIWEEFKFWFHEV-HNAYVOBHSA-N 2 0 345.487 2.076 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000570381178 468630168 /nfs/dbraw/zinc/63/01/68/468630168.db2.gz GFGCODGJTYAIAX-QGZVFWFLSA-N 2 0 329.488 2.281 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000583683339 468740532 /nfs/dbraw/zinc/74/05/32/468740532.db2.gz JAYFPMRKNVNJLO-UWIFEVILSA-N 2 0 348.466 2.040 10 0 EEAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000560515062 468823608 /nfs/dbraw/zinc/82/36/08/468823608.db2.gz BKCLFZKUYBANSC-KZNAEPCWSA-N 2 0 330.476 2.167 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000572346647 468919712 /nfs/dbraw/zinc/91/97/12/468919712.db2.gz HQHVFSMMDNQLMZ-MJGOQNOKSA-N 2 0 330.476 2.074 10 0 EEAERP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000593324233 468939113 /nfs/dbraw/zinc/93/91/13/468939113.db2.gz ZGEOMHROEDQCKW-UNEWFSDZSA-N 2 0 336.432 2.317 10 0 EEAERP COc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000562569895 468993648 /nfs/dbraw/zinc/99/36/48/468993648.db2.gz XJEVLNRVMADXHW-UHFFFAOYSA-N 2 0 336.480 2.269 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000593502557 469007139 /nfs/dbraw/zinc/00/71/39/469007139.db2.gz UIELEMMHENGDQY-MRXNPFEDSA-N 2 0 334.464 2.233 10 0 EEAERP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000596108944 469159590 /nfs/dbraw/zinc/15/95/90/469159590.db2.gz QQWWXTVQCUZDRZ-CZUORRHYSA-N 2 0 335.448 2.153 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000618670939 469421332 /nfs/dbraw/zinc/42/13/32/469421332.db2.gz WRIVIOFQWADMEP-QGZVFWFLSA-N 2 0 330.476 2.280 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000606589915 469621212 /nfs/dbraw/zinc/62/12/12/469621212.db2.gz MZJVYXIBHJWVRK-HNNXBMFYSA-N 2 0 334.464 2.151 10 0 EEAERP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623853330 469779430 /nfs/dbraw/zinc/77/94/30/469779430.db2.gz UOTTUQYOKLTMDS-AZUAARDMSA-N 2 0 331.504 2.351 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC1CC[NH+](C3CCCC3)CC1)C2 ZINC000626993449 469781293 /nfs/dbraw/zinc/78/12/93/469781293.db2.gz HLYFYSVLCLPQJQ-KDURUIRLSA-N 2 0 334.508 2.034 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626998152 469783348 /nfs/dbraw/zinc/78/33/48/469783348.db2.gz IIWXXDXUGOQFLX-LAVFITLUSA-N 2 0 330.476 2.089 10 0 EEAERP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000627034830 469797354 /nfs/dbraw/zinc/79/73/54/469797354.db2.gz MMEBUWYKMOBZFS-OHQAAIJDSA-N 2 0 348.491 2.350 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627132207 469821133 /nfs/dbraw/zinc/82/11/33/469821133.db2.gz BLAUXAQZLVBPQZ-QGZVFWFLSA-N 2 0 336.524 2.425 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627134331 469821232 /nfs/dbraw/zinc/82/12/32/469821232.db2.gz YLUFISRLIVXIGB-KRWDZBQOSA-N 2 0 348.466 2.184 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627202725 469842299 /nfs/dbraw/zinc/84/22/99/469842299.db2.gz SLHPCJHASXNHIH-WMZOPIPTSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000627239094 469853817 /nfs/dbraw/zinc/85/38/17/469853817.db2.gz ZHBHIXBUYDYFJH-QFBILLFUSA-N 2 0 344.503 2.290 10 0 EEAERP CC[C@H](C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[NH+](CC)CC ZINC000620915441 469950261 /nfs/dbraw/zinc/95/02/61/469950261.db2.gz KRZLJSDFZWYNQE-DLBZAZTESA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000624485160 469953331 /nfs/dbraw/zinc/95/33/31/469953331.db2.gz NDACCBAVNYPQTI-YSIASYRMSA-N 2 0 341.499 2.213 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)c(Cl)c1 ZINC000628050598 470047900 /nfs/dbraw/zinc/04/79/00/470047900.db2.gz IANDVZACBNNSOI-ZDUSSCGKSA-N 2 0 343.874 2.410 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631041872 470054166 /nfs/dbraw/zinc/05/41/66/470054166.db2.gz CEHAMPHHUGIWNR-IRXDYDNUSA-N 2 0 335.496 2.059 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCc2ccccc2CC1 ZINC000625288723 470112853 /nfs/dbraw/zinc/11/28/53/470112853.db2.gz NSPNVEFTSRNBMZ-UHFFFAOYSA-N 2 0 331.504 2.133 10 0 EEAERP CN(CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc[nH+]cc1 ZINC000628544343 470117850 /nfs/dbraw/zinc/11/78/50/470117850.db2.gz DYJBIKALKKIAEZ-GOSISDBHSA-N 2 0 330.476 2.431 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000631662357 470176895 /nfs/dbraw/zinc/17/68/95/470176895.db2.gz FKWVUIPRLNASLD-NJAFHUGGSA-N 2 0 329.488 2.401 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)ccc21 ZINC000632860925 470279319 /nfs/dbraw/zinc/27/93/19/470279319.db2.gz JKHCNZATPSITJM-PKOBYXMFSA-N 2 0 340.471 2.204 10 0 EEAERP O[C@]1(CNC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC000634722272 470286714 /nfs/dbraw/zinc/28/67/14/470286714.db2.gz MOGBWHRDKDXDBH-SFTDATJTSA-N 2 0 343.515 2.230 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765920 470301272 /nfs/dbraw/zinc/30/12/72/470301272.db2.gz JVIHPGYLSYDLLA-ZJOUEHCJSA-N 2 0 341.499 2.405 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[nH+]1 ZINC000635011383 470399900 /nfs/dbraw/zinc/39/99/00/470399900.db2.gz ZQJBAJIHZQRROP-GVDBMIGSSA-N 2 0 330.476 2.498 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646204937 470564873 /nfs/dbraw/zinc/56/48/73/470564873.db2.gz QLHHMDDCJWVAGC-LJQANCHMSA-N 2 0 336.439 2.058 10 0 EEAERP CN1CC[C@@H](NC(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000646280084 470589608 /nfs/dbraw/zinc/58/96/08/470589608.db2.gz TUHOADZLVGYQIH-GDBMZVCRSA-N 2 0 335.354 2.192 10 0 EEAERP CC[C@H]1CN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC[C@H]1[NH3+] ZINC000647011648 470805218 /nfs/dbraw/zinc/80/52/18/470805218.db2.gz IMCAZLMUYBTLEY-QFBILLFUSA-N 2 0 344.503 2.028 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638072072 470951143 /nfs/dbraw/zinc/95/11/43/470951143.db2.gz PMPOJFDUOMBOFJ-CGTJXYLNSA-N 2 0 335.492 2.012 10 0 EEAERP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654560965 471072015 /nfs/dbraw/zinc/07/20/15/471072015.db2.gz XSMYJHZCCFHMSU-LVQVYYBASA-N 2 0 336.480 2.348 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000657573573 471172293 /nfs/dbraw/zinc/17/22/93/471172293.db2.gz QIOQSHUPAQZCBV-AWEZNQCLSA-N 2 0 335.521 2.500 10 0 EEAERP Nc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000645262961 471195652 /nfs/dbraw/zinc/19/56/52/471195652.db2.gz ODBNFNOSFJBCFR-QFBILLFUSA-N 2 0 349.482 2.648 10 0 EEAERP COc1c[nH+]ccc1N1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660453456 471349638 /nfs/dbraw/zinc/34/96/38/471349638.db2.gz NPPUXNGNHOAVFC-IAGOWNOFSA-N 2 0 332.492 2.190 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000669310755 471451441 /nfs/dbraw/zinc/45/14/41/471451441.db2.gz IQUCRDRJZMFDGV-ZIFCJYIRSA-N 2 0 336.524 2.140 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000658980402 471455564 /nfs/dbraw/zinc/45/55/64/471455564.db2.gz IAAXTNKDRCIJOI-MRXNPFEDSA-N 2 0 347.507 2.323 10 0 EEAERP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653119353 471497807 /nfs/dbraw/zinc/49/78/07/471497807.db2.gz GRPRFWFXTBHWTG-ZWKOTPCHSA-N 2 0 331.460 2.486 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655917461 471538593 /nfs/dbraw/zinc/53/85/93/471538593.db2.gz RTLZXJPEWVFGIA-NEPJUHHUSA-N 2 0 338.418 2.076 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000659286776 471567365 /nfs/dbraw/zinc/56/73/65/471567365.db2.gz PSWHHEAKUQURFU-QAPCUYQASA-N 2 0 333.476 2.081 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+](CC)CC)cc1 ZINC000669590910 471571120 /nfs/dbraw/zinc/57/11/20/471571120.db2.gz VUFRWOQBAQGKLI-JTHGQSKGSA-N 2 0 332.492 2.446 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659436214 471627042 /nfs/dbraw/zinc/62/70/42/471627042.db2.gz ISOPAAVWLVVRQM-FCGDIQPGSA-N 2 0 342.487 2.058 10 0 EEAERP Cc1c(NC[C@H]2C[C@@H]([NH+](C)C)C2)ncnc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000664074704 471629786 /nfs/dbraw/zinc/62/97/86/471629786.db2.gz WJPRPCCTLACQIC-HMQPTBHHSA-N 3 0 346.523 2.289 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000659623213 471702813 /nfs/dbraw/zinc/70/28/13/471702813.db2.gz CGEGFHCZMCXSOA-QGZVFWFLSA-N 2 0 338.471 2.272 10 0 EEAERP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468606 471725601 /nfs/dbraw/zinc/72/56/01/471725601.db2.gz OYQKOPBBEVTAMW-OALUTQOASA-N 2 0 339.487 2.342 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234005 471975805 /nfs/dbraw/zinc/97/58/05/471975805.db2.gz VNGUJJFRBBKVLJ-HNNXBMFYSA-N 3 0 346.519 2.390 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000665259359 471983111 /nfs/dbraw/zinc/98/31/11/471983111.db2.gz CUXUCGYPWSITFU-JXIYXGQPSA-N 2 0 347.478 2.352 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000665287049 471989823 /nfs/dbraw/zinc/98/98/23/471989823.db2.gz AKGXEGAVAABZDV-MRXNPFEDSA-N 2 0 332.492 2.340 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000665289424 471990714 /nfs/dbraw/zinc/99/07/14/471990714.db2.gz NQJXKQOHRYSUCZ-IBGZPJMESA-N 2 0 345.487 2.350 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000665289720 471990832 /nfs/dbraw/zinc/99/08/32/471990832.db2.gz VUQZXQVFGJTQPP-KRWDZBQOSA-N 2 0 330.476 2.039 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000665289592 471991340 /nfs/dbraw/zinc/99/13/40/471991340.db2.gz RZIGGVDLOGNFIF-JXFKEZNVSA-N 2 0 347.503 2.343 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000665289595 471991639 /nfs/dbraw/zinc/99/16/39/471991639.db2.gz RZIGGVDLOGNFIF-UZLBHIALSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)[C@@H]1CCC[NH3+] ZINC000662315573 472066969 /nfs/dbraw/zinc/06/69/69/472066969.db2.gz HPLFYWIOZJXIMU-TZMCWYRMSA-N 2 0 336.505 2.410 10 0 EEAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CCO1 ZINC000662320567 472069713 /nfs/dbraw/zinc/06/97/13/472069713.db2.gz COPPXOFAXBPFAC-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)[C@]1(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCSC1 ZINC000662489883 472126117 /nfs/dbraw/zinc/12/61/17/472126117.db2.gz YDGXETALBURUPB-LPHOPBHVSA-N 2 0 347.528 2.232 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000662826107 472268787 /nfs/dbraw/zinc/26/87/87/472268787.db2.gz SPYJHQHIYAJDIC-WMZOPIPTSA-N 2 0 339.524 2.242 10 0 EEAERP CCC[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC[N@@H+]1CCOC ZINC000662825267 472268823 /nfs/dbraw/zinc/26/88/23/472268823.db2.gz GYNLMSIIASDBHZ-MJGOQNOKSA-N 2 0 345.487 2.180 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000662883505 472291076 /nfs/dbraw/zinc/29/10/76/472291076.db2.gz KNVQXPFSKKBZQU-RTBURBONSA-N 2 0 337.423 2.173 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000673771707 485527914 /nfs/dbraw/zinc/52/79/14/485527914.db2.gz LWMIMILLVWZPEB-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000673862477 485559966 /nfs/dbraw/zinc/55/99/66/485559966.db2.gz LFVWCIDOIAFYQY-BBRMVZONSA-N 2 0 326.404 2.016 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000629541294 485730145 /nfs/dbraw/zinc/73/01/45/485730145.db2.gz YGRLABKYZUQWPB-IAGOWNOFSA-N 2 0 326.868 2.385 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn2cccc(F)c2n1 ZINC000685456087 486123099 /nfs/dbraw/zinc/12/30/99/486123099.db2.gz PMOOTIWHHFOCHY-QGZVFWFLSA-N 2 0 347.482 2.321 10 0 EEAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccoc3C(F)(F)F)C2)CC1 ZINC000685734359 486178508 /nfs/dbraw/zinc/17/85/08/486178508.db2.gz JMSFTGCFXWDQPA-NSHDSACASA-N 2 0 345.365 2.197 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000678363354 486623969 /nfs/dbraw/zinc/62/39/69/486623969.db2.gz XRNPXPPDBQXWBL-HKUYNNGSSA-N 2 0 334.460 2.055 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)C2)C1 ZINC000292057289 679736847 /nfs/dbraw/zinc/73/68/47/679736847.db2.gz CELXMRMDRFXAQN-GIVPXCGWSA-N 2 0 344.499 2.469 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894766290 683081628 /nfs/dbraw/zinc/08/16/28/683081628.db2.gz OUAKXOJNHAUBCR-INIZCTEOSA-N 2 0 345.491 2.116 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485518891 1191823500 /nfs/dbraw/zinc/82/35/00/1191823500.db2.gz XWQCPNLOCUJANE-BEFAXECRSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722648 1191909929 /nfs/dbraw/zinc/90/99/29/1191909929.db2.gz OMCSDBOGBKAJJY-JGGQBBKZSA-N 2 0 336.480 2.006 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC001485763041 1191937338 /nfs/dbraw/zinc/93/73/38/1191937338.db2.gz NEROTCVBSJEFHK-UHFFFAOYSA-N 2 0 339.430 2.339 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001485788358 1191952803 /nfs/dbraw/zinc/95/28/03/1191952803.db2.gz UDVYQVGDHYTYES-GVDBMIGSSA-N 2 0 339.524 2.016 10 0 EEAERP C[N@H+](CCCCCF)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266326819 1176301574 /nfs/dbraw/zinc/30/15/74/1176301574.db2.gz MYLBWLZDOWJDGE-QGZVFWFLSA-N 2 0 333.467 2.387 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC001266332816 1176316170 /nfs/dbraw/zinc/31/61/70/1176316170.db2.gz AIAXQGKJCBGNAW-RBUKOAKNSA-N 2 0 329.488 2.294 10 0 EEAERP O=C(N[C@H](C[NH2+]CCCCC(F)(F)F)C1CC1)C12CC[NH+](CC1)C2 ZINC001670544535 1176876670 /nfs/dbraw/zinc/87/66/70/1176876670.db2.gz NKHWCSLODFMLCP-CQSZACIVSA-N 2 0 347.425 2.299 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724684 1177308763 /nfs/dbraw/zinc/30/87/63/1177308763.db2.gz XVGRSUSHJQWROG-SFHVURJKSA-N 2 0 348.466 2.176 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001266764360 1177375260 /nfs/dbraw/zinc/37/52/60/1177375260.db2.gz PTIKMFJVKNPUNY-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]C/C=C\Cl)C1)C12CCC[NH+]1CCC2 ZINC001266796449 1177444363 /nfs/dbraw/zinc/44/43/63/1177444363.db2.gz ZAXPSSODLDOLTL-UFRMUOTOSA-N 2 0 325.884 2.196 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCCCCF)C1 ZINC001266855723 1177580445 /nfs/dbraw/zinc/58/04/45/1177580445.db2.gz GCTWYJNDHLRBHI-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001266869493 1177642521 /nfs/dbraw/zinc/64/25/21/1177642521.db2.gz AVJBSKJQNAMAKD-AWEZNQCLSA-N 2 0 332.423 2.306 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001266885322 1177705827 /nfs/dbraw/zinc/70/58/27/1177705827.db2.gz DPTDSQHFYGTPNM-QZTJIDSGSA-N 2 0 348.491 2.224 10 0 EEAERP Cc1cnc(C[NH2+]C2CCC(NC(=O)CCCC[NH+](C)C)CC2)o1 ZINC001266916595 1177795439 /nfs/dbraw/zinc/79/54/39/1177795439.db2.gz WXLPIAIJWHHTGR-UHFFFAOYSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccccc1Cl ZINC001266926973 1177821660 /nfs/dbraw/zinc/82/16/60/1177821660.db2.gz FSZCBZUCIGGMIF-WMLDXEAASA-N 2 0 337.895 2.461 10 0 EEAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691319751 1177904682 /nfs/dbraw/zinc/90/46/82/1177904682.db2.gz UFTZMOZQJZHKQE-BOSPYUDASA-N 2 0 327.900 2.442 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)C12CCC[NH+]1CCC2 ZINC001691377688 1177984274 /nfs/dbraw/zinc/98/42/74/1177984274.db2.gz PTOSTNJMBIYXHU-HNNXBMFYSA-N 2 0 343.462 2.488 10 0 EEAERP CC(C)COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001267071556 1178190111 /nfs/dbraw/zinc/19/01/11/1178190111.db2.gz HZYVVZLYSOILAT-GOSISDBHSA-N 2 0 347.503 2.221 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1nccs1)[NH+](C)C ZINC001267175667 1178416742 /nfs/dbraw/zinc/41/67/42/1178416742.db2.gz XUFGVRPBQIRDFP-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267373351 1178884738 /nfs/dbraw/zinc/88/47/38/1178884738.db2.gz VPRPFXUOCFCFEU-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C1CCC1 ZINC001267393697 1178964043 /nfs/dbraw/zinc/96/40/43/1178964043.db2.gz QCOWOLXBOOUFKG-SFHVURJKSA-N 2 0 344.459 2.119 10 0 EEAERP Cc1ccncc1C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267505596 1179208083 /nfs/dbraw/zinc/20/80/83/1179208083.db2.gz DGTKGXTYFUCDAC-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP O=C(NC1(C[NH2+]CCC(F)(F)F)CCCC1)C12CC[NH+](CC1)C2 ZINC001267842660 1180621996 /nfs/dbraw/zinc/62/19/96/1180621996.db2.gz AHKLCOKPDXOIMX-UHFFFAOYSA-N 2 0 333.398 2.053 10 0 EEAERP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001267937667 1180790492 /nfs/dbraw/zinc/79/04/92/1180790492.db2.gz RBBMZBFFTNTPGG-IAGOWNOFSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1)[NH+](C)C ZINC001481306385 1180983328 /nfs/dbraw/zinc/98/33/28/1180983328.db2.gz ORVZWGGEZKWYIQ-MRXNPFEDSA-N 2 0 325.884 2.474 10 0 EEAERP C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268069716 1181664707 /nfs/dbraw/zinc/66/47/07/1181664707.db2.gz ZYFGDSSQAVFYLU-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268070305 1181667694 /nfs/dbraw/zinc/66/76/94/1181667694.db2.gz FYYBQAPFWVZHHJ-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C[C@@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001481537382 1181676177 /nfs/dbraw/zinc/67/61/77/1181676177.db2.gz FPTFIRWUWYPHJN-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCCCF ZINC001268136106 1181791261 /nfs/dbraw/zinc/79/12/61/1181791261.db2.gz SPTDYZIQFFYREH-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001268152472 1181845725 /nfs/dbraw/zinc/84/57/25/1181845725.db2.gz XOJMJUZJURBYSU-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001268165999 1181901681 /nfs/dbraw/zinc/90/16/81/1181901681.db2.gz JTNFYYJQMCNUBT-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001481732220 1182410763 /nfs/dbraw/zinc/41/07/63/1182410763.db2.gz JODVKDDUYDMNGO-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481750735 1182537053 /nfs/dbraw/zinc/53/70/53/1182537053.db2.gz BSAIOQCURHGLEL-PMACEKPBSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424403 1182591384 /nfs/dbraw/zinc/59/13/84/1182591384.db2.gz UTFOUDNKBBPEOK-HIFRSBDPSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cnc(C)o1 ZINC001481827021 1182757725 /nfs/dbraw/zinc/75/77/25/1182757725.db2.gz AUDDTCOKNKFKJG-WBVHZDCISA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001481870795 1182832341 /nfs/dbraw/zinc/83/23/41/1182832341.db2.gz OEKFRKXMHLVYJN-KBPBESRZSA-N 2 0 329.435 2.002 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CC(F)(F)C2)CC1 ZINC001481997194 1183104609 /nfs/dbraw/zinc/10/46/09/1183104609.db2.gz SQYHPXQUEXYBHT-INIZCTEOSA-N 2 0 343.462 2.344 10 0 EEAERP Cn1cncc1CCC(=O)N1CCC(CC[NH2+]C/C=C/Cl)CC1 ZINC001482007117 1183128659 /nfs/dbraw/zinc/12/86/59/1183128659.db2.gz PMCHFTHYAAJUCG-KRXBUXKQSA-N 2 0 338.883 2.324 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc(Cl)n2)CC1 ZINC001482022941 1183142165 /nfs/dbraw/zinc/14/21/65/1183142165.db2.gz NYFFLYJBWBVXEW-HAQNSBGRSA-N 2 0 344.912 2.265 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC001268571501 1183297971 /nfs/dbraw/zinc/29/79/71/1183297971.db2.gz AQYRSXRMIAPDAJ-VOTSOKGWSA-N 2 0 329.488 2.366 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482130254 1183380047 /nfs/dbraw/zinc/38/00/47/1183380047.db2.gz ONRIKVABCGDIGB-OAHLLOKOSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001268598097 1183499587 /nfs/dbraw/zinc/49/95/87/1183499587.db2.gz WEBPXAIZOVOJOA-VGRIIWOTSA-N 2 0 337.508 2.082 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cncc(C)c1 ZINC001268630126 1183555499 /nfs/dbraw/zinc/55/54/99/1183555499.db2.gz FXZWVORQXQNBGE-DUMMIQTOSA-N 2 0 330.476 2.026 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268754167 1183669944 /nfs/dbraw/zinc/66/99/44/1183669944.db2.gz ZQWQHEKQPXOXKU-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCF)CC1 ZINC001268774703 1183692636 /nfs/dbraw/zinc/69/26/36/1183692636.db2.gz JVQUIFUJQULHIV-IRXDYDNUSA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cncs1 ZINC001268868360 1183776272 /nfs/dbraw/zinc/77/62/72/1183776272.db2.gz GHGYZOGWXZXBKW-MRXNPFEDSA-N 2 0 338.521 2.344 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269282107 1184135625 /nfs/dbraw/zinc/13/56/25/1184135625.db2.gz XQFKILURBPJKFL-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP CC[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472175 1184292493 /nfs/dbraw/zinc/29/24/93/1184292493.db2.gz WMEYPWVIVIDFPA-QAPCUYQASA-N 2 0 345.503 2.108 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001269765716 1184602618 /nfs/dbraw/zinc/60/26/18/1184602618.db2.gz JLZYVALBJYZCAO-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001269997388 1184772803 /nfs/dbraw/zinc/77/28/03/1184772803.db2.gz GSJLYRKEPVZNEO-WKILWMFISA-N 2 0 325.472 2.239 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCc1ccccc1 ZINC001691763883 1184891859 /nfs/dbraw/zinc/89/18/59/1184891859.db2.gz UKISYLFJKGWWTN-LJQANCHMSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCOC1CCCCCC1 ZINC001270372410 1185056559 /nfs/dbraw/zinc/05/65/59/1185056559.db2.gz SYRJDFVDADCDLJ-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482298255 1185179547 /nfs/dbraw/zinc/17/95/47/1185179547.db2.gz IREHDJZIVVJPHR-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP COCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001270719437 1185344349 /nfs/dbraw/zinc/34/43/49/1185344349.db2.gz WLZJAGZJWUMABO-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001270757549 1185371984 /nfs/dbraw/zinc/37/19/84/1185371984.db2.gz PNVOPRBNJDNRJU-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)OCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270770735 1185380672 /nfs/dbraw/zinc/38/06/72/1185380672.db2.gz XFOQFFWYTXTRDG-LJQANCHMSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270815482 1185417401 /nfs/dbraw/zinc/41/74/01/1185417401.db2.gz YCEWSABKEOALCU-FQEVSTJZSA-N 2 0 347.503 2.227 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001482381165 1185567038 /nfs/dbraw/zinc/56/70/38/1185567038.db2.gz UDZUTBITZCBRST-ZBFHGGJFSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482428601 1185686644 /nfs/dbraw/zinc/68/66/44/1185686644.db2.gz KHIWTCOPXTTWGA-CRAIPNDOSA-N 2 0 342.487 2.446 10 0 EEAERP COCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001271102003 1185887138 /nfs/dbraw/zinc/88/71/38/1185887138.db2.gz ONXNSIUXMCEFPQ-YJBOKZPZSA-N 2 0 345.503 2.062 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482462183 1185930829 /nfs/dbraw/zinc/93/08/29/1185930829.db2.gz RXICZLNRTZEXSE-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001271210632 1186083876 /nfs/dbraw/zinc/08/38/76/1186083876.db2.gz YWTUKZIOXWSLKA-INIZCTEOSA-N 2 0 335.467 2.291 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001271565838 1186316005 /nfs/dbraw/zinc/31/60/05/1186316005.db2.gz JWLQAXJXNOPHTJ-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482497183 1186400702 /nfs/dbraw/zinc/40/07/02/1186400702.db2.gz CBDKNOROQCZIEW-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP COc1cc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)ccc1C ZINC001482518111 1186442495 /nfs/dbraw/zinc/44/24/95/1186442495.db2.gz NDYLWARZQZKMIM-ROUUACIJSA-N 2 0 347.503 2.328 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001671383797 1187005027 /nfs/dbraw/zinc/00/50/27/1187005027.db2.gz FYZIAWLMZHMOFG-KRWDZBQOSA-N 2 0 333.451 2.045 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)Cc1ncc[nH]1 ZINC001482638345 1187464328 /nfs/dbraw/zinc/46/43/28/1187464328.db2.gz PSRNQVDEOPEGOL-UHFFFAOYSA-N 2 0 326.444 2.420 10 0 EEAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001272791325 1193500399 /nfs/dbraw/zinc/50/03/99/1193500399.db2.gz QGWLJVOTPNGYIM-YOEHRIQHSA-N 2 0 333.480 2.241 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001279170758 1193503712 /nfs/dbraw/zinc/50/37/12/1193503712.db2.gz OWCNLSKJVROIHG-RDJZCZTQSA-N 2 0 327.488 2.151 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001482845833 1187764692 /nfs/dbraw/zinc/76/46/92/1187764692.db2.gz UCIUVBMNKDLVJL-DOMZBBRYSA-N 2 0 326.510 2.022 10 0 EEAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482855472 1187777728 /nfs/dbraw/zinc/77/77/28/1187777728.db2.gz ZSVYDTAOGYFPIP-AWEZNQCLSA-N 2 0 327.432 2.165 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)no1 ZINC001482886909 1187803333 /nfs/dbraw/zinc/80/33/33/1187803333.db2.gz VBTXVIKXTQGHJE-CQSZACIVSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001482961542 1187894276 /nfs/dbraw/zinc/89/42/76/1187894276.db2.gz KYDSGYCJWMIOSZ-UHFFFAOYSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1ccc(C[NH2+]CC2CC(NC(=O)C3([NH+](C)C)CCC3)C2)c(C)n1 ZINC001409269642 1188410239 /nfs/dbraw/zinc/41/02/39/1188410239.db2.gz XMRSHMWIWAGETF-UHFFFAOYSA-N 2 0 344.503 2.167 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001483069881 1188418028 /nfs/dbraw/zinc/41/80/28/1188418028.db2.gz PHZILLRLKSSDTR-ARJAWSKDSA-N 2 0 345.487 2.189 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001483071059 1188422361 /nfs/dbraw/zinc/42/23/61/1188422361.db2.gz TYTPQBZWVGHWOD-WOMSROEHSA-N 2 0 343.462 2.416 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001483092926 1188461082 /nfs/dbraw/zinc/46/10/82/1188461082.db2.gz LAWFOCRATUUSAS-PYLYLYNFSA-N 2 0 339.842 2.193 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000809751513 1188517781 /nfs/dbraw/zinc/51/77/81/1188517781.db2.gz ILBNARUWOXWEMY-FQEVSTJZSA-N 2 0 331.504 2.421 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001272844635 1193574158 /nfs/dbraw/zinc/57/41/58/1193574158.db2.gz HVWKQCVTVVCDSM-LRDDRELGSA-N 2 0 340.537 2.331 10 0 EEAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483167987 1189006289 /nfs/dbraw/zinc/00/62/89/1189006289.db2.gz JACGTEOSPVZILI-CMPDVRHESA-N 2 0 335.879 2.179 10 0 EEAERP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485894006 1193632413 /nfs/dbraw/zinc/63/24/13/1193632413.db2.gz MPOYMAINLIAWBF-HUUCEWRRSA-N 2 0 327.513 2.111 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cncc(C)c2)C1 ZINC001485914342 1193638532 /nfs/dbraw/zinc/63/85/32/1193638532.db2.gz YHRCTBAZWGAGPD-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409476215 1189807816 /nfs/dbraw/zinc/80/78/16/1189807816.db2.gz RKSKSMIXUWIBPJ-KBPBESRZSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)[NH+](C)C ZINC001483263593 1190287912 /nfs/dbraw/zinc/28/79/12/1190287912.db2.gz XBKQXTSIFQLXMW-RRFJBIMHSA-N 2 0 333.467 2.492 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001483296677 1190319129 /nfs/dbraw/zinc/31/91/29/1190319129.db2.gz OEKYRHGHUKCKLF-HNNXBMFYSA-N 2 0 344.459 2.276 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001483509370 1190523882 /nfs/dbraw/zinc/52/38/82/1190523882.db2.gz JWRSVNOLKCCAOB-UKRRQHHQSA-N 2 0 339.430 2.416 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[NH+]2Cc2ccccn2)C1 ZINC001409854889 1190689130 /nfs/dbraw/zinc/68/91/30/1190689130.db2.gz WTLQUMUPDNSDBL-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001486144441 1193695971 /nfs/dbraw/zinc/69/59/71/1193695971.db2.gz HAIFXUJJGWCEFV-LNLFQRSKSA-N 2 0 337.508 2.009 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1CC/C=C/c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483694281 1190769105 /nfs/dbraw/zinc/76/91/05/1190769105.db2.gz LFGKICYXTALOMU-AMGQUURNSA-N 2 0 339.483 2.376 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272615498 1190931327 /nfs/dbraw/zinc/93/13/27/1190931327.db2.gz CPVCRZRUYQWKTC-HOTGVXAUSA-N 2 0 335.517 2.418 10 0 EEAERP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001483761268 1190989525 /nfs/dbraw/zinc/98/95/25/1190989525.db2.gz QPCGHPCOQZSCAY-WBVHZDCISA-N 2 0 337.508 2.057 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c1 ZINC001483767178 1191000560 /nfs/dbraw/zinc/00/05/60/1191000560.db2.gz CHJSRKKFSRTTGE-HOTGVXAUSA-N 2 0 345.487 2.336 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)cc1 ZINC001483849364 1191085830 /nfs/dbraw/zinc/08/58/30/1191085830.db2.gz USKDPDKFECXHSU-FQEVSTJZSA-N 2 0 329.488 2.371 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001484071645 1191192490 /nfs/dbraw/zinc/19/24/90/1191192490.db2.gz MEEJZVLHAMHUMC-FQEVSTJZSA-N 2 0 329.488 2.480 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1 ZINC001484190119 1191265522 /nfs/dbraw/zinc/26/55/22/1191265522.db2.gz CXRCFELCHILXNA-UHFFFAOYSA-N 2 0 337.508 2.084 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)on1 ZINC001484542896 1191402926 /nfs/dbraw/zinc/40/29/26/1191402926.db2.gz ZHSTXTXRDOGHJL-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484567144 1191420734 /nfs/dbraw/zinc/42/07/34/1191420734.db2.gz FAMWUXGAMQGMEK-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484717082 1191481321 /nfs/dbraw/zinc/48/13/21/1191481321.db2.gz CUKDCVYFBBWVBH-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC001484726691 1191486458 /nfs/dbraw/zinc/48/64/58/1191486458.db2.gz OSEGEIXAGHDERY-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)C23CC[NH+](CC2)C3)cs1 ZINC001484765494 1191504037 /nfs/dbraw/zinc/50/40/37/1191504037.db2.gz HRKDOOZAIQZASH-UHFFFAOYSA-N 2 0 335.517 2.433 10 0 EEAERP CN(CCC[N@H+](C)Cc1cncs1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001484753087 1191508993 /nfs/dbraw/zinc/50/89/93/1191508993.db2.gz OFDUNRKZGCPIIZ-UHFFFAOYSA-N 2 0 338.521 2.298 10 0 EEAERP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484811900 1191533207 /nfs/dbraw/zinc/53/32/07/1191533207.db2.gz COSZQKHKXJUIAW-SJORKVTESA-N 2 0 339.524 2.255 10 0 EEAERP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819145 1191539212 /nfs/dbraw/zinc/53/92/12/1191539212.db2.gz IACODPUSPRBPOA-SGJXGLNRSA-N 2 0 327.900 2.442 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCOC)C2)C1)[NH+](CC)CC ZINC001484832195 1191545971 /nfs/dbraw/zinc/54/59/71/1191545971.db2.gz SKBMVFJBFDZVID-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCOCC2)C1 ZINC001484872117 1191556844 /nfs/dbraw/zinc/55/68/44/1191556844.db2.gz SLIBFODQKOPDSX-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001484868425 1191561232 /nfs/dbraw/zinc/56/12/32/1191561232.db2.gz MBLNRCZXDSUOPQ-UHFFFAOYSA-N 2 0 341.540 2.265 10 0 EEAERP COCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001485073358 1191643040 /nfs/dbraw/zinc/64/30/40/1191643040.db2.gz LZOJHBKZUIKYDM-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]Cc2cncs2)C1 ZINC001485110542 1191657567 /nfs/dbraw/zinc/65/75/67/1191657567.db2.gz MLIIDYICOPPFDZ-UHFFFAOYSA-N 2 0 336.505 2.004 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485156359 1191668231 /nfs/dbraw/zinc/66/82/31/1191668231.db2.gz GPURTGXYYCPZQY-STQMWFEESA-N 2 0 339.430 2.432 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccns1 ZINC001485193613 1191687668 /nfs/dbraw/zinc/68/76/68/1191687668.db2.gz IBDREAQDDGKDHQ-STQMWFEESA-N 2 0 326.510 2.104 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485228921 1191698261 /nfs/dbraw/zinc/69/82/61/1191698261.db2.gz FZQOQGSUCRKRJO-SJORKVTESA-N 2 0 332.492 2.249 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)cc1C ZINC001485389058 1191775346 /nfs/dbraw/zinc/77/53/46/1191775346.db2.gz RCTFCLAZJDBFIK-MRXNPFEDSA-N 2 0 335.492 2.280 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]C/C=C\Cl)CCCCC2)C1 ZINC001485456292 1191792224 /nfs/dbraw/zinc/79/22/24/1191792224.db2.gz OSLXOJWIQGCFAN-ZHMISCPASA-N 2 0 327.900 2.489 10 0 EEAERP COC[C@H](C)[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001485459461 1191797557 /nfs/dbraw/zinc/79/75/57/1191797557.db2.gz RRPKHRXGTGYAHX-KRWDZBQOSA-N 2 0 339.524 2.306 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001486210428 1193750756 /nfs/dbraw/zinc/75/07/56/1193750756.db2.gz LQGHVBRQOKTGGG-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+][C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC001486416629 1193946781 /nfs/dbraw/zinc/94/67/81/1193946781.db2.gz KHLFQYOBFTWLHC-RDJZCZTQSA-N 2 0 349.523 2.308 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC(C)C)C1 ZINC001486453216 1193974993 /nfs/dbraw/zinc/97/49/93/1193974993.db2.gz XAAOPDIOMFRXTD-ZIAGYGMSSA-N 2 0 337.430 2.353 10 0 EEAERP CCc1ccc(C[N@H+]2CC=C(CNC(=O)Cc3c[nH]cn3)CC2)cc1 ZINC001486517071 1194022923 /nfs/dbraw/zinc/02/29/23/1194022923.db2.gz SVLXHQMTLKECGT-UHFFFAOYSA-N 2 0 338.455 2.463 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CCCCCF)CC2)C1 ZINC001486519202 1194040521 /nfs/dbraw/zinc/04/05/21/1194040521.db2.gz PKNQCBVQAXTUIB-QGZVFWFLSA-N 2 0 325.472 2.216 10 0 EEAERP O=C(Cn1ccnc1)NCC1=CC[N@H+](C/C=C/c2ccccc2)CC1 ZINC001486521820 1194044486 /nfs/dbraw/zinc/04/44/86/1194044486.db2.gz NNWYRZYSIDYHIG-QPJJXVBHSA-N 2 0 336.439 2.345 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018468 1194325653 /nfs/dbraw/zinc/32/56/53/1194325653.db2.gz KPGAMJUUQWAWME-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001691684603 1197495129 /nfs/dbraw/zinc/49/51/29/1197495129.db2.gz ATKNKYUSLYUODV-NJAFHUGGSA-N 2 0 337.508 2.009 10 0 EEAERP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001410140942 1197569433 /nfs/dbraw/zinc/56/94/33/1197569433.db2.gz GOZRIAJSVFKPOZ-MKXGPGLRSA-N 2 0 347.478 2.161 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001410445108 1197912153 /nfs/dbraw/zinc/91/21/53/1197912153.db2.gz CSHZBRLXTQMPPI-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccnc1Br ZINC000865623707 1198303140 /nfs/dbraw/zinc/30/31/40/1198303140.db2.gz NZRYTOBYIQQZNS-ZDUSSCGKSA-N 2 0 343.313 2.206 10 0 EEAERP CCN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001273375028 1198393287 /nfs/dbraw/zinc/39/32/87/1198393287.db2.gz OPUJTJZUKORKFN-RTBURBONSA-N 2 0 347.503 2.031 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nc(Cl)nc3ccccc32)C[C@H]1C[NH+](C)C ZINC000866010815 1198453811 /nfs/dbraw/zinc/45/38/11/1198453811.db2.gz OINHTWDPWPGVLL-ZIAGYGMSSA-N 2 0 347.894 2.459 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001410872704 1198525317 /nfs/dbraw/zinc/52/53/17/1198525317.db2.gz XQAHDSUXJUQJGD-AEFFLSMTSA-N 2 0 347.503 2.423 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]C/C=C\c3ccccc3)C(C)(C)C2)C1 ZINC001411016957 1198698214 /nfs/dbraw/zinc/69/82/14/1198698214.db2.gz NLTRWFOPHGITDT-DBRSDMAZSA-N 2 0 341.499 2.478 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1(C2CC[NH+](C(C)C)CC2)CC1 ZINC001411251877 1198975419 /nfs/dbraw/zinc/97/54/19/1198975419.db2.gz OEPAQPOKYZICJV-INIZCTEOSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428335 1199183455 /nfs/dbraw/zinc/18/34/55/1199183455.db2.gz WKIMBOGBLUUCME-CABCVRRESA-N 2 0 336.867 2.130 10 0 EEAERP C[C@@H]1CCC[C@@H](C)C1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875339284 1199214886 /nfs/dbraw/zinc/21/48/86/1199214886.db2.gz GKLLGGSPURXYHW-QBPKDAKJSA-N 2 0 338.540 2.192 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CC[C@@H]2CCCCO2)CCC1 ZINC001493107088 1199231497 /nfs/dbraw/zinc/23/14/97/1199231497.db2.gz JFNWMOVRLLFDND-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/Sc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870016645 1200409059 /nfs/dbraw/zinc/40/90/59/1200409059.db2.gz SHIXMZLBNVPMTK-XXRWXEQKSA-N 2 0 347.528 2.490 10 0 EEAERP CC[C@H](CC(F)(F)F)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018326 1200409774 /nfs/dbraw/zinc/40/97/74/1200409774.db2.gz YUIXIURXQWJYRT-MGPQQGTHSA-N 2 0 337.430 2.163 10 0 EEAERP CC(C)=C[C@H]1[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000870023797 1200412848 /nfs/dbraw/zinc/41/28/48/1200412848.db2.gz AOEYHTPAOHINKC-BDXSIMOUSA-N 2 0 335.536 2.423 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)CCC34CC(C3)C[NH2+]4)CCCC2)CC1 ZINC000870884484 1200931646 /nfs/dbraw/zinc/93/16/46/1200931646.db2.gz YMEIPTPKRXJQRL-UHFFFAOYSA-N 2 0 349.519 2.058 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000870889061 1200933938 /nfs/dbraw/zinc/93/39/38/1200933938.db2.gz VKFQHVOCNOMPJC-FDYSRKEFSA-N 2 0 327.472 2.299 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000870907577 1200943500 /nfs/dbraw/zinc/94/35/00/1200943500.db2.gz ZBNREWPKCWECIN-SNXQWQLTSA-N 2 0 327.472 2.298 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870912467 1200949044 /nfs/dbraw/zinc/94/90/44/1200949044.db2.gz IHDUNHGZYKHFGA-SIFCLUCFSA-N 2 0 342.487 2.283 10 0 EEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990009 1200993340 /nfs/dbraw/zinc/99/33/40/1200993340.db2.gz TVWVWOBOHZVRPO-APWZRJJASA-N 2 0 339.524 2.003 10 0 EEAERP COCCC1(NC(=O)Nc2ccccc2CC[NH+](C)C)CC[NH2+]CC1 ZINC000868151984 1201753899 /nfs/dbraw/zinc/75/38/99/1201753899.db2.gz XQCONXPXZBPUQD-UHFFFAOYSA-N 2 0 348.491 2.071 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCO1 ZINC000868177687 1201758384 /nfs/dbraw/zinc/75/83/84/1201758384.db2.gz DTKPLCLETMDMLV-OKZBNKHCSA-N 2 0 346.475 2.076 10 0 EEAERP CN1Cc2ccccc2[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000868677612 1201857764 /nfs/dbraw/zinc/85/77/64/1201857764.db2.gz QIEGDIFOBMRUIQ-MMNRESRNSA-N 2 0 328.460 2.098 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001274318625 1204996292 /nfs/dbraw/zinc/99/62/92/1204996292.db2.gz RCRYEMPHDWZIGR-WAYWQWQTSA-N 2 0 329.488 2.407 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001275019343 1205235065 /nfs/dbraw/zinc/23/50/65/1205235065.db2.gz WGTJZPSNNINOFD-QWHCGFSZSA-N 2 0 334.291 2.370 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001275639646 1205457015 /nfs/dbraw/zinc/45/70/15/1205457015.db2.gz YRFLWKAQWAOJII-UHFFFAOYSA-N 2 0 339.524 2.255 10 0 EEAERP CN(CCC[NH2+]Cc1ccncc1Cl)C(=O)CCc1c[nH]cn1 ZINC001276040312 1205744597 /nfs/dbraw/zinc/74/45/97/1205744597.db2.gz AZAHXMIBHZMETB-UHFFFAOYSA-N 2 0 335.839 2.029 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CC[C@H]2CCOC2)CCCCC1)[NH+](C)C ZINC001276226010 1205843583 /nfs/dbraw/zinc/84/35/83/1205843583.db2.gz HWKSTHNWLXLCEX-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001276258185 1205858485 /nfs/dbraw/zinc/85/84/85/1205858485.db2.gz HDZLHVMKTLPGOV-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632103 1206137885 /nfs/dbraw/zinc/13/78/85/1206137885.db2.gz ZVTPALGASOKXQE-JYBIWHBTSA-N 2 0 341.499 2.401 10 0 EEAERP Brc1cnn(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925671319 1206142115 /nfs/dbraw/zinc/14/21/15/1206142115.db2.gz PFQCNSWFQDFDSR-CABCVRRESA-N 2 0 341.297 2.404 10 0 EEAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925843414 1206159318 /nfs/dbraw/zinc/15/93/18/1206159318.db2.gz NHZJSHCHDMCTKM-GFOJFJKKSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000925847178 1206159624 /nfs/dbraw/zinc/15/96/24/1206159624.db2.gz WLLSAOCODOPVNY-TZIWHRDSSA-N 2 0 344.547 2.315 10 0 EEAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000925847522 1206160015 /nfs/dbraw/zinc/16/00/15/1206160015.db2.gz YQQAIMXCRZEVED-INIZCTEOSA-N 2 0 344.503 2.297 10 0 EEAERP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925848126 1206160152 /nfs/dbraw/zinc/16/01/52/1206160152.db2.gz AMWBDNRAMOVDRH-MRXNPFEDSA-N 2 0 332.492 2.371 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925849343 1206160431 /nfs/dbraw/zinc/16/04/31/1206160431.db2.gz INJFYMSRFQTRIK-CVEARBPZSA-N 2 0 346.475 2.306 10 0 EEAERP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925883309 1206163488 /nfs/dbraw/zinc/16/34/88/1206163488.db2.gz UUELZQPJPGBYHB-UWWQBHOKSA-N 2 0 329.448 2.135 10 0 EEAERP C[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCCCCC1 ZINC000928834434 1206425987 /nfs/dbraw/zinc/42/59/87/1206425987.db2.gz GTCGEPDEPAHUSN-FUHWJXTLSA-N 2 0 332.492 2.455 10 0 EEAERP CC(=O)NCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000930280731 1206546283 /nfs/dbraw/zinc/54/62/83/1206546283.db2.gz ZZRIVPBKBXYWLZ-BGYRXZFFSA-N 2 0 329.488 2.357 10 0 EEAERP C[C@H](CCCO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000864094549 1210473033 /nfs/dbraw/zinc/47/30/33/1210473033.db2.gz XMNRABKIQNFSEK-LLVKDONJSA-N 2 0 330.375 2.320 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001276353781 1213898659 /nfs/dbraw/zinc/89/86/59/1213898659.db2.gz UEQNFSIBBHSSHP-CYBMUJFWSA-N 2 0 328.407 2.134 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001276339836 1215803626 /nfs/dbraw/zinc/80/36/26/1215803626.db2.gz LASNIYLYLGUQMQ-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@]23CCCOC3)CC1 ZINC001413095500 1234083264 /nfs/dbraw/zinc/08/32/64/1234083264.db2.gz LZTINOTWWLGBQG-IBGZPJMESA-N 2 0 337.508 2.011 10 0 EEAERP COCC[NH+]1CCC(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900383272 1234298342 /nfs/dbraw/zinc/29/83/42/1234298342.db2.gz QAEZSOLOQQOELC-UHFFFAOYSA-N 2 0 344.459 2.131 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900535679 1234454046 /nfs/dbraw/zinc/45/40/46/1234454046.db2.gz UFELKYKKBYPHRX-SFHVURJKSA-N 2 0 327.472 2.426 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1COc2ccccc2C1 ZINC000902745817 1238382965 /nfs/dbraw/zinc/38/29/65/1238382965.db2.gz WKNZLQUQMLFWNR-PKOBYXMFSA-N 2 0 331.504 2.243 10 0 EEAERP CCCn1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000902822197 1238620197 /nfs/dbraw/zinc/62/01/97/1238620197.db2.gz RYHBSWMEDMDUSD-QGZVFWFLSA-N 2 0 348.539 2.289 10 0 EEAERP O[C@H](C[C@@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000903899989 1242396763 /nfs/dbraw/zinc/39/67/63/1242396763.db2.gz XQRPWUYSQVAQGN-SLUKUZTOSA-N 2 0 336.501 2.403 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cnn1C ZINC000903899846 1242398645 /nfs/dbraw/zinc/39/86/45/1242398645.db2.gz XOLNZBSYKGSEPN-PXNSSMCTSA-N 2 0 341.503 2.422 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cnn1C ZINC000903902812 1242410191 /nfs/dbraw/zinc/41/01/91/1242410191.db2.gz NOMHVRFPBUTXBO-QZTJIDSGSA-N 2 0 342.487 2.247 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2ccc(F)cc2Cl)cnn1C ZINC000903920064 1242497333 /nfs/dbraw/zinc/49/73/33/1242497333.db2.gz GYASEJDZRLJXOH-ZDUSSCGKSA-N 2 0 338.858 2.471 10 0 EEAERP CC(C)(CO)[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903927405 1242528301 /nfs/dbraw/zinc/52/83/01/1242528301.db2.gz RLCNGTOAELZLDE-AEFFLSMTSA-N 2 0 343.475 2.052 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947539 1242658416 /nfs/dbraw/zinc/65/84/16/1242658416.db2.gz AFJKQNBWKRQSLP-KBXCAEBGSA-N 2 0 327.476 2.381 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCSCc1ccccc1)C2 ZINC000903977080 1242824428 /nfs/dbraw/zinc/82/44/28/1242824428.db2.gz INGNPGRXLKKOJP-JZXOWHBKSA-N 2 0 334.485 2.132 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]CC[C@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC001491156243 1258733287 /nfs/dbraw/zinc/73/32/87/1258733287.db2.gz JRVIGZNUGKRXKG-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001491159900 1258735893 /nfs/dbraw/zinc/73/58/93/1258735893.db2.gz FGGDAAPCSNNTCA-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491183266 1258748234 /nfs/dbraw/zinc/74/82/34/1258748234.db2.gz BEBOCSGBPDHTRH-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CCc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001491456457 1259101409 /nfs/dbraw/zinc/10/14/09/1259101409.db2.gz XUEBKQQHPPKREM-GUYCJALGSA-N 2 0 336.480 2.013 10 0 EEAERP O=CN1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000850561812 1277266001 /nfs/dbraw/zinc/26/60/01/1277266001.db2.gz PEQSPWOBZRXHDM-LJQANCHMSA-N 2 0 341.499 2.499 10 0 EEAERP CCCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)O2 ZINC001273669992 1282851621 /nfs/dbraw/zinc/85/16/21/1282851621.db2.gz ZFTCAYCBOJOOGL-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001489314732 1290506456 /nfs/dbraw/zinc/50/64/56/1290506456.db2.gz OHILZNKOQUAWRE-APWZRJJASA-N 2 0 346.519 2.172 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001490195685 1291028913 /nfs/dbraw/zinc/02/89/13/1291028913.db2.gz HOLJLIBNIXBUSH-SFHVURJKSA-N 2 0 347.478 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cc(F)cc(F)c1 ZINC001490282455 1291114543 /nfs/dbraw/zinc/11/45/43/1291114543.db2.gz XNLKFAYLNOYRAX-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]Cc1cncc(F)c1)C1CC1 ZINC001490675595 1291558959 /nfs/dbraw/zinc/55/89/59/1291558959.db2.gz YBPYIOMBHOGZRZ-ZWKOTPCHSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490735632 1291643838 /nfs/dbraw/zinc/64/38/38/1291643838.db2.gz NBEHMSZEJKZKLM-CRAIPNDOSA-N 2 0 333.451 2.070 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490762656 1291694593 /nfs/dbraw/zinc/69/45/93/1291694593.db2.gz KUMNMVPRFFAYLQ-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852871914 1292222811 /nfs/dbraw/zinc/22/28/11/1292222811.db2.gz FCEJPLVXGBKOOK-UHFFFAOYSA-N 2 0 328.460 2.077 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000854231002 1292681888 /nfs/dbraw/zinc/68/18/88/1292681888.db2.gz GMYGCNVGHYHTHO-OAHLLOKOSA-N 2 0 345.487 2.263 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001490902094 1293056075 /nfs/dbraw/zinc/05/60/75/1293056075.db2.gz KERJWINHJGPUAS-IIAWOOMASA-N 2 0 336.505 2.063 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnn(C)c3C)C2)ccn1 ZINC000856552811 1293564122 /nfs/dbraw/zinc/56/41/22/1293564122.db2.gz PKVOJCBTCNHHTE-IBGZPJMESA-N 2 0 343.475 2.229 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(CO)o3)C2)ccn1 ZINC000856552518 1293564330 /nfs/dbraw/zinc/56/43/30/1293564330.db2.gz DJGOFAZGQOIIRL-GOSISDBHSA-N 2 0 345.443 2.272 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCC(F)F)C2)ccn1 ZINC000856584559 1293571960 /nfs/dbraw/zinc/57/19/60/1293571960.db2.gz MOXWXNUWQRGXTP-MRXNPFEDSA-N 2 0 343.418 2.268 10 0 EEAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861662464 1295493213 /nfs/dbraw/zinc/49/32/13/1295493213.db2.gz AIHHLTBIXBTWFP-SFHVURJKSA-N 2 0 344.503 2.087 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862402170 1295830724 /nfs/dbraw/zinc/83/07/24/1295830724.db2.gz ISDMSBNOOFTUEC-QLFBSQMISA-N 2 0 341.496 2.288 10 0 EEAERP COc1cc(-c2noc(C3=CC[C@H]([NH3+])C3)n2)ccc1OCC[NH+](C)C ZINC000863666870 1296378443 /nfs/dbraw/zinc/37/84/43/1296378443.db2.gz BKUKBUIQWYAOAG-AWEZNQCLSA-N 2 0 344.415 2.190 10 0 EEAERP CCO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000926960118 1296969216 /nfs/dbraw/zinc/96/92/16/1296969216.db2.gz DQCFXOAMWMIYSH-SXLOBPIMSA-N 2 0 333.520 2.453 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)[C@H](C)C1 ZINC000926998121 1296985074 /nfs/dbraw/zinc/98/50/74/1296985074.db2.gz ZZOBBVHXYDJRQZ-MTSZKFMLSA-N 2 0 337.508 2.419 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001277186592 1301721310 /nfs/dbraw/zinc/72/13/10/1301721310.db2.gz IICXMZFNJHINRE-WMZOPIPTSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC001277218742 1301881673 /nfs/dbraw/zinc/88/16/73/1301881673.db2.gz SZKIPDXUVLSNJL-CXAGYDPISA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001277356477 1302618121 /nfs/dbraw/zinc/61/81/21/1302618121.db2.gz TYQQZLBYBSKIOE-JKSUJKDBSA-N 2 0 335.467 2.460 10 0 EEAERP CCCCOCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001277423253 1302957064 /nfs/dbraw/zinc/95/70/64/1302957064.db2.gz OMPTYHBSBGRSIG-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CN(CC2CC(F)(F)C2)C1 ZINC001277707146 1304228564 /nfs/dbraw/zinc/22/85/64/1304228564.db2.gz URGGZYPBBCRTMA-UHFFFAOYSA-N 2 0 343.462 2.440 10 0 EEAERP COCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001277818830 1304640974 /nfs/dbraw/zinc/64/09/74/1304640974.db2.gz DANZCAIJDZYHFI-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001278018245 1305697605 /nfs/dbraw/zinc/69/76/05/1305697605.db2.gz ZCFKNOSASITQHL-DOTOQJQBSA-N 2 0 335.467 2.147 10 0 EEAERP COCCCC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001276398479 1314721092 /nfs/dbraw/zinc/72/10/92/1314721092.db2.gz YORZAMJTQCWTFF-AWEZNQCLSA-N 2 0 344.459 2.119 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000838921180 1315195319 /nfs/dbraw/zinc/19/53/19/1315195319.db2.gz LFFHIPRMBBOQDI-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841898865 1315632937 /nfs/dbraw/zinc/63/29/37/1315632937.db2.gz PSOQNMXMVMJHGZ-IMFGXOCKSA-N 2 0 344.503 2.196 10 0 EEAERP COCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278528706 1317153577 /nfs/dbraw/zinc/15/35/77/1317153577.db2.gz IOKPQHKHEYZAJL-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)c1ccccc1 ZINC001278572299 1317260436 /nfs/dbraw/zinc/26/04/36/1317260436.db2.gz MZRMSODDRWMZFB-MJGOQNOKSA-N 2 0 335.467 2.477 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC[C@@H]1CCCCO1)C(C)(C)C ZINC001278995934 1318953273 /nfs/dbraw/zinc/95/32/73/1318953273.db2.gz PCIXJKPTBZALKU-JKSUJKDBSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1cc([C@@H]([NH3+])Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)cc(Cl)n1 ZINC001261442383 1322103954 /nfs/dbraw/zinc/10/39/54/1322103954.db2.gz OWFNMARPEAXYRD-KBPBESRZSA-N 2 0 347.850 2.478 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001264039435 1322596057 /nfs/dbraw/zinc/59/60/57/1322596057.db2.gz VHZMMMCXDCHNHY-ZIAGYGMSSA-N 2 0 349.441 2.497 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC[N@@H+]1CCCOC ZINC001264071759 1322605352 /nfs/dbraw/zinc/60/53/52/1322605352.db2.gz NCVZGZSDFXMACC-RCCFBDPRSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264122301 1322633958 /nfs/dbraw/zinc/63/39/58/1322633958.db2.gz KDEYLMZDBIQGID-KRWDZBQOSA-N 2 0 327.513 2.114 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1conc1C ZINC001264623673 1322753163 /nfs/dbraw/zinc/75/31/63/1322753163.db2.gz JZBUGYABSQUNRB-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001264643919 1322763914 /nfs/dbraw/zinc/76/39/14/1322763914.db2.gz MQELWCKWXNXVOM-QRDOHDAFSA-N 2 0 333.520 2.463 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC001265126751 1322935010 /nfs/dbraw/zinc/93/50/10/1322935010.db2.gz WTEMOVKIQGNWBT-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001265435921 1323154010 /nfs/dbraw/zinc/15/40/10/1323154010.db2.gz YKBXUEQOTOYEQY-HKUYNNGSSA-N 2 0 347.503 2.151 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001265510080 1323189776 /nfs/dbraw/zinc/18/97/76/1323189776.db2.gz FYXKAJYQDBRCFZ-HDJSIYSDSA-N 2 0 335.414 2.442 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001265637180 1323287159 /nfs/dbraw/zinc/28/71/59/1323287159.db2.gz TWPWOLWMVBINSE-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001265683463 1323318887 /nfs/dbraw/zinc/31/88/87/1323318887.db2.gz ANUIPGYWZOJSAZ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001265902950 1323471241 /nfs/dbraw/zinc/47/12/41/1323471241.db2.gz YTHMJRIKEGCYAJ-INIZCTEOSA-N 2 0 347.507 2.159 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001265940165 1323503581 /nfs/dbraw/zinc/50/35/81/1323503581.db2.gz MMYYYYNFKNAZID-KYLNKMBASA-N 2 0 339.483 2.376 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265947426 1323511206 /nfs/dbraw/zinc/51/12/06/1323511206.db2.gz KOMWEIQZDXQSJA-IBGZPJMESA-N 2 0 347.503 2.225 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001265976067 1323536213 /nfs/dbraw/zinc/53/62/13/1323536213.db2.gz HFPGWXPDDWHZMD-HLLBOEOZSA-N 2 0 335.517 2.069 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CC(F)(F)C1 ZINC001266054282 1323605456 /nfs/dbraw/zinc/60/54/56/1323605456.db2.gz NZUQNFCRPHDNIO-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cccnc1C ZINC001266083283 1323641710 /nfs/dbraw/zinc/64/17/10/1323641710.db2.gz WLADBBMIAPLATL-INIZCTEOSA-N 2 0 332.492 2.060 10 0 EEAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001266113847 1323681586 /nfs/dbraw/zinc/68/15/86/1323681586.db2.gz SWHCFHOUQORDDI-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH2+]CCCF ZINC001281429454 1325083192 /nfs/dbraw/zinc/08/31/92/1325083192.db2.gz KHHOCRVQZDXHTF-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001281684552 1325400842 /nfs/dbraw/zinc/40/08/42/1325400842.db2.gz TXPXIWKAUQWZBE-SJORKVTESA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001281744260 1325434079 /nfs/dbraw/zinc/43/40/79/1325434079.db2.gz VBASIVDJOAHQIP-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccns1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283229755 1325963337 /nfs/dbraw/zinc/96/33/37/1325963337.db2.gz PNINJLIPPMVPCU-ILXRZTDVSA-N 2 0 338.521 2.248 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1F ZINC001491682490 1330204340 /nfs/dbraw/zinc/20/43/40/1330204340.db2.gz LWASUXXDJDWFRJ-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001491859257 1330276814 /nfs/dbraw/zinc/27/68/14/1330276814.db2.gz RWQDDHAXHIYPGK-HNNXBMFYSA-N 2 0 338.883 2.013 10 0 EEAERP COCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491888976 1330290504 /nfs/dbraw/zinc/29/05/04/1330290504.db2.gz MAEDYTIBIDXULV-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001491951543 1330342915 /nfs/dbraw/zinc/34/29/15/1330342915.db2.gz IXOIDXASPQIVPQ-YJBOKZPZSA-N 2 0 345.478 2.481 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492175905 1331055019 /nfs/dbraw/zinc/05/50/19/1331055019.db2.gz NKJACBZZLJACKC-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCCOC)CC2)[NH+](C)C ZINC001316672191 1331164740 /nfs/dbraw/zinc/16/47/40/1331164740.db2.gz ZQLJZTYXDHUGPC-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)on1 ZINC001316855010 1331477664 /nfs/dbraw/zinc/47/76/64/1331477664.db2.gz QRAJUUZOCYONQY-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H]1CCCC(F)(F)C1 ZINC001316815217 1331845223 /nfs/dbraw/zinc/84/52/23/1331845223.db2.gz IMSPZNFDVAZKNP-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317063124 1332066167 /nfs/dbraw/zinc/06/61/67/1332066167.db2.gz RVXPEKANLUSTGZ-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001317239662 1332148647 /nfs/dbraw/zinc/14/86/47/1332148647.db2.gz CYVLCLPCUIUQMV-MSOLQXFVSA-N 2 0 347.503 2.341 10 0 EEAERP CCc1nocc1C[NH2+]CCN(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001317585636 1332309253 /nfs/dbraw/zinc/30/92/53/1332309253.db2.gz SWROBTWPHCZZFX-UHFFFAOYSA-N 2 0 341.415 2.055 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317599386 1332318431 /nfs/dbraw/zinc/31/84/31/1332318431.db2.gz UJZFUKFPTKJSQX-WBVHZDCISA-N 2 0 348.491 2.110 10 0 EEAERP Cc1nccn1CCCC(=O)N(C)CC[NH2+]Cc1ccccc1F ZINC001317639493 1332342663 /nfs/dbraw/zinc/34/26/63/1332342663.db2.gz KJKZXTWMEGEGQZ-UHFFFAOYSA-N 2 0 332.423 2.359 10 0 EEAERP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001317677555 1332366091 /nfs/dbraw/zinc/36/60/91/1332366091.db2.gz BNLVFXUHQIBULI-QAPCUYQASA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318153775 1332480211 /nfs/dbraw/zinc/48/02/11/1332480211.db2.gz AQDXNKFVUVHDMX-SFHVURJKSA-N 2 0 343.515 2.399 10 0 EEAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CCCCOC)C1 ZINC001318485781 1332550149 /nfs/dbraw/zinc/55/01/49/1332550149.db2.gz UCKLQMDHYKKGOV-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOc1ccc(C)cc1 ZINC001318569143 1332562350 /nfs/dbraw/zinc/56/23/50/1332562350.db2.gz SGCWYIMAOKHFDX-SFHVURJKSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@@H](C[NH2+]CCCCC1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319436893 1332701159 /nfs/dbraw/zinc/70/11/59/1332701159.db2.gz NLUNLLMBVUGVAP-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319493487 1332711114 /nfs/dbraw/zinc/71/11/14/1332711114.db2.gz LXWBPIMGJQRINJ-KRWDZBQOSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001319713657 1332748400 /nfs/dbraw/zinc/74/84/00/1332748400.db2.gz LHYJVOWTUCLLAL-MSOLQXFVSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001319776513 1332764690 /nfs/dbraw/zinc/76/46/90/1332764690.db2.gz AAKHJJOXXAKRLG-IRXDYDNUSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1 ZINC001320473794 1332892072 /nfs/dbraw/zinc/89/20/72/1332892072.db2.gz JKQSYOFCHHBQAL-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001320477441 1332893618 /nfs/dbraw/zinc/89/36/18/1332893618.db2.gz WTTIAWSNZZZIJS-CYBMUJFWSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320548878 1332907879 /nfs/dbraw/zinc/90/78/79/1332907879.db2.gz NNWJCFAMYAWSCF-INIZCTEOSA-N 2 0 334.508 2.352 10 0 EEAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001320735001 1332943132 /nfs/dbraw/zinc/94/31/32/1332943132.db2.gz QGGAQBNHLSWURP-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1C1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921611 1332980020 /nfs/dbraw/zinc/98/00/20/1332980020.db2.gz NRRQOUDABVXBFM-GOSISDBHSA-N 2 0 329.488 2.454 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321056204 1333007071 /nfs/dbraw/zinc/00/70/71/1333007071.db2.gz CENUZSRVVHUJBK-TUYSUELWSA-N 2 0 348.491 2.180 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001321066073 1333010178 /nfs/dbraw/zinc/01/01/78/1333010178.db2.gz ZAWPRHADLRHWGO-BAHPRDJBSA-N 2 0 333.501 2.160 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001321909380 1333177998 /nfs/dbraw/zinc/17/79/98/1333177998.db2.gz RIVXJGJFQHYFOI-HNNXBMFYSA-N 2 0 333.451 2.091 10 0 EEAERP C[C@@H](C[NH2+]CCOCc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321959296 1333186473 /nfs/dbraw/zinc/18/64/73/1333186473.db2.gz XGBFOGGPHCJAFX-LNLFQRSKSA-N 2 0 347.503 2.028 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCc3ccsc3)CC2)C1 ZINC001323542907 1333485737 /nfs/dbraw/zinc/48/57/37/1333485737.db2.gz SACKAJZEUBQCOZ-OAHLLOKOSA-N 2 0 335.517 2.261 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001324221271 1333637435 /nfs/dbraw/zinc/63/74/35/1333637435.db2.gz LSVFIHQHPQIYHG-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001324321372 1333657558 /nfs/dbraw/zinc/65/75/58/1333657558.db2.gz DMSWGDWZQUGCPJ-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]Cc3coc(C)n3)C2)CC[N@@H+]1C ZINC001326273358 1334057229 /nfs/dbraw/zinc/05/72/29/1334057229.db2.gz SNEAZYWLXATWBU-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326362823 1334076274 /nfs/dbraw/zinc/07/62/74/1334076274.db2.gz CTLPLBVSHJVZOI-QUCCMNQESA-N 2 0 343.515 2.399 10 0 EEAERP CCOCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001327694694 1334335388 /nfs/dbraw/zinc/33/53/88/1334335388.db2.gz AINYMGKVAYUDBN-UHFFFAOYSA-N 2 0 345.487 2.141 10 0 EEAERP O=C(NC1CC(C[NH2+]C/C=C\Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001328876757 1334539644 /nfs/dbraw/zinc/53/96/44/1334539644.db2.gz SWEOCHYYCVKUMF-UTCJRWHESA-N 2 0 325.884 2.099 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001330686010 1334886858 /nfs/dbraw/zinc/88/68/58/1334886858.db2.gz HVCZNXCMYBSJCG-QUFRYONLSA-N 2 0 327.900 2.344 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC2CCOCC2)CC[N@@H+]1C ZINC001330820251 1334909092 /nfs/dbraw/zinc/90/90/92/1334909092.db2.gz JLFUKVDUYGDFGD-RYQLBKOJSA-N 2 0 339.524 2.018 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001330823554 1334909782 /nfs/dbraw/zinc/90/97/82/1334909782.db2.gz WTFQBYUSKDTEHH-GPMSIDNRSA-N 2 0 347.503 2.410 10 0 EEAERP Cn1nc(Br)nc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC001331534740 1335033032 /nfs/dbraw/zinc/03/30/32/1335033032.db2.gz XROCXNIKKCWCJA-UHFFFAOYSA-N 2 0 344.301 2.323 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001332826030 1335914478 /nfs/dbraw/zinc/91/44/78/1335914478.db2.gz OBMZANXXYXAVKN-HOTGVXAUSA-N 2 0 332.492 2.366 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849094970 1338837562 /nfs/dbraw/zinc/83/75/62/1338837562.db2.gz JKXHVIYUUJXBSD-INIZCTEOSA-N 2 0 348.491 2.152 10 0 EEAERP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000849095819 1338838602 /nfs/dbraw/zinc/83/86/02/1338838602.db2.gz OMEVJZGDOMVMHU-WMZOPIPTSA-N 2 0 330.476 2.144 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(Cc2c[nH]c(=O)c3ccccc23)CCO1 ZINC001414018720 1339120236 /nfs/dbraw/zinc/12/02/36/1339120236.db2.gz VJWHLYUJSUPVON-MRXNPFEDSA-N 2 0 329.444 2.483 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001436330873 1342034683 /nfs/dbraw/zinc/03/46/83/1342034683.db2.gz NOOTTWJVPJUZCD-GJZGRUSLSA-N 2 0 343.462 2.296 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001502546002 1342208587 /nfs/dbraw/zinc/20/85/87/1342208587.db2.gz MCSNAABFMDFNJA-HFTQHKIXSA-N 2 0 327.900 2.395 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566742739 1342621631 /nfs/dbraw/zinc/62/16/31/1342621631.db2.gz BNUJCVXBPUEQHP-QGZVFWFLSA-N 2 0 341.540 2.171 10 0 EEAERP Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CCCNC(=O)C[NH+]2CCCC2)o1 ZINC001567267793 1342729312 /nfs/dbraw/zinc/72/93/12/1342729312.db2.gz YJEOIZHGLWPLSB-QGZVFWFLSA-N 2 0 348.491 2.248 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676017884 1357088993 /nfs/dbraw/zinc/08/89/93/1357088993.db2.gz DBINLUSPRVRGAF-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018446 1357089952 /nfs/dbraw/zinc/08/99/52/1357089952.db2.gz MQTLYTXDUVHUQW-IAGOWNOFSA-N 2 0 347.503 2.330 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568783128 1342854935 /nfs/dbraw/zinc/85/49/35/1342854935.db2.gz NRQZCJGOYKBWSR-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001570004473 1342996274 /nfs/dbraw/zinc/99/62/74/1342996274.db2.gz JLESBOVPYBXABH-KBPBESRZSA-N 2 0 348.318 2.475 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001570008581 1342997771 /nfs/dbraw/zinc/99/77/71/1342997771.db2.gz OGPVKXSOIDBING-GOSISDBHSA-N 2 0 344.503 2.142 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](CCCOC)CC2 ZINC001570486048 1343074092 /nfs/dbraw/zinc/07/40/92/1343074092.db2.gz XUBBMEMQUIJWGS-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001571277052 1343172352 /nfs/dbraw/zinc/17/23/52/1343172352.db2.gz HPNWDWBJHLNXRN-WMLDXEAASA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001676244119 1357126219 /nfs/dbraw/zinc/12/62/19/1357126219.db2.gz PGSAXCVYNVPUKQ-FVCMFYPNSA-N 2 0 327.900 2.296 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001676249910 1357126565 /nfs/dbraw/zinc/12/65/65/1357126565.db2.gz QKULVWQSXIBKAC-GXTWGEPZSA-N 2 0 348.318 2.474 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001676679997 1357180013 /nfs/dbraw/zinc/18/00/13/1357180013.db2.gz GWUYNYJFBAPLSQ-AEFFLSMTSA-N 2 0 339.524 2.111 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001676767219 1357196831 /nfs/dbraw/zinc/19/68/31/1357196831.db2.gz MZJMRHQQLKIQHN-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)CCCCC1 ZINC001676945115 1357246952 /nfs/dbraw/zinc/24/69/52/1357246952.db2.gz HYEXEDQVQHESTO-HOTGVXAUSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CC[N@@H+]1C1CCCC1 ZINC001646993131 1353094398 /nfs/dbraw/zinc/09/43/98/1353094398.db2.gz LOMDVRDAPNMDQO-OAHLLOKOSA-N 2 0 330.476 2.232 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC(Cc3c[nH]cn3)CC2)C1 ZINC001649353272 1353492678 /nfs/dbraw/zinc/49/26/78/1353492678.db2.gz MQHBOOSNLQMVHF-SFHVURJKSA-N 2 0 336.455 2.403 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1scnc1C ZINC001660409368 1354460192 /nfs/dbraw/zinc/46/01/92/1354460192.db2.gz ZFRVRQYTAMSABX-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1ccccn1)C1CC1 ZINC001660753266 1354532236 /nfs/dbraw/zinc/53/22/36/1354532236.db2.gz QBKKFAHNIVYKOO-IAGOWNOFSA-N 2 0 344.503 2.425 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CC[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001661934205 1354725117 /nfs/dbraw/zinc/72/51/17/1354725117.db2.gz LJWHURVSADHKKJ-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662712677 1354830496 /nfs/dbraw/zinc/83/04/96/1354830496.db2.gz SRAKAGFIYRKRLV-ZWKOTPCHSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001662721683 1354831630 /nfs/dbraw/zinc/83/16/30/1354831630.db2.gz GAOVQJUKFRBRRV-HXUWFJFHSA-N 2 0 343.515 2.462 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001663553250 1354985296 /nfs/dbraw/zinc/98/52/96/1354985296.db2.gz RBEBACVNTBETIU-LJQANCHMSA-N 2 0 344.503 2.428 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001663624991 1355003452 /nfs/dbraw/zinc/00/34/52/1355003452.db2.gz LDLHXUPWKLQXCU-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C)c(F)c2)CC[N@@H+]1C ZINC001663942829 1355057652 /nfs/dbraw/zinc/05/76/52/1355057652.db2.gz ZBLTYNIFZQHGKR-FUHWJXTLSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2cscn2)C1 ZINC001666173241 1355475707 /nfs/dbraw/zinc/47/57/07/1355475707.db2.gz QPHTZDOFBQPJLH-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001666172653 1355475857 /nfs/dbraw/zinc/47/58/57/1355475857.db2.gz KSQRGCXLBDAXHF-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCC2CC2)cc1)C12CC[NH+](CC1)C2 ZINC001666347211 1355514879 /nfs/dbraw/zinc/51/48/79/1355514879.db2.gz GMKLBLWNRLHNMS-UHFFFAOYSA-N 2 0 327.472 2.288 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001667279191 1355696823 /nfs/dbraw/zinc/69/68/23/1355696823.db2.gz NUOKBQQPRYSJMW-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668274042 1355913728 /nfs/dbraw/zinc/91/37/28/1355913728.db2.gz NEKUKVWUAIBMAU-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)C[NH+]1CCCC1 ZINC001668309789 1355920820 /nfs/dbraw/zinc/92/08/20/1355920820.db2.gz MKQVEAMMTSUWAV-GFCCVEGCSA-N 2 0 329.897 2.482 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668614462 1355973564 /nfs/dbraw/zinc/97/35/64/1355973564.db2.gz VSUWOWAIDMKVHA-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C/Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865549 1356028492 /nfs/dbraw/zinc/02/84/92/1356028492.db2.gz ZVFABVNPJLFELH-KSDLPHOASA-N 2 0 325.884 2.408 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001669400013 1356154545 /nfs/dbraw/zinc/15/45/45/1356154545.db2.gz XTYRFCJAGSUEIO-CVEARBPZSA-N 2 0 327.513 2.018 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1C ZINC001670100042 1356275519 /nfs/dbraw/zinc/27/55/19/1356275519.db2.gz NVRULDHHMIKWKR-VQIMIIECSA-N 2 0 346.519 2.031 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001670232984 1356300507 /nfs/dbraw/zinc/30/05/07/1356300507.db2.gz GDDJCRPZYMMYJC-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)oc1C ZINC001670353232 1356326177 /nfs/dbraw/zinc/32/61/77/1356326177.db2.gz RXVRWIMIKMMQOT-KBPBESRZSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001671385318 1356333390 /nfs/dbraw/zinc/33/33/90/1356333390.db2.gz TZMWVJMSRRMQGW-GOSISDBHSA-N 2 0 345.487 2.050 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001671379432 1356333881 /nfs/dbraw/zinc/33/38/81/1356333881.db2.gz OTXDPMUJYYOMEC-OALUTQOASA-N 2 0 329.488 2.070 10 0 EEAERP COCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001672537432 1356549398 /nfs/dbraw/zinc/54/93/98/1356549398.db2.gz HUFMHBHBIFMPQD-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001672820468 1356592431 /nfs/dbraw/zinc/59/24/31/1356592431.db2.gz LQURLCUPZXEGKJ-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001672910866 1356613034 /nfs/dbraw/zinc/61/30/34/1356613034.db2.gz PHWQMNKUMPYUHT-CYBMUJFWSA-N 2 0 334.291 2.229 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001672916381 1356614108 /nfs/dbraw/zinc/61/41/08/1356614108.db2.gz OZSRDTNVIGTIHE-INIZCTEOSA-N 2 0 337.533 2.459 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001672979021 1356625571 /nfs/dbraw/zinc/62/55/71/1356625571.db2.gz QNQBLWLNDBUAQG-KZNAEPCWSA-N 2 0 339.524 2.162 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001673288480 1356661761 /nfs/dbraw/zinc/66/17/61/1356661761.db2.gz LLHKONQVSLDZOY-KRWDZBQOSA-N 2 0 344.459 2.264 10 0 EEAERP CCOCC[NH2+]C1(CC)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001673617526 1356717876 /nfs/dbraw/zinc/71/78/76/1356717876.db2.gz KCSNPYVIGJTVQX-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccns2)ccc2c[nH+]cn21 ZINC001674687187 1356876478 /nfs/dbraw/zinc/87/64/78/1356876478.db2.gz NFTMWLTVWYPTEH-NWDGAFQWSA-N 2 0 343.456 2.396 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001698805949 1405078765 /nfs/dbraw/zinc/07/87/65/1405078765.db2.gz ATVRYAVOECWWGU-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001698920416 1405161950 /nfs/dbraw/zinc/16/19/50/1405161950.db2.gz ALFPNWSNKUYBNA-INIZCTEOSA-N 2 0 345.447 2.131 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1nc2ccccc2o1 ZINC001699550640 1405386311 /nfs/dbraw/zinc/38/63/11/1405386311.db2.gz KEKWTRKDQAYJGB-CABCVRRESA-N 2 0 344.459 2.279 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001699595619 1405411789 /nfs/dbraw/zinc/41/17/89/1405411789.db2.gz UJEYAOHFUAWQRT-CQSZACIVSA-N 2 0 335.414 2.155 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001699762261 1405471785 /nfs/dbraw/zinc/47/17/85/1405471785.db2.gz OWCHGAZRQJFGBF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001699843814 1405523233 /nfs/dbraw/zinc/52/32/33/1405523233.db2.gz FOFMRQGQCRCLNQ-ROUUACIJSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C[NH+](C)C ZINC000921388298 773327503 /nfs/dbraw/zinc/32/75/03/773327503.db2.gz FNBTVSYVJSDHEH-NVXWUHKLSA-N 2 0 349.523 2.350 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846698030 790434763 /nfs/dbraw/zinc/43/47/63/790434763.db2.gz AOIMVIFRMBYZPN-KSZLIROESA-N 2 0 339.524 2.386 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1[NH+]1CCCC1 ZINC000907349347 784576237 /nfs/dbraw/zinc/57/62/37/784576237.db2.gz FFMKIQXDCPCXNI-MWDXBVQZSA-N 2 0 337.533 2.042 10 0 EEAERP C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CCC[NH2+]1 ZINC000709521408 786951468 /nfs/dbraw/zinc/95/14/68/786951468.db2.gz KXVWCVNGOCYPKG-SXLOBPIMSA-N 2 0 327.472 2.109 10 0 EEAERP C[C@@H](C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)[NH+](C)C ZINC000913082247 788613863 /nfs/dbraw/zinc/61/38/63/788613863.db2.gz DRSSDNAOSDVISI-PWIZWCRZSA-N 2 0 329.488 2.307 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000844172894 788885762 /nfs/dbraw/zinc/88/57/62/788885762.db2.gz JDHQBGSCHPVTCT-UKRRQHHQSA-N 2 0 338.883 2.234 10 0 EEAERP O=C1O[C@H](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000844323837 789025201 /nfs/dbraw/zinc/02/52/01/789025201.db2.gz CGRZWKQQFOYKIX-ZIFCJYIRSA-N 2 0 341.455 2.033 10 0 EEAERP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307300 789333077 /nfs/dbraw/zinc/33/30/77/789333077.db2.gz RBAORHOOPINBQT-NSHDSACASA-N 2 0 331.279 2.321 10 0 EEAERP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301767 789336897 /nfs/dbraw/zinc/33/68/97/789336897.db2.gz XJRXOZSUNUMMOM-CYBMUJFWSA-N 2 0 330.350 2.396 10 0 EEAERP O=C(NCCc1cccs1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923308886 789364928 /nfs/dbraw/zinc/36/49/28/789364928.db2.gz IFZGPNOWTDHXFL-UHFFFAOYSA-N 2 0 335.517 2.261 10 0 EEAERP C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923310185 789367520 /nfs/dbraw/zinc/36/75/20/789367520.db2.gz SBDAUMJZTCANSY-NSHDSACASA-N 2 0 331.279 2.321 10 0 EEAERP c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923323495 789382020 /nfs/dbraw/zinc/38/20/20/789382020.db2.gz ZVLZYKVSZSXRRN-LJQANCHMSA-N 2 0 341.499 2.140 10 0 EEAERP Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000923364931 789441934 /nfs/dbraw/zinc/44/19/34/789441934.db2.gz DFGCYHOBINFLAL-QUCCMNQESA-N 2 0 332.488 2.427 10 0 EEAERP COc1ccc(OCCC[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923454118 789588510 /nfs/dbraw/zinc/58/85/10/789588510.db2.gz OQLZZMCFZBAGIU-SFHVURJKSA-N 2 0 334.460 2.294 10 0 EEAERP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495263 789652768 /nfs/dbraw/zinc/65/27/68/789652768.db2.gz AALAUFJDTFCSHX-SJORKVTESA-N 2 0 347.503 2.146 10 0 EEAERP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498817 789681366 /nfs/dbraw/zinc/68/13/66/789681366.db2.gz LSMRPKYRWXRERX-YHUYYLMFSA-N 2 0 333.476 2.178 10 0 EEAERP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923499270 789682461 /nfs/dbraw/zinc/68/24/61/789682461.db2.gz RTLZJXQLDWOFJS-MSOLQXFVSA-N 2 0 331.504 2.187 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH+]1C ZINC000923511879 789698764 /nfs/dbraw/zinc/69/87/64/789698764.db2.gz YIMMSZLSHPGIMT-FPAYPSAMSA-N 2 0 344.503 2.146 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC000921617955 789933860 /nfs/dbraw/zinc/93/38/60/789933860.db2.gz UUUYIFPMUZOYEK-AQEOSJORSA-N 2 0 336.524 2.421 10 0 EEAERP CSCc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000921747026 795726431 /nfs/dbraw/zinc/72/64/31/795726431.db2.gz KXUMYPCOCRALNQ-IBGZPJMESA-N 2 0 349.544 2.046 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc3[nH]c(=O)oc32)ccn1 ZINC000921943181 798287872 /nfs/dbraw/zinc/28/78/72/798287872.db2.gz ZUQYDAFCSVMKOT-UHFFFAOYSA-N 2 0 342.399 2.159 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001176037953 798326342 /nfs/dbraw/zinc/32/63/42/798326342.db2.gz COOPZGKYBOEDRX-QFBILLFUSA-N 2 0 344.503 2.497 10 0 EEAERP C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000922639490 801561926 /nfs/dbraw/zinc/56/19/26/801561926.db2.gz OAGQQOWKSIMQRD-ZWNOBZJWSA-N 2 0 328.359 2.194 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001565977854 1125480240 /nfs/dbraw/zinc/48/02/40/1125480240.db2.gz NNSABODSEKHDFX-MCIONIFRSA-N 2 0 348.318 2.474 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001566122133 1125569445 /nfs/dbraw/zinc/56/94/45/1125569445.db2.gz KYSKTJOUERDNGV-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001566456198 1125616506 /nfs/dbraw/zinc/61/65/06/1125616506.db2.gz CJWNILQVWDWYIQ-SUMDDJOVSA-N 2 0 329.488 2.452 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@@H]1CCC(F)(F)C1 ZINC001566465929 1125625470 /nfs/dbraw/zinc/62/54/70/1125625470.db2.gz JSKPEHVLABHAAI-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC001436419178 1087777885 /nfs/dbraw/zinc/77/78/85/1087777885.db2.gz OYJWVAWIMVUKDJ-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001436475786 1087943951 /nfs/dbraw/zinc/94/39/51/1087943951.db2.gz ITSULKHBZYWKRJ-JZXOWHBKSA-N 2 0 339.524 2.255 10 0 EEAERP CC[C@H](C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)OC ZINC001436476286 1087947341 /nfs/dbraw/zinc/94/73/41/1087947341.db2.gz NCNNADMAFJYZJU-DLBZAZTESA-N 2 0 327.513 2.114 10 0 EEAERP C[C@H](F)CC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001436791953 1088354278 /nfs/dbraw/zinc/35/42/78/1088354278.db2.gz AFPAKNNHBSUYOX-GOEBONIOSA-N 2 0 325.472 2.095 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC001436830226 1088440044 /nfs/dbraw/zinc/44/00/44/1088440044.db2.gz FIKUKIVGYLNLKE-LJQANCHMSA-N 2 0 345.487 2.041 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001436838264 1088465685 /nfs/dbraw/zinc/46/56/85/1088465685.db2.gz RKFFSWZABGJWGH-KBPBESRZSA-N 2 0 335.414 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437162326 1089172641 /nfs/dbraw/zinc/17/26/41/1089172641.db2.gz ZYAOSAVXKYTLJK-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001437202460 1089267757 /nfs/dbraw/zinc/26/77/57/1089267757.db2.gz KRTGPRRHSXFINJ-IEBWSBKVSA-N 2 0 331.504 2.445 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001437262467 1089405349 /nfs/dbraw/zinc/40/53/49/1089405349.db2.gz PCRIPXVBBWYEBD-PXAZEXFGSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001437325273 1089491838 /nfs/dbraw/zinc/49/18/38/1089491838.db2.gz QZEPLKAZJRUUAR-HOTGVXAUSA-N 2 0 336.455 2.078 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437326002 1089494150 /nfs/dbraw/zinc/49/41/50/1089494150.db2.gz SFHUKZPXTQJFCO-ZWKOTPCHSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001437423078 1089707728 /nfs/dbraw/zinc/70/77/28/1089707728.db2.gz PRTPKXQVASHDIL-CRAIPNDOSA-N 2 0 340.471 2.171 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc2cc[nH]c2c1 ZINC001437593631 1090094124 /nfs/dbraw/zinc/09/41/24/1090094124.db2.gz WIVJRUYWBPLXBM-SFHVURJKSA-N 2 0 328.460 2.200 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001437703701 1090250172 /nfs/dbraw/zinc/25/01/72/1090250172.db2.gz PVLQWGQPXPEKIF-SFHVURJKSA-N 2 0 333.451 2.311 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001437723947 1090277511 /nfs/dbraw/zinc/27/75/11/1090277511.db2.gz GGSCZDYJXMPCLY-HKUYNNGSSA-N 2 0 329.488 2.275 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2nccs2)CC1 ZINC001437848051 1090431165 /nfs/dbraw/zinc/43/11/65/1090431165.db2.gz AFRRCLNXHGUKRC-AWEZNQCLSA-N 2 0 338.521 2.200 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cncc(C)c1 ZINC001438304225 1090783356 /nfs/dbraw/zinc/78/33/56/1090783356.db2.gz MUAPAILFLLDKRS-ROUUACIJSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@H]1CCc2ccccc21 ZINC001438519334 1091012334 /nfs/dbraw/zinc/01/23/34/1091012334.db2.gz VWILCOCITIOTHN-QAPCUYQASA-N 2 0 329.488 2.358 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(Cl)cc1 ZINC001438549256 1091041013 /nfs/dbraw/zinc/04/10/13/1091041013.db2.gz WWQQFWBFPIALRF-CQSZACIVSA-N 2 0 335.879 2.278 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCC(C)(C)C)CCO1 ZINC001438576602 1091063293 /nfs/dbraw/zinc/06/32/93/1091063293.db2.gz XWZKZNMDSBWAEC-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438680813 1091177701 /nfs/dbraw/zinc/17/77/01/1091177701.db2.gz IMVHFDZFXWYVOD-HOCLYGCPSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@H](C[NH2+]Cc1nc(C(C)(C)C)cs1)N(C)C(=O)CC[NH+](C)C ZINC001438696920 1091200756 /nfs/dbraw/zinc/20/07/56/1091200756.db2.gz XHIKICKBEYSKCW-CYBMUJFWSA-N 2 0 340.537 2.329 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480227 1091259850 /nfs/dbraw/zinc/25/98/50/1091259850.db2.gz ISEZVOJMQVZONH-RDTXWAMCSA-N 2 0 345.462 2.393 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438728484 1091265150 /nfs/dbraw/zinc/26/51/50/1091265150.db2.gz KTBPGCFGWRZUQO-RTBURBONSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC(C)(C)C1 ZINC001438807506 1091418039 /nfs/dbraw/zinc/41/80/39/1091418039.db2.gz FMWYBJPNJYBRID-QZTJIDSGSA-N 2 0 335.536 2.495 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)sn1 ZINC001438851144 1091488492 /nfs/dbraw/zinc/48/84/92/1091488492.db2.gz QDCHPIKJQCITBR-HNNXBMFYSA-N 2 0 326.510 2.022 10 0 EEAERP C[C@@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445817261 1091695978 /nfs/dbraw/zinc/69/59/78/1091695978.db2.gz PZHGPBKWVBVOMQ-MAUKXSAKSA-N 2 0 329.488 2.452 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001445948494 1091888148 /nfs/dbraw/zinc/88/81/48/1091888148.db2.gz KJTLGKHYAJISGX-IPMKNSEASA-N 2 0 329.488 2.401 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001446017057 1092002123 /nfs/dbraw/zinc/00/21/23/1092002123.db2.gz PCAOAMCZQOXMHF-MSOLQXFVSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439401387 1092157592 /nfs/dbraw/zinc/15/75/92/1092157592.db2.gz BGZPFWPHSRZTMN-YIEHMZNDSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cc1C ZINC001446168028 1092223627 /nfs/dbraw/zinc/22/36/27/1092223627.db2.gz MEHIOCJAEOMYHQ-IBGZPJMESA-N 2 0 341.499 2.384 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCOCC2)C1)[NH+](C)C ZINC001439858884 1092886786 /nfs/dbraw/zinc/88/67/86/1092886786.db2.gz NPOOHKMCZHVONH-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001439906060 1092972691 /nfs/dbraw/zinc/97/26/91/1092972691.db2.gz SCSMJNLNORWVQT-FXAWDEMLSA-N 2 0 347.478 2.496 10 0 EEAERP CC[NH+]1CCC(N(Cc2ccccn2)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001440125680 1093186966 /nfs/dbraw/zinc/18/69/66/1093186966.db2.gz BVQXTWPWCBJKNF-UHFFFAOYSA-N 2 0 344.503 2.379 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001440176491 1093233748 /nfs/dbraw/zinc/23/37/48/1093233748.db2.gz ANJQIZUBUQIQCS-YLJYHZDGSA-N 2 0 347.503 2.033 10 0 EEAERP COC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001440221575 1093300010 /nfs/dbraw/zinc/30/00/10/1093300010.db2.gz ZLGWZHCKYZFJRR-MRXNPFEDSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001440310437 1093440902 /nfs/dbraw/zinc/44/09/02/1093440902.db2.gz CJVPAESQDBWFGB-MDZRGWNJSA-N 2 0 347.478 2.460 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001440406761 1093596152 /nfs/dbraw/zinc/59/61/52/1093596152.db2.gz SXEOUWKAHDDBQI-MJBXVCDLSA-N 2 0 337.430 2.400 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001440475554 1093705326 /nfs/dbraw/zinc/70/53/26/1093705326.db2.gz SWQRDILFOVVAJM-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccccc1 ZINC001448716182 1093788771 /nfs/dbraw/zinc/78/87/71/1093788771.db2.gz IRINFSHGJWRTKA-SJLPKXTDSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001448723487 1093795101 /nfs/dbraw/zinc/79/51/01/1093795101.db2.gz FYASARBASMEKDX-WMLDXEAASA-N 2 0 336.480 2.182 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nsc2ccccc12 ZINC001440587946 1093853804 /nfs/dbraw/zinc/85/38/04/1093853804.db2.gz IKXHNZOOCCTIHH-XJKSGUPXSA-N 2 0 346.500 2.185 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001448787221 1093865883 /nfs/dbraw/zinc/86/58/83/1093865883.db2.gz PKOKKAQPVDICMD-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]Cc2cc(C3CC3)no2)C1)C1CCC1 ZINC001440759703 1094001925 /nfs/dbraw/zinc/00/19/25/1094001925.db2.gz SPHBXCVKJHVBPZ-UHFFFAOYSA-N 2 0 346.475 2.021 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440818556 1094071846 /nfs/dbraw/zinc/07/18/46/1094071846.db2.gz IHAULMBXCHBFTO-JKSUJKDBSA-N 2 0 332.492 2.247 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)[NH+](C)C ZINC001449086954 1094099706 /nfs/dbraw/zinc/09/97/06/1094099706.db2.gz IXTKCPVJYQIHDD-STQMWFEESA-N 2 0 337.430 2.352 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC2(C)C)o1 ZINC001449087453 1094100388 /nfs/dbraw/zinc/10/03/88/1094100388.db2.gz UVUZRIWBRIGNNC-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440851804 1094111397 /nfs/dbraw/zinc/11/13/97/1094111397.db2.gz FNBYHIDVRVINAK-GJZGRUSLSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C[C@H]1CCOC1 ZINC001440951328 1094204994 /nfs/dbraw/zinc/20/49/94/1094204994.db2.gz FQBDPJJLAFVGQD-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001441015792 1094294738 /nfs/dbraw/zinc/29/47/38/1094294738.db2.gz XRORLNJKVRPMKF-QAPCUYQASA-N 2 0 346.519 2.402 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001441023068 1094309415 /nfs/dbraw/zinc/30/94/15/1094309415.db2.gz KGLPHYQCEKBPOU-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CC[C@H](C(=O)NC1(C2CC[NH+](CCOC(C)C)CC2)CC1)[NH+](C)C ZINC001449411739 1094395367 /nfs/dbraw/zinc/39/53/67/1094395367.db2.gz QQACLLZHIZCUFQ-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001441167236 1094517889 /nfs/dbraw/zinc/51/78/89/1094517889.db2.gz NVFONNHOYGLMMZ-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)o1 ZINC001441217855 1094583593 /nfs/dbraw/zinc/58/35/93/1094583593.db2.gz YGPKZXXUNKOMOC-JKSUJKDBSA-N 2 0 348.491 2.014 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1)C1CCC1 ZINC001441335330 1094808499 /nfs/dbraw/zinc/80/84/99/1094808499.db2.gz GOBZDRUAMGFHFO-FGTMMUONSA-N 2 0 333.520 2.488 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001441488516 1095165529 /nfs/dbraw/zinc/16/55/29/1095165529.db2.gz PRILQURYFSJPGV-OTWHNJEPSA-N 2 0 344.503 2.310 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001441539578 1095257158 /nfs/dbraw/zinc/25/71/58/1095257158.db2.gz HCAFEJUNFSUNGE-GASCZTMLSA-N 2 0 336.505 2.064 10 0 EEAERP C[N@@H+]1CCCN(c2ccc(NC(=O)CC[NH+]3CC[C@@H](F)C3)cc2)CC1 ZINC001441637175 1095544276 /nfs/dbraw/zinc/54/42/76/1095544276.db2.gz DITLQPVEDYKOGT-MRXNPFEDSA-N 2 0 348.466 2.201 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C(C)(C)C1 ZINC001441925050 1096109913 /nfs/dbraw/zinc/10/99/13/1096109913.db2.gz AZTUYEXGBWFKMV-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001441942232 1096140928 /nfs/dbraw/zinc/14/09/28/1096140928.db2.gz LUCMZVPUWAHTPY-ULQDDVLXSA-N 2 0 346.519 2.077 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001442105815 1096332195 /nfs/dbraw/zinc/33/21/95/1096332195.db2.gz PZLOTOSLIMBPDI-DLBZAZTESA-N 2 0 327.513 2.063 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001442185011 1096455161 /nfs/dbraw/zinc/45/51/61/1096455161.db2.gz QOPPUHLYAPMUTO-OAHLLOKOSA-N 2 0 340.537 2.332 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001442204885 1096489232 /nfs/dbraw/zinc/48/92/32/1096489232.db2.gz NKJMUOXPTPSTIY-HUUCEWRRSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1F ZINC001442255341 1096557015 /nfs/dbraw/zinc/55/70/15/1096557015.db2.gz LJSZBAKJASMWKD-RHSMWYFYSA-N 2 0 333.451 2.152 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001442261178 1096564239 /nfs/dbraw/zinc/56/42/39/1096564239.db2.gz RWTZFVAGOPDEKA-JXQTWKCFSA-N 2 0 335.414 2.392 10 0 EEAERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cn1 ZINC001442361232 1096683735 /nfs/dbraw/zinc/68/37/35/1096683735.db2.gz WUJJHAJCZREVEL-PBHICJAKSA-N 2 0 336.455 2.080 10 0 EEAERP Cc1cc(CN(C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)sn1 ZINC001442555654 1096918786 /nfs/dbraw/zinc/91/87/86/1096918786.db2.gz XZXNWHHBEVTVNP-HOCLYGCPSA-N 2 0 336.505 2.016 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001442821825 1097210217 /nfs/dbraw/zinc/21/02/17/1097210217.db2.gz PYIIYZPHGJWAGA-AEFFLSMTSA-N 2 0 333.520 2.489 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001443093450 1097507769 /nfs/dbraw/zinc/50/77/69/1097507769.db2.gz CIAPEFUPYJQEHA-INIZCTEOSA-N 2 0 339.430 2.342 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001443239739 1097707263 /nfs/dbraw/zinc/70/72/63/1097707263.db2.gz RNAWFLNNXRKKCK-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001443875653 1098401636 /nfs/dbraw/zinc/40/16/36/1098401636.db2.gz ZJOJBQJVUXTVFX-MOPGFXCFSA-N 2 0 344.503 2.379 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001444039261 1098560763 /nfs/dbraw/zinc/56/07/63/1098560763.db2.gz OIMDNPYVWNLAMM-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001479528213 1098595903 /nfs/dbraw/zinc/59/59/03/1098595903.db2.gz KNVOWPPFWDDUSH-FUHWJXTLSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001479794517 1099004768 /nfs/dbraw/zinc/00/47/68/1099004768.db2.gz MUGILIBGSYDPFK-CYBMUJFWSA-N 2 0 327.419 2.416 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCOC(C)C)CC2)[NH+](C)C ZINC001479986505 1099445701 /nfs/dbraw/zinc/44/57/01/1099445701.db2.gz LCOTXPNCMZSMNJ-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001480022560 1099501548 /nfs/dbraw/zinc/50/15/48/1099501548.db2.gz YOTLRRYCNAQWTQ-LSBZLQRGSA-N 2 0 347.478 2.193 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001444695531 1099549139 /nfs/dbraw/zinc/54/91/39/1099549139.db2.gz YFYVZGKUUZTVIX-ZBFHGGJFSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(NC[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001480060088 1099583924 /nfs/dbraw/zinc/58/39/24/1099583924.db2.gz KKFJWDJIAGQEAW-KRWDZBQOSA-N 2 0 347.890 2.420 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2coc(C3CC3)n2)[C@@H](C)C1 ZINC001444798024 1099715225 /nfs/dbraw/zinc/71/52/25/1099715225.db2.gz XQAIAOWVQRSCSP-YOEHRIQHSA-N 2 0 348.491 2.220 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001444887552 1099921515 /nfs/dbraw/zinc/92/15/15/1099921515.db2.gz KHINGJDFUGOTKS-HZPDHXFCSA-N 2 0 327.488 2.341 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001480318900 1100057439 /nfs/dbraw/zinc/05/74/39/1100057439.db2.gz GHELBZLOYJTSDA-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001445013486 1100161975 /nfs/dbraw/zinc/16/19/75/1100161975.db2.gz NEYBMZZKDUFDHD-UHFFFAOYSA-N 2 0 341.459 2.461 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)oc2C)C[C@@H]1C ZINC001446420565 1100832064 /nfs/dbraw/zinc/83/20/64/1100832064.db2.gz OQUORNZRYBXEHY-XJKSGUPXSA-N 2 0 336.480 2.102 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496296704 1100882659 /nfs/dbraw/zinc/88/26/59/1100882659.db2.gz RDSFLJDBHWUXQE-LSDHHAIUSA-N 2 0 331.451 2.104 10 0 EEAERP O=C(NC1(C[NH2+]Cc2ccc(F)cc2)CCCC1)C12CC[NH+](CC1)C2 ZINC001495202406 1100883226 /nfs/dbraw/zinc/88/32/26/1100883226.db2.gz FIYVIPAGIMPRDH-UHFFFAOYSA-N 2 0 345.462 2.440 10 0 EEAERP O=C(N[C@H](C[NH2+]CCCF)C1CCCCC1)C12CC[NH+](CC1)C2 ZINC001496326726 1100922463 /nfs/dbraw/zinc/92/24/63/1100922463.db2.gz OQDNDACFKIPKQK-MRXNPFEDSA-N 2 0 325.472 2.097 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@@](C)(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001446547834 1101014616 /nfs/dbraw/zinc/01/46/16/1101014616.db2.gz IZGNIHIKEHCRHL-AZUAARDMSA-N 2 0 329.488 2.417 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449680 1101041761 /nfs/dbraw/zinc/04/17/61/1101041761.db2.gz PEYSUXYDRAHTCR-WBVHZDCISA-N 2 0 335.467 2.494 10 0 EEAERP CC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC[NH+](C/C=C/Cl)CC1 ZINC001446630551 1101139481 /nfs/dbraw/zinc/13/94/81/1101139481.db2.gz UQWSINHJPDUZNY-BGGTUALNSA-N 2 0 339.911 2.299 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001496561399 1101162384 /nfs/dbraw/zinc/16/23/84/1101162384.db2.gz KMARCNFCVLJTOP-DOTOQJQBSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001496575328 1101174762 /nfs/dbraw/zinc/17/47/62/1101174762.db2.gz PPALGHQAQQVQAX-ZWKOTPCHSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](C/C=C\Cl)C2)CC[N@@H+]1C ZINC001446686333 1101244366 /nfs/dbraw/zinc/24/43/66/1101244366.db2.gz ROPFBTQVVCATJN-NXUVIRJOSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001446724153 1101294909 /nfs/dbraw/zinc/29/49/09/1101294909.db2.gz DUKCRSNSAOAGDQ-UONOGXRCSA-N 2 0 349.441 2.292 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001495665509 1101406411 /nfs/dbraw/zinc/40/64/11/1101406411.db2.gz KBIMZKVUNDWEGC-KUHUBIRLSA-N 2 0 347.478 2.318 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001496063834 1101999770 /nfs/dbraw/zinc/99/97/70/1101999770.db2.gz LPQAVSJROZEYTJ-RYQLBKOJSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497152331 1102037181 /nfs/dbraw/zinc/03/71/81/1102037181.db2.gz AXVPQBMSGVAOSR-BLLLJJGKSA-N 2 0 325.403 2.043 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001497192534 1102103876 /nfs/dbraw/zinc/10/38/76/1102103876.db2.gz FVHOQHFSJDXAJA-RYQLBKOJSA-N 2 0 332.492 2.105 10 0 EEAERP CCC[N@@H+]1CCc2c(CNC(=O)C[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001447158620 1102107351 /nfs/dbraw/zinc/10/73/51/1102107351.db2.gz NDOBDZGSCPYGPG-INIZCTEOSA-N 2 0 329.488 2.413 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204164 1102123140 /nfs/dbraw/zinc/12/31/40/1102123140.db2.gz BKWBFNRVIUNGBG-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CC[NH2+]CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497323978 1102326145 /nfs/dbraw/zinc/32/61/45/1102326145.db2.gz RNPLCSFDRNHUJU-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C2CCC2)sn1 ZINC001447336131 1102470364 /nfs/dbraw/zinc/47/03/64/1102470364.db2.gz JOWPRHJRUAVTCT-UHFFFAOYSA-N 2 0 338.521 2.216 10 0 EEAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497453289 1102511738 /nfs/dbraw/zinc/51/17/38/1102511738.db2.gz ADQRTMRLTPNRAR-IOBAAEILSA-N 2 0 333.879 2.390 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCF)C2)C1)[NH+](CC)CC ZINC001447439263 1102657841 /nfs/dbraw/zinc/65/78/41/1102657841.db2.gz NAAYWQKDMURJRN-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001497766695 1103064497 /nfs/dbraw/zinc/06/44/97/1103064497.db2.gz VVLORYHFTSFYOC-SHCNBLLESA-N 2 0 333.451 2.415 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447915966 1103589344 /nfs/dbraw/zinc/58/93/44/1103589344.db2.gz XNZLWCJHTVAJLW-LSDHHAIUSA-N 2 0 333.476 2.041 10 0 EEAERP COCCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001494205631 1103695761 /nfs/dbraw/zinc/69/57/61/1103695761.db2.gz FWIOBUHPGHXBPP-UHFFFAOYSA-N 2 0 341.540 2.171 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1)[NH+](C)C ZINC001494761622 1104345265 /nfs/dbraw/zinc/34/52/65/1104345265.db2.gz SQLXHSMIPKFUBA-RBSFLKMASA-N 2 0 331.451 2.343 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001497993642 1106751400 /nfs/dbraw/zinc/75/14/00/1106751400.db2.gz RPHQPYDHNBTMQK-CXAGYDPISA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498042969 1106824375 /nfs/dbraw/zinc/82/43/75/1106824375.db2.gz AJFIROGSENUVBL-AWEZNQCLSA-N 2 0 336.455 2.080 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053239 1106846932 /nfs/dbraw/zinc/84/69/32/1106846932.db2.gz JIIIHZUYVQIESW-KSSFIOAISA-N 2 0 348.491 2.238 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001498152471 1106991910 /nfs/dbraw/zinc/99/19/10/1106991910.db2.gz BBMOGCZMTJGSEI-BLLLJJGKSA-N 2 0 339.430 2.388 10 0 EEAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001480737048 1107009830 /nfs/dbraw/zinc/00/98/30/1107009830.db2.gz LKYNBMRDNWASTE-GOSISDBHSA-N 2 0 349.523 2.171 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001480824799 1107197178 /nfs/dbraw/zinc/19/71/78/1107197178.db2.gz XSMMEZYORDFALQ-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CCC1CCOCC1 ZINC001493063194 1107423081 /nfs/dbraw/zinc/42/30/81/1107423081.db2.gz NMHHEKSROJXOMZ-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)oc1C ZINC001498488697 1107623102 /nfs/dbraw/zinc/62/31/02/1107623102.db2.gz JIXCQURPYQECHR-HZPDHXFCSA-N 2 0 336.480 2.008 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C\Cl)C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001498848581 1108218380 /nfs/dbraw/zinc/21/83/80/1108218380.db2.gz FJENRQIBWHKYQG-YNPNBLQXSA-N 2 0 339.911 2.345 10 0 EEAERP CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCCCF ZINC001498901722 1108301002 /nfs/dbraw/zinc/30/10/02/1108301002.db2.gz HLKRHLLOAPTNQF-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493582507 1108353544 /nfs/dbraw/zinc/35/35/44/1108353544.db2.gz CMWSYQXRTXSOJA-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(F)c1 ZINC001493612421 1108403278 /nfs/dbraw/zinc/40/32/78/1108403278.db2.gz CSONLBPEMGUKSS-GOSISDBHSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001493869537 1108762813 /nfs/dbraw/zinc/76/28/13/1108762813.db2.gz CPOSLKLAMFLTDG-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001472114770 1110543801 /nfs/dbraw/zinc/54/38/01/1110543801.db2.gz GEDZTGOVROORJD-IEBWSBKVSA-N 2 0 344.503 2.060 10 0 EEAERP CC1CCC(C[NH+]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001472959451 1110568384 /nfs/dbraw/zinc/56/83/84/1110568384.db2.gz QEOSNHHKZNUBTO-FAFZWHIHSA-N 2 0 333.520 2.299 10 0 EEAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001473702640 1110579097 /nfs/dbraw/zinc/57/90/97/1110579097.db2.gz LSVQAKHLFOJYQF-RTBURBONSA-N 2 0 340.508 2.005 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@]12CCOC2)c1ccccc1 ZINC001473895295 1110584663 /nfs/dbraw/zinc/58/46/63/1110584663.db2.gz GFPJRVQHDVKORG-QUCCMNQESA-N 2 0 345.487 2.051 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001479321840 1110681164 /nfs/dbraw/zinc/68/11/64/1110681164.db2.gz OLHDAISPUDQPGH-JKIFEVAISA-N 2 0 331.451 2.043 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001479417094 1110694330 /nfs/dbraw/zinc/69/43/30/1110694330.db2.gz QSHIFIYYBZQEMN-LTBQPASTSA-N 2 0 348.491 2.094 10 0 EEAERP CC(C)OCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499986515 1112566972 /nfs/dbraw/zinc/56/69/72/1112566972.db2.gz MLNOPCLXVGWGEW-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1cncs1 ZINC001501403434 1113346473 /nfs/dbraw/zinc/34/64/73/1113346473.db2.gz ITEHRCYOXIYGFA-CVEARBPZSA-N 2 0 336.505 2.050 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC001501676140 1113428715 /nfs/dbraw/zinc/42/87/15/1113428715.db2.gz GYVMWQUJRIXIJI-VQIMIIECSA-N 2 0 347.503 2.209 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](Cc1conc1CC)CC2 ZINC001501746331 1113460439 /nfs/dbraw/zinc/46/04/39/1113460439.db2.gz FMXFSDSENCPYPP-UHFFFAOYSA-N 2 0 348.491 2.003 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001501749397 1113461432 /nfs/dbraw/zinc/46/14/32/1113461432.db2.gz VBXRVENTQLAECP-UHFFFAOYSA-N 2 0 329.488 2.451 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CCC1)[NH+](C)C ZINC001502017412 1113560816 /nfs/dbraw/zinc/56/08/16/1113560816.db2.gz JCBVYBOAMKWWDW-CQSZACIVSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001502081718 1113580653 /nfs/dbraw/zinc/58/06/53/1113580653.db2.gz WJTKEVUPUAYZJE-LJQANCHMSA-N 2 0 345.487 2.145 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001502795542 1113802769 /nfs/dbraw/zinc/80/27/69/1113802769.db2.gz PICOWTBGEZEWHV-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)c(C)n1 ZINC001502967897 1113865012 /nfs/dbraw/zinc/86/50/12/1113865012.db2.gz KKDOERGIXJANHN-MAUKXSAKSA-N 2 0 332.492 2.119 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(CO)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001505391443 1113929425 /nfs/dbraw/zinc/92/94/25/1113929425.db2.gz XFNXMLDVEKZCQP-QGZVFWFLSA-N 2 0 347.503 2.033 10 0 EEAERP C[C@@H](F)CC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001505784253 1114190430 /nfs/dbraw/zinc/19/04/30/1114190430.db2.gz FLMZKJOCIFPVNU-QQFBHYJXSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](F)CC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001505784252 1114190540 /nfs/dbraw/zinc/19/05/40/1114190540.db2.gz FLMZKJOCIFPVNU-FHERZECASA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCCCF ZINC001505944408 1114293366 /nfs/dbraw/zinc/29/33/66/1114293366.db2.gz VAHXRJNUFMTDCS-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001505988394 1114323881 /nfs/dbraw/zinc/32/38/81/1114323881.db2.gz KQBAWXYDJUIXPX-UONOGXRCSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCc1ccccc1Cl ZINC001506056436 1114381574 /nfs/dbraw/zinc/38/15/74/1114381574.db2.gz HAIRBUOETRNXED-GOEBONIOSA-N 2 0 337.895 2.271 10 0 EEAERP CCCC[NH2+]CCCOC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001506494898 1114649044 /nfs/dbraw/zinc/64/90/44/1114649044.db2.gz SMVAXUOWWVSEOB-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506723428 1114833696 /nfs/dbraw/zinc/83/36/96/1114833696.db2.gz JVWUGHPLFWUQAW-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CCC[N@H+](CC2CCCC2)C3)CC1 ZINC001506864201 1114931913 /nfs/dbraw/zinc/93/19/13/1114931913.db2.gz BVKMHQHRQFOPQC-UHFFFAOYSA-N 2 0 333.520 2.443 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C/C=C/Cl)C[C@]2(C)C1 ZINC001506870451 1114941417 /nfs/dbraw/zinc/94/14/17/1114941417.db2.gz OWCHSENDVRQNAY-BORUEMGLSA-N 2 0 327.900 2.250 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001506938649 1114988532 /nfs/dbraw/zinc/98/85/32/1114988532.db2.gz UVSLFBGXWWCAHZ-UONOGXRCSA-N 2 0 338.521 2.168 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC001507082436 1115099031 /nfs/dbraw/zinc/09/90/31/1115099031.db2.gz IREJEQCFPSXEEJ-FUHWJXTLSA-N 2 0 349.523 2.275 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C2CC2)no1 ZINC001507085409 1115100340 /nfs/dbraw/zinc/10/03/40/1115100340.db2.gz MSKPVIJOUGIYAM-HOCLYGCPSA-N 2 0 348.491 2.363 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507339212 1115202910 /nfs/dbraw/zinc/20/29/10/1115202910.db2.gz MMGNBDSPRLVKPM-LPHOPBHVSA-N 2 0 347.503 2.366 10 0 EEAERP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCF)[C@@H]3C2)CC1 ZINC001507363895 1115224130 /nfs/dbraw/zinc/22/41/30/1115224130.db2.gz NJBMYNMRNGHVBD-KSZLIROESA-N 2 0 339.499 2.295 10 0 EEAERP CC(C)[NH2+][C@@H](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC001507390257 1115247259 /nfs/dbraw/zinc/24/72/59/1115247259.db2.gz UBMNQEGXOGHGER-IBGZPJMESA-N 2 0 331.504 2.444 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001507453386 1115278859 /nfs/dbraw/zinc/27/88/59/1115278859.db2.gz HGKPHQVEWCCIFM-CQSZACIVSA-N 2 0 331.451 2.199 10 0 EEAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2cccnc2)CC1 ZINC001508230626 1115455393 /nfs/dbraw/zinc/45/53/93/1115455393.db2.gz UPVNQDZGYMBUAI-UHFFFAOYSA-N 2 0 330.476 2.062 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001568027626 1124237216 /nfs/dbraw/zinc/23/72/16/1124237216.db2.gz FLHJWDUAYANONK-WFASDCNBSA-N 2 0 335.414 2.155 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001568096563 1124299477 /nfs/dbraw/zinc/29/94/77/1124299477.db2.gz BCJICMYIVLEXOC-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001568343515 1124427748 /nfs/dbraw/zinc/42/77/48/1124427748.db2.gz KISALSMURRAGFG-KBAYOESNSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001568401409 1124471240 /nfs/dbraw/zinc/47/12/40/1124471240.db2.gz URPVYTMJNFBNHB-LJQANCHMSA-N 2 0 344.503 2.347 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671639 1124685121 /nfs/dbraw/zinc/68/51/21/1124685121.db2.gz VTCPEWOZCHTHCI-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568677787 1124689537 /nfs/dbraw/zinc/68/95/37/1124689537.db2.gz GQZGSGOLHQRMAZ-LBPRGKRZSA-N 2 0 325.419 2.401 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568749194 1124763007 /nfs/dbraw/zinc/76/30/07/1124763007.db2.gz FMDRIKVTDODEPC-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1OC(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568797636 1124812424 /nfs/dbraw/zinc/81/24/24/1124812424.db2.gz JPHQUEJLFPSPLF-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP COc1cc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001568919852 1124947991 /nfs/dbraw/zinc/94/79/91/1124947991.db2.gz JWBGGDSNSIJRLK-AWFCHZOYSA-N 2 0 345.487 2.107 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001569012071 1125040626 /nfs/dbraw/zinc/04/06/26/1125040626.db2.gz LLMLVYCOTWVJIN-HHXXYDBFSA-N 2 0 329.488 2.295 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001569189226 1125153826 /nfs/dbraw/zinc/15/38/26/1125153826.db2.gz XAVIJRVFSHSYPK-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001569213723 1125170035 /nfs/dbraw/zinc/17/00/35/1125170035.db2.gz JXKDWQXJYWHSBI-GOEBONIOSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001569239417 1125187150 /nfs/dbraw/zinc/18/71/50/1125187150.db2.gz BOLCTEBTEIGZQW-QGZVFWFLSA-N 2 0 343.515 2.455 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)c1cnccn1 ZINC001569246752 1125192641 /nfs/dbraw/zinc/19/26/41/1125192641.db2.gz OITYYCWWNQOVRU-IAGOWNOFSA-N 2 0 347.507 2.240 10 0 EEAERP CN(CC[NH+]1CCCC1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000063050848 214740808 /nfs/dbraw/zinc/74/08/08/214740808.db2.gz IVABRLCADOFKGG-OAHLLOKOSA-N 2 0 326.282 2.477 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@@H]21 ZINC000415952069 530058480 /nfs/dbraw/zinc/05/84/80/530058480.db2.gz GXEHEWMPDVWUPA-PBHICJAKSA-N 2 0 346.450 2.419 10 0 EEAERP C[C@H](CCN1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000245670993 539665239 /nfs/dbraw/zinc/66/52/39/539665239.db2.gz DBINVMKUOSFRSE-HSALFYBXSA-N 2 0 334.552 2.105 10 0 EEAERP COc1cc2c(cc1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1)O[C@H](C)C2 ZINC000069347316 215380820 /nfs/dbraw/zinc/38/08/20/215380820.db2.gz JBEFSLHPOKZKMT-HUUCEWRRSA-N 2 0 348.487 2.201 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000248656444 283046525 /nfs/dbraw/zinc/04/65/25/283046525.db2.gz DBXJBPUFKXCTAW-RTBURBONSA-N 2 0 327.472 2.422 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423072227 240351353 /nfs/dbraw/zinc/35/13/53/240351353.db2.gz PLTRYKUEKVVYJH-MCIONIFRSA-N 2 0 337.489 2.373 10 0 EEAERP CCOc1cc(CC[NH3+])cc(Br)c1OCC[NH+](C)C ZINC000037719884 213163279 /nfs/dbraw/zinc/16/32/79/213163279.db2.gz MXRLMCCWCRXFBW-UHFFFAOYSA-N 2 0 331.254 2.289 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422895113 240279215 /nfs/dbraw/zinc/27/92/15/240279215.db2.gz DYWCOAIUJHJCHJ-NHCUHLMSSA-N 2 0 343.515 2.316 10 0 EEAERP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995876 240322366 /nfs/dbraw/zinc/32/23/66/240322366.db2.gz ZRLRZBJEAYNHTL-INWMFGNUSA-N 2 0 330.394 2.444 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000246733929 243303631 /nfs/dbraw/zinc/30/36/31/243303631.db2.gz VWFUPEQGJIGAOM-XWTMOSNGSA-N 2 0 347.507 2.424 10 0 EEAERP C[N@@H+]1CCCN(CC[NH2+]Cc2cc(Br)cs2)CC1 ZINC000049591401 214021736 /nfs/dbraw/zinc/02/17/36/214021736.db2.gz BMCXBHXVOOJEBS-UHFFFAOYSA-N 2 0 332.311 2.238 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854693 256243729 /nfs/dbraw/zinc/24/37/29/256243729.db2.gz TVAWWTTVEFONCP-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328630165 258029194 /nfs/dbraw/zinc/02/91/94/258029194.db2.gz JCJCGZMPAFQBCM-JKSUJKDBSA-N 2 0 333.501 2.361 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000128072947 292335677 /nfs/dbraw/zinc/33/56/77/292335677.db2.gz YCCWZQLGILMMSU-YTQUADARSA-N 2 0 344.503 2.433 10 0 EEAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C2)[nH+]1 ZINC000249890609 160387406 /nfs/dbraw/zinc/38/74/06/160387406.db2.gz QLPCLEYNLUZXPB-NVXWUHKLSA-N 2 0 330.476 2.382 10 0 EEAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441824 160392565 /nfs/dbraw/zinc/39/25/65/160392565.db2.gz AWAACQPUAQMKBU-OALUTQOASA-N 2 0 342.487 2.313 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000130753226 292378184 /nfs/dbraw/zinc/37/81/84/292378184.db2.gz LRPUNIBLFOKYNJ-ROUUACIJSA-N 2 0 338.540 2.480 10 0 EEAERP CCC[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+](C)C ZINC000094062849 159243165 /nfs/dbraw/zinc/24/31/65/159243165.db2.gz VVSBCZGBUQHVIN-INIZCTEOSA-N 2 0 334.464 2.246 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194670932 160198243 /nfs/dbraw/zinc/19/82/43/160198243.db2.gz AYCMGFOSZFDNCY-GOSISDBHSA-N 2 0 344.503 2.039 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246779319 160293912 /nfs/dbraw/zinc/29/39/12/160293912.db2.gz CIYCWZNLLYUTMM-NZSAHSFTSA-N 2 0 329.488 2.496 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000246834819 160296389 /nfs/dbraw/zinc/29/63/89/160296389.db2.gz DXHSCWZUVLJBGJ-VQIMIIECSA-N 2 0 344.503 2.073 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000364243177 165066950 /nfs/dbraw/zinc/06/69/50/165066950.db2.gz DDKWNHAXNCUTOK-INIZCTEOSA-N 2 0 347.463 2.008 10 0 EEAERP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274908599 269073440 /nfs/dbraw/zinc/07/34/40/269073440.db2.gz MOSJNUYQCQCKIE-JBACZVJFSA-N 2 0 345.531 2.333 10 0 EEAERP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000275602579 269129267 /nfs/dbraw/zinc/12/92/67/269129267.db2.gz QNPYLWDXLRHDLA-QFBILLFUSA-N 2 0 337.427 2.473 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179146838 274002894 /nfs/dbraw/zinc/00/28/94/274002894.db2.gz NTJRNJRESSAMFS-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297371003 294225768 /nfs/dbraw/zinc/22/57/68/294225768.db2.gz DLWDLMQIWCFSQN-UHFFFAOYSA-N 2 0 327.432 2.150 10 0 EEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](C)C1 ZINC000333670352 312180770 /nfs/dbraw/zinc/18/07/70/312180770.db2.gz YEXYCZMPOXTWGC-KEBWOPOESA-N 2 0 348.535 2.168 10 0 EEAERP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000414878953 313105924 /nfs/dbraw/zinc/10/59/24/313105924.db2.gz OBSUVHBNWMYXQG-AWEZNQCLSA-N 2 0 346.475 2.026 10 0 EEAERP CC(C)(CNC(=O)NCCC[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC000416824017 313326397 /nfs/dbraw/zinc/32/63/97/313326397.db2.gz HURKQPFYVLRRDO-UHFFFAOYSA-N 2 0 347.507 2.125 10 0 EEAERP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C[NH3+] ZINC000416872980 313343229 /nfs/dbraw/zinc/34/32/29/313343229.db2.gz MSGCJOQQWSLMLK-VQIMIIECSA-N 2 0 344.503 2.409 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000416885681 313348965 /nfs/dbraw/zinc/34/89/65/313348965.db2.gz FQXVQROKVYTEOT-MAUKXSAKSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+][C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000416910249 313357562 /nfs/dbraw/zinc/35/75/62/313357562.db2.gz ZCMHHVGKUXFLNN-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000417014916 313395335 /nfs/dbraw/zinc/39/53/35/313395335.db2.gz LOLOKJCCGSCCJD-CALCHBBNSA-N 2 0 336.524 2.282 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000417424834 313511195 /nfs/dbraw/zinc/51/11/95/313511195.db2.gz WISJJTAYXNBYOK-BPUTZDHNSA-N 2 0 334.464 2.022 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccco1 ZINC000418173566 313735227 /nfs/dbraw/zinc/73/52/27/313735227.db2.gz YOQATUYSIVLLSK-YHUYYLMFSA-N 2 0 334.464 2.102 10 0 EEAERP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000516050781 316529669 /nfs/dbraw/zinc/52/96/69/316529669.db2.gz ZWBKBZJUNHLLFG-SFHVURJKSA-N 2 0 339.395 2.066 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000527896692 317283193 /nfs/dbraw/zinc/28/31/93/317283193.db2.gz SPVAPKDQVHYBGQ-NXYGQSRBSA-N 2 0 334.508 2.319 10 0 EEAERP COc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1OC ZINC000530247576 317704390 /nfs/dbraw/zinc/70/43/90/317704390.db2.gz ATTOEIDQUUJYOC-QGZVFWFLSA-N 2 0 334.460 2.294 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000563559244 319023459 /nfs/dbraw/zinc/02/34/59/319023459.db2.gz OLIBHNLETLIBEU-YJBOKZPZSA-N 2 0 330.476 2.080 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cncnc3C)cn2)CC1 ZINC000578142513 320297318 /nfs/dbraw/zinc/29/73/18/320297318.db2.gz MYUBFIZBECRHSU-HNNXBMFYSA-N 2 0 340.475 2.173 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000581019745 324170809 /nfs/dbraw/zinc/17/08/09/324170809.db2.gz CNTMOZFUQPVKQT-KRWDZBQOSA-N 2 0 329.488 2.451 10 0 EEAERP CCn1c2ccc(F)cc2nc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000581492002 324265467 /nfs/dbraw/zinc/26/54/67/324265467.db2.gz QBXULCZYTFVLFP-AWEZNQCLSA-N 2 0 346.450 2.383 10 0 EEAERP CCCC[C@@H](C[NH3+])NC(=O)NCCNc1cc(C)nc(C(C)C)n1 ZINC000627080322 451114368 /nfs/dbraw/zinc/11/43/68/451114368.db2.gz PJQVIDSYRSJCID-AWEZNQCLSA-N 2 0 336.484 2.137 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000355223681 465235165 /nfs/dbraw/zinc/23/51/65/465235165.db2.gz LIUXYSCTWQZKJF-LXPRWKDFSA-N 2 0 334.508 2.273 10 0 EEAERP COc1ccccc1[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298481857 465407019 /nfs/dbraw/zinc/40/70/19/465407019.db2.gz PMUKTNPUPINYCY-GOSISDBHSA-N 2 0 327.428 2.382 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000089768486 462717116 /nfs/dbraw/zinc/71/71/16/462717116.db2.gz WQOORACJPBOINL-UHFFFAOYSA-N 2 0 345.256 2.382 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000077793504 463049239 /nfs/dbraw/zinc/04/92/39/463049239.db2.gz VMUORHHPWUAZJG-UKRRQHHQSA-N 2 0 326.510 2.380 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000157230046 463110304 /nfs/dbraw/zinc/11/03/04/463110304.db2.gz REEYNPVJCJSDHB-QAPCUYQASA-N 2 0 332.492 2.276 10 0 EEAERP C[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)[NH+]1CCCCCC1 ZINC000122032826 463232761 /nfs/dbraw/zinc/23/27/61/463232761.db2.gz RKXVCRKKRVEVMH-INIZCTEOSA-N 2 0 332.492 2.466 10 0 EEAERP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876044 463484999 /nfs/dbraw/zinc/48/49/99/463484999.db2.gz GWFOSDDRFXZSRJ-INIZCTEOSA-N 2 0 332.492 2.466 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000107886962 463585751 /nfs/dbraw/zinc/58/57/51/463585751.db2.gz MFNYNXCEWJYCOS-RTBURBONSA-N 2 0 329.488 2.357 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000170831963 463717288 /nfs/dbraw/zinc/71/72/88/463717288.db2.gz CPMADKRYNGKOOJ-SFHVURJKSA-N 2 0 348.466 2.136 10 0 EEAERP COC1(C[C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CCC1 ZINC000276999065 463835662 /nfs/dbraw/zinc/83/56/62/463835662.db2.gz ACWLWKRRNAZAMT-INIZCTEOSA-N 2 0 347.503 2.415 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185599328 463848164 /nfs/dbraw/zinc/84/81/64/463848164.db2.gz FACFQGBYNRRFSA-IYBDPMFKSA-N 2 0 326.529 2.336 10 0 EEAERP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)nc21 ZINC000261875726 463884923 /nfs/dbraw/zinc/88/49/23/463884923.db2.gz DPZGVVXWCZXSKJ-XHSDSOJGSA-N 2 0 329.444 2.425 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000194661055 463903928 /nfs/dbraw/zinc/90/39/28/463903928.db2.gz ARTDBWWULVEWQZ-IAGOWNOFSA-N 2 0 336.524 2.234 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000261974310 463914848 /nfs/dbraw/zinc/91/48/48/463914848.db2.gz LSRXBJNQEGSATI-MSOLQXFVSA-N 2 0 329.488 2.484 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000171899989 463944993 /nfs/dbraw/zinc/94/49/93/463944993.db2.gz YXZFEWGTVCVZSG-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP CC1(C)CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000262168283 463962663 /nfs/dbraw/zinc/96/26/63/463962663.db2.gz YJAUNUCHFIRFJZ-SFHVURJKSA-N 2 0 329.488 2.484 10 0 EEAERP [NH3+]CC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000262228396 463977521 /nfs/dbraw/zinc/97/75/21/463977521.db2.gz NNKAEQCCSCTEJZ-UHFFFAOYSA-N 2 0 345.487 2.044 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000172235566 464024339 /nfs/dbraw/zinc/02/43/39/464024339.db2.gz OORVJDRIRNIRFW-KFWWJZLASA-N 2 0 336.505 2.229 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000568812473 468389658 /nfs/dbraw/zinc/38/96/58/468389658.db2.gz QEJRFIJUMUJNSP-JQHSSLGASA-N 2 0 332.492 2.460 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)([NH+](C)C)C1 ZINC000174230146 464380434 /nfs/dbraw/zinc/38/04/34/464380434.db2.gz DJFBTMCMQZCFQN-AOIWGVFYSA-N 2 0 334.508 2.153 10 0 EEAERP C[C@H](O)CCC[NH+]1CCCC2(CCC[N@@H+](CCC[C@H](C)O)C2)C1 ZINC000352027948 465470481 /nfs/dbraw/zinc/47/04/81/465470481.db2.gz NPSCTUVUYMPHHM-ADUPEVMXSA-N 2 0 326.525 2.486 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246489945 464591157 /nfs/dbraw/zinc/59/11/57/464591157.db2.gz RQGJJWCWCOTGAT-TVFCKZIOSA-N 2 0 338.540 2.479 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175943599 464664483 /nfs/dbraw/zinc/66/44/83/464664483.db2.gz JBSFFVWYFGIALB-FHWLQOOXSA-N 2 0 346.519 2.331 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000266875700 464854946 /nfs/dbraw/zinc/85/49/46/464854946.db2.gz SWIDQTRESVEUFF-GDBMZVCRSA-N 2 0 347.459 2.406 10 0 EEAERP CCC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231221 464890765 /nfs/dbraw/zinc/89/07/65/464890765.db2.gz RVBSRXJDOGOTKZ-MOPGFXCFSA-N 2 0 347.503 2.124 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCOc3ccccc32)[C@H](C)C1 ZINC000348316745 465546323 /nfs/dbraw/zinc/54/63/23/465546323.db2.gz GTZRIEJYHYMFJT-SJORKVTESA-N 2 0 345.487 2.464 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000569147661 468448069 /nfs/dbraw/zinc/44/80/69/468448069.db2.gz RAEMBUXBBHWUES-UHFFFAOYSA-N 2 0 341.459 2.137 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000362469888 465765126 /nfs/dbraw/zinc/76/51/26/465765126.db2.gz DATKAAFXRSXZEA-MHORFTMASA-N 2 0 336.524 2.375 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@@H]1SC ZINC000597176671 468471905 /nfs/dbraw/zinc/47/19/05/468471905.db2.gz KHQFIMOXDAEUPB-KURKYZTESA-N 2 0 342.549 2.376 10 0 EEAERP C[C@@H]1CN(Cc2ccc(C(=O)NCCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000353831012 466181170 /nfs/dbraw/zinc/18/11/70/466181170.db2.gz WLCGSIOLUWZPCS-CALCHBBNSA-N 2 0 347.503 2.367 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000358187959 466526334 /nfs/dbraw/zinc/52/63/34/466526334.db2.gz KVASCCKPKRGFOM-UHFFFAOYSA-N 2 0 336.524 2.450 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423406342 466741843 /nfs/dbraw/zinc/74/18/43/466741843.db2.gz URISQXWHHSCAGR-OLMNPRSZSA-N 2 0 329.448 2.006 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417032976 466759876 /nfs/dbraw/zinc/75/98/76/466759876.db2.gz FELUSQILUOUDKT-HKUYNNGSSA-N 2 0 336.524 2.284 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417200919 466800036 /nfs/dbraw/zinc/80/00/36/466800036.db2.gz VDXHCKZEIHVXNE-MOPGFXCFSA-N 2 0 346.519 2.366 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)CC3(C[NH3+])CC3)CC[N@@H+]2C2CC2)c1 ZINC000423811570 466849265 /nfs/dbraw/zinc/84/92/65/466849265.db2.gz CAVQQJQBVDIDAT-IEBWSBKVSA-N 2 0 343.471 2.218 10 0 EEAERP [NH3+]CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000417579624 466887364 /nfs/dbraw/zinc/88/73/64/466887364.db2.gz QAEMLGOVMFZIEA-INIZCTEOSA-N 2 0 338.883 2.343 10 0 EEAERP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000417739578 466921830 /nfs/dbraw/zinc/92/18/30/466921830.db2.gz QEEVXICSYFHBQO-SQWLQELKSA-N 2 0 336.505 2.134 10 0 EEAERP C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000425727670 467127589 /nfs/dbraw/zinc/12/75/89/467127589.db2.gz RKNKIWWBJQOOJY-MANSERQUSA-N 2 0 342.487 2.167 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418555776 467128151 /nfs/dbraw/zinc/12/81/51/467128151.db2.gz DUIWSUUGWOGYSM-VQIMIIECSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000418595047 467133856 /nfs/dbraw/zinc/13/38/56/467133856.db2.gz NUWCYBASPWFZFK-XDNAFOTISA-N 2 0 336.524 2.280 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000418671450 467143947 /nfs/dbraw/zinc/14/39/47/467143947.db2.gz LOZFBZXXSLRAEB-FGTMMUONSA-N 2 0 330.476 2.108 10 0 EEAERP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418757328 467155867 /nfs/dbraw/zinc/15/58/67/467155867.db2.gz YWWCFPMPVIAUKD-OAHLLOKOSA-N 2 0 346.466 2.281 10 0 EEAERP Cc1cc2c(ncnc2N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000420364597 467379561 /nfs/dbraw/zinc/37/95/61/467379561.db2.gz DBRLCVWJZCLVOM-AWEZNQCLSA-N 2 0 331.489 2.121 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000414296894 467399161 /nfs/dbraw/zinc/39/91/61/467399161.db2.gz FSHYEZOIYKPKBA-HKUYNNGSSA-N 2 0 332.488 2.418 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000414309971 467400614 /nfs/dbraw/zinc/40/06/14/467400614.db2.gz SIOYOPHEJYRERT-KRWDZBQOSA-N 2 0 332.488 2.418 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969587 467404443 /nfs/dbraw/zinc/40/44/43/467404443.db2.gz ZFJZPICEHHDUGF-OXQOHEQNSA-N 2 0 337.467 2.438 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1)[C@@H]1CCC[NH2+]1 ZINC000390055574 467405122 /nfs/dbraw/zinc/40/51/22/467405122.db2.gz OAHQKVHOBVNJJE-KKUMJFAQSA-N 2 0 329.435 2.002 10 0 EEAERP C[NH+](C)Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000392436708 467426259 /nfs/dbraw/zinc/42/62/59/467426259.db2.gz OWRUFAGWUMMRMH-FRQCXROJSA-N 2 0 331.460 2.219 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414929287 467452378 /nfs/dbraw/zinc/45/23/78/467452378.db2.gz NRXQKKUUCQWREG-DVOMOZLQSA-N 2 0 335.448 2.009 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453126472 467462429 /nfs/dbraw/zinc/46/24/29/467462429.db2.gz PAYLYORYNJBFGN-OAHLLOKOSA-N 2 0 328.460 2.194 10 0 EEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000404427883 467474655 /nfs/dbraw/zinc/47/46/55/467474655.db2.gz MWDDNBOPBQCAMV-LJCCNALRSA-N 2 0 329.488 2.496 10 0 EEAERP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)CCN2)cc1 ZINC000415056279 467477686 /nfs/dbraw/zinc/47/76/86/467477686.db2.gz PRFQPDCMUZMZDS-MAHYXTOZSA-N 3 0 342.531 2.286 10 0 EEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000415104906 467490620 /nfs/dbraw/zinc/49/06/20/467490620.db2.gz LTWSIJYNRBOHHR-QGPMSJSTSA-N 2 0 335.467 2.370 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C2CCOCC2)CC1 ZINC000449156016 467621185 /nfs/dbraw/zinc/62/11/85/467621185.db2.gz REDZHAXJTSTSGZ-LAUBAEHRSA-N 2 0 346.515 2.459 10 0 EEAERP CN1CC[NH+](CC2CC[NH+](Cc3cc4cccnc4o3)CC2)CC1 ZINC000449324182 467630920 /nfs/dbraw/zinc/63/09/20/467630920.db2.gz DBNZEHMQVSJUQC-UHFFFAOYSA-N 2 0 328.460 2.287 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000450396279 467842851 /nfs/dbraw/zinc/84/28/51/467842851.db2.gz VKIDWMCWHUEVOS-VQTJNVASSA-N 2 0 336.568 2.351 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529307762 467843697 /nfs/dbraw/zinc/84/36/97/467843697.db2.gz RMNKITMQUDCYRM-HZPDHXFCSA-N 2 0 336.524 2.471 10 0 EEAERP CC(C)[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000516156615 468015625 /nfs/dbraw/zinc/01/56/25/468015625.db2.gz TWNNSBVIWPAYHO-DAYGRLMNSA-N 2 0 344.459 2.084 10 0 EEAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000517060908 468068768 /nfs/dbraw/zinc/06/87/68/468068768.db2.gz PMQMGOKDRRLUQA-OCCSQVGLSA-N 2 0 328.416 2.283 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1I ZINC000600711720 468628919 /nfs/dbraw/zinc/62/89/19/468628919.db2.gz RPZHSUJBVGRJOI-NSHDSACASA-N 2 0 348.228 2.178 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000592426333 468696095 /nfs/dbraw/zinc/69/60/95/468696095.db2.gz WHMGWYWKFJGYCO-AEFFLSMTSA-N 2 0 332.444 2.202 10 0 EEAERP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000595075291 468752751 /nfs/dbraw/zinc/75/27/51/468752751.db2.gz YDSNRFXINFHLIC-ACBHZAAOSA-N 2 0 346.471 2.075 10 0 EEAERP CN1C[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1=O ZINC000571442237 468790239 /nfs/dbraw/zinc/79/02/39/468790239.db2.gz XXOKWORUFZUAOJ-ROUUACIJSA-N 2 0 327.472 2.394 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000560515479 468823676 /nfs/dbraw/zinc/82/36/76/468823676.db2.gz UNIVMEURLFOFPS-YESZJQIVSA-N 2 0 337.489 2.021 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccc(F)cc1C ZINC000563127643 469177315 /nfs/dbraw/zinc/17/73/15/469177315.db2.gz ZESUGPSGPZTFKY-HFTRVMKXSA-N 2 0 335.467 2.111 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)o1 ZINC000615265553 469196075 /nfs/dbraw/zinc/19/60/75/469196075.db2.gz OZYBQSILRBRZQL-DLBZAZTESA-N 2 0 349.475 2.057 10 0 EEAERP COC(=O)C1C[C@H](C)[NH+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000599698038 469342059 /nfs/dbraw/zinc/34/20/59/469342059.db2.gz ULKCCZFYNIZCOK-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000618554606 469386861 /nfs/dbraw/zinc/38/68/61/469386861.db2.gz QSCPACQAVHGHHC-QZTJIDSGSA-N 2 0 330.476 2.217 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000629399837 469531626 /nfs/dbraw/zinc/53/16/26/469531626.db2.gz XANNDIARBZNEGX-OAHLLOKOSA-N 2 0 327.266 2.261 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612967022 469593666 /nfs/dbraw/zinc/59/36/66/469593666.db2.gz WIIQKEGYBHACQR-KRWDZBQOSA-N 2 0 348.466 2.041 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623356981 469633523 /nfs/dbraw/zinc/63/35/23/469633523.db2.gz RVGOYHLOQPEBKV-UHFFFAOYSA-N 2 0 347.503 2.354 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC1(C)C ZINC000623507138 469678394 /nfs/dbraw/zinc/67/83/94/469678394.db2.gz ZWJXHMMPWAFCTI-OAHLLOKOSA-N 2 0 345.553 2.042 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000626924904 469756688 /nfs/dbraw/zinc/75/66/88/469756688.db2.gz FZCZOJOEHAVEAD-YJBOKZPZSA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000626941895 469763609 /nfs/dbraw/zinc/76/36/09/469763609.db2.gz GQOGFOGRWFRULQ-RDTXWAMCSA-N 2 0 348.466 2.230 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000626949453 469766548 /nfs/dbraw/zinc/76/65/48/469766548.db2.gz MOFYKDQDLYXRTL-QFBILLFUSA-N 2 0 344.503 2.338 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)[NH+]2CCCC2)o1 ZINC000626963390 469770822 /nfs/dbraw/zinc/77/08/22/469770822.db2.gz NCZSITGLDIGIMR-BPUTZDHNSA-N 2 0 334.464 2.165 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000626975425 469774740 /nfs/dbraw/zinc/77/47/40/469774740.db2.gz TWULNTYADWIMOW-BYUNMRKYSA-N 2 0 342.487 2.232 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199489 469841492 /nfs/dbraw/zinc/84/14/92/469841492.db2.gz YBJDBZSBSDRZEJ-SJLPKXTDSA-N 2 0 344.503 2.433 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617929560 469842353 /nfs/dbraw/zinc/84/23/53/469842353.db2.gz MDEDHGJVYYOPJO-OALUTQOASA-N 2 0 344.503 2.236 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000627240127 469853466 /nfs/dbraw/zinc/85/34/66/469853466.db2.gz QRCYCAGZJDZNLV-UKBAYJJMSA-N 2 0 344.503 2.431 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C[NH+](C)C ZINC000627475660 469910736 /nfs/dbraw/zinc/91/07/36/469910736.db2.gz RPWPZWYDRRCQTD-LSTHTHJFSA-N 2 0 343.515 2.459 10 0 EEAERP Cc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)on1 ZINC000631041058 470054535 /nfs/dbraw/zinc/05/45/35/470054535.db2.gz WXRIEBJIYRYZDI-IBGZPJMESA-N 2 0 328.460 2.451 10 0 EEAERP COc1cncc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000631057034 470058630 /nfs/dbraw/zinc/05/86/30/470058630.db2.gz RQQYTIHOCZRZQA-UHFFFAOYSA-N 2 0 332.492 2.047 10 0 EEAERP C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631840059 470186880 /nfs/dbraw/zinc/18/68/80/470186880.db2.gz OZIDIFYWHBOKAI-NVXWUHKLSA-N 2 0 328.464 2.037 10 0 EEAERP O[C@@]1(CNC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC000634722270 470286618 /nfs/dbraw/zinc/28/66/18/470286618.db2.gz MOGBWHRDKDXDBH-NHCUHLMSSA-N 2 0 343.515 2.230 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)CC(F)F ZINC000645668918 470377186 /nfs/dbraw/zinc/37/71/86/470377186.db2.gz ITAVWLCWLOZTNZ-HUUCEWRRSA-N 2 0 348.482 2.335 10 0 EEAERP C[C@H](CC[NH+]1CCC(C2(O)CC2)CC1)[NH+]1CCC(C2(O)CC2)CC1 ZINC000649671377 470661924 /nfs/dbraw/zinc/66/19/24/470661924.db2.gz STEJAZGQMKQTLE-MRXNPFEDSA-N 2 0 336.520 2.239 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000646922604 470778400 /nfs/dbraw/zinc/77/84/00/470778400.db2.gz NMVMGPMDQHGYSR-MOPGFXCFSA-N 2 0 327.472 2.061 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646934967 470781602 /nfs/dbraw/zinc/78/16/02/470781602.db2.gz YJLCGHIXFXYURT-CZUORRHYSA-N 2 0 327.428 2.271 10 0 EEAERP c1ccc(N2CC[C@H](C[NH+]3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC000637870438 470861647 /nfs/dbraw/zinc/86/16/47/470861647.db2.gz SERVFXHCBBRURY-HXUWFJFHSA-N 2 0 342.531 2.226 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288502 470877570 /nfs/dbraw/zinc/87/75/70/470877570.db2.gz FPOCYKMGUSZJOW-JKSUJKDBSA-N 2 0 331.508 2.039 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804432 470988799 /nfs/dbraw/zinc/98/87/99/470988799.db2.gz QPKNKWVFCGMPLK-BZPMIXESSA-N 2 0 345.409 2.326 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000640941583 471129869 /nfs/dbraw/zinc/12/98/69/471129869.db2.gz QTRJMKXYFJPTLH-AEFFLSMTSA-N 2 0 336.524 2.282 10 0 EEAERP Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657485264 471150195 /nfs/dbraw/zinc/15/01/95/471150195.db2.gz YLJUDKMQYACGOD-KBXCAEBGSA-N 2 0 338.415 2.011 10 0 EEAERP c1cc2c(c(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c1)OCO2 ZINC000657534783 471163180 /nfs/dbraw/zinc/16/31/80/471163180.db2.gz DBTMSWGJPYIQOS-UHFFFAOYSA-N 2 0 332.444 2.396 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)C1 ZINC000657598117 471181251 /nfs/dbraw/zinc/18/12/51/471181251.db2.gz YOFQWHFMYQHDAK-LJQANCHMSA-N 2 0 338.455 2.210 10 0 EEAERP Nc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000645229647 471184068 /nfs/dbraw/zinc/18/40/68/471184068.db2.gz AXDLIKYOPFMQOU-INIZCTEOSA-N 2 0 337.471 2.294 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000654827445 471194387 /nfs/dbraw/zinc/19/43/87/471194387.db2.gz FIPUMUDXUPIJOW-BHIYHBOVSA-N 2 0 329.488 2.450 10 0 EEAERP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138786 471270359 /nfs/dbraw/zinc/27/03/59/471270359.db2.gz OBOPUGXHKZLSKV-VQTJNVASSA-N 2 0 342.487 2.264 10 0 EEAERP CN1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000658242873 471279184 /nfs/dbraw/zinc/27/91/84/471279184.db2.gz LYRHEHDIDAEWJL-QBUWPKIASA-N 2 0 327.472 2.250 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449410 471330707 /nfs/dbraw/zinc/33/07/07/471330707.db2.gz FBFPVSCIJFBZIW-OXJNMPFZSA-N 2 0 342.487 2.157 10 0 EEAERP CC[NH+]1CCN(c2ccc(CN[C@H]3CCCn4ccnc43)cn2)CC1 ZINC000655692387 471444705 /nfs/dbraw/zinc/44/47/05/471444705.db2.gz PNWDWTASMZFYPK-KRWDZBQOSA-N 2 0 340.475 2.045 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658982142 471456944 /nfs/dbraw/zinc/45/69/44/471456944.db2.gz VGHZTNICAJPLHI-QGZVFWFLSA-N 2 0 347.507 2.242 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659031879 471475011 /nfs/dbraw/zinc/47/50/11/471475011.db2.gz DGJXKKOXXICTJX-YJBOKZPZSA-N 2 0 346.475 2.153 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000666664733 471487285 /nfs/dbraw/zinc/48/72/85/471487285.db2.gz LMPXZDBGHBSRAZ-AEFFLSMTSA-N 2 0 332.492 2.049 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659448580 471633117 /nfs/dbraw/zinc/63/31/17/471633117.db2.gz FHLKDEXQXHYBOO-CGTJXYLNSA-N 2 0 332.492 2.162 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659470188 471643928 /nfs/dbraw/zinc/64/39/28/471643928.db2.gz XWYAYOHGZQCNDI-IPMKNSEASA-N 2 0 344.503 2.306 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667082944 471647848 /nfs/dbraw/zinc/64/78/48/471647848.db2.gz GUXDUQFYSBCULF-RHSMWYFYSA-N 2 0 334.464 2.137 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659479135 471648434 /nfs/dbraw/zinc/64/84/34/471648434.db2.gz HLRBEJJCFXYNET-MAUKXSAKSA-N 2 0 334.508 2.058 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCCCC1 ZINC000659505501 471660784 /nfs/dbraw/zinc/66/07/84/471660784.db2.gz OSTRAAAIVGLMRK-QGZVFWFLSA-N 2 0 336.524 2.459 10 0 EEAERP CSc1cc(NCCN(C)CCC[NH+](C)C)nc(SC)n1 ZINC000664243558 471693169 /nfs/dbraw/zinc/69/31/69/471693169.db2.gz AISVJDSMSYUONX-UHFFFAOYSA-N 2 0 329.539 2.216 10 0 EEAERP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659610957 471698186 /nfs/dbraw/zinc/69/81/86/471698186.db2.gz HAULVFKGAICPNU-SJLPKXTDSA-N 2 0 344.503 2.196 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCCO1 ZINC000653875244 471765693 /nfs/dbraw/zinc/76/56/93/471765693.db2.gz SHVBWZKCNCHPMP-GBESFXJTSA-N 2 0 347.503 2.343 10 0 EEAERP COc1ccccc1-c1cc(C[NH2+][C@H](C)C[C@@H]2COCCN2)on1 ZINC000665298888 471994515 /nfs/dbraw/zinc/99/45/15/471994515.db2.gz BUSHIQZVPCTNAI-ZIAGYGMSSA-N 2 0 331.416 2.207 10 0 EEAERP Cn1ncc(C2CCC2)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000668159403 472033284 /nfs/dbraw/zinc/03/32/84/472033284.db2.gz VIHFBTCPPHVLPO-UHFFFAOYSA-N 2 0 345.535 2.147 10 0 EEAERP CC(C)[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[NH+]1CCC(C)CC1 ZINC000662679401 472201915 /nfs/dbraw/zinc/20/19/15/472201915.db2.gz NUTPBHQIHPDOCA-CQSZACIVSA-N 2 0 336.480 2.355 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)on1 ZINC000662683141 472203436 /nfs/dbraw/zinc/20/34/36/472203436.db2.gz OUAGUBONNMOGMD-OAHLLOKOSA-N 2 0 342.443 2.435 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784365 472266116 /nfs/dbraw/zinc/26/61/16/472266116.db2.gz CEYZRWOLABJSPC-IBGZPJMESA-N 2 0 343.475 2.118 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000662909577 472297697 /nfs/dbraw/zinc/29/76/97/472297697.db2.gz GRGAXEUTHPVVLJ-GOSISDBHSA-N 2 0 329.488 2.443 10 0 EEAERP CCC[NH+]1CCC(N[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000679042364 485572685 /nfs/dbraw/zinc/57/26/85/485572685.db2.gz AXZXFAPVCHCHBP-OAQYLSRUSA-N 2 0 345.531 2.478 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000674147500 485647179 /nfs/dbraw/zinc/64/71/79/485647179.db2.gz CLQPTCUBWZYHMA-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000397596917 485674247 /nfs/dbraw/zinc/67/42/47/485674247.db2.gz QJJRGEKKLFPSOQ-SFHVURJKSA-N 3 0 345.531 2.333 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000626954888 485695593 /nfs/dbraw/zinc/69/55/93/485695593.db2.gz MXLVHFWPDXXUSH-LZQZEXGQSA-N 2 0 348.491 2.304 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000684962873 486047176 /nfs/dbraw/zinc/04/71/76/486047176.db2.gz FSPUCIXUVOYQBY-FRQCXROJSA-N 2 0 329.488 2.496 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCN2Cc2ccccn2)CC1 ZINC000676760517 486299907 /nfs/dbraw/zinc/29/99/07/486299907.db2.gz GPFQFHVOAGPVPO-TVPLGVNVSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000124783257 490644241 /nfs/dbraw/zinc/64/42/41/490644241.db2.gz QOHXSQXQVHEFQE-SFHVURJKSA-N 3 0 336.568 2.257 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000171904946 534218475 /nfs/dbraw/zinc/21/84/75/534218475.db2.gz YQBYFAAUMLHCLE-QZTJIDSGSA-N 2 0 330.476 2.087 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1OC ZINC000423065842 536596091 /nfs/dbraw/zinc/59/60/91/536596091.db2.gz VHKGIZKDIWOSSB-CYBMUJFWSA-N 2 0 331.254 2.301 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000758273466 577620688 /nfs/dbraw/zinc/62/06/88/577620688.db2.gz NLYFUBGGTFNYJR-KURKYZTESA-N 2 0 346.544 2.380 10 0 EEAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761093322 577676487 /nfs/dbraw/zinc/67/64/87/577676487.db2.gz NHACHLWNVFYFLZ-SUMDDJOVSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000764563702 577738801 /nfs/dbraw/zinc/73/88/01/577738801.db2.gz GWURAGQTUPSOGD-LMMKCTJWSA-N 2 0 329.488 2.450 10 0 EEAERP CCC1([NH+]2CCC2)CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000924382564 676869089 /nfs/dbraw/zinc/86/90/89/676869089.db2.gz QCVBLJDADADYGU-UHFFFAOYSA-N 2 0 330.476 2.385 10 0 EEAERP CCON(CC)C(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000895388813 684575846 /nfs/dbraw/zinc/57/58/46/684575846.db2.gz AJYQGSOMXXSDCZ-OTWHNJEPSA-N 2 0 345.487 2.429 10 0 EEAERP C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925221604 687706589 /nfs/dbraw/zinc/70/65/89/687706589.db2.gz NAHYHNITVNABEA-HOTGVXAUSA-N 2 0 332.488 2.404 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485541118 1191828698 /nfs/dbraw/zinc/82/86/98/1191828698.db2.gz XRUBWDWNPQAGEO-BEFAXECRSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001485646885 1191878463 /nfs/dbraw/zinc/87/84/63/1191878463.db2.gz MIFDPXNYHPAUEA-NVXWUHKLSA-N 2 0 346.475 2.048 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001485678821 1191894657 /nfs/dbraw/zinc/89/46/57/1191894657.db2.gz BPLQIRWWCLEUNM-MGPQQGTHSA-N 2 0 335.414 2.298 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001485683814 1191896476 /nfs/dbraw/zinc/89/64/76/1191896476.db2.gz AALMBNBVVYBTLO-MISYRCLQSA-N 2 0 341.499 2.055 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001485768035 1191941586 /nfs/dbraw/zinc/94/15/86/1191941586.db2.gz XRVSTWNAZSPAAS-DLBZAZTESA-N 2 0 339.524 2.065 10 0 EEAERP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@H]1CC1(Cl)Cl ZINC001266293370 1176146036 /nfs/dbraw/zinc/14/60/36/1176146036.db2.gz UYDFMXAQQWSZOC-ZDUSSCGKSA-N 2 0 348.318 2.247 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCCN1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266468350 1176594207 /nfs/dbraw/zinc/59/42/07/1176594207.db2.gz OIDIHGXANRZGSZ-HUUCEWRRSA-N 2 0 338.883 2.156 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@H]1CC1(Cl)Cl ZINC001480880432 1176695855 /nfs/dbraw/zinc/69/58/55/1176695855.db2.gz ZVXBMSDDBJAXHJ-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001649451778 1176747493 /nfs/dbraw/zinc/74/74/93/1176747493.db2.gz VMKSJGOXUABRTH-INIZCTEOSA-N 2 0 327.513 2.112 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001266561762 1176849713 /nfs/dbraw/zinc/84/97/13/1176849713.db2.gz FJMDDWFJHTUXAF-HNNXBMFYSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccnc(Cl)c1 ZINC001266699661 1177223452 /nfs/dbraw/zinc/22/34/52/1177223452.db2.gz LFYBAOWLEFHFNE-HNNXBMFYSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]C[C@@H]2CCO[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001266754479 1177354668 /nfs/dbraw/zinc/35/46/68/1177354668.db2.gz ROPRRTFVVCFXIJ-GOEBONIOSA-N 2 0 344.459 2.119 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691403102 1178012523 /nfs/dbraw/zinc/01/25/23/1178012523.db2.gz XZTHKDOHGOIMMR-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001267004649 1178066733 /nfs/dbraw/zinc/06/67/33/1178066733.db2.gz GHUFTPGEMUWOKN-IBGZPJMESA-N 2 0 331.504 2.310 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccsc1 ZINC001267151856 1178331971 /nfs/dbraw/zinc/33/19/71/1178331971.db2.gz DOISMXPVQLRIMK-OAHLLOKOSA-N 2 0 335.517 2.261 10 0 EEAERP CCN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1c(C)noc1C ZINC001481003607 1179461675 /nfs/dbraw/zinc/46/16/75/1179461675.db2.gz GVVWVDZWXNDNTO-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109004 1179758627 /nfs/dbraw/zinc/75/86/27/1179758627.db2.gz JHWJCZPVPSCBSM-ZIAGYGMSSA-N 2 0 339.430 2.416 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001481127403 1179841514 /nfs/dbraw/zinc/84/15/14/1179841514.db2.gz VAIIJOFUEFLBJT-IBGZPJMESA-N 2 0 331.504 2.316 10 0 EEAERP Cc1ccc(C[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001481194803 1180062020 /nfs/dbraw/zinc/06/20/20/1180062020.db2.gz VFIQURRUZICRDI-QGZVFWFLSA-N 2 0 344.503 2.121 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001283724382 1180093275 /nfs/dbraw/zinc/09/32/75/1180093275.db2.gz SJBFGLAYYVIELE-ZDUSSCGKSA-N 2 0 326.872 2.012 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230901 1180365385 /nfs/dbraw/zinc/36/53/85/1180365385.db2.gz IZTXFOOXVFYPRZ-IBGZPJMESA-N 2 0 329.488 2.009 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481260367 1180498380 /nfs/dbraw/zinc/49/83/80/1180498380.db2.gz QGMDVTXDBRWPEF-UHFFFAOYSA-N 2 0 332.492 2.142 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001481265988 1180519300 /nfs/dbraw/zinc/51/93/00/1180519300.db2.gz WVMQCWJKEBVVEM-GOSISDBHSA-N 2 0 347.503 2.297 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001267828479 1180596303 /nfs/dbraw/zinc/59/63/03/1180596303.db2.gz YXXQOHLWIKPRBA-QWHCGFSZSA-N 2 0 348.318 2.151 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cscn2)CC1)[NH+](C)C ZINC001267917287 1180761890 /nfs/dbraw/zinc/76/18/90/1180761890.db2.gz ATARUHDAIUROJK-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](O)c1ccccc1 ZINC001481287465 1180867124 /nfs/dbraw/zinc/86/71/24/1180867124.db2.gz INPIVMVNDJBMRJ-RBUKOAKNSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267978628 1180911042 /nfs/dbraw/zinc/91/10/42/1180911042.db2.gz DGGDZZJAHCSHPS-CRAIPNDOSA-N 2 0 347.503 2.118 10 0 EEAERP CCOCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481338002 1181065030 /nfs/dbraw/zinc/06/50/30/1181065030.db2.gz QGPJRWPWGTVEHD-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481434528 1181330488 /nfs/dbraw/zinc/33/04/88/1181330488.db2.gz AUKLGEGXJKMWSA-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](CC(=O)N(C)CCNCc1csc(C2CC2)n1)n1ccnc1 ZINC001691495054 1181538991 /nfs/dbraw/zinc/53/89/91/1181538991.db2.gz CYCUOZFRTDMGRE-ZDUSSCGKSA-N 2 0 347.488 2.416 10 0 EEAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268154742 1181847086 /nfs/dbraw/zinc/84/70/86/1181847086.db2.gz DDGBZXOPQFNREC-QGZVFWFLSA-N 2 0 349.523 2.075 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001481644672 1182048035 /nfs/dbraw/zinc/04/80/35/1182048035.db2.gz QXKWXBHRZJFRFM-UHFFFAOYSA-N 2 0 343.515 2.399 10 0 EEAERP COc1cccc([C@H](C)[NH+]2CC(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001481655422 1182138874 /nfs/dbraw/zinc/13/88/74/1182138874.db2.gz ZZUVOMLYTSRWIF-HOTGVXAUSA-N 2 0 345.487 2.146 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001481710034 1182284963 /nfs/dbraw/zinc/28/49/63/1182284963.db2.gz QJDMYLTXDWFRJX-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268385223 1182419230 /nfs/dbraw/zinc/41/92/30/1182419230.db2.gz KBOCYBUVVLSMAI-KBPBESRZSA-N 2 0 333.411 2.113 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268424779 1182596095 /nfs/dbraw/zinc/59/60/95/1182596095.db2.gz AXVMLQKLVJSYFV-QGZVFWFLSA-N 2 0 332.492 2.250 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(C(C)C)n1 ZINC001481879854 1182861534 /nfs/dbraw/zinc/86/15/34/1182861534.db2.gz ZJNFINPNIDLVSV-MRXNPFEDSA-N 2 0 332.492 2.285 10 0 EEAERP C[NH+]1CCC(CC(=O)NC2(C[NH2+]C/C=C\Cl)CCCC2)CC1 ZINC001481907302 1182924739 /nfs/dbraw/zinc/92/47/39/1182924739.db2.gz JYUIOEJXSNMKCM-WTKPLQERSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001481953184 1183030110 /nfs/dbraw/zinc/03/01/10/1183030110.db2.gz WHPKZIVXSRDEMT-FXAWDEMLSA-N 2 0 329.488 2.321 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CC(F)(F)C1 ZINC001482135086 1183391386 /nfs/dbraw/zinc/39/13/86/1183391386.db2.gz GSUXMLIPEFUQRL-IPYPFGDCSA-N 2 0 331.451 2.104 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001482173958 1183503363 /nfs/dbraw/zinc/50/33/63/1183503363.db2.gz UAYKLVGYIHCOSF-HOCLYGCPSA-N 2 0 338.521 2.105 10 0 EEAERP CC/C=C\CCN1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001482188234 1183587090 /nfs/dbraw/zinc/58/70/90/1183587090.db2.gz GPFIOPRIZGUJML-OSFIAYCASA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268734175 1183654113 /nfs/dbraw/zinc/65/41/13/1183654113.db2.gz AWLINPHELGVQSP-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847247 1183763623 /nfs/dbraw/zinc/76/36/23/1183763623.db2.gz GACKKKXYHQFSAL-WHWKNOJMSA-N 2 0 333.879 2.390 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001268877056 1183785113 /nfs/dbraw/zinc/78/51/13/1183785113.db2.gz UDTPWHXKGAJIMN-IRXDYDNUSA-N 2 0 348.491 2.246 10 0 EEAERP O=C(NCC1([NH2+]CCCC2CCOCC2)CC1)C12CCC[NH+]1CCC2 ZINC001269443252 1184270908 /nfs/dbraw/zinc/27/09/08/1184270908.db2.gz UQASYLUZWLZOFL-UHFFFAOYSA-N 2 0 349.519 2.060 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@](C)(C[NH2+]C/C=C\Cl)C2CC2)CC1 ZINC001269644639 1184468945 /nfs/dbraw/zinc/46/89/45/1184468945.db2.gz HBVOLQWAWNYEHV-MGEKVANASA-N 2 0 327.900 2.345 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)co1 ZINC001269737171 1184569970 /nfs/dbraw/zinc/56/99/70/1184569970.db2.gz HZGUYWSZEDYIQK-UWWQBHOKSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001269766306 1184604370 /nfs/dbraw/zinc/60/43/70/1184604370.db2.gz VIRLMXCYPYJDIO-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)no1 ZINC001269798793 1184627512 /nfs/dbraw/zinc/62/75/12/1184627512.db2.gz OEVCSSXZXZCHCE-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCCCCF ZINC001279124644 1184698078 /nfs/dbraw/zinc/69/80/78/1184698078.db2.gz NGWPQOJHMDALKO-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001269901047 1184704811 /nfs/dbraw/zinc/70/48/11/1184704811.db2.gz ABWCVSYVNCCEIY-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001270293367 1184992867 /nfs/dbraw/zinc/99/28/67/1184992867.db2.gz OWCHGAZRQJFGBF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCCCC(F)(F)F)C1 ZINC001270789748 1185389615 /nfs/dbraw/zinc/38/96/15/1185389615.db2.gz YAEKIVIIICPZJS-HNNXBMFYSA-N 2 0 337.430 2.499 10 0 EEAERP CCOCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482330251 1185412271 /nfs/dbraw/zinc/41/22/71/1185412271.db2.gz HYNYXZIJHHXSKL-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482342159 1185449735 /nfs/dbraw/zinc/44/97/35/1185449735.db2.gz IZQPKJTYCPQAKH-CQSZACIVSA-N 2 0 346.500 2.455 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)ccc1C ZINC001482365226 1185521687 /nfs/dbraw/zinc/52/16/87/1185521687.db2.gz SYNLCLUXQHJPAR-INIZCTEOSA-N 2 0 333.476 2.036 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001271156692 1185992078 /nfs/dbraw/zinc/99/20/78/1185992078.db2.gz ZHEXOQPUQVYAKN-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001271348271 1186153614 /nfs/dbraw/zinc/15/36/14/1186153614.db2.gz WJLSTORQIUGDFL-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271553830 1186306824 /nfs/dbraw/zinc/30/68/24/1186306824.db2.gz YRJTYCQOGDHTEU-HZPDHXFCSA-N 2 0 325.472 2.049 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)no1 ZINC001271599713 1186331535 /nfs/dbraw/zinc/33/15/35/1186331535.db2.gz LVDSEFFJBPIYME-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271628112 1186343097 /nfs/dbraw/zinc/34/30/97/1186343097.db2.gz CLHXQPFYAHUWCU-HKUYNNGSSA-N 2 0 343.515 2.398 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)cn1 ZINC001482532077 1186531554 /nfs/dbraw/zinc/53/15/54/1186531554.db2.gz DUGWJMUYEHGRCW-HOTGVXAUSA-N 2 0 347.507 2.061 10 0 EEAERP COCCC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001271860641 1186559623 /nfs/dbraw/zinc/55/96/23/1186559623.db2.gz JEJNFIOIQQEEBG-KRWDZBQOSA-N 2 0 332.448 2.023 10 0 EEAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@H]1CCOC1 ZINC001482545351 1186640284 /nfs/dbraw/zinc/64/02/84/1186640284.db2.gz PSXUMGCFYNTUJJ-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001482597380 1187300573 /nfs/dbraw/zinc/30/05/73/1187300573.db2.gz ZKRSXBADRHEGJU-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP COc1ccc(Cl)c(CN(C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001482624985 1187450440 /nfs/dbraw/zinc/45/04/40/1187450440.db2.gz DYUQFBOOEVPECO-UHFFFAOYSA-N 2 0 341.883 2.191 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001272772235 1193490776 /nfs/dbraw/zinc/49/07/76/1193490776.db2.gz DJIDBSHMEGUBIT-YOEHRIQHSA-N 2 0 336.480 2.094 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)nc1 ZINC001482878559 1187797704 /nfs/dbraw/zinc/79/77/04/1187797704.db2.gz YZQFIDDZCWNSKM-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)noc1C ZINC001482903130 1187828448 /nfs/dbraw/zinc/82/84/48/1187828448.db2.gz XDKXZDXSPXZSLB-SUMWQHHRSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)CC[NH+](C)C ZINC001482948014 1187887328 /nfs/dbraw/zinc/88/73/28/1187887328.db2.gz OVRIHADKCCIUPZ-ZDUSSCGKSA-N 2 0 327.419 2.416 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001483008750 1187991583 /nfs/dbraw/zinc/99/15/83/1187991583.db2.gz MDBDVPJGCXDVQY-PKVWGGKHSA-N 2 0 329.488 2.140 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001409279181 1188591983 /nfs/dbraw/zinc/59/19/83/1188591983.db2.gz JWJLAJJOAZMMTF-UHFFFAOYSA-N 2 0 345.487 2.043 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOCc1ccccc1 ZINC001485893925 1193632382 /nfs/dbraw/zinc/63/23/82/1193632382.db2.gz XXSNAOZQTMHYRO-IEBWSBKVSA-N 2 0 347.503 2.124 10 0 EEAERP Cc1nc(C)c(C[NH+](C)[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)s1 ZINC001409626152 1190117073 /nfs/dbraw/zinc/11/70/73/1190117073.db2.gz BCCHBIFEMBPRJX-IUODEOHRSA-N 2 0 338.521 2.038 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483267069 1190292059 /nfs/dbraw/zinc/29/20/59/1190292059.db2.gz ZQAQDNSLGPHODF-IRXDYDNUSA-N 2 0 331.504 2.228 10 0 EEAERP C[C@@H](C[N@H+](C)CCC1CCOCC1)NC(=O)C[C@H](C)n1ccnc1 ZINC001483392522 1190436674 /nfs/dbraw/zinc/43/66/74/1190436674.db2.gz ZNAAEAYJPQUVKO-HOTGVXAUSA-N 2 0 336.480 2.087 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCOCC1 ZINC001483422018 1190470201 /nfs/dbraw/zinc/47/02/01/1190470201.db2.gz UDSBOBYJRRQMAE-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)o1 ZINC001483476075 1190495422 /nfs/dbraw/zinc/49/54/22/1190495422.db2.gz QMCDRANUXBLXTG-HNNXBMFYSA-N 2 0 334.464 2.111 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001483504259 1190518306 /nfs/dbraw/zinc/51/83/06/1190518306.db2.gz LGEPDQMCXHBPIL-HNNXBMFYSA-N 2 0 333.451 2.421 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2Cc2ccccn2)C1 ZINC001409854973 1190689337 /nfs/dbraw/zinc/68/93/37/1190689337.db2.gz WTLQUMUPDNSDBL-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cncc(C)c1)CC2)[NH+](C)C ZINC001486147849 1193698807 /nfs/dbraw/zinc/69/88/07/1193698807.db2.gz QXDHHCBTGZJTKG-NLWGTHIKSA-N 2 0 344.503 2.343 10 0 EEAERP COCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001483813256 1191058257 /nfs/dbraw/zinc/05/82/57/1191058257.db2.gz KUCZOYONOZTECY-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CCc2cccs2)C1 ZINC001483952807 1191129764 /nfs/dbraw/zinc/12/97/64/1191129764.db2.gz OBTSKVFHYPCBLL-HOTGVXAUSA-N 2 0 335.517 2.213 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CCCC2)CC1 ZINC001484006944 1191148983 /nfs/dbraw/zinc/14/89/83/1191148983.db2.gz PTTZGEKHCMJXSM-VCELZJIISA-N 2 0 327.900 2.345 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCOc2ccccc2)C1 ZINC001484037288 1191168848 /nfs/dbraw/zinc/16/88/48/1191168848.db2.gz KVMQZXYRJMAIBJ-ICSRJNTNSA-N 2 0 345.487 2.130 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001484067218 1191186927 /nfs/dbraw/zinc/18/69/27/1191186927.db2.gz ISEXOLXYVGRCTJ-HXUWFJFHSA-N 2 0 346.519 2.175 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484349165 1191313739 /nfs/dbraw/zinc/31/37/39/1191313739.db2.gz YZLURRAOEATPCN-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001484407228 1191334233 /nfs/dbraw/zinc/33/42/33/1191334233.db2.gz SKTZYMYFWOOTBC-QVWVHEHFSA-N 2 0 333.520 2.463 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001484521445 1191396707 /nfs/dbraw/zinc/39/67/07/1191396707.db2.gz RSCXCUPAEVGYHO-RDZLGLOQSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001484524020 1191397665 /nfs/dbraw/zinc/39/76/65/1191397665.db2.gz DXLSNZSEEHIJIG-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484546854 1191408332 /nfs/dbraw/zinc/40/83/32/1191408332.db2.gz KQSWINXLKHLEJA-IAGOWNOFSA-N 2 0 349.544 2.461 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(C2CC2)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272687952 1191462698 /nfs/dbraw/zinc/46/26/98/1191462698.db2.gz DLRYSVKVZZZCEX-WFASDCNBSA-N 2 0 336.505 2.099 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484728580 1191487661 /nfs/dbraw/zinc/48/76/61/1191487661.db2.gz RVKQQONMSMFXRD-MRXNPFEDSA-N 2 0 336.480 2.102 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001484772121 1191514633 /nfs/dbraw/zinc/51/46/33/1191514633.db2.gz LXQLIFFPIKBWGB-IRXDYDNUSA-N 2 0 348.491 2.082 10 0 EEAERP CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)O2 ZINC001484787632 1191525806 /nfs/dbraw/zinc/52/58/06/1191525806.db2.gz HYYBMWIWIHZOKQ-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001484832252 1191545989 /nfs/dbraw/zinc/54/59/89/1191545989.db2.gz WENWBVIYIRPQMD-GOSISDBHSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001493839624 1191553367 /nfs/dbraw/zinc/55/33/67/1191553367.db2.gz JEDLVOPNNBXSBD-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001484867743 1191560947 /nfs/dbraw/zinc/56/09/47/1191560947.db2.gz OYJRPFXTSASXIN-IKGGRYGDSA-N 2 0 339.524 2.018 10 0 EEAERP CC1([NH2+]C/C(Cl)=C/Cl)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484927541 1191573696 /nfs/dbraw/zinc/57/36/96/1191573696.db2.gz QMBNNEOMGFTNLO-RAXLEYEMSA-N 2 0 334.291 2.372 10 0 EEAERP COCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001485073361 1191643321 /nfs/dbraw/zinc/64/33/21/1191643321.db2.gz LZOJHBKZUIKYDM-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485186891 1191684911 /nfs/dbraw/zinc/68/49/11/1191684911.db2.gz IEOCHPQCSYVGAB-OLZOCXBDSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C/C=C/c1ccccc1 ZINC001485348860 1191749763 /nfs/dbraw/zinc/74/97/63/1191749763.db2.gz BXXUFEKRYQDXAO-WGDYAQENSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001485356836 1191760702 /nfs/dbraw/zinc/76/07/02/1191760702.db2.gz GJDGICMYSDSBBQ-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC[C@H]1CCCCO1 ZINC001485356832 1191760947 /nfs/dbraw/zinc/76/09/47/1191760947.db2.gz GJDGICMYSDSBBQ-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485428561 1191787759 /nfs/dbraw/zinc/78/77/59/1191787759.db2.gz KDXMOAYEWFHVSM-RDJZCZTQSA-N 2 0 336.480 2.040 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001486180855 1193718044 /nfs/dbraw/zinc/71/80/44/1193718044.db2.gz QOAGIJXRIFUDHV-CRAIPNDOSA-N 2 0 333.476 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001486210761 1193751044 /nfs/dbraw/zinc/75/10/44/1193751044.db2.gz PTAACLOKGOTZKG-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001486422846 1193937042 /nfs/dbraw/zinc/93/70/42/1193937042.db2.gz HRWPBUQCMTWUJN-DZGCQCFKSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1 ZINC001273051330 1194355981 /nfs/dbraw/zinc/35/59/81/1194355981.db2.gz BDNKTWQXUZHANC-GOEBONIOSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273123695 1194407019 /nfs/dbraw/zinc/40/70/19/1194407019.db2.gz YFUBVXOKOPXFMF-HZPDHXFCSA-N 2 0 335.467 2.460 10 0 EEAERP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702123288 1195748121 /nfs/dbraw/zinc/74/81/21/1195748121.db2.gz AEMXTLSDTGHBCY-YQVWRLOYSA-N 2 0 347.528 2.047 10 0 EEAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001691681509 1197486487 /nfs/dbraw/zinc/48/64/87/1197486487.db2.gz ABWNHKSUFQVNBY-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001410158390 1197574373 /nfs/dbraw/zinc/57/43/73/1197574373.db2.gz NICABTCZEUVGLW-LDLYASANSA-N 2 0 345.531 2.347 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001410423738 1197857361 /nfs/dbraw/zinc/85/73/61/1197857361.db2.gz JRSLYUKKZDDYPM-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001410439504 1197900445 /nfs/dbraw/zinc/90/04/45/1197900445.db2.gz RGWYTVKGRPPUEX-RDJZCZTQSA-N 2 0 347.503 2.282 10 0 EEAERP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872028764 1198031201 /nfs/dbraw/zinc/03/12/01/1198031201.db2.gz RGNZSTTWCMIMTI-ROUUACIJSA-N 2 0 332.492 2.128 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000872205907 1198085252 /nfs/dbraw/zinc/08/52/52/1198085252.db2.gz LIXATEDZLALYJJ-IYWMVGAKSA-N 2 0 346.515 2.399 10 0 EEAERP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872230340 1198099967 /nfs/dbraw/zinc/09/99/67/1198099967.db2.gz YHSLLGPMTUURAX-IOJLRTSASA-N 2 0 333.520 2.332 10 0 EEAERP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257345 1198114640 /nfs/dbraw/zinc/11/46/40/1198114640.db2.gz PRGQNPYIQBJLAU-XKQJLSEDSA-N 2 0 349.862 2.269 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872275081 1198123929 /nfs/dbraw/zinc/12/39/29/1198123929.db2.gz FEPLUIPQQSRNGP-VCBZYWHSSA-N 2 0 331.460 2.473 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1ccccn1)CC2 ZINC001410901448 1198558128 /nfs/dbraw/zinc/55/81/28/1198558128.db2.gz KFEXVGOUCLQNEG-IEBWSBKVSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001410920821 1198579223 /nfs/dbraw/zinc/57/92/23/1198579223.db2.gz KQJBQTMVHBVSHU-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001411221837 1198932460 /nfs/dbraw/zinc/93/24/60/1198932460.db2.gz YPFVLAGUCHXAMY-AWEZNQCLSA-N 2 0 343.462 2.248 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428337 1199185448 /nfs/dbraw/zinc/18/54/48/1199185448.db2.gz WKIMBOGBLUUCME-GJZGRUSLSA-N 2 0 336.867 2.130 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000810174369 1199331085 /nfs/dbraw/zinc/33/10/85/1199331085.db2.gz SEVOBMKWYKWWSD-MAUKXSAKSA-N 2 0 325.472 2.286 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000810429006 1199506983 /nfs/dbraw/zinc/50/69/83/1199506983.db2.gz UBMVSZJKROZDLQ-MAUKXSAKSA-N 2 0 325.472 2.143 10 0 EEAERP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000886587638 1202527882 /nfs/dbraw/zinc/52/78/82/1202527882.db2.gz CBPPLYIUOVUOQS-AYOQOUSVSA-N 2 0 346.471 2.075 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001274319182 1204996496 /nfs/dbraw/zinc/99/64/96/1204996496.db2.gz YYRUWQBGMZNGEW-AATRIKPKSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274610279 1205099408 /nfs/dbraw/zinc/09/94/08/1205099408.db2.gz OCYRORUDYHIFIC-PLNGDYQASA-N 2 0 329.488 2.278 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCCc3ccsc3)C2)C1 ZINC001275324311 1205309335 /nfs/dbraw/zinc/30/93/35/1205309335.db2.gz UHLXFMPWGHIGQY-AQFXKWCLSA-N 2 0 335.517 2.117 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nccs2)ccc2c[nH+]cn21 ZINC001275434580 1205359948 /nfs/dbraw/zinc/35/99/48/1205359948.db2.gz WKISADACJQDTSZ-VXGBXAGGSA-N 2 0 343.456 2.396 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001412096401 1205647996 /nfs/dbraw/zinc/64/79/96/1205647996.db2.gz ZOPJMNVDDUFPJL-CEXWTWQISA-N 2 0 345.462 2.011 10 0 EEAERP C[C@H](CCNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+](C)Cc1ccccc1 ZINC001412637945 1205808365 /nfs/dbraw/zinc/80/83/65/1205808365.db2.gz GCBONJIWQCXJRZ-AEFFLSMTSA-N 2 0 335.467 2.447 10 0 EEAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924657042 1206012431 /nfs/dbraw/zinc/01/24/31/1206012431.db2.gz FIBCUSQYIRSXOV-ICSRJNTNSA-N 2 0 330.520 2.410 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)C(C)(C)CO)cc2)CC1 ZINC000924693432 1206019518 /nfs/dbraw/zinc/01/95/18/1206019518.db2.gz ZEGVGMCHMIQULW-QGZVFWFLSA-N 2 0 333.520 2.321 10 0 EEAERP CC1(C)C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623057 1206136914 /nfs/dbraw/zinc/13/69/14/1206136914.db2.gz OOHKXXZGXURRJJ-YRPNKDGESA-N 2 0 345.531 2.365 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632102 1206137630 /nfs/dbraw/zinc/13/76/30/1206137630.db2.gz ZVTPALGASOKXQE-IZBJGVDFSA-N 2 0 341.499 2.401 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000925638720 1206138474 /nfs/dbraw/zinc/13/84/74/1206138474.db2.gz FEBLFADBEDZJRF-HUUCEWRRSA-N 2 0 336.455 2.053 10 0 EEAERP CC1(C)[C@@H]([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925673556 1206142347 /nfs/dbraw/zinc/14/23/47/1206142347.db2.gz ZEXDMSKCHFHVAG-NCOADZHNSA-N 2 0 334.508 2.033 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000925673911 1206142536 /nfs/dbraw/zinc/14/25/36/1206142536.db2.gz ZQHWPFOWKLIRJU-UONOGXRCSA-N 2 0 329.444 2.168 10 0 EEAERP [NH3+]CCC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000925710966 1206145331 /nfs/dbraw/zinc/14/53/31/1206145331.db2.gz LJAQNFVVVRFKBY-CYBMUJFWSA-N 2 0 338.395 2.033 10 0 EEAERP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806413 1206155782 /nfs/dbraw/zinc/15/57/82/1206155782.db2.gz POVXAIIAGDIBEC-KBPBESRZSA-N 2 0 345.553 2.123 10 0 EEAERP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843366 1206159128 /nfs/dbraw/zinc/15/91/28/1206159128.db2.gz PPMCGKNCPMOIET-ILZDJORESA-N 2 0 329.488 2.246 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000925849459 1206160437 /nfs/dbraw/zinc/16/04/37/1206160437.db2.gz JHDZWZDEYBVSSL-NJAFHUGGSA-N 2 0 343.471 2.383 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)CC12CC[NH2+]CC2 ZINC000925849360 1206160502 /nfs/dbraw/zinc/16/05/02/1206160502.db2.gz IQMGMFCLIYADOQ-BBRMVZONSA-N 2 0 330.428 2.045 10 0 EEAERP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855221 1206161494 /nfs/dbraw/zinc/16/14/94/1206161494.db2.gz TUMSPVCYTCIZGE-RDJZCZTQSA-N 2 0 344.455 2.484 10 0 EEAERP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855424 1206161522 /nfs/dbraw/zinc/16/15/22/1206161522.db2.gz PGASKOSUEGJGNP-YOEHRIQHSA-N 2 0 332.444 2.421 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925919288 1206168361 /nfs/dbraw/zinc/16/83/61/1206168361.db2.gz DDYRQOXIZGANPI-KRWDZBQOSA-N 2 0 349.523 2.494 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000925954801 1206174101 /nfs/dbraw/zinc/17/41/01/1206174101.db2.gz ZTXDACRZJVZCJS-IBGZPJMESA-N 2 0 346.475 2.377 10 0 EEAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccnnc1 ZINC000926126855 1206195832 /nfs/dbraw/zinc/19/58/32/1206195832.db2.gz SAHCXMOXXMUIAP-HNAYVOBHSA-N 2 0 326.444 2.284 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccnn1CC1CCC1 ZINC000926202432 1206204087 /nfs/dbraw/zinc/20/40/87/1206204087.db2.gz LSVZVGRFUSFWQW-DLBZAZTESA-N 2 0 333.524 2.360 10 0 EEAERP O[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1(O)CCC1 ZINC000929772869 1206500158 /nfs/dbraw/zinc/50/01/58/1206500158.db2.gz PCNLECPTZJRYPI-WOJBJXKFSA-N 2 0 344.499 2.250 10 0 EEAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000718009629 1211700884 /nfs/dbraw/zinc/70/08/84/1211700884.db2.gz ATRNKNGTWXDZSA-QGZVFWFLSA-N 2 0 342.487 2.488 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276326028 1215732190 /nfs/dbraw/zinc/73/21/90/1215732190.db2.gz DJQMOMIIGBRDSN-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[C@@H]1CCOC1 ZINC001413048393 1217953304 /nfs/dbraw/zinc/95/33/04/1217953304.db2.gz AGWWKIJEZBEMCN-CGXNFDGLSA-N 2 0 344.499 2.492 10 0 EEAERP CC1(C)COCCN1CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900557083 1234481182 /nfs/dbraw/zinc/48/11/82/1234481182.db2.gz QQZMMIOYLXBUJJ-UHFFFAOYSA-N 2 0 344.459 2.131 10 0 EEAERP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901132922 1235263945 /nfs/dbraw/zinc/26/39/45/1235263945.db2.gz MEIAKAMRBDGERO-FQEVSTJZSA-N 2 0 345.487 2.376 10 0 EEAERP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496605 1240672216 /nfs/dbraw/zinc/67/22/16/1240672216.db2.gz VPHBWSUYDJFLRG-KLHDSHLOSA-N 2 0 333.476 2.178 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892543 1242358432 /nfs/dbraw/zinc/35/84/32/1242358432.db2.gz JOMGSAYUELRTPK-RHSMWYFYSA-N 2 0 330.476 2.115 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892547 1242359383 /nfs/dbraw/zinc/35/93/83/1242359383.db2.gz JOMGSAYUELRTPK-YOEHRIQHSA-N 2 0 330.476 2.115 10 0 EEAERP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913987 1242460960 /nfs/dbraw/zinc/46/09/60/1242460960.db2.gz RBHOBTBSNSTSNR-QUCCMNQESA-N 2 0 344.503 2.035 10 0 EEAERP Nc1cc[nH+]c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000903950689 1242674457 /nfs/dbraw/zinc/67/44/57/1242674457.db2.gz QZZZWNIOICQNSO-UHFFFAOYSA-N 2 0 326.444 2.428 10 0 EEAERP COCCN(C)c1ccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000903959357 1242731275 /nfs/dbraw/zinc/73/12/75/1242731275.db2.gz GKBPXQDBWJVQNU-LJQANCHMSA-N 2 0 332.492 2.130 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001276386602 1255526589 /nfs/dbraw/zinc/52/65/89/1255526589.db2.gz GQHHNEMXSHTNNI-UHFFFAOYSA-N 2 0 337.895 2.416 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccs2)C1)[NH+]1CCCC1 ZINC001490958027 1258509197 /nfs/dbraw/zinc/50/91/97/1258509197.db2.gz LDBLWMSMTKYHHL-IIAWOOMASA-N 2 0 336.505 2.000 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001491050485 1258613456 /nfs/dbraw/zinc/61/34/56/1258613456.db2.gz KZBPUOMRYYCWGL-OKILXGFUSA-N 2 0 339.430 2.086 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491225048 1258807676 /nfs/dbraw/zinc/80/76/76/1258807676.db2.gz LRHGIAKYMIYLMY-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491270460 1258862845 /nfs/dbraw/zinc/86/28/45/1258862845.db2.gz CCUQNFXHHXIHLN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CO)cc1 ZINC001649263406 1278338076 /nfs/dbraw/zinc/33/80/76/1278338076.db2.gz WUMWOFIQRXPDOX-SFHVURJKSA-N 2 0 348.491 2.059 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1)[NH+](CC)CC ZINC001280631538 1278523024 /nfs/dbraw/zinc/52/30/24/1278523024.db2.gz YWFPXKQNKLNUSM-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001273909398 1289774825 /nfs/dbraw/zinc/77/48/25/1289774825.db2.gz FAJQSVPYPCUNPY-FMQLDFCNSA-N 2 0 349.425 2.308 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001488803192 1290201983 /nfs/dbraw/zinc/20/19/83/1290201983.db2.gz CZKQMHSDEBGUHV-YRBFXIGRSA-N 2 0 348.466 2.078 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001489056406 1290347581 /nfs/dbraw/zinc/34/75/81/1290347581.db2.gz QBKKSOQZSWWLLY-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1conc1CN[C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001490310995 1291184971 /nfs/dbraw/zinc/18/49/71/1291184971.db2.gz FNIVQMNPXFCUAP-NVXWUHKLSA-N 2 0 336.480 2.182 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2cc3ccccc3o2)C2CC2)C1 ZINC001490735934 1291644795 /nfs/dbraw/zinc/64/47/95/1291644795.db2.gz OXXKCFXSNGBWIB-WMZOPIPTSA-N 2 0 341.455 2.369 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](O)C(C)(C)C)C2)ccn1 ZINC000856584466 1293572116 /nfs/dbraw/zinc/57/21/16/1293572116.db2.gz KQKYVHMZRULLMR-MSOLQXFVSA-N 2 0 335.492 2.393 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001277074439 1301160674 /nfs/dbraw/zinc/16/06/74/1301160674.db2.gz HKCDVIADBPHKRM-KKUMJFAQSA-N 2 0 338.883 2.060 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC001277193728 1301752405 /nfs/dbraw/zinc/75/24/05/1301752405.db2.gz MBRVEXWELIDJLJ-BPQIPLTHSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355290 1302607182 /nfs/dbraw/zinc/60/71/82/1302607182.db2.gz DQLRKIBTHRHNEO-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001277755358 1304347367 /nfs/dbraw/zinc/34/73/67/1304347367.db2.gz HNNWVAUDSHGHJO-CABCVRRESA-N 2 0 345.422 2.210 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001278004772 1305656246 /nfs/dbraw/zinc/65/62/46/1305656246.db2.gz FOYBQQWSTUUBJV-MMAALDBVSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(Cl)n1 ZINC000841850804 1315622542 /nfs/dbraw/zinc/62/25/42/1315622542.db2.gz DUTLNSFIDHZTGN-PBHICJAKSA-N 2 0 336.867 2.035 10 0 EEAERP CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866676 1315626533 /nfs/dbraw/zinc/62/65/33/1315626533.db2.gz GIMSPSPJUAYERV-FOIPXRHGSA-N 2 0 330.476 2.343 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001278991040 1318943933 /nfs/dbraw/zinc/94/39/33/1318943933.db2.gz XLHPRYPDBCENMI-MRXNPFEDSA-N 2 0 341.540 2.406 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001264008605 1322583376 /nfs/dbraw/zinc/58/33/76/1322583376.db2.gz WAUAZXVRUFKFMB-MCIONIFRSA-N 2 0 335.414 2.107 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOCC2CC2)C1)[NH+](C)C ZINC001264122533 1322634417 /nfs/dbraw/zinc/63/44/17/1322634417.db2.gz ONNHZCBPXFRZSC-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001265005612 1322852322 /nfs/dbraw/zinc/85/23/22/1322852322.db2.gz CGHNLPAWTBCDEC-MRXNPFEDSA-N 2 0 332.448 2.119 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC001265027100 1322870521 /nfs/dbraw/zinc/87/05/21/1322870521.db2.gz FXFVFPFANZDIMB-WMZOPIPTSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1ccc(F)cc1C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030952 1322873481 /nfs/dbraw/zinc/87/34/81/1322873481.db2.gz QSMJXRGAAKYNSQ-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001265043580 1322886160 /nfs/dbraw/zinc/88/61/60/1322886160.db2.gz RNOIFWNLYVNIBM-HNNXBMFYSA-N 2 0 336.480 2.186 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001265195307 1322978868 /nfs/dbraw/zinc/97/88/68/1322978868.db2.gz ZOGAYWMRKXXFQO-UHFFFAOYSA-N 2 0 344.459 2.216 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCCOc2ccccc2)C1)C1CCC1 ZINC001265287516 1323039412 /nfs/dbraw/zinc/03/94/12/1323039412.db2.gz BPROTOWEVGALOB-QGZVFWFLSA-N 2 0 345.487 2.130 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265428830 1323150102 /nfs/dbraw/zinc/15/01/02/1323150102.db2.gz CPVZRZRTNDBTCW-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265613166 1323267874 /nfs/dbraw/zinc/26/78/74/1323267874.db2.gz JVRXDWOHOUWOEW-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265656198 1323301614 /nfs/dbraw/zinc/30/16/14/1323301614.db2.gz YBBTXFZDUNTWOG-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001266026735 1323577562 /nfs/dbraw/zinc/57/75/62/1323577562.db2.gz QWMDGGGWDDKWFV-VQFGERMISA-N 2 0 329.488 2.480 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001266099361 1323660761 /nfs/dbraw/zinc/66/07/61/1323660761.db2.gz DYPICWVPMCDSSJ-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)(C(=O)NCC1=CC[N@H+](CC[C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC001279607846 1323958155 /nfs/dbraw/zinc/95/81/55/1323958155.db2.gz YQQRSWUAAVWYSH-GOSISDBHSA-N 2 0 349.519 2.036 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]Cc3cccc(F)c3)C2)CC1 ZINC001280173533 1324103534 /nfs/dbraw/zinc/10/35/34/1324103534.db2.gz QEVWIELYQLHUQG-MRXNPFEDSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284003764 1326358800 /nfs/dbraw/zinc/35/88/00/1326358800.db2.gz LXTKLMVAYSCVFJ-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccc(OC)cc2)CC1)[NH+](C)C ZINC001284956994 1326794404 /nfs/dbraw/zinc/79/44/04/1326794404.db2.gz KWEVHGPTWLKCQJ-IBGZPJMESA-N 2 0 345.487 2.284 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCc1nc2c(o1)CCCC2 ZINC001491682139 1330203986 /nfs/dbraw/zinc/20/39/86/1330203986.db2.gz JGUUDRNEHZWKAR-GOEBONIOSA-N 2 0 348.491 2.022 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001491885145 1330288729 /nfs/dbraw/zinc/28/87/29/1330288729.db2.gz GPQWFYHFWLXEPC-OALUTQOASA-N 2 0 347.503 2.068 10 0 EEAERP 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QHCWDFNOZZPSPR-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cn1)[NH+]1CCCCC1 ZINC001321062183 1333008245 /nfs/dbraw/zinc/00/82/45/1333008245.db2.gz AGGAAYPKYKXQSN-SNAWJCMRSA-N 2 0 348.466 2.247 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001321120407 1333023815 /nfs/dbraw/zinc/02/38/15/1333023815.db2.gz IJKZCOMDZLEMQW-LLHWWHOWSA-N 2 0 340.471 2.414 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321991449 1333191681 /nfs/dbraw/zinc/19/16/81/1333191681.db2.gz OBELYYDSLWNEKQ-WMZOPIPTSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322042593 1333201504 /nfs/dbraw/zinc/20/15/04/1333201504.db2.gz VKQKQZZETJNCMI-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccc(CCC[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001323406657 1333457258 /nfs/dbraw/zinc/45/72/58/1333457258.db2.gz RBKVMCSLDXHAFO-GOSISDBHSA-N 2 0 329.488 2.260 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCCCCF ZINC001324162534 1333625732 /nfs/dbraw/zinc/62/57/32/1333625732.db2.gz LIGNJVKGFMICED-IAGOWNOFSA-N 2 0 325.472 2.049 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCc2ccsc2)C1 ZINC001324277523 1333648293 /nfs/dbraw/zinc/64/82/93/1333648293.db2.gz PPSNVGYHCOGKLH-IRXDYDNUSA-N 2 0 335.517 2.213 10 0 EEAERP CC(C)[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325325879 1333863673 /nfs/dbraw/zinc/86/36/73/1333863673.db2.gz WWHMUKRBWDMFAP-IRXDYDNUSA-N 2 0 336.455 2.258 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001326436018 1334093175 /nfs/dbraw/zinc/09/31/75/1334093175.db2.gz AXFHNRNYLGBLNN-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001326524642 1334109585 /nfs/dbraw/zinc/10/95/85/1334109585.db2.gz DYDSJWJEJSVDML-KZNAEPCWSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001328282074 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QREHAUSTABEZCR-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001332805569 1335910542 /nfs/dbraw/zinc/91/05/42/1335910542.db2.gz HZDVVTSTZHIILI-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)C1 ZINC001333312200 1336003450 /nfs/dbraw/zinc/00/34/50/1336003450.db2.gz NXPNRLGIHVLKHJ-LJQANCHMSA-N 2 0 336.439 2.419 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479679630 1337338769 /nfs/dbraw/zinc/33/87/69/1337338769.db2.gz PSGWTLCIQKQWDX-QGZVFWFLSA-N 2 0 327.513 2.066 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001480110276 1337878126 /nfs/dbraw/zinc/87/81/26/1337878126.db2.gz JEXWRKYCDQONIN-AYOQOUSVSA-N 2 0 347.478 2.289 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000847355245 1337973412 /nfs/dbraw/zinc/97/34/12/1337973412.db2.gz SFXMURYSEUNGQE-INIZCTEOSA-N 2 0 330.476 2.109 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001480525565 1338296442 /nfs/dbraw/zinc/29/64/42/1338296442.db2.gz KLSNERHLVMXAGK-VKJFTORMSA-N 2 0 335.467 2.481 10 0 EEAERP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)sc1C=O ZINC001615787995 1352325317 /nfs/dbraw/zinc/32/53/17/1352325317.db2.gz OMSMANHJSVRSPM-UHFFFAOYSA-N 2 0 339.505 2.215 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001668196074 1355896079 /nfs/dbraw/zinc/89/60/79/1355896079.db2.gz CRRLQVPCTRCVEB-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214978 1355900924 /nfs/dbraw/zinc/90/09/24/1355900924.db2.gz SYHBMGKLJGUPOU-IRXDYDNUSA-N 2 0 347.503 2.330 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001436349142 1342044949 /nfs/dbraw/zinc/04/49/49/1342044949.db2.gz BSWUGKNSZVMOFS-XGUBFFRZSA-N 2 0 347.425 2.440 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)c(C)o1 ZINC001436394245 1342070833 /nfs/dbraw/zinc/07/08/33/1342070833.db2.gz JSSAUDGAYWNFTN-WKILWMFISA-N 2 0 348.491 2.150 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC001499120243 1342108210 /nfs/dbraw/zinc/10/82/10/1342108210.db2.gz MOSUGPONKKSWQL-PKOBYXMFSA-N 2 0 327.472 2.350 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001502546069 1342208719 /nfs/dbraw/zinc/20/87/19/1342208719.db2.gz NXKVEDIQQIDGGK-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001506674583 1342309731 /nfs/dbraw/zinc/30/97/31/1342309731.db2.gz HTCQMHFUZUVPGV-MRXNPFEDSA-N 2 0 341.499 2.208 10 0 EEAERP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566879332 1342647136 /nfs/dbraw/zinc/64/71/36/1342647136.db2.gz JVXVEIFVBQVREY-IRXDYDNUSA-N 2 0 347.507 2.098 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567166327 1342703304 /nfs/dbraw/zinc/70/33/04/1342703304.db2.gz BQVBOZSKXQXRTQ-IAGOWNOFSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CC2CC(F)(F)C2)ccc2c[nH+]cn21 ZINC001567522757 1342777472 /nfs/dbraw/zinc/77/74/72/1342777472.db2.gz FGUWGYUUQUVMPZ-UHFFFAOYSA-N 2 0 336.386 2.350 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCOCC2)CC[N@@H+]1C ZINC001569730032 1342935403 /nfs/dbraw/zinc/93/54/03/1342935403.db2.gz QHAHOHRHNWWFIC-SJLPKXTDSA-N 2 0 349.519 2.082 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001570006664 1342997082 /nfs/dbraw/zinc/99/70/82/1342997082.db2.gz RCEDKYHTPNBBJU-IJEKBPOVSA-N 2 0 348.318 2.475 10 0 EEAERP CC/C=C/CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001570976450 1343145075 /nfs/dbraw/zinc/14/50/75/1343145075.db2.gz CBOZVLAGDGZKSJ-KGVXHEBISA-N 2 0 337.508 2.033 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001571357098 1343195461 /nfs/dbraw/zinc/19/54/61/1343195461.db2.gz DWTWPIUYNYYIHZ-IRXDYDNUSA-N 2 0 335.517 2.211 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001571518107 1343226520 /nfs/dbraw/zinc/22/65/20/1343226520.db2.gz AVUFAXYIHASBME-SJORKVTESA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)(CNC(=O)[C@H]1CCCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC001645892685 1352807721 /nfs/dbraw/zinc/80/77/21/1352807721.db2.gz JIYGVPWVGSJUMU-ZWKOTPCHSA-N 2 0 329.488 2.457 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]CCCOC)CC2)C1 ZINC001649458971 1353516674 /nfs/dbraw/zinc/51/66/74/1353516674.db2.gz IZQYDROVVYMMQO-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP O=C([C@H]1CCCCN1Cc1cccnc1)N1CCC([NH+]2CCC2)CC1 ZINC001650031564 1353694223 /nfs/dbraw/zinc/69/42/23/1353694223.db2.gz DPKPITOCDWNVAH-LJQANCHMSA-N 2 0 342.487 2.133 10 0 EEAERP C[NH+]1CCC(OCC(=O)OC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001650494484 1353952644 /nfs/dbraw/zinc/95/26/44/1353952644.db2.gz JRYVTUWACLLEAC-QGZVFWFLSA-N 2 0 338.492 2.438 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC001650608222 1354020083 /nfs/dbraw/zinc/02/00/83/1354020083.db2.gz YKHCZLQULQAILO-OTWHNJEPSA-N 2 0 327.472 2.352 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CC[NH2+]CCC1CC1 ZINC001656454005 1354239622 /nfs/dbraw/zinc/23/96/22/1354239622.db2.gz PZECKKVKUFCNKE-WMZOPIPTSA-N 2 0 333.520 2.489 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001657102622 1354326254 /nfs/dbraw/zinc/32/62/54/1354326254.db2.gz WWDMFVJAOWQQDA-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCOC(=O)C[C@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC001658369005 1354359521 /nfs/dbraw/zinc/35/95/21/1354359521.db2.gz LOQKOLLXPYPAGW-IBGZPJMESA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001660476245 1354470590 /nfs/dbraw/zinc/47/05/90/1354470590.db2.gz UFWFNXJMXSPRNU-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661234962 1354614525 /nfs/dbraw/zinc/61/45/25/1354614525.db2.gz BICMFNLGMILNMS-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCOc2cccc(C)c2)C1)[NH+](C)C ZINC001662650933 1354820035 /nfs/dbraw/zinc/82/00/35/1354820035.db2.gz VGDPZVBVPGWWEU-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662712672 1354830336 /nfs/dbraw/zinc/83/03/36/1354830336.db2.gz SRAKAGFIYRKRLV-ROUUACIJSA-N 2 0 349.544 2.461 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCO)C1 ZINC001662765081 1354841150 /nfs/dbraw/zinc/84/11/50/1354841150.db2.gz CUNPCNRPXLFMQS-HZPDHXFCSA-N 2 0 339.524 2.039 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1Cc1cncs1 ZINC001663124486 1354923766 /nfs/dbraw/zinc/92/37/66/1354923766.db2.gz XOEBYAPAZGHNHN-HNNXBMFYSA-N 2 0 338.521 2.344 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCCCCF)C2)C1 ZINC001666172503 1355474785 /nfs/dbraw/zinc/47/47/85/1355474785.db2.gz IGZBQKJOBOYFPE-SJORKVTESA-N 2 0 327.488 2.296 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001666172389 1355475069 /nfs/dbraw/zinc/47/50/69/1355475069.db2.gz GZYFMSJAZSKBMU-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001666991955 1355628319 /nfs/dbraw/zinc/62/83/19/1355628319.db2.gz JBCXKDMRDQHPDH-MSOLQXFVSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001667286144 1355699203 /nfs/dbraw/zinc/69/92/03/1355699203.db2.gz XRNZCCYNWOSZDP-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001668201898 1355897769 /nfs/dbraw/zinc/89/77/69/1355897769.db2.gz AQVJWXIKJHRVER-XJKSGUPXSA-N 2 0 340.899 2.306 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001668453668 1355944506 /nfs/dbraw/zinc/94/45/06/1355944506.db2.gz WOXSRTCNSIMMTL-UHFFFAOYSA-N 2 0 335.467 2.291 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC/C=C/c1ccccc1 ZINC001668978640 1356059526 /nfs/dbraw/zinc/05/95/26/1356059526.db2.gz LJRKYOGXIKWCME-UZUNRUDGSA-N 2 0 327.472 2.446 10 0 EEAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001671737393 1356405356 /nfs/dbraw/zinc/40/53/56/1356405356.db2.gz ZBBPTYKFQNVJPX-WMZOPIPTSA-N 2 0 333.480 2.028 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCCF)C2)CC1 ZINC001672233498 1356485704 /nfs/dbraw/zinc/48/57/04/1356485704.db2.gz BWLPFIDHEMQPRU-NVXWUHKLSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001672400761 1356515737 /nfs/dbraw/zinc/51/57/37/1356515737.db2.gz QVRCAHIDSNJCRC-AEFFLSMTSA-N 2 0 335.467 2.305 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C)ns2)C1)[NH+](C)C ZINC001672897984 1356610300 /nfs/dbraw/zinc/61/03/00/1356610300.db2.gz YYRKHPNXDRLGPC-ZBFHGGJFSA-N 2 0 338.521 2.120 10 0 EEAERP COCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001672937514 1356618440 /nfs/dbraw/zinc/61/84/40/1356618440.db2.gz LGKCACUCLNTKSI-QFBILLFUSA-N 2 0 347.503 2.474 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC001673917794 1356759964 /nfs/dbraw/zinc/75/99/64/1356759964.db2.gz QUSVNNRYWHEQOY-HKUYNNGSSA-N 2 0 347.503 2.152 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCc3ccc(Cl)cc3)C2)C1 ZINC001674608480 1356863219 /nfs/dbraw/zinc/86/32/19/1356863219.db2.gz NSNMGMIWUPCEEU-UPTPFMHGSA-N 2 0 349.906 2.319 10 0 EEAERP Cc1ccc(NCCNC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)nc1 ZINC001683992921 1358211658 /nfs/dbraw/zinc/21/16/58/1358211658.db2.gz QSINVVWMESXGHN-MRXNPFEDSA-N 2 0 333.480 2.222 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C/c1ccccc1 ZINC001698748551 1405042597 /nfs/dbraw/zinc/04/25/97/1405042597.db2.gz NSDNLYDTKFPQJG-KZJOSYIESA-N 2 0 341.499 2.384 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699019361 1405233780 /nfs/dbraw/zinc/23/37/80/1405233780.db2.gz FDRVAQMTEVMGGL-CRAIPNDOSA-N 2 0 344.459 2.167 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCOCC1 ZINC001699112598 1405268653 /nfs/dbraw/zinc/26/86/53/1405268653.db2.gz MRTRLDQBDKIFJM-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP COc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001699114493 1405269398 /nfs/dbraw/zinc/26/93/98/1405269398.db2.gz GLBZYWBTCWWPEE-QFBILLFUSA-N 2 0 347.503 2.206 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C/CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001699279343 1405311829 /nfs/dbraw/zinc/31/18/29/1405311829.db2.gz FGKZVAIZVIBRBM-NSCUHMNNSA-N 2 0 341.499 2.428 10 0 EEAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001699843815 1405522941 /nfs/dbraw/zinc/52/29/41/1405522941.db2.gz FOFMRQGQCRCLNQ-ZWKOTPCHSA-N 2 0 327.488 2.437 10 0 EEAERP COC[C@@H](C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000930129687 770721499 /nfs/dbraw/zinc/72/14/99/770721499.db2.gz BBEPDUSCQCWEAD-GOSISDBHSA-N 2 0 325.541 2.395 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)nc2Cl)CC[NH2+]CC1 ZINC000925768223 773940616 /nfs/dbraw/zinc/94/06/16/773940616.db2.gz ZACZVOWEOLTWDK-ZDUSSCGKSA-N 2 0 339.867 2.454 10 0 EEAERP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806183 777281014 /nfs/dbraw/zinc/28/10/14/777281014.db2.gz BDMAXRGPFLFWGY-IAGOWNOFSA-N 2 0 330.538 2.492 10 0 EEAERP COC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(Cl)c1F ZINC000925817201 778003221 /nfs/dbraw/zinc/00/32/21/778003221.db2.gz OEUQTFJSIOJGJK-OAHLLOKOSA-N 2 0 329.847 2.179 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925839415 779287753 /nfs/dbraw/zinc/28/77/53/779287753.db2.gz QYOOVYYPTMCFTI-DGCLKSJQSA-N 2 0 327.270 2.112 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000809948305 783548829 /nfs/dbraw/zinc/54/88/29/783548829.db2.gz YWDOMKABBUOART-XLIONFOSSA-N 2 0 349.494 2.488 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000907503242 784681320 /nfs/dbraw/zinc/68/13/20/784681320.db2.gz PHTSXPLFNBMCOZ-GOSISDBHSA-N 2 0 327.472 2.109 10 0 EEAERP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000819083948 785394024 /nfs/dbraw/zinc/39/40/24/785394024.db2.gz IQYXJHIWFRQCSP-KDOFPFPSSA-N 2 0 338.879 2.464 10 0 EEAERP Cc1cc(C)c(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000913438528 788874483 /nfs/dbraw/zinc/87/44/83/788874483.db2.gz ZBSBUEPLHOYVDS-HZPDHXFCSA-N 2 0 337.533 2.105 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CC3CCC2CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000923329114 789373483 /nfs/dbraw/zinc/37/34/83/789373483.db2.gz OWCZGKIJAUMCIM-ZBABMDLNSA-N 2 0 333.520 2.393 10 0 EEAERP CC1(C)Cc2nc(CN3CC[NH2+]CC[NH2+]CC3)sc2C(C)(C)C1 ZINC000923459485 789579133 /nfs/dbraw/zinc/57/91/33/789579133.db2.gz CLODINILVPGHBL-UHFFFAOYSA-N 2 0 336.549 2.388 10 0 EEAERP COc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1SC(F)(F)F ZINC000923461477 789595751 /nfs/dbraw/zinc/59/57/51/789595751.db2.gz OVMFMSCPVKFFKJ-UHFFFAOYSA-N 2 0 349.422 2.302 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499158 789681692 /nfs/dbraw/zinc/68/16/92/789681692.db2.gz KQTKGRDNLZRMJC-JKSUJKDBSA-N 2 0 335.517 2.202 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923511161 789697513 /nfs/dbraw/zinc/69/75/13/789697513.db2.gz ZXKKEKFWTGCAOJ-NEPJUHHUSA-N 2 0 340.265 2.304 10 0 EEAERP O=c1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc[nH]1 ZINC000922057045 798784931 /nfs/dbraw/zinc/78/49/31/798784931.db2.gz DWTCDPVGBHDURF-SFHVURJKSA-N 2 0 327.428 2.168 10 0 EEAERP Cn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C2CCCC2)n1 ZINC000922097940 798905699 /nfs/dbraw/zinc/90/56/99/798905699.db2.gz DZMYSDIISSCUEO-UHFFFAOYSA-N 2 0 333.524 2.193 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001566460920 1125620211 /nfs/dbraw/zinc/62/02/11/1125620211.db2.gz HJITVOPOCRVDKX-UHFFFAOYSA-N 2 0 332.492 2.121 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cncs1 ZINC001566576363 1125757164 /nfs/dbraw/zinc/75/71/64/1125757164.db2.gz LSOHIHJOERJNBY-HUUCEWRRSA-N 2 0 338.521 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cncs1 ZINC001566576361 1125758634 /nfs/dbraw/zinc/75/86/34/1125758634.db2.gz LSOHIHJOERJNBY-GASCZTMLSA-N 2 0 338.521 2.344 10 0 EEAERP COc1ccccc1CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001436482056 1087967372 /nfs/dbraw/zinc/96/73/72/1087967372.db2.gz UBVPAFIFELQVRI-AEFFLSMTSA-N 2 0 347.503 2.159 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@@H](OC)C2CCC2)CC1)[NH+](C)C ZINC001436677862 1088128720 /nfs/dbraw/zinc/12/87/20/1088128720.db2.gz WUDWZUMFCGIIET-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)CCO1 ZINC001436916618 1088577453 /nfs/dbraw/zinc/57/74/53/1088577453.db2.gz SVYXCXIJMMYRNE-YYIAUSFCSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C2)on1 ZINC001436961444 1088649583 /nfs/dbraw/zinc/64/95/83/1088649583.db2.gz VBZHOPUDVYEGRR-IYBDPMFKSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001437058051 1088953544 /nfs/dbraw/zinc/95/35/44/1088953544.db2.gz GUMGHEHPJDQTCK-JKSUJKDBSA-N 2 0 348.466 2.033 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001437058720 1088957778 /nfs/dbraw/zinc/95/77/78/1088957778.db2.gz KOTYWNKGJFQENJ-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP CC[C@H](F)C[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001437088800 1089039171 /nfs/dbraw/zinc/03/91/71/1089039171.db2.gz KCWICXBWENEONJ-FHERZECASA-N 2 0 325.472 2.380 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC001437202048 1089263561 /nfs/dbraw/zinc/26/35/61/1089263561.db2.gz PZKZEYSDAFZCBY-XUJVJEKNSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2s1 ZINC001437260340 1089402247 /nfs/dbraw/zinc/40/22/47/1089402247.db2.gz LJYOMQZRJUXGFD-UKRRQHHQSA-N 2 0 331.485 2.447 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001437262470 1089404498 /nfs/dbraw/zinc/40/44/98/1089404498.db2.gz PCRIPXVBBWYEBD-YVEFUNNKSA-N 2 0 339.430 2.387 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437383733 1089634033 /nfs/dbraw/zinc/63/40/33/1089634033.db2.gz MSVFXBJYGZKKSL-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001437902733 1090483046 /nfs/dbraw/zinc/48/30/46/1090483046.db2.gz IFWKSUDJWLKKBH-ZWKOTPCHSA-N 2 0 344.503 2.155 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001437928952 1090522118 /nfs/dbraw/zinc/52/21/18/1090522118.db2.gz HBYRVMHTEZURCP-CRAIPNDOSA-N 2 0 348.466 2.033 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001438050179 1090619597 /nfs/dbraw/zinc/61/95/97/1090619597.db2.gz OPWVUEKOLXIQCR-KRWDZBQOSA-N 2 0 339.499 2.437 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001438246042 1090728308 /nfs/dbraw/zinc/72/83/08/1090728308.db2.gz MDQHUGSNNOAXKW-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ncc(C)s1 ZINC001438308184 1090786014 /nfs/dbraw/zinc/78/60/14/1090786014.db2.gz WQJAERLFIDDBSH-LSDHHAIUSA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cnc(C)s1 ZINC001438378357 1090860490 /nfs/dbraw/zinc/86/04/90/1090860490.db2.gz SKLMEDJYDFWSDW-HNNXBMFYSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)sn1 ZINC001438387979 1090874456 /nfs/dbraw/zinc/87/44/56/1090874456.db2.gz ZAZCLUYDMUAAJU-HNNXBMFYSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1cccc(C[NH2+]C[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001438427239 1090924538 /nfs/dbraw/zinc/92/45/38/1090924538.db2.gz UNCNPFFBAADSRG-FQEVSTJZSA-N 2 0 341.499 2.465 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438723953 1091253034 /nfs/dbraw/zinc/25/30/34/1091253034.db2.gz RZOGHBOQSSPTSI-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](CC(C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC001438725303 1091256586 /nfs/dbraw/zinc/25/65/86/1091256586.db2.gz CSXAXTQJCVRRBL-HNNXBMFYSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001438845307 1091481726 /nfs/dbraw/zinc/48/17/26/1091481726.db2.gz GHTXUGCTOUKYCQ-RBUKOAKNSA-N 2 0 346.519 2.432 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001438856535 1091492121 /nfs/dbraw/zinc/49/21/21/1091492121.db2.gz SHQXPWDUCPGFTP-IAGOWNOFSA-N 2 0 349.523 2.132 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)cc1F ZINC001445825028 1091709841 /nfs/dbraw/zinc/70/98/41/1091709841.db2.gz TXEQNLCOGCHEEA-GDBMZVCRSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1Cl)[NH+](C)C ZINC001439165220 1091810513 /nfs/dbraw/zinc/81/05/13/1091810513.db2.gz CCBXRFVFYIBHCZ-IAQYHMDHSA-N 2 0 329.847 2.414 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001439234274 1091880716 /nfs/dbraw/zinc/88/07/16/1091880716.db2.gz DPOQZKWJRVTIBA-QFBILLFUSA-N 2 0 329.488 2.240 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C(Cl)=C\Cl)C1CC1 ZINC001445948100 1091888627 /nfs/dbraw/zinc/88/86/27/1091888627.db2.gz FBSZHRWZXUQRMV-DXIMFJFMSA-N 2 0 334.291 2.274 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439246685 1091897012 /nfs/dbraw/zinc/89/70/12/1091897012.db2.gz VLRROQDUXJKHLQ-XJKSGUPXSA-N 2 0 335.879 2.276 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)CCC[NH+](C)C ZINC001439253019 1091902815 /nfs/dbraw/zinc/90/28/15/1091902815.db2.gz AXGRKGSRGUGJGY-SJCJKPOMSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001439262708 1091915649 /nfs/dbraw/zinc/91/56/49/1091915649.db2.gz CJJFUFYTHCUEHB-KRWDZBQOSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439284267 1091942932 /nfs/dbraw/zinc/94/29/32/1091942932.db2.gz YZAREUIVHHJQJZ-WMLDXEAASA-N 2 0 332.492 2.059 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccc(CF)cc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001445985149 1091950759 /nfs/dbraw/zinc/95/07/59/1091950759.db2.gz ADBZLZZAFOEFJB-SFHVURJKSA-N 2 0 345.462 2.236 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445988231 1091956924 /nfs/dbraw/zinc/95/69/24/1091956924.db2.gz GWRNVGBMGIBSMM-HNAYVOBHSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1F)C1CC1)[NH+](C)C ZINC001445996320 1091971816 /nfs/dbraw/zinc/97/18/16/1091971816.db2.gz WMHAFORZZPIKHL-DLBZAZTESA-N 2 0 339.430 2.289 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ocnc2C)C2CC2)C1 ZINC001439475063 1092269391 /nfs/dbraw/zinc/26/93/91/1092269391.db2.gz VDNOMMQGCZAIAD-IAGOWNOFSA-N 2 0 348.491 2.089 10 0 EEAERP O=C(NCC1([NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001446248771 1092370559 /nfs/dbraw/zinc/37/05/59/1092370559.db2.gz BZLMMTNIHBWOGL-CABCVRRESA-N 2 0 341.446 2.287 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCc3ccccc3F)CC2)CC[N@@H+]1C ZINC001439606560 1092514044 /nfs/dbraw/zinc/51/40/44/1092514044.db2.gz GOUXCXUZYAYTHB-FUHWJXTLSA-N 2 0 347.478 2.337 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001446335757 1092545206 /nfs/dbraw/zinc/54/52/06/1092545206.db2.gz UTDKKWNYQFHOPT-WMZOPIPTSA-N 2 0 339.499 2.391 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccc(CF)cc3)CC2)C1 ZINC001439662122 1092598624 /nfs/dbraw/zinc/59/86/24/1092598624.db2.gz RIATWFSQUXFZMW-KRWDZBQOSA-N 2 0 333.451 2.236 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC001439666623 1092604998 /nfs/dbraw/zinc/60/49/98/1092604998.db2.gz GTNYHHMNXRQTBR-QGZVFWFLSA-N 2 0 341.499 2.126 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)s1 ZINC001439813742 1092785826 /nfs/dbraw/zinc/78/58/26/1092785826.db2.gz IDCVRRNEHRXOAD-MRXNPFEDSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001439863690 1092894092 /nfs/dbraw/zinc/89/40/92/1092894092.db2.gz DCUODLHQTFNCDB-XLIONFOSSA-N 2 0 344.503 2.121 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCC1(F)F)[NH+]1CCCC1 ZINC001439971810 1093088056 /nfs/dbraw/zinc/08/80/56/1093088056.db2.gz LASMJGLCQZAGQY-OAHLLOKOSA-N 2 0 343.462 2.344 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001439972994 1093088630 /nfs/dbraw/zinc/08/86/30/1093088630.db2.gz HTTBXNDQMZEUIU-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001439973003 1093089009 /nfs/dbraw/zinc/08/90/09/1093089009.db2.gz HTTBXNDQMZEUIU-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cccnc1C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001448381560 1093358268 /nfs/dbraw/zinc/35/82/68/1093358268.db2.gz BMHSEXRJGDAUEH-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001448471026 1093484690 /nfs/dbraw/zinc/48/46/90/1093484690.db2.gz NIHPPPOXRGYULQ-KZNAEPCWSA-N 2 0 344.503 2.140 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc3ccccc3o2)C1)[NH+](C)C ZINC001448501075 1093528315 /nfs/dbraw/zinc/52/83/15/1093528315.db2.gz IKNBCNMCRXMQBQ-IIAWOOMASA-N 2 0 344.459 2.152 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1c1ccccc1 ZINC001440377560 1093545369 /nfs/dbraw/zinc/54/53/69/1093545369.db2.gz XKWFAHSKYDKBTB-OKZBNKHCSA-N 2 0 335.467 2.270 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnccc2C)[C@@H]1CC)[NH+](C)C ZINC001440455925 1093672258 /nfs/dbraw/zinc/67/22/58/1093672258.db2.gz UEONNSPETINOHN-KSZLIROESA-N 2 0 332.492 2.199 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC001448656460 1093723764 /nfs/dbraw/zinc/72/37/64/1093723764.db2.gz SHQBXPKZOUPKAU-UWWQBHOKSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)NCc1cc(C(C)(C)C)on1 ZINC001448662923 1093730622 /nfs/dbraw/zinc/73/06/22/1093730622.db2.gz OOPMGAQDBVAIRO-HIFRSBDPSA-N 2 0 336.480 2.003 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001440500608 1093740741 /nfs/dbraw/zinc/74/07/41/1093740741.db2.gz WGIYRVIGMAWCHD-CJNGLKHVSA-N 2 0 338.521 2.181 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001448677477 1093743813 /nfs/dbraw/zinc/74/38/13/1093743813.db2.gz JIQMTFKVUGWAIS-QAPCUYQASA-N 2 0 348.491 2.327 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]C[C@@H]2CCOC2)CC1 ZINC001440540369 1093808057 /nfs/dbraw/zinc/80/80/57/1093808057.db2.gz STBRHFOZNYMXCX-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001440563123 1093831151 /nfs/dbraw/zinc/83/11/51/1093831151.db2.gz UGIPXUFPFRVGHP-RBUKOAKNSA-N 2 0 347.503 2.329 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001440592138 1093857866 /nfs/dbraw/zinc/85/78/66/1093857866.db2.gz QJLAQTKLFASWGQ-APWZRJJASA-N 2 0 331.504 2.180 10 0 EEAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1)OC ZINC001440612107 1093879341 /nfs/dbraw/zinc/87/93/41/1093879341.db2.gz AFRCUARZGRMTIM-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1cncs1 ZINC001440795133 1094036418 /nfs/dbraw/zinc/03/64/18/1094036418.db2.gz DMWZNBWHMMXJJD-UONOGXRCSA-N 2 0 336.505 2.002 10 0 EEAERP COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001449051989 1094066800 /nfs/dbraw/zinc/06/68/00/1094066800.db2.gz XMWBIDQNPFZXGH-NVXWUHKLSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001449065923 1094081200 /nfs/dbraw/zinc/08/12/00/1094081200.db2.gz WKIFGWHBWAQTRX-HUUCEWRRSA-N 2 0 336.480 2.124 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001440839008 1094092923 /nfs/dbraw/zinc/09/29/23/1094092923.db2.gz PAWYQWSJIODXOE-HUUCEWRRSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)Cc1ccc(F)cc1 ZINC001440921442 1094175502 /nfs/dbraw/zinc/17/55/02/1094175502.db2.gz DMNSDPOJKGWNSC-KDOFPFPSSA-N 2 0 333.451 2.104 10 0 EEAERP Cc1cc(CN(C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001441042712 1094338854 /nfs/dbraw/zinc/33/88/54/1094338854.db2.gz ZIHFVEPDGCFXKN-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1)[NH+](CC)CC ZINC001449395570 1094372738 /nfs/dbraw/zinc/37/27/38/1094372738.db2.gz VKARTNQYPMGGOH-ABHNRTSZSA-N 2 0 332.492 2.281 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)CC1(C)C ZINC001441254668 1094652382 /nfs/dbraw/zinc/65/23/82/1094652382.db2.gz MTSFZZKDKFUMQD-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1cccc(C[NH2+][C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001441271159 1094683356 /nfs/dbraw/zinc/68/33/56/1094683356.db2.gz SFXLGYHQHUGQKI-LJQANCHMSA-N 2 0 341.499 2.329 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC001441335216 1094807971 /nfs/dbraw/zinc/80/79/71/1094807971.db2.gz GHLJWJZZCNJKSQ-RCCFBDPRSA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001441392937 1094954833 /nfs/dbraw/zinc/95/48/33/1094954833.db2.gz IPCJASLHOACIAR-QAPCUYQASA-N 2 0 325.472 2.143 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC001441441353 1095064284 /nfs/dbraw/zinc/06/42/84/1095064284.db2.gz XVUYUJPDJCBILK-DLBZAZTESA-N 2 0 335.517 2.477 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001441490100 1095167074 /nfs/dbraw/zinc/16/70/74/1095167074.db2.gz SEGSVEVWYJZIDO-OIISXLGYSA-N 2 0 345.487 2.477 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+]1CCCCC1 ZINC001441551513 1095282887 /nfs/dbraw/zinc/28/28/87/1095282887.db2.gz UIGQFKNBFFCUTI-NXOAAHMSSA-N 2 0 327.488 2.482 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001441597326 1095440131 /nfs/dbraw/zinc/44/01/31/1095440131.db2.gz UCNLIOXNBDREQN-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP CN(C)c1cccc(C[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001441610784 1095470944 /nfs/dbraw/zinc/47/09/44/1095470944.db2.gz PGVBQURXROOIGE-GOSISDBHSA-N 2 0 346.519 2.033 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)C[C@H]21)[NH+](C)C ZINC001441700098 1095683121 /nfs/dbraw/zinc/68/31/21/1095683121.db2.gz ZTMVDXXLHSXHBC-PHAGKYIGSA-N 2 0 345.462 2.200 10 0 EEAERP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC001441767021 1095765021 /nfs/dbraw/zinc/76/50/21/1095765021.db2.gz PAPQPEVQRQADAW-UHFFFAOYSA-N 2 0 331.460 2.480 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)cc1F ZINC001441783643 1095790090 /nfs/dbraw/zinc/79/00/90/1095790090.db2.gz GOLACXVUOVPHMC-ABAIWWIYSA-N 2 0 327.831 2.168 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001441848232 1095931058 /nfs/dbraw/zinc/93/10/58/1095931058.db2.gz XPTYTEPPJAOSCY-QFBILLFUSA-N 2 0 344.503 2.391 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001441899438 1096053991 /nfs/dbraw/zinc/05/39/91/1096053991.db2.gz MVLDXCZWRIEJDC-LSDHHAIUSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001441934746 1096126631 /nfs/dbraw/zinc/12/66/31/1096126631.db2.gz XWDQWVZKHCPLIA-GJZGRUSLSA-N 2 0 325.472 2.190 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc2cccnc21 ZINC001441953364 1096153914 /nfs/dbraw/zinc/15/39/14/1096153914.db2.gz RHYLUJNXGVZYRA-HOTGVXAUSA-N 2 0 340.471 2.171 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)COC2CC[NH+](C)CC2)c(C)c1 ZINC001441980439 1096184153 /nfs/dbraw/zinc/18/41/53/1096184153.db2.gz LMYBKWJSSMDFNW-QGZVFWFLSA-N 2 0 347.503 2.009 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnc(-c2ccccc2)o1 ZINC001442058401 1096270183 /nfs/dbraw/zinc/27/01/83/1096270183.db2.gz YUDWFXYUZZLICK-HNNXBMFYSA-N 2 0 342.443 2.032 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001442072689 1096286118 /nfs/dbraw/zinc/28/61/18/1096286118.db2.gz ZDVBLDRSLYZKAY-APWZRJJASA-N 2 0 346.519 2.495 10 0 EEAERP CO[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001442209452 1096497329 /nfs/dbraw/zinc/49/73/29/1096497329.db2.gz HMLWMICSBWYIEM-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](F)CC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001442216782 1096509533 /nfs/dbraw/zinc/50/95/33/1096509533.db2.gz FHISKGNVSCGIBI-GJZGRUSLSA-N 2 0 327.488 2.293 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001442249056 1096550444 /nfs/dbraw/zinc/55/04/44/1096550444.db2.gz GZJFXRANZWFCDM-UHFFFAOYSA-N 2 0 328.460 2.199 10 0 EEAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001442303031 1096617633 /nfs/dbraw/zinc/61/76/33/1096617633.db2.gz BSXPSHIBXNOPEP-IAGOWNOFSA-N 2 0 332.492 2.331 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001442317106 1096635531 /nfs/dbraw/zinc/63/55/31/1096635531.db2.gz GFZOCXLCYMHTEK-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442616277 1096986674 /nfs/dbraw/zinc/98/66/74/1096986674.db2.gz ZYEPFLZIHJKNBZ-RHSMWYFYSA-N 2 0 335.879 2.327 10 0 EEAERP CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001443090659 1097505270 /nfs/dbraw/zinc/50/52/70/1097505270.db2.gz VPKXFAUMKMKSPE-DLBZAZTESA-N 2 0 337.414 2.094 10 0 EEAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001443319146 1097806159 /nfs/dbraw/zinc/80/61/59/1097806159.db2.gz ANPBSIZFQDHHLI-MRXNPFEDSA-N 2 0 325.472 2.002 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCC1CCOCC1 ZINC001443919970 1098440822 /nfs/dbraw/zinc/44/08/22/1098440822.db2.gz SCGUMHCNYKYWOG-QZTJIDSGSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001444027983 1098546377 /nfs/dbraw/zinc/54/63/77/1098546377.db2.gz FJIXCWVQNSDXPK-AEFFLSMTSA-N 2 0 349.523 2.099 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC001479489113 1098562018 /nfs/dbraw/zinc/56/20/18/1098562018.db2.gz IGZXXRGNHSTGRL-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC1CCC1)[NH+](C)C ZINC001479566597 1098611948 /nfs/dbraw/zinc/61/19/48/1098611948.db2.gz BXRDCTAGLHJJBS-SOLBZPMBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001479573727 1098616163 /nfs/dbraw/zinc/61/61/63/1098616163.db2.gz XOCFBNFUJBWDTJ-QAPCUYQASA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@H]2CCO[C@H](C)C2)CCCC1 ZINC001444086573 1098617158 /nfs/dbraw/zinc/61/71/58/1098617158.db2.gz GLWZYPSNHGYDSE-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001479580983 1098618085 /nfs/dbraw/zinc/61/80/85/1098618085.db2.gz MOHPCSOZVVBBCP-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1CN1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001444220472 1098781002 /nfs/dbraw/zinc/78/10/02/1098781002.db2.gz IPEQBPKFIUKFCJ-NVXWUHKLSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001479706873 1098782454 /nfs/dbraw/zinc/78/24/54/1098782454.db2.gz RXYZSGKUVVLXDR-FGTMMUONSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccccc1F ZINC001479756866 1098910255 /nfs/dbraw/zinc/91/02/55/1098910255.db2.gz FBJGEAFIPUGBIQ-SJLPKXTDSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001444387379 1098976482 /nfs/dbraw/zinc/97/64/82/1098976482.db2.gz JTTBDSCPMNGRNV-HUUCEWRRSA-N 2 0 333.451 2.324 10 0 EEAERP O=C(NC[C@H]([NH2+]CC=C(Cl)Cl)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001480020620 1099499091 /nfs/dbraw/zinc/49/90/91/1099499091.db2.gz JTUAGRIDJBAYSV-KBPBESRZSA-N 2 0 346.302 2.132 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001480022168 1099501488 /nfs/dbraw/zinc/50/14/88/1099501488.db2.gz VLTFSOXKMRTWON-QBIMZIAESA-N 2 0 333.451 2.150 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001480049338 1099556955 /nfs/dbraw/zinc/55/69/55/1099556955.db2.gz BICZJXNCGQQXEU-KSSFIOAISA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001480051026 1099559913 /nfs/dbraw/zinc/55/99/13/1099559913.db2.gz MZBGEXJNYSHDKJ-RTBURBONSA-N 2 0 344.503 2.329 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444704102 1099561195 /nfs/dbraw/zinc/56/11/95/1099561195.db2.gz FIDRTAUALXUPEN-YJBOKZPZSA-N 2 0 335.467 2.434 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001480174418 1099754845 /nfs/dbraw/zinc/75/48/45/1099754845.db2.gz VUDSWEYWRDPYOB-SHTZXODSSA-N 2 0 336.505 2.064 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)cc(F)c3)C2)CC1 ZINC001480220220 1099837713 /nfs/dbraw/zinc/83/77/13/1099837713.db2.gz IJOUCSJMPXKGKN-IYBDPMFKSA-N 2 0 337.414 2.043 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC001444899982 1099953992 /nfs/dbraw/zinc/95/39/92/1099953992.db2.gz IOBCXCHHCVLAGE-SFHVURJKSA-N 2 0 342.487 2.417 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480297361 1100012525 /nfs/dbraw/zinc/01/25/25/1100012525.db2.gz IQANMRXEDHUZIA-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001480358999 1100130752 /nfs/dbraw/zinc/13/07/52/1100130752.db2.gz LPOSTWUGMWOXDX-IBGZPJMESA-N 2 0 345.531 2.443 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001480365555 1100140033 /nfs/dbraw/zinc/14/00/33/1100140033.db2.gz GXIXMZKUSVDYRI-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001445032599 1100202387 /nfs/dbraw/zinc/20/23/87/1100202387.db2.gz PUGPLCQIJFPHCB-UHFFFAOYSA-N 2 0 342.487 2.400 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCCCCF)CC2)C1 ZINC001480407652 1100222411 /nfs/dbraw/zinc/22/24/11/1100222411.db2.gz BKXITCVNUTYVFH-GTPINHCMSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccon2)CC1)[NH+](CC)CC ZINC001480408466 1100224195 /nfs/dbraw/zinc/22/41/95/1100224195.db2.gz SRGJDYAFYODCIC-DQPZFDDXSA-N 2 0 336.480 2.312 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)oc1C ZINC001445114837 1100357257 /nfs/dbraw/zinc/35/72/57/1100357257.db2.gz ORDWIQYAHPGCJI-HOTGVXAUSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496208246 1100750154 /nfs/dbraw/zinc/75/01/54/1100750154.db2.gz VWMNGUJTSFNBSP-NVXWUHKLSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1csc(Cl)n1 ZINC001496360352 1100953942 /nfs/dbraw/zinc/95/39/42/1100953942.db2.gz HLIPPKYTZJSONX-WCQYABFASA-N 2 0 344.912 2.075 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446570370 1101055776 /nfs/dbraw/zinc/05/57/76/1101055776.db2.gz LFKUDGGLACETDH-ICSRJNTNSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1cccnc1C[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001495424893 1101142570 /nfs/dbraw/zinc/14/25/70/1101142570.db2.gz AESZVHGQSHOZNX-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cnc(C)cn2)CC1 ZINC001495474369 1101185789 /nfs/dbraw/zinc/18/57/89/1101185789.db2.gz IJULVBDJEGLHJL-BRWVUGGUSA-N 2 0 347.507 2.205 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnc(C)cn2)CC1 ZINC001495474370 1101185845 /nfs/dbraw/zinc/18/58/45/1101185845.db2.gz IJULVBDJEGLHJL-ULQDDVLXSA-N 2 0 347.507 2.205 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446682644 1101235114 /nfs/dbraw/zinc/23/51/14/1101235114.db2.gz SLIWORIVZOBXDF-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001495589230 1101294031 /nfs/dbraw/zinc/29/40/31/1101294031.db2.gz PLPFGIJNWWLBIL-QGZVFWFLSA-N 2 0 335.467 2.291 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001495817319 1101637553 /nfs/dbraw/zinc/63/75/53/1101637553.db2.gz YHSTXEIJVSVKMC-HOCLYGCPSA-N 2 0 338.521 2.105 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001496886130 1101667396 /nfs/dbraw/zinc/66/73/96/1101667396.db2.gz FBGFQOVGFXDVJW-QAPCUYQASA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CC[C@H]5C[C@H]5C4)C[C@@H]3C2)CC1 ZINC001446980975 1101697463 /nfs/dbraw/zinc/69/74/63/1101697463.db2.gz JYRXRHXDTXKLEI-ZRSRNVLSSA-N 2 0 345.531 2.155 10 0 EEAERP CCc1ccc(C[N@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)cc1 ZINC001446982106 1101699245 /nfs/dbraw/zinc/69/92/45/1101699245.db2.gz TXGGOEAHENBUGF-KDURUIRLSA-N 2 0 329.488 2.091 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001447153951 1102097184 /nfs/dbraw/zinc/09/71/84/1102097184.db2.gz JUKKOQQCJVIKLC-OAHLLOKOSA-N 2 0 335.467 2.361 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497296182 1102269780 /nfs/dbraw/zinc/26/97/80/1102269780.db2.gz BAPSSJGRRAQTDO-INIZCTEOSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001497296152 1102270496 /nfs/dbraw/zinc/27/04/96/1102270496.db2.gz ASVDPHLMTXIIAE-KRWDZBQOSA-N 2 0 332.492 2.106 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001447371056 1102545508 /nfs/dbraw/zinc/54/55/08/1102545508.db2.gz OGQGKBCFSGYBKF-HKUYNNGSSA-N 2 0 346.519 2.482 10 0 EEAERP C[C@H](F)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001447426206 1102633151 /nfs/dbraw/zinc/63/31/51/1102633151.db2.gz DBSPYNNDZFZRQQ-LPHOPBHVSA-N 2 0 347.478 2.373 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001497585710 1102703254 /nfs/dbraw/zinc/70/32/54/1102703254.db2.gz NCRXKLQLADMDHI-ASUCWZOMSA-N 2 0 329.435 2.024 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]C/C=C\c2ccccc2)CCC1 ZINC001497595431 1102721279 /nfs/dbraw/zinc/72/12/79/1102721279.db2.gz DPALRAQESYTXRD-IJDSZTBYSA-N 2 0 327.472 2.446 10 0 EEAERP CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001447701292 1103136594 /nfs/dbraw/zinc/13/65/94/1103136594.db2.gz CZRWYAMZBKHJOJ-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)sc1C ZINC001497878840 1103245643 /nfs/dbraw/zinc/24/56/43/1103245643.db2.gz WLWGBTUIHZPKGN-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001494078558 1103484887 /nfs/dbraw/zinc/48/48/87/1103484887.db2.gz KRQNIYFZTAAXGG-MRXNPFEDSA-N 2 0 333.451 2.250 10 0 EEAERP C[N@H+](CCc1ccccc1F)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494118502 1103549312 /nfs/dbraw/zinc/54/93/12/1103549312.db2.gz FWKYFWSETYLFBS-LPHOPBHVSA-N 2 0 347.478 2.243 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC[C@@H]2CCCCO2)C1 ZINC001494178046 1103649679 /nfs/dbraw/zinc/64/96/79/1103649679.db2.gz FPORBHWUVQAEPQ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494180998 1103658097 /nfs/dbraw/zinc/65/80/97/1103658097.db2.gz OZLDYAQGRFGEMC-LSDHHAIUSA-N 2 0 349.441 2.451 10 0 EEAERP Cc1cncc(C[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001447976790 1103720923 /nfs/dbraw/zinc/72/09/23/1103720923.db2.gz FSUUJICISVQEPB-QGZVFWFLSA-N 2 0 346.519 2.306 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccnc1)[NH+]1CCCCCC1 ZINC001448097029 1103994363 /nfs/dbraw/zinc/99/43/63/1103994363.db2.gz FPLPGVHKELTNLV-DLBZAZTESA-N 2 0 332.492 2.283 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC001494626187 1104210829 /nfs/dbraw/zinc/21/08/29/1104210829.db2.gz UBRLVYYOJOSOPT-GOSISDBHSA-N 2 0 347.890 2.471 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC001448237433 1104228544 /nfs/dbraw/zinc/22/85/44/1104228544.db2.gz RZLHIHJTDSDZJZ-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCCCCC1 ZINC001494950048 1104595184 /nfs/dbraw/zinc/59/51/84/1104595184.db2.gz PTKSOTWZAMNDHA-SJLPKXTDSA-N 2 0 339.524 2.304 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc2cc(C)no2)C1 ZINC001495042496 1104682331 /nfs/dbraw/zinc/68/23/31/1104682331.db2.gz TWUPOADOWDWCHX-HOTGVXAUSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001480598035 1106736754 /nfs/dbraw/zinc/73/67/54/1106736754.db2.gz XZBMIZLJOZTRNW-IAGOWNOFSA-N 2 0 331.504 2.226 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480674614 1106860098 /nfs/dbraw/zinc/86/00/98/1106860098.db2.gz TWBVOXRREYWJDQ-RTBURBONSA-N 2 0 329.488 2.009 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001480675901 1106863250 /nfs/dbraw/zinc/86/32/50/1106863250.db2.gz KACHLENXEFJRGU-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001480769215 1107080896 /nfs/dbraw/zinc/08/08/96/1107080896.db2.gz NPNHSBMZPNPOFL-SJLPKXTDSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@H]2CCCNC(=O)CC[NH+](C)C)oc1C ZINC001480830561 1107221443 /nfs/dbraw/zinc/22/14/43/1107221443.db2.gz LYSMXAYIQCUICF-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP CC[N@H+](CCNC(=O)CCc1cncn1C)CC1CC2(CCC2)C1 ZINC001493051816 1107401789 /nfs/dbraw/zinc/40/17/89/1107401789.db2.gz YWIYJZQTINUNAN-UHFFFAOYSA-N 2 0 332.492 2.371 10 0 EEAERP COc1cc(Cl)ccc1C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498394790 1107447251 /nfs/dbraw/zinc/44/72/51/1107447251.db2.gz MCOXGAYGCWHQMS-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001493210182 1107687334 /nfs/dbraw/zinc/68/73/34/1107687334.db2.gz HCZJJKPKNJUZJG-CRAIPNDOSA-N 2 0 348.466 2.033 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001498557101 1107715313 /nfs/dbraw/zinc/71/53/13/1107715313.db2.gz YTGOFAZRDGVMBU-HZPDHXFCSA-N 2 0 336.480 2.357 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1Cl)C(=O)CC[NH+](C)C ZINC001498605983 1107798262 /nfs/dbraw/zinc/79/82/62/1107798262.db2.gz FQGFLNXKBOIVBM-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccncc2Cl)C1 ZINC001498613495 1107810676 /nfs/dbraw/zinc/81/06/76/1107810676.db2.gz SAWNSSANGKTNDA-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)s1 ZINC001493547519 1108295039 /nfs/dbraw/zinc/29/50/39/1108295039.db2.gz URCQQUIWACDUNH-HNNXBMFYSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CC2CCC3(CC3)CC2)C1 ZINC001499066687 1108532963 /nfs/dbraw/zinc/53/29/63/1108532963.db2.gz NJJLWEMTIOMUGN-WMZOPIPTSA-N 2 0 333.520 2.489 10 0 EEAERP CS[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC001457737743 1109749774 /nfs/dbraw/zinc/74/97/74/1109749774.db2.gz BTDUXLOMANUVBT-MHORFTMASA-N 2 0 347.528 2.183 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001464874922 1110406244 /nfs/dbraw/zinc/40/62/44/1110406244.db2.gz UTANZRQRAVGBBT-HKUYNNGSSA-N 2 0 331.504 2.255 10 0 EEAERP CCc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)Cn2ccnc2)cc1 ZINC001479276150 1110674739 /nfs/dbraw/zinc/67/47/39/1110674739.db2.gz VAUROVOFDIDSLH-SFHVURJKSA-N 2 0 326.444 2.178 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cncs2)CC1 ZINC001499275060 1112212383 /nfs/dbraw/zinc/21/23/83/1112212383.db2.gz INQMPMYOQUIPPM-OAHLLOKOSA-N 2 0 336.505 2.002 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001499922703 1112542613 /nfs/dbraw/zinc/54/26/13/1112542613.db2.gz HZFNNXUCTIHLHD-PXNSSMCTSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1cc(C[NH+]2CCC(C)(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)on1 ZINC001500013116 1112579766 /nfs/dbraw/zinc/57/97/66/1112579766.db2.gz RYCCDICGOSCMMB-HZPDHXFCSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCOCC2)C1 ZINC001500586602 1112957477 /nfs/dbraw/zinc/95/74/77/1112957477.db2.gz BPKUYEZRLHIWRS-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501607643 1113398166 /nfs/dbraw/zinc/39/81/66/1113398166.db2.gz LFFOVBFARPQTHB-KRWDZBQOSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)OCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001502791898 1113801858 /nfs/dbraw/zinc/80/18/58/1113801858.db2.gz UBFKNVKPNSXLNZ-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502986229 1113866815 /nfs/dbraw/zinc/86/68/15/1113866815.db2.gz JZOCEYZFVKBUQS-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCC1CCOCC1 ZINC001502986595 1113867898 /nfs/dbraw/zinc/86/78/98/1113867898.db2.gz KZZXHAUOOUVGAM-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC001505684377 1114129971 /nfs/dbraw/zinc/12/99/71/1114129971.db2.gz AOKVXDRHTKMCHR-RYUDHWBXSA-N 2 0 329.847 2.414 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505710366 1114145131 /nfs/dbraw/zinc/14/51/31/1114145131.db2.gz POIVTQJZAYIRBJ-ZIAGYGMSSA-N 2 0 344.459 2.341 10 0 EEAERP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001505710988 1114145142 /nfs/dbraw/zinc/14/51/42/1114145142.db2.gz XSXDSIQOEDFINN-HOTGVXAUSA-N 2 0 347.503 2.271 10 0 EEAERP COc1cccc(CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001505888204 1114255502 /nfs/dbraw/zinc/25/55/02/1114255502.db2.gz YIVFRXBMNODQOX-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001506039455 1114366207 /nfs/dbraw/zinc/36/62/07/1114366207.db2.gz UOYAWEUINMOESN-WMZOPIPTSA-N 2 0 346.519 2.031 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC001506523612 1114672879 /nfs/dbraw/zinc/67/28/79/1114672879.db2.gz XZDCQZIKCCXZSM-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCC(F)(F)F)CCCCC2)C1 ZINC001506526782 1114675208 /nfs/dbraw/zinc/67/52/08/1114675208.db2.gz VEOFBDOJANOSIG-ZDUSSCGKSA-N 2 0 335.414 2.299 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCOC)C2)[NH+](CC)CC ZINC001506864597 1114932885 /nfs/dbraw/zinc/93/28/85/1114932885.db2.gz IZDLDSHGIXYQOL-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001506887242 1114951489 /nfs/dbraw/zinc/95/14/89/1114951489.db2.gz HHEAJOBYNXQJJH-JSOMCWRVSA-N 2 0 325.884 2.240 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506913781 1114968946 /nfs/dbraw/zinc/96/89/46/1114968946.db2.gz JDPWMCVGLCJJJF-XJKSGUPXSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001506921037 1114974779 /nfs/dbraw/zinc/97/47/79/1114974779.db2.gz DSDCAQIBHIQENS-YLJYHZDGSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc(F)cn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506927375 1114979824 /nfs/dbraw/zinc/97/98/24/1114979824.db2.gz HVFOYYYHSWPZDZ-RHSMWYFYSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCCCF ZINC001507091735 1115103755 /nfs/dbraw/zinc/10/37/55/1115103755.db2.gz XZYCWBNOOUWZMS-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1)[NH+]1CCCCCC1 ZINC001507128128 1115122885 /nfs/dbraw/zinc/12/28/85/1115122885.db2.gz AVPDFPYXXPOOBG-LSDHHAIUSA-N 2 0 338.521 2.344 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507155044 1115137369 /nfs/dbraw/zinc/13/73/69/1115137369.db2.gz PYJMXRPKYKJJPK-LPHOPBHVSA-N 2 0 331.504 2.180 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001507154984 1115137472 /nfs/dbraw/zinc/13/74/72/1115137472.db2.gz PJFBMAYCSBMJCB-WMZOPIPTSA-N 2 0 347.503 2.362 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001507287679 1115174908 /nfs/dbraw/zinc/17/49/08/1115174908.db2.gz AWPDTDQCVFGUJS-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)C[C@H]1C ZINC001507329485 1115195599 /nfs/dbraw/zinc/19/55/99/1115195599.db2.gz VJWOOWIFUJLSJJ-QAPCUYQASA-N 2 0 332.492 2.119 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]32)co1 ZINC001507361677 1115222399 /nfs/dbraw/zinc/22/23/99/1115222399.db2.gz NHIJUOVUSSZUKD-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508019681 1115389547 /nfs/dbraw/zinc/38/95/47/1115389547.db2.gz CUMVKNIKVPRFDT-DLBZAZTESA-N 2 0 341.540 2.406 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2F)CC[N@@H+]1C ZINC001508234970 1115456862 /nfs/dbraw/zinc/45/68/62/1115456862.db2.gz FNHGJJKHQCYAJX-DOTOQJQBSA-N 2 0 339.430 2.231 10 0 EEAERP C[C@H](Cn1c(C2CCC2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C ZINC001541848305 1124109088 /nfs/dbraw/zinc/10/90/88/1124109088.db2.gz HNOGPZRTMKSSGB-BFYDXBDKSA-N 2 0 346.523 2.169 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCc1ccccc1Cl ZINC001568209649 1124355946 /nfs/dbraw/zinc/35/59/46/1124355946.db2.gz NQEXGEZAZKRVCS-OAHLLOKOSA-N 2 0 337.895 2.320 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001568281753 1124401738 /nfs/dbraw/zinc/40/17/38/1124401738.db2.gz WFDFPJJXQUCVTD-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300147 1124411492 /nfs/dbraw/zinc/41/14/92/1124411492.db2.gz LDLSUSHMZVKMHW-ROPFJZTFSA-N 2 0 333.879 2.388 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001568397530 1124467914 /nfs/dbraw/zinc/46/79/14/1124467914.db2.gz CFPKZKFKTHVEAW-WBVHZDCISA-N 2 0 336.480 2.184 10 0 EEAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001568412138 1124480896 /nfs/dbraw/zinc/48/08/96/1124480896.db2.gz OCSKIVAEXXOTMW-IAGOWNOFSA-N 2 0 349.523 2.075 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2ocnc2C)C1 ZINC001568669904 1124684184 /nfs/dbraw/zinc/68/41/84/1124684184.db2.gz YRHGDSVZXDLADB-ZBFHGGJFSA-N 2 0 336.480 2.089 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)CC[NH+]1CCCCC1 ZINC001568800186 1124814698 /nfs/dbraw/zinc/81/46/98/1124814698.db2.gz CHEJRJPLHZALOR-UHFFFAOYSA-N 2 0 336.480 2.106 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568799812 1124814779 /nfs/dbraw/zinc/81/47/79/1124814779.db2.gz RGGLNSTZQRPGNE-OKILXGFUSA-N 2 0 336.480 2.102 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568799813 1124816189 /nfs/dbraw/zinc/81/61/89/1124816189.db2.gz RGGLNSTZQRPGNE-ZIAGYGMSSA-N 2 0 336.480 2.102 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1)C12CC[NH+](CC1)C2 ZINC001568949884 1124984788 /nfs/dbraw/zinc/98/47/88/1124984788.db2.gz GOGJKPRHYGOHFL-UPHRSURJSA-N 2 0 349.425 2.482 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569013941 1125042174 /nfs/dbraw/zinc/04/21/74/1125042174.db2.gz HXXVBFMPQUSPFP-SJLPKXTDSA-N 2 0 339.524 2.303 10 0 EEAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569233963 1125183515 /nfs/dbraw/zinc/18/35/15/1125183515.db2.gz YXDQBLYMWAGGMF-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP c1csc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)c1 ZINC000422827808 240247777 /nfs/dbraw/zinc/24/77/77/240247777.db2.gz NLJFEJFTOWBTNH-RTBURBONSA-N 2 0 349.544 2.317 10 0 EEAERP c1csc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)c1 ZINC000422827806 240248258 /nfs/dbraw/zinc/24/82/58/240248258.db2.gz NLJFEJFTOWBTNH-OALUTQOASA-N 2 0 349.544 2.317 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@H]2C)CC[NH2+]CC1 ZINC000422885251 240274329 /nfs/dbraw/zinc/27/43/29/240274329.db2.gz GPBSRRLWHCKJKT-ZACQAIPSSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422916054 240289412 /nfs/dbraw/zinc/28/94/12/240289412.db2.gz ZQOXAMKTYHDVIN-VQTJNVASSA-N 2 0 331.504 2.383 10 0 EEAERP CN([C@H](C[NH3+])c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000022172561 212280236 /nfs/dbraw/zinc/28/02/36/212280236.db2.gz UYIALXKGEMOOKH-OAHLLOKOSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C(=O)O1 ZINC000229454227 242167266 /nfs/dbraw/zinc/16/72/66/242167266.db2.gz DMRGWEPRNNEMLT-AYOQOUSVSA-N 2 0 346.471 2.068 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000447073113 242244681 /nfs/dbraw/zinc/24/46/81/242244681.db2.gz RKLGDWBAYQMBTN-UHFFFAOYSA-N 2 0 339.443 2.020 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000447821714 242321099 /nfs/dbraw/zinc/32/10/99/242321099.db2.gz MATWXEUIGCWHCH-IYBDPMFKSA-N 2 0 343.471 2.240 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453076516 243392923 /nfs/dbraw/zinc/39/29/23/243392923.db2.gz HYXLVNVHRATADW-KRWDZBQOSA-N 2 0 341.503 2.375 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000078543255 217071361 /nfs/dbraw/zinc/07/13/61/217071361.db2.gz CGZYHCHZHHZODZ-RHSMWYFYSA-N 2 0 338.471 2.458 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000495007949 247051016 /nfs/dbraw/zinc/05/10/16/247051016.db2.gz WIBNBYLPHHBOJQ-MRXNPFEDSA-N 2 0 340.471 2.394 10 0 EEAERP C[C@@H]1CC[C@@](CO)([N@H+](C)CCC[NH+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196954 247084903 /nfs/dbraw/zinc/08/49/03/247084903.db2.gz SWCWSNFQYJTANL-MKXGPGLRSA-N 2 0 326.525 2.342 10 0 EEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCOCC(F)(F)F)C1 ZINC000195276398 256008042 /nfs/dbraw/zinc/00/80/42/256008042.db2.gz OZKPZKVZLSFNQN-OAHLLOKOSA-N 2 0 331.382 2.414 10 0 EEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000190918648 256003626 /nfs/dbraw/zinc/00/36/26/256003626.db2.gz CMDJLCYADQQMPK-MUYFXNHWSA-N 2 0 340.508 2.135 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000299739469 258010279 /nfs/dbraw/zinc/01/02/79/258010279.db2.gz OUZLNUNTVGMOEY-QYZOEREBSA-N 2 0 329.488 2.484 10 0 EEAERP CCC(C)(C)NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969076 292201783 /nfs/dbraw/zinc/20/17/83/292201783.db2.gz BSNGSCMNQWXUIX-UHFFFAOYSA-N 2 0 346.519 2.325 10 0 EEAERP C[C@H]1C[N@H+](CCOc2ccc(CCNC3=[NH+]CCCN3)cc2)C[C@H]1C ZINC000263134064 152384150 /nfs/dbraw/zinc/38/41/50/152384150.db2.gz HMAGFOWXPNUKHN-CALCHBBNSA-N 2 0 344.503 2.135 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000104215296 159283238 /nfs/dbraw/zinc/28/32/38/159283238.db2.gz SBXDMIDZXQMPGL-LJQANCHMSA-N 2 0 345.487 2.009 10 0 EEAERP CCc1ccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000105862200 159310128 /nfs/dbraw/zinc/31/01/28/159310128.db2.gz YHJXPMFBLWVZPS-INIZCTEOSA-N 2 0 347.503 2.212 10 0 EEAERP C[NH+]1CCC(CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107846362 159336722 /nfs/dbraw/zinc/33/67/22/159336722.db2.gz OXUWSPWYDBYAEC-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000171673569 159761589 /nfs/dbraw/zinc/76/15/89/159761589.db2.gz UYYPBDMTLHXRDF-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)[NH+](C)C)cc1 ZINC000247203692 160314726 /nfs/dbraw/zinc/31/47/26/160314726.db2.gz LSNALJRMZLWEQD-QRQLOZEOSA-N 2 0 344.503 2.476 10 0 EEAERP C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCC[C@@H](C)C1 ZINC000247364290 160321980 /nfs/dbraw/zinc/32/19/80/160321980.db2.gz CMWQUZHNNZKFAB-VUCRHFMTSA-N 2 0 336.524 2.421 10 0 EEAERP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)NCC1CC1 ZINC000248391041 160343314 /nfs/dbraw/zinc/34/33/14/160343314.db2.gz BVVQKDBYCMVYCI-SLFFLAALSA-N 2 0 341.499 2.403 10 0 EEAERP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248408009 160344757 /nfs/dbraw/zinc/34/47/57/160344757.db2.gz VBTFOCIWZRXQKL-JZXOWHBKSA-N 2 0 334.508 2.129 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)N2CCSCC2)CC1 ZINC000343730170 161162761 /nfs/dbraw/zinc/16/27/61/161162761.db2.gz XFEFWKIUBYKYAY-HNNXBMFYSA-N 2 0 327.538 2.004 10 0 EEAERP COC(=O)[C@H](CC(C)C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000352002201 162023949 /nfs/dbraw/zinc/02/39/49/162023949.db2.gz FYPKOZWKGGCOHW-KRWDZBQOSA-N 2 0 326.481 2.151 10 0 EEAERP CC(C)[C@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274618830 269041506 /nfs/dbraw/zinc/04/15/06/269041506.db2.gz TTZSENFNGXQTNL-MSOLQXFVSA-N 2 0 330.476 2.002 10 0 EEAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179673 275063437 /nfs/dbraw/zinc/06/34/37/275063437.db2.gz HZAFDCAPUFZDSE-LJQANCHMSA-N 2 0 339.487 2.135 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170863052 276670162 /nfs/dbraw/zinc/67/01/62/276670162.db2.gz HTNSYADWAHPWSN-ZWKOTPCHSA-N 2 0 332.492 2.197 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261821234 279063639 /nfs/dbraw/zinc/06/36/39/279063639.db2.gz IJBZWWUGVNVWOK-UONOGXRCSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249944854 279345686 /nfs/dbraw/zinc/34/56/86/279345686.db2.gz YFMXFZHKYYQHLV-IAGOWNOFSA-N 2 0 347.503 2.477 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176027264 295621392 /nfs/dbraw/zinc/62/13/92/295621392.db2.gz FDGVVOFLXOHAQE-SFHVURJKSA-N 2 0 332.492 2.049 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000247497096 297098343 /nfs/dbraw/zinc/09/83/43/297098343.db2.gz USEJPUFAWAHXEQ-IXDOHACOSA-N 2 0 346.475 2.295 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000414729884 313070950 /nfs/dbraw/zinc/07/09/50/313070950.db2.gz FNRHDYUVYOUHDT-UHFFFAOYSA-N 2 0 345.491 2.092 10 0 EEAERP CC(C)C[C@H]([NH3+])CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414740292 313073967 /nfs/dbraw/zinc/07/39/67/313073967.db2.gz JVDSRGXHNWCHCB-IBGZPJMESA-N 2 0 338.584 2.488 10 0 EEAERP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414938369 313112619 /nfs/dbraw/zinc/11/26/19/313112619.db2.gz IMDLYDNNPMWHKG-IIDMSEBBSA-N 2 0 343.471 2.429 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416813070 313322926 /nfs/dbraw/zinc/32/29/26/313322926.db2.gz UCTUQIZERATROB-HKUYNNGSSA-N 2 0 330.476 2.074 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCCCCC1 ZINC000416845593 313333529 /nfs/dbraw/zinc/33/35/29/313333529.db2.gz FUMGYQZIUYPMDC-SFHVURJKSA-N 2 0 336.524 2.426 10 0 EEAERP CCN(CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416866092 313340396 /nfs/dbraw/zinc/34/03/96/313340396.db2.gz ALUUGKQGFCLVHQ-OAHLLOKOSA-N 2 0 340.418 2.199 10 0 EEAERP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C[NH3+] ZINC000416872979 313343078 /nfs/dbraw/zinc/34/30/78/313343078.db2.gz MSGCJOQQWSLMLK-QFBILLFUSA-N 2 0 344.503 2.409 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000416894177 313352067 /nfs/dbraw/zinc/35/20/67/313352067.db2.gz YJOLSPABQGPCFU-RTBURBONSA-N 2 0 344.503 2.422 10 0 EEAERP CC[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417014823 313395629 /nfs/dbraw/zinc/39/56/29/313395629.db2.gz LMIVITIZJLGISM-ATZDWAIDSA-N 2 0 344.503 2.121 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)([NH+](C)C)C1 ZINC000417210441 313450554 /nfs/dbraw/zinc/45/05/54/313450554.db2.gz DRKFGUFCINPZLC-VXIBKDFQSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418587671 313853883 /nfs/dbraw/zinc/85/38/83/313853883.db2.gz GZRSJVQZFQVLPP-WQVCFCJDSA-N 2 0 338.883 2.240 10 0 EEAERP C[NH+]1CCC(C[NH2+]C2CC3(C2)CCCCC3)(N2CCOCC2)CC1 ZINC000421389236 314095596 /nfs/dbraw/zinc/09/55/96/314095596.db2.gz XEHBIOKXYFLQNZ-UHFFFAOYSA-N 2 0 335.536 2.486 10 0 EEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433327768 314762065 /nfs/dbraw/zinc/76/20/65/314762065.db2.gz PWGHDUPAWOJOHZ-UHFFFAOYSA-N 2 0 331.464 2.175 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC000525620640 317063699 /nfs/dbraw/zinc/06/36/99/317063699.db2.gz CFXRLDLXEKIZLO-QRQLOZEOSA-N 2 0 344.503 2.235 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000527292868 317180337 /nfs/dbraw/zinc/18/03/37/317180337.db2.gz BOSXEVVDDWUKIG-UHFFFAOYSA-N 2 0 340.456 2.210 10 0 EEAERP OCc1ccc(F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000528391534 317375205 /nfs/dbraw/zinc/37/52/05/317375205.db2.gz AXJFMNBTYYJOFI-UHFFFAOYSA-N 2 0 336.451 2.395 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000561134815 318825998 /nfs/dbraw/zinc/82/59/98/318825998.db2.gz QFNCYURLDIKCMN-RDTXWAMCSA-N 2 0 348.466 2.087 10 0 EEAERP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCCCCC1 ZINC000564214504 319072988 /nfs/dbraw/zinc/07/29/88/319072988.db2.gz POVIWMBPFDSEPK-GOSISDBHSA-N 2 0 344.503 2.462 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000565550625 319193338 /nfs/dbraw/zinc/19/33/38/319193338.db2.gz RMDZPXMHCXZVLB-ZWKOTPCHSA-N 2 0 329.488 2.309 10 0 EEAERP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000566797752 319322291 /nfs/dbraw/zinc/32/22/91/319322291.db2.gz NWRAKHSFFSUUSH-WRUMOOJNSA-N 2 0 345.531 2.393 10 0 EEAERP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000566896714 319329737 /nfs/dbraw/zinc/32/97/37/319329737.db2.gz FRNSUQLRLDUZQW-QIIPPGSGSA-N 2 0 339.443 2.040 10 0 EEAERP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCC[NH2+]1 ZINC000573912496 319977755 /nfs/dbraw/zinc/97/77/55/319977755.db2.gz YDRSZCDRWSZXFC-VBNZEHGJSA-N 2 0 329.423 2.129 10 0 EEAERP C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000575178540 320093558 /nfs/dbraw/zinc/09/35/58/320093558.db2.gz HBTUMDGBMQUTMC-RHSMWYFYSA-N 2 0 332.492 2.230 10 0 EEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000581656848 324297308 /nfs/dbraw/zinc/29/73/08/324297308.db2.gz YMRPEEVPIPVJFE-CGTJXYLNSA-N 2 0 347.478 2.413 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000341186362 465040589 /nfs/dbraw/zinc/04/05/89/465040589.db2.gz UCEPMZJQQYOCEV-CZUORRHYSA-N 2 0 336.455 2.169 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)[NH+]1CCCC1 ZINC000356307887 465303686 /nfs/dbraw/zinc/30/36/86/465303686.db2.gz WEXBFKUVAAXDLP-GOSISDBHSA-N 2 0 347.507 2.115 10 0 EEAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493251 465305512 /nfs/dbraw/zinc/30/55/12/465305512.db2.gz GXBSUZVIYYZSQS-OALUTQOASA-N 2 0 330.472 2.294 10 0 EEAERP Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000088785268 462646661 /nfs/dbraw/zinc/64/66/61/462646661.db2.gz BNKUNLBQTGAWJZ-OAHLLOKOSA-N 2 0 338.471 2.330 10 0 EEAERP C[C@H](CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[S@](C)=O ZINC000090515628 462794481 /nfs/dbraw/zinc/79/44/81/462794481.db2.gz IFGCTOIBUZCGDL-ZCCHDVMBSA-N 2 0 326.506 2.435 10 0 EEAERP COc1cccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000553166599 468353355 /nfs/dbraw/zinc/35/33/55/468353355.db2.gz MWLICZSZPZASLU-QFBILLFUSA-N 2 0 345.487 2.290 10 0 EEAERP C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248633 463500125 /nfs/dbraw/zinc/50/01/25/463500125.db2.gz VMLMGPTVIOIEMP-MJGOQNOKSA-N 2 0 349.519 2.124 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000152398448 463684784 /nfs/dbraw/zinc/68/47/84/463684784.db2.gz CKOCNVOOSZRBHA-KURKYZTESA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000286969236 463757756 /nfs/dbraw/zinc/75/77/56/463757756.db2.gz BFIARRRWXFVMBZ-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000268501893 463770127 /nfs/dbraw/zinc/77/01/27/463770127.db2.gz IDOIOBWVDUZJLS-IBGZPJMESA-N 2 0 344.503 2.387 10 0 EEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000261633405 463808692 /nfs/dbraw/zinc/80/86/92/463808692.db2.gz BZWRVCRCQCIBBX-CRAIPNDOSA-N 2 0 333.451 2.281 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261775728 463856127 /nfs/dbraw/zinc/85/61/27/463856127.db2.gz XJQZJKFSCYWLQQ-GPMSIDNRSA-N 2 0 331.460 2.219 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000186215430 463953066 /nfs/dbraw/zinc/95/30/66/463953066.db2.gz HHEFGYCKQWAMEW-SFHVURJKSA-N 2 0 332.492 2.244 10 0 EEAERP CCc1nc2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172060445 463979248 /nfs/dbraw/zinc/97/92/48/463979248.db2.gz XVSJSHVTAKDSEH-GJZGRUSLSA-N 2 0 326.444 2.294 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195123584 463997154 /nfs/dbraw/zinc/99/71/54/463997154.db2.gz GGGCVXZZUUHLHT-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000195130098 463998962 /nfs/dbraw/zinc/99/89/62/463998962.db2.gz LNKGQCWRSKKWLB-MSOLQXFVSA-N 2 0 330.476 2.044 10 0 EEAERP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC000172275772 464036492 /nfs/dbraw/zinc/03/64/92/464036492.db2.gz VWWJDSYBYJZSFX-GOSISDBHSA-N 2 0 348.491 2.323 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@H](O)CC2CCCC2)(N2CCCCC2)CC1 ZINC000579827059 468418438 /nfs/dbraw/zinc/41/84/38/468418438.db2.gz FOTHJUYPGPRCCZ-LJQANCHMSA-N 2 0 337.552 2.468 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000249612386 464899434 /nfs/dbraw/zinc/89/94/34/464899434.db2.gz QBQGGYKXCBRLNF-HZPDHXFCSA-N 2 0 334.464 2.200 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000193028471 465023682 /nfs/dbraw/zinc/02/36/82/465023682.db2.gz RTFJSRHJSFQEKQ-HZPDHXFCSA-N 2 0 336.480 2.446 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000366266381 465622463 /nfs/dbraw/zinc/62/24/63/465622463.db2.gz HFYDKHHFHVCCPD-ICSRJNTNSA-N 2 0 331.504 2.209 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234173 465659217 /nfs/dbraw/zinc/65/92/17/465659217.db2.gz CGESNGZOJXTJIV-CVEARBPZSA-N 2 0 327.538 2.052 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000348866692 465847638 /nfs/dbraw/zinc/84/76/38/465847638.db2.gz ZBWVISZXYNEHMZ-QAPCUYQASA-N 2 0 327.472 2.176 10 0 EEAERP CC(C)[NH+](CCOCC[N@@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361409425 465972537 /nfs/dbraw/zinc/97/25/37/465972537.db2.gz VCUVETIBDOIUES-ROUUACIJSA-N 2 0 328.497 2.002 10 0 EEAERP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349799435 466245390 /nfs/dbraw/zinc/24/53/90/466245390.db2.gz IUIALSKICGNENK-IAGOWNOFSA-N 2 0 346.475 2.295 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000354215207 466384354 /nfs/dbraw/zinc/38/43/54/466384354.db2.gz GRZFBCOBYVPFTD-QGZVFWFLSA-N 2 0 329.488 2.425 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367613957 466448792 /nfs/dbraw/zinc/44/87/92/466448792.db2.gz GOBUVJUDIBWGJT-DZOHQFGASA-N 2 0 334.460 2.200 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367616000 466450668 /nfs/dbraw/zinc/45/06/68/466450668.db2.gz MTHXDRDIAHXFCT-GBESFXJTSA-N 2 0 325.460 2.289 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000417025169 466757568 /nfs/dbraw/zinc/75/75/68/466757568.db2.gz XTKCGMPQXODXKV-HKUYNNGSSA-N 2 0 336.524 2.282 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000417025171 466758030 /nfs/dbraw/zinc/75/80/30/466758030.db2.gz XTKCGMPQXODXKV-MJGOQNOKSA-N 2 0 336.524 2.282 10 0 EEAERP CC(C)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCC(C)CC1 ZINC000375137320 466817419 /nfs/dbraw/zinc/81/74/19/466817419.db2.gz YSLPAIXQUUUCMW-SFHVURJKSA-N 2 0 336.524 2.233 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC[C@@H]21 ZINC000376020508 466887975 /nfs/dbraw/zinc/88/79/75/466887975.db2.gz VVQDTGVYAUBJOB-CPFNUKBASA-N 2 0 334.508 2.129 10 0 EEAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000373697871 466891142 /nfs/dbraw/zinc/89/11/42/466891142.db2.gz RTZDTPDAEOGJKI-FQEVSTJZSA-N 2 0 337.552 2.418 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417605156 466893481 /nfs/dbraw/zinc/89/34/81/466893481.db2.gz APANZEAYTQSERW-UHFFFAOYSA-N 2 0 336.524 2.171 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417666113 466903475 /nfs/dbraw/zinc/90/34/75/466903475.db2.gz FCMWEKFWNMMGTH-QYZOEREBSA-N 2 0 342.487 2.044 10 0 EEAERP CC(C)n1cncc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000424152075 466991695 /nfs/dbraw/zinc/99/16/95/466991695.db2.gz ICLLOMRMKACJEG-UHFFFAOYSA-N 2 0 343.475 2.045 10 0 EEAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214223 467005386 /nfs/dbraw/zinc/00/53/86/467005386.db2.gz CCNBUZAMIPEUSL-OTWHNJEPSA-N 2 0 341.499 2.498 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418046771 467032929 /nfs/dbraw/zinc/03/29/29/467032929.db2.gz QZPNKYAFGTUQNV-VQIMIIECSA-N 2 0 330.476 2.044 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418103733 467045640 /nfs/dbraw/zinc/04/56/40/467045640.db2.gz WQESHAUEVPBWPK-GOSISDBHSA-N 2 0 346.519 2.320 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418501848 467121094 /nfs/dbraw/zinc/12/10/94/467121094.db2.gz SVDOAWWQJOACBB-FSPWUOQZSA-N 2 0 326.444 2.137 10 0 EEAERP CC(C)(O)CC[NH+]1CCCC2(CCC[N@@H+](CCC(C)(C)O)C2)C1 ZINC000377728445 467128207 /nfs/dbraw/zinc/12/82/07/467128207.db2.gz UFDSHPSGHBPXHA-UHFFFAOYSA-N 2 0 326.525 2.486 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418557454 467128526 /nfs/dbraw/zinc/12/85/26/467128526.db2.gz BAKITCCGXOTFSY-KSZLIROESA-N 2 0 330.476 2.172 10 0 EEAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377897615 467161454 /nfs/dbraw/zinc/16/14/54/467161454.db2.gz BGDNKPUAOXUZMF-MAUKXSAKSA-N 2 0 327.488 2.389 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCCC2 ZINC000450970026 467217976 /nfs/dbraw/zinc/21/79/76/467217976.db2.gz MFQDZYJVZRZWCH-ZWKOTPCHSA-N 2 0 349.519 2.057 10 0 EEAERP O=C(N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000420325043 467356904 /nfs/dbraw/zinc/35/69/04/467356904.db2.gz VZTYBJOHDGWCNX-HINLZNOGSA-N 2 0 345.531 2.347 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382714721 467378490 /nfs/dbraw/zinc/37/84/90/467378490.db2.gz ZMNHNLKRPXGFOQ-NZSAHSFTSA-N 2 0 329.488 2.484 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1)[C@@H]1CCC[NH2+]1 ZINC000390055569 467405233 /nfs/dbraw/zinc/40/52/33/467405233.db2.gz OAHQKVHOBVNJJE-ILXRZTDVSA-N 2 0 329.435 2.002 10 0 EEAERP C[C@@H]1CCN(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420473774 467419545 /nfs/dbraw/zinc/41/95/45/467419545.db2.gz WMEVWEASNVVQBE-MRXNPFEDSA-N 2 0 330.476 2.031 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000414707475 467431227 /nfs/dbraw/zinc/43/12/27/467431227.db2.gz PQJYBWLZFBCDPO-WMZOPIPTSA-N 2 0 333.451 2.030 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414750051 467434364 /nfs/dbraw/zinc/43/43/64/467434364.db2.gz XGCKXQQSGNYBHJ-SOUVJXGZSA-N 2 0 349.441 2.497 10 0 EEAERP C[N@H+](C[C@H](O)CNC[C@@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000397898075 467444706 /nfs/dbraw/zinc/44/47/06/467444706.db2.gz QYWFSJGZMQVPPB-WOJBJXKFSA-N 2 0 331.504 2.086 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)[C@H](C)C1 ZINC000453312398 467478924 /nfs/dbraw/zinc/47/89/24/467478924.db2.gz QUKOUYYWOCESCZ-IAGOWNOFSA-N 2 0 330.488 2.479 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448252765 467590692 /nfs/dbraw/zinc/59/06/92/467590692.db2.gz RPXSRKLUJMULFF-IXDOHACOSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC000449064250 467616368 /nfs/dbraw/zinc/61/63/68/467616368.db2.gz UBFGOQMWDGDFFY-MRXNPFEDSA-N 2 0 329.488 2.198 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cc2cccnc2o1)C(=O)NCC[NH+](C)C ZINC000449199581 467623328 /nfs/dbraw/zinc/62/33/28/467623328.db2.gz CHOFMHNERPBAMY-INIZCTEOSA-N 2 0 332.448 2.010 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000457919287 467729538 /nfs/dbraw/zinc/72/95/38/467729538.db2.gz XHMVDDXGMNMRFX-HKUYNNGSSA-N 2 0 346.519 2.285 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000515083518 467973850 /nfs/dbraw/zinc/97/38/50/467973850.db2.gz VBOBBKLWBGUHRW-IYBDPMFKSA-N 2 0 330.476 2.157 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000516026236 468010316 /nfs/dbraw/zinc/01/03/16/468010316.db2.gz YZZPFCSOEWKBKI-BFYDXBDKSA-N 2 0 348.466 2.075 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487297065 468031684 /nfs/dbraw/zinc/03/16/84/468031684.db2.gz HGFQWANNYWEHIW-UHFFFAOYSA-N 2 0 329.286 2.394 10 0 EEAERP Cc1ncncc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000517960177 468103556 /nfs/dbraw/zinc/10/35/56/468103556.db2.gz JLYUYBZKDPJRMA-MRXNPFEDSA-N 2 0 340.471 2.463 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000569575493 468512554 /nfs/dbraw/zinc/51/25/54/468512554.db2.gz BJODVTQKAWWVSA-KBAYOESNSA-N 2 0 330.476 2.121 10 0 EEAERP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000569819619 468548651 /nfs/dbraw/zinc/54/86/51/468548651.db2.gz PHWADGMIQUDBDG-UHFFFAOYSA-N 2 0 346.450 2.467 10 0 EEAERP C[N@H+](CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000582834885 468602353 /nfs/dbraw/zinc/60/23/53/468602353.db2.gz YEVJGXYWXHRCMC-UHFFFAOYSA-N 2 0 348.535 2.314 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](COC)CC(C)(C)C)CC[NH2+]CC1 ZINC000594585213 468627969 /nfs/dbraw/zinc/62/79/69/468627969.db2.gz WRRUITQPFWMHIU-CABCVRRESA-N 2 0 328.497 2.349 10 0 EEAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000594927526 468723760 /nfs/dbraw/zinc/72/37/60/468723760.db2.gz VSKWBEZWRJZUSZ-ZYSHUDEJSA-N 2 0 346.471 2.448 10 0 EEAERP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562806012 469077715 /nfs/dbraw/zinc/07/77/15/469077715.db2.gz GSBILGABSJBSIA-FPAYPSAMSA-N 2 0 344.503 2.194 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563092270 469168334 /nfs/dbraw/zinc/16/83/34/469168334.db2.gz JDHSMLNTHRDXHF-IBGZPJMESA-N 2 0 342.487 2.129 10 0 EEAERP CC(C)(CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000563092428 469168646 /nfs/dbraw/zinc/16/86/46/469168646.db2.gz KASYNQQYEPHLPG-SFHVURJKSA-N 2 0 344.503 2.376 10 0 EEAERP CCOC(=O)C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000599280446 469188574 /nfs/dbraw/zinc/18/85/74/469188574.db2.gz AFKBVLKEOAUCQX-IBGZPJMESA-N 2 0 348.487 2.145 10 0 EEAERP COC(=O)C1C[C@@H](C)[NH+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000599698037 469342387 /nfs/dbraw/zinc/34/23/87/469342387.db2.gz ULKCCZFYNIZCOK-IAGOWNOFSA-N 2 0 339.524 2.065 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000618546195 469384128 /nfs/dbraw/zinc/38/41/28/469384128.db2.gz CKZPJKSLMLHMLI-ROUUACIJSA-N 2 0 330.476 2.217 10 0 EEAERP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCOCCC[NH3+] ZINC000629535381 469574902 /nfs/dbraw/zinc/57/49/02/469574902.db2.gz CERGKIMVALPRSG-NSHDSACASA-N 2 0 333.245 2.474 10 0 EEAERP C[C@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000612902163 469575817 /nfs/dbraw/zinc/57/58/17/469575817.db2.gz RBFYCPKWRKWIQK-RBUKOAKNSA-N 2 0 330.476 2.092 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000629566970 469580832 /nfs/dbraw/zinc/58/08/32/469580832.db2.gz CGJRRLMCDSYBHZ-UHFFFAOYSA-N 2 0 348.274 2.490 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617551057 469722032 /nfs/dbraw/zinc/72/20/32/469722032.db2.gz KDZYLIKDSYREAU-WOJBJXKFSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626939446 469763264 /nfs/dbraw/zinc/76/32/64/469763264.db2.gz DLKGDJUPUODLTC-NJAFHUGGSA-N 2 0 330.476 2.091 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000627039473 469799009 /nfs/dbraw/zinc/79/90/09/469799009.db2.gz XVORMNZPAYGLNM-DZJNRPSUSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050190 469802340 /nfs/dbraw/zinc/80/23/40/469802340.db2.gz DRSWJONYYGFSEG-FUHWJXTLSA-N 2 0 344.503 2.481 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000627170314 469833235 /nfs/dbraw/zinc/83/32/35/469833235.db2.gz NETRKVVYPOOHCJ-ZWKOTPCHSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199905 469841407 /nfs/dbraw/zinc/84/14/07/469841407.db2.gz FZGAFFYZFHQITF-BPQIPLTHSA-N 2 0 330.476 2.043 10 0 EEAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000624265187 469892834 /nfs/dbraw/zinc/89/28/34/469892834.db2.gz OHEDAMFGLXNCCH-LJQANCHMSA-N 2 0 346.519 2.135 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)CC1(O)CCC1 ZINC000625284979 470112154 /nfs/dbraw/zinc/11/21/54/470112154.db2.gz ODNBTLYCFFPHOU-IBGZPJMESA-N 2 0 347.503 2.286 10 0 EEAERP O=C(Cc1ccc(-n2ccnc2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000631453553 470144908 /nfs/dbraw/zinc/14/49/08/470144908.db2.gz NQESHRIVVKONTE-SFHVURJKSA-N 2 0 338.455 2.359 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638836726 470299681 /nfs/dbraw/zinc/29/96/81/470299681.db2.gz VVSWTRNLKOVKMJ-YSHGAJCASA-N 2 0 329.488 2.388 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCC[C@H]4CCO4)CC3)C2)cc1 ZINC000639162610 470415936 /nfs/dbraw/zinc/41/59/36/470415936.db2.gz UBMCVBBJPXSICB-SFTDATJTSA-N 2 0 343.515 2.448 10 0 EEAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000646106710 470529179 /nfs/dbraw/zinc/52/91/79/470529179.db2.gz MULXAYDVEBTGSI-KRWDZBQOSA-N 2 0 338.879 2.040 10 0 EEAERP 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ZINC000650724702 470952068 /nfs/dbraw/zinc/95/20/68/470952068.db2.gz KWCBKAQOGQWNSO-HKUYNNGSSA-N 2 0 330.476 2.044 10 0 EEAERP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000647793202 470985432 /nfs/dbraw/zinc/98/54/32/470985432.db2.gz PIRRWENLDHQQDD-XNISGKROSA-N 2 0 339.277 2.460 10 0 EEAERP c1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657402359 471127031 /nfs/dbraw/zinc/12/70/31/471127031.db2.gz RLMDXGAXLKZCST-HNNXBMFYSA-N 2 0 328.416 2.085 10 0 EEAERP Nc1nc(NC2CC[NH+](Cc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000645094367 471135554 /nfs/dbraw/zinc/13/55/54/471135554.db2.gz VUKVMNQJAGBRRC-UHFFFAOYSA-N 2 0 337.471 2.436 10 0 EEAERP [NH3+]CC1(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000652121862 471239492 /nfs/dbraw/zinc/23/94/92/471239492.db2.gz ZUNHDJBLZDPHKC-UHFFFAOYSA-N 2 0 330.476 2.211 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652172334 471249669 /nfs/dbraw/zinc/24/96/69/471249669.db2.gz VLOHELWVNXEIAZ-HNNXBMFYSA-N 2 0 345.491 2.035 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000641247875 471252306 /nfs/dbraw/zinc/25/23/06/471252306.db2.gz FKQGWTVNKFOXEJ-MJGOQNOKSA-N 2 0 344.503 2.210 10 0 EEAERP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360433 471279493 /nfs/dbraw/zinc/27/94/93/471279493.db2.gz HMUVLEANFOTCPI-IPELMVKDSA-N 2 0 334.460 2.435 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000669403186 471479560 /nfs/dbraw/zinc/47/95/60/471479560.db2.gz ODHSIRBVSYHHJS-MSOLQXFVSA-N 2 0 326.444 2.233 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000669518393 471531531 /nfs/dbraw/zinc/53/15/31/471531531.db2.gz VGUAEGJUAGTOPM-IBGZPJMESA-N 2 0 334.508 2.179 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655909661 471532157 /nfs/dbraw/zinc/53/21/57/471532157.db2.gz CJHCHZHIVZLFOY-KBPBESRZSA-N 2 0 346.397 2.258 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655915659 471536871 /nfs/dbraw/zinc/53/68/71/471536871.db2.gz PFMUYGHTFJQREM-WCQYABFASA-N 2 0 346.397 2.305 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000669565094 471558844 /nfs/dbraw/zinc/55/88/44/471558844.db2.gz BLLBLESHMDUUPN-JCGIZDLHSA-N 2 0 330.476 2.028 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[NH2+][C@H]2CC)cc1 ZINC000659353663 471589649 /nfs/dbraw/zinc/58/96/49/471589649.db2.gz QFCPKFHGVRDUOX-VJANTYMQSA-N 2 0 345.487 2.035 10 0 EEAERP c1[nH]nc(-c2ccccc2)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000666978985 471610535 /nfs/dbraw/zinc/61/05/35/471610535.db2.gz VPKBHYYAIDAMFK-UHFFFAOYSA-N 2 0 339.487 2.383 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000661264317 471692563 /nfs/dbraw/zinc/69/25/63/471692563.db2.gz CHEKNLODHISLLR-UHFFFAOYSA-N 2 0 344.503 2.244 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659601057 471696507 /nfs/dbraw/zinc/69/65/07/471696507.db2.gz PLVGQDKTDNHDBD-VQIMIIECSA-N 2 0 334.508 2.179 10 0 EEAERP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659610956 471698905 /nfs/dbraw/zinc/69/89/05/471698905.db2.gz HAULVFKGAICPNU-FUHWJXTLSA-N 2 0 344.503 2.196 10 0 EEAERP C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000656501861 471736603 /nfs/dbraw/zinc/73/66/03/471736603.db2.gz ORNYTXPVNLIPQL-CQSZACIVSA-N 2 0 328.420 2.121 10 0 EEAERP C[C@H](CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1)[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492017 471777148 /nfs/dbraw/zinc/77/71/48/471777148.db2.gz WRRNDPMXZVEFRQ-OBKDMQGPSA-N 2 0 336.520 2.482 10 0 EEAERP C[C@H](CC[NH+]1C[C@H]2COC[C@@]2(C)C1)CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661702187 471856052 /nfs/dbraw/zinc/85/60/52/471856052.db2.gz FMYLPQNHLSFHJC-YCKXBTPASA-N 2 0 336.520 2.339 10 0 EEAERP CCN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664782172 471859075 /nfs/dbraw/zinc/85/90/75/471859075.db2.gz IZAHDTBSYNJWCA-MOPGFXCFSA-N 2 0 344.503 2.244 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667962453 471965301 /nfs/dbraw/zinc/96/53/01/471965301.db2.gz POGOLGRYXVCAQB-AABGKKOBSA-N 2 0 330.472 2.300 10 0 EEAERP Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665219821 471972372 /nfs/dbraw/zinc/97/23/72/471972372.db2.gz IQGMPRIHZPZZCH-YTQUADARSA-N 2 0 346.519 2.422 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000665240332 471976893 /nfs/dbraw/zinc/97/68/93/471976893.db2.gz IMRJXOGOIBYVKK-MXEMCNAFSA-N 3 0 343.515 2.264 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000665285700 471989927 /nfs/dbraw/zinc/98/99/27/471989927.db2.gz UJXCOSOSAVNBLA-HNNXBMFYSA-N 2 0 333.476 2.336 10 0 EEAERP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC1CCN(c2ccccn2)CC1 ZINC000662266165 472050452 /nfs/dbraw/zinc/05/04/52/472050452.db2.gz YRSWSEHXXYUFKQ-GOSISDBHSA-N 2 0 344.503 2.141 10 0 EEAERP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NCCCc1ccccc1 ZINC000662295309 472060472 /nfs/dbraw/zinc/06/04/72/472060472.db2.gz PRWNFVJQXGSVOJ-FQEVSTJZSA-N 2 0 343.515 2.447 10 0 EEAERP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298661 472061840 /nfs/dbraw/zinc/06/18/40/472061840.db2.gz WQEJXJOSCHKXGH-DOTOQJQBSA-N 2 0 340.475 2.435 10 0 EEAERP COc1ccc([C@@H]2C[C@H]2CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000668302282 472076346 /nfs/dbraw/zinc/07/63/46/472076346.db2.gz CVQGZNUXCIZSOE-HKUYNNGSSA-N 2 0 347.503 2.141 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)on1 ZINC000662391566 472094963 /nfs/dbraw/zinc/09/49/63/472094963.db2.gz BSQWWQAURMRMEQ-UHFFFAOYSA-N 2 0 342.443 2.217 10 0 EEAERP CO[C@@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000668496280 472145935 /nfs/dbraw/zinc/14/59/35/472145935.db2.gz KXBNVHADWZZWDF-FQEVSTJZSA-N 2 0 348.487 2.135 10 0 EEAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000662577942 472161038 /nfs/dbraw/zinc/16/10/38/472161038.db2.gz IGMLUZZEFWMXEX-QGTPRVQTSA-N 2 0 335.467 2.480 10 0 EEAERP COc1ccc([C@H](CNC(=O)CC2([NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000662662786 472192732 /nfs/dbraw/zinc/19/27/32/472192732.db2.gz VUIVUNAMAZVCKB-KRWDZBQOSA-N 2 0 331.460 2.220 10 0 EEAERP COc1ccc([C@@H](CNC(=O)CC2([NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000662662787 472193171 /nfs/dbraw/zinc/19/31/71/472193171.db2.gz VUIVUNAMAZVCKB-QGZVFWFLSA-N 2 0 331.460 2.220 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)on1 ZINC000662665585 472195374 /nfs/dbraw/zinc/19/53/74/472195374.db2.gz MIPGWTPEPOULPN-HNNXBMFYSA-N 2 0 342.443 2.435 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000662673199 472198075 /nfs/dbraw/zinc/19/80/75/472198075.db2.gz HZAVOWOXDPWPOM-UHFFFAOYSA-N 2 0 332.404 2.061 10 0 EEAERP [NH3+]C1(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000662727177 472225172 /nfs/dbraw/zinc/22/51/72/472225172.db2.gz ZLCPMEXDDRBZGI-LJQANCHMSA-N 2 0 327.472 2.383 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662746777 472232400 /nfs/dbraw/zinc/23/24/00/472232400.db2.gz NXLADBTZFBEFFS-SFHVURJKSA-N 2 0 327.472 2.394 10 0 EEAERP Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000657488163 485566401 /nfs/dbraw/zinc/56/64/01/485566401.db2.gz MVHSEUNJSSVITK-DOTOQJQBSA-N 2 0 325.416 2.325 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000674327316 485697805 /nfs/dbraw/zinc/69/78/05/485697805.db2.gz BVYLQWXRILJGET-QRQLOZEOSA-N 2 0 344.503 2.433 10 0 EEAERP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000684391216 485867294 /nfs/dbraw/zinc/86/72/94/485867294.db2.gz RAWLNRXWGZNTMF-QZTJIDSGSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000682916102 486584209 /nfs/dbraw/zinc/58/42/09/486584209.db2.gz GEJZKNXKFKYRSP-RDTXWAMCSA-N 2 0 333.451 2.247 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899274 534682851 /nfs/dbraw/zinc/68/28/51/534682851.db2.gz CIBGAZNKTVOUJV-LJQANCHMSA-N 2 0 342.487 2.272 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000415929368 528353734 /nfs/dbraw/zinc/35/37/34/528353734.db2.gz HVAKCJGTDUNVEI-HNNXBMFYSA-N 2 0 348.491 2.105 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415947064 528354658 /nfs/dbraw/zinc/35/46/58/528354658.db2.gz VOVKZZJKQOMOAV-IYBDPMFKSA-N 2 0 348.491 2.417 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179470790 528897873 /nfs/dbraw/zinc/89/78/73/528897873.db2.gz FUKRZGCXRYHZNX-ZWKOTPCHSA-N 2 0 332.492 2.413 10 0 EEAERP CCn1nc(C)c([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000924970320 682147979 /nfs/dbraw/zinc/14/79/79/682147979.db2.gz RCDZHBLAKWCVIB-HNNXBMFYSA-N 2 0 345.491 2.440 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)C1 ZINC000925659364 684779307 /nfs/dbraw/zinc/77/93/07/684779307.db2.gz CVIFTGDBZSTKDT-IRXDYDNUSA-N 2 0 338.517 2.140 10 0 EEAERP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899234772 693673627 /nfs/dbraw/zinc/67/36/27/693673627.db2.gz QQBUWQFAYCCEMO-LJQANCHMSA-N 2 0 343.471 2.332 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001485651491 1191870918 /nfs/dbraw/zinc/87/09/18/1191870918.db2.gz UWBVCXUBNBWNQJ-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1nocc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001485657975 1191878540 /nfs/dbraw/zinc/87/85/40/1191878540.db2.gz QJOVZURXSVRXPY-LZLYRXPVSA-N 2 0 348.491 2.042 10 0 EEAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001266472240 1176601008 /nfs/dbraw/zinc/60/10/08/1176601008.db2.gz GGZRFRKLOSPZIW-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001671558981 1176953149 /nfs/dbraw/zinc/95/31/49/1176953149.db2.gz LLCOBRCTJIUVEJ-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)co1 ZINC001266818347 1177481049 /nfs/dbraw/zinc/48/10/49/1177481049.db2.gz ZIXMUPAFTJOXRX-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001267040889 1178135953 /nfs/dbraw/zinc/13/59/53/1178135953.db2.gz IALVKGTWURPMFM-IEBWSBKVSA-N 2 0 333.520 2.347 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267103810 1178249707 /nfs/dbraw/zinc/24/97/07/1178249707.db2.gz HEDPCHAQODPAMN-KRWDZBQOSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)COCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001267104233 1178251964 /nfs/dbraw/zinc/25/19/64/1178251964.db2.gz OJAXURZYNFZIHS-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267107420 1178260041 /nfs/dbraw/zinc/26/00/41/1178260041.db2.gz GMMBISPCEGEYHI-MSOLQXFVSA-N 2 0 341.540 2.311 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001267278400 1178663697 /nfs/dbraw/zinc/66/36/97/1178663697.db2.gz JLFCRMZMEAQMHZ-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001691447377 1178836609 /nfs/dbraw/zinc/83/66/09/1178836609.db2.gz AHQNACBNGJOBGH-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@H]1CCc2ccccc2C1 ZINC001480997620 1179451064 /nfs/dbraw/zinc/45/10/64/1179451064.db2.gz IBFTUTCDQZRTLZ-KRWDZBQOSA-N 2 0 331.504 2.181 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001481110154 1179761420 /nfs/dbraw/zinc/76/14/20/1179761420.db2.gz ZEINRLBKCAETID-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001481111250 1179761849 /nfs/dbraw/zinc/76/18/49/1179761849.db2.gz GLGLWMVXTMJWQT-IAGOWNOFSA-N 2 0 333.520 2.347 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267689625 1180166670 /nfs/dbraw/zinc/16/66/70/1180166670.db2.gz GZURCZJEMNJHBH-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481271356 1180570671 /nfs/dbraw/zinc/57/06/71/1180570671.db2.gz SFPUOYSQGGDUJZ-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCCF)NC(=O)C[N@H+](C)C1CCC1 ZINC001267870161 1180657883 /nfs/dbraw/zinc/65/78/83/1180657883.db2.gz JCYOAWFXQCIPNS-YJBOKZPZSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2coc(C)n2)CC1)[NH+](C)C ZINC001267915658 1180758574 /nfs/dbraw/zinc/75/85/74/1180758574.db2.gz MBBKQYRGNZHHFI-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001267932071 1180782811 /nfs/dbraw/zinc/78/28/11/1180782811.db2.gz CPFLZDSWLXDVPY-VPLLLXJESA-N 2 0 339.524 2.303 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001267964070 1180857819 /nfs/dbraw/zinc/85/78/19/1180857819.db2.gz ZLZZSDYOGHMKIK-BJYXUANLSA-N 2 0 327.900 2.442 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1Cl)[NH+](C)C ZINC001481304351 1180971576 /nfs/dbraw/zinc/97/15/76/1180971576.db2.gz QVURJWRAFLBWTH-OAHLLOKOSA-N 2 0 329.847 2.367 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(F)F)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314541 1181009847 /nfs/dbraw/zinc/00/98/47/1181009847.db2.gz HSNZPSDFMMPQDM-HNNXBMFYSA-N 2 0 325.403 2.124 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481334871 1181059810 /nfs/dbraw/zinc/05/98/10/1181059810.db2.gz BAEZFQINSYTMSE-GDBMZVCRSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001481342302 1181075930 /nfs/dbraw/zinc/07/59/30/1181075930.db2.gz DYWRSBVWFMJERX-CQSZACIVSA-N 2 0 336.480 2.040 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001481380093 1181163468 /nfs/dbraw/zinc/16/34/68/1181163468.db2.gz DPBQBMJOJZIEGM-IXDOHACOSA-N 2 0 325.472 2.142 10 0 EEAERP COCc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001481499345 1181573235 /nfs/dbraw/zinc/57/32/35/1181573235.db2.gz VZZRWNMCUMWGKC-LJQANCHMSA-N 2 0 347.503 2.065 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001268122325 1181770785 /nfs/dbraw/zinc/77/07/85/1181770785.db2.gz HIPVZCZFLKVYIN-DOTOQJQBSA-N 2 0 339.499 2.485 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCOCC1 ZINC001268163624 1181879763 /nfs/dbraw/zinc/87/97/63/1181879763.db2.gz ZECCMTWEHYRETB-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001691500028 1182054797 /nfs/dbraw/zinc/05/47/97/1182054797.db2.gz HUHGZSJOJHCKQY-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)no1 ZINC001268378407 1182398057 /nfs/dbraw/zinc/39/80/57/1182398057.db2.gz WCDIBWQZLNNYMF-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732592 1182414347 /nfs/dbraw/zinc/41/43/47/1182414347.db2.gz RIXBWXGQAFQYBC-RDJZCZTQSA-N 2 0 339.524 2.207 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001481796736 1182714192 /nfs/dbraw/zinc/71/41/92/1182714192.db2.gz FEJIOYPBLIBTEN-PBHICJAKSA-N 2 0 339.430 2.086 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(COC)cc1 ZINC001481812284 1182740899 /nfs/dbraw/zinc/74/08/99/1182740899.db2.gz KAIXEQKQCUZCBZ-ATZDWAIDSA-N 2 0 347.503 2.158 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001481847616 1182791750 /nfs/dbraw/zinc/79/17/50/1182791750.db2.gz GMHKGAIDQXLMFL-GXTWGEPZSA-N 2 0 327.419 2.462 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268486284 1182965764 /nfs/dbraw/zinc/96/57/64/1182965764.db2.gz SBPVKQFNTPQVIG-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]Cc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001481930589 1182977008 /nfs/dbraw/zinc/97/70/08/1182977008.db2.gz HYPYFLCTPKTMBW-NLWGTHIKSA-N 2 0 344.503 2.186 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1N(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268491056 1182986583 /nfs/dbraw/zinc/98/65/83/1182986583.db2.gz JYFIRYVOUAQFPV-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCOC1CCCCCC1 ZINC001268523508 1183176796 /nfs/dbraw/zinc/17/67/96/1183176796.db2.gz RAQDYRVJLHXUHP-IPLHWJFFSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001268561716 1183263098 /nfs/dbraw/zinc/26/30/98/1183263098.db2.gz BUTJPQRAXCUYSC-PLNGDYQASA-N 2 0 327.472 2.120 10 0 EEAERP CO[C@@H](C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001268579135 1183348028 /nfs/dbraw/zinc/34/80/28/1183348028.db2.gz ONXGKHAQPRFXNG-PXEQJPNCSA-N 2 0 345.487 2.120 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268686494 1183608838 /nfs/dbraw/zinc/60/88/38/1183608838.db2.gz DPNZPHKREMPAST-HDMKZQKVSA-N 2 0 335.467 2.193 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)cnc2c1 ZINC001268757845 1183672125 /nfs/dbraw/zinc/67/21/25/1183672125.db2.gz FAFVGZJGWHQGLM-IAGOWNOFSA-N 2 0 344.459 2.167 10 0 EEAERP CO[C@@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001268792674 1183706849 /nfs/dbraw/zinc/70/68/49/1183706849.db2.gz AQZBKUQSQPVDQV-QRQLOZEOSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cnc(Cl)s2)C1 ZINC001268847948 1183763916 /nfs/dbraw/zinc/76/39/16/1183763916.db2.gz PJZUDZYLWGQREZ-LBPRGKRZSA-N 2 0 344.912 2.076 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001269192411 1184048387 /nfs/dbraw/zinc/04/83/87/1184048387.db2.gz XWXDYMXOBSTJBD-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001269951336 1184739054 /nfs/dbraw/zinc/73/90/54/1184739054.db2.gz IFZFVIQBAROOEF-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001270275070 1184977948 /nfs/dbraw/zinc/97/79/48/1184977948.db2.gz BNGOJZOUBVUAMC-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001270308517 1185007365 /nfs/dbraw/zinc/00/73/65/1185007365.db2.gz IVZPOJDYJYLXHP-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001482283449 1185052413 /nfs/dbraw/zinc/05/24/13/1185052413.db2.gz MWWPYZRUYHABFO-QAPCUYQASA-N 2 0 347.478 2.412 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CCCC1 ZINC001270390800 1185069467 /nfs/dbraw/zinc/06/94/67/1185069467.db2.gz ZPXCKMFIPGVHAP-ZIAGYGMSSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@@H](CNC(=O)c1cccc2nccn21)C[NH2+]CCC(F)(F)F ZINC001270453620 1185106801 /nfs/dbraw/zinc/10/68/01/1185106801.db2.gz YNNZKTLXACKBAD-LLVKDONJSA-N 2 0 328.338 2.242 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482298251 1185179568 /nfs/dbraw/zinc/17/95/68/1185179568.db2.gz IREHDJZIVVJPHR-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ccccc1OCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001670807718 1185493592 /nfs/dbraw/zinc/49/35/92/1185493592.db2.gz PJZNUUKFLXMBKM-QGZVFWFLSA-N 2 0 345.487 2.097 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001482370217 1185535552 /nfs/dbraw/zinc/53/55/52/1185535552.db2.gz SYPXAFQZAJXFTD-HOCLYGCPSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCCCF ZINC001482435907 1185711109 /nfs/dbraw/zinc/71/11/09/1185711109.db2.gz SLJXBJYDAVEGBP-HOTGVXAUSA-N 2 0 325.472 2.049 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)C[C@@H](OC)C1CCC1 ZINC001482651635 1187487409 /nfs/dbraw/zinc/48/74/09/1187487409.db2.gz HKAGCMAQNOMEPT-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC001482845878 1187764613 /nfs/dbraw/zinc/76/46/13/1187764613.db2.gz HHHHLEJKHCSUNR-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001482874848 1187795082 /nfs/dbraw/zinc/79/50/82/1187795082.db2.gz MZUSIBIERGEAMO-AWEZNQCLSA-N 2 0 338.471 2.183 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555805 1188259217 /nfs/dbraw/zinc/25/92/17/1188259217.db2.gz KLVHKXPTJOTXMD-CABCVRRESA-N 2 0 331.451 2.200 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001483060495 1188354824 /nfs/dbraw/zinc/35/48/24/1188354824.db2.gz LLQBXIZHHHKPKU-FDRQBBGKSA-N 2 0 345.487 2.360 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001483083931 1188446095 /nfs/dbraw/zinc/44/60/95/1188446095.db2.gz SVCLMLJFEFCHTR-JFDDCEBESA-N 2 0 325.403 2.067 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(-c2ccccc2)no1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116735 1188535234 /nfs/dbraw/zinc/53/52/34/1188535234.db2.gz NMEBKJYLLXSGNP-KDOFPFPSSA-N 2 0 342.443 2.030 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483129436 1188612483 /nfs/dbraw/zinc/61/24/83/1188612483.db2.gz UDDCJWPWYOCJAN-RDTXWAMCSA-N 2 0 340.471 2.104 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2cncc(F)c2)cn1 ZINC001272855791 1193578509 /nfs/dbraw/zinc/57/85/09/1193578509.db2.gz UGBPQGVTTJDBGJ-CYBMUJFWSA-N 2 0 347.438 2.145 10 0 EEAERP Cc1nccn1CCCC(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001483176108 1189028437 /nfs/dbraw/zinc/02/84/37/1189028437.db2.gz QAXONRSKUMMFIR-CYBMUJFWSA-N 2 0 349.866 2.315 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001485856554 1193617914 /nfs/dbraw/zinc/61/79/14/1193617914.db2.gz SUOUVLATAURCEY-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H](CN(C)C(=O)CCc1c[nH]cn1)[NH2+]Cc1ccc(Cl)nc1 ZINC001485885775 1193629457 /nfs/dbraw/zinc/62/94/57/1193629457.db2.gz QMUXOJFCTVAQRB-GFCCVEGCSA-N 2 0 335.839 2.027 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1nc2ccccc2o1)C(=O)CC[NH+](C)C ZINC001409441517 1189688369 /nfs/dbraw/zinc/68/83/69/1189688369.db2.gz IPUADFMECVZHPX-UHFFFAOYSA-N 2 0 346.475 2.354 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000905583810 1189794721 /nfs/dbraw/zinc/79/47/21/1189794721.db2.gz IPFZYIWIBJFAPM-INIZCTEOSA-N 2 0 338.565 2.296 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485918990 1193639878 /nfs/dbraw/zinc/63/98/78/1193639878.db2.gz FRWCFLVFASLVOW-BLLLJJGKSA-N 2 0 340.537 2.283 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1nccs1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001409501148 1189885940 /nfs/dbraw/zinc/88/59/40/1189885940.db2.gz XELMIELXDZTMQD-AWEZNQCLSA-N 2 0 338.521 2.059 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001483443371 1190482268 /nfs/dbraw/zinc/48/22/68/1190482268.db2.gz RIPDTOHIPMWXGW-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486125879 1193687513 /nfs/dbraw/zinc/68/75/13/1193687513.db2.gz BBWKKCTYEAGEGK-MJGOQNOKSA-N 2 0 341.499 2.294 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1F)[NH+](C)C ZINC001493698362 1190887787 /nfs/dbraw/zinc/88/77/87/1190887787.db2.gz CSHAZZUDOPBMOB-AWEZNQCLSA-N 2 0 329.847 2.367 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccc(F)cc3F)CC2)CC1 ZINC001483764191 1190998090 /nfs/dbraw/zinc/99/80/90/1190998090.db2.gz GGQFROHRUGUKJR-UHFFFAOYSA-N 2 0 337.414 2.045 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001483782935 1191035643 /nfs/dbraw/zinc/03/56/43/1191035643.db2.gz HDSZPDNZSZUWFY-UHFFFAOYSA-N 2 0 327.472 2.138 10 0 EEAERP O=C(NCC1([NH2+][C@@H]2CCc3ccccc32)CC1)C12CC[NH+](CC1)C2 ZINC001483783048 1191036229 /nfs/dbraw/zinc/03/62/29/1191036229.db2.gz IQTLCLCMLJWDBE-QGZVFWFLSA-N 2 0 325.456 2.008 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cnoc1C)[NH+](CC)CC ZINC001483944627 1191126636 /nfs/dbraw/zinc/12/66/36/1191126636.db2.gz CECLSLCZWOCVEG-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348437 1191313443 /nfs/dbraw/zinc/31/34/43/1191313443.db2.gz UYIBYNYRSATIHP-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)cc1C ZINC001484413315 1191340022 /nfs/dbraw/zinc/34/00/22/1191340022.db2.gz ZZPGTVYVUGDUAI-KDURUIRLSA-N 2 0 329.488 2.145 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001484574786 1191427545 /nfs/dbraw/zinc/42/75/45/1191427545.db2.gz IRAPBFBOIPAPHI-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)c1 ZINC001484700566 1191472294 /nfs/dbraw/zinc/47/22/94/1191472294.db2.gz OUCYQVJFLXIAFI-HKUYNNGSSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)cc1 ZINC001484696196 1191476297 /nfs/dbraw/zinc/47/62/97/1191476297.db2.gz LMNZYOXYLCHLKB-LJQANCHMSA-N 2 0 347.503 2.044 10 0 EEAERP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001484928478 1191574167 /nfs/dbraw/zinc/57/41/67/1191574167.db2.gz VELLKUNWOJYTBP-UHFFFAOYSA-N 2 0 348.491 2.330 10 0 EEAERP Cc1ccc(CC[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001485092744 1191653023 /nfs/dbraw/zinc/65/30/23/1191653023.db2.gz UGVLOVCCMCCAKX-SGZDXZSOSA-N 2 0 343.515 2.362 10 0 EEAERP COC[C@H](C)[NH2+]CC1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485097819 1191654677 /nfs/dbraw/zinc/65/46/77/1191654677.db2.gz NJSOKMCBBRMSET-FHERZECASA-N 2 0 339.524 2.159 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001485208131 1191693958 /nfs/dbraw/zinc/69/39/58/1191693958.db2.gz OPRNLJLQQIRQAD-OLZOCXBDSA-N 2 0 341.883 2.370 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001485318889 1191732946 /nfs/dbraw/zinc/73/29/46/1191732946.db2.gz KBBLNKSOGMCYQN-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cnccc2C)CC[N@@H+]1C ZINC001485306402 1191736405 /nfs/dbraw/zinc/73/64/05/1191736405.db2.gz KWLTZHKHMPVLSJ-BPQIPLTHSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485442007 1191786517 /nfs/dbraw/zinc/78/65/17/1191786517.db2.gz CCSQSMUQVNDTER-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C)no3)[C@H]2C1 ZINC001486166461 1193709306 /nfs/dbraw/zinc/70/93/06/1193709306.db2.gz KFZNLUKHQOVZDY-SZMVWBNQSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)C)ccc2c[nH+]cn21 ZINC001486341388 1193835140 /nfs/dbraw/zinc/83/51/40/1193835140.db2.gz SOSUTNFIHWSDJS-KRWDZBQOSA-N 2 0 346.475 2.054 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC[C@H]2CCCO2)C(C)(C)C)CCC1 ZINC001486398171 1193898143 /nfs/dbraw/zinc/89/81/43/1193898143.db2.gz DHCGIEFOBQVIPW-HZPDHXFCSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001486442533 1193970920 /nfs/dbraw/zinc/97/09/20/1193970920.db2.gz VMXMATNJGIBUPV-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP CO[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001486471313 1193991275 /nfs/dbraw/zinc/99/12/75/1193991275.db2.gz RLJLQUUSUOQWKQ-UQPPLGOBSA-N 2 0 339.524 2.253 10 0 EEAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001486516866 1194022767 /nfs/dbraw/zinc/02/27/67/1194022767.db2.gz OWSRGTILFOUQSZ-HNNXBMFYSA-N 2 0 325.472 2.215 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cncc(C)c2)C1 ZINC001272979935 1194288940 /nfs/dbraw/zinc/28/89/40/1194288940.db2.gz XXOKUOLBHQPTIS-MJGOQNOKSA-N 2 0 346.519 2.496 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001691689007 1197505092 /nfs/dbraw/zinc/50/50/92/1197505092.db2.gz PSSJZUVXEFBHFY-KURKYZTESA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001410334686 1197722866 /nfs/dbraw/zinc/72/28/66/1197722866.db2.gz UDIVYWOJDNPDAT-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+]1CCC(NC(=S)N2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000871677737 1197829076 /nfs/dbraw/zinc/82/90/76/1197829076.db2.gz DSSJZKDYJIMIPJ-UHFFFAOYSA-N 2 0 338.565 2.296 10 0 EEAERP [NH3+]C[C@]1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CCCOC1 ZINC000872175206 1198071166 /nfs/dbraw/zinc/07/11/66/1198071166.db2.gz IXCOREZBWNDBKW-LJQANCHMSA-N 2 0 342.443 2.339 10 0 EEAERP C[C@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Cl)c1 ZINC000872257254 1198115063 /nfs/dbraw/zinc/11/50/63/1198115063.db2.gz OEVUCVWQWIUUDY-YYQUZTFQSA-N 2 0 349.862 2.310 10 0 EEAERP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865266032 1198147920 /nfs/dbraw/zinc/14/79/20/1198147920.db2.gz XHCAXXWLMNCLIB-INIZCTEOSA-N 2 0 326.554 2.199 10 0 EEAERP Cn1ncc2cc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)cnc21 ZINC000865417294 1198205901 /nfs/dbraw/zinc/20/59/01/1198205901.db2.gz FWKAEAFUKYJGFP-UHFFFAOYSA-N 2 0 339.443 2.199 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C)o1 ZINC001410842338 1198490803 /nfs/dbraw/zinc/49/08/03/1198490803.db2.gz FDCCLORHZDNTBR-CZUORRHYSA-N 2 0 336.480 2.040 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC001410892092 1198545764 /nfs/dbraw/zinc/54/57/64/1198545764.db2.gz CWXRLYYTKLQUPE-ICSRJNTNSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC001410912543 1198566592 /nfs/dbraw/zinc/56/65/92/1198566592.db2.gz TVCYVPLBRVYBHV-PKOBYXMFSA-N 2 0 346.475 2.117 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](Cc2cnoc2C)CC1 ZINC001411236016 1198948005 /nfs/dbraw/zinc/94/80/05/1198948005.db2.gz OECAKSXXWRGCNK-CQSZACIVSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccns2)CC1 ZINC001411257403 1198987024 /nfs/dbraw/zinc/98/70/24/1198987024.db2.gz FYQLERNMVFZZQG-AWEZNQCLSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCc2ccc(OC)cc2)C1)[NH+](C)C ZINC001411279459 1199057564 /nfs/dbraw/zinc/05/75/64/1199057564.db2.gz NRFMYYSESHMRGC-FAFZWHIHSA-N 2 0 347.503 2.157 10 0 EEAERP Cc1ccc(C(C)(C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870021750 1200411982 /nfs/dbraw/zinc/41/19/82/1200411982.db2.gz KALSQBHQILOCNT-QZTJIDSGSA-N 2 0 345.531 2.470 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000870854307 1200912645 /nfs/dbraw/zinc/91/26/45/1200912645.db2.gz SYZVAIVXLUSVIS-KGXSXCIVSA-N 2 0 327.472 2.472 10 0 EEAERP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870937802 1200967058 /nfs/dbraw/zinc/96/70/58/1200967058.db2.gz BBMSHLCMHVUUOC-QWHCGFSZSA-N 2 0 328.254 2.083 10 0 EEAERP CN1Cc2ccccc2[C@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000870979779 1200987607 /nfs/dbraw/zinc/98/76/07/1200987607.db2.gz RMTXXFWGDWEPIR-LJQANCHMSA-N 2 0 338.455 2.329 10 0 EEAERP COC(=O)/C=C\c1ccc(OCCN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000866668780 1201574928 /nfs/dbraw/zinc/57/49/28/1201574928.db2.gz VLSWFGFTZRMEMS-HMVHIAHLSA-N 2 0 344.455 2.183 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000866708389 1201586269 /nfs/dbraw/zinc/58/62/69/1201586269.db2.gz DVBYHXHMKFCZOX-VNQPRFMTSA-N 2 0 343.452 2.268 10 0 EEAERP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCCO1 ZINC000868180170 1201758559 /nfs/dbraw/zinc/75/85/59/1201758559.db2.gz LHPWKMVTUSOKBZ-FHLIZLRMSA-N 2 0 346.475 2.124 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1c2ccccc2CN1C ZINC000868741187 1201869721 /nfs/dbraw/zinc/86/97/21/1201869721.db2.gz WZSBVCZGKCJDAW-SFHVURJKSA-N 2 0 332.492 2.450 10 0 EEAERP c1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)n(-c2cc[nH+]cc2)n1 ZINC000883253256 1202036568 /nfs/dbraw/zinc/03/65/68/1202036568.db2.gz NBPIIHXWXRIYCZ-GOSISDBHSA-N 2 0 342.443 2.333 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccns1 ZINC001691727705 1204233639 /nfs/dbraw/zinc/23/36/39/1204233639.db2.gz WMPJCHTWUFLLEQ-GDBMZVCRSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCn2ccnc2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001691729010 1204241203 /nfs/dbraw/zinc/24/12/03/1204241203.db2.gz VKQJINAYNRNQLH-NVXWUHKLSA-N 2 0 345.447 2.068 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)C1 ZINC001274299389 1204988740 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347.528 2.494 10 0 EEAERP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925505616 1206120804 /nfs/dbraw/zinc/12/08/04/1206120804.db2.gz QFNDZVPDZCOBOZ-KZNAEPCWSA-N 2 0 345.535 2.088 10 0 EEAERP CC1(C)[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925633186 1206138166 /nfs/dbraw/zinc/13/81/66/1206138166.db2.gz BXGQOLWVTFDZSK-YSTOQKLRSA-N 2 0 343.515 2.119 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2nccc3c2CCCC3)CC[NH2+]CC1 ZINC000925807191 1206155753 /nfs/dbraw/zinc/15/57/53/1206155753.db2.gz UJWGFQYXJLCMOC-HNNXBMFYSA-N 2 0 345.487 2.371 10 0 EEAERP COc1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)ccc1OC(F)F ZINC000925812825 1206156829 /nfs/dbraw/zinc/15/68/29/1206156829.db2.gz ZSPNTGSIWKRYSA-LBPRGKRZSA-N 2 0 343.418 2.370 10 0 EEAERP C[C@@H]1[NH2+]CCC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000925838421 1206158939 /nfs/dbraw/zinc/15/89/39/1206158939.db2.gz XEZVCOOBZXSFQZ-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842480 1206159280 /nfs/dbraw/zinc/15/92/80/1206159280.db2.gz JWSHOTJPDOSNLU-GSEOLPGOSA-N 2 0 328.504 2.414 10 0 EEAERP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925857975 1206162147 /nfs/dbraw/zinc/16/21/47/1206162147.db2.gz RBQKBFXOBRINNF-HRCADAONSA-N 2 0 338.492 2.245 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925859994 1206162521 /nfs/dbraw/zinc/16/25/21/1206162521.db2.gz YJABAXXLKXCTJK-GOEBONIOSA-N 2 0 348.418 2.314 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1cccnc1 ZINC000925897049 1206164943 /nfs/dbraw/zinc/16/49/43/1206164943.db2.gz KVMIFBFCNGMAII-SFHVURJKSA-N 2 0 347.507 2.058 10 0 EEAERP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000926166256 1206200703 /nfs/dbraw/zinc/20/07/03/1206200703.db2.gz VUGWSMOTXPHOJT-JKSUJKDBSA-N 2 0 334.489 2.107 10 0 EEAERP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928550520 1206398361 /nfs/dbraw/zinc/39/83/61/1206398361.db2.gz WUKWRAXICPLQIJ-CEXWTWQISA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000928833030 1206425728 /nfs/dbraw/zinc/42/57/28/1206425728.db2.gz XGHATWIEKRWHRN-QZTJIDSGSA-N 2 0 330.476 2.208 10 0 EEAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000929283144 1206462568 /nfs/dbraw/zinc/46/25/68/1206462568.db2.gz NVMWTVHGNIJHCQ-QGZVFWFLSA-N 2 0 331.460 2.181 10 0 EEAERP O[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1(O)CCC1 ZINC000929772867 1206500411 /nfs/dbraw/zinc/50/04/11/1206500411.db2.gz PCNLECPTZJRYPI-UXHICEINSA-N 2 0 344.499 2.250 10 0 EEAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930439198 1206557783 /nfs/dbraw/zinc/55/77/83/1206557783.db2.gz IDNDQEDDZUMIEW-MRXNPFEDSA-N 2 0 339.439 2.305 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4C[C@H]5COC[C@@H]5O4)C[C@H]3C2)cc1 ZINC000931747611 1207455336 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EEAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902882026 1238844963 /nfs/dbraw/zinc/84/49/63/1238844963.db2.gz RYNDUSPPKKAXSX-QHHOHCCESA-N 2 0 334.504 2.157 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000903437148 1240470604 /nfs/dbraw/zinc/47/06/04/1240470604.db2.gz FZLDFXSLDSHEQN-NEPJUHHUSA-N 2 0 327.270 2.138 10 0 EEAERP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903497268 1240677655 /nfs/dbraw/zinc/67/76/55/1240677655.db2.gz SGDCJAYBCMYEGL-NVXWUHKLSA-N 2 0 333.476 2.008 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903732530 1241762911 /nfs/dbraw/zinc/76/29/11/1241762911.db2.gz FMOZLJPEFLUVNQ-NJYVYQBISA-N 2 0 344.499 2.479 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1C ZINC000903888410 1242338793 /nfs/dbraw/zinc/33/87/93/1242338793.db2.gz BIKWSYXKQZMNGI-QGZVFWFLSA-N 2 0 330.476 2.295 10 0 EEAERP CC(C)Oc1ccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903922955 1242514736 /nfs/dbraw/zinc/51/47/36/1242514736.db2.gz IFEHSRKFXAGFGX-INIZCTEOSA-N 2 0 329.448 2.280 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947542 1242658761 /nfs/dbraw/zinc/65/87/61/1242658761.db2.gz AFJKQNBWKRQSLP-RDTXWAMCSA-N 2 0 327.476 2.381 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000827205394 1250738020 /nfs/dbraw/zinc/73/80/20/1250738020.db2.gz MGHKNUKPUPWIQI-RBSFLKMASA-N 2 0 336.867 2.176 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001490959697 1258510788 /nfs/dbraw/zinc/51/07/88/1258510788.db2.gz CBNCRKYDFOCRIJ-XSLAGTTESA-N 2 0 337.508 2.057 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490984052 1258539696 /nfs/dbraw/zinc/53/96/96/1258539696.db2.gz QDCXLFFPUKMLJI-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491338136 1258966404 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10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[NH+]1CCCCC1 ZINC000850760253 1277332143 /nfs/dbraw/zinc/33/21/43/1277332143.db2.gz XGBRRFVUTMNOLJ-YJBOKZPZSA-N 2 0 346.475 2.343 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001272774378 1277941970 /nfs/dbraw/zinc/94/19/70/1277941970.db2.gz UYGFHYAWEZPPAV-BBRMVZONSA-N 2 0 338.521 2.309 10 0 EEAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001489330106 1290513509 /nfs/dbraw/zinc/51/35/09/1290513509.db2.gz MRONIPRWZBRDPW-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP C[C@H](O)CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001489348427 1290533042 /nfs/dbraw/zinc/53/30/42/1290533042.db2.gz VFVLLSZLJWKNBB-IRXDYDNUSA-N 2 0 341.540 2.096 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1F ZINC001490708622 1291591978 /nfs/dbraw/zinc/59/19/78/1291591978.db2.gz CWXGPIFRRFHJTO-IFXJQAMLSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740828 1291655038 /nfs/dbraw/zinc/65/50/38/1291655038.db2.gz GWOWTHOCHWZVIH-ROUUACIJSA-N 2 0 348.491 2.088 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000851796541 1291840082 /nfs/dbraw/zinc/84/00/82/1291840082.db2.gz HCZHSWMZCBQBLC-ZNMIVQPWSA-N 2 0 336.413 2.376 10 0 EEAERP CCC[NH+]1CCC([N@H+](C)C[C@H](O)P(=O)(OCC)OCC)CC1 ZINC000851796785 1291842190 /nfs/dbraw/zinc/84/21/90/1291842190.db2.gz KIEPVIFTURCJGT-OAHLLOKOSA-N 2 0 336.413 2.377 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000854233148 1292680532 /nfs/dbraw/zinc/68/05/32/1292680532.db2.gz YZBRCVIBWZNUBY-CYBMUJFWSA-N 2 0 338.883 2.376 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)CC[NH2+]CC1 ZINC000857253578 1293773204 /nfs/dbraw/zinc/77/32/04/1293773204.db2.gz OURNMHHATZLMHM-NWDGAFQWSA-N 2 0 337.291 2.481 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)C12CCC2 ZINC000925492657 1294890706 /nfs/dbraw/zinc/89/07/06/1294890706.db2.gz MZAGVSGETDHVLB-KZNAEPCWSA-N 2 0 333.451 2.059 10 0 EEAERP C[C@H]1CCC[C@@H](CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000863550136 1296330325 /nfs/dbraw/zinc/33/03/25/1296330325.db2.gz ZFEWVHWQYGXSJK-ONIAQPFYSA-N 2 0 335.492 2.460 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001277290760 1302215186 /nfs/dbraw/zinc/21/51/86/1302215186.db2.gz MHNMXCBSUMIGRH-OAHLLOKOSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](CCC[NH2+]CCC1CCOCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001277292027 1302222265 /nfs/dbraw/zinc/22/22/65/1302222265.db2.gz UHMAKTDLCKUDAA-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001277308361 1302301519 /nfs/dbraw/zinc/30/15/19/1302301519.db2.gz IACCPDKSOVGVMW-ZNXRZULTSA-N 2 0 337.508 2.009 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](NCC(F)(F)C(F)F)C[C@@H]1C ZINC001277777980 1304395559 /nfs/dbraw/zinc/39/55/59/1304395559.db2.gz YOCXITYEJGFIEX-NWDGAFQWSA-N 2 0 341.393 2.198 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001277786185 1304485143 /nfs/dbraw/zinc/48/51/43/1304485143.db2.gz UNGZSCDIEJTLMP-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001277981656 1305561429 /nfs/dbraw/zinc/56/14/29/1305561429.db2.gz OCELDLMQHCBIKL-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)ccc1N1CC[NH+](C)CC1 ZINC001141314388 1315088602 /nfs/dbraw/zinc/08/86/02/1315088602.db2.gz NWJSITMWJQSZAR-MRXNPFEDSA-N 2 0 348.466 2.119 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCC[NH3+])c2)[C@@H](C)C1 ZINC000841284127 1315520890 /nfs/dbraw/zinc/52/08/90/1315520890.db2.gz DGWSKZVUTBKHNS-YOEHRIQHSA-N 2 0 334.464 2.218 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCOCC1)[NH+](C)C ZINC001278728117 1317872714 /nfs/dbraw/zinc/87/27/14/1317872714.db2.gz BNJYMOFCHBZNQP-MRXNPFEDSA-N 2 0 341.540 2.408 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001263875225 1322544597 /nfs/dbraw/zinc/54/45/97/1322544597.db2.gz KKFRPYWJJDTRAB-YWTNHNAXSA-N 2 0 349.519 2.057 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1conc1C ZINC001265147885 1322948774 /nfs/dbraw/zinc/94/87/74/1322948774.db2.gz NOSRNMPHXLHFJR-GJZGRUSLSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001265557780 1323218404 /nfs/dbraw/zinc/21/84/04/1323218404.db2.gz FMYPKVXQNJURJY-ZYSHUDEJSA-N 2 0 347.478 2.337 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001265595122 1323253460 /nfs/dbraw/zinc/25/34/60/1323253460.db2.gz SPQHCMQJAXGHHS-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001265923544 1323489455 /nfs/dbraw/zinc/48/94/55/1323489455.db2.gz ROFXUFHMOSAZGP-RBUKOAKNSA-N 2 0 329.488 2.294 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(OC)c(C)c1 ZINC001266069875 1323624270 /nfs/dbraw/zinc/62/42/70/1323624270.db2.gz DUYFWNBCRHNVBP-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001266120199 1323690390 /nfs/dbraw/zinc/69/03/90/1323690390.db2.gz VGYZGORPFDYMNO-SFHVURJKSA-N 2 0 339.524 2.212 10 0 EEAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001266154561 1323724019 /nfs/dbraw/zinc/72/40/19/1323724019.db2.gz CDCUWMVANNHTBF-GXTWGEPZSA-N 2 0 326.872 2.060 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1nocc1C)[NH+](C)C ZINC001266241475 1323830187 /nfs/dbraw/zinc/83/01/87/1323830187.db2.gz OXCDQPTWCDAGJM-WBVHZDCISA-N 2 0 336.480 2.184 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001279150569 1323841022 /nfs/dbraw/zinc/84/10/22/1323841022.db2.gz VVAIILRGSMKOGN-APWZRJJASA-N 2 0 331.504 2.498 10 0 EEAERP CCC[NH2+]CC1(NC(=O)c2ccc(CC[NH+](C)C)cc2)CCOCC1 ZINC001281266549 1324924165 /nfs/dbraw/zinc/92/41/65/1324924165.db2.gz ORFPXSTVHUJYHO-UHFFFAOYSA-N 2 0 347.503 2.069 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCOC)CC1(C)C ZINC001281568756 1325296766 /nfs/dbraw/zinc/29/67/66/1325296766.db2.gz XWHIFNJUHGJPMM-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCc2cccs2)C2CC2)C1 ZINC001276687427 1325353192 /nfs/dbraw/zinc/35/31/92/1325353192.db2.gz RSCPBBNPTAFXCY-PBHICJAKSA-N 2 0 335.517 2.117 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)CC(C)(C)C ZINC001283080969 1325912221 /nfs/dbraw/zinc/91/22/21/1325912221.db2.gz YAXVLYJAYWGKQY-JOCQHMNTSA-N 2 0 337.430 2.401 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001283147758 1325934894 /nfs/dbraw/zinc/93/48/94/1325934894.db2.gz XLRKDLQFBGUYMS-DZGCQCFKSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCOc1ccccc1 ZINC001283665060 1326190539 /nfs/dbraw/zinc/19/05/39/1326190539.db2.gz IFDFGKXEQUNTOD-SQNIBIBYSA-N 2 0 347.503 2.232 10 0 EEAERP COc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283714550 1326215497 /nfs/dbraw/zinc/21/54/97/1326215497.db2.gz NXMOLILGNXQIDV-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC001283912878 1326317372 /nfs/dbraw/zinc/31/73/72/1326317372.db2.gz GEQCIBVYRDRQSG-SJLPKXTDSA-N 2 0 349.523 2.074 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001284031138 1326371494 /nfs/dbraw/zinc/37/14/94/1326371494.db2.gz JBLRATMKZCMBCI-ZWKOTPCHSA-N 2 0 347.503 2.293 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001284131932 1326425704 /nfs/dbraw/zinc/42/57/04/1326425704.db2.gz OFLFAHAUAHQSBU-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1c(F)cccc1Cl ZINC001491640406 1330194209 /nfs/dbraw/zinc/19/42/09/1330194209.db2.gz SMKDPCGOMVNLLN-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001316668737 1330254139 /nfs/dbraw/zinc/25/41/39/1330254139.db2.gz HEOFMMZJSSHCBA-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001491790199 1330256765 /nfs/dbraw/zinc/25/67/65/1330256765.db2.gz BFZBVOUAKYVBRX-CRAIPNDOSA-N 2 0 349.906 2.415 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC001491830905 1330267465 /nfs/dbraw/zinc/26/74/65/1330267465.db2.gz BHRWIUUATKMGHC-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCOC2CCCCCC2)C1 ZINC001491833347 1330268309 /nfs/dbraw/zinc/26/83/09/1330268309.db2.gz YFEVCPUJCHPXQI-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001491859258 1330276695 /nfs/dbraw/zinc/27/66/95/1330276695.db2.gz RWQDDHAXHIYPGK-OAHLLOKOSA-N 2 0 338.883 2.013 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001491891839 1330292049 /nfs/dbraw/zinc/29/20/49/1330292049.db2.gz OQHJEOJHSFFOIT-CVEARBPZSA-N 2 0 336.480 2.150 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316772428 1331829518 /nfs/dbraw/zinc/82/95/18/1331829518.db2.gz OOARGIOYKDHCFX-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1nc2ccccc2o1)C1CCC1 ZINC001316828186 1331918468 /nfs/dbraw/zinc/91/84/68/1331918468.db2.gz KTPVZKAASRZYBI-UHFFFAOYSA-N 2 0 344.459 2.250 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317143420 1332097911 /nfs/dbraw/zinc/09/79/11/1332097911.db2.gz LYISBBLEDXDNMO-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ncccn1 ZINC001317163214 1332106843 /nfs/dbraw/zinc/10/68/43/1332106843.db2.gz SJHIVIPKLOAKTG-DLBZAZTESA-N 2 0 347.507 2.098 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317177430 1332115699 /nfs/dbraw/zinc/11/56/99/1332115699.db2.gz HNZXOWCEHDSIRZ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379507 1332205748 /nfs/dbraw/zinc/20/57/48/1332205748.db2.gz OPPYKCOHDNUPAE-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C2([NH+](C)C)CCC2)co1 ZINC001317423476 1332227311 /nfs/dbraw/zinc/22/73/11/1332227311.db2.gz LNXPCHUUKGHIAG-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001317631592 1332338108 /nfs/dbraw/zinc/33/81/08/1332338108.db2.gz ZMOBOXONPTVLCH-APWZRJJASA-N 2 0 331.504 2.180 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)s1 ZINC001317635883 1332340692 /nfs/dbraw/zinc/34/06/92/1332340692.db2.gz IDFBNXUCKDXTEG-CQSZACIVSA-N 2 0 338.521 2.264 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)C12CC[NH+](CC1)C2 ZINC001317652639 1332350737 /nfs/dbraw/zinc/35/07/37/1332350737.db2.gz CEEORAHWOQUHLC-UHFFFAOYSA-N 2 0 339.842 2.123 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661874 1332356207 /nfs/dbraw/zinc/35/62/07/1332356207.db2.gz PYIHLMSLCBJJEC-CYBMUJFWSA-N 2 0 341.858 2.021 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317684672 1332371734 /nfs/dbraw/zinc/37/17/34/1332371734.db2.gz CKNFRJZUSARJQE-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317955101 1332450997 /nfs/dbraw/zinc/45/09/97/1332450997.db2.gz DQGHVRVMXNEMEQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001318725657 1332583356 /nfs/dbraw/zinc/58/33/56/1332583356.db2.gz ATMIDRYAVQZCBO-YJBOKZPZSA-N 2 0 327.488 2.341 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001318806546 1332602301 /nfs/dbraw/zinc/60/23/01/1332602301.db2.gz UUWFXEIFZANATR-MRXNPFEDSA-N 2 0 325.472 2.193 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cscn2)C1 ZINC001318825990 1332605593 /nfs/dbraw/zinc/60/55/93/1332605593.db2.gz LOODRCBTBXEBPI-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001319124194 1332652582 /nfs/dbraw/zinc/65/25/82/1332652582.db2.gz GMZLTPDSDXUDOS-RTBURBONSA-N 2 0 331.504 2.458 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001319658130 1332735349 /nfs/dbraw/zinc/73/53/49/1332735349.db2.gz WJLSTORQIUGDFL-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001319713660 1332748600 /nfs/dbraw/zinc/74/86/00/1332748600.db2.gz LHYJVOWTUCLLAL-ZWKOTPCHSA-N 2 0 346.519 2.449 10 0 EEAERP COCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319769664 1332763458 /nfs/dbraw/zinc/76/34/58/1332763458.db2.gz NDIQXLVVVUJXPD-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1OC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320640784 1332927102 /nfs/dbraw/zinc/92/71/02/1332927102.db2.gz UXRVDGGACXZOSI-NVXWUHKLSA-N 2 0 345.487 2.164 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001320645994 1332928742 /nfs/dbraw/zinc/92/87/42/1332928742.db2.gz VHTXBHDFWBQPNH-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320902266 1332975621 /nfs/dbraw/zinc/97/56/21/1332975621.db2.gz QWMLZRGLTAEVDX-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001321406143 1333096517 /nfs/dbraw/zinc/09/65/17/1333096517.db2.gz UUALAOBKXYCSEX-SNAWJCMRSA-N 2 0 329.488 2.470 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001322792637 1333327110 /nfs/dbraw/zinc/32/71/10/1333327110.db2.gz KFEYVGIBOBZPKS-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001324340366 1333661693 /nfs/dbraw/zinc/66/16/93/1333661693.db2.gz SYVQAJVTHLRHMM-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC2)[C@H]1c1ccc(F)cc1 ZINC001324410555 1333676866 /nfs/dbraw/zinc/67/68/66/1333676866.db2.gz RHMJPBDRGIFLTH-QZTJIDSGSA-N 2 0 348.466 2.356 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324671364 1333736027 /nfs/dbraw/zinc/73/60/27/1333736027.db2.gz CRLHBCFXGKYJJG-HXUWFJFHSA-N 2 0 347.503 2.369 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001326429515 1334092443 /nfs/dbraw/zinc/09/24/43/1334092443.db2.gz FAKWLELLGTUZCP-OLZOCXBDSA-N 2 0 334.291 2.085 10 0 EEAERP CC/C=C\CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001328491265 1334467322 /nfs/dbraw/zinc/46/73/22/1334467322.db2.gz ASXOGMZZVQQBGM-ARJAWSKDSA-N 2 0 349.519 2.132 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001330911376 1334925288 /nfs/dbraw/zinc/92/52/88/1334925288.db2.gz QJMJYZOMDCMHDV-CYBMUJFWSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)oc1C ZINC001330912156 1334925432 /nfs/dbraw/zinc/92/54/32/1334925432.db2.gz VIHSIQPWIDAZDM-ZDUSSCGKSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1ccc(CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001330976967 1334939473 /nfs/dbraw/zinc/93/94/73/1334939473.db2.gz MZEQIYQNQPHQKB-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001331900341 1335670528 /nfs/dbraw/zinc/67/05/28/1335670528.db2.gz AFQHTAYXHICRQS-GDBMZVCRSA-N 2 0 327.432 2.260 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001331917913 1335674271 /nfs/dbraw/zinc/67/42/71/1335674271.db2.gz JOIBSOYKJRBWJZ-IEBWSBKVSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001331996672 1335700060 /nfs/dbraw/zinc/70/00/60/1335700060.db2.gz NEJIYMBGYVHUPJ-IRXDYDNUSA-N 2 0 345.487 2.129 10 0 EEAERP COCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332279669 1335790306 /nfs/dbraw/zinc/79/03/06/1335790306.db2.gz IMMZIRXBPVGWGQ-HZPDHXFCSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001502754159 1342229312 /nfs/dbraw/zinc/22/93/12/1342229312.db2.gz MCCPZCKJPHKJSB-STQMWFEESA-N 2 0 336.307 2.474 10 0 EEAERP COCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001673972421 1356766333 /nfs/dbraw/zinc/76/63/33/1356766333.db2.gz UPROQVOFCUBUJB-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC001565020072 1342552106 /nfs/dbraw/zinc/55/21/06/1342552106.db2.gz DPSFVGLVVSVMSU-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001675920034 1357070137 /nfs/dbraw/zinc/07/01/37/1357070137.db2.gz MHNQYFDCMGRIMG-INIZCTEOSA-N 2 0 348.491 2.234 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001567267826 1342729176 /nfs/dbraw/zinc/72/91/76/1342729176.db2.gz YVFGJQNZTVUXTM-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP CN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567546417 1342783186 /nfs/dbraw/zinc/78/31/86/1342783186.db2.gz JEDNYIGWANYNQA-IBGZPJMESA-N 2 0 340.471 2.267 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001568775766 1342854049 /nfs/dbraw/zinc/85/40/49/1342854049.db2.gz KPELKKHWVWNQHT-INIZCTEOSA-N 2 0 341.883 2.324 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001569995375 1342993391 /nfs/dbraw/zinc/99/33/91/1342993391.db2.gz SSATUACWRJTRKP-GTBONMDNSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCCCF ZINC001570446818 1343071855 /nfs/dbraw/zinc/07/18/55/1343071855.db2.gz ZELWIOBESRAQIF-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP CCc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001676318818 1357134529 /nfs/dbraw/zinc/13/45/29/1357134529.db2.gz UGINCCSLLDUFMP-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001677051935 1357271056 /nfs/dbraw/zinc/27/10/56/1357271056.db2.gz JDFDQUBUXZMTJQ-CABCVRRESA-N 2 0 347.425 2.275 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC001647003476 1353100070 /nfs/dbraw/zinc/10/00/70/1353100070.db2.gz BAXDYUAVIMGAQF-IPMKNSEASA-N 2 0 327.472 2.352 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])nc2)CC1 ZINC001647247055 1353205766 /nfs/dbraw/zinc/20/57/66/1353205766.db2.gz AAGDSOWXJCCVBX-SJORKVTESA-N 2 0 345.491 2.068 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCO[C@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001649454985 1353514422 /nfs/dbraw/zinc/51/44/22/1353514422.db2.gz BKCYLKQFHXRSRH-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[C@H](C)[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC001650014808 1353688363 /nfs/dbraw/zinc/68/83/63/1353688363.db2.gz JIISYJGJONUFPP-DOTOQJQBSA-N 2 0 343.475 2.274 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001671252305 1354024761 /nfs/dbraw/zinc/02/47/61/1354024761.db2.gz WFJYZYIUCYPTNV-SJORKVTESA-N 2 0 337.508 2.033 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001660369196 1354451109 /nfs/dbraw/zinc/45/11/09/1354451109.db2.gz RKCFRJCUZOYDJZ-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001661807628 1354700601 /nfs/dbraw/zinc/70/06/01/1354700601.db2.gz DHDGVIMWSLFNEC-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001661972043 1354730651 /nfs/dbraw/zinc/73/06/51/1354730651.db2.gz MPPXXQKVTMQWAA-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1Cl ZINC001662415159 1354793157 /nfs/dbraw/zinc/79/31/57/1354793157.db2.gz PTKSAVSLVGRWLJ-GOEBONIOSA-N 2 0 337.895 2.319 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001662765052 1354841276 /nfs/dbraw/zinc/84/12/76/1354841276.db2.gz COKFALZRYUWQAG-IAGOWNOFSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCC2)c(C)n1 ZINC001664391941 1355152920 /nfs/dbraw/zinc/15/29/20/1355152920.db2.gz UVGPQPHNRFFIII-UHFFFAOYSA-N 2 0 332.492 2.122 10 0 EEAERP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@@H]1CCn2ccnc2C1 ZINC001665934099 1355412553 /nfs/dbraw/zinc/41/25/53/1355412553.db2.gz XIAUKJYSBQMKQR-NMNMAYGDSA-N 2 0 336.867 2.217 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001666651041 1355559019 /nfs/dbraw/zinc/55/90/19/1355559019.db2.gz ANXWZNHHDPWPNX-CJNGLKHVSA-N 2 0 340.899 2.163 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001667203859 1355672899 /nfs/dbraw/zinc/67/28/99/1355672899.db2.gz MIYGXYKNGVADKA-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001668605258 1355971645 /nfs/dbraw/zinc/97/16/45/1355971645.db2.gz VTFPETCRPWGAKP-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001668828222 1356014745 /nfs/dbraw/zinc/01/47/45/1356014745.db2.gz OGTGIQCIHJFAOS-AIMAZDRCSA-N 2 0 349.425 2.069 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001668834151 1356016891 /nfs/dbraw/zinc/01/68/91/1356016891.db2.gz RVZMLLFJFRIVEX-SQLJOLKNSA-N 2 0 337.414 2.067 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1 ZINC001669411668 1356156373 /nfs/dbraw/zinc/15/63/73/1356156373.db2.gz RXPICEZBFUGORU-IEBWSBKVSA-N 2 0 347.503 2.423 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)CC1 ZINC001671559195 1356362746 /nfs/dbraw/zinc/36/27/46/1356362746.db2.gz PKUDAYDEVLACQW-KRWDZBQOSA-N 2 0 327.488 2.341 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CC[NH2+]CCCCCF)C1 ZINC001672795363 1356585560 /nfs/dbraw/zinc/58/55/60/1356585560.db2.gz BDPSVYGXJXFODV-SJLPKXTDSA-N 2 0 339.499 2.296 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC001672816879 1356591646 /nfs/dbraw/zinc/59/16/46/1356591646.db2.gz YLRPVKDLVHVIHK-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673238235 1356656385 /nfs/dbraw/zinc/65/63/85/1356656385.db2.gz NYVWBHRBBHOHNK-HOTGVXAUSA-N 2 0 337.508 2.057 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001673396766 1356684376 /nfs/dbraw/zinc/68/43/76/1356684376.db2.gz KKWHQVYGNNKFBJ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NC1CC(C[NH2+]CCCCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001674599289 1356862348 /nfs/dbraw/zinc/86/23/48/1356862348.db2.gz DQOABDKDOFMGAM-UHFFFAOYSA-N 2 0 347.425 2.299 10 0 EEAERP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001674749470 1356888981 /nfs/dbraw/zinc/88/89/81/1356888981.db2.gz ZOSMUFVAQWVGJU-HOTGVXAUSA-N 2 0 341.540 2.406 10 0 EEAERP CC/C=C/CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001675423331 1356977843 /nfs/dbraw/zinc/97/78/43/1356977843.db2.gz XODDPXFFIJTESP-ZMBJWTFHSA-N 2 0 349.519 2.130 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699106548 1405260527 /nfs/dbraw/zinc/26/05/27/1405260527.db2.gz NBXWPRKJHHBHRV-NSHDSACASA-N 2 0 344.912 2.265 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001699550161 1405385048 /nfs/dbraw/zinc/38/50/48/1405385048.db2.gz FDVVARREXVQUCP-KBPBESRZSA-N 2 0 339.430 2.416 10 0 EEAERP C[C@@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699843102 1405522083 /nfs/dbraw/zinc/52/20/83/1405522083.db2.gz RVPYCKXBRXWJKE-HNNXBMFYSA-N 2 0 347.425 2.395 10 0 EEAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001699987313 1405634683 /nfs/dbraw/zinc/63/46/83/1405634683.db2.gz KICKWEKMKSWJNF-BBWFWOEESA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925839424 779292769 /nfs/dbraw/zinc/29/27/69/779292769.db2.gz QYOOVYYPTMCFTI-YPMHNXCESA-N 2 0 327.270 2.112 10 0 EEAERP CC[NH+](CC)Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000907651907 784776624 /nfs/dbraw/zinc/77/66/24/784776624.db2.gz NJRZQKIDGJTCIF-IBGZPJMESA-N 2 0 333.476 2.314 10 0 EEAERP C[N@H+](CCOc1cccc(C[NH2+]C[C@H](O)C2CC2)c1)C1CCOCC1 ZINC000819012743 785362500 /nfs/dbraw/zinc/36/25/00/785362500.db2.gz JXBDNEQHWVSJFS-FQEVSTJZSA-N 2 0 348.487 2.037 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+]CC3(O)CCCCC3)cc2)CC1 ZINC000819065659 785407920 /nfs/dbraw/zinc/40/79/20/785407920.db2.gz MCSTWQWUTWTQDI-UHFFFAOYSA-N 2 0 332.488 2.428 10 0 EEAERP OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000923006158 788532658 /nfs/dbraw/zinc/53/26/58/788532658.db2.gz COPVPQMBUBFIAB-MSEWRSJXSA-N 2 0 334.423 2.450 10 0 EEAERP C[NH+]1C[C@]2(C)CN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C[C@@]2(C)C1 ZINC000913280936 788743382 /nfs/dbraw/zinc/74/33/82/788743382.db2.gz IPSHMKGPUFVMFC-NHCUHLMSSA-N 2 0 341.499 2.235 10 0 EEAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923420348 789536140 /nfs/dbraw/zinc/53/61/40/789536140.db2.gz HZIUVYYKQMQANR-BIMULSAOSA-N 2 0 333.259 2.449 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000845036204 789537617 /nfs/dbraw/zinc/53/76/17/789537617.db2.gz FCWYFGFJTWFMJW-KRWDZBQOSA-N 2 0 326.529 2.241 10 0 EEAERP CCc1ccc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)cc1 ZINC000923462135 789598558 /nfs/dbraw/zinc/59/85/58/789598558.db2.gz CWEITWKOLVPZPL-UHFFFAOYSA-N 2 0 330.501 2.367 10 0 EEAERP CC[C@](O)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000929764020 794410397 /nfs/dbraw/zinc/41/03/97/794410397.db2.gz ZWONVWOYEZWZFI-HNNXBMFYSA-N 2 0 338.414 2.267 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000913980867 794689452 /nfs/dbraw/zinc/68/94/52/794689452.db2.gz BMWSZUQPNYNRLU-GOSISDBHSA-N 2 0 345.491 2.000 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000925346124 795367769 /nfs/dbraw/zinc/36/77/69/795367769.db2.gz ZCIWSNOLFRAVBW-DAXOMENPSA-N 2 0 338.883 2.335 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000925346130 795367951 /nfs/dbraw/zinc/36/79/51/795367951.db2.gz ZCIWSNOLFRAVBW-UHOFOFEASA-N 2 0 338.883 2.335 10 0 EEAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc(Br)c[nH]2)C[C@H](C)O1 ZINC000921761766 795789571 /nfs/dbraw/zinc/78/95/71/795789571.db2.gz YNLCOOYBUFSSGX-TXEJJXNPSA-N 2 0 345.285 2.151 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCCNc2ccc(C)cn2)CC1 ZINC000915678221 796358143 /nfs/dbraw/zinc/35/81/43/796358143.db2.gz LWVAFSDHEUZPFZ-UHFFFAOYSA-N 2 0 333.480 2.223 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]C2CCOCC2)c2c1OC(F)(F)O2 ZINC000823708511 798759606 /nfs/dbraw/zinc/75/96/06/798759606.db2.gz BUWGSRGCDGUXQY-UHFFFAOYSA-N 2 0 328.359 2.338 10 0 EEAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCOCC1 ZINC000922743930 801811252 /nfs/dbraw/zinc/81/12/52/801811252.db2.gz AAWPMISUZUYPMM-HKUYNNGSSA-N 2 0 331.504 2.207 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C)nn3C)cn2)CC1 ZINC000793524213 810380993 /nfs/dbraw/zinc/38/09/93/810380993.db2.gz KSXRZPCEHMDIMD-INIZCTEOSA-N 2 0 342.491 2.116 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001566122132 1125570458 /nfs/dbraw/zinc/57/04/58/1125570458.db2.gz KYSKTJOUERDNGV-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CCCCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001566124964 1125573296 /nfs/dbraw/zinc/57/32/96/1125573296.db2.gz OVTBRTHOIBVQCC-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(CF)cc1 ZINC001566508852 1125678686 /nfs/dbraw/zinc/67/86/86/1125678686.db2.gz RWWZCOZGZUAOAT-GOSISDBHSA-N 2 0 335.467 2.436 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1OC1CC1 ZINC001566516239 1125687031 /nfs/dbraw/zinc/68/70/31/1125687031.db2.gz DNJKZRGIPOZLIG-KRWDZBQOSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001566518325 1125690957 /nfs/dbraw/zinc/69/09/57/1125690957.db2.gz DGQAULLXWOOCTE-ZIAGYGMSSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001566595955 1125788202 /nfs/dbraw/zinc/78/82/02/1125788202.db2.gz QOCWOFZXDTZCNC-UHFFFAOYSA-N 2 0 344.503 2.203 10 0 EEAERP CC[C@@H](C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)OC ZINC001436476295 1087947187 /nfs/dbraw/zinc/94/71/87/1087947187.db2.gz NCNNADMAFJYZJU-IRXDYDNUSA-N 2 0 327.513 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001436841710 1088476472 /nfs/dbraw/zinc/47/64/72/1088476472.db2.gz MSOQQAMVTAKBGO-QGZVFWFLSA-N 2 0 335.467 2.448 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)[NH+](C)C ZINC001436923457 1088583569 /nfs/dbraw/zinc/58/35/69/1088583569.db2.gz DQAUFIBURJPVJC-LNLFQRSKSA-N 2 0 342.487 2.491 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001436999273 1088747918 /nfs/dbraw/zinc/74/79/18/1088747918.db2.gz MQNLTAYQVJDYDQ-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001437058045 1088954388 /nfs/dbraw/zinc/95/43/88/1088954388.db2.gz GUMGHEHPJDQTCK-CVEARBPZSA-N 2 0 348.466 2.033 10 0 EEAERP CCc1nocc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001437327869 1089499350 /nfs/dbraw/zinc/49/93/50/1089499350.db2.gz VXDMWZNFFGOUHB-HZPDHXFCSA-N 2 0 336.480 2.094 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2ncccc2c1 ZINC001437423967 1089711230 /nfs/dbraw/zinc/71/12/30/1089711230.db2.gz UFODOTKXVHKKAZ-MRXNPFEDSA-N 2 0 340.471 2.315 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001437460299 1089775265 /nfs/dbraw/zinc/77/52/65/1089775265.db2.gz AIECDAVSLJDPPY-WMLDXEAASA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C[C@H]2CCCC(F)(F)C2)CCC1 ZINC001437470736 1089806584 /nfs/dbraw/zinc/80/65/84/1089806584.db2.gz HOOOACGTNSNSAO-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccccc1N(C)C ZINC001437567673 1090046805 /nfs/dbraw/zinc/04/68/05/1090046805.db2.gz YGYRJCBNWPZMCS-IRXDYDNUSA-N 2 0 346.519 2.173 10 0 EEAERP CO[C@@H](C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C)C1CCCC1 ZINC001437698385 1090242283 /nfs/dbraw/zinc/24/22/83/1090242283.db2.gz NSZDIXMINUHSIA-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001437943976 1090538802 /nfs/dbraw/zinc/53/88/02/1090538802.db2.gz BVYYABBQHQPPNT-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001437989295 1090585927 /nfs/dbraw/zinc/58/59/27/1090585927.db2.gz HSDXJJSPKLJCNK-LJQANCHMSA-N 2 0 331.504 2.270 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cc(C)no1 ZINC001438320215 1090795681 /nfs/dbraw/zinc/79/56/81/1090795681.db2.gz CVFXAZBRKDSHLT-WBVHZDCISA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc2ccccc2o1 ZINC001438466362 1090973005 /nfs/dbraw/zinc/97/30/05/1090973005.db2.gz ONYQCGSSBAUYSJ-OAHLLOKOSA-N 2 0 344.459 2.250 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC001438545321 1091037401 /nfs/dbraw/zinc/03/74/01/1091037401.db2.gz BHRHNAPCEUOZTC-AWEZNQCLSA-N 2 0 344.459 2.200 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438668768 1091157663 /nfs/dbraw/zinc/15/76/63/1091157663.db2.gz VGMZOXFMFQQSJQ-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438723948 1091253752 /nfs/dbraw/zinc/25/37/52/1091253752.db2.gz RZOGHBOQSSPTSI-JSGCOSHPSA-N 2 0 341.858 2.367 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1sc(C)nc1C ZINC001445499044 1091275955 /nfs/dbraw/zinc/27/59/55/1091275955.db2.gz JTMSHAAJYHPYCM-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\c1ccccc1 ZINC001438835990 1091463224 /nfs/dbraw/zinc/46/32/24/1091463224.db2.gz CMOFANBRJZNTQI-OEKCSINQSA-N 2 0 329.488 2.382 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C/Cl ZINC001438837916 1091466835 /nfs/dbraw/zinc/46/68/35/1091466835.db2.gz UTQPROUDUPXLGA-CKMOMWRASA-N 2 0 336.307 2.378 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1F)[NH+](C)C ZINC001439129991 1091775680 /nfs/dbraw/zinc/77/56/80/1091775680.db2.gz IUXKQRPYEQTJRV-TYNCELHUSA-N 2 0 327.419 2.460 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccn1)c1ccccc1 ZINC001439165433 1091811018 /nfs/dbraw/zinc/81/10/18/1091811018.db2.gz DSEFYHPFVKTTBS-VQIMIIECSA-N 2 0 340.471 2.369 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1 ZINC001439464502 1092248117 /nfs/dbraw/zinc/24/81/17/1092248117.db2.gz WXKHQBQXVWMNPM-ATZDWAIDSA-N 2 0 329.488 2.320 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC001439550270 1092421305 /nfs/dbraw/zinc/42/13/05/1092421305.db2.gz WTHWIFRRGVYTQP-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276875 1092427495 /nfs/dbraw/zinc/42/74/95/1092427495.db2.gz NBTTUUWNQDYJCO-ZIAGYGMSSA-N 2 0 348.491 2.223 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001446293766 1092454434 /nfs/dbraw/zinc/45/44/34/1092454434.db2.gz IJDIPECJOUHEME-GJZGRUSLSA-N 2 0 330.476 2.001 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001446332252 1092536284 /nfs/dbraw/zinc/53/62/84/1092536284.db2.gz PMBRWKAUQYATCJ-UHFFFAOYSA-N 2 0 348.491 2.058 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439937957 1093033283 /nfs/dbraw/zinc/03/32/83/1093033283.db2.gz ZRHHAPRQXLIBQK-YJBOKZPZSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cncc(C)c1)C2 ZINC001440111314 1093171483 /nfs/dbraw/zinc/17/14/83/1093171483.db2.gz NSQUXIFUNXUJQJ-UHOSZYNNSA-N 2 0 344.503 2.201 10 0 EEAERP C[C@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001440123911 1093184633 /nfs/dbraw/zinc/18/46/33/1093184633.db2.gz SIGXSGVNDSUYDJ-NXOAAHMSSA-N 2 0 339.499 2.436 10 0 EEAERP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001440203961 1093274749 /nfs/dbraw/zinc/27/47/49/1093274749.db2.gz RAMXCGMJDFIJJO-QZTJIDSGSA-N 2 0 348.491 2.197 10 0 EEAERP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]3C2)o1 ZINC001448477833 1093495649 /nfs/dbraw/zinc/49/56/49/1093495649.db2.gz WCPXUOCJWPTXBX-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001440371853 1093538940 /nfs/dbraw/zinc/53/89/40/1093538940.db2.gz RPRRZOSLSPSJCG-KZNAEPCWSA-N 2 0 347.478 2.460 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)cc1C ZINC001440401636 1093587315 /nfs/dbraw/zinc/58/73/15/1093587315.db2.gz XUGGYQRYSHZCAC-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1cnc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)o1 ZINC001448556674 1093600322 /nfs/dbraw/zinc/60/03/22/1093600322.db2.gz BMKHOXMYDVYUQW-CVEARBPZSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCO)C1)c1ccccc1 ZINC001440462332 1093681945 /nfs/dbraw/zinc/68/19/45/1093681945.db2.gz DRISBFUNEWMGTG-RBUKOAKNSA-N 2 0 347.503 2.033 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001448666534 1093734340 /nfs/dbraw/zinc/73/43/40/1093734340.db2.gz AUWJDUPZZQODIQ-GDBMZVCRSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@@H]1CCOC1 ZINC001448707248 1093774408 /nfs/dbraw/zinc/77/44/08/1093774408.db2.gz WXHSMOHRZSSTDA-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001448712629 1093784057 /nfs/dbraw/zinc/78/40/57/1093784057.db2.gz DSHVNNGZCGUZNG-HNNXBMFYSA-N 2 0 334.508 2.402 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001440625675 1093896247 /nfs/dbraw/zinc/89/62/47/1093896247.db2.gz LTDBDLAEQVZFJK-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001440692409 1093945149 /nfs/dbraw/zinc/94/51/49/1093945149.db2.gz SEDZKLJVORJBQN-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)C4(C[NH+](C)C)CC4)CCC[C@H]23)C1 ZINC001449014329 1094016004 /nfs/dbraw/zinc/01/60/04/1094016004.db2.gz ONIIDWPISRHXFE-QCECMTGHSA-N 2 0 333.520 2.488 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(Cc2ccc(F)cn2)[C@@H]1C ZINC001449024785 1094031479 /nfs/dbraw/zinc/03/14/79/1094031479.db2.gz FXSYQYUILSUUSN-PBHICJAKSA-N 2 0 336.455 2.030 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001440856161 1094116462 /nfs/dbraw/zinc/11/64/62/1094116462.db2.gz BSSHBOPCTVEOIN-CTWPCTMYSA-N 2 0 347.503 2.031 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1conc1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441124115 1094447080 /nfs/dbraw/zinc/44/70/80/1094447080.db2.gz ZIPFFXRQMQXPIM-IAGOWNOFSA-N 2 0 336.480 2.232 10 0 EEAERP CCc1cccc(C[NH+]2CC([C@@H](C)NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001441194851 1094553677 /nfs/dbraw/zinc/55/36/77/1094553677.db2.gz IYNUISBIJLPQEQ-MRXNPFEDSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)c1 ZINC001441260016 1094662956 /nfs/dbraw/zinc/66/29/56/1094662956.db2.gz XCDSVOPHMZMNAW-RTBURBONSA-N 2 0 329.488 2.240 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)c1 ZINC001441260011 1094663343 /nfs/dbraw/zinc/66/33/43/1094663343.db2.gz XCDSVOPHMZMNAW-RBUKOAKNSA-N 2 0 329.488 2.240 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cncs1 ZINC001441448631 1095086447 /nfs/dbraw/zinc/08/64/47/1095086447.db2.gz USDXXZUMPWTORJ-GOOCMWNKSA-N 2 0 336.505 2.097 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001441483986 1095157049 /nfs/dbraw/zinc/15/70/49/1095157049.db2.gz CQSBYGSMGBJXHE-KSZLIROESA-N 2 0 333.451 2.437 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001441504798 1095189237 /nfs/dbraw/zinc/18/92/37/1095189237.db2.gz MWDNUBJESMYLRT-IYBDPMFKSA-N 2 0 335.517 2.444 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001441565992 1095324788 /nfs/dbraw/zinc/32/47/88/1095324788.db2.gz MDWRCICXELLFLL-KBPBESRZSA-N 2 0 333.411 2.066 10 0 EEAERP CC[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001441645777 1095590170 /nfs/dbraw/zinc/59/01/70/1095590170.db2.gz NWLIETGGNCOQJS-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@H](C)C[NH2+]C1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001441733974 1095718420 /nfs/dbraw/zinc/71/84/20/1095718420.db2.gz LQGXQMZVSRQOTK-ZLPCBKJTSA-N 2 0 349.523 2.121 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCOC1CCC1)CC2 ZINC001441861931 1095963646 /nfs/dbraw/zinc/96/36/46/1095963646.db2.gz KFUSBYKVXFORRM-IEBWSBKVSA-N 2 0 337.508 2.009 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[C@H](Cc2ccccc2)[NH2+]CCF)CC[N@@H+]1C ZINC001441894451 1096036061 /nfs/dbraw/zinc/03/60/61/1096036061.db2.gz IROHBZTYWLERHG-KBAYOESNSA-N 2 0 335.467 2.003 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cscc1Br ZINC001441928558 1096115715 /nfs/dbraw/zinc/11/57/15/1096115715.db2.gz BMCZJBMGSIYGJA-JTQLQIEISA-N 2 0 348.310 2.057 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001441934735 1096126613 /nfs/dbraw/zinc/12/66/13/1096126613.db2.gz XWDQWVZKHCPLIA-CABCVRRESA-N 2 0 325.472 2.190 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001441982043 1096185886 /nfs/dbraw/zinc/18/58/86/1096185886.db2.gz ALLOFAICTYAAES-CXAGYDPISA-N 2 0 336.480 2.149 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CC[C@@H]3CCCC3(F)F)C2)CC1 ZINC001442103541 1096328481 /nfs/dbraw/zinc/32/84/81/1096328481.db2.gz KDQYYSKSEHKVCX-GJZGRUSLSA-N 2 0 343.462 2.344 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3cncs3)C2)CCC1 ZINC001442170674 1096434711 /nfs/dbraw/zinc/43/47/11/1096434711.db2.gz CYCCQRSAWKFWSP-KBPBESRZSA-N 2 0 336.505 2.144 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001442182390 1096451448 /nfs/dbraw/zinc/45/14/48/1096451448.db2.gz UYJMBVZRRPIHTQ-JKSUJKDBSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)n1 ZINC001442187530 1096460139 /nfs/dbraw/zinc/46/01/39/1096460139.db2.gz UHCDFDJVTWVIND-CYBMUJFWSA-N 2 0 326.510 2.024 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001442216521 1096508013 /nfs/dbraw/zinc/50/80/13/1096508013.db2.gz RHKLMWVESDYSMG-IAGOWNOFSA-N 2 0 339.524 2.065 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001442228055 1096525788 /nfs/dbraw/zinc/52/57/88/1096525788.db2.gz VDMGSMFWFCMCKJ-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001442294614 1096611039 /nfs/dbraw/zinc/61/10/39/1096611039.db2.gz LLJZBNBADWTKGX-HZPDHXFCSA-N 2 0 335.467 2.194 10 0 EEAERP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001442559248 1096922460 /nfs/dbraw/zinc/92/24/60/1096922460.db2.gz IOTXFMZHARPIKZ-LJQANCHMSA-N 2 0 347.503 2.297 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@H]1CCc2c1cc(F)cc2F ZINC001442582974 1096949090 /nfs/dbraw/zinc/94/90/90/1096949090.db2.gz WJBQBMHIWLIKAO-KRWDZBQOSA-N 2 0 339.430 2.342 10 0 EEAERP Cc1cc(CN(C)CCNC(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001442602151 1096972090 /nfs/dbraw/zinc/97/20/90/1096972090.db2.gz LWQXVVDMWCHWAT-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1cccnc1C ZINC001442928919 1097338917 /nfs/dbraw/zinc/33/89/17/1097338917.db2.gz CZJQZASZZMBJAF-RBUKOAKNSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](CCNC(=O)Cn1ccnc1C)C[C@@H]1CCC(F)(F)C1 ZINC001442971128 1097394508 /nfs/dbraw/zinc/39/45/08/1097394508.db2.gz DGZKSLCBVNJTHD-OAHLLOKOSA-N 2 0 342.434 2.455 10 0 EEAERP CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)C12CC[NH+](CC1)C2 ZINC001443104003 1097516392 /nfs/dbraw/zinc/51/63/92/1097516392.db2.gz TYZXGSPEYYFFOH-KRWDZBQOSA-N 2 0 349.425 2.096 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001443188482 1097633093 /nfs/dbraw/zinc/63/30/93/1097633093.db2.gz ORCCKLWPNIJCDD-KBPBESRZSA-N 2 0 335.414 2.203 10 0 EEAERP COc1cccc([C@@H](C)N2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001443484202 1097980582 /nfs/dbraw/zinc/98/05/82/1097980582.db2.gz WPFXFXJQKYMYEJ-QAPCUYQASA-N 2 0 345.487 2.431 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ocnc1C ZINC001444002907 1098517694 /nfs/dbraw/zinc/51/76/94/1098517694.db2.gz JVBWMPKDKITZKL-CVEARBPZSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1)[NH+](C)C ZINC001479486846 1098560731 /nfs/dbraw/zinc/56/07/31/1098560731.db2.gz LLDVEZREIVPVCS-ARFHVFGLSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1cncc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)c1 ZINC001444160830 1098708675 /nfs/dbraw/zinc/70/86/75/1098708675.db2.gz KQZCNCYUYYEPIR-YLJYHZDGSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1cncc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)c1 ZINC001444160814 1098709782 /nfs/dbraw/zinc/70/97/82/1098709782.db2.gz KQZCNCYUYYEPIR-FXAWDEMLSA-N 2 0 346.519 2.496 10 0 EEAERP CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001479742301 1098865685 /nfs/dbraw/zinc/86/56/85/1098865685.db2.gz YKQNGCXGXBJEPI-CQSZACIVSA-N 2 0 338.521 2.258 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001444374151 1098949308 /nfs/dbraw/zinc/94/93/08/1098949308.db2.gz BVZDSTKYOZFCBQ-HNNXBMFYSA-N 2 0 335.467 2.318 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2cccc(F)c2F)CCC1 ZINC001479775103 1098951764 /nfs/dbraw/zinc/95/17/64/1098951764.db2.gz PNXMTYMDZCVPPB-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1ccnn1C ZINC001479856049 1099159137 /nfs/dbraw/zinc/15/91/37/1099159137.db2.gz LGZAVXVVPRRXOZ-QGZVFWFLSA-N 2 0 349.523 2.013 10 0 EEAERP COc1ccc(C[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)cc1 ZINC001444557590 1099356882 /nfs/dbraw/zinc/35/68/82/1099356882.db2.gz GFWZFJQNXVLYSL-UHFFFAOYSA-N 2 0 345.487 2.071 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC001479956851 1099395212 /nfs/dbraw/zinc/39/52/12/1099395212.db2.gz ZZEIGDRHOHYVNG-MJGOQNOKSA-N 2 0 345.487 2.130 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001444619274 1099446389 /nfs/dbraw/zinc/44/63/89/1099446389.db2.gz YOPBMPVPYGUXGD-ZFWWWQNUSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001480020493 1099498313 /nfs/dbraw/zinc/49/83/13/1099498313.db2.gz ISTRTJQXTPGXGN-GDBMZVCRSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2ncccc2c1)N(C)C(=O)CC[NH+](C)C ZINC001444675634 1099519325 /nfs/dbraw/zinc/51/93/25/1099519325.db2.gz YGLZPCZSYYKQGL-OAHLLOKOSA-N 2 0 328.460 2.123 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001480060592 1099585079 /nfs/dbraw/zinc/58/50/79/1099585079.db2.gz SOIBZFIXIUZGLG-QFBILLFUSA-N 2 0 344.503 2.025 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001480064311 1099594931 /nfs/dbraw/zinc/59/49/31/1099594931.db2.gz APJPWBSEYHFSLI-KRWDZBQOSA-N 2 0 339.430 2.289 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCF)C1 ZINC001480078661 1099623792 /nfs/dbraw/zinc/62/37/92/1099623792.db2.gz VVZCXALOWRIPPD-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001480111029 1099678041 /nfs/dbraw/zinc/67/80/41/1099678041.db2.gz UAEHVHZADCMHRK-IRXDYDNUSA-N 2 0 339.430 2.196 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001480167243 1099742703 /nfs/dbraw/zinc/74/27/03/1099742703.db2.gz JJMXXEJNURFAPY-WGSAOQKQSA-N 2 0 341.499 2.260 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001480167686 1099743135 /nfs/dbraw/zinc/74/31/35/1099743135.db2.gz NTBYNCVUBDKHRU-UBILZTTLSA-N 2 0 325.456 2.032 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001444893140 1099937819 /nfs/dbraw/zinc/93/78/19/1099937819.db2.gz OLGSMTVHMBRSKA-INIZCTEOSA-N 2 0 348.491 2.089 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001480293762 1100007619 /nfs/dbraw/zinc/00/76/19/1100007619.db2.gz AXNYWNPZICIFKR-LBPRGKRZSA-N 2 0 344.912 2.076 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1N(C)C ZINC001444940695 1100054370 /nfs/dbraw/zinc/05/43/70/1100054370.db2.gz UIGKRQAHLBTKID-GOSISDBHSA-N 2 0 346.519 2.079 10 0 EEAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001444986224 1100113912 /nfs/dbraw/zinc/11/39/12/1100113912.db2.gz HJZJMFARSAURQU-FQEVSTJZSA-N 2 0 343.515 2.481 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC001480412901 1100231368 /nfs/dbraw/zinc/23/13/68/1100231368.db2.gz OZZODPUSGBOVDD-UHFFFAOYSA-N 2 0 336.455 2.078 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001496228850 1100787521 /nfs/dbraw/zinc/78/75/21/1100787521.db2.gz DFDQIOUUYWACPW-GFCCVEGCSA-N 2 0 329.897 2.434 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001496252283 1100821335 /nfs/dbraw/zinc/82/13/35/1100821335.db2.gz XSKURKOCCJKYFV-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)C[NH+]3CCC(C)CC3)CCCC2)o1 ZINC001495195548 1100874452 /nfs/dbraw/zinc/87/44/52/1100874452.db2.gz RVXZIUZKPSSFKZ-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP CN1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229655 1100919084 /nfs/dbraw/zinc/91/90/84/1100919084.db2.gz JOCKJAXYIVLORU-AZUAARDMSA-N 2 0 349.519 2.082 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)[C@H](C)C1 ZINC001496376224 1100968481 /nfs/dbraw/zinc/96/84/81/1100968481.db2.gz PNOVHMLOAYQUBC-GDBMZVCRSA-N 2 0 348.491 2.219 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297113 1100997236 /nfs/dbraw/zinc/99/72/36/1100997236.db2.gz DVJNYLQFLALMKY-YWZLYKJASA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)o1 ZINC001495322897 1101028727 /nfs/dbraw/zinc/02/87/27/1101028727.db2.gz ZZTYRTHGHSVYBC-KSSFIOAISA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449677 1101041753 /nfs/dbraw/zinc/04/17/53/1101041753.db2.gz PEYSUXYDRAHTCR-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1oncc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001446602956 1101098934 /nfs/dbraw/zinc/09/89/34/1101098934.db2.gz PQTCCJSBPUTOFB-QOKNQOGYSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001446614526 1101117866 /nfs/dbraw/zinc/11/78/66/1101117866.db2.gz QSMNMVIJGZQIIQ-OXQOHEQNSA-N 2 0 344.503 2.060 10 0 EEAERP COCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001446675301 1101214668 /nfs/dbraw/zinc/21/46/68/1101214668.db2.gz YZHVRZZRUYGKIJ-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001495665066 1101406597 /nfs/dbraw/zinc/40/65/97/1101406597.db2.gz JWJZIKUQZGZIPS-OXJNMPFZSA-N 2 0 343.515 2.487 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]Cc1c(F)cccc1F ZINC001495743183 1101514310 /nfs/dbraw/zinc/51/43/10/1101514310.db2.gz NCWCCFGHBRPCGZ-KBPBESRZSA-N 2 0 339.430 2.149 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001496861187 1101623892 /nfs/dbraw/zinc/62/38/92/1101623892.db2.gz FSVPRKUHMMXZPS-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001446945806 1101636642 /nfs/dbraw/zinc/63/66/42/1101636642.db2.gz OSFOGXGYSNYSLY-SJORKVTESA-N 2 0 349.523 2.131 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1OC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497152312 1102035384 /nfs/dbraw/zinc/03/53/84/1102035384.db2.gz ASNGPKQFQBMYOY-YJBOKZPZSA-N 2 0 345.487 2.306 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001447153945 1102097434 /nfs/dbraw/zinc/09/74/34/1102097434.db2.gz JUKKOQQCJVIKLC-HNNXBMFYSA-N 2 0 335.467 2.361 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497208599 1102129863 /nfs/dbraw/zinc/12/98/63/1102129863.db2.gz SBBFHVQQMCSUJD-WMLDXEAASA-N 2 0 336.455 2.080 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497213558 1102135886 /nfs/dbraw/zinc/13/58/86/1102135886.db2.gz BTSHRQGOWKYJSU-RDJZCZTQSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497299846 1102278379 /nfs/dbraw/zinc/27/83/79/1102278379.db2.gz VFJCXYNEOVFAPQ-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001447462516 1102691693 /nfs/dbraw/zinc/69/16/93/1102691693.db2.gz AARZWAIONORZBS-ICSRJNTNSA-N 2 0 347.503 2.033 10 0 EEAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CC[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC001447563612 1102870355 /nfs/dbraw/zinc/87/03/55/1102870355.db2.gz HUAOGWYWOZSFAO-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C\CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001497672709 1102873482 /nfs/dbraw/zinc/87/34/82/1102873482.db2.gz CMRWLRVPNUZYGB-ARJAWSKDSA-N 2 0 329.488 2.141 10 0 EEAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)[NH+]1CCCCCC1 ZINC001497691276 1102911421 /nfs/dbraw/zinc/91/14/21/1102911421.db2.gz KYUDXLTZUAQDLX-NNTXTVRGSA-N 2 0 335.414 2.465 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001497728420 1102976779 /nfs/dbraw/zinc/97/67/79/1102976779.db2.gz SAEUVLKRCTYGHD-REMYHPOOSA-N 2 0 327.472 2.414 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C/C=C/Cl)C2)C1 ZINC001447780201 1103317637 /nfs/dbraw/zinc/31/76/37/1103317637.db2.gz XQQRDONMSURNGR-NBZFBGEYSA-N 2 0 327.900 2.251 10 0 EEAERP Cc1nc(C[N@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001494049135 1103427430 /nfs/dbraw/zinc/42/74/30/1103427430.db2.gz VDHQOOPPHZJIMI-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001447860525 1103464904 /nfs/dbraw/zinc/46/49/04/1103464904.db2.gz BAKMHDPOIIODER-CHWSQXEVSA-N 2 0 334.464 2.019 10 0 EEAERP CC[C@H](C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001494150903 1103609719 /nfs/dbraw/zinc/60/97/19/1103609719.db2.gz WQXAXWBCEGCTHZ-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CCF)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001494204885 1103693727 /nfs/dbraw/zinc/69/37/27/1103693727.db2.gz HWSPXUYARZYBRI-IAGOWNOFSA-N 2 0 325.472 2.143 10 0 EEAERP Cc1oncc1C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001448224425 1104209613 /nfs/dbraw/zinc/20/96/13/1104209613.db2.gz AEARYGRSWCBIFU-INIZCTEOSA-N 2 0 348.491 2.234 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1ncc(C)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448243315 1104235134 /nfs/dbraw/zinc/23/51/34/1104235134.db2.gz DOAKGANPBGWHOE-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001448333049 1104410223 /nfs/dbraw/zinc/41/02/23/1104410223.db2.gz JQIGDXFRHNCEMK-OAHLLOKOSA-N 2 0 335.467 2.411 10 0 EEAERP Cc1cc(C[NH+]2CC([C@@H](C)NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001448342588 1104431674 /nfs/dbraw/zinc/43/16/74/1104431674.db2.gz OCDXMRIFDAEWAZ-HUUCEWRRSA-N 2 0 335.517 2.335 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001494986374 1104630607 /nfs/dbraw/zinc/63/06/07/1104630607.db2.gz SQYPYOQFFYTGJL-GJZGRUSLSA-N 2 0 331.451 2.389 10 0 EEAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001494995697 1104638045 /nfs/dbraw/zinc/63/80/45/1104638045.db2.gz XJWAODPCGZXTAV-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001495068179 1104707285 /nfs/dbraw/zinc/70/72/85/1104707285.db2.gz AIWNERZENSQTOE-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001495068178 1104707884 /nfs/dbraw/zinc/70/78/84/1104707884.db2.gz AIWNERZENSQTOE-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)c(C)s1 ZINC001495093711 1104732918 /nfs/dbraw/zinc/73/29/18/1104732918.db2.gz HLCMXQJYILQXJS-LSDHHAIUSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001498042481 1106822398 /nfs/dbraw/zinc/82/23/98/1106822398.db2.gz QDGQKDRVEHXGOS-PKOBYXMFSA-N 2 0 347.503 2.341 10 0 EEAERP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480693173 1106895922 /nfs/dbraw/zinc/89/59/22/1106895922.db2.gz MKEJYVXBDWSXJI-DLBZAZTESA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480773120 1107091308 /nfs/dbraw/zinc/09/13/08/1107091308.db2.gz VAJBYBIGCPPJNS-UKRRQHHQSA-N 2 0 334.464 2.021 10 0 EEAERP Cc1cncn1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC001493117113 1107529194 /nfs/dbraw/zinc/52/91/94/1107529194.db2.gz NLNJNJGFKWHNAH-SFHVURJKSA-N 2 0 344.434 2.442 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001493120648 1107537260 /nfs/dbraw/zinc/53/72/60/1107537260.db2.gz PJAUUFGLXLCFJE-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001498488630 1107622799 /nfs/dbraw/zinc/62/27/99/1107622799.db2.gz JFMBFSORVVCKMY-HOTGVXAUSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001498488626 1107623386 /nfs/dbraw/zinc/62/33/86/1107623386.db2.gz JFMBFSORVVCKMY-CVEARBPZSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+]1CCCCC1 ZINC001498760637 1108044067 /nfs/dbraw/zinc/04/40/67/1108044067.db2.gz ORWBBDKNUPLUMI-WUKHSURWSA-N 2 0 327.900 2.488 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498822829 1108168930 /nfs/dbraw/zinc/16/89/30/1108168930.db2.gz SJVREHGANXZNOX-VQIMIIECSA-N 2 0 339.499 2.483 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001493545394 1108291865 /nfs/dbraw/zinc/29/18/65/1108291865.db2.gz IYHKIKRXQQREJD-QGZVFWFLSA-N 2 0 349.523 2.059 10 0 EEAERP CN(C)c1cccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001493585258 1108358766 /nfs/dbraw/zinc/35/87/66/1108358766.db2.gz UABKLTOSMNJKHD-SFHVURJKSA-N 2 0 346.519 2.175 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001493806359 1108687619 /nfs/dbraw/zinc/68/76/19/1108687619.db2.gz HTALLWITHGQTTB-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP C[C@H]([NH2+]Cc1cncs1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001493838706 1108723109 /nfs/dbraw/zinc/72/31/09/1108723109.db2.gz JLRODYVFUSTAJL-AWEZNQCLSA-N 2 0 338.521 2.202 10 0 EEAERP CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001493848441 1108732190 /nfs/dbraw/zinc/73/21/90/1108732190.db2.gz FCQJDGYQEUKCRN-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1)C(=O)CC[NH+](C)C ZINC001479245234 1110666918 /nfs/dbraw/zinc/66/69/18/1110666918.db2.gz ZFDGDWJSNNPPSW-KRWDZBQOSA-N 2 0 328.460 2.152 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001499228138 1112188682 /nfs/dbraw/zinc/18/86/82/1112188682.db2.gz DMJRDWCFYRRKOE-GOSISDBHSA-N 2 0 345.462 2.214 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccc(OC)cc3)CC2)CC[N@@H+]1C ZINC001499231266 1112191090 /nfs/dbraw/zinc/19/10/90/1112191090.db2.gz XLYWPDPMLNCOEQ-ZWKOTPCHSA-N 2 0 345.487 2.164 10 0 EEAERP CCCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001499535650 1112350091 /nfs/dbraw/zinc/35/00/91/1112350091.db2.gz MFFZJDJXDJWTQI-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001500613180 1112976427 /nfs/dbraw/zinc/97/64/27/1112976427.db2.gz CHXKLNBASYKTDR-KBPBESRZSA-N 2 0 337.430 2.150 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cnc(C)s2)C1 ZINC001501083204 1113192548 /nfs/dbraw/zinc/19/25/48/1113192548.db2.gz FPUUDNHGBOGEBZ-DZGCQCFKSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)sn1 ZINC001501090717 1113195099 /nfs/dbraw/zinc/19/50/99/1113195099.db2.gz HAUUZVGAAVWYQJ-HUUCEWRRSA-N 2 0 338.521 2.118 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001501631842 1113406830 /nfs/dbraw/zinc/40/68/30/1113406830.db2.gz GFZQRRJZHLTSLY-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCOC)CC1 ZINC001501722887 1113449702 /nfs/dbraw/zinc/44/97/02/1113449702.db2.gz JWFJDNBRVXQRIL-BZSNNMDCSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001502014945 1113559208 /nfs/dbraw/zinc/55/92/08/1113559208.db2.gz RKKNXEDIUFYRCI-UHFFFAOYSA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001502147310 1113616259 /nfs/dbraw/zinc/61/62/59/1113616259.db2.gz GUAMYUGQGBJSIS-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCCO2)CC1(C)C ZINC001502838308 1113830233 /nfs/dbraw/zinc/83/02/33/1113830233.db2.gz FMWFKGOSXQNSPD-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001505625277 1114093718 /nfs/dbraw/zinc/09/37/18/1114093718.db2.gz IHKYLTYBVBGENA-OLZOCXBDSA-N 2 0 336.480 2.013 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001505828639 1114218828 /nfs/dbraw/zinc/21/88/28/1114218828.db2.gz ZOZGNZOBYRXBHT-GFCCVEGCSA-N 2 0 336.307 2.474 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCOC1CCC1)[NH+]1CCCCCC1 ZINC001506014620 1114345636 /nfs/dbraw/zinc/34/56/36/1114345636.db2.gz FKPVUNIZGOXIBR-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506015260 1114346109 /nfs/dbraw/zinc/34/61/09/1114346109.db2.gz RFYQTVBKNBABBU-DLBZAZTESA-N 2 0 327.513 2.112 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCCC(F)(F)F)C[C@H]21 ZINC001506815966 1114893098 /nfs/dbraw/zinc/89/30/98/1114893098.db2.gz TXIPNPBXZTXCIY-APIJFGDWSA-N 2 0 347.425 2.107 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506913780 1114968618 /nfs/dbraw/zinc/96/86/18/1114968618.db2.gz JDPWMCVGLCJJJF-CZUORRHYSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001506923053 1114976542 /nfs/dbraw/zinc/97/65/42/1114976542.db2.gz PBAMKUPJLGKWHK-WBVHZDCISA-N 2 0 336.480 2.230 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001506930439 1114982009 /nfs/dbraw/zinc/98/20/09/1114982009.db2.gz VZQLITMEDTXGTF-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506931400 1114982652 /nfs/dbraw/zinc/98/26/52/1114982652.db2.gz ABLZOLKGPRGIDA-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(F)(F)F ZINC001506986107 1115033001 /nfs/dbraw/zinc/03/30/01/1115033001.db2.gz ZJECHAJFWJLSHP-MGPQQGTHSA-N 2 0 337.430 2.400 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001507149910 1115134544 /nfs/dbraw/zinc/13/45/44/1115134544.db2.gz SGTPCALRFUQZKR-LPHOPBHVSA-N 2 0 347.503 2.111 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)CN1C(=O)CC[NH+](C)C ZINC001507316801 1115188433 /nfs/dbraw/zinc/18/84/33/1115188433.db2.gz DRMZICBVZDQOQJ-RDJZCZTQSA-N 2 0 347.507 2.029 10 0 EEAERP CC1(C)CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CCCF ZINC001507436941 1115268484 /nfs/dbraw/zinc/26/84/84/1115268484.db2.gz KMNJTQOPVPTHNN-MRXNPFEDSA-N 2 0 345.422 2.067 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001508026346 1115392222 /nfs/dbraw/zinc/39/22/22/1115392222.db2.gz KGCJGHKYUQQHDH-AWEZNQCLSA-N 2 0 331.451 2.248 10 0 EEAERP CC(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508086204 1115416629 /nfs/dbraw/zinc/41/66/29/1115416629.db2.gz OLLQTPQQIDGQCB-UONOGXRCSA-N 2 0 337.430 2.353 10 0 EEAERP Cc1nc(C[NH2+]C2CC(N(C)C(=O)CC[NH+]3CCCCC3)C2)c(C)o1 ZINC001508154173 1115428834 /nfs/dbraw/zinc/42/88/34/1115428834.db2.gz FJDITRVHVZWRMS-UHFFFAOYSA-N 2 0 348.491 2.246 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001567841402 1124137014 /nfs/dbraw/zinc/13/70/14/1124137014.db2.gz ZJHCAXNPKXQOHD-SFHVURJKSA-N 2 0 345.478 2.387 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001568041571 1124246676 /nfs/dbraw/zinc/24/66/76/1124246676.db2.gz RZCGPJWQHDJQHT-CRAIPNDOSA-N 2 0 327.488 2.343 10 0 EEAERP CC(C)OCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001568043131 1124246886 /nfs/dbraw/zinc/24/68/86/1124246886.db2.gz FNTHOQPXNGQCPG-MJGOQNOKSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568172239 1124339116 /nfs/dbraw/zinc/33/91/16/1124339116.db2.gz QFOLQNCGQXJPIU-PXNSSMCTSA-N 2 0 343.515 2.221 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccc1C ZINC001568639617 1124652987 /nfs/dbraw/zinc/65/29/87/1124652987.db2.gz VJZCRMJPHJZTTL-AEFFLSMTSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001568851656 1124872879 /nfs/dbraw/zinc/87/28/79/1124872879.db2.gz IPLHFMRCFRKZBV-ZMGAVLDPSA-N 2 0 329.488 2.406 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)ns1 ZINC001568859210 1124881440 /nfs/dbraw/zinc/88/14/40/1124881440.db2.gz YEXDZSOAEVEOJE-AWFCHZOYSA-N 2 0 336.505 2.088 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001568861783 1124886183 /nfs/dbraw/zinc/88/61/83/1124886183.db2.gz AYHPJGOCQVSYMJ-PLNGDYQASA-N 2 0 349.450 2.081 10 0 EEAERP c1ccc(OCCOCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000151223605 539450626 /nfs/dbraw/zinc/45/06/26/539450626.db2.gz KSROFYKDMHCPIO-UHFFFAOYSA-N 2 0 327.428 2.299 10 0 EEAERP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067921011 215251861 /nfs/dbraw/zinc/25/18/61/215251861.db2.gz ULTNJZOIGWNBSY-AWEZNQCLSA-N 2 0 328.460 2.104 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2nc(C)cs2)CC[NH2+]CC1 ZINC000422705825 240184239 /nfs/dbraw/zinc/18/42/39/240184239.db2.gz SHEDDBHPLUODMS-CHWSQXEVSA-N 2 0 325.478 2.424 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422770755 240217407 /nfs/dbraw/zinc/21/74/07/240217407.db2.gz XEGVZMCCLDVFGF-KGLIPLIRSA-N 2 0 343.418 2.210 10 0 EEAERP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801314 240231928 /nfs/dbraw/zinc/23/19/28/240231928.db2.gz BRLGGBRDVUCSST-VQTJNVASSA-N 2 0 329.488 2.139 10 0 EEAERP CC[NH+]1CCN(c2ccccc2N[C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422922879 240291398 /nfs/dbraw/zinc/29/13/98/240291398.db2.gz RBXYOOZZIHEZJX-IAGOWNOFSA-N 2 0 332.492 2.007 10 0 EEAERP CS[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH+](C)C ZINC000426995009 241362505 /nfs/dbraw/zinc/36/25/05/241362505.db2.gz LVRAJCZMSCDGQI-HUUCEWRRSA-N 2 0 327.538 2.003 10 0 EEAERP CC[NH2+]Cc1cc(Br)cnc1N1CC[NH+](CC)CC1 ZINC000051436655 132181286 /nfs/dbraw/zinc/18/12/86/132181286.db2.gz UXDYSADORHBEAB-UHFFFAOYSA-N 2 0 327.270 2.096 10 0 EEAERP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262666732 152303407 /nfs/dbraw/zinc/30/34/07/152303407.db2.gz KRDCEDLAMDMZIZ-ICSRJNTNSA-N 2 0 347.503 2.066 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352315119 153052470 /nfs/dbraw/zinc/05/24/70/153052470.db2.gz UGVOVBAXYQLNDJ-HZPDHXFCSA-N 2 0 347.569 2.004 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000252734004 160393549 /nfs/dbraw/zinc/39/35/49/160393549.db2.gz XTMRDWONJLKJTA-SJLPKXTDSA-N 2 0 332.492 2.290 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190494040 160161613 /nfs/dbraw/zinc/16/16/13/160161613.db2.gz QDGYNRLLRRJXTJ-GGPKGHCWSA-N 2 0 337.552 2.418 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246316516 160273442 /nfs/dbraw/zinc/27/34/42/160273442.db2.gz NUPBSEZDECDZRN-FGTMMUONSA-N 2 0 348.535 2.399 10 0 EEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000247211124 160315340 /nfs/dbraw/zinc/31/53/40/160315340.db2.gz XUEHWPVYUMEWOP-ROUUACIJSA-N 2 0 329.444 2.404 10 0 EEAERP C[N@H+](CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000247422260 160323917 /nfs/dbraw/zinc/32/39/17/160323917.db2.gz ZBNGEXJODKMHHR-RTBURBONSA-N 2 0 344.503 2.244 10 0 EEAERP CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248389668 160343064 /nfs/dbraw/zinc/34/30/64/160343064.db2.gz BAMILEXVVSKGQW-MXEMCNAFSA-N 2 0 343.515 2.207 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000343441078 161136235 /nfs/dbraw/zinc/13/62/35/161136235.db2.gz IPMKVJVCVWKCKK-KSSFIOAISA-N 2 0 335.467 2.437 10 0 EEAERP CN(C)CC[N@H+](C)CCCN(C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000344076505 161196429 /nfs/dbraw/zinc/19/64/29/161196429.db2.gz VTGBTOUWRDNTBF-UHFFFAOYSA-N 2 0 347.482 2.327 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000344323809 161217428 /nfs/dbraw/zinc/21/74/28/161217428.db2.gz JRPGIYTXAXLXRN-GOSISDBHSA-N 2 0 340.402 2.408 10 0 EEAERP CC[C@@H]1C[C@H](C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000355679771 163267518 /nfs/dbraw/zinc/26/75/18/163267518.db2.gz XVHAYXXHIAQINE-AQNXPRMDSA-N 2 0 332.488 2.418 10 0 EEAERP [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000358941131 164020035 /nfs/dbraw/zinc/02/00/35/164020035.db2.gz XYSQYTMLXRKUBN-UHFFFAOYSA-N 2 0 337.467 2.366 10 0 EEAERP CC[NH+](CC)CCOCCNC(=O)Nc1ccc2nc(C)cn2c1 ZINC000359932861 164199502 /nfs/dbraw/zinc/19/95/02/164199502.db2.gz HYLIUCRMCDNNDG-UHFFFAOYSA-N 2 0 333.436 2.123 10 0 EEAERP NC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000163927805 226029522 /nfs/dbraw/zinc/02/95/22/226029522.db2.gz LOBQAYIDNALZPF-UHFFFAOYSA-N 2 0 330.476 2.305 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897618 227345979 /nfs/dbraw/zinc/34/59/79/227345979.db2.gz UERNBVIXGYBOFE-IAGOWNOFSA-N 2 0 346.475 2.296 10 0 EEAERP O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279623154 269295595 /nfs/dbraw/zinc/29/55/95/269295595.db2.gz KGTYYTNQOFGICS-UHFFFAOYSA-N 2 0 342.487 2.344 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000079096828 279127166 /nfs/dbraw/zinc/12/71/66/279127166.db2.gz CHMIMJXHTGVPQD-QGZVFWFLSA-N 2 0 326.529 2.382 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000368442057 279307777 /nfs/dbraw/zinc/30/77/77/279307777.db2.gz NPTQGJODELPBBG-MRLCAUJQSA-N 2 0 336.524 2.423 10 0 EEAERP C[NH+](C)C1(CNC(=O)NCc2ccc3c[nH+]cn3c2)CCCCC1 ZINC000297956868 294383050 /nfs/dbraw/zinc/38/30/50/294383050.db2.gz WJEQLCQJKXIQPU-UHFFFAOYSA-N 2 0 329.448 2.398 10 0 EEAERP CCCC[C@H](C[NH3+])NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000414738190 313073060 /nfs/dbraw/zinc/07/30/60/313073060.db2.gz OSMGYYXRLBJHRJ-MRXNPFEDSA-N 2 0 347.507 2.468 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCC[NH+]1CCCCC1 ZINC000416877951 313345411 /nfs/dbraw/zinc/34/54/11/313345411.db2.gz DDKPQBCXMOEWDN-GOSISDBHSA-N 2 0 332.492 2.424 10 0 EEAERP CC1CC[NH+](CCCNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000416878979 313346008 /nfs/dbraw/zinc/34/60/08/313346008.db2.gz WLLHUTQBVNVOIK-UHFFFAOYSA-N 2 0 346.519 2.321 10 0 EEAERP CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000416888253 313350477 /nfs/dbraw/zinc/35/04/77/313350477.db2.gz GTZTUWHOSGYNMD-UHFFFAOYSA-N 2 0 330.476 2.176 10 0 EEAERP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416890499 313350997 /nfs/dbraw/zinc/35/09/97/313350997.db2.gz IVXUAAVPQBEHNF-MAUKXSAKSA-N 2 0 330.476 2.161 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000417013627 313394393 /nfs/dbraw/zinc/39/43/93/313394393.db2.gz YWOGTGLZXWXBPV-RTBURBONSA-N 2 0 346.519 2.381 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000417200993 313447121 /nfs/dbraw/zinc/44/71/21/313447121.db2.gz VJFROCTYFXUXIL-KRWDZBQOSA-N 2 0 332.492 2.120 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421348098 314089499 /nfs/dbraw/zinc/08/94/99/314089499.db2.gz DWRXFNXHGCQVJX-INIZCTEOSA-N 2 0 329.488 2.327 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421754552 314156012 /nfs/dbraw/zinc/15/60/12/314156012.db2.gz BSUHACSWBLYJIV-KSZLIROESA-N 2 0 342.487 2.146 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000551983407 318488690 /nfs/dbraw/zinc/48/86/90/318488690.db2.gz OEGXWLURCYXXBC-UHFFFAOYSA-N 2 0 341.503 2.204 10 0 EEAERP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000563423591 319009963 /nfs/dbraw/zinc/00/99/63/319009963.db2.gz GYUCAZPOILHODB-HKUYNNGSSA-N 2 0 329.488 2.470 10 0 EEAERP C[C@]1(CNC(=O)NC2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000563593669 319027007 /nfs/dbraw/zinc/02/70/07/319027007.db2.gz KNJOIWMTXXFDPH-LJQANCHMSA-N 2 0 330.476 2.092 10 0 EEAERP [NH3+]CCC1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000566407859 319282406 /nfs/dbraw/zinc/28/24/06/319282406.db2.gz WKLAEWHZLFHUET-UHFFFAOYSA-N 2 0 329.488 2.430 10 0 EEAERP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000570617782 319681120 /nfs/dbraw/zinc/68/11/20/319681120.db2.gz WBUKTKQOVJMQTP-MAUKXSAKSA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000576815024 320206114 /nfs/dbraw/zinc/20/61/14/320206114.db2.gz VVRJPFYLTMFIBL-KBRIMQKVSA-N 2 0 343.450 2.377 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NCC3([NH3+])CCCCCC3)C2)CC1 ZINC000581180922 324201829 /nfs/dbraw/zinc/20/18/29/324201829.db2.gz YQKOQWBXRSCWME-QGZVFWFLSA-N 2 0 336.524 2.411 10 0 EEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000582121213 324384407 /nfs/dbraw/zinc/38/44/07/324384407.db2.gz YRFPYYJVROQJAI-RDTXWAMCSA-N 2 0 333.476 2.116 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H](c1ccco1)N(C)C ZINC000341465500 465181516 /nfs/dbraw/zinc/18/15/16/465181516.db2.gz RUTOQXNLVWNYNS-OWCLPIDISA-N 2 0 336.480 2.444 10 0 EEAERP O=S1(=O)CCC[C@@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868587 465270566 /nfs/dbraw/zinc/27/05/66/465270566.db2.gz HAEHKEQCTWDRNM-MSOLQXFVSA-N 2 0 342.549 2.399 10 0 EEAERP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091341554 462874226 /nfs/dbraw/zinc/87/42/26/462874226.db2.gz LPHHJMDWQDFRLX-CJNGLKHVSA-N 2 0 341.521 2.351 10 0 EEAERP CN1CC[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000133944460 462986948 /nfs/dbraw/zinc/98/69/48/462986948.db2.gz RNOZZADBVYWBKJ-GJZGRUSLSA-N 2 0 342.846 2.085 10 0 EEAERP C[C@]1(CNC(=O)NC2(C)CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000568491274 468345895 /nfs/dbraw/zinc/34/58/95/468345895.db2.gz SWNOFRJIAPAABI-HXUWFJFHSA-N 2 0 344.503 2.482 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000123173202 463321839 /nfs/dbraw/zinc/32/18/39/463321839.db2.gz RCIRRZHYJVEISX-IAGOWNOFSA-N 2 0 326.529 2.240 10 0 EEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000105845799 463477696 /nfs/dbraw/zinc/47/76/96/463477696.db2.gz LJNCLQOGMFXKGT-NRFANRHFSA-N 2 0 345.531 2.346 10 0 EEAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119229 465435285 /nfs/dbraw/zinc/43/52/85/465435285.db2.gz ZZQRLKDIIMTCNC-MAUKXSAKSA-N 2 0 329.448 2.029 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3nccn3C)CC2)c1 ZINC000263900807 464233721 /nfs/dbraw/zinc/23/37/21/464233721.db2.gz WHNBSEIRLHBACC-UHFFFAOYSA-N 2 0 341.503 2.421 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000292541194 464267416 /nfs/dbraw/zinc/26/74/16/464267416.db2.gz QEJRFIJUMUJNSP-BPQIPLTHSA-N 2 0 332.492 2.460 10 0 EEAERP C[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237238107 464290517 /nfs/dbraw/zinc/29/05/17/464290517.db2.gz XWRRPGVFGLQTJO-CZUORRHYSA-N 2 0 343.393 2.424 10 0 EEAERP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000240555648 464448035 /nfs/dbraw/zinc/44/80/35/464448035.db2.gz GWWPRTAQTSFSQU-BJZITVGISA-N 2 0 342.487 2.173 10 0 EEAERP Cn1ccnc1C[C@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000181524579 464500546 /nfs/dbraw/zinc/50/05/46/464500546.db2.gz GDAYCRQQLGNATF-CQSZACIVSA-N 2 0 328.464 2.271 10 0 EEAERP CCCN(CCC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000190002413 464582625 /nfs/dbraw/zinc/58/26/25/464582625.db2.gz GQDUZTXUCMMYFB-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C ZINC000246483371 464589866 /nfs/dbraw/zinc/58/98/66/464589866.db2.gz VWKKAEIOQPGAOF-CVEARBPZSA-N 2 0 326.529 2.479 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000246501878 464592816 /nfs/dbraw/zinc/59/28/16/464592816.db2.gz SECKJLJXQNHRKY-SJLPKXTDSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)C1 ZINC000246600058 464604101 /nfs/dbraw/zinc/60/41/01/464604101.db2.gz XKBVVPGPQKAPEP-SUMWQHHRSA-N 2 0 336.455 2.399 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471480 464622622 /nfs/dbraw/zinc/62/26/22/464622622.db2.gz LHBRDNSOKNWXGA-IEBWSBKVSA-N 2 0 329.488 2.499 10 0 EEAERP CCC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C ZINC000190582309 464682304 /nfs/dbraw/zinc/68/23/04/464682304.db2.gz QQQRGGIZNFYTON-QZTJIDSGSA-N 2 0 332.492 2.092 10 0 EEAERP C[C@H](C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000274813985 464755766 /nfs/dbraw/zinc/75/57/66/464755766.db2.gz FERBVGPTMAZDRU-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@H+](CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000276082188 464801417 /nfs/dbraw/zinc/80/14/17/464801417.db2.gz VKHFOPHTGNBODX-GOSISDBHSA-N 2 0 344.503 2.379 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339861675 465556148 /nfs/dbraw/zinc/55/61/48/465556148.db2.gz NWUCVLUJYSTPRT-QYZOEREBSA-N 2 0 344.503 2.085 10 0 EEAERP CCn1ncnc1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000366287663 465634195 /nfs/dbraw/zinc/63/41/95/465634195.db2.gz UEMVWHAWOZLIPV-OKZBNKHCSA-N 2 0 325.460 2.298 10 0 EEAERP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361133633 465789206 /nfs/dbraw/zinc/78/92/06/465789206.db2.gz YPEWGVHLWNGCNB-CQSZACIVSA-N 2 0 330.476 2.038 10 0 EEAERP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)CC2)ncn1 ZINC000353518540 465948353 /nfs/dbraw/zinc/94/83/53/465948353.db2.gz LLLQLYUSRQBGRD-QRVBRYPASA-N 2 0 343.519 2.470 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000340557877 466170045 /nfs/dbraw/zinc/17/00/45/466170045.db2.gz NNKVQLDBHSZAFY-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000349702637 466198022 /nfs/dbraw/zinc/19/80/22/466198022.db2.gz LBGDMWCYWBXFHZ-SUMDDJOVSA-N 2 0 336.524 2.375 10 0 EEAERP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCOCC4(CC4)C3)C2)cc1 ZINC000367463643 466355461 /nfs/dbraw/zinc/35/54/61/466355461.db2.gz NDEJJQNEMQGRPG-IBGZPJMESA-N 2 0 330.472 2.390 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@H]2CCC[C@H]21 ZINC000367529115 466394361 /nfs/dbraw/zinc/39/43/61/466394361.db2.gz YRPHTCGAKXPAFQ-FGTMMUONSA-N 2 0 336.501 2.194 10 0 EEAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310080963 466507166 /nfs/dbraw/zinc/50/71/66/466507166.db2.gz JGULWJZURHXLTR-ROUUACIJSA-N 2 0 329.488 2.403 10 0 EEAERP CC1=CC[NH+](CCNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000358200179 466535104 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FGZDCJDALQDBRN-PMRDEQMMSA-N 2 0 336.524 2.421 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)c1ccc(F)cc1 ZINC000662678670 472201180 /nfs/dbraw/zinc/20/11/80/472201180.db2.gz IOLZQWJQWILVRW-ZDUSSCGKSA-N 2 0 334.395 2.040 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417583373 466887125 /nfs/dbraw/zinc/88/71/25/466887125.db2.gz KDFHWMUZXVCZOI-UONOGXRCSA-N 2 0 346.466 2.183 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000370671545 466961295 /nfs/dbraw/zinc/96/12/95/466961295.db2.gz UCTKWKNZJFZOIB-DFQSSKMNSA-N 2 0 331.504 2.207 10 0 EEAERP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417945251 466997587 /nfs/dbraw/zinc/99/75/87/466997587.db2.gz QPOIKNIHRYXQPI-VEHMJYNQSA-N 2 0 342.487 2.356 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418030273 467028078 /nfs/dbraw/zinc/02/80/78/467028078.db2.gz JJNBKNCIOLJVPL-COPLHBTASA-N 2 0 346.397 2.343 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418037484 467030641 /nfs/dbraw/zinc/03/06/41/467030641.db2.gz DGJJDFMFFPEOAJ-ILZDJORESA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418035788 467031036 /nfs/dbraw/zinc/03/10/36/467031036.db2.gz BDUGPKJPYHHYAO-IMFGXOCKSA-N 2 0 344.503 2.420 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccco1 ZINC000418160381 467062660 /nfs/dbraw/zinc/06/26/60/467062660.db2.gz CYQRKJWQBORHOL-NXOAAHMSSA-N 2 0 348.491 2.350 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418171762 467065123 /nfs/dbraw/zinc/06/51/23/467065123.db2.gz VOKKTKJZQFULBY-BXWFABGCSA-N 2 0 348.491 2.494 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418598599 467133534 /nfs/dbraw/zinc/13/35/34/467133534.db2.gz QRKQEOFYSBTRDT-VXNCWWDNSA-N 2 0 344.503 2.289 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418611239 467135721 /nfs/dbraw/zinc/13/57/21/467135721.db2.gz HCHKQKVVJSAQGL-LMMKCTJWSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418748730 467154428 /nfs/dbraw/zinc/15/44/28/467154428.db2.gz LETIOMORWCSODK-HNNXBMFYSA-N 2 0 346.466 2.137 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000420297345 467343399 /nfs/dbraw/zinc/34/33/99/467343399.db2.gz CZOCRKIIOHUVRT-GOSISDBHSA-N 2 0 345.487 2.072 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)(N2CCOCC2)CC1 ZINC000414205229 467390215 /nfs/dbraw/zinc/39/02/15/467390215.db2.gz XCVWNGWNDRAQRF-RTBURBONSA-N 2 0 335.536 2.341 10 0 EEAERP C[C@H](CCn1cccn1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414299665 467399450 /nfs/dbraw/zinc/39/94/50/467399450.db2.gz IEDBBXKZYQKUNQ-GOSISDBHSA-N 2 0 342.487 2.278 10 0 EEAERP COCCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415035122 467471576 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C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000629391611 469529890 /nfs/dbraw/zinc/52/98/90/469529890.db2.gz BPACFGUQZISFOP-ZDUSSCGKSA-N 2 0 327.856 2.191 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000629392392 469530227 /nfs/dbraw/zinc/53/02/27/469530227.db2.gz MLTCGSKSFMNVLD-ZDUSSCGKSA-N 2 0 327.856 2.191 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000629523171 469571440 /nfs/dbraw/zinc/57/14/40/469571440.db2.gz AUNZAQMKRJQECB-UHFFFAOYSA-N 2 0 328.254 2.460 10 0 EEAERP CC[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[NH+](CC)CC ZINC000617113123 469596928 /nfs/dbraw/zinc/59/69/28/469596928.db2.gz YFHPNQPPUGMEOK-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000629656399 469600629 /nfs/dbraw/zinc/60/06/29/469600629.db2.gz OGRFISZJNJTZDF-MNOVXSKESA-N 2 0 328.254 2.330 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623357604 469634446 /nfs/dbraw/zinc/63/44/46/469634446.db2.gz XQGBSQPOLGKEQZ-MRXNPFEDSA-N 2 0 347.503 2.352 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC1(C)C ZINC000623427767 469654177 /nfs/dbraw/zinc/65/41/77/469654177.db2.gz MBCMTEARWLHIBZ-UFYCRDLUSA-N 2 0 345.531 2.332 10 0 EEAERP CCN1CCc2nc(NC(=O)[C@@H]3CCn4cc(C)nc4C3)sc2C1 ZINC000623556592 469692602 /nfs/dbraw/zinc/69/26/02/469692602.db2.gz ONIVRQCXTKNYNK-GFCCVEGCSA-N 2 0 345.472 2.227 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)C1 ZINC000623564001 469694656 /nfs/dbraw/zinc/69/46/56/469694656.db2.gz PFDGTMJTKWPDRY-GOSISDBHSA-N 2 0 336.439 2.419 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000627199335 469841323 /nfs/dbraw/zinc/84/13/23/469841323.db2.gz VRMBPXOYYGPXBX-FUHWJXTLSA-N 2 0 332.492 2.209 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627200714 469842584 /nfs/dbraw/zinc/84/25/84/469842584.db2.gz UAVUEILSVQTWSV-BHIYHBOVSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000608648485 469852821 /nfs/dbraw/zinc/85/28/21/469852821.db2.gz VHIFQLHFIVZJNQ-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000624783952 470021283 /nfs/dbraw/zinc/02/12/83/470021283.db2.gz CDPUCMPGTHHHPQ-MJGOQNOKSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000634745681 470291390 /nfs/dbraw/zinc/29/13/90/470291390.db2.gz PGANXDZQZHOQIS-OYRHEFFESA-N 2 0 341.499 2.357 10 0 EEAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638851696 470305308 /nfs/dbraw/zinc/30/53/08/470305308.db2.gz PPBQEHWBIFSIIL-RCCFBDPRSA-N 2 0 333.451 2.247 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635771434 470748000 /nfs/dbraw/zinc/74/80/00/470748000.db2.gz WHHOOPJQYFSPCZ-KRWDZBQOSA-N 2 0 329.488 2.499 10 0 EEAERP C(=C/C[NH2+][C@H]1CCCn2nccc21)\C[NH2+][C@@H]1CCCn2nccc21 ZINC000640221271 470828169 /nfs/dbraw/zinc/82/81/69/470828169.db2.gz VTPGASRKIRBQOW-YVFUIXNUSA-N 2 0 326.448 2.185 10 0 EEAERP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000650757960 470960425 /nfs/dbraw/zinc/96/04/25/470960425.db2.gz FLZAVCRCHBIGFY-CQSZACIVSA-N 2 0 347.484 2.165 10 0 EEAERP CCCn1nccc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000657378450 471119279 /nfs/dbraw/zinc/11/92/79/471119279.db2.gz WPHUKQQUVYSUHD-UHFFFAOYSA-N 2 0 333.524 2.333 10 0 EEAERP FC(F)Cn1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657537474 471163710 /nfs/dbraw/zinc/16/37/10/471163710.db2.gz MFXLSMVKOMXYSE-UHFFFAOYSA-N 2 0 342.434 2.129 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4nccn43)cc2)C1 ZINC000657594497 471178116 /nfs/dbraw/zinc/17/81/16/471178116.db2.gz AUROIYGJBRCCOC-LJQANCHMSA-N 2 0 336.439 2.191 10 0 EEAERP COc1cc(C)nc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657596954 471180554 /nfs/dbraw/zinc/18/05/54/471180554.db2.gz PRNSCBASCAGDNW-LJQANCHMSA-N 2 0 341.455 2.255 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCn2cncn2)CC1 ZINC000648446493 471207684 /nfs/dbraw/zinc/20/76/84/471207684.db2.gz XJPWQBLIZAOWEC-QGZVFWFLSA-N 2 0 327.476 2.353 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCSCC3)CC2)nc1 ZINC000657870021 471242882 /nfs/dbraw/zinc/24/28/82/471242882.db2.gz MEABRQXTMBEVCV-QGZVFWFLSA-N 2 0 349.548 2.254 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000657919878 471248904 /nfs/dbraw/zinc/24/89/04/471248904.db2.gz RUPNNVCSAQVQAZ-UHFFFAOYSA-N 2 0 339.430 2.155 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000652292022 471268344 /nfs/dbraw/zinc/26/83/44/471268344.db2.gz TVRKSJWHAMHUJP-IBGZPJMESA-N 2 0 338.455 2.174 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490338 471363706 /nfs/dbraw/zinc/36/37/06/471363706.db2.gz RBCXQTRQAKINKE-ZTFGCOKTSA-N 2 0 341.446 2.001 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659033202 471477048 /nfs/dbraw/zinc/47/70/48/471477048.db2.gz IOTFCEZPXUQFGE-PBHICJAKSA-N 2 0 334.464 2.199 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413828 471484967 /nfs/dbraw/zinc/48/49/67/471484967.db2.gz BPYMKBOYHWJYIR-VQIMIIECSA-N 2 0 344.503 2.196 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000655799375 471486024 /nfs/dbraw/zinc/48/60/24/471486024.db2.gz OIBHUVAWNRPVQR-WTGUMLROSA-N 2 0 332.488 2.417 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000669478685 471511534 /nfs/dbraw/zinc/51/15/34/471511534.db2.gz XIJJOYRRKVQCOQ-WAYWQWQTSA-N 2 0 330.476 2.377 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000666755645 471523926 /nfs/dbraw/zinc/52/39/26/471523926.db2.gz BTTRZVLKECXWCL-BZSNNMDCSA-N 2 0 338.540 2.479 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000663849611 471547490 /nfs/dbraw/zinc/54/74/90/471547490.db2.gz TVXPWQILHYBCAL-CVEARBPZSA-N 2 0 336.480 2.398 10 0 EEAERP CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[NH2+]C1 ZINC000659380394 471598711 /nfs/dbraw/zinc/59/87/11/471598711.db2.gz CSJULNDEVKTBKB-KRWDZBQOSA-N 2 0 327.472 2.014 10 0 EEAERP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380959 471598737 /nfs/dbraw/zinc/59/87/37/471598737.db2.gz HXDQQHVHXRGLJG-ZWKOTPCHSA-N 2 0 341.499 2.403 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000656154294 471610942 /nfs/dbraw/zinc/61/09/42/471610942.db2.gz VBNKMGNVCDBLGQ-CFVMTHIKSA-N 2 0 346.393 2.375 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659437639 471628161 /nfs/dbraw/zinc/62/81/61/471628161.db2.gz GBEFAXNMBZOMPA-QZTJIDSGSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)[NH+](C)C ZINC000656196666 471630774 /nfs/dbraw/zinc/63/07/74/471630774.db2.gz KIEBLFJJVHGZIX-IRXDYDNUSA-N 2 0 332.492 2.243 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000670113612 471678707 /nfs/dbraw/zinc/67/87/07/471678707.db2.gz FVOHPWUIWJQRAH-HOTGVXAUSA-N 2 0 338.883 2.336 10 0 EEAERP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659612417 471699388 /nfs/dbraw/zinc/69/93/88/471699388.db2.gz VBUKKYZXKDBJPL-MSOLQXFVSA-N 2 0 342.487 2.031 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000659619432 471700634 /nfs/dbraw/zinc/70/06/34/471700634.db2.gz OYKOHEGDOUXIBX-ZACQAIPSSA-N 2 0 336.455 2.025 10 0 EEAERP CCC[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1CCOC ZINC000667693341 471869819 /nfs/dbraw/zinc/86/98/19/471869819.db2.gz IPIOYAQQORKAPN-GOSISDBHSA-N 2 0 343.475 2.200 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)c1ccco1 ZINC000664875125 471886948 /nfs/dbraw/zinc/88/69/48/471886948.db2.gz WAVBQBNDNKMCMG-ARFHVFGLSA-N 2 0 336.480 2.444 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667888935 471939569 /nfs/dbraw/zinc/93/95/69/471939569.db2.gz LJDQYROBKOTJQX-UYAOXDASSA-N 2 0 330.472 2.300 10 0 EEAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665282890 471989202 /nfs/dbraw/zinc/98/92/02/471989202.db2.gz DLBXJBSDWXVGTF-AABGKKOBSA-N 2 0 330.520 2.052 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662202841 472027013 /nfs/dbraw/zinc/02/70/13/472027013.db2.gz VJEFGRDHHAUXBR-KRWDZBQOSA-N 2 0 329.488 2.249 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(C(C)(C)[NH3+])no3)C2)CC1 ZINC000662698910 472213431 /nfs/dbraw/zinc/21/34/31/472213431.db2.gz TZCMMYAYZYBSSU-HNNXBMFYSA-N 2 0 348.491 2.453 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662777500 472247717 /nfs/dbraw/zinc/24/77/17/472247717.db2.gz GAYIITHBTFXFQF-UHFFFAOYSA-N 2 0 348.422 2.212 10 0 EEAERP [NH3+]C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000662971031 472312523 /nfs/dbraw/zinc/31/25/23/472312523.db2.gz AWUCFNNHHOVXGX-SFHVURJKSA-N 2 0 333.451 2.106 10 0 EEAERP CCOc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000678734486 485489930 /nfs/dbraw/zinc/48/99/30/485489930.db2.gz HTDKYPPSCMVOOS-HNNXBMFYSA-N 2 0 345.487 2.479 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770522 485525879 /nfs/dbraw/zinc/52/58/79/485525879.db2.gz CEFUIPQUFPHRJF-HOTGVXAUSA-N 2 0 338.883 2.336 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673861306 485557537 /nfs/dbraw/zinc/55/75/37/485557537.db2.gz DHNOEVHOXIEUSF-MRXNPFEDSA-N 2 0 328.420 2.215 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000382102299 485667094 /nfs/dbraw/zinc/66/70/94/485667094.db2.gz BUGICRSEVSBSSQ-YJBOKZPZSA-N 2 0 341.455 2.137 10 0 EEAERP Fc1ccc(C[NH+]2CCCC2)cc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC000630050074 485748837 /nfs/dbraw/zinc/74/88/37/485748837.db2.gz BJBHIRZEJJXYJS-UHFFFAOYSA-N 2 0 341.434 2.288 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684334683 485848792 /nfs/dbraw/zinc/84/87/92/485848792.db2.gz MQUDGNVLKCOQGT-YMAMQOFZSA-N 2 0 347.425 2.392 10 0 EEAERP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000684378067 485864206 /nfs/dbraw/zinc/86/42/06/485864206.db2.gz WWUINXWJTJUJRP-ZWKOTPCHSA-N 2 0 333.476 2.025 10 0 EEAERP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000678006960 486546765 /nfs/dbraw/zinc/54/67/65/486546765.db2.gz OSCBVJBXNORPNE-ZIAGYGMSSA-N 2 0 328.420 2.214 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000678278023 486608106 /nfs/dbraw/zinc/60/81/06/486608106.db2.gz SFLQCTWQAMGQKD-RHSMWYFYSA-N 2 0 339.505 2.220 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)OCc2ccccc2)CC1 ZINC000181451647 534078008 /nfs/dbraw/zinc/07/80/08/534078008.db2.gz WPKRUEBUOVMUAX-KRWDZBQOSA-N 2 0 348.487 2.145 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000764605977 577739825 /nfs/dbraw/zinc/73/98/25/577739825.db2.gz IFVGZSMPSJJDDA-MJGOQNOKSA-N 2 0 329.488 2.499 10 0 EEAERP [NH3+]C[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(F)cc1 ZINC000261818170 681543544 /nfs/dbraw/zinc/54/35/44/681543544.db2.gz XOYHHYJIALUREO-HNNXBMFYSA-N 2 0 331.366 2.292 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914338197 683514271 /nfs/dbraw/zinc/51/42/71/683514271.db2.gz UDCUKFGMXQKQFL-WMZOPIPTSA-N 2 0 347.507 2.106 10 0 EEAERP COC(=O)[C@@H]1[C@@H](C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1(F)F ZINC000895467858 684612459 /nfs/dbraw/zinc/61/24/59/684612459.db2.gz OWBDPTLWFFNZOW-CABCVRRESA-N 2 0 332.435 2.341 10 0 EEAERP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCO2 ZINC000151795294 686302834 /nfs/dbraw/zinc/30/28/34/686302834.db2.gz YSZAEROFOCDPLD-GOSISDBHSA-N 2 0 334.460 2.203 10 0 EEAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000897589412 691653083 /nfs/dbraw/zinc/65/30/83/691653083.db2.gz XEJAEVZHQWIXLM-QRVBRYPASA-N 2 0 344.503 2.067 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898613810 693396065 /nfs/dbraw/zinc/39/60/65/693396065.db2.gz UIBBBJCDTJQEAD-GOSISDBHSA-N 2 0 327.472 2.205 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001485537623 1191827452 /nfs/dbraw/zinc/82/74/52/1191827452.db2.gz QFZSJNRHTOOANB-LIRRHRJNSA-N 2 0 345.462 2.345 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](CCCCCF)CC2(C)C)CC1 ZINC001485576735 1191844704 /nfs/dbraw/zinc/84/47/04/1191844704.db2.gz HIQWQOSGOAWAGS-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncc(C[NH2+]CCC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001485728308 1191919817 /nfs/dbraw/zinc/91/98/17/1191919817.db2.gz XOKFATWJNXRXJC-HNNXBMFYSA-N 2 0 348.491 2.234 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccn(CC)n2)CC1 ZINC001485766216 1191940338 /nfs/dbraw/zinc/94/03/38/1191940338.db2.gz CPNOOJKTPZXOFM-UHFFFAOYSA-N 2 0 349.523 2.058 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(F)(F)C1 ZINC001485782402 1191950209 /nfs/dbraw/zinc/95/02/09/1191950209.db2.gz QTULKOGMJBJBNU-CABCVRRESA-N 2 0 331.451 2.246 10 0 EEAERP Cc1nc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)co1 ZINC001485786354 1191952256 /nfs/dbraw/zinc/95/22/56/1191952256.db2.gz NCLFUKFMOHMFHR-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cc(C[NH2+][C@H](CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)C(C)C)on1 ZINC001485791091 1191954085 /nfs/dbraw/zinc/95/40/85/1191954085.db2.gz BGJLVQOALUAZRJ-MJGOQNOKSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)c(C)n1 ZINC001485792778 1191955329 /nfs/dbraw/zinc/95/53/29/1191955329.db2.gz QDOBBXZESJMMNQ-LJQANCHMSA-N 2 0 346.519 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccon1 ZINC001266247538 1176020398 /nfs/dbraw/zinc/02/03/98/1176020398.db2.gz NULBIDDCLAYRST-QZTJIDSGSA-N 2 0 348.491 2.410 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001480866322 1176142724 /nfs/dbraw/zinc/14/27/24/1176142724.db2.gz ZQHIGXPMTMOKHA-LJQANCHMSA-N 2 0 329.488 2.193 10 0 EEAERP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC001266528601 1176750097 /nfs/dbraw/zinc/75/00/97/1176750097.db2.gz SWNVJCCXEIZNKP-CQSZACIVSA-N 2 0 349.441 2.499 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001266602246 1176927722 /nfs/dbraw/zinc/92/77/22/1176927722.db2.gz ZHQCHEVNVVDNEL-FHWLQOOXSA-N 2 0 347.478 2.479 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626762 1177022183 /nfs/dbraw/zinc/02/21/83/1177022183.db2.gz VYFHVTGWJADDTL-TVFCKZIOSA-N 2 0 337.508 2.055 10 0 EEAERP Cc1ccc(CCC[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001266744898 1177337566 /nfs/dbraw/zinc/33/75/66/1177337566.db2.gz WRJHIWHVTMZTAN-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001691317562 1177899031 /nfs/dbraw/zinc/89/90/31/1177899031.db2.gz ZEIJXCKYMWYHQL-QGZVFWFLSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)n1 ZINC001267109571 1178265770 /nfs/dbraw/zinc/26/57/70/1178265770.db2.gz ISQMLDOLFLMSKP-IYBDPMFKSA-N 2 0 332.492 2.119 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccns1)[NH+](C)C ZINC001267173617 1178406342 /nfs/dbraw/zinc/40/63/42/1178406342.db2.gz BDMADPDSAUWLAY-HOCLYGCPSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1nc(C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)C(C)C)c(C)o1 ZINC001267239857 1178582396 /nfs/dbraw/zinc/58/23/96/1178582396.db2.gz SBHAFRRZBSCGQK-KRWDZBQOSA-N 2 0 336.480 2.102 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C[C@@H]1CCOC1)C(C)C ZINC001267340559 1178788052 /nfs/dbraw/zinc/78/80/52/1178788052.db2.gz MHCICGCUHUJYOI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)OC ZINC001691444028 1178824316 /nfs/dbraw/zinc/82/43/16/1178824316.db2.gz HXKBCUPXUGCKPV-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481072026 1179675503 /nfs/dbraw/zinc/67/55/03/1179675503.db2.gz VFDWQWRXBNMXIR-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001481231206 1180362574 /nfs/dbraw/zinc/36/25/74/1180362574.db2.gz SLOCLIUBQGZRCE-DNVCBOLYSA-N 2 0 345.487 2.146 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230902 1180365611 /nfs/dbraw/zinc/36/56/11/1180365611.db2.gz IZTXFOOXVFYPRZ-LJQANCHMSA-N 2 0 329.488 2.009 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC[C@H]3CC3(Cl)Cl)C2)CCC1 ZINC001267744573 1180373502 /nfs/dbraw/zinc/37/35/02/1180373502.db2.gz VPGJYMQZXBCRLO-QWHCGFSZSA-N 2 0 348.318 2.245 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001481252390 1180473861 /nfs/dbraw/zinc/47/38/61/1180473861.db2.gz SQMFJINXXYOHJZ-LJQANCHMSA-N 2 0 346.519 2.367 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCCF)NC(=O)C[N@H+](C)C1CCC1 ZINC001267870160 1180658141 /nfs/dbraw/zinc/65/81/41/1180658141.db2.gz JCYOAWFXQCIPNS-QAPCUYQASA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001267908510 1180744423 /nfs/dbraw/zinc/74/44/23/1180744423.db2.gz GOUDRJJWKDKVIA-UKRRQHHQSA-N 2 0 349.441 2.497 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001481457077 1181408353 /nfs/dbraw/zinc/40/83/53/1181408353.db2.gz JXDPKRTXTBAUIS-WMZOPIPTSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@H+](CCC(F)(F)F)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001481520258 1181634498 /nfs/dbraw/zinc/63/44/98/1181634498.db2.gz IRMBVTLLLIFOJO-OAHLLOKOSA-N 2 0 349.441 2.451 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001268269179 1182117743 /nfs/dbraw/zinc/11/77/43/1182117743.db2.gz LMXJJURDNQNTSB-IRXDYDNUSA-N 2 0 325.472 2.145 10 0 EEAERP COc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)ccc1C ZINC001268351506 1182312267 /nfs/dbraw/zinc/31/22/67/1182312267.db2.gz VHFBUEOLSUNGBD-NVXWUHKLSA-N 2 0 333.476 2.082 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001268374211 1182377937 /nfs/dbraw/zinc/37/79/37/1182377937.db2.gz OQCKGOBRTZMHFZ-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]Cc2ccccn2)ccc2c[nH+]cn21 ZINC001268377591 1182394152 /nfs/dbraw/zinc/39/41/52/1182394152.db2.gz LGNKHYBZVCGTSF-CQSZACIVSA-N 2 0 337.427 2.336 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001268404808 1182514510 /nfs/dbraw/zinc/51/45/10/1182514510.db2.gz WPUOSBOMGAQEGF-IRXDYDNUSA-N 2 0 347.507 2.032 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268414960 1182571480 /nfs/dbraw/zinc/57/14/80/1182571480.db2.gz NMPNWVINKRYPPA-TZMCWYRMSA-N 2 0 326.872 2.060 10 0 EEAERP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268450247 1182633792 /nfs/dbraw/zinc/63/37/92/1182633792.db2.gz IIIJXZGCLPKRCD-ZDUSSCGKSA-N 2 0 334.291 2.085 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001481813020 1182728005 /nfs/dbraw/zinc/72/80/05/1182728005.db2.gz BXHURZBOAPGXKY-BPLDGKMQSA-N 2 0 338.883 2.060 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001481848626 1182784338 /nfs/dbraw/zinc/78/43/38/1182784338.db2.gz PACBMMMJRNGBLP-QFBILLFUSA-N 2 0 331.504 2.228 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]C/C(Cl)=C\Cl ZINC001481852025 1182802901 /nfs/dbraw/zinc/80/29/01/1182802901.db2.gz LQHZMKWCESOAPN-HCEGRNQMSA-N 2 0 345.274 2.327 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268485531 1182959914 /nfs/dbraw/zinc/95/99/14/1182959914.db2.gz FMGABIKSJYHCPJ-HOTGVXAUSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001482101373 1183334205 /nfs/dbraw/zinc/33/42/05/1183334205.db2.gz MJDMRPQFZCXCOU-PKOBYXMFSA-N 2 0 331.504 2.444 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001482102262 1183335709 /nfs/dbraw/zinc/33/57/09/1183335709.db2.gz JHQZJKLAHSPFLS-QANKJYHBSA-N 2 0 348.491 2.124 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]C/C(Cl)=C\Cl ZINC001482136053 1183442131 /nfs/dbraw/zinc/44/21/31/1183442131.db2.gz OECHAUFXUGCPEC-VOFQPLEQSA-N 2 0 336.307 2.378 10 0 EEAERP C[C@H](C[NH2+]CCCC1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268658115 1183584372 /nfs/dbraw/zinc/58/43/72/1183584372.db2.gz GATFJRNLPWCQMH-RYRKJORJSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001268691377 1183615595 /nfs/dbraw/zinc/61/55/95/1183615595.db2.gz WIVOLXUKZROGGV-ZDUSSCGKSA-N 2 0 339.430 2.086 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001268699766 1183622053 /nfs/dbraw/zinc/62/20/53/1183622053.db2.gz BFYPDHBFZQWDEO-KRWDZBQOSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001268821960 1183741351 /nfs/dbraw/zinc/74/13/51/1183741351.db2.gz IIFNWQUDYKDDJI-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847237 1183763474 /nfs/dbraw/zinc/76/34/74/1183763474.db2.gz GACKKKXYHQFSAL-CDVVCGDMSA-N 2 0 333.879 2.390 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297285 1184148570 /nfs/dbraw/zinc/14/85/70/1184148570.db2.gz XBXMWKCJUIBLHM-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccccc1CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001269522897 1184347670 /nfs/dbraw/zinc/34/76/70/1184347670.db2.gz VFFKZWCCYWOYCF-UHFFFAOYSA-N 2 0 341.499 2.262 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001269791759 1184624296 /nfs/dbraw/zinc/62/42/96/1184624296.db2.gz RBQGAUWBYCOVQG-QGZVFWFLSA-N 2 0 339.499 2.440 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001269791357 1184624442 /nfs/dbraw/zinc/62/44/42/1184624442.db2.gz OQUBCLLLFCEPQG-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCCc2ccccc2)C1 ZINC001269887081 1184696246 /nfs/dbraw/zinc/69/62/46/1184696246.db2.gz SJOOGZOHJZYLBA-SFHVURJKSA-N 2 0 329.488 2.104 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001270074360 1184828195 /nfs/dbraw/zinc/82/81/95/1184828195.db2.gz BZCAFBWGIJMOQG-DOTOQJQBSA-N 2 0 335.517 2.356 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C2CCCC2)C1 ZINC001270457597 1185108452 /nfs/dbraw/zinc/10/84/52/1185108452.db2.gz DMQBJMKQQFUMDI-KGLIPLIRSA-N 2 0 335.414 2.155 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001482292261 1185127276 /nfs/dbraw/zinc/12/72/76/1185127276.db2.gz JZACZYXFIGSNND-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP COCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270744933 1185362283 /nfs/dbraw/zinc/36/22/83/1185362283.db2.gz REIKIACBAFFOPB-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCCc2ccsc2)C1 ZINC001270788742 1185389977 /nfs/dbraw/zinc/38/99/77/1185389977.db2.gz LAMKXFSKDGOROS-GOSISDBHSA-N 2 0 337.533 2.461 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270921287 1185742236 /nfs/dbraw/zinc/74/22/36/1185742236.db2.gz HUYVBLKEHBYEIH-WMLDXEAASA-N 2 0 337.895 2.413 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271261988 1186111970 /nfs/dbraw/zinc/11/19/70/1186111970.db2.gz WQDBOOLGJJFRHX-LSDHHAIUSA-N 2 0 349.441 2.401 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001271609602 1186337600 /nfs/dbraw/zinc/33/76/00/1186337600.db2.gz QOSRKSOUKOEQAC-HOTGVXAUSA-N 2 0 348.491 2.050 10 0 EEAERP COCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001482508581 1186426244 /nfs/dbraw/zinc/42/62/44/1186426244.db2.gz CEYXOQJUSPTBLE-CALCHBBNSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272042362 1187229786 /nfs/dbraw/zinc/22/97/86/1187229786.db2.gz DGUUGJGPDDBIDW-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1nc(C)oc1C ZINC001482696255 1187666525 /nfs/dbraw/zinc/66/65/25/1187666525.db2.gz VLMOPBRKDMCHKJ-HOTGVXAUSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1 ZINC001482847621 1187765626 /nfs/dbraw/zinc/76/56/26/1187765626.db2.gz GNRGNHWEIJSBBK-GJZGRUSLSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccns1 ZINC001482848484 1187767378 /nfs/dbraw/zinc/76/73/78/1187767378.db2.gz OABUSNIAVPLYOZ-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP CCc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001482850214 1187769221 /nfs/dbraw/zinc/76/92/21/1187769221.db2.gz FQHXILJJQHJMIL-AWEZNQCLSA-N 2 0 348.491 2.158 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001482876395 1187795693 /nfs/dbraw/zinc/79/56/93/1187795693.db2.gz JLRSFZTVFNQKAG-MRXNPFEDSA-N 2 0 346.519 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)o1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482957147 1187883801 /nfs/dbraw/zinc/88/38/01/1187883801.db2.gz YSRUBZURBOHEHS-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)sn1 ZINC001483013308 1187997278 /nfs/dbraw/zinc/99/72/78/1187997278.db2.gz ZATVFVKALQCZEK-YIEVGGLXSA-N 2 0 336.505 2.086 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001483032576 1188053577 /nfs/dbraw/zinc/05/35/77/1188053577.db2.gz PLDVFGNMVIWYGZ-ONEGZZNKSA-N 2 0 348.516 2.150 10 0 EEAERP CN(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cn1)c1ccccc1 ZINC001691623352 1188322701 /nfs/dbraw/zinc/32/27/01/1188322701.db2.gz UAUKNEJPWFQRRM-SFHVURJKSA-N 2 0 344.434 2.072 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001483094188 1188462327 /nfs/dbraw/zinc/46/23/27/1188462327.db2.gz YXFHMSWRBATXRC-RCAFFNEUSA-N 2 0 349.906 2.486 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C1([NH+](C)C)CCC1 ZINC001272830431 1193568016 /nfs/dbraw/zinc/56/80/16/1193568016.db2.gz PNIYLOAKMIFWHU-OAHLLOKOSA-N 2 0 345.487 2.186 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001272844636 1193573847 /nfs/dbraw/zinc/57/38/47/1193573847.db2.gz HVWKQCVTVVCDSM-WBMJQRKESA-N 2 0 340.537 2.331 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272864911 1193583411 /nfs/dbraw/zinc/58/34/11/1193583411.db2.gz JGKNQTCUEKESRQ-SUMWQHHRSA-N 2 0 334.464 2.021 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001272873135 1193587926 /nfs/dbraw/zinc/58/79/26/1193587926.db2.gz HEEJCIPKIPTSFW-SJLPKXTDSA-N 2 0 340.471 2.439 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CC[C@H]1CC1(Cl)Cl)C(=O)CC[NH+](C)C ZINC001691655775 1193591100 /nfs/dbraw/zinc/59/11/00/1193591100.db2.gz BHTSFGOBJVWBIN-STQMWFEESA-N 2 0 336.307 2.055 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2ccnc2)s1 ZINC001409403714 1189630657 /nfs/dbraw/zinc/63/06/57/1189630657.db2.gz YLLFWVUWGAQGDW-NWDGAFQWSA-N 2 0 335.477 2.030 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001409414006 1189645351 /nfs/dbraw/zinc/64/53/51/1189645351.db2.gz PRDXYCHNNYIJNM-VXGBXAGGSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOCc1ccccc1 ZINC001485893939 1193632404 /nfs/dbraw/zinc/63/24/04/1193632404.db2.gz XXSNAOZQTMHYRO-PKOBYXMFSA-N 2 0 347.503 2.124 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474563 1189792037 /nfs/dbraw/zinc/79/20/37/1189792037.db2.gz PSGWMRPNBHOEDX-KBPBESRZSA-N 2 0 341.446 2.330 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)cn1 ZINC001485929787 1193649222 /nfs/dbraw/zinc/64/92/22/1193649222.db2.gz DUCCWWXEHBXIHS-CVEARBPZSA-N 2 0 347.507 2.014 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1C)[NH+](C)C ZINC001409577141 1190061369 /nfs/dbraw/zinc/06/13/69/1190061369.db2.gz NLWBAOWNCRYDSN-RHSMWYFYSA-N 2 0 335.492 2.280 10 0 EEAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001483356848 1190395511 /nfs/dbraw/zinc/39/55/11/1190395511.db2.gz MGUIVXSHGNIEOE-DOTOQJQBSA-N 2 0 330.476 2.382 10 0 EEAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483361655 1190400564 /nfs/dbraw/zinc/40/05/64/1190400564.db2.gz LFTVTSBTMNDDJI-HNNXBMFYSA-N 2 0 327.432 2.284 10 0 EEAERP C[C@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCn1ccnc1 ZINC001483371898 1190415489 /nfs/dbraw/zinc/41/54/89/1190415489.db2.gz XPXZTXHRTSADDN-CRAIPNDOSA-N 2 0 326.444 2.397 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)s1 ZINC001483382287 1190428199 /nfs/dbraw/zinc/42/81/99/1190428199.db2.gz BAIMDIRICBKLGD-STQMWFEESA-N 2 0 338.521 2.038 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCc2ccsc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486129659 1193689595 /nfs/dbraw/zinc/68/95/95/1193689595.db2.gz NUBOCRNRHULAGG-NVXWUHKLSA-N 2 0 347.528 2.356 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001483743776 1190895263 /nfs/dbraw/zinc/89/52/63/1190895263.db2.gz CMARCYDXYFXNFV-DOTOQJQBSA-N 2 0 346.475 2.047 10 0 EEAERP O=C(CCc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001483932799 1191122969 /nfs/dbraw/zinc/12/29/69/1191122969.db2.gz QNPHNFDEJOYDPC-SFHVURJKSA-N 2 0 326.444 2.166 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCOCC2)C1)[NH+](CC)CC ZINC001484058117 1191180591 /nfs/dbraw/zinc/18/05/91/1191180591.db2.gz PKGQGKSQXPLECV-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484093356 1191207484 /nfs/dbraw/zinc/20/74/84/1191207484.db2.gz GXLONXMZLIZEIK-UYAOXDASSA-N 2 0 333.520 2.347 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCOC)C1 ZINC001484173553 1191252105 /nfs/dbraw/zinc/25/21/05/1191252105.db2.gz GABPYAKNQDVNJB-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001484185751 1191264309 /nfs/dbraw/zinc/26/43/09/1191264309.db2.gz WNLVCMCUORBRDX-ZWKOTPCHSA-N 2 0 349.519 2.058 10 0 EEAERP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001484198215 1191269749 /nfs/dbraw/zinc/26/97/49/1191269749.db2.gz QHNWXILHBGMCGU-CVEARBPZSA-N 2 0 339.430 2.383 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001484547443 1191408803 /nfs/dbraw/zinc/40/88/03/1191408803.db2.gz QJNYCAYJCTVRAO-INIZCTEOSA-N 2 0 325.472 2.050 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001484574405 1191422906 /nfs/dbraw/zinc/42/29/06/1191422906.db2.gz BDBUWDROJUKBOT-AIKGRSRUSA-N 2 0 327.900 2.345 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]C2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC2)O1 ZINC001484638729 1191454064 /nfs/dbraw/zinc/45/40/64/1191454064.db2.gz HGQWIYJRFCISDS-DLBZAZTESA-N 2 0 349.519 2.058 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484728451 1191487289 /nfs/dbraw/zinc/48/72/89/1191487289.db2.gz PFEBSPRMKAIJTI-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484830208 1191538000 /nfs/dbraw/zinc/53/80/00/1191538000.db2.gz LEIXKFOMYXCBDD-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001485067470 1191635720 /nfs/dbraw/zinc/63/57/20/1191635720.db2.gz OMNHPRGFGSFELI-OKZBNKHCSA-N 2 0 339.524 2.065 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CCCF)C2)CCCCC1 ZINC001485097808 1191654609 /nfs/dbraw/zinc/65/46/09/1191654609.db2.gz PNJFAWDEAYDMKL-UHFFFAOYSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485161270 1191674569 /nfs/dbraw/zinc/67/45/69/1191674569.db2.gz BIZUOXRVQSWTAJ-CABCVRRESA-N 2 0 348.466 2.080 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)cc2)C(C)(C)C1 ZINC001486246093 1193772440 /nfs/dbraw/zinc/77/24/40/1193772440.db2.gz DBPVFGCEWWKLAZ-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@H](C(=O)NCC1=CC[N@H+](CCCF)CC1)[NH+]1CCCCCC1 ZINC001486516504 1194022821 /nfs/dbraw/zinc/02/28/21/1194022821.db2.gz JUUMJLCSYXXRSZ-MRXNPFEDSA-N 2 0 325.472 2.359 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001486521667 1194044525 /nfs/dbraw/zinc/04/45/25/1194044525.db2.gz IRPIPDLLHVMHNP-SFHVURJKSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001273123245 1194406710 /nfs/dbraw/zinc/40/67/10/1194406710.db2.gz PPQWBXZBWJIKGN-DOMZBBRYSA-N 2 0 338.521 2.086 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccncc2Cl)C1 ZINC001410221028 1197613169 /nfs/dbraw/zinc/61/31/69/1197613169.db2.gz RIQOXHOKCOHMFD-CTYIDZIISA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001410307320 1197669867 /nfs/dbraw/zinc/66/98/67/1197669867.db2.gz FJIQEEPKVQAXSA-IEZWGBDMSA-N 2 0 344.503 2.139 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001410310190 1197672673 /nfs/dbraw/zinc/67/26/73/1197672673.db2.gz KYWJVSDXCBMMSR-XJKSGUPXSA-N 2 0 343.462 2.200 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cc(C)no1)C1CC1 ZINC001410318530 1197697832 /nfs/dbraw/zinc/69/78/32/1197697832.db2.gz ZVRXRCSJRASIFP-ZWKOTPCHSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001410438253 1197896458 /nfs/dbraw/zinc/89/64/58/1197896458.db2.gz LOGCBQJVJFZEDJ-CYBMUJFWSA-N 2 0 336.480 2.102 10 0 EEAERP CC(C)CN(CC1CC[NH+](C)CC1)C(=S)NCCC[NH+](C)C ZINC000865272036 1198150389 /nfs/dbraw/zinc/15/03/89/1198150389.db2.gz JVWORQFOKORGGI-UHFFFAOYSA-N 2 0 328.570 2.112 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cncs2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001410866488 1198518137 /nfs/dbraw/zinc/51/81/37/1198518137.db2.gz PPZMRTKFQYYPRB-UONOGXRCSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC001410890613 1198543984 /nfs/dbraw/zinc/54/39/84/1198543984.db2.gz STYCEUNASWAJBQ-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCOCC1)C(C)(C)C ZINC001411213985 1198923135 /nfs/dbraw/zinc/92/31/35/1198923135.db2.gz FPOWLAQMCAHYAP-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cc(C2CC2)no1)C(C)(C)C ZINC001411216162 1198925580 /nfs/dbraw/zinc/92/55/80/1198925580.db2.gz ZIXUPLPUBJUDLM-DLBZAZTESA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)C(CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000875523214 1199282263 /nfs/dbraw/zinc/28/22/63/1199282263.db2.gz PGSZFTATXTWMNQ-IAGOWNOFSA-N 2 0 340.556 2.295 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000811459795 1200071110 /nfs/dbraw/zinc/07/11/10/1200071110.db2.gz OHPMYQUDVYGPOY-YJBOKZPZSA-N 2 0 325.472 2.332 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870023961 1200413410 /nfs/dbraw/zinc/41/34/10/1200413410.db2.gz QDATWMYOVSABTL-QWFCFKBJSA-N 2 0 343.515 2.304 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000870854306 1200912719 /nfs/dbraw/zinc/91/27/19/1200912719.db2.gz SYZVAIVXLUSVIS-IPCDKGFNSA-N 2 0 327.472 2.472 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870874325 1200924241 /nfs/dbraw/zinc/92/42/41/1200924241.db2.gz FVCVTDOOWQAPCV-BXUZGUMPSA-N 2 0 342.281 2.295 10 0 EEAERP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870912042 1200948672 /nfs/dbraw/zinc/94/86/72/1200948672.db2.gz XPTJQYGQAGZOIW-UWVAXJGDSA-N 2 0 342.487 2.274 10 0 EEAERP C[C@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870934776 1200966060 /nfs/dbraw/zinc/96/60/60/1200966060.db2.gz FXQUOHMLZNJUFL-IINYFYTJSA-N 2 0 340.265 2.035 10 0 EEAERP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000867978623 1201718777 /nfs/dbraw/zinc/71/87/77/1201718777.db2.gz QHRNZRXEJBKZQV-KBPBESRZSA-N 2 0 340.265 2.083 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(Cl)n1 ZINC000868036268 1201731493 /nfs/dbraw/zinc/73/14/93/1201731493.db2.gz WHEMCOITLVNQET-YUELXQCFSA-N 2 0 336.867 2.034 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001691727045 1204227527 /nfs/dbraw/zinc/22/75/27/1204227527.db2.gz SZGOBRYWGSWEQO-QZTJIDSGSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccns1)[NH+]1CCCCC1 ZINC001274027255 1204335538 /nfs/dbraw/zinc/33/55/38/1204335538.db2.gz VCYKZRCSBLHCEL-PLNGDYQASA-N 2 0 336.505 2.170 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001274088137 1204364003 /nfs/dbraw/zinc/36/40/03/1204364003.db2.gz GEPZXXNYKPCZGD-XFHJGTJQSA-N 2 0 327.472 2.420 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274105857 1204373330 /nfs/dbraw/zinc/37/33/30/1204373330.db2.gz PZMJEEBZPIPELJ-ZEVQVBBLSA-N 2 0 332.492 2.047 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001274752656 1205153203 /nfs/dbraw/zinc/15/32/03/1205153203.db2.gz GMYADCQGLPJXTI-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001275284581 1205298699 /nfs/dbraw/zinc/29/86/99/1205298699.db2.gz MIWMOWMEXCSJDX-KKXNLOMOSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275405591 1205343927 /nfs/dbraw/zinc/34/39/27/1205343927.db2.gz ICFMRNSNSWKSMC-LSDHHAIUSA-N 2 0 337.895 2.319 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275530058 1205398301 /nfs/dbraw/zinc/39/83/01/1205398301.db2.gz TVPKACHZFMAQCH-CVEARBPZSA-N 2 0 327.513 2.015 10 0 EEAERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001275717648 1205496963 /nfs/dbraw/zinc/49/69/63/1205496963.db2.gz KPDCUEWCDAKZSH-LBPRGKRZSA-N 2 0 325.419 2.353 10 0 EEAERP CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001276175036 1205815280 /nfs/dbraw/zinc/81/52/80/1205815280.db2.gz YWRPCEQHLURKHI-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001276297811 1205872970 /nfs/dbraw/zinc/87/29/70/1205872970.db2.gz MYBSAIKJZIIHDA-UHFFFAOYSA-N 2 0 348.491 2.222 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000924806545 1206034679 /nfs/dbraw/zinc/03/46/79/1206034679.db2.gz CXZPVAUMWBKOCV-IBGZPJMESA-N 2 0 344.503 2.128 10 0 EEAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000924920404 1206051365 /nfs/dbraw/zinc/05/13/65/1206051365.db2.gz NQTWHFZLZIEFAQ-RBUKOAKNSA-N 2 0 347.503 2.129 10 0 EEAERP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC)n1 ZINC000925040381 1206064231 /nfs/dbraw/zinc/06/42/31/1206064231.db2.gz JBNPQWVJWDMLCO-WBVHZDCISA-N 2 0 332.492 2.299 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925563632 1206128744 /nfs/dbraw/zinc/12/87/44/1206128744.db2.gz OTCQGSYCQCDDCT-VHSSKADRSA-N 2 0 343.471 2.265 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000925634958 1206138156 /nfs/dbraw/zinc/13/81/56/1206138156.db2.gz NMPGZEHNICYODH-QRVBRYPASA-N 3 0 331.504 2.249 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)ccn1 ZINC000925655573 1206140651 /nfs/dbraw/zinc/14/06/51/1206140651.db2.gz WJJRYITZSSSLON-IEBWSBKVSA-N 2 0 333.476 2.317 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)ccn1 ZINC000925655572 1206140673 /nfs/dbraw/zinc/14/06/73/1206140673.db2.gz WJJRYITZSSSLON-HKUYNNGSSA-N 2 0 333.476 2.317 10 0 EEAERP Brc1cnn(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925670990 1206141997 /nfs/dbraw/zinc/14/19/97/1206141997.db2.gz BQEQUAIZQPFDDL-CYBMUJFWSA-N 2 0 327.270 2.300 10 0 EEAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1C ZINC000925809501 1206156561 /nfs/dbraw/zinc/15/65/61/1206156561.db2.gz JFICNWSBJLMNPZ-HNNXBMFYSA-N 2 0 332.492 2.033 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000925816411 1206157254 /nfs/dbraw/zinc/15/72/54/1206157254.db2.gz GQOVQJDUSJAURQ-DNVCBOLYSA-N 2 0 335.467 2.306 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925849345 1206160587 /nfs/dbraw/zinc/16/05/87/1206160587.db2.gz INJFYMSRFQTRIK-HZPDHXFCSA-N 2 0 346.475 2.306 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925915762 1206167730 /nfs/dbraw/zinc/16/77/30/1206167730.db2.gz GJZONKNRWBCQDX-QZTJIDSGSA-N 2 0 347.507 2.199 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925917866 1206167959 /nfs/dbraw/zinc/16/79/59/1206167959.db2.gz XOXQMYCEAADXPA-FUHWJXTLSA-N 2 0 347.507 2.200 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000926632951 1206233155 /nfs/dbraw/zinc/23/31/55/1206233155.db2.gz IGHOBEJYLWAOGI-XYPWUTKMSA-N 2 0 338.492 2.055 10 0 EEAERP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OC1CCSCC1 ZINC000929418612 1206472968 /nfs/dbraw/zinc/47/29/68/1206472968.db2.gz IORPNYOXNAGFMY-UHFFFAOYSA-N 2 0 342.549 2.333 10 0 EEAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4C[C@@H]5COC[C@H]5O4)C3)C2)cc1 ZINC000930462700 1206560037 /nfs/dbraw/zinc/56/00/37/1206560037.db2.gz ZLGIGXZNZIGUDP-MHTWAQMVSA-N 2 0 342.483 2.388 10 0 EEAERP Cn1c2ccccc2cc(CN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1=O ZINC000931314634 1206623948 /nfs/dbraw/zinc/62/39/48/1206623948.db2.gz QGSOCNUQDZMXGO-WOJBJXKFSA-N 2 0 325.456 2.312 10 0 EEAERP C[NH+](C)CC1(O)CC[NH+](CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000931479186 1207392239 /nfs/dbraw/zinc/39/22/39/1207392239.db2.gz MOSLUSJYBUIMJN-UHFFFAOYSA-N 2 0 340.508 2.277 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3Sc4ccccc4NC3=O)C[C@]2(C)C1 ZINC000933734849 1207829577 /nfs/dbraw/zinc/82/95/77/1207829577.db2.gz XMGWBTYTLXMFLC-SKDZVZGDSA-N 2 0 331.485 2.373 10 0 EEAERP COCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001276327582 1215745557 /nfs/dbraw/zinc/74/55/57/1215745557.db2.gz ZBSSQANAZQEJCK-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+](CCc1ccns1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001412979645 1216332325 /nfs/dbraw/zinc/33/23/25/1216332325.db2.gz BJQQDKHEBZMULQ-UHFFFAOYSA-N 2 0 344.528 2.435 10 0 EEAERP CCc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001276379852 1249419152 /nfs/dbraw/zinc/41/91/52/1249419152.db2.gz VUTNUEIVABPQGS-LJQANCHMSA-N 2 0 331.504 2.181 10 0 EEAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@H]1COc2ccccc2C1 ZINC000902800934 1238561374 /nfs/dbraw/zinc/56/13/74/1238561374.db2.gz XQHQMXJLSWFLFN-UHOSZYNNSA-N 2 0 332.488 2.453 10 0 EEAERP CCOc1ccc(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903873391 1242261401 /nfs/dbraw/zinc/26/14/01/1242261401.db2.gz PVRQZUZRHQRQQK-KRWDZBQOSA-N 2 0 330.476 2.377 10 0 EEAERP Clc1ccc(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)s1 ZINC000903923615 1242516914 /nfs/dbraw/zinc/51/69/14/1242516914.db2.gz YLMPHHSDFFQYMU-NSHDSACASA-N 2 0 325.869 2.250 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000903975062 1242814122 /nfs/dbraw/zinc/81/41/22/1242814122.db2.gz XAVDGCDAQHZUKW-IEBWSBKVSA-N 3 0 331.504 2.496 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1OCC1CC1)C2 ZINC000903979028 1242837961 /nfs/dbraw/zinc/83/79/61/1242837961.db2.gz SIPZOWHDDDGAOR-QKLQHJQFSA-N 2 0 344.455 2.188 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000826814561 1248081836 /nfs/dbraw/zinc/08/18/36/1248081836.db2.gz FAVFVLMNTQVKAS-UHFFFAOYSA-N 2 0 340.508 2.446 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001491030428 1258587203 /nfs/dbraw/zinc/58/72/03/1258587203.db2.gz VLUBFJWMHKUKTQ-XMTFNYHQSA-N 2 0 337.508 2.057 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120505 1258702212 /nfs/dbraw/zinc/70/22/12/1258702212.db2.gz QHVKNUGBTRYMKW-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C/C=C\c3ccccc3)C[C@H]21 ZINC001491338102 1258966374 /nfs/dbraw/zinc/96/63/74/1258966374.db2.gz DKSBNVHBVOZWKE-YIEUDYMUSA-N 2 0 327.472 2.086 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001491414300 1259057979 /nfs/dbraw/zinc/05/79/79/1259057979.db2.gz STIRSYSRCYNOHK-WFASDCNBSA-N 2 0 343.393 2.394 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001491478589 1259129467 /nfs/dbraw/zinc/12/94/67/1259129467.db2.gz QWGGATHDSXYQOS-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)co1 ZINC001267887042 1276746368 /nfs/dbraw/zinc/74/63/68/1276746368.db2.gz ASBPTJUSRVBITI-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C(C)C)nc1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273545969 1279623821 /nfs/dbraw/zinc/62/38/21/1279623821.db2.gz GKKDAKULCUPLEF-OAHLLOKOSA-N 2 0 336.480 2.139 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001273575591 1280157660 /nfs/dbraw/zinc/15/76/60/1280157660.db2.gz HMXXXUFBKIPGBW-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273644691 1282117997 /nfs/dbraw/zinc/11/79/97/1282117997.db2.gz CZODXBQJUCJFTO-QGZVFWFLSA-N 2 0 332.492 2.284 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1)[NH+](CC)CC ZINC001489200325 1290443744 /nfs/dbraw/zinc/44/37/44/1290443744.db2.gz JRPQEYGBVBXPFB-IXDOHACOSA-N 2 0 327.488 2.247 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001489237769 1290486153 /nfs/dbraw/zinc/48/61/53/1290486153.db2.gz BUAYHNRKINUSAB-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490549652 1291422484 /nfs/dbraw/zinc/42/24/84/1291422484.db2.gz ANARLLAAKUZTOE-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2oc(C)nc2C)C2CC2)CC[N@@H+]1C ZINC001490665929 1291548407 /nfs/dbraw/zinc/54/84/07/1291548407.db2.gz XLIPPZWEKIYNDZ-YESZJQIVSA-N 2 0 348.491 2.006 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000861630450 1295481654 /nfs/dbraw/zinc/48/16/54/1295481654.db2.gz SEOIWLVZJRGPHX-KPFFTGBYSA-N 2 0 344.503 2.338 10 0 EEAERP Cn1nccc1[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000927126945 1297027641 /nfs/dbraw/zinc/02/76/41/1297027641.db2.gz PEYJJHSVXOWCHW-DMUMMCEESA-N 2 0 340.471 2.096 10 0 EEAERP C[C@H](CCC[NH2+]C[C@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277329416 1302447275 /nfs/dbraw/zinc/44/72/75/1302447275.db2.gz RBZVRGQXWVILOX-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277693593 1304197775 /nfs/dbraw/zinc/19/77/75/1304197775.db2.gz LYNZTLQAHMDGRT-QAPCUYQASA-N 2 0 327.488 2.436 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001277718774 1304256412 /nfs/dbraw/zinc/25/64/12/1304256412.db2.gz XHJAELDMYADXOQ-GXTWGEPZSA-N 2 0 335.414 2.107 10 0 EEAERP CON(C)C(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000799126994 1305163233 /nfs/dbraw/zinc/16/32/33/1305163233.db2.gz KHVCHXULSHRTKU-OALUTQOASA-N 2 0 345.487 2.383 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001276404724 1315637550 /nfs/dbraw/zinc/63/75/50/1315637550.db2.gz KJYXQUCXLGXPGD-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001278526321 1317142862 /nfs/dbraw/zinc/14/28/62/1317142862.db2.gz ICIGXDQLNAFHQW-WMZOPIPTSA-N 2 0 337.508 2.033 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264678092 1322779879 /nfs/dbraw/zinc/77/98/79/1322779879.db2.gz OVZCFHSSXLNTCV-HZPDHXFCSA-N 2 0 333.467 2.387 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1cnc(C)o1)C1CC1 ZINC001265184301 1322974406 /nfs/dbraw/zinc/97/44/06/1322974406.db2.gz YDEVNZIFBZLLBK-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001265200777 1322981368 /nfs/dbraw/zinc/98/13/68/1322981368.db2.gz YBDFURIEBYVKMG-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265406504 1323134749 /nfs/dbraw/zinc/13/47/49/1323134749.db2.gz ADQRJHHWNRWUBV-ZDASLFPMSA-N 2 0 331.504 2.360 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]CCOCC1CC1)C12CCC[NH+]1CCC2 ZINC001265676104 1323315089 /nfs/dbraw/zinc/31/50/89/1323315089.db2.gz WNCHMLQGDRXXSK-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001265734003 1323355336 /nfs/dbraw/zinc/35/53/36/1323355336.db2.gz KPDNXXDRJCJADR-ABHNRTSZSA-N 2 0 339.524 2.301 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001265813084 1323394075 /nfs/dbraw/zinc/39/40/75/1323394075.db2.gz KNLYJONUJWTELK-IPYPFGDCSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001265850845 1323424382 /nfs/dbraw/zinc/42/43/82/1323424382.db2.gz JMVVQZVPERQIEA-DOTOQJQBSA-N 2 0 335.467 2.194 10 0 EEAERP Cc1ncc(C[N@H+](C)CCCNC(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001265952396 1323515311 /nfs/dbraw/zinc/51/53/11/1323515311.db2.gz KTLRXDUUXBWLTA-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)no1 ZINC001266076147 1323631671 /nfs/dbraw/zinc/63/16/71/1323631671.db2.gz WGMFEKPWJXBIQK-CVEARBPZSA-N 2 0 336.480 2.232 10 0 EEAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001279687104 1323978682 /nfs/dbraw/zinc/97/86/82/1323978682.db2.gz FDHZAXAFRQZINQ-WRFKIARRSA-N 2 0 349.519 2.059 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001279999004 1324053909 /nfs/dbraw/zinc/05/39/09/1324053909.db2.gz DJXDVJBTPNZBNE-HOTGVXAUSA-N 2 0 348.491 2.220 10 0 EEAERP O=C(NCC1([NH2+]CCC[C@H]2CCOC2)CCC1)C12CCC[NH+]1CCC2 ZINC001280491321 1324253383 /nfs/dbraw/zinc/25/33/83/1324253383.db2.gz LMBZTNPLFGAGLK-KRWDZBQOSA-N 2 0 349.519 2.060 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001280745911 1324472121 /nfs/dbraw/zinc/47/21/21/1324472121.db2.gz FCHPDJIKEHMBAF-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC2CC[NH+](CCF)CC2)C1 ZINC001281062839 1324750361 /nfs/dbraw/zinc/75/03/61/1324750361.db2.gz KGNNMPJPOIKPRK-QGZVFWFLSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001282227089 1325656637 /nfs/dbraw/zinc/65/66/37/1325656637.db2.gz FTTMIGVHPNHUAX-MSOLQXFVSA-N 2 0 347.503 2.261 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)CC1(C)C ZINC001282833435 1325800378 /nfs/dbraw/zinc/80/03/78/1325800378.db2.gz OLABSSSKDYLGFS-QGZVFWFLSA-N 2 0 332.492 2.140 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](Cc2ccccn2)CC1(C)C ZINC001282833434 1325800821 /nfs/dbraw/zinc/80/08/21/1325800821.db2.gz OLABSSSKDYLGFS-KRWDZBQOSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001283042948 1325897104 /nfs/dbraw/zinc/89/71/04/1325897104.db2.gz ABHQKCFZMZTWNS-BZUAXINKSA-N 2 0 327.488 2.483 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@H]1C ZINC001283924890 1326321990 /nfs/dbraw/zinc/32/19/90/1326321990.db2.gz BFAHAYPLXCMTQO-IEBWSBKVSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001491685209 1330205246 /nfs/dbraw/zinc/20/52/46/1330205246.db2.gz YFKVLHJBQOBUSM-HOCLYGCPSA-N 2 0 338.521 2.166 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001491830172 1330266769 /nfs/dbraw/zinc/26/67/69/1330266769.db2.gz XQALNTLHFGQRMF-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001491891903 1330292207 /nfs/dbraw/zinc/29/22/07/1330292207.db2.gz PKZKCEWFIPCPLO-CHWSQXEVSA-N 2 0 333.398 2.052 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001491895168 1330293529 /nfs/dbraw/zinc/29/35/29/1330293529.db2.gz FBFGOILXSLWANQ-IRXDYDNUSA-N 2 0 348.491 2.376 10 0 EEAERP CCc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001492042518 1330415460 /nfs/dbraw/zinc/41/54/60/1330415460.db2.gz CISVTTOFIWYNSK-UKRRQHHQSA-N 2 0 338.521 2.174 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cccnc2C)CC[N@@H+]1C ZINC001492026784 1330451772 /nfs/dbraw/zinc/45/17/72/1330451772.db2.gz AFSYIOPMFZRUOC-FHLIZLRMSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1cccc(F)c1 ZINC001492110350 1330479681 /nfs/dbraw/zinc/47/96/81/1330479681.db2.gz DMBAFCJLVRYXAB-MRXNPFEDSA-N 2 0 347.478 2.339 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492175904 1331054514 /nfs/dbraw/zinc/05/45/14/1331054514.db2.gz NKJACBZZLJACKC-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001492256987 1331118088 /nfs/dbraw/zinc/11/80/88/1331118088.db2.gz JGHZOQCODHQCQY-LPHOPBHVSA-N 2 0 329.488 2.446 10 0 EEAERP Cc1ccccc1OCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001316832188 1331354565 /nfs/dbraw/zinc/35/45/65/1331354565.db2.gz WLRHBGIHWVUWPS-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1ccccc1CCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865409 1331774632 /nfs/dbraw/zinc/77/46/32/1331774632.db2.gz KABJCUMXMYAFKN-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001316728267 1331864488 /nfs/dbraw/zinc/86/44/88/1331864488.db2.gz VVYSRCOFFPVTQK-ZIAGYGMSSA-N 2 0 337.430 2.355 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001316770968 1331884217 /nfs/dbraw/zinc/88/42/17/1331884217.db2.gz IZAPQIYPEXJEKY-DLBZAZTESA-N 2 0 327.513 2.114 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001316934837 1332000319 /nfs/dbraw/zinc/00/03/19/1332000319.db2.gz XMRGXEAHEJZHPA-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)CCC1 ZINC001317113400 1332084802 /nfs/dbraw/zinc/08/48/02/1332084802.db2.gz NRVRSUKNVMQASR-HDICACEKSA-N 2 0 329.488 2.340 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317195065 1332125287 /nfs/dbraw/zinc/12/52/87/1332125287.db2.gz WVGHBNVNUCCQBO-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001317199687 1332128088 /nfs/dbraw/zinc/12/80/88/1332128088.db2.gz MRMWLQUZKMDEPW-SFHVURJKSA-N 2 0 347.503 2.376 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317325311 1332180000 /nfs/dbraw/zinc/18/00/00/1332180000.db2.gz FPYDKFQWOUBAJW-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001317412140 1332218629 /nfs/dbraw/zinc/21/86/29/1332218629.db2.gz JBWJPUQQECAGNY-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001317665093 1332359185 /nfs/dbraw/zinc/35/91/85/1332359185.db2.gz OCIKSAXLIVEBNS-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001318376185 1332518622 /nfs/dbraw/zinc/51/86/22/1332518622.db2.gz CPYHEZFLIYWROP-MRXNPFEDSA-N 2 0 343.462 2.488 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318531487 1332556799 /nfs/dbraw/zinc/55/67/99/1332556799.db2.gz UFMAXYHNCFJMDA-AWEZNQCLSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ncccc1C[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001318908893 1332622203 /nfs/dbraw/zinc/62/22/03/1332622203.db2.gz XGEFKDCNIZQFTA-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001318977036 1332631787 /nfs/dbraw/zinc/63/17/87/1332631787.db2.gz UIQBXLYFPRASGX-WKILWMFISA-N 2 0 327.513 2.018 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460501 1332705172 /nfs/dbraw/zinc/70/51/72/1332705172.db2.gz NOIOBTPOVLZJLZ-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP C[C@@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001319830214 1332778749 /nfs/dbraw/zinc/77/87/49/1332778749.db2.gz CWUYBILHEJQAFS-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccc(F)cc2o1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320371154 1332869861 /nfs/dbraw/zinc/86/98/61/1332869861.db2.gz JMCNHTBEGHZLJN-DOMZBBRYSA-N 2 0 348.422 2.046 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320414101 1332877655 /nfs/dbraw/zinc/87/76/55/1332877655.db2.gz AFGRAVKRAIYCLT-YJBOKZPZSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001320645996 1332928523 /nfs/dbraw/zinc/92/85/23/1332928523.db2.gz VHTXBHDFWBQPNH-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(COC)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320769348 1332949039 /nfs/dbraw/zinc/94/90/39/1332949039.db2.gz INOVKAVLNTXBFJ-IBGZPJMESA-N 2 0 347.503 2.255 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1F ZINC001321200260 1333043423 /nfs/dbraw/zinc/04/34/23/1333043423.db2.gz NOXDFNUOSXHJOU-IDOMTICXSA-N 2 0 337.414 2.211 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001321250002 1333055307 /nfs/dbraw/zinc/05/53/07/1333055307.db2.gz NCSGMUIKWTXYNB-VGOKWCNXSA-N 2 0 329.488 2.407 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001322042479 1333200992 /nfs/dbraw/zinc/20/09/92/1333200992.db2.gz SGNMTTFBWRJHBJ-AWEZNQCLSA-N 2 0 335.879 2.073 10 0 EEAERP CN(CCC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322830549 1333335519 /nfs/dbraw/zinc/33/55/19/1333335519.db2.gz BWPDANXQCSEHRT-MOPGFXCFSA-N 2 0 343.515 2.496 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001324092121 1333607481 /nfs/dbraw/zinc/60/74/81/1333607481.db2.gz YNPCMXLMQRRZRL-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCc2cccs2)CC1 ZINC001324220552 1333637571 /nfs/dbraw/zinc/63/75/71/1333637571.db2.gz KENCUIOANKXAFT-INIZCTEOSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324833121 1333769332 /nfs/dbraw/zinc/76/93/32/1333769332.db2.gz LKVKFKHXBNQUIR-CTEOGUNLSA-N 2 0 327.900 2.443 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001324975564 1333800423 /nfs/dbraw/zinc/80/04/23/1333800423.db2.gz GZAASJUKCZKSEU-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CN(C)c1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001326350444 1334073836 /nfs/dbraw/zinc/07/38/36/1334073836.db2.gz BIAGCZIRIUPILB-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001327646079 1334327699 /nfs/dbraw/zinc/32/76/99/1334327699.db2.gz UGHAMEYZNINNOR-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCC3=CCCCC3)CCOCC2)C1 ZINC001327671597 1334331236 /nfs/dbraw/zinc/33/12/36/1334331236.db2.gz RRLGYFQPKJECOK-SFHVURJKSA-N 2 0 349.519 2.084 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001331927076 1335677839 /nfs/dbraw/zinc/67/78/39/1335677839.db2.gz SOFDPRABQBDNQT-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001332185794 1335757504 /nfs/dbraw/zinc/75/75/04/1335757504.db2.gz QREHAUSTABEZCR-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCCCF)CC1 ZINC001333003652 1335945453 /nfs/dbraw/zinc/94/54/53/1335945453.db2.gz CCHASQQXUCMUNV-INIZCTEOSA-N 2 0 339.499 2.439 10 0 EEAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CCOc2ccccc2)C1 ZINC001333083348 1335959711 /nfs/dbraw/zinc/95/97/11/1335959711.db2.gz XXMIMBREWGEPBA-TVPLGVNVSA-N 2 0 345.487 2.129 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000847660112 1338236494 /nfs/dbraw/zinc/23/64/94/1338236494.db2.gz IRSFMHORMVSPLB-INIZCTEOSA-N 2 0 344.503 2.497 10 0 EEAERP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001472263592 1338433459 /nfs/dbraw/zinc/43/34/59/1338433459.db2.gz UDHOMACARYAULS-MSOLQXFVSA-N 2 0 331.504 2.378 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1 ZINC001413869214 1338572245 /nfs/dbraw/zinc/57/22/45/1338572245.db2.gz MDJADOKSFPCZQD-OWYHZJEWSA-N 2 0 345.487 2.191 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC001666162547 1355472221 /nfs/dbraw/zinc/47/22/21/1355472221.db2.gz PKYDHWZEIHIREN-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001434798834 1341944525 /nfs/dbraw/zinc/94/45/25/1341944525.db2.gz BSTFGGDLZAXUQV-HNNXBMFYSA-N 2 0 326.529 2.479 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001502546003 1342208875 /nfs/dbraw/zinc/20/88/75/1342208875.db2.gz MCSNAABFMDFNJA-MPNRVQBSSA-N 2 0 327.900 2.395 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC=C(Cl)Cl ZINC001502754158 1342229439 /nfs/dbraw/zinc/22/94/39/1342229439.db2.gz MCCPZCKJPHKJSB-QWHCGFSZSA-N 2 0 336.307 2.474 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CC[C@@H]1CCCO1 ZINC001506588553 1342262744 /nfs/dbraw/zinc/26/27/44/1342262744.db2.gz YYTQDOZMFVCTMQ-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001566053320 1342535877 /nfs/dbraw/zinc/53/58/77/1342535877.db2.gz YXJHSRDAFPVKKA-IKGGRYGDSA-N 2 0 327.488 2.247 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001566955807 1342660321 /nfs/dbraw/zinc/66/03/21/1342660321.db2.gz QKVBAKCJFVIWGD-QZTJIDSGSA-N 2 0 348.491 2.074 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001567016579 1342678930 /nfs/dbraw/zinc/67/89/30/1342678930.db2.gz ILCLTWLMMURPCQ-YQVWRLOYSA-N 2 0 347.503 2.117 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567166326 1342703059 /nfs/dbraw/zinc/70/30/59/1342703059.db2.gz BQVBOZSKXQXRTQ-DLBZAZTESA-N 2 0 339.524 2.303 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001567507965 1342775298 /nfs/dbraw/zinc/77/52/98/1342775298.db2.gz NSEMYEHUAXOPKY-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)c(Cl)c1)[NH+](C)C ZINC001567516275 1342776350 /nfs/dbraw/zinc/77/63/50/1342776350.db2.gz NXMIEPQTHWRIKA-OAHLLOKOSA-N 2 0 329.847 2.367 10 0 EEAERP CN(CC[NH2+]CCCCC1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567546348 1342783632 /nfs/dbraw/zinc/78/36/32/1342783632.db2.gz HWDAURMSFJBWRG-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(COC)c1)C(=O)C1CC[NH+](C)CC1 ZINC001568771982 1342852464 /nfs/dbraw/zinc/85/24/64/1342852464.db2.gz CQJISWDPGPYNAT-UHFFFAOYSA-N 2 0 347.503 2.113 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001569543423 1342894362 /nfs/dbraw/zinc/89/43/62/1342894362.db2.gz DOIHGGQZDRJHOP-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001570019921 1343001381 /nfs/dbraw/zinc/00/13/81/1343001381.db2.gz XZFFWFYJFFHUMT-SFHVURJKSA-N 2 0 345.487 2.119 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)n2)[C@H]1C ZINC001676679570 1357179542 /nfs/dbraw/zinc/17/95/42/1357179542.db2.gz AQKBADMOWPJURQ-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP COCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001676768782 1357197015 /nfs/dbraw/zinc/19/70/15/1357197015.db2.gz WNSZGLBCBHTUOP-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCc2cccs2)C1)C12CC[NH+](CC1)C2 ZINC001676965275 1357250742 /nfs/dbraw/zinc/25/07/42/1357250742.db2.gz LGZMNUKGGMHPNG-HOTGVXAUSA-N 2 0 347.528 2.261 10 0 EEAERP CC[C@@H](C[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1)OC ZINC001677575229 1357360834 /nfs/dbraw/zinc/36/08/34/1357360834.db2.gz UQDFKXRWYNDAAR-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001656908016 1354298000 /nfs/dbraw/zinc/29/80/00/1354298000.db2.gz AGVAVRXOGUQGFF-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)C[C@H]2CCCCO2)CC[N@@H+]1C ZINC001660529267 1354482400 /nfs/dbraw/zinc/48/24/00/1354482400.db2.gz PASNGNHVVVBCNT-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C2CC2)o1 ZINC001660752831 1354531573 /nfs/dbraw/zinc/53/15/73/1354531573.db2.gz HUUZJUINLVHPJC-GJZGRUSLSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001661817980 1354702165 /nfs/dbraw/zinc/70/21/65/1354702165.db2.gz GFYOSPLOUXOXPZ-ICSRJNTNSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001662766318 1354841095 /nfs/dbraw/zinc/84/10/95/1354841095.db2.gz ICXOCZXUFJOSFV-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001662778111 1354844653 /nfs/dbraw/zinc/84/46/53/1354844653.db2.gz CJJCQIJYIFXQRA-HOTGVXAUSA-N 2 0 327.513 2.018 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CCF)cc1 ZINC001662818750 1354853880 /nfs/dbraw/zinc/85/38/80/1354853880.db2.gz PAGLSULWJSIWDB-SFHVURJKSA-N 2 0 335.467 2.279 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001664169865 1355106292 /nfs/dbraw/zinc/10/62/92/1355106292.db2.gz RRCQLMZDODJPSZ-QGZVFWFLSA-N 2 0 341.446 2.142 10 0 EEAERP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@H]1CCn2ccnc2C1 ZINC001665934104 1355412726 /nfs/dbraw/zinc/41/27/26/1355412726.db2.gz XIAUKJYSBQMKQR-UMSKNGNOSA-N 2 0 336.867 2.217 10 0 EEAERP Cc1cnc(C[NH2+]CCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001666256095 1355497183 /nfs/dbraw/zinc/49/71/83/1355497183.db2.gz BKRWUXQYKLDHGM-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(N1CCC(CC[NH2+]C/C=C\Cl)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001666259104 1355498281 /nfs/dbraw/zinc/49/82/81/1355498281.db2.gz LBYWKWIYQSVLLD-NUJSQKRLSA-N 2 0 339.911 2.443 10 0 EEAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001666323382 1355508991 /nfs/dbraw/zinc/50/89/91/1355508991.db2.gz MYZRVVBACYCHRX-BZSNNMDCSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001666991958 1355628299 /nfs/dbraw/zinc/62/82/99/1355628299.db2.gz JBCXKDMRDQHPDH-ZWKOTPCHSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CCCCC2)CC[N@@H+]1C ZINC001667140779 1355656852 /nfs/dbraw/zinc/65/68/52/1355656852.db2.gz YYLQRDULTAYVKY-XIRDDKMYSA-N 2 0 327.488 2.341 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001667216559 1355676536 /nfs/dbraw/zinc/67/65/36/1355676536.db2.gz IXYKAZGSDYPKSB-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274397 1355913715 /nfs/dbraw/zinc/91/37/15/1355913715.db2.gz RMHWTEUBKAPELU-HUUCEWRRSA-N 2 0 344.459 2.154 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001668820362 1356011747 /nfs/dbraw/zinc/01/17/47/1356011747.db2.gz DWNRHSQFRGTHKZ-UEKDZROGSA-N 2 0 344.503 2.333 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1F ZINC001669026697 1356070901 /nfs/dbraw/zinc/07/09/01/1356070901.db2.gz FNKZCAKGXCZJLJ-IPLHWJFFSA-N 2 0 335.467 2.482 10 0 EEAERP CN(C)[C@@H](C(=O)NC/C=C\CNCc1cscn1)c1ccccc1 ZINC001669208764 1356126366 /nfs/dbraw/zinc/12/63/66/1356126366.db2.gz VSSRUWCCUXJPBT-JTGQJZMRSA-N 2 0 344.484 2.208 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001669384297 1356153324 /nfs/dbraw/zinc/15/33/24/1356153324.db2.gz CYKKQMKUQZTFMT-CQSZACIVSA-N 2 0 337.895 2.319 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@](C)(C[NH2+]C/C=C/Cl)C2)CC1 ZINC001671788742 1356414671 /nfs/dbraw/zinc/41/46/71/1356414671.db2.gz APKGAVGROWLVLJ-OPQSBORISA-N 2 0 327.900 2.299 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC001672811359 1356590253 /nfs/dbraw/zinc/59/02/53/1356590253.db2.gz YQLORFJGXMTQRG-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCOc2ccccc2)C1 ZINC001674570368 1356859703 /nfs/dbraw/zinc/85/97/03/1356859703.db2.gz VRSIDUMEHLUNRX-FAFZWHIHSA-N 2 0 345.487 2.034 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001675745113 1357045815 /nfs/dbraw/zinc/04/58/15/1357045815.db2.gz BUZUVUCEKYUHOO-KCYZZUKISA-N 2 0 335.517 2.115 10 0 EEAERP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001690846663 1404940372 /nfs/dbraw/zinc/94/03/72/1404940372.db2.gz NKCUWEUHFXICGV-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@H+](CCC3=CCCCC3)CCO2)CC1 ZINC001698789452 1405063213 /nfs/dbraw/zinc/06/32/13/1405063213.db2.gz VPISDFISQLEHON-GOSISDBHSA-N 2 0 349.519 2.036 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1 ZINC001698907454 1405149035 /nfs/dbraw/zinc/14/90/35/1405149035.db2.gz JTGFMRLFRPJQGU-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)co1 ZINC001699545171 1405379362 /nfs/dbraw/zinc/37/93/62/1405379362.db2.gz HBXCWGXWYPNZIX-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Cl)n1 ZINC000846688651 790407809 /nfs/dbraw/zinc/40/78/09/790407809.db2.gz JAVRUKXYEZICFA-ZQIUZPCESA-N 2 0 336.867 2.021 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000925808996 777385103 /nfs/dbraw/zinc/38/51/03/777385103.db2.gz GLRCTEMOHDEFMM-INIZCTEOSA-N 2 0 338.293 2.449 10 0 EEAERP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813046 777666959 /nfs/dbraw/zinc/66/69/59/777666959.db2.gz RHZIULYMYNEQLH-CYBMUJFWSA-N 2 0 340.309 2.393 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c(OC)c1 ZINC000925848775 779556106 /nfs/dbraw/zinc/55/61/06/779556106.db2.gz KOMNITPQFXZZCJ-MRXNPFEDSA-N 2 0 335.492 2.430 10 0 EEAERP C[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000261679093 780005703 /nfs/dbraw/zinc/00/57/03/780005703.db2.gz HIBHRAKSWLVYJM-QFBILLFUSA-N 2 0 325.456 2.353 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817894982 785051585 /nfs/dbraw/zinc/05/15/85/785051585.db2.gz PVWZHTDBHGTQBR-JCGIZDLHSA-N 2 0 331.460 2.045 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2Cl)ccn1 ZINC000819195822 785457328 /nfs/dbraw/zinc/45/73/28/785457328.db2.gz KPEXKLOTQBMQRA-KRWDZBQOSA-N 2 0 349.862 2.499 10 0 EEAERP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1ccnn1C ZINC000922974114 788475262 /nfs/dbraw/zinc/47/52/62/788475262.db2.gz UWQCMYFOMWFHFA-SFHVURJKSA-N 2 0 330.476 2.201 10 0 EEAERP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306507 789349952 /nfs/dbraw/zinc/34/99/52/789349952.db2.gz SHFAAOMPEKPCJI-ROUUACIJSA-N 2 0 346.471 2.055 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923428340 789528406 /nfs/dbraw/zinc/52/84/06/789528406.db2.gz ONIRWHPYDKBUDF-YLJYHZDGSA-N 2 0 348.487 2.291 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923491499 789661656 /nfs/dbraw/zinc/66/16/56/789661656.db2.gz IFSBKPZVBNSWSD-QLFBSQMISA-N 2 0 326.868 2.305 10 0 EEAERP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923499917 789684235 /nfs/dbraw/zinc/68/42/35/789684235.db2.gz ODTIEVAFOMJIDB-ZWKOTPCHSA-N 2 0 347.503 2.057 10 0 EEAERP Cc1cc(NC(=O)CC[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)no1 ZINC000923504541 789688399 /nfs/dbraw/zinc/68/83/99/789688399.db2.gz ZRHNBLBIILSRQW-OAHLLOKOSA-N 2 0 334.464 2.413 10 0 EEAERP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921626680 790148528 /nfs/dbraw/zinc/14/85/28/790148528.db2.gz AWIDRWXSBORXCM-ZIFCJYIRSA-N 2 0 335.536 2.340 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913823274 794347494 /nfs/dbraw/zinc/34/74/94/794347494.db2.gz ATITXZSQTGQVMI-NXHRZFHOSA-N 2 0 330.476 2.215 10 0 EEAERP C[NH+](C)C1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCC1 ZINC000921961127 798420276 /nfs/dbraw/zinc/42/02/76/798420276.db2.gz NDTLAHBGORJZCS-GOSISDBHSA-N 2 0 342.487 2.394 10 0 EEAERP CO[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCC2 ZINC000453118271 799134068 /nfs/dbraw/zinc/13/40/68/799134068.db2.gz LFZLESIXKLFHMG-MSOLQXFVSA-N 2 0 335.536 2.484 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566071347 1125544453 /nfs/dbraw/zinc/54/44/53/1125544453.db2.gz JCJMGWKRLATZOU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCc2sc(C[NH2+]CCC3CC3)nc2C1 ZINC001566127432 1125575735 /nfs/dbraw/zinc/57/57/35/1125575735.db2.gz ZJMGULYMKTULAP-UHFFFAOYSA-N 2 0 348.516 2.013 10 0 EEAERP Cc1ccc(CC[NH+](C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001566456437 1125616993 /nfs/dbraw/zinc/61/69/93/1125616993.db2.gz FZJRHVKSFXQWOQ-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001566504271 1125671980 /nfs/dbraw/zinc/67/19/80/1125671980.db2.gz DMMZPURAYLHMAF-QGZVFWFLSA-N 2 0 347.503 2.297 10 0 EEAERP CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)c1ncc(C)o1 ZINC001566572296 1125749307 /nfs/dbraw/zinc/74/93/07/1125749307.db2.gz PGMFVYLKEPCLRI-CVEARBPZSA-N 2 0 336.480 2.214 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1F ZINC001436401306 1087748056 /nfs/dbraw/zinc/74/80/56/1087748056.db2.gz GHPVFQKATXGRJK-QAQDUYKDSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)oc1C ZINC001436421604 1087782611 /nfs/dbraw/zinc/78/26/11/1087782611.db2.gz MSSOEERNAGVXFN-YESZJQIVSA-N 2 0 348.491 2.008 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001436475120 1087945048 /nfs/dbraw/zinc/94/50/48/1087945048.db2.gz LBILKPKZZCLBNI-DLBZAZTESA-N 2 0 327.513 2.114 10 0 EEAERP Cc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)c1 ZINC001436801525 1088378913 /nfs/dbraw/zinc/37/89/13/1088378913.db2.gz ULUDFLGLFPOOSX-MOPGFXCFSA-N 2 0 329.488 2.464 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001436843168 1088478627 /nfs/dbraw/zinc/47/86/27/1088478627.db2.gz PWKXPEIWEYXCRN-IRXDYDNUSA-N 2 0 329.504 2.493 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CCF)CC[C@H]21)CC(C)(C)C ZINC001436947019 1088629606 /nfs/dbraw/zinc/62/96/06/1088629606.db2.gz VDXPKWAFXWSPNB-JKSUJKDBSA-N 2 0 327.488 2.247 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001436977436 1088673673 /nfs/dbraw/zinc/67/36/73/1088673673.db2.gz LLHDEVUJKYRJRA-IYBDPMFKSA-N 2 0 346.475 2.165 10 0 EEAERP C[C@@H](F)CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001437088448 1089037496 /nfs/dbraw/zinc/03/74/96/1089037496.db2.gz LJQYZYJOTQMXBC-ODIFPOPNSA-N 2 0 327.488 2.483 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001437379188 1089626580 /nfs/dbraw/zinc/62/65/80/1089626580.db2.gz YORCDRJICAZLBO-PBHICJAKSA-N 2 0 333.476 2.082 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001437405458 1089681856 /nfs/dbraw/zinc/68/18/56/1089681856.db2.gz WMSJUNCOYWEACM-OLZOCXBDSA-N 2 0 327.419 2.462 10 0 EEAERP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437718994 1090269186 /nfs/dbraw/zinc/26/91/86/1090269186.db2.gz GJIFZVHKOLDGDM-KBPBESRZSA-N 2 0 339.430 2.416 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001437858114 1090438723 /nfs/dbraw/zinc/43/87/23/1090438723.db2.gz RROXGCDVQYEQJN-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001437940437 1090534257 /nfs/dbraw/zinc/53/42/57/1090534257.db2.gz ARPJZMBKDPVLOX-ROUUACIJSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1cc(C)cc(OCC[NH+]2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001438156197 1090670781 /nfs/dbraw/zinc/67/07/81/1090670781.db2.gz GBHULVDUXHIIFN-UHFFFAOYSA-N 2 0 347.503 2.070 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001438246032 1090728013 /nfs/dbraw/zinc/72/80/13/1090728013.db2.gz MDQHUGSNNOAXKW-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)cn1 ZINC001438345279 1090821927 /nfs/dbraw/zinc/82/19/27/1090821927.db2.gz QLZKIZPECLDTLU-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438421467 1090916309 /nfs/dbraw/zinc/91/63/09/1090916309.db2.gz KZRQINZYMCJTKT-UYAOXDASSA-N 2 0 344.503 2.331 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001438710962 1091226014 /nfs/dbraw/zinc/22/60/14/1091226014.db2.gz GFXMGKZKCZBPPO-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)sc1C ZINC001438770952 1091354148 /nfs/dbraw/zinc/35/41/48/1091354148.db2.gz KSLVNMFOKAQVSQ-SWLSCSKDSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC[C@@H]1CCCCO1 ZINC001438876171 1091521699 /nfs/dbraw/zinc/52/16/99/1091521699.db2.gz LOMGVWJRFMZPJX-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1F)[NH+](C)C ZINC001439129985 1091775788 /nfs/dbraw/zinc/77/57/88/1091775788.db2.gz IUXKQRPYEQTJRV-LALPHHSUSA-N 2 0 327.419 2.460 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001439225357 1091870744 /nfs/dbraw/zinc/87/07/44/1091870744.db2.gz UFWLFGDTDQOZSI-RDJZCZTQSA-N 2 0 333.476 2.164 10 0 EEAERP CO[C@@H](C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001439245761 1091895093 /nfs/dbraw/zinc/89/50/93/1091895093.db2.gz XWEHVGIVTOLLPL-CAMMJAKZSA-N 2 0 347.503 2.199 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001446132624 1092182354 /nfs/dbraw/zinc/18/23/54/1092182354.db2.gz ZRVWEAWMGVFLMA-WOJBJXKFSA-N 2 0 343.515 2.460 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ccns1 ZINC001439517311 1092362984 /nfs/dbraw/zinc/36/29/84/1092362984.db2.gz RWALEWKMWTZWSP-GDBMZVCRSA-N 2 0 338.521 2.200 10 0 EEAERP O=C(NCC1([NH2+]C[C@H]2CCOC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001439632888 1092551377 /nfs/dbraw/zinc/55/13/77/1092551377.db2.gz CQPNRNOANVPXHA-SJLPKXTDSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[N@H+](CC2CC2)CCC1(F)F)[NH+]1CCCC1 ZINC001439971806 1093087509 /nfs/dbraw/zinc/08/75/09/1093087509.db2.gz LASMJGLCQZAGQY-HNNXBMFYSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1nc(C)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C3)o1 ZINC001440124758 1093186897 /nfs/dbraw/zinc/18/68/97/1093186897.db2.gz ZYDWELAOAIHRIP-BJWYYQGGSA-N 2 0 348.491 2.102 10 0 EEAERP CC[NH+]1CCC(N(Cc2ccccn2)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001440128642 1093192255 /nfs/dbraw/zinc/19/22/55/1093192255.db2.gz RMUOMIHOCUMZMT-UHFFFAOYSA-N 2 0 332.492 2.235 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)CC2)o1 ZINC001440221520 1093300269 /nfs/dbraw/zinc/30/02/69/1093300269.db2.gz SGZDSGJTZCLRQJ-WKILWMFISA-N 2 0 348.491 2.089 10 0 EEAERP Cc1nc(CN2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)co1 ZINC001448390673 1093383778 /nfs/dbraw/zinc/38/37/78/1093383778.db2.gz DMGVFGMFWCXIHW-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C ZINC001448393349 1093391196 /nfs/dbraw/zinc/39/11/96/1093391196.db2.gz VCBWZYRFXYYEFY-CQSZACIVSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001440324103 1093465787 /nfs/dbraw/zinc/46/57/87/1093465787.db2.gz AFLPTXXBEFSKJN-UHFFFAOYSA-N 2 0 344.503 2.393 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001440371850 1093539231 /nfs/dbraw/zinc/53/92/31/1093539231.db2.gz RPRRZOSLSPSJCG-BZSNNMDCSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001440404005 1093593200 /nfs/dbraw/zinc/59/32/00/1093593200.db2.gz MJLGRVNBPVXBMD-BBWFWOEESA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC001440461173 1093680656 /nfs/dbraw/zinc/68/06/56/1093680656.db2.gz JYHVRHACBAJZQI-YESZJQIVSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001448675224 1093742614 /nfs/dbraw/zinc/74/26/14/1093742614.db2.gz GNTZJQXLUUVJQJ-CJNGLKHVSA-N 2 0 336.480 2.102 10 0 EEAERP CCC1([NH2+]Cc2cncs2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001440517301 1093766758 /nfs/dbraw/zinc/76/67/58/1093766758.db2.gz BSNAAZGFTJXBGX-HNNXBMFYSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]C/C=C/Cl ZINC001448729019 1093799017 /nfs/dbraw/zinc/79/90/17/1093799017.db2.gz SUXLKOFNWBQQQZ-BHDDWZGFSA-N 2 0 333.879 2.388 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440540383 1093808069 /nfs/dbraw/zinc/80/80/69/1093808069.db2.gz SVOJQCSFICANSB-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001440613086 1093879704 /nfs/dbraw/zinc/87/97/04/1093879704.db2.gz KHLSHDBVLIVVKD-UHFFFAOYSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1cncs1 ZINC001440655889 1093929059 /nfs/dbraw/zinc/92/90/59/1093929059.db2.gz YZKMMRQQYLXQIB-KBPBESRZSA-N 2 0 336.505 2.097 10 0 EEAERP C[C@@H]([NH2+]Cc1cncs1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440795126 1094036914 /nfs/dbraw/zinc/03/69/14/1094036914.db2.gz DMWZNBWHMMXJJD-KGLIPLIRSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001440843678 1094100981 /nfs/dbraw/zinc/10/09/81/1094100981.db2.gz UZTPUKJTHDYSPT-STQMWFEESA-N 2 0 333.467 2.492 10 0 EEAERP CN(C[C@H](O)C[N@H+](C)CCCC(C)(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001449203203 1094162032 /nfs/dbraw/zinc/16/20/32/1094162032.db2.gz XGNDAOOIVLIPDQ-MRXNPFEDSA-N 2 0 341.540 2.048 10 0 EEAERP Cc1ccc(C)c(OCC[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001441011255 1094287763 /nfs/dbraw/zinc/28/77/63/1094287763.db2.gz LOJSBXUTHKFTIL-QZTJIDSGSA-N 2 0 347.503 2.070 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001441133876 1094463940 /nfs/dbraw/zinc/46/39/40/1094463940.db2.gz HHARLILMYDPBBU-CABCVRRESA-N 2 0 325.472 2.047 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1)[NH+](C)C ZINC001441357037 1094873942 /nfs/dbraw/zinc/87/39/42/1094873942.db2.gz ZTHRPVVVXUOSKS-ZVZYQTTQSA-N 2 0 335.467 2.396 10 0 EEAERP CO[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001441482894 1095155853 /nfs/dbraw/zinc/15/58/53/1095155853.db2.gz JUZGGKBFBZKXJW-HCXYKTFWSA-N 2 0 345.487 2.095 10 0 EEAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001441577460 1095368480 /nfs/dbraw/zinc/36/84/80/1095368480.db2.gz WBPVRMWACBRVMC-OAHLLOKOSA-N 2 0 329.448 2.364 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC001441662069 1095628998 /nfs/dbraw/zinc/62/89/98/1095628998.db2.gz JEYSRMGNZARUFI-UHFFFAOYSA-N 2 0 330.476 2.037 10 0 EEAERP COc1cccc(Cl)c1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001442064181 1096276237 /nfs/dbraw/zinc/27/62/37/1096276237.db2.gz KSHFVGOPYIPNCT-CYBMUJFWSA-N 2 0 341.883 2.283 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001442182076 1096450786 /nfs/dbraw/zinc/45/07/86/1096450786.db2.gz DQWZAFNYNYGHOQ-HUUCEWRRSA-N 2 0 336.480 2.267 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CC[NH+]1CCCCC1 ZINC001442188006 1096460131 /nfs/dbraw/zinc/46/01/31/1096460131.db2.gz ZVFFXAQDPZDFLV-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442909778 1097315853 /nfs/dbraw/zinc/31/58/53/1097315853.db2.gz KMKFWLUJSSHOMV-CVEARBPZSA-N 2 0 333.451 2.421 10 0 EEAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442909794 1097316052 /nfs/dbraw/zinc/31/60/52/1097316052.db2.gz KMKFWLUJSSHOMV-JKSUJKDBSA-N 2 0 333.451 2.421 10 0 EEAERP CCCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1nc(C)oc1C ZINC001442949812 1097364653 /nfs/dbraw/zinc/36/46/53/1097364653.db2.gz DJLCKCREKPOXRX-UHFFFAOYSA-N 2 0 348.491 2.248 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2ocnc2C)CC1 ZINC001443145571 1097575785 /nfs/dbraw/zinc/57/57/85/1097575785.db2.gz OPRVDWVMNWKGKE-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001443260471 1097738824 /nfs/dbraw/zinc/73/88/24/1097738824.db2.gz HUNLTMYREASBGJ-KBPBESRZSA-N 2 0 335.414 2.109 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001443270160 1097751620 /nfs/dbraw/zinc/75/16/20/1097751620.db2.gz LZPCBVCWSPGNQZ-SJLPKXTDSA-N 2 0 347.478 2.148 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1C ZINC001443918103 1098439125 /nfs/dbraw/zinc/43/91/25/1098439125.db2.gz PSGWCFQIUSCVGR-MOPGFXCFSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001444024264 1098542156 /nfs/dbraw/zinc/54/21/56/1098542156.db2.gz VHHHIEVSROGDPQ-WMZOPIPTSA-N 2 0 347.503 2.343 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC001444076651 1098601978 /nfs/dbraw/zinc/60/19/78/1098601978.db2.gz HUARPUORPCEBOG-UHFFFAOYSA-N 2 0 339.430 2.435 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cc(C)no1 ZINC001479637667 1098665933 /nfs/dbraw/zinc/66/59/33/1098665933.db2.gz YWBLOFOIQLSERU-RYQLBKOJSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccns1)NC(=O)CC[NH+](C)C ZINC001444149166 1098689520 /nfs/dbraw/zinc/68/95/20/1098689520.db2.gz ASYBSOOYQQCZBI-PBHICJAKSA-N 2 0 338.521 2.250 10 0 EEAERP CCc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444386269 1098974643 /nfs/dbraw/zinc/97/46/43/1098974643.db2.gz IPWKRZKPMOQWKB-MRXNPFEDSA-N 2 0 329.488 2.187 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H](C)c1ccccc1F ZINC001444387373 1098976488 /nfs/dbraw/zinc/97/64/88/1098976488.db2.gz JTTBDSCPMNGRNV-GJZGRUSLSA-N 2 0 333.451 2.324 10 0 EEAERP COCCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828819 1099109791 /nfs/dbraw/zinc/10/97/91/1099109791.db2.gz FGTIJMRPJGWPIS-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]Cc1ccns1)C1CC1 ZINC001480026225 1099509893 /nfs/dbraw/zinc/50/98/93/1099509893.db2.gz CSWKKDQNZKLAJS-ZBFHGGJFSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)N(C)C(=O)CC[NH+](C)C ZINC001444675625 1099519052 /nfs/dbraw/zinc/51/90/52/1099519052.db2.gz YGLZPCZSYYKQGL-HNNXBMFYSA-N 2 0 328.460 2.123 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)on1 ZINC001444691899 1099543743 /nfs/dbraw/zinc/54/37/43/1099543743.db2.gz JLQBZDIWZWFYCR-RDJZCZTQSA-N 2 0 336.480 2.182 10 0 EEAERP COc1cc(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C2CC2)ccc1C ZINC001480062754 1099590055 /nfs/dbraw/zinc/59/00/55/1099590055.db2.gz DQDFWYXXQNTVEZ-GOSISDBHSA-N 2 0 345.487 2.084 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccn(C(C)C)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444745206 1099622277 /nfs/dbraw/zinc/62/22/77/1099622277.db2.gz GLTHQYRAOYWUBN-ROUUACIJSA-N 2 0 349.523 2.179 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085924 1099639439 /nfs/dbraw/zinc/63/94/39/1099639439.db2.gz VMICPJPISWBWAC-RDJZCZTQSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001444784035 1099691958 /nfs/dbraw/zinc/69/19/58/1099691958.db2.gz LDKDSRBURILOJP-GJZGRUSLSA-N 2 0 344.459 2.106 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC(F)(F)F ZINC001444880254 1099900635 /nfs/dbraw/zinc/90/06/35/1099900635.db2.gz ZOAPGNRGCBPACU-KGLIPLIRSA-N 2 0 335.414 2.011 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)sc1C ZINC001480263552 1099948335 /nfs/dbraw/zinc/94/83/35/1099948335.db2.gz UKKXTGJWECTBSX-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001480295569 1100009821 /nfs/dbraw/zinc/00/98/21/1100009821.db2.gz FGGDAAPCSNNTCA-MOPGFXCFSA-N 2 0 331.504 2.398 10 0 EEAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001445002952 1100139924 /nfs/dbraw/zinc/13/99/24/1100139924.db2.gz DAVRSPAWLPIZNK-QGZVFWFLSA-N 2 0 344.503 2.416 10 0 EEAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001480393026 1100200559 /nfs/dbraw/zinc/20/05/59/1100200559.db2.gz PDUQAIUJZIKGNQ-KOJMZCSTSA-N 2 0 331.504 2.406 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CCOC3CCC3)CC2)CCC1 ZINC001480403569 1100216528 /nfs/dbraw/zinc/21/65/28/1100216528.db2.gz RDANFCRWTDZMGQ-UHFFFAOYSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H](C[NH2+]CCCCc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229872 1100788061 /nfs/dbraw/zinc/78/80/61/1100788061.db2.gz MCBFDARHKUOINO-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccc2nsnc21 ZINC001495132926 1100799616 /nfs/dbraw/zinc/79/96/16/1100799616.db2.gz AVVYUMMMIRYQOC-AWEZNQCLSA-N 2 0 349.504 2.016 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001495137131 1100808181 /nfs/dbraw/zinc/80/81/81/1100808181.db2.gz JVGXMSQZRNVXFA-WBVHZDCISA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nc(C)sc1C ZINC001495138189 1100808870 /nfs/dbraw/zinc/80/88/70/1100808870.db2.gz LZSFRGGHZDCLTG-CQSZACIVSA-N 2 0 326.510 2.085 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001446465456 1100889159 /nfs/dbraw/zinc/88/91/59/1100889159.db2.gz VFKGUABEQXXQFH-HUUCEWRRSA-N 2 0 333.467 2.385 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C2CC2)C1 ZINC001495298715 1100998423 /nfs/dbraw/zinc/99/84/23/1100998423.db2.gz JKAMRRCRGHXSPK-QFBILLFUSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496451832 1101044026 /nfs/dbraw/zinc/04/40/26/1101044026.db2.gz YHLHBWOZPUEOJB-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001495380573 1101100038 /nfs/dbraw/zinc/10/00/38/1101100038.db2.gz QEZBDQUGQZHSPN-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)oc1C ZINC001495397264 1101118930 /nfs/dbraw/zinc/11/89/30/1101118930.db2.gz RCESFDKGGWGGCJ-KRWDZBQOSA-N 2 0 348.491 2.106 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCC(F)(F)F)CC2)CC1 ZINC001495427469 1101144387 /nfs/dbraw/zinc/14/43/87/1101144387.db2.gz GSWJDDUIVUEMEK-UHFFFAOYSA-N 2 0 349.441 2.499 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001496562033 1101163329 /nfs/dbraw/zinc/16/33/29/1101163329.db2.gz ONQYCRYWXZGLHN-KBPBESRZSA-N 2 0 348.318 2.378 10 0 EEAERP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001495466537 1101178171 /nfs/dbraw/zinc/17/81/71/1101178171.db2.gz LGAXYJWWYAYNCF-QAQDUYKDSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1nocc1C[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001446657576 1101179402 /nfs/dbraw/zinc/17/94/02/1101179402.db2.gz BPFSMBXSXAZVEJ-INIZCTEOSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001496603664 1101203997 /nfs/dbraw/zinc/20/39/97/1101203997.db2.gz UGGJIEYVXNJSMH-YJBOKZPZSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001446684270 1101237940 /nfs/dbraw/zinc/23/79/40/1101237940.db2.gz WBRSBBVSBCUBHE-LJQANCHMSA-N 2 0 332.492 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN(C)Cc2cncs2)C1 ZINC001496766382 1101424580 /nfs/dbraw/zinc/42/45/80/1101424580.db2.gz BOCUSMOHBFVLGG-HNNXBMFYSA-N 2 0 338.521 2.155 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001496770108 1101434802 /nfs/dbraw/zinc/43/48/02/1101434802.db2.gz PCEGFIBDTYFFEN-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]32)o1 ZINC001496867142 1101641282 /nfs/dbraw/zinc/64/12/82/1101641282.db2.gz JGWPVRYEJZIRHM-IAGOWNOFSA-N 2 0 348.491 2.054 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001446965687 1101674523 /nfs/dbraw/zinc/67/45/23/1101674523.db2.gz BYQBXJUTAMLRBO-DOTOQJQBSA-N 2 0 335.467 2.352 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cncs2)CCC1 ZINC001496890865 1101675750 /nfs/dbraw/zinc/67/57/50/1101675750.db2.gz XGJLPZPFIPUMHH-HIFRSBDPSA-N 2 0 336.505 2.002 10 0 EEAERP CCc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001446974309 1101686230 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2.170 10 0 EEAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001496111840 1102083794 /nfs/dbraw/zinc/08/37/94/1102083794.db2.gz QOPIPZRUTGSNQX-UONOGXRCSA-N 2 0 333.411 2.066 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+]Cc2cncs2)CCC1)CC(C)(C)C ZINC001447238486 1102262552 /nfs/dbraw/zinc/26/25/52/1102262552.db2.gz PMJWPXOMPDIYFP-UHFFFAOYSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001447374392 1102554195 /nfs/dbraw/zinc/55/41/95/1102554195.db2.gz DERUYCCIDWMLPR-KRWDZBQOSA-N 2 0 349.523 2.004 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001497549693 1102654468 /nfs/dbraw/zinc/65/44/68/1102654468.db2.gz UKXZJHIIDUJUKG-OKYAQOQYSA-N 2 0 329.435 2.168 10 0 EEAERP CC1([NH2+]CC[C@@H]2CCCCO2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001447565225 1102872381 /nfs/dbraw/zinc/87/23/81/1102872381.db2.gz NBVHJGHKCCDGRI-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@H]2CCCCO2)CC1 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ZINC001508144398 1115427213 /nfs/dbraw/zinc/42/72/13/1115427213.db2.gz BBVVJXZXYIAXAE-UHFFFAOYSA-N 2 0 344.459 2.249 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CC[C@H](C)F)CC2)CC1 ZINC001508164890 1115432701 /nfs/dbraw/zinc/43/27/01/1115432701.db2.gz CXDKBBSVFBWRGR-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCOC1CCC1 ZINC001567964269 1124207023 /nfs/dbraw/zinc/20/70/23/1124207023.db2.gz HQCLGENUUJFDRN-OAHLLOKOSA-N 2 0 344.459 2.310 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568121089 1124313938 /nfs/dbraw/zinc/31/39/38/1124313938.db2.gz MLTJAVGHPJVYGA-ZWKOTPCHSA-N 2 0 333.451 2.379 10 0 EEAERP COCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001568155577 1124330234 /nfs/dbraw/zinc/33/02/34/1124330234.db2.gz SYPBQZDCFDQGEX-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568286064 1124405051 /nfs/dbraw/zinc/40/50/51/1124405051.db2.gz UUGPZXGNWCMPOM-CQSZACIVSA-N 2 0 327.432 2.118 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncc(F)c1 ZINC001568639120 1124652182 /nfs/dbraw/zinc/65/21/82/1124652182.db2.gz KNRJNZLTPQIWDE-YOEHRIQHSA-N 2 0 336.455 2.080 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568742480 1124756510 /nfs/dbraw/zinc/75/65/10/1124756510.db2.gz UHXMZAWHPVRFNL-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)CC[C@H]2CCC[N@H+]2C)sn1 ZINC001568865751 1124890981 /nfs/dbraw/zinc/89/09/81/1124890981.db2.gz KJDMNSUCRQWRPD-NHZBNJEXSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001568950961 1124984666 /nfs/dbraw/zinc/98/46/66/1124984666.db2.gz MUTVCVKRKSXMTI-QGZUEGPWSA-N 2 0 333.451 2.238 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001568964107 1124999919 /nfs/dbraw/zinc/99/99/19/1124999919.db2.gz OSNHNTNXZIWKIL-ZMXQLYDGSA-N 2 0 349.425 2.310 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001568971067 1125008684 /nfs/dbraw/zinc/00/86/84/1125008684.db2.gz DVBDJAOMZJCUKN-QDLOVBKTSA-N 2 0 336.505 2.026 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001569210141 1125166755 /nfs/dbraw/zinc/16/67/55/1125166755.db2.gz PKINXMQVJHXFMM-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ncccn1 ZINC001569246771 1125192438 /nfs/dbraw/zinc/19/24/38/1125192438.db2.gz OZEDQYJEQZQDBB-IRXDYDNUSA-N 2 0 347.507 2.240 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000173946617 231077958 /nfs/dbraw/zinc/07/79/58/231077958.db2.gz BUVWIGCAHCUHHW-MAUKXSAKSA-N 2 0 332.492 2.372 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976990 530063510 /nfs/dbraw/zinc/06/35/10/530063510.db2.gz WCPGCRAPHIELFO-ZDUSSCGKSA-N 2 0 330.354 2.380 10 0 EEAERP C[NH+]1CCC(CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107846360 282692323 /nfs/dbraw/zinc/69/23/23/282692323.db2.gz OXUWSPWYDBYAEC-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP COc1ccc2c(c1)OCC(C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1)=C2 ZINC000069347474 215380895 /nfs/dbraw/zinc/38/08/95/215380895.db2.gz BFLJXYMXXRPPFE-HNNXBMFYSA-N 2 0 346.471 2.153 10 0 EEAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074653 240353157 /nfs/dbraw/zinc/35/31/57/240353157.db2.gz MLWLYZUXKZBVQK-WMZOPIPTSA-N 2 0 340.471 2.436 10 0 EEAERP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074652 240353221 /nfs/dbraw/zinc/35/32/21/240353221.db2.gz MLWLYZUXKZBVQK-SJLPKXTDSA-N 2 0 340.471 2.436 10 0 EEAERP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])COC)ccc2NC1=O ZINC000422810577 240237697 /nfs/dbraw/zinc/23/76/97/240237697.db2.gz NSTRODJDGQFGDW-INWMFGNUSA-N 2 0 335.448 2.201 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423065583 240348510 /nfs/dbraw/zinc/34/85/10/240348510.db2.gz UWTUDJOPHRSGJL-NJDAHSKKSA-N 2 0 343.515 2.254 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000266003577 248018850 /nfs/dbraw/zinc/01/88/50/248018850.db2.gz QGACEYHEFUHAQA-HZPDHXFCSA-N 2 0 333.476 2.182 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000268737523 252188572 /nfs/dbraw/zinc/18/85/72/252188572.db2.gz OOVYKEFQJNALJF-FPOVZHCZSA-N 2 0 344.547 2.124 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1C ZINC000337573762 285281255 /nfs/dbraw/zinc/28/12/55/285281255.db2.gz FXCMDZQNTDXBOC-KRWDZBQOSA-N 2 0 332.492 2.187 10 0 EEAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000268149276 256119518 /nfs/dbraw/zinc/11/95/18/256119518.db2.gz WCIUBRCEGUPADP-UGSOOPFHSA-N 2 0 348.466 2.169 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000129583200 292360326 /nfs/dbraw/zinc/36/03/26/292360326.db2.gz HNQGLXPDCGOKRD-CTWPCTMYSA-N 2 0 331.504 2.396 10 0 EEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000106123995 159311886 /nfs/dbraw/zinc/31/18/86/159311886.db2.gz NYPCGHCOENBXOM-AZUAARDMSA-N 2 0 331.504 2.474 10 0 EEAERP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCOCC2 ZINC000186310383 160066457 /nfs/dbraw/zinc/06/64/57/160066457.db2.gz FJQRYCBLKZTPJF-ROUUACIJSA-N 2 0 340.508 2.051 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000247148087 160312295 /nfs/dbraw/zinc/31/22/95/160312295.db2.gz LKDOUAYVWIUUQK-HZPDHXFCSA-N 2 0 333.476 2.038 10 0 EEAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)C(C)(C)C ZINC000343948972 161183293 /nfs/dbraw/zinc/18/32/93/161183293.db2.gz WGYULSOYADTDFR-IBGZPJMESA-N 2 0 333.520 2.143 10 0 EEAERP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ncccc1F ZINC000346319701 161362731 /nfs/dbraw/zinc/36/27/31/161362731.db2.gz UXICYHCJTWGGIQ-HNNXBMFYSA-N 2 0 338.471 2.056 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1C ZINC000346405876 161369625 /nfs/dbraw/zinc/36/96/25/161369625.db2.gz YHRUHEFXJASNET-LNLFQRSKSA-N 2 0 346.519 2.283 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000346489166 161376348 /nfs/dbraw/zinc/37/63/48/161376348.db2.gz KINQSACDAOOIJD-JKSUJKDBSA-N 2 0 329.554 2.250 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000346710661 161394879 /nfs/dbraw/zinc/39/48/79/161394879.db2.gz JXSQGNDEWMDAMU-LMMKCTJWSA-N 2 0 344.503 2.385 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C(=O)NCC[NH+](C)C ZINC000352728297 162262390 /nfs/dbraw/zinc/26/23/90/162262390.db2.gz YCBOHPKOFZAJQM-YJBOKZPZSA-N 2 0 335.492 2.005 10 0 EEAERP CC[C@@](C)(O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352895971 162336450 /nfs/dbraw/zinc/33/64/50/162336450.db2.gz GNEWYXMUNIHOJT-VQTJNVASSA-N 2 0 331.504 2.040 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccnn2C)CC1 ZINC000151500239 292474187 /nfs/dbraw/zinc/47/41/87/292474187.db2.gz ZXPNYFGFDQJDAF-UHFFFAOYSA-N 2 0 327.476 2.242 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375665450 167178146 /nfs/dbraw/zinc/17/81/46/167178146.db2.gz QIWWFGPTMOBEAE-MSOLQXFVSA-N 2 0 345.418 2.418 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC=CCC2)[C@H]1c1ccc(F)cc1 ZINC000373382240 277166567 /nfs/dbraw/zinc/16/65/67/277166567.db2.gz FYVSOJUQDUBDCV-ZWKOTPCHSA-N 2 0 346.450 2.132 10 0 EEAERP Cc1cnn(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000180127714 281693390 /nfs/dbraw/zinc/69/33/90/281693390.db2.gz HWPRUMSREOZLPS-UHFFFAOYSA-N 2 0 347.894 2.387 10 0 EEAERP COc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000293910839 293325340 /nfs/dbraw/zinc/32/53/40/293325340.db2.gz LTTPAIPFBLVICI-UHFFFAOYSA-N 2 0 335.467 2.294 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333670355 312180713 /nfs/dbraw/zinc/18/07/13/312180713.db2.gz YEXYCZMPOXTWGC-RPPNDORWSA-N 2 0 348.535 2.168 10 0 EEAERP [NH3+][C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000416811836 313322795 /nfs/dbraw/zinc/32/27/95/313322795.db2.gz DCARQVJYYFLQJJ-IAGOWNOFSA-N 2 0 342.443 2.416 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000416885684 313349048 /nfs/dbraw/zinc/34/90/48/313349048.db2.gz FQXVQROKVYTEOT-YJBOKZPZSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416900606 313354356 /nfs/dbraw/zinc/35/43/56/313354356.db2.gz XHNAOVQVIDNOIF-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP CC(C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000417002296 313390191 /nfs/dbraw/zinc/39/01/91/313390191.db2.gz GBQNDTIFXSBOEV-HUUCEWRRSA-N 2 0 346.466 2.039 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000417208123 313449128 /nfs/dbraw/zinc/44/91/28/313449128.db2.gz ALMCVXWKTLLKRY-QRQLOZEOSA-N 2 0 336.524 2.282 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)Cc1ccccc1F)C(=O)NCC[NH+](C)C ZINC000437778917 315051634 /nfs/dbraw/zinc/05/16/34/315051634.db2.gz BGGQGEKDWKHSKM-QAPCUYQASA-N 2 0 337.483 2.439 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453105590 315635418 /nfs/dbraw/zinc/63/54/18/315635418.db2.gz XESBCPNESYMRPE-DLBZAZTESA-N 2 0 341.503 2.374 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498014736 316332638 /nfs/dbraw/zinc/33/26/38/316332638.db2.gz KXZYLTVRDNNCQP-LZWOXQAQSA-N 2 0 338.521 2.380 10 0 EEAERP Cc1cncn1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000528266254 317348327 /nfs/dbraw/zinc/34/83/27/317348327.db2.gz ITDAMKPTINOGKH-GOSISDBHSA-N 2 0 326.444 2.362 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC12CC2 ZINC000528318361 317360228 /nfs/dbraw/zinc/36/02/28/317360228.db2.gz ICAZWHLEEUIXKZ-SFHVURJKSA-N 2 0 342.487 2.290 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000528450208 317390267 /nfs/dbraw/zinc/39/02/67/317390267.db2.gz NLCKOWLOVDXGDK-KVPLUYHFSA-N 2 0 346.515 2.399 10 0 EEAERP CN(CCC(=O)NCc1ccccc1C[NH+](C)C)c1cc[nH+]cc1 ZINC000540926904 318084400 /nfs/dbraw/zinc/08/44/00/318084400.db2.gz FMCZPDLVOOWERJ-UHFFFAOYSA-N 2 0 326.444 2.286 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000557113772 318669403 /nfs/dbraw/zinc/66/94/03/318669403.db2.gz UXNDCYKTJWDWKH-YJBOKZPZSA-N 2 0 330.476 2.080 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000563529159 319019677 /nfs/dbraw/zinc/01/96/77/319019677.db2.gz GXASCTUFKYCQGQ-NXHRZFHOSA-N 2 0 330.476 2.121 10 0 EEAERP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000573236475 319916491 /nfs/dbraw/zinc/91/64/91/319916491.db2.gz ARPFEUUJMQNYLD-TZIWHRDSSA-N 2 0 345.531 2.385 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000574786972 320057952 /nfs/dbraw/zinc/05/79/52/320057952.db2.gz HHWXRAPPWWDFLR-HQRMLTQVSA-N 2 0 344.503 2.463 10 0 EEAERP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000579223336 323803284 /nfs/dbraw/zinc/80/32/84/323803284.db2.gz YBWQMWZYKYHWHC-SQNIBIBYSA-N 2 0 325.541 2.037 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000113575424 462603298 /nfs/dbraw/zinc/60/32/98/462603298.db2.gz USEJPUFAWAHXEQ-ZACQAIPSSA-N 2 0 346.475 2.295 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000065057594 462734550 /nfs/dbraw/zinc/73/45/50/462734550.db2.gz NVQGOBCBQQEVPD-INIZCTEOSA-N 2 0 333.476 2.231 10 0 EEAERP C[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)C(C)(C)C[NH+](C)C ZINC000119403215 462898328 /nfs/dbraw/zinc/89/83/28/462898328.db2.gz MEBNMSRUTLVXDZ-HNNXBMFYSA-N 2 0 347.507 2.326 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCO)CC2CC2)CC1 ZINC000092506009 462958176 /nfs/dbraw/zinc/95/81/76/462958176.db2.gz FYYDREQRTHLLRC-UHFFFAOYSA-N 2 0 331.504 2.423 10 0 EEAERP CN1CCC(CNC(=O)c2ccc(F)cc2[O-])([NH+]2CCCCC2)CC1 ZINC000123939100 463378843 /nfs/dbraw/zinc/37/88/43/463378843.db2.gz XNHVISFVGHTXCF-UHFFFAOYSA-N 2 0 349.450 2.211 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000124189682 463397067 /nfs/dbraw/zinc/39/70/67/463397067.db2.gz WCRTZNBCCJUUHU-BEFAXECRSA-N 2 0 336.524 2.306 10 0 EEAERP O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000150772019 463423950 /nfs/dbraw/zinc/42/39/50/463423950.db2.gz BTEWPAXQYJOYQZ-CABCVRRESA-N 2 0 347.425 2.205 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000185162904 463765977 /nfs/dbraw/zinc/76/59/77/463765977.db2.gz WLEVHUXPAFCNTE-GOSISDBHSA-N 2 0 332.492 2.417 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2ccnc2c1 ZINC000177761032 463785282 /nfs/dbraw/zinc/78/52/82/463785282.db2.gz CWVOZWPPYLPHJQ-JKSUJKDBSA-N 2 0 327.432 2.103 10 0 EEAERP COC1(C[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC1 ZINC000277022653 463847223 /nfs/dbraw/zinc/84/72/23/463847223.db2.gz DKKGOPPQFNNLOG-INIZCTEOSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cnn1C ZINC000277048413 463856315 /nfs/dbraw/zinc/85/63/15/463856315.db2.gz QBZBKJMWKMQSHJ-LJQANCHMSA-N 2 0 328.460 2.109 10 0 EEAERP CN(C)C(=O)c1cccc(CN(CC[NH3+])CCc2ccccc2)c1 ZINC000261844469 463877535 /nfs/dbraw/zinc/87/75/35/463877535.db2.gz XBCDFUCBVNNFNV-UHFFFAOYSA-N 2 0 325.456 2.392 10 0 EEAERP [NH3+]C[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)C1CCCC1 ZINC000579691814 468396607 /nfs/dbraw/zinc/39/66/07/468396607.db2.gz WZFXCDOFPSTXHN-LJQANCHMSA-N 2 0 329.488 2.476 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000174122310 464364410 /nfs/dbraw/zinc/36/44/10/464364410.db2.gz DPRQIARVPZRXQQ-UHFFFAOYSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000246387281 464579305 /nfs/dbraw/zinc/57/93/05/464579305.db2.gz IEFZRGGKOAWPIO-XWTMOSNGSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246446617 464585879 /nfs/dbraw/zinc/58/58/79/464585879.db2.gz CKOCNVOOSZRBHA-KSZLIROESA-N 2 0 338.540 2.479 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000175646093 464593655 /nfs/dbraw/zinc/59/36/55/464593655.db2.gz GGMNHUSVTUBNBH-BZSNNMDCSA-N 2 0 332.492 2.461 10 0 EEAERP O[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000568974323 468415254 /nfs/dbraw/zinc/41/52/54/468415254.db2.gz CYUYIECARBZVTM-CUWPLCDZSA-N 2 0 338.451 2.436 10 0 EEAERP C(CCN1CC[NH+]2CCCC[C@H]2C1)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248357829 464744646 /nfs/dbraw/zinc/74/46/46/464744646.db2.gz PYKXTMXHRSPBMV-SFTDATJTSA-N 2 0 348.579 2.497 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1C ZINC000266830080 464836764 /nfs/dbraw/zinc/83/67/64/464836764.db2.gz ZDHJXPKNMCNWNT-OALUTQOASA-N 2 0 344.503 2.244 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)C1 ZINC000249121013 464843520 /nfs/dbraw/zinc/84/35/20/464843520.db2.gz PVSATTCHMNCFGJ-NUJGCVRESA-N 2 0 330.476 2.070 10 0 EEAERP CCC(CC)[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CCOCC1 ZINC000183343570 464852570 /nfs/dbraw/zinc/85/25/70/464852570.db2.gz KXCPAEGRSVPEIM-SFHVURJKSA-N 2 0 348.491 2.014 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000268241691 464987914 /nfs/dbraw/zinc/98/79/14/464987914.db2.gz VCXCTSAQDFCFNF-DNVCBOLYSA-N 2 0 327.472 2.495 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000356931980 465638467 /nfs/dbraw/zinc/63/84/67/465638467.db2.gz IMSVUYKDVCNHHK-ZWKOTPCHSA-N 2 0 331.504 2.421 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OCCO ZINC000353451603 465892260 /nfs/dbraw/zinc/89/22/60/465892260.db2.gz AUPMAHCXFZGQNW-GVDBMIGSSA-N 2 0 334.460 2.029 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(OC)cc(C)n1 ZINC000349039968 465934842 /nfs/dbraw/zinc/93/48/42/465934842.db2.gz ZPIAZYOXEZICOS-GOSISDBHSA-N 2 0 334.508 2.247 10 0 EEAERP COCCOC[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346231769 466013523 /nfs/dbraw/zinc/01/35/23/466013523.db2.gz YHQPMUVLRVICIV-INIZCTEOSA-N 2 0 330.432 2.061 10 0 EEAERP C[N@H+](CCCn1ccnc1)[C@@H]1CCC[NH+](CCCn2ccnc2)CC1 ZINC000361990174 466464213 /nfs/dbraw/zinc/46/42/13/466464213.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 2 0 344.507 2.346 10 0 EEAERP CC[NH+](CC)Cc1ccc(NC(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000347214189 466481096 /nfs/dbraw/zinc/48/10/96/466481096.db2.gz VZLGIYSLOSWTRT-UHFFFAOYSA-N 2 0 332.492 2.104 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000358185816 466523874 /nfs/dbraw/zinc/52/38/74/466523874.db2.gz INEMGLROFUNXJS-SFHVURJKSA-N 2 0 334.508 2.202 10 0 EEAERP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367738048 466527740 /nfs/dbraw/zinc/52/77/40/466527740.db2.gz RBHDTJQJRAHMJQ-KURKYZTESA-N 2 0 332.444 2.201 10 0 EEAERP CN1CC[NH+](CC2(C)CCN(Cc3ncc(C4CC4)o3)CC2)CC1 ZINC000363790450 466618749 /nfs/dbraw/zinc/61/87/49/466618749.db2.gz ABNPXKVMALDDSP-UHFFFAOYSA-N 2 0 332.492 2.402 10 0 EEAERP CCOC(=O)C1CCC(O)(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000372964493 466648914 /nfs/dbraw/zinc/64/89/14/466648914.db2.gz ZBKUJZAOYACURV-UHFFFAOYSA-N 2 0 338.492 2.031 10 0 EEAERP C[NH+](C)C1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000372974252 466650630 /nfs/dbraw/zinc/65/06/30/466650630.db2.gz DMIDLWGVTTZIAL-HXUWFJFHSA-N 2 0 331.504 2.304 10 0 EEAERP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252999 472042414 /nfs/dbraw/zinc/04/24/14/472042414.db2.gz FSWJQUSFRXKFDG-RTBURBONSA-N 2 0 346.471 2.197 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417109613 466782386 /nfs/dbraw/zinc/78/23/86/466782386.db2.gz KRIZFEGEFMBWIR-PKOBYXMFSA-N 2 0 342.487 2.187 10 0 EEAERP O=C1C[C@@]2(CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)CN1 ZINC000411682197 466877103 /nfs/dbraw/zinc/87/71/03/466877103.db2.gz XEAZOQVPRFRSGK-FQEVSTJZSA-N 2 0 327.472 2.385 10 0 EEAERP CCCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000417655710 466899526 /nfs/dbraw/zinc/89/95/26/466899526.db2.gz FQIARSQBJFKGOG-INIZCTEOSA-N 2 0 336.455 2.171 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417874766 466965538 /nfs/dbraw/zinc/96/55/38/466965538.db2.gz NLOXQBNZSANNCE-XGXHKWSGSA-N 2 0 342.487 2.043 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417929932 466988795 /nfs/dbraw/zinc/98/87/95/466988795.db2.gz TVOBQOYKWMJNFB-MUQADHOPSA-N 2 0 332.492 2.322 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417929931 466989207 /nfs/dbraw/zinc/98/92/07/466989207.db2.gz TVOBQOYKWMJNFB-CVYDXHPNSA-N 2 0 332.492 2.322 10 0 EEAERP COc1ccc(CNC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000374165979 467020140 /nfs/dbraw/zinc/02/01/40/467020140.db2.gz VCMXAESXDVYNFE-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418365488 467099978 /nfs/dbraw/zinc/09/99/78/467099978.db2.gz XUUAVQNJYFENDE-HUUCEWRRSA-N 2 0 340.418 2.106 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000414707468 467431039 /nfs/dbraw/zinc/43/10/39/467431039.db2.gz PQJYBWLZFBCDPO-AEFFLSMTSA-N 2 0 333.451 2.030 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414750048 467434497 /nfs/dbraw/zinc/43/44/97/467434497.db2.gz XGCKXQQSGNYBHJ-RBSFLKMASA-N 2 0 349.441 2.497 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414929304 467452045 /nfs/dbraw/zinc/45/20/45/467452045.db2.gz NRXQKKUUCQWREG-XEZPLFJOSA-N 2 0 335.448 2.009 10 0 EEAERP C[C@H](C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000414964755 467457850 /nfs/dbraw/zinc/45/78/50/467457850.db2.gz CCHPXAOCHWDIKR-HOCLYGCPSA-N 2 0 329.410 2.291 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000415006879 467466767 /nfs/dbraw/zinc/46/67/67/467466767.db2.gz CBAHEBSNJRZYQN-MXWKQRLJSA-N 2 0 328.254 2.492 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415036080 467472073 /nfs/dbraw/zinc/47/20/73/467472073.db2.gz LHBSQMUXBZRHRW-MJGOQNOKSA-N 3 0 330.520 2.436 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000449128931 467619941 /nfs/dbraw/zinc/61/99/41/467619941.db2.gz TUUWNXDNAYLSIR-KRWDZBQOSA-N 2 0 332.488 2.213 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528721523 467738880 /nfs/dbraw/zinc/73/88/80/467738880.db2.gz QIGHLNFLOOATOC-SJORKVTESA-N 2 0 344.459 2.259 10 0 EEAERP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000450395843 467841898 /nfs/dbraw/zinc/84/18/98/467841898.db2.gz UIJFXDIRQMHQNC-HLAWJBBLSA-N 2 0 345.531 2.253 10 0 EEAERP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000450395841 467842203 /nfs/dbraw/zinc/84/22/03/467842203.db2.gz UIJFXDIRQMHQNC-GIVPXCGWSA-N 2 0 345.531 2.253 10 0 EEAERP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000529358136 467851936 /nfs/dbraw/zinc/85/19/36/467851936.db2.gz NTRRUSVPNFCKEZ-SFHVURJKSA-N 2 0 342.487 2.189 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000531446160 468053572 /nfs/dbraw/zinc/05/35/72/468053572.db2.gz UKADRLNPFLXFHP-DOTOQJQBSA-N 2 0 330.476 2.205 10 0 EEAERP Cc1ccc2nc(CSCC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cn2c1 ZINC000594401839 468573450 /nfs/dbraw/zinc/57/34/50/468573450.db2.gz JEJVAULQECZZSY-FZNQNYSPSA-N 2 0 346.500 2.332 10 0 EEAERP Cc1nc(CN2CCC(CNc3nc(C)ncc3C)CC2)oc1C ZINC000558529761 468686668 /nfs/dbraw/zinc/68/66/68/468686668.db2.gz RNBKKQLZLYBHKQ-UHFFFAOYSA-N 2 0 329.448 3.022 10 0 EEAERP COCCN(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000583448900 468699552 /nfs/dbraw/zinc/69/95/52/468699552.db2.gz ULDOODSSUBBITM-MJBXVCDLSA-N 2 0 326.403 2.026 10 0 EEAERP CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571325301 468772199 /nfs/dbraw/zinc/77/21/99/468772199.db2.gz DSUJOLIQVRPPCH-INIZCTEOSA-N 2 0 341.908 2.435 10 0 EEAERP CC(C)[NH2+]CCCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000584340975 468849392 /nfs/dbraw/zinc/84/93/92/468849392.db2.gz FJDWIRRMCHOTRA-SJORKVTESA-N 2 0 336.455 2.040 10 0 EEAERP CC[NH+](Cc1cncc(C[N@@H+](CC)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000562539672 468983690 /nfs/dbraw/zinc/98/36/90/468983690.db2.gz RCDRGQYWFCZKCM-KDURUIRLSA-N 2 0 333.476 2.303 10 0 EEAERP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)O1 ZINC000572888677 469015854 /nfs/dbraw/zinc/01/58/54/469015854.db2.gz ZLCDPNNHFLTVHF-CBGDNZLLSA-N 2 0 343.515 2.406 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000573940217 469235981 /nfs/dbraw/zinc/23/59/81/469235981.db2.gz HQAHARNSSAVFAS-IBGZPJMESA-N 2 0 336.524 2.426 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000616982645 469558385 /nfs/dbraw/zinc/55/83/85/469558385.db2.gz MFRUUJNVUYLWEN-CVEARBPZSA-N 2 0 334.464 2.200 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000617010460 469569860 /nfs/dbraw/zinc/56/98/60/469569860.db2.gz PLMRWFFLFIPKAM-SFHVURJKSA-N 2 0 329.488 2.424 10 0 EEAERP [NH3+]C[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1C(F)(F)F ZINC000629581535 469584190 /nfs/dbraw/zinc/58/41/90/469584190.db2.gz ANWJOWFWIWKQLN-HOCLYGCPSA-N 2 0 327.394 2.434 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623495225 469675453 /nfs/dbraw/zinc/67/54/53/469675453.db2.gz VYWLDBIQWGIPKE-INIZCTEOSA-N 2 0 347.503 2.352 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921360 469754480 /nfs/dbraw/zinc/75/44/80/469754480.db2.gz XXSARPNVTSQYAO-OWCLPIDISA-N 2 0 334.464 2.246 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626930689 469759345 /nfs/dbraw/zinc/75/93/45/469759345.db2.gz GUHJXYJGHZAINA-MAUKXSAKSA-N 2 0 330.476 2.009 10 0 EEAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000626974468 469773999 /nfs/dbraw/zinc/77/39/99/469773999.db2.gz GRQVYINPHZRVCI-WBVHZDCISA-N 2 0 330.476 2.091 10 0 EEAERP C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000627033890 469797540 /nfs/dbraw/zinc/79/75/40/469797540.db2.gz XLVIVXYHIOCMAH-LWCVALJOSA-N 2 0 344.503 2.319 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627199023 469841293 /nfs/dbraw/zinc/84/12/93/469841293.db2.gz QCENYJKMMYXBLU-ZIFCJYIRSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624343496 469911160 /nfs/dbraw/zinc/91/11/60/469911160.db2.gz WEMUTSOANOFNIE-HNAYVOBHSA-N 2 0 345.487 2.431 10 0 EEAERP C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000625198222 470093564 /nfs/dbraw/zinc/09/35/64/470093564.db2.gz RZECXMXKEHFBNM-RBUKOAKNSA-N 2 0 332.488 2.106 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000625284583 470112244 /nfs/dbraw/zinc/11/22/44/470112244.db2.gz AYVNFJWNEMGNFX-RCCFBDPRSA-N 2 0 349.906 2.178 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCC2(O)CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000631701888 470178733 /nfs/dbraw/zinc/17/87/33/470178733.db2.gz QTLQOTGYSWGKMI-MSOLQXFVSA-N 2 0 331.504 2.480 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000634557961 470266579 /nfs/dbraw/zinc/26/65/79/470266579.db2.gz LOUWQQPAEAETQO-KRWDZBQOSA-N 2 0 337.427 2.327 10 0 EEAERP OC1(C2CC[NH+](C/C=C\C[NH+]3CCC(C4(O)CC4)CC3)CC2)CC1 ZINC000649671033 470661647 /nfs/dbraw/zinc/66/16/47/470661647.db2.gz FZQXGJNCUKPZON-UPHRSURJSA-N 2 0 334.504 2.016 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647326074 470882880 /nfs/dbraw/zinc/88/28/80/470882880.db2.gz XAUBAMLZXBXZCM-WMZOPIPTSA-N 2 0 327.476 2.248 10 0 EEAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)c1 ZINC000647789577 470984728 /nfs/dbraw/zinc/98/47/28/470984728.db2.gz HJYQLYSNZAWYJF-ZJPYXAASSA-N 2 0 329.488 2.499 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804097 470988792 /nfs/dbraw/zinc/98/87/92/470988792.db2.gz IUMMKFKUYRJFHK-AEGPPILISA-N 2 0 343.393 2.080 10 0 EEAERP Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657485266 471150354 /nfs/dbraw/zinc/15/03/54/471150354.db2.gz YLJUDKMQYACGOD-KDOFPFPSSA-N 2 0 338.415 2.011 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000651939899 471176805 /nfs/dbraw/zinc/17/68/05/471176805.db2.gz UPZHUAOAROKKPX-QXCZDIPSSA-N 2 0 327.472 2.141 10 0 EEAERP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597292 471181162 /nfs/dbraw/zinc/18/11/62/471181162.db2.gz SLFFEIRIUJXVCY-GOSISDBHSA-N 2 0 340.471 2.154 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000652224729 471258406 /nfs/dbraw/zinc/25/84/06/471258406.db2.gz GSUCGMSPYXUKAT-KRWDZBQOSA-N 2 0 338.540 2.384 10 0 EEAERP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)C[C@H]1C[NH3+] ZINC000652357557 471278446 /nfs/dbraw/zinc/27/84/46/471278446.db2.gz WYUWLULRQIWGLL-UKRRQHHQSA-N 2 0 337.489 2.033 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000652361514 471280066 /nfs/dbraw/zinc/28/00/66/471280066.db2.gz JJOPQAFSMCBPEG-LZQZEXGQSA-N 2 0 349.519 2.281 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659031810 471475554 /nfs/dbraw/zinc/47/55/54/471475554.db2.gz OELRFQCLSQRXAJ-WMLDXEAASA-N 2 0 334.464 2.199 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113474 471495610 /nfs/dbraw/zinc/49/56/10/471495610.db2.gz CTDMBOXHWBLBGN-SXLOBPIMSA-N 2 0 341.499 2.198 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000653210945 471537458 /nfs/dbraw/zinc/53/74/58/471537458.db2.gz MHHNBXHGSKXEMX-UHFFFAOYSA-N 2 0 337.467 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1CCCCC1 ZINC000655931513 471547106 /nfs/dbraw/zinc/54/71/06/471547106.db2.gz KPERWJHBCCSWRH-ZDUSSCGKSA-N 2 0 338.418 2.220 10 0 EEAERP CCc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+](CC)CC)cc1 ZINC000669590909 471571362 /nfs/dbraw/zinc/57/13/62/471571362.db2.gz VUFRWOQBAQGKLI-DVBCCOPCSA-N 2 0 332.492 2.446 10 0 EEAERP C[NH+](C)CC[C@@H](N)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000653347976 471593472 /nfs/dbraw/zinc/59/34/72/471593472.db2.gz WXACEBXOQBSPQU-BCFZYGEVSA-N 2 0 345.491 2.095 10 0 EEAERP O=C(C[NH2+]C1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381414 471599886 /nfs/dbraw/zinc/59/98/86/471599886.db2.gz KQDIADIHYQHIPY-QGZVFWFLSA-N 2 0 327.472 2.157 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C(C)C)C1CC1 ZINC000667014041 471624027 /nfs/dbraw/zinc/62/40/27/471624027.db2.gz MJASYTMESSWVLI-QZTJIDSGSA-N 2 0 338.540 2.479 10 0 EEAERP CC[C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000659433401 471625600 /nfs/dbraw/zinc/62/56/00/471625600.db2.gz DAXNURQMLGHIRE-RBUKOAKNSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667082945 471648010 /nfs/dbraw/zinc/64/80/10/471648010.db2.gz GUXDUQFYSBCULF-WMLDXEAASA-N 2 0 334.464 2.137 10 0 EEAERP CSc1ccc([C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)cc1 ZINC000659498954 471657579 /nfs/dbraw/zinc/65/75/79/471657579.db2.gz ZREAOPGVGPEZDW-MNQCNDSGSA-N 2 0 348.516 2.144 10 0 EEAERP Cn1c2ccccc2cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000653569594 471667609 /nfs/dbraw/zinc/66/76/09/471667609.db2.gz YWXLMPJYYYEZGW-UHFFFAOYSA-N 2 0 334.423 2.256 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000659620951 471702164 /nfs/dbraw/zinc/70/21/64/471702164.db2.gz RDTNKZNWWXUYQG-NVXWUHKLSA-N 2 0 347.507 2.482 10 0 EEAERP c1c(C[C@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656455426 471722737 /nfs/dbraw/zinc/72/27/37/471722737.db2.gz GVADZSUBEFOZHC-IEBWSBKVSA-N 2 0 325.460 2.267 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000665364244 472021700 /nfs/dbraw/zinc/02/17/00/472021700.db2.gz MQIDSDYTVIRIKR-SJORKVTESA-N 2 0 336.524 2.233 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662307548 472064845 /nfs/dbraw/zinc/06/48/45/472064845.db2.gz XDNMVGDYQUEAQH-GOSISDBHSA-N 2 0 339.911 2.472 10 0 EEAERP Cc1cnn(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662326772 472072288 /nfs/dbraw/zinc/07/22/88/472072288.db2.gz BTZHXGQKNTWOKK-UHFFFAOYSA-N 2 0 342.491 2.261 10 0 EEAERP CCC[NH+](CCC)CCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662442461 472110222 /nfs/dbraw/zinc/11/02/22/472110222.db2.gz MAIPHPYSEXGHCO-UHFFFAOYSA-N 2 0 336.480 2.384 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662464447 472118055 /nfs/dbraw/zinc/11/80/55/472118055.db2.gz PUAIFYJJGGCJET-MRXNPFEDSA-N 2 0 347.507 2.071 10 0 EEAERP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000662698632 472212959 /nfs/dbraw/zinc/21/29/59/472212959.db2.gz PBTLAOAAPARTSO-OAHLLOKOSA-N 2 0 327.472 2.224 10 0 EEAERP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662713122 472218725 /nfs/dbraw/zinc/21/87/25/472218725.db2.gz XNKSDWBQCQKLRT-ROUUACIJSA-N 2 0 329.488 2.388 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662800847 472257557 /nfs/dbraw/zinc/25/75/57/472257557.db2.gz GMFRIDHIYGPUAK-HNNXBMFYSA-N 2 0 342.487 2.398 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000668813945 472278969 /nfs/dbraw/zinc/27/89/69/472278969.db2.gz KYEAGQTUMROYGA-SFHVURJKSA-N 2 0 330.476 2.224 10 0 EEAERP [NH3+]C1(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000662919917 472298124 /nfs/dbraw/zinc/29/81/24/472298124.db2.gz PIUPRROFDPRJQY-KRWDZBQOSA-N 2 0 327.472 2.286 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000452385059 485478450 /nfs/dbraw/zinc/47/84/50/485478450.db2.gz CPFCFWUMDJLZMP-RBUKOAKNSA-N 2 0 347.503 2.033 10 0 EEAERP C[NH+](Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000673855994 485557644 /nfs/dbraw/zinc/55/76/44/485557644.db2.gz ICXYBXAFXWEVQR-LEWJYISDSA-N 2 0 345.531 2.143 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000679433268 485692900 /nfs/dbraw/zinc/69/29/00/485692900.db2.gz RWGCMPGPMFFHSL-INIZCTEOSA-N 2 0 328.420 2.071 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000681317188 486208691 /nfs/dbraw/zinc/20/86/91/486208691.db2.gz LIJAELNKTVDCBV-OALUTQOASA-N 2 0 344.503 2.290 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000681655663 486300045 /nfs/dbraw/zinc/30/00/45/486300045.db2.gz UXCDVBKQTYGCDQ-QUCCMNQESA-N 2 0 344.503 2.435 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(c2ncc(Br)cc2C[NH2+]C)CC1 ZINC000055073458 535566005 /nfs/dbraw/zinc/56/60/05/535566005.db2.gz PODPFHQMMQIARM-GFCCVEGCSA-N 2 0 341.297 2.484 10 0 EEAERP COc1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423544845 536930795 /nfs/dbraw/zinc/93/07/95/536930795.db2.gz IZSZOVOXTGQRRM-YSDSKTICSA-N 2 0 329.488 2.466 10 0 EEAERP Cc1cc(Br)cc(C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000774978868 577425263 /nfs/dbraw/zinc/42/52/63/577425263.db2.gz OISZYMKFJJEIIH-UHFFFAOYSA-N 2 0 340.309 2.485 10 0 EEAERP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000776649500 577465312 /nfs/dbraw/zinc/46/53/12/577465312.db2.gz ILXJZCSRMHJMIK-YFHOEESVSA-N 2 0 345.487 2.193 10 0 EEAERP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000776649498 577465319 /nfs/dbraw/zinc/46/53/19/577465319.db2.gz ILXJZCSRMHJMIK-JXMROGBWSA-N 2 0 345.487 2.193 10 0 EEAERP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccns1 ZINC000924875617 681583407 /nfs/dbraw/zinc/58/34/07/681583407.db2.gz DCZHYBOPRQQUJS-HNNXBMFYSA-N 2 0 331.489 2.401 10 0 EEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938361 681737431 /nfs/dbraw/zinc/73/74/31/681737431.db2.gz KVLDXDZGGSADMO-WOJBJXKFSA-N 2 0 344.499 2.479 10 0 EEAERP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCO)c2c1OC(F)(F)O2 ZINC000894537562 682960128 /nfs/dbraw/zinc/96/01/28/682960128.db2.gz CXGNFOPJSKEYOE-UHFFFAOYSA-N 2 0 330.375 2.274 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2c(F)cccc2F)C[C@@H]([NH3+])C1 ZINC000925594331 684592901 /nfs/dbraw/zinc/59/29/01/684592901.db2.gz FWQBQMNJZBXHCS-NEPJUHHUSA-N 2 0 325.403 2.190 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924653543 693080133 /nfs/dbraw/zinc/08/01/33/693080133.db2.gz AAHAGZWIYHNMBC-QGZVFWFLSA-N 2 0 333.524 2.361 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/C=C(Cl)Cl)C[C@H]1C[NH+](C)C ZINC000899158925 693630920 /nfs/dbraw/zinc/63/09/20/693630920.db2.gz SJHGCBUWOGNCOP-MVTQWGDUSA-N 2 0 334.291 2.059 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001485527502 1191826539 /nfs/dbraw/zinc/82/65/39/1191826539.db2.gz ZJAGUBMJYCDQEU-UONOGXRCSA-N 2 0 349.441 2.497 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]2C1 ZINC001485657989 1191878782 /nfs/dbraw/zinc/87/87/82/1191878782.db2.gz QJRQBLNTBNUFBQ-XUVXKRRUSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485747346 1191929918 /nfs/dbraw/zinc/92/99/18/1191929918.db2.gz BAKXYZLJYHCNTH-NVXWUHKLSA-N 2 0 345.487 2.043 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001266547252 1176807722 /nfs/dbraw/zinc/80/77/22/1176807722.db2.gz MZFDJIWHCXIUHS-FQEVSTJZSA-N 2 0 343.515 2.460 10 0 EEAERP O=C(N[C@H](C[NH2+]CCCC1CCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001670470817 1176816704 /nfs/dbraw/zinc/81/67/04/1176816704.db2.gz ZRISPLSZGCTSMM-RBUKOAKNSA-N 2 0 333.520 2.393 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCCc3ccccc3)C2)C1 ZINC001266565789 1176856718 /nfs/dbraw/zinc/85/67/18/1176856718.db2.gz OMQQOGQDEOBQDN-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001266826124 1177498776 /nfs/dbraw/zinc/49/87/76/1177498776.db2.gz NRINBLNFNOPHFU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001691171029 1177668637 /nfs/dbraw/zinc/66/86/37/1177668637.db2.gz LWYMIZTWYVGSCC-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001266975457 1177958052 /nfs/dbraw/zinc/95/80/52/1177958052.db2.gz MMOLJFZFCXZTKM-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001267063997 1178175234 /nfs/dbraw/zinc/17/52/34/1178175234.db2.gz BKFTYWXIKUJQQL-ZLNADXECSA-N 2 0 341.499 2.480 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001267303153 1178719801 /nfs/dbraw/zinc/71/98/01/1178719801.db2.gz KVCFUDUHHPWWTK-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)O1 ZINC001267409007 1178981949 /nfs/dbraw/zinc/98/19/49/1178981949.db2.gz OXRLIVIKLKQYLL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)c1ccc(F)cc1 ZINC001481011887 1179490165 /nfs/dbraw/zinc/49/01/65/1179490165.db2.gz QNVMALWUWMYSFD-OAHLLOKOSA-N 2 0 333.451 2.421 10 0 EEAERP C[C@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267593499 1179589816 /nfs/dbraw/zinc/58/98/16/1179589816.db2.gz MAAMFGXSOHDZDR-SJORKVTESA-N 2 0 347.507 2.050 10 0 EEAERP Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CCCC2)cc1F ZINC001481070197 1179678787 /nfs/dbraw/zinc/67/87/87/1179678787.db2.gz FNALFFFQCJVSGI-KRWDZBQOSA-N 2 0 333.451 2.311 10 0 EEAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001267729609 1180316562 /nfs/dbraw/zinc/31/65/62/1180316562.db2.gz CBZNFCUBIBNIRA-LJQANCHMSA-N 2 0 333.520 2.465 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(COC)cc2)CC[N@@H+]1C ZINC001481232000 1180366020 /nfs/dbraw/zinc/36/60/20/1180366020.db2.gz UQKJYMMYTVCMJJ-RBUKOAKNSA-N 2 0 347.503 2.111 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)C1CC[NH+](C)CC1 ZINC001481276450 1180652788 /nfs/dbraw/zinc/65/27/88/1180652788.db2.gz AVWHJJFQTRCMES-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP C[N@H+](CC(=O)NC1CN(C[C@@H]2CCCC(F)(F)C2)C1)C1CCC1 ZINC001481564029 1181724319 /nfs/dbraw/zinc/72/43/19/1181724319.db2.gz BRNPOXAKNHEWJF-CYBMUJFWSA-N 2 0 329.435 2.097 10 0 EEAERP CN(CC[N@H+](C)CCCCC1CCOCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001268231969 1182052049 /nfs/dbraw/zinc/05/20/49/1182052049.db2.gz GQTQUTPHRCLDAZ-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001481673100 1182187054 /nfs/dbraw/zinc/18/70/54/1182187054.db2.gz SZJFQJORSZSIOA-ULQDDVLXSA-N 2 0 325.472 2.286 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268368941 1182349470 /nfs/dbraw/zinc/34/94/70/1182349470.db2.gz NWFIJLYWDDGNIM-ZDUSSCGKSA-N 2 0 336.480 2.014 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001268380145 1182402686 /nfs/dbraw/zinc/40/26/86/1182402686.db2.gz PSRDZIVCBHGARW-INIZCTEOSA-N 2 0 345.487 2.308 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001268425684 1182593234 /nfs/dbraw/zinc/59/32/34/1182593234.db2.gz GWLAYKNHJOIEGU-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CC[NH2+]CCCc1ccc(C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439737 1182614764 /nfs/dbraw/zinc/61/47/64/1182614764.db2.gz UBYWSVYJSMREDN-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001481867498 1182838597 /nfs/dbraw/zinc/83/85/97/1182838597.db2.gz CLJIRJKWJMUGBY-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)c(C)n1 ZINC001481891703 1182902367 /nfs/dbraw/zinc/90/23/67/1182902367.db2.gz HLMGFAFOUKTPAA-SFHVURJKSA-N 2 0 344.503 2.311 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1cnc[nH]1 ZINC001268483458 1182941579 /nfs/dbraw/zinc/94/15/79/1182941579.db2.gz GZKSMTYFIGFXAA-CYBMUJFWSA-N 2 0 328.407 2.216 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCO)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001481960043 1183040408 /nfs/dbraw/zinc/04/04/08/1183040408.db2.gz FMURUEYCCKFVTO-JXFKEZNVSA-N 2 0 347.503 2.009 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001481980680 1183074748 /nfs/dbraw/zinc/07/47/48/1183074748.db2.gz BXZLBOQRMPDKHU-KRWDZBQOSA-N 2 0 339.499 2.440 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001481986974 1183082605 /nfs/dbraw/zinc/08/26/05/1183082605.db2.gz ACCJXJFBKUTBKF-AWEZNQCLSA-N 2 0 347.425 2.253 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCOC1CCCCCC1 ZINC001268523505 1183177047 /nfs/dbraw/zinc/17/70/47/1183177047.db2.gz RAQDYRVJLHXUHP-HPFMTEOYSA-N 2 0 337.508 2.082 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001482042700 1183216777 /nfs/dbraw/zinc/21/67/77/1183216777.db2.gz CMACHZHPECKMPG-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(CN2CCC3(C2)CCN(C(=O)CCC[NH+](C)C)CC3)co1 ZINC001482070478 1183296707 /nfs/dbraw/zinc/29/67/07/1183296707.db2.gz QPWHAEUMXXCKJO-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCc1ccccc1F ZINC001482103066 1183336508 /nfs/dbraw/zinc/33/65/08/1183336508.db2.gz XNKKFYWBEXUPHN-CRAIPNDOSA-N 2 0 347.478 2.052 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482113290 1183349935 /nfs/dbraw/zinc/34/99/35/1183349935.db2.gz KXJWNKPLCVKFNM-QFBILLFUSA-N 2 0 346.519 2.079 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268663322 1183591037 /nfs/dbraw/zinc/59/10/37/1183591037.db2.gz HFUHMOSVWRRVQQ-QRQLOZEOSA-N 2 0 329.488 2.392 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268754166 1183670409 /nfs/dbraw/zinc/67/04/09/1183670409.db2.gz ZQWQHEKQPXOXKU-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C12CCC[NH+]1CCC2 ZINC001268804589 1183719247 /nfs/dbraw/zinc/71/92/47/1183719247.db2.gz GPMFGADBESBEDN-FGTMMUONSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]CC[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001268802068 1183720157 /nfs/dbraw/zinc/72/01/57/1183720157.db2.gz MHGVYUATJKCIPZ-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268810470 1183725673 /nfs/dbraw/zinc/72/56/73/1183725673.db2.gz FGSYCAWKZDBVDN-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CN(CC2=CCCCC2)CCO1 ZINC001482207311 1183998699 /nfs/dbraw/zinc/99/86/99/1183998699.db2.gz PQGINEROSZIQGU-LJQANCHMSA-N 2 0 349.519 2.180 10 0 EEAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001269436751 1184266423 /nfs/dbraw/zinc/26/64/23/1184266423.db2.gz ANUPQIFMYDSXMQ-DLBZAZTESA-N 2 0 337.508 2.057 10 0 EEAERP CCC[NH2+]C[C@@]1(NC(=O)COC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001269677701 1184502779 /nfs/dbraw/zinc/50/27/79/1184502779.db2.gz VVHFUUCMXVFHBP-APWZRJJASA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)no1 ZINC001269765815 1184603432 /nfs/dbraw/zinc/60/34/32/1184603432.db2.gz LLISLZNAZBHYSG-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001270017623 1184789397 /nfs/dbraw/zinc/78/93/97/1184789397.db2.gz JGPLVVLSECKDAW-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001270067183 1184823487 /nfs/dbraw/zinc/82/34/87/1184823487.db2.gz RONJXSWTLPZJEC-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001270260961 1184969031 /nfs/dbraw/zinc/96/90/31/1184969031.db2.gz JPLOBTNNMWJLGM-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1scnc1C ZINC001482291785 1185123826 /nfs/dbraw/zinc/12/38/26/1185123826.db2.gz HYVBUFVMGBDMJJ-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1OC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365587 1185524268 /nfs/dbraw/zinc/52/42/68/1185524268.db2.gz WUZREJJIIPOFRA-DOTOQJQBSA-N 2 0 345.487 2.116 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482399342 1185616465 /nfs/dbraw/zinc/61/64/65/1185616465.db2.gz YIHTVLXCTNSYDA-QWHCGFSZSA-N 2 0 336.307 2.378 10 0 EEAERP O=C(Cn1ccnc1)N[C@@H](CNCc1cscn1)C1CCCCC1 ZINC001482412028 1185642999 /nfs/dbraw/zinc/64/29/99/1185642999.db2.gz JNXUXHOPDHPHRT-INIZCTEOSA-N 2 0 347.488 2.195 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270989358 1185791409 /nfs/dbraw/zinc/79/14/09/1185791409.db2.gz ZWTFYQNAUZXXJF-OAHLLOKOSA-N 2 0 335.467 2.289 10 0 EEAERP CC(C)=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001271099098 1185885661 /nfs/dbraw/zinc/88/56/61/1185885661.db2.gz AKLVFUQZLMLTSU-HNNXBMFYSA-N 2 0 331.451 2.368 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001271701401 1186380574 /nfs/dbraw/zinc/38/05/74/1186380574.db2.gz XSKSOFPUJQAXDN-APWZRJJASA-N 2 0 346.519 2.306 10 0 EEAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001271854470 1186555161 /nfs/dbraw/zinc/55/51/61/1186555161.db2.gz UFCLIFYCUQPISC-CEXWTWQISA-N 2 0 333.520 2.299 10 0 EEAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001272791324 1193500408 /nfs/dbraw/zinc/50/04/08/1193500408.db2.gz QGWLJVOTPNGYIM-WMLDXEAASA-N 2 0 333.480 2.241 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCCCF)CC1 ZINC001482685107 1187650692 /nfs/dbraw/zinc/65/06/92/1187650692.db2.gz DYAOQGOUQNUQDC-DLBZAZTESA-N 2 0 327.488 2.343 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482933156 1187853113 /nfs/dbraw/zinc/85/31/13/1187853113.db2.gz AQBHXUGLBUEIJT-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCCc2ccccc21 ZINC001482992712 1187970641 /nfs/dbraw/zinc/97/06/41/1187970641.db2.gz YIEQNTOTBWAFJY-WWAPKCSDSA-N 2 0 327.472 2.420 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C)nc1C ZINC001483015267 1188001866 /nfs/dbraw/zinc/00/18/66/1188001866.db2.gz HFRUNVYEYLMHMF-SFFCAUCYSA-N 2 0 344.503 2.335 10 0 EEAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001409264399 1188234581 /nfs/dbraw/zinc/23/45/81/1188234581.db2.gz AHCUIQGANHRUKA-UHFFFAOYSA-N 2 0 344.459 2.154 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001671039348 1193551246 /nfs/dbraw/zinc/55/12/46/1193551246.db2.gz MQPVVTQQLGMCBM-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001671039250 1193551349 /nfs/dbraw/zinc/55/13/49/1193551349.db2.gz LLXYLYILXIYSOX-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@@H]1CCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001483083877 1188445362 /nfs/dbraw/zinc/44/53/62/1188445362.db2.gz RVINNOVBSMGSFZ-DDKKJVIOSA-N 2 0 325.456 2.032 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001409290107 1188602819 /nfs/dbraw/zinc/60/28/19/1188602819.db2.gz RGHPLKHMVFBGCT-CPJLXRDDSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1nc(C[NH2+]CC2CC(NC(=O)CCC[NH+]3CCCC3)C2)oc1C ZINC001409290557 1188603414 /nfs/dbraw/zinc/60/34/14/1188603414.db2.gz ODWDFRAHAXHIMX-UHFFFAOYSA-N 2 0 348.491 2.152 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001409355313 1189566270 /nfs/dbraw/zinc/56/62/70/1189566270.db2.gz HXQQSWKXUNTYJM-HZPDHXFCSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001485883004 1193628567 /nfs/dbraw/zinc/62/85/67/1193628567.db2.gz YWLZQQMGRUVMDH-OAHLLOKOSA-N 2 0 332.492 2.119 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001485895162 1193632619 /nfs/dbraw/zinc/63/26/19/1193632619.db2.gz YBAXBLUJLIRPEK-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001485908338 1193636557 /nfs/dbraw/zinc/63/65/57/1193636557.db2.gz QBQFZHRQQYCNQD-HOTGVXAUSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001485915207 1193638784 /nfs/dbraw/zinc/63/87/84/1193638784.db2.gz TUNFEVBZKHXOEB-HNNXBMFYSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@@H](C[N@H+](C)CC1CC(F)(F)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483351177 1190386803 /nfs/dbraw/zinc/38/68/03/1190386803.db2.gz CKMHFCLFDNAVSA-AWEZNQCLSA-N 2 0 343.462 2.344 10 0 EEAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001483376162 1190417324 /nfs/dbraw/zinc/41/73/24/1190417324.db2.gz DJHUTMCBOWWHNT-AEFFLSMTSA-N 2 0 337.508 2.033 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CCC(F)(F)F)C1 ZINC001483376270 1190417390 /nfs/dbraw/zinc/41/73/90/1190417390.db2.gz FUYIOMZXNBGSET-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410740 1190456069 /nfs/dbraw/zinc/45/60/69/1190456069.db2.gz WJIDORAMYPMTOD-MRXNPFEDSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001483436822 1190480325 /nfs/dbraw/zinc/48/03/25/1190480325.db2.gz KQAATXPCWGGFET-RHSMWYFYSA-N 2 0 332.423 2.490 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C2CCC2)co1 ZINC001483437177 1190480770 /nfs/dbraw/zinc/48/07/70/1190480770.db2.gz MMKVHDWFIDOZOH-CRAIPNDOSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)co1 ZINC001483474601 1190496683 /nfs/dbraw/zinc/49/66/83/1190496683.db2.gz KKGKOLZBOMYXNY-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1c(C)noc1C)C1CC1 ZINC001483563026 1190552163 /nfs/dbraw/zinc/55/21/63/1190552163.db2.gz FUDQQOYVTXWDNV-MSOLQXFVSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1nc(CNC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C2CC2)co1 ZINC001483569936 1190558881 /nfs/dbraw/zinc/55/88/81/1190558881.db2.gz FNQFERNLOPBJAR-QZTJIDSGSA-N 2 0 348.491 2.088 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC001483734539 1190848489 /nfs/dbraw/zinc/84/84/89/1190848489.db2.gz AGKROKWOXGSBNC-ZWKOTPCHSA-N 2 0 345.487 2.034 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483775103 1191018796 /nfs/dbraw/zinc/01/87/96/1191018796.db2.gz NCXYKWXDPVGFBU-CVEARBPZSA-N 2 0 325.472 2.382 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483913144 1191114060 /nfs/dbraw/zinc/11/40/60/1191114060.db2.gz FQDRIISPCHWMAO-DOTOQJQBSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1c(C(=O)N2CCC[C@@H]2C[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001483936290 1191123937 /nfs/dbraw/zinc/12/39/37/1191123937.db2.gz HWIBAKUMGQNAAQ-MRXNPFEDSA-N 2 0 344.459 2.262 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1C[NH2+]CCCF ZINC001483953058 1191129888 /nfs/dbraw/zinc/12/98/88/1191129888.db2.gz VBGLDMZYELKLIN-KRWDZBQOSA-N 2 0 325.472 2.049 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccns1)C1CCCC1 ZINC001483995729 1191148355 /nfs/dbraw/zinc/14/83/55/1191148355.db2.gz HPQFKKMNUINSDM-HOTGVXAUSA-N 2 0 336.505 2.002 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]1(C)CCN(Cc2cccc(Cl)n2)C1 ZINC001484059770 1191181650 /nfs/dbraw/zinc/18/16/50/1191181650.db2.gz YSSVCBKNPDCWSW-QGZVFWFLSA-N 2 0 338.883 2.157 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCOCC1 ZINC001484190413 1191265850 /nfs/dbraw/zinc/26/58/50/1191265850.db2.gz OOZBMHIQTPGISJ-UHFFFAOYSA-N 2 0 347.503 2.092 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484374701 1191322135 /nfs/dbraw/zinc/32/21/35/1191322135.db2.gz AZBAASSXQUUHBR-WMZOPIPTSA-N 2 0 347.503 2.221 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccc(F)cn1 ZINC001484464090 1191368699 /nfs/dbraw/zinc/36/86/99/1191368699.db2.gz JEXWOUKGEUOUGX-QZTJIDSGSA-N 2 0 348.466 2.128 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484537937 1191404583 /nfs/dbraw/zinc/40/45/83/1191404583.db2.gz QELAOROZARCZLH-DLBZAZTESA-N 2 0 347.478 2.496 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001484541381 1191406511 /nfs/dbraw/zinc/40/65/11/1191406511.db2.gz LNDCXYQKOPSYKU-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484717388 1191481820 /nfs/dbraw/zinc/48/18/20/1191481820.db2.gz BIUIPTXIGXMVHZ-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484812671 1191533493 /nfs/dbraw/zinc/53/34/93/1191533493.db2.gz CPLGFQJSMNHRMC-INIZCTEOSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](CC[C@@H](C)F)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001485033550 1191625884 /nfs/dbraw/zinc/62/58/84/1191625884.db2.gz LONGAGUPDSYQCT-NVXWUHKLSA-N 2 0 327.488 2.247 10 0 EEAERP CCCCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485055313 1191628492 /nfs/dbraw/zinc/62/84/92/1191628492.db2.gz JNMYERTVFNOVNL-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485186897 1191684887 /nfs/dbraw/zinc/68/48/87/1191684887.db2.gz IKKYUEXHNDDUOB-JKSUJKDBSA-N 2 0 347.503 2.158 10 0 EEAERP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485229439 1191698782 /nfs/dbraw/zinc/69/87/82/1191698782.db2.gz YLCOPEXINBYCAN-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001485514340 1191816429 /nfs/dbraw/zinc/81/64/29/1191816429.db2.gz VWZFUOUKBPCQPT-GXTWGEPZSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001486211155 1193751506 /nfs/dbraw/zinc/75/15/06/1193751506.db2.gz SXQBQIWSWKLJLD-WBVHZDCISA-N 2 0 335.467 2.460 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCCCC(F)(F)F)C(C)(C)C2)C1 ZINC001486248783 1193775535 /nfs/dbraw/zinc/77/55/35/1193775535.db2.gz GNHINVZSCHIOQD-KGLIPLIRSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)N(CC[N@H+](C)CC[C@@H]1CCOC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486374224 1193880965 /nfs/dbraw/zinc/88/09/65/1193880965.db2.gz QNSOUOPVULKPSH-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1)[NH+](CC)CC ZINC001486476096 1193989295 /nfs/dbraw/zinc/98/92/95/1193989295.db2.gz MIJYKRXVGHUHHH-JCYILVPMSA-N 2 0 336.480 2.182 10 0 EEAERP Cc1ccc(C[N@H+]2CC=C(CNC(=O)CCC[NH+](C)C)CC2)c(C)n1 ZINC001486514168 1194033269 /nfs/dbraw/zinc/03/32/69/1194033269.db2.gz RNILTOACHDUKCC-UHFFFAOYSA-N 2 0 344.503 2.289 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001272995042 1194303283 /nfs/dbraw/zinc/30/32/83/1194303283.db2.gz VAFOHHJMSNVNGH-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP COc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001273123463 1194407084 /nfs/dbraw/zinc/40/70/84/1194407084.db2.gz UUMZSJVXQVALAF-SJLPKXTDSA-N 2 0 347.503 2.330 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](C[C@@H](F)CC)C2 ZINC001410171650 1197583541 /nfs/dbraw/zinc/58/35/41/1197583541.db2.gz QILPZIKWBFZVIO-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](Cc3ccccn3)C[C@]2(C)C1 ZINC001410181882 1197590757 /nfs/dbraw/zinc/59/07/57/1197590757.db2.gz NQNQDWVZUDMEET-BGYRXZFFSA-N 2 0 344.503 2.092 10 0 EEAERP CC(C)[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000872020518 1198027994 /nfs/dbraw/zinc/02/79/94/1198027994.db2.gz HWSFQAFTOCGBNG-BZSNNMDCSA-N 2 0 325.541 2.442 10 0 EEAERP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158873 1198065387 /nfs/dbraw/zinc/06/53/87/1198065387.db2.gz YPZWXIPFPIPZIV-LZLYRXPVSA-N 2 0 339.524 2.147 10 0 EEAERP CC(C)(C)OC(=O)CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000865776809 1198372337 /nfs/dbraw/zinc/37/23/37/1198372337.db2.gz JWYPBDBSEOYDJJ-IRXDYDNUSA-N 2 0 337.508 2.009 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(COC)cc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381494 1198422598 /nfs/dbraw/zinc/42/25/98/1198422598.db2.gz HUCSGPCJJARHKY-VQIMIIECSA-N 2 0 347.503 2.111 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001273381936 1198423505 /nfs/dbraw/zinc/42/35/05/1198423505.db2.gz MSLMTMKDQYDQJP-LJQANCHMSA-N 2 0 329.488 2.275 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CC[NH+](C)C ZINC001410853612 1198504859 /nfs/dbraw/zinc/50/48/59/1198504859.db2.gz JTKLCBAPOZJDPP-WMLDXEAASA-N 2 0 337.895 2.413 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001410858085 1198509476 /nfs/dbraw/zinc/50/94/76/1198509476.db2.gz RNSCBDAPEVFXIB-DOMZBBRYSA-N 2 0 338.521 2.179 10 0 EEAERP C[NH+]1CCC(C(=O)NCC[C@H](Cc2ccccc2)[NH2+]CCF)CC1 ZINC001410926430 1198590431 /nfs/dbraw/zinc/59/04/31/1198590431.db2.gz GZALVGPLYMGFGT-GOSISDBHSA-N 2 0 335.467 2.005 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001411221953 1198932717 /nfs/dbraw/zinc/93/27/17/1198932717.db2.gz JIELJVFOKUYHOY-QGZVFWFLSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1cc(C)cc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870017156 1200409941 /nfs/dbraw/zinc/40/99/41/1200409941.db2.gz HNQHKSXTGFYPNO-RTBURBONSA-N 2 0 331.504 2.044 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1C[NH+](C)C ZINC000870017652 1200410013 /nfs/dbraw/zinc/41/00/13/1200410013.db2.gz PXFVRSJBCYROGR-VXGBXAGGSA-N 2 0 329.897 2.213 10 0 EEAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000866517130 1201537934 /nfs/dbraw/zinc/53/79/34/1201537934.db2.gz XFXRVDNTDJIPEB-KTAKPFMOSA-N 2 0 339.505 2.248 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000882392604 1201864536 /nfs/dbraw/zinc/86/45/36/1201864536.db2.gz OBJSOABBKRIYNQ-QZTJIDSGSA-N 2 0 328.460 2.004 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCCO1 ZINC001274023816 1204329411 /nfs/dbraw/zinc/32/94/11/1204329411.db2.gz FMUDTJWHUDYTJX-UBZMYNMCSA-N 2 0 337.508 2.080 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCCOC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001274087898 1204365400 /nfs/dbraw/zinc/36/54/00/1204365400.db2.gz DWRJPUZCYSOTFZ-HECAZONMSA-N 2 0 349.519 2.082 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CCOCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001274090307 1204366843 /nfs/dbraw/zinc/36/68/43/1204366843.db2.gz YZHNELZCZRROQJ-RTLBZRNLSA-N 2 0 349.519 2.082 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001274161454 1204420295 /nfs/dbraw/zinc/42/02/95/1204420295.db2.gz IOTIYRNNZJWHNC-IHWYPQMZSA-N 2 0 343.471 2.086 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCOCC)C1 ZINC001275024437 1205237325 /nfs/dbraw/zinc/23/73/25/1205237325.db2.gz CBFNCUQBUHOETB-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480526 1205378964 /nfs/dbraw/zinc/37/89/64/1205378964.db2.gz IKIUJVGOVDUVLJ-SJORKVTESA-N 2 0 347.503 2.198 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]CC[C@H]1CCOC1)[NH+]1CCCCCC1 ZINC001276258945 1205859006 /nfs/dbraw/zinc/85/90/06/1205859006.db2.gz OSOXNSPSQLMEPY-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001276298414 1205873368 /nfs/dbraw/zinc/87/33/68/1205873368.db2.gz UHAZHMOMPVPKCE-UHFFFAOYSA-N 2 0 348.491 2.222 10 0 EEAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924875171 1206045221 /nfs/dbraw/zinc/04/52/21/1206045221.db2.gz AZFXLRYRFJAGIE-UXHICEINSA-N 2 0 346.519 2.244 10 0 EEAERP C[C@H]1CC2(CC([NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)C2)CO1 ZINC000924878683 1206045372 /nfs/dbraw/zinc/04/53/72/1206045372.db2.gz ZENOIMDKHIOUQF-ZJRDLVKKSA-N 2 0 344.503 2.141 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)c1 ZINC000924920117 1206051490 /nfs/dbraw/zinc/05/14/90/1206051490.db2.gz LXIGKJBNRFCIII-KVSKMBFKSA-N 2 0 327.472 2.422 10 0 EEAERP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(OC)n1 ZINC000924962239 1206055633 /nfs/dbraw/zinc/05/56/33/1206055633.db2.gz ZYTIBUBRKRFBCW-QGZVFWFLSA-N 2 0 334.508 2.405 10 0 EEAERP CN(C)C(=O)CC[NH+]1CCC(N[C@H](c2ccccn2)C2CCC2)CC1 ZINC000925020719 1206061673 /nfs/dbraw/zinc/06/16/73/1206061673.db2.gz RWMMJRKDPMKVDP-FQEVSTJZSA-N 2 0 344.503 2.455 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCN[C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925528175 1206123599 /nfs/dbraw/zinc/12/35/99/1206123599.db2.gz YVOGPFNTORTGAP-HXUWFJFHSA-N 2 0 342.531 2.381 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925634960 1206138240 /nfs/dbraw/zinc/13/82/40/1206138240.db2.gz NMPGZEHNICYODH-QYZOEREBSA-N 3 0 331.504 2.249 10 0 EEAERP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)c2)nn1 ZINC000925722488 1206146577 /nfs/dbraw/zinc/14/65/77/1206146577.db2.gz LKUVUMUSYMNLJO-IXDOHACOSA-N 2 0 341.459 2.021 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]2CC(C)(C)CO2)CC[NH2+]CC1 ZINC000925773299 1206152934 /nfs/dbraw/zinc/15/29/34/1206152934.db2.gz CJKPYVBLCCGRBC-HUUCEWRRSA-N 2 0 326.481 2.103 10 0 EEAERP C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc(N2CCOCC2)c1 ZINC000925780031 1206153677 /nfs/dbraw/zinc/15/36/77/1206153677.db2.gz QOJKIFXBZJFWTH-HOCLYGCPSA-N 2 0 339.430 2.419 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(CO)c1 ZINC000925808501 1206156060 /nfs/dbraw/zinc/15/60/60/1206156060.db2.gz LAFVFRWYEYBFAU-KRWDZBQOSA-N 2 0 339.483 2.435 10 0 EEAERP c1nnc([C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C2CCCCC2)[nH]1 ZINC000925842605 1206159246 /nfs/dbraw/zinc/15/92/46/1206159246.db2.gz ACOUWGRKLXTYMB-QGZVFWFLSA-N 2 0 334.512 2.091 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C[C@H]1C ZINC000925846868 1206159728 /nfs/dbraw/zinc/15/97/28/1206159728.db2.gz YDTSTVXFANIWDT-KZNAEPCWSA-N 2 0 339.524 2.019 10 0 EEAERP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925850514 1206160478 /nfs/dbraw/zinc/16/04/78/1206160478.db2.gz BQRJELDWEAQUSQ-QAPCUYQASA-N 2 0 346.471 2.291 10 0 EEAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2c(c1)CCO2 ZINC000925853629 1206161492 /nfs/dbraw/zinc/16/14/92/1206161492.db2.gz JNRUCPGTEDWWFW-SJORKVTESA-N 2 0 344.455 2.348 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1ccccc1Br ZINC000926556014 1206227244 /nfs/dbraw/zinc/22/72/44/1206227244.db2.gz PZZLOWANEYVFAU-SQJLCCANSA-N 2 0 339.277 2.412 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929771143 1206500286 /nfs/dbraw/zinc/50/02/86/1206500286.db2.gz KLMKNFATAAWXRG-KGLIPLIRSA-N 2 0 326.403 2.123 10 0 EEAERP O[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1(O)CCCC1 ZINC000930456025 1206559603 /nfs/dbraw/zinc/55/96/03/1206559603.db2.gz DBSGLNQFAUVRLO-VQTJNVASSA-N 2 0 344.499 2.250 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C)cn1 ZINC000931397274 1207370225 /nfs/dbraw/zinc/37/02/25/1207370225.db2.gz QTJDBYOQWPAQAA-KRWDZBQOSA-N 2 0 332.492 2.187 10 0 EEAERP Cc1ccccc1OCCCN1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001671110953 1212231479 /nfs/dbraw/zinc/23/14/79/1212231479.db2.gz HLCGHWKXTDJATF-SFHVURJKSA-N 2 0 345.487 2.001 10 0 EEAERP COCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001276327579 1215745577 /nfs/dbraw/zinc/74/55/77/1215745577.db2.gz ZBSSQANAZQEJCK-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000724627401 1230671446 /nfs/dbraw/zinc/67/14/46/1230671446.db2.gz HMKVDLPSUXGBQN-FLNBYBTLSA-N 2 0 330.472 2.291 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C12CC[NH+](CC1)C2 ZINC000900016192 1233976804 /nfs/dbraw/zinc/97/68/04/1233976804.db2.gz MQJDOINXAXXQHD-UHFFFAOYSA-N 2 0 327.472 2.385 10 0 EEAERP C[NH+](C)CC[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000903376375 1240343632 /nfs/dbraw/zinc/34/36/32/1240343632.db2.gz CSEFTPAKSOVBAI-VQTJNVASSA-N 2 0 346.519 2.307 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903432396 1240458518 /nfs/dbraw/zinc/45/85/18/1240458518.db2.gz AECKHAYLLKQLHZ-APWZRJJASA-N 2 0 329.488 2.179 10 0 EEAERP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@H]3C[C@]4(CC[NH2+]C4)CO3)c1)OCCO2 ZINC000903725780 1241732005 /nfs/dbraw/zinc/73/20/05/1241732005.db2.gz HGCIRUXWJTVWRK-SYNHAJSKSA-N 2 0 344.455 2.363 10 0 EEAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779221 1241923142 /nfs/dbraw/zinc/92/31/42/1241923142.db2.gz WOFOCOHZDMNXIY-VQIMIIECSA-N 2 0 346.475 2.285 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(c3ccc(C)nc3)CC2)cnn1C ZINC000903910956 1242445184 /nfs/dbraw/zinc/44/51/84/1242445184.db2.gz TYXUAPCZUDFJPV-KRWDZBQOSA-N 2 0 341.503 2.429 10 0 EEAERP Fc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)cn1 ZINC000826816432 1248083006 /nfs/dbraw/zinc/08/30/06/1248083006.db2.gz VADOJFUVNDGSPF-UHFFFAOYSA-N 2 0 325.403 2.340 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CC2(CC2(F)F)C1 ZINC000827480493 1248171375 /nfs/dbraw/zinc/17/13/75/1248171375.db2.gz DDIWSHKGXCVWQI-UHFFFAOYSA-N 2 0 331.451 2.154 10 0 EEAERP CC[NH+]1CCC(CNC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000827631778 1248514844 /nfs/dbraw/zinc/51/48/44/1248514844.db2.gz QKIMQAUIUNLEOU-OAHLLOKOSA-N 2 0 338.883 2.281 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001491050456 1258612752 /nfs/dbraw/zinc/61/27/52/1258612752.db2.gz KKOATLOQUHGVRY-GASCZTMLSA-N 2 0 325.403 2.313 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491157567 1258734234 /nfs/dbraw/zinc/73/42/34/1258734234.db2.gz QQEGLMOCTVDOBQ-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001491453910 1259104491 /nfs/dbraw/zinc/10/44/91/1259104491.db2.gz DWMLRGRJCOLOMV-WMZOPIPTSA-N 2 0 333.476 2.033 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccc(OC)c1 ZINC001480996254 1276697607 /nfs/dbraw/zinc/69/76/07/1276697607.db2.gz QNMFJRLEZHSFIR-WMZOPIPTSA-N 2 0 347.503 2.364 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)CC[NH+](C)C ZINC001481277923 1276737763 /nfs/dbraw/zinc/73/77/63/1276737763.db2.gz YCEYGGZIGOXTNH-UHFFFAOYSA-N 2 0 331.382 2.205 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cccc2c1CCOC2)[NH+](C)C ZINC001273609987 1281121526 /nfs/dbraw/zinc/12/15/26/1281121526.db2.gz GTODKTKEHXLQEX-IBGZPJMESA-N 2 0 347.503 2.038 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001273644640 1282110811 /nfs/dbraw/zinc/11/08/11/1282110811.db2.gz AROBDFXMSZLHLS-INIZCTEOSA-N 2 0 338.521 2.344 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001488744707 1290194463 /nfs/dbraw/zinc/19/44/63/1290194463.db2.gz XVLVNGATNGXLTN-LZWOXQAQSA-N 2 0 336.505 2.002 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001489097232 1290368693 /nfs/dbraw/zinc/36/86/93/1290368693.db2.gz UPOCHYUSOKNLNP-UONOGXRCSA-N 2 0 337.430 2.355 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC001489097510 1290368904 /nfs/dbraw/zinc/36/89/04/1290368904.db2.gz ZTJDVNHGTMFAJU-UONOGXRCSA-N 2 0 347.425 2.109 10 0 EEAERP COCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001489231707 1290481723 /nfs/dbraw/zinc/48/17/23/1290481723.db2.gz OEARFCWNSRGELP-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCOC1CCCCCC1 ZINC001490279802 1291106715 /nfs/dbraw/zinc/10/67/15/1291106715.db2.gz PNNMBLDULRCUEN-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CCOCC)C1 ZINC001490766369 1291702957 /nfs/dbraw/zinc/70/29/57/1291702957.db2.gz NGABCYWTMUCKIJ-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CCOCC3)C2)ccn1 ZINC000856552936 1293565068 /nfs/dbraw/zinc/56/50/68/1293565068.db2.gz ISHOBBGHUCLAFZ-LJQANCHMSA-N 2 0 333.476 2.413 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC[NH+]3CCCC3)C2)ccn1 ZINC000856591250 1293573928 /nfs/dbraw/zinc/57/39/28/1293573928.db2.gz LJFXGWANYYVMBG-IBGZPJMESA-N 2 0 332.492 2.082 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3OCCO3)C2)ccn1 ZINC000856605547 1293579298 /nfs/dbraw/zinc/57/92/98/1293579298.db2.gz XOOBPQAHQPFMLB-SFHVURJKSA-N 2 0 349.475 2.138 10 0 EEAERP O=C(NCC[NH+]1CCC1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000860357711 1294940993 /nfs/dbraw/zinc/94/09/93/1294940993.db2.gz IVHANAJLLLZYIY-GOSISDBHSA-N 2 0 327.472 2.111 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000861567836 1295459356 /nfs/dbraw/zinc/45/93/56/1295459356.db2.gz QBHKWDOQXBCGLG-CRAIPNDOSA-N 2 0 336.524 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ZINC000697086684 1304315835 /nfs/dbraw/zinc/31/58/35/1304315835.db2.gz QAOFFLICQCGDBX-LSDHHAIUSA-N 2 0 341.496 2.133 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC001278251174 1308914988 /nfs/dbraw/zinc/91/49/88/1308914988.db2.gz LXUVIDXPRKXHNO-WBVHZDCISA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C[C@H]1C ZINC001278424961 1310206600 /nfs/dbraw/zinc/20/66/00/1310206600.db2.gz XXWRCJLJCWADEL-HIFRSBDPSA-N 2 0 338.883 2.154 10 0 EEAERP C[N@@H+]1C[C@@]23CN(C(=O)NCCC[NH+]4CCCCC4)C[C@]2(C1)CCCC3 ZINC001123477074 1310581742 /nfs/dbraw/zinc/58/17/42/1310581742.db2.gz XBNNHWTYDREHGA-BGYRXZFFSA-N 2 0 348.535 2.380 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Cl)n1 ZINC000841849896 1315623240 /nfs/dbraw/zinc/62/32/40/1315623240.db2.gz OOIOCDYHZRBDTA-CYUUQNCZSA-N 2 0 336.867 2.019 10 0 EEAERP O=C(NC1CCC([NH+]2CCCCC2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841856379 1315624518 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339.524 2.116 10 0 EEAERP Cc1nsc(C)c1C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265058051 1322897045 /nfs/dbraw/zinc/89/70/45/1322897045.db2.gz GGOHXKGCNCXEKI-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC[C@@H]1CCCO1 ZINC001265129254 1322935859 /nfs/dbraw/zinc/93/58/59/1322935859.db2.gz DTFCTFWTFSOVLB-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001265194605 1322978933 /nfs/dbraw/zinc/97/89/33/1322978933.db2.gz IUOLAJWGGAAXHK-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001265316875 1323063889 /nfs/dbraw/zinc/06/38/89/1323063889.db2.gz FGBZGTUBDFEACX-IBGZPJMESA-N 2 0 329.488 2.296 10 0 EEAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001265492310 1323181729 /nfs/dbraw/zinc/18/17/29/1323181729.db2.gz NZVKCOQPDGZEQK-BQFCYCMXSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ncsc1C[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001265864558 1323438243 /nfs/dbraw/zinc/43/82/43/1323438243.db2.gz JPKNUNOUJFEPFS-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001265902951 1323471820 /nfs/dbraw/zinc/47/18/20/1323471820.db2.gz YTHMJRIKEGCYAJ-MRXNPFEDSA-N 2 0 347.507 2.159 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)c1 ZINC001265974274 1323534152 /nfs/dbraw/zinc/53/41/52/1323534152.db2.gz HAEDPDMKQJROJN-INIZCTEOSA-N 2 0 333.476 2.290 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cn1 ZINC001265978738 1323539090 /nfs/dbraw/zinc/53/90/90/1323539090.db2.gz WHLXXPXVAAQJLI-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP COCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001266186557 1323752538 /nfs/dbraw/zinc/75/25/38/1323752538.db2.gz FHROKROIHFRRPS-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001281684538 1325399509 /nfs/dbraw/zinc/39/95/09/1325399509.db2.gz TXPXIWKAUQWZBE-DLBZAZTESA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317162497 1325563622 /nfs/dbraw/zinc/56/36/22/1325563622.db2.gz UGLOVPWQTGNXDY-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(CC[NH2+]CC2CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001282058586 1325603114 /nfs/dbraw/zinc/60/31/14/1325603114.db2.gz PVZGHWRMECTTCJ-QHGAOEGBSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001282227090 1325656664 /nfs/dbraw/zinc/65/66/64/1325656664.db2.gz FTTMIGVHPNHUAX-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP CCCCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282664227 1325760109 /nfs/dbraw/zinc/76/01/09/1325760109.db2.gz ZVDXGMFTQITSNU-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283192789 1325950961 /nfs/dbraw/zinc/95/09/61/1325950961.db2.gz UXXFYVGGRGEPBB-MAUKXSAKSA-N 2 0 332.492 2.249 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001283417293 1326058865 /nfs/dbraw/zinc/05/88/65/1326058865.db2.gz TWPUJKXGZCKWMG-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP CN(C(=O)CC[NH+]1CCCCC1)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001283556590 1326129778 /nfs/dbraw/zinc/12/97/78/1326129778.db2.gz KECPPOBWXLGHGU-RDTXFTJFSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611392 1326161655 /nfs/dbraw/zinc/16/16/55/1326161655.db2.gz BFLYCZMYICMDMI-RCCFBDPRSA-N 2 0 347.503 2.151 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001284155813 1326438912 /nfs/dbraw/zinc/43/89/12/1326438912.db2.gz WKXCXJSQGYBNKV-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001284212791 1326462330 /nfs/dbraw/zinc/46/23/30/1326462330.db2.gz UOAPHAPDKRNLBJ-OLZOCXBDSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCOC2CCC2)C(C)(C)C)C1 ZINC001284625705 1326636297 /nfs/dbraw/zinc/63/62/97/1326636297.db2.gz RNNXWIMRZSJISZ-WBVHZDCISA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001284643841 1326644566 /nfs/dbraw/zinc/64/45/66/1326644566.db2.gz QKJOWZOVGRMMIO-GFCCVEGCSA-N 2 0 325.419 2.401 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001491603082 1330200820 /nfs/dbraw/zinc/20/08/20/1330200820.db2.gz QLYQUDNTHVKMGR-DLBZAZTESA-N 2 0 332.492 2.249 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3cncc(F)c3)C2)CC1 ZINC001491881768 1330287421 /nfs/dbraw/zinc/28/74/21/1330287421.db2.gz JIEFHRQLPIRUJB-DLBZAZTESA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)s1 ZINC001491883709 1330288333 /nfs/dbraw/zinc/28/83/33/1330288333.db2.gz WMJHEVPGMXXLTD-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP CCCCC[NH2+][C@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001491892569 1330292358 /nfs/dbraw/zinc/29/23/58/1330292358.db2.gz WAVCQOZHVOYVJI-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)C1 ZINC001491947287 1330338554 /nfs/dbraw/zinc/33/85/54/1330338554.db2.gz TUXHUKUVPYECQY-OAHLLOKOSA-N 2 0 338.883 2.110 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001492067498 1330440425 /nfs/dbraw/zinc/44/04/25/1330440425.db2.gz IIJWCMYJHMVHTA-CYBMUJFWSA-N 2 0 336.480 2.150 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC001492178768 1331057918 /nfs/dbraw/zinc/05/79/18/1331057918.db2.gz RCBIVZOMCCYCKR-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCCCc2ccccc2)CC[N@@H+]1C ZINC001492256436 1331117286 /nfs/dbraw/zinc/11/72/86/1331117286.db2.gz DZUOLPAKDMBSFW-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)cc1F ZINC001316845808 1331931003 /nfs/dbraw/zinc/93/10/03/1331931003.db2.gz PYJKTBQMYYWGJV-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCOC1CCC1 ZINC001316881853 1331948252 /nfs/dbraw/zinc/94/82/52/1331948252.db2.gz WQRAWVMMTLUNKI-AEFFLSMTSA-N 2 0 339.524 2.255 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCCc3ccccc3)C2)C1 ZINC001316993660 1332035026 /nfs/dbraw/zinc/03/50/26/1332035026.db2.gz PWCGQJOBWDAHPW-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cccc3cccnc32)C1 ZINC001317625555 1332334553 /nfs/dbraw/zinc/33/45/53/1332334553.db2.gz GOWHVLOAKVBWTF-INIZCTEOSA-N 2 0 340.471 2.125 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C(C)C)s1 ZINC001317709451 1332382839 /nfs/dbraw/zinc/38/28/39/1332382839.db2.gz YMWKOMLRHZXKCF-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317971245 1332454777 /nfs/dbraw/zinc/45/47/77/1332454777.db2.gz ZEHFUGYPYFAMQH-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]CC1(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCCC1 ZINC001318646861 1332572307 /nfs/dbraw/zinc/57/23/07/1332572307.db2.gz QOSLHQXRSMDEKA-UHFFFAOYSA-N 2 0 327.432 2.310 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001318860755 1332613343 /nfs/dbraw/zinc/61/33/43/1332613343.db2.gz ONWIAOJDCDVRFE-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](C(=O)N1CCC(CC[NH2+]CCF)CC1)[NH+]1CCCCCC1 ZINC001318917072 1332623700 /nfs/dbraw/zinc/62/37/00/1332623700.db2.gz JGXGOTSLQYGHST-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001319478858 1332709828 /nfs/dbraw/zinc/70/98/28/1332709828.db2.gz WNMGZWJCZGESSS-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001319710315 1332747827 /nfs/dbraw/zinc/74/78/27/1332747827.db2.gz LVEFVYGKYGVOBS-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001319770815 1332763903 /nfs/dbraw/zinc/76/39/03/1332763903.db2.gz VVKNYHGXSGYEQR-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414266 1332878183 /nfs/dbraw/zinc/87/81/83/1332878183.db2.gz DCOQGUANUJSFCB-AWEZNQCLSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067694 1333010507 /nfs/dbraw/zinc/01/05/07/1333010507.db2.gz XMAXEGDRWLOJST-INUTWKSMSA-N 2 0 333.451 2.489 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C/C[NH2+]Cc1ccccn1 ZINC001321082846 1333013976 /nfs/dbraw/zinc/01/39/76/1333013976.db2.gz LJEQPIDZHACCBL-AATRIKPKSA-N 2 0 344.484 2.281 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001321211948 1333046117 /nfs/dbraw/zinc/04/61/17/1333046117.db2.gz VBIPJRDFTGJJTH-ABCZVMIZSA-N 2 0 343.462 2.416 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321652963 1333138553 /nfs/dbraw/zinc/13/85/53/1333138553.db2.gz SHTBAOKEZWGHBZ-MAUKXSAKSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322087244 1333207180 /nfs/dbraw/zinc/20/71/80/1333207180.db2.gz GJHIKOXQTSBJQY-MAUKXSAKSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001324817416 1333766351 /nfs/dbraw/zinc/76/63/51/1333766351.db2.gz IEBAIBZSMITPTM-VQIMIIECSA-N 2 0 347.507 2.098 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC001326304644 1334064488 /nfs/dbraw/zinc/06/44/88/1334064488.db2.gz PZHQGKRUVQMOCC-GOEBONIOSA-N 2 0 348.491 2.220 10 0 EEAERP COCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001326521699 1334109317 /nfs/dbraw/zinc/10/93/17/1334109317.db2.gz NQUHIAPOEKLTMA-BRSBDYLESA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@](CO)([NH2+]CCCC(C)(C)C)C1 ZINC001327580373 1334317893 /nfs/dbraw/zinc/31/78/93/1334317893.db2.gz HHONZGJOILVCIP-IBGZPJMESA-N 2 0 341.540 2.098 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001328643801 1334492841 /nfs/dbraw/zinc/49/28/41/1334492841.db2.gz JEUCXEWUBZMRRX-BZSNNMDCSA-N 2 0 339.524 2.257 10 0 EEAERP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329875316 1334731252 /nfs/dbraw/zinc/73/12/52/1334731252.db2.gz IEWQABLRWVQLML-COXDATCZSA-N 2 0 327.900 2.345 10 0 EEAERP COCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001330055566 1334770511 /nfs/dbraw/zinc/77/05/11/1334770511.db2.gz VAGZQBTVLNGPFX-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)co1 ZINC001330946206 1334932420 /nfs/dbraw/zinc/93/24/20/1334932420.db2.gz LGHWCYFNMJPXTL-HNNXBMFYSA-N 2 0 336.480 2.089 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cc(C)no1 ZINC001330986479 1334941287 /nfs/dbraw/zinc/94/12/87/1334941287.db2.gz DEJRNUGYFIVMNR-WMLDXEAASA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CCCCCF)CC2)C1 ZINC001331054524 1334954403 /nfs/dbraw/zinc/95/44/03/1334954403.db2.gz SKZIGGWKEWHPDS-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001332049908 1335714117 /nfs/dbraw/zinc/71/41/17/1335714117.db2.gz OAKLINYXHNECIE-PBHICJAKSA-N 2 0 325.472 2.047 10 0 EEAERP Cc1c(C(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)ccc2c[nH+]cn21 ZINC001332396703 1335817305 /nfs/dbraw/zinc/81/73/05/1335817305.db2.gz FKWFPMPCPPGQBR-INIZCTEOSA-N 2 0 332.423 2.443 10 0 EEAERP COCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001333108408 1335964061 /nfs/dbraw/zinc/96/40/61/1335964061.db2.gz QFEQAYZINHNBFW-VYMRPNJYSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001333131786 1335968132 /nfs/dbraw/zinc/96/81/32/1335968132.db2.gz ZXSICWWLLGTNJP-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2scnc2C)CC1)[NH+](C)C ZINC001333405250 1336036709 /nfs/dbraw/zinc/03/67/09/1336036709.db2.gz GIKDIEXSMUTBCN-HNNXBMFYSA-N 2 0 336.505 2.040 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC001333433172 1336046047 /nfs/dbraw/zinc/04/60/47/1336046047.db2.gz KBNHNVJZMKPDBO-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479679629 1337338743 /nfs/dbraw/zinc/33/87/43/1337338743.db2.gz PSGWTLCIQKQWDX-KRWDZBQOSA-N 2 0 327.513 2.066 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc2ccccc2n1 ZINC000849074041 1338835620 /nfs/dbraw/zinc/83/56/20/1338835620.db2.gz ZLQUBIQOQGXXMX-KRWDZBQOSA-N 2 0 325.460 2.376 10 0 EEAERP CCN(CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)CC(F)(F)F ZINC001414017261 1339120091 /nfs/dbraw/zinc/12/00/91/1339120091.db2.gz MVQPRHAKMGKACC-OAHLLOKOSA-N 2 0 339.446 2.303 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC001428044727 1339405670 /nfs/dbraw/zinc/40/56/70/1339405670.db2.gz JXSQGNDEWMDAMU-SCTDSRPQSA-N 2 0 344.503 2.385 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001436354600 1342047924 /nfs/dbraw/zinc/04/79/24/1342047924.db2.gz RYOVAWASTARQSP-QGTPRVQTSA-N 2 0 348.466 2.080 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1nc(C)oc1C)C2 ZINC001446929201 1342081676 /nfs/dbraw/zinc/08/16/76/1342081676.db2.gz ZRWQLDPIUHZIJG-ULQDDVLXSA-N 2 0 348.491 2.102 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CC/C=C\c2ccccc2)C1 ZINC001499119840 1342108098 /nfs/dbraw/zinc/10/80/98/1342108098.db2.gz IPDRVQGRSORUSN-CIJAKILZSA-N 2 0 327.472 2.232 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001670309230 1356316438 /nfs/dbraw/zinc/31/64/38/1356316438.db2.gz WXPZQAVINLEMTG-UHFFFAOYSA-N 2 0 344.503 2.142 10 0 EEAERP C[C@@]1(C[NH2+]CCc2cccs2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001671810095 1356419638 /nfs/dbraw/zinc/41/96/38/1356419638.db2.gz NPYDHOVJGDXOKR-SFHVURJKSA-N 2 0 335.517 2.215 10 0 EEAERP O=C(NCCC[N@H+](Cc1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001566600972 1342573779 /nfs/dbraw/zinc/57/37/79/1342573779.db2.gz SEZHWYOCKZSYEE-UHFFFAOYSA-N 2 0 327.472 2.253 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](C[NH2+]CCCCCF)C1 ZINC001566893706 1342647742 /nfs/dbraw/zinc/64/77/42/1342647742.db2.gz MZNYCXQWXXOHAO-WMZOPIPTSA-N 2 0 339.499 2.296 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001566928895 1342654409 /nfs/dbraw/zinc/65/44/09/1342654409.db2.gz OWRRWNDBXFGMEB-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001566940355 1342655665 /nfs/dbraw/zinc/65/56/65/1342655665.db2.gz FSNFPUHWKUZKIF-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](CCCCCF)C1 ZINC001566966680 1342667638 /nfs/dbraw/zinc/66/76/38/1342667638.db2.gz YEFKSZOJWDYCME-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567017187 1342679336 /nfs/dbraw/zinc/67/93/36/1342679336.db2.gz VOYQJOFGQREYQM-DZGCQCFKSA-N 2 0 338.883 2.202 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001567051080 1342686599 /nfs/dbraw/zinc/68/65/99/1342686599.db2.gz NFVAPKFRYPQNDP-QGZVFWFLSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C[NH+]2CCCC2)o1 ZINC001567267792 1342728965 /nfs/dbraw/zinc/72/89/65/1342728965.db2.gz YJEOIZHGLWPLSB-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP Cc1cccnc1C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001567381790 1342749535 /nfs/dbraw/zinc/74/95/35/1342749535.db2.gz ATXCHSSERGUMJU-KRWDZBQOSA-N 2 0 332.492 2.203 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001567507742 1342775145 /nfs/dbraw/zinc/77/51/45/1342775145.db2.gz JHHYLXODPAMHCL-MRXNPFEDSA-N 2 0 343.462 2.487 10 0 EEAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001567624354 1342795770 /nfs/dbraw/zinc/79/57/70/1342795770.db2.gz GAYBDPIFJLLTJV-MRXNPFEDSA-N 2 0 349.523 2.075 10 0 EEAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568775846 1342853933 /nfs/dbraw/zinc/85/39/33/1342853933.db2.gz NQTAUGNWJSWQDT-WMLDXEAASA-N 2 0 333.467 2.385 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001570019213 1343001456 /nfs/dbraw/zinc/00/14/56/1343001456.db2.gz OXWIVYCZLPDISC-RTBURBONSA-N 2 0 329.488 2.275 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001570393943 1343064217 /nfs/dbraw/zinc/06/42/17/1343064217.db2.gz SQRKBDROLPXCKY-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC001570630933 1343095056 /nfs/dbraw/zinc/09/50/56/1343095056.db2.gz NRZITEUYFQLFJK-HZPDHXFCSA-N 2 0 339.524 2.018 10 0 EEAERP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001570905238 1343137797 /nfs/dbraw/zinc/13/77/97/1343137797.db2.gz PVGWMPWPQYDTIE-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001571549118 1343234841 /nfs/dbraw/zinc/23/48/41/1343234841.db2.gz XSVFWHLSDAWJCF-RBUKOAKNSA-N 2 0 341.499 2.199 10 0 EEAERP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001645633712 1352793362 /nfs/dbraw/zinc/79/33/62/1352793362.db2.gz ZODSOFWDKYROHL-SJORKVTESA-N 2 0 336.455 2.210 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])nc2)CC1 ZINC001647247052 1353205974 /nfs/dbraw/zinc/20/59/74/1353205974.db2.gz AAGDSOWXJCCVBX-DLBZAZTESA-N 2 0 345.491 2.068 10 0 EEAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001649433885 1353501533 /nfs/dbraw/zinc/50/15/33/1353501533.db2.gz NRBSZIXFXBKQBG-ITVKQWQRSA-N 2 0 333.520 2.465 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCOCC1 ZINC001649470320 1353523266 /nfs/dbraw/zinc/52/32/66/1353523266.db2.gz ISOMUCHZDYPLGL-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP c1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H]4CC5(C[NH2+]C5)CO4)C3)nc2c1 ZINC001650034504 1353695745 /nfs/dbraw/zinc/69/57/45/1353695745.db2.gz FVINHBNKSBKWOF-HUUCEWRRSA-N 2 0 326.444 2.121 10 0 EEAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001656908015 1354297940 /nfs/dbraw/zinc/29/79/40/1354297940.db2.gz AGVAVRXOGUQGFF-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001657086799 1354320596 /nfs/dbraw/zinc/32/05/96/1354320596.db2.gz NODTXGITAJAIRQ-UHFFFAOYSA-N 2 0 348.516 2.156 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cn1 ZINC001660162597 1354407837 /nfs/dbraw/zinc/40/78/37/1354407837.db2.gz QHEWWEUOCPNRAA-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cnccn1 ZINC001660203075 1354416253 /nfs/dbraw/zinc/41/62/53/1354416253.db2.gz GYOKNFNNENWYSI-SJLPKXTDSA-N 2 0 347.507 2.096 10 0 EEAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cncc(F)c1 ZINC001660253290 1354426707 /nfs/dbraw/zinc/42/67/07/1354426707.db2.gz IAEOJTJUVQDKIL-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1ccncc1C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001660686165 1354516458 /nfs/dbraw/zinc/51/64/58/1354516458.db2.gz ZCURCOIYJXGKGI-VQIMIIECSA-N 2 0 344.503 2.201 10 0 EEAERP Cc1ccccc1OCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001660971187 1354566814 /nfs/dbraw/zinc/56/68/14/1354566814.db2.gz QTDZHQFNPQWSOG-ROUUACIJSA-N 2 0 345.487 2.049 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001661201480 1354604508 /nfs/dbraw/zinc/60/45/08/1354604508.db2.gz BTLIVYACHXYVOK-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001661942084 1354726135 /nfs/dbraw/zinc/72/61/35/1354726135.db2.gz AQPLXKZWTQCJIR-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001661968531 1354730130 /nfs/dbraw/zinc/73/01/30/1354730130.db2.gz QTOLLSJQFFHZJP-QWHCGFSZSA-N 2 0 334.291 2.228 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001662733925 1354834431 /nfs/dbraw/zinc/83/44/31/1354834431.db2.gz YFMLOVWUUAHAKV-CDVVCGDMSA-N 2 0 327.900 2.443 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001663000490 1354886612 /nfs/dbraw/zinc/88/66/12/1354886612.db2.gz GVAZKBGGVRWUQW-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@H]1CC1(Cl)Cl ZINC001663443113 1354962343 /nfs/dbraw/zinc/96/23/43/1354962343.db2.gz NRNMBICAKNZPFZ-ZDUSSCGKSA-N 2 0 348.318 2.104 10 0 EEAERP CN(CC[NH2+]C/C=C\c1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664369885 1355148559 /nfs/dbraw/zinc/14/85/59/1355148559.db2.gz OISFOSCGJKHQAY-QGZUEGPWSA-N 2 0 335.879 2.353 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCc3cccs3)CCCC2)C1 ZINC001665963682 1355416728 /nfs/dbraw/zinc/41/67/28/1355416728.db2.gz CORKCZHWAYKWGX-HNNXBMFYSA-N 2 0 335.517 2.261 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001666241048 1355492777 /nfs/dbraw/zinc/49/27/77/1355492777.db2.gz YYUXVVPKWGWXTL-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ns1 ZINC001668083304 1355865339 /nfs/dbraw/zinc/86/53/39/1355865339.db2.gz XUXVUMHEVLUDRW-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116928 1355875056 /nfs/dbraw/zinc/87/50/56/1355875056.db2.gz BNVZZDSOHIYKHX-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668118025 1355876338 /nfs/dbraw/zinc/87/63/38/1355876338.db2.gz PPRBCSUQBMCOPO-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001668280054 1355914852 /nfs/dbraw/zinc/91/48/52/1355914852.db2.gz YWNGRURBVOPZJF-TZMCWYRMSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668828500 1356014880 /nfs/dbraw/zinc/01/48/80/1356014880.db2.gz PYBHGBPVTJVDCQ-PXPVJAHISA-N 2 0 327.472 2.099 10 0 EEAERP O=C(NC/C=C\C[NH2+]C/C=C/c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828020 1356015153 /nfs/dbraw/zinc/01/51/53/1356015153.db2.gz MZOZFZWVZQMPEB-UBTJTXKYSA-N 2 0 339.483 2.304 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001669020895 1356070135 /nfs/dbraw/zinc/07/01/35/1356070135.db2.gz LGOAFLQUORHFIJ-IHVVCDCBSA-N 2 0 325.403 2.240 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001669139332 1356104733 /nfs/dbraw/zinc/10/47/33/1356104733.db2.gz NFNPBGHWUWSRCA-MSIWKICXSA-N 2 0 344.503 2.272 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669182233 1356118094 /nfs/dbraw/zinc/11/80/94/1356118094.db2.gz AXAVSFJYWBXMAF-MPNWYJEXSA-N 2 0 329.435 2.026 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001669595381 1356181054 /nfs/dbraw/zinc/18/10/54/1356181054.db2.gz KTAYHICWGBAEAK-QFBILLFUSA-N 2 0 347.503 2.206 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC001670271434 1356308902 /nfs/dbraw/zinc/30/89/02/1356308902.db2.gz LJLGKXUZAHKHQI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cs1 ZINC001670328152 1356321372 /nfs/dbraw/zinc/32/13/72/1356321372.db2.gz PUUFHDHPIRAHBM-SFHVURJKSA-N 2 0 335.517 2.481 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001671558980 1356362027 /nfs/dbraw/zinc/36/20/27/1356362027.db2.gz LLCOBRCTJIUVEJ-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001671868214 1356426899 /nfs/dbraw/zinc/42/68/99/1356426899.db2.gz QFJYMXSICJTCEU-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001672176635 1356473990 /nfs/dbraw/zinc/47/39/90/1356473990.db2.gz LVJDIBJUCFSNLW-ZWKOTPCHSA-N 2 0 335.467 2.450 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)co1 ZINC001672810661 1356589940 /nfs/dbraw/zinc/58/99/40/1356589940.db2.gz QFMNIWKDRKGXRS-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001672911551 1356613486 /nfs/dbraw/zinc/61/34/86/1356613486.db2.gz WHGREKFGVHQJOM-NXJJAWGPSA-N 2 0 341.499 2.480 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001672965703 1356623310 /nfs/dbraw/zinc/62/33/10/1356623310.db2.gz KJURVGMHTKIBSV-XLAORIBOSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001672994968 1356628459 /nfs/dbraw/zinc/62/84/59/1356628459.db2.gz OEDBDTKFPZRFHF-BRWVUGGUSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001673402131 1356686934 /nfs/dbraw/zinc/68/69/34/1356686934.db2.gz PERSETPVGQGKTC-QZTJIDSGSA-N 2 0 341.540 2.358 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001674792244 1356897139 /nfs/dbraw/zinc/89/71/39/1356897139.db2.gz BCFIHIDTEJIAJO-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001675517117 1356999031 /nfs/dbraw/zinc/99/90/31/1356999031.db2.gz HQIAJKWIXJBKRU-MKXGPGLRSA-N 2 0 333.520 2.203 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1[NH2+]CCCF ZINC001698901465 1405141252 /nfs/dbraw/zinc/14/12/52/1405141252.db2.gz WXWWCSVPOCSTJC-JKSUJKDBSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698913652 1405155719 /nfs/dbraw/zinc/15/57/19/1405155719.db2.gz IAVKWKUXCKGCIH-BPQIPLTHSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)cs1 ZINC001698917309 1405160184 /nfs/dbraw/zinc/16/01/84/1405160184.db2.gz IPEMPZXIDLGXJB-MRXNPFEDSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001699135750 1405285696 /nfs/dbraw/zinc/28/56/96/1405285696.db2.gz UCIUVBMNKDLVJL-SWLSCSKDSA-N 2 0 326.510 2.022 10 0 EEAERP C[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699409008 1405350089 /nfs/dbraw/zinc/35/00/89/1405350089.db2.gz QDOUJRHKKSJWMT-KRWDZBQOSA-N 2 0 345.487 2.036 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)CO2)CC[NH2+]CC1 ZINC000925773247 774596697 /nfs/dbraw/zinc/59/66/97/774596697.db2.gz AZFPBXCKBLMONB-JKSUJKDBSA-N 2 0 338.492 2.247 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3n[nH]cc32)(N2CCCCC2)CC1 ZINC000353527694 776311814 /nfs/dbraw/zinc/31/18/14/776311814.db2.gz LQSQJXGXWMVXNI-QGZVFWFLSA-N 2 0 331.508 2.327 10 0 EEAERP CC[N@H+]1CCc2nnc([C@@H]3CC[NH+](CCc4ccccc4)C3)n2CC1 ZINC000257189020 790623113 /nfs/dbraw/zinc/62/31/13/790623113.db2.gz HDIODYVNJVIAAP-GOSISDBHSA-N 2 0 339.487 2.188 10 0 EEAERP [NH3+]CCOCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000843358852 783997898 /nfs/dbraw/zinc/99/78/98/783997898.db2.gz WEZSJTRIFLDGLL-HNNXBMFYSA-N 2 0 327.266 2.431 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccc3)cn2)CC1 ZINC000818961387 785330136 /nfs/dbraw/zinc/33/01/36/785330136.db2.gz QAGXPOJOVPPPII-IBGZPJMESA-N 2 0 340.471 2.047 10 0 EEAERP O=C1OCCN1CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000709786586 786967690 /nfs/dbraw/zinc/96/76/90/786967690.db2.gz QURGGLSGBPWIBZ-CEXWTWQISA-N 2 0 343.471 2.329 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001136767525 787883869 /nfs/dbraw/zinc/88/38/69/787883869.db2.gz UDQDYIUVNODPCW-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912808226 788367735 /nfs/dbraw/zinc/36/77/35/788367735.db2.gz VTANUOARUXXVIU-QAPCUYQASA-N 2 0 332.492 2.336 10 0 EEAERP C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711277962 788585481 /nfs/dbraw/zinc/58/54/81/788585481.db2.gz CZTJYKXEBXBQRY-FUHWJXTLSA-N 2 0 329.488 2.355 10 0 EEAERP CC[NH+]1CCC(N(C)C(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000844168554 788882679 /nfs/dbraw/zinc/88/26/79/788882679.db2.gz IGKJATWUGRNHJO-OAHLLOKOSA-N 2 0 338.883 2.376 10 0 EEAERP CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288462 788987958 /nfs/dbraw/zinc/98/79/58/788987958.db2.gz UCJSRWAVUBSFHX-SJLPKXTDSA-N 2 0 335.492 2.414 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000923190748 789093614 /nfs/dbraw/zinc/09/36/14/789093614.db2.gz RCGDNFPUOOFIQU-DLBZAZTESA-N 2 0 347.507 2.246 10 0 EEAERP c1ccc(C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC2CCOCC2)cc1 ZINC000923313698 789353151 /nfs/dbraw/zinc/35/31/51/789353151.db2.gz WSEHNOAULSGDTE-IBGZPJMESA-N 2 0 330.472 2.294 10 0 EEAERP Clc1ccc(C2([NH2+]C[C@H]3CC4(C[NH2+]C4)CO3)CCOCC2)cc1 ZINC000923319645 789364760 /nfs/dbraw/zinc/36/47/60/789364760.db2.gz YEXOHKJSGYWANT-MRXNPFEDSA-N 2 0 336.863 2.314 10 0 EEAERP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923502861 789668537 /nfs/dbraw/zinc/66/85/37/789668537.db2.gz DGKWCVBHHHILME-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1OCC ZINC000923505282 789689952 /nfs/dbraw/zinc/68/99/52/789689952.db2.gz ZVPLXAAFBQTALG-GJZGRUSLSA-N 2 0 349.475 2.339 10 0 EEAERP CN1CC[NH+](CCCOc2ccc(NC3CC[NH+](C)CC3)cc2)CC1 ZINC000846050632 790038096 /nfs/dbraw/zinc/03/80/96/790038096.db2.gz PZUOFSGTKBZTFH-UHFFFAOYSA-N 2 0 346.519 2.209 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000914018408 794744750 /nfs/dbraw/zinc/74/47/50/794744750.db2.gz JLRQKORIAKHIME-LPHOPBHVSA-N 2 0 344.503 2.351 10 0 EEAERP COC(=O)[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccccc1 ZINC000903930294 796155765 /nfs/dbraw/zinc/15/57/65/796155765.db2.gz WNVMJLJVTNUDJU-MSEHENTLSA-N 2 0 328.456 2.406 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921848114 797202748 /nfs/dbraw/zinc/20/27/48/797202748.db2.gz GLFVBQYXSNJZOL-QFHJOOASSA-N 2 0 344.503 2.289 10 0 EEAERP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nnn1Cc1cccnc1 ZINC001177679573 799071459 /nfs/dbraw/zinc/07/14/59/799071459.db2.gz TYKRTXBHBUVNJQ-UHFFFAOYSA-N 2 0 342.491 2.467 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001436400719 1087748621 /nfs/dbraw/zinc/74/86/21/1087748621.db2.gz QBLQMKXKFUNXCE-SHTZXODSSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1)[NH+]1CCCCCC1 ZINC001436423616 1087788303 /nfs/dbraw/zinc/78/83/03/1087788303.db2.gz SRQNNGSNGZDNOC-YESZJQIVSA-N 2 0 348.491 2.314 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc3ncccc3c2)C1 ZINC001436743273 1088226879 /nfs/dbraw/zinc/22/68/79/1088226879.db2.gz CQPGZOGZUMPABK-GOSISDBHSA-N 2 0 340.471 2.266 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cccc(F)c1Cl)C1CC1 ZINC001436821098 1088415125 /nfs/dbraw/zinc/41/51/25/1088415125.db2.gz OFNNJCZRSSJGTQ-HNNXBMFYSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436902608 1088556817 /nfs/dbraw/zinc/55/68/17/1088556817.db2.gz NZHBZEJBKYSCPL-BZUAXINKSA-N 2 0 348.491 2.409 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437012420 1088790982 /nfs/dbraw/zinc/79/09/82/1088790982.db2.gz NXPVQALFGDNRDI-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001437183621 1089220622 /nfs/dbraw/zinc/22/06/22/1089220622.db2.gz FFHSMAGFSKFQST-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437189116 1089230874 /nfs/dbraw/zinc/23/08/74/1089230874.db2.gz RDCIUDUGKBSWRP-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001437232993 1089329748 /nfs/dbraw/zinc/32/97/48/1089329748.db2.gz CFBDKTLKAZAJKG-WMLDXEAASA-N 2 0 333.451 2.467 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001437312092 1089470019 /nfs/dbraw/zinc/47/00/19/1089470019.db2.gz QMCMXIJOUDBZLE-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001437325244 1089492873 /nfs/dbraw/zinc/49/28/73/1089492873.db2.gz QMOAVUXQEKWAGB-LSDHHAIUSA-N 2 0 338.521 2.309 10 0 EEAERP CCc1ccccc1CC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001438163811 1090676628 /nfs/dbraw/zinc/67/66/28/1090676628.db2.gz ZTRPUBKNZISORD-UHFFFAOYSA-N 2 0 331.504 2.180 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001438185612 1090688784 /nfs/dbraw/zinc/68/87/84/1090688784.db2.gz OZXMIPKAFDQFGR-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001438236887 1090717296 /nfs/dbraw/zinc/71/72/96/1090717296.db2.gz DMLPRUNGNZOCOH-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001438380143 1090863426 /nfs/dbraw/zinc/86/34/26/1090863426.db2.gz VRIOOUQSBLFQCN-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001438463256 1090971029 /nfs/dbraw/zinc/97/10/29/1090971029.db2.gz ACEZFWLKWCSIFW-MRXNPFEDSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001445447970 1091210557 /nfs/dbraw/zinc/21/05/57/1091210557.db2.gz QBKYRQAHTGGXEH-UKRRQHHQSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438720472 1091246236 /nfs/dbraw/zinc/24/62/36/1091246236.db2.gz JKIKZPUTRVXYHD-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438735568 1091282518 /nfs/dbraw/zinc/28/25/18/1091282518.db2.gz ZGLXNBBYPNKZJT-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC001438762836 1091334359 /nfs/dbraw/zinc/33/43/59/1091334359.db2.gz BXPOZFSVNYNAAI-CJNGLKHVSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(C)s1 ZINC001438787530 1091386745 /nfs/dbraw/zinc/38/67/45/1091386745.db2.gz CEKNJQPNMRBFFT-HOCLYGCPSA-N 2 0 338.521 2.085 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC(F)(F)C1 ZINC001438813473 1091431593 /nfs/dbraw/zinc/43/15/93/1091431593.db2.gz QCZWKJKPTYMNKR-BPLDGKMQSA-N 2 0 331.451 2.102 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438956919 1091649356 /nfs/dbraw/zinc/64/93/56/1091649356.db2.gz FMKXYGGZPIFWGX-GJZGRUSLSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439139404 1091783394 /nfs/dbraw/zinc/78/33/94/1091783394.db2.gz OTHLYBUMOYCSTD-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445865571 1091786466 /nfs/dbraw/zinc/78/64/66/1091786466.db2.gz GNMFTBTVKXEFSJ-HOCLYGCPSA-N 2 0 337.895 2.271 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)C1CC[NH+](C)CC1 ZINC001439362012 1092082370 /nfs/dbraw/zinc/08/23/70/1092082370.db2.gz IFYMJZDYURVXJB-HNNXBMFYSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@H](C[N@H+](C)CCCc1ccccc1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439371512 1092106331 /nfs/dbraw/zinc/10/63/31/1092106331.db2.gz YZLQYVBUHZRYNF-QZTJIDSGSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001439378596 1092120014 /nfs/dbraw/zinc/12/00/14/1092120014.db2.gz LLZHEWJKYFPORX-DLBZAZTESA-N 2 0 327.513 2.111 10 0 EEAERP Cc1ccccc1OCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439404619 1092163326 /nfs/dbraw/zinc/16/33/26/1092163326.db2.gz UOEKYRIRDZLNMJ-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001439458164 1092234665 /nfs/dbraw/zinc/23/46/65/1092234665.db2.gz HEUPURSDSRAJDI-MOPGFXCFSA-N 2 0 345.462 2.152 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001439461815 1092242212 /nfs/dbraw/zinc/24/22/12/1092242212.db2.gz HLUBMKARZJGGID-HZPDHXFCSA-N 2 0 343.462 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]Cc2ocnc2C)C2CC2)C1 ZINC001439475061 1092271380 /nfs/dbraw/zinc/27/13/80/1092271380.db2.gz VDNOMMQGCZAIAD-DLBZAZTESA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1ccc(F)cc1 ZINC001439490581 1092311156 /nfs/dbraw/zinc/31/11/56/1092311156.db2.gz DMRHMHYNBRITHE-KDOFPFPSSA-N 2 0 333.451 2.467 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001439498011 1092331000 /nfs/dbraw/zinc/33/10/00/1092331000.db2.gz RBKWRPISLTYFGZ-GDBMZVCRSA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001439755510 1092714089 /nfs/dbraw/zinc/71/40/89/1092714089.db2.gz AKFLGVPSZNEROS-UHFFFAOYSA-N 2 0 328.460 2.151 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)s1 ZINC001439765135 1092723738 /nfs/dbraw/zinc/72/37/38/1092723738.db2.gz PWJTYRNAUNOQPC-HIFRSBDPSA-N 2 0 338.521 2.261 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001439854840 1092876507 /nfs/dbraw/zinc/87/65/07/1092876507.db2.gz SMIJMSDDPCJOKC-DYESRHJHSA-N 2 0 343.515 2.324 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001439854850 1092876764 /nfs/dbraw/zinc/87/67/64/1092876764.db2.gz SMIJMSDDPCJOKC-UWJYYQICSA-N 2 0 343.515 2.324 10 0 EEAERP COc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001439888227 1092943835 /nfs/dbraw/zinc/94/38/35/1092943835.db2.gz NWMSYZPJMALKPP-AZUAARDMSA-N 2 0 345.487 2.118 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2C1 ZINC001448464578 1093474486 /nfs/dbraw/zinc/47/44/86/1093474486.db2.gz AIMMNFLTVWQHQM-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCC4CC4)C[C@@H]3C2)CCC1 ZINC001448467134 1093478811 /nfs/dbraw/zinc/47/88/11/1093478811.db2.gz UOLYWLMNQHFLLK-OKZBNKHCSA-N 2 0 333.520 2.488 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)CC1)[NH+](C)C ZINC001440398038 1093579954 /nfs/dbraw/zinc/57/99/54/1093579954.db2.gz WZSVBEUXKHRYKO-IAGOWNOFSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c(C)n1 ZINC001440467369 1093692199 /nfs/dbraw/zinc/69/21/99/1093692199.db2.gz JLLKSTNPQBIZOQ-SFHVURJKSA-N 2 0 346.519 2.321 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001440489558 1093723942 /nfs/dbraw/zinc/72/39/42/1093723942.db2.gz MMKBELJTOSCWKL-ZACQAIPSSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1cc(CN[C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC001448705909 1093771331 /nfs/dbraw/zinc/77/13/31/1093771331.db2.gz UVKPYJIAMXABAH-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001440600802 1093865286 /nfs/dbraw/zinc/86/52/86/1093865286.db2.gz HLYSCOHMLGLUKL-UHFFFAOYSA-N 2 0 335.467 2.345 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001440734868 1093983357 /nfs/dbraw/zinc/98/33/57/1093983357.db2.gz LOXJWESUNZVJSF-KGLIPLIRSA-N 2 0 335.414 2.203 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001449031639 1094042127 /nfs/dbraw/zinc/04/21/27/1094042127.db2.gz FDZIKOBQDSIHTL-GUDVDZBRSA-N 2 0 344.503 2.058 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1sccc1Cl ZINC001440828727 1094080470 /nfs/dbraw/zinc/08/04/70/1094080470.db2.gz CNPLEJRSSILFHU-NWDGAFQWSA-N 2 0 341.908 2.480 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001440890798 1094148920 /nfs/dbraw/zinc/14/89/20/1094148920.db2.gz VMGMTLDTIMSADN-OAHLLOKOSA-N 2 0 338.496 2.458 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCc1c(F)cccc1F ZINC001440907994 1094162492 /nfs/dbraw/zinc/16/24/92/1094162492.db2.gz DRFXDBNNVKIBRK-GUYCJALGSA-N 2 0 339.430 2.038 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001441128144 1094454619 /nfs/dbraw/zinc/45/46/19/1094454619.db2.gz JTEZOAIOQJNGDM-LSDHHAIUSA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC001441208720 1094571715 /nfs/dbraw/zinc/57/17/15/1094571715.db2.gz VFZSOUAISZWCFW-RBUKOAKNSA-N 2 0 344.503 2.249 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2F)CC1(C)C ZINC001441254662 1094652391 /nfs/dbraw/zinc/65/23/91/1094652391.db2.gz MTSFZZKDKFUMQD-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2ncccc2C)CC1(C)C ZINC001441257440 1094655992 /nfs/dbraw/zinc/65/59/92/1094655992.db2.gz HLYJJJDNRSYHPQ-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(C)ccc3F)C[C@H]21 ZINC001441297303 1094738270 /nfs/dbraw/zinc/73/82/70/1094738270.db2.gz OWHBMFJEIOCBQO-NNZMDNLPSA-N 2 0 347.478 2.270 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001441328864 1094788783 /nfs/dbraw/zinc/78/87/83/1094788783.db2.gz JPZWZNCQZZKZGS-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001441507462 1095194958 /nfs/dbraw/zinc/19/49/58/1095194958.db2.gz SIPSBDLAKTVRHQ-BFQNTYOBSA-N 2 0 337.414 2.141 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC001441557632 1095302013 /nfs/dbraw/zinc/30/20/13/1095302013.db2.gz WLUIUVFHZGLVJL-RTBURBONSA-N 2 0 344.503 2.284 10 0 EEAERP CCCOc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001441827010 1095875482 /nfs/dbraw/zinc/87/54/82/1095875482.db2.gz OVMZWYVHKWWOQR-GPMSIDNRSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001441837294 1095905940 /nfs/dbraw/zinc/90/59/40/1095905940.db2.gz NDNHOELBVPVKET-DOMZBBRYSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC001441851460 1095938265 /nfs/dbraw/zinc/93/82/65/1095938265.db2.gz CNZFOQSUUPAKAX-MAUKXSAKSA-N 2 0 349.523 2.241 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001441890107 1096027720 /nfs/dbraw/zinc/02/77/20/1096027720.db2.gz ZQNKNHALAKGDAB-KBAYOESNSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001441927593 1096114420 /nfs/dbraw/zinc/11/44/20/1096114420.db2.gz FLMGJVPNLUKMED-ZIAGYGMSSA-N 2 0 337.430 2.209 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001442203098 1096486578 /nfs/dbraw/zinc/48/65/78/1096486578.db2.gz VGQJFYHKYQLNKO-HZPDHXFCSA-N 2 0 325.472 2.286 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001442216525 1096509959 /nfs/dbraw/zinc/50/99/59/1096509959.db2.gz RHKLMWVESDYSMG-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP CCc1ccc(CC[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001442243703 1096544342 /nfs/dbraw/zinc/54/43/42/1096544342.db2.gz PZDRFFTYGKVISP-APWZRJJASA-N 2 0 331.504 2.370 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](CC4CCC4)CC3)CC2)C1 ZINC001442274074 1096581120 /nfs/dbraw/zinc/58/11/20/1096581120.db2.gz BMBYYACJETXMMH-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442616279 1096986699 /nfs/dbraw/zinc/98/66/99/1096986699.db2.gz ZYEPFLZIHJKNBZ-WMLDXEAASA-N 2 0 335.879 2.327 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1)[NH+](C)C ZINC001442862868 1097256271 /nfs/dbraw/zinc/25/62/71/1097256271.db2.gz KPESNNQIQHUJNZ-ZWKOTPCHSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001442909462 1097315955 /nfs/dbraw/zinc/31/59/55/1097315955.db2.gz UYUWXRLXDSBVFD-ROUUACIJSA-N 2 0 347.478 2.414 10 0 EEAERP CCCN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1conc1C ZINC001442961715 1097383080 /nfs/dbraw/zinc/38/30/80/1097383080.db2.gz ZWMPFPAVIQSUNQ-QZTJIDSGSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001443097152 1097511772 /nfs/dbraw/zinc/51/17/72/1097511772.db2.gz HHTDEKHZWHNWAR-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001443203716 1097653664 /nfs/dbraw/zinc/65/36/64/1097653664.db2.gz YNTNNDKJHGCNQU-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CCC(C)C ZINC001443969280 1098487194 /nfs/dbraw/zinc/48/71/94/1098487194.db2.gz RLPPMDJYROCMPP-HNNXBMFYSA-N 2 0 329.448 2.411 10 0 EEAERP Cc1oncc1C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001479500156 1098566772 /nfs/dbraw/zinc/56/67/72/1098566772.db2.gz DDPNHAVYJRSLJW-HNNXBMFYSA-N 2 0 348.491 2.138 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ncccc1C ZINC001444047595 1098572290 /nfs/dbraw/zinc/57/22/90/1098572290.db2.gz WQKAQIQJONRLIS-AEFFLSMTSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522132 1098589353 /nfs/dbraw/zinc/58/93/53/1098589353.db2.gz KIBPXZKUQLESQW-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001479639492 1098668488 /nfs/dbraw/zinc/66/84/88/1098668488.db2.gz CLSIDKCVRZGDJJ-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)CC2)c(C)o1 ZINC001444168375 1098719479 /nfs/dbraw/zinc/71/94/79/1098719479.db2.gz MZDHNRHADJWKHB-WKILWMFISA-N 2 0 348.491 2.293 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)Cc1ccccn1 ZINC001479739935 1098857370 /nfs/dbraw/zinc/85/73/70/1098857370.db2.gz RIMFIVGEWWYRAD-SFHVURJKSA-N 2 0 332.492 2.235 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001479757126 1098910793 /nfs/dbraw/zinc/91/07/93/1098910793.db2.gz JOSVOMVSXXCMHI-APWZRJJASA-N 2 0 344.503 2.060 10 0 EEAERP Cc1oncc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001479772718 1098946280 /nfs/dbraw/zinc/94/62/80/1098946280.db2.gz VNPSGKOCXZFTNO-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001444384167 1098969353 /nfs/dbraw/zinc/96/93/53/1098969353.db2.gz KAYDYNVAOSUGBP-RYRKJORJSA-N 2 0 347.503 2.267 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cnccc1C ZINC001479856026 1099159609 /nfs/dbraw/zinc/15/96/09/1099159609.db2.gz KKMVUMYOGZGDPW-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1C ZINC001444617762 1099444402 /nfs/dbraw/zinc/44/44/02/1099444402.db2.gz ICDPWMHVMDIJHZ-QAPCUYQASA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444669926 1099510667 /nfs/dbraw/zinc/51/06/67/1099510667.db2.gz SBLUAYKFCNGNNI-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)(C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1)[NH+]1CCCC1 ZINC001480038103 1099535449 /nfs/dbraw/zinc/53/54/49/1099535449.db2.gz BDBUEAVEIDYZIH-QGZVFWFLSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480078681 1099623027 /nfs/dbraw/zinc/62/30/27/1099623027.db2.gz MONOSTLKSUGSCH-CVEARBPZSA-N 2 0 327.488 2.389 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001480318904 1100057945 /nfs/dbraw/zinc/05/79/45/1100057945.db2.gz GHELBZLOYJTSDA-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001480350837 1100120766 /nfs/dbraw/zinc/12/07/66/1100120766.db2.gz DDBZIBRYJGYMKJ-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001480547487 1100383007 /nfs/dbraw/zinc/38/30/07/1100383007.db2.gz AWNIMGBBEJKIPH-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1Cl ZINC001480589773 1100439069 /nfs/dbraw/zinc/43/90/69/1100439069.db2.gz CDGCQTZZPPMKLK-RYUDHWBXSA-N 2 0 327.831 2.025 10 0 EEAERP Cc1cccnc1C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001495209278 1100892608 /nfs/dbraw/zinc/89/26/08/1100892608.db2.gz KLZMZZUTOVKNEG-UHFFFAOYSA-N 2 0 330.476 2.004 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCCC[C@H]1CC[NH2+]CCF ZINC001496412708 1101005055 /nfs/dbraw/zinc/00/50/55/1101005055.db2.gz CKOHEGPOFNOGHF-SFHVURJKSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446554077 1101026649 /nfs/dbraw/zinc/02/66/49/1101026649.db2.gz DVBIBGZTVGGSOT-ZWKOTPCHSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CCC[NH+](C)C)o1 ZINC001496476685 1101067747 /nfs/dbraw/zinc/06/77/47/1101067747.db2.gz BXVODGRCNYHRMR-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001495465846 1101176904 /nfs/dbraw/zinc/17/69/04/1101176904.db2.gz BPAHPQBREFEOIU-SHTZXODSSA-N 2 0 336.480 2.014 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCCCF)CC2)C1 ZINC001495474131 1101185837 /nfs/dbraw/zinc/18/58/37/1101185837.db2.gz HEZGMICJUMXDNH-BRWVUGGUSA-N 2 0 327.488 2.485 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001495535968 1101251392 /nfs/dbraw/zinc/25/13/92/1101251392.db2.gz NVAARONIIANWJO-AKDFZNLCSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001496732731 1101363755 /nfs/dbraw/zinc/36/37/55/1101363755.db2.gz ZBYGZCGXUMCIJF-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001495681872 1101429381 /nfs/dbraw/zinc/42/93/81/1101429381.db2.gz JCVZHFLVWOJLBZ-DZGCQCFKSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCc1ccccc1Cl ZINC001495783561 1101591869 /nfs/dbraw/zinc/59/18/69/1101591869.db2.gz AZKKNNYLWCFTKI-OAHLLOKOSA-N 2 0 349.906 2.320 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)CC[C@@H]21 ZINC001496862774 1101630578 /nfs/dbraw/zinc/63/05/78/1101630578.db2.gz XRFUAJGXYKKYIC-KKSLTYSGSA-N 2 0 330.476 2.471 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001447091493 1101973778 /nfs/dbraw/zinc/97/37/78/1101973778.db2.gz JNESIRLJSORMGP-BZUAXINKSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)c(C)o1 ZINC001497210175 1102131613 /nfs/dbraw/zinc/13/16/13/1102131613.db2.gz UHSCIJMGVJTCCL-AWEZNQCLSA-N 2 0 348.491 2.152 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001497331645 1102337145 /nfs/dbraw/zinc/33/71/45/1102337145.db2.gz NBUAYPNUNICWED-AWEZNQCLSA-N 2 0 331.451 2.392 10 0 EEAERP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001447372920 1102550423 /nfs/dbraw/zinc/55/04/23/1102550423.db2.gz ZZICSQCQYRLNQZ-UHFFFAOYSA-N 2 0 329.488 2.371 10 0 EEAERP CCC1([NH2+]Cc2nccs2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001447411486 1102609121 /nfs/dbraw/zinc/60/91/21/1102609121.db2.gz KDSUEDPHAPTQKV-AWEZNQCLSA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC2(C[NH2+]CC3CC3)CCOCC2)c1 ZINC001447495088 1102746854 /nfs/dbraw/zinc/74/68/54/1102746854.db2.gz JSCTWSZJHSKKEU-UHFFFAOYSA-N 2 0 345.487 2.027 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497611397 1102747742 /nfs/dbraw/zinc/74/77/42/1102747742.db2.gz JBFZMKOMQXKIIE-DSQZMVHQSA-N 2 0 327.472 2.466 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001497675526 1102882552 /nfs/dbraw/zinc/88/25/52/1102882552.db2.gz RJGYIHQPMQWLNR-ONEGZZNKSA-N 2 0 343.393 2.419 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CC=C(Cl)Cl)CC2)C1 ZINC001447573707 1102893556 /nfs/dbraw/zinc/89/35/56/1102893556.db2.gz XVNSYOAKLLSVCE-GFCCVEGCSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)s1 ZINC001497696973 1102923372 /nfs/dbraw/zinc/92/33/72/1102923372.db2.gz IPNSFOQXYJRMTM-RHINWDHMSA-N 2 0 348.516 2.230 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001447607281 1102963865 /nfs/dbraw/zinc/96/38/65/1102963865.db2.gz YIDMIPMMEQNCGX-INIZCTEOSA-N 2 0 336.480 2.040 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cccc2cccnc21 ZINC001497749177 1103018726 /nfs/dbraw/zinc/01/87/26/1103018726.db2.gz DTFCNDPANGVAGR-OWOJBTEDSA-N 2 0 338.455 2.093 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CCC2CCOCC2)CC[N@@H+]1C ZINC001447642192 1103035448 /nfs/dbraw/zinc/03/54/48/1103035448.db2.gz CZSUNJUYYXOUMK-RYQLBKOJSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001497766698 1103064598 /nfs/dbraw/zinc/06/45/98/1103064598.db2.gz VVLORYHFTSFYOC-XDXAGZTOSA-N 2 0 333.451 2.415 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494029361 1103386033 /nfs/dbraw/zinc/38/60/33/1103386033.db2.gz OINWEIBBBHJBLQ-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001447932272 1103631743 /nfs/dbraw/zinc/63/17/43/1103631743.db2.gz MHVZVNDUEWWOAA-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001494324387 1103895850 /nfs/dbraw/zinc/89/58/50/1103895850.db2.gz SNCWXPBNPXZVNL-BZSNNMDCSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001448070902 1103938025 /nfs/dbraw/zinc/93/80/25/1103938025.db2.gz UZVPIBZFDXBMMK-BLLLJJGKSA-N 2 0 327.419 2.242 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCOc1ccccc1 ZINC001448143656 1104101017 /nfs/dbraw/zinc/10/10/17/1104101017.db2.gz KQUVCUCBTVVFDC-MJGOQNOKSA-N 2 0 347.503 2.376 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCOc1ccccc1 ZINC001448143652 1104101653 /nfs/dbraw/zinc/10/16/53/1104101653.db2.gz KQUVCUCBTVVFDC-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001494632820 1104217629 /nfs/dbraw/zinc/21/76/29/1104217629.db2.gz JNRUKPSZUGOPRQ-CALCHBBNSA-N 2 0 329.488 2.150 10 0 EEAERP Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001480623219 1106783582 /nfs/dbraw/zinc/78/35/82/1106783582.db2.gz ZXSZRLNSMVYWRJ-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001498117607 1106942017 /nfs/dbraw/zinc/94/20/17/1106942017.db2.gz FYVFJPPDBKIYIC-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001480765625 1107069676 /nfs/dbraw/zinc/06/96/76/1107069676.db2.gz PSCXALJAJYKAGK-QGPMSJSTSA-N 2 0 347.503 2.328 10 0 EEAERP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001480770822 1107083267 /nfs/dbraw/zinc/08/32/67/1107083267.db2.gz ZNEWGERPLACINU-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001480773524 1107090156 /nfs/dbraw/zinc/09/01/56/1107090156.db2.gz JORXZGLBNMOYHI-QGZVFWFLSA-N 2 0 344.503 2.250 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc2conc2C)C1 ZINC001480786308 1107114942 /nfs/dbraw/zinc/11/49/42/1107114942.db2.gz MPPHBYFFBXDYEQ-ZBFHGGJFSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cscn1 ZINC001480794032 1107128061 /nfs/dbraw/zinc/12/80/61/1107128061.db2.gz USYXLPPGJCRHRO-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480822884 1107193339 /nfs/dbraw/zinc/19/33/39/1107193339.db2.gz BTKDQRBPDLVTLQ-IXDOHACOSA-N 2 0 348.491 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccon1 ZINC001480822979 1107193633 /nfs/dbraw/zinc/19/36/33/1107193633.db2.gz DRGPRYIMSKLIMJ-MSOLQXFVSA-N 2 0 348.491 2.410 10 0 EEAERP COC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001493118900 1107533523 /nfs/dbraw/zinc/53/35/23/1107533523.db2.gz IFNRVCFADWOLJJ-DOTOQJQBSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001498549101 1107702419 /nfs/dbraw/zinc/70/24/19/1107702419.db2.gz DMLYISDPGBVREQ-SFHVURJKSA-N 2 0 347.478 2.414 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c(C)o1 ZINC001498626053 1107835541 /nfs/dbraw/zinc/83/55/41/1107835541.db2.gz PJLGGMYGMKWHRA-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)no1 ZINC001498629483 1107841264 /nfs/dbraw/zinc/84/12/64/1107841264.db2.gz OIGDEEAQUBNCLU-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC1CC1 ZINC001493318877 1107922934 /nfs/dbraw/zinc/92/29/34/1107922934.db2.gz XTUXXZGLTSBGET-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(C[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)c(C)n1 ZINC001493381253 1108029596 /nfs/dbraw/zinc/02/95/96/1108029596.db2.gz CGXFLYBOKBEHPU-LJQANCHMSA-N 2 0 344.503 2.263 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC001498817705 1108159586 /nfs/dbraw/zinc/15/95/86/1108159586.db2.gz MNNZMGXJWPDCJI-MRXNPFEDSA-N 2 0 341.858 2.415 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001498819916 1108164043 /nfs/dbraw/zinc/16/40/43/1108164043.db2.gz XNEPHDGEVUKWTM-QZTJIDSGSA-N 2 0 333.451 2.249 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001498864930 1108242956 /nfs/dbraw/zinc/24/29/56/1108242956.db2.gz UUADZLBAQIUHCR-JSGCOSHPSA-N 2 0 341.908 2.338 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001493806542 1108687456 /nfs/dbraw/zinc/68/74/56/1108687456.db2.gz JYVMBNCXIMJGAF-UHFFFAOYSA-N 2 0 329.847 2.367 10 0 EEAERP OCC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC001460964997 1110330114 /nfs/dbraw/zinc/33/01/14/1110330114.db2.gz KGDFGKBBTSGPMB-VQTJNVASSA-N 2 0 332.488 2.095 10 0 EEAERP CC[N@@H+]1CC[C@H]1CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001478657135 1110656369 /nfs/dbraw/zinc/65/63/69/1110656369.db2.gz FGVAQZVOHJRQRI-SFHVURJKSA-N 2 0 344.503 2.435 10 0 EEAERP Cc1cccc(CCC[N@H+]2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)c1 ZINC001479241611 1110666042 /nfs/dbraw/zinc/66/60/42/1110666042.db2.gz DYWDXODJAUACTR-IBGZPJMESA-N 2 0 331.504 2.412 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001479328413 1110681614 /nfs/dbraw/zinc/68/16/14/1110681614.db2.gz NEVFFKUTVRECQG-VQHPVUNQSA-N 2 0 327.488 2.483 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001479328411 1110681682 /nfs/dbraw/zinc/68/16/82/1110681682.db2.gz NEVFFKUTVRECQG-MWDXBVQZSA-N 2 0 327.488 2.483 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCOCC)C2 ZINC001499576001 1112381577 /nfs/dbraw/zinc/38/15/77/1112381577.db2.gz FAGIAUXCQSDVOG-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589957 1112960550 /nfs/dbraw/zinc/96/05/50/1112960550.db2.gz WKWDCIXAEJROKY-MSOLQXFVSA-N 2 0 349.519 2.225 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001501048223 1113179608 /nfs/dbraw/zinc/17/96/08/1113179608.db2.gz ZGJYHISJQJZCSV-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501395555 1113340376 /nfs/dbraw/zinc/34/03/76/1113340376.db2.gz NWXOGUJDGUFNLG-ZGUYJTEBSA-N 2 0 333.520 2.440 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@H]3[C@@H]2CCCN3C(=O)C[N@@H+](C)C(C)C)c1 ZINC001501407883 1113348340 /nfs/dbraw/zinc/34/83/40/1113348340.db2.gz KOPUDMXNCJYJDQ-OALUTQOASA-N 2 0 344.503 2.296 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001501578780 1113389125 /nfs/dbraw/zinc/38/91/25/1113389125.db2.gz OWHSCVIGCGVUHC-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]Cc2cncs2)C1)C12CCC[NH+]1CCC2 ZINC001501585445 1113391320 /nfs/dbraw/zinc/39/13/20/1113391320.db2.gz CAWWMSILQZRZNG-HNNXBMFYSA-N 2 0 348.516 2.100 10 0 EEAERP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001501682025 1113432781 /nfs/dbraw/zinc/43/27/81/1113432781.db2.gz WEXKHISEWBAEGK-SJORKVTESA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCc2ccc(Cl)cc2)CCC1 ZINC001501996284 1113551832 /nfs/dbraw/zinc/55/18/32/1113551832.db2.gz ZNMPOAWJEMCXNT-UHFFFAOYSA-N 2 0 337.895 2.463 10 0 EEAERP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001502148089 1113617137 /nfs/dbraw/zinc/61/71/37/1113617137.db2.gz WEYMXPDZABBYMY-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001505398455 1113935401 /nfs/dbraw/zinc/93/54/01/1113935401.db2.gz JBEAJLRZKWSXLL-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001505679226 1114126706 /nfs/dbraw/zinc/12/67/06/1114126706.db2.gz TUNXZOHFPUQLNV-STQMWFEESA-N 2 0 326.872 2.060 10 0 EEAERP CCCC[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506554652 1114696164 /nfs/dbraw/zinc/69/61/64/1114696164.db2.gz XWFBKDMEZGVNNY-LSDHHAIUSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC[C@H]2CCCO2)CC1 ZINC001506970167 1115020373 /nfs/dbraw/zinc/02/03/73/1115020373.db2.gz KJGTUJCJIKXXBF-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC001506970168 1115020920 /nfs/dbraw/zinc/02/09/20/1115020920.db2.gz KJGTUJCJIKXXBF-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1cc(C)ns1)C1CC1)[NH+](C)C ZINC001507026959 1115064472 /nfs/dbraw/zinc/06/44/72/1115064472.db2.gz GQJMKTWUQIMYOE-HOTGVXAUSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507298128 1115179984 /nfs/dbraw/zinc/17/99/84/1115179984.db2.gz POESSAYOJYHUOZ-SJORKVTESA-N 2 0 348.491 2.328 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507359232 1115220841 /nfs/dbraw/zinc/22/08/41/1115220841.db2.gz YHPABXPGIVSGQN-YQVWRLOYSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(C)(C)C ZINC001507629133 1115312590 /nfs/dbraw/zinc/31/25/90/1115312590.db2.gz WXHJYKYMXYELTQ-IAGOWNOFSA-N 2 0 341.540 2.047 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001508034669 1115396912 /nfs/dbraw/zinc/39/69/12/1115396912.db2.gz GTMLTIHVWLBQSR-KRWDZBQOSA-N 2 0 335.492 2.129 10 0 EEAERP CC[C@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1)OC ZINC001508065033 1115408930 /nfs/dbraw/zinc/40/89/30/1115408930.db2.gz OOSFFYTWGHTAMX-KBAYOESNSA-N 2 0 341.540 2.214 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C(Cl)=C/Cl)C1 ZINC001508141715 1115426819 /nfs/dbraw/zinc/42/68/19/1115426819.db2.gz SAKXBIFHRMZITA-IQTPLIFHSA-N 2 0 334.291 2.226 10 0 EEAERP Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC1([NH+](C)C)CCCC1 ZINC001511898897 1118310328 /nfs/dbraw/zinc/31/03/28/1118310328.db2.gz ORRUJGWIKYCCTR-KRWDZBQOSA-N 2 0 346.523 2.135 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001568041573 1124245903 /nfs/dbraw/zinc/24/59/03/1124245903.db2.gz RZCGPJWQHDJQHT-QAPCUYQASA-N 2 0 327.488 2.343 10 0 EEAERP COCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568056449 1124262116 /nfs/dbraw/zinc/26/21/16/1124262116.db2.gz DBGVCCZPUXFGIN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001568076845 1124282440 /nfs/dbraw/zinc/28/24/40/1124282440.db2.gz SHHYHUCEFVGYGZ-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001568358076 1124435543 /nfs/dbraw/zinc/43/55/43/1124435543.db2.gz NZABWDJYNZAKFI-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CCCCC(F)(F)F)C1 ZINC001568496256 1124553819 /nfs/dbraw/zinc/55/38/19/1124553819.db2.gz NRNADWBDWRWAEV-CQSZACIVSA-N 2 0 337.430 2.451 10 0 EEAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568741981 1124755288 /nfs/dbraw/zinc/75/52/88/1124755288.db2.gz KENDDADLLFQTIA-UHFFFAOYSA-N 2 0 332.492 2.284 10 0 EEAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568800437 1124815999 /nfs/dbraw/zinc/81/59/99/1124815999.db2.gz JLHOXJZLAOVRTE-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001568851142 1124870366 /nfs/dbraw/zinc/87/03/66/1124870366.db2.gz YBZFOBNGIKNBDZ-WHLIDYPQSA-N 2 0 333.451 2.461 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]CC[C@H]2CCCO2)ccc2c[nH+]cn21 ZINC001568877548 1124903336 /nfs/dbraw/zinc/90/33/36/1124903336.db2.gz NNEPXNFPLYLNBI-RCAFFNEUSA-N 2 0 342.443 2.087 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001569084122 1125087950 /nfs/dbraw/zinc/08/79/50/1125087950.db2.gz BDBWQNNPTNEWJR-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1c(C(=O)N[C@H](C)C[N@H+](C)CCOCC2CC2)ccc2c[nH+]cn21 ZINC001569123872 1125113761 /nfs/dbraw/zinc/11/37/61/1125113761.db2.gz AGPGSEZLMXONCH-CQSZACIVSA-N 2 0 344.459 2.119 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569267049 1125206365 /nfs/dbraw/zinc/20/63/65/1125206365.db2.gz LMEMYKUPSHOOMC-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000163934153 539537496 /nfs/dbraw/zinc/53/74/96/539537496.db2.gz SVPCHDGHLPBOKU-HXUWFJFHSA-N 2 0 331.504 2.353 10 0 EEAERP CCC[NH+](CCC)CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000364214531 283214164 /nfs/dbraw/zinc/21/41/64/283214164.db2.gz LJIPVNQYCUCZPC-GPMSIDNRSA-N 2 0 339.524 2.147 10 0 EEAERP CCC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CCC1 ZINC000459804970 245252887 /nfs/dbraw/zinc/25/28/87/245252887.db2.gz PHZGGSWLQQNVKX-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000270344052 256125597 /nfs/dbraw/zinc/12/55/97/256125597.db2.gz MBFFDJLEQYEZMA-DQEVTTJGSA-N 2 0 342.487 2.214 10 0 EEAERP C[NH+]1CCC(CC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000273259884 256281704 /nfs/dbraw/zinc/28/17/04/256281704.db2.gz SUXMXMHLKDGDIS-UHFFFAOYSA-N 2 0 344.503 2.104 10 0 EEAERP COCCN1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000273025061 256258386 /nfs/dbraw/zinc/25/83/86/256258386.db2.gz BDAZUCZVUFZSJG-CYBMUJFWSA-N 2 0 345.256 2.441 10 0 EEAERP C[NH+](C)C1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc2C1 ZINC000354079431 153094130 /nfs/dbraw/zinc/09/41/30/153094130.db2.gz HGTXMMQDLDYHFR-LJQANCHMSA-N 2 0 343.515 2.466 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000098093530 159250202 /nfs/dbraw/zinc/25/02/02/159250202.db2.gz GPOBMBHTZDLQBG-MRXNPFEDSA-N 2 0 333.476 2.089 10 0 EEAERP Cc1nccn1C[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192753413 160173036 /nfs/dbraw/zinc/17/30/36/160173036.db2.gz ORHGIUKTNXDCSR-LJQANCHMSA-N 2 0 333.524 2.072 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)[NH+](C)C)cc1 ZINC000246369588 160275990 /nfs/dbraw/zinc/27/59/90/160275990.db2.gz GGOJZMRNJQFNDW-OALUTQOASA-N 2 0 344.503 2.477 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000247513094 160327056 /nfs/dbraw/zinc/32/70/56/160327056.db2.gz QATPNIDRFZSAOH-WMZOPIPTSA-N 2 0 332.492 2.290 10 0 EEAERP OCCOCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248402865 160344169 /nfs/dbraw/zinc/34/41/69/160344169.db2.gz NYDZOUASVQWPJK-HSALFYBXSA-N 2 0 332.488 2.276 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000346146361 161360962 /nfs/dbraw/zinc/36/09/62/161360962.db2.gz IRUCPTSYVVIJLT-QGZVFWFLSA-N 2 0 346.519 2.289 10 0 EEAERP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H]1CCCCO1 ZINC000359182431 164077136 /nfs/dbraw/zinc/07/71/36/164077136.db2.gz AZRNWWYQZJNDOP-SFHVURJKSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)C1(N2CCOCC2)CCC1 ZINC000360366722 164293499 /nfs/dbraw/zinc/29/34/99/164293499.db2.gz VFBVAGJPJWSFMO-UHFFFAOYSA-N 2 0 349.519 2.155 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1nccn1C ZINC000370005159 166374573 /nfs/dbraw/zinc/37/45/73/166374573.db2.gz FACXFHPUFXKAEQ-INIZCTEOSA-N 2 0 341.459 2.226 10 0 EEAERP CC[C@@H]1C[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000349342054 287282540 /nfs/dbraw/zinc/28/25/40/287282540.db2.gz CWZANXSOKSIVLQ-XEOGZFBHSA-N 2 0 335.536 2.434 10 0 EEAERP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000278616194 269236155 /nfs/dbraw/zinc/23/61/55/269236155.db2.gz MWYSNHBEIQTYCP-FQEVSTJZSA-N 2 0 329.488 2.058 10 0 EEAERP Cc1c(O)ccc2c(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)oc12 ZINC000292239918 275399532 /nfs/dbraw/zinc/39/95/32/275399532.db2.gz WOVWYMVLMNRDJK-LJQANCHMSA-N 2 0 328.412 2.335 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000415910841 276267614 /nfs/dbraw/zinc/26/76/14/276267614.db2.gz CGVIXHVSGCYHIQ-JKSUJKDBSA-N 2 0 336.505 2.305 10 0 EEAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422795993 276335205 /nfs/dbraw/zinc/33/52/05/276335205.db2.gz XGKYFUNBEUJBKN-PMACEKPBSA-N 2 0 331.504 2.385 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000120820170 277393704 /nfs/dbraw/zinc/39/37/04/277393704.db2.gz MHYKDKATNSMOMS-MSOLQXFVSA-N 2 0 339.524 2.016 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CC2 ZINC000247985159 290206653 /nfs/dbraw/zinc/20/66/53/290206653.db2.gz IDYFZAPBQUUFJN-XWSJACJDSA-N 2 0 342.487 2.310 10 0 EEAERP COC[C@H](CCC[NH3+])Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423024953 293098412 /nfs/dbraw/zinc/09/84/12/293098412.db2.gz KKFHGFJOUSOYEF-SFHVURJKSA-N 2 0 334.508 2.383 10 0 EEAERP O[C@@H]1[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC12CCOCC2 ZINC000298150405 294432337 /nfs/dbraw/zinc/43/23/37/294432337.db2.gz ROWIGLTVDGMHRM-QFBILLFUSA-N 2 0 345.487 2.208 10 0 EEAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1[NH3+] ZINC000333133991 312098200 /nfs/dbraw/zinc/09/82/00/312098200.db2.gz CBUWZATZQRKEOY-JUFRUHRKSA-N 2 0 342.487 2.171 10 0 EEAERP O=C1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333176722 312106944 /nfs/dbraw/zinc/10/69/44/312106944.db2.gz RBBDVPISLDLRFS-NHIYQJMISA-N 2 0 347.425 2.344 10 0 EEAERP CC[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+](CC)C[C@H]3C)cn2)CC1 ZINC000347182613 312273862 /nfs/dbraw/zinc/27/38/62/312273862.db2.gz BOIXCAJUIQZTHA-MJGOQNOKSA-N 2 0 345.535 2.043 10 0 EEAERP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784657 313087947 /nfs/dbraw/zinc/08/79/47/313087947.db2.gz TUGROTVQJUDALJ-HNNXBMFYSA-N 2 0 341.446 2.494 10 0 EEAERP [NH3+]CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000416896859 313352795 /nfs/dbraw/zinc/35/27/95/313352795.db2.gz PRHCDQHGMZFMPZ-UHFFFAOYSA-N 2 0 330.476 2.163 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000416949293 313369864 /nfs/dbraw/zinc/36/98/64/313369864.db2.gz HBSKFMDOFLNPFR-FGTMMUONSA-N 2 0 336.524 2.423 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417016359 313395827 /nfs/dbraw/zinc/39/58/27/313395827.db2.gz GASSBDOMHNYCSR-OALUTQOASA-N 2 0 342.487 2.359 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418584468 313853023 /nfs/dbraw/zinc/85/30/23/313853023.db2.gz XOARRHCBCURWDG-SJLPKXTDSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418601462 313857465 /nfs/dbraw/zinc/85/74/65/313857465.db2.gz UNLZZVWCZKLALV-SJLPKXTDSA-N 2 0 336.524 2.282 10 0 EEAERP CN(C)c1ncc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000425320186 314381348 /nfs/dbraw/zinc/38/13/48/314381348.db2.gz CEAJRRPUTHVEKP-KRWDZBQOSA-N 2 0 327.476 2.192 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527798916 317265401 /nfs/dbraw/zinc/26/54/01/317265401.db2.gz JDGCRNCTOQHESV-AEFFLSMTSA-N 2 0 336.524 2.425 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527798923 317265461 /nfs/dbraw/zinc/26/54/61/317265461.db2.gz JDGCRNCTOQHESV-SJLPKXTDSA-N 2 0 336.524 2.425 10 0 EEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)CC1 ZINC000537215281 318014807 /nfs/dbraw/zinc/01/48/07/318014807.db2.gz XOCFDNKZVFQMKP-UHFFFAOYSA-N 2 0 346.519 2.241 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000566682089 319311502 /nfs/dbraw/zinc/31/15/02/319311502.db2.gz NVVZAGNZYXAAAV-ZZCKCESHSA-N 2 0 333.451 2.342 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000567571846 319391815 /nfs/dbraw/zinc/39/18/15/319391815.db2.gz HDXNVODYLHUOCN-VQIMIIECSA-N 2 0 344.503 2.470 10 0 EEAERP O[C@H](C[NH2+][C@H]1CCc2nc[nH]c2C1)COCc1ccccc1Cl ZINC000574806208 320058761 /nfs/dbraw/zinc/05/87/61/320058761.db2.gz VTKDPPPCFWETQP-UONOGXRCSA-N 2 0 335.835 2.088 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580548721 324084545 /nfs/dbraw/zinc/08/45/45/324084545.db2.gz FCHJKBCYXYZUHH-MDZRGWNJSA-N 2 0 344.503 2.375 10 0 EEAERP CCC(C)(C)C1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000581871657 324332436 /nfs/dbraw/zinc/33/24/36/324332436.db2.gz QVIMOVORHVBWQZ-DAWZGUTISA-N 2 0 325.541 2.179 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000177397577 465005123 /nfs/dbraw/zinc/00/51/23/465005123.db2.gz CZRMIGFYKWNCHV-KSZLIROESA-N 2 0 338.540 2.480 10 0 EEAERP Cc1ncc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000339287447 465188786 /nfs/dbraw/zinc/18/87/86/465188786.db2.gz OQGQSCPOPFUFMN-UHFFFAOYSA-N 2 0 339.487 2.477 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1cc(F)ccc1F ZINC000535659675 468316883 /nfs/dbraw/zinc/31/68/83/468316883.db2.gz SUFRZMAQHZKCFL-UHFFFAOYSA-N 2 0 341.446 2.239 10 0 EEAERP Cc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c(OCC[NH+](C)C)c1 ZINC000154641929 462792492 /nfs/dbraw/zinc/79/24/92/462792492.db2.gz JVAMFIYJGCMLCL-OAHLLOKOSA-N 2 0 334.464 2.103 10 0 EEAERP CN(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971020 462844467 /nfs/dbraw/zinc/84/44/67/462844467.db2.gz JQADVJYRATURBC-UHFFFAOYSA-N 2 0 329.488 2.453 10 0 EEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000158444969 463235109 /nfs/dbraw/zinc/23/51/09/463235109.db2.gz ZTJSHXOYPOJHME-WMZOPIPTSA-N 2 0 332.492 2.146 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079732818 463245457 /nfs/dbraw/zinc/24/54/57/463245457.db2.gz YKBPLTZINFMRCF-IPMKNSEASA-N 2 0 344.503 2.085 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000054698360 463254419 /nfs/dbraw/zinc/25/44/19/463254419.db2.gz SHHZOGBEEICXTK-NXHRZFHOSA-N 2 0 330.476 2.215 10 0 EEAERP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C(=O)O1 ZINC000069493226 463260137 /nfs/dbraw/zinc/26/01/37/463260137.db2.gz DMRGWEPRNNEMLT-MNEFBYGVSA-N 2 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ZINC000179518633 464150228 /nfs/dbraw/zinc/15/02/28/464150228.db2.gz ITSXNKVZKUBWGB-LJQANCHMSA-N 2 0 328.460 2.287 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCCN2CCOCC2)C3)cc1 ZINC000180104332 464242532 /nfs/dbraw/zinc/24/25/32/464242532.db2.gz OQTWCIAUVMKDOK-SEJPIABJSA-N 2 0 343.515 2.494 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000174267002 464385992 /nfs/dbraw/zinc/38/59/92/464385992.db2.gz SZECAHBKLJRMJP-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000281500148 464480013 /nfs/dbraw/zinc/48/00/13/464480013.db2.gz GREGZFNQWNTIBH-GOSISDBHSA-N 2 0 335.467 2.437 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246342490 464574512 /nfs/dbraw/zinc/57/45/12/464574512.db2.gz UWRKLIZTXIQKPE-FOIPXRHGSA-N 2 0 336.524 2.375 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000247511923 464687944 /nfs/dbraw/zinc/68/79/44/464687944.db2.gz PVHLCBUVRUJXRF-OALUTQOASA-N 2 0 344.503 2.341 10 0 EEAERP Cc1cnn([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000192736042 464986749 /nfs/dbraw/zinc/98/67/49/464986749.db2.gz XXRZOUCYXNPCMG-LJQANCHMSA-N 2 0 333.524 2.245 10 0 EEAERP Cc1nc(C2CC2)oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000353518212 465947409 /nfs/dbraw/zinc/94/74/09/465947409.db2.gz NBFXOURLRXANAJ-UHFFFAOYSA-N 2 0 336.480 2.206 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000346171084 465959439 /nfs/dbraw/zinc/95/94/39/465959439.db2.gz NVTDIDLGAMEPIQ-APWZRJJASA-N 2 0 325.460 2.492 10 0 EEAERP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000340299451 465967706 /nfs/dbraw/zinc/96/77/06/465967706.db2.gz HDTIJRDTISLMPW-ROUUACIJSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000349805502 466250121 /nfs/dbraw/zinc/25/01/21/466250121.db2.gz YAIKQQCIDDKKQF-HPFXQQBRSA-N 2 0 336.524 2.231 10 0 EEAERP c1ccc(N2CCC(Nc3ccnc(N4CCCCC4)n3)CC2)nc1 ZINC000354072704 466336958 /nfs/dbraw/zinc/33/69/58/466336958.db2.gz RZITWOZOQAJBAF-UHFFFAOYSA-N 2 0 338.459 2.943 10 0 EEAERP CN(C(=O)NC1CCC(C[NH+](C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000354530084 466631432 /nfs/dbraw/zinc/63/14/32/466631432.db2.gz GWHKGJQSHVWONS-DDEIOVDASA-N 2 0 336.524 2.373 10 0 EEAERP c1nc([C@H]2CCC[N@@H+](CCCN3CCOCC3)C2)n2c1CCCC2 ZINC000368514305 466655460 /nfs/dbraw/zinc/65/54/60/466655460.db2.gz MPPSNJFPBKMFAE-KRWDZBQOSA-N 2 0 332.492 2.121 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000423079127 466691104 /nfs/dbraw/zinc/69/11/04/466691104.db2.gz XGZQVLYKXIPXBU-WNRNVDISSA-N 2 0 331.508 2.208 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000375050361 466786182 /nfs/dbraw/zinc/78/61/82/466786182.db2.gz QOVCQFRZLUYCMI-OALUTQOASA-N 2 0 339.439 2.029 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000417313311 466830074 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C[NH+]1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000425727671 467127458 /nfs/dbraw/zinc/12/74/58/467127458.db2.gz RKNKIWWBJQOOJY-OKYOBFRVSA-N 2 0 342.487 2.167 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000418660177 467142268 /nfs/dbraw/zinc/14/22/68/467142268.db2.gz YMLKKTLPNJDNJV-ICSRJNTNSA-N 2 0 344.503 2.376 10 0 EEAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOCCOc3ccccc3)CC2)C1 ZINC000420385795 467389600 /nfs/dbraw/zinc/38/96/00/467389600.db2.gz IBOIMWFEYLUXTJ-QUCCMNQESA-N 2 0 348.487 2.300 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)[C@H]2CCCOC2)CC1 ZINC000414566984 467420281 /nfs/dbraw/zinc/42/02/81/467420281.db2.gz XJRBSIPVNIWSMT-SLYNCCJLSA-N 2 0 346.515 2.459 10 0 EEAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000397569849 467441824 /nfs/dbraw/zinc/44/18/24/467441824.db2.gz XVBPIOYMBJRFPP-RBUKOAKNSA-N 2 0 332.488 2.418 10 0 EEAERP COC[C@@]1(CNCc2ccc(Br)cc2OC)CCC[NH2+]1 ZINC000414946780 467456701 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ZINC000571633268 468814682 /nfs/dbraw/zinc/81/46/82/468814682.db2.gz ZOJBIJDRRBBBHF-TVXGVJEUSA-N 2 0 341.434 2.272 10 0 EEAERP COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150247 469183100 /nfs/dbraw/zinc/18/31/00/469183100.db2.gz LTRHXJHNUWLVCQ-JXFKEZNVSA-N 2 0 345.487 2.290 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000615262737 469194572 /nfs/dbraw/zinc/19/45/72/469194572.db2.gz CFLPVSYJMUMBFS-OTWHNJEPSA-N 2 0 345.487 2.001 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629529864 469572585 /nfs/dbraw/zinc/57/25/85/469572585.db2.gz OSVRALAQJBKITF-HSALFYBXSA-N 3 0 331.504 2.113 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000629569020 469582264 /nfs/dbraw/zinc/58/22/64/469582264.db2.gz NRPKRESABHFINF-HUUCEWRRSA-N 2 0 347.459 2.166 10 0 EEAERP COc1ccc(CN2CC[C@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2=O)cc1 ZINC000623420627 469651469 /nfs/dbraw/zinc/65/14/69/469651469.db2.gz JXZTVPNOKZWLFR-WMZOPIPTSA-N 2 0 345.487 2.259 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000623713050 469741230 /nfs/dbraw/zinc/74/12/30/469741230.db2.gz RHQDJXAHYXCJPM-FUHWJXTLSA-N 2 0 336.524 2.425 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000626921828 469754536 /nfs/dbraw/zinc/75/45/36/469754536.db2.gz JRVRNPIGXQFBLB-RRFJBIMHSA-N 2 0 336.505 2.325 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921361 469754584 /nfs/dbraw/zinc/75/45/84/469754584.db2.gz XXSARPNVTSQYAO-PMPSAXMXSA-N 2 0 334.464 2.246 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[NH2+]1 ZINC000626927386 469757215 /nfs/dbraw/zinc/75/72/15/469757215.db2.gz MOERGLUZFBNYMG-MAUKXSAKSA-N 2 0 330.476 2.222 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000626926223 469757339 /nfs/dbraw/zinc/75/73/39/469757339.db2.gz YKWXQMHPABBQGF-ZWKOTPCHSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000627000348 469784372 /nfs/dbraw/zinc/78/43/72/469784372.db2.gz OVUJTDNECQFUOV-XLMAVXFVSA-N 2 0 344.503 2.193 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627001615 469785309 /nfs/dbraw/zinc/78/53/09/469785309.db2.gz JUAUGHJYRFIVFK-RVKKMQEKSA-N 2 0 345.491 2.047 10 0 EEAERP C[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)CC1(C)C ZINC000623942482 469802254 /nfs/dbraw/zinc/80/22/54/469802254.db2.gz KVRCAHHBDPXJSB-QZTJIDSGSA-N 2 0 344.503 2.421 10 0 EEAERP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CCCC1 ZINC000623955402 469804899 /nfs/dbraw/zinc/80/48/99/469804899.db2.gz ZAYQSYRDVXRRMS-KRWDZBQOSA-N 2 0 336.524 2.425 10 0 EEAERP Cn1ccnc1C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000608648145 469852710 /nfs/dbraw/zinc/85/27/10/469852710.db2.gz NVWFAQZUOANOLV-IRXDYDNUSA-N 2 0 341.459 2.097 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccncc1 ZINC000630880912 470019410 /nfs/dbraw/zinc/01/94/10/470019410.db2.gz WIYZHZIYZZAZNR-SJLPKXTDSA-N 2 0 332.492 2.060 10 0 EEAERP COc1cncc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1C ZINC000631112074 470071376 /nfs/dbraw/zinc/07/13/76/470071376.db2.gz XKJIKBHOZQMONY-IBGZPJMESA-N 2 0 341.455 2.255 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634706806 470283057 /nfs/dbraw/zinc/28/30/57/470283057.db2.gz VHVFONNGLXOCCH-SEVLPDGMSA-N 2 0 346.515 2.399 10 0 EEAERP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1(CO)CC=CC1 ZINC000646083853 470521304 /nfs/dbraw/zinc/52/13/04/470521304.db2.gz GLXQTUXZKOEOQB-IBGZPJMESA-N 2 0 337.552 2.345 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000646186645 470558372 /nfs/dbraw/zinc/55/83/72/470558372.db2.gz CXOBNBDEFOKSOX-IBGZPJMESA-N 2 0 344.503 2.376 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)CC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296529 470594630 /nfs/dbraw/zinc/59/46/30/470594630.db2.gz SPADAQYYROIWQT-WMZOPIPTSA-N 2 0 331.460 2.217 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000643261400 470644999 /nfs/dbraw/zinc/64/49/99/470644999.db2.gz CWHXCQIOSSSPFB-UHFFFAOYSA-N 2 0 328.420 2.262 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647282887 470875532 /nfs/dbraw/zinc/87/55/32/470875532.db2.gz ZVBUHKYETUIPMP-KRWDZBQOSA-N 2 0 333.524 2.288 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(OC)c1 ZINC000650713687 470949102 /nfs/dbraw/zinc/94/91/02/470949102.db2.gz ZUSCRGXSCZFJKM-ZDUSSCGKSA-N 2 0 335.448 2.140 10 0 EEAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000638119672 470973362 /nfs/dbraw/zinc/97/33/62/470973362.db2.gz BFELVZACCMGXCW-UKBAYJJMSA-N 2 0 345.487 2.004 10 0 EEAERP COc1cccc2c1OC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657345972 471107166 /nfs/dbraw/zinc/10/71/66/471107166.db2.gz UCAKDGCIAGIHPE-OAHLLOKOSA-N 2 0 336.395 2.369 10 0 EEAERP CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1=O ZINC000657756160 471228000 /nfs/dbraw/zinc/22/80/00/471228000.db2.gz SXQIVTYYQZEBRW-CQSZACIVSA-N 2 0 327.432 2.004 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652180289 471251806 /nfs/dbraw/zinc/25/18/06/471251806.db2.gz OWIZKUQOGXISHA-SFHVURJKSA-N 2 0 344.503 2.325 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000652185798 471252709 /nfs/dbraw/zinc/25/27/09/471252709.db2.gz UQWZBERUBQNOFQ-KRWDZBQOSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000652286669 471266978 /nfs/dbraw/zinc/26/69/78/471266978.db2.gz BTDIDQFKOPYDEC-GOSISDBHSA-N 2 0 332.492 2.422 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000652288496 471267474 /nfs/dbraw/zinc/26/74/74/471267474.db2.gz LRLBDAZIODJYRE-ZWKOTPCHSA-N 2 0 330.476 2.032 10 0 EEAERP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658134755 471269820 /nfs/dbraw/zinc/26/98/20/471269820.db2.gz BTFCVPREAXHJJB-QFBILLFUSA-N 2 0 328.460 2.018 10 0 EEAERP CCOC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369077 471343740 /nfs/dbraw/zinc/34/37/40/471343740.db2.gz WNUIYKQTRWUOPL-MOPGFXCFSA-N 2 0 332.488 2.276 10 0 EEAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669125167 471388598 /nfs/dbraw/zinc/38/85/98/471388598.db2.gz VMFHBUIQCODAHA-DWTRPJMMSA-N 2 0 330.476 2.233 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035703 471477384 /nfs/dbraw/zinc/47/73/84/471477384.db2.gz MRBCGBZEOSQWGC-MSOLQXFVSA-N 2 0 346.475 2.296 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420569 471489531 /nfs/dbraw/zinc/48/95/31/471489531.db2.gz QNHXRKQGXPTBTA-QRQLOZEOSA-N 2 0 344.503 2.196 10 0 EEAERP CCN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000663785100 471517688 /nfs/dbraw/zinc/51/76/88/471517688.db2.gz DGHKNIAXGVIADG-SFHVURJKSA-N 2 0 332.492 2.244 10 0 EEAERP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659383021 471599550 /nfs/dbraw/zinc/59/95/50/471599550.db2.gz SIHYKKDDZVEYDN-XYJFISCASA-N 2 0 329.488 2.388 10 0 EEAERP CC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000659387626 471602779 /nfs/dbraw/zinc/60/27/79/471602779.db2.gz YWEXXJSLNNVVOH-IAGOWNOFSA-N 2 0 333.451 2.186 10 0 EEAERP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000667117637 471660391 /nfs/dbraw/zinc/66/03/91/471660391.db2.gz ZOGNCCVUEWKWCY-GOSISDBHSA-N 2 0 344.503 2.150 10 0 EEAERP [NH3+][C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659612419 471699415 /nfs/dbraw/zinc/69/94/15/471699415.db2.gz VBUKKYZXKDBJPL-QZTJIDSGSA-N 2 0 342.487 2.031 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664329212 471721714 /nfs/dbraw/zinc/72/17/14/471721714.db2.gz FXWASRZUPIDVKE-MRXNPFEDSA-N 2 0 347.507 2.290 10 0 EEAERP c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n(-c2ccncc2)n1 ZINC000667601835 471838265 /nfs/dbraw/zinc/83/82/65/471838265.db2.gz LBRNAYHUPZEWOV-OAHLLOKOSA-N 2 0 349.442 2.185 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661781697 471881902 /nfs/dbraw/zinc/88/19/02/471881902.db2.gz GUCLEOCYEUBYMX-VQTJNVASSA-N 2 0 347.551 2.137 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000654383679 471936560 /nfs/dbraw/zinc/93/65/60/471936560.db2.gz OFMSUJMIXPCKPN-TXPKVOOTSA-N 2 0 344.503 2.073 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000654410009 471948220 /nfs/dbraw/zinc/94/82/20/471948220.db2.gz GTLFKANBUFTQMO-MAEOIBBWSA-N 2 0 336.524 2.280 10 0 EEAERP OCCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCCc2ccccc21 ZINC000662256854 472045260 /nfs/dbraw/zinc/04/52/60/472045260.db2.gz LPXGCFQVGDHWAW-MJGOQNOKSA-N 2 0 330.472 2.269 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261703 472048070 /nfs/dbraw/zinc/04/80/70/472048070.db2.gz MVTGPSCTDSSZMU-FQEVSTJZSA-N 3 0 343.515 2.351 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000662747714 472233944 /nfs/dbraw/zinc/23/39/44/472233944.db2.gz CITVHRJPXGOZLA-MAUKXSAKSA-N 2 0 327.472 2.440 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCC1=CC[NH2+]CC1 ZINC000668813896 472279622 /nfs/dbraw/zinc/27/96/22/472279622.db2.gz BTPCNYSLAQMFIR-UHFFFAOYSA-N 2 0 328.460 2.001 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000662884857 472290268 /nfs/dbraw/zinc/29/02/68/472290268.db2.gz PTCFLCRISZWQNB-RBUKOAKNSA-N 2 0 337.423 2.001 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770525 485524959 /nfs/dbraw/zinc/52/49/59/485524959.db2.gz CEFUIPQUFPHRJF-HZPDHXFCSA-N 2 0 338.883 2.336 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000434359611 485714112 /nfs/dbraw/zinc/71/41/12/485714112.db2.gz XDUBBYPPRMZMAN-JQHSSLGASA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)n1ncnc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000631065943 485764612 /nfs/dbraw/zinc/76/46/12/485764612.db2.gz QBJAPWYFGJYIPX-UHFFFAOYSA-N 2 0 331.464 2.132 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675164464 485915347 /nfs/dbraw/zinc/91/53/47/485915347.db2.gz BFIYHXMLVBKOQC-CQSZACIVSA-N 2 0 328.420 2.263 10 0 EEAERP c1cnc(NCC[NH+]2CCCCC2)c(NCC[NH+]2CCCCC2)n1 ZINC000680952348 486096651 /nfs/dbraw/zinc/09/66/51/486096651.db2.gz LMSCRPWBUXQKTN-UHFFFAOYSA-N 2 0 332.496 2.272 10 0 EEAERP CCN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211800 486174018 /nfs/dbraw/zinc/17/40/18/486174018.db2.gz ZONBITLQEGVYGY-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000121637564 490624379 /nfs/dbraw/zinc/62/43/79/490624379.db2.gz YENLFMHPGIZCJP-OAHLLOKOSA-N 2 0 328.464 2.435 10 0 EEAERP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000414748611 534081915 /nfs/dbraw/zinc/08/19/15/534081915.db2.gz OPJVYVNCMMSQMR-KBPBESRZSA-N 2 0 337.414 2.111 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccco1 ZINC000174389012 528273207 /nfs/dbraw/zinc/27/32/07/528273207.db2.gz MCWOVHXUTBAOLG-DLBZAZTESA-N 2 0 346.475 2.318 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000353209954 534938016 /nfs/dbraw/zinc/93/80/16/534938016.db2.gz VJZYTISXEDGFAK-IEBWSBKVSA-N 2 0 331.504 2.469 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000730731630 577052804 /nfs/dbraw/zinc/05/28/04/577052804.db2.gz IDJUTJWHDBRJOU-XHSDSOJGSA-N 2 0 326.554 2.198 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSC(C)(C)C ZINC000750734502 577741979 /nfs/dbraw/zinc/74/19/79/577741979.db2.gz HJUSYKKIIAUXSB-HNNXBMFYSA-N 2 0 329.554 2.393 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000261948589 682559972 /nfs/dbraw/zinc/55/99/72/682559972.db2.gz NPBAAPAIAJSCEN-CTNGQTDRSA-N 3 0 345.531 2.363 10 0 EEAERP Brc1cnn(CCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925652395 684742970 /nfs/dbraw/zinc/74/29/70/684742970.db2.gz DVGLCMGFLMJGML-CYBMUJFWSA-N 2 0 327.270 2.300 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@@H]1[NH+](C)C ZINC000897237045 686302785 /nfs/dbraw/zinc/30/27/85/686302785.db2.gz BTDUXLOMANUVBT-XMTFNYHQSA-N 2 0 347.528 2.183 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925214300 687556234 /nfs/dbraw/zinc/55/62/34/687556234.db2.gz FILWODCOUJDQNE-FXAWDEMLSA-N 2 0 330.520 2.408 10 0 EEAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000897585956 691648595 /nfs/dbraw/zinc/64/85/95/691648595.db2.gz AXPCXJABRZLHRU-QYZOEREBSA-N 2 0 344.503 2.067 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)ccn2)CC1 ZINC000924688691 693164060 /nfs/dbraw/zinc/16/40/60/693164060.db2.gz HESWQYGDHFLAKU-ALOPSCKCSA-N 2 0 332.517 2.350 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001485575409 1191852251 /nfs/dbraw/zinc/85/22/51/1191852251.db2.gz LVAQFYLRLXZMTQ-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21)[NH+](C)C ZINC001485617124 1191863905 /nfs/dbraw/zinc/86/39/05/1191863905.db2.gz ZRFHMJRWOWUMMF-XQLPTFJDSA-N 2 0 349.441 2.353 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1)[NH+]1CCCC1 ZINC001485706347 1191899599 /nfs/dbraw/zinc/89/95/99/1191899599.db2.gz FJMLEDACYWBWSK-BHIYHBOVSA-N 2 0 344.503 2.186 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485707122 1191899997 /nfs/dbraw/zinc/89/99/97/1191899997.db2.gz STRKUSPUCQTCIX-SAABIXHNSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1ncsc1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739733 1191916832 /nfs/dbraw/zinc/91/68/32/1191916832.db2.gz ZDZZNZPQSXRAOJ-KGLIPLIRSA-N 2 0 338.521 2.168 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC001485763023 1191937565 /nfs/dbraw/zinc/93/75/65/1191937565.db2.gz MJOLHJVXJCNKHY-UHFFFAOYSA-N 2 0 345.487 2.091 10 0 EEAERP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266359489 1176399630 /nfs/dbraw/zinc/39/96/30/1176399630.db2.gz WUSNSUSZIWANEY-GOSISDBHSA-N 2 0 345.487 2.050 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001670555717 1176899432 /nfs/dbraw/zinc/89/94/32/1176899432.db2.gz CVPRCTHXNULZLI-WOJBJXKFSA-N 2 0 343.515 2.228 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701796 1177227082 /nfs/dbraw/zinc/22/70/82/1177227082.db2.gz FTGPTWPPCTYORB-KRWDZBQOSA-N 2 0 335.879 2.230 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691277960 1177810774 /nfs/dbraw/zinc/81/07/74/1177810774.db2.gz OAZITXYRSCDGPJ-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CCCCOCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001283316965 1177919269 /nfs/dbraw/zinc/91/92/69/1177919269.db2.gz LCJRECGVRNWKGC-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001691360094 1177967272 /nfs/dbraw/zinc/96/72/72/1177967272.db2.gz OAQNAFFRRPZFOZ-ZWKOTPCHSA-N 2 0 333.451 2.391 10 0 EEAERP CC(C)OCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001283332145 1178033516 /nfs/dbraw/zinc/03/35/16/1178033516.db2.gz RAFRPEKTJCOSDD-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001691448195 1178835299 /nfs/dbraw/zinc/83/52/99/1178835299.db2.gz QMDRVPCOQYWHOS-GNQBBTMLSA-N 2 0 329.488 2.478 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468928 1179090915 /nfs/dbraw/zinc/09/09/15/1179090915.db2.gz FHMJTDCPDYMPJK-INIZCTEOSA-N 2 0 337.895 2.272 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001481314797 1181010580 /nfs/dbraw/zinc/01/05/80/1181010580.db2.gz MCSKGOIRHIGNBU-GINYUPMKSA-N 2 0 345.487 2.098 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481462465 1181462813 /nfs/dbraw/zinc/46/28/13/1181462813.db2.gz BXFOIVOTEOZJDS-IEBWSBKVSA-N 2 0 329.488 2.275 10 0 EEAERP CN(C/C(Cl)=C\Cl)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481502835 1181581752 /nfs/dbraw/zinc/58/17/52/1181581752.db2.gz DFLJUODMDFZSCO-RNRBBCFGSA-N 2 0 348.318 2.428 10 0 EEAERP CCc1ccc(C[NH+]2CC(CNC(=O)Cn3cncc3C)C2)cc1 ZINC001481635093 1181985810 /nfs/dbraw/zinc/98/58/10/1181985810.db2.gz AELSOMSDJSKMCX-UHFFFAOYSA-N 2 0 326.444 2.002 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1)[NH+](CC)CC ZINC001481693194 1182222703 /nfs/dbraw/zinc/22/27/03/1182222703.db2.gz CQAIDESOJATCGN-GBESFXJTSA-N 2 0 347.503 2.031 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001268370512 1182358470 /nfs/dbraw/zinc/35/84/70/1182358470.db2.gz JVFUVUBASJXWAH-MAUKXSAKSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccn2)ccc2c[nH+]cn21 ZINC001268377590 1182394852 /nfs/dbraw/zinc/39/48/52/1182394852.db2.gz LGNKHYBZVCGTSF-AWEZNQCLSA-N 2 0 337.427 2.336 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1scnc1C ZINC001268425708 1182593711 /nfs/dbraw/zinc/59/37/11/1182593711.db2.gz HADOLAGNNLQQRB-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001268460021 1182740951 /nfs/dbraw/zinc/74/09/51/1182740951.db2.gz NELOPQCJNUTLOR-QGZVFWFLSA-N 2 0 332.492 2.464 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458854 1182741079 /nfs/dbraw/zinc/74/10/79/1182741079.db2.gz UGKIRIKGWLUXLF-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001481977071 1183065866 /nfs/dbraw/zinc/06/58/66/1183065866.db2.gz MTMWTEFMCMSHLB-AEFFLSMTSA-N 2 0 348.491 2.267 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001481984571 1183086927 /nfs/dbraw/zinc/08/69/27/1183086927.db2.gz RCFKSTHXXNJBOI-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481984924 1183087240 /nfs/dbraw/zinc/08/72/40/1183087240.db2.gz UYFXEUKJMUKLAE-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]Cc1cncs1 ZINC001482149289 1183466436 /nfs/dbraw/zinc/46/64/36/1183466436.db2.gz QDLLAHABWHEGNR-LSDHHAIUSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482160766 1183484614 /nfs/dbraw/zinc/48/46/14/1183484614.db2.gz KZDGYRVNAZJTKZ-HNNXBMFYSA-N 2 0 340.471 2.106 10 0 EEAERP Cc1ccccc1CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268624850 1183547006 /nfs/dbraw/zinc/54/70/06/1183547006.db2.gz HVORNTILYIZUTJ-UEKDZROGSA-N 2 0 329.488 2.141 10 0 EEAERP CN(CCC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268783892 1183701750 /nfs/dbraw/zinc/70/17/50/1183701750.db2.gz OMNZXYLBXBUKQW-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001268848381 1183764856 /nfs/dbraw/zinc/76/48/56/1183764856.db2.gz ZMJLPCXMVCUPHF-INIZCTEOSA-N 2 0 349.523 2.262 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001269323995 1184169370 /nfs/dbraw/zinc/16/93/70/1184169370.db2.gz FSSDOTMOKMRNEB-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)co1 ZINC001269742152 1184579255 /nfs/dbraw/zinc/57/92/55/1184579255.db2.gz SKPJUMGBMMZZIF-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCC[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269870894 1184683153 /nfs/dbraw/zinc/68/31/53/1184683153.db2.gz FPSNXLKZNRUQSY-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)[NH+](C)C ZINC001269907981 1184709176 /nfs/dbraw/zinc/70/91/76/1184709176.db2.gz IQJHDFDAPJGMPR-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCc1ccccc1 ZINC001270535348 1185155192 /nfs/dbraw/zinc/15/51/92/1185155192.db2.gz WWKACDKXQAAXMX-QGZVFWFLSA-N 2 0 331.504 2.303 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482299628 1185198106 /nfs/dbraw/zinc/19/81/06/1185198106.db2.gz RZSJXVCPOQIPSD-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325920 1185391981 /nfs/dbraw/zinc/39/19/81/1185391981.db2.gz NRPWPKBLCCNOND-LBPRGKRZSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F)CC1 ZINC001482346988 1185470093 /nfs/dbraw/zinc/47/00/93/1185470093.db2.gz DPCBYXUMSUZWGR-CYBMUJFWSA-N 2 0 337.430 2.496 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccnc1)C1CCCCC1 ZINC001482409296 1185636495 /nfs/dbraw/zinc/63/64/95/1185636495.db2.gz KYSQMPKNECMUAL-SFHVURJKSA-N 2 0 332.492 2.188 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091941 1185875034 /nfs/dbraw/zinc/87/50/34/1185875034.db2.gz HIUZSXLIBYFBJB-JEJOPICUSA-N 2 0 329.488 2.478 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001482457041 1185890011 /nfs/dbraw/zinc/89/00/11/1185890011.db2.gz VMSKWCTWUUCJPJ-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271161388 1186013090 /nfs/dbraw/zinc/01/30/90/1186013090.db2.gz CXKDQPTYZIBEMH-FCIQKIPGSA-N 2 0 327.900 2.297 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482479680 1186054699 /nfs/dbraw/zinc/05/46/99/1186054699.db2.gz CZYGSMUZDWRHOH-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001271677967 1186371078 /nfs/dbraw/zinc/37/10/78/1186371078.db2.gz PIJBYXKEUXDZDF-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001271700714 1186382597 /nfs/dbraw/zinc/38/25/97/1186382597.db2.gz SQZHTGWJZQFFGV-FUHWJXTLSA-N 2 0 333.520 2.347 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001271883673 1186578536 /nfs/dbraw/zinc/57/85/36/1186578536.db2.gz CQVJIWOHJQEGBD-ROUUACIJSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485823999 1193449930 /nfs/dbraw/zinc/44/99/30/1193449930.db2.gz FHCFMVZSJLQBFZ-OWQGQXMQSA-N 2 0 348.491 2.040 10 0 EEAERP CCCCOCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001272084823 1187542209 /nfs/dbraw/zinc/54/22/09/1187542209.db2.gz BAQZSQUWTBVBDG-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691538206 1187786366 /nfs/dbraw/zinc/78/63/66/1187786366.db2.gz HXSPRXOFUBYZKO-UHFFFAOYSA-N 2 0 338.521 2.120 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001482875850 1187795808 /nfs/dbraw/zinc/79/58/08/1187795808.db2.gz BPEUOUVGZRHNRU-IRXDYDNUSA-N 2 0 349.523 2.152 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482944758 1187874652 /nfs/dbraw/zinc/87/46/52/1187874652.db2.gz NTEIBTUWQMQQFT-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950161 1187890060 /nfs/dbraw/zinc/89/00/60/1187890060.db2.gz HOLNEVPRUUYYCU-INIZCTEOSA-N 2 0 347.503 2.284 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1sccc1Cl)C12CC[NH+](CC1)C2 ZINC001483083165 1188444604 /nfs/dbraw/zinc/44/46/04/1188444604.db2.gz DYSHWFIXBPDQKN-OWOJBTEDSA-N 2 0 339.892 2.259 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001483082123 1188445331 /nfs/dbraw/zinc/44/53/31/1188445331.db2.gz KWCFMHWEDGKHAX-PYTPGESOSA-N 2 0 329.488 2.407 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001483094189 1188462456 /nfs/dbraw/zinc/46/24/56/1188462456.db2.gz YXFHMSWRBATXRC-YATRRXNKSA-N 2 0 349.906 2.486 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[N@H+](C)C1CCC1 ZINC001272828562 1193566227 /nfs/dbraw/zinc/56/62/27/1193566227.db2.gz BVIQFOATKCZIKN-HNNXBMFYSA-N 2 0 345.487 2.186 10 0 EEAERP C[C@H](C[NH2+]Cc1ccncc1Cl)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483137277 1188687120 /nfs/dbraw/zinc/68/71/20/1188687120.db2.gz NOOAUUAJELSEPU-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCc1nccn1C ZINC001483151596 1188882463 /nfs/dbraw/zinc/88/24/63/1188882463.db2.gz NSEDQPDKAWGQMJ-KGLIPLIRSA-N 2 0 342.434 2.273 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001272873046 1193587833 /nfs/dbraw/zinc/58/78/33/1193587833.db2.gz FOJUMDINQPKPOE-FUHWJXTLSA-N 2 0 340.471 2.173 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001409351738 1189562106 /nfs/dbraw/zinc/56/21/06/1189562106.db2.gz DGEWUTLNULORAB-KBPBESRZSA-N 2 0 336.505 2.063 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001485908339 1193636344 /nfs/dbraw/zinc/63/63/44/1193636344.db2.gz QBQFZHRQQYCNQD-HZPDHXFCSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001483354508 1190391822 /nfs/dbraw/zinc/39/18/22/1190391822.db2.gz WBFROFAYINQGSU-IEBWSBKVSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H](C[N@H+](C)CCC1CCOCC1)NC(=O)C[C@H](C)n1ccnc1 ZINC001483392521 1190436486 /nfs/dbraw/zinc/43/64/86/1190436486.db2.gz ZNAAEAYJPQUVKO-CVEARBPZSA-N 2 0 336.480 2.087 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483441451 1190481928 /nfs/dbraw/zinc/48/19/28/1190481928.db2.gz ADMHSVRFWHUCHC-RDJZCZTQSA-N 2 0 348.491 2.094 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001483443368 1190482295 /nfs/dbraw/zinc/48/22/95/1190482295.db2.gz RIPDTOHIPMWXGW-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP CCc1nocc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001483562242 1190551717 /nfs/dbraw/zinc/55/17/17/1190551717.db2.gz ZPNJQYAPKAYHKG-QZTJIDSGSA-N 2 0 348.491 2.094 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1nccs1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001483568197 1190557478 /nfs/dbraw/zinc/55/74/78/1190557478.db2.gz BENWVOFOYBWKRP-OAHLLOKOSA-N 2 0 348.516 2.004 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC001483571446 1190560841 /nfs/dbraw/zinc/56/08/41/1190560841.db2.gz QPAVOYHDBMKXRZ-RTBURBONSA-N 2 0 345.487 2.164 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cncc(C)c1)CC2)[NH+](C)C ZINC001486147847 1193698605 /nfs/dbraw/zinc/69/86/05/1193698605.db2.gz QXDHHCBTGZJTKG-CMKODMSKSA-N 2 0 344.503 2.343 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001272642806 1190949824 /nfs/dbraw/zinc/94/98/24/1190949824.db2.gz XXLQIBOHWLZOQT-MRXNPFEDSA-N 2 0 333.451 2.250 10 0 EEAERP CC(C)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483801630 1191043301 /nfs/dbraw/zinc/04/33/01/1191043301.db2.gz KANVMTBPCYIYIV-FBVQUNGASA-N 2 0 337.508 2.007 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001483845826 1191081199 /nfs/dbraw/zinc/08/11/99/1191081199.db2.gz BQEYOKDSAJMWBS-OOYWPUHTSA-N 2 0 327.900 2.395 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cncs2)C[C@@H]1C ZINC001483914453 1191114532 /nfs/dbraw/zinc/11/45/32/1191114532.db2.gz AECTWRIYFZEAEW-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001483916531 1191115558 /nfs/dbraw/zinc/11/55/58/1191115558.db2.gz ADVMJMSQFFKPGX-IAGOWNOFSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484101370 1191210846 /nfs/dbraw/zinc/21/08/46/1191210846.db2.gz KJTPWIJPKXTWEZ-LJQANCHMSA-N 2 0 333.520 2.491 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cn3ccnc3)C2)o1 ZINC001484128263 1191224998 /nfs/dbraw/zinc/22/49/98/1191224998.db2.gz NSZRVOFUJUARMZ-GOSISDBHSA-N 2 0 345.447 2.023 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001484376576 1191321031 /nfs/dbraw/zinc/32/10/31/1191321031.db2.gz HFRJZMVRUUCPSF-GOEBONIOSA-N 2 0 337.895 2.476 10 0 EEAERP Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C3)oc1C ZINC001484391626 1191325789 /nfs/dbraw/zinc/32/57/89/1191325789.db2.gz VFJIJWQTEDQUCM-BJWYYQGGSA-N 2 0 348.491 2.102 10 0 EEAERP Cc1cccnc1C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001484581442 1191426167 /nfs/dbraw/zinc/42/61/67/1191426167.db2.gz FYCHZFHELCGKOU-UHFFFAOYSA-N 2 0 344.503 2.155 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001484678294 1191467088 /nfs/dbraw/zinc/46/70/88/1191467088.db2.gz JWSQIEIDYAHZOT-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484717083 1191481111 /nfs/dbraw/zinc/48/11/11/1191481111.db2.gz CUKDCVYFBBWVBH-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3nccn32)CC1 ZINC001484718044 1191481800 /nfs/dbraw/zinc/48/18/00/1191481800.db2.gz LZJUZLCINXQCCI-MRXNPFEDSA-N 2 0 344.459 2.345 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001484728171 1191487130 /nfs/dbraw/zinc/48/71/30/1191487130.db2.gz KLOKRQONPHDQKO-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cccc(OCC[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001484721639 1191491468 /nfs/dbraw/zinc/49/14/68/1191491468.db2.gz ATOMDCWUPGQCKD-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP CCC1([NH2+]CC[C@H]2CCCO2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484819055 1191539172 /nfs/dbraw/zinc/53/91/72/1191539172.db2.gz GDMZKLYBGNXUNO-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484907393 1191570322 /nfs/dbraw/zinc/57/03/22/1191570322.db2.gz VOGRNBVQCQMBBE-MJGOQNOKSA-N 2 0 341.499 2.152 10 0 EEAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(Cl)s1 ZINC001485001470 1191608355 /nfs/dbraw/zinc/60/83/55/1191608355.db2.gz OZEKSNOLRSAIPF-LBPRGKRZSA-N 2 0 341.908 2.482 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485054718 1191633481 /nfs/dbraw/zinc/63/34/81/1191633481.db2.gz FUSZLGXAUMYWKW-QZTJIDSGSA-N 2 0 339.524 2.207 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H]1CCCOC1 ZINC001485077224 1191645677 /nfs/dbraw/zinc/64/56/77/1191645677.db2.gz NWQKMEYCIGQBMU-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncsc1C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001485108327 1191657051 /nfs/dbraw/zinc/65/70/51/1191657051.db2.gz MIZYXEKUVZQPFG-ZBCRRDGASA-N 2 0 338.521 2.022 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185647 1191680491 /nfs/dbraw/zinc/68/04/91/1191680491.db2.gz IAODEQGJVGTILO-OLZOCXBDSA-N 2 0 339.430 2.289 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485206250 1191692872 /nfs/dbraw/zinc/69/28/72/1191692872.db2.gz IIPSJCHKAVOTIG-CHWSQXEVSA-N 2 0 326.872 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001485307693 1191727002 /nfs/dbraw/zinc/72/70/02/1191727002.db2.gz BNHPKCGSFOTKOX-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)sc1C ZINC001486240402 1193766657 /nfs/dbraw/zinc/76/66/57/1193766657.db2.gz LRBDWWNCWWRTSI-AWEZNQCLSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486240480 1193766761 /nfs/dbraw/zinc/76/67/61/1193766761.db2.gz LSULAPAQSNHBPK-HUUCEWRRSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccnc2)C(C)(C)C)CC[N@@H+]1C ZINC001486411531 1193919722 /nfs/dbraw/zinc/91/97/22/1193919722.db2.gz NPADEFISMOQFQP-RYQLBKOJSA-N 2 0 346.519 2.432 10 0 EEAERP CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001486445801 1193960621 /nfs/dbraw/zinc/96/06/21/1193960621.db2.gz MNSDMQBNSDEBSH-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001486451920 1193967318 /nfs/dbraw/zinc/96/73/18/1193967318.db2.gz CBQWNKSDWXSKRJ-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC=C(CNC(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC001486511253 1194028336 /nfs/dbraw/zinc/02/83/36/1194028336.db2.gz YTDSJOZEBAAHJL-UHFFFAOYSA-N 2 0 346.475 2.024 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520546 1194042255 /nfs/dbraw/zinc/04/22/55/1194042255.db2.gz DVHXBFFKZXGMRJ-PKOBYXMFSA-N 2 0 349.519 2.178 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1 ZINC001273051332 1194355896 /nfs/dbraw/zinc/35/58/96/1194355896.db2.gz BDNKTWQXUZHANC-HOCLYGCPSA-N 2 0 338.521 2.390 10 0 EEAERP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702047242 1195709968 /nfs/dbraw/zinc/70/99/68/1195709968.db2.gz AEMXTLSDTGHBCY-JENIJYKNSA-N 2 0 347.528 2.047 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]3C2)c1 ZINC001410179819 1197589577 /nfs/dbraw/zinc/58/95/77/1197589577.db2.gz HXUYQLFZYLGIFW-OTWHNJEPSA-N 2 0 344.503 2.058 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2F)C1)[NH+](C)C ZINC001410213109 1197606511 /nfs/dbraw/zinc/60/65/11/1197606511.db2.gz ZVACRGQBPSBPAK-PBFPGSCMSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCOCC1 ZINC001410393841 1197794298 /nfs/dbraw/zinc/79/42/98/1197794298.db2.gz ZOVDENJYFWIFRE-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCO[C@@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001273267816 1197895972 /nfs/dbraw/zinc/89/59/72/1197895972.db2.gz JEZQXOCQSZSMEB-SFHVURJKSA-N 2 0 349.519 2.178 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001410445100 1197912024 /nfs/dbraw/zinc/91/20/24/1197912024.db2.gz CSHZBRLXTQMPPI-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCO1 ZINC001273291835 1197962498 /nfs/dbraw/zinc/96/24/98/1197962498.db2.gz HCJPJKUNWHKPKA-GOSISDBHSA-N 2 0 342.443 2.103 10 0 EEAERP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000872155009 1198062541 /nfs/dbraw/zinc/06/25/41/1198062541.db2.gz JMAKGMJGGYIRBY-UKRRQHHQSA-N 2 0 332.444 2.144 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)CS(C)(=O)=O ZINC000872158034 1198065468 /nfs/dbraw/zinc/06/54/68/1198065468.db2.gz SAAUPAQRXXZQEY-HLLBOEOZSA-N 2 0 330.538 2.287 10 0 EEAERP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000865660926 1198321822 /nfs/dbraw/zinc/32/18/22/1198321822.db2.gz ZTYCGZCFFHZKRF-SXLOBPIMSA-N 2 0 345.531 2.474 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nc(-c3ccccc3)ns2)C[C@H]1C[NH+](C)C ZINC000866011245 1198453434 /nfs/dbraw/zinc/45/34/34/1198453434.db2.gz BDJYNEMWNLFLAB-HZPDHXFCSA-N 2 0 345.516 2.381 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cncc(-c3cccs3)n2)C[C@H]1C[NH+](C)C ZINC000866011360 1198454327 /nfs/dbraw/zinc/45/43/27/1198454327.db2.gz DIHSSGOCJGNFTM-HUUCEWRRSA-N 2 0 345.516 2.381 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1N(Cc1cscn1)CC2 ZINC001410893345 1198547734 /nfs/dbraw/zinc/54/77/34/1198547734.db2.gz GWHMHZRVIJWLFX-NVXWUHKLSA-N 2 0 336.505 2.098 10 0 EEAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C/Cl ZINC001411027902 1198707508 /nfs/dbraw/zinc/70/75/08/1198707508.db2.gz VQOQAARRYBVPKS-VFADXPBXSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](Cc2ccns2)CC1 ZINC001411230768 1198940562 /nfs/dbraw/zinc/94/05/62/1198940562.db2.gz QOSRTKLQBWMADN-CQSZACIVSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001411230387 1198940718 /nfs/dbraw/zinc/94/07/18/1198940718.db2.gz CLSCUIISIQNNNB-KGLIPLIRSA-N 2 0 335.414 2.107 10 0 EEAERP C[C@H]1CCC[C@H](C)C1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875339282 1199214688 /nfs/dbraw/zinc/21/46/88/1199214688.db2.gz GKLLGGSPURXYHW-MWDXBVQZSA-N 2 0 338.540 2.192 10 0 EEAERP COc1cnc(F)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000877621338 1199988557 /nfs/dbraw/zinc/98/85/57/1199988557.db2.gz UQGPCSZDMPSZEL-UHFFFAOYSA-N 2 0 337.439 2.210 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)C[C@H]1C[NH+](C)C ZINC000870020052 1200410992 /nfs/dbraw/zinc/41/09/92/1200410992.db2.gz ASJPIXWFBZEMNI-RTBURBONSA-N 2 0 343.515 2.207 10 0 EEAERP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870853163 1200912688 /nfs/dbraw/zinc/91/26/88/1200912688.db2.gz UCZKGFONEKCQTJ-GJZGRUSLSA-N 2 0 348.516 2.214 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870896769 1200938860 /nfs/dbraw/zinc/93/88/60/1200938860.db2.gz NUNLYKUKIVUHNL-QPIRBTGLSA-N 2 0 327.472 2.252 10 0 EEAERP C[N@@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CCC1(C)C ZINC000871155913 1201074523 /nfs/dbraw/zinc/07/45/23/1201074523.db2.gz HECAKLFSGOJKQG-UHFFFAOYSA-N 2 0 329.488 2.378 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866259472 1201478249 /nfs/dbraw/zinc/47/82/49/1201478249.db2.gz MXCJBLQWFOBZSW-HKUYNNGSSA-N 2 0 335.467 2.321 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000866558804 1201547995 /nfs/dbraw/zinc/54/79/95/1201547995.db2.gz VINYROXBWWOYIT-MISYRCLQSA-N 2 0 331.504 2.268 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000868741185 1201869825 /nfs/dbraw/zinc/86/98/25/1201869825.db2.gz WZSBVCZGKCJDAW-GOSISDBHSA-N 2 0 332.492 2.450 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1 ZINC000886231485 1202482729 /nfs/dbraw/zinc/48/27/29/1202482729.db2.gz FAAOAYLPAJSRSU-SFHVURJKSA-N 2 0 346.446 2.459 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001691730466 1204235833 /nfs/dbraw/zinc/23/58/33/1204235833.db2.gz DAWMHTHNMZCHNB-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1cc(C2CC2)no1 ZINC001274027193 1204335454 /nfs/dbraw/zinc/33/54/54/1204335454.db2.gz ULWCPAOADMZAAG-WHLIDYPQSA-N 2 0 346.475 2.187 10 0 EEAERP C[C@H]1CN(C(=O)CCc2cncn2C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001274289728 1204987638 /nfs/dbraw/zinc/98/76/38/1204987638.db2.gz PXXGEPOJQRMVHW-MAUKXSAKSA-N 2 0 332.492 2.370 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001274296680 1204988539 /nfs/dbraw/zinc/98/85/39/1204988539.db2.gz FMTFXCCYUKDKET-UKRRQHHQSA-N 2 0 338.883 2.012 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001274370607 1205012660 /nfs/dbraw/zinc/01/26/60/1205012660.db2.gz UMOXVMOWQHEHSP-VOTSOKGWSA-N 2 0 332.492 2.130 10 0 EEAERP C[C@H](C[NH2+]CC/C=C\c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001274986430 1205225866 /nfs/dbraw/zinc/22/58/66/1205225866.db2.gz RRHPFVBOWCCVMH-VWTAQGJOSA-N 2 0 327.472 2.280 10 0 EEAERP CC(C)COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275135064 1205264320 /nfs/dbraw/zinc/26/43/20/1205264320.db2.gz FQOKUWANJKUGHZ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001279194999 1205458113 /nfs/dbraw/zinc/45/81/13/1205458113.db2.gz VJOVZAIXXXLVPB-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001276047892 1205750613 /nfs/dbraw/zinc/75/06/13/1205750613.db2.gz HDXLYXMTSTZDMI-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H](CCNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+](C)Cc1ccccc1 ZINC001412637971 1205808425 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IHPSBTCOYJZIIZ-SZMVWBNQSA-N 2 0 345.487 2.464 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925512495 1206121266 /nfs/dbraw/zinc/12/12/66/1206121266.db2.gz DGXFMTJCULNEIK-YRPNKDGESA-N 2 0 343.515 2.254 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000925544421 1206125613 /nfs/dbraw/zinc/12/56/13/1206125613.db2.gz RAJKSQCWVSWIEC-ZWKOTPCHSA-N 3 0 345.535 2.089 10 0 EEAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563636 1206128760 /nfs/dbraw/zinc/12/87/60/1206128760.db2.gz OTGNUYCQEJBMDN-QRQLOZEOSA-N 2 0 336.451 2.323 10 0 EEAERP CC1(C)[C@H]([NH2+]CCCN2C(=O)COc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925575643 1206131083 /nfs/dbraw/zinc/13/10/83/1206131083.db2.gz SJQLZNOPDDWIKY-MDASCCDHSA-N 2 0 343.471 2.168 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925597375 1206134100 /nfs/dbraw/zinc/13/41/00/1206134100.db2.gz YSUXVOGPGSWNCY-VQTJNVASSA-N 2 0 342.531 2.448 10 0 EEAERP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777044 1206153108 /nfs/dbraw/zinc/15/31/08/1206153108.db2.gz BYPLCZHNHIJVRI-CHWSQXEVSA-N 2 0 341.402 2.247 10 0 EEAERP COC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C1CCCC1 ZINC000925817232 1206157248 /nfs/dbraw/zinc/15/72/48/1206157248.db2.gz NVXCNQICZQTEGH-HXUWFJFHSA-N 2 0 331.504 2.387 10 0 EEAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925854495 1206161262 /nfs/dbraw/zinc/16/12/62/1206161262.db2.gz RTQMWJPEMMCOOU-RKVPGOIHSA-N 2 0 346.471 2.462 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000926210030 1206204400 /nfs/dbraw/zinc/20/44/00/1206204400.db2.gz QPAWDZSGCPPXRZ-MZBDJJRSSA-N 2 0 343.393 2.495 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000929486277 1206480028 /nfs/dbraw/zinc/48/00/28/1206480028.db2.gz TUZFWLMTFZCPBS-HXUWFJFHSA-N 2 0 346.515 2.496 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOC1CCSCC1 ZINC000930059571 1206532172 /nfs/dbraw/zinc/53/21/72/1206532172.db2.gz FAYILHMHSNRVGK-HYVNUMGLSA-N 2 0 328.522 2.082 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930137338 1206537093 /nfs/dbraw/zinc/53/70/93/1206537093.db2.gz RQOFGPIUGRYCBZ-UUAJXVIYSA-N 2 0 327.463 2.236 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(CC[NH+]3CCCC3)C2)O1 ZINC000931704463 1207444507 /nfs/dbraw/zinc/44/45/07/1207444507.db2.gz POXHBRXPJBCBEF-PZJWPPBQSA-N 2 0 343.515 2.448 10 0 EEAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000718009694 1211700878 /nfs/dbraw/zinc/70/08/78/1211700878.db2.gz BUMXJCOFVGRIPT-KRWDZBQOSA-N 2 0 342.487 2.488 10 0 EEAERP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000902922546 1239099806 /nfs/dbraw/zinc/09/98/06/1239099806.db2.gz TYUKWQQWTYILGK-ZACQAIPSSA-N 2 0 327.513 2.016 10 0 EEAERP C[C@]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000903459047 1240529339 /nfs/dbraw/zinc/52/93/39/1240529339.db2.gz QTCDJRAPCOWKQA-RIEGTJTDSA-N 2 0 329.366 2.123 10 0 EEAERP C[C@@]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000903459046 1240529442 /nfs/dbraw/zinc/52/94/42/1240529442.db2.gz QTCDJRAPCOWKQA-DGFSRKRXSA-N 2 0 329.366 2.123 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](C)COCc1ccccc1)C2 ZINC000903494697 1240663913 /nfs/dbraw/zinc/66/39/13/1240663913.db2.gz LCMBWYDLRBUTPB-BOLBYERCSA-N 2 0 346.471 2.052 10 0 EEAERP CCOCCC1(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCC1 ZINC000903919879 1242494875 /nfs/dbraw/zinc/49/48/75/1242494875.db2.gz FWGKMVBXDNQEOO-INIZCTEOSA-N 2 0 335.496 2.279 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001490935363 1258491264 /nfs/dbraw/zinc/49/12/64/1258491264.db2.gz UKNMYJINIINQKL-XUXIUFHCSA-N 2 0 333.398 2.193 10 0 EEAERP 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DHIHPJCPMYFVFK-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCOCc2ccccc2)C1)[NH+](C)C ZINC001317984528 1332456631 /nfs/dbraw/zinc/45/66/31/1332456631.db2.gz FGTGCXBETIGGSJ-OALUTQOASA-N 2 0 347.503 2.124 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001318201108 1332486359 /nfs/dbraw/zinc/48/63/59/1332486359.db2.gz FXIBHXJDVOBLRJ-YESZJQIVSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001318830417 1332606371 /nfs/dbraw/zinc/60/63/71/1332606371.db2.gz FMPCYUNXRHAFDF-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001318855753 1332612459 /nfs/dbraw/zinc/61/24/59/1332612459.db2.gz XCVVJUHMGDHDAD-SFHVURJKSA-N 2 0 344.503 2.204 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)C1 ZINC001319111272 1332650809 /nfs/dbraw/zinc/65/08/09/1332650809.db2.gz FILJAJPLIGOXAB-PBHICJAKSA-N 2 0 331.451 2.139 10 0 EEAERP 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1332942887 /nfs/dbraw/zinc/94/28/87/1332942887.db2.gz DEHCEDHAPGVKAW-VQIMIIECSA-N 2 0 347.503 2.016 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320861983 1332966854 /nfs/dbraw/zinc/96/68/54/1332966854.db2.gz DVAHVTDVAAJSPO-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321056202 1333007306 /nfs/dbraw/zinc/00/73/06/1333007306.db2.gz CENUZSRVVHUJBK-JTGQJZMRSA-N 2 0 348.491 2.180 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001321280467 1333062699 /nfs/dbraw/zinc/06/26/99/1333062699.db2.gz MRWOVPAVDVTYCP-IHWYPQMZSA-N 2 0 333.451 2.320 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394126 1333094170 /nfs/dbraw/zinc/09/41/70/1333094170.db2.gz VVSLRXCLRNSKAO-HPFMTEOYSA-N 2 0 345.487 2.188 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1C ZINC001322441430 1333264177 /nfs/dbraw/zinc/26/41/77/1333264177.db2.gz BPMKUFBVAASTFM-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001322512481 1333274474 /nfs/dbraw/zinc/27/44/74/1333274474.db2.gz VJOZHOCXTSUPHM-GOEBONIOSA-N 2 0 343.462 2.202 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001322793033 1333327602 /nfs/dbraw/zinc/32/76/02/1333327602.db2.gz PWEHGXQJWCYPTQ-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cscn1)[NH+]1CCCC1 ZINC001322852474 1333341956 /nfs/dbraw/zinc/34/19/56/1333341956.db2.gz PDTWBHGUWDFTTO-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001323001108 1333367082 /nfs/dbraw/zinc/36/70/82/1333367082.db2.gz UYTNMORYSVXCOW-XUVXKRRUSA-N 2 0 343.515 2.444 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CC[NH+](C)C ZINC001324081940 1333604239 /nfs/dbraw/zinc/60/42/39/1333604239.db2.gz QMKFTYBRHRMBRE-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001324092082 1333607539 /nfs/dbraw/zinc/60/75/39/1333607539.db2.gz XZWFPUBHKQUDOG-WMLDXEAASA-N 2 0 336.480 2.184 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CCF ZINC001324213751 1333636469 /nfs/dbraw/zinc/63/64/69/1333636469.db2.gz RFRNBCJFAHJYAF-DLBZAZTESA-N 2 0 325.472 2.334 10 0 EEAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001325038264 1333815666 /nfs/dbraw/zinc/81/56/66/1333815666.db2.gz WHURKRNPCVOEEW-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001325454193 1333889155 /nfs/dbraw/zinc/88/91/55/1333889155.db2.gz DHNRUGMLWGHLGZ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325458132 1333890497 /nfs/dbraw/zinc/89/04/97/1333890497.db2.gz USLGYFROBLGXML-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP COCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001326384716 1334080764 /nfs/dbraw/zinc/08/07/64/1334080764.db2.gz TWSLENWZMYVSQB-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001326988883 1334197616 /nfs/dbraw/zinc/19/76/16/1334197616.db2.gz FAWQOTRBWNYXNF-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001326989677 1334198077 /nfs/dbraw/zinc/19/80/77/1334198077.db2.gz KJPQIMSJYNMOEC-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001329074364 1334579826 /nfs/dbraw/zinc/57/98/26/1334579826.db2.gz MUDXJGKYNHYPDA-NEPJUHHUSA-N 2 0 341.415 2.236 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001329255536 1334615556 /nfs/dbraw/zinc/61/55/56/1334615556.db2.gz FYLAENAJLLJTMA-ABHNRTSZSA-N 2 0 339.524 2.255 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOCC)CC1(C)C ZINC001330201698 1334801957 /nfs/dbraw/zinc/80/19/57/1334801957.db2.gz FSOOETILOQRJHF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(Cn1ccnc1)NC[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001330363060 1334829955 /nfs/dbraw/zinc/82/99/55/1334829955.db2.gz IKAVWRGEKROECA-NNZMDNLPSA-N 2 0 328.460 2.068 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cc(C)no1 ZINC001330986478 1334941110 /nfs/dbraw/zinc/94/11/10/1334941110.db2.gz DEJRNUGYFIVMNR-RHSMWYFYSA-N 2 0 336.480 2.232 10 0 EEAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001331074048 1334958048 /nfs/dbraw/zinc/95/80/48/1334958048.db2.gz IJXUUNCXGZTOBT-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001331458135 1335017625 /nfs/dbraw/zinc/01/76/25/1335017625.db2.gz ZWJOPMLAZZUPTM-XOKHGSTOSA-N 2 0 336.455 2.388 10 0 EEAERP CC[NH+](CC)CCCCNC(=O)[C@@]1(N(C)C)COc2ccccc2C1 ZINC001347650098 1337517425 /nfs/dbraw/zinc/51/74/25/1337517425.db2.gz IKCPGXWUGBDXCX-FQEVSTJZSA-N 2 0 347.503 2.160 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCOc1ccccc1 ZINC001480525583 1338296613 /nfs/dbraw/zinc/29/66/13/1338296613.db2.gz KRCHNCMKBLMMDM-SQNIBIBYSA-N 2 0 347.503 2.280 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001433754717 1341679439 /nfs/dbraw/zinc/67/94/39/1341679439.db2.gz UXXUERDWIXGJPN-OAHLLOKOSA-N 2 0 325.472 2.334 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214846 1355900594 /nfs/dbraw/zinc/90/05/94/1355900594.db2.gz QLMRPBLVITYKIM-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)(O)[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001434465306 1341849929 /nfs/dbraw/zinc/84/99/29/1341849929.db2.gz GZYRHSWFVHBVDT-GOSISDBHSA-N 2 0 332.488 2.106 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001502742283 1342227761 /nfs/dbraw/zinc/22/77/61/1342227761.db2.gz UMNLUCUZAUICJO-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001505716557 1342238627 /nfs/dbraw/zinc/23/86/27/1342238627.db2.gz IOCJSIAIVAHQFA-IRXDYDNUSA-N 2 0 349.523 2.179 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1)[NH+](C)C ZINC001566724223 1342613947 /nfs/dbraw/zinc/61/39/47/1342613947.db2.gz DYEBWJRHINULCF-GJZGRUSLSA-N 2 0 338.883 2.060 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962783 1342666763 /nfs/dbraw/zinc/66/67/63/1342666763.db2.gz LUNDPFOMQMJWLF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001570235598 1343039183 /nfs/dbraw/zinc/03/91/83/1343039183.db2.gz FCAKXSRLUIYVFC-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001571007393 1343148221 /nfs/dbraw/zinc/14/82/21/1343148221.db2.gz FBGAYUJUDIKZSR-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP COCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676423337 1357148855 /nfs/dbraw/zinc/14/88/55/1357148855.db2.gz DIDQQBPWFKNEGV-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001676668663 1357177840 /nfs/dbraw/zinc/17/78/40/1357177840.db2.gz NMGPQUKVLSEEOG-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001677033050 1357266461 /nfs/dbraw/zinc/26/64/61/1357266461.db2.gz RBUKDKFVACICGQ-SFHVURJKSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677263700 1357304524 /nfs/dbraw/zinc/30/45/24/1357304524.db2.gz XMFXGUHZBYLNNE-GJZGRUSLSA-N 2 0 327.488 2.483 10 0 EEAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001677562230 1357356898 /nfs/dbraw/zinc/35/68/98/1357356898.db2.gz FWEQVULKEHLUGW-GNAXCBTBSA-N 2 0 331.504 2.433 10 0 EEAERP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CC[N@@H+]1C1CCCC1 ZINC001646993129 1353094613 /nfs/dbraw/zinc/09/46/13/1353094613.db2.gz LOMDVRDAPNMDQO-HNNXBMFYSA-N 2 0 330.476 2.232 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(F)cc1 ZINC001647226463 1353198047 /nfs/dbraw/zinc/19/80/47/1353198047.db2.gz ICFWLRLSLKZQNJ-SCTDSRPQSA-N 2 0 348.466 2.260 10 0 EEAERP CCOCCOCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001655628106 1354180627 /nfs/dbraw/zinc/18/06/27/1354180627.db2.gz PZPRURJVKOYRQQ-UXHICEINSA-N 2 0 332.488 2.493 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)C[C@H]1CCCOC1 ZINC001660322996 1354440354 /nfs/dbraw/zinc/44/03/54/1354440354.db2.gz YZMLOXLUYVIVTH-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001661427303 1354637647 /nfs/dbraw/zinc/63/76/47/1354637647.db2.gz SILAJVVFWXAHJK-UFYCRDLUSA-N 2 0 341.499 2.198 10 0 EEAERP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001661441197 1354639378 /nfs/dbraw/zinc/63/93/78/1354639378.db2.gz NHXNJUNXVGCSRJ-BZUAXINKSA-N 2 0 339.524 2.037 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccccc3Cl)C2)C1 ZINC001661686032 1354672193 /nfs/dbraw/zinc/67/21/93/1354672193.db2.gz DUXDLFVJZPOACF-YESZJQIVSA-N 2 0 349.906 2.461 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001663928016 1355054993 /nfs/dbraw/zinc/05/49/93/1355054993.db2.gz OTSMBMIEHXEIHN-SFHVURJKSA-N 2 0 332.492 2.119 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)C1CC[NH+](C)CC1 ZINC001664160954 1355104530 /nfs/dbraw/zinc/10/45/30/1355104530.db2.gz UVVDRTRGCZXZPL-UHFFFAOYSA-N 2 0 341.858 2.369 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001666134907 1355462580 /nfs/dbraw/zinc/46/25/80/1355462580.db2.gz IJYSSXTZNQNMAT-CRAIPNDOSA-N 2 0 348.466 2.033 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001667286372 1355699163 /nfs/dbraw/zinc/69/91/63/1355699163.db2.gz YNYNWEORPOHWPJ-OAHLLOKOSA-N 2 0 336.480 2.050 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001668201897 1355898393 /nfs/dbraw/zinc/89/83/93/1355898393.db2.gz AQVJWXIKJHRVER-CZUORRHYSA-N 2 0 340.899 2.306 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001668326569 1355924036 /nfs/dbraw/zinc/92/40/36/1355924036.db2.gz SBSYESBLAXGKGO-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001668453777 1355944239 /nfs/dbraw/zinc/94/42/39/1355944239.db2.gz YXYFCJCBGNGWKK-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833443 1356015431 /nfs/dbraw/zinc/01/54/31/1356015431.db2.gz HZEKNBPDGANOMZ-PGFQARHSSA-N 2 0 333.451 2.236 10 0 EEAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001668929399 1356047677 /nfs/dbraw/zinc/04/76/77/1356047677.db2.gz GVILASYBZQOEIM-FOSCPCJNSA-N 2 0 327.432 2.189 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001669150667 1356107981 /nfs/dbraw/zinc/10/79/81/1356107981.db2.gz KPFMJOSCYYSKJR-ZMBJWTFHSA-N 2 0 345.487 2.065 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001669189281 1356120712 /nfs/dbraw/zinc/12/07/12/1356120712.db2.gz LUMLUFBCVXMPIW-OWOJBTEDSA-N 2 0 337.414 2.482 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670095208 1356273945 /nfs/dbraw/zinc/27/39/45/1356273945.db2.gz CKQJWYHQGKNBLB-VQTJNVASSA-N 2 0 341.499 2.454 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CCC1 ZINC001673201708 1356653809 /nfs/dbraw/zinc/65/38/09/1356653809.db2.gz KFAQCJRSCUFTOF-UHFFFAOYSA-N 2 0 338.883 2.205 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001673929266 1356761738 /nfs/dbraw/zinc/76/17/38/1356761738.db2.gz QWNHCVBLSMWLPV-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001698701492 1405019047 /nfs/dbraw/zinc/01/90/47/1405019047.db2.gz QNIONFAMMHUYJD-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001698919654 1405161512 /nfs/dbraw/zinc/16/15/12/1405161512.db2.gz DMRQVEWKQSACPQ-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CCc1cncn1C ZINC001699549348 1405384402 /nfs/dbraw/zinc/38/44/02/1405384402.db2.gz DIDHDMOOWHUGKA-UHFFFAOYSA-N 2 0 349.504 2.064 10 0 EEAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)O1 ZINC000925835370 779064286 /nfs/dbraw/zinc/06/42/86/779064286.db2.gz SHWVXTLYGDCVHG-RYPNDVFKSA-N 2 0 336.398 2.233 10 0 EEAERP CSc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+](C)C)cc1 ZINC000908456481 785446117 /nfs/dbraw/zinc/44/61/17/785446117.db2.gz DRWWJJYMBTYPEX-INIZCTEOSA-N 2 0 333.501 2.223 10 0 EEAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C12CCC2 ZINC000912603162 788261704 /nfs/dbraw/zinc/26/17/04/788261704.db2.gz YEDCMYNSEQMTGM-IAGOWNOFSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000913276808 788752505 /nfs/dbraw/zinc/75/25/05/788752505.db2.gz MORGSYVAKNPMNB-PMACEKPBSA-N 2 0 329.488 2.205 10 0 EEAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000844159357 788905107 /nfs/dbraw/zinc/90/51/07/788905107.db2.gz AHNJYRLEQIADMK-KRWDZBQOSA-N 2 0 327.403 2.306 10 0 EEAERP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)C(=O)Nc1ccccc1 ZINC000923311320 789370404 /nfs/dbraw/zinc/37/04/04/789370404.db2.gz UTGQQDLZGNWUQN-NVXWUHKLSA-N 2 0 331.460 2.104 10 0 EEAERP C(C[NH+]1CCCC1)OC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923328157 789372482 /nfs/dbraw/zinc/37/24/82/789372482.db2.gz XSWYVQNTNOOXQP-YQQQUEKLSA-N 3 0 335.536 2.484 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000923346225 789424232 /nfs/dbraw/zinc/42/42/32/789424232.db2.gz WCQQVSDVNRIDCH-ZCNNSNEGSA-N 2 0 332.488 2.464 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000923452416 789585271 /nfs/dbraw/zinc/58/52/71/789585271.db2.gz GSMFORHQUOWXMV-SFHVURJKSA-N 2 0 326.444 2.202 10 0 EEAERP C[C@@H]1CN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC[C@@H]1C[NH3+] ZINC000923501447 789686307 /nfs/dbraw/zinc/68/63/07/789686307.db2.gz ZMXKLOOHYGLBGD-GHMZBOCLSA-N 2 0 332.473 2.302 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923509276 789695022 /nfs/dbraw/zinc/69/50/22/789695022.db2.gz PBXBULNQCUBYPC-NEPJUHHUSA-N 2 0 345.365 2.440 10 0 EEAERP CCN1CCO[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716680755 796442361 /nfs/dbraw/zinc/44/23/61/796442361.db2.gz UJUWANVDZSRKFL-WOZUAGRISA-N 2 0 343.515 2.350 10 0 EEAERP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000921940324 798247595 /nfs/dbraw/zinc/24/75/95/798247595.db2.gz QWFJPWLGXUUMHT-OAGGEKHMSA-N 2 0 329.554 2.343 10 0 EEAERP C[C@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000922639488 801562505 /nfs/dbraw/zinc/56/25/05/801562505.db2.gz OAGQQOWKSIMQRD-GXFFZTMASA-N 2 0 328.359 2.194 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1CC[NH2+]CCF ZINC001565943028 1125468919 /nfs/dbraw/zinc/46/89/19/1125468919.db2.gz KIYDQLHFPDWUTR-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOCC(C)C)C1)[NH+](C)C ZINC001566075232 1125547285 /nfs/dbraw/zinc/54/72/85/1125547285.db2.gz JDTLFNUKUMKOAM-MSOLQXFVSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cncs1 ZINC001566498563 1125665974 /nfs/dbraw/zinc/66/59/74/1125665974.db2.gz KGTSHIREKGKOQU-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1conc1C ZINC001566566602 1125744469 /nfs/dbraw/zinc/74/44/69/1125744469.db2.gz GWFMNSQMDGFZGE-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+](C)C)cc1 ZINC001436430701 1087798719 /nfs/dbraw/zinc/79/87/19/1087798719.db2.gz GXXKRVAAOSLAHP-AEFFLSMTSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001436480798 1087962493 /nfs/dbraw/zinc/96/24/93/1087962493.db2.gz USDZCBQRBUDUJM-SJORKVTESA-N 2 0 349.523 2.074 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001436904830 1088562069 /nfs/dbraw/zinc/56/20/69/1088562069.db2.gz VQVNFGLWRRBIQO-QAQDUYKDSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccc2c(c1)CCC2 ZINC001436910195 1088565081 /nfs/dbraw/zinc/56/50/81/1088565081.db2.gz MTIFBCJGXQDJJN-NIKGAXFTSA-N 2 0 329.488 2.425 10 0 EEAERP CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001436965593 1088656353 /nfs/dbraw/zinc/65/63/53/1088656353.db2.gz ITIMKMQZBRLCMV-HDICACEKSA-N 2 0 329.488 2.328 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+](CCF)C1)c1ccccc1 ZINC001437015898 1088801208 /nfs/dbraw/zinc/80/12/08/1088801208.db2.gz YCDRHXOABCHRMI-SJLPKXTDSA-N 2 0 335.467 2.477 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001437233765 1089329454 /nfs/dbraw/zinc/32/94/54/1089329454.db2.gz GGFAQKZNDWQAJY-SJKOYZFVSA-N 2 0 349.425 2.142 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001437312086 1089469741 /nfs/dbraw/zinc/46/97/41/1089469741.db2.gz QMCMXIJOUDBZLE-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCF)C1 ZINC001437339722 1089533061 /nfs/dbraw/zinc/53/30/61/1089533061.db2.gz WUVUTZFDCARUFE-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001437423080 1089709582 /nfs/dbraw/zinc/70/95/82/1089709582.db2.gz PRTPKXQVASHDIL-QAPCUYQASA-N 2 0 340.471 2.171 10 0 EEAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCc1ccccc1Cl ZINC001437542777 1089996335 /nfs/dbraw/zinc/99/63/35/1089996335.db2.gz VAQIIPFSVPAQQH-HNNXBMFYSA-N 2 0 337.895 2.272 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001437542856 1089997940 /nfs/dbraw/zinc/99/79/40/1089997940.db2.gz WARZKQMRMCMMAP-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP Cc1ccccc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437673216 1090202536 /nfs/dbraw/zinc/20/25/36/1090202536.db2.gz ALAZAJHQPGJJDE-VQIMIIECSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001437723250 1090276282 /nfs/dbraw/zinc/27/62/82/1090276282.db2.gz DPJJKZQRTPLYTA-AZUAARDMSA-N 2 0 343.515 2.317 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001437739925 1090301829 /nfs/dbraw/zinc/30/18/29/1090301829.db2.gz WSQPLJLOMNXETC-SJORKVTESA-N 2 0 333.451 2.106 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cncs2)C1)[NH+](C)C ZINC001437939478 1090532727 /nfs/dbraw/zinc/53/27/27/1090532727.db2.gz KVTOZBSBGSZEBD-GOEBONIOSA-N 2 0 338.521 2.058 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCOC(C)C)C1 ZINC001437986718 1090579890 /nfs/dbraw/zinc/57/98/90/1090579890.db2.gz HPXPKUJMHYAFKM-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001438331215 1090805989 /nfs/dbraw/zinc/80/59/89/1090805989.db2.gz ONISPQYZYZNUAT-UKRRQHHQSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438334192 1090809487 /nfs/dbraw/zinc/80/94/87/1090809487.db2.gz CSIQOWLDMXJNSC-MJGOQNOKSA-N 2 0 346.519 2.221 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001438373778 1090853578 /nfs/dbraw/zinc/85/35/78/1090853578.db2.gz UWTSFHSUPMUTBW-RYUDHWBXSA-N 2 0 329.897 2.338 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccns2)CCCC1 ZINC001438404968 1090891510 /nfs/dbraw/zinc/89/15/10/1090891510.db2.gz SQPUZGYCSBWEPJ-HNNXBMFYSA-N 2 0 336.505 2.146 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438639263 1091120615 /nfs/dbraw/zinc/12/06/15/1091120615.db2.gz FVYUDIPOFXWXNV-IIDMSEBBSA-N 2 0 335.467 2.433 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445650673 1091439542 /nfs/dbraw/zinc/43/95/42/1091439542.db2.gz WLEAZRHWSYAEOS-HOTGVXAUSA-N 2 0 340.471 2.171 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001438856607 1091491745 /nfs/dbraw/zinc/49/17/45/1091491745.db2.gz SUDWWNBUANLFRX-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1cncc(CN(C)CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001438931795 1091612396 /nfs/dbraw/zinc/61/23/96/1091612396.db2.gz KHCRYDLREKJDDL-RBUKOAKNSA-N 2 0 346.519 2.401 10 0 EEAERP Cc1cncc(CN(C)CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001438931793 1091612936 /nfs/dbraw/zinc/61/29/36/1091612936.db2.gz KHCRYDLREKJDDL-OALUTQOASA-N 2 0 346.519 2.401 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439154009 1091796779 /nfs/dbraw/zinc/79/67/79/1091796779.db2.gz MWTVNRZCTBQGBI-KGLIPLIRSA-N 2 0 333.467 2.494 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001439181124 1091828075 /nfs/dbraw/zinc/82/80/75/1091828075.db2.gz AVQJDYZYDKMVRO-APWZRJJASA-N 2 0 346.519 2.413 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c1C ZINC001439221484 1091865708 /nfs/dbraw/zinc/86/57/08/1091865708.db2.gz DBNHAVZPTPWVHI-MAUKXSAKSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C2CC2)on1 ZINC001445958020 1091904196 /nfs/dbraw/zinc/90/41/96/1091904196.db2.gz NVVYJTSDOIAQHF-MSOLQXFVSA-N 2 0 348.491 2.088 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC001446023570 1092013287 /nfs/dbraw/zinc/01/32/87/1092013287.db2.gz YVUMQTZFIXNVCE-PKOBYXMFSA-N 2 0 346.519 2.367 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001439536416 1092395809 /nfs/dbraw/zinc/39/58/09/1092395809.db2.gz IODPGJBMWBIMRN-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001446279197 1092430307 /nfs/dbraw/zinc/43/03/07/1092430307.db2.gz SWAPKEYOYMXANI-KRWDZBQOSA-N 2 0 331.435 2.147 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001439830574 1092821156 /nfs/dbraw/zinc/82/11/56/1092821156.db2.gz PACJSYBRPCLASH-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001440137971 1093202791 /nfs/dbraw/zinc/20/27/91/1093202791.db2.gz RNHBDCNRLFKBAK-HOCLYGCPSA-N 2 0 348.491 2.078 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001440197187 1093267642 /nfs/dbraw/zinc/26/76/42/1093267642.db2.gz WTWDIXIKDIIQDE-KSZLIROESA-N 2 0 339.524 2.063 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001440409806 1093603588 /nfs/dbraw/zinc/60/35/88/1093603588.db2.gz ZDLBFFIZQMHMMO-GVDBMIGSSA-N 2 0 327.488 2.485 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ocnc1C)C1CC1 ZINC001448591812 1093651358 /nfs/dbraw/zinc/65/13/58/1093651358.db2.gz ZXYDDUIGHQUJRA-SJORKVTESA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccsc4)CC[C@@H]3C2)CC1 ZINC001440451093 1093664311 /nfs/dbraw/zinc/66/43/11/1093664311.db2.gz OISRPXHPNATGJC-SJORKVTESA-N 2 0 347.528 2.370 10 0 EEAERP CC(C)CCCN1CC2(C1)C[C@@H](NC(=O)C[C@H](C)n1ccnc1)CO2 ZINC001440510833 1093756553 /nfs/dbraw/zinc/75/65/53/1093756553.db2.gz NWJBLQDFMMWFIS-DLBZAZTESA-N 2 0 348.491 2.230 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001448733075 1093804797 /nfs/dbraw/zinc/80/47/97/1093804797.db2.gz ZRWYJJJSBYXEOL-KBXCAEBGSA-N 2 0 327.488 2.436 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)ccc1C ZINC001448774495 1093852838 /nfs/dbraw/zinc/85/28/38/1093852838.db2.gz JSHGLJJENBVKBA-MRXNPFEDSA-N 2 0 335.492 2.280 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1cncs1 ZINC001440655890 1093929204 /nfs/dbraw/zinc/92/92/04/1093929204.db2.gz YZKMMRQQYLXQIB-KGLIPLIRSA-N 2 0 336.505 2.097 10 0 EEAERP C[C@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001440756222 1093999310 /nfs/dbraw/zinc/99/93/10/1093999310.db2.gz IVSDUSLIIRANHL-OPFPJEHXSA-N 2 0 339.430 2.462 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001440764615 1094004412 /nfs/dbraw/zinc/00/44/12/1094004412.db2.gz WPGBOSZGRWUHJA-UHFFFAOYSA-N 2 0 339.430 2.289 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449021580 1094026633 /nfs/dbraw/zinc/02/66/33/1094026633.db2.gz UZFHAJBYDMFYRZ-MJGOQNOKSA-N 2 0 348.491 2.190 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnoc3C)[C@H]2C1 ZINC001449026437 1094034473 /nfs/dbraw/zinc/03/44/73/1094034473.db2.gz BHARVMFWJDNMMS-SZMVWBNQSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001449029774 1094038876 /nfs/dbraw/zinc/03/88/76/1094038876.db2.gz LUTZTJMYHFVBGC-SJLPKXTDSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001449046424 1094061853 /nfs/dbraw/zinc/06/18/53/1094061853.db2.gz CNFWVGHSJBHDBA-LSDHHAIUSA-N 2 0 338.521 2.086 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001440845425 1094103314 /nfs/dbraw/zinc/10/33/14/1094103314.db2.gz DZWNSAVOZTWUIX-STQMWFEESA-N 2 0 341.883 2.370 10 0 EEAERP Cc1ncc(C[NH2+]C2CCC(N(C)C(=O)CCC[NH+](C)C)CC2)o1 ZINC001440859677 1094121198 /nfs/dbraw/zinc/12/11/98/1094121198.db2.gz PMSKRGFBCVIFOT-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC001440860898 1094123021 /nfs/dbraw/zinc/12/30/21/1094123021.db2.gz QQOCYHBZRYQOQG-HUUCEWRRSA-N 2 0 337.895 2.461 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001440932489 1094185256 /nfs/dbraw/zinc/18/52/56/1094185256.db2.gz JSTHDGLHEMHSPI-QFBILLFUSA-N 2 0 347.503 2.254 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001441001478 1094273987 /nfs/dbraw/zinc/27/39/87/1094273987.db2.gz RLDTVRWGQWSUEO-HOCLYGCPSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449325086 1094277310 /nfs/dbraw/zinc/27/73/10/1094277310.db2.gz IZMQIAVLPFTBDA-AEFFLSMTSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1ccc(C)c(OCC[NH+](C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001441011261 1094288840 /nfs/dbraw/zinc/28/88/40/1094288840.db2.gz LOJSBXUTHKFTIL-ROUUACIJSA-N 2 0 347.503 2.070 10 0 EEAERP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001449353833 1094316050 /nfs/dbraw/zinc/31/60/50/1094316050.db2.gz LDOHWYYSMWXXGG-CQSZACIVSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)OCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001449406612 1094388426 /nfs/dbraw/zinc/38/84/26/1094388426.db2.gz AVDLBCZYGMCXJG-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)CC1(C)C)C1CCC1 ZINC001441236011 1094620812 /nfs/dbraw/zinc/62/08/12/1094620812.db2.gz AGLYYYPXNBBPOB-OAHLLOKOSA-N 2 0 343.462 2.343 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CC1 ZINC001441254525 1094652041 /nfs/dbraw/zinc/65/20/41/1094652041.db2.gz JVRIMNZMKZBCAE-HZPDHXFCSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3ccnc3)C2)oc1C ZINC001441368534 1094894662 /nfs/dbraw/zinc/89/46/62/1094894662.db2.gz KWBKQSYWJHDRNJ-DAXOMENPSA-N 2 0 345.447 2.124 10 0 EEAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001441391533 1094952661 /nfs/dbraw/zinc/95/26/61/1094952661.db2.gz ZVPNBCLPPSOIJG-HNNXBMFYSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1cccnc1C[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001441665835 1095636508 /nfs/dbraw/zinc/63/65/08/1095636508.db2.gz YMMQJBBVEZQTAG-MSOLQXFVSA-N 2 0 344.503 2.203 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC001441743896 1095733158 /nfs/dbraw/zinc/73/31/58/1095733158.db2.gz SJNFIWNKXXRDPQ-UHFFFAOYSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001441889618 1096024517 /nfs/dbraw/zinc/02/45/17/1096024517.db2.gz ZEVHLXNGZWJGIF-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001441980538 1096184429 /nfs/dbraw/zinc/18/44/29/1096184429.db2.gz LNPWUYJJSDDKTL-IAGOWNOFSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001442010827 1096215813 /nfs/dbraw/zinc/21/58/13/1096215813.db2.gz OJTMHKGQPWBADM-TZMCWYRMSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CC(C)(C)CO1)C(=O)C[NH+](C)C(C)C ZINC001442123499 1096360464 /nfs/dbraw/zinc/36/04/64/1096360464.db2.gz BKQKTQLGOHKQRQ-QGZVFWFLSA-N 2 0 341.540 2.311 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001442142730 1096390165 /nfs/dbraw/zinc/39/01/65/1096390165.db2.gz MUWGYEUYZOJEDL-KDOFPFPSSA-N 2 0 333.451 2.203 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001442253670 1096555048 /nfs/dbraw/zinc/55/50/48/1096555048.db2.gz BWQLVKKYMWROOE-OAHLLOKOSA-N 2 0 348.491 2.097 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001442277368 1096587000 /nfs/dbraw/zinc/58/70/00/1096587000.db2.gz XKPZUHTUDLCOKS-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001442333626 1096655851 /nfs/dbraw/zinc/65/58/51/1096655851.db2.gz HJZCYKCNWTXFGO-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001442340642 1096663682 /nfs/dbraw/zinc/66/36/82/1096663682.db2.gz SOEUFBYNMPWSOY-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442847074 1097237706 /nfs/dbraw/zinc/23/77/06/1097237706.db2.gz NFGMYSKJYZIRDY-GOSISDBHSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001479526116 1098593236 /nfs/dbraw/zinc/59/32/36/1098593236.db2.gz PGKXZTOTZSCVCE-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1Cc1ncccc1C ZINC001479636611 1098663770 /nfs/dbraw/zinc/66/37/70/1098663770.db2.gz AKVKTPHHCVAQOP-FUHWJXTLSA-N 2 0 344.503 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001444144241 1098683866 /nfs/dbraw/zinc/68/38/66/1098683866.db2.gz VOAHHKTVHBPFAB-HNAYVOBHSA-N 2 0 333.451 2.152 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001479691161 1098754051 /nfs/dbraw/zinc/75/40/51/1098754051.db2.gz XDYOZDBDMBFFSM-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cn1nccc1C[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001479694098 1098760749 /nfs/dbraw/zinc/76/07/49/1098760749.db2.gz LGSVDYVXGFNPDY-KRWDZBQOSA-N 2 0 349.523 2.013 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001444240660 1098803292 /nfs/dbraw/zinc/80/32/92/1098803292.db2.gz NYDFMJDMPNEBOK-MSOLQXFVSA-N 2 0 335.467 2.447 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(F)ccc1F ZINC001479839491 1099126240 /nfs/dbraw/zinc/12/62/40/1099126240.db2.gz SPJGFDIZDDRGBU-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001479894972 1099273528 /nfs/dbraw/zinc/27/35/28/1099273528.db2.gz AJCGLRDDFFFSHP-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001480020406 1099498769 /nfs/dbraw/zinc/49/87/69/1099498769.db2.gz HRRFOIFFRMNLNR-PMACEKPBSA-N 2 0 341.499 2.321 10 0 EEAERP O=C(NC[C@H]([NH2+]CCCF)C1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480023334 1099504463 /nfs/dbraw/zinc/50/44/63/1099504463.db2.gz MIMZLOIYVHVLON-IRXDYDNUSA-N 2 0 325.472 2.237 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CCc2cccs2)C2CC2)C1 ZINC001480060748 1099587635 /nfs/dbraw/zinc/58/76/35/1099587635.db2.gz VNSLPNIQEZQJLX-WMLDXEAASA-N 2 0 335.517 2.117 10 0 EEAERP Cc1ncccc1C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480087762 1099644952 /nfs/dbraw/zinc/64/49/52/1099644952.db2.gz QIZHAXINYRQZTG-SFHVURJKSA-N 2 0 346.519 2.401 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001480120132 1099684588 /nfs/dbraw/zinc/68/45/88/1099684588.db2.gz GUGHRPKDWQHGOB-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@H]1CCOC1)C1CCCCC1 ZINC001444785336 1099693821 /nfs/dbraw/zinc/69/38/21/1099693821.db2.gz KMRKTPHPMGKOGR-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001480231841 1099857925 /nfs/dbraw/zinc/85/79/25/1099857925.db2.gz LTTLZASKJFGCJY-OKILXGFUSA-N 2 0 339.430 2.434 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480301831 1100019165 /nfs/dbraw/zinc/01/91/65/1100019165.db2.gz ZYNWHJFSAPFCMF-PMACEKPBSA-N 2 0 343.515 2.399 10 0 EEAERP CCc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001444935174 1100040426 /nfs/dbraw/zinc/04/04/26/1100040426.db2.gz RAXIBRLEXUCPJP-RTBURBONSA-N 2 0 331.504 2.431 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001480350769 1100120670 /nfs/dbraw/zinc/12/06/70/1100120670.db2.gz BARNIZISFJNDJM-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001445026072 1100188314 /nfs/dbraw/zinc/18/83/14/1100188314.db2.gz IOENIDVLWNFEQD-INIZCTEOSA-N 2 0 347.503 2.488 10 0 EEAERP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@@H](C)Cc3c[nH]cn3)CC2)on1 ZINC001480409397 1100224947 /nfs/dbraw/zinc/22/49/47/1100224947.db2.gz LNVXRHDIQPZMFQ-GRTSSRMGSA-N 2 0 345.447 2.102 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001480480327 1100288833 /nfs/dbraw/zinc/28/88/33/1100288833.db2.gz QQORCKKJUYVCQU-NVXWUHKLSA-N 2 0 333.476 2.164 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncs1)c1ccccc1 ZINC001480569430 1100412981 /nfs/dbraw/zinc/41/29/81/1100412981.db2.gz IQPZINQKERUTBE-RHSMWYFYSA-N 2 0 346.500 2.430 10 0 EEAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCCc1ccsc1 ZINC001480581220 1100427845 /nfs/dbraw/zinc/42/78/45/1100427845.db2.gz XWLJPOJRCURZQB-QAPCUYQASA-N 2 0 335.517 2.261 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001445316310 1100551376 /nfs/dbraw/zinc/55/13/76/1100551376.db2.gz OHIAHCMPZKCQOK-GOEBONIOSA-N 2 0 349.523 2.308 10 0 EEAERP CCN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)C[NH+]1CCCC1 ZINC001445330361 1100566796 /nfs/dbraw/zinc/56/67/96/1100566796.db2.gz MCRQYABZTCKPRS-SFHVURJKSA-N 2 0 333.451 2.347 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001496252261 1100820767 /nfs/dbraw/zinc/82/07/67/1100820767.db2.gz XNQWPOSQNZYFPB-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1cccc(OCC[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001446468580 1100891352 /nfs/dbraw/zinc/89/13/52/1100891352.db2.gz DBNMAPZMHPYWCY-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001446554031 1101027317 /nfs/dbraw/zinc/02/73/17/1101027317.db2.gz DRJZLANZRHLRAC-FXAWDEMLSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001446567392 1101051197 /nfs/dbraw/zinc/05/11/97/1101051197.db2.gz GNAQKJHBAQBKDP-ICSRJNTNSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001496462474 1101053211 /nfs/dbraw/zinc/05/32/11/1101053211.db2.gz QKHUNTKPGKTJSV-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001495382012 1101101724 /nfs/dbraw/zinc/10/17/24/1101101724.db2.gz WRCPQYIJVKKSEA-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]Cc1ccsc1 ZINC001495691554 1101444212 /nfs/dbraw/zinc/44/42/12/1101444212.db2.gz OPFNIOMHXMNVNI-OAHLLOKOSA-N 2 0 335.517 2.466 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCc1cccc(F)c1 ZINC001495785980 1101596432 /nfs/dbraw/zinc/59/64/32/1101596432.db2.gz OMHAKKTUHAXHIV-INIZCTEOSA-N 2 0 347.478 2.196 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCOc3ccccc3)CCCC2)C1 ZINC001495963477 1101842880 /nfs/dbraw/zinc/84/28/80/1101842880.db2.gz YAWZOYJXGOUTOZ-QGZVFWFLSA-N 2 0 345.487 2.036 10 0 EEAERP CC(C)c1cnc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001496062190 1101996313 /nfs/dbraw/zinc/99/63/13/1101996313.db2.gz SPRIOAXOTXTGHA-RRFJBIMHSA-N 2 0 336.480 2.075 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cncs2)C1 ZINC001497257407 1102207089 /nfs/dbraw/zinc/20/70/89/1102207089.db2.gz XHEVCMQJEFVDKQ-CABCVRRESA-N 2 0 338.521 2.250 10 0 EEAERP CCc1onc(C)c1C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001447229809 1102245709 /nfs/dbraw/zinc/24/57/09/1102245709.db2.gz NKPYZQFIFHIWAW-UHFFFAOYSA-N 2 0 348.491 2.016 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001497305195 1102288335 /nfs/dbraw/zinc/28/83/35/1102288335.db2.gz VPALRVMYKLLLLG-RDJZCZTQSA-N 2 0 333.476 2.021 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001447292411 1102378795 /nfs/dbraw/zinc/37/87/95/1102378795.db2.gz XLAHQYOPRFWOOT-YOEHRIQHSA-N 2 0 344.459 2.119 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1)[NH+](C)C ZINC001447297231 1102390781 /nfs/dbraw/zinc/39/07/81/1102390781.db2.gz AJVUHCHURYOSPI-LSDHHAIUSA-N 2 0 331.451 2.343 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)C1([NH+](C)C)CCC1 ZINC001497401538 1102433810 /nfs/dbraw/zinc/43/38/10/1102433810.db2.gz VQCHQUJLPGGZSU-UHFFFAOYSA-N 2 0 332.492 2.121 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497486815 1102566786 /nfs/dbraw/zinc/56/67/86/1102566786.db2.gz UQOMLDCWFIREIF-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001497585009 1102700804 /nfs/dbraw/zinc/70/08/04/1102700804.db2.gz FAURPLUPSVYYNY-KCVJVMPHSA-N 2 0 327.472 2.351 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001497601960 1102732687 /nfs/dbraw/zinc/73/26/87/1102732687.db2.gz VARMBXXMVPXFRT-OAJJDEHYSA-N 2 0 330.476 2.026 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497678769 1102889216 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10 0 EEAERP C[C@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001497828030 1103159676 /nfs/dbraw/zinc/15/96/76/1103159676.db2.gz SEJLJNXGEHTYKY-GFCCVEGCSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)c1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497910028 1103309117 /nfs/dbraw/zinc/30/91/17/1103309117.db2.gz FAWKTOOHPBCZBC-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1nc(C[NH2+]CC2CC(NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001447806661 1103369574 /nfs/dbraw/zinc/36/95/74/1103369574.db2.gz SSYLPGKLBYKMLY-UHFFFAOYSA-N 2 0 338.521 2.086 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001494077867 1103484663 /nfs/dbraw/zinc/48/46/63/1103484663.db2.gz CANAMVHFKIWXBR-MOPGFXCFSA-N 2 0 347.478 2.436 10 0 EEAERP C[C@@H]([NH2+]CCC1CCOCC1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001447900838 1103554161 /nfs/dbraw/zinc/55/41/61/1103554161.db2.gz DGIPQNMOUOEWJF-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(CF)cc1 ZINC001448089662 1103976718 /nfs/dbraw/zinc/97/67/18/1103976718.db2.gz FCQQPERDSRBBAN-JKSUJKDBSA-N 2 0 335.467 2.434 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1cncs1 ZINC001448287416 1104324551 /nfs/dbraw/zinc/32/45/51/1104324551.db2.gz YSLAEPOBPBVZLI-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001494909315 1104542454 /nfs/dbraw/zinc/54/24/54/1104542454.db2.gz FWFADPSLGDUQTE-WMZOPIPTSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cc(C)ncn1 ZINC001495069398 1104709810 /nfs/dbraw/zinc/70/98/10/1104709810.db2.gz WRGKSSKPCNQTPI-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480637400 1106803977 /nfs/dbraw/zinc/80/39/77/1106803977.db2.gz QKYDVLQZGNDDAR-OIFJWEAHSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498055902 1106852445 /nfs/dbraw/zinc/85/24/45/1106852445.db2.gz YNYJOXZWIBQYSP-ZFWWWQNUSA-N 2 0 334.464 2.021 10 0 EEAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCOCC2CC2)C1)C12CCC[NH+]1CCC2 ZINC001480695551 1106902844 /nfs/dbraw/zinc/90/28/44/1106902844.db2.gz OTXADCFDSSOKHQ-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cnc(C)s2)C1 ZINC001498098358 1106918677 /nfs/dbraw/zinc/91/86/77/1106918677.db2.gz AUPHPSSQUUQCMK-ZFWWWQNUSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498159361 1107000956 /nfs/dbraw/zinc/00/09/56/1107000956.db2.gz BHLUVECBOZSYTE-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](C[NH2+]Cc1nsc2ccccc12)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498160203 1107002713 /nfs/dbraw/zinc/00/27/13/1107002713.db2.gz OHUUPNZTQUEEBI-KBPBESRZSA-N 2 0 346.500 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCOCC1 ZINC001498299903 1107244566 /nfs/dbraw/zinc/24/45/66/1107244566.db2.gz NFNPEUMYJKRNPW-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)cc1C ZINC001493162666 1107619211 /nfs/dbraw/zinc/61/92/11/1107619211.db2.gz PTZIISYDGICZEJ-GOSISDBHSA-N 2 0 345.487 2.180 10 0 EEAERP CC(C)(C(=O)N[C@H](C[NH2+]Cc1nccs1)C1CC1)[NH+]1CCCC1 ZINC001498799144 1108126634 /nfs/dbraw/zinc/12/66/34/1108126634.db2.gz LAHBKAONWSIFMV-CQSZACIVSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1cccc(C)c1C[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001499066233 1108530114 /nfs/dbraw/zinc/53/01/14/1108530114.db2.gz FGTQAZHRSPTEKC-MAUKXSAKSA-N 2 0 329.488 2.336 10 0 EEAERP C[C@@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001493835886 1108719220 /nfs/dbraw/zinc/71/92/20/1108719220.db2.gz GIQNHOFBQHQBAV-XAHVKCOTSA-N 2 0 327.900 2.297 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001478520134 1110655209 /nfs/dbraw/zinc/65/52/09/1110655209.db2.gz OXFWPNSUGOJAKF-ROUUACIJSA-N 2 0 348.535 2.378 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001499482332 1112314736 /nfs/dbraw/zinc/31/47/36/1112314736.db2.gz UREVHNALYXCTGS-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001499535633 1112350199 /nfs/dbraw/zinc/35/01/99/1112350199.db2.gz LPKUXYORAJAZLN-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccon2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001499861300 1112519270 /nfs/dbraw/zinc/51/92/70/1112519270.db2.gz IGAPNPSQLPNUIN-IRXDYDNUSA-N 2 0 348.491 2.410 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2)C1 ZINC001499941992 1112549723 /nfs/dbraw/zinc/54/97/23/1112549723.db2.gz PEKCCLREUIVWNJ-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1cnc([C@@H](C)[NH+]2CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC2)cn1 ZINC001500012442 1112579445 /nfs/dbraw/zinc/57/94/45/1112579445.db2.gz DDKGWHYZEVLJKI-MRXNPFEDSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C)(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001500444139 1112836942 /nfs/dbraw/zinc/83/69/42/1112836942.db2.gz FRFLLRNQLHDKAR-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C2)o1 ZINC001500520009 1112912122 /nfs/dbraw/zinc/91/21/22/1112912122.db2.gz XANOLPFCKKIKIZ-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001501067237 1113186953 /nfs/dbraw/zinc/18/69/53/1113186953.db2.gz MUWGKZRKPROYDN-LPHOPBHVSA-N 2 0 347.503 2.111 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501395553 1113340803 /nfs/dbraw/zinc/34/08/03/1113340803.db2.gz NWXOGUJDGUFNLG-HIEASXQVSA-N 2 0 333.520 2.440 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001501631843 1113406677 /nfs/dbraw/zinc/40/66/77/1113406677.db2.gz GFZQRRJZHLTSLY-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)CC1 ZINC001501722702 1113449713 /nfs/dbraw/zinc/44/97/13/1113449713.db2.gz HIBPUUNGFWUYEZ-SAABIXHNSA-N 2 0 332.492 2.186 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008603 1113556576 /nfs/dbraw/zinc/55/65/76/1113556576.db2.gz NDKLDWGXOMDVJI-SJLPKXTDSA-N 2 0 349.519 2.201 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001502798691 1113803521 /nfs/dbraw/zinc/80/35/21/1113803521.db2.gz MECJHWBJIKLPKV-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001502811421 1113808392 /nfs/dbraw/zinc/80/83/92/1113808392.db2.gz UACZDZZGAQRPGB-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001431 1114333202 /nfs/dbraw/zinc/33/32/02/1114333202.db2.gz ALVRDKQXJMPXGN-CVEARBPZSA-N 2 0 342.487 2.446 10 0 EEAERP CCCC[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506554651 1114696066 /nfs/dbraw/zinc/69/60/66/1114696066.db2.gz XWFBKDMEZGVNNY-HUUCEWRRSA-N 2 0 331.451 2.248 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001506904153 1114962348 /nfs/dbraw/zinc/96/23/48/1114962348.db2.gz STUOAIFJMGUEDX-HAQNSBGRSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](CCC[NH2+]CCF)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001506923683 1114977151 /nfs/dbraw/zinc/97/71/51/1114977151.db2.gz RKDXLHMBZSLJSN-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001506923767 1114977292 /nfs/dbraw/zinc/97/72/92/1114977292.db2.gz RWPOTQLGSYJVJD-CZUORRHYSA-N 2 0 343.462 2.248 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001507003268 1115046314 /nfs/dbraw/zinc/04/63/14/1115046314.db2.gz SMOXAGUFEWICSS-RBUKOAKNSA-N 2 0 345.487 2.116 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001507116944 1115116730 /nfs/dbraw/zinc/11/67/30/1115116730.db2.gz VTNNHNFMQPBJOE-ZIAGYGMSSA-N 2 0 331.451 2.200 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001507291957 1115176839 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OZKZGFKRFMJLHN-SFHVURJKSA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(C)(C)C ZINC001507629130 1115312446 /nfs/dbraw/zinc/31/24/46/1115312446.db2.gz WXHJYKYMXYELTQ-DLBZAZTESA-N 2 0 341.540 2.047 10 0 EEAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023736 1115390778 /nfs/dbraw/zinc/39/07/78/1115390778.db2.gz PSBRLTGVWDARLT-HOTGVXAUSA-N 2 0 341.540 2.121 10 0 EEAERP C[N@H+](CC(=O)N[C@H](C[NH2+]C[C@@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023744 1115391188 /nfs/dbraw/zinc/39/11/88/1115391188.db2.gz PSBRLTGVWDARLT-JKSUJKDBSA-N 2 0 341.540 2.121 10 0 EEAERP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C3([NH+](C)C)CCC3)C2)c(C)n1 ZINC001508113603 1115422244 /nfs/dbraw/zinc/42/22/44/1115422244.db2.gz RCMABKCVEGYRMJ-UHFFFAOYSA-N 2 0 344.503 2.262 10 0 EEAERP CCc1nocc1CN1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001508208403 1115445145 /nfs/dbraw/zinc/44/51/45/1115445145.db2.gz GRNPIMLCEHNABU-SFHVURJKSA-N 2 0 348.491 2.072 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001508220716 1115449633 /nfs/dbraw/zinc/44/96/33/1115449633.db2.gz VTUQPOXXBNMXMC-IEBWSBKVSA-N 2 0 349.519 2.036 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]CCC(F)(F)F)CCCC1)C1CCC1 ZINC001568000775 1124224237 /nfs/dbraw/zinc/22/42/37/1124224237.db2.gz FSCFRWWEYZLTIC-UHFFFAOYSA-N 2 0 335.414 2.442 10 0 EEAERP C[C@](C[NH2+]C/C=C\Cl)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001568034202 1124241081 /nfs/dbraw/zinc/24/10/81/1124241081.db2.gz NKFCILJFVPVTSD-VWTAQGJOSA-N 2 0 327.900 2.489 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1)[NH+](C)C ZINC001568093723 1124296811 /nfs/dbraw/zinc/29/68/11/1124296811.db2.gz AQCUJYATJIXUCL-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568118688 1124312773 /nfs/dbraw/zinc/31/27/73/1124312773.db2.gz BNMVBJFWLSCSPJ-QZTJIDSGSA-N 2 0 333.451 2.379 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CCCC1 ZINC001568239898 1124380548 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ZINC001569209353 1125166166 /nfs/dbraw/zinc/16/61/66/1125166166.db2.gz BNXFTSFAYVRZQL-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP CN([C@@H](C[NH3+])c1cccc(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053205517 214170440 /nfs/dbraw/zinc/17/04/40/214170440.db2.gz PXQHPVKSGMGHTB-CABCVRRESA-N 2 0 326.282 2.475 10 0 EEAERP CC[NH+]1CCN([C@H](C[NH3+])c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000053994328 214209718 /nfs/dbraw/zinc/20/97/18/214209718.db2.gz ATROXRHABQUHPG-GOSISDBHSA-N 2 0 327.476 2.126 10 0 EEAERP C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067908054 215247656 /nfs/dbraw/zinc/24/76/56/215247656.db2.gz REWGVZBPXJZZDK-RBFDBLARSA-N 2 0 331.460 2.393 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000368168253 283047567 /nfs/dbraw/zinc/04/75/67/283047567.db2.gz SKIOQGFGLBKHRI-IEBWSBKVSA-N 2 0 333.451 2.419 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000559893920 370702069 /nfs/dbraw/zinc/70/20/69/370702069.db2.gz MQFPATIESMSISQ-QGZVFWFLSA-N 2 0 329.492 2.403 10 0 EEAERP COC[C@H](CCC[NH3+])Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000422955679 240305271 /nfs/dbraw/zinc/30/52/71/240305271.db2.gz MXGPRGZWXLVUSF-MDZRGWNJSA-N 2 0 335.492 2.462 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)[C@@H]1n1cccn1 ZINC000423145581 240383095 /nfs/dbraw/zinc/38/30/95/240383095.db2.gz LKNJUNZPNYORGT-RNJTYBCJSA-N 2 0 329.448 2.115 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000266003576 248019179 /nfs/dbraw/zinc/01/91/79/248019179.db2.gz QGACEYHEFUHAQA-HOTGVXAUSA-N 2 0 333.476 2.182 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000339655151 285246725 /nfs/dbraw/zinc/24/67/25/285246725.db2.gz KBYFUAYFEPRKSC-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C(C)C ZINC000465975774 285277815 /nfs/dbraw/zinc/27/78/15/285277815.db2.gz BZJGXHURXJVJOA-IRXDYDNUSA-N 2 0 326.529 2.336 10 0 EEAERP CC[NH2+]Cc1cc(Br)cnc1N1CC[NH+](C(C)C)CC1 ZINC000051446145 132181508 /nfs/dbraw/zinc/18/15/08/132181508.db2.gz IQBGUJNFOXWFSR-UHFFFAOYSA-N 2 0 341.297 2.484 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cn(C(C)(C)C)nn2)(N2CCCCC2)CC1 ZINC000191216508 152243616 /nfs/dbraw/zinc/24/36/16/152243616.db2.gz MZVZXMXWMZZVSF-UHFFFAOYSA-N 2 0 348.539 2.073 10 0 EEAERP COc1ccc([C@@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1Br ZINC000216528557 286357072 /nfs/dbraw/zinc/35/70/72/286357072.db2.gz VPOTXYOWNRHRRR-CQSZACIVSA-N 2 0 342.281 2.095 10 0 EEAERP COCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737358 159056302 /nfs/dbraw/zinc/05/63/02/159056302.db2.gz NELJBVGOTCFVJX-QGZVFWFLSA-N 2 0 347.503 2.303 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)ccn2)CC1 ZINC000245954460 160258927 /nfs/dbraw/zinc/25/89/27/160258927.db2.gz XBCSLTSHYWZMDD-QXAKKESOSA-N 2 0 344.503 2.127 10 0 EEAERP COC(=O)CCC[NH+]1CCC(NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000342789475 161091012 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10 0 EEAERP COc1ccc(CNC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123107683 222217260 /nfs/dbraw/zinc/21/72/60/222217260.db2.gz XBAFZNWAEWIZNG-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000272679787 269007639 /nfs/dbraw/zinc/00/76/39/269007639.db2.gz RXEZRNYTINYAMK-ROUUACIJSA-N 2 0 344.503 2.463 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290425134 275206193 /nfs/dbraw/zinc/20/61/93/275206193.db2.gz OYAKJNIHRVNSFO-GOSISDBHSA-N 2 0 339.455 2.382 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000193028437 276112014 /nfs/dbraw/zinc/11/20/14/276112014.db2.gz RTFJSRHJSFQEKQ-HOTGVXAUSA-N 2 0 336.480 2.446 10 0 EEAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)C2)C1 ZINC000415968955 277071283 /nfs/dbraw/zinc/07/12/83/277071283.db2.gz GDWSRJHIYDEWAQ-LJQANCHMSA-N 2 0 346.450 2.421 10 0 EEAERP CC1(C)CCC[N@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355338907 278214762 /nfs/dbraw/zinc/21/47/62/278214762.db2.gz HKPZXXMIBGAHRO-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303053549 279158931 /nfs/dbraw/zinc/15/89/31/279158931.db2.gz YQBIWRWIQPKBPB-VVLHAWIVSA-N 2 0 326.529 2.382 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000154145438 288216946 /nfs/dbraw/zinc/21/69/46/288216946.db2.gz FIOMWVPDUVEKQC-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000182053212 280275003 /nfs/dbraw/zinc/27/50/03/280275003.db2.gz DRJKAPQCPUOFLK-WBVHZDCISA-N 2 0 331.460 2.074 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340310534 289103765 /nfs/dbraw/zinc/10/37/65/289103765.db2.gz ZAEPCTYISZZTHN-UHFFFAOYSA-N 2 0 330.538 2.300 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261767974 290393445 /nfs/dbraw/zinc/39/34/45/290393445.db2.gz GLHRAHJDECUDAT-INIZCTEOSA-N 2 0 345.487 2.185 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297265670 294196914 /nfs/dbraw/zinc/19/69/14/294196914.db2.gz PKSIZLHWLRWWHI-GJZGRUSLSA-N 2 0 329.448 2.254 10 0 EEAERP CCn1ccnc1CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000297554010 294278177 /nfs/dbraw/zinc/27/81/77/294278177.db2.gz VMFGSEGCNGLPRY-HNNXBMFYSA-N 2 0 341.459 2.149 10 0 EEAERP COc1ccccc1[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298481864 294508935 /nfs/dbraw/zinc/50/89/35/294508935.db2.gz PMUKTNPUPINYCY-SFHVURJKSA-N 2 0 327.428 2.382 10 0 EEAERP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000333604524 312172495 /nfs/dbraw/zinc/17/24/95/312172495.db2.gz PWWKQMJBOYSABP-MCIONIFRSA-N 2 0 334.489 2.469 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800643 313319817 /nfs/dbraw/zinc/31/98/17/313319817.db2.gz FQEWYWPNODKJOY-QZTJIDSGSA-N 2 0 326.444 2.289 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCC[NH3+])C1 ZINC000416999315 313387835 /nfs/dbraw/zinc/38/78/35/313387835.db2.gz MDRMTFQIPYKJRR-HOTGVXAUSA-N 2 0 332.492 2.313 10 0 EEAERP CC(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000417002298 313389769 /nfs/dbraw/zinc/38/97/69/313389769.db2.gz GBQNDTIFXSBOEV-LSDHHAIUSA-N 2 0 346.466 2.039 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417017221 313396382 /nfs/dbraw/zinc/39/63/82/313396382.db2.gz ORDLKIANWPQOMT-NVXWUHKLSA-N 2 0 336.505 2.136 10 0 EEAERP [NH3+][C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000418434544 313813055 /nfs/dbraw/zinc/81/30/55/313813055.db2.gz VVHWGCRQMIFCQM-GOSISDBHSA-N 2 0 330.476 2.346 10 0 EEAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418599285 313856529 /nfs/dbraw/zinc/85/65/29/313856529.db2.gz ZKJPRAFRBGUCSH-LJQANCHMSA-N 2 0 342.487 2.450 10 0 EEAERP Cn1cnc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000419754419 313924037 /nfs/dbraw/zinc/92/40/37/313924037.db2.gz AJCGPOWBJKOCDO-UHFFFAOYSA-N 2 0 347.894 2.158 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000452779529 315596347 /nfs/dbraw/zinc/59/63/47/315596347.db2.gz SVVPQVPIWYMOAH-SFHVURJKSA-N 2 0 332.492 2.384 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527826788 317271394 /nfs/dbraw/zinc/27/13/94/317271394.db2.gz NREIHBQKLNSVJI-LEOMRAHMSA-N 2 0 336.524 2.423 10 0 EEAERP CN(CCC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cc[nH+]cc1 ZINC000540929027 318084663 /nfs/dbraw/zinc/08/46/63/318084663.db2.gz RCBMVNINOQHKSW-UHFFFAOYSA-N 2 0 330.476 2.385 10 0 EEAERP CN(CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cc[nH+]cc1 ZINC000541856496 318112323 /nfs/dbraw/zinc/11/23/23/318112323.db2.gz LVPIEGPCPLLDDX-QUCCMNQESA-N 2 0 338.455 2.470 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000542313223 318126132 /nfs/dbraw/zinc/12/61/32/318126132.db2.gz OCFNIUKDNPQMTI-HNNXBMFYSA-N 2 0 326.400 2.110 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641099 318164937 /nfs/dbraw/zinc/16/49/37/318164937.db2.gz YCFLOCGGVSEEJW-SJLPKXTDSA-N 2 0 332.492 2.415 10 0 EEAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000563171368 318979770 /nfs/dbraw/zinc/97/97/70/318979770.db2.gz ZYMUCZSLSSDRKA-UZFXTPLTSA-N 2 0 331.504 2.177 10 0 EEAERP CC[NH+]1CCC(N2CCCN(C(=O)C3(CF)CCC3)CC2)CC1 ZINC000564215629 319073105 /nfs/dbraw/zinc/07/31/05/319073105.db2.gz WKHKOBQXMHLIKY-UHFFFAOYSA-N 2 0 325.472 2.145 10 0 EEAERP COCCOc1cc2c(cc1C[NH+]1CCC(CC[NH3+])CC1)OCO2 ZINC000577956308 320285911 /nfs/dbraw/zinc/28/59/11/320285911.db2.gz YCTPFFFPKBFELO-UHFFFAOYSA-N 2 0 336.432 2.001 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1ccccc1 ZINC000578306560 320305981 /nfs/dbraw/zinc/30/59/81/320305981.db2.gz UTGIIRAQNPQYLH-DLBZAZTESA-N 2 0 330.476 2.393 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)CC[NH2+]C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000581380127 324241888 /nfs/dbraw/zinc/24/18/88/324241888.db2.gz IXGXMUVJKNBEJP-QUCCMNQESA-N 2 0 343.471 2.231 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479497 464247117 /nfs/dbraw/zinc/24/71/17/464247117.db2.gz DFMORIVDOJJBFC-HKUYNNGSSA-N 2 0 325.460 2.243 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC[N@H+]2CC=C(C)CC2)o1 ZINC000358659913 465248283 /nfs/dbraw/zinc/24/82/83/465248283.db2.gz FTZFZWBMNKUWEU-UHFFFAOYSA-N 2 0 348.491 2.313 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1ccsc1 ZINC000337453827 465378499 /nfs/dbraw/zinc/37/84/99/465378499.db2.gz JDCHOTWRISPPTO-HNNXBMFYSA-N 2 0 339.505 2.001 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000152704917 462571955 /nfs/dbraw/zinc/57/19/55/462571955.db2.gz UWHVWQRVQMLKLX-ABHNRTSZSA-N 2 0 336.524 2.375 10 0 EEAERP Cc1ncn(CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c1C ZINC000113506167 462597979 /nfs/dbraw/zinc/59/79/79/462597979.db2.gz YMNTZNANSDZOSV-QGZVFWFLSA-N 2 0 326.444 2.405 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2CNCCC[NH+]2CCC2)CC1 ZINC000521370464 468306769 /nfs/dbraw/zinc/30/67/69/468306769.db2.gz USLIZANJIFOHHD-UHFFFAOYSA-N 2 0 336.911 2.277 10 0 EEAERP OCC[NH2+]CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013732917 462902992 /nfs/dbraw/zinc/90/29/92/462902992.db2.gz HEVMHGSRJYECNI-UHFFFAOYSA-N 2 0 332.419 2.466 10 0 EEAERP CCc1nn(C)c(CC)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121156420 463088949 /nfs/dbraw/zinc/08/89/49/463088949.db2.gz WYZYBUDHWYXHJM-HNNXBMFYSA-N 2 0 336.524 2.070 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000139761600 463331819 /nfs/dbraw/zinc/33/18/19/463331819.db2.gz XFCDRUOOHOEWBH-SFHVURJKSA-N 2 0 330.476 2.044 10 0 EEAERP C[N@@H+](Cc1ccn(-c2ccccc2)n1)CC1CC[NH+](CCO)CC1 ZINC000071871570 463450147 /nfs/dbraw/zinc/45/01/47/463450147.db2.gz MCQNQFOYURLMRF-UHFFFAOYSA-N 2 0 328.460 2.008 10 0 EEAERP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875937 463484716 /nfs/dbraw/zinc/48/47/16/463484716.db2.gz YMYVULJAHFEECO-KRWDZBQOSA-N 2 0 332.492 2.466 10 0 EEAERP CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000168417391 463665884 /nfs/dbraw/zinc/66/58/84/463665884.db2.gz WGSKCRDVHYDRND-GOSISDBHSA-N 2 0 338.455 2.315 10 0 EEAERP CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000168417286 463666112 /nfs/dbraw/zinc/66/61/12/463666112.db2.gz WGSKCRDVHYDRND-SFHVURJKSA-N 2 0 338.455 2.315 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000152376667 463681895 /nfs/dbraw/zinc/68/18/95/463681895.db2.gz KKIRYRFBAXIONO-SJORKVTESA-N 2 0 333.480 2.178 10 0 EEAERP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000193384771 463710123 /nfs/dbraw/zinc/71/01/23/463710123.db2.gz RWMMQWMRFURVFC-KRWDZBQOSA-N 2 0 336.524 2.236 10 0 EEAERP c1csc(-c2noc([C@H]3COCCN3CC3CC[NH2+]CC3)n2)c1 ZINC000261671107 463821845 /nfs/dbraw/zinc/82/18/45/463821845.db2.gz GFXYEOYJROUVQQ-CYBMUJFWSA-N 2 0 334.445 2.171 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261709889 463835345 /nfs/dbraw/zinc/83/53/45/463835345.db2.gz IRLAFPTUSWOVAR-FQEVSTJZSA-N 3 0 330.520 2.389 10 0 EEAERP C[C@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000298565907 465433678 /nfs/dbraw/zinc/43/36/78/465433678.db2.gz WNGFSGAYVGSUAM-PKOBYXMFSA-N 2 0 331.504 2.038 10 0 EEAERP C[C@H]1C[C@H](N(C)Cc2noc(CN)n2)CC[N@@H+]1Cc1ccccc1 ZINC000262225818 463978086 /nfs/dbraw/zinc/97/80/86/463978086.db2.gz NFPWKWUWMSXZOA-GOEBONIOSA-N 2 0 329.448 2.013 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000270344053 464252681 /nfs/dbraw/zinc/25/26/81/464252681.db2.gz MBFFDJLEQYEZMA-FCLVOEFKSA-N 2 0 342.487 2.214 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264454725 464333234 /nfs/dbraw/zinc/33/32/34/464333234.db2.gz HLDALSSDKZNYNT-GOSISDBHSA-N 2 0 329.488 2.357 10 0 EEAERP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000245905785 464523582 /nfs/dbraw/zinc/52/35/82/464523582.db2.gz LZGKFWQQRCSZBR-LMMKCTJWSA-N 2 0 329.488 2.450 10 0 EEAERP Cn1cc(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)s2)cn1 ZINC000282174735 464722319 /nfs/dbraw/zinc/72/23/19/464722319.db2.gz FMKPBPLPMGDDNQ-UHFFFAOYSA-N 2 0 334.489 2.351 10 0 EEAERP COC(=O)[C@@H]1CC12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000597011401 468416821 /nfs/dbraw/zinc/41/68/21/468416821.db2.gz WEPFUWDQGJJAGW-INIZCTEOSA-N 2 0 326.400 2.042 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000183248779 464833152 /nfs/dbraw/zinc/83/31/52/464833152.db2.gz WKXBQUDCUZPJKO-AZUAARDMSA-N 2 0 345.487 2.429 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000249751814 464912233 /nfs/dbraw/zinc/91/22/33/464912233.db2.gz DLBUVSYMABWEPO-FUHWJXTLSA-N 2 0 348.491 2.081 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000249975616 464923716 /nfs/dbraw/zinc/92/37/16/464923716.db2.gz KXSDYMUYUMMPEH-UWWQBHOKSA-N 2 0 333.451 2.152 10 0 EEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(CC[C@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324688 465796659 /nfs/dbraw/zinc/79/66/59/465796659.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 2 0 334.552 2.104 10 0 EEAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000348900394 465863276 /nfs/dbraw/zinc/86/32/76/465863276.db2.gz MUBCOFPYBYQKFB-QFBILLFUSA-N 2 0 329.488 2.233 10 0 EEAERP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)CC2)ncn1 ZINC000353518537 465947323 /nfs/dbraw/zinc/94/73/23/465947323.db2.gz LLLQLYUSRQBGRD-OTWHNJEPSA-N 2 0 343.519 2.470 10 0 EEAERP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000340299450 465967970 /nfs/dbraw/zinc/96/79/70/465967970.db2.gz HDTIJRDTISLMPW-QZTJIDSGSA-N 2 0 330.476 2.167 10 0 EEAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000338478310 466158059 /nfs/dbraw/zinc/15/80/59/466158059.db2.gz VKAUURWVDWZZTP-QGZVFWFLSA-N 2 0 333.476 2.164 10 0 EEAERP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349778060 466234927 /nfs/dbraw/zinc/23/49/27/466234927.db2.gz PCPODABNFJKDRY-GJZGRUSLSA-N 2 0 336.505 2.229 10 0 EEAERP CCCn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000350557267 466537626 /nfs/dbraw/zinc/53/76/26/466537626.db2.gz PCPJBQOLSOSHMS-UHFFFAOYSA-N 2 0 333.524 2.143 10 0 EEAERP CC1(C)OC[C@@H](C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)O1 ZINC000408521991 466677163 /nfs/dbraw/zinc/67/71/63/466677163.db2.gz BJLZHTDIEVSNSN-JKSUJKDBSA-N 2 0 347.459 2.286 10 0 EEAERP COC[C@@]1(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423414406 466744659 /nfs/dbraw/zinc/74/46/59/466744659.db2.gz MTTBTEYQMWNXHV-NQIIRXRSSA-N 2 0 345.531 2.440 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417032503 466759669 /nfs/dbraw/zinc/75/96/69/466759669.db2.gz QLSNLGQTVAVNFU-GOSISDBHSA-N 2 0 332.492 2.498 10 0 EEAERP Cc1ccc(NCCCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)nc1 ZINC000417059493 466767698 /nfs/dbraw/zinc/76/76/98/466767698.db2.gz IFOUMOKYBCLAGE-OAHLLOKOSA-N 2 0 341.459 2.711 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417240372 466812799 /nfs/dbraw/zinc/81/27/99/466812799.db2.gz PKLXPNQZKLXJOC-DOTOQJQBSA-N 2 0 332.492 2.496 10 0 EEAERP CC(C)(C[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417585535 466887746 /nfs/dbraw/zinc/88/77/46/466887746.db2.gz PGVGUHAIFFVGPA-ALOPSCKCSA-N 2 0 330.476 2.219 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCC2(C)CC[NH2+]CC2)ccc1F ZINC000417654192 466899625 /nfs/dbraw/zinc/89/96/25/466899625.db2.gz BZYKXQTVDNNUOM-UHFFFAOYSA-N 2 0 336.455 2.076 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418042246 467031793 /nfs/dbraw/zinc/03/17/93/467031793.db2.gz LMEMAZCYNBCMHK-IEZWGBDMSA-N 2 0 330.476 2.172 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000418160652 467062694 /nfs/dbraw/zinc/06/26/94/467062694.db2.gz BJWUWVFLNOGTKT-CAMMJAKZSA-N 2 0 344.503 2.380 10 0 EEAERP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H](c1ccccc1)[NH+](C)C ZINC000418184256 467068103 /nfs/dbraw/zinc/06/81/03/467068103.db2.gz PRIVHVQQKPNQCV-NRSFXHEJSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000418595046 467133423 /nfs/dbraw/zinc/13/34/23/467133423.db2.gz NUWCYBASPWFZFK-TVFCKZIOSA-N 2 0 336.524 2.280 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000418680803 467145752 /nfs/dbraw/zinc/14/57/52/467145752.db2.gz UZUXKZAWTKONIU-HKUYNNGSSA-N 2 0 330.476 2.252 10 0 EEAERP CCN1CCN(C(=O)[C@H](C)N2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451839089 467269997 /nfs/dbraw/zinc/26/99/97/467269997.db2.gz NMLKSZXDUCYABN-RDJZCZTQSA-N 2 0 331.460 2.359 10 0 EEAERP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000420339615 467366907 /nfs/dbraw/zinc/36/69/07/467366907.db2.gz QYSSYSNWACYZCZ-HUUCEWRRSA-N 2 0 347.425 2.251 10 0 EEAERP CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000414189374 467388075 /nfs/dbraw/zinc/38/80/75/467388075.db2.gz JQLNYBXMNCCBLX-GOSISDBHSA-N 2 0 346.519 2.309 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1C[NH+](C)C[C@@H]1C ZINC000414274676 467397022 /nfs/dbraw/zinc/39/70/22/467397022.db2.gz VHEHVTWNAYZIAC-OJAHFUOMSA-N 2 0 331.504 2.063 10 0 EEAERP CCN1CC[C@@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000389195198 467399045 /nfs/dbraw/zinc/39/90/45/467399045.db2.gz WXPHYTUNUKNZLV-GOSISDBHSA-N 2 0 331.460 2.471 10 0 EEAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CC[NH2+]CC1 ZINC000414863984 467441121 /nfs/dbraw/zinc/44/11/21/467441121.db2.gz BEMRYOBPDHAANB-GFCCVEGCSA-N 2 0 344.272 2.014 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414943742 467455582 /nfs/dbraw/zinc/45/55/82/467455582.db2.gz OKVNDQCWKJGAOY-PKOBYXMFSA-N 3 0 330.520 2.306 10 0 EEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404426045 467474232 /nfs/dbraw/zinc/47/42/32/467474232.db2.gz LTTMECRTBZJKQV-NTDBWNAOSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCC[N@@H+]3CCO)CC2)C1 ZINC000449389426 467635594 /nfs/dbraw/zinc/63/55/94/467635594.db2.gz CTWVUYAZFJAZPE-RLLQIKCJSA-N 2 0 337.552 2.466 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529298085 467841626 /nfs/dbraw/zinc/84/16/26/467841626.db2.gz KMOWQWGHRWLXKQ-XHSDSOJGSA-N 2 0 336.524 2.327 10 0 EEAERP C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225246 467964528 /nfs/dbraw/zinc/96/45/28/467964528.db2.gz UTJFLCXSZKPNJE-AWEZNQCLSA-N 2 0 336.867 2.044 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H]1c1ccccc1 ZINC000516857041 468050230 /nfs/dbraw/zinc/05/02/30/468050230.db2.gz LYCOMJBOSJHTOY-OKZBNKHCSA-N 2 0 330.476 2.249 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)COC2CCC([NH3+])CC2)c1 ZINC000567771554 468206927 /nfs/dbraw/zinc/20/69/27/468206927.db2.gz IGCAYWUWVGMZGN-UHFFFAOYSA-N 2 0 333.476 2.041 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000583737712 468747724 /nfs/dbraw/zinc/74/77/24/468747724.db2.gz KIIYSTXSSXHHGK-UHFFFAOYSA-N 2 0 329.448 2.256 10 0 EEAERP C[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599292313 469194337 /nfs/dbraw/zinc/19/43/37/469194337.db2.gz BFBAOKIOSMQMMR-MDCZIUGASA-N 2 0 340.508 2.133 10 0 EEAERP COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000599558514 469291951 /nfs/dbraw/zinc/29/19/51/469291951.db2.gz JYNNGKPQKNHKRT-FQEVSTJZSA-N 2 0 346.471 2.436 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000625776501 469382498 /nfs/dbraw/zinc/38/24/98/469382498.db2.gz JERXQDAFLBFSJN-FGTMMUONSA-N 2 0 347.528 2.375 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000625834064 469403631 /nfs/dbraw/zinc/40/36/31/469403631.db2.gz HEKZVOFGHYYULM-CVEARBPZSA-N 2 0 345.491 2.009 10 0 EEAERP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985896 469458259 /nfs/dbraw/zinc/45/82/59/469458259.db2.gz LZPGVHSKTMBMGD-ZWKOTPCHSA-N 2 0 338.467 2.333 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000626984538 469777940 /nfs/dbraw/zinc/77/79/40/469777940.db2.gz HWERLJGCVUMIBS-DSJMHWKBSA-N 2 0 336.505 2.181 10 0 EEAERP CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+](C)C)cc1 ZINC000627038068 469798805 /nfs/dbraw/zinc/79/88/05/469798805.db2.gz XNQQBBBHYPINFJ-BMGDILEWSA-N 2 0 348.491 2.126 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627200716 469842767 /nfs/dbraw/zinc/84/27/67/469842767.db2.gz UAVUEILSVQTWSV-NZSAHSFTSA-N 2 0 344.503 2.433 10 0 EEAERP C/C=C\C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624197600 469872206 /nfs/dbraw/zinc/87/22/06/469872206.db2.gz RFJRKSQUXHYGHP-YVACAVLKSA-N 2 0 339.505 2.143 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000614246982 469889374 /nfs/dbraw/zinc/88/93/74/469889374.db2.gz CICGULBDDBPKLN-UHFFFAOYSA-N 2 0 333.398 2.002 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342277 469910468 /nfs/dbraw/zinc/91/04/68/469910468.db2.gz BCFAGWRGHLQABQ-BEFAXECRSA-N 2 0 345.487 2.431 10 0 EEAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C[C@@H](C)O1 ZINC000631075287 470062694 /nfs/dbraw/zinc/06/26/94/470062694.db2.gz PAQBJZUNMDQVNH-HZPDHXFCSA-N 2 0 334.508 2.278 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628225961 470078748 /nfs/dbraw/zinc/07/87/48/470078748.db2.gz VJMIZSQKPBKSMJ-GOSISDBHSA-N 2 0 341.565 2.488 10 0 EEAERP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000628279225 470086101 /nfs/dbraw/zinc/08/61/01/470086101.db2.gz AMFVJJHBLCRAAD-HOTGVXAUSA-N 2 0 336.476 2.014 10 0 EEAERP CO[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000625268449 470109063 /nfs/dbraw/zinc/10/90/63/470109063.db2.gz QIMXHKWQTAZTKH-LJQANCHMSA-N 2 0 337.483 2.471 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C1 ZINC000631647073 470176141 /nfs/dbraw/zinc/17/61/41/470176141.db2.gz PHUWRPNGYPAHGD-MUGJNUQGSA-N 2 0 342.483 2.300 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000632950757 470296174 /nfs/dbraw/zinc/29/61/74/470296174.db2.gz NPEPLBRAHILJTE-OAHLLOKOSA-N 2 0 345.491 2.236 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)COC2(C)C[NH2+]C2)CCCC1)c1ccccc1 ZINC000649331721 470548624 /nfs/dbraw/zinc/54/86/24/470548624.db2.gz RNAYYSNREFXMGV-MRXNPFEDSA-N 2 0 345.487 2.145 10 0 EEAERP CCC1([NH+](C)C)CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000640017713 470756757 /nfs/dbraw/zinc/75/67/57/470756757.db2.gz KETCOVMDKNLQEM-LJQANCHMSA-N 2 0 333.520 2.286 10 0 EEAERP C(=C\C[NH2+][C@H]1CCCn2nccc21)\C[NH2+][C@@H]1CCCn2nccc21 ZINC000640221269 470827571 /nfs/dbraw/zinc/82/75/71/470827571.db2.gz VTPGASRKIRBQOW-QZLXFXEDSA-N 2 0 326.448 2.185 10 0 EEAERP CNC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647248547 470866923 /nfs/dbraw/zinc/86/69/23/470866923.db2.gz IEYURMKUUIVOSX-UXHICEINSA-N 2 0 337.467 2.481 10 0 EEAERP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccncc1 ZINC000647288242 470877190 /nfs/dbraw/zinc/87/71/90/470877190.db2.gz VFWGEPDSKDAYLN-ROUUACIJSA-N 2 0 332.492 2.346 10 0 EEAERP O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000647631063 470942883 /nfs/dbraw/zinc/94/28/83/470942883.db2.gz DYUWQMRINTZWBY-ROUUACIJSA-N 2 0 342.418 2.190 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650713642 470949229 /nfs/dbraw/zinc/94/92/29/470949229.db2.gz YNLXJAWRCDEEQU-CYBMUJFWSA-N 2 0 335.448 2.140 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3c2OCCO3)C1 ZINC000650722473 470951093 /nfs/dbraw/zinc/95/10/93/470951093.db2.gz UTTGXNBDQISFPB-RYRKJORJSA-N 2 0 332.444 2.319 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1C ZINC000647799426 470987789 /nfs/dbraw/zinc/98/77/89/470987789.db2.gz GHYICINNALLYIK-VUHPKUFZSA-N 2 0 347.478 2.017 10 0 EEAERP CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899466 471010205 /nfs/dbraw/zinc/01/02/05/471010205.db2.gz LQXAKWRXCBLOTA-FUHWJXTLSA-N 2 0 333.451 2.248 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000651192851 471084836 /nfs/dbraw/zinc/08/48/36/471084836.db2.gz DBHPTDVHQJGHCY-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648448496 471208536 /nfs/dbraw/zinc/20/85/36/471208536.db2.gz MJNCBMQMWKOPJF-RTBURBONSA-N 2 0 329.488 2.111 10 0 EEAERP [NH3+]CC1(CCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000652128200 471240656 /nfs/dbraw/zinc/24/06/56/471240656.db2.gz RWCASXNBGRZSHD-KRWDZBQOSA-N 2 0 330.476 2.252 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000652137265 471242553 /nfs/dbraw/zinc/24/25/53/471242553.db2.gz DVRFLTZGGKYYQN-JKSUJKDBSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@@]1(CNC(=O)NCCC2(C[NH3+])CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000652180316 471251420 /nfs/dbraw/zinc/25/14/20/471251420.db2.gz PVMSAMIEVJVAFC-IBGZPJMESA-N 2 0 344.503 2.469 10 0 EEAERP O[C@@]1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOC1 ZINC000652263146 471263807 /nfs/dbraw/zinc/26/38/07/471263807.db2.gz KZJIFVUOEFGFMZ-YRPNKDGESA-N 2 0 330.472 2.313 10 0 EEAERP Fc1cccc([C@@H]2C[NH2+]CCN2Cc2nc3c(s2)C[NH2+]CC3)c1 ZINC000663492662 471400078 /nfs/dbraw/zinc/40/00/78/471400078.db2.gz AWEXANYUJGOYSJ-HNNXBMFYSA-N 2 0 332.448 2.074 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663515927 471407398 /nfs/dbraw/zinc/40/73/98/471407398.db2.gz LVXDRXIQBHKECQ-UHFFFAOYSA-N 2 0 344.503 2.376 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659033353 471476918 /nfs/dbraw/zinc/47/69/18/471476918.db2.gz WGNNJXPSEYAEBJ-RHSMWYFYSA-N 2 0 334.464 2.199 10 0 EEAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035695 471478148 /nfs/dbraw/zinc/47/81/48/471478148.db2.gz YTEIGNAYDIYLOE-MSOLQXFVSA-N 2 0 346.475 2.342 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659037304 471479558 /nfs/dbraw/zinc/47/95/58/471479558.db2.gz WNDCWBVWOBYAJX-OLMNPRSZSA-N 2 0 346.475 2.294 10 0 EEAERP CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)[NH+](C)C)cc1 ZINC000653106056 471488956 /nfs/dbraw/zinc/48/89/56/471488956.db2.gz REYFMSXRHXDBJC-QRVBRYPASA-N 2 0 329.488 2.499 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666683645 471494408 /nfs/dbraw/zinc/49/44/08/471494408.db2.gz UXROKURINNTIFT-INIZCTEOSA-N 2 0 345.491 2.092 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000655825293 471495784 /nfs/dbraw/zinc/49/57/84/471495784.db2.gz CVIXCRKKGJUYPK-MAEOIBBWSA-N 2 0 345.487 2.118 10 0 EEAERP O[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835528 471507546 /nfs/dbraw/zinc/50/75/46/471507546.db2.gz LVKMFSOQNJTBIW-KVHJKKSTSA-N 2 0 334.504 2.301 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000659381917 471600074 /nfs/dbraw/zinc/60/00/74/471600074.db2.gz NHVAORIPFNIXMO-MOPGFXCFSA-N 2 0 341.499 2.405 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000670113614 471678811 /nfs/dbraw/zinc/67/88/11/471678811.db2.gz FVOHPWUIWJQRAH-JKSUJKDBSA-N 2 0 338.883 2.336 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000664542306 471788637 /nfs/dbraw/zinc/78/86/37/471788637.db2.gz JVODVXJMIQBDOQ-MAUKXSAKSA-N 2 0 347.507 2.104 10 0 EEAERP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000664727394 471845897 /nfs/dbraw/zinc/84/58/97/471845897.db2.gz HLJCQTKIXVYHDN-GOSISDBHSA-N 2 0 332.492 2.026 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000654384040 471937940 /nfs/dbraw/zinc/93/79/40/471937940.db2.gz QHYWPVMASYWCPO-GBESFXJTSA-N 2 0 344.503 2.290 10 0 EEAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000665234861 471975971 /nfs/dbraw/zinc/97/59/71/471975971.db2.gz KZZGTZCMWGHLSR-OWCLPIDISA-N 2 0 328.522 2.102 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000662374059 472089177 /nfs/dbraw/zinc/08/91/77/472089177.db2.gz FQVRSUBRIGIUTO-IBGZPJMESA-N 2 0 347.503 2.287 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000668600360 472190119 /nfs/dbraw/zinc/19/01/19/472190119.db2.gz NKMMXLHYKQTETB-AZUAARDMSA-N 2 0 329.488 2.175 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662747305 472232811 /nfs/dbraw/zinc/23/28/11/472232811.db2.gz SFBQDTMOAFAYKX-HNNXBMFYSA-N 2 0 342.443 2.215 10 0 EEAERP [NH3+]C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000668864768 472302371 /nfs/dbraw/zinc/30/23/71/472302371.db2.gz SWBFIFDTJDMNPN-INIZCTEOSA-N 2 0 330.476 2.163 10 0 EEAERP CCC[NH+]1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673809396 485539818 /nfs/dbraw/zinc/53/98/18/485539818.db2.gz CEQSGXLOIYIFJH-UHFFFAOYSA-N 2 0 328.420 2.263 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000679297757 485651154 /nfs/dbraw/zinc/65/11/54/485651154.db2.gz IABOYBLOUIAYMH-QXAKKESOSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000674410132 485727598 /nfs/dbraw/zinc/72/75/98/485727598.db2.gz NYMWDDHDFSBGEO-ROUUACIJSA-N 2 0 342.487 2.349 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675164462 485915634 /nfs/dbraw/zinc/91/56/34/485915634.db2.gz BFIYHXMLVBKOQC-AWEZNQCLSA-N 2 0 328.420 2.263 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000676927778 486343968 /nfs/dbraw/zinc/34/39/68/486343968.db2.gz NNFRZADVYOPKNX-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H](Cc1ccccc1)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000132248089 534246549 /nfs/dbraw/zinc/24/65/49/534246549.db2.gz OEAUJWGBXIIVIF-KRWDZBQOSA-N 2 0 331.504 2.255 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000416137063 534415194 /nfs/dbraw/zinc/41/51/94/534415194.db2.gz RSILXIXBCOMWLY-RBUKOAKNSA-N 2 0 327.472 2.178 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000171904966 528238562 /nfs/dbraw/zinc/23/85/62/528238562.db2.gz QDFQXSAKMFXSMC-CVEARBPZSA-N 2 0 334.464 2.152 10 0 EEAERP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H]3C[C@H]32)CC1 ZINC000761082766 577676091 /nfs/dbraw/zinc/67/60/91/577676091.db2.gz IMMZGJIPFSLJAN-PKOBYXMFSA-N 2 0 327.472 2.124 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)CN1CC[NH+](C)CC1 ZINC000924950441 681865279 /nfs/dbraw/zinc/86/52/79/681865279.db2.gz PJQDJAZXLLRRNH-QWFCFKBJSA-N 2 0 330.520 2.266 10 0 EEAERP C[NH+](C)Cc1ccc(C[N@H+](C)CC2CC(O)C2)c2c1OC(F)(F)O2 ZINC000894531926 682957549 /nfs/dbraw/zinc/95/75/49/682957549.db2.gz BOWLBCNCJOYZMV-UHFFFAOYSA-N 2 0 342.386 2.272 10 0 EEAERP CN1CC[NH+](CC2CC[NH+](Cc3cccc4c3CCOC4)CC2)CC1 ZINC000894766791 683081879 /nfs/dbraw/zinc/08/18/79/683081879.db2.gz RWRBBRZFAMJNPJ-UHFFFAOYSA-N 2 0 343.515 2.219 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000915252957 684066499 /nfs/dbraw/zinc/06/64/99/684066499.db2.gz UPAKHKZPHUAIBU-IAGOWNOFSA-N 2 0 330.476 2.241 10 0 EEAERP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000896109631 684844607 /nfs/dbraw/zinc/84/46/07/684844607.db2.gz KDGVIYGWPZFRLQ-SJLPKXTDSA-N 2 0 333.476 2.287 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)c(C)c2)CC1 ZINC000899981154 693948671 /nfs/dbraw/zinc/94/86/71/693948671.db2.gz OBBNKQOLYVFMMJ-UHFFFAOYSA-N 2 0 342.487 2.171 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000896897575 685670187 /nfs/dbraw/zinc/67/01/87/685670187.db2.gz APORHLZTIIQAPS-RGIVZKHGSA-N 2 0 327.472 2.421 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000897240405 686309878 /nfs/dbraw/zinc/30/98/78/686309878.db2.gz HIJZUXGSVWJGCY-IAGOWNOFSA-N 2 0 326.444 2.488 10 0 EEAERP CCNc1ccc(C)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000899158566 693637187 /nfs/dbraw/zinc/63/71/87/693637187.db2.gz RTMLPVIEJYZNJH-IAGOWNOFSA-N 2 0 346.519 2.238 10 0 EEAERP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2)C1 ZINC001485508992 1191819836 /nfs/dbraw/zinc/81/98/36/1191819836.db2.gz GFSCBISQFBWZEF-APWZRJJASA-N 2 0 329.488 2.498 10 0 EEAERP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCCCCF)C1 ZINC001485517989 1191823099 /nfs/dbraw/zinc/82/30/99/1191823099.db2.gz UDUXKAXPFYNABC-JYJNAYRXSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2cnccc2C)C1)[NH+](CC)CC ZINC001485523913 1191825606 /nfs/dbraw/zinc/82/56/06/1191825606.db2.gz RFIXOYQARLMYLE-APWZRJJASA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485582516 1191848906 /nfs/dbraw/zinc/84/89/06/1191848906.db2.gz QLPYNYKLLJQPBU-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC(F)(F)F)C[C@@H]2C1 ZINC001485656399 1191875007 /nfs/dbraw/zinc/87/50/07/1191875007.db2.gz CMWQEPMRRCKEJL-SOUVJXGZSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)oc1C ZINC001485736648 1191915312 /nfs/dbraw/zinc/91/53/12/1191915312.db2.gz OWLNOUVQMCOOER-BBRMVZONSA-N 2 0 336.480 2.150 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001486167122 1193709663 /nfs/dbraw/zinc/70/96/63/1193709663.db2.gz PPMYMNDYEHTBMH-QDAKYZJLSA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1)[NH+](C)C ZINC001266341670 1176336822 /nfs/dbraw/zinc/33/68/22/1176336822.db2.gz LOXOZBKFCBTCFA-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001266531162 1176758924 /nfs/dbraw/zinc/75/89/24/1176758924.db2.gz VBEJHVNSWUDCMW-KRWDZBQOSA-N 2 0 345.487 2.049 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)CC1 ZINC001266545440 1176804734 /nfs/dbraw/zinc/80/47/34/1176804734.db2.gz QOKQQNHGNFCWCC-SFHVURJKSA-N 2 0 329.488 2.152 10 0 EEAERP CC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCF ZINC001670587110 1176930821 /nfs/dbraw/zinc/93/08/21/1176930821.db2.gz FUDUOZNQFIGBOY-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2C[N@H+](CCCF)CC[C@H]21 ZINC001266664110 1177087166 /nfs/dbraw/zinc/08/71/66/1177087166.db2.gz UODPZXXCCZHRNX-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1C[C@H]1CCCCO1 ZINC001670728817 1177157308 /nfs/dbraw/zinc/15/73/08/1177157308.db2.gz CKSCWGQUBDUOML-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266692883 1177214686 /nfs/dbraw/zinc/21/46/86/1177214686.db2.gz GMQIWRIYLCYOQR-SCTDSRPQSA-N 2 0 347.503 2.197 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000167521651 1177316606 /nfs/dbraw/zinc/31/66/06/1177316606.db2.gz DAACPQPTTHXGBJ-ROUUACIJSA-N 2 0 333.476 2.151 10 0 EEAERP CCOCCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001266909611 1177780127 /nfs/dbraw/zinc/78/01/27/1177780127.db2.gz YPZLDXIZTNDKIH-ZGUYJTEBSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691304469 1177869953 /nfs/dbraw/zinc/86/99/53/1177869953.db2.gz BLYCQWNFDYYIBN-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)C12CC[NH+](CC1)C2 ZINC001266988344 1178044352 /nfs/dbraw/zinc/04/43/52/1178044352.db2.gz IWOGDQMRCMKWKH-GOSISDBHSA-N 2 0 341.499 2.250 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001267018913 1178104530 /nfs/dbraw/zinc/10/45/30/1178104530.db2.gz RLTGQOIIHBBDTA-HKUYNNGSSA-N 2 0 329.488 2.152 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOc2cc(C)ccc2C)C1 ZINC001267021925 1178106116 /nfs/dbraw/zinc/10/61/16/1178106116.db2.gz DBSQPVDPDVQWHO-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001267070110 1178186229 /nfs/dbraw/zinc/18/62/29/1178186229.db2.gz IDQBQIAXBKZRJY-AWEZNQCLSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001691466424 1178896545 /nfs/dbraw/zinc/89/65/45/1178896545.db2.gz GDNIXTYGSPYQDO-OKZBNKHCSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001267429194 1178995991 /nfs/dbraw/zinc/99/59/91/1178995991.db2.gz SEKSIGCPWCPDGU-HKUYNNGSSA-N 2 0 343.515 2.496 10 0 EEAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267455548 1179036848 /nfs/dbraw/zinc/03/68/48/1179036848.db2.gz SMYPDXHEAFOGSI-UHFFFAOYSA-N 2 0 348.318 2.475 10 0 EEAERP CN(CC[NH2+]Cc1nsc2ccccc12)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456282 1179038263 /nfs/dbraw/zinc/03/82/63/1179038263.db2.gz RUBJNUWLEAETGC-AWEZNQCLSA-N 2 0 346.500 2.186 10 0 EEAERP Cc1nc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCC2)sc1C ZINC001267474454 1179108096 /nfs/dbraw/zinc/10/80/96/1179108096.db2.gz SMWSBTQSKDSMAO-UHFFFAOYSA-N 2 0 338.521 2.184 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001481124747 1179832218 /nfs/dbraw/zinc/83/22/18/1179832218.db2.gz UEYOXHLUHFKIGK-KBPBESRZSA-N 2 0 348.318 2.104 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267689627 1180166448 /nfs/dbraw/zinc/16/64/48/1180166448.db2.gz GZURCZJEMNJHBH-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267769908 1180467831 /nfs/dbraw/zinc/46/78/31/1180467831.db2.gz FBLTWZVGNXPIPY-OKZBNKHCSA-N 2 0 339.524 2.065 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001691489064 1180880928 /nfs/dbraw/zinc/88/09/28/1180880928.db2.gz PGTKRGJCSQWKML-ULQDDVLXSA-N 2 0 335.517 2.259 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001268140054 1181801552 /nfs/dbraw/zinc/80/15/52/1181801552.db2.gz HMPKEWNKEOSMKP-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP CCOCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001268160881 1181873062 /nfs/dbraw/zinc/87/30/62/1181873062.db2.gz BSVQINQIAARMBO-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOc1ccccc1 ZINC001268213158 1182022001 /nfs/dbraw/zinc/02/20/01/1182022001.db2.gz MTELXCKQAASKGK-QRQLOZEOSA-N 2 0 347.503 2.136 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2c(o1)CCCC2)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379926 1182406138 /nfs/dbraw/zinc/40/61/38/1182406138.db2.gz WJOBRQZJSANHEU-GDBMZVCRSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001268398882 1182480912 /nfs/dbraw/zinc/48/09/12/1182480912.db2.gz PVKSAQJPYPFCBM-MAUKXSAKSA-N 2 0 334.508 2.269 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1 ZINC001268402202 1182498847 /nfs/dbraw/zinc/49/88/47/1182498847.db2.gz GFNBBQSXJDQYSM-HOCLYGCPSA-N 2 0 338.521 2.390 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268414958 1182571758 /nfs/dbraw/zinc/57/17/58/1182571758.db2.gz NMPNWVINKRYPPA-OCCSQVGLSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268417513 1182578419 /nfs/dbraw/zinc/57/84/19/1182578419.db2.gz YJGWDGCQHCQDGA-AWEZNQCLSA-N 2 0 336.480 2.088 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001481773867 1182684765 /nfs/dbraw/zinc/68/47/65/1182684765.db2.gz DZNIADQPXAVZRU-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOc1c(C)cccc1C ZINC001481797859 1182716186 /nfs/dbraw/zinc/71/61/86/1182716186.db2.gz MAWHWQZNJGRIMR-MSOLQXFVSA-N 2 0 347.503 2.261 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)o1 ZINC001481856190 1182816539 /nfs/dbraw/zinc/81/65/39/1182816539.db2.gz PXQZWKZWILGQPS-GOEBONIOSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccc(C)cc1 ZINC001481876313 1182852325 /nfs/dbraw/zinc/85/23/25/1182852325.db2.gz UZFVOSVWMDDJHI-OALUTQOASA-N 2 0 331.504 2.364 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)CC[C@@H]3CCC[N@H+]3C)CCCC2)o1 ZINC001481899397 1182911301 /nfs/dbraw/zinc/91/13/01/1182911301.db2.gz UONMAUQSTPLYBY-INIZCTEOSA-N 2 0 348.491 2.376 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001481909506 1182929662 /nfs/dbraw/zinc/92/96/62/1182929662.db2.gz YWWOBPKVEKSCHF-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001482064745 1183280157 /nfs/dbraw/zinc/28/01/57/1183280157.db2.gz NHQYDMYKCRMGJM-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1Cl ZINC001268716726 1183636257 /nfs/dbraw/zinc/63/62/57/1183636257.db2.gz JLBMNSCGSABRMX-ZDUSSCGKSA-N 2 0 343.874 2.456 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297284 1184148789 /nfs/dbraw/zinc/14/87/89/1184148789.db2.gz XBXMWKCJUIBLHM-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001269765946 1184602627 /nfs/dbraw/zinc/60/26/27/1184602627.db2.gz NWDKSRNQDFJSJE-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001270188836 1184907132 /nfs/dbraw/zinc/90/71/32/1184907132.db2.gz SOWVTTMCPNHBBF-VQTJNVASSA-N 2 0 343.515 2.460 10 0 EEAERP CCOCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001270340044 1185032431 /nfs/dbraw/zinc/03/24/31/1185032431.db2.gz LZJXEAXTKNAZMI-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001270437045 1185100548 /nfs/dbraw/zinc/10/05/48/1185100548.db2.gz VJBJDPOBMKCFJB-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001482322223 1185346527 /nfs/dbraw/zinc/34/65/27/1185346527.db2.gz AEKDYNRZVMJLPG-QGZVFWFLSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001482455002 1185867174 /nfs/dbraw/zinc/86/71/74/1185867174.db2.gz KCMWVRBVYTWSKQ-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001482467785 1185967744 /nfs/dbraw/zinc/96/77/44/1185967744.db2.gz GXEUFQQPDWQPCW-IRXDYDNUSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CCF ZINC001271650527 1186359745 /nfs/dbraw/zinc/35/97/45/1186359745.db2.gz XCQWCUIPJGDYKF-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cscn1 ZINC001271698727 1186379130 /nfs/dbraw/zinc/37/91/30/1186379130.db2.gz FNIZTUAFTBLJJX-GJZGRUSLSA-N 2 0 338.521 2.059 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3C[N@H+](CCCCCF)C[C@H]32)CC1 ZINC001272085924 1187548760 /nfs/dbraw/zinc/54/87/60/1187548760.db2.gz ZVGGEHBEGRNHAB-DLBZAZTESA-N 2 0 339.499 2.391 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001482834833 1187754061 /nfs/dbraw/zinc/75/40/61/1187754061.db2.gz QHWXICBKYSNUGS-YTQUADARSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001482845834 1187764765 /nfs/dbraw/zinc/76/47/65/1187764765.db2.gz UCIUVBMNKDLVJL-WFASDCNBSA-N 2 0 326.510 2.022 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860291 1187774066 /nfs/dbraw/zinc/77/40/66/1187774066.db2.gz HAEWRQGIXQWADO-ZIAGYGMSSA-N 2 0 336.480 2.051 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899704 1187811951 /nfs/dbraw/zinc/81/19/51/1187811951.db2.gz UWZWNKXOWZYHSG-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899707 1187812244 /nfs/dbraw/zinc/81/22/44/1187812244.db2.gz UWZWNKXOWZYHSG-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC001483007475 1187989471 /nfs/dbraw/zinc/98/94/71/1187989471.db2.gz ACGQTTKTPHJDLN-SGSXCFNPSA-N 2 0 341.499 2.223 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001483032573 1188053626 /nfs/dbraw/zinc/05/36/26/1188053626.db2.gz PLDVFGNMVIWYGZ-ARJAWSKDSA-N 2 0 348.516 2.150 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691623099 1188322507 /nfs/dbraw/zinc/32/25/07/1188322507.db2.gz LMEOYNWPPLSZDX-UHFFFAOYSA-N 2 0 334.508 2.402 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001272227222 1188433868 /nfs/dbraw/zinc/43/38/68/1188433868.db2.gz UPEMAAFUVNYFFJ-AEFFLSMTSA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)CC1 ZINC001483075595 1188434859 /nfs/dbraw/zinc/43/48/59/1188434859.db2.gz MJOWZMDVGCVJCL-ARJAWSKDSA-N 2 0 335.414 2.321 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+]Cc1ccccc1F ZINC001483096272 1188471146 /nfs/dbraw/zinc/47/11/46/1188471146.db2.gz AQUNIGLWWLZVFC-PLNGDYQASA-N 2 0 333.451 2.464 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001409428794 1189663815 /nfs/dbraw/zinc/66/38/15/1189663815.db2.gz OYBOIQNMXQFBSM-GJZGRUSLSA-N 2 0 330.476 2.493 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409473903 1189777936 /nfs/dbraw/zinc/77/79/36/1189777936.db2.gz OUGIACCVVWVAFI-CABCVRRESA-N 2 0 337.512 2.095 10 0 EEAERP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001409477492 1189812430 /nfs/dbraw/zinc/81/24/30/1189812430.db2.gz UMCRERVJZFRPKH-SJORKVTESA-N 2 0 347.503 2.028 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001409680813 1190180244 /nfs/dbraw/zinc/18/02/44/1190180244.db2.gz FEPYRUIZHKVXMM-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2cnccc2C)C1 ZINC001483375811 1190416244 /nfs/dbraw/zinc/41/62/44/1190416244.db2.gz ARJDBTGYANECHL-QZTJIDSGSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001483500917 1190516905 /nfs/dbraw/zinc/51/69/05/1190516905.db2.gz DYOGVUCOFJPKRU-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486122654 1193688113 /nfs/dbraw/zinc/68/81/13/1193688113.db2.gz SYMZLNJZTPEXMB-CRAIPNDOSA-N 2 0 349.523 2.193 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3)C2)CC1 ZINC001272553767 1190876255 /nfs/dbraw/zinc/87/62/55/1190876255.db2.gz BBWKBCLOUJYUMG-GOSISDBHSA-N 2 0 329.488 2.357 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566088 1190880771 /nfs/dbraw/zinc/88/07/71/1190880771.db2.gz RSVFSWIWMKUKQD-DLBZAZTESA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]Cc3cncc(F)c3)CC2)CC1 ZINC001483781324 1191025675 /nfs/dbraw/zinc/02/56/75/1191025675.db2.gz NOLKERAGSLRJSQ-UHFFFAOYSA-N 2 0 348.466 2.080 10 0 EEAERP COCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001483909142 1191120634 /nfs/dbraw/zinc/12/06/34/1191120634.db2.gz QGRGURHHXVGJLS-LPHOPBHVSA-N 2 0 347.503 2.020 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+]2CCCC2)o1 ZINC001483957083 1191130671 /nfs/dbraw/zinc/13/06/71/1191130671.db2.gz BHFWELHBSRYFKM-QGZVFWFLSA-N 2 0 348.491 2.330 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCOCC1)C1CCCC1 ZINC001484014905 1191156474 /nfs/dbraw/zinc/15/64/74/1191156474.db2.gz TZNYJTCRACICCV-SFHVURJKSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001484067217 1191187136 /nfs/dbraw/zinc/18/71/36/1191187136.db2.gz ISEXOLXYVGRCTJ-FQEVSTJZSA-N 2 0 346.519 2.175 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)s1 ZINC001484345739 1191312854 /nfs/dbraw/zinc/31/28/54/1191312854.db2.gz GCQGEWMFMGMGGL-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348547 1191313397 /nfs/dbraw/zinc/31/33/97/1191313397.db2.gz PQLBRSVGQHJLDM-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C2CC2)no1 ZINC001484466261 1191369821 /nfs/dbraw/zinc/36/98/21/1191369821.db2.gz XDUBHSNGJZNGBV-QZTJIDSGSA-N 2 0 346.475 2.069 10 0 EEAERP CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001484555710 1191417677 /nfs/dbraw/zinc/41/76/77/1191417677.db2.gz VRDZCOBOGMJEHH-IBGZPJMESA-N 2 0 345.487 2.031 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)cc2F)CCC1 ZINC001484649015 1191454988 /nfs/dbraw/zinc/45/49/88/1191454988.db2.gz CLPWSJPJHAKJJU-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(C2CC2)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272687947 1191462531 /nfs/dbraw/zinc/46/25/31/1191462531.db2.gz DLRYSVKVZZZCEX-DOMZBBRYSA-N 2 0 336.505 2.099 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001484692011 1191468747 /nfs/dbraw/zinc/46/87/47/1191468747.db2.gz AYSTWIFNGJBJOE-QGZVFWFLSA-N 2 0 341.540 2.218 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](Cc3cc(C)no3)C2)C1 ZINC001484829746 1191537775 /nfs/dbraw/zinc/53/77/75/1191537775.db2.gz IVCQFYQMKGIGAM-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001484907396 1191570556 /nfs/dbraw/zinc/57/05/56/1191570556.db2.gz VOGRNBVQCQMBBE-PKOBYXMFSA-N 2 0 341.499 2.152 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001484920433 1191575843 /nfs/dbraw/zinc/57/58/43/1191575843.db2.gz BGYZTWWOCLAHSO-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)oc1C ZINC001484922015 1191576206 /nfs/dbraw/zinc/57/62/06/1191576206.db2.gz HCSWFLGQOOVUFN-UHFFFAOYSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484936026 1191580040 /nfs/dbraw/zinc/58/00/40/1191580040.db2.gz AKVDASFXFXXUMP-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001484994483 1191609726 /nfs/dbraw/zinc/60/97/26/1191609726.db2.gz XHHMKNSOHFPQAR-ZNMIVQPWSA-N 2 0 333.467 2.492 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001485071748 1191641992 /nfs/dbraw/zinc/64/19/92/1191641992.db2.gz WIJDZVLERBXWRR-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001485100863 1191652053 /nfs/dbraw/zinc/65/20/53/1191652053.db2.gz MFYKBSHJRYTKKA-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ncc(Cl)s2)C1)[NH+](C)C ZINC001485107160 1191656610 /nfs/dbraw/zinc/65/66/10/1191656610.db2.gz HNXWYKOCBAJHMJ-MCIGGMRASA-N 2 0 344.912 2.121 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485186103 1191681393 /nfs/dbraw/zinc/68/13/93/1191681393.db2.gz MSDLEKUFLORTBU-HUUCEWRRSA-N 2 0 342.487 2.493 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001485307692 1191726965 /nfs/dbraw/zinc/72/69/65/1191726965.db2.gz BNHPKCGSFOTKOX-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CCc1ccc(F)c(F)c1 ZINC001485389357 1191776050 /nfs/dbraw/zinc/77/60/50/1191776050.db2.gz SVCXUSHNYKVZHN-CQSZACIVSA-N 2 0 341.446 2.284 10 0 EEAERP Cc1cncc(C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCCC2)c1 ZINC001485459294 1191797294 /nfs/dbraw/zinc/79/72/94/1191797294.db2.gz ZGZFJKFMFXGNDW-UHFFFAOYSA-N 2 0 344.503 2.395 10 0 EEAERP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001486244918 1193770641 /nfs/dbraw/zinc/77/06/41/1193770641.db2.gz PKEDVVPYRUQCEV-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001486446727 1193961343 /nfs/dbraw/zinc/96/13/43/1193961343.db2.gz XIMMQCPULZRKIC-GOEBONIOSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001486465509 1193980363 /nfs/dbraw/zinc/98/03/63/1193980363.db2.gz IGZYXMSOGLROID-YMAMQOFZSA-N 2 0 338.883 2.154 10 0 EEAERP Cc1cc(CN2CC=C(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001486519659 1194040119 /nfs/dbraw/zinc/04/01/19/1194040119.db2.gz WNCLNNBGPHKGEZ-MRXNPFEDSA-N 2 0 348.516 2.042 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)s1 ZINC001410211903 1197605850 /nfs/dbraw/zinc/60/58/50/1197605850.db2.gz QMEWJLCKNSTEEE-DZKIICNBSA-N 2 0 338.521 2.022 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CCNC(=O)C2([NH+](C)C)CCC2)C(C)C)o1 ZINC001410245440 1197629551 /nfs/dbraw/zinc/62/95/51/1197629551.db2.gz BQBFXYVIVMUHPN-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC(F)(F)F ZINC001410254290 1197638894 /nfs/dbraw/zinc/63/88/94/1197638894.db2.gz UPWPEXATPNEVHJ-HUUCEWRRSA-N 2 0 349.441 2.401 10 0 EEAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cn1 ZINC001410378723 1197773345 /nfs/dbraw/zinc/77/33/45/1197773345.db2.gz ITOPAHHUNNBKKJ-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000866011025 1198453398 /nfs/dbraw/zinc/45/33/98/1198453398.db2.gz SVKPXGGQFZSQRC-CHWSQXEVSA-N 3 0 330.398 2.276 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nc(-c3ccc(F)cc3)no2)C[C@H]1C[NH+](C)C ZINC000866009938 1198453757 /nfs/dbraw/zinc/45/37/57/1198453757.db2.gz ABIDDOKVOCDTGV-HUUCEWRRSA-N 2 0 347.438 2.051 10 0 EEAERP CCCC(=O)c1ncccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010017 1198453789 /nfs/dbraw/zinc/45/37/89/1198453789.db2.gz DVZDQCRKLQBIAH-HZPDHXFCSA-N 2 0 332.492 2.240 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)CC[NH+](C)C)CCC[C@@H]23)c(C)n1 ZINC001410884224 1198532108 /nfs/dbraw/zinc/53/21/08/1198532108.db2.gz AVOSBBLBVKBKEQ-QUCCMNQESA-N 2 0 344.503 2.263 10 0 EEAERP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1cncs1 ZINC001493029744 1198577281 /nfs/dbraw/zinc/57/72/81/1198577281.db2.gz VWPNLUWZBKYGAM-MRXNPFEDSA-N 2 0 338.521 2.344 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC(F)(F)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875752476 1199371907 /nfs/dbraw/zinc/37/19/07/1199371907.db2.gz NUDYWUOSOVBRSC-ZIAGYGMSSA-N 2 0 348.482 2.049 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000869765347 1200265167 /nfs/dbraw/zinc/26/51/67/1200265167.db2.gz JNBOMOOMQFBPDF-ZACQAIPSSA-N 2 0 339.524 2.065 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870880223 1200929042 /nfs/dbraw/zinc/92/90/42/1200929042.db2.gz PIAZTDACFZORQS-UWVAXJGDSA-N 2 0 345.487 2.151 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866411861 1201510190 /nfs/dbraw/zinc/51/01/90/1201510190.db2.gz XNZHHHDYDDKHBP-YSIASYRMSA-N 2 0 345.531 2.332 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000866517980 1201538292 /nfs/dbraw/zinc/53/82/92/1201538292.db2.gz QBRSKZCVOPSABA-UHFFFAOYSA-N 2 0 330.538 2.442 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCn2ccnc2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001691729012 1204241214 /nfs/dbraw/zinc/24/12/14/1204241214.db2.gz VKQJINAYNRNQLH-WBVHZDCISA-N 2 0 345.447 2.068 10 0 EEAERP Cc1cnc([C@H](C)NC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001274025302 1204331361 /nfs/dbraw/zinc/33/13/61/1204331361.db2.gz KIRZLUFLZRKZBM-XFCCUVRLSA-N 2 0 334.464 2.179 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)C(C)(C)C1 ZINC001274453228 1205043271 /nfs/dbraw/zinc/04/32/71/1205043271.db2.gz HYJRCDYNHXZHOA-HOTGVXAUSA-N 2 0 336.480 2.087 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275405590 1205343937 /nfs/dbraw/zinc/34/39/37/1205343937.db2.gz ICFMRNSNSWKSMC-GJZGRUSLSA-N 2 0 337.895 2.319 10 0 EEAERP CCN1CC[C@@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605506 1205449040 /nfs/dbraw/zinc/44/90/40/1205449040.db2.gz XISXLFSCMZSVMU-IAGOWNOFSA-N 2 0 331.460 2.043 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001275977210 1205614525 /nfs/dbraw/zinc/61/45/25/1205614525.db2.gz OBUJKJVUTQDEHP-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001276006559 1205631320 /nfs/dbraw/zinc/63/13/20/1205631320.db2.gz AGZYAIFZRBGUKW-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001276051720 1205753035 /nfs/dbraw/zinc/75/30/35/1205753035.db2.gz BCEGDGWRWABCBU-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001276298715 1205873783 /nfs/dbraw/zinc/87/37/83/1205873783.db2.gz ZZBSSJRVRHKDJG-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000924543622 1205993594 /nfs/dbraw/zinc/99/35/94/1205993594.db2.gz AQXJMXOWQSXWAG-INYHJIAOSA-N 2 0 335.517 2.051 10 0 EEAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924628904 1206006297 /nfs/dbraw/zinc/00/62/97/1206006297.db2.gz XPWPAPLOTNPBMQ-MJGOQNOKSA-N 2 0 334.508 2.253 10 0 EEAERP O=C(NCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1F ZINC000925497481 1206119590 /nfs/dbraw/zinc/11/95/90/1206119590.db2.gz ZWZAQRDFXUWBAS-AEFFLSMTSA-N 2 0 333.451 2.313 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925593969 1206133593 /nfs/dbraw/zinc/13/35/93/1206133593.db2.gz BEVMRTFSWBDUHP-IKGGRYGDSA-N 2 0 333.451 2.312 10 0 EEAERP COc1ccc([C@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000925778927 1206153606 /nfs/dbraw/zinc/15/36/06/1206153606.db2.gz VHZJDZFJVPKBAP-OIISXLGYSA-N 2 0 339.430 2.323 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000925784616 1206153791 /nfs/dbraw/zinc/15/37/91/1206153791.db2.gz SMYRYNMAESPKIG-ZXFNITATSA-N 2 0 341.455 2.181 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925907059 1206166553 /nfs/dbraw/zinc/16/65/53/1206166553.db2.gz WQFLUPDNTYUPJS-ZWKOTPCHSA-N 2 0 347.507 2.200 10 0 EEAERP O[C@H](CC[C@@H](O)c1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929834732 1206506744 /nfs/dbraw/zinc/50/67/44/1206506744.db2.gz KHHLFVXREPYGQM-WOJBJXKFSA-N 2 0 341.455 2.078 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000931704672 1207444634 /nfs/dbraw/zinc/44/46/34/1207444634.db2.gz YXCQQVDWNPWYRX-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C[C@H]3CCC[NH+]3C)C2)O1 ZINC000931703426 1207444832 /nfs/dbraw/zinc/44/48/32/1207444832.db2.gz IZYDIMLKQYBUAT-TYPHKJRUSA-N 2 0 343.515 2.446 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001490857263 1210208254 /nfs/dbraw/zinc/20/82/54/1210208254.db2.gz BWOQTPKFZPIXNE-OALUTQOASA-N 2 0 329.488 2.070 10 0 EEAERP Cc1ncc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)n1C ZINC000717948831 1211660696 /nfs/dbraw/zinc/66/06/96/1211660696.db2.gz BXXFIZKQGADNBN-UHFFFAOYSA-N 2 0 342.487 2.235 10 0 EEAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000718009691 1211700713 /nfs/dbraw/zinc/70/07/13/1211700713.db2.gz BTSATYIIWFEDDG-QGZVFWFLSA-N 2 0 342.487 2.488 10 0 EEAERP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001413048114 1217395320 /nfs/dbraw/zinc/39/53/20/1217395320.db2.gz SWVOQAGMIHZHIY-XUVXKRRUSA-N 2 0 338.536 2.485 10 0 EEAERP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900158404 1234054355 /nfs/dbraw/zinc/05/43/55/1234054355.db2.gz VXFLYLKZTUURQC-IBGZPJMESA-N 2 0 333.476 2.314 10 0 EEAERP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)CC[NH+](C)C ZINC001413100889 1234139274 /nfs/dbraw/zinc/13/92/74/1234139274.db2.gz IWURKRQOJOBACO-AWEZNQCLSA-N 2 0 337.464 2.162 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H]1c1cccs1 ZINC000900825702 1234870286 /nfs/dbraw/zinc/87/02/86/1234870286.db2.gz AJOYWQNKYFCLSA-ZBFHGGJFSA-N 2 0 333.501 2.343 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900915321 1234997088 /nfs/dbraw/zinc/99/70/88/1234997088.db2.gz OJUDIPBRRWTSRP-GOSISDBHSA-N 2 0 327.472 2.205 10 0 EEAERP C[NH+](C)[C@@]1(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCSC1 ZINC000900947130 1235032417 /nfs/dbraw/zinc/03/24/17/1235032417.db2.gz WZLMJSPKNCAMRJ-GOSISDBHSA-N 2 0 346.500 2.458 10 0 EEAERP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000901157428 1235292963 /nfs/dbraw/zinc/29/29/63/1235292963.db2.gz NZJAGHATXQLKIP-CAMMJAKZSA-N 2 0 331.504 2.479 10 0 EEAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1COc2ccccc2C1 ZINC000902800933 1238561859 /nfs/dbraw/zinc/56/18/59/1238561859.db2.gz XQHQMXJLSWFLFN-QXAKKESOSA-N 2 0 332.488 2.453 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)(N2CCCCC2)CC1 ZINC000902820685 1238616875 /nfs/dbraw/zinc/61/68/75/1238616875.db2.gz DLEMKJJYJMRKRD-WKWVNEEDSA-N 2 0 347.547 2.340 10 0 EEAERP c1cnc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)nc1 ZINC000903071914 1239664964 /nfs/dbraw/zinc/66/49/64/1239664964.db2.gz GHUWARXOPZGNSS-UNPWZGGWSA-N 2 0 327.476 2.193 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(OC)c1Cl)C2 ZINC000903492865 1240658589 /nfs/dbraw/zinc/65/85/89/1240658589.db2.gz JQIIWHQBCBULKY-AHIWAGSCSA-N 2 0 338.835 2.061 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(OCCC(C)C)CC2)cnn1C ZINC000903884456 1242313221 /nfs/dbraw/zinc/31/32/21/1242313221.db2.gz AKPHMSRIUFBXMQ-QGZVFWFLSA-N 2 0 336.524 2.373 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cnn1C ZINC000903925141 1242520027 /nfs/dbraw/zinc/52/00/27/1242520027.db2.gz KSQHOKGSPNAMAU-SOLBZPMBSA-N 2 0 336.524 2.277 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)cnn1C ZINC000903937116 1242580356 /nfs/dbraw/zinc/58/03/56/1242580356.db2.gz BODQDUQPIZQIOS-DYESRHJHSA-N 2 0 338.499 2.436 10 0 EEAERP C[C@]1(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)COC(=O)N1 ZINC000903987181 1242884656 /nfs/dbraw/zinc/88/46/56/1242884656.db2.gz YBMILQOPCBHOFP-QGZVFWFLSA-N 2 0 335.473 2.104 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000827366079 1247957680 /nfs/dbraw/zinc/95/76/80/1247957680.db2.gz YXHTZFDWEBMXQQ-SWLSCSKDSA-N 2 0 338.883 2.281 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001491030531 1258587948 /nfs/dbraw/zinc/58/79/48/1258587948.db2.gz XWFADAMPYFADMU-HZSPNIEDSA-N 2 0 335.414 2.440 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C/C=C/c3ccccc3)C[C@H]21 ZINC001491338101 1258966330 /nfs/dbraw/zinc/96/63/30/1258966330.db2.gz DKSBNVHBVOZWKE-CCFOBEKMSA-N 2 0 327.472 2.086 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001491454453 1259097872 /nfs/dbraw/zinc/09/78/72/1259097872.db2.gz JLOGBPJNKPLEPN-QAPCUYQASA-N 2 0 333.476 2.162 10 0 EEAERP CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001267885424 1276741608 /nfs/dbraw/zinc/74/16/08/1276741608.db2.gz ROIDLKADNKBCKO-PBHICJAKSA-N 2 0 333.480 2.028 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1occc1Br ZINC000850354031 1277196328 /nfs/dbraw/zinc/19/63/28/1277196328.db2.gz SLXXPDLDLVOKQU-LBPRGKRZSA-N 2 0 332.286 2.404 10 0 EEAERP COc1ccc([C@@H](C)[NH2+][C@H]2CCNC2=O)cc1C[NH+]1CCCCC1 ZINC000850481880 1277241959 /nfs/dbraw/zinc/24/19/59/1277241959.db2.gz OHWPPEZEVPKYKK-PBHICJAKSA-N 2 0 331.460 2.220 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000850500756 1277248929 /nfs/dbraw/zinc/24/89/29/1277248929.db2.gz JDDFROIQCRHTQX-JJXSEGSLSA-N 2 0 331.595 2.228 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273609965 1281121787 /nfs/dbraw/zinc/12/17/87/1281121787.db2.gz FVPVLNXSCGWYRF-MRXNPFEDSA-N 2 0 342.487 2.448 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1 ZINC001413683585 1286553866 /nfs/dbraw/zinc/55/38/66/1286553866.db2.gz KKXRNLYIDXFXOP-SZMVWBNQSA-N 2 0 332.492 2.311 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCc2ccccc21)C(=O)C[NH+]1CCCC1 ZINC001488694895 1290138803 /nfs/dbraw/zinc/13/88/03/1290138803.db2.gz WWVNECIDWSVBRA-PKOBYXMFSA-N 2 0 327.472 2.302 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001488850995 1290246773 /nfs/dbraw/zinc/24/67/73/1290246773.db2.gz JISWCZKWQMRMRO-RBSFLKMASA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCOC1CCC1 ZINC001489268973 1290479372 /nfs/dbraw/zinc/47/93/72/1290479372.db2.gz DNADVCKZPRNIQF-NUJGCVRESA-N 2 0 337.508 2.009 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)cn1 ZINC001490281846 1291110779 /nfs/dbraw/zinc/11/07/79/1291110779.db2.gz OBIFWZGMRFHJQF-QGZVFWFLSA-N 2 0 347.507 2.160 10 0 EEAERP CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490605593 1291515752 /nfs/dbraw/zinc/51/57/52/1291515752.db2.gz HMGUHPWFYGTECL-CWIOURORSA-N 2 0 331.504 2.409 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852871392 1292223351 /nfs/dbraw/zinc/22/33/51/1292223351.db2.gz NCIACYZTPJZMFU-VQIMIIECSA-N 2 0 327.472 2.323 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001491171035 1299651237 /nfs/dbraw/zinc/65/12/37/1299651237.db2.gz SWZGNNXSBHULNE-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP Cc1c(C(=O)NC[C@H]2CC[N@H+]2CCCOC(C)C)ccc2c[nH+]cn21 ZINC001276877244 1300053468 /nfs/dbraw/zinc/05/34/68/1300053468.db2.gz XHJXPXQWFCEGOV-MRXNPFEDSA-N 2 0 344.459 2.262 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001277315476 1302328523 /nfs/dbraw/zinc/32/85/23/1302328523.db2.gz VILUIYIKQJLIJQ-MRXNPFEDSA-N 2 0 346.519 2.496 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404661 1315591943 /nfs/dbraw/zinc/59/19/43/1315591943.db2.gz KDRRPJZFWXZEQY-WMZOPIPTSA-N 2 0 347.507 2.096 10 0 EEAERP CCCN(C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)C1CC[NH2+]CC1 ZINC000841848828 1315622835 /nfs/dbraw/zinc/62/28/35/1315622835.db2.gz XRVVAODUAGTQLA-HNNXBMFYSA-N 2 0 338.883 2.424 10 0 EEAERP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000842472322 1315711926 /nfs/dbraw/zinc/71/19/26/1315711926.db2.gz WKDHRAHTAGSVFT-QAPCUYQASA-N 2 0 331.460 2.488 10 0 EEAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccn1 ZINC001278527480 1317147456 /nfs/dbraw/zinc/14/74/56/1317147456.db2.gz SXNMGFNXRDJBAN-WMZOPIPTSA-N 2 0 332.492 2.283 10 0 EEAERP COc1ccccc1CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567196 1322500725 /nfs/dbraw/zinc/50/07/25/1322500725.db2.gz DHUMCNQMQMPXLD-INIZCTEOSA-N 2 0 347.503 2.064 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCCc3ccccc3)C2)C1 ZINC001263850155 1322536766 /nfs/dbraw/zinc/53/67/66/1322536766.db2.gz HZACDJNIKJRNJX-SLFFLAALSA-N 2 0 343.515 2.445 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264679802 1322780958 /nfs/dbraw/zinc/78/09/58/1322780958.db2.gz LNKQUXKCVVPOPJ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001265499127 1323184752 /nfs/dbraw/zinc/18/47/52/1323184752.db2.gz VXJUKTNHRUHQGX-BRSBDYLESA-N 2 0 337.508 2.057 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cnc(C)o1 ZINC001266092230 1323651724 /nfs/dbraw/zinc/65/17/24/1323651724.db2.gz MYJZWUOSIAXYCA-WMZOPIPTSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CCCC[N@H+]2C)co1 ZINC001266227965 1323804269 /nfs/dbraw/zinc/80/42/69/1323804269.db2.gz BGIGOSFXFDJLHE-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)no1 ZINC001266231356 1323809276 /nfs/dbraw/zinc/80/92/76/1323809276.db2.gz GOXCVXPBNYHMAH-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001280297146 1324147856 /nfs/dbraw/zinc/14/78/56/1324147856.db2.gz RCMKJGQRCABYCP-KRWDZBQOSA-N 2 0 345.487 2.119 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001280745938 1324472065 /nfs/dbraw/zinc/47/20/65/1324472065.db2.gz FTBYDLRLNFTVGW-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CCC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001281047432 1324742279 /nfs/dbraw/zinc/74/22/79/1324742279.db2.gz UQQIHWSJRSTGKQ-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001281047430 1324742555 /nfs/dbraw/zinc/74/25/55/1324742555.db2.gz UQQIHWSJRSTGKQ-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)COCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001282627480 1325754515 /nfs/dbraw/zinc/75/45/15/1325754515.db2.gz OSRIBRMNVFYABI-KRWDZBQOSA-N 2 0 339.524 2.019 10 0 EEAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001282957880 1325853430 /nfs/dbraw/zinc/85/34/30/1325853430.db2.gz JGRYLNWLDRTUFQ-OKZBNKHCSA-N 2 0 333.520 2.489 10 0 EEAERP CCCCOCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001283316964 1326005349 /nfs/dbraw/zinc/00/53/49/1326005349.db2.gz LCJRECGVRNWKGC-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001283612273 1326162150 /nfs/dbraw/zinc/16/21/50/1326162150.db2.gz PAKYCSAJNKLHAR-YQVWRLOYSA-N 2 0 347.503 2.151 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@H]1C ZINC001283924894 1326322046 /nfs/dbraw/zinc/32/20/46/1326322046.db2.gz BFAHAYPLXCMTQO-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1oncc1CN1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001284995434 1326818270 /nfs/dbraw/zinc/81/82/70/1326818270.db2.gz POFOFLMJUBVWCZ-GJZGRUSLSA-N 2 0 346.475 2.104 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001491771102 1330249528 /nfs/dbraw/zinc/24/95/28/1330249528.db2.gz RWYSPXUXKUOLRX-IBGZPJMESA-N 2 0 329.488 2.214 10 0 EEAERP CC[C@H](F)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001491899650 1330295704 /nfs/dbraw/zinc/29/57/04/1330295704.db2.gz KXAVQJYKUUMRSH-ROUUACIJSA-N 2 0 335.467 2.277 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001491944653 1330335622 /nfs/dbraw/zinc/33/56/22/1330335622.db2.gz XCXMOQXMMKMXTG-IRXDYDNUSA-N 2 0 347.507 2.111 10 0 EEAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCc1ccccc1 ZINC001492078190 1330985092 /nfs/dbraw/zinc/98/50/92/1330985092.db2.gz PJLZPXCQJRZPMP-KRWDZBQOSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316684217 1331322398 /nfs/dbraw/zinc/32/23/98/1331322398.db2.gz FHTVIRMVXIFXRL-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC001316845484 1331424281 /nfs/dbraw/zinc/42/42/81/1331424281.db2.gz IZUDVMJZASHDDS-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cncc(F)c1 ZINC001316824483 1331856598 /nfs/dbraw/zinc/85/65/98/1331856598.db2.gz IPGQJUWYWYMDBR-KRWDZBQOSA-N 2 0 336.455 2.032 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCCc3ccccc3)C2)C1 ZINC001316993659 1332034698 /nfs/dbraw/zinc/03/46/98/1332034698.db2.gz PWCGQJOBWDAHPW-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP CCOCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001317099431 1332078472 /nfs/dbraw/zinc/07/84/72/1332078472.db2.gz DGOHVUZJLBXMCF-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NCc1ccc(CC[NH2+]CC2CC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001317366414 1332197276 /nfs/dbraw/zinc/19/72/76/1332197276.db2.gz MHVNAKPOXDBATH-FQEVSTJZSA-N 2 0 341.499 2.187 10 0 EEAERP CC[C@H](C[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1)OC ZINC001317434732 1332238491 /nfs/dbraw/zinc/23/84/91/1332238491.db2.gz JLJYZPPLHYRHCQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317501651 1332268267 /nfs/dbraw/zinc/26/82/67/1332268267.db2.gz DNJRTJQOTCXJRB-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCOCC(C)C ZINC001317512715 1332275755 /nfs/dbraw/zinc/27/57/55/1332275755.db2.gz CKYMLCYXRSHNLI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001317589808 1332312216 /nfs/dbraw/zinc/31/22/16/1332312216.db2.gz UDQRHAIJSBQEHU-QLFBSQMISA-N 2 0 331.451 2.200 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001317609544 1332324794 /nfs/dbraw/zinc/32/47/94/1332324794.db2.gz OPYDZVLQNKXNLZ-UHFFFAOYSA-N 2 0 349.438 2.172 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001317668523 1332361066 /nfs/dbraw/zinc/36/10/66/1332361066.db2.gz DJOIUMHOLVDPHI-IYBDPMFKSA-N 2 0 349.523 2.059 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001317670143 1332362116 /nfs/dbraw/zinc/36/21/16/1332362116.db2.gz QADGIFNXGFMDOW-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318594329 1332565680 /nfs/dbraw/zinc/56/56/80/1332565680.db2.gz HFPPEOLQTRAINI-LSDHHAIUSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001318847787 1332610750 /nfs/dbraw/zinc/61/07/50/1332610750.db2.gz ACCGLDHRRINPFB-ZWKOTPCHSA-N 2 0 344.503 2.142 10 0 EEAERP COCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001319699857 1332745716 /nfs/dbraw/zinc/74/57/16/1332745716.db2.gz YKZYYWILNDNSFW-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCF)C1 ZINC001319769170 1332762841 /nfs/dbraw/zinc/76/28/41/1332762841.db2.gz KORBJZYEXXETKR-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320843695 1332963365 /nfs/dbraw/zinc/96/33/65/1332963365.db2.gz IXMXVCPGCJMPKE-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320861980 1332966782 /nfs/dbraw/zinc/96/67/82/1332966782.db2.gz DVAHVTDVAAJSPO-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321056203 1333006991 /nfs/dbraw/zinc/00/69/91/1333006991.db2.gz CENUZSRVVHUJBK-LXXRFIIISA-N 2 0 348.491 2.180 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001321066079 1333010184 /nfs/dbraw/zinc/01/01/84/1333010184.db2.gz ZAWPRHADLRHWGO-YATRRXNKSA-N 2 0 333.501 2.160 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C\C[NH2+]C/C=C\Cl)C1 ZINC001321252603 1333055952 /nfs/dbraw/zinc/05/59/52/1333055952.db2.gz VUUWLYFELVIKIP-HGZLZHGCSA-N 2 0 331.863 2.213 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cccc(C(F)F)c1)C12CC[NH+](CC1)C2 ZINC001321337666 1333078258 /nfs/dbraw/zinc/07/82/58/1333078258.db2.gz QIMILEDLNZJJEJ-UPHRSURJSA-N 2 0 349.425 2.482 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321562779 1333124462 /nfs/dbraw/zinc/12/44/62/1333124462.db2.gz GMBHPSLTPGEYAD-SJLPKXTDSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001321617390 1333133698 /nfs/dbraw/zinc/13/36/98/1333133698.db2.gz MKBRAOLBAGIHQZ-RHSMWYFYSA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001322003876 1333194155 /nfs/dbraw/zinc/19/41/55/1333194155.db2.gz FSDMFXRVQJBIFX-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](C[N@H+](C)CC[C@@H]1CC1(Cl)Cl)NC(=O)C[NH+]1CCCC1 ZINC001322298401 1333243250 /nfs/dbraw/zinc/24/32/50/1333243250.db2.gz LLXZMFWZOJIOMD-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ncccn1 ZINC001322511789 1333273830 /nfs/dbraw/zinc/27/38/30/1333273830.db2.gz LFYMJUKLQAUCJL-MRXNPFEDSA-N 2 0 347.507 2.240 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001322661661 1333303044 /nfs/dbraw/zinc/30/30/44/1333303044.db2.gz HCJHURCSEWCEAP-IRXDYDNUSA-N 2 0 332.492 2.058 10 0 EEAERP CN(CCC[NH2+]Cc1nc2ccccc2o1)C(=O)C1(C[NH+](C)C)CC1 ZINC001322669010 1333304997 /nfs/dbraw/zinc/30/49/97/1333304997.db2.gz WHLRDLWLOREPQT-UHFFFAOYSA-N 2 0 344.459 2.108 10 0 EEAERP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)CC1CC[NH+](C)CC1 ZINC001322724727 1333314943 /nfs/dbraw/zinc/31/49/43/1333314943.db2.gz URRUNMKZMQTLIC-UHFFFAOYSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001326330914 1334069946 /nfs/dbraw/zinc/06/99/46/1334069946.db2.gz HVOBLUWUGNZBOW-IEBWSBKVSA-N 2 0 329.488 2.417 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326332714 1334070161 /nfs/dbraw/zinc/07/01/61/1334070161.db2.gz NBQLIIXHKLFTKD-CRAIPNDOSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001326351486 1334074307 /nfs/dbraw/zinc/07/43/07/1334074307.db2.gz WHDPMISEFSQQGE-PCRWRXJSSA-N 2 0 336.307 2.475 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001326542094 1334112956 /nfs/dbraw/zinc/11/29/56/1334112956.db2.gz QVEOBGUHZWHQBK-YVSFHVDLSA-N 2 0 327.488 2.341 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001327886795 1334360100 /nfs/dbraw/zinc/36/01/00/1334360100.db2.gz VTJPZQKMISZBHX-PBHICJAKSA-N 2 0 327.432 2.118 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)cc1 ZINC001328713358 1334505540 /nfs/dbraw/zinc/50/55/40/1334505540.db2.gz GYTHKXWLASMNOB-SQNIBIBYSA-N 2 0 348.466 2.402 10 0 EEAERP Cc1ccc(CC[NH2+]CC2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001328941198 1334553088 /nfs/dbraw/zinc/55/30/88/1334553088.db2.gz OGSHMQOOMFLUAC-XEVCZEQESA-N 2 0 343.515 2.364 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001330700803 1334889065 /nfs/dbraw/zinc/88/90/65/1334889065.db2.gz WETFINLNCXWSPV-LVQVYYBASA-N 2 0 343.462 2.248 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330976526 1334939609 /nfs/dbraw/zinc/93/96/09/1334939609.db2.gz JLFYZVHTGRVOGE-UKRRQHHQSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001331920435 1335675912 /nfs/dbraw/zinc/67/59/12/1335675912.db2.gz YHRZGQPFMSNYOA-QAPCUYQASA-N 2 0 335.467 2.343 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001332206952 1335767041 /nfs/dbraw/zinc/76/70/41/1335767041.db2.gz QICPBOIHIJCIRJ-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CN(C(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000849094225 1338837994 /nfs/dbraw/zinc/83/79/94/1338837994.db2.gz XAPNYVIVMSDGPN-MRXNPFEDSA-N 2 0 330.476 2.144 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1)CCC(F)(F)F ZINC001433900572 1341716385 /nfs/dbraw/zinc/71/63/85/1341716385.db2.gz AJNXNTAVXBENJG-AWEZNQCLSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+]1CCCCC1 ZINC001434617000 1341888384 /nfs/dbraw/zinc/88/83/84/1341888384.db2.gz DHAZESKWKAFHCH-SFHVURJKSA-N 2 0 346.523 2.137 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)CC[N@@H+]1C ZINC001434862510 1341972962 /nfs/dbraw/zinc/97/29/62/1341972962.db2.gz WPPRSBBBYVMDRI-BZUAXINKSA-N 2 0 343.462 2.296 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001436400313 1342074755 /nfs/dbraw/zinc/07/47/55/1342074755.db2.gz CLRFZDMQXUFVGS-VPLLLXJESA-N 2 0 344.503 2.247 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001500289298 1342136742 /nfs/dbraw/zinc/13/67/42/1342136742.db2.gz HVSKTRXBQJTQGX-JXFKEZNVSA-N 2 0 345.487 2.433 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001500352248 1342177662 /nfs/dbraw/zinc/17/76/62/1342177662.db2.gz QMTQKYSYUWEDOX-GMRZMDSISA-N 2 0 333.879 2.247 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001673380995 1356680529 /nfs/dbraw/zinc/68/05/29/1356680529.db2.gz PSICNNMNKKXTIA-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001673993844 1356768467 /nfs/dbraw/zinc/76/84/67/1356768467.db2.gz PCPBTIVYRVXFOJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001566757752 1342624762 /nfs/dbraw/zinc/62/47/62/1342624762.db2.gz NPZIRUSMZLEUBO-YRXWBPOGSA-N 2 0 349.519 2.105 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001567138357 1342700736 /nfs/dbraw/zinc/70/07/36/1342700736.db2.gz FYLZDZMUXWPYCS-HNNXBMFYSA-N 2 0 335.517 2.071 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CC[C@H]2CC2(Cl)Cl)C2CC2)C1 ZINC001567454600 1342763969 /nfs/dbraw/zinc/76/39/69/1342763969.db2.gz ZYVFCXGCTLBCTP-STQMWFEESA-N 2 0 348.318 2.103 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001569988300 1342989777 /nfs/dbraw/zinc/98/97/77/1342989777.db2.gz VKNJUPIARNLHFE-ZBFHGGJFSA-N 2 0 343.462 2.344 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001569994556 1342992646 /nfs/dbraw/zinc/99/26/46/1342992646.db2.gz JWAOAANXWZGVAJ-KRWDZBQOSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001570022546 1343001805 /nfs/dbraw/zinc/00/18/05/1343001805.db2.gz WIJCEBVPJBNZNT-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001570378207 1343062632 /nfs/dbraw/zinc/06/26/32/1343062632.db2.gz NDFBZULNHSFLOW-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1C ZINC001571324778 1343181336 /nfs/dbraw/zinc/18/13/36/1343181336.db2.gz NLTGGDBHPMBCBU-CRAIPNDOSA-N 2 0 347.503 2.330 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571542497 1343233153 /nfs/dbraw/zinc/23/31/53/1343233153.db2.gz PCRJFVJNGWZSKM-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP CN(C(=O)c1ccccc1CC[NH+](C)C)C1CC([NH2+]CCCF)C1 ZINC001571660151 1343265058 /nfs/dbraw/zinc/26/50/58/1343265058.db2.gz QHCIXLWXDYWFLT-UHFFFAOYSA-N 2 0 335.467 2.343 10 0 EEAERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001676407161 1357147347 /nfs/dbraw/zinc/14/73/47/1357147347.db2.gz OCANNRVOWXLYNA-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP COCCC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001677028565 1357265326 /nfs/dbraw/zinc/26/53/26/1357265326.db2.gz PSCNNUINBWZSAH-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NCC1=CC[N@H+](Cc2cccnc2)CC1 ZINC001677636600 1357380578 /nfs/dbraw/zinc/38/05/78/1357380578.db2.gz PQEDWEMAVYNFQB-UHFFFAOYSA-N 2 0 342.487 2.206 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)CC[N@@H+]3CC[C@H](F)C3)cc2)CC1 ZINC001628655661 1352539849 /nfs/dbraw/zinc/53/98/49/1352539849.db2.gz NCXRTRZDYCFQNW-INIZCTEOSA-N 2 0 348.466 2.201 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001649439378 1353505655 /nfs/dbraw/zinc/50/56/55/1353505655.db2.gz FECXSGDCQLKESW-INIZCTEOSA-N 2 0 340.471 2.125 10 0 EEAERP c1ccc(N2CCOCC2)c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001650015858 1353688817 /nfs/dbraw/zinc/68/88/17/1353688817.db2.gz WJPLSJGIBNMLKO-FQEVSTJZSA-N 2 0 329.488 2.489 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CC[NH2+]CCC1CC1 ZINC001656454000 1354239529 /nfs/dbraw/zinc/23/95/29/1354239529.db2.gz PZECKKVKUFCNKE-AEFFLSMTSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001656566690 1354248620 /nfs/dbraw/zinc/24/86/20/1354248620.db2.gz DJZDQFVALHKILO-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1CCC[NH2+]CCCF ZINC001656630520 1354254294 /nfs/dbraw/zinc/25/42/94/1354254294.db2.gz GGZMBUXZPVFBLG-IXDOHACOSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1cccc(Cl)n1)C1CCC1 ZINC001660171146 1354410415 /nfs/dbraw/zinc/41/04/15/1354410415.db2.gz XIZAYSMAZLFLSG-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001661434838 1354638518 /nfs/dbraw/zinc/63/85/18/1354638518.db2.gz AYLIUZSKVKAVOT-KZNAEPCWSA-N 2 0 345.487 2.177 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001661436803 1354638873 /nfs/dbraw/zinc/63/88/73/1354638873.db2.gz PNZTZKAZSNSAJW-VJANTYMQSA-N 2 0 349.519 2.057 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001661934206 1354725041 /nfs/dbraw/zinc/72/50/41/1354725041.db2.gz LJWHURVSADHKKJ-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001661977050 1354731795 /nfs/dbraw/zinc/73/17/95/1354731795.db2.gz JNRGCYPAIQBYIZ-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001662765054 1354841038 /nfs/dbraw/zinc/84/10/38/1354841038.db2.gz COKFALZRYUWQAG-SJORKVTESA-N 2 0 337.508 2.057 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001665686666 1355360456 /nfs/dbraw/zinc/36/04/56/1355360456.db2.gz NNKNUZOSXVKXPB-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976250 1355625763 /nfs/dbraw/zinc/62/57/63/1355625763.db2.gz ADSQLOVIGACXKF-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001667033118 1355636859 /nfs/dbraw/zinc/63/68/59/1355636859.db2.gz IIFIGEHVPDLGLM-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001667216332 1355676329 /nfs/dbraw/zinc/67/63/29/1355676329.db2.gz GJHYFWMPVZHIHO-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1 ZINC001667279745 1355697231 /nfs/dbraw/zinc/69/72/31/1355697231.db2.gz YGAIPBAKFLGLFU-HZPDHXFCSA-N 2 0 336.505 2.098 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001667302100 1355703937 /nfs/dbraw/zinc/70/39/37/1355703937.db2.gz PTVFMNOBCSYTDG-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001667759255 1355808508 /nfs/dbraw/zinc/80/85/08/1355808508.db2.gz WLKJLCIUUAQOFW-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001668066566 1355861345 /nfs/dbraw/zinc/86/13/45/1355861345.db2.gz YCHCYKDCNQZCAY-NJZAAPMLSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668235186 1355906240 /nfs/dbraw/zinc/90/62/40/1355906240.db2.gz ZRXAPOAVXNMGNP-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP CCN(CC[NH2+]CC1CCCC1)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001668435447 1355940272 /nfs/dbraw/zinc/94/02/72/1355940272.db2.gz GDWVHYFDTDJACY-GOSISDBHSA-N 2 0 347.507 2.418 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668641781 1355978199 /nfs/dbraw/zinc/97/81/99/1355978199.db2.gz UHZVSCWWFALNDZ-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668828498 1356014479 /nfs/dbraw/zinc/01/44/79/1356014479.db2.gz PYBHGBPVTJVDCQ-HMECNJMJSA-N 2 0 327.472 2.099 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001670158472 1356287346 /nfs/dbraw/zinc/28/73/46/1356287346.db2.gz UXPGLMVFLWEUOS-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cccc(CCC[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001670345776 1356324133 /nfs/dbraw/zinc/32/41/33/1356324133.db2.gz ZILRTEKBTYFLLO-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001671379023 1356333848 /nfs/dbraw/zinc/33/38/48/1356333848.db2.gz LNJHVNCQWXXYQM-UXHICEINSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C[NH2+]CCF ZINC001672299883 1356497365 /nfs/dbraw/zinc/49/73/65/1356497365.db2.gz PMKONXQRMNPAFD-JKSUJKDBSA-N 2 0 327.488 2.152 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001673390765 1356684240 /nfs/dbraw/zinc/68/42/40/1356684240.db2.gz HIAIDHAOAZOCBS-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC001673402689 1356686395 /nfs/dbraw/zinc/68/63/95/1356686395.db2.gz WJGTXPMFCSOBSN-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001673962042 1356765488 /nfs/dbraw/zinc/76/54/88/1356765488.db2.gz SDQKBUZTQBSJFB-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001698861018 1405116587 /nfs/dbraw/zinc/11/65/87/1405116587.db2.gz RMQAYLHXHHXNDI-FUHWJXTLSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001699577495 1405402111 /nfs/dbraw/zinc/40/21/11/1405402111.db2.gz UBLMCSOTJCAUJX-ZBFHGGJFSA-N 2 0 327.488 2.483 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001699765569 1405474326 /nfs/dbraw/zinc/47/43/26/1405474326.db2.gz IHMYTNAJHROYFX-HOTGVXAUSA-N 2 0 343.462 2.488 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000819060386 785380344 /nfs/dbraw/zinc/38/03/44/785380344.db2.gz HPMWGPOBTVBCAC-PMACEKPBSA-N 2 0 333.520 2.198 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccnc(Cl)c1Cl ZINC000912303050 788086907 /nfs/dbraw/zinc/08/69/07/788086907.db2.gz HZILUCVFFRNXNT-NSHDSACASA-N 2 0 347.290 2.390 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711249046 788561176 /nfs/dbraw/zinc/56/11/76/788561176.db2.gz KEECKTQAPOHNPQ-NXHRZFHOSA-N 2 0 329.488 2.401 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)CN1CCc2ccccc2C1 ZINC000921525310 788844449 /nfs/dbraw/zinc/84/44/49/788844449.db2.gz QMWADSUDULATPT-GFOJFJKKSA-N 2 0 344.499 2.200 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923322901 789381148 /nfs/dbraw/zinc/38/11/48/789381148.db2.gz BTVPTFVKMYFUSB-HXUWFJFHSA-N 3 0 343.515 2.209 10 0 EEAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844922912 789464512 /nfs/dbraw/zinc/46/45/12/789464512.db2.gz ORXVVQPLAAXAQJ-LLVKDONJSA-N 2 0 332.416 2.463 10 0 EEAERP O[C@H](COc1ccccc1F)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923388921 789485656 /nfs/dbraw/zinc/48/56/56/789485656.db2.gz PPGZQVOWWSNEBE-IRXDYDNUSA-N 2 0 336.451 2.277 10 0 EEAERP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451778 789583911 /nfs/dbraw/zinc/58/39/11/789583911.db2.gz CWOAKWIEKAPRJE-DLBZAZTESA-N 2 0 339.524 2.147 10 0 EEAERP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000923497254 789671026 /nfs/dbraw/zinc/67/10/26/789671026.db2.gz AWJIRJYOYAJYKT-WBVHZDCISA-N 2 0 345.487 2.103 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509278 789695222 /nfs/dbraw/zinc/69/52/22/789695222.db2.gz ZRZCDPCHEMUYPC-JBACZVJFSA-N 3 0 345.531 2.019 10 0 EEAERP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503633 789700453 /nfs/dbraw/zinc/70/04/53/789700453.db2.gz JVFXKONSNHPOGT-SPERMZCTSA-N 2 0 333.520 2.377 10 0 EEAERP COC(=O)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]([C@H]2CCCO2)C1 ZINC000923556822 789774739 /nfs/dbraw/zinc/77/47/39/789774739.db2.gz XZXHGWLXGKXLRK-KZNAEPCWSA-N 2 0 338.492 2.199 10 0 EEAERP Cc1cnc(Cl)c(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000921715070 795590666 /nfs/dbraw/zinc/59/06/66/795590666.db2.gz BASHLCFOFHZXAF-UHFFFAOYSA-N 2 0 338.883 2.076 10 0 EEAERP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1=O ZINC000716651595 796404987 /nfs/dbraw/zinc/40/49/87/796404987.db2.gz QXTLUSSEPVOOPZ-RDGPPVDQSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677578 796405974 /nfs/dbraw/zinc/40/59/74/796405974.db2.gz GNSAQHPAPTYBCX-HZEGPAAWSA-N 2 0 343.515 2.350 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(C[NH+]2CCCC2)CC1 ZINC000916019729 797477624 /nfs/dbraw/zinc/47/76/24/797477624.db2.gz UUKJIQVULBRNDL-QGZVFWFLSA-N 2 0 338.565 2.153 10 0 EEAERP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)C2 ZINC000922391756 800955956 /nfs/dbraw/zinc/95/59/56/800955956.db2.gz ZKSPGXYLDLOAPO-WERVVEIQSA-N 2 0 346.515 2.483 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1cccnc1C ZINC001436440994 1087837962 /nfs/dbraw/zinc/83/79/62/1087837962.db2.gz RZZGLQHXADYBDN-RBUKOAKNSA-N 2 0 344.503 2.343 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC(F)(F)C2)[C@@H]1CC ZINC001436447106 1087865134 /nfs/dbraw/zinc/86/51/34/1087865134.db2.gz SVHPYCBCOWARGX-LSDHHAIUSA-N 2 0 331.451 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001436477676 1087950918 /nfs/dbraw/zinc/95/09/18/1087950918.db2.gz POUJAECRUAGUOG-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436499511 1088018195 /nfs/dbraw/zinc/01/81/95/1088018195.db2.gz NKZMPPXOHZOODI-HZPDHXFCSA-N 2 0 347.507 2.096 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001436503130 1088036890 /nfs/dbraw/zinc/03/68/90/1088036890.db2.gz ZWLLTXLHTRMFGR-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP COc1cccc(CCC[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001436745430 1088234305 /nfs/dbraw/zinc/23/43/05/1088234305.db2.gz OLCQBBYENWJJRU-SFHVURJKSA-N 2 0 347.503 2.159 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436957714 1088645493 /nfs/dbraw/zinc/64/54/93/1088645493.db2.gz FCDBGKCISYGLSB-FGPQALJGSA-N 2 0 335.879 2.394 10 0 EEAERP CC[C@H]([NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001437232998 1089331381 /nfs/dbraw/zinc/33/13/81/1089331381.db2.gz CFBDKTLKAZAJKG-YOEHRIQHSA-N 2 0 333.451 2.467 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001437327871 1089500003 /nfs/dbraw/zinc/50/00/03/1089500003.db2.gz VXDMWZNFFGOUHB-JKSUJKDBSA-N 2 0 336.480 2.094 10 0 EEAERP CC[C@@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437353211 1089569629 /nfs/dbraw/zinc/56/96/29/1089569629.db2.gz PCQWEEOEKGBTNL-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001437379667 1089626446 /nfs/dbraw/zinc/62/64/46/1089626446.db2.gz CKWHLBMECWHQRP-HUUCEWRRSA-N 2 0 336.480 2.267 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCc1ccc(C)cc1 ZINC001437641640 1090159771 /nfs/dbraw/zinc/15/97/71/1090159771.db2.gz QFZHJELRZJSYRX-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001438158838 1090672370 /nfs/dbraw/zinc/67/23/70/1090672370.db2.gz LTYXXVNPIXPSOI-KRWDZBQOSA-N 2 0 333.451 2.046 10 0 EEAERP CC(C)[C@H](C(=O)NCC1C[NH+](Cc2ccsc2)C1)[NH+]1CCCC1 ZINC001438163772 1090677126 /nfs/dbraw/zinc/67/71/26/1090677126.db2.gz ZODSPOKONYMHNZ-QGZVFWFLSA-N 2 0 335.517 2.417 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438366892 1090842106 /nfs/dbraw/zinc/84/21/06/1090842106.db2.gz LRRSEPMGEXUYIW-MOPGFXCFSA-N 2 0 331.504 2.228 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CCOCC1 ZINC001438378748 1090861132 /nfs/dbraw/zinc/86/11/32/1090861132.db2.gz RVXDOSYYVGIAQS-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(CF)cc1 ZINC001438548076 1091040523 /nfs/dbraw/zinc/04/05/23/1091040523.db2.gz VCPRQQANPBSXHD-HNNXBMFYSA-N 2 0 333.451 2.094 10 0 EEAERP Cc1ncsc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001438611542 1091100798 /nfs/dbraw/zinc/10/07/98/1091100798.db2.gz ILXCXXMZUXIMKF-UHFFFAOYSA-N 2 0 336.505 2.066 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438678104 1091172594 /nfs/dbraw/zinc/17/25/94/1091172594.db2.gz DIESQTJHVKEINX-DLBZAZTESA-N 2 0 346.519 2.031 10 0 EEAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001445421209 1091173748 /nfs/dbraw/zinc/17/37/48/1091173748.db2.gz PZLMRXSUNHUMEB-CQSZACIVSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438707829 1091221033 /nfs/dbraw/zinc/22/10/33/1091221033.db2.gz HJINKUHIIWRSHP-HOTGVXAUSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001438818351 1091435259 /nfs/dbraw/zinc/43/52/59/1091435259.db2.gz STODZAOCKLMVRF-PBHICJAKSA-N 2 0 347.438 2.359 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC001438842023 1091475636 /nfs/dbraw/zinc/47/56/36/1091475636.db2.gz QITSGXYIFYHMCR-DLBZAZTESA-N 2 0 341.540 2.121 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001438938461 1091620206 /nfs/dbraw/zinc/62/02/06/1091620206.db2.gz QHFNBDOBFIMBLN-IBGZPJMESA-N 2 0 346.519 2.401 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001439160215 1091803745 /nfs/dbraw/zinc/80/37/45/1091803745.db2.gz ZAISCRYDZRFVSO-UKRRQHHQSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001439165058 1091811279 /nfs/dbraw/zinc/81/12/79/1091811279.db2.gz ALMFXQVZMMPLID-GFCCVEGCSA-N 2 0 339.842 2.169 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001439329442 1092014323 /nfs/dbraw/zinc/01/43/23/1092014323.db2.gz ARVLAUZZVNCLOL-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446073860 1092092279 /nfs/dbraw/zinc/09/22/79/1092092279.db2.gz RADYEBPIUWUJPM-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001446163198 1092213930 /nfs/dbraw/zinc/21/39/30/1092213930.db2.gz RXWDTVXEFPYGBB-ROUUACIJSA-N 2 0 327.472 2.397 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001439474784 1092268008 /nfs/dbraw/zinc/26/80/08/1092268008.db2.gz SEWYMUBUKSKPHA-LJQANCHMSA-N 2 0 329.488 2.111 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001446295523 1092459888 /nfs/dbraw/zinc/45/98/88/1092459888.db2.gz RBLMWHGABFRWJO-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1conc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001439687256 1092631676 /nfs/dbraw/zinc/63/16/76/1092631676.db2.gz NATDVCMWFNYKDA-ALOPSCKCSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001439697547 1092649292 /nfs/dbraw/zinc/64/92/92/1092649292.db2.gz AGPPQGXQFPQZEC-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001440153818 1093214423 /nfs/dbraw/zinc/21/44/23/1093214423.db2.gz ZKVZQYHVGRMEMP-HRCADAONSA-N 2 0 343.462 2.152 10 0 EEAERP COCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001448378153 1093353834 /nfs/dbraw/zinc/35/38/34/1093353834.db2.gz AWSGXMFEMPYGOR-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001448427277 1093439145 /nfs/dbraw/zinc/43/91/45/1093439145.db2.gz KADFPKLCWWEUSB-OWZKRDHZSA-N 2 0 343.515 2.385 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001448473517 1093489214 /nfs/dbraw/zinc/48/92/14/1093489214.db2.gz QJVGBYHXANVBQT-YESZJQIVSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH2+]CC2CC2)C1 ZINC001440423051 1093618898 /nfs/dbraw/zinc/61/88/98/1093618898.db2.gz WEKSUISMHJAPDP-HUUCEWRRSA-N 2 0 349.441 2.353 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001440483562 1093716101 /nfs/dbraw/zinc/71/61/01/1093716101.db2.gz QHSLCDLRWXCWFB-GJZGRUSLSA-N 2 0 336.480 2.136 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCO[C@H](C)C2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440533784 1093796790 /nfs/dbraw/zinc/79/67/90/1093796790.db2.gz USEBIGLFCTVUBX-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001448759768 1093831040 /nfs/dbraw/zinc/83/10/40/1093831040.db2.gz HRPOIYSRCIQFMB-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001448764037 1093837409 /nfs/dbraw/zinc/83/74/09/1093837409.db2.gz OEHBXQNSJUBIQF-CXAGYDPISA-N 2 0 341.446 2.488 10 0 EEAERP CCc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001448788827 1093868798 /nfs/dbraw/zinc/86/87/98/1093868798.db2.gz QPFMIGRASGOWAO-KRWDZBQOSA-N 2 0 331.504 2.324 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]C/C=C\Cl)C1 ZINC001440722616 1093966965 /nfs/dbraw/zinc/96/69/65/1093966965.db2.gz RYTJIBFGWLKWFF-NWYKWUHZSA-N 2 0 333.863 2.062 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC(F)(F)F)CC2 ZINC001449020097 1094024881 /nfs/dbraw/zinc/02/48/81/1094024881.db2.gz TVCXMVAJFPXDEX-DZGCQCFKSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440824255 1094077195 /nfs/dbraw/zinc/07/71/95/1094077195.db2.gz BBMKSYUCNQVBQN-HOTGVXAUSA-N 2 0 334.508 2.351 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001449093067 1094104525 /nfs/dbraw/zinc/10/45/25/1094104525.db2.gz RPTKWPDGXYQHQK-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC(C)C)C1 ZINC001449364810 1094331139 /nfs/dbraw/zinc/33/11/39/1094331139.db2.gz FSOITGIHEOZZBY-UONOGXRCSA-N 2 0 337.430 2.353 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001441229463 1094609263 /nfs/dbraw/zinc/60/92/63/1094609263.db2.gz BKCCNAALHLEPJP-PLHDSQEVSA-N 2 0 327.900 2.486 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@H]([NH2+]Cc1cncs1)C1CC1 ZINC001441298570 1094742172 /nfs/dbraw/zinc/74/21/72/1094742172.db2.gz LVQNLKIFIZQNRO-INIZCTEOSA-N 2 0 336.505 2.004 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001441350261 1094862296 /nfs/dbraw/zinc/86/22/96/1094862296.db2.gz FHKYMSHTVJJBAT-BZSNNMDCSA-N 2 0 344.503 2.249 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001441523751 1095224627 /nfs/dbraw/zinc/22/46/27/1095224627.db2.gz LOCYAXHIQNLESF-KFWWJZLASA-N 2 0 331.451 2.391 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CCC(C)(C)C ZINC001441714635 1095693911 /nfs/dbraw/zinc/69/39/11/1095693911.db2.gz GJKVZAVPNUCRPM-HNNXBMFYSA-N 2 0 341.540 2.142 10 0 EEAERP Cc1csc(C[NH2+]C2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)n1 ZINC001441741184 1095731844 /nfs/dbraw/zinc/73/18/44/1095731844.db2.gz OQYZUWQNEBVILE-UHFFFAOYSA-N 2 0 338.521 2.309 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001441830431 1095884519 /nfs/dbraw/zinc/88/45/19/1095884519.db2.gz GUXINUATMUPWPA-HIFRSBDPSA-N 2 0 339.430 2.384 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001441837298 1095904942 /nfs/dbraw/zinc/90/49/42/1095904942.db2.gz NDNHOELBVPVKET-IUODEOHRSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001441848094 1095931390 /nfs/dbraw/zinc/93/13/90/1095931390.db2.gz WYFHSAOXTHYSQC-IAGOWNOFSA-N 2 0 343.515 2.370 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C)on3)[C@H]2C1 ZINC001441869460 1095981291 /nfs/dbraw/zinc/98/12/91/1095981291.db2.gz LAYQLWKBOVUMDY-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001441927111 1096111511 /nfs/dbraw/zinc/11/15/11/1096111511.db2.gz NNBFJGYEYCSBSU-XCRGBYMUSA-N 2 0 327.900 2.438 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001442010819 1096215112 /nfs/dbraw/zinc/21/51/12/1096215112.db2.gz OJTMHKGQPWBADM-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)nsc1C ZINC001442060607 1096272556 /nfs/dbraw/zinc/27/25/56/1096272556.db2.gz GDTCOTGZRPDNAD-BLLLJJGKSA-N 2 0 338.521 2.229 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001442071849 1096284574 /nfs/dbraw/zinc/28/45/74/1096284574.db2.gz XNZOXOVZZYJGIZ-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](Cc2cnccc2C)CC1)[NH+](C)C ZINC001442207545 1096493042 /nfs/dbraw/zinc/49/30/42/1096493042.db2.gz BESYWXIYHZFIHF-APWZRJJASA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001442885364 1097281281 /nfs/dbraw/zinc/28/12/81/1097281281.db2.gz SZGLMFYRVOIZMR-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001442909783 1097316489 /nfs/dbraw/zinc/31/64/89/1097316489.db2.gz KMKFWLUJSSHOMV-HOTGVXAUSA-N 2 0 333.451 2.421 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ccc(C)nc1C ZINC001442952103 1097367742 /nfs/dbraw/zinc/36/77/42/1097367742.db2.gz KDPGZXPYMUPSHB-MRXNPFEDSA-N 2 0 346.519 2.368 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCCN(Cc2cnc(C)o2)C1)[NH+](CC)CC ZINC001443423382 1097924334 /nfs/dbraw/zinc/92/43/34/1097924334.db2.gz VJMKJIRJXJXSMN-NVXWUHKLSA-N 2 0 336.480 2.184 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001443821717 1098323938 /nfs/dbraw/zinc/32/39/38/1098323938.db2.gz YSHIDDCDRUJTAU-ZWKOTPCHSA-N 2 0 335.467 2.399 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001443879098 1098404719 /nfs/dbraw/zinc/40/47/19/1098404719.db2.gz NYJJJGSLWRCILW-GOSISDBHSA-N 2 0 347.478 2.387 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@H](C)c1cnc(C)cn1 ZINC001443976096 1098493836 /nfs/dbraw/zinc/49/38/36/1098493836.db2.gz DCJDHGNOPCLHMB-HZPDHXFCSA-N 2 0 349.523 2.308 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001479486146 1098560552 /nfs/dbraw/zinc/56/05/52/1098560552.db2.gz AKUYRKBRXKXRJF-HRCADAONSA-N 2 0 336.480 2.260 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1F ZINC001444046110 1098570604 /nfs/dbraw/zinc/57/06/04/1098570604.db2.gz YMMDDZIETHTGBF-HNNXBMFYSA-N 2 0 337.414 2.045 10 0 EEAERP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH2+]Cc2ccns2)cc1 ZINC001444199931 1098754366 /nfs/dbraw/zinc/75/43/66/1098754366.db2.gz MXOQVLCFIAINJK-UHFFFAOYSA-N 2 0 344.484 2.145 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001479695248 1098763861 /nfs/dbraw/zinc/76/38/61/1098763861.db2.gz JTTSXAVCVHEBDY-SFHVURJKSA-N 2 0 339.524 2.260 10 0 EEAERP Cc1nsc(C)c1C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001479797204 1099013916 /nfs/dbraw/zinc/01/39/16/1099013916.db2.gz WTZYPJPEBMGKRL-ZDUSSCGKSA-N 2 0 338.521 2.040 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001444440861 1099074749 /nfs/dbraw/zinc/07/47/49/1099074749.db2.gz NLHQYPBBPVGXRV-KXBFYZLASA-N 2 0 346.519 2.415 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cnc(C)o1 ZINC001479855831 1099156485 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AEZMYJTUWCUWNG-CABCVRRESA-N 2 0 336.505 2.002 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480078684 1099622665 /nfs/dbraw/zinc/62/26/65/1099622665.db2.gz MONOSTLKSUGSCH-JKSUJKDBSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444768420 1099666951 /nfs/dbraw/zinc/66/69/51/1099666951.db2.gz AMSNJQBGRGFHQP-SJORKVTESA-N 2 0 335.467 2.398 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C/c3ccccc3)C2)C1 ZINC001480170865 1099748624 /nfs/dbraw/zinc/74/86/24/1099748624.db2.gz GSRNLJLNQZBPKF-KOOCPXEWSA-N 2 0 327.472 2.278 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001480189531 1099787700 /nfs/dbraw/zinc/78/77/00/1099787700.db2.gz OJOVOQRQUODXTJ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)C)on1 ZINC001444874514 1099885233 /nfs/dbraw/zinc/88/52/33/1099885233.db2.gz PNAUFTRTASMWCZ-SJORKVTESA-N 2 0 336.480 2.086 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001480303010 1100020688 /nfs/dbraw/zinc/02/06/88/1100020688.db2.gz BHMUBOFMYABYTJ-ZDUSSCGKSA-N 2 0 334.291 2.229 10 0 EEAERP COCCCC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001480405056 1100219259 /nfs/dbraw/zinc/21/92/59/1100219259.db2.gz STZQBKSUZCNQBZ-UHFFFAOYSA-N 2 0 337.508 2.058 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001480481364 1100290030 /nfs/dbraw/zinc/29/00/30/1100290030.db2.gz WYDGJRGGGYBHAY-WBVHZDCISA-N 2 0 333.476 2.164 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229276 1100787441 /nfs/dbraw/zinc/78/74/41/1100787441.db2.gz HEQMIHLYCQGCSI-MAUKXSAKSA-N 2 0 346.519 2.402 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001496246693 1100815776 /nfs/dbraw/zinc/81/57/76/1100815776.db2.gz APFKQVWIVQGXLD-GJZGRUSLSA-N 2 0 338.521 2.262 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496314552 1100907636 /nfs/dbraw/zinc/90/76/36/1100907636.db2.gz OUYMUFBBTAUUPV-ZWKOTPCHSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c1 ZINC001495233853 1100923946 /nfs/dbraw/zinc/92/39/46/1100923946.db2.gz NAFDHJYRZCKZFJ-AZUAARDMSA-N 2 0 329.488 2.464 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccnc1)C1CCCC1)[NH+](C)C ZINC001446495158 1100938571 /nfs/dbraw/zinc/93/85/71/1100938571.db2.gz FRAGYNLHOURQCU-ZWKOTPCHSA-N 2 0 332.492 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]Cc2ccccn2)C2CCCC2)C1 ZINC001446504485 1100953299 /nfs/dbraw/zinc/95/32/99/1100953299.db2.gz XUHMYVGMCNDDAZ-APWZRJJASA-N 2 0 344.503 2.188 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001446505987 1100956419 /nfs/dbraw/zinc/95/64/19/1100956419.db2.gz ZVPDKQCPWDUUPH-IXDOHACOSA-N 2 0 325.472 2.142 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CCCC1 ZINC001446512823 1100965455 /nfs/dbraw/zinc/96/54/55/1100965455.db2.gz UMVHMBDIMUVVIH-SFHVURJKSA-N 2 0 348.466 2.081 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001496372106 1100965882 /nfs/dbraw/zinc/96/58/82/1100965882.db2.gz VGQFSEBHXACZME-DOTOQJQBSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001446522885 1100978563 /nfs/dbraw/zinc/97/85/63/1100978563.db2.gz AWGLWGQBYROUIV-ICSRJNTNSA-N 2 0 344.503 2.345 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001446563523 1101046516 /nfs/dbraw/zinc/04/65/16/1101046516.db2.gz ORZBZFOEZQKRLK-GDBMZVCRSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)cs1 ZINC001496560048 1101161398 /nfs/dbraw/zinc/16/13/98/1101161398.db2.gz AUMLTHUJZVSAIZ-WQVCFCJDSA-N 2 0 338.521 2.022 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2(C)CC[NH+](CCF)CC2)C1 ZINC001446651706 1101170143 /nfs/dbraw/zinc/17/01/43/1101170143.db2.gz QKOOYIYCDVBLIY-GOSISDBHSA-N 2 0 345.478 2.387 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001496840981 1101577416 /nfs/dbraw/zinc/57/74/16/1101577416.db2.gz AGWIIOFSSGIKQS-IAGOWNOFSA-N 2 0 332.492 2.153 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC001446939789 1101626297 /nfs/dbraw/zinc/62/62/97/1101626297.db2.gz INTMRLCLJFPRCX-WMZOPIPTSA-N 2 0 347.503 2.221 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001495816753 1101636157 /nfs/dbraw/zinc/63/61/57/1101636157.db2.gz VHNYHBIHEYHEHH-GOEBONIOSA-N 2 0 338.521 2.105 10 0 EEAERP C[C@@H](F)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001447074920 1101930244 /nfs/dbraw/zinc/93/02/44/1101930244.db2.gz DQHCVCWTIZCDOZ-QAPCUYQASA-N 2 0 335.467 2.434 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CC3(CCC3)C1)CC2 ZINC001447116888 1102017161 /nfs/dbraw/zinc/01/71/61/1102017161.db2.gz QILLHYVQHLRPAB-UHFFFAOYSA-N 2 0 333.520 2.443 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497240426 1102179982 /nfs/dbraw/zinc/17/99/82/1102179982.db2.gz DQNVOSIPQBLAFH-NVXWUHKLSA-N 2 0 333.476 2.082 10 0 EEAERP CO[C@H](C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001497261753 1102213701 /nfs/dbraw/zinc/21/37/01/1102213701.db2.gz FWWUWLXSGDTGDH-CRAIPNDOSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1 ZINC001447270526 1102351495 /nfs/dbraw/zinc/35/14/95/1102351495.db2.gz REIQUVWMWYNHPL-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497384576 1102413402 /nfs/dbraw/zinc/41/34/02/1102413402.db2.gz YZRKJKVKPUKZEU-GOSISDBHSA-N 2 0 347.478 2.414 10 0 EEAERP CN(CCC[N@H+](C)CC1CCOCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001447348149 1102498010 /nfs/dbraw/zinc/49/80/10/1102498010.db2.gz BMQWTMFBVOMBDB-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001497486454 1102564311 /nfs/dbraw/zinc/56/43/11/1102564311.db2.gz MRJQEGXCCWQEJZ-RMKNXTFCSA-N 2 0 327.472 2.234 10 0 EEAERP CC1CCC(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001497585885 1102703850 /nfs/dbraw/zinc/70/38/50/1102703850.db2.gz NSZZPKYAXBYCJD-PEZXVPSRSA-N 2 0 333.520 2.417 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC001447534139 1102799733 /nfs/dbraw/zinc/79/97/33/1102799733.db2.gz BOZLSHZSBNVAFM-WBMJQRKESA-N 2 0 341.858 2.367 10 0 EEAERP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)CC[N@@H+](C)CC)CC2)o1 ZINC001447563991 1102869496 /nfs/dbraw/zinc/86/94/96/1102869496.db2.gz RHGBVONRCWSTBI-UHFFFAOYSA-N 2 0 336.480 2.050 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001497675033 1102881603 /nfs/dbraw/zinc/88/16/03/1102881603.db2.gz MWBJESHAAXAMCA-ABCZVMIZSA-N 2 0 333.451 2.491 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1C ZINC001497677806 1102886895 /nfs/dbraw/zinc/88/68/95/1102886895.db2.gz AVXZDSGCZKNZSU-APHBUQMISA-N 2 0 345.487 2.107 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001497815565 1103141797 /nfs/dbraw/zinc/14/17/97/1103141797.db2.gz AUHUPISBYDYBFO-VQIMIIECSA-N 2 0 347.503 2.205 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCOCC1 ZINC001497843742 1103181972 /nfs/dbraw/zinc/18/19/72/1103181972.db2.gz YERWVMPXUVYAKQ-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001447817855 1103381249 /nfs/dbraw/zinc/38/12/49/1103381249.db2.gz CKLTWBBTFGIHNX-NFOMZHRRSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001494047270 1103420957 /nfs/dbraw/zinc/42/09/57/1103420957.db2.gz HXQSJPOQGCLKLK-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)co1 ZINC001447963964 1103694333 /nfs/dbraw/zinc/69/43/33/1103694333.db2.gz JMVQPIKQIOIBTO-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](C/C=C/c2ccc(Cl)cc2)C1 ZINC001494625615 1104209935 /nfs/dbraw/zinc/20/99/35/1104209935.db2.gz MOPPVKBILLGOGT-ONEGZZNKSA-N 2 0 347.890 2.497 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001494909312 1104541869 /nfs/dbraw/zinc/54/18/69/1104541869.db2.gz FWFADPSLGDUQTE-FUHWJXTLSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1conc1C ZINC001495068708 1104707236 /nfs/dbraw/zinc/70/72/36/1104707236.db2.gz IRIQOWVZXUQUKW-DLBZAZTESA-N 2 0 336.480 2.230 10 0 EEAERP COCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001498042735 1106826331 /nfs/dbraw/zinc/82/63/31/1106826331.db2.gz WGEHDEVPFPEGQR-LPHOPBHVSA-N 2 0 347.503 2.300 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC001480658382 1106831427 /nfs/dbraw/zinc/83/14/27/1106831427.db2.gz DIFPAHOOSWMURQ-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001480793796 1107126723 /nfs/dbraw/zinc/12/67/23/1107126723.db2.gz MYSCCIGLSMFRGQ-GDBMZVCRSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001480809207 1107157443 /nfs/dbraw/zinc/15/74/43/1107157443.db2.gz UJOOBOXOJZLVNK-KXBFYZLASA-N 2 0 329.488 2.111 10 0 EEAERP Cc1cnc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001480829674 1107216971 /nfs/dbraw/zinc/21/69/71/1107216971.db2.gz CWNIEEWAWJHKEG-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C[NH+]1CCCC1 ZINC001498449203 1107552648 /nfs/dbraw/zinc/55/26/48/1107552648.db2.gz CSCGYJAJWCVLPB-INIZCTEOSA-N 2 0 329.488 2.208 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CCCC2)cc1C ZINC001493162667 1107621026 /nfs/dbraw/zinc/62/10/26/1107621026.db2.gz PTZIISYDGICZEJ-SFHVURJKSA-N 2 0 345.487 2.180 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC001493163658 1107623787 /nfs/dbraw/zinc/62/37/87/1107623787.db2.gz WCBAAXNYHRHSST-QGZVFWFLSA-N 2 0 335.517 2.357 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001498496207 1107634234 /nfs/dbraw/zinc/63/42/34/1107634234.db2.gz JEFNOIKFPJWDHS-ROUUACIJSA-N 2 0 339.524 2.019 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001498496202 1107634937 /nfs/dbraw/zinc/63/49/37/1107634937.db2.gz JEFNOIKFPJWDHS-MSOLQXFVSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001498776588 1108080610 /nfs/dbraw/zinc/08/06/10/1108080610.db2.gz ZGSFEYSYTSUBEA-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1ccc(F)cc1C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001493446242 1108170209 /nfs/dbraw/zinc/17/02/09/1108170209.db2.gz XTEQGUXXGKCZJA-UHFFFAOYSA-N 2 0 333.451 2.311 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001493574929 1108341359 /nfs/dbraw/zinc/34/13/59/1108341359.db2.gz OFUWOVCUJWWANT-IBGZPJMESA-N 2 0 344.503 2.345 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)CCC[NH+](C)C ZINC001493677495 1108494487 /nfs/dbraw/zinc/49/44/87/1108494487.db2.gz SBHGWTZREIWNED-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1Cl ZINC001493805979 1108686079 /nfs/dbraw/zinc/68/60/79/1108686079.db2.gz CQIJTPDSSMIZJD-UHFFFAOYSA-N 2 0 329.847 2.367 10 0 EEAERP CC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3ccncc3)c2C)C(C)(C)C1 ZINC001456230500 1109116998 /nfs/dbraw/zinc/11/69/98/1109116998.db2.gz NYZNUZVGJUHDNC-INIZCTEOSA-N 2 0 327.432 2.036 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001471570171 1110524881 /nfs/dbraw/zinc/52/48/81/1110524881.db2.gz XFCBURGTBQIPEQ-FGTMMUONSA-N 2 0 336.524 2.399 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001479223916 1110662175 /nfs/dbraw/zinc/66/21/75/1110662175.db2.gz FTVICJXIBZVICU-XPQDNOAISA-N 2 0 330.476 2.335 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001479461080 1110697932 /nfs/dbraw/zinc/69/79/32/1110697932.db2.gz RNJXGUWORWBHOS-BFHYXJOUSA-N 2 0 335.414 2.298 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC[C@@H]3CCCC3(F)F)CC2)C1 ZINC001499420458 1112278178 /nfs/dbraw/zinc/27/81/78/1112278178.db2.gz FIPJYVOQSQRBBY-GJZGRUSLSA-N 2 0 343.462 2.392 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC001499555115 1112362879 /nfs/dbraw/zinc/36/28/79/1112362879.db2.gz RVCQFSRSGOGRIZ-IYBDPMFKSA-N 2 0 335.517 2.308 10 0 EEAERP Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001500402731 1112805175 /nfs/dbraw/zinc/80/51/75/1112805175.db2.gz YVKGJBUEUULKGK-FQEVSTJZSA-N 2 0 329.488 2.419 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1)C1CCC1 ZINC001500572233 1112949281 /nfs/dbraw/zinc/94/92/81/1112949281.db2.gz JMIVYRGXGAYRFO-UHFFFAOYSA-N 2 0 349.519 2.226 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001501145697 1113214149 /nfs/dbraw/zinc/21/41/49/1113214149.db2.gz FUWJVYJJFOHALY-DKZLBQRBSA-N 2 0 336.307 2.331 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@H](C)[NH2+]CCCO)cc2)CC[N@@H+]1C ZINC001501676296 1113429179 /nfs/dbraw/zinc/42/91/79/1113429179.db2.gz JOGQEYOSEBBLLW-ZYSHUDEJSA-N 2 0 347.503 2.066 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001501964609 1113539770 /nfs/dbraw/zinc/53/97/70/1113539770.db2.gz ZFSFNDYEHSMQFB-KRWDZBQOSA-N 2 0 348.466 2.224 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cc(C4CC4)no3)CCC2)C1 ZINC001502017706 1113560783 /nfs/dbraw/zinc/56/07/83/1113560783.db2.gz RZZWJPLECGKRML-AWEZNQCLSA-N 2 0 346.475 2.022 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001502092829 1113584488 /nfs/dbraw/zinc/58/44/88/1113584488.db2.gz XFJLXHNCHMRKPM-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCc1cccs1 ZINC001505646494 1114106518 /nfs/dbraw/zinc/10/65/18/1114106518.db2.gz SBLWFNGDMNHPTR-LSDHHAIUSA-N 2 0 335.517 2.402 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1cncs1 ZINC001505756827 1114172158 /nfs/dbraw/zinc/17/21/58/1114172158.db2.gz IGIHVKPQCBUMFG-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1coc(C2CC2)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505848241 1114231507 /nfs/dbraw/zinc/23/15/07/1114231507.db2.gz NUZYHJGQERGBFO-HNNXBMFYSA-N 2 0 348.491 2.078 10 0 EEAERP COCC[NH2+][C@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001506384108 1114588431 /nfs/dbraw/zinc/58/84/31/1114588431.db2.gz VCTGUMZWARPJQM-GOSISDBHSA-N 2 0 346.475 2.365 10 0 EEAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001507123532 1115120264 /nfs/dbraw/zinc/12/02/64/1115120264.db2.gz PUHJRCKHESNZDW-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C1CC1 ZINC001507155387 1115137910 /nfs/dbraw/zinc/13/79/10/1115137910.db2.gz RYNMZRDULPTZQQ-CRAIPNDOSA-N 2 0 329.488 2.452 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001507298452 1115180432 /nfs/dbraw/zinc/18/04/32/1115180432.db2.gz PWGQVLZWVSTFER-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001507404657 1115253568 /nfs/dbraw/zinc/25/35/68/1115253568.db2.gz WEFAFKCNELRHMJ-DLBZAZTESA-N 2 0 349.519 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508034287 1115396287 /nfs/dbraw/zinc/39/62/87/1115396287.db2.gz WDCGJCGXTVMWTB-CVEARBPZSA-N 2 0 341.540 2.264 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001568193354 1124348434 /nfs/dbraw/zinc/34/84/34/1124348434.db2.gz BBZGWWWVMOAMRC-MSOLQXFVSA-N 2 0 331.504 2.221 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568645198 1124657158 /nfs/dbraw/zinc/65/71/58/1124657158.db2.gz CPANBLHSEGFQRA-DGCLKSJQSA-N 2 0 344.912 2.265 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)sc1C)[NH+](C)C ZINC001568645060 1124657436 /nfs/dbraw/zinc/65/74/36/1124657436.db2.gz AHJIGTILHDLEHX-IAQYHMDHSA-N 2 0 326.510 2.085 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001568939271 1124971783 /nfs/dbraw/zinc/97/17/83/1124971783.db2.gz LNSMIMNIANDPIQ-ARJAWSKDSA-N 2 0 329.488 2.489 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cc(Cl)ccc1F ZINC001568964113 1125000044 /nfs/dbraw/zinc/00/00/44/1125000044.db2.gz OUTZXZRHZSQINN-UPHRSURJSA-N 2 0 339.842 2.337 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001568971068 1125009639 /nfs/dbraw/zinc/00/96/39/1125009639.db2.gz DVBDJAOMZJCUKN-QGZUEGPWSA-N 2 0 336.505 2.026 10 0 EEAERP C[C@H](C[NH2+]CCCCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568991684 1125025722 /nfs/dbraw/zinc/02/57/22/1125025722.db2.gz HREXQWPGINRLMR-XLIONFOSSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568991770 1125026455 /nfs/dbraw/zinc/02/64/55/1125026455.db2.gz KIJPITAKMUPGHA-UKRRQHHQSA-N 2 0 338.883 2.202 10 0 EEAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569213722 1125169833 /nfs/dbraw/zinc/16/98/33/1125169833.db2.gz JXKDWQXJYWHSBI-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000251541310 282120201 /nfs/dbraw/zinc/12/02/01/282120201.db2.gz GHCLJXMWRAVRBP-JQHSSLGASA-N 2 0 330.476 2.025 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179472627 529794873 /nfs/dbraw/zinc/79/48/73/529794873.db2.gz GRIGEPONIUYRNQ-MOPGFXCFSA-N 2 0 342.487 2.169 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncnc2c(F)cccc21 ZINC000192326807 237306555 /nfs/dbraw/zinc/30/65/55/237306555.db2.gz BIJKBMLNUGOJMN-UHFFFAOYSA-N 2 0 333.455 2.479 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246339229 243233436 /nfs/dbraw/zinc/23/34/36/243233436.db2.gz BSKNZKDRFGXTRR-ROUUACIJSA-N 2 0 330.476 2.169 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000494762054 247021050 /nfs/dbraw/zinc/02/10/50/247021050.db2.gz GHIILMFIBGHSMJ-QHGAOEGBSA-N 2 0 331.504 2.350 10 0 EEAERP CSCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000011874542 211263137 /nfs/dbraw/zinc/26/31/37/211263137.db2.gz BFGNTSBRBJCAOR-QGZVFWFLSA-N 2 0 338.517 2.365 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000151904577 223882476 /nfs/dbraw/zinc/88/24/76/223882476.db2.gz JRBMIMRBPMCVJE-VDGAXYAQSA-N 2 0 332.488 2.447 10 0 EEAERP CC[NH+](CC)CCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115782250 220898453 /nfs/dbraw/zinc/89/84/53/220898453.db2.gz FZIKNXGZYHBUCL-UHFFFAOYSA-N 2 0 338.471 2.418 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)cc(C)n1 ZINC000349039969 285281796 /nfs/dbraw/zinc/28/17/96/285281796.db2.gz ZPIAZYOXEZICOS-SFHVURJKSA-N 2 0 334.508 2.247 10 0 EEAERP C(N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422901359 533368882 /nfs/dbraw/zinc/36/88/82/533368882.db2.gz BVFWRZDJRKUFKF-AQNXPRMDSA-N 2 0 335.536 2.388 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422866229 292106445 /nfs/dbraw/zinc/10/64/45/292106445.db2.gz QECHOXUPJNUVQU-PSBWJHGTSA-N 2 0 348.487 2.252 10 0 EEAERP O=C(C[NH2+]CC1CC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262986424 152351577 /nfs/dbraw/zinc/35/15/77/152351577.db2.gz UUQPGDCRTZKXHC-MRXNPFEDSA-N 2 0 333.501 2.218 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2)CC[N@@H+]1Cc1ccccc1 ZINC000263003122 152354908 /nfs/dbraw/zinc/35/49/08/152354908.db2.gz OYACLHAXFVSZMI-KBMXLJTQSA-N 2 0 337.414 2.153 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369506384 287269124 /nfs/dbraw/zinc/26/91/24/287269124.db2.gz GCEWWBQAFRVZEX-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000278362917 269225790 /nfs/dbraw/zinc/22/57/90/269225790.db2.gz JDWDJPVJLWSUJJ-UHFFFAOYSA-N 2 0 344.434 2.110 10 0 EEAERP COc1cccc2c1CC[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)C2 ZINC000415056757 274151971 /nfs/dbraw/zinc/15/19/71/274151971.db2.gz QPDGCNAWBOQTOT-JLAWEPINSA-N 2 0 343.515 2.359 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)C2)C1 ZINC000292075514 275372299 /nfs/dbraw/zinc/37/22/99/275372299.db2.gz FCZURGVIMMDXNF-XLIONFOSSA-N 2 0 327.472 2.176 10 0 EEAERP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc[nH+]c4ccccc43)CC[C@H]21 ZINC000072467855 277271088 /nfs/dbraw/zinc/27/10/88/277271088.db2.gz XRQQRHPFMQQBGJ-MAUKXSAKSA-N 2 0 338.455 2.272 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000131010232 277395918 /nfs/dbraw/zinc/39/59/18/277395918.db2.gz QRJYLXIXEDILSL-MSOLQXFVSA-N 2 0 334.508 2.010 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000342344175 288128170 /nfs/dbraw/zinc/12/81/70/288128170.db2.gz HHGVCDRWIZQMSQ-BPQIPLTHSA-N 2 0 334.508 2.129 10 0 EEAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246988656 288305685 /nfs/dbraw/zinc/30/56/85/288305685.db2.gz MLBOGDHEDYMWBD-UAFMIMERSA-N 2 0 334.552 2.104 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457917752 289187054 /nfs/dbraw/zinc/18/70/54/289187054.db2.gz UWEYCGHNDKLTIZ-RTBURBONSA-N 2 0 346.519 2.190 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175943556 289207221 /nfs/dbraw/zinc/20/72/21/289207221.db2.gz JBSFFVWYFGIALB-QYZOEREBSA-N 2 0 346.519 2.331 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@H]2CCC[C@H]21 ZINC000453240775 290214720 /nfs/dbraw/zinc/21/47/20/290214720.db2.gz SKMRWRXCLMYGHJ-GADNRMJZSA-N 2 0 328.522 2.052 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)C[NH+]1CCCCC1 ZINC000297439397 294244092 /nfs/dbraw/zinc/24/40/92/294244092.db2.gz RMSILSFGBYZUOJ-HNNXBMFYSA-N 2 0 329.448 2.256 10 0 EEAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422841913 295367997 /nfs/dbraw/zinc/36/79/97/295367997.db2.gz XFBDJBAURMHPGE-BHYGNILZSA-N 2 0 333.476 2.006 10 0 EEAERP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000414682147 313063060 /nfs/dbraw/zinc/06/30/60/313063060.db2.gz XVKQIBCVSWUAAN-WMZOPIPTSA-N 2 0 347.503 2.145 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000414735497 313072248 /nfs/dbraw/zinc/07/22/48/313072248.db2.gz MCUPPUUOLGFXPI-UHFFFAOYSA-N 2 0 345.491 2.031 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000414735953 313072483 /nfs/dbraw/zinc/07/24/83/313072483.db2.gz MFIKEKSHGXBLRR-JKSUJKDBSA-N 2 0 345.491 2.030 10 0 EEAERP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000416816424 313324264 /nfs/dbraw/zinc/32/42/64/313324264.db2.gz PBNSZFPYQOCJGU-RKVPGOIHSA-N 2 0 348.491 2.257 10 0 EEAERP CC1(C)CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000416869356 313342507 /nfs/dbraw/zinc/34/25/07/313342507.db2.gz GWSUQNRNVJMXNC-UHFFFAOYSA-N 2 0 330.476 2.176 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)CC(C)C ZINC000416954568 313371032 /nfs/dbraw/zinc/37/10/32/313371032.db2.gz LPISGBYXQBLWQD-KSZLIROESA-N 2 0 338.540 2.384 10 0 EEAERP CCCC[NH+]1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417399113 313503462 /nfs/dbraw/zinc/50/34/62/313503462.db2.gz WCFUNVCKBHZQLC-UHFFFAOYSA-N 2 0 346.519 2.464 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000417784391 313596694 /nfs/dbraw/zinc/59/66/94/313596694.db2.gz AOFVZGUOZKKFRF-DAWZGUTISA-N 2 0 333.476 2.213 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000420983728 314016012 /nfs/dbraw/zinc/01/60/12/314016012.db2.gz RKDAVDXPVWBRHO-HXUWFJFHSA-N 2 0 337.552 2.420 10 0 EEAERP CN(C)c1ncc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000425320188 314381517 /nfs/dbraw/zinc/38/15/17/314381517.db2.gz CEAJRRPUTHVEKP-QGZVFWFLSA-N 2 0 327.476 2.192 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000563593701 319027146 /nfs/dbraw/zinc/02/71/46/319027146.db2.gz NNWZPNLGRSICQG-FQEVSTJZSA-N 2 0 344.503 2.076 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000564323296 319078177 /nfs/dbraw/zinc/07/81/77/319078177.db2.gz HVVLOKXTTOHUTQ-QFBILLFUSA-N 2 0 325.460 2.492 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000564327457 319078782 /nfs/dbraw/zinc/07/87/82/319078782.db2.gz WEIBDJOKGYZJKJ-MRXNPFEDSA-N 2 0 339.443 2.020 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000565715199 319207530 /nfs/dbraw/zinc/20/75/30/319207530.db2.gz WRFCCTAEDNYYBM-GOSISDBHSA-N 2 0 330.476 2.129 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000566109290 319245972 /nfs/dbraw/zinc/24/59/72/319245972.db2.gz MBZAMLLUFKLNGV-UHFFFAOYSA-N 2 0 340.508 2.182 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000566672683 319310772 /nfs/dbraw/zinc/31/07/72/319310772.db2.gz BXJDCGRJDCXBRU-BPUTZDHNSA-N 2 0 329.423 2.116 10 0 EEAERP O=C(NC[C@H]1[NH2+]CCc2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000573701267 319959116 /nfs/dbraw/zinc/95/91/16/319959116.db2.gz JSZPEXLUCKKUQT-FAFZWHIHSA-N 2 0 342.487 2.190 10 0 EEAERP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@H](c1ccccc1)[NH+](C)C ZINC000574786974 320058028 /nfs/dbraw/zinc/05/80/28/320058028.db2.gz HHWXRAPPWWDFLR-ILZDJORESA-N 2 0 344.503 2.463 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccs1 ZINC000576372136 320166693 /nfs/dbraw/zinc/16/66/93/320166693.db2.gz GAMIHGAHULJHNF-WMLDXEAASA-N 2 0 336.505 2.136 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[C@H]1c1ccccc1 ZINC000580532893 324081608 /nfs/dbraw/zinc/08/16/08/324081608.db2.gz NOCPBMVJUQOOSD-NLWGTHIKSA-N 2 0 342.487 2.217 10 0 EEAERP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000581498237 324267180 /nfs/dbraw/zinc/26/71/80/324267180.db2.gz SQDRMXFXJANCIB-AWEZNQCLSA-N 2 0 346.475 2.166 10 0 EEAERP Cc1cccc2nc(CNC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000581744538 324314693 /nfs/dbraw/zinc/31/46/93/324314693.db2.gz ZISNYQZUHWDFPM-INIZCTEOSA-N 2 0 327.432 2.021 10 0 EEAERP CCOC(=O)C1CCC(O)(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000326047143 465034262 /nfs/dbraw/zinc/03/42/62/465034262.db2.gz BAVMXADFSHEFFS-BFYSWAEVSA-N 2 0 338.492 2.076 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410692 462790322 /nfs/dbraw/zinc/79/03/22/462790322.db2.gz JSPOACAZJMJLSD-RDJZCZTQSA-N 2 0 348.491 2.081 10 0 EEAERP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000048711587 462933764 /nfs/dbraw/zinc/93/37/64/462933764.db2.gz KOPSQLBXHWTWPK-ZDUSSCGKSA-N 2 0 340.427 2.379 10 0 EEAERP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000119863390 462935771 /nfs/dbraw/zinc/93/57/71/462935771.db2.gz DZZPCGJOKXUAIT-ZDUSSCGKSA-N 2 0 339.505 2.248 10 0 EEAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1OC ZINC000121122097 463083325 /nfs/dbraw/zinc/08/33/25/463083325.db2.gz GDNIXVJFWUFMDD-OAHLLOKOSA-N 2 0 336.476 2.228 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nc(-c2cccs2)no1 ZINC000069493161 463260307 /nfs/dbraw/zinc/26/03/07/463260307.db2.gz ONJZUQXJEGIFEZ-GFCCVEGCSA-N 2 0 336.461 2.153 10 0 EEAERP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000553166240 468353891 /nfs/dbraw/zinc/35/38/91/468353891.db2.gz CZSKPCFZJOSDEC-LPHOPBHVSA-N 2 0 345.487 2.290 10 0 EEAERP CCS[C@@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000112089061 463690134 /nfs/dbraw/zinc/69/01/34/463690134.db2.gz LQRAHNVRUANHBH-QGZVFWFLSA-N 2 0 339.549 2.337 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185599363 463847958 /nfs/dbraw/zinc/84/79/58/463847958.db2.gz FACFQGBYNRRFSA-HZPDHXFCSA-N 2 0 326.529 2.336 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)C2CC[NH+](C3CC3)CC2)ccc1F ZINC000194617583 463896246 /nfs/dbraw/zinc/89/62/46/463896246.db2.gz IZGKJNLGSIIUGW-UHFFFAOYSA-N 2 0 333.451 2.378 10 0 EEAERP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261929048 463902720 /nfs/dbraw/zinc/90/27/20/463902720.db2.gz CNDGJEMSVMAXFF-WBVHZDCISA-N 3 0 334.533 2.429 10 0 EEAERP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261959028 463910350 /nfs/dbraw/zinc/91/03/50/463910350.db2.gz PFYSGJHOMAUNQJ-VAMGGRTRSA-N 2 0 340.471 2.178 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185962004 463912807 /nfs/dbraw/zinc/91/28/07/463912807.db2.gz DATBNNREWSXUGA-LJQANCHMSA-N 2 0 346.519 2.144 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000261974312 463914803 /nfs/dbraw/zinc/91/48/03/463914803.db2.gz LSRXBJNQEGSATI-QZTJIDSGSA-N 2 0 329.488 2.484 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000262060611 463937939 /nfs/dbraw/zinc/93/79/39/463937939.db2.gz REIWXNORGPCBII-NRFANRHFSA-N 2 0 342.531 2.404 10 0 EEAERP C[N@@H+]1CC[C@@]2(CCN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)C1 ZINC000292262719 464178418 /nfs/dbraw/zinc/17/84/18/464178418.db2.gz YSNXJHVPFITQJR-LEWJYISDSA-N 2 0 343.515 2.305 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1C ZINC000173892911 464327069 /nfs/dbraw/zinc/32/70/69/464327069.db2.gz YUGLRFUUJIJGPM-KFWWJZLASA-N 2 0 338.521 2.475 10 0 EEAERP C[C@H](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175634176 464591200 /nfs/dbraw/zinc/59/12/00/464591200.db2.gz UWRYBMBDINOXEJ-AEFFLSMTSA-N 2 0 332.492 2.243 10 0 EEAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000175638797 464592330 /nfs/dbraw/zinc/59/23/30/464592330.db2.gz BETYFXGCLQLSEA-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H](C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)Cc1ccccc1 ZINC000274813986 464754932 /nfs/dbraw/zinc/75/49/32/464754932.db2.gz FERBVGPTMAZDRU-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000266875706 464855648 /nfs/dbraw/zinc/85/56/48/464855648.db2.gz SWIDQTRESVEUFF-HOCLYGCPSA-N 2 0 347.459 2.406 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000249612389 464899253 /nfs/dbraw/zinc/89/92/53/464899253.db2.gz QBQGGYKXCBRLNF-JKSUJKDBSA-N 2 0 334.464 2.200 10 0 EEAERP C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000348207617 465491034 /nfs/dbraw/zinc/49/10/34/465491034.db2.gz PVDROVRYODYCGU-VQIMIIECSA-N 2 0 343.471 2.449 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000579941520 468438284 /nfs/dbraw/zinc/43/82/84/468438284.db2.gz LTQGDOVXPLZMFW-QGZVFWFLSA-N 2 0 330.476 2.159 10 0 EEAERP Cc1nc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N(C)C)n1 ZINC000346223228 466005332 /nfs/dbraw/zinc/00/53/32/466005332.db2.gz QCWZGOSDTZSDEY-QGZVFWFLSA-N 2 0 342.491 2.815 10 0 EEAERP COCCOc1cc2c(cc1C[N@H+](C)CCCn1ccnc1)OCO2 ZINC000349342989 466073092 /nfs/dbraw/zinc/07/30/92/466073092.db2.gz FWSCWRNMXDVHPB-UHFFFAOYSA-N 2 0 347.415 2.159 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000349702635 466196926 /nfs/dbraw/zinc/19/69/26/466196926.db2.gz LBGDMWCYWBXFHZ-AYBZRNKSSA-N 2 0 336.524 2.375 10 0 EEAERP CCc1oc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000597248441 468495761 /nfs/dbraw/zinc/49/57/61/468495761.db2.gz VVEJVJHARXETQU-CQSZACIVSA-N 2 0 338.448 2.171 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000358181088 466519123 /nfs/dbraw/zinc/51/91/23/466519123.db2.gz CVZIXBMWKFPYGS-HKUYNNGSSA-N 2 0 346.519 2.297 10 0 EEAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341105984 466588045 /nfs/dbraw/zinc/58/80/45/466588045.db2.gz OSUYEIOXFRMXQE-ZWKOTPCHSA-N 2 0 334.508 2.297 10 0 EEAERP CC1=CCN(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423030628 466690062 /nfs/dbraw/zinc/69/00/62/466690062.db2.gz CBFZEWUUUMTIRS-AZUAARDMSA-N 2 0 327.472 2.484 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000369547525 466737877 /nfs/dbraw/zinc/73/78/77/466737877.db2.gz BOLOZTNOHOWQRP-JCYILVPMSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423442713 466751099 /nfs/dbraw/zinc/75/10/99/466751099.db2.gz VGVQKGKRJABIJR-RYUDHWBXSA-N 2 0 330.270 2.106 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417026585 466757403 /nfs/dbraw/zinc/75/74/03/466757403.db2.gz NMDPQHVOBPZVCG-FVGDGBDSSA-N 2 0 336.524 2.279 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417469832 466866003 /nfs/dbraw/zinc/86/60/03/466866003.db2.gz QWZOIWHWXJWGMS-CVEARBPZSA-N 2 0 332.492 2.453 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417809405 466941038 /nfs/dbraw/zinc/94/10/38/466941038.db2.gz MRTKDASVOKJKLE-CALCHBBNSA-N 2 0 334.508 2.319 10 0 EEAERP C[C@H](CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417816955 466944346 /nfs/dbraw/zinc/94/43/46/466944346.db2.gz QRPCMSBDKMEVJD-NUJGCVRESA-N 2 0 332.492 2.194 10 0 EEAERP CC(C)Cc1nsc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000376923556 466967482 /nfs/dbraw/zinc/96/74/82/466967482.db2.gz SKHPWZWJQSKIDJ-HNNXBMFYSA-N 2 0 337.537 2.341 10 0 EEAERP C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418018041 467024105 /nfs/dbraw/zinc/02/41/05/467024105.db2.gz ZLTKNUYLPMPESW-NZSAHSFTSA-N 2 0 344.503 2.338 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000377556090 467085891 /nfs/dbraw/zinc/08/58/91/467085891.db2.gz YDMPCWMHQPGFCU-OTWHNJEPSA-N 2 0 346.519 2.375 10 0 EEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418336542 467094574 /nfs/dbraw/zinc/09/45/74/467094574.db2.gz ALBAFPDYJLGQHD-QGZVFWFLSA-N 2 0 326.529 2.386 10 0 EEAERP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418344546 467095797 /nfs/dbraw/zinc/09/57/97/467095797.db2.gz SCPHHLRTNKHANN-ROUUACIJSA-N 2 0 336.524 2.284 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000418644337 467139949 /nfs/dbraw/zinc/13/99/49/467139949.db2.gz CASWACXJAPZJHG-RVKKMQEKSA-N 2 0 332.492 2.373 10 0 EEAERP CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418672319 467144652 /nfs/dbraw/zinc/14/46/52/467144652.db2.gz MLCVDNTWUSBUIH-ZWKOTPCHSA-N 2 0 330.476 2.345 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@]3(C)CCCO3)cn2)CC1 ZINC000428219250 467214573 /nfs/dbraw/zinc/21/45/73/467214573.db2.gz LSOGQWSTMNKMMM-LPHOPBHVSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000386250681 467390141 /nfs/dbraw/zinc/39/01/41/467390141.db2.gz DAJOJYQKRRXADV-KPACCLEDSA-N 2 0 343.515 2.254 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397559023 467441796 /nfs/dbraw/zinc/44/17/96/467441796.db2.gz PPYLICYWMGYPGL-MOPGFXCFSA-N 3 0 331.504 2.121 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414942470 467454390 /nfs/dbraw/zinc/45/43/90/467454390.db2.gz DNTFGFKZSJWKQT-IEBWSBKVSA-N 2 0 330.520 2.449 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)N1CC[NH+](C)CC1 ZINC000453105592 467460293 /nfs/dbraw/zinc/46/02/93/467460293.db2.gz XESBCPNESYMRPE-IRXDYDNUSA-N 2 0 341.503 2.374 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)[C@@H]2CCOC2)CC1 ZINC000449300342 467629256 /nfs/dbraw/zinc/62/92/56/467629256.db2.gz OGRQBMNZKBLMMK-MISYRCLQSA-N 2 0 346.515 2.317 10 0 EEAERP C[C@H]1Cc2cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2O1 ZINC000449879346 467734260 /nfs/dbraw/zinc/73/42/60/467734260.db2.gz GSFOQYZSLPUPTI-INIZCTEOSA-N 2 0 347.503 2.356 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)[NH+]2CCCC2)CC1 ZINC000531226047 468037686 /nfs/dbraw/zinc/03/76/86/468037686.db2.gz PTLQBPQJADIHSF-INIZCTEOSA-N 2 0 330.476 2.207 10 0 EEAERP C[C@@]1(CNC(=O)N2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000561202149 468875667 /nfs/dbraw/zinc/87/56/67/468875667.db2.gz YEYFFZBIBDVTPA-MJGOQNOKSA-N 2 0 330.476 2.174 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)oc1C ZINC000593322087 468938582 /nfs/dbraw/zinc/93/85/82/468938582.db2.gz KFPMADJNDWKKDG-XKQJLSEDSA-N 2 0 336.432 2.235 10 0 EEAERP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CC[NH2+]C ZINC000573327521 469108070 /nfs/dbraw/zinc/10/80/70/469108070.db2.gz OKQFCYSMBVDDTF-QAPCUYQASA-N 2 0 332.492 2.058 10 0 EEAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625940645 469442102 /nfs/dbraw/zinc/44/21/02/469442102.db2.gz OAZIJWGWKFIOJO-CQSZACIVSA-N 2 0 334.464 2.411 10 0 EEAERP C[N@@H+]1CC[C@H](NCc2cccc(C(=O)N3CCOCC3)c2)CC1(C)C ZINC000623376981 469638037 /nfs/dbraw/zinc/63/80/37/469638037.db2.gz JLGFDJBSZXNDPR-SFHVURJKSA-N 2 0 345.487 2.121 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(=O)NCC[NH+](C)C ZINC000623475516 469669122 /nfs/dbraw/zinc/66/91/22/469669122.db2.gz PVONLIWRFKBLSG-SFHVURJKSA-N 2 0 330.476 2.350 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000623522917 469684072 /nfs/dbraw/zinc/68/40/72/469684072.db2.gz AUQCEELPCIMBKJ-CQSZACIVSA-N 2 0 329.444 2.135 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)CC1 ZINC000627004312 469786029 /nfs/dbraw/zinc/78/60/29/469786029.db2.gz JANFSFVSECDUQO-RZZCCWGQSA-N 2 0 336.524 2.469 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000624074399 469833269 /nfs/dbraw/zinc/83/32/69/469833269.db2.gz BFIARRRWXFVMBZ-RYQLBKOJSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627202077 469842653 /nfs/dbraw/zinc/84/26/53/469842653.db2.gz NEYWSNOUVQHMDQ-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C[NH2+]1 ZINC000627206575 469844654 /nfs/dbraw/zinc/84/46/54/469844654.db2.gz HKHAJTXDLXZNPH-DAXOMENPSA-N 2 0 338.883 2.382 10 0 EEAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631839326 470186845 /nfs/dbraw/zinc/18/68/45/470186845.db2.gz DQCHIURPKDZOBC-VXGBXAGGSA-N 2 0 340.265 2.304 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638852656 470305241 /nfs/dbraw/zinc/30/52/41/470305241.db2.gz LZGBVHVKCYVGRR-NZSAHSFTSA-N 2 0 329.488 2.260 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000633333264 470428643 /nfs/dbraw/zinc/42/86/43/470428643.db2.gz WWAVBULXMDLRHL-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP CCC[C@H]1CN(C(=O)NC/C=C/C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641866425 470504266 /nfs/dbraw/zinc/50/42/66/470504266.db2.gz BLIZONARAMQKHS-DKFQHHCZSA-N 2 0 330.476 2.197 10 0 EEAERP Cc1cc(NC(=O)[C@@H]2CCC[NH+]2C)cc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000633910444 470631194 /nfs/dbraw/zinc/63/11/94/470631194.db2.gz CPCQKBODXAKVHB-IRXDYDNUSA-N 2 0 344.459 2.060 10 0 EEAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(C(C)(C)C)cn3)C2)CC1 ZINC000643335651 470668148 /nfs/dbraw/zinc/66/81/48/470668148.db2.gz YDHOIYVUMKMLNZ-INIZCTEOSA-N 2 0 344.503 2.277 10 0 EEAERP C[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647326155 470882788 /nfs/dbraw/zinc/88/27/88/470882788.db2.gz YQRYQGXGIMOYIX-OAHLLOKOSA-N 2 0 331.464 2.039 10 0 EEAERP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc2c1OCO2 ZINC000650722672 470951103 /nfs/dbraw/zinc/95/11/03/470951103.db2.gz ZCWAKCLDQLOSQB-BZUAXINKSA-N 2 0 348.443 2.285 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000650847999 470984106 /nfs/dbraw/zinc/98/41/06/470984106.db2.gz NNYSPZSVSKOVDL-QGZVFWFLSA-N 2 0 326.529 2.384 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000644826820 471057795 /nfs/dbraw/zinc/05/77/95/471057795.db2.gz JJSCTKKPCXDRRJ-PKOBYXMFSA-N 2 0 342.487 2.159 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)CO1 ZINC000657314070 471094237 /nfs/dbraw/zinc/09/42/37/471094237.db2.gz ZVHGUBUMBCKMMX-WOJBJXKFSA-N 2 0 331.504 2.481 10 0 EEAERP c1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657318260 471097038 /nfs/dbraw/zinc/09/70/38/471097038.db2.gz HQTSBAZYOXWYTN-UHFFFAOYSA-N 2 0 348.454 2.417 10 0 EEAERP c1cc(C[NH2+]CCN2CCc3sccc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657324552 471099254 /nfs/dbraw/zinc/09/92/54/471099254.db2.gz CTCKBOJRXZUBGM-UHFFFAOYSA-N 2 0 339.468 2.477 10 0 EEAERP Cn1ncc(C2CC2)c1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000657376975 471118725 /nfs/dbraw/zinc/11/87/25/471118725.db2.gz LYPOLLWKBGLPTI-UHFFFAOYSA-N 2 0 345.535 2.337 10 0 EEAERP CCc1nccn1[C@@H](C)CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648199181 471120607 /nfs/dbraw/zinc/12/06/07/471120607.db2.gz BFIQKZUAUDYZAE-WMLDXEAASA-N 2 0 326.444 2.481 10 0 EEAERP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000654705536 471137856 /nfs/dbraw/zinc/13/78/56/471137856.db2.gz KXJIAEHNRCZKIL-CQSZACIVSA-N 2 0 348.482 2.335 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)C2(CO)CC2)CC1 ZINC000657602017 471182625 /nfs/dbraw/zinc/18/26/25/471182625.db2.gz DVCHXQQWIXLNQH-QGZVFWFLSA-N 2 0 331.504 2.469 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000654858146 471205629 /nfs/dbraw/zinc/20/56/29/471205629.db2.gz CVPFDQJCNQBRNU-AOIWGVFYSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000657706784 471213512 /nfs/dbraw/zinc/21/35/12/471213512.db2.gz QZSNMHGRYFAFPS-ZWKOTPCHSA-N 2 0 349.906 2.485 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000652135661 471242545 /nfs/dbraw/zinc/24/25/45/471242545.db2.gz XYINPZMMEIFUSO-INIZCTEOSA-N 2 0 332.492 2.327 10 0 EEAERP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652143880 471244198 /nfs/dbraw/zinc/24/41/98/471244198.db2.gz NGNQGLIFQFNWBH-UHFFFAOYSA-N 2 0 332.492 2.470 10 0 EEAERP C[C@H](CCNC(=O)NCCC1(C[NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000652162046 471248310 /nfs/dbraw/zinc/24/83/10/471248310.db2.gz DEBDBCXHPDWVLA-MRXNPFEDSA-N 2 0 332.492 2.325 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652164254 471248397 /nfs/dbraw/zinc/24/83/97/471248397.db2.gz ILMIKMCFNSCURE-FUHWJXTLSA-N 2 0 344.503 2.325 10 0 EEAERP CCOC1CCC([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000657953625 471251866 /nfs/dbraw/zinc/25/18/66/471251866.db2.gz DEYUYECAEFLRMU-JCYILVPMSA-N 2 0 327.513 2.016 10 0 EEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC/C=C/C[NH3+] ZINC000652219753 471257837 /nfs/dbraw/zinc/25/78/37/471257837.db2.gz KWLXZZXIYPBGFO-XIGBMUJHSA-N 2 0 330.476 2.194 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658106309 471266386 /nfs/dbraw/zinc/26/63/86/471266386.db2.gz BDWNGUVNCYILKH-JKSUJKDBSA-N 2 0 346.519 2.494 10 0 EEAERP Cc1noc(C2CCC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC2)n1 ZINC000658105464 471266545 /nfs/dbraw/zinc/26/65/45/471266545.db2.gz AGQKQBGWJWOZFI-OOHWJJMZSA-N 2 0 337.512 2.266 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341887 471290452 /nfs/dbraw/zinc/29/04/52/471290452.db2.gz KHVIXTCWJORMJP-WIYYLYMNSA-N 2 0 344.547 2.123 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@]3(O)CCCOC3)C2)s1 ZINC000660495667 471365692 /nfs/dbraw/zinc/36/56/92/471365692.db2.gz ANPTVCUDJJSKIR-SJLPKXTDSA-N 2 0 338.517 2.352 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)Cc1ccccc1 ZINC000663445485 471380870 /nfs/dbraw/zinc/38/08/70/471380870.db2.gz PJXQNFFPWVEACB-MSOLQXFVSA-N 2 0 346.519 2.331 10 0 EEAERP C[N@@H+]1C[C@@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](c2ccccc2)C1 ZINC000655779328 471479162 /nfs/dbraw/zinc/47/91/62/471479162.db2.gz IWGONWTZWTZGPM-NRSPTQNISA-N 2 0 343.515 2.175 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000669427466 471494529 /nfs/dbraw/zinc/49/45/29/471494529.db2.gz JDCSAJUALCCOJS-ARJAWSKDSA-N 2 0 330.476 2.377 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653124419 471500240 /nfs/dbraw/zinc/50/02/40/471500240.db2.gz YIXOXRKGJILCNA-MRXNPFEDSA-N 2 0 330.476 2.157 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663750898 471501736 /nfs/dbraw/zinc/50/17/36/471501736.db2.gz NMDZBBNTJDONOJ-IAGOWNOFSA-N 2 0 336.455 2.164 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925245 471553998 /nfs/dbraw/zinc/55/39/98/471553998.db2.gz AIFXQDNRVKXMHR-CYBMUJFWSA-N 2 0 330.375 2.141 10 0 EEAERP CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000655969273 471560533 /nfs/dbraw/zinc/56/05/33/471560533.db2.gz QKSSIOQXNUFUIK-UHFFFAOYSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659383004 471599945 /nfs/dbraw/zinc/59/99/45/471599945.db2.gz SIHYKKDDZVEYDN-BQFCYCMXSA-N 2 0 329.488 2.388 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659431399 471622841 /nfs/dbraw/zinc/62/28/41/471622841.db2.gz KUQVUJQOKUJTNV-QZTJIDSGSA-N 2 0 348.466 2.040 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659434233 471625871 /nfs/dbraw/zinc/62/58/71/471625871.db2.gz UKMXIIWMIRRAIO-UHFFFAOYSA-N 2 0 330.476 2.080 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000659493155 471654767 /nfs/dbraw/zinc/65/47/67/471654767.db2.gz QWFGEMSWACMZDD-KBAYOESNSA-N 2 0 332.492 2.322 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000659620931 471701622 /nfs/dbraw/zinc/70/16/22/471701622.db2.gz STKWRPMLAYJXQJ-RBUKOAKNSA-N 2 0 346.519 2.318 10 0 EEAERP c1csc(N2CCCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)n1 ZINC000667555568 471820107 /nfs/dbraw/zinc/82/01/07/471820107.db2.gz FNGXLLKRNOWQRV-UHFFFAOYSA-N 2 0 340.456 2.436 10 0 EEAERP CCN(C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000664672875 471830465 /nfs/dbraw/zinc/83/04/65/471830465.db2.gz FCLSNGADXRBGRR-YTQUADARSA-N 2 0 344.503 2.243 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000665259845 471983794 /nfs/dbraw/zinc/98/37/94/471983794.db2.gz SGAOPPJKILRKTA-VXNCWWDNSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@H](NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665273069 471986351 /nfs/dbraw/zinc/98/63/51/471986351.db2.gz PQYPGUICCUPZOB-HKUYNNGSSA-N 2 0 328.504 2.071 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000665285612 471989959 /nfs/dbraw/zinc/98/99/59/471989959.db2.gz RMEQOXKVXIDSMO-OAHLLOKOSA-N 2 0 335.496 2.105 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000665285185 471990097 /nfs/dbraw/zinc/99/00/97/471990097.db2.gz GDFQIZVGJFUBFH-HNNXBMFYSA-N 2 0 345.487 2.358 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000665289075 471991057 /nfs/dbraw/zinc/99/10/57/471991057.db2.gz FSTDADLUKJFFKD-ZDUSSCGKSA-N 2 0 338.883 2.376 10 0 EEAERP COCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC000662340331 472077563 /nfs/dbraw/zinc/07/75/63/472077563.db2.gz UTYBIZANZQFYBS-SFHVURJKSA-N 2 0 347.503 2.344 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000668330678 472088279 /nfs/dbraw/zinc/08/82/79/472088279.db2.gz XERJMZVVNIMCQB-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662771411 472245458 /nfs/dbraw/zinc/24/54/58/472245458.db2.gz HAOCRRTVANBYTD-QRVBRYPASA-N 2 0 329.488 2.185 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000662866368 472283059 /nfs/dbraw/zinc/28/30/59/472283059.db2.gz AUUPZXDHFGJWJT-KANFNMMFSA-N 2 0 345.487 2.165 10 0 EEAERP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000644667076 485498273 /nfs/dbraw/zinc/49/82/73/485498273.db2.gz LUMCGNKQYVFRQP-SFHVURJKSA-N 2 0 325.412 2.481 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000673428905 486321266 /nfs/dbraw/zinc/32/12/66/486321266.db2.gz JPUQTKGOIHQCBF-FQEVSTJZSA-N 2 0 347.503 2.057 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170828703 534812279 /nfs/dbraw/zinc/81/22/79/534812279.db2.gz QDENWNQTOFTCAJ-IBGZPJMESA-N 2 0 344.503 2.305 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000416343345 528230879 /nfs/dbraw/zinc/23/08/79/528230879.db2.gz RLNCKOMCPUWDKQ-INIZCTEOSA-N 2 0 349.475 2.449 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000415954683 528356147 /nfs/dbraw/zinc/35/61/47/528356147.db2.gz MJTRSHIVYWEDNH-QGZVFWFLSA-N 2 0 336.505 2.355 10 0 EEAERP CC(C)[NH+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000265241929 535185717 /nfs/dbraw/zinc/18/57/17/535185717.db2.gz PGGTWYWDBCQKPM-UHFFFAOYSA-N 2 0 336.455 2.123 10 0 EEAERP C(CN1CCOCC1)N1CC[C@@H]([NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000925078482 683040206 /nfs/dbraw/zinc/04/02/06/683040206.db2.gz GYJUOTWAPXWQFM-UXHICEINSA-N 2 0 335.536 2.341 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000914329126 683499851 /nfs/dbraw/zinc/49/98/51/683499851.db2.gz MNLGKRKKPYTCMK-BURFUSLBSA-N 2 0 330.476 2.214 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCNC1=O ZINC000179395594 694079056 /nfs/dbraw/zinc/07/90/56/694079056.db2.gz OKUJDLYMLPDHQM-SFHVURJKSA-N 2 0 330.476 2.289 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001485521724 1191824949 /nfs/dbraw/zinc/82/49/49/1191824949.db2.gz HOZWTFPPFCZSCE-INIZCTEOSA-N 2 0 346.519 2.402 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C1 ZINC001485658540 1191878760 /nfs/dbraw/zinc/87/87/60/1191878760.db2.gz SYVGGCYUHKIKKB-YQVWRLOYSA-N 2 0 347.478 2.494 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C1 ZINC001485658541 1191878902 /nfs/dbraw/zinc/87/89/02/1191878902.db2.gz SYVGGCYUHKIKKB-ZHALLVOQSA-N 2 0 347.478 2.494 10 0 EEAERP Cc1cnc(CNCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001485721968 1191909606 /nfs/dbraw/zinc/90/96/06/1191909606.db2.gz ATICZYNSJDBCFK-ZBFHGGJFSA-N 2 0 336.480 2.230 10 0 EEAERP Cc1ncsc1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739732 1191916969 /nfs/dbraw/zinc/91/69/69/1191916969.db2.gz ZDZZNZPQSXRAOJ-KBPBESRZSA-N 2 0 338.521 2.168 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691960569 1176067352 /nfs/dbraw/zinc/06/73/52/1176067352.db2.gz AZGTWJFPIDDNST-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1cccc(Cl)c1 ZINC001480866032 1176141547 /nfs/dbraw/zinc/14/15/47/1176141547.db2.gz UKKVQXOHKNNKOK-KRWDZBQOSA-N 2 0 335.879 2.230 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(Cl)nc1 ZINC001691048406 1177311931 /nfs/dbraw/zinc/31/19/31/1177311931.db2.gz XHDLHYLTSOVNMU-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266755409 1177358462 /nfs/dbraw/zinc/35/84/62/1177358462.db2.gz OYDIVIDOHVBRCF-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001266767695 1177383994 /nfs/dbraw/zinc/38/39/94/1177383994.db2.gz QGCGNSOYFDZRCN-SFHVURJKSA-N 2 0 332.492 2.142 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)[C@@]12CC[N@H+](C1)CCC2 ZINC001266886986 1177716119 /nfs/dbraw/zinc/71/61/19/1177716119.db2.gz WJIJMAAXDDYUFC-GVSOGPONSA-N 2 0 325.884 2.196 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)C12CC[NH+](CC1)C2 ZINC001266988345 1178044735 /nfs/dbraw/zinc/04/47/35/1178044735.db2.gz IWOGDQMRCMKWKH-SFHVURJKSA-N 2 0 341.499 2.250 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001267043887 1178140203 /nfs/dbraw/zinc/14/02/03/1178140203.db2.gz FBZBRAIJOYJAOW-WBVHZDCISA-N 2 0 325.472 2.191 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001267068147 1178183485 /nfs/dbraw/zinc/18/34/85/1178183485.db2.gz DEBQRHXCNGTDGI-ZWKOTPCHSA-N 2 0 347.478 2.148 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCc3ccc(Cl)cc3)C2)C1 ZINC001267068957 1178184677 /nfs/dbraw/zinc/18/46/77/1178184677.db2.gz MCVIKZHQUASDNI-IAGOWNOFSA-N 2 0 349.906 2.272 10 0 EEAERP Cc1nc(CN(CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)C)co1 ZINC001267318911 1178750280 /nfs/dbraw/zinc/75/02/80/1178750280.db2.gz HFQIZVGKVGOUKQ-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001267384058 1178942878 /nfs/dbraw/zinc/94/28/78/1178942878.db2.gz KGVLQJYXBQNEBB-GFCCVEGCSA-N 2 0 336.307 2.103 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@H]1CCCC1(F)F ZINC001481016127 1179501402 /nfs/dbraw/zinc/50/14/02/1179501402.db2.gz BNTQSZICWGXIRJ-OAHLLOKOSA-N 2 0 331.451 2.346 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC001481072623 1179676880 /nfs/dbraw/zinc/67/68/80/1179676880.db2.gz VMXBULDKOYBTOA-GOSISDBHSA-N 2 0 345.487 2.132 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001481124748 1179831939 /nfs/dbraw/zinc/83/19/39/1179831939.db2.gz UEYOXHLUHFKIGK-KGLIPLIRSA-N 2 0 348.318 2.104 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[N@H+](C1CC1)[C@H]1CCc2c1cccc2F ZINC001481197360 1180071854 /nfs/dbraw/zinc/07/18/54/1180071854.db2.gz ZYDBPDVPKGYPAL-IBGZPJMESA-N 2 0 345.462 2.489 10 0 EEAERP CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242801 1180419294 /nfs/dbraw/zinc/41/92/94/1180419294.db2.gz WCZWYOTZUVUJBX-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267772554 1180484022 /nfs/dbraw/zinc/48/40/22/1180484022.db2.gz DKAVDKRFYJDBLZ-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001267873177 1180664163 /nfs/dbraw/zinc/66/41/63/1180664163.db2.gz HKUZZYNWEHMXIU-CRAIPNDOSA-N 2 0 327.488 2.343 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267885843 1180686655 /nfs/dbraw/zinc/68/66/55/1180686655.db2.gz BJBQJMNWJFDWDV-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001267917430 1180760801 /nfs/dbraw/zinc/76/08/01/1180760801.db2.gz GEGVEYUYLJXXHB-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001267938439 1180793583 /nfs/dbraw/zinc/79/35/83/1180793583.db2.gz WNUPIVVGZPAFHS-HNAYVOBHSA-N 2 0 347.478 2.482 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C[C@H]1CCCCO1 ZINC001481350729 1181094525 /nfs/dbraw/zinc/09/45/25/1181094525.db2.gz QDIWPDHVYBNSPB-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CCNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001481435157 1181332883 /nfs/dbraw/zinc/33/28/83/1181332883.db2.gz KOLJGBGRIMUYHX-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001481490199 1181553752 /nfs/dbraw/zinc/55/37/52/1181553752.db2.gz DAMMAQCPRKHHRZ-SJORKVTESA-N 2 0 330.476 2.026 10 0 EEAERP Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)cs1 ZINC001268067452 1181662118 /nfs/dbraw/zinc/66/21/18/1181662118.db2.gz DQZQMWZGDZAHLI-CJNGLKHVSA-N 2 0 340.537 2.017 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001268084591 1181701986 /nfs/dbraw/zinc/70/19/86/1181701986.db2.gz GQABCCSPFTXHRC-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccn1 ZINC001268377715 1182395650 /nfs/dbraw/zinc/39/56/50/1182395650.db2.gz MOLQRZYWSCWOKD-SJLPKXTDSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268376724 1182396679 /nfs/dbraw/zinc/39/66/79/1182396679.db2.gz ZRLKPQNZAKGLQF-QGZVFWFLSA-N 2 0 347.503 2.029 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732591 1182413888 /nfs/dbraw/zinc/41/38/88/1182413888.db2.gz RIXBWXGQAFQYBC-NVXWUHKLSA-N 2 0 339.524 2.207 10 0 EEAERP CCCc1nc(CN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cs1 ZINC001481740867 1182468134 /nfs/dbraw/zinc/46/81/34/1182468134.db2.gz TWWQPYZQUFAOOW-OAHLLOKOSA-N 2 0 338.521 2.080 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001268403627 1182508666 /nfs/dbraw/zinc/50/86/66/1182508666.db2.gz JUQHKYVWUHAERJ-WFASDCNBSA-N 2 0 327.419 2.289 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001268425681 1182593561 /nfs/dbraw/zinc/59/35/61/1182593561.db2.gz GWLAYKNHJOIEGU-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268440122 1182615907 /nfs/dbraw/zinc/61/59/07/1182615907.db2.gz WSXVZRMRCLZPLX-LJQANCHMSA-N 2 0 329.488 2.208 10 0 EEAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCn2ccnc2C1 ZINC001268460020 1182741109 /nfs/dbraw/zinc/74/11/09/1182741109.db2.gz NELOPQCJNUTLOR-KRWDZBQOSA-N 2 0 332.492 2.464 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCc1ccccc1 ZINC001481847925 1182793235 /nfs/dbraw/zinc/79/32/35/1182793235.db2.gz JKIQHQPMXVWDAZ-IBGZPJMESA-N 2 0 331.504 2.445 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268470658 1182840247 /nfs/dbraw/zinc/84/02/47/1182840247.db2.gz YLOCXZLCLQYKRJ-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001481876623 1182852762 /nfs/dbraw/zinc/85/27/62/1182852762.db2.gz WJHRTNXACJQEOF-KBPBESRZSA-N 2 0 341.858 2.415 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC3CC(F)(F)C3)CCCC2)C1 ZINC001481909981 1182930821 /nfs/dbraw/zinc/93/08/21/1182930821.db2.gz FDWBSYTYGYFWFH-CQSZACIVSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C2CC2)o1 ZINC001481929602 1182974983 /nfs/dbraw/zinc/97/49/83/1182974983.db2.gz BSTLLZXBNBUBLN-VQIMIIECSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481982165 1183078280 /nfs/dbraw/zinc/07/82/80/1183078280.db2.gz HKKYRYUWUOQROY-MRXNPFEDSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001481983887 1183084296 /nfs/dbraw/zinc/08/42/96/1183084296.db2.gz WKGVDIBGOKHHPM-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1F ZINC001268626196 1183544626 /nfs/dbraw/zinc/54/46/26/1183544626.db2.gz ZCDKFNBUTNXCNK-OWOJBTEDSA-N 2 0 339.842 2.337 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001268626616 1183545063 /nfs/dbraw/zinc/54/50/63/1183545063.db2.gz QGOHPXFCBUDMCO-SOOSWQLISA-N 2 0 341.499 2.005 10 0 EEAERP C[C@@H](C[NH2+]CCCCc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC001268701235 1183622136 /nfs/dbraw/zinc/62/21/36/1183622136.db2.gz ZNOWMGVPQWVOBV-KRWDZBQOSA-N 2 0 331.504 2.445 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCCCC(F)(F)F)C2)CCC1 ZINC001269033938 1183908387 /nfs/dbraw/zinc/90/83/87/1183908387.db2.gz NKMWWSORAFGPQK-ZDUSSCGKSA-N 2 0 335.414 2.394 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCOC ZINC001269189330 1184041350 /nfs/dbraw/zinc/04/13/50/1184041350.db2.gz SNANMGSTUYRBIT-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@](C)(C[NH2+]C/C=C\Cl)C2CC2)CC1 ZINC001269644640 1184468789 /nfs/dbraw/zinc/46/87/89/1184468789.db2.gz HBVOLQWAWNYEHV-VCKUIECUSA-N 2 0 327.900 2.345 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001269743152 1184582210 /nfs/dbraw/zinc/58/22/10/1184582210.db2.gz YWWLRIJPJMAYMU-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CCc2cccs2)C1 ZINC001270830914 1185439897 /nfs/dbraw/zinc/43/98/97/1185439897.db2.gz UTQOWBIQWWMYIL-SFHVURJKSA-N 2 0 337.533 2.461 10 0 EEAERP CC(C)OCC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001270863492 1185526512 /nfs/dbraw/zinc/52/65/12/1185526512.db2.gz HVLIBTOIUUNMEB-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001482553085 1186698515 /nfs/dbraw/zinc/69/85/15/1186698515.db2.gz KCDDWUSLRWRPSK-OLZOCXBDSA-N 2 0 336.307 2.378 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001482597297 1187298657 /nfs/dbraw/zinc/29/86/57/1187298657.db2.gz WJOGIAMSUJGGET-LSDHHAIUSA-N 2 0 331.451 2.152 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCCCCF)CC2)C1 ZINC001272778524 1193493359 /nfs/dbraw/zinc/49/33/59/1193493359.db2.gz UCCKJONAOZHMOV-ULQDDVLXSA-N 2 0 327.488 2.343 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482696309 1187666171 /nfs/dbraw/zinc/66/61/71/1187666171.db2.gz VHVHFKONQDHODC-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001482867041 1187787104 /nfs/dbraw/zinc/78/71/04/1187787104.db2.gz FJOMSYKZOGCZSK-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)oc1C ZINC001482885045 1187800402 /nfs/dbraw/zinc/80/04/02/1187800402.db2.gz LPTHOLMDCBFKSZ-CQSZACIVSA-N 2 0 336.480 2.008 10 0 EEAERP CCN(CCNCc1ncc(C)s1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482923843 1187843947 /nfs/dbraw/zinc/84/39/47/1187843947.db2.gz HERGKZHCSPWWMO-OAHLLOKOSA-N 2 0 338.521 2.262 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001482930309 1187851218 /nfs/dbraw/zinc/85/12/18/1187851218.db2.gz GSSYFFFFFXUXLY-IRXDYDNUSA-N 2 0 348.491 2.246 10 0 EEAERP CCN(CC[NH2+]CCC[C@H]1CCOC1)C(=O)c1cccc2nccn21 ZINC001482938636 1187859838 /nfs/dbraw/zinc/85/98/38/1187859838.db2.gz GQKSYCQCTHMHDM-INIZCTEOSA-N 2 0 344.459 2.203 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001483024810 1188014586 /nfs/dbraw/zinc/01/45/86/1188014586.db2.gz RZZCQCZYXIEPJD-PIGHNIFASA-N 2 0 348.516 2.230 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21 ZINC001483026307 1188031992 /nfs/dbraw/zinc/03/19/92/1188031992.db2.gz ILMUVDNAIWKPSR-OBNUAKFSSA-N 2 0 327.472 2.420 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CNCc2c(F)cccc2F)C1 ZINC001483082927 1188444048 /nfs/dbraw/zinc/44/40/48/1188444048.db2.gz ZKORMXARIFDRHG-PYLYLYNFSA-N 2 0 337.414 2.069 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001272228189 1188457539 /nfs/dbraw/zinc/45/75/39/1188457539.db2.gz YUZARSLWRUHRMX-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001485875272 1193626838 /nfs/dbraw/zinc/62/68/38/1193626838.db2.gz KKPJSZZBROXJQJ-PXNSSMCTSA-N 2 0 343.515 2.316 10 0 EEAERP C[C@H](F)CC[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001409458816 1189707006 /nfs/dbraw/zinc/70/70/06/1189707006.db2.gz WKCZBSWGVAKRDE-FHERZECASA-N 2 0 325.472 2.190 10 0 EEAERP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=S)NCC[NH+](C)C ZINC000905529771 1189772431 /nfs/dbraw/zinc/77/24/31/1189772431.db2.gz QOGCQKSJBXOZFS-SFHVURJKSA-N 2 0 348.560 2.409 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001485954912 1193648010 /nfs/dbraw/zinc/64/80/10/1193648010.db2.gz AUCMCTKLGFEIDS-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCc1ccc(Cl)cc1 ZINC001409532179 1189992714 /nfs/dbraw/zinc/99/27/14/1189992714.db2.gz XBLJVWVKFKHJQT-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cnccc2C)C1 ZINC001409620483 1190111461 /nfs/dbraw/zinc/11/14/61/1190111461.db2.gz WVYZWTVEGJFDOY-QZTJIDSGSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001483385429 1190435063 /nfs/dbraw/zinc/43/50/63/1190435063.db2.gz WIRDUYOMPZUWPK-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)noc1C ZINC001483468522 1190490958 /nfs/dbraw/zinc/49/09/58/1190490958.db2.gz BZUVGVSMMHTYII-KRWDZBQOSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001483512413 1190525643 /nfs/dbraw/zinc/52/56/43/1190525643.db2.gz YOCXWLRGTMNRSI-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001483550577 1190534325 /nfs/dbraw/zinc/53/43/25/1190534325.db2.gz PSWUGLPSQQWSTJ-MSOLQXFVSA-N 2 0 333.451 2.213 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565306 1190554830 /nfs/dbraw/zinc/55/48/30/1190554830.db2.gz SWOUVUAZIHQACI-KBPBESRZSA-N 2 0 335.414 2.298 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1nc2ccccc2o1)C1CC1 ZINC001483606185 1190584436 /nfs/dbraw/zinc/58/44/36/1190584436.db2.gz BFNILFDYCPTZHA-MRXNPFEDSA-N 2 0 344.459 2.152 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483655325 1190712039 /nfs/dbraw/zinc/71/20/39/1190712039.db2.gz MWPYRRSSYNNGTN-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP COCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001409863374 1190717770 /nfs/dbraw/zinc/71/77/70/1190717770.db2.gz YUUGNRIQIDUHSN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccn1)CC2)[NH+](C)C ZINC001486146329 1193697424 /nfs/dbraw/zinc/69/74/24/1193697424.db2.gz MTTLZAANHATFJM-LNLFQRSKSA-N 2 0 330.476 2.035 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001272441454 1190821930 /nfs/dbraw/zinc/82/19/30/1190821930.db2.gz WNBUGQXBLJVXHJ-SOUVJXGZSA-N 2 0 349.441 2.497 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccc(F)cc2F)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483734507 1190848377 /nfs/dbraw/zinc/84/83/77/1190848377.db2.gz BDFZTIRAMJTMDJ-MRXNPFEDSA-N 2 0 349.425 2.045 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CCNCC(F)(F)C(F)F)C1)[NH+](C)C ZINC001272616121 1190931276 /nfs/dbraw/zinc/93/12/76/1190931276.db2.gz JWKAGFXEIBXKAS-RYUDHWBXSA-N 2 0 341.393 2.055 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001272653576 1190964573 /nfs/dbraw/zinc/96/45/73/1190964573.db2.gz RURIFFVOTPJINO-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001483802856 1191044519 /nfs/dbraw/zinc/04/45/19/1191044519.db2.gz VWOCSOBSVPSKAW-ZIDUMWFYSA-N 2 0 327.900 2.394 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH+](CCCF)CC3CC3)CC2)C1 ZINC001483817681 1191046644 /nfs/dbraw/zinc/04/66/44/1191046644.db2.gz WAPRUQMRXQYAOF-QGZVFWFLSA-N 2 0 339.499 2.391 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847157 1191082463 /nfs/dbraw/zinc/08/24/63/1191082463.db2.gz FWSIHRNRRQYDRL-PKOBYXMFSA-N 2 0 339.499 2.392 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)n1 ZINC001483914359 1191114627 /nfs/dbraw/zinc/11/46/27/1191114627.db2.gz NNOBMEHGSVIJMZ-LSDHHAIUSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)o1 ZINC001483915887 1191114999 /nfs/dbraw/zinc/11/49/99/1191114999.db2.gz JFANFSFOTTXFBZ-ZBFHGGJFSA-N 2 0 336.480 2.184 10 0 EEAERP COCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484112969 1191213782 /nfs/dbraw/zinc/21/37/82/1191213782.db2.gz BYIOUWTXWZPCIX-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001484122135 1191221700 /nfs/dbraw/zinc/22/17/00/1191221700.db2.gz BJYWACGPTAPOAQ-HNNXBMFYSA-N 2 0 337.430 2.499 10 0 EEAERP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484198642 1191269689 /nfs/dbraw/zinc/26/96/89/1191269689.db2.gz KMXNCLOWGOFYEI-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)s1 ZINC001484345736 1191312810 /nfs/dbraw/zinc/31/28/10/1191312810.db2.gz GCQGEWMFMGMGGL-DZGCQCFKSA-N 2 0 338.521 2.120 10 0 EEAERP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001484407227 1191334036 /nfs/dbraw/zinc/33/40/36/1191334036.db2.gz SKTZYMYFWOOTBC-ANJNEXJCSA-N 2 0 333.520 2.463 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccc(F)cn1 ZINC001484464094 1191368944 /nfs/dbraw/zinc/36/89/44/1191368944.db2.gz JEXWOUKGEUOUGX-ZWKOTPCHSA-N 2 0 348.466 2.128 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2csc(C)n2)C1)[NH+](C)C ZINC001484537652 1191404578 /nfs/dbraw/zinc/40/45/78/1191404578.db2.gz KDAZQMURECWZSZ-ZBFHGGJFSA-N 2 0 338.521 2.120 10 0 EEAERP CCn1ccc(C[NH2+]C2(CC)CCN(C(=O)CC[N@H+](C)CC)CC2)n1 ZINC001484817534 1191538613 /nfs/dbraw/zinc/53/86/13/1191538613.db2.gz HVAJQKYYQHLMNC-UHFFFAOYSA-N 2 0 349.523 2.106 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]Cc3ccccc3F)C2)CC1 ZINC001485100568 1191652083 /nfs/dbraw/zinc/65/20/83/1191652083.db2.gz FWAMNTCIXDIOAZ-UHFFFAOYSA-N 2 0 333.451 2.152 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)sc1C ZINC001485186744 1191684888 /nfs/dbraw/zinc/68/48/88/1191684888.db2.gz GZEOKPYPXAFERL-NWDGAFQWSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]Cc1cccnc1 ZINC001485212515 1191695103 /nfs/dbraw/zinc/69/51/03/1191695103.db2.gz SVUWUHXKVYAEJK-HOTGVXAUSA-N 2 0 344.503 2.186 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1cccc(Cl)c1 ZINC001485373397 1191763222 /nfs/dbraw/zinc/76/32/22/1191763222.db2.gz OZAVHDJXYAFMTC-AWEZNQCLSA-N 2 0 335.879 2.372 10 0 EEAERP Cc1cncn1CC(=O)N[C@H](C)C1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001409920341 1191786000 /nfs/dbraw/zinc/78/60/00/1191786000.db2.gz JJCBYKPCNBIDIG-QGZVFWFLSA-N 2 0 340.471 2.445 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2C/C=C/Cl)C1 ZINC001485483562 1191800139 /nfs/dbraw/zinc/80/01/39/1191800139.db2.gz WZEABBVOHZMONS-IDSJHHPBSA-N 2 0 327.900 2.442 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cncs1 ZINC001485481732 1191808296 /nfs/dbraw/zinc/80/82/96/1191808296.db2.gz GLJBHYLKYAAKCH-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C ZINC001486302583 1193806867 /nfs/dbraw/zinc/80/68/67/1193806867.db2.gz FNMUZXUHNRUHKZ-SJORKVTESA-N 2 0 341.540 2.094 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCCF)CC1 ZINC001486441073 1193969673 /nfs/dbraw/zinc/96/96/73/1193969673.db2.gz JNCDZEFIOSDUDX-MRXNPFEDSA-N 2 0 327.488 2.295 10 0 EEAERP CO[C@H](C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001486483137 1193996770 /nfs/dbraw/zinc/99/67/70/1193996770.db2.gz CGHFYSFQXIJSAJ-CTWPCTMYSA-N 2 0 347.503 2.293 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](C/C=C/Cl)CC2)CC1 ZINC001486490553 1194002559 /nfs/dbraw/zinc/00/25/59/1194002559.db2.gz VAJBEBWCECICFO-RUDMXATFSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001273051839 1194357174 /nfs/dbraw/zinc/35/71/74/1194357174.db2.gz GYNVYVKYFDICDH-ZDUSSCGKSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001273123246 1194406682 /nfs/dbraw/zinc/40/66/82/1194406682.db2.gz PPQWBXZBWJIKGN-IUODEOHRSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001410368306 1197759629 /nfs/dbraw/zinc/75/96/29/1197759629.db2.gz AVWCSPQASNFBAY-CRAIPNDOSA-N 2 0 347.478 2.412 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\c1ccccc1 ZINC001410374084 1197767903 /nfs/dbraw/zinc/76/79/03/1197767903.db2.gz HDPSEFWSKBNRBJ-ZODOCNFASA-N 2 0 341.499 2.478 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cnccc2C)CC[N@@H+]1C ZINC001410392014 1197792902 /nfs/dbraw/zinc/79/29/02/1197792902.db2.gz YHJCADYGEYWKFW-BPQIPLTHSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@H](CN(C)C(=O)Cc1ncc[nH]1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001410473233 1198008667 /nfs/dbraw/zinc/00/86/67/1198008667.db2.gz SUVFWDKKCKGHQC-BZNIZROVSA-N 2 0 348.397 2.354 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001410493189 1198047408 /nfs/dbraw/zinc/04/74/08/1198047408.db2.gz AJOXHKQYEACSCP-CYBMUJFWSA-N 2 0 327.419 2.242 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501223 1198056122 /nfs/dbraw/zinc/05/61/22/1198056122.db2.gz GTKVDIJRCARLOK-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CCSc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872257637 1198115767 /nfs/dbraw/zinc/11/57/67/1198115767.db2.gz ULFSIHMUITXIGD-OIISXLGYSA-N 2 0 347.484 2.166 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001273375525 1198396129 /nfs/dbraw/zinc/39/61/29/1198396129.db2.gz STEXELLTVGMPIG-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](C)Oc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(C)n1 ZINC000866010497 1198453430 /nfs/dbraw/zinc/45/34/30/1198453430.db2.gz KWWMLDHAKNEPSQ-DJIMGWMZSA-N 2 0 349.523 2.138 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001410998157 1198674810 /nfs/dbraw/zinc/67/48/10/1198674810.db2.gz APOAUPUGHQVKIE-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001273419884 1198767167 /nfs/dbraw/zinc/76/71/67/1198767167.db2.gz IFORGFXBXVDZNT-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001411117122 1198815918 /nfs/dbraw/zinc/81/59/18/1198815918.db2.gz QFIYNNPHYLVLOY-OLZOCXBDSA-N 2 0 348.318 2.474 10 0 EEAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001411231468 1198941172 /nfs/dbraw/zinc/94/11/72/1198941172.db2.gz BNDCWOKPNLLANI-FHERZECASA-N 2 0 325.472 2.190 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001411242325 1198961530 /nfs/dbraw/zinc/96/15/30/1198961530.db2.gz YUAWUUUPXAEXQF-SZMVWBNQSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428342 1199168377 /nfs/dbraw/zinc/16/83/77/1199168377.db2.gz WKIMBOGBLUUCME-LSDHHAIUSA-N 2 0 336.867 2.130 10 0 EEAERP CC[C@@H]1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875632831 1199325613 /nfs/dbraw/zinc/32/56/13/1199325613.db2.gz JNLZVOSSKBCVNY-XMTFNYHQSA-N 2 0 338.540 2.194 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1 ZINC000880516369 1201509956 /nfs/dbraw/zinc/50/99/56/1201509956.db2.gz SRZADHPSWMQQJG-NSHGMRRFSA-N 2 0 345.487 2.097 10 0 EEAERP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711122 1201587024 /nfs/dbraw/zinc/58/70/24/1201587024.db2.gz CKIWYISSCPLULY-KSZLIROESA-N 2 0 343.471 2.351 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000868161472 1201755716 /nfs/dbraw/zinc/75/57/16/1201755716.db2.gz BNYFLTYGWYSOQD-UHFFFAOYSA-N 2 0 334.464 2.362 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CCOCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001274090306 1204366892 /nfs/dbraw/zinc/36/68/92/1204366892.db2.gz YZHNELZCZRROQJ-LLHWWHOWSA-N 2 0 349.519 2.082 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC001274330265 1204998230 /nfs/dbraw/zinc/99/82/30/1204998230.db2.gz AQLONPDQBAAGEL-IHWYPQMZSA-N 2 0 337.414 2.069 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001274413925 1205026866 /nfs/dbraw/zinc/02/68/66/1205026866.db2.gz POMAFZUMIHAIRX-OOFWQKGWSA-N 2 0 344.503 2.417 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001274508241 1205062547 /nfs/dbraw/zinc/06/25/47/1205062547.db2.gz HIYDXFRWAWCCOC-ARJAWSKDSA-N 2 0 327.472 2.107 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001274577826 1205085439 /nfs/dbraw/zinc/08/54/39/1205085439.db2.gz CRCJLGHDXDKGND-WRFKIARRSA-N 2 0 345.487 2.188 10 0 EEAERP Cc1ccc(CC[NH2+]CC2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001275279139 1205297244 /nfs/dbraw/zinc/29/72/44/1205297244.db2.gz OIFVXDOZYMWTPW-UHFFFAOYSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCc1ccsc1 ZINC001275541062 1205402357 /nfs/dbraw/zinc/40/23/57/1205402357.db2.gz OQOKWLLCPOBJLG-GJZGRUSLSA-N 2 0 335.517 2.259 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275928205 1205590192 /nfs/dbraw/zinc/59/01/92/1205590192.db2.gz GZPSYTOVYMBKQF-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001276232378 1205846178 /nfs/dbraw/zinc/84/61/78/1205846178.db2.gz NTTUXBFLONXSOP-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924970841 1206056679 /nfs/dbraw/zinc/05/66/79/1206056679.db2.gz QVPAWDDXKSEGPO-PMSBKCLSSA-N 3 0 343.515 2.073 10 0 EEAERP C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000925439104 1206111965 /nfs/dbraw/zinc/11/19/65/1206111965.db2.gz QWARQLZOWNESOO-JTDSTZFVSA-N 2 0 345.487 2.025 10 0 EEAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925546865 1206126030 /nfs/dbraw/zinc/12/60/30/1206126030.db2.gz QMXWHBFSHBAZLA-QRQLOZEOSA-N 2 0 328.504 2.057 10 0 EEAERP CC1(C)[C@H]([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925673578 1206142538 /nfs/dbraw/zinc/14/25/38/1206142538.db2.gz ZEXDMSKCHFHVAG-VVLHAWIVSA-N 2 0 334.508 2.033 10 0 EEAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777047 1206153011 /nfs/dbraw/zinc/15/30/11/1206153011.db2.gz BYPLCZHNHIJVRI-QWHCGFSZSA-N 2 0 341.402 2.247 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925802633 1206155348 /nfs/dbraw/zinc/15/53/48/1206155348.db2.gz PFRREEBSXUBJFA-YGONEPDPSA-N 2 0 339.505 2.103 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cn1 ZINC000925807609 1206156197 /nfs/dbraw/zinc/15/61/97/1206156197.db2.gz FYZSEHUSTWDIRP-HNNXBMFYSA-N 2 0 328.435 2.477 10 0 EEAERP Cn1ccnc1[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C1CC1 ZINC000925809589 1206156587 /nfs/dbraw/zinc/15/65/87/1206156587.db2.gz ROTGFJHXGZEODO-LJQANCHMSA-N 2 0 339.487 2.066 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000925813188 1206156909 /nfs/dbraw/zinc/15/69/09/1206156909.db2.gz SENDWGQNIVTTDY-IBGZPJMESA-N 2 0 339.487 2.262 10 0 EEAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843368 1206159112 /nfs/dbraw/zinc/15/91/12/1206159112.db2.gz PPMCGKNCPMOIET-YVWKXTFCSA-N 2 0 329.488 2.246 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)c1 ZINC000925848351 1206160162 /nfs/dbraw/zinc/16/01/62/1206160162.db2.gz GDCJAGCXIQCDOT-ZBFHGGJFSA-N 2 0 332.444 2.340 10 0 EEAERP Cc1c([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)(C)C ZINC000925848497 1206160206 /nfs/dbraw/zinc/16/02/06/1206160206.db2.gz BMHVTXZKOIRZEL-ZFWWWQNUSA-N 2 0 348.491 2.282 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000928442592 1206384243 /nfs/dbraw/zinc/38/42/43/1206384243.db2.gz WNNZTRSEDMOGSO-AEFFLSMTSA-N 2 0 329.488 2.498 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000928828362 1206424807 /nfs/dbraw/zinc/42/48/07/1206424807.db2.gz RTTZEZLQIKBRJM-GOSISDBHSA-N 2 0 332.492 2.311 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOC1CCSCC1 ZINC000930059573 1206532169 /nfs/dbraw/zinc/53/21/69/1206532169.db2.gz FAYILHMHSNRVGK-PVAVHDDUSA-N 2 0 328.522 2.082 10 0 EEAERP CCOC(=O)c1c[nH]nc1[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000931009024 1206599355 /nfs/dbraw/zinc/59/93/55/1206599355.db2.gz YGHUJKWZZSGTTR-LSDHHAIUSA-N 2 0 334.464 2.250 10 0 EEAERP C[C@@]12CN(CCN3CCCC3=O)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215427 1206616611 /nfs/dbraw/zinc/61/66/11/1206616611.db2.gz XJRPQNCLPUSRTM-SFTDATJTSA-N 2 0 341.499 2.453 10 0 EEAERP CS[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H]1[NH+](C)C ZINC000901231709 1235424860 /nfs/dbraw/zinc/42/48/60/1235424860.db2.gz WRDCIYPATBQOQE-HZPDHXFCSA-N 2 0 346.500 2.408 10 0 EEAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000901291551 1235486853 /nfs/dbraw/zinc/48/68/53/1235486853.db2.gz JURCRYFLKDZEST-FQEVSTJZSA-N 2 0 345.487 2.110 10 0 EEAERP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCOCC1 ZINC000902794464 1238546272 /nfs/dbraw/zinc/54/62/72/1238546272.db2.gz WHIGBNZQABKUPS-ZWKOTPCHSA-N 2 0 339.524 2.005 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1COc2ccccc2C1 ZINC000902803743 1238569822 /nfs/dbraw/zinc/56/98/22/1238569822.db2.gz XZYBXRFKZDKOMV-WDSOQIARSA-N 2 0 343.515 2.384 10 0 EEAERP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903083985 1239692415 /nfs/dbraw/zinc/69/24/15/1239692415.db2.gz SCNMMBKQPRWPTD-HSALFYBXSA-N 2 0 330.472 2.436 10 0 EEAERP C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903217469 1240031465 /nfs/dbraw/zinc/03/14/65/1240031465.db2.gz AYPMSBYHIQTBTG-HZPDHXFCSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001493240154 1249795745 /nfs/dbraw/zinc/79/57/45/1249795745.db2.gz IIRVRYBOFZOZGH-DODUIYEKSA-N 2 0 327.900 2.442 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000903493525 1240661219 /nfs/dbraw/zinc/66/12/19/1240661219.db2.gz UGNYMMPIOWFCFW-KOJWFEOWSA-N 2 0 332.419 2.415 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2cc3ccccc3o2)cnn1C ZINC000903922079 1242511222 /nfs/dbraw/zinc/51/12/22/1242511222.db2.gz UODFTUMMYGIUHD-HNNXBMFYSA-N 2 0 326.444 2.424 10 0 EEAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956404 1242711550 /nfs/dbraw/zinc/71/15/50/1242711550.db2.gz KYZWSINHRKPEHC-OLZOCXBDSA-N 2 0 341.402 2.247 10 0 EEAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000903973397 1242808660 /nfs/dbraw/zinc/80/86/60/1242808660.db2.gz CEORLNRDTUMWRE-QLFBSQMISA-N 2 0 349.475 2.256 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491026456 1258583172 /nfs/dbraw/zinc/58/31/72/1258583172.db2.gz NZHBZEJBKYSCPL-OWCLPIDISA-N 2 0 348.491 2.409 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001491351779 1258992972 /nfs/dbraw/zinc/99/29/72/1258992972.db2.gz KENSPVSQOYQBBX-CLEQESDUSA-N 2 0 333.879 2.436 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001491455078 1259098312 /nfs/dbraw/zinc/09/83/12/1259098312.db2.gz OBMUBIIDZZJPOM-RDJZCZTQSA-N 2 0 349.523 2.105 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cnoc2C)C1)[NH+](C)C ZINC001267887078 1276748381 /nfs/dbraw/zinc/74/83/81/1276748381.db2.gz BIKPTLCGHKJXOX-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267893848 1276787915 /nfs/dbraw/zinc/78/79/15/1276787915.db2.gz WFZZKTHTTJUCFF-INIZCTEOSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000850500755 1277249002 /nfs/dbraw/zinc/24/90/02/1277249002.db2.gz JDDFROIQCRHTQX-FZKCQIBNSA-N 2 0 331.595 2.228 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)C1 ZINC000850507312 1277253375 /nfs/dbraw/zinc/25/33/75/1277253375.db2.gz FHVPCPSQRZMWKC-IBGZPJMESA-N 2 0 346.471 2.029 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001489001970 1290326088 /nfs/dbraw/zinc/32/60/88/1290326088.db2.gz ZRLYMSRLQYPOCM-DOTOQJQBSA-N 2 0 348.491 2.186 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)c1 ZINC001489315497 1290506199 /nfs/dbraw/zinc/50/61/99/1290506199.db2.gz XWMIFWBQTCKUDE-QAPCUYQASA-N 2 0 333.476 2.114 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001490197658 1291033105 /nfs/dbraw/zinc/03/31/05/1291033105.db2.gz XRKYTXKDPNQQFW-IBGZPJMESA-N 2 0 329.488 2.275 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001490420320 1291331257 /nfs/dbraw/zinc/33/12/57/1291331257.db2.gz WPWLPNOUIDCNLS-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3COC(C)(C)O3)C2)ccn1 ZINC000856584355 1293572085 /nfs/dbraw/zinc/57/20/85/1293572085.db2.gz IJCBNHJJSPWIPU-ROUUACIJSA-N 2 0 349.475 2.138 10 0 EEAERP CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000862488016 1295857179 /nfs/dbraw/zinc/85/71/79/1295857179.db2.gz ZLPPMTIFGTVGAI-QGZVFWFLSA-N 2 0 332.444 2.369 10 0 EEAERP C[C@@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000863643752 1296361306 /nfs/dbraw/zinc/36/13/06/1296361306.db2.gz VIZZFOUBIGHCNH-QGTPRVQTSA-N 2 0 329.444 2.047 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001277092510 1301235743 /nfs/dbraw/zinc/23/57/43/1301235743.db2.gz FMCSEVISIQSSBK-AAVRWANBSA-N 2 0 335.414 2.296 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)on1 ZINC001277314077 1302342841 /nfs/dbraw/zinc/34/28/41/1302342841.db2.gz MVQWVMHLUSTYOL-CQSZACIVSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001277981657 1305561997 /nfs/dbraw/zinc/56/19/97/1305561997.db2.gz OCELDLMQHCBIKL-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001278342239 1309619046 /nfs/dbraw/zinc/61/90/46/1309619046.db2.gz TTZULSCWHGMWLC-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001278390606 1309999263 /nfs/dbraw/zinc/99/92/63/1309999263.db2.gz JLVRHCXNUOJWAS-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001278424759 1310206777 /nfs/dbraw/zinc/20/67/77/1310206777.db2.gz VSVCOHHZVAQQTF-ZWKOTPCHSA-N 2 0 347.503 2.293 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000840747651 1315405520 /nfs/dbraw/zinc/40/55/20/1315405520.db2.gz URGLJTKQRMUEOK-KZNAEPCWSA-N 2 0 325.541 2.037 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+]1CCCCC1 ZINC000841326705 1315532063 /nfs/dbraw/zinc/53/20/63/1315532063.db2.gz XJFKSRILYMTRKY-CYBMUJFWSA-N 2 0 334.439 2.467 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C2CC2)no1 ZINC001276404610 1315585160 /nfs/dbraw/zinc/58/51/60/1315585160.db2.gz JXWWOZJTQBIWNI-GOSISDBHSA-N 2 0 348.491 2.365 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841755187 1315609014 /nfs/dbraw/zinc/60/90/14/1315609014.db2.gz XNRUDBTUFXCNKP-MAUKXSAKSA-N 2 0 336.524 2.328 10 0 EEAERP FC(F)[C@@H]1C[NH2+]CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000843124726 1315848465 /nfs/dbraw/zinc/84/84/65/1315848465.db2.gz LJTGCCOBCOHIPF-KRWDZBQOSA-N 2 0 339.430 2.200 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)n1 ZINC000843505014 1315925192 /nfs/dbraw/zinc/92/51/92/1315925192.db2.gz UBEYISVVKJZUIU-KBPBESRZSA-N 2 0 336.867 2.224 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001278522213 1317134815 /nfs/dbraw/zinc/13/48/15/1317134815.db2.gz VDYOIAIHBKQSCX-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278594339 1317306834 /nfs/dbraw/zinc/30/68/34/1317306834.db2.gz NWMZOSKWMXRQCS-DOTOQJQBSA-N 2 0 335.467 2.194 10 0 EEAERP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001264536185 1322726831 /nfs/dbraw/zinc/72/68/31/1322726831.db2.gz NIUDJQUOLWJAAZ-IXDOHACOSA-N 2 0 341.540 2.216 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264681393 1322781640 /nfs/dbraw/zinc/78/16/40/1322781640.db2.gz ASERMEWWKBHCDS-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001264686118 1322784631 /nfs/dbraw/zinc/78/46/31/1322784631.db2.gz ZXBZDWWQMXAAHD-SFHVURJKSA-N 2 0 339.524 2.260 10 0 EEAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cccnc1 ZINC001264986306 1322834882 /nfs/dbraw/zinc/83/48/82/1322834882.db2.gz GHOZABTXZCFLCY-UHFFFAOYSA-N 2 0 332.492 2.284 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001265043581 1322885653 /nfs/dbraw/zinc/88/56/53/1322885653.db2.gz RNOIFWNLYVNIBM-OAHLLOKOSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001265061620 1322900168 /nfs/dbraw/zinc/90/01/68/1322900168.db2.gz XSFBRSUIQMFBDL-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC001265126750 1322935435 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2.282 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2ccccn2)CCC1 ZINC001266219886 1323789631 /nfs/dbraw/zinc/78/96/31/1323789631.db2.gz KGAFMGMNBCWEJL-SFHVURJKSA-N 2 0 344.503 2.427 10 0 EEAERP CCc1noc(C)c1C[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001279669246 1323976047 /nfs/dbraw/zinc/97/60/47/1323976047.db2.gz VYGXCYRFMHKMNE-UHFFFAOYSA-N 2 0 348.491 2.136 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280172475 1324103636 /nfs/dbraw/zinc/10/36/36/1324103636.db2.gz GPYPSDMQKIZTEH-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001280307736 1324152303 /nfs/dbraw/zinc/15/23/03/1324152303.db2.gz NYXLXAFKDNCWPQ-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001280440991 1324227562 /nfs/dbraw/zinc/22/75/62/1324227562.db2.gz QIEOAJDRBMBVDQ-WGTGFREXSA-N 2 0 325.884 2.051 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001276552575 1324278798 /nfs/dbraw/zinc/27/87/98/1324278798.db2.gz KZUQBQRTGBCRPP-PMACEKPBSA-N 2 0 343.515 2.370 10 0 EEAERP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276593263 1324686212 /nfs/dbraw/zinc/68/62/12/1324686212.db2.gz IYCKVJRMLVZIAX-SJORKVTESA-N 2 0 341.540 2.214 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@@H](C)C1 ZINC001281459420 1325124950 /nfs/dbraw/zinc/12/49/50/1325124950.db2.gz TYXMFONSHAJHHP-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001281553351 1325266016 /nfs/dbraw/zinc/26/60/16/1325266016.db2.gz PTNAVHZACCAHPA-IAGOWNOFSA-N 2 0 341.540 2.216 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001282781628 1325784685 /nfs/dbraw/zinc/78/46/85/1325784685.db2.gz MNCPDAZEDYITLN-IBGZPJMESA-N 2 0 339.524 2.212 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCCC(F)(F)F ZINC001283681807 1326199629 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337.430 2.355 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001316771738 1331884723 /nfs/dbraw/zinc/88/47/23/1331884723.db2.gz OAIWTVLVQDRFRY-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@H]1CCC(F)(F)C1 ZINC001316886732 1331952495 /nfs/dbraw/zinc/95/24/95/1331952495.db2.gz IVGAWRFVDAASTD-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC[C@@H]1CCCO1)C1CC1 ZINC001316922858 1331989141 /nfs/dbraw/zinc/98/91/41/1331989141.db2.gz XODFPOBQZXIFCG-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCCc2ccccc2)C2CC2)CC1 ZINC001317022070 1332047767 /nfs/dbraw/zinc/04/77/67/1332047767.db2.gz BQVDQAYCJVFWMQ-FQEVSTJZSA-N 2 0 343.515 2.445 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001317091365 1332075566 /nfs/dbraw/zinc/07/55/66/1332075566.db2.gz RPHRWCGBJGSLJP-ULQDDVLXSA-N 2 0 335.517 2.259 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001317326443 1332180483 /nfs/dbraw/zinc/18/04/83/1332180483.db2.gz PLFGBPAYUGOJSV-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001317336837 1332184200 /nfs/dbraw/zinc/18/42/00/1332184200.db2.gz JFLSPSFCMHCUTJ-SJORKVTESA-N 2 0 347.478 2.148 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001317405298 1332216426 /nfs/dbraw/zinc/21/64/26/1332216426.db2.gz GUGMFFATYMFQMQ-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)no1 ZINC001317435764 1332239324 /nfs/dbraw/zinc/23/93/24/1332239324.db2.gz USIXJZVGLMNYOP-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001317589333 1332311788 /nfs/dbraw/zinc/31/17/88/1332311788.db2.gz PMXQWUORSUYERE-DNVCBOLYSA-N 2 0 329.488 2.064 10 0 EEAERP COc1ccc(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660242 1332355044 /nfs/dbraw/zinc/35/50/44/1332355044.db2.gz BCYDKLBSJLMDLV-KRWDZBQOSA-N 2 0 347.503 2.318 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318423150 1332530125 /nfs/dbraw/zinc/53/01/25/1332530125.db2.gz CITVFXPZQKDWLP-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001318671455 1332575404 /nfs/dbraw/zinc/57/54/04/1332575404.db2.gz RSVXSOJHGRIIBH-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001318959923 1332629370 /nfs/dbraw/zinc/62/93/70/1332629370.db2.gz UKZMQGAESOPLES-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319460884 1332705574 /nfs/dbraw/zinc/70/55/74/1332705574.db2.gz RMHZWVYFRBRPPQ-YLJYHZDGSA-N 2 0 343.515 2.398 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001319710321 1332747714 /nfs/dbraw/zinc/74/77/14/1332747714.db2.gz LVEFVYGKYGVOBS-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001319764174 1332761545 /nfs/dbraw/zinc/76/15/45/1332761545.db2.gz BZOYUPPUHAZDFF-DOTOQJQBSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cscn1 ZINC001319789826 1332768353 /nfs/dbraw/zinc/76/83/53/1332768353.db2.gz DLABOZVTBWDUEU-INIZCTEOSA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320416472 1332878450 /nfs/dbraw/zinc/87/84/50/1332878450.db2.gz VNXGEYZXMJWJCC-HOCLYGCPSA-N 2 0 348.491 2.124 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001320463198 1332889139 /nfs/dbraw/zinc/88/91/39/1332889139.db2.gz FFESSHIOGBYGNL-CRAIPNDOSA-N 2 0 333.476 2.164 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC001321224718 1333048886 /nfs/dbraw/zinc/04/88/86/1333048886.db2.gz UPMVERHJRUTOHG-YIEVGGLXSA-N 2 0 329.488 2.450 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001321249999 1333055315 /nfs/dbraw/zinc/05/53/15/1333055315.db2.gz NCSGMUIKWTXYNB-BDUNBXCCSA-N 2 0 329.488 2.407 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001321640937 1333136739 /nfs/dbraw/zinc/13/67/39/1333136739.db2.gz JKVZGUFNTSPCBK-CQSZACIVSA-N 2 0 337.895 2.319 10 0 EEAERP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001322362184 1333254035 /nfs/dbraw/zinc/25/40/35/1333254035.db2.gz XNAAOZNJICMYCG-ZIAGYGMSSA-N 2 0 347.425 2.299 10 0 EEAERP CCN1CCO[C@@H](C(=O)N(C)CCC[NH2+]CCC2CCCCC2)C1 ZINC001322841372 1333338394 /nfs/dbraw/zinc/33/83/94/1333338394.db2.gz HOBXXUCRUKBHKJ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325416019 1333882326 /nfs/dbraw/zinc/88/23/26/1333882326.db2.gz KMBGTAQUSGUHQY-HUUCEWRRSA-N 2 0 344.459 2.430 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001325690154 1333941117 /nfs/dbraw/zinc/94/11/17/1333941117.db2.gz RUFXEJNWZAHXIU-ROUUACIJSA-N 2 0 335.467 2.447 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001326432791 1334092730 /nfs/dbraw/zinc/09/27/30/1334092730.db2.gz UGTPHQBIUSKNMH-GOSISDBHSA-N 2 0 344.503 2.122 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)no1 ZINC001326439087 1334094735 /nfs/dbraw/zinc/09/47/35/1334094735.db2.gz UYUUKABVELGBPD-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CC1([NH2+]CCOc2ccccc2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328051585 1334384872 /nfs/dbraw/zinc/38/48/72/1334384872.db2.gz WGOGOPDKFMWFDL-UHFFFAOYSA-N 2 0 345.487 2.132 10 0 EEAERP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330263038 1334814551 /nfs/dbraw/zinc/81/45/51/1334814551.db2.gz NYPFGVGSVKSBTR-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001331927075 1335677703 /nfs/dbraw/zinc/67/77/03/1335677703.db2.gz SOFDPRABQBDNQT-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001332217173 1335769521 /nfs/dbraw/zinc/76/95/21/1335769521.db2.gz GXCAIRQAPLWQHM-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001332339850 1335805898 /nfs/dbraw/zinc/80/58/98/1335805898.db2.gz ISQVRRBLJYOIMN-DUIXZTDISA-N 2 0 327.900 2.489 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CCCCCF)C(C)(C)C2)C1 ZINC001332435912 1335823866 /nfs/dbraw/zinc/82/38/66/1335823866.db2.gz BWYDDQNZSLJPTD-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCCc3ccsc3)C(C)(C)C2)C1 ZINC001332440767 1335824581 /nfs/dbraw/zinc/82/45/81/1335824581.db2.gz ASOQHBPLKJOJCU-SJORKVTESA-N 2 0 349.544 2.459 10 0 EEAERP C[N@H+](CC(=O)NCC1=CC[NH+](CC[C@H]2CCCCO2)CC1)C1CCC1 ZINC001333354426 1336017862 /nfs/dbraw/zinc/01/78/62/1336017862.db2.gz JBIZYGLIBFBOSU-LJQANCHMSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1ccncc1C[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001479815534 1337395888 /nfs/dbraw/zinc/39/58/88/1337395888.db2.gz JJOUFPSCGTYIBA-CALCHBBNSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001666161809 1355471609 /nfs/dbraw/zinc/47/16/09/1355471609.db2.gz FVJCCYXORMHYAX-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1c(C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@@H](C)F)C2)ccc2c[nH+]cn21 ZINC001436350112 1342045627 /nfs/dbraw/zinc/04/56/27/1342045627.db2.gz KURBIAKWAXUJBQ-YUELXQCFSA-N 2 0 332.423 2.489 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001566893813 1342647807 /nfs/dbraw/zinc/64/78/07/1342647807.db2.gz PJJLMDFMBVNRCN-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](CCCCCF)C1 ZINC001566966681 1342667248 /nfs/dbraw/zinc/66/72/48/1342667248.db2.gz YEFKSZOJWDYCME-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP COc1cccc(CCC[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001567051423 1342686594 /nfs/dbraw/zinc/68/65/94/1342686594.db2.gz VCKUIUQRTIOWQE-INIZCTEOSA-N 2 0 347.503 2.064 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CC[C@@H]2CC2(Cl)Cl)C2CC2)C1 ZINC001567454597 1342763933 /nfs/dbraw/zinc/76/39/33/1342763933.db2.gz ZYVFCXGCTLBCTP-CHWSQXEVSA-N 2 0 348.318 2.103 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001567499070 1342770660 /nfs/dbraw/zinc/77/06/60/1342770660.db2.gz YZDBXSFYCWNZET-PKOBYXMFSA-N 2 0 342.487 2.446 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567591156 1342789291 /nfs/dbraw/zinc/78/92/91/1342789291.db2.gz YZINCNAJTIAGAD-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOCC2CCC2)C[C@@H]1C ZINC001569528756 1342893068 /nfs/dbraw/zinc/89/30/68/1342893068.db2.gz YGYAODZKAMZUME-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCCF)C3)CC1 ZINC001569798546 1342946503 /nfs/dbraw/zinc/94/65/03/1342946503.db2.gz JNCPENVEDOVWDW-JQHSSLGASA-N 2 0 339.499 2.437 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001570177528 1343025799 /nfs/dbraw/zinc/02/57/99/1343025799.db2.gz NSVLIXKZWCKHML-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001571417411 1343207699 /nfs/dbraw/zinc/20/76/99/1343207699.db2.gz CJLRVZHEJXKKAR-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001571625645 1343255033 /nfs/dbraw/zinc/25/50/33/1343255033.db2.gz IOHJBHRMMXWMAW-HNNXBMFYSA-N 2 0 327.513 2.016 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677262715 1357303377 /nfs/dbraw/zinc/30/33/77/1357303377.db2.gz BUXJFEFHDFDMRH-IRXDYDNUSA-N 2 0 341.540 2.406 10 0 EEAERP CCOCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001677346387 1357317537 /nfs/dbraw/zinc/31/75/37/1357317537.db2.gz KUPZXOOMGOVRFN-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CC2CCOCC2)CC1 ZINC001677575527 1357360212 /nfs/dbraw/zinc/36/02/12/1357360212.db2.gz WYXKJCXZPGYROW-IBGZPJMESA-N 2 0 349.519 2.036 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@H]3CCCC[C@H]3[NH3+])CCCC2)CC1 ZINC001647248741 1353206655 /nfs/dbraw/zinc/20/66/55/1353206655.db2.gz LVNDCWSLKNDAQS-DLBZAZTESA-N 2 0 337.508 2.044 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(F)cc1 ZINC001647322658 1353230794 /nfs/dbraw/zinc/23/07/94/1353230794.db2.gz XFTGFODTKDUAPE-GVDBMIGSSA-N 2 0 346.450 2.155 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1F ZINC001649440077 1353506132 /nfs/dbraw/zinc/50/61/32/1353506132.db2.gz JDYZQDUBUQIVRZ-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001656175758 1354210792 /nfs/dbraw/zinc/21/07/92/1354210792.db2.gz HDJHRNSNHLLEFF-MELADBBJSA-N 2 0 335.414 2.155 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1nc2ccccc2o1 ZINC001660502468 1354476422 /nfs/dbraw/zinc/47/64/22/1354476422.db2.gz RLXGPLCJXNSYFR-MRXNPFEDSA-N 2 0 344.459 2.250 10 0 EEAERP CC(C)OCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001660779934 1354536850 /nfs/dbraw/zinc/53/68/50/1354536850.db2.gz GOXBJIGOPBQZFV-SFHVURJKSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCOc3ccccc3)C2)CC1 ZINC001661644864 1354668367 /nfs/dbraw/zinc/66/83/67/1354668367.db2.gz TXKPTODCADCNRQ-HDICACEKSA-N 2 0 345.487 2.034 10 0 EEAERP COCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001661930621 1354725011 /nfs/dbraw/zinc/72/50/11/1354725011.db2.gz WMDWXDJQNPBOMO-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCOc1ccccc1 ZINC001662349915 1354784260 /nfs/dbraw/zinc/78/42/60/1354784260.db2.gz GGULJNHLTUOJFE-QZTJIDSGSA-N 2 0 347.503 2.424 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001662631433 1354816429 /nfs/dbraw/zinc/81/64/29/1354816429.db2.gz YNQHIIMOAWBSFT-SLFFLAALSA-N 2 0 343.515 2.398 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001662779486 1354844496 /nfs/dbraw/zinc/84/44/96/1354844496.db2.gz NNFFOLFBZCLIMX-CABCVRRESA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001673406776 1354852973 /nfs/dbraw/zinc/85/29/73/1354852973.db2.gz JFCBYXRBQBBNJH-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001664044168 1355080406 /nfs/dbraw/zinc/08/04/06/1355080406.db2.gz QVAJSYPNKZGXAG-YHYXMXQVSA-N 2 0 327.472 2.376 10 0 EEAERP Cc1cnc(CNCCN(C)C(=O)Cn2ccnc2C(C)C)s1 ZINC001664223980 1355115914 /nfs/dbraw/zinc/11/59/14/1355115914.db2.gz XOPUHIYYDCIUNG-UHFFFAOYSA-N 2 0 335.477 2.020 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001664391934 1355153280 /nfs/dbraw/zinc/15/32/80/1355153280.db2.gz URLZTGHSAULBGB-IYBDPMFKSA-N 2 0 333.476 2.116 10 0 EEAERP COCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001664442289 1355165330 /nfs/dbraw/zinc/16/53/30/1355165330.db2.gz KTBGAKHXCOOKFC-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cncn1C ZINC001664557387 1355192683 /nfs/dbraw/zinc/19/26/83/1355192683.db2.gz AWDZFKMVBGCPLS-IRXDYDNUSA-N 2 0 349.523 2.010 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1)C1CCC1 ZINC001666115157 1355455201 /nfs/dbraw/zinc/45/52/01/1355455201.db2.gz JJLQTRNFSWDHIF-KRWDZBQOSA-N 2 0 344.503 2.284 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001666140931 1355465179 /nfs/dbraw/zinc/46/51/79/1355465179.db2.gz ZXEUWUZEHROTDV-HNNXBMFYSA-N 2 0 348.491 2.222 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001666482327 1355531420 /nfs/dbraw/zinc/53/14/20/1355531420.db2.gz CBOSBHNTNOITPA-LJQANCHMSA-N 2 0 329.488 2.296 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001667053815 1355639860 /nfs/dbraw/zinc/63/98/60/1355639860.db2.gz IQMHOKLTYSZQLN-HNNXBMFYSA-N 2 0 337.895 2.415 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccon1 ZINC001667279851 1355697472 /nfs/dbraw/zinc/69/74/72/1355697472.db2.gz ZKLKNLSXLPLPNG-IRXDYDNUSA-N 2 0 334.464 2.020 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001667306972 1355704943 /nfs/dbraw/zinc/70/49/43/1355704943.db2.gz NGOBDNDDKMTDLJ-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667998573 1355844794 /nfs/dbraw/zinc/84/47/94/1355844794.db2.gz CUKYVIMSTCZSTR-LRDDRELGSA-N 2 0 325.403 2.043 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ns1 ZINC001668083303 1355865394 /nfs/dbraw/zinc/86/53/94/1355865394.db2.gz XUXVUMHEVLUDRW-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001668262808 1355910749 /nfs/dbraw/zinc/91/07/49/1355910749.db2.gz GJRYIEVSKRGLBK-AWEZNQCLSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC=C(Cl)Cl ZINC001669201117 1356123339 /nfs/dbraw/zinc/12/33/39/1356123339.db2.gz MFIHDTYUVHRUQP-LGRKWKCASA-N 2 0 334.291 2.440 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)n1)C(=O)C[N@H+](C)C1CCC1 ZINC001670128117 1356280636 /nfs/dbraw/zinc/28/06/36/1356280636.db2.gz XUNMNQOQZBKOEU-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCCCCF)C12CCC[NH+]1CCC2 ZINC001671318451 1356328174 /nfs/dbraw/zinc/32/81/74/1356328174.db2.gz KFOCSELOLMDZDG-MRXNPFEDSA-N 2 0 325.472 2.335 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671548469 1356360235 /nfs/dbraw/zinc/36/02/35/1356360235.db2.gz MFYKCTITQFDCJR-IRXDYDNUSA-N 2 0 327.488 2.343 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001672809499 1356589121 /nfs/dbraw/zinc/58/91/21/1356589121.db2.gz CIHGQBKVUQBOAD-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001672839449 1356597272 /nfs/dbraw/zinc/59/72/72/1356597272.db2.gz MUGHGOSWVFJVRX-DOTOQJQBSA-N 2 0 335.517 2.213 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001673381033 1356681517 /nfs/dbraw/zinc/68/15/17/1356681517.db2.gz PYFKLQTXVQOTJG-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)CCC(F)(F)F ZINC001691751143 1356814620 /nfs/dbraw/zinc/81/46/20/1356814620.db2.gz CYPMTJLLEFYWHV-AWEZNQCLSA-N 2 0 337.430 2.497 10 0 EEAERP COCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001674686545 1356875889 /nfs/dbraw/zinc/87/58/89/1356875889.db2.gz GGMYJUANJPIWFX-ZIAGYGMSSA-N 2 0 332.448 2.166 10 0 EEAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698824667 1405091677 /nfs/dbraw/zinc/09/16/77/1405091677.db2.gz PBYPGKZMFJEIQX-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001698862499 1405118499 /nfs/dbraw/zinc/11/84/99/1405118499.db2.gz ZJFGPIXATCQBNF-OLZOCXBDSA-N 2 0 338.323 2.347 10 0 EEAERP Cc1ccc(OCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001699391557 1405346046 /nfs/dbraw/zinc/34/60/46/1405346046.db2.gz WZPHLZJOXCYUKY-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)co1 ZINC001699545173 1405380141 /nfs/dbraw/zinc/38/01/41/1405380141.db2.gz HBXCWGXWYPNZIX-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@@H+]1CC[C@@H](c2nnc3n2CC[NH+](Cc2ccccc2)CC3)C1 ZINC000257189205 790634836 /nfs/dbraw/zinc/63/48/36/790634836.db2.gz HRDHWASEKVFJFR-QGZVFWFLSA-N 2 0 325.460 2.146 10 0 EEAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912650642 788281902 /nfs/dbraw/zinc/28/19/02/788281902.db2.gz OTPOQULKNKTTGW-CRAIPNDOSA-N 2 0 332.492 2.478 10 0 EEAERP COc1ccc(OC)c2c1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@@H]2O ZINC000923301531 789336772 /nfs/dbraw/zinc/33/67/72/789336772.db2.gz KPXBIVWUCNHWOY-BTFYYFJDSA-N 2 0 346.471 2.474 10 0 EEAERP O=C1N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923381203 789464102 /nfs/dbraw/zinc/46/41/02/789464102.db2.gz SIOPTXNEWPZCDY-MSOLQXFVSA-N 2 0 346.519 2.177 10 0 EEAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385598 789480218 /nfs/dbraw/zinc/48/02/18/789480218.db2.gz BBPKZINPBMXKMN-RTBURBONSA-N 2 0 332.488 2.446 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)ccn1 ZINC000844911860 789482657 /nfs/dbraw/zinc/48/26/57/789482657.db2.gz ANFVUQGVOZJFJV-GJZGRUSLSA-N 2 0 343.431 2.275 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000923400821 789501634 /nfs/dbraw/zinc/50/16/34/789501634.db2.gz ZBPRRTNGKQNBGU-DLBZAZTESA-N 2 0 333.476 2.214 10 0 EEAERP O[C@@H](CCc1ccccc1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923408650 789514633 /nfs/dbraw/zinc/51/46/33/789514633.db2.gz DJMXWRIQSBRZJS-VQTJNVASSA-N 2 0 332.488 2.071 10 0 EEAERP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450906 789581543 /nfs/dbraw/zinc/58/15/43/789581543.db2.gz YBZKKNCNVBHLHG-OAHLLOKOSA-N 2 0 349.450 2.293 10 0 EEAERP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502511 789666836 /nfs/dbraw/zinc/66/68/36/789666836.db2.gz ZIYXCPFQRQUGOG-ILXRZTDVSA-N 2 0 333.501 2.431 10 0 EEAERP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923517182 789705677 /nfs/dbraw/zinc/70/56/77/789705677.db2.gz BALUYSPGBSRFBI-HDMKZQKVSA-N 2 0 331.435 2.171 10 0 EEAERP Cn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C2CCCC2)n1 ZINC000921720983 795611857 /nfs/dbraw/zinc/61/18/57/795611857.db2.gz NTKUVXGETBANGO-SFHVURJKSA-N 2 0 334.508 2.404 10 0 EEAERP OC1CCN(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716668466 796405917 /nfs/dbraw/zinc/40/59/17/796405917.db2.gz KLEOAUJNUFSIQZ-ZCNNSNEGSA-N 2 0 343.515 2.086 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000922165181 799614611 /nfs/dbraw/zinc/61/46/11/799614611.db2.gz AIGCSOVBXOXCJO-UHFFFAOYSA-N 2 0 332.448 2.039 10 0 EEAERP CN1C[C@H](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000922486141 801152643 /nfs/dbraw/zinc/15/26/43/801152643.db2.gz OYUXBEQTMVCZFG-GOSISDBHSA-N 2 0 345.487 2.119 10 0 EEAERP C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000922639487 801562298 /nfs/dbraw/zinc/56/22/98/801562298.db2.gz OAGQQOWKSIMQRD-GWCFXTLKSA-N 2 0 328.359 2.194 10 0 EEAERP COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1(F)F ZINC000787777587 807232088 /nfs/dbraw/zinc/23/20/88/807232088.db2.gz RXWHOBSGNSZXKU-JURCDPSOSA-N 2 0 330.419 2.283 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[NH+](CC=C(C)C)C1 ZINC001565997995 1125494259 /nfs/dbraw/zinc/49/42/59/1125494259.db2.gz OUKFRQCXXVCJPT-VJANTYMQSA-N 2 0 333.520 2.463 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001436401246 1087747633 /nfs/dbraw/zinc/74/76/33/1087747633.db2.gz FVLMQGUGHIWSFT-IXYNUQLISA-N 2 0 343.462 2.389 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]Cc1ccncc1Cl)C1CC1 ZINC001436837508 1088466254 /nfs/dbraw/zinc/46/62/54/1088466254.db2.gz ZMXVQJCJMRLUFN-INIZCTEOSA-N 2 0 338.883 2.060 10 0 EEAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001436841073 1088474663 /nfs/dbraw/zinc/47/46/63/1088474663.db2.gz MFRUJVNXGGMRPH-INIZCTEOSA-N 2 0 325.472 2.002 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001436902056 1088556052 /nfs/dbraw/zinc/55/60/52/1088556052.db2.gz KQJMFGCMRRCINM-SHTZXODSSA-N 2 0 348.491 2.373 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001436974817 1088670129 /nfs/dbraw/zinc/67/01/29/1088670129.db2.gz GUDKPCUVSSDYEJ-IYBDPMFKSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC001437124694 1089106864 /nfs/dbraw/zinc/10/68/64/1089106864.db2.gz AZLCLKOXXRKGDL-WFASDCNBSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001437325242 1089492096 /nfs/dbraw/zinc/49/20/96/1089492096.db2.gz QMOAVUXQEKWAGB-HUUCEWRRSA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C[C@H](OC)c2ccccc2)CC[N@@H+]1C ZINC001437461922 1089780311 /nfs/dbraw/zinc/78/03/11/1089780311.db2.gz DVOMTLGCRKMQKL-OTWHNJEPSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001437936833 1090529865 /nfs/dbraw/zinc/52/98/65/1090529865.db2.gz FOBKGCDUFRWWMZ-SJORKVTESA-N 2 0 349.544 2.461 10 0 EEAERP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437939293 1090532421 /nfs/dbraw/zinc/53/24/21/1090532421.db2.gz FUCXGTXBDFHQLK-OAHLLOKOSA-N 2 0 336.480 2.078 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnoc1C ZINC001438313896 1090791867 /nfs/dbraw/zinc/79/18/67/1090791867.db2.gz UADAEWLWDYDHTM-SJLPKXTDSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(OC)c1 ZINC001438341777 1090817524 /nfs/dbraw/zinc/81/75/24/1090817524.db2.gz MNEWJARPJVXQAJ-FUHWJXTLSA-N 2 0 333.476 2.164 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001438374132 1090853509 /nfs/dbraw/zinc/85/35/09/1090853509.db2.gz IULPLHBOSZIUQL-ROUUACIJSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001438430522 1090929618 /nfs/dbraw/zinc/92/96/18/1090929618.db2.gz AWKNURIDKOEPLJ-KDOFPFPSSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438723301 1091252315 /nfs/dbraw/zinc/25/23/15/1091252315.db2.gz QQIZHNVEBKYHFH-JSGCOSHPSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001445478798 1091257427 /nfs/dbraw/zinc/25/74/27/1091257427.db2.gz GFLGCMRXYOYMPM-LLVKDONJSA-N 2 0 327.881 2.092 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001438728478 1091264591 /nfs/dbraw/zinc/26/45/91/1091264591.db2.gz KTBPGCFGWRZUQO-MOPGFXCFSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001438730817 1091269487 /nfs/dbraw/zinc/26/94/87/1091269487.db2.gz OXQFGEHCNUYSTM-JKSUJKDBSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445528884 1091298283 /nfs/dbraw/zinc/29/82/83/1091298283.db2.gz ISTGOHVVDLVSQR-NHYWBVRUSA-N 2 0 327.831 2.168 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001445545548 1091314566 /nfs/dbraw/zinc/31/45/66/1091314566.db2.gz HNPXOMFVQFOXFR-JCGIZDLHSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445588354 1091376590 /nfs/dbraw/zinc/37/65/90/1091376590.db2.gz HXNMTKPARXIKOT-VHSSKADRSA-N 2 0 333.451 2.392 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccccc1F ZINC001438790834 1091392115 /nfs/dbraw/zinc/39/21/15/1091392115.db2.gz PTCGVBOIRCMXPX-MSOLQXFVSA-N 2 0 335.467 2.193 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001445658876 1091447272 /nfs/dbraw/zinc/44/72/72/1091447272.db2.gz SMSDMVFQZVIHIG-QFBILLFUSA-N 2 0 347.503 2.410 10 0 EEAERP COc1cc(C[N@H+](C)CCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)ccc1C ZINC001438926625 1091600884 /nfs/dbraw/zinc/60/08/84/1091600884.db2.gz GDUDDIGSBMNOBP-SFHVURJKSA-N 2 0 347.503 2.236 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445762267 1091611261 /nfs/dbraw/zinc/61/12/61/1091611261.db2.gz XIVHBZLOVWUPIR-DNVCBOLYSA-N 2 0 347.478 2.412 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC(F)(F)F ZINC001445768938 1091626094 /nfs/dbraw/zinc/62/60/94/1091626094.db2.gz XCRGAQPAQPIVLM-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001438943781 1091630849 /nfs/dbraw/zinc/63/08/49/1091630849.db2.gz BIMZUGSTKNPNKO-AEFFLSMTSA-N 2 0 333.451 2.200 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)cc1F ZINC001445825038 1091709563 /nfs/dbraw/zinc/70/95/63/1091709563.db2.gz TXEQNLCOGCHEEA-GOEBONIOSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001439264621 1091919231 /nfs/dbraw/zinc/91/92/31/1091919231.db2.gz MYVOQSHCYQQKCH-INIZCTEOSA-N 2 0 335.467 2.460 10 0 EEAERP O=C(N[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001445991198 1091962615 /nfs/dbraw/zinc/96/26/15/1091962615.db2.gz ZNUHQWHMCFXJFD-RDJZCZTQSA-N 2 0 341.446 2.002 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001439329443 1092013525 /nfs/dbraw/zinc/01/35/25/1092013525.db2.gz ARVLAUZZVNCLOL-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001439333172 1092023009 /nfs/dbraw/zinc/02/30/09/1092023009.db2.gz MSAGCLSJKMFARQ-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP COc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001439397636 1092150504 /nfs/dbraw/zinc/15/05/04/1092150504.db2.gz IGDPNKRTOZXJAS-FUHWJXTLSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439405377 1092164751 /nfs/dbraw/zinc/16/47/51/1092164751.db2.gz GYOMSXMIHZRVOF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001439572880 1092464004 /nfs/dbraw/zinc/46/40/04/1092464004.db2.gz SZVHYLISFUEHAS-LJQANCHMSA-N 2 0 329.488 2.214 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439580215 1092477542 /nfs/dbraw/zinc/47/75/42/1092477542.db2.gz ZMGDHWVNGPQQQI-AZUAARDMSA-N 2 0 343.515 2.460 10 0 EEAERP CC(C)(C(=O)NCC1([NH2+]Cc2cccc(F)c2)CC1)[NH+]1CCCC1 ZINC001439635942 1092556911 /nfs/dbraw/zinc/55/69/11/1092556911.db2.gz UVRPEZULKIQDSQ-UHFFFAOYSA-N 2 0 333.451 2.439 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)c1cccc(F)c1 ZINC001439638811 1092561223 /nfs/dbraw/zinc/56/12/23/1092561223.db2.gz IAZFCCHDECHXCV-AWEZNQCLSA-N 2 0 333.451 2.467 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CCC[NH+]2CCCCC2)o1 ZINC001439789459 1092747229 /nfs/dbraw/zinc/74/72/29/1092747229.db2.gz YRHMBXLWWQNNJG-KRWDZBQOSA-N 2 0 348.491 2.330 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cncs2)C3)CCC1 ZINC001440098612 1093164064 /nfs/dbraw/zinc/16/40/64/1093164064.db2.gz MITKHTWOCXQGOY-ZNMIVQPWSA-N 2 0 348.516 2.097 10 0 EEAERP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001440203954 1093274580 /nfs/dbraw/zinc/27/45/80/1093274580.db2.gz RAMXCGMJDFIJJO-MSOLQXFVSA-N 2 0 348.491 2.197 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)CC2(C)C)CC1 ZINC001448389065 1093380093 /nfs/dbraw/zinc/38/00/93/1093380093.db2.gz OQQGUKDHUIZLLF-QGZVFWFLSA-N 2 0 347.478 2.494 10 0 EEAERP CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001440361697 1093525028 /nfs/dbraw/zinc/52/50/28/1093525028.db2.gz KFGLVAZOYWHVMA-RUCARUNLSA-N 2 0 329.488 2.329 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccccn2)CC[N@@H+]1C ZINC001440432499 1093634901 /nfs/dbraw/zinc/63/49/01/1093634901.db2.gz VNDKBKNXVQOUKX-ZWKOTPCHSA-N 2 0 332.492 2.092 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOc2ccccc2C)[C@@H]1C ZINC001440486908 1093721500 /nfs/dbraw/zinc/72/15/00/1093721500.db2.gz APRNJLQDLSFGDP-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cncs2)C1 ZINC001448714986 1093786858 /nfs/dbraw/zinc/78/68/58/1093786858.db2.gz ZCDFGVBLKPWPDZ-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP CCC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001440538942 1093804468 /nfs/dbraw/zinc/80/44/68/1093804468.db2.gz MLAPZKABTVEQLN-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001448764049 1093837053 /nfs/dbraw/zinc/83/70/53/1093837053.db2.gz OEHBXQNSJUBIQF-GUYCJALGSA-N 2 0 341.446 2.488 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)sc1C ZINC001448778280 1093856467 /nfs/dbraw/zinc/85/64/67/1093856467.db2.gz VMXDSFPKLPGWBH-WFASDCNBSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440649412 1093919789 /nfs/dbraw/zinc/91/97/89/1093919789.db2.gz OLWAKKKHFOEYBS-MAUKXSAKSA-N 2 0 349.523 2.193 10 0 EEAERP CCc1onc(C)c1C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001449009478 1094010148 /nfs/dbraw/zinc/01/01/48/1094010148.db2.gz JKVFBSWHQJKJQK-HKUYNNGSSA-N 2 0 348.491 2.110 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001440791787 1094032649 /nfs/dbraw/zinc/03/26/49/1094032649.db2.gz RJXUVBSYEPLPLZ-KBPBESRZSA-N 2 0 336.480 2.230 10 0 EEAERP CC(C)[NH2+][C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449026863 1094034152 /nfs/dbraw/zinc/03/41/52/1094034152.db2.gz IIIULBLUDQXTDW-OALUTQOASA-N 2 0 331.504 2.444 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC001449094322 1094105013 /nfs/dbraw/zinc/10/50/13/1094105013.db2.gz XIPLAYUNVYABJG-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC001449095406 1094105633 /nfs/dbraw/zinc/10/56/33/1094105633.db2.gz OQZVVDSHUBWOEC-MRXNPFEDSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001440997384 1094264924 /nfs/dbraw/zinc/26/49/24/1094264924.db2.gz SYDMKNPNEFOEKY-DLBZAZTESA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001441027117 1094314172 /nfs/dbraw/zinc/31/41/72/1094314172.db2.gz QMLUCZNCPRZJGM-KDOFPFPSSA-N 2 0 333.451 2.345 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2scnc2C)CC1(C)C ZINC001441251855 1094646629 /nfs/dbraw/zinc/64/66/29/1094646629.db2.gz BKLXBWHPDQGVFB-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001441340237 1094830837 /nfs/dbraw/zinc/83/08/37/1094830837.db2.gz MPLBTBPBSHQEEQ-FGTMMUONSA-N 2 0 339.499 2.439 10 0 EEAERP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441367372 1094895534 /nfs/dbraw/zinc/89/55/34/1094895534.db2.gz VMMQPVWBVOEZJG-BRSBDYLESA-N 2 0 339.524 2.016 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2cnc(C)cn2)CC1 ZINC001441394240 1094958520 /nfs/dbraw/zinc/95/85/20/1094958520.db2.gz OFHIICVRLKKHBY-MRXNPFEDSA-N 2 0 347.507 2.111 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001441539574 1095256417 /nfs/dbraw/zinc/25/64/17/1095256417.db2.gz HAUKWENQTVCLAV-FGTMMUONSA-N 2 0 337.508 2.058 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC001441557631 1095301249 /nfs/dbraw/zinc/30/12/49/1095301249.db2.gz WLUIUVFHZGLVJL-RBUKOAKNSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001441577818 1095372042 /nfs/dbraw/zinc/37/20/42/1095372042.db2.gz GQDBDLKXSMYIRF-SJLPKXTDSA-N 2 0 344.503 2.060 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001441605747 1095458761 /nfs/dbraw/zinc/45/87/61/1095458761.db2.gz JNQTVKAENDXJRF-GOSISDBHSA-N 2 0 343.515 2.455 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001441621830 1095492471 /nfs/dbraw/zinc/49/24/71/1095492471.db2.gz OQJZKJAXJKLVJB-HNNXBMFYSA-N 2 0 348.491 2.220 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC001441658545 1095624268 /nfs/dbraw/zinc/62/42/68/1095624268.db2.gz OCDWZXRIBMUDBU-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001441861504 1095964624 /nfs/dbraw/zinc/96/46/24/1095964624.db2.gz LSPZCMFMJKTMEZ-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cncs2)CC3)CC1 ZINC001441876224 1095997808 /nfs/dbraw/zinc/99/78/08/1095997808.db2.gz PUFLROKUUWYRQO-CRAIPNDOSA-N 2 0 348.516 2.098 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](Cc2cccnc2C)CC1)[NH+](C)C ZINC001442204549 1096488061 /nfs/dbraw/zinc/48/80/61/1096488061.db2.gz NQNXNFLUOCBWHR-VQIMIIECSA-N 2 0 346.519 2.447 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC001442213419 1096504475 /nfs/dbraw/zinc/50/44/75/1096504475.db2.gz MFXDQQXTOVUIFH-GJZGRUSLSA-N 2 0 331.451 2.296 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001442222204 1096518440 /nfs/dbraw/zinc/51/84/40/1096518440.db2.gz UJYVJRKPBWWHJZ-KGLIPLIRSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001442228562 1096527172 /nfs/dbraw/zinc/52/71/72/1096527172.db2.gz XRRAHDUMBKXMTM-KBPBESRZSA-N 2 0 337.430 2.352 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001442249315 1096550126 /nfs/dbraw/zinc/55/01/26/1096550126.db2.gz BWEMYCUAMFSXSR-MAUKXSAKSA-N 2 0 347.478 2.460 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001442337331 1096658683 /nfs/dbraw/zinc/65/86/83/1096658683.db2.gz RKXHPSQVZJDCLJ-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccc(C2CC2)cc1 ZINC001442399013 1096719783 /nfs/dbraw/zinc/71/97/83/1096719783.db2.gz BWAZEOXJAOQJCU-FQEVSTJZSA-N 2 0 341.499 2.454 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)[C@@H]1CCc2c1cc(F)cc2F ZINC001442582986 1096948700 /nfs/dbraw/zinc/94/87/00/1096948700.db2.gz WJBQBMHIWLIKAO-QGZVFWFLSA-N 2 0 339.430 2.342 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(F)c(F)c1 ZINC001442755260 1097131356 /nfs/dbraw/zinc/13/13/56/1097131356.db2.gz ZIRZPJNOCHNJAE-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCC1CCOCC1 ZINC001443919969 1098440781 /nfs/dbraw/zinc/44/07/81/1098440781.db2.gz SCGUMHCNYKYWOG-MSOLQXFVSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001443956534 1098476556 /nfs/dbraw/zinc/47/65/56/1098476556.db2.gz AISKMCLGZPOYJL-AAEUAGOBSA-N 2 0 344.912 2.265 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001444032312 1098551432 /nfs/dbraw/zinc/55/14/32/1098551432.db2.gz JAGWKUKOWONIRY-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@](C[NH2+]Cc1cc(C2CC2)no1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001444141411 1098680265 /nfs/dbraw/zinc/68/02/65/1098680265.db2.gz OPNQXKSHPHEXQE-LJQANCHMSA-N 2 0 346.475 2.022 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001444375683 1098951878 /nfs/dbraw/zinc/95/18/78/1098951878.db2.gz NQKSUAQKCMPJFB-ZDUSSCGKSA-N 2 0 340.537 2.271 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC001479778165 1098960348 /nfs/dbraw/zinc/96/03/48/1098960348.db2.gz OLPVMACGTVFYPI-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2cc(C)no2)C1 ZINC001479792215 1098999105 /nfs/dbraw/zinc/99/91/05/1098999105.db2.gz YMRCLVQGVYSXOS-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001479830201 1099111304 /nfs/dbraw/zinc/11/13/04/1099111304.db2.gz PIWYJISSAVNTAH-PBHICJAKSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC001479956850 1099392883 /nfs/dbraw/zinc/39/28/83/1099392883.db2.gz ZZEIGDRHOHYVNG-IEBWSBKVSA-N 2 0 345.487 2.130 10 0 EEAERP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CCOC)CC1 ZINC001479993049 1099456500 /nfs/dbraw/zinc/45/65/00/1099456500.db2.gz HWQKNPQVYFBLKF-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC=C(Cl)Cl)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001480020623 1099498834 /nfs/dbraw/zinc/49/88/34/1099498834.db2.gz JTUAGRIDJBAYSV-ZIAGYGMSSA-N 2 0 346.302 2.132 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001480051018 1099560882 /nfs/dbraw/zinc/56/08/82/1099560882.db2.gz MZBGEXJNYSHDKJ-MOPGFXCFSA-N 2 0 344.503 2.329 10 0 EEAERP Cc1ccncc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085846 1099639900 /nfs/dbraw/zinc/63/99/00/1099639900.db2.gz VDMUKDDBWYBKIP-KRWDZBQOSA-N 2 0 332.492 2.012 10 0 EEAERP COCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480187094 1099780974 /nfs/dbraw/zinc/78/09/74/1099780974.db2.gz BFUZBYOJRVXELM-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCC(F)(F)F)C2)CCC1 ZINC001480208205 1099815073 /nfs/dbraw/zinc/81/50/73/1099815073.db2.gz QVEPCSFKBQWCOV-BETUJISGSA-N 2 0 335.414 2.440 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480219673 1099837856 /nfs/dbraw/zinc/83/78/56/1099837856.db2.gz IBNHHYCSRJRBLK-CUSZFKRNSA-N 2 0 337.508 2.055 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CCF ZINC001444906442 1099971392 /nfs/dbraw/zinc/97/13/92/1099971392.db2.gz DRJRYSGKBWKHHR-FGTMMUONSA-N 2 0 335.467 2.032 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001480303202 1100021575 /nfs/dbraw/zinc/02/15/75/1100021575.db2.gz QLIKKDNTDRJDNI-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001445148259 1100407492 /nfs/dbraw/zinc/40/74/92/1100407492.db2.gz XCIKDRBSZXJHKN-ROUUACIJSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001480571790 1100415423 /nfs/dbraw/zinc/41/54/23/1100415423.db2.gz MERPJDBWYQLIDY-IEBWSBKVSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1Cl ZINC001480589772 1100439373 /nfs/dbraw/zinc/43/93/73/1100439373.db2.gz CDGCQTZZPPMKLK-NWDGAFQWSA-N 2 0 327.831 2.025 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001495137492 1100808451 /nfs/dbraw/zinc/80/84/51/1100808451.db2.gz LLPHDUMIRYJPPT-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2csc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001446443667 1100864702 /nfs/dbraw/zinc/86/47/02/1100864702.db2.gz NHSBMNUJQGPJOH-VXGBXAGGSA-N 2 0 344.912 2.217 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@H]1CCCOC1)C1CCCCC1 ZINC001496321206 1100914347 /nfs/dbraw/zinc/91/43/47/1100914347.db2.gz UEBXJPYWBNOFKF-SJLPKXTDSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@](C[NH2+]CC1CCCC1)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495248177 1100943578 /nfs/dbraw/zinc/94/35/78/1100943578.db2.gz HMJOZRZGXJOZIH-AZUAARDMSA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCF)CC[N@@H+]1C ZINC001496396606 1100989174 /nfs/dbraw/zinc/98/91/74/1100989174.db2.gz QKEYFGTZGCPIGL-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)oc1C ZINC001496416997 1101011050 /nfs/dbraw/zinc/01/10/50/1101011050.db2.gz YBTFHDBLGNOQLC-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001496430406 1101021886 /nfs/dbraw/zinc/02/18/86/1101021886.db2.gz SWNCSXWPMXEMKK-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CCC[NH+](C)C)o1 ZINC001496476691 1101067524 /nfs/dbraw/zinc/06/75/24/1101067524.db2.gz BXVODGRCNYHRMR-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001495374266 1101089253 /nfs/dbraw/zinc/08/92/53/1101089253.db2.gz OIYSXDDTMHCWHQ-IAGOWNOFSA-N 2 0 327.488 2.296 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001495383972 1101103501 /nfs/dbraw/zinc/10/35/01/1101103501.db2.gz ALVVXZWNYXYPSB-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(CCc1c[nH]cn1)N1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC001495415946 1101135411 /nfs/dbraw/zinc/13/54/11/1101135411.db2.gz OPCJHXKMBNDIMT-UHFFFAOYSA-N 2 0 341.459 2.156 10 0 EEAERP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001495466284 1101176933 /nfs/dbraw/zinc/17/69/33/1101176933.db2.gz UPMRKRSQPSQRLL-BRWVUGGUSA-N 2 0 339.524 2.039 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001495527671 1101243084 /nfs/dbraw/zinc/24/30/84/1101243084.db2.gz YDUOTGNQUKRKIB-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446717189 1101284942 /nfs/dbraw/zinc/28/49/42/1101284942.db2.gz JNHNGQWDPWRJHR-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CC[C@H]1CCOC1 ZINC001495667369 1101409583 /nfs/dbraw/zinc/40/95/83/1101409583.db2.gz QKZOAFJRMHRBAN-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496063223 1101997566 /nfs/dbraw/zinc/99/75/66/1101997566.db2.gz ZZZPQUGDVXJKMN-WOSRLPQWSA-N 2 0 339.430 2.242 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001497206639 1102126808 /nfs/dbraw/zinc/12/68/08/1102126808.db2.gz VOEOGVDPTCGYCY-HNNXBMFYSA-N 2 0 332.492 2.167 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@H]2CCCC(F)(F)C2)CCC1 ZINC001447230548 1102247219 /nfs/dbraw/zinc/24/72/19/1102247219.db2.gz PXFWDAKQFYPDPS-AWEZNQCLSA-N 2 0 331.451 2.392 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)o1 ZINC001497299842 1102278690 /nfs/dbraw/zinc/27/86/90/1102278690.db2.gz VCLIURNQUYCZNO-CQSZACIVSA-N 2 0 336.480 2.008 10 0 EEAERP CCCc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001497309198 1102293293 /nfs/dbraw/zinc/29/32/93/1102293293.db2.gz XPBUYYIAVBDFLR-AWEZNQCLSA-N 2 0 348.491 2.016 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@H](C)F)CCC2)CC1 ZINC001447255167 1102310385 /nfs/dbraw/zinc/31/03/85/1102310385.db2.gz HDBUMSKNIIZFHF-HNNXBMFYSA-N 2 0 327.488 2.483 10 0 EEAERP COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001447310940 1102427389 /nfs/dbraw/zinc/42/73/89/1102427389.db2.gz QTYDJECRPPAUII-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001497579137 1102693501 /nfs/dbraw/zinc/69/35/01/1102693501.db2.gz LPLVJPDRLGDDFE-YADGQWAMSA-N 2 0 341.499 2.407 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)s1 ZINC001497599629 1102729113 /nfs/dbraw/zinc/72/91/13/1102729113.db2.gz XHXOTKUDQDYGRK-WAYWQWQTSA-N 2 0 336.505 2.006 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001497661265 1102847331 /nfs/dbraw/zinc/84/73/31/1102847331.db2.gz OFISLQSZFUIYEQ-XFHJGTJQSA-N 2 0 327.472 2.278 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001447564578 1102872272 /nfs/dbraw/zinc/87/22/72/1102872272.db2.gz KTFSWMHVIJPFSL-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001497731160 1102980568 /nfs/dbraw/zinc/98/05/68/1102980568.db2.gz NJJFHSGQYUSZAR-HMECNJMJSA-N 2 0 329.488 2.407 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001497825003 1103153957 /nfs/dbraw/zinc/15/39/57/1103153957.db2.gz GKERLSSQQTUDJH-CRAIPNDOSA-N 2 0 332.492 2.167 10 0 EEAERP C[C@H](C[NH2+]C[C@@H](O)c1ccccc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497926995 1103349603 /nfs/dbraw/zinc/34/96/03/1103349603.db2.gz QTKBQTXJONWLQX-ZHALLVOQSA-N 2 0 347.503 2.079 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC001447908420 1103569779 /nfs/dbraw/zinc/56/97/79/1103569779.db2.gz AYAITKVGGIXJHW-RYUDHWBXSA-N 2 0 326.510 2.085 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001447929523 1103622031 /nfs/dbraw/zinc/62/20/31/1103622031.db2.gz GAAQZKDOLFMRCT-HUUCEWRRSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001494324744 1103894826 /nfs/dbraw/zinc/89/48/26/1103894826.db2.gz FCXLSAPOFSGGEC-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001448211801 1104183519 /nfs/dbraw/zinc/18/35/19/1104183519.db2.gz QYJRVFGXXPROKY-IRXDYDNUSA-N 2 0 336.480 2.122 10 0 EEAERP COCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001448284139 1104318373 /nfs/dbraw/zinc/31/83/73/1104318373.db2.gz STGUVYLEWIFFKA-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001497983953 1106737011 /nfs/dbraw/zinc/73/70/11/1106737011.db2.gz SZMNPDXJWBZXNL-LDHWIHMBSA-N 2 0 345.487 2.145 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001480814097 1107165949 /nfs/dbraw/zinc/16/59/49/1107165949.db2.gz SXGYZFVIRDRSRY-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP CCc1cccc(C[N@H+](CC)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001493043348 1107377012 /nfs/dbraw/zinc/37/70/12/1107377012.db2.gz PHSVCIJQNBDIMD-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CCF ZINC001498505347 1107649359 /nfs/dbraw/zinc/64/93/59/1107649359.db2.gz RNTLULINRVVLGH-DLBZAZTESA-N 2 0 327.488 2.487 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498550621 1107705394 /nfs/dbraw/zinc/70/53/94/1107705394.db2.gz VZZHWRRVRHUUFQ-HUUCEWRRSA-N 2 0 336.480 2.076 10 0 EEAERP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001498570326 1107738353 /nfs/dbraw/zinc/73/83/53/1107738353.db2.gz UXJBXWMWDYRRCB-ACCUITESSA-N 2 0 334.291 2.372 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001493263309 1107807552 /nfs/dbraw/zinc/80/75/52/1107807552.db2.gz LBXFWWVCBMXGMH-CVEARBPZSA-N 2 0 343.462 2.346 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001498643514 1107878558 /nfs/dbraw/zinc/87/85/58/1107878558.db2.gz AMMKGQGCHZIPLM-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP O=C(NCC[N@H+](CC[C@@H]1CCCCO1)C1CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001493442093 1108163830 /nfs/dbraw/zinc/16/38/30/1108163830.db2.gz BSJJLHSFXLMFMK-ICSRJNTNSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001498864936 1108243685 /nfs/dbraw/zinc/24/36/85/1108243685.db2.gz UXVUCOJNOCXGKF-UXHICEINSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ncccn2)CC1 ZINC001493850401 1108734159 /nfs/dbraw/zinc/73/41/59/1108734159.db2.gz QDZKKZQSIMRRKN-HOTGVXAUSA-N 2 0 347.507 2.095 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001456039319 1109058643 /nfs/dbraw/zinc/05/86/43/1109058643.db2.gz AUAKXVPCWHMKJC-MSOLQXFVSA-N 2 0 327.472 2.109 10 0 EEAERP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001470638285 1110509240 /nfs/dbraw/zinc/50/92/40/1110509240.db2.gz FDOSPCXLAWBUSF-GOSISDBHSA-N 2 0 345.462 2.043 10 0 EEAERP COc1ccc(CC[N@@H+]2CC[C@H]2CN(C)C(=O)C[NH+](C)C(C)C)cc1 ZINC001479272247 1110673465 /nfs/dbraw/zinc/67/34/65/1110673465.db2.gz ZIIVXPFZKURUIS-SFHVURJKSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479394163 1110690889 /nfs/dbraw/zinc/69/08/89/1110690889.db2.gz YOBISCQJXKUGGU-SHTZXODSSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)sn1 ZINC001499264416 1112207463 /nfs/dbraw/zinc/20/74/63/1112207463.db2.gz YGVAQXYXRMGZNA-GDBMZVCRSA-N 2 0 348.516 2.207 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC001499421746 1112278803 /nfs/dbraw/zinc/27/88/03/1112278803.db2.gz PMZBQBOBZYHJIG-WBVHZDCISA-N 2 0 348.466 2.080 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(Cc2ccon2)C1 ZINC001499480919 1112312468 /nfs/dbraw/zinc/31/24/68/1112312468.db2.gz KFMRQBPLODXJCZ-AEFFLSMTSA-N 2 0 348.491 2.219 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCCF)C1 ZINC001499482687 1112315160 /nfs/dbraw/zinc/31/51/60/1112315160.db2.gz XFEAYAWFZSJLRJ-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)sn1 ZINC001499945396 1112551278 /nfs/dbraw/zinc/55/12/78/1112551278.db2.gz VTUMRBFCWNZKCN-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001500162849 1112648567 /nfs/dbraw/zinc/64/85/67/1112648567.db2.gz RXGYKGZIQOYKGU-SFHVURJKSA-N 2 0 327.488 2.392 10 0 EEAERP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001500617016 1112979587 /nfs/dbraw/zinc/97/95/87/1112979587.db2.gz OHLFXIFFJGIBPQ-OAHLLOKOSA-N 2 0 331.451 2.346 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C/Cl)C3)CCC1 ZINC001501006324 1113163789 /nfs/dbraw/zinc/16/37/89/1113163789.db2.gz SNMVOLTUSFGJRG-XWHQDECPSA-N 2 0 325.884 2.192 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001501147644 1113215216 /nfs/dbraw/zinc/21/52/16/1113215216.db2.gz ZKMQYIVXJNIMHL-HOCLYGCPSA-N 2 0 345.478 2.448 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001501219201 1113248240 /nfs/dbraw/zinc/24/82/40/1113248240.db2.gz CSHXUWZVWMDFET-XBMSPAHDSA-N 2 0 331.504 2.075 10 0 EEAERP Cc1ccc(C[N@H+]2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c(C)n1 ZINC001501422453 1113354221 /nfs/dbraw/zinc/35/42/21/1113354221.db2.gz QCIAQXSRVFEXFR-RBUKOAKNSA-N 2 0 344.503 2.073 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3conc3C)C2)CC[N@@H+]1C ZINC001501568623 1113385638 /nfs/dbraw/zinc/38/56/38/1113385638.db2.gz NRHUYCDUAAFWKK-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)C1CCC1 ZINC001501579047 1113389656 /nfs/dbraw/zinc/38/96/56/1113389656.db2.gz WONGLSZVJRYNFY-CQSZACIVSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001501604789 1113397163 /nfs/dbraw/zinc/39/71/63/1113397163.db2.gz YLRPVKDLVHVIHK-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001501640964 1113411521 /nfs/dbraw/zinc/41/15/21/1113411521.db2.gz NHXYNBHODJISMQ-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001502006812 1113555549 /nfs/dbraw/zinc/55/55/49/1113555549.db2.gz HCUKLFBLVBCBHV-INIZCTEOSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1c(C(=O)N(C)CCC[N@H+](C)C[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001502350241 1113639712 /nfs/dbraw/zinc/63/97/12/1113639712.db2.gz UVFZEPUVTLCPHI-MRXNPFEDSA-N 2 0 344.459 2.073 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC001502805851 1113806351 /nfs/dbraw/zinc/80/63/51/1113806351.db2.gz XEOBURRMESAYJE-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+]3CCCC3)CC2)o1 ZINC001502810602 1113807573 /nfs/dbraw/zinc/80/75/73/1113807573.db2.gz ALSNKYXAAJSPEG-UHFFFAOYSA-N 2 0 348.491 2.330 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001503208383 1113880808 /nfs/dbraw/zinc/88/08/08/1113880808.db2.gz ZQICWKUYMIKVID-GZBFAFLISA-N 2 0 338.883 2.060 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)CCOC)c1ccccc1 ZINC001505455457 1113989415 /nfs/dbraw/zinc/98/94/15/1113989415.db2.gz BAKHAJJKFRJZAD-RTBURBONSA-N 2 0 347.503 2.249 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]Cc2cncc(F)c2)C1 ZINC001505537686 1114039339 /nfs/dbraw/zinc/03/93/39/1114039339.db2.gz ITHOBRHEUKVPJW-UHFFFAOYSA-N 2 0 348.466 2.081 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccccn2)CC1 ZINC001505725779 1114153629 /nfs/dbraw/zinc/15/36/29/1114153629.db2.gz XMHDXBOMCWBSLS-CVEARBPZSA-N 2 0 332.492 2.185 10 0 EEAERP COCC[NH2+][C@@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001506384117 1114588286 /nfs/dbraw/zinc/58/82/86/1114588286.db2.gz VCTGUMZWARPJQM-SFHVURJKSA-N 2 0 346.475 2.365 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCCCCF)C3)CC1 ZINC001506864407 1114931904 /nfs/dbraw/zinc/93/19/04/1114931904.db2.gz DMWDRMCWUCDVEI-UHFFFAOYSA-N 2 0 339.499 2.392 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cncs2)CC[N@@H+]1C ZINC001506922396 1114975766 /nfs/dbraw/zinc/97/57/66/1114975766.db2.gz MSGLOCRTFJDALA-CWRNSKLLSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001506923765 1114976743 /nfs/dbraw/zinc/97/67/43/1114976743.db2.gz RWPOTQLGSYJVJD-BBRMVZONSA-N 2 0 343.462 2.248 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001507331690 1115196794 /nfs/dbraw/zinc/19/67/94/1115196794.db2.gz QOQMRIVLONEJDT-ZWKOTPCHSA-N 2 0 345.487 2.049 10 0 EEAERP CN(C)c1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001507412262 1115257125 /nfs/dbraw/zinc/25/71/25/1115257125.db2.gz VFCJSELIUCRXQZ-ZWKOTPCHSA-N 2 0 346.519 2.079 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001507963999 1115381845 /nfs/dbraw/zinc/38/18/45/1115381845.db2.gz VBAVESGTHQCQBM-ZIAGYGMSSA-N 2 0 338.521 2.248 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](Cc2conc2C)CC1 ZINC001508066711 1115409493 /nfs/dbraw/zinc/40/94/93/1115409493.db2.gz UNQNOEVHLVIVGS-CQSZACIVSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001508186218 1115436994 /nfs/dbraw/zinc/43/69/94/1115436994.db2.gz BEEYZGHUWYOYDK-MJGOQNOKSA-N 2 0 347.503 2.072 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](C[C@H]3CC(C)(C)CO3)CC2)CCC1 ZINC001508206838 1115445003 /nfs/dbraw/zinc/44/50/03/1115445003.db2.gz QHVTYHNHYCTINM-QGZVFWFLSA-N 2 0 349.519 2.034 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568386851 1124457429 /nfs/dbraw/zinc/45/74/29/1124457429.db2.gz LNADSTRYYWXLEF-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001568533698 1124596801 /nfs/dbraw/zinc/59/68/01/1124596801.db2.gz VDJKNNNFHRHUCG-SJLPKXTDSA-N 2 0 335.467 2.248 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001568630389 1124644755 /nfs/dbraw/zinc/64/47/55/1124644755.db2.gz BMNKLMSFEYKMBB-WMLDXEAASA-N 2 0 348.491 2.409 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)c(C)s1 ZINC001568640504 1124654074 /nfs/dbraw/zinc/65/40/74/1124654074.db2.gz MIKGIFITPFLUHV-LBPRGKRZSA-N 2 0 338.521 2.229 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cc(C)no2)C1 ZINC001568669572 1124684320 /nfs/dbraw/zinc/68/43/20/1124684320.db2.gz SMOIVQGJDVZIKA-ZBFHGGJFSA-N 2 0 336.480 2.089 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173748988 231023126 /nfs/dbraw/zinc/02/31/26/231023126.db2.gz RCIVEWNNIYJMQN-CQSZACIVSA-N 2 0 327.428 2.415 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000103608584 219316993 /nfs/dbraw/zinc/31/69/93/219316993.db2.gz JWPHVJTUMACXOG-IBGZPJMESA-N 2 0 346.519 2.143 10 0 EEAERP CC(C)(C)NNc1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040760854 213384627 /nfs/dbraw/zinc/38/46/27/213384627.db2.gz BYRGIEUZBVLEBY-UHFFFAOYSA-N 2 0 335.500 2.495 10 0 EEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)c(Br)c2)CC1 ZINC000038052080 213197965 /nfs/dbraw/zinc/19/79/65/213197965.db2.gz XCJQUKXLDXYMKV-CQSZACIVSA-N 2 0 342.281 2.095 10 0 EEAERP Fc1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000422820343 240246341 /nfs/dbraw/zinc/24/63/41/240246341.db2.gz PZMWKAINRJSERB-VNQPRFMTSA-N 2 0 326.387 2.090 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423043815 240341038 /nfs/dbraw/zinc/34/10/38/240341038.db2.gz QARJOOORKUIWAJ-STQMWFEESA-N 2 0 329.847 2.401 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426367991 241265893 /nfs/dbraw/zinc/26/58/93/241265893.db2.gz ZRNQNRONJIMPNB-UHFFFAOYSA-N 2 0 346.519 2.484 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000447040970 242242624 /nfs/dbraw/zinc/24/26/24/242242624.db2.gz WRONNAROOUZWDT-QAPCUYQASA-N 2 0 336.524 2.233 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230136332 242237376 /nfs/dbraw/zinc/23/73/76/242237376.db2.gz GMKIHDQVUOEMGF-RCCFBDPRSA-N 2 0 329.488 2.259 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCC[C@H]1OC ZINC000339655149 285248472 /nfs/dbraw/zinc/24/84/72/285248472.db2.gz KBYFUAYFEPRKSC-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](C)[NH+]1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000055073594 132194027 /nfs/dbraw/zinc/19/40/27/132194027.db2.gz UCVFJDPAJHWESN-NSHDSACASA-N 2 0 327.270 2.223 10 0 EEAERP CCn1cc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000191468769 152257088 /nfs/dbraw/zinc/25/70/88/152257088.db2.gz SCBFCKLPRSXHGR-UHFFFAOYSA-N 2 0 347.551 2.499 10 0 EEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248900589 160367531 /nfs/dbraw/zinc/36/75/31/160367531.db2.gz ACCZTOZDAFUZRZ-RTBURBONSA-N 2 0 346.519 2.489 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194191620 160190957 /nfs/dbraw/zinc/19/09/57/160190957.db2.gz PJVXLOYZEGBLKQ-SFHVURJKSA-N 2 0 338.540 2.480 10 0 EEAERP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195336812 160211221 /nfs/dbraw/zinc/21/12/21/160211221.db2.gz NSTSCAKWDRMEIT-RBUKOAKNSA-N 2 0 327.472 2.205 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000245474134 160238566 /nfs/dbraw/zinc/23/85/66/160238566.db2.gz QQXWVQWKWPRITC-MOPGFXCFSA-N 2 0 346.519 2.285 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000246445579 160279013 /nfs/dbraw/zinc/27/90/13/160279013.db2.gz NVJBXJWWTPPHRS-AJYUKVHDSA-N 2 0 336.524 2.373 10 0 EEAERP C(CCCN1CC[N@@H+]2CCC[C@H]2C1)CCN1CC[NH+]2CCC[C@H]2C1 ZINC000246988482 160304842 /nfs/dbraw/zinc/30/48/42/160304842.db2.gz MKPCUDOBGTVCEK-PMACEKPBSA-N 2 0 334.552 2.107 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000247224906 160314863 /nfs/dbraw/zinc/31/48/63/160314863.db2.gz NJOZHYXBKKPTHQ-PBHICJAKSA-N 2 0 348.466 2.265 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CC2 ZINC000247985156 160335952 /nfs/dbraw/zinc/33/59/52/160335952.db2.gz IDYFZAPBQUUFJN-HCXYKTFWSA-N 2 0 342.487 2.310 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000339623125 160855572 /nfs/dbraw/zinc/85/55/72/160855572.db2.gz WVYWRNAFSSANFO-MOPGFXCFSA-N 2 0 346.519 2.458 10 0 EEAERP CC(C)C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(=O)NCC[NH+](C)C ZINC000344931245 161257073 /nfs/dbraw/zinc/25/70/73/161257073.db2.gz QCROVXZFOPMTMA-OTWHNJEPSA-N 2 0 331.504 2.472 10 0 EEAERP CC(C)c1ccc(CCNC(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000367851800 166011536 /nfs/dbraw/zinc/01/15/36/166011536.db2.gz WPOHBAOTGAXVCK-OAQYLSRUSA-N 2 0 343.515 2.496 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000365035530 165357533 /nfs/dbraw/zinc/35/75/33/165357533.db2.gz FEQMSIBLECZZTG-CEXWTWQISA-N 2 0 329.488 2.185 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000369547526 166283815 /nfs/dbraw/zinc/28/38/15/166283815.db2.gz BOLOZTNOHOWQRP-OFLPRAFFSA-N 2 0 336.524 2.423 10 0 EEAERP CN1CCC(CNC(=O)c2cc(C3CC3)no2)([NH+]2CCCCC2)CC1 ZINC000375627358 167170575 /nfs/dbraw/zinc/17/05/75/167170575.db2.gz XZZNJHXRNGPCBR-UHFFFAOYSA-N 2 0 346.475 2.232 10 0 EEAERP Fc1ccc(-n2nccc2C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000279875281 269312705 /nfs/dbraw/zinc/31/27/05/269312705.db2.gz JWNYAEHYWYYHMR-UHFFFAOYSA-N 2 0 332.423 2.213 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000340143362 277167445 /nfs/dbraw/zinc/16/74/45/277167445.db2.gz CRMFXWCLKZBHSF-XWSJACJDSA-N 2 0 342.487 2.358 10 0 EEAERP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297440731 294244731 /nfs/dbraw/zinc/24/47/31/294244731.db2.gz GGOBTJGKLSGTIF-CQSZACIVSA-N 2 0 348.406 2.499 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)CC3(C[NH3+])CC3)CC[N@@H+]2C2CC2)c1 ZINC000423811569 295330367 /nfs/dbraw/zinc/33/03/67/295330367.db2.gz CAVQQJQBVDIDAT-HKUYNNGSSA-N 2 0 343.471 2.218 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000333230502 312115846 /nfs/dbraw/zinc/11/58/46/312115846.db2.gz BWLRWTQJQVDJNZ-UHFFFAOYSA-N 2 0 334.439 2.466 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333670354 312180779 /nfs/dbraw/zinc/18/07/79/312180779.db2.gz YEXYCZMPOXTWGC-QGBMMCOCSA-N 2 0 348.535 2.168 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414728596 313070298 /nfs/dbraw/zinc/07/02/98/313070298.db2.gz CJHBBRDGLYQCEU-HZPDHXFCSA-N 2 0 345.491 2.091 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764115 313080426 /nfs/dbraw/zinc/08/04/26/313080426.db2.gz NYBMLRZPSDSTEV-KGLIPLIRSA-N 2 0 347.425 2.238 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416838880 313330875 /nfs/dbraw/zinc/33/08/75/313330875.db2.gz JJADVVLKUCSUBG-HOTGVXAUSA-N 2 0 348.516 2.421 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000416843819 313332959 /nfs/dbraw/zinc/33/29/59/313332959.db2.gz PJSSMLQMWURXBI-RBUKOAKNSA-N 2 0 340.471 2.159 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000416847284 313335184 /nfs/dbraw/zinc/33/51/84/313335184.db2.gz VFXAPXQAMWVVQU-RBUKOAKNSA-N 2 0 344.503 2.388 10 0 EEAERP [NH3+]C1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000416892074 313351464 /nfs/dbraw/zinc/35/14/64/313351464.db2.gz KMKSNXQSPYRKJP-UHFFFAOYSA-N 2 0 330.476 2.352 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416907947 313357030 /nfs/dbraw/zinc/35/70/30/313357030.db2.gz VJXNXTNYPWSUJO-OALUTQOASA-N 2 0 342.487 2.176 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418425599 313810293 /nfs/dbraw/zinc/81/02/93/313810293.db2.gz ILJJGQNIQVUFFN-IBGZPJMESA-N 2 0 340.471 2.460 10 0 EEAERP Cc1cncn1CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000528266257 317348403 /nfs/dbraw/zinc/34/84/03/317348403.db2.gz ITDAMKPTINOGKH-SFHVURJKSA-N 2 0 326.444 2.362 10 0 EEAERP CN(CCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cc[nH+]cc1 ZINC000541855803 318112010 /nfs/dbraw/zinc/11/20/10/318112010.db2.gz CPEGTZMACYBPIP-GOSISDBHSA-N 2 0 340.471 2.197 10 0 EEAERP CCn1c2ccccc2nc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000545313212 318216571 /nfs/dbraw/zinc/21/65/71/318216571.db2.gz UWUKDDMIWNGSJV-MRXNPFEDSA-N 2 0 329.492 2.172 10 0 EEAERP COCC[NH2+]C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000569113807 319548042 /nfs/dbraw/zinc/54/80/42/319548042.db2.gz VXMFFVQCRGJFCV-UHFFFAOYSA-N 2 0 345.487 2.123 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000569557921 319587650 /nfs/dbraw/zinc/58/76/50/319587650.db2.gz AHZZLWFYLYAQMO-CRAIPNDOSA-N 2 0 330.476 2.080 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000573464906 319937752 /nfs/dbraw/zinc/93/77/52/319937752.db2.gz AVYJOLSIPNIDSG-FOIQADDNSA-N 2 0 329.488 2.286 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)COCc1ccccc1Cl ZINC000574806210 320058789 /nfs/dbraw/zinc/05/87/89/320058789.db2.gz VTKDPPPCFWETQP-ZIAGYGMSSA-N 2 0 335.835 2.088 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000575354394 320102913 /nfs/dbraw/zinc/10/29/13/320102913.db2.gz MATJXLKVVQHRIN-KPFFTGBYSA-N 2 0 344.503 2.420 10 0 EEAERP [NH3+]C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000576134045 320144449 /nfs/dbraw/zinc/14/44/49/320144449.db2.gz DRIFYEULRXYMMT-AYHJJNSGSA-N 2 0 342.487 2.363 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000576688937 320195094 /nfs/dbraw/zinc/19/50/94/320195094.db2.gz XJKDBCWLSGYKEH-YJBOKZPZSA-N 2 0 330.476 2.476 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccccc1 ZINC000578306563 320305945 /nfs/dbraw/zinc/30/59/45/320305945.db2.gz UTGIIRAQNPQYLH-SJORKVTESA-N 2 0 330.476 2.393 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000578885128 323729537 /nfs/dbraw/zinc/72/95/37/323729537.db2.gz GKCAYIJMSVVNPB-ACBHZAAOSA-N 2 0 345.487 2.226 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339251186 465167907 /nfs/dbraw/zinc/16/79/07/465167907.db2.gz CJLHPRDYMMZKLP-UHFFFAOYSA-N 2 0 340.471 2.347 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000339288630 465189724 /nfs/dbraw/zinc/18/97/24/465189724.db2.gz YVIAXLCCQVSXOX-UHFFFAOYSA-N 2 0 344.434 2.274 10 0 EEAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000113620668 462607865 /nfs/dbraw/zinc/60/78/65/462607865.db2.gz ZVSIVRHTNOIUTN-ZIFCJYIRSA-N 2 0 344.503 2.385 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCSC2)CC1 ZINC000088738912 462642512 /nfs/dbraw/zinc/64/25/12/462642512.db2.gz NZPMOKQWXMWZMG-LJQANCHMSA-N 2 0 349.544 2.176 10 0 EEAERP COc1ccc(C[C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132364757 462852559 /nfs/dbraw/zinc/85/25/59/462852559.db2.gz XSYUKWFZESDWNK-FXAWDEMLSA-N 2 0 333.520 2.488 10 0 EEAERP CC[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000150739355 463417968 /nfs/dbraw/zinc/41/79/68/463417968.db2.gz TZWSQBGMFVQWPN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)[NH+]2CCCC2)o1 ZINC000170687567 463695653 /nfs/dbraw/zinc/69/56/53/463695653.db2.gz FFUAZWPPXURLNQ-HOTGVXAUSA-N 2 0 334.464 2.118 10 0 EEAERP CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(-n2ccnc2)cs1 ZINC000579553994 468373262 /nfs/dbraw/zinc/37/32/62/468373262.db2.gz QGXFEFIXOLCJIY-CYBMUJFWSA-N 2 0 339.486 2.333 10 0 EEAERP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccc1OC ZINC000261917186 463898820 /nfs/dbraw/zinc/89/88/20/463898820.db2.gz JUIMORAFUKLROF-BRWVUGGUSA-N 2 0 334.460 2.341 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179191544 464078081 /nfs/dbraw/zinc/07/80/81/464078081.db2.gz WQWXWXMHSKHKJB-BHIYHBOVSA-N 2 0 344.503 2.463 10 0 EEAERP Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000172502581 464093817 /nfs/dbraw/zinc/09/38/17/464093817.db2.gz KZCKGUAEJFJKGI-INIZCTEOSA-N 2 0 346.475 2.247 10 0 EEAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263902978 464233029 /nfs/dbraw/zinc/23/30/29/464233029.db2.gz FBVLRDPXMUGEQP-RTBURBONSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180094735 464239660 /nfs/dbraw/zinc/23/96/60/464239660.db2.gz VFFDIYARGDNEDN-OAHLLOKOSA-N 2 0 336.524 2.242 10 0 EEAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000238012677 464419470 /nfs/dbraw/zinc/41/94/70/464419470.db2.gz XRUYABKTUDMZRI-CVEARBPZSA-N 2 0 339.549 2.372 10 0 EEAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000245657056 464503377 /nfs/dbraw/zinc/50/33/77/464503377.db2.gz ONLGBWCVEWADPN-NEWSRXKRSA-N 2 0 344.503 2.463 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000245693005 464507006 /nfs/dbraw/zinc/50/70/06/464507006.db2.gz XPWZTTYFQWKKIG-BPQIPLTHSA-N 2 0 330.476 2.073 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246348156 464573883 /nfs/dbraw/zinc/57/38/83/464573883.db2.gz PEFQCXXDDJEGCZ-QZTJIDSGSA-N 2 0 334.508 2.154 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)[C@H](C)C1 ZINC000246430764 464583566 /nfs/dbraw/zinc/58/35/66/464583566.db2.gz MPAZLUBTTBIYTR-ZACQAIPSSA-N 2 0 326.529 2.334 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2cccs2)[C@@H](C)C1 ZINC000246436613 464585785 /nfs/dbraw/zinc/58/57/85/464585785.db2.gz CXHOFZQDBHIZDB-UXLLHSPISA-N 2 0 326.506 2.288 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176498883 464787360 /nfs/dbraw/zinc/78/73/60/464787360.db2.gz TYWCALMKMKVDBL-GOSISDBHSA-N 2 0 334.508 2.273 10 0 EEAERP C[C@@]1(F)CCCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000295462726 464845634 /nfs/dbraw/zinc/84/56/34/464845634.db2.gz QFIPQWCELKJJPD-LJQANCHMSA-N 2 0 349.450 2.281 10 0 EEAERP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361120023 465777164 /nfs/dbraw/zinc/77/71/64/465777164.db2.gz PEPTXXIMCFSHIW-KRWDZBQOSA-N 2 0 348.466 2.265 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353337259 465810093 /nfs/dbraw/zinc/81/00/93/465810093.db2.gz LWVBNHGKKOMXEP-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)(C(=O)Nc1ccc(CCN2CCOCC2)cc1)c1c[nH]cn1 ZINC000548739443 468463909 /nfs/dbraw/zinc/46/39/09/468463909.db2.gz FFOUXJVXWBHEJQ-UHFFFAOYSA-N 2 0 342.443 2.201 10 0 EEAERP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349778057 466234476 /nfs/dbraw/zinc/23/44/76/466234476.db2.gz PCPODABNFJKDRY-CABCVRRESA-N 2 0 336.505 2.229 10 0 EEAERP CN(C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361774985 466277221 /nfs/dbraw/zinc/27/72/21/466277221.db2.gz ZTHNFLICRXBMDF-OALUTQOASA-N 2 0 345.462 2.485 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000358107508 466462200 /nfs/dbraw/zinc/46/22/00/466462200.db2.gz UAQOYGXDVLUQNL-INIZCTEOSA-N 2 0 336.524 2.400 10 0 EEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310080962 466507237 /nfs/dbraw/zinc/50/72/37/466507237.db2.gz JGULWJZURHXLTR-QZTJIDSGSA-N 2 0 329.488 2.403 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000354503722 466615490 /nfs/dbraw/zinc/61/54/90/466615490.db2.gz HCPLHGFVYDAQDC-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000422792666 466683576 /nfs/dbraw/zinc/68/35/76/466683576.db2.gz RILOMWJEXFNHOI-XUVXKRRUSA-N 3 0 348.579 2.447 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000423289119 466710284 /nfs/dbraw/zinc/71/02/84/466710284.db2.gz AISBOICTOSWLJV-LSDHHAIUSA-N 3 0 333.476 2.117 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417042152 466762680 /nfs/dbraw/zinc/76/26/80/466762680.db2.gz WUKXHIKBGDBRTM-SOLBZPMBSA-N 2 0 332.492 2.354 10 0 EEAERP COc1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423544842 466772281 /nfs/dbraw/zinc/77/22/81/466772281.db2.gz IZSZOVOXTGQRRM-GNVJSZRZSA-N 2 0 329.488 2.466 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000417152529 466791758 /nfs/dbraw/zinc/79/17/58/466791758.db2.gz ISACQCVHRYFFOU-UHFFFAOYSA-N 2 0 344.503 2.074 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417186549 466796999 /nfs/dbraw/zinc/79/69/99/466796999.db2.gz WUQNMXDOYOFMHT-MSOLQXFVSA-N 2 0 344.434 2.428 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417200221 466800141 /nfs/dbraw/zinc/80/01/41/466800141.db2.gz TUOIDGCNLIRCTE-MOPGFXCFSA-N 2 0 340.471 2.159 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000417310724 466830419 /nfs/dbraw/zinc/83/04/19/466830419.db2.gz KPGZCCDMBRKFNN-XHSDSOJGSA-N 2 0 334.464 2.198 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417536187 466878796 /nfs/dbraw/zinc/87/87/96/466878796.db2.gz QLKMHHYKVJWDPP-XDNAFOTISA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417539497 466879077 /nfs/dbraw/zinc/87/90/77/466879077.db2.gz VLRVBKIRBVVIJE-CALCHBBNSA-N 2 0 336.524 2.425 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417756618 466925903 /nfs/dbraw/zinc/92/59/03/466925903.db2.gz ZJONDGDZOZXIBX-UHFFFAOYSA-N 2 0 332.492 2.074 10 0 EEAERP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417930739 466990469 /nfs/dbraw/zinc/99/04/69/466990469.db2.gz BEYSKIWJKQOKMY-FGTMMUONSA-N 2 0 330.476 2.215 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000417949094 467000131 /nfs/dbraw/zinc/00/01/31/467000131.db2.gz UVRNHBIXBMBHLW-RBUKOAKNSA-N 2 0 344.503 2.463 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C[C@H]1C ZINC000418330866 467093619 /nfs/dbraw/zinc/09/36/19/467093619.db2.gz QTUZCPFTWITUKG-AEFFLSMTSA-N 2 0 347.507 2.076 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418700285 467147458 /nfs/dbraw/zinc/14/74/58/467147458.db2.gz FNEYNISGQOQBNK-RNIPGJKVSA-N 2 0 344.503 2.418 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000420363379 467378947 /nfs/dbraw/zinc/37/89/47/467378947.db2.gz HYXRDWUBTXMHDX-GOSISDBHSA-N 2 0 335.879 2.422 10 0 EEAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397559024 467442434 /nfs/dbraw/zinc/44/24/34/467442434.db2.gz PPYLICYWMGYPGL-OALUTQOASA-N 3 0 331.504 2.121 10 0 EEAERP c1ccc([C@H]2C[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)CCN2)cc1 ZINC000415056276 467477284 /nfs/dbraw/zinc/47/72/84/467477284.db2.gz PRFQPDCMUZMZDS-GOLJUSPKSA-N 3 0 342.531 2.286 10 0 EEAERP COc1cc(C)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1OC ZINC000415061846 467478611 /nfs/dbraw/zinc/47/86/11/467478611.db2.gz YVBFHEWUAYZQGH-UHFFFAOYSA-N 2 0 347.503 2.318 10 0 EEAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000420926125 467515802 /nfs/dbraw/zinc/51/58/02/467515802.db2.gz ZFYKBDHTGRAIIQ-INIZCTEOSA-N 2 0 336.455 2.123 10 0 EEAERP CCC[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCOC ZINC000431813409 467539668 /nfs/dbraw/zinc/53/96/68/467539668.db2.gz WAFCHXHOOITQHQ-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC1CCC([NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529363910 467852685 /nfs/dbraw/zinc/85/26/85/467852685.db2.gz WMASWCNFMHKEFJ-OFLPRAFFSA-N 2 0 334.508 2.177 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000514671380 467947623 /nfs/dbraw/zinc/94/76/23/467947623.db2.gz HOSFBZDCCQASNT-FUHWJXTLSA-N 2 0 330.476 2.129 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530211033 467963528 /nfs/dbraw/zinc/96/35/28/467963528.db2.gz LVBRGHBCTRNHJL-HZMBPMFUSA-N 2 0 327.354 2.499 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000515387061 467989992 /nfs/dbraw/zinc/98/99/92/467989992.db2.gz YFTCAWUVHXHQPJ-FQEVSTJZSA-N 2 0 329.488 2.499 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493845004 467995149 /nfs/dbraw/zinc/99/51/49/467995149.db2.gz NZORYVVCYCAZSS-UHFFFAOYSA-N 2 0 331.504 2.351 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470136 468566819 /nfs/dbraw/zinc/56/68/19/468566819.db2.gz GHBQQLIDQNTAJF-MRXNPFEDSA-N 2 0 327.538 2.195 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000570381177 468630512 /nfs/dbraw/zinc/63/05/12/468630512.db2.gz GFGCODGJTYAIAX-KRWDZBQOSA-N 2 0 329.488 2.281 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000600724323 468636319 /nfs/dbraw/zinc/63/63/19/468636319.db2.gz NKFOCRQRWVEGHP-QCTRZYONSA-N 2 0 340.508 2.322 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)CC[N@@H+]1C ZINC000592393363 468688766 /nfs/dbraw/zinc/68/87/66/468688766.db2.gz GSAIWLNWCUAOBT-LSDHHAIUSA-N 2 0 326.481 2.197 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)[C@@H](C)C1 ZINC000592393721 468689567 /nfs/dbraw/zinc/68/95/67/468689567.db2.gz KIDUCNPDRBCPQY-HOTGVXAUSA-N 2 0 340.508 2.445 10 0 EEAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOCCC[NH3+])cc1Cl ZINC000629397864 469531018 /nfs/dbraw/zinc/53/10/18/469531018.db2.gz FCFQXETXOYYMRF-CYBMUJFWSA-N 2 0 327.856 2.321 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629524409 469572775 /nfs/dbraw/zinc/57/27/75/469572775.db2.gz QZXKEGHXUCVANE-COPLHBTASA-N 2 0 340.265 2.330 10 0 EEAERP Cc1cn2c(n1)C[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000626370881 469589243 /nfs/dbraw/zinc/58/92/43/469589243.db2.gz YIHFSRUDIKSDIT-QAPCUYQASA-N 2 0 340.471 2.391 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CC1(C)C ZINC000623406041 469646116 /nfs/dbraw/zinc/64/61/16/469646116.db2.gz HXTZNTVJVBSIBC-CHWSQXEVSA-N 2 0 328.403 2.167 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000623494123 469674382 /nfs/dbraw/zinc/67/43/82/469674382.db2.gz CORLUAAXKWWCHW-IBGZPJMESA-N 2 0 344.503 2.435 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000607236566 469677797 /nfs/dbraw/zinc/67/77/97/469677797.db2.gz VHDHONYCZQHFBY-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000626991882 469780586 /nfs/dbraw/zinc/78/05/86/469780586.db2.gz LYZPJQYKCKYMEA-SJLPKXTDSA-N 2 0 344.503 2.481 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009257 469788532 /nfs/dbraw/zinc/78/85/32/469788532.db2.gz DPCVJVSIQMDNHM-JFRXWTBNSA-N 2 0 344.503 2.337 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009316 469788605 /nfs/dbraw/zinc/78/86/05/469788605.db2.gz GGTDBMOGRAPRJS-WZGPROSRSA-N 2 0 344.503 2.337 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC000620973855 469965022 /nfs/dbraw/zinc/96/50/22/469965022.db2.gz AVFODYCDIWRUHO-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3coc(C(F)F)c3)C2)CC1 ZINC000625523036 470160218 /nfs/dbraw/zinc/16/02/18/470160218.db2.gz VKKPWFZMVYVTBA-GFCCVEGCSA-N 2 0 327.375 2.116 10 0 EEAERP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000635000919 470397823 /nfs/dbraw/zinc/39/78/23/470397823.db2.gz YMSLDSVJTLBURQ-INIZCTEOSA-N 2 0 337.427 2.346 10 0 EEAERP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1(CO)CC=CC1 ZINC000646083854 470521240 /nfs/dbraw/zinc/52/12/40/470521240.db2.gz GLXQTUXZKOEOQB-LJQANCHMSA-N 2 0 337.552 2.345 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647171402 470847435 /nfs/dbraw/zinc/84/74/35/470847435.db2.gz IWAWBWPTRYJLEX-SFHVURJKSA-N 2 0 341.503 2.296 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1C ZINC000647222124 470861927 /nfs/dbraw/zinc/86/19/27/470861927.db2.gz AATYWPSLGRHPOI-QXAKKESOSA-N 2 0 347.478 2.255 10 0 EEAERP C[C@@H]([NH2+]CCCc1ncn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647327387 470883510 /nfs/dbraw/zinc/88/35/10/470883510.db2.gz ZWTAJKGRSZKSIN-AEFFLSMTSA-N 2 0 327.476 2.248 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000647631078 470943313 /nfs/dbraw/zinc/94/33/13/470943313.db2.gz FFPNGLBKOKHPMR-KSZLIROESA-N 2 0 337.483 2.428 10 0 EEAERP COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899714 471010315 /nfs/dbraw/zinc/01/03/15/471010315.db2.gz SXOOLFXAIIMSEE-SJLPKXTDSA-N 2 0 345.487 2.118 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000648049359 471067661 /nfs/dbraw/zinc/06/76/61/471067661.db2.gz MEEGFVSLXUIRAM-QGZVFWFLSA-N 2 0 341.459 2.103 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638514304 471128270 /nfs/dbraw/zinc/12/82/70/471128270.db2.gz SWBQFULDNUAAMQ-MOPGFXCFSA-N 2 0 329.488 2.355 10 0 EEAERP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000657573177 471173072 /nfs/dbraw/zinc/17/30/72/471173072.db2.gz LJCWYIVCZLCRCO-QFBILLFUSA-N 2 0 333.520 2.414 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc2c1OCCCO2 ZINC000657574274 471173358 /nfs/dbraw/zinc/17/33/58/471173358.db2.gz VGWDMQHLWQXPLI-INIZCTEOSA-N 2 0 335.492 2.210 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1OCc2ccccc21 ZINC000654779298 471173870 /nfs/dbraw/zinc/17/38/70/471173870.db2.gz SEVVPDPKWCCWHD-LJQANCHMSA-N 2 0 347.503 2.380 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cn2)CC1 ZINC000657839629 471239445 /nfs/dbraw/zinc/23/94/45/471239445.db2.gz XYRGWBPWTSZGKD-UHFFFAOYSA-N 2 0 338.446 2.401 10 0 EEAERP OC1(C[NH2+][C@@H]2CCCn3nccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000658034855 471261290 /nfs/dbraw/zinc/26/12/90/471261290.db2.gz LKFMPKURLGNSMB-GOSISDBHSA-N 2 0 340.471 2.335 10 0 EEAERP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N1 ZINC000658258333 471281528 /nfs/dbraw/zinc/28/15/28/471281528.db2.gz IHKNOIBUQPYEGR-FCGDIQPGSA-N 2 0 327.472 2.155 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663416402 471364925 /nfs/dbraw/zinc/36/49/25/471364925.db2.gz PBUBVWFQBFJPJO-ZWKOTPCHSA-N 2 0 332.492 2.415 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000660671840 471439547 /nfs/dbraw/zinc/43/95/47/471439547.db2.gz JSJAMPLMGDWFGS-INIZCTEOSA-N 2 0 336.455 2.171 10 0 EEAERP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000655709355 471450587 /nfs/dbraw/zinc/45/05/87/471450587.db2.gz XNCMDTBEWCIHIH-IRXDYDNUSA-N 2 0 349.548 2.253 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806016 471488935 /nfs/dbraw/zinc/48/89/35/471488935.db2.gz WZRDCDFEJFCUIB-WDYCEAGBSA-N 2 0 343.475 2.348 10 0 EEAERP C[C@]1(CNC(=O)N[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565859 471559749 /nfs/dbraw/zinc/55/97/49/471559749.db2.gz NRLACICLDCIETI-AZUAARDMSA-N 2 0 344.503 2.482 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659269716 471559777 /nfs/dbraw/zinc/55/97/77/471559777.db2.gz NSWOZBFWTXCUKT-NEWSRXKRSA-N 2 0 347.503 2.250 10 0 EEAERP C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000656152741 471609685 /nfs/dbraw/zinc/60/96/85/471609685.db2.gz FATBQLFCJJXUAW-UWBQZYMWSA-N 2 0 348.487 2.398 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659465695 471640753 /nfs/dbraw/zinc/64/07/53/471640753.db2.gz QPEKSPBZIRDTKC-VDHUWJSZSA-N 2 0 348.466 2.120 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667083159 471647979 /nfs/dbraw/zinc/64/79/79/471647979.db2.gz ODGZJZJLDLCTQN-YOEHRIQHSA-N 2 0 334.464 2.137 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2n(n1)CCCC2 ZINC000656261148 471657522 /nfs/dbraw/zinc/65/75/22/471657522.db2.gz CVAPVYRKONJEII-IBGZPJMESA-N 2 0 333.524 2.067 10 0 EEAERP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659610955 471698221 /nfs/dbraw/zinc/69/82/21/471698221.db2.gz HAULVFKGAICPNU-AEFFLSMTSA-N 2 0 344.503 2.196 10 0 EEAERP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468474 471726286 /nfs/dbraw/zinc/72/62/86/471726286.db2.gz MGNHIGYWZMWAOM-ROUUACIJSA-N 2 0 325.460 2.267 10 0 EEAERP OC(CNc1ncnc2c1cnn2-c1ccncc1)(C1CC1)C1CC1 ZINC000656473376 471727051 /nfs/dbraw/zinc/72/70/51/471727051.db2.gz MEZYNHHQYYTOQU-UHFFFAOYSA-N 2 0 336.399 2.174 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731354 471884210 /nfs/dbraw/zinc/88/42/10/471884210.db2.gz QLQYYAYQDAZCCC-GOSISDBHSA-N 2 0 326.444 2.440 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667785738 471903904 /nfs/dbraw/zinc/90/39/04/471903904.db2.gz YTJJYTIWXUZIEQ-VQTJNVASSA-N 2 0 329.488 2.091 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667827762 471921032 /nfs/dbraw/zinc/92/10/32/471921032.db2.gz NJFPJLCLXOYUJT-CYBMUJFWSA-N 2 0 334.439 2.467 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000665259655 471983149 /nfs/dbraw/zinc/98/31/49/471983149.db2.gz MIJDLPRMALDCRD-CJCBUOBESA-N 2 0 347.478 2.495 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000665364242 472021141 /nfs/dbraw/zinc/02/11/41/472021141.db2.gz MQIDSDYTVIRIKR-IAGOWNOFSA-N 2 0 336.524 2.233 10 0 EEAERP C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249908 472041911 /nfs/dbraw/zinc/04/19/11/472041911.db2.gz UWILJTPYWZLMCW-AWEZNQCLSA-N 2 0 325.250 2.402 10 0 EEAERP CCCN(C[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662261488 472047364 /nfs/dbraw/zinc/04/73/64/472047364.db2.gz YHOMHLWNIGTVKW-VQTJNVASSA-N 2 0 331.504 2.351 10 0 EEAERP c1cc2c(cc1[C@@H]([NH2+]C[C@H]1CCC3(C[NH2+]C3)O1)C1CC1)OCCO2 ZINC000662281308 472053943 /nfs/dbraw/zinc/05/39/43/472053943.db2.gz JIPDNAZUYKGUOH-QAPCUYQASA-N 2 0 330.428 2.020 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000662436193 472108423 /nfs/dbraw/zinc/10/84/23/472108423.db2.gz MZCFXCORNYUDIM-IBGZPJMESA-N 2 0 347.503 2.287 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000662483400 472123524 /nfs/dbraw/zinc/12/35/24/472123524.db2.gz CSWOVCMUTHCNNW-YJBOKZPZSA-N 2 0 349.475 2.098 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662794102 472254386 /nfs/dbraw/zinc/25/43/86/472254386.db2.gz XTTZLNTVLSJTHZ-UHFFFAOYSA-N 2 0 336.461 2.134 10 0 EEAERP CCC[C@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC[N@@H+]1CCOC ZINC000662825268 472269191 /nfs/dbraw/zinc/26/91/91/472269191.db2.gz GYNLMSIIASDBHZ-PKOBYXMFSA-N 2 0 345.487 2.180 10 0 EEAERP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662858677 472280882 /nfs/dbraw/zinc/28/08/82/472280882.db2.gz JIAUWCWNIAYHSP-UHFFFAOYSA-N 2 0 342.487 2.085 10 0 EEAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000662866813 472282536 /nfs/dbraw/zinc/28/25/36/472282536.db2.gz INTBTEGCSCAKIS-FGTMMUONSA-N 2 0 347.503 2.281 10 0 EEAERP C[C@@]([NH3+])(C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000662883431 472291057 /nfs/dbraw/zinc/29/10/57/472291057.db2.gz JZXCXDNKIPRSRX-HKUYNNGSSA-N 2 0 325.412 2.160 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000673609456 485475197 /nfs/dbraw/zinc/47/51/97/485475197.db2.gz ZIBHAMMGIMMGIW-IBGZPJMESA-N 2 0 328.456 2.320 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000673865384 485562210 /nfs/dbraw/zinc/56/22/10/485562210.db2.gz VJIXYZDXTVSSMB-XJKSGUPXSA-N 2 0 328.420 2.214 10 0 EEAERP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658141144 485570686 /nfs/dbraw/zinc/57/06/86/485570686.db2.gz RIAYTMBGOODXSJ-MJGOQNOKSA-N 2 0 340.471 2.154 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000382102296 485666307 /nfs/dbraw/zinc/66/63/07/485666307.db2.gz BUGICRSEVSBSSQ-QAPCUYQASA-N 2 0 341.455 2.137 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](OC)C3)cn2)CC1 ZINC000684370566 485861415 /nfs/dbraw/zinc/86/14/15/485861415.db2.gz YFHPATSXFYUTTI-ZWKOTPCHSA-N 2 0 332.492 2.271 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422840764 536850982 /nfs/dbraw/zinc/85/09/82/536850982.db2.gz UPMZTBRYPZQYCO-CVEARBPZSA-N 2 0 325.522 2.304 10 0 EEAERP CC(C)(O)C[NH+]1CCC(N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895114374 683952387 /nfs/dbraw/zinc/95/23/87/683952387.db2.gz ZUMVLCOWANNJLV-QAQDUYKDSA-N 2 0 346.519 2.393 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C12CCC2 ZINC000925684660 684881865 /nfs/dbraw/zinc/88/18/65/684881865.db2.gz IRHYYXYTLXMNPI-MGPQQGTHSA-N 2 0 325.250 2.342 10 0 EEAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001485645007 1191877674 /nfs/dbraw/zinc/87/76/74/1191877674.db2.gz SYOLEJOCKQVWLD-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP C[C@@H](CCC[NH2+]CC=C(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001485743267 1191918475 /nfs/dbraw/zinc/91/84/75/1191918475.db2.gz CPDSANNHBSSVLJ-LBPRGKRZSA-N 2 0 334.291 2.276 10 0 EEAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001266488401 1176625048 /nfs/dbraw/zinc/62/50/48/1176625048.db2.gz IQOSWVCMIAJOMP-LAQIPUCWSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545288 1176804254 /nfs/dbraw/zinc/80/42/54/1176804254.db2.gz OUAJSSMLZSGFOK-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)nc1C ZINC001266718563 1177269573 /nfs/dbraw/zinc/26/95/73/1177269573.db2.gz UWVRKUXOCLDGNW-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1F)[NH+](C)C ZINC001266836238 1177511857 /nfs/dbraw/zinc/51/18/57/1177511857.db2.gz KKKVXJBENSOGRC-HNNXBMFYSA-N 2 0 329.847 2.367 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001266877139 1177686062 /nfs/dbraw/zinc/68/60/62/1177686062.db2.gz QVYGNFVNHGSGLO-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC001266913552 1177788071 /nfs/dbraw/zinc/78/80/71/1177788071.db2.gz KDHQYHAUSSIHGN-UHFFFAOYSA-N 2 0 338.883 2.204 10 0 EEAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691319754 1177904915 /nfs/dbraw/zinc/90/49/15/1177904915.db2.gz UFTZMOZQJZHKQE-ZHMISCPASA-N 2 0 327.900 2.442 10 0 EEAERP CCCOc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001691324307 1177912681 /nfs/dbraw/zinc/91/26/81/1177912681.db2.gz ACQRGCCZJNAWDJ-VQIMIIECSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691324540 1177912826 /nfs/dbraw/zinc/91/28/26/1177912826.db2.gz KMSRTYPQVCBXMB-QZTJIDSGSA-N 2 0 347.503 2.070 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)s1 ZINC001691360246 1177970165 /nfs/dbraw/zinc/97/01/65/1177970165.db2.gz SKAKKDCRJJWXAQ-GDBMZVCRSA-N 2 0 336.505 2.016 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001267004650 1178065890 /nfs/dbraw/zinc/06/58/90/1178065890.db2.gz GHUFTPGEMUWOKN-LJQANCHMSA-N 2 0 331.504 2.310 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC001279622418 1178624678 /nfs/dbraw/zinc/62/46/78/1178624678.db2.gz XWNJDVGCFCOUJF-UHFFFAOYSA-N 2 0 345.462 2.416 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC001691446028 1178829868 /nfs/dbraw/zinc/82/98/68/1178829868.db2.gz OYJSDAAGFWJHSZ-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP CN(CC[NH2+]Cc1cccc2ccccc21)C(=O)C12CC[NH+](CC1)C2 ZINC001267456914 1179040084 /nfs/dbraw/zinc/04/00/84/1179040084.db2.gz NLJAGTVQDFDESB-UHFFFAOYSA-N 2 0 337.467 2.484 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267494517 1179172425 /nfs/dbraw/zinc/17/24/25/1179172425.db2.gz VUJUSLHUVGBHRE-FUHWJXTLSA-N 2 0 341.540 2.214 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC001481044885 1179623971 /nfs/dbraw/zinc/62/39/71/1179623971.db2.gz UQHVOFQOZNCYAK-HOCLYGCPSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCF)[C@H](C)C2)CC1 ZINC001496361061 1180533611 /nfs/dbraw/zinc/53/36/11/1180533611.db2.gz NPFQELWDOYXFEM-NVXWUHKLSA-N 2 0 327.488 2.293 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001267898286 1180717466 /nfs/dbraw/zinc/71/74/66/1180717466.db2.gz UTLOQVQURLWUCM-SJXOGVDTSA-N 2 0 325.884 2.053 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001481380832 1181163504 /nfs/dbraw/zinc/16/35/04/1181163504.db2.gz UDYCTFRPKDSOLQ-BBWFWOEESA-N 2 0 327.488 2.388 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)[C@H](C)c2ncccn2)CC1 ZINC001481521750 1181635745 /nfs/dbraw/zinc/63/57/45/1181635745.db2.gz PPJFBXMZTBROPP-MRXNPFEDSA-N 2 0 347.507 2.048 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001268070658 1181668736 /nfs/dbraw/zinc/66/87/36/1181668736.db2.gz JIHJTLWVJXLEHF-RDJZCZTQSA-N 2 0 332.492 2.462 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001268083359 1181698408 /nfs/dbraw/zinc/69/84/08/1181698408.db2.gz IXRJVDAIDDBFGQ-QGZVFWFLSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001268161692 1181875107 /nfs/dbraw/zinc/87/51/07/1181875107.db2.gz FBAQFXSMWSVBRZ-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2)cn1 ZINC001268375138 1182386589 /nfs/dbraw/zinc/38/65/89/1182386589.db2.gz NDUHSWLEAPKBEM-AWEZNQCLSA-N 2 0 329.448 2.006 10 0 EEAERP C[C@H](CC[NH2+]CC[C@@H]1CCCCO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268403234 1182512161 /nfs/dbraw/zinc/51/21/61/1182512161.db2.gz KNQDGPPJCXMUDQ-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001481870801 1182832256 /nfs/dbraw/zinc/83/22/56/1182832256.db2.gz OEKFRKXMHLVYJN-UONOGXRCSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001481930284 1182976006 /nfs/dbraw/zinc/97/60/06/1182976006.db2.gz GFRGRJBFTMGWGY-ZTNFWEORSA-N 2 0 344.503 2.105 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001482021315 1183146298 /nfs/dbraw/zinc/14/62/98/1183146298.db2.gz RSILVWROJJILFL-XSLAGTTESA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268667818 1183593971 /nfs/dbraw/zinc/59/39/71/1183593971.db2.gz YMELNPHQOSEJAQ-CQSZACIVSA-N 2 0 338.883 2.061 10 0 EEAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268793420 1183709375 /nfs/dbraw/zinc/70/93/75/1183709375.db2.gz OGWJZQIAVBPEKL-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268797019 1183715265 /nfs/dbraw/zinc/71/52/65/1183715265.db2.gz BDKAOTHHURRHHI-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001268852315 1183766553 /nfs/dbraw/zinc/76/65/53/1183766553.db2.gz JZAKNPFUQCQJHB-HNNXBMFYSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001269096914 1183959199 /nfs/dbraw/zinc/95/91/99/1183959199.db2.gz HRCARBNQULVUTM-OLZOCXBDSA-N 2 0 336.307 2.101 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CN(CC2=CCCCC2)CCO1 ZINC001482207310 1183998494 /nfs/dbraw/zinc/99/84/94/1183998494.db2.gz PQGINEROSZIQGU-IBGZPJMESA-N 2 0 349.519 2.180 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001269948199 1184737369 /nfs/dbraw/zinc/73/73/69/1184737369.db2.gz KGNZCXMTSRNMJN-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001269997910 1184772500 /nfs/dbraw/zinc/77/25/00/1184772500.db2.gz RSILVWROJJILFL-BRSBDYLESA-N 2 0 339.524 2.160 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270024616 1184793787 /nfs/dbraw/zinc/79/37/87/1184793787.db2.gz HRUZMOXCBPRZMG-BRSBDYLESA-N 2 0 337.508 2.057 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1)C1CCC1 ZINC001270067174 1184822472 /nfs/dbraw/zinc/82/24/72/1184822472.db2.gz RKJQTQWZPSXHPE-GOSISDBHSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001270082555 1184834485 /nfs/dbraw/zinc/83/44/85/1184834485.db2.gz YVAITWGTJDOGQQ-QZTJIDSGSA-N 2 0 335.467 2.482 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001270600046 1185194694 /nfs/dbraw/zinc/19/46/94/1185194694.db2.gz SGNXBENLAAUZFR-HKUYNNGSSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000290427215 1185526636 /nfs/dbraw/zinc/52/66/36/1185526636.db2.gz GVOUORGUURDJTL-PBWTXFEYSA-N 2 0 329.488 2.496 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001270923083 1185743453 /nfs/dbraw/zinc/74/34/53/1185743453.db2.gz YNPCIFMPYVDVDD-MJGOQNOKSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001482479883 1186056363 /nfs/dbraw/zinc/05/63/63/1186056363.db2.gz KXLCEYVBVTXGGH-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccon2)CC[N@@H+]1C ZINC001271567267 1186317028 /nfs/dbraw/zinc/31/70/28/1186317028.db2.gz WRNDPAKLMFEPQV-BQFCYCMXSA-N 2 0 348.491 2.266 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1coc(C)n1 ZINC001271601348 1186332204 /nfs/dbraw/zinc/33/22/04/1186332204.db2.gz XLVRCGRVQSGMNU-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271629553 1186343626 /nfs/dbraw/zinc/34/36/26/1186343626.db2.gz PEYXAAXIWWJWJJ-STQMWFEESA-N 2 0 335.414 2.107 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c(C)n1 ZINC001272781841 1193496093 /nfs/dbraw/zinc/49/60/93/1193496093.db2.gz KPKKKBWSEXQVPI-BEFAXECRSA-N 2 0 344.503 2.025 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001482847180 1187765759 /nfs/dbraw/zinc/76/57/59/1187765759.db2.gz QDCQDAMTTKWZOS-BLLLJJGKSA-N 2 0 327.419 2.289 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482944281 1187871978 /nfs/dbraw/zinc/87/19/78/1187871978.db2.gz YTJLAHKTOLAADI-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954578 1187881837 /nfs/dbraw/zinc/88/18/37/1187881837.db2.gz JLEDJFUPTTVPFM-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001482955475 1187882134 /nfs/dbraw/zinc/88/21/34/1187882134.db2.gz LDKBUYLLLHOQDT-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnc(Cl)s1 ZINC001483046171 1188254806 /nfs/dbraw/zinc/25/48/06/1188254806.db2.gz CKDBYXAQEIRDEX-SCOBNMCVSA-N 2 0 342.896 2.043 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CC[C@H]1CC1(Cl)Cl)C(=O)CC[NH+](C)C ZINC001691655774 1193590926 /nfs/dbraw/zinc/59/09/26/1193590926.db2.gz BHTSFGOBJVWBIN-QWHCGFSZSA-N 2 0 336.307 2.055 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166789 1189003690 /nfs/dbraw/zinc/00/36/90/1189003690.db2.gz OTYZHOBWZXYNQL-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCOCC1)c1ccccc1 ZINC001483184503 1189058167 /nfs/dbraw/zinc/05/81/67/1189058167.db2.gz LFYIPJGFIZJXLT-VQIMIIECSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001409346489 1189553455 /nfs/dbraw/zinc/55/34/55/1189553455.db2.gz DKFQXLUVJDAZPG-QWRGUYRKSA-N 2 0 344.912 2.264 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001409385158 1189606251 /nfs/dbraw/zinc/60/62/51/1189606251.db2.gz KKVIKLXFSNNRAI-LSDHHAIUSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)c1ocnc1CN[C@@H](C)[C@@H](C)NC(=O)CCn1ccnc1 ZINC001409388606 1189610389 /nfs/dbraw/zinc/61/03/89/1189610389.db2.gz SWPHZWMUUZUURF-UONOGXRCSA-N 2 0 333.436 2.068 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001485882629 1193628614 /nfs/dbraw/zinc/62/86/14/1193628614.db2.gz KYTYXIYZCUCCMW-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001485886331 1193629811 /nfs/dbraw/zinc/62/98/11/1193629811.db2.gz UWFWGZYNUMDYGA-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2cncn2C)c1 ZINC001409455307 1189704211 /nfs/dbraw/zinc/70/42/11/1189704211.db2.gz HTZCFVLLLCOQML-HUUCEWRRSA-N 2 0 344.459 2.044 10 0 EEAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCCOc1ccccc1 ZINC001485918191 1193639394 /nfs/dbraw/zinc/63/93/94/1193639394.db2.gz ADXYVXRCIHEPMJ-KRWDZBQOSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001485918553 1193639846 /nfs/dbraw/zinc/63/98/46/1193639846.db2.gz HLBVDDLAJUXIME-CYBMUJFWSA-N 2 0 340.537 2.329 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001409478789 1189820592 /nfs/dbraw/zinc/82/05/92/1189820592.db2.gz UGXUKLVSPHLQHU-ZIAGYGMSSA-N 2 0 339.430 2.086 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409483114 1189844746 /nfs/dbraw/zinc/84/47/46/1189844746.db2.gz YXPBOIIIZMIVIW-KBPBESRZSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1cccc(CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001409532133 1189992514 /nfs/dbraw/zinc/99/25/14/1189992514.db2.gz WXLASJCAAQJIHQ-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001485943607 1193654061 /nfs/dbraw/zinc/65/40/61/1193654061.db2.gz ZTYNZSBCBKQYTM-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001485945427 1193654732 /nfs/dbraw/zinc/65/47/32/1193654732.db2.gz OHYVGYKEXIPPHZ-DLBZAZTESA-N 2 0 346.519 2.031 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)ccc1C ZINC001409611899 1190102969 /nfs/dbraw/zinc/10/29/69/1190102969.db2.gz SDZWZUAJMFBBPM-WMZOPIPTSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001409621214 1190112190 /nfs/dbraw/zinc/11/21/90/1190112190.db2.gz GSGDVTRDVNPAQF-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCOCC1 ZINC001409689068 1190189501 /nfs/dbraw/zinc/18/95/01/1190189501.db2.gz ORAURSAJQNFFHV-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001409758368 1190248093 /nfs/dbraw/zinc/24/80/93/1190248093.db2.gz CNACPBVAHZRNRQ-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001483356866 1190395252 /nfs/dbraw/zinc/39/52/52/1190395252.db2.gz MGUIVXSHGNIEOE-WBVHZDCISA-N 2 0 330.476 2.382 10 0 EEAERP C[C@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCn1ccnc1 ZINC001483371900 1190415380 /nfs/dbraw/zinc/41/53/80/1190415380.db2.gz XPXZTXHRTSADDN-QAPCUYQASA-N 2 0 326.444 2.397 10 0 EEAERP Cc1cccc(C)c1OCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001483419068 1190466037 /nfs/dbraw/zinc/46/60/37/1190466037.db2.gz FEHGKKVEFAGNAZ-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483512229 1190525504 /nfs/dbraw/zinc/52/55/04/1190525504.db2.gz SKEXBAMZRQCZII-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2CC2)c(C)n1 ZINC001483567924 1190557444 /nfs/dbraw/zinc/55/74/44/1190557444.db2.gz WEGDDLVDMDRROT-MOPGFXCFSA-N 2 0 346.519 2.269 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1C)C1CC1)[NH+](C)C ZINC001483599962 1190579842 /nfs/dbraw/zinc/57/98/42/1190579842.db2.gz AIGMAVHJZBUENB-QZTJIDSGSA-N 2 0 335.467 2.459 10 0 EEAERP CCc1nocc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001409836311 1190668965 /nfs/dbraw/zinc/66/89/65/1190668965.db2.gz WZEBYRUUUIQAKD-MRXNPFEDSA-N 2 0 336.480 2.050 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCOC1CCC1)C12CCC[NH+]1CCC2 ZINC001272280916 1190738222 /nfs/dbraw/zinc/73/82/22/1190738222.db2.gz NSRASQGAFFCTTI-SJLPKXTDSA-N 2 0 349.519 2.058 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691637105 1190746906 /nfs/dbraw/zinc/74/69/06/1190746906.db2.gz SJIGXORXLTWMTR-IRXDYDNUSA-N 2 0 327.513 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272564173 1190879286 /nfs/dbraw/zinc/87/92/86/1190879286.db2.gz FWMWQJAWNOBITK-CVEARBPZSA-N 2 0 335.517 2.418 10 0 EEAERP Cc1ccncc1C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483744322 1190896428 /nfs/dbraw/zinc/89/64/28/1190896428.db2.gz UQDWKYYDKRLUSM-QZTJIDSGSA-N 2 0 342.487 2.145 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cnccc2C)C1 ZINC001272624950 1190936868 /nfs/dbraw/zinc/93/68/68/1190936868.db2.gz QWVWVKGOQWDQGK-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001272652500 1190961765 /nfs/dbraw/zinc/96/17/65/1190961765.db2.gz LBKGVQNSPPXHRB-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC001483781862 1191025680 /nfs/dbraw/zinc/02/56/80/1191025680.db2.gz TYJGKRIQBKMHEW-AWEZNQCLSA-N 2 0 331.451 2.392 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC[C@@H](C)F)C2 ZINC001483832983 1191070374 /nfs/dbraw/zinc/07/03/74/1191070374.db2.gz RQBBFGDKHJGLMX-SJLPKXTDSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001483908362 1191120356 /nfs/dbraw/zinc/12/03/56/1191120356.db2.gz JHIYIPXYBNIEGX-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)OCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483967417 1191135469 /nfs/dbraw/zinc/13/54/69/1191135469.db2.gz MDALLWZMWVNODZ-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncccc1C[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483973658 1191137367 /nfs/dbraw/zinc/13/73/67/1191137367.db2.gz CGADLAZFOHFVOX-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP CN(C)c1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001484110109 1191216720 /nfs/dbraw/zinc/21/67/20/1191216720.db2.gz AZBUMAFNAZFULP-FQEVSTJZSA-N 2 0 346.519 2.033 10 0 EEAERP C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348545 1191313314 /nfs/dbraw/zinc/31/33/14/1191313314.db2.gz PQLBRSVGQHJLDM-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512166 1191390468 /nfs/dbraw/zinc/39/04/68/1191390468.db2.gz DDLVOBURBROBEW-WMZOPIPTSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001484618029 1191443905 /nfs/dbraw/zinc/44/39/05/1191443905.db2.gz HIEDTXFXWVSMGZ-QGZVFWFLSA-N 2 0 335.467 2.291 10 0 EEAERP O=C(Cc1ncc[nH]1)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001484619181 1191444280 /nfs/dbraw/zinc/44/42/80/1191444280.db2.gz BFCDYLNGFYFBAD-QGZVFWFLSA-N 2 0 326.444 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCCOC)CC1 ZINC001484717380 1191481056 /nfs/dbraw/zinc/48/10/56/1191481056.db2.gz WLENKWYARSSHKX-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ocnc1C ZINC001484768898 1191522656 /nfs/dbraw/zinc/52/26/56/1191522656.db2.gz JQCHOELDMDLOLU-MRXNPFEDSA-N 2 0 336.480 2.138 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001484876763 1191559953 /nfs/dbraw/zinc/55/99/53/1191559953.db2.gz XOWHZDSJOGNBLD-FWRQMEPDSA-N 2 0 334.291 2.228 10 0 EEAERP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)o1 ZINC001484921254 1191575897 /nfs/dbraw/zinc/57/58/97/1191575897.db2.gz RIXTWAGFMKDXRQ-UHFFFAOYSA-N 2 0 336.480 2.050 10 0 EEAERP CC/C=C/CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001485007368 1191612966 /nfs/dbraw/zinc/61/29/66/1191612966.db2.gz XWCBGALFOWWFHX-WRFKIARRSA-N 2 0 349.519 2.130 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccn1 ZINC001485041199 1191622761 /nfs/dbraw/zinc/62/27/61/1191622761.db2.gz YKQANSFNDXSMOV-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP CCCCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485055315 1191628670 /nfs/dbraw/zinc/62/86/70/1191628670.db2.gz JNMYERTVFNOVNL-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001485107123 1191656507 /nfs/dbraw/zinc/65/65/07/1191656507.db2.gz GFMMKURUWPMEEQ-HIFPTAJRSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001485181893 1191679713 /nfs/dbraw/zinc/67/97/13/1191679713.db2.gz UESDBUWCASCGNU-OLZOCXBDSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001485207321 1191693665 /nfs/dbraw/zinc/69/36/65/1191693665.db2.gz UKHQJODANUAUQO-KGLIPLIRSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001485347317 1191749315 /nfs/dbraw/zinc/74/93/15/1191749315.db2.gz HEAAMPCMUWVOND-STQMWFEESA-N 2 0 327.419 2.414 10 0 EEAERP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485375790 1191764561 /nfs/dbraw/zinc/76/45/61/1191764561.db2.gz AFULCCLXQNUXNL-LSDHHAIUSA-N 2 0 333.451 2.419 10 0 EEAERP COC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485513649 1191816306 /nfs/dbraw/zinc/81/63/06/1191816306.db2.gz UQTJBTOQIWEPHO-LSDHHAIUSA-N 2 0 339.524 2.111 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001486252754 1193780034 /nfs/dbraw/zinc/78/00/34/1193780034.db2.gz IIZZPDPPGXKJJF-GXTWGEPZSA-N 2 0 335.414 2.107 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(C)(C)C ZINC001486359292 1193844427 /nfs/dbraw/zinc/84/44/27/1193844427.db2.gz TZRLYNVXRZLXJH-DLBZAZTESA-N 2 0 341.540 2.048 10 0 EEAERP C[C@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)O1 ZINC001486512655 1194031466 /nfs/dbraw/zinc/03/14/66/1194031466.db2.gz IPOHYQHHIPDTQK-WMZOPIPTSA-N 2 0 349.519 2.177 10 0 EEAERP CC(C)[N@H+]1CC=C(CNC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001486515920 1194035575 /nfs/dbraw/zinc/03/55/75/1194035575.db2.gz UHPCOBNAPOHBSH-UHFFFAOYSA-N 2 0 329.488 2.318 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018595 1194325669 /nfs/dbraw/zinc/32/56/69/1194325669.db2.gz MUNKYSWEURYSRF-OLZOCXBDSA-N 2 0 338.521 2.086 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001273025565 1194332944 /nfs/dbraw/zinc/33/29/44/1194332944.db2.gz XJMAPNCPRIWHFW-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP COC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001671059277 1195065180 /nfs/dbraw/zinc/06/51/80/1195065180.db2.gz IMWAIIZYTILJCO-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCc3ccccc3)CCC2)C1 ZINC001273200898 1197492618 /nfs/dbraw/zinc/49/26/18/1197492618.db2.gz IIOYCXFBWAIWAO-GOSISDBHSA-N 2 0 329.488 2.199 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](Cc3ccc(F)cc3)C[C@]2(C)C1 ZINC001410191576 1197594970 /nfs/dbraw/zinc/59/49/70/1197594970.db2.gz WRELPZLOWGUGCU-BGYRXZFFSA-N 2 0 347.478 2.448 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2F)CC1 ZINC001410247345 1197631248 /nfs/dbraw/zinc/63/12/48/1197631248.db2.gz KAUBDMPKJKBDTL-UHFFFAOYSA-N 2 0 339.430 2.339 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Cl ZINC000872256397 1198114190 /nfs/dbraw/zinc/11/41/90/1198114190.db2.gz SSNOMVWHMIGTIG-BMFZPTHFSA-N 2 0 335.835 2.015 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872283474 1198128157 /nfs/dbraw/zinc/12/81/57/1198128157.db2.gz FIMQXELWTJXVAQ-HRTXXLTDSA-N 2 0 341.499 2.387 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cncs2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001410866473 1198517976 /nfs/dbraw/zinc/51/79/76/1198517976.db2.gz PPZMRTKFQYYPRB-KBPBESRZSA-N 2 0 338.521 2.200 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410890279 1198544732 /nfs/dbraw/zinc/54/47/32/1198544732.db2.gz BLEABPMPLPRNDO-AZUAARDMSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1csc(CN2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)n1 ZINC001410930875 1198595746 /nfs/dbraw/zinc/59/57/46/1198595746.db2.gz QDPLGDRMJCGDBZ-CABCVRRESA-N 2 0 338.521 2.261 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1C ZINC001411068729 1198751449 /nfs/dbraw/zinc/75/14/49/1198751449.db2.gz LWBQFWTXLXSEEX-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP CC(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001411170798 1198860023 /nfs/dbraw/zinc/86/00/23/1198860023.db2.gz PSFWCHHHCFFBHP-QGZVFWFLSA-N 2 0 341.540 2.048 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2cnoc2C)CC1 ZINC001411255304 1198982004 /nfs/dbraw/zinc/98/20/04/1198982004.db2.gz AJSNLKLPSFSFHD-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(=O)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C ZINC000870018704 1200409397 /nfs/dbraw/zinc/40/93/97/1200409397.db2.gz FODWWHUXWNLGPA-QZTJIDSGSA-N 2 0 345.487 2.009 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000870018815 1200410888 /nfs/dbraw/zinc/41/08/88/1200410888.db2.gz HIOMWOHHYGAANV-FKICDVMDSA-N 2 0 343.515 2.234 10 0 EEAERP CC(C)c1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000870021546 1200411833 /nfs/dbraw/zinc/41/18/33/1200411833.db2.gz HTODSWUENDEMSM-ZIAGYGMSSA-N 2 0 338.521 2.078 10 0 EEAERP C[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023133 1200413273 /nfs/dbraw/zinc/41/32/73/1200413273.db2.gz MSOKEBHQUPDXKB-CGTJXYLNSA-N 2 0 349.494 2.202 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000870907574 1200943555 /nfs/dbraw/zinc/94/35/55/1200943555.db2.gz ZBNREWPKCWECIN-DGZYCVBISA-N 2 0 327.472 2.298 10 0 EEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870936725 1200965675 /nfs/dbraw/zinc/96/56/75/1200965675.db2.gz CEALZKUVYQOOEJ-ZIAGYGMSSA-N 2 0 342.281 2.281 10 0 EEAERP c1ccc(C[N@@H+]2CC[C@H](N3CCC[C@@H]([NH2+]C4CCOCC4)C3)C2)cc1 ZINC000880205710 1201421322 /nfs/dbraw/zinc/42/13/22/1201421322.db2.gz UJPRTJMOYREGGR-RTWAWAEBSA-N 2 0 343.515 2.494 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001274002566 1204288308 /nfs/dbraw/zinc/28/83/08/1204288308.db2.gz LWGNAGLGNLPKDG-ROUUACIJSA-N 2 0 349.519 2.225 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCC2=CCCCC2)CCOCC1 ZINC001274014060 1204317975 /nfs/dbraw/zinc/31/79/75/1204317975.db2.gz DVIKWBMREIIHMB-UHFFFAOYSA-N 2 0 349.519 2.228 10 0 EEAERP Cc1ccc(OCC[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001274125421 1204389224 /nfs/dbraw/zinc/38/92/24/1204389224.db2.gz PPGGZCJUYKTJAY-PHWHVTFISA-N 2 0 345.487 2.120 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001274437871 1205036011 /nfs/dbraw/zinc/03/60/11/1205036011.db2.gz YCNXLGKFUQCEEE-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274519305 1205065550 /nfs/dbraw/zinc/06/55/50/1205065550.db2.gz PZMJEEBZPIPELJ-JTHGQSKGSA-N 2 0 332.492 2.047 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCCCF ZINC001274644868 1205113558 /nfs/dbraw/zinc/11/35/58/1205113558.db2.gz SNRNYIDQMIDLEQ-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001411794987 1205527181 /nfs/dbraw/zinc/52/71/81/1205527181.db2.gz URPHOTCTEOTPRL-SFHVURJKSA-N 2 0 348.539 2.381 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001276052796 1205753473 /nfs/dbraw/zinc/75/34/73/1205753473.db2.gz MTFPPSGUBPQBQD-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1 ZINC001276093864 1205779003 /nfs/dbraw/zinc/77/90/03/1205779003.db2.gz ZGXYQYZVJGBMJV-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001276226136 1205843698 /nfs/dbraw/zinc/84/36/98/1205843698.db2.gz CHKRWCKNCIHKNM-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccnc1 ZINC001276258638 1205858928 /nfs/dbraw/zinc/85/89/28/1205858928.db2.gz MAKPZGIVADAMFJ-GOSISDBHSA-N 2 0 332.492 2.283 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001276298716 1205873678 /nfs/dbraw/zinc/87/36/78/1205873678.db2.gz ZZBSSJRVRHKDJG-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000924633615 1206007451 /nfs/dbraw/zinc/00/74/51/1206007451.db2.gz WHXHGHSSBBVMLV-SJLPKXTDSA-N 2 0 334.508 2.403 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925480778 1206117865 /nfs/dbraw/zinc/11/78/65/1206117865.db2.gz XCTVHSODBDXQNI-RBUKOAKNSA-N 3 0 347.503 2.003 10 0 EEAERP C[NH+](C)CCOc1ccccc1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925531093 1206124101 /nfs/dbraw/zinc/12/41/01/1206124101.db2.gz WRZHMJDMIBNMOK-NZSAHSFTSA-N 2 0 331.504 2.493 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C[C@@H]([NH3+])C1 ZINC000925563726 1206128717 /nfs/dbraw/zinc/12/87/17/1206128717.db2.gz FBTUKKLIESUMHA-MSOLQXFVSA-N 2 0 345.487 2.155 10 0 EEAERP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925566626 1206129150 /nfs/dbraw/zinc/12/91/50/1206129150.db2.gz DXVWFQMWBBQQIQ-OGWHTMIXSA-N 2 0 332.488 2.409 10 0 EEAERP CC1(C)[C@H]([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925673579 1206142611 /nfs/dbraw/zinc/14/26/11/1206142611.db2.gz ZEXDMSKCHFHVAG-WCXIOVBPSA-N 2 0 334.508 2.033 10 0 EEAERP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710155 1206145414 /nfs/dbraw/zinc/14/54/14/1206145414.db2.gz HQPZGABETFJRHO-YSTOQKLRSA-N 3 0 343.515 2.119 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)[C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000925768607 1206152268 /nfs/dbraw/zinc/15/22/68/1206152268.db2.gz KJDILDLXQGOYMU-XHSDSOJGSA-N 2 0 326.481 2.103 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1Cn1cccn1 ZINC000925788694 1206153784 /nfs/dbraw/zinc/15/37/84/1206153784.db2.gz AYYAPPQSQBOZAC-RKVPGOIHSA-N 2 0 328.460 2.446 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC(F)(F)CC1 ZINC000925849444 1206160524 /nfs/dbraw/zinc/16/05/24/1206160524.db2.gz JFEDWABXRCXECG-OCCSQVGLSA-N 2 0 330.419 2.475 10 0 EEAERP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858948 1206162080 /nfs/dbraw/zinc/16/20/80/1206162080.db2.gz XBEMKEGQEXAHIB-CABCVRRESA-N 2 0 332.444 2.421 10 0 EEAERP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925857974 1206162174 /nfs/dbraw/zinc/16/21/74/1206162174.db2.gz RBQKBFXOBRINNF-BZUAXINKSA-N 2 0 338.492 2.245 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1nc2c(s1)CCCC2 ZINC000925859123 1206162193 /nfs/dbraw/zinc/16/21/93/1206162193.db2.gz VVVQETKTPBDSPB-QWHCGFSZSA-N 2 0 349.500 2.358 10 0 EEAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925880330 1206163523 /nfs/dbraw/zinc/16/35/23/1206163523.db2.gz JNEIGHUAULPFOR-MTQWCTHYSA-N 2 0 330.472 2.437 10 0 EEAERP C[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[C@H]1C[NH3+] ZINC000925951204 1206173863 /nfs/dbraw/zinc/17/38/63/1206173863.db2.gz DLXHVDYKGKTZLF-GJZGRUSLSA-N 2 0 334.464 2.076 10 0 EEAERP C[NH+](C)CCOc1ccc(CCC(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000929350570 1206467325 /nfs/dbraw/zinc/46/73/25/1206467325.db2.gz UQPVWUPLOKMLIN-UHFFFAOYSA-N 2 0 335.492 2.016 10 0 EEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929754144 1206498251 /nfs/dbraw/zinc/49/82/51/1206498251.db2.gz KCVNLZSSQLQNHH-MUGJNUQGSA-N 2 0 330.472 2.244 10 0 EEAERP C[C@H](O)[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931083298 1206605447 /nfs/dbraw/zinc/60/54/47/1206605447.db2.gz JPFKNWCSXFFHMF-PWIZWCRZSA-N 2 0 346.515 2.351 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N)nc3)C2)ccn1 ZINC000931092616 1206606029 /nfs/dbraw/zinc/60/60/29/1206606029.db2.gz FPUWFAUVQBBZTD-GOSISDBHSA-N 2 0 341.459 2.164 10 0 EEAERP OC1(CC[NH2+]C[C@@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000717997139 1211685448 /nfs/dbraw/zinc/68/54/48/1211685448.db2.gz RJXXFSAZOICQLD-IBGZPJMESA-N 2 0 332.488 2.420 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)C(=O)NCC[NH+](C)C ZINC000421838314 1217867625 /nfs/dbraw/zinc/86/76/25/1217867625.db2.gz UIBCTURXDXJSAJ-MJGOQNOKSA-N 2 0 346.519 2.011 10 0 EEAERP CC1(C)C[N@@H+](C2(CNC(=O)C34CC[NH+](CC3)C4)CCCCC2)CCO1 ZINC000900632605 1234587269 /nfs/dbraw/zinc/58/72/69/1234587269.db2.gz BIWNTHASCQSSOO-UHFFFAOYSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@@H](C)O1 ZINC000900980333 1235074291 /nfs/dbraw/zinc/07/42/91/1235074291.db2.gz JXNOAHIJGJDSLL-BDXSIMOUSA-N 2 0 337.508 2.009 10 0 EEAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900994329 1235087579 /nfs/dbraw/zinc/08/75/79/1235087579.db2.gz PPPYQXIVZMXJSA-KRWDZBQOSA-N 2 0 346.475 2.377 10 0 EEAERP CC(C)C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCOCC1 ZINC000902745696 1238381894 /nfs/dbraw/zinc/38/18/94/1238381894.db2.gz TVTHGNCAQVAYPX-LJQANCHMSA-N 2 0 325.541 2.445 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000902904190 1239002364 /nfs/dbraw/zinc/00/23/64/1239002364.db2.gz JZGCCMPWNUFLOP-SJORKVTESA-N 2 0 348.516 2.450 10 0 EEAERP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000903064120 1239648807 /nfs/dbraw/zinc/64/88/07/1239648807.db2.gz MFIHGXGRAISJAD-KYNGSXCRSA-N 2 0 345.487 2.248 10 0 EEAERP C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903215975 1240029916 /nfs/dbraw/zinc/02/99/16/1240029916.db2.gz RUTHEIXXAYNOBQ-WDSOQIARSA-N 2 0 329.488 2.355 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903732529 1241763429 /nfs/dbraw/zinc/76/34/29/1241763429.db2.gz FMOZLJPEFLUVNQ-NJDAHSKKSA-N 2 0 344.499 2.479 10 0 EEAERP COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921887 1242510990 /nfs/dbraw/zinc/51/09/90/1242510990.db2.gz SDLCOOXMQNRDGJ-KBXCAEBGSA-N 2 0 328.460 2.132 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947540 1242659180 /nfs/dbraw/zinc/65/91/80/1242659180.db2.gz AFJKQNBWKRQSLP-KDOFPFPSSA-N 2 0 327.476 2.381 10 0 EEAERP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978643 1242834767 /nfs/dbraw/zinc/83/47/67/1242834767.db2.gz JAZNXKCMJJAWMT-CHWSQXEVSA-N 2 0 344.908 2.469 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001490940056 1258493047 /nfs/dbraw/zinc/49/30/47/1258493047.db2.gz CZJDHQZLMPWVGJ-IYARVYRRSA-N 2 0 349.519 2.225 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001491084571 1258650188 /nfs/dbraw/zinc/65/01/88/1258650188.db2.gz AMDOZQCYYAXSMW-KSZLIROESA-N 2 0 337.508 2.058 10 0 EEAERP CO[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C)C1CCC1 ZINC001491235664 1258823717 /nfs/dbraw/zinc/82/37/17/1258823717.db2.gz FVJPORYNSLQBCP-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC001491231096 1258833049 /nfs/dbraw/zinc/83/30/49/1258833049.db2.gz RDFINLINFDKNJL-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001491478587 1259129517 /nfs/dbraw/zinc/12/95/17/1259129517.db2.gz QWGGATHDSXYQOS-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP Cn1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000850344419 1277189152 /nfs/dbraw/zinc/18/91/52/1277189152.db2.gz IABIKQZYGCFHCX-UHFFFAOYSA-N 2 0 326.872 2.054 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)C1 ZINC000850506659 1277252910 /nfs/dbraw/zinc/25/29/10/1277252910.db2.gz BPOFYMDQIJADMU-AEFFLSMTSA-N 2 0 326.444 2.144 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000851681564 1277716819 /nfs/dbraw/zinc/71/68/19/1277716819.db2.gz PTTQECNEXZHOJG-GOSISDBHSA-N 2 0 334.508 2.176 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001488961612 1290290756 /nfs/dbraw/zinc/29/07/56/1290290756.db2.gz JSLARUYTHNAXFE-DZGCQCFKSA-N 2 0 331.451 2.248 10 0 EEAERP CCN(CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1cc(C)on1 ZINC001490348725 1291167677 /nfs/dbraw/zinc/16/76/77/1291167677.db2.gz HABHTBDCLYNXSJ-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001490422770 1291334798 /nfs/dbraw/zinc/33/47/98/1291334798.db2.gz SLPVHUOPWOUMQC-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP CSc1nnc(CCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1CC(C)C ZINC000925487696 1292202959 /nfs/dbraw/zinc/20/29/59/1292202959.db2.gz NXOYEFOTKDYFIM-KBPBESRZSA-N 2 0 337.537 2.448 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(C)nc3C)C2)ccn1 ZINC000856552077 1293565273 /nfs/dbraw/zinc/56/52/73/1293565273.db2.gz GRGYNUUVXGOJAC-IBGZPJMESA-N 2 0 343.475 2.229 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000861567839 1295459199 /nfs/dbraw/zinc/45/91/99/1295459199.db2.gz QBHKWDOQXBCGLG-YJBOKZPZSA-N 2 0 336.524 2.471 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000863550092 1296328803 /nfs/dbraw/zinc/32/88/03/1296328803.db2.gz NKJYDLQQTBGHGT-CVEARBPZSA-N 2 0 335.835 2.097 10 0 EEAERP CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491162240 1299641686 /nfs/dbraw/zinc/64/16/86/1299641686.db2.gz PVABMRMUXBKXPE-OAHLLOKOSA-N 2 0 327.432 2.119 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCc2ccccc2)C1 ZINC001279208961 1301729811 /nfs/dbraw/zinc/72/98/11/1301729811.db2.gz MOKHMCNPQCTWGN-CTWPCTMYSA-N 2 0 329.488 2.292 10 0 EEAERP Cc1cccnc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277280694 1302161816 /nfs/dbraw/zinc/16/18/16/1302161816.db2.gz SLDJHUGAXLOUPI-BZSNNMDCSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCOC)[NH+](C)C ZINC001277442076 1303032287 /nfs/dbraw/zinc/03/22/87/1303032287.db2.gz ULJIWHJTJWGBAE-KSZLIROESA-N 2 0 339.524 2.209 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CCc2ccc(F)cc2F)CC1 ZINC001118584290 1308891691 /nfs/dbraw/zinc/89/16/91/1308891691.db2.gz WHIQQWWGSOSANS-UHFFFAOYSA-N 2 0 339.430 2.088 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCCOC)C2)C1)[NH+](C)C ZINC001278335390 1309542142 /nfs/dbraw/zinc/54/21/42/1309542142.db2.gz JHQLDKSMDQKMBQ-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)s1 ZINC001278417746 1310174306 /nfs/dbraw/zinc/17/43/06/1310174306.db2.gz XBMHXUCOKBBLEB-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc(Cl)n1 ZINC000841849248 1315622752 /nfs/dbraw/zinc/62/27/52/1315622752.db2.gz DUOHRRGXLGZVFM-AWEZNQCLSA-N 2 0 345.834 2.113 10 0 EEAERP CC[NH2+]CC(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000843496043 1315924203 /nfs/dbraw/zinc/92/42/03/1315924203.db2.gz SYVYJHFZDPEDFV-WBVHZDCISA-N 2 0 325.403 2.214 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]CCCCCF ZINC001278639535 1317528011 /nfs/dbraw/zinc/52/80/11/1317528011.db2.gz KNCWZTXDMPXCDL-IRXDYDNUSA-N 2 0 339.499 2.295 10 0 EEAERP Cc1cc([C@@H]([NH3+])Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc(Cl)n1 ZINC001261442384 1322103942 /nfs/dbraw/zinc/10/39/42/1322103942.db2.gz OWFNMARPEAXYRD-KGLIPLIRSA-N 2 0 347.850 2.478 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001264126156 1322635386 /nfs/dbraw/zinc/63/53/86/1322635386.db2.gz RRZFWCSKHZIFRB-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001265557777 1323218478 /nfs/dbraw/zinc/21/84/78/1323218478.db2.gz FMYPKVXQNJURJY-LZQZEXGQSA-N 2 0 347.478 2.337 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001265633087 1323282570 /nfs/dbraw/zinc/28/25/70/1323282570.db2.gz NTDPOSWGWSMSMK-QGZVFWFLSA-N 2 0 332.492 2.142 10 0 EEAERP Cc1ncoc1C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001266138260 1323708590 /nfs/dbraw/zinc/70/85/90/1323708590.db2.gz AFZSMOOJIYBPDX-QGZVFWFLSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001280458190 1324236836 /nfs/dbraw/zinc/23/68/36/1324236836.db2.gz SWTYFBZTUVQKTP-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001281476267 1325147876 /nfs/dbraw/zinc/14/78/76/1325147876.db2.gz QBEZIEYZNKSVKM-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001281526718 1325226863 /nfs/dbraw/zinc/22/68/63/1325226863.db2.gz HMTXVKBEXAQEEU-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001316622783 1325816097 /nfs/dbraw/zinc/81/60/97/1325816097.db2.gz PKRXZVHZMUUUHD-SLFFLAALSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001283061470 1325904678 /nfs/dbraw/zinc/90/46/78/1325904678.db2.gz AQZBDMFNJCXHTM-WKILWMFISA-N 2 0 339.443 2.332 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001283078908 1325911613 /nfs/dbraw/zinc/91/16/13/1325911613.db2.gz VPAWLVVJUJTYFM-ZQDZILKHSA-N 2 0 347.425 2.440 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283147340 1325934719 /nfs/dbraw/zinc/93/47/19/1325934719.db2.gz VCVQIULZLDMVKH-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccs1 ZINC001283174164 1325944620 /nfs/dbraw/zinc/94/46/20/1325944620.db2.gz QXHNNWFLMKEDEJ-HUUCEWRRSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001284031137 1326371560 /nfs/dbraw/zinc/37/15/60/1326371560.db2.gz JBLRATMKZCMBCI-ROUUACIJSA-N 2 0 347.503 2.293 10 0 EEAERP Cc1cccn2cc(CC(=O)NCC3=CC[N@H+](C(C)C)CC3)nc12 ZINC001284966901 1326798998 /nfs/dbraw/zinc/79/89/98/1326798998.db2.gz ITGLFMYLTHKLJQ-UHFFFAOYSA-N 2 0 326.444 2.342 10 0 EEAERP CCCCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491943873 1330334667 /nfs/dbraw/zinc/33/46/67/1330334667.db2.gz TYFWIPAGYRFXAL-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001492044275 1330418278 /nfs/dbraw/zinc/41/82/78/1330418278.db2.gz SYPZMEOPQIIXLS-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001492027632 1330452599 /nfs/dbraw/zinc/45/25/99/1330452599.db2.gz ZAPYBRALJXSXRG-NZSAHSFTSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccncc1Cl ZINC001492082545 1330991022 /nfs/dbraw/zinc/99/10/22/1330991022.db2.gz DBXXBAGGLYQITN-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@H+](CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccon1)C1CCC1 ZINC001492158404 1331021789 /nfs/dbraw/zinc/02/17/89/1331021789.db2.gz QVJNRHKZPMVWJA-QGZVFWFLSA-N 2 0 334.464 2.020 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnc(C)o1)[NH+](C)C ZINC001492175794 1331053707 /nfs/dbraw/zinc/05/37/07/1331053707.db2.gz LMRYQEKYIJXAQY-RDJZCZTQSA-N 2 0 336.480 2.184 10 0 EEAERP CC1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC001492475348 1331277847 /nfs/dbraw/zinc/27/78/47/1331277847.db2.gz WZSHLKYFENMLNX-UHFFFAOYSA-N 2 0 342.487 2.448 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316804495 1331836021 /nfs/dbraw/zinc/83/60/21/1331836021.db2.gz NVRJIYKJNGLLCG-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H]1CCC(F)(F)C1 ZINC001316886729 1331952543 /nfs/dbraw/zinc/95/25/43/1331952543.db2.gz IVGAWRFVDAASTD-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001316907251 1331973076 /nfs/dbraw/zinc/97/30/76/1331973076.db2.gz LCNKUXRNOOGHJB-IAGOWNOFSA-N 2 0 347.507 2.016 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001316917093 1331983047 /nfs/dbraw/zinc/98/30/47/1331983047.db2.gz YQCVBSGWDUUDLF-GHKWRAHLSA-N 2 0 327.900 2.440 10 0 EEAERP COC[C@H](C)[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001316924175 1331990965 /nfs/dbraw/zinc/99/09/65/1331990965.db2.gz YFQOPHXSLQNRCJ-AWEZNQCLSA-N 2 0 344.459 2.262 10 0 EEAERP CCCCC[NH+]1CCC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001316933787 1331999856 /nfs/dbraw/zinc/99/98/56/1331999856.db2.gz NWBMRXRSEYLJHS-UHFFFAOYSA-N 2 0 349.523 2.171 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001316950133 1332011081 /nfs/dbraw/zinc/01/10/81/1332011081.db2.gz JFTASRKQNLSXJP-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001317323483 1332178919 /nfs/dbraw/zinc/17/89/19/1332178919.db2.gz WGNUYYMLWKNMSH-AZUAARDMSA-N 2 0 341.499 2.009 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001317323491 1332179087 /nfs/dbraw/zinc/17/90/87/1332179087.db2.gz WGNUYYMLWKNMSH-UYAOXDASSA-N 2 0 341.499 2.009 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CCCCCF)C2)CC1 ZINC001317339252 1332185367 /nfs/dbraw/zinc/18/53/67/1332185367.db2.gz UYPURRFMALLJIJ-QGZVFWFLSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001317429384 1332233002 /nfs/dbraw/zinc/23/30/02/1332233002.db2.gz IIBOEITYZYFPJX-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC001317641852 1332343810 /nfs/dbraw/zinc/34/38/10/1332343810.db2.gz AMRZKXRPSXHYSC-UHFFFAOYSA-N 2 0 344.459 2.215 10 0 EEAERP CN(CC[NH2+]CCOC1CCCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317656155 1332352484 /nfs/dbraw/zinc/35/24/84/1332352484.db2.gz VJCXVDXXEFEBSH-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001317668429 1332361018 /nfs/dbraw/zinc/36/10/18/1332361018.db2.gz ASTNAENOZYZCHO-KBPBESRZSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317677102 1332365794 /nfs/dbraw/zinc/36/57/94/1332365794.db2.gz PDSKLNZHCSAEKI-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317841810 1332428449 /nfs/dbraw/zinc/42/84/49/1332428449.db2.gz HSJGFTMWOIWRBH-MRXNPFEDSA-N 2 0 344.459 2.073 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)co1 ZINC001318930141 1332625690 /nfs/dbraw/zinc/62/56/90/1332625690.db2.gz XKRPISQWYCWKJO-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461786 1332705682 /nfs/dbraw/zinc/70/56/82/1332705682.db2.gz VNFPNHPUEGCOPW-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccn2)CC1 ZINC001319774745 1332764181 /nfs/dbraw/zinc/76/41/81/1332764181.db2.gz NUVBGKCYBXFZEU-SFHVURJKSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320371728 1332869764 /nfs/dbraw/zinc/86/97/64/1332869764.db2.gz LYELDKAYBXDWMC-RDTXWAMCSA-N 2 0 328.460 2.247 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320463043 1332889152 /nfs/dbraw/zinc/88/91/52/1332889152.db2.gz DFYAFSPTXXOBQU-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320573611 1332913731 /nfs/dbraw/zinc/91/37/31/1332913731.db2.gz FJEBPCIWTQMVQL-INIZCTEOSA-N 2 0 340.471 2.441 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643959 1332927640 /nfs/dbraw/zinc/92/76/40/1332927640.db2.gz ICKJQHMHXYOADD-DZGCQCFKSA-N 2 0 331.451 2.391 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001320862128 1332966796 /nfs/dbraw/zinc/96/67/96/1332966796.db2.gz GFTJHYMZEODWRD-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001320927692 1332980740 /nfs/dbraw/zinc/98/07/40/1332980740.db2.gz BPUNDEKAQRYCCD-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001321220783 1333047971 /nfs/dbraw/zinc/04/79/71/1333047971.db2.gz DMWOKUOJBVVGHF-ARJAWSKDSA-N 2 0 333.451 2.238 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001322042199 1333200817 /nfs/dbraw/zinc/20/08/17/1333200817.db2.gz NPDOKTWCTNDGPM-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001322756419 1333320581 /nfs/dbraw/zinc/32/05/81/1333320581.db2.gz MMISTTQRCGTJOD-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001322792008 1333327232 /nfs/dbraw/zinc/32/72/32/1333327232.db2.gz GNSZQWDWAHOSQU-OAHLLOKOSA-N 2 0 327.419 2.243 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001323872919 1333564166 /nfs/dbraw/zinc/56/41/66/1333564166.db2.gz MIKXMWBMLUBFDC-RTLBZRNLSA-N 2 0 331.504 2.363 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001324092122 1333607391 /nfs/dbraw/zinc/60/73/91/1333607391.db2.gz YNPCMXLMQRRZRL-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001324707171 1333742924 /nfs/dbraw/zinc/74/29/24/1333742924.db2.gz PKGUEAWBGPAWQZ-TZIWHRDSSA-N 2 0 343.515 2.460 10 0 EEAERP CC1(CNC(=O)C[NH+]2CCCC2)CC[NH+](CCCCCF)CC1 ZINC001324903646 1333783441 /nfs/dbraw/zinc/78/34/41/1333783441.db2.gz BKHLQEAIMCUQAB-UHFFFAOYSA-N 2 0 327.488 2.440 10 0 EEAERP CCC1([NH2+]CCC[C@H]2CCOC2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001327488777 1334300808 /nfs/dbraw/zinc/30/08/08/1334300808.db2.gz PUHAESUPKDUUQX-INIZCTEOSA-N 2 0 348.491 2.130 10 0 EEAERP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329875318 1334731401 /nfs/dbraw/zinc/73/14/01/1334731401.db2.gz IEWQABLRWVQLML-FXIPVCQGSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001331928800 1335679306 /nfs/dbraw/zinc/67/93/06/1335679306.db2.gz OLQXCAPNZZUVMH-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001332118707 1335734639 /nfs/dbraw/zinc/73/46/39/1335734639.db2.gz PKCHBSGYULBZJP-IEBWSBKVSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001332470312 1335831057 /nfs/dbraw/zinc/83/10/57/1335831057.db2.gz JBIZVSZMVYMIBI-ZIAGYGMSSA-N 2 0 337.430 2.353 10 0 EEAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900665 1335927401 /nfs/dbraw/zinc/92/74/01/1335927401.db2.gz VCKKDRQBMXAGJY-DLBZAZTESA-N 2 0 341.540 2.121 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccc(C)nc2C)CC1)[NH+](C)C ZINC001333433155 1336045810 /nfs/dbraw/zinc/04/58/10/1336045810.db2.gz JOFIACPVZDOHBT-IBGZPJMESA-N 2 0 344.503 2.287 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001479815542 1337396028 /nfs/dbraw/zinc/39/60/28/1337396028.db2.gz JJOUFPSCGTYIBA-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2ccccc2n1 ZINC000849074042 1338835758 /nfs/dbraw/zinc/83/57/58/1338835758.db2.gz ZLQUBIQOQGXXMX-QGZVFWFLSA-N 2 0 325.460 2.376 10 0 EEAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCC[C@H]1O ZINC001434469920 1341851280 /nfs/dbraw/zinc/85/12/80/1341851280.db2.gz RMUKWXJQMKKOTC-NHCUHLMSSA-N 2 0 345.531 2.287 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC001499120241 1342107887 /nfs/dbraw/zinc/10/78/87/1342107887.db2.gz MOSUGPONKKSWQL-IEBWSBKVSA-N 2 0 327.472 2.350 10 0 EEAERP CCC1([NH2+]CCCCOC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001502503064 1342199951 /nfs/dbraw/zinc/19/99/51/1342199951.db2.gz AWRPUOKNFVRNIK-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCC1([NH2+]CC2CC(F)(F)C2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001502515777 1342201502 /nfs/dbraw/zinc/20/15/02/1342201502.db2.gz MVNCIJUUXQNZAY-UHFFFAOYSA-N 2 0 343.462 2.488 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1CC[C@H]1CCCO1 ZINC001506588548 1342262831 /nfs/dbraw/zinc/26/28/31/1342262831.db2.gz YYTQDOZMFVCTMQ-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP CCc1ccccc1CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001506677430 1342310831 /nfs/dbraw/zinc/31/08/31/1342310831.db2.gz QZBILIHNXLFLBG-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H](Cc2ccccc2)[NH2+]CC2CC2)C1 ZINC001507387932 1342319263 /nfs/dbraw/zinc/31/92/63/1342319263.db2.gz FRCIIEXDBIQQCD-RTBURBONSA-N 2 0 329.488 2.055 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001567044931 1342685000 /nfs/dbraw/zinc/68/50/00/1342685000.db2.gz XETJLXGJKNWKMO-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567138252 1342699932 /nfs/dbraw/zinc/69/99/32/1342699932.db2.gz DGNPCGAWIIETFM-QGZVFWFLSA-N 2 0 331.504 2.181 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001567261512 1342726485 /nfs/dbraw/zinc/72/64/85/1342726485.db2.gz LCGCKRNOHCLCCZ-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569478998 1342883148 /nfs/dbraw/zinc/88/31/48/1342883148.db2.gz PKZLNRLJPDWFHX-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001676049317 1357095588 /nfs/dbraw/zinc/09/55/88/1357095588.db2.gz FKPVJMLVFGOCKF-SJLPKXTDSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001569870996 1342963687 /nfs/dbraw/zinc/96/36/87/1342963687.db2.gz RNPOGRGPEXZBJC-QGZVFWFLSA-N 2 0 347.478 2.449 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC3CC(F)(F)C3)C2)CC1 ZINC001570000739 1342995238 /nfs/dbraw/zinc/99/52/38/1342995238.db2.gz RJKQZXBWNFTAPT-CQSZACIVSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009471 1342998266 /nfs/dbraw/zinc/99/82/66/1342998266.db2.gz GVAIQHUSNWXDFK-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H]1CCCCO1 ZINC001570543854 1343080168 /nfs/dbraw/zinc/08/01/68/1343080168.db2.gz OGBWDEMEGBCJIH-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570674129 1343100127 /nfs/dbraw/zinc/10/01/27/1343100127.db2.gz SUZHWCMVBUTJOT-NFBGWVBBSA-N 2 0 327.900 2.155 10 0 EEAERP COCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676423336 1357148404 /nfs/dbraw/zinc/14/84/04/1357148404.db2.gz DIDQQBPWFKNEGV-CRAIPNDOSA-N 2 0 345.503 2.062 10 0 EEAERP COc1ccccc1CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757020 1357194930 /nfs/dbraw/zinc/19/49/30/1357194930.db2.gz UZVCRIPNOUAWJC-FUHWJXTLSA-N 2 0 347.503 2.159 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001676999110 1357258726 /nfs/dbraw/zinc/25/87/26/1357258726.db2.gz RLJWZXUEMYJUNN-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccnc(Cl)c1)C(C)(C)C ZINC001677282580 1357307381 /nfs/dbraw/zinc/30/73/81/1357307381.db2.gz WAJZXXHLCBIVNV-CQSZACIVSA-N 2 0 340.899 2.307 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001677594378 1357367473 /nfs/dbraw/zinc/36/74/73/1357367473.db2.gz LQVWVXKGYJHCEA-UHFFFAOYSA-N 2 0 327.472 2.277 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001597735673 1349930659 /nfs/dbraw/zinc/93/06/59/1349930659.db2.gz ZRNKJPFUQRMYOX-UHFFFAOYSA-N 2 0 327.538 2.148 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001645944741 1352810393 /nfs/dbraw/zinc/81/03/93/1352810393.db2.gz GNEDPFRJDOMCSC-IKGGRYGDSA-N 2 0 336.455 2.244 10 0 EEAERP Oc1ccc(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001647411845 1353268284 /nfs/dbraw/zinc/26/82/84/1353268284.db2.gz GPUKDJQIGMYRED-KRWDZBQOSA-N 2 0 341.459 2.288 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncs1 ZINC001649469463 1353523009 /nfs/dbraw/zinc/52/30/09/1353523009.db2.gz GOLRIKPULIUCTN-ZBFHGGJFSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)no1 ZINC001656453529 1354239392 /nfs/dbraw/zinc/23/93/92/1354239392.db2.gz NJMHQJYOPSBHKZ-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001661530477 1354650643 /nfs/dbraw/zinc/65/06/43/1354650643.db2.gz RSAXHPCLMGUJEU-HQSKLWIPSA-N 2 0 337.508 2.009 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661842611 1354707522 /nfs/dbraw/zinc/70/75/22/1354707522.db2.gz QQCPICVPGDNGFH-CHWSQXEVSA-N 2 0 334.291 2.085 10 0 EEAERP CC(C)CCC[NH2+]CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001664063253 1355084860 /nfs/dbraw/zinc/08/48/60/1355084860.db2.gz BFIGFBIDALNRFL-UHFFFAOYSA-N 2 0 329.448 2.365 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]CCC[C@H]1CCOC1)[NH+]1CCCCCC1 ZINC001664227372 1355116886 /nfs/dbraw/zinc/11/68/86/1355116886.db2.gz PKDNOGUYBVVWQQ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001665838988 1355397801 /nfs/dbraw/zinc/39/78/01/1355397801.db2.gz JIHXIOGEGCJIGS-HNNXBMFYSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001666092912 1355447948 /nfs/dbraw/zinc/44/79/48/1355447948.db2.gz KMOMHKPZAIXYHR-HKUYNNGSSA-N 2 0 344.503 2.203 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666869867 1355605888 /nfs/dbraw/zinc/60/58/88/1355605888.db2.gz FTEMKOGNKSFLEV-WMZOPIPTSA-N 2 0 347.503 2.159 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1)C12CC[NH+](CC1)C2 ZINC001667302163 1355704032 /nfs/dbraw/zinc/70/40/32/1355704032.db2.gz RIXKLSIQMIHDTJ-GOSISDBHSA-N 2 0 342.487 2.038 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001668059902 1355859348 /nfs/dbraw/zinc/85/93/48/1355859348.db2.gz KXGDDXKKDWDMFD-ZFWWWQNUSA-N 2 0 331.451 2.389 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001668243079 1355906740 /nfs/dbraw/zinc/90/67/40/1355906740.db2.gz HXKDEWPDXZJPEG-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668267261 1355912348 /nfs/dbraw/zinc/91/23/48/1355912348.db2.gz FREHDXGIHBLSJK-HNNXBMFYSA-N 2 0 348.491 2.089 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668575016 1355965904 /nfs/dbraw/zinc/96/59/04/1355965904.db2.gz PJKRTGIEYSISEX-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669040177 1356074759 /nfs/dbraw/zinc/07/47/59/1356074759.db2.gz USHCKNHXYNYOKN-PRDNVKDRSA-N 2 0 331.451 2.209 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669118157 1356099529 /nfs/dbraw/zinc/09/95/29/1356099529.db2.gz HOOWYHQSFVSBHZ-AATRIKPKSA-N 2 0 348.491 2.174 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C)nc1C ZINC001669206769 1356124752 /nfs/dbraw/zinc/12/47/52/1356124752.db2.gz HIYJZNFCLDAPIL-OVKVCFKUSA-N 2 0 344.503 2.335 10 0 EEAERP C[C@H](C[NH2+]CCCCCF)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669399861 1356155093 /nfs/dbraw/zinc/15/50/93/1356155093.db2.gz QVRAQMMNAPDFOS-RHSMWYFYSA-N 2 0 333.467 2.433 10 0 EEAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669665144 1356191435 /nfs/dbraw/zinc/19/14/35/1356191435.db2.gz QVRAQMMNAPDFOS-WMLDXEAASA-N 2 0 333.467 2.433 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672805253 1356588439 /nfs/dbraw/zinc/58/84/39/1356588439.db2.gz LKJIKQYPRJZEGX-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001672840879 1356597941 /nfs/dbraw/zinc/59/79/41/1356597941.db2.gz ZNMFAZHVEVPMLN-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001672991311 1356628079 /nfs/dbraw/zinc/62/80/79/1356628079.db2.gz WVNQESKCGLZCPN-XSLAGTTESA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001673342097 1356669627 /nfs/dbraw/zinc/66/96/27/1356669627.db2.gz JKOLTTWXLHNZHP-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCCOC)CC2)[NH+](C)C ZINC001674294701 1356814807 /nfs/dbraw/zinc/81/48/07/1356814807.db2.gz SFAVFNMJMUCNHC-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1CCC[NH2+]CC1CC(NC(=O)Cn2ccnc2)C1 ZINC001674612298 1356863635 /nfs/dbraw/zinc/86/36/35/1356863635.db2.gz QYUGAEYEDFFTOT-UHFFFAOYSA-N 2 0 340.471 2.309 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001698677224 1405015004 /nfs/dbraw/zinc/01/50/04/1405015004.db2.gz OZGWRJRWLXXBTF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+](CCC3=CCCCC3)CCO2)CC1 ZINC001698789454 1405061921 /nfs/dbraw/zinc/06/19/21/1405061921.db2.gz VPISDFISQLEHON-SFHVURJKSA-N 2 0 349.519 2.036 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccn2)C1 ZINC001699015826 1405231389 /nfs/dbraw/zinc/23/13/89/1405231389.db2.gz DUJWWVCUWWCXOK-IEBWSBKVSA-N 2 0 344.503 2.236 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102076 1405255226 /nfs/dbraw/zinc/25/52/26/1405255226.db2.gz GPARYYFMMSYTKN-UMVBOHGHSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCO1)[NH+]1CCCCC1 ZINC001699257462 1405298555 /nfs/dbraw/zinc/29/85/55/1405298555.db2.gz BTFQVXZULJCHRC-LAQIPUCWSA-N 2 0 337.508 2.082 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001699550163 1405385606 /nfs/dbraw/zinc/38/56/06/1405385606.db2.gz FDVVARREXVQUCP-UONOGXRCSA-N 2 0 339.430 2.416 10 0 EEAERP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000846674226 790367518 /nfs/dbraw/zinc/36/75/18/790367518.db2.gz VGWZUSMNJGEXHM-ROUUACIJSA-N 2 0 331.460 2.120 10 0 EEAERP COC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(Cl)c1F ZINC000925817196 778001047 /nfs/dbraw/zinc/00/10/47/778001047.db2.gz OEUQTFJSIOJGJK-HNNXBMFYSA-N 2 0 329.847 2.179 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000925876260 779817445 /nfs/dbraw/zinc/81/74/45/779817445.db2.gz SAEFUOWSWJKIDK-WZRBSPASSA-N 2 0 332.416 2.461 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000913097543 788625442 /nfs/dbraw/zinc/62/54/42/788625442.db2.gz NVWYMPYZRXXSFL-NZSAHSFTSA-N 2 0 329.488 2.355 10 0 EEAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844170587 788883964 /nfs/dbraw/zinc/88/39/64/788883964.db2.gz KCVRLSBGOKPUHS-RCCFBDPRSA-N 2 0 337.508 2.044 10 0 EEAERP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000923280329 789291123 /nfs/dbraw/zinc/29/11/23/789291123.db2.gz WWVGVIQIFPZVOA-LBPRGKRZSA-N 2 0 333.259 2.417 10 0 EEAERP Fc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923308569 789342202 /nfs/dbraw/zinc/34/22/02/789342202.db2.gz FGLMGFFUAQVMPF-MSOLQXFVSA-N 2 0 334.435 2.185 10 0 EEAERP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425643 789527614 /nfs/dbraw/zinc/52/76/14/789527614.db2.gz KHNOOZNCQQGSLO-DZGCQCFKSA-N 2 0 332.444 2.001 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439090 789562808 /nfs/dbraw/zinc/56/28/08/789562808.db2.gz CMWGWYDSGJRCNJ-CZUORRHYSA-N 2 0 342.842 2.342 10 0 EEAERP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1F ZINC000923452533 789585095 /nfs/dbraw/zinc/58/50/95/789585095.db2.gz HJJHYTLGIYOWSP-GDBMZVCRSA-N 2 0 349.450 2.291 10 0 EEAERP C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923496212 789653896 /nfs/dbraw/zinc/65/38/96/789653896.db2.gz HOTMLRGDHYHRTF-SJLPKXTDSA-N 2 0 342.491 2.427 10 0 EEAERP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923502974 789668711 /nfs/dbraw/zinc/66/87/11/789668711.db2.gz DGKWCVBHHHILME-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923501846 789687682 /nfs/dbraw/zinc/68/76/82/789687682.db2.gz WCJCVRGMILZSJV-QSFXBCCZSA-N 2 0 329.488 2.479 10 0 EEAERP CC(C)(C[NH3+])C1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000714449918 794986492 /nfs/dbraw/zinc/98/64/92/794986492.db2.gz XNMCIIGSITXIKL-UHFFFAOYSA-N 2 0 343.471 2.370 10 0 EEAERP Cc1ccc(CCC[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001566516288 1125687311 /nfs/dbraw/zinc/68/73/11/1125687311.db2.gz GFWKHJKIDMFCQX-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP CC[N@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)CC(C)C ZINC001566557746 1125731176 /nfs/dbraw/zinc/73/11/76/1125731176.db2.gz WWDJAMLAFZJLQT-UHFFFAOYSA-N 2 0 329.448 2.365 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cnc(C)o1 ZINC001566570481 1125748756 /nfs/dbraw/zinc/74/87/56/1125748756.db2.gz ICHSFANYQCVYDV-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC)OC ZINC001436861183 1088512126 /nfs/dbraw/zinc/51/21/26/1088512126.db2.gz NKYMQULSSVWGJQ-MHORFTMASA-N 2 0 339.524 2.207 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]C/C=C/c3ccc(Cl)cc3)C2)C1 ZINC001436878307 1088528404 /nfs/dbraw/zinc/52/84/04/1088528404.db2.gz POXFMEULUIUDPH-FFFWVMEBSA-N 2 0 347.890 2.495 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c(F)cccc3F)C2)CCC1 ZINC001436952529 1088639080 /nfs/dbraw/zinc/63/90/80/1088639080.db2.gz JRJYJVUNHWWVCY-BETUJISGSA-N 2 0 337.414 2.186 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001437195203 1089245456 /nfs/dbraw/zinc/24/54/56/1089245456.db2.gz BARIDGRZZJHVTL-CQSZACIVSA-N 2 0 346.500 2.356 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)s1 ZINC001437212873 1089291282 /nfs/dbraw/zinc/29/12/82/1089291282.db2.gz HGMJUJKAJPNUFF-XJKSGUPXSA-N 2 0 338.521 2.309 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001437237072 1089341179 /nfs/dbraw/zinc/34/11/79/1089341179.db2.gz NFKGXARWUFCKJX-MRXNPFEDSA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnc(-c2ccccc2)o1 ZINC001437258482 1089398167 /nfs/dbraw/zinc/39/81/67/1089398167.db2.gz BCFPUZGPGVHUCV-HNNXBMFYSA-N 2 0 344.459 2.276 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437263595 1089410014 /nfs/dbraw/zinc/41/00/14/1089410014.db2.gz SKAJVADXHYTKBD-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2F)C1 ZINC001437349159 1089561224 /nfs/dbraw/zinc/56/12/24/1089561224.db2.gz MXIJOHJVACULII-KRWDZBQOSA-N 2 0 335.467 2.243 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1coc(C2CC2)n1 ZINC001437369536 1089606225 /nfs/dbraw/zinc/60/62/25/1089606225.db2.gz GDNXZXGBGXPYFE-YOEHRIQHSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001437407900 1089687016 /nfs/dbraw/zinc/68/70/16/1089687016.db2.gz GXXHBESXXRQEIN-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccccc1C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437673157 1090202394 /nfs/dbraw/zinc/20/23/94/1090202394.db2.gz ALAZAJHQPGJJDE-APWZRJJASA-N 2 0 329.488 2.417 10 0 EEAERP Cc1ccc(C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1F ZINC001437817532 1090410990 /nfs/dbraw/zinc/41/09/90/1090410990.db2.gz QMEXADBDZKJXMW-UHFFFAOYSA-N 2 0 345.462 2.311 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001438367571 1090843433 /nfs/dbraw/zinc/84/34/33/1090843433.db2.gz NAAIASQPXSGWNA-HZPDHXFCSA-N 2 0 329.444 2.369 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438370267 1090847836 /nfs/dbraw/zinc/84/78/36/1090847836.db2.gz GJEURCFPZNBCAN-FUHWJXTLSA-N 2 0 349.523 2.323 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@H]2CCO[C@H](C)C2)CCCC1 ZINC001438408139 1090895451 /nfs/dbraw/zinc/89/54/51/1090895451.db2.gz YXGXOJYYDBWLLU-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001438550624 1091043014 /nfs/dbraw/zinc/04/30/14/1091043014.db2.gz YPPPSSYGFOQZKV-FUHWJXTLSA-N 2 0 331.504 2.487 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cnoc3C)CCCC2)CC[N@@H+]1C ZINC001438597911 1091086502 /nfs/dbraw/zinc/08/65/02/1091086502.db2.gz VUPSEGBFYOZABH-DLBZAZTESA-N 2 0 348.491 2.232 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445424195 1091179493 /nfs/dbraw/zinc/17/94/93/1091179493.db2.gz QBXKIAVLRGPELK-ILXRZTDVSA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438736562 1091283566 /nfs/dbraw/zinc/28/35/66/1091283566.db2.gz REDHIGYLCOAVAB-WMZOPIPTSA-N 2 0 335.467 2.398 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]Cc1cncs1 ZINC001438771715 1091356031 /nfs/dbraw/zinc/35/60/31/1091356031.db2.gz KPDIOVBAPGTUKN-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1nc(C)c(CN(C)CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001438887180 1091529551 /nfs/dbraw/zinc/52/95/51/1091529551.db2.gz AALVOSNLLBNRCQ-IAGOWNOFSA-N 2 0 348.491 2.199 10 0 EEAERP Cc1ncccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001445793328 1091661765 /nfs/dbraw/zinc/66/17/65/1091661765.db2.gz ZGQCEZUZGULEAB-VYDXJSESSA-N 2 0 332.492 2.057 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001439110672 1091754474 /nfs/dbraw/zinc/75/44/74/1091754474.db2.gz MVKSJRNJXQPRLS-CRAIPNDOSA-N 2 0 333.476 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cn(C(C)C)nc2C)CC[N@@H+]1C ZINC001439234167 1091880941 /nfs/dbraw/zinc/88/09/41/1091880941.db2.gz BGOOYGYPKBSUTL-JCGIZDLHSA-N 2 0 349.523 2.097 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001439255196 1091904558 /nfs/dbraw/zinc/90/45/58/1091904558.db2.gz CCPNUZNIZAYPRZ-IRXDYDNUSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439328316 1092011264 /nfs/dbraw/zinc/01/12/64/1092011264.db2.gz RVZIVUIKAOZUJB-QGPMSJSTSA-N 2 0 349.523 2.049 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001446317172 1092507460 /nfs/dbraw/zinc/50/74/60/1092507460.db2.gz MZEJUMYGNHWNTH-IXDOHACOSA-N 2 0 325.472 2.142 10 0 EEAERP Cc1cnc([C@H](C)[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)cn1 ZINC001439806557 1092764947 /nfs/dbraw/zinc/76/49/47/1092764947.db2.gz WXMJDVZZWUYXFL-INIZCTEOSA-N 2 0 347.507 2.159 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CCCC2)on1 ZINC001439816119 1092792879 /nfs/dbraw/zinc/79/28/79/1092792879.db2.gz NEJAXAOZYMUOPE-RDTXWAMCSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001440241464 1093328739 /nfs/dbraw/zinc/32/87/39/1093328739.db2.gz JHJUUGQGDKBQFY-SJLPKXTDSA-N 2 0 333.520 2.441 10 0 EEAERP COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001448378155 1093353145 /nfs/dbraw/zinc/35/31/45/1093353145.db2.gz AWSGXMFEMPYGOR-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001440314043 1093446696 /nfs/dbraw/zinc/44/66/96/1093446696.db2.gz QMPZTYAUGCCKPW-CALCHBBNSA-N 2 0 348.491 2.234 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001448471029 1093484518 /nfs/dbraw/zinc/48/45/18/1093484518.db2.gz NIHPPPOXRGYULQ-RCCFBDPRSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001440399401 1093582008 /nfs/dbraw/zinc/58/20/08/1093582008.db2.gz YDGWGKVYOZTYQF-SJORKVTESA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)CC1)[NH+](C)C ZINC001440407650 1093598717 /nfs/dbraw/zinc/59/87/17/1093598717.db2.gz WZSVBEUXKHRYKO-IRXDYDNUSA-N 2 0 336.455 2.032 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc2ocnc2C)C2CC2)CC[N@@H+]1C ZINC001448580797 1093633408 /nfs/dbraw/zinc/63/34/08/1093633408.db2.gz JHRPMLWVBCADSE-GVDBMIGSSA-N 2 0 348.491 2.040 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001440517632 1093768197 /nfs/dbraw/zinc/76/81/97/1093768197.db2.gz RGLOVLBMFIYKFR-HOTGVXAUSA-N 2 0 327.488 2.389 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001448715051 1093787547 /nfs/dbraw/zinc/78/75/47/1093787547.db2.gz ZIUXMMCSWSBNMP-RYRKJORJSA-N 2 0 347.503 2.362 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001440537259 1093800814 /nfs/dbraw/zinc/80/08/14/1093800814.db2.gz KBXHTOVYEILJSX-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001448777354 1093856635 /nfs/dbraw/zinc/85/66/35/1093856635.db2.gz OHISNOJBBXGOFA-LPHOPBHVSA-N 2 0 346.519 2.447 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC001449090769 1094102979 /nfs/dbraw/zinc/10/29/79/1094102979.db2.gz NLCOOLMRAFFOAK-QGZVFWFLSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001440845390 1094103730 /nfs/dbraw/zinc/10/37/30/1094103730.db2.gz YDMHZRSGTKVFKT-CHWSQXEVSA-N 2 0 338.496 2.252 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)on1 ZINC001440858577 1094119697 /nfs/dbraw/zinc/11/96/97/1094119697.db2.gz MVOLZUISWGKWMS-JKSUJKDBSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001440960670 1094217546 /nfs/dbraw/zinc/21/75/46/1094217546.db2.gz SWYTVVKTLVPKEX-HNNXBMFYSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001449371423 1094340269 /nfs/dbraw/zinc/34/02/69/1094340269.db2.gz ZMFUYFBXCRZEIJ-SBRLYDIBSA-N 2 0 327.900 2.297 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC001441107170 1094417336 /nfs/dbraw/zinc/41/73/36/1094417336.db2.gz HXVYOKPFRPWALG-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@@H](C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1)OC ZINC001441106900 1094417425 /nfs/dbraw/zinc/41/74/25/1094417425.db2.gz POKQFWZCRSYJJZ-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC001441201169 1094561757 /nfs/dbraw/zinc/56/17/57/1094561757.db2.gz LRBFXGCJGQPLRU-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248327 1094638873 /nfs/dbraw/zinc/63/88/73/1094638873.db2.gz ANBSHOQQNTTXGT-UXHICEINSA-N 2 0 343.515 2.228 10 0 EEAERP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441367387 1094893395 /nfs/dbraw/zinc/89/33/95/1094893395.db2.gz VMMQPVWBVOEZJG-XSLAGTTESA-N 2 0 339.524 2.016 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441435746 1095044322 /nfs/dbraw/zinc/04/43/22/1095044322.db2.gz DYDGDCCOAUGZQZ-MOPGFXCFSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(O)ccc1Cl ZINC001441501379 1095183773 /nfs/dbraw/zinc/18/37/73/1095183773.db2.gz WJOVGOFNCUXUAA-LRDDRELGSA-N 2 0 339.867 2.076 10 0 EEAERP CO[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001441595965 1095434813 /nfs/dbraw/zinc/43/48/13/1095434813.db2.gz TVALABCBNANPTJ-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)ns2)C1 ZINC001441944234 1096143604 /nfs/dbraw/zinc/14/36/04/1096143604.db2.gz UMQVRHJBDSGORF-CABCVRRESA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001442071851 1096283734 /nfs/dbraw/zinc/28/37/34/1096283734.db2.gz XNZOXOVZZYJGIZ-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1cncs1 ZINC001442119941 1096354519 /nfs/dbraw/zinc/35/45/19/1096354519.db2.gz OGJMZAMIQWKIOW-ZDUSSCGKSA-N 2 0 332.473 2.113 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001442400835 1096721853 /nfs/dbraw/zinc/72/18/53/1096721853.db2.gz IIVXCWORIKWJMM-LJQANCHMSA-N 2 0 329.488 2.193 10 0 EEAERP C[C@@H]([NH2+]CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccc(F)cc1 ZINC001443088130 1097502288 /nfs/dbraw/zinc/50/22/88/1097502288.db2.gz FLQBIPLJTRPLJS-BEFAXECRSA-N 2 0 333.451 2.421 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001443203709 1097654145 /nfs/dbraw/zinc/65/41/45/1097654145.db2.gz YNTNNDKJHGCNQU-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@H](CCNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001443267266 1097748107 /nfs/dbraw/zinc/74/81/07/1097748107.db2.gz QGNCGDNESMYENU-ROUUACIJSA-N 2 0 344.503 2.060 10 0 EEAERP CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001444024252 1098542007 /nfs/dbraw/zinc/54/20/07/1098542007.db2.gz VHHHIEVSROGDPQ-AEFFLSMTSA-N 2 0 347.503 2.343 10 0 EEAERP CC[NH+](CC)CC[C@H](C)NC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001479605250 1098627788 /nfs/dbraw/zinc/62/77/88/1098627788.db2.gz STSRDGLLTRTPDO-DLBZAZTESA-N 2 0 326.529 2.480 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[NH+](CC=C(C)C)C1 ZINC001479616311 1098641793 /nfs/dbraw/zinc/64/17/93/1098641793.db2.gz CLSYGFGRPZIGAH-VJANTYMQSA-N 2 0 333.520 2.463 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1C/C=C/Cl ZINC001479618985 1098644363 /nfs/dbraw/zinc/64/43/63/1098644363.db2.gz WJLAFDDQQVGFQE-HXVKZDEKSA-N 2 0 339.911 2.250 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1cnn(C)c1 ZINC001479856023 1099158629 /nfs/dbraw/zinc/15/86/29/1099158629.db2.gz KHZXASUFJLWYQJ-SFHVURJKSA-N 2 0 349.523 2.011 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001480020408 1099499276 /nfs/dbraw/zinc/49/92/76/1099499276.db2.gz HRRFOIFFRMNLNR-VQTJNVASSA-N 2 0 341.499 2.321 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001480088412 1099647055 /nfs/dbraw/zinc/64/70/55/1099647055.db2.gz YXAIIBWNNBITOZ-ZIAGYGMSSA-N 2 0 335.414 2.061 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001444777476 1099681370 /nfs/dbraw/zinc/68/13/70/1099681370.db2.gz RECOVSDSAACUTK-OAHLLOKOSA-N 2 0 336.480 2.088 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001480145306 1099712753 /nfs/dbraw/zinc/71/27/53/1099712753.db2.gz VLUBFJWMHKUKTQ-XLAORIBOSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001444828622 1099775575 /nfs/dbraw/zinc/77/55/75/1099775575.db2.gz PKIYWQZOEUAMPJ-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001480294912 1100009087 /nfs/dbraw/zinc/00/90/87/1100009087.db2.gz RPXGAWGKBLFMCH-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001445070908 1100275128 /nfs/dbraw/zinc/27/51/28/1100275128.db2.gz IMHNUNIAIAEUQQ-MRXNPFEDSA-N 2 0 345.487 2.242 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1F ZINC001480471303 1100277885 /nfs/dbraw/zinc/27/78/85/1100277885.db2.gz DGRBEBJFMGVXJE-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001496252264 1100821518 /nfs/dbraw/zinc/82/15/18/1100821518.db2.gz XNQWPOSQNZYFPB-ZIAGYGMSSA-N 2 0 337.430 2.496 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001496252263 1100821658 /nfs/dbraw/zinc/82/16/58/1100821658.db2.gz XNQWPOSQNZYFPB-UONOGXRCSA-N 2 0 337.430 2.496 10 0 EEAERP COCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001495177405 1100850836 /nfs/dbraw/zinc/85/08/36/1100850836.db2.gz CNABBFASOQJJND-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)o1 ZINC001495294510 1100993416 /nfs/dbraw/zinc/99/34/16/1100993416.db2.gz SRZNHNHOPXVNJX-DNVCBOLYSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297083 1100997399 /nfs/dbraw/zinc/99/73/99/1100997399.db2.gz DVJNYLQFLALMKY-FOIQADDNSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001495381182 1101101306 /nfs/dbraw/zinc/10/13/06/1101101306.db2.gz SWYURTWAOBDZEI-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1nc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)sc1C ZINC001446621697 1101127981 /nfs/dbraw/zinc/12/79/81/1101127981.db2.gz YPKFNQDQMNJHOD-QGZVFWFLSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC001495457072 1101168987 /nfs/dbraw/zinc/16/89/87/1101168987.db2.gz BGPKUOOLNBHJLB-JFIYKMOQSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)c(C)o1 ZINC001496573349 1101173167 /nfs/dbraw/zinc/17/31/67/1101173167.db2.gz GGUBXCXRCSIJLF-DOTOQJQBSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001495683867 1101433991 /nfs/dbraw/zinc/43/39/91/1101433991.db2.gz SKXIPSHBEDLBDN-UKRRQHHQSA-N 2 0 338.521 2.168 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc2cncs2)C1 ZINC001495727863 1101491107 /nfs/dbraw/zinc/49/11/07/1101491107.db2.gz VFJAIOKQBWVWQP-CABCVRRESA-N 2 0 338.521 2.107 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCc2ccccc2)C1 ZINC001446939321 1101625734 /nfs/dbraw/zinc/62/57/34/1101625734.db2.gz HGHDWHPGDGHZPH-PKOBYXMFSA-N 2 0 331.504 2.396 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001446965885 1101674605 /nfs/dbraw/zinc/67/46/05/1101674605.db2.gz COVVXHUBOWEUPM-ZFWWWQNUSA-N 2 0 331.451 2.058 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCC(C)(C)C)C1 ZINC001447042004 1101833536 /nfs/dbraw/zinc/83/35/36/1101833536.db2.gz MXWLAIVUAWZWFT-LJQANCHMSA-N 2 0 341.540 2.098 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001447105012 1101999680 /nfs/dbraw/zinc/99/96/80/1101999680.db2.gz YASOAZQKTRAQBV-UHFFFAOYSA-N 2 0 335.414 2.203 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497188972 1102095723 /nfs/dbraw/zinc/09/57/23/1102095723.db2.gz PNUDBCZLUVEGGP-AWEZNQCLSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001496156460 1102148426 /nfs/dbraw/zinc/14/84/26/1102148426.db2.gz YRLUIIYGZPAOKF-SJORKVTESA-N 2 0 343.515 2.454 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496168716 1102162166 /nfs/dbraw/zinc/16/21/66/1102162166.db2.gz HFUJPODPDBVZKZ-GJZGRUSLSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001497272248 1102231447 /nfs/dbraw/zinc/23/14/47/1102231447.db2.gz QVCAOOAXMAVPCS-OLZOCXBDSA-N 2 0 338.521 2.086 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001497303149 1102284374 /nfs/dbraw/zinc/28/43/74/1102284374.db2.gz FRWDQNKOZNEVCM-RDJZCZTQSA-N 2 0 333.476 2.021 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497404646 1102438139 /nfs/dbraw/zinc/43/81/39/1102438139.db2.gz ZEIUAYWHERNTPG-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497424132 1102468091 /nfs/dbraw/zinc/46/80/91/1102468091.db2.gz ZOPYQWFRIQAYMC-CQSZACIVSA-N 2 0 333.411 2.067 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCC2(C[NH+](CCC3CC3)C2)O1 ZINC001447403076 1102596185 /nfs/dbraw/zinc/59/61/85/1102596185.db2.gz PSMKRHSDRQVJTP-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001447424069 1102628359 /nfs/dbraw/zinc/62/83/59/1102628359.db2.gz FNLVGNBRXVHAMW-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2Cc3ccccc3C[NH+]2CCCF)C1 ZINC001447431568 1102643319 /nfs/dbraw/zinc/64/33/19/1102643319.db2.gz OTPOLPDAWAQETQ-APWZRJJASA-N 2 0 347.478 2.231 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2Cc3ccccc3C[NH+]2CCCF)C1 ZINC001447431572 1102643645 /nfs/dbraw/zinc/64/36/45/1102643645.db2.gz OTPOLPDAWAQETQ-LPHOPBHVSA-N 2 0 347.478 2.231 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001497675525 1102883008 /nfs/dbraw/zinc/88/30/08/1102883008.db2.gz RJGYIHQPMQWLNR-ARJAWSKDSA-N 2 0 343.393 2.419 10 0 EEAERP Cc1nc(CNC/C=C/CNC(=O)C[C@@H](C)n2ccnc2)sc1C ZINC001497694753 1102918578 /nfs/dbraw/zinc/91/85/78/1102918578.db2.gz WEFMXZDKWGWVRR-MUBLQREKSA-N 2 0 347.488 2.370 10 0 EEAERP CCn1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001447837676 1103417724 /nfs/dbraw/zinc/41/77/24/1103417724.db2.gz CKLQZZFBHUYFLI-HZPDHXFCSA-N 2 0 349.523 2.150 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447901623 1103554012 /nfs/dbraw/zinc/55/40/12/1103554012.db2.gz MCEXOMWVEKDWNZ-CVEARBPZSA-N 2 0 347.503 2.328 10 0 EEAERP C[N@H+](CCc1cccs1)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494179942 1103655772 /nfs/dbraw/zinc/65/57/72/1103655772.db2.gz HJNUTLCHLPAGSE-JKSUJKDBSA-N 2 0 335.517 2.023 10 0 EEAERP CN(CC(C)(C)C[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001447993154 1103758335 /nfs/dbraw/zinc/75/83/35/1103758335.db2.gz PITCALWDXNHCGL-GJZGRUSLSA-N 2 0 345.478 2.448 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1CN(Cc2cccc(F)c2Cl)C1 ZINC001494633327 1104217577 /nfs/dbraw/zinc/21/75/77/1104217577.db2.gz PXNXVHSKCYHDRY-UHFFFAOYSA-N 2 0 341.858 2.367 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCCCOC)C2)CC[N@@H+]1C ZINC001494902214 1104531203 /nfs/dbraw/zinc/53/12/03/1104531203.db2.gz ZONBHHFAEIHCDE-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccc(C)cc1 ZINC001494982062 1104625795 /nfs/dbraw/zinc/62/57/95/1104625795.db2.gz VRICTJHZSRVNSH-UXHICEINSA-N 2 0 343.515 2.364 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1oc(C)nc1C ZINC001494984177 1104628042 /nfs/dbraw/zinc/62/80/42/1104628042.db2.gz DRLSJUBNXLFLAH-HOTGVXAUSA-N 2 0 336.480 2.149 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ncccc1C ZINC001495014647 1104657429 /nfs/dbraw/zinc/65/74/29/1104657429.db2.gz ZJTMEWASMLYUPW-PKOBYXMFSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(C)ccc1OC ZINC001495059508 1104696197 /nfs/dbraw/zinc/69/61/97/1104696197.db2.gz UYPHYOUHYIJLQF-SJLPKXTDSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001480597679 1106737149 /nfs/dbraw/zinc/73/71/49/1106737149.db2.gz RSWCDIYSULMGNP-ZDUSSCGKSA-N 2 0 338.521 2.230 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498042885 1106825995 /nfs/dbraw/zinc/82/59/95/1106825995.db2.gz CQKMZAMETZUQHU-KSSFIOAISA-N 2 0 349.906 2.319 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ns2)C1 ZINC001498098950 1106917517 /nfs/dbraw/zinc/91/75/17/1106917517.db2.gz GTNWQBXPXDVLNH-GJZGRUSLSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1)[NH+]1CCCCCC1 ZINC001498131969 1106965406 /nfs/dbraw/zinc/96/54/06/1106965406.db2.gz HVYMTLCRAJZPRK-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001480772766 1107087411 /nfs/dbraw/zinc/08/74/11/1107087411.db2.gz OSYCWMZSSFXLOC-QFBILLFUSA-N 2 0 346.519 2.221 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001480813917 1107163940 /nfs/dbraw/zinc/16/39/40/1107163940.db2.gz PCAOYTHCSKGOJN-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ncccc1C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498358284 1107376839 /nfs/dbraw/zinc/37/68/39/1107376839.db2.gz YCYQXHJCBCAARJ-OAHLLOKOSA-N 2 0 332.492 2.201 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493212941 1107694719 /nfs/dbraw/zinc/69/47/19/1107694719.db2.gz QDYLHYXNSICUAJ-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001493254861 1107780940 /nfs/dbraw/zinc/78/09/40/1107780940.db2.gz KMJJEAGXQLLCSO-CVEARBPZSA-N 2 0 335.517 2.071 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001493255574 1107783894 /nfs/dbraw/zinc/78/38/94/1107783894.db2.gz WHCHFYNRWPYUQL-QNFQMBCCSA-N 2 0 341.499 2.480 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001498876742 1108262774 /nfs/dbraw/zinc/26/27/74/1108262774.db2.gz ROGFJJKIOVHQIO-MRXNPFEDSA-N 2 0 336.505 2.004 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(OC)c1 ZINC001498899394 1108297780 /nfs/dbraw/zinc/29/77/80/1108297780.db2.gz TXSYENICCXKCKE-MJGOQNOKSA-N 2 0 347.503 2.364 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(OC)c1 ZINC001498899395 1108298011 /nfs/dbraw/zinc/29/80/11/1108298011.db2.gz TXSYENICCXKCKE-PKOBYXMFSA-N 2 0 347.503 2.364 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001493586091 1108359443 /nfs/dbraw/zinc/35/94/43/1108359443.db2.gz FBTVYXYAQRKBMX-SFHVURJKSA-N 2 0 335.492 2.138 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1C[C@H]1CCC(F)(F)C1 ZINC001499107322 1108597727 /nfs/dbraw/zinc/59/77/27/1108597727.db2.gz QJXLIYLDSNIBCJ-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493762594 1108637967 /nfs/dbraw/zinc/63/79/67/1108637967.db2.gz VNICFCKFOCVFNE-ZAOIQFLMSA-N 2 0 329.488 2.480 10 0 EEAERP OCC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1CO ZINC001473893222 1110584515 /nfs/dbraw/zinc/58/45/15/1110584515.db2.gz OJWKWULAKOINLL-PMACEKPBSA-N 2 0 332.488 2.095 10 0 EEAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479294871 1110677335 /nfs/dbraw/zinc/67/73/35/1110677335.db2.gz JUZFSKYVIPCWHH-ZAWLATJESA-N 2 0 335.536 2.495 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001479345930 1110683964 /nfs/dbraw/zinc/68/39/64/1110683964.db2.gz COIWCUANCAZRMW-RHNCMZPLSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421665 1112279113 /nfs/dbraw/zinc/27/91/13/1112279113.db2.gz OYVLESROSUVDST-LSDHHAIUSA-N 2 0 333.451 2.467 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001499897173 1112532183 /nfs/dbraw/zinc/53/21/83/1112532183.db2.gz UFMSTNVYWRHCTK-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP COC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001499909695 1112537084 /nfs/dbraw/zinc/53/70/84/1112537084.db2.gz YVNCFDALONZPLE-RDJZCZTQSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001499915546 1112539454 /nfs/dbraw/zinc/53/94/54/1112539454.db2.gz DGEADQKIMMBRLR-ZDUSSCGKSA-N 2 0 335.414 2.394 10 0 EEAERP CO[C@H](C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1)C1CCC1 ZINC001500012240 1112578720 /nfs/dbraw/zinc/57/87/20/1112578720.db2.gz AZDREZNRHFGJNS-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCF)C1CCCC1)C12CCC[NH+]1CCC2 ZINC001500096774 1112614973 /nfs/dbraw/zinc/61/49/73/1112614973.db2.gz LBRQKCBPYNMMAA-INIZCTEOSA-N 2 0 325.472 2.239 10 0 EEAERP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001500496696 1112888106 /nfs/dbraw/zinc/88/81/06/1112888106.db2.gz XGFLTWQQRCNHFS-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001500519947 1112912160 /nfs/dbraw/zinc/91/21/60/1112912160.db2.gz VQGUXWAFJYGTGW-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001501604788 1113397014 /nfs/dbraw/zinc/39/70/14/1113397014.db2.gz YLRPVKDLVHVIHK-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001501651236 1113415965 /nfs/dbraw/zinc/41/59/65/1113415965.db2.gz MPUHNXOZRBUBAV-PLHDSQEVSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505760103 1114174087 /nfs/dbraw/zinc/17/40/87/1114174087.db2.gz GOIFEGDLAJMAJX-IAGOWNOFSA-N 2 0 332.492 2.249 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cnc(C)o1)NC(=O)C1CC[NH+](C)CC1 ZINC001506542867 1114687104 /nfs/dbraw/zinc/68/71/04/1114687104.db2.gz FIYGTYZMYHKVJE-MRXNPFEDSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cncs2)CC[N@@H+]1C ZINC001506922398 1114975682 /nfs/dbraw/zinc/97/56/82/1114975682.db2.gz MSGLOCRTFJDALA-VNQPRFMTSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001506921811 1114975727 /nfs/dbraw/zinc/97/57/27/1114975727.db2.gz KJBGFZGNJZZMEP-YTQUADARSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001506938640 1114988615 /nfs/dbraw/zinc/98/86/15/1114988615.db2.gz UVSLFBGXWWCAHZ-KBPBESRZSA-N 2 0 338.521 2.168 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccccn2)C1 ZINC001507111710 1115114345 /nfs/dbraw/zinc/11/43/45/1115114345.db2.gz DYLLGKJZUIAQCT-SJORKVTESA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507299716 1115180830 /nfs/dbraw/zinc/18/08/30/1115180830.db2.gz WWISCTDFJRBYMO-CRAIPNDOSA-N 2 0 348.466 2.176 10 0 EEAERP COCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507318032 1115189428 /nfs/dbraw/zinc/18/94/28/1115189428.db2.gz GLLQKSWJIMWIEG-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001507426052 1115262358 /nfs/dbraw/zinc/26/23/58/1115262358.db2.gz DYHHKRZYZQYFAJ-SJORKVTESA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001508066429 1115409372 /nfs/dbraw/zinc/40/93/72/1115409372.db2.gz QHDQTTVIOIKONN-LPRNFTRESA-N 2 0 327.900 2.297 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567943217 1124197698 /nfs/dbraw/zinc/19/76/98/1124197698.db2.gz ZQEPGQKFVRNSRP-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567973318 1124211962 /nfs/dbraw/zinc/21/19/62/1124211962.db2.gz DLKXQCUEPWEZRP-GJZGRUSLSA-N 2 0 338.883 2.204 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCc1ccccc1F)C1CC1 ZINC001568015947 1124230959 /nfs/dbraw/zinc/23/09/59/1124230959.db2.gz GLELWFSWBZTUBD-ICSRJNTNSA-N 2 0 347.478 2.337 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001568109684 1124307240 /nfs/dbraw/zinc/30/72/40/1124307240.db2.gz FBNCZEFQJGERLW-IYARVYRRSA-N 2 0 339.524 2.160 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001568207521 1124354744 /nfs/dbraw/zinc/35/47/44/1124354744.db2.gz BPCDZZBBPNKUGL-FUHWJXTLSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2cccnc2)CC1 ZINC001568392382 1124462806 /nfs/dbraw/zinc/46/28/06/1124462806.db2.gz ODWLLRQIJKQJRG-LJQANCHMSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001568712988 1124729300 /nfs/dbraw/zinc/72/93/00/1124729300.db2.gz ABIKWQSCIPVQRJ-KRWDZBQOSA-N 2 0 332.492 2.250 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568866831 1124892994 /nfs/dbraw/zinc/89/29/94/1124892994.db2.gz YAQCVPGDCBFCEH-KJPDOMRESA-N 2 0 338.883 2.083 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568929390 1124960968 /nfs/dbraw/zinc/96/09/68/1124960968.db2.gz ZIHXIUIYORBEIP-VOFKWLDRSA-N 2 0 344.503 2.415 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001568952043 1124987165 /nfs/dbraw/zinc/98/71/65/1124987165.db2.gz UOXJMWHNCLBPAP-QIGIYGOBSA-N 2 0 345.462 2.417 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001569012072 1125040275 /nfs/dbraw/zinc/04/02/75/1125040275.db2.gz LLMLVYCOTWVJIN-SZVBFZGTSA-N 2 0 329.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001565878267 1125447655 /nfs/dbraw/zinc/44/76/55/1125447655.db2.gz HSOBEOCSTXNAJO-BRWVUGGUSA-N 2 0 335.517 2.117 10 0 EEAERP C[NH+](C)CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000481042827 282082057 /nfs/dbraw/zinc/08/20/57/282082057.db2.gz WFMLTAXPKCVRJM-UHFFFAOYSA-N 2 0 333.520 2.345 10 0 EEAERP C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000374734138 299082899 /nfs/dbraw/zinc/08/28/99/299082899.db2.gz NUPGMEDWOLVYFE-INIZCTEOSA-N 2 0 334.508 2.154 10 0 EEAERP CN(C(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000416155200 239085803 /nfs/dbraw/zinc/08/58/03/239085803.db2.gz COLWNWVTVXZGGX-IBGZPJMESA-N 2 0 327.472 2.130 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422714720 240187531 /nfs/dbraw/zinc/18/75/31/240187531.db2.gz LKNRDTAHFPDDKC-BEFAXECRSA-N 2 0 345.487 2.420 10 0 EEAERP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782928 240221803 /nfs/dbraw/zinc/22/18/03/240221803.db2.gz GVXFCEZDPUGXCQ-MOPGFXCFSA-N 2 0 345.487 2.056 10 0 EEAERP CCC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C ZINC000451414794 243105261 /nfs/dbraw/zinc/10/52/61/243105261.db2.gz DSEPIJSNTVWLHL-DLBZAZTESA-N 2 0 341.540 2.264 10 0 EEAERP C[NH2+]C[C@H](C)C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000262625321 245075228 /nfs/dbraw/zinc/07/52/28/245075228.db2.gz BHKAXZGPKUTPSP-GVDBMIGSSA-N 2 0 331.504 2.457 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000154538432 224268047 /nfs/dbraw/zinc/26/80/47/224268047.db2.gz XLQXUQPERRTFKP-QZTJIDSGSA-N 2 0 347.503 2.119 10 0 EEAERP Cc1ccc(O)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000271227494 256222350 /nfs/dbraw/zinc/22/23/50/256222350.db2.gz RSPDOIQCXWPGMG-UHFFFAOYSA-N 2 0 332.492 2.086 10 0 EEAERP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccn2c[nH+]cc2c1 ZINC000328635107 258026642 /nfs/dbraw/zinc/02/66/42/258026642.db2.gz ULRDYJISUPEZDL-HKUYNNGSSA-N 2 0 349.438 2.494 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000111470151 142361379 /nfs/dbraw/zinc/36/13/79/142361379.db2.gz BDTWIWHGBGTRAA-QGZVFWFLSA-N 2 0 345.491 2.224 10 0 EEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000190926493 152230371 /nfs/dbraw/zinc/23/03/71/152230371.db2.gz YTXSDOJFHBABLI-HFCFLWKCSA-N 2 0 349.475 2.140 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000262796201 152319254 /nfs/dbraw/zinc/31/92/54/152319254.db2.gz NMPGBHNVHAXKPN-QGPMSJSTSA-N 2 0 333.451 2.152 10 0 EEAERP C[C@@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354164080 153147442 /nfs/dbraw/zinc/14/74/42/153147442.db2.gz OVCVPWXWADXNHE-UXDRXVOSSA-N 2 0 325.460 2.452 10 0 EEAERP C[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000105091432 159295553 /nfs/dbraw/zinc/29/55/53/159295553.db2.gz FZCYPZYFRGQLAR-UHFFFAOYSA-N 2 0 344.503 2.423 10 0 EEAERP Cn1cc(-c2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)on2)cn1 ZINC000184982927 160023738 /nfs/dbraw/zinc/02/37/38/160023738.db2.gz HSAOEOALATZNFS-UHFFFAOYSA-N 2 0 329.448 2.383 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245659653 160246843 /nfs/dbraw/zinc/24/68/43/160246843.db2.gz PKDATRRNAZMNAT-BZSNNMDCSA-N 2 0 330.476 2.215 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000246523429 160282640 /nfs/dbraw/zinc/28/26/40/160282640.db2.gz XMBIYSRPAGDEMV-KSZLIROESA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000369998383 166372935 /nfs/dbraw/zinc/37/29/35/166372935.db2.gz RPZZIZUZXBQTMH-QGZVFWFLSA-N 2 0 329.488 2.451 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000376693615 167376630 /nfs/dbraw/zinc/37/66/30/167376630.db2.gz BHXSTVLMXKAAOT-IPELMVKDSA-N 2 0 342.487 2.298 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000271578468 268840161 /nfs/dbraw/zinc/84/01/61/268840161.db2.gz ZYAVKNDHGKOBQA-PKOBYXMFSA-N 2 0 332.488 2.276 10 0 EEAERP CC(C)[NH+](CCC[NH2+]CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000278494721 269233977 /nfs/dbraw/zinc/23/39/77/269233977.db2.gz MDLNPMADWNJQGM-UHFFFAOYSA-N 2 0 331.460 2.381 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000279123426 269263623 /nfs/dbraw/zinc/26/36/23/269263623.db2.gz DCYHVNRUGZBZLE-PBWTXFEYSA-N 2 0 329.488 2.353 10 0 EEAERP C[NH+](C)CC[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000278568268 274374748 /nfs/dbraw/zinc/37/47/48/274374748.db2.gz CISAQHYDWWZNJC-INIZCTEOSA-N 2 0 331.460 2.239 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000289475458 275119298 /nfs/dbraw/zinc/11/92/98/275119298.db2.gz XJPHTSZPVGRVBO-SFTDATJTSA-N 2 0 344.547 2.438 10 0 EEAERP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261895581 276792589 /nfs/dbraw/zinc/79/25/89/276792589.db2.gz HANAHIQKAZMFJR-QRVBRYPASA-N 2 0 333.476 2.196 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000248134454 277165768 /nfs/dbraw/zinc/16/57/68/277165768.db2.gz XDLOQVMYUVJJNO-QYZOEREBSA-N 2 0 340.471 2.088 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000245628615 277167016 /nfs/dbraw/zinc/16/70/16/277167016.db2.gz HERHPYHOMMNWQP-MNEFBYGVSA-N 2 0 342.487 2.215 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000458936303 278979912 /nfs/dbraw/zinc/97/99/12/278979912.db2.gz NCNYTCQEYZALOE-ROUUACIJSA-N 2 0 334.508 2.153 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2conc2C)CC1 ZINC000293983214 293343312 /nfs/dbraw/zinc/34/33/12/293343312.db2.gz DWDUHDQQTOHJRV-UHFFFAOYSA-N 2 0 328.460 2.410 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000416808216 313321032 /nfs/dbraw/zinc/32/10/32/313321032.db2.gz HVGYFHWYRWLVBQ-OAGGEKHMSA-N 2 0 334.464 2.104 10 0 EEAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416834048 313329081 /nfs/dbraw/zinc/32/90/81/313329081.db2.gz CZXONVSCSWHPCA-ICSRJNTNSA-N 2 0 342.487 2.046 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416843308 313332928 /nfs/dbraw/zinc/33/29/28/313332928.db2.gz OKOSAUUUFSLFTQ-OWCLPIDISA-N 2 0 348.516 2.278 10 0 EEAERP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000416874254 313344088 /nfs/dbraw/zinc/34/40/88/313344088.db2.gz PBOYIJMVHXLBSC-YJBOKZPZSA-N 2 0 330.476 2.161 10 0 EEAERP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000416892049 313351377 /nfs/dbraw/zinc/35/13/77/313351377.db2.gz AGWPKHUGONQRHO-KRWDZBQOSA-N 2 0 344.503 2.471 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000417025172 313400157 /nfs/dbraw/zinc/40/01/57/313400157.db2.gz XTKCGMPQXODXKV-PKOBYXMFSA-N 2 0 336.524 2.282 10 0 EEAERP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417159644 313437338 /nfs/dbraw/zinc/43/73/38/313437338.db2.gz CQCCABWNQVIGFZ-UJJTZGENSA-N 2 0 348.466 2.353 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418232440 313757810 /nfs/dbraw/zinc/75/78/10/313757810.db2.gz DQULLVPEWHHXER-ZWKOTPCHSA-N 2 0 332.492 2.496 10 0 EEAERP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418344547 313788394 /nfs/dbraw/zinc/78/83/94/313788394.db2.gz SCPHHLRTNKHANN-ZWKOTPCHSA-N 2 0 336.524 2.284 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418365486 313794329 /nfs/dbraw/zinc/79/43/29/313794329.db2.gz XUUAVQNJYFENDE-CABCVRRESA-N 2 0 340.418 2.106 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418550574 313843736 /nfs/dbraw/zinc/84/37/36/313843736.db2.gz LEJXUVGPGZDLCK-APWZRJJASA-N 2 0 344.503 2.290 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000418644840 313868342 /nfs/dbraw/zinc/86/83/42/313868342.db2.gz CQBHNJNREDMVRK-QZTJIDSGSA-N 2 0 328.460 2.122 10 0 EEAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418699556 313883979 /nfs/dbraw/zinc/88/39/79/313883979.db2.gz NYPTVNWSFSDJPI-ZIAGYGMSSA-N 2 0 326.510 2.337 10 0 EEAERP CC1=CC[NH+](CCNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000547296218 318276648 /nfs/dbraw/zinc/27/66/48/318276648.db2.gz MOKQVSUGZYKUKM-UHFFFAOYSA-N 2 0 336.524 2.400 10 0 EEAERP CN(CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cc[nH+]cc1 ZINC000561500643 318845636 /nfs/dbraw/zinc/84/56/36/318845636.db2.gz RWSKBBYSJCSQFN-GOSISDBHSA-N 2 0 330.476 2.385 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808928 318933433 /nfs/dbraw/zinc/93/34/33/318933433.db2.gz ZFXKOXJEZXMPLP-PZJWPPBQSA-N 2 0 337.467 2.296 10 0 EEAERP CN(C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563727631 319040483 /nfs/dbraw/zinc/04/04/83/319040483.db2.gz WAFFXRWGAXNCHS-HKUYNNGSSA-N 2 0 327.472 2.204 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Cc1ccc(F)cc1C ZINC000564988503 319135887 /nfs/dbraw/zinc/13/58/87/319135887.db2.gz ANLHLNCGOKTWKA-SZMVWBNQSA-N 2 0 335.467 2.288 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000566682088 319311412 /nfs/dbraw/zinc/31/14/12/319311412.db2.gz NVVZAGNZYXAAAV-NONVJHHQSA-N 2 0 333.451 2.342 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000566850898 319326866 /nfs/dbraw/zinc/32/68/66/319326866.db2.gz VVAWREWCYZZKNB-GPANFISMSA-N 2 0 326.506 2.336 10 0 EEAERP O=C(C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)N1CC[NH2+]CC1 ZINC000567579837 319392556 /nfs/dbraw/zinc/39/25/56/319392556.db2.gz KLMKMLQCPJUITK-LJQANCHMSA-N 2 0 341.430 2.131 10 0 EEAERP [NH3+]C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000575236179 320098036 /nfs/dbraw/zinc/09/80/36/320098036.db2.gz KIROHPVNSPRFKS-OALUTQOASA-N 2 0 338.455 2.376 10 0 EEAERP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)C[NH2+]C ZINC000576351072 320164082 /nfs/dbraw/zinc/16/40/82/320164082.db2.gz QHKCABGCSVQICB-TXPKVOOTSA-N 2 0 346.519 2.304 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000336709459 465041966 /nfs/dbraw/zinc/04/19/66/465041966.db2.gz JVXIELCLOMNTJZ-WOJBJXKFSA-N 2 0 332.488 2.228 10 0 EEAERP CN(C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347903159 465299369 /nfs/dbraw/zinc/29/93/69/465299369.db2.gz WOGGYWGINNHFMS-OALUTQOASA-N 2 0 327.472 2.346 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000128859574 462676047 /nfs/dbraw/zinc/67/60/47/462676047.db2.gz LDJWHTPAGOQRTH-NXHRZFHOSA-N 2 0 344.503 2.084 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000128859088 462676094 /nfs/dbraw/zinc/67/60/94/462676094.db2.gz LDJWHTPAGOQRTH-NJAFHUGGSA-N 2 0 344.503 2.084 10 0 EEAERP CCn1ccnc1C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000075131264 462682232 /nfs/dbraw/zinc/68/22/32/462682232.db2.gz SJFUPSZTBLFROT-LJQANCHMSA-N 2 0 342.487 2.438 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000075831697 462760863 /nfs/dbraw/zinc/76/08/63/462760863.db2.gz GGJNVVCUSMWIQG-SFHVURJKSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000131030107 462789096 /nfs/dbraw/zinc/78/90/96/462789096.db2.gz SGEMYQOGDYTXJS-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[S@](C)=O ZINC000090515482 462794853 /nfs/dbraw/zinc/79/48/53/462794853.db2.gz POSRCWVGQSPPJP-ZCCHDVMBSA-N 2 0 326.506 2.435 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091281274 462869275 /nfs/dbraw/zinc/86/92/75/462869275.db2.gz FCXOGHJZPOXTOV-AWEZNQCLSA-N 2 0 347.484 2.246 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000052523473 463085335 /nfs/dbraw/zinc/08/53/35/463085335.db2.gz UCYASJPLNOBTPN-GOSISDBHSA-N 2 0 332.492 2.420 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000157720693 463161192 /nfs/dbraw/zinc/16/11/92/463161192.db2.gz YTAXDCKPMWDPMH-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000139141864 463319165 /nfs/dbraw/zinc/31/91/65/463319165.db2.gz DLYISJVWDUZFJU-KRWDZBQOSA-N 2 0 333.476 2.231 10 0 EEAERP Cc1ccoc1-c1nnc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000069778676 463324742 /nfs/dbraw/zinc/32/47/42/463324742.db2.gz NPBGXJPGCAXYOW-AWEZNQCLSA-N 2 0 348.447 2.163 10 0 EEAERP O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000151328203 463512474 /nfs/dbraw/zinc/51/24/74/463512474.db2.gz IXRXIZIMXJUXLC-UXHICEINSA-N 2 0 332.488 2.372 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC(=O)N(C)C)CC1 ZINC000151766080 463588229 /nfs/dbraw/zinc/58/82/29/463588229.db2.gz CBZREMJVONWGAQ-UHFFFAOYSA-N 2 0 346.519 2.177 10 0 EEAERP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)C[C@H]3CCCO3)ccn2)CC1 ZINC000170040849 463674348 /nfs/dbraw/zinc/67/43/48/463674348.db2.gz IFGJQNONMXYMPW-SJLPKXTDSA-N 2 0 332.492 2.271 10 0 EEAERP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268516565 463777063 /nfs/dbraw/zinc/77/70/63/463777063.db2.gz LLXKZSCININCTD-SFHVURJKSA-N 2 0 332.492 2.244 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522832093 468376981 /nfs/dbraw/zinc/37/69/81/468376981.db2.gz GVIKMXGNASQYKY-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000171192912 463809525 /nfs/dbraw/zinc/80/95/25/463809525.db2.gz QFXISJVHZNEAMU-MOPGFXCFSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194348345 463842776 /nfs/dbraw/zinc/84/27/76/463842776.db2.gz HIZNTPOPMYUDIG-GOSISDBHSA-N 2 0 329.488 2.150 10 0 EEAERP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccc2c(c1)OCO2 ZINC000261910077 463896305 /nfs/dbraw/zinc/89/63/05/463896305.db2.gz IWRGXPVYDYEWTG-BBWFWOEESA-N 2 0 346.471 2.440 10 0 EEAERP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261958297 463911325 /nfs/dbraw/zinc/91/13/25/463911325.db2.gz PENVMORMPHXHGN-OTWHNJEPSA-N 2 0 344.503 2.319 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000262082489 463941915 /nfs/dbraw/zinc/94/19/15/463941915.db2.gz QQFHFSCGXFMOFF-CQSZACIVSA-N 2 0 347.484 2.246 10 0 EEAERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccccc2)cc1OC ZINC000263246573 464070519 /nfs/dbraw/zinc/07/05/19/464070519.db2.gz PIKCQKCYZWPNQH-SJLPKXTDSA-N 2 0 342.439 2.041 10 0 EEAERP CCc1nccn1[C@H]1CCCN(C(=O)NCCCn2ccnc2)C1 ZINC000172432176 464079605 /nfs/dbraw/zinc/07/96/05/464079605.db2.gz RXYDSXCXMBDCIY-HNNXBMFYSA-N 2 0 330.436 2.079 10 0 EEAERP Cn1c2c(nc1[C@H]1CCCN1C(=O)CCn1ccnc1)CCCC2 ZINC000284466746 464202115 /nfs/dbraw/zinc/20/21/15/464202115.db2.gz BBHOAVHUYZLUKS-MRXNPFEDSA-N 2 0 327.432 2.249 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000263830930 464208720 /nfs/dbraw/zinc/20/87/20/464208720.db2.gz AVSBQCRLUNURLF-HNNXBMFYSA-N 2 0 329.444 2.137 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000174266988 464385707 /nfs/dbraw/zinc/38/57/07/464385707.db2.gz SZECAHBKLJRMJP-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245661785 464502969 /nfs/dbraw/zinc/50/29/69/464502969.db2.gz PYJGGCITLATSMC-BVBHFADKSA-N 2 0 344.503 2.460 10 0 EEAERP C[C@H]([NH2+]CCCN1CCCC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471478 464622823 /nfs/dbraw/zinc/62/28/23/464622823.db2.gz LHBRDNSOKNWXGA-HKUYNNGSSA-N 2 0 329.488 2.499 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248709265 464789809 /nfs/dbraw/zinc/78/98/09/464789809.db2.gz PPAVNMFXBDJRGE-MSOLQXFVSA-N 2 0 332.492 2.415 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000184303511 464963218 /nfs/dbraw/zinc/96/32/18/464963218.db2.gz XXWDBPYBAFZTID-UHFFFAOYSA-N 2 0 339.443 2.189 10 0 EEAERP CCc1cccnc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000356855910 465579272 /nfs/dbraw/zinc/57/92/72/465579272.db2.gz VTASJKCHUVRUAQ-RDJZCZTQSA-N 2 0 334.508 2.387 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000366266382 465622784 /nfs/dbraw/zinc/62/27/84/465622784.db2.gz HFYDKHHFHVCCPD-QUCCMNQESA-N 2 0 331.504 2.209 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000348900395 465863675 /nfs/dbraw/zinc/86/36/75/465863675.db2.gz MUBCOFPYBYQKFB-VQIMIIECSA-N 2 0 329.488 2.233 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)([NH+](C)C)C1 ZINC000349702636 466197276 /nfs/dbraw/zinc/19/72/76/466197276.db2.gz LBGDMWCYWBXFHZ-HHXXYDBFSA-N 2 0 336.524 2.375 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000304962170 466323137 /nfs/dbraw/zinc/32/31/37/466323137.db2.gz MTVYRZIEAGEHOG-AZUAARDMSA-N 2 0 331.504 2.469 10 0 EEAERP C[NH+](C)C1(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000354211410 466380042 /nfs/dbraw/zinc/38/00/42/466380042.db2.gz MTBQJEDGTDWZNU-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP C[C@]1(C[NH2+]C2CCN(C(N)=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088101 466506502 /nfs/dbraw/zinc/50/65/02/466506502.db2.gz PFAANLIRPXSCOQ-LJQANCHMSA-N 2 0 330.476 2.031 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662485803 472125118 /nfs/dbraw/zinc/12/51/18/472125118.db2.gz JTLSMCUSSRBEPU-QFBILLFUSA-N 2 0 327.472 2.411 10 0 EEAERP [NH3+]C1(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000662677303 472201207 /nfs/dbraw/zinc/20/12/07/472201207.db2.gz GIEMPCIWGWLHGQ-UHFFFAOYSA-N 2 0 344.459 2.321 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000411500650 466836711 /nfs/dbraw/zinc/83/67/11/466836711.db2.gz GKLZTACMCLGXDH-IBGZPJMESA-N 2 0 330.476 2.111 10 0 EEAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000373695984 466891654 /nfs/dbraw/zinc/89/16/54/466891654.db2.gz KGUPLZCDCICELU-FQEVSTJZSA-N 2 0 337.552 2.418 10 0 EEAERP C[C@@H](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000417810081 466941423 /nfs/dbraw/zinc/94/14/23/466941423.db2.gz HXLKOROCPUBBOY-YTQUADARSA-N 2 0 344.503 2.433 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417871103 466963971 /nfs/dbraw/zinc/96/39/71/466963971.db2.gz HAYQUHKEFHPDEC-RDJZCZTQSA-N 2 0 332.492 2.483 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418000817 467017848 /nfs/dbraw/zinc/01/78/48/467017848.db2.gz WIVXHJZKFDLRGX-HDMKZQKVSA-N 2 0 334.508 2.175 10 0 EEAERP CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418434916 467110191 /nfs/dbraw/zinc/11/01/91/467110191.db2.gz WEXOXLVTVYTHSU-GUDVDZBRSA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418550577 467127518 /nfs/dbraw/zinc/12/75/18/467127518.db2.gz LEJXUVGPGZDLCK-VQIMIIECSA-N 2 0 344.503 2.290 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)CC1 ZINC000418573435 467130503 /nfs/dbraw/zinc/13/05/03/467130503.db2.gz LJLYUDVNSUDUAV-BZSNNMDCSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418577011 467131114 /nfs/dbraw/zinc/13/11/14/467131114.db2.gz OQWHMLKZWSCSKY-KCXAZCMYSA-N 2 0 338.883 2.240 10 0 EEAERP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418703265 467148310 /nfs/dbraw/zinc/14/83/10/467148310.db2.gz HOXYFTAKQPNMBT-XYJFISCASA-N 2 0 332.492 2.418 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418712532 467149128 /nfs/dbraw/zinc/14/91/28/467149128.db2.gz XHZQYHNJDQHVQJ-CVYDXHPNSA-N 2 0 332.492 2.417 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378165861 467217576 /nfs/dbraw/zinc/21/75/76/467217576.db2.gz KVNDBJLPPMXMIV-PBASOCQRSA-N 2 0 343.515 2.350 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379808116 467371347 /nfs/dbraw/zinc/37/13/47/467371347.db2.gz OLPGBBKVJQGJLQ-UHOSZYNNSA-N 2 0 329.488 2.403 10 0 EEAERP Cc1cc2c(ncnc2N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000420364600 467379444 /nfs/dbraw/zinc/37/94/44/467379444.db2.gz DBRLCVWJZCLVOM-CQSZACIVSA-N 2 0 331.489 2.121 10 0 EEAERP CC(C)[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000414202135 467390795 /nfs/dbraw/zinc/39/07/95/467390795.db2.gz UDHDUYQCLNYNRY-LJQANCHMSA-N 2 0 346.519 2.165 10 0 EEAERP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000414748621 467434174 /nfs/dbraw/zinc/43/41/74/467434174.db2.gz OPJVYVNCMMSQMR-UONOGXRCSA-N 2 0 337.414 2.111 10 0 EEAERP CC1(C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]2CCO[C@H]21 ZINC000397585613 467443497 /nfs/dbraw/zinc/44/34/97/467443497.db2.gz IYFOMXVTTIDRHP-GUDVDZBRSA-N 2 0 344.499 2.417 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414943736 467455708 /nfs/dbraw/zinc/45/57/08/467455708.db2.gz OKVNDQCWKJGAOY-IEBWSBKVSA-N 3 0 330.520 2.306 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000453261032 467472573 /nfs/dbraw/zinc/47/25/73/467472573.db2.gz JSSBSXKEOSFIDV-NRSPTQNISA-N 2 0 345.531 2.333 10 0 EEAERP Cc1ccc(O)c(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000415140361 467499119 /nfs/dbraw/zinc/49/91/19/467499119.db2.gz YWOROSFNIYSBQH-UHFFFAOYSA-N 2 0 340.471 2.179 10 0 EEAERP C[C@@H](Cc1ccoc1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000449108182 467618472 /nfs/dbraw/zinc/61/84/72/467618472.db2.gz PYNNSEHHMOGHCC-KRWDZBQOSA-N 2 0 328.460 2.408 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458124810 467773733 /nfs/dbraw/zinc/77/37/33/467773733.db2.gz FUOMUFBFINWXQP-LJQANCHMSA-N 2 0 336.524 2.236 10 0 EEAERP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514938366 467964560 /nfs/dbraw/zinc/96/45/60/467964560.db2.gz GNXGQJHNQQYCIN-YRNRMSPPSA-N 2 0 327.472 2.428 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1csc2ccccc12 ZINC000531357814 468047002 /nfs/dbraw/zinc/04/70/02/468047002.db2.gz DBRJBRXVWIUSIB-UHFFFAOYSA-N 2 0 333.501 2.396 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000594585196 468627986 /nfs/dbraw/zinc/62/79/86/468627986.db2.gz VCSYMTXLSCDVQB-ARFHVFGLSA-N 2 0 326.481 2.245 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000557481646 468633035 /nfs/dbraw/zinc/63/30/35/468633035.db2.gz PAYIJFHAKOGKMU-DYVFJYSZSA-N 2 0 330.407 2.107 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000571223144 468757028 /nfs/dbraw/zinc/75/70/28/468757028.db2.gz RNIFTDIAMRKQDQ-QWHCGFSZSA-N 2 0 346.397 2.447 10 0 EEAERP OCCN1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000562668912 469027766 /nfs/dbraw/zinc/02/77/66/469027766.db2.gz BHPRFQHDXNNYKG-KRWDZBQOSA-N 2 0 334.460 2.174 10 0 EEAERP Cc1cnc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000563061414 469156037 /nfs/dbraw/zinc/15/60/37/469156037.db2.gz IBHRZPMEERKRPB-UYAOXDASSA-N 2 0 330.520 2.199 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC(CSC)CC2)CC1 ZINC000596655936 469323861 /nfs/dbraw/zinc/32/38/61/469323861.db2.gz ZXKHFCHODOFZEP-UHFFFAOYSA-N 2 0 341.565 2.488 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000625837357 469406160 /nfs/dbraw/zinc/40/61/60/469406160.db2.gz JHLFGWODAROESD-HZPDHXFCSA-N 2 0 345.491 2.091 10 0 EEAERP C[C@]12CCCC[C@H]1C[N@@H+]2CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000626104981 469502046 /nfs/dbraw/zinc/50/20/46/469502046.db2.gz MZTICVGAUDSLGU-PXNSSMCTSA-N 2 0 342.487 2.385 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000629653041 469598825 /nfs/dbraw/zinc/59/88/25/469598825.db2.gz LCESLBBLOAGVSJ-UHFFFAOYSA-N 2 0 330.476 2.216 10 0 EEAERP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623429303 469654766 /nfs/dbraw/zinc/65/47/66/469654766.db2.gz XACPNRRIMMPKQN-YJBOKZPZSA-N 2 0 342.487 2.287 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574717 469699242 /nfs/dbraw/zinc/69/92/42/469699242.db2.gz VNNDLLPUWKXWKY-UXHICEINSA-N 2 0 344.547 2.265 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921359 469754688 /nfs/dbraw/zinc/75/46/88/469754688.db2.gz XXSARPNVTSQYAO-OAGGEKHMSA-N 2 0 334.464 2.246 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000627034356 469796857 /nfs/dbraw/zinc/79/68/57/469796857.db2.gz FZDICMIQGHFAOS-OFQRWUPVSA-N 2 0 334.464 2.293 10 0 EEAERP O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000613861383 469807063 /nfs/dbraw/zinc/80/70/63/469807063.db2.gz NACPECYQBYYTDS-LJQANCHMSA-N 2 0 341.499 2.248 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197250 469840556 /nfs/dbraw/zinc/84/05/56/469840556.db2.gz YHRXREGNBDEMEM-PBHICJAKSA-N 2 0 336.455 2.039 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C[NH2+]1 ZINC000627197531 469840604 /nfs/dbraw/zinc/84/06/04/469840604.db2.gz MSPLZIUSGVJWFR-FGTMMUONSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627202722 469843043 /nfs/dbraw/zinc/84/30/43/469843043.db2.gz SLHPCJHASXNHIH-SJLPKXTDSA-N 2 0 336.524 2.425 10 0 EEAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000627777644 469996901 /nfs/dbraw/zinc/99/69/01/469996901.db2.gz KJLSUCQUTDJZHQ-RBUKOAKNSA-N 2 0 341.499 2.355 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634724077 470286964 /nfs/dbraw/zinc/28/69/64/470286964.db2.gz JJGXAWMUHWFCBR-LGYWMIHWSA-N 2 0 346.515 2.256 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000645693871 470385377 /nfs/dbraw/zinc/38/53/77/470385377.db2.gz PJWGKJQFQOFDMJ-JUVOFCAFSA-N 2 0 339.524 2.146 10 0 EEAERP C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000646185794 470558912 /nfs/dbraw/zinc/55/89/12/470558912.db2.gz JBPYBFVCNURGEB-VQIMIIECSA-N 2 0 344.503 2.376 10 0 EEAERP CC[C@H]1CN(CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000649416594 470581142 /nfs/dbraw/zinc/58/11/42/470581142.db2.gz FSHILTLWZXCBDE-IRXDYDNUSA-N 2 0 347.507 2.461 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1)c1ccccc1 ZINC000649907608 470740525 /nfs/dbraw/zinc/74/05/25/470740525.db2.gz WCGVBZLBOICNQI-NVXWUHKLSA-N 2 0 337.414 2.137 10 0 EEAERP [NH3+]CC1(CC[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000650712523 470948205 /nfs/dbraw/zinc/94/82/05/470948205.db2.gz IADUPQXLXMWZNA-UHFFFAOYSA-N 2 0 327.222 2.396 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCO3)C1 ZINC000650722220 470951017 /nfs/dbraw/zinc/95/10/17/470951017.db2.gz NHENBJOPLXJHBD-RYRKJORJSA-N 2 0 332.444 2.319 10 0 EEAERP CN1CCO[C@H]([C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000650745174 470957194 /nfs/dbraw/zinc/95/71/94/470957194.db2.gz BCLZHPLQRUYHIQ-DLBZAZTESA-N 2 0 337.895 2.430 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804101 470988847 /nfs/dbraw/zinc/98/88/47/470988847.db2.gz IUMMKFKUYRJFHK-NWANDNLSSA-N 2 0 343.393 2.080 10 0 EEAERP O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899303 471010450 /nfs/dbraw/zinc/01/04/50/471010450.db2.gz GAXXEKPAUIUSJF-FUHWJXTLSA-N 2 0 349.906 2.463 10 0 EEAERP COc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899758 471010726 /nfs/dbraw/zinc/01/07/26/471010726.db2.gz VOLTYZQPLXNVCY-GDBMZVCRSA-N 2 0 347.459 2.106 10 0 EEAERP Cc1ccc2cc(C[NH2+]C3CCN(CC(=O)N(C)C)CC3)[nH]c2c1 ZINC000657356404 471110994 /nfs/dbraw/zinc/11/09/94/471110994.db2.gz LVOFMPALJPUGRX-UHFFFAOYSA-N 2 0 328.460 2.119 10 0 EEAERP Fc1cccnc1N1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657392149 471123575 /nfs/dbraw/zinc/12/35/75/471123575.db2.gz MSWFTPHXTWIWFO-AWEZNQCLSA-N 2 0 338.390 2.170 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000652283664 471266841 /nfs/dbraw/zinc/26/68/41/471266841.db2.gz TUFUVZGPZCEGPD-UHFFFAOYSA-N 2 0 344.503 2.423 10 0 EEAERP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134752 471269873 /nfs/dbraw/zinc/26/98/73/471269873.db2.gz BTFCVPREAXHJJB-LPHOPBHVSA-N 2 0 328.460 2.018 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000652361515 471280242 /nfs/dbraw/zinc/28/02/42/471280242.db2.gz JJOPQAFSMCBPEG-MNEFBYGVSA-N 2 0 349.519 2.281 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291420 /nfs/dbraw/zinc/29/14/20/471291420.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 2 0 344.547 2.123 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659031878 471475354 /nfs/dbraw/zinc/47/53/54/471475354.db2.gz DGJXKKOXXICTJX-QAPCUYQASA-N 2 0 346.475 2.153 10 0 EEAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035696 471478173 /nfs/dbraw/zinc/47/81/73/471478173.db2.gz YTEIGNAYDIYLOE-QZTJIDSGSA-N 2 0 346.475 2.342 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659036984 471479588 /nfs/dbraw/zinc/47/95/88/471479588.db2.gz UQAFWZMSQADKLG-QAPCUYQASA-N 2 0 346.475 2.153 10 0 EEAERP C[C@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1=CC[N@H+](C)CC1 ZINC000659037519 471479740 /nfs/dbraw/zinc/47/97/40/471479740.db2.gz JFPSKIQNCQSVMA-KBXCAEBGSA-N 2 0 344.459 2.119 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655909665 471531698 /nfs/dbraw/zinc/53/16/98/471531698.db2.gz CJHCHZHIVZLFOY-ZIAGYGMSSA-N 2 0 346.397 2.258 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902459 471544174 /nfs/dbraw/zinc/54/41/74/471544174.db2.gz KTFIQDJHVFJWHS-RTBURBONSA-N 2 0 332.488 2.347 10 0 EEAERP CC(C)Cc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+](C)C)cc1 ZINC000669587059 471569430 /nfs/dbraw/zinc/56/94/30/471569430.db2.gz ZSFIUXFKTJOYKK-QWNKOJSDSA-N 2 0 332.492 2.302 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000659434365 471625273 /nfs/dbraw/zinc/62/52/73/471625273.db2.gz MDELPCWPBIXJTO-GNHJJJEISA-N 2 0 336.505 2.182 10 0 EEAERP CCN(C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664126059 471647419 /nfs/dbraw/zinc/64/74/19/471647419.db2.gz KAFYKLLMCPMPCU-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP CN(CC(C)(C)[NH3+])C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000659484694 471651808 /nfs/dbraw/zinc/65/18/08/471651808.db2.gz ZCNNCHOGXUNZQE-IBGZPJMESA-N 2 0 332.492 2.420 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)C2)CC1 ZINC000661403397 471745146 /nfs/dbraw/zinc/74/51/46/471745146.db2.gz LAQYBNINBFYJFI-IAGOWNOFSA-N 2 0 336.524 2.233 10 0 EEAERP COc1cc(C)c(C)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000667544115 471817095 /nfs/dbraw/zinc/81/70/95/471817095.db2.gz WLYVRTFVLIPVMZ-UHFFFAOYSA-N 2 0 336.480 2.269 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000665285410 471990383 /nfs/dbraw/zinc/99/03/83/471990383.db2.gz MDMDJIZZJROKJG-SFHVURJKSA-N 2 0 345.487 2.263 10 0 EEAERP Fc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254282 472044021 /nfs/dbraw/zinc/04/40/21/472044021.db2.gz OXIPUJUMYIHWQD-ROUUACIJSA-N 2 0 334.435 2.328 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325802 472072657 /nfs/dbraw/zinc/07/26/57/472072657.db2.gz PXQYZHHGHKURAH-SFHVURJKSA-N 2 0 349.475 2.066 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000668302551 472075931 /nfs/dbraw/zinc/07/59/31/472075931.db2.gz JUSYEISTHPXEPL-HOCLYGCPSA-N 2 0 331.451 2.154 10 0 EEAERP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CC2([NH3+])CC2)CC1 ZINC000662757101 472237918 /nfs/dbraw/zinc/23/79/18/472237918.db2.gz KZZUOKZLGLMVHM-CQSZACIVSA-N 2 0 348.466 2.026 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662881810 472288811 /nfs/dbraw/zinc/28/88/11/472288811.db2.gz BKRFQRUGZDXWTL-RANZSIQMSA-N 2 0 329.444 2.207 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000662909578 472297273 /nfs/dbraw/zinc/29/72/73/472297273.db2.gz GRGAXEUTHPVVLJ-SFHVURJKSA-N 2 0 329.488 2.443 10 0 EEAERP [NH3+]C1(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000662919918 472298379 /nfs/dbraw/zinc/29/83/79/472298379.db2.gz PIUPRROFDPRJQY-QGZVFWFLSA-N 2 0 327.472 2.286 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672754344 486185830 /nfs/dbraw/zinc/18/58/30/486185830.db2.gz FBTDQUJHQKRFHK-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000678006954 486547374 /nfs/dbraw/zinc/54/73/74/486547374.db2.gz OSCBVJBXNORPNE-KBPBESRZSA-N 2 0 328.420 2.214 10 0 EEAERP C[NH+]1CCC(Oc2cccc3c2CN(C[C@@H]2CCCO2)[C@@H]3C[NH3+])CC1 ZINC000071684990 517943238 /nfs/dbraw/zinc/94/32/38/517943238.db2.gz BEYBACYDHZXYDS-QFBILLFUSA-N 2 0 345.487 2.154 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000415938759 528353086 /nfs/dbraw/zinc/35/30/86/528353086.db2.gz AZNSHKQQEXYISC-KRWDZBQOSA-N 2 0 348.491 2.371 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cnc2ccccc2c1)C(=O)NCC[NH+](C)C ZINC000758592428 577627949 /nfs/dbraw/zinc/62/79/49/577627949.db2.gz WXQZJBIAJRPTGW-IBGZPJMESA-N 2 0 342.487 2.417 10 0 EEAERP [NH3+]C[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(F)cc1 ZINC000261818171 681543243 /nfs/dbraw/zinc/54/32/43/681543243.db2.gz XOYHHYJIALUREO-OAHLLOKOSA-N 2 0 331.366 2.292 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ocnc3C)C2)ccn1 ZINC000895375370 684563157 /nfs/dbraw/zinc/56/31/57/684563157.db2.gz ZNSODBHNTRZGSA-QGZVFWFLSA-N 2 0 330.432 2.483 10 0 EEAERP COC(=O)[C@H]1[C@H](C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1(F)F ZINC000895467863 684612391 /nfs/dbraw/zinc/61/23/91/684612391.db2.gz OWBDPTLWFFNZOW-LSDHHAIUSA-N 2 0 332.435 2.341 10 0 EEAERP C[NH+](C)CCn1cc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cn1 ZINC000900474589 693986932 /nfs/dbraw/zinc/98/69/32/693986932.db2.gz RHBVWCNUULSDFQ-UHFFFAOYSA-N 2 0 340.431 2.301 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000898169316 691889877 /nfs/dbraw/zinc/88/98/77/691889877.db2.gz XOCKCLAOADLSDS-RDGPPVDQSA-N 2 0 327.472 2.090 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccnnc3)cc2)CC1 ZINC000924691043 693169149 /nfs/dbraw/zinc/16/91/49/693169149.db2.gz ANTFWOMUUXSHKK-KRWDZBQOSA-N 2 0 339.487 2.465 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000924724575 693283456 /nfs/dbraw/zinc/28/34/56/693283456.db2.gz ZQDWDUBBYABOBW-YRWFTTLQSA-N 2 0 331.504 2.195 10 0 EEAERP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001485651489 1191871102 /nfs/dbraw/zinc/87/11/02/1191871102.db2.gz UWBVCXUBNBWNQJ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCCO2)C1)CC(C)(C)C ZINC001485696622 1191903275 /nfs/dbraw/zinc/90/32/75/1191903275.db2.gz VYBNNHUNOASWLN-ULQDDVLXSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001485702942 1191906120 /nfs/dbraw/zinc/90/61/20/1191906120.db2.gz JSBCCSYGUVWJOG-SHTZXODSSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001485722039 1191909572 /nfs/dbraw/zinc/90/95/72/1191909572.db2.gz CDPYSASJMOEMIX-YOEHRIQHSA-N 2 0 335.496 2.321 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2nocc2C)CC[N@@H+]1C ZINC001485722625 1191910059 /nfs/dbraw/zinc/91/00/59/1191910059.db2.gz NZOYJYVGZPILNH-YQQAZPJKSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CCC[NH2+]CC=C(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001485743264 1191918592 /nfs/dbraw/zinc/91/85/92/1191918592.db2.gz CPDSANNHBSSVLJ-GFCCVEGCSA-N 2 0 334.291 2.276 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC001485728319 1191919934 /nfs/dbraw/zinc/91/99/34/1191919934.db2.gz XSVCFKDUHGFMEZ-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@@H]2C1 ZINC001486160119 1193705999 /nfs/dbraw/zinc/70/59/99/1193705999.db2.gz GGANXGNAJHGXLN-YNINQOBDSA-N 2 0 327.900 2.297 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266460089 1176575114 /nfs/dbraw/zinc/57/51/14/1176575114.db2.gz WYYDRVINJMYVNF-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncccc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001266499380 1176653132 /nfs/dbraw/zinc/65/31/32/1176653132.db2.gz ZKLKPRIIJGEXGF-KDURUIRLSA-N 2 0 344.503 2.297 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001772526453 1176884499 /nfs/dbraw/zinc/88/44/99/1176884499.db2.gz PFVMIBVZZWAMEU-ZWKOTPCHSA-N 2 0 325.460 2.267 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000167521755 1177316655 /nfs/dbraw/zinc/31/66/55/1177316655.db2.gz DAACPQPTTHXGBJ-QZTJIDSGSA-N 2 0 333.476 2.151 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001691058503 1177478119 /nfs/dbraw/zinc/47/81/19/1177478119.db2.gz MLJVHKFWGUMFOP-ARFHVFGLSA-N 2 0 336.455 2.196 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1Cl)C(=O)CC[NH+](C)C ZINC001266827130 1177500684 /nfs/dbraw/zinc/50/06/84/1177500684.db2.gz JXIDMDBTXKIATC-UHFFFAOYSA-N 2 0 332.275 2.493 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1OCC ZINC001692045707 1177893365 /nfs/dbraw/zinc/89/33/65/1177893365.db2.gz XTLSRLAHMIRPPJ-KZNAEPCWSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(NCc1ccc(CC[NH2+]CCCF)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001267096404 1178230036 /nfs/dbraw/zinc/23/00/36/1178230036.db2.gz OLJUKMAGOXUOII-IBGZPJMESA-N 2 0 347.478 2.136 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCF)CC1 ZINC001267184524 1178446470 /nfs/dbraw/zinc/44/64/70/1178446470.db2.gz ATIMSKUUMIXOIR-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCOc1ccccc1 ZINC001267272269 1178651871 /nfs/dbraw/zinc/65/18/71/1178651871.db2.gz LCVXVMDVRRWJBW-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP CN(CC[NH2+]CC1CCOCC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267394319 1178965099 /nfs/dbraw/zinc/96/50/99/1178965099.db2.gz GYOHETCINYEHMO-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267412944 1178975694 /nfs/dbraw/zinc/97/56/94/1178975694.db2.gz URTYBEPNEAJOBW-UHFFFAOYSA-N 2 0 349.523 2.061 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001267436890 1179009522 /nfs/dbraw/zinc/00/95/22/1179009522.db2.gz OEYLTISFIVXRAV-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccn1 ZINC001267500961 1179192511 /nfs/dbraw/zinc/19/25/11/1179192511.db2.gz IJECJXSTDNDCMO-LJQANCHMSA-N 2 0 344.503 2.140 10 0 EEAERP CC(C)[N@H+](CCF)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267509301 1179217600 /nfs/dbraw/zinc/21/76/00/1179217600.db2.gz QIWUXRYZOZXUSC-QGZVFWFLSA-N 2 0 333.467 2.385 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001481064315 1179665336 /nfs/dbraw/zinc/66/53/36/1179665336.db2.gz HRRGBPAAGIYWJH-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001481071058 1179679750 /nfs/dbraw/zinc/67/97/50/1179679750.db2.gz LISFNCDQJBAKRN-KGLIPLIRSA-N 2 0 348.318 2.247 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)cc1F ZINC001481124977 1179825644 /nfs/dbraw/zinc/82/56/44/1179825644.db2.gz ZBURITVESYCVMX-KRWDZBQOSA-N 2 0 333.451 2.168 10 0 EEAERP CC[C@@H](C)C[N@H+](CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C1CC1 ZINC001481169425 1179976873 /nfs/dbraw/zinc/97/68/73/1179976873.db2.gz ODXFOKOAJOVEFC-KDOFPFPSSA-N 2 0 347.507 2.417 10 0 EEAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001481231372 1180362531 /nfs/dbraw/zinc/36/25/31/1180362531.db2.gz XQVUOUAWHGSLHO-LJQANCHMSA-N 2 0 329.488 2.193 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)cc(C)c1 ZINC001267828967 1180598301 /nfs/dbraw/zinc/59/83/01/1180598301.db2.gz KLYQDZWPQSCACJ-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001267969075 1180873756 /nfs/dbraw/zinc/87/37/56/1180873756.db2.gz FOYBQQWSTUUBJV-ICFKLAHKSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC001481314672 1181009813 /nfs/dbraw/zinc/00/98/13/1181009813.db2.gz JWBJFXQDJYKJEZ-INIZCTEOSA-N 2 0 329.488 2.380 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001481522346 1181639127 /nfs/dbraw/zinc/63/91/27/1181639127.db2.gz MURMUWZDKPXPOL-BZSNNMDCSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001268070659 1181668941 /nfs/dbraw/zinc/66/89/41/1181668941.db2.gz JIHJTLWVJXLEHF-WBVHZDCISA-N 2 0 332.492 2.462 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001670784093 1181751217 /nfs/dbraw/zinc/75/12/17/1181751217.db2.gz FCKOODMEFPXTMI-HNNXBMFYSA-N 2 0 325.472 2.239 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncs1 ZINC001268402200 1182498371 /nfs/dbraw/zinc/49/83/71/1182498371.db2.gz GFNBBQSXJDQYSM-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001268415842 1182574297 /nfs/dbraw/zinc/57/42/97/1182574297.db2.gz PQSSKVTUMRUFOH-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccn(C2CCCC2)n1)NC(=O)C[NH+]1CCCC1 ZINC001268422478 1182587389 /nfs/dbraw/zinc/58/73/89/1182587389.db2.gz CMWXVLNNRXQEIH-INIZCTEOSA-N 2 0 347.507 2.078 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268427085 1182595740 /nfs/dbraw/zinc/59/57/40/1182595740.db2.gz UUAWIJOGOSTOFC-MRXNPFEDSA-N 2 0 331.504 2.500 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001268425195 1182597451 /nfs/dbraw/zinc/59/74/51/1182597451.db2.gz ZLXOCOWRSQRGND-QFBILLFUSA-N 2 0 331.504 2.228 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)cc1F ZINC001481877533 1182873751 /nfs/dbraw/zinc/87/37/51/1182873751.db2.gz DXJWIMIRNKXBMP-HNNXBMFYSA-N 2 0 325.403 2.045 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3cnoc3C)CCCC2)CC[N@@H+]1C ZINC001481897304 1182907768 /nfs/dbraw/zinc/90/77/68/1182907768.db2.gz VNSLRJLQNPLYHB-DLBZAZTESA-N 2 0 348.491 2.232 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001268486599 1182960707 /nfs/dbraw/zinc/96/07/07/1182960707.db2.gz FMFMUCIUCDXDRE-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@H]2C)o1 ZINC001481964760 1183055066 /nfs/dbraw/zinc/05/50/66/1183055066.db2.gz SQFGITOJUOGUTC-BEFAXECRSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)CC[N@@H+]1C ZINC001481977244 1183066194 /nfs/dbraw/zinc/06/61/94/1183066194.db2.gz NDBWRCYEEYDCTL-ZIFCJYIRSA-N 2 0 344.503 2.140 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001482019122 1183143287 /nfs/dbraw/zinc/14/32/87/1183143287.db2.gz YLUJAYQFFJTPGO-XSLAGTTESA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]C/C(Cl)=C/Cl ZINC001482136054 1183442530 /nfs/dbraw/zinc/44/25/30/1183442530.db2.gz OECHAUFXUGCPEC-YJPWGRHVSA-N 2 0 336.307 2.378 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CC=C(Cl)Cl ZINC001482154227 1183464897 /nfs/dbraw/zinc/46/48/97/1183464897.db2.gz KIYGTJUZMVJFRD-ZDUSSCGKSA-N 2 0 336.307 2.379 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001268598093 1183499674 /nfs/dbraw/zinc/49/96/74/1183499674.db2.gz WEBPXAIZOVOJOA-OSFIAYCASA-N 2 0 337.508 2.082 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482173193 1183500230 /nfs/dbraw/zinc/50/02/30/1183500230.db2.gz HFEKRGZVZJYFES-VQIMIIECSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1ccccc1CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268624851 1183547292 /nfs/dbraw/zinc/54/72/92/1183547292.db2.gz HVORNTILYIZUTJ-VOFKWLDRSA-N 2 0 329.488 2.141 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001268625119 1183547746 /nfs/dbraw/zinc/54/77/46/1183547746.db2.gz LGFCOWQUMHQPQI-PUWCWTCHSA-N 2 0 337.414 2.240 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F ZINC001268624714 1183547769 /nfs/dbraw/zinc/54/77/69/1183547769.db2.gz FUCUPQOUORACEP-KROLTMCQSA-N 2 0 331.435 2.171 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)co1 ZINC001269742145 1184579485 /nfs/dbraw/zinc/57/94/85/1184579485.db2.gz SKPJUMGBMMZZIF-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CCOCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001269877743 1184689162 /nfs/dbraw/zinc/68/91/62/1184689162.db2.gz RUZYYDRLXAWNOI-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001269989125 1184767918 /nfs/dbraw/zinc/76/79/18/1184767918.db2.gz MPWDLWVOYHPDSE-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270256438 1184964503 /nfs/dbraw/zinc/96/45/03/1184964503.db2.gz YMZSDZYUNTWLJW-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001270260958 1184968835 /nfs/dbraw/zinc/96/88/35/1184968835.db2.gz JPLOBTNNMWJLGM-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001270595867 1185192800 /nfs/dbraw/zinc/19/28/00/1185192800.db2.gz QNHNFZUSMOFUFK-PKOBYXMFSA-N 2 0 331.504 2.221 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001270798293 1185394967 /nfs/dbraw/zinc/39/49/67/1185394967.db2.gz BIAVMCGPXDQYPR-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cncs2)CC1 ZINC001482346764 1185469208 /nfs/dbraw/zinc/46/92/08/1185469208.db2.gz BCKKUFOLTQEXMY-AWEZNQCLSA-N 2 0 338.521 2.200 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)ccc1C ZINC001482367956 1185528312 /nfs/dbraw/zinc/52/83/12/1185528312.db2.gz CLLBCEFRTUPFAP-MRXNPFEDSA-N 2 0 335.492 2.280 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001271156534 1185990512 /nfs/dbraw/zinc/99/05/12/1185990512.db2.gz XQZCKQRNYPFFFF-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001271710583 1186386860 /nfs/dbraw/zinc/38/68/60/1186386860.db2.gz BEDVMTFJAZEFQM-AEFFLSMTSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001409938856 1193484209 /nfs/dbraw/zinc/48/42/09/1193484209.db2.gz XUHMXWPVVVNGQK-NVXWUHKLSA-N 2 0 329.488 2.273 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929803 1187851320 /nfs/dbraw/zinc/85/13/20/1187851320.db2.gz KRWOVXARJFOKNJ-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482962140 1187894684 /nfs/dbraw/zinc/89/46/84/1187894684.db2.gz DMHQYZUTRDRMGU-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483098205 1188473934 /nfs/dbraw/zinc/47/39/34/1188473934.db2.gz PMEBKAMBWHKDJD-DUMMIQTOSA-N 2 0 348.491 2.174 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001483127365 1188592772 /nfs/dbraw/zinc/59/27/72/1188592772.db2.gz PGEBAXISAHNYMR-HIFRSBDPSA-N 2 0 338.883 2.202 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001272873047 1193587838 /nfs/dbraw/zinc/58/78/38/1193587838.db2.gz FOJUMDINQPKPOE-SJLPKXTDSA-N 2 0 340.471 2.173 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccc(OC)cc1 ZINC001483197300 1189081737 /nfs/dbraw/zinc/08/17/37/1189081737.db2.gz DYSQKRANNSVOAL-APWZRJJASA-N 2 0 347.503 2.206 10 0 EEAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483247592 1190275299 /nfs/dbraw/zinc/27/52/99/1190275299.db2.gz PLEHYQNHFHKVKG-RGDDUWESSA-N 2 0 327.432 2.332 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483294383 1190317491 /nfs/dbraw/zinc/31/74/91/1190317491.db2.gz YACQBYCCCRFOIH-AAEUAGOBSA-N 2 0 327.831 2.025 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCC[NH+](C)C ZINC001483378339 1190420054 /nfs/dbraw/zinc/42/00/54/1190420054.db2.gz MCBKCPDNNLUQBB-OAHLLOKOSA-N 2 0 330.476 2.446 10 0 EEAERP Cc1nc(C)c(CN(C)C[C@@H](C)NC(=O)C[C@@H](C)n2ccnc2)o1 ZINC001483392503 1190437011 /nfs/dbraw/zinc/43/70/11/1190437011.db2.gz ZHHYCLLRISYVBA-CHWSQXEVSA-N 2 0 333.436 2.076 10 0 EEAERP CO[C@H](C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001409775786 1190484755 /nfs/dbraw/zinc/48/47/55/1190484755.db2.gz GMLBZFYVLYQBBM-BBWFWOEESA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1F ZINC001483492950 1190510282 /nfs/dbraw/zinc/51/02/82/1190510282.db2.gz NVTQHKHGWJCDIF-OAHLLOKOSA-N 2 0 335.467 2.414 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483496670 1190513148 /nfs/dbraw/zinc/51/31/48/1190513148.db2.gz DOUCGRHZICHSHT-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483496673 1190513310 /nfs/dbraw/zinc/51/33/10/1190513310.db2.gz DOUCGRHZICHSHT-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001483593288 1190577695 /nfs/dbraw/zinc/57/76/95/1190577695.db2.gz UZBLUROCAZXZJL-RBUKOAKNSA-N 2 0 344.503 2.329 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1nc2ccccc2o1)C1CC1 ZINC001483606182 1190584540 /nfs/dbraw/zinc/58/45/40/1190584540.db2.gz BFNILFDYCPTZHA-INIZCTEOSA-N 2 0 344.459 2.152 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC001486130742 1193689919 /nfs/dbraw/zinc/68/99/19/1193689919.db2.gz SJXXKEUNYWGZFY-YJBOKZPZSA-N 2 0 349.523 2.193 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1C[C@H]1CCOC1 ZINC001409832814 1190663691 /nfs/dbraw/zinc/66/36/91/1190663691.db2.gz HRCUUZQBUAYNHV-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001483680366 1190741378 /nfs/dbraw/zinc/74/13/78/1190741378.db2.gz AITMDOGBIDHMQD-APWZRJJASA-N 2 0 329.488 2.336 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccn1)CC2 ZINC001486147598 1193698142 /nfs/dbraw/zinc/69/81/42/1193698142.db2.gz KFDYRVBMXWQBLT-PKOBYXMFSA-N 2 0 330.476 2.037 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001272302510 1190752197 /nfs/dbraw/zinc/75/21/97/1190752197.db2.gz TWMYWECHBQYNII-STQMWFEESA-N 2 0 335.414 2.155 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001272302509 1190752390 /nfs/dbraw/zinc/75/23/90/1190752390.db2.gz TWMYWECHBQYNII-QWHCGFSZSA-N 2 0 335.414 2.155 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1 ZINC001483767177 1191000664 /nfs/dbraw/zinc/00/06/64/1191000664.db2.gz CHJSRKKFSRTTGE-CVEARBPZSA-N 2 0 345.487 2.336 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)s1 ZINC001483775078 1191018439 /nfs/dbraw/zinc/01/84/39/1191018439.db2.gz MJOFETWJITWENZ-ZBFHGGJFSA-N 2 0 348.516 2.207 10 0 EEAERP C[C@H](F)CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001483817248 1191045564 /nfs/dbraw/zinc/04/55/64/1191045564.db2.gz FFPIBKLQZSXHNO-HNNXBMFYSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001483837266 1191088085 /nfs/dbraw/zinc/08/80/85/1191088085.db2.gz BUABZCXNYOLWGU-YWEYNIOJSA-N 2 0 327.900 2.394 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001483911992 1191121695 /nfs/dbraw/zinc/12/16/95/1191121695.db2.gz MNBSKOPYYSXBTO-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+]1CCC(C)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001484142134 1191237564 /nfs/dbraw/zinc/23/75/64/1191237564.db2.gz URHJSHHFGIMGEU-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001484654733 1191457979 /nfs/dbraw/zinc/45/79/79/1191457979.db2.gz WBTOKWBDOMHWOC-IRXDYDNUSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(C2CC2)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272687950 1191462469 /nfs/dbraw/zinc/46/24/69/1191462469.db2.gz DLRYSVKVZZZCEX-SWLSCSKDSA-N 2 0 336.505 2.099 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC001484768939 1191522694 /nfs/dbraw/zinc/52/26/94/1191522694.db2.gz JVFCJFWOLRPLCT-HUUCEWRRSA-N 2 0 336.480 2.136 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001484910785 1191571348 /nfs/dbraw/zinc/57/13/48/1191571348.db2.gz YIMHYOSACIIYIP-AEFFLSMTSA-N 2 0 347.503 2.280 10 0 EEAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001484977195 1191604771 /nfs/dbraw/zinc/60/47/71/1191604771.db2.gz GBQDOYVGXSDSIO-JKSUJKDBSA-N 2 0 339.524 2.255 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2N(C)C)C1)[NH+](C)C ZINC001485103380 1191652870 /nfs/dbraw/zinc/65/28/70/1191652870.db2.gz QCPDOXPSLVIYKJ-VJFUWPCTSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485229629 1191698932 /nfs/dbraw/zinc/69/89/32/1191698932.db2.gz KKDHXYNGUZOICS-GJZGRUSLSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001485241407 1191706367 /nfs/dbraw/zinc/70/63/67/1191706367.db2.gz FRHSJZJNZATZMA-MWKPYIFVSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1cncc(C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001485265110 1191710979 /nfs/dbraw/zinc/71/09/79/1191710979.db2.gz OSJAKRWMDQXRID-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1cncc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001485312356 1191729911 /nfs/dbraw/zinc/72/99/11/1191729911.db2.gz GZNYUOBBUXLKGW-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)ccc1C ZINC001485320563 1191733846 /nfs/dbraw/zinc/73/38/46/1191733846.db2.gz SDZWZUAJMFBBPM-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C/C=C/c1ccccc1 ZINC001485348856 1191749779 /nfs/dbraw/zinc/74/97/79/1191749779.db2.gz BXXUFEKRYQDXAO-CVRCPQJVSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2C/C=C\Cl)C1 ZINC001485483561 1191799911 /nfs/dbraw/zinc/79/99/11/1191799911.db2.gz WZEABBVOHZMONS-BJYXUANLSA-N 2 0 327.900 2.442 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485485368 1191814826 /nfs/dbraw/zinc/81/48/26/1191814826.db2.gz PVCFSQGUUQLTHD-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CN(C(=O)c1sccc1C[NH+](C)C)C1CC([NH2+]CCCF)C1 ZINC001486463262 1193985488 /nfs/dbraw/zinc/98/54/88/1193985488.db2.gz XLGCTYHIMTTWOJ-UHFFFAOYSA-N 2 0 327.469 2.362 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCc2c(F)cccc2F)C1 ZINC001486475146 1193988951 /nfs/dbraw/zinc/98/89/51/1193988951.db2.gz AWGCZZSSVSJFFX-UHFFFAOYSA-N 2 0 339.430 2.038 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCOc2ccc(C)cc2)C1)[NH+](C)C ZINC001486480908 1193995124 /nfs/dbraw/zinc/99/51/24/1193995124.db2.gz RPNTYWINKIFBCA-TVPLGVNVSA-N 2 0 347.503 2.293 10 0 EEAERP C[C@@H](CC(=O)NCC1=CC[N@H+](C[C@@H]2CCCOC2)CC1)n1ccnc1 ZINC001486516458 1194021618 /nfs/dbraw/zinc/02/16/18/1194021618.db2.gz IGEOMKRHBPCGQT-WMZOPIPTSA-N 2 0 346.475 2.009 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)C1CC[NH+](C)CC1 ZINC001272993032 1194301290 /nfs/dbraw/zinc/30/12/90/1194301290.db2.gz HAMSSUDXXYUMQC-LLVKDONJSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273123689 1194407265 /nfs/dbraw/zinc/40/72/65/1194407265.db2.gz YFUBVXOKOPXFMF-CVEARBPZSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@]12CN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702048462 1195710879 /nfs/dbraw/zinc/71/08/79/1195710879.db2.gz HQASSAXRCGEVET-HLNWXESRSA-N 2 0 327.472 2.094 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCc3cccc(F)c3)CCC2)C1 ZINC001273200787 1197491761 /nfs/dbraw/zinc/49/17/61/1197491761.db2.gz GPNJWMSSONTGKL-KRWDZBQOSA-N 2 0 347.478 2.339 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001410109880 1197553222 /nfs/dbraw/zinc/55/32/22/1197553222.db2.gz AZIMJIRHKIMFRX-DSLXNQLJSA-N 2 0 341.499 2.383 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001410111632 1197553603 /nfs/dbraw/zinc/55/36/03/1197553603.db2.gz MFQJSZPSEGBODF-NNZMDNLPSA-N 2 0 333.520 2.343 10 0 EEAERP Cc1oncc1C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001410188055 1197593480 /nfs/dbraw/zinc/59/34/80/1197593480.db2.gz OWDBYFCABCEYBG-JZXOWHBKSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001410479234 1198028478 /nfs/dbraw/zinc/02/84/78/1198028478.db2.gz CLXAXLYWKAWVOB-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000872144286 1198054461 /nfs/dbraw/zinc/05/44/61/1198054461.db2.gz FPPSXICKMOBJAL-OALUTQOASA-N 2 0 346.471 2.500 10 0 EEAERP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865070598 1198073833 /nfs/dbraw/zinc/07/38/33/1198073833.db2.gz VKJAQLWMIFDUMI-QXCFHYIPSA-N 2 0 342.487 2.002 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872203466 1198083981 /nfs/dbraw/zinc/08/39/81/1198083981.db2.gz YLPBBICRGLRCDW-NUJGCVRESA-N 2 0 334.504 2.255 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254601 1198114261 /nfs/dbraw/zinc/11/42/61/1198114261.db2.gz ARPHQKLLPZAXEO-DDBAPUKQSA-N 2 0 329.444 2.047 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000865261004 1198144943 /nfs/dbraw/zinc/14/49/43/1198144943.db2.gz MPNYCWIXGBAGKX-UHFFFAOYSA-N 2 0 326.554 2.055 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)C(=O)NCC[NH+](C)C ZINC000865512538 1198254195 /nfs/dbraw/zinc/25/41/95/1198254195.db2.gz OSDWVMIZQFHACY-AWEZNQCLSA-N 2 0 344.862 2.056 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001410969665 1198647887 /nfs/dbraw/zinc/64/78/87/1198647887.db2.gz CNWIMWGTNCZJIN-GDBMZVCRSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C1 ZINC001411001742 1198678568 /nfs/dbraw/zinc/67/85/68/1198678568.db2.gz CEARHXQRQQBOMZ-GFCCVEGCSA-N 2 0 336.307 2.472 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001273427674 1198806390 /nfs/dbraw/zinc/80/63/90/1198806390.db2.gz LCHXBFFDNCJYSK-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273434958 1198916720 /nfs/dbraw/zinc/91/67/20/1198916720.db2.gz XCQNJUHANZYWDX-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001411255783 1198983380 /nfs/dbraw/zinc/98/33/80/1198983380.db2.gz VOQLJCZBNZMMRN-HTWSVDAQSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000875563877 1199299055 /nfs/dbraw/zinc/29/90/55/1199299055.db2.gz AAYRWRJRRVFCCI-FVQBIDKESA-N 2 0 338.521 2.190 10 0 EEAERP CSc1ccsc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022025 1200411900 /nfs/dbraw/zinc/41/19/00/1200411900.db2.gz MZWDJBKNQFLPCI-CHWSQXEVSA-N 2 0 341.546 2.281 10 0 EEAERP CCOc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C ZINC000870020807 1200411929 /nfs/dbraw/zinc/41/19/29/1200411929.db2.gz GSTWUSFGJRAOEY-QZTJIDSGSA-N 2 0 347.503 2.205 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000870876548 1200926448 /nfs/dbraw/zinc/92/64/48/1200926448.db2.gz QZCKCAOHNDNKLM-ZJRDLVKKSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870889004 1200934340 /nfs/dbraw/zinc/93/43/40/1200934340.db2.gz VFMUFFGKMRLERV-FORWCCJISA-N 2 0 327.472 2.456 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2c3ccccc3CN2C)C[N@@H+]1C1CC1 ZINC000868382870 1201803576 /nfs/dbraw/zinc/80/35/76/1201803576.db2.gz NFTWKUBNCSUCID-DDUZABMNSA-N 2 0 328.460 2.098 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000868695413 1201861208 /nfs/dbraw/zinc/86/12/08/1201861208.db2.gz PPICYNQQNGZDDG-UHFFFAOYSA-N 2 0 329.448 2.396 10 0 EEAERP c1nc2n(n1)[C@@H](C[N@@H+]1C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000886648428 1202540061 /nfs/dbraw/zinc/54/00/61/1202540061.db2.gz SOZYVXXBWFQOMT-IPMKNSEASA-N 2 0 337.471 2.219 10 0 EEAERP C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001274411956 1205025426 /nfs/dbraw/zinc/02/54/26/1205025426.db2.gz BUCRIMZYNDTWHE-TUYSUELWSA-N 2 0 330.476 2.108 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001274577823 1205085639 /nfs/dbraw/zinc/08/56/39/1205085639.db2.gz CRCJLGHDXDKGND-PYTPGESOSA-N 2 0 345.487 2.188 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274578842 1205085806 /nfs/dbraw/zinc/08/58/06/1205085806.db2.gz OULQBOQQHORFFK-OYADATRGSA-N 2 0 329.435 2.170 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001412479034 1205735012 /nfs/dbraw/zinc/73/50/12/1205735012.db2.gz BVFVDNPXNMQXOP-QGZVFWFLSA-N 2 0 339.430 2.150 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1 ZINC001276093861 1205778904 /nfs/dbraw/zinc/77/89/04/1205778904.db2.gz ZGXYQYZVJGBMJV-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)(c2ccccc2)CC1 ZINC001412675765 1205823973 /nfs/dbraw/zinc/82/39/73/1205823973.db2.gz JLWABKPSRVXXSZ-GOSISDBHSA-N 2 0 343.515 2.497 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)CO ZINC000924643759 1206008980 /nfs/dbraw/zinc/00/89/80/1206008980.db2.gz PHQLDLPMJCOGFE-IEBWSBKVSA-N 2 0 333.520 2.362 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)ccn2)CC1 ZINC000924690045 1206018174 /nfs/dbraw/zinc/01/81/74/1206018174.db2.gz MPLPJBSLCLIZDC-QUCCMNQESA-N 2 0 344.503 2.128 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)c1 ZINC000924931812 1206052168 /nfs/dbraw/zinc/05/21/68/1206052168.db2.gz LHSWEHQJTUGFRR-GPMSIDNRSA-N 2 0 336.476 2.157 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)cc2)CC1 ZINC000925312296 1206094142 /nfs/dbraw/zinc/09/41/42/1206094142.db2.gz HRFAGLPMOYGSBG-CRAIPNDOSA-N 2 0 345.491 2.043 10 0 EEAERP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925519407 1206122389 /nfs/dbraw/zinc/12/23/89/1206122389.db2.gz CEZDMSNURNWXDT-DAYGRLMNSA-N 2 0 342.487 2.321 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCN[C@H]3C[C@H]([NH3+])C34CCC4)CC2)c1 ZINC000925527921 1206123465 /nfs/dbraw/zinc/12/34/65/1206123465.db2.gz XJFIJSAYWXMKGZ-PMACEKPBSA-N 2 0 342.531 2.367 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925575007 1206130378 /nfs/dbraw/zinc/13/03/78/1206130378.db2.gz XTKBEDGXHOHDJA-JLSDUUJJSA-N 2 0 331.508 2.303 10 0 EEAERP COc1ccc([C@H](CN[C@@H]2CC[NH2+]C23CCC3)[NH+](C)C)cc1OC ZINC000925620012 1206136362 /nfs/dbraw/zinc/13/63/62/1206136362.db2.gz DGQGYQKZILKVLA-MAUKXSAKSA-N 2 0 333.476 2.181 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632104 1206137721 /nfs/dbraw/zinc/13/77/21/1206137721.db2.gz ZVTPALGASOKXQE-KVPLUYHFSA-N 2 0 341.499 2.401 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000925638721 1206138515 /nfs/dbraw/zinc/13/85/15/1206138515.db2.gz FEBLFADBEDZJRF-LSDHHAIUSA-N 2 0 336.455 2.053 10 0 EEAERP C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925667700 1206142104 /nfs/dbraw/zinc/14/21/04/1206142104.db2.gz DWRNCOJMPYHJCF-NZSAHSFTSA-N 2 0 346.519 2.278 10 0 EEAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925801185 1206155436 /nfs/dbraw/zinc/15/54/36/1206155436.db2.gz VFZLGQKKJDVKDD-LFGUQSLTSA-N 2 0 331.504 2.111 10 0 EEAERP C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806766 1206155632 /nfs/dbraw/zinc/15/56/32/1206155632.db2.gz AKOGMBIWOOABQJ-KRWDZBQOSA-N 2 0 331.504 2.387 10 0 EEAERP CCn1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)cn1 ZINC000925806848 1206155663 /nfs/dbraw/zinc/15/56/63/1206155663.db2.gz BNTCNXZVKHYQJW-INIZCTEOSA-N 2 0 327.476 2.159 10 0 EEAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)c1 ZINC000925811087 1206156319 /nfs/dbraw/zinc/15/63/19/1206156319.db2.gz QRCKRXPNSPRVPO-MRXNPFEDSA-N 2 0 332.492 2.033 10 0 EEAERP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851524 1206160990 /nfs/dbraw/zinc/16/09/90/1206160990.db2.gz FYFDXFGXPUVEIG-OLZOCXBDSA-N 2 0 335.473 2.104 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925899331 1206165326 /nfs/dbraw/zinc/16/53/26/1206165326.db2.gz DNBPSUNXZWRUDS-SFHVURJKSA-N 2 0 347.507 2.058 10 0 EEAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC2(COC2)O1 ZINC000929753488 1206498413 /nfs/dbraw/zinc/49/84/13/1206498413.db2.gz BCUIJSROKXDLGN-RTBURBONSA-N 2 0 330.472 2.388 10 0 EEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929754148 1206498463 /nfs/dbraw/zinc/49/84/63/1206498463.db2.gz KCVNLZSSQLQNHH-ZGXWSNOMSA-N 2 0 330.472 2.244 10 0 EEAERP Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000930282982 1206546440 /nfs/dbraw/zinc/54/64/40/1206546440.db2.gz BNUNQDFCCIKVTA-MRXNPFEDSA-N 2 0 348.495 2.016 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001490876495 1211959200 /nfs/dbraw/zinc/95/92/00/1211959200.db2.gz GFGNHWNOYQNOSW-GUDVDZBRSA-N 2 0 329.488 2.259 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087225 1234034427 /nfs/dbraw/zinc/03/44/27/1234034427.db2.gz UQRPQHKRPFPXCY-ZWKOTPCHSA-N 2 0 345.487 2.097 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccccc1 ZINC000900556345 1234480459 /nfs/dbraw/zinc/48/04/59/1234480459.db2.gz BPJYGVSGZLFBSM-JXFKEZNVSA-N 2 0 347.503 2.079 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001413344548 1235647592 /nfs/dbraw/zinc/64/75/92/1235647592.db2.gz NJHNFWYIMAMODV-YOEHRIQHSA-N 2 0 335.467 2.335 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903078535 1239680561 /nfs/dbraw/zinc/68/05/61/1239680561.db2.gz IJTWDXLARLGVKW-WOJBJXKFSA-N 2 0 330.472 2.436 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903093770 1239716864 /nfs/dbraw/zinc/71/68/64/1239716864.db2.gz UPZMENZWYRYINL-UXHICEINSA-N 2 0 346.471 2.199 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000903493895 1240662355 /nfs/dbraw/zinc/66/23/55/1240662355.db2.gz ZQBFCZBEVQJVRH-KHYOSLBOSA-N 2 0 341.411 2.054 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903722122 1241719267 /nfs/dbraw/zinc/71/92/67/1241719267.db2.gz HJLRKIHHQYIMOE-LEWJYISDSA-N 2 0 344.499 2.479 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cnn1C ZINC000903899848 1242398232 /nfs/dbraw/zinc/39/82/32/1242398232.db2.gz XOLNZBSYKGSEPN-YLJYHZDGSA-N 2 0 341.503 2.422 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000903964506 1242757803 /nfs/dbraw/zinc/75/78/03/1242757803.db2.gz KJVMGVFVJQGLSF-KOLCDFICSA-N 2 0 327.222 2.123 10 0 EEAERP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(F)(F)F)C2)ccc2c[nH+]cn21 ZINC001491031720 1258589648 /nfs/dbraw/zinc/58/96/48/1258589648.db2.gz OQOFMUFFPPOMRZ-TXEJJXNPSA-N 2 0 340.349 2.446 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC001491071160 1258637238 /nfs/dbraw/zinc/63/72/38/1258637238.db2.gz ULKORBOATCGBLT-TXEJJXNPSA-N 2 0 329.897 2.480 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCCCCF)CC2)C1 ZINC001491370921 1259011884 /nfs/dbraw/zinc/01/18/84/1259011884.db2.gz HEZGMICJUMXDNH-KLAILNCOSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001491457576 1259102687 /nfs/dbraw/zinc/10/26/87/1259102687.db2.gz SAUDKKHSWCBYLO-BFYDXBDKSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001491472526 1259117682 /nfs/dbraw/zinc/11/76/82/1259117682.db2.gz CERQYGOJRJIEPB-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](F)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001279624876 1276682198 /nfs/dbraw/zinc/68/21/98/1276682198.db2.gz UDIXJVIAKRSKNR-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncs2)C1)[NH+](C)C ZINC001267887495 1276752894 /nfs/dbraw/zinc/75/28/94/1276752894.db2.gz KXPSRJFUZMXXSA-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344539 1277188939 /nfs/dbraw/zinc/18/89/39/1277188939.db2.gz MBIIWMWVVSYSHE-UHFFFAOYSA-N 2 0 340.899 2.363 10 0 EEAERP C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000850357778 1277197149 /nfs/dbraw/zinc/19/71/49/1277197149.db2.gz VFQKAEXKEFOBIW-CJNGLKHVSA-N 2 0 347.484 2.053 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001488803086 1290202039 /nfs/dbraw/zinc/20/20/39/1290202039.db2.gz CZKQMHSDEBGUHV-VKNSLKGXSA-N 2 0 348.466 2.078 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001490212966 1291003606 /nfs/dbraw/zinc/00/36/06/1291003606.db2.gz ATTHUKYGWFAMPN-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001490307092 1291153309 /nfs/dbraw/zinc/15/33/09/1291153309.db2.gz QWKOVUUVXFTMJK-CJNGLKHVSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309116 1291180285 /nfs/dbraw/zinc/18/02/85/1291180285.db2.gz YBAVEAWQXAEVLZ-WMLDXEAASA-N 2 0 336.480 2.102 10 0 EEAERP CCC(CC)(CNC(=O)C1=NO[C@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000852867840 1292222104 /nfs/dbraw/zinc/22/21/04/1292222104.db2.gz DWGUSVFXFDWBOE-ZBFHGGJFSA-N 2 0 346.475 2.116 10 0 EEAERP Cc1cc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1N(C)C ZINC000854295664 1292706559 /nfs/dbraw/zinc/70/65/59/1292706559.db2.gz MLRBZDZZLVMLLK-INIZCTEOSA-N 2 0 349.523 2.455 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3COC(C)(C)O3)C2)ccn1 ZINC000856584353 1293573257 /nfs/dbraw/zinc/57/32/57/1293573257.db2.gz IJCBNHJJSPWIPU-MSOLQXFVSA-N 2 0 349.475 2.138 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277149158 1301516804 /nfs/dbraw/zinc/51/68/04/1301516804.db2.gz ZRSCSBDICCBVLU-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP O=C(NCC1([NH2+]CCOCC2CCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001277194598 1301756292 /nfs/dbraw/zinc/75/62/92/1301756292.db2.gz DCCIFYCJSCIRMP-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1csc(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)n1 ZINC001277980030 1305533145 /nfs/dbraw/zinc/53/31/45/1305533145.db2.gz CVETWKMLYKBNJE-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001277988462 1305608655 /nfs/dbraw/zinc/60/86/55/1305608655.db2.gz PUPWWQMNDAJSLL-SFHVURJKSA-N 2 0 343.515 2.460 10 0 EEAERP O=C(NC1CCC([NH+]2CCCCC2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841856376 1315624758 /nfs/dbraw/zinc/62/47/58/1315624758.db2.gz VSRNBFJVHUNFHU-HTWSVDAQSA-N 2 0 334.508 2.319 10 0 EEAERP COC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000842763848 1315769519 /nfs/dbraw/zinc/76/95/19/1315769519.db2.gz CTUIWNAFKXNQAE-AEFFLSMTSA-N 2 0 331.460 2.152 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001278585780 1317279347 /nfs/dbraw/zinc/27/93/47/1317279347.db2.gz OCCLZJNJRCQEKE-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001278703116 1317796933 /nfs/dbraw/zinc/79/69/33/1317796933.db2.gz DXQDSZUARIMSDO-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)co1 ZINC001276405836 1319444883 /nfs/dbraw/zinc/44/48/83/1319444883.db2.gz RZWFQCWOUCWYAT-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccccc2C[NH3+])cc(Cl)n1 ZINC001261491687 1322114705 /nfs/dbraw/zinc/11/47/05/1322114705.db2.gz CRXJVZYEXRSDMO-HNNXBMFYSA-N 2 0 332.835 2.208 10 0 EEAERP CCN(C)[C@H](C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC001263529791 1322488564 /nfs/dbraw/zinc/48/85/64/1322488564.db2.gz QHTRBDFZBTXOMD-WMZOPIPTSA-N 2 0 334.460 2.333 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCCCOC)C1)[NH+](C)C ZINC001264119121 1322632357 /nfs/dbraw/zinc/63/23/57/1322632357.db2.gz UQNYLGAXQIWAQA-DLBZAZTESA-N 2 0 327.513 2.114 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001264364729 1322673099 /nfs/dbraw/zinc/67/30/99/1322673099.db2.gz IWYTXCFMPKOBJF-KRWDZBQOSA-N 2 0 344.459 2.216 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001264467567 1322706426 /nfs/dbraw/zinc/70/64/26/1322706426.db2.gz MLAKLVBJDUHVIW-BBWFWOEESA-N 2 0 327.488 2.485 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC001264681926 1322781940 /nfs/dbraw/zinc/78/19/40/1322781940.db2.gz MFUCZJPHUJPQRY-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264988005 1322835712 /nfs/dbraw/zinc/83/57/12/1322835712.db2.gz UVSAQIWIDSUJHH-SJLPKXTDSA-N 2 0 347.503 2.282 10 0 EEAERP COc1cc(C[N@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)ccc1C ZINC001265058162 1322898151 /nfs/dbraw/zinc/89/81/51/1322898151.db2.gz KRIRQUXRYAHASB-GOSISDBHSA-N 2 0 347.503 2.284 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001265507516 1323187452 /nfs/dbraw/zinc/18/74/52/1323187452.db2.gz MIEOAIZJLXRRBL-CXFFOBQESA-N 2 0 327.472 2.423 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001265956563 1323518084 /nfs/dbraw/zinc/51/80/84/1323518084.db2.gz SETNTNAOTXPHOB-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265971429 1323532656 /nfs/dbraw/zinc/53/26/56/1323532656.db2.gz MXOKBZIBRBSXEN-UKRRQHHQSA-N 2 0 339.430 2.416 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCOC3CCC3)C2)CCC1 ZINC001266060249 1323613179 /nfs/dbraw/zinc/61/31/79/1323613179.db2.gz SHJRSNNKQBGOSG-HOTGVXAUSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccon1 ZINC001266214443 1323782038 /nfs/dbraw/zinc/78/20/38/1323782038.db2.gz CRFTYGZBPOUPLN-ROUUACIJSA-N 2 0 348.491 2.408 10 0 EEAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001281529891 1325231669 /nfs/dbraw/zinc/23/16/69/1325231669.db2.gz DCMZGWXZLIDYDN-DKRLNXSXSA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOC)CC1(C)C ZINC001281568758 1325296671 /nfs/dbraw/zinc/29/66/71/1325296671.db2.gz XWHIFNJUHGJPMM-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001281968449 1325542326 /nfs/dbraw/zinc/54/23/26/1325542326.db2.gz NCKWIMXNVWJEKB-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001282228530 1325657197 /nfs/dbraw/zinc/65/71/97/1325657197.db2.gz IXODZZFZMTXLFF-ROUUACIJSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176519 1325945123 /nfs/dbraw/zinc/94/51/23/1325945123.db2.gz HNZOCRLRKLJLMP-YQVWRLOYSA-N 2 0 331.504 2.444 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001283702754 1326209860 /nfs/dbraw/zinc/20/98/60/1326209860.db2.gz BSEQZVLABUTSHF-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCc2ccccc2)C[C@@H]1C ZINC001284035101 1326373445 /nfs/dbraw/zinc/37/34/45/1326373445.db2.gz ZJNFMFDUMNRZIM-HKUYNNGSSA-N 2 0 347.503 2.122 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001284373492 1326525774 /nfs/dbraw/zinc/52/57/74/1326525774.db2.gz NRACFLSOUDLZII-KGLIPLIRSA-N 2 0 337.430 2.211 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001316635104 1326729209 /nfs/dbraw/zinc/72/92/09/1326729209.db2.gz RKPZPWXIHXMRLP-SHTZXODSSA-N 2 0 338.883 2.061 10 0 EEAERP CCCc1nc(C)c(CN2CC=C(CNC(=O)CC[NH+](C)C)CC2)o1 ZINC001284958831 1326796186 /nfs/dbraw/zinc/79/61/86/1326796186.db2.gz CEXGAONHJRAWNG-UHFFFAOYSA-N 2 0 348.491 2.136 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001491827283 1330265962 /nfs/dbraw/zinc/26/59/62/1330265962.db2.gz YICNOIJOXYRJLZ-UILUVHTGSA-N 2 0 334.291 2.228 10 0 EEAERP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001491958602 1330352182 /nfs/dbraw/zinc/35/21/82/1330352182.db2.gz FGYVLPIUXFOUOC-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001492026912 1330451877 /nfs/dbraw/zinc/45/18/77/1330451877.db2.gz DJLQZFUHJXWOTD-GPMSIDNRSA-N 2 0 347.503 2.158 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492257661 1331119526 /nfs/dbraw/zinc/11/95/26/1331119526.db2.gz RRFCVDGIZRNKRI-CQSZACIVSA-N 2 0 335.414 2.109 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001316752889 1331873097 /nfs/dbraw/zinc/87/30/97/1331873097.db2.gz XSKCZJNQCMCMOL-QYZOEREBSA-N 2 0 333.520 2.299 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001316752917 1331873107 /nfs/dbraw/zinc/87/31/07/1331873107.db2.gz YSNFWRPELODNTF-KCYZDWFNSA-N 2 0 345.531 2.465 10 0 EEAERP CCc1nocc1C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001316918120 1331984593 /nfs/dbraw/zinc/98/45/93/1331984593.db2.gz OXWVSUMKVBHXPI-GOSISDBHSA-N 2 0 348.491 2.192 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001316943758 1332006315 /nfs/dbraw/zinc/00/63/15/1332006315.db2.gz LSLUBSLHJOBBKR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317139148 1332095505 /nfs/dbraw/zinc/09/55/05/1332095505.db2.gz XFXWIZZEBHGGLG-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317143421 1332097776 /nfs/dbraw/zinc/09/77/76/1332097776.db2.gz LYISBBLEDXDNMO-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317195066 1332125177 /nfs/dbraw/zinc/12/51/77/1332125177.db2.gz WVGHBNVNUCCQBO-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317312538 1332174797 /nfs/dbraw/zinc/17/47/97/1332174797.db2.gz IWBAHAFIMXCYIV-QUCCMNQESA-N 2 0 343.515 2.460 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001317336836 1332184308 /nfs/dbraw/zinc/18/43/08/1332184308.db2.gz JFLSPSFCMHCUTJ-IRXDYDNUSA-N 2 0 347.478 2.148 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001317338810 1332185405 /nfs/dbraw/zinc/18/54/05/1332185405.db2.gz PUSGDQFQLDAVJZ-QUCCMNQESA-N 2 0 343.515 2.399 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001317943860 1332448627 /nfs/dbraw/zinc/44/86/27/1332448627.db2.gz YWFXODKIFYNZIN-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318173318 1332482464 /nfs/dbraw/zinc/48/24/64/1332482464.db2.gz QRRVERHOMRWSAO-IBGZPJMESA-N 2 0 329.488 2.009 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)CCC1 ZINC001318807103 1332602650 /nfs/dbraw/zinc/60/26/50/1332602650.db2.gz YJZRXGRZHGXDKW-QGZVFWFLSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1nccs1 ZINC001319737178 1332754832 /nfs/dbraw/zinc/75/48/32/1332754832.db2.gz WHTLGECYGXYJRQ-GJZGRUSLSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001319770816 1332763822 /nfs/dbraw/zinc/76/38/22/1332763822.db2.gz VVKNYHGXSGYEQR-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(F)cc3)cn2)CC1 ZINC001319912087 1332796199 /nfs/dbraw/zinc/79/61/99/1332796199.db2.gz BVUYWSKZYPLNTA-UHFFFAOYSA-N 2 0 328.435 2.305 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001320444667 1332885148 /nfs/dbraw/zinc/88/51/48/1332885148.db2.gz BYPHDOUYBLSWFN-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1cccc(OCC[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001320544403 1332907098 /nfs/dbraw/zinc/90/70/98/1332907098.db2.gz SDZPNLMRCONIEY-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001320561412 1332910596 /nfs/dbraw/zinc/91/05/96/1332910596.db2.gz GDLPDTSXPAENQQ-GJZGRUSLSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CC[NH2+]CC1CCOCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320562108 1332910808 /nfs/dbraw/zinc/91/08/08/1332910808.db2.gz IFIRNCDPRQWQPI-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(CC)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001320694220 1332936497 /nfs/dbraw/zinc/93/64/97/1332936497.db2.gz FIJWWYAWXWKFHR-LJQANCHMSA-N 2 0 331.504 2.324 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(C(C)C)n1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320841397 1332963358 /nfs/dbraw/zinc/96/33/58/1332963358.db2.gz VNFDUHLGSRGWRQ-KRWDZBQOSA-N 2 0 346.519 2.485 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001320927691 1332980877 /nfs/dbraw/zinc/98/08/77/1332980877.db2.gz BPUNDEKAQRYCCD-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320928657 1332981047 /nfs/dbraw/zinc/98/10/47/1332981047.db2.gz LEEVBIAORPKNLG-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1Cl ZINC001320998556 1332994341 /nfs/dbraw/zinc/99/43/41/1332994341.db2.gz OTBAEKXGIVAZQP-GWQWAINWSA-N 2 0 339.842 2.335 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321991447 1333191909 /nfs/dbraw/zinc/19/19/09/1333191909.db2.gz OBELYYDSLWNEKQ-AEFFLSMTSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cnccn1 ZINC001322590689 1333289403 /nfs/dbraw/zinc/28/94/03/1333289403.db2.gz HGPPXINMCPQDKE-FUHWJXTLSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)COC1CC[NH+](C)CC1)c1ccccc1 ZINC001322771186 1333323634 /nfs/dbraw/zinc/32/36/34/1333323634.db2.gz ZLQWWXLUGFCAHB-KRWDZBQOSA-N 2 0 347.503 2.297 10 0 EEAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322783767 1333326271 /nfs/dbraw/zinc/32/62/71/1333326271.db2.gz JRICRCZLACIFKU-KRXBUXKQSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)(C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1)[NH+]1CCCC1 ZINC001323051984 1333375954 /nfs/dbraw/zinc/37/59/54/1333375954.db2.gz QODGIJCMBWUCFG-ZDUSSCGKSA-N 2 0 335.414 2.298 10 0 EEAERP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCOC(C)C ZINC001323142639 1333395392 /nfs/dbraw/zinc/39/53/92/1333395392.db2.gz JJEJPPIHGSPKPQ-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCOC(C)C)C2)C1)[NH+](C)C ZINC001323874332 1333564487 /nfs/dbraw/zinc/56/44/87/1333564487.db2.gz TXZFIWIVRPKFJZ-IEBWSBKVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+]2CCCC2)on1 ZINC001324285624 1333650053 /nfs/dbraw/zinc/65/00/53/1333650053.db2.gz KZPBESBFNLHRNY-QGZVFWFLSA-N 2 0 348.491 2.330 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+]2CCCC2)on1 ZINC001324285623 1333650065 /nfs/dbraw/zinc/65/00/65/1333650065.db2.gz KZPBESBFNLHRNY-KRWDZBQOSA-N 2 0 348.491 2.330 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001324826258 1333768023 /nfs/dbraw/zinc/76/80/23/1333768023.db2.gz OQLMHPKTJAQJBU-NTPJFSOPSA-N 2 0 341.499 2.480 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001327154840 1334235737 /nfs/dbraw/zinc/23/57/37/1334235737.db2.gz AIKFNKFHOGAZGE-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001327941690 1334367351 /nfs/dbraw/zinc/36/73/51/1334367351.db2.gz SINGQXFELPIMOR-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cc1cnc[nH]1)CC2 ZINC001330552711 1334869803 /nfs/dbraw/zinc/86/98/03/1334869803.db2.gz XRVJBNSJLBOCHU-KRWDZBQOSA-N 2 0 348.491 2.130 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330882452 1334920556 /nfs/dbraw/zinc/92/05/56/1334920556.db2.gz HYSFXRHYPBTGMB-DOTOQJQBSA-N 2 0 349.523 2.107 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C[C@@H]1C ZINC001332052444 1335715259 /nfs/dbraw/zinc/71/52/59/1335715259.db2.gz YNUHIBIFCJGCBZ-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332826840 1335914669 /nfs/dbraw/zinc/91/46/69/1335914669.db2.gz QXWDVXDXBUWHBJ-HZPDHXFCSA-N 2 0 327.513 2.018 10 0 EEAERP CC(C)(C)[NH2+]CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001339765899 1337070030 /nfs/dbraw/zinc/07/00/30/1337070030.db2.gz KSGRKUXPWQGBEJ-QGZVFWFLSA-N 2 0 330.476 2.298 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001479815355 1337394444 /nfs/dbraw/zinc/39/44/44/1337394444.db2.gz HLMAZOBVVSHCNW-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@@H]1CCC[NH+]1C ZINC001428044723 1339406019 /nfs/dbraw/zinc/40/60/19/1339406019.db2.gz JXSQGNDEWMDAMU-LNLFQRSKSA-N 2 0 344.503 2.385 10 0 EEAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCC[C@@H]1O ZINC001434469922 1341851345 /nfs/dbraw/zinc/85/13/45/1341851345.db2.gz RMUKWXJQMKKOTC-SFTDATJTSA-N 2 0 345.531 2.287 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)c1 ZINC001436313254 1342020564 /nfs/dbraw/zinc/02/05/64/1342020564.db2.gz BEQUHUJKRNTIQI-GOSISDBHSA-N 2 0 347.503 2.167 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001436358414 1342050101 /nfs/dbraw/zinc/05/01/01/1342050101.db2.gz GRTICVJZOHAMDY-OIPACUDHSA-N 2 0 345.478 2.431 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001436368501 1342055914 /nfs/dbraw/zinc/05/59/14/1342055914.db2.gz YLEBJYDYOOZGGT-CALCHBBNSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001670248821 1356304383 /nfs/dbraw/zinc/30/43/83/1356304383.db2.gz IHAAFTFGKPLWPQ-HNNXBMFYSA-N 2 0 338.496 2.460 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001500347435 1342175975 /nfs/dbraw/zinc/17/59/75/1342175975.db2.gz GDYBPNOKFIMSRF-VQIMIIECSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001502759512 1342231216 /nfs/dbraw/zinc/23/12/16/1342231216.db2.gz HXJFWUKHNDEKGU-AZUAARDMSA-N 2 0 343.515 2.460 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CC[C@H]2CC2(Cl)Cl)C2CC2)C1 ZINC001567454598 1342764155 /nfs/dbraw/zinc/76/41/55/1342764155.db2.gz ZYVFCXGCTLBCTP-OLZOCXBDSA-N 2 0 348.318 2.103 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2nc(C)c(C)s2)CC[N@@H+]1C ZINC001567498480 1342770188 /nfs/dbraw/zinc/77/01/88/1342770188.db2.gz JMPBARRWJWKOLV-LSDHHAIUSA-N 2 0 338.521 2.038 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567604475 1342791564 /nfs/dbraw/zinc/79/15/64/1342791564.db2.gz GDVFHSOCVDPBPJ-CYBMUJFWSA-N 2 0 344.286 2.493 10 0 EEAERP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)cn1 ZINC001569558376 1342896564 /nfs/dbraw/zinc/89/65/64/1342896564.db2.gz LJNHEEOMIDWWJY-KRWDZBQOSA-N 2 0 349.523 2.075 10 0 EEAERP CCCCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001570235599 1343038895 /nfs/dbraw/zinc/03/88/95/1343038895.db2.gz FCAKXSRLUIYVFC-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001570437139 1343069712 /nfs/dbraw/zinc/06/97/12/1343069712.db2.gz JNFXNNGZDHNHBF-GOEBONIOSA-N 2 0 344.459 2.262 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001676481040 1357156175 /nfs/dbraw/zinc/15/61/75/1357156175.db2.gz OIAFJVYYOXGKOY-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)[C@H]1C ZINC001676695826 1357182451 /nfs/dbraw/zinc/18/24/51/1357182451.db2.gz ZUAIOBSPWAUZMJ-UKRRQHHQSA-N 2 0 338.883 2.154 10 0 EEAERP CCOCCC[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001677431480 1357331065 /nfs/dbraw/zinc/33/10/65/1357331065.db2.gz OBLMAAWKTCEZAS-AOCRQIFASA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCc1ccc(C[NH2+]CCF)cc1F ZINC001677642450 1357381318 /nfs/dbraw/zinc/38/13/18/1357381318.db2.gz BCQTVWVAXHXPFO-MRXNPFEDSA-N 2 0 339.430 2.375 10 0 EEAERP CCNc1cc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccn1 ZINC001646940574 1353060576 /nfs/dbraw/zinc/06/05/76/1353060576.db2.gz PWCZHDPQOFKUHZ-HNNXBMFYSA-N 2 0 333.480 2.433 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001649462093 1353518038 /nfs/dbraw/zinc/51/80/38/1353518038.db2.gz GBHSWCBDGSRAFX-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](Cc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001660715477 1354523849 /nfs/dbraw/zinc/52/38/49/1354523849.db2.gz JUZNDLRFDAZIJR-IRXDYDNUSA-N 2 0 344.503 2.283 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661556599 1354658728 /nfs/dbraw/zinc/65/87/28/1354658728.db2.gz WNHBQLOTOWHCFU-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001661921777 1354723487 /nfs/dbraw/zinc/72/34/87/1354723487.db2.gz LEGVNAJCFVPATG-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC001663123852 1354923193 /nfs/dbraw/zinc/92/31/93/1354923193.db2.gz LQBWTPLLKVELBQ-HNNXBMFYSA-N 2 0 336.505 2.100 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001664036315 1355077944 /nfs/dbraw/zinc/07/79/44/1355077944.db2.gz GSFOEQONTAXTJU-MRXNPFEDSA-N 2 0 338.521 2.120 10 0 EEAERP COCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457925 1355169314 /nfs/dbraw/zinc/16/93/14/1355169314.db2.gz WLTGMVIJXNVJPE-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CCCCOC)C1 ZINC001665727284 1355375508 /nfs/dbraw/zinc/37/55/08/1355375508.db2.gz ZJLWGAQNRRYYRV-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001666333412 1355511463 /nfs/dbraw/zinc/51/14/63/1355511463.db2.gz QNGQIHMLYBQPRH-VQIMIIECSA-N 2 0 347.503 2.158 10 0 EEAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992237 1355628750 /nfs/dbraw/zinc/62/87/50/1355628750.db2.gz MFALVVLULNEOAY-KBXCAEBGSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667301745 1355703657 /nfs/dbraw/zinc/70/36/57/1355703657.db2.gz JLWQXRRUSUFKDU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001668059900 1355859496 /nfs/dbraw/zinc/85/94/96/1355859496.db2.gz KXGDDXKKDWDMFD-HIFRSBDPSA-N 2 0 331.451 2.389 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001668059346 1355859602 /nfs/dbraw/zinc/85/96/02/1355859602.db2.gz FDJXLFYAMORMQE-XJKSGUPXSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668065103 1355860613 /nfs/dbraw/zinc/86/06/13/1355860613.db2.gz GKHBPNGDNKEMOS-UMVBOHGHSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001668066567 1355861010 /nfs/dbraw/zinc/86/10/10/1355861010.db2.gz YCHCYKDCNQZCAY-UXIGCNINSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001668318667 1355922549 /nfs/dbraw/zinc/92/25/49/1355922549.db2.gz AXFOXGPCKFOBRK-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668884233 1356034992 /nfs/dbraw/zinc/03/49/92/1356034992.db2.gz YUNKCUVROBCOGJ-RPCWLKAMSA-N 2 0 346.475 2.070 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001669020894 1356069772 /nfs/dbraw/zinc/06/97/72/1356069772.db2.gz LGOAFLQUORHFIJ-DSYXLKISSA-N 2 0 325.403 2.240 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001669038833 1356074201 /nfs/dbraw/zinc/07/42/01/1356074201.db2.gz FOPOKXAPZTZSCD-SFAKSCPVSA-N 2 0 337.414 2.069 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCc1cccc(F)c1)C12CC[NH+](CC1)C2 ZINC001669139579 1356103989 /nfs/dbraw/zinc/10/39/89/1356103989.db2.gz PGDWPGZICWFIRY-UPHRSURJSA-N 2 0 345.462 2.116 10 0 EEAERP COCCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001669882857 1356232177 /nfs/dbraw/zinc/23/21/77/1356232177.db2.gz RDOHMHXTYPDHTL-YJBOKZPZSA-N 2 0 345.503 2.062 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)o1 ZINC001670129896 1356281752 /nfs/dbraw/zinc/28/17/52/1356281752.db2.gz GLPBTMNPUCVQRG-ZIAGYGMSSA-N 2 0 345.447 2.010 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670276091 1356309484 /nfs/dbraw/zinc/30/94/84/1356309484.db2.gz UATLGESRBWZSJV-PKOBYXMFSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671554819 1356361839 /nfs/dbraw/zinc/36/18/39/1356361839.db2.gz UDRXQMLVKNPZID-MAUKXSAKSA-N 2 0 345.478 2.433 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001671868213 1356426806 /nfs/dbraw/zinc/42/68/06/1356426806.db2.gz QFJYMXSICJTCEU-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001672246252 1356487554 /nfs/dbraw/zinc/48/75/54/1356487554.db2.gz GWEFHCHWPYXZSS-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001672400764 1356515471 /nfs/dbraw/zinc/51/54/71/1356515471.db2.gz QVRCAHIDSNJCRC-WMZOPIPTSA-N 2 0 335.467 2.305 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001672531599 1356547232 /nfs/dbraw/zinc/54/72/32/1356547232.db2.gz XFMVLYPUNQINJC-RCCFBDPRSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001672839539 1356597281 /nfs/dbraw/zinc/59/72/81/1356597281.db2.gz OLHKCGVWEUABCF-LACBQNOSSA-N 2 0 334.291 2.228 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001672901488 1356610917 /nfs/dbraw/zinc/61/09/17/1356610917.db2.gz IHUBVDOISHRJPT-FYQHACEVSA-N 2 0 336.307 2.475 10 0 EEAERP COCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001672937515 1356618779 /nfs/dbraw/zinc/61/87/79/1356618779.db2.gz LGKCACUCLNTKSI-VQIMIIECSA-N 2 0 347.503 2.474 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001673381031 1356680901 /nfs/dbraw/zinc/68/09/01/1356680901.db2.gz PYFKLQTXVQOTJG-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCCCCF)CC2)C1 ZINC001673402095 1356686208 /nfs/dbraw/zinc/68/62/08/1356686208.db2.gz OSFXNQRYKHUCKR-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001674392872 1356826238 /nfs/dbraw/zinc/82/62/38/1356826238.db2.gz FJNLUEAPKAPKBH-QDAKYZJLSA-N 2 0 327.900 2.440 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691706517 1368761897 /nfs/dbraw/zinc/76/18/97/1368761897.db2.gz ZFBMLTJORPCVDY-YESZJQIVSA-N 2 0 339.499 2.485 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001698912927 1405154880 /nfs/dbraw/zinc/15/48/80/1405154880.db2.gz CMSFWENWGMLEMD-SJORKVTESA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001698921590 1405163226 /nfs/dbraw/zinc/16/32/26/1405163226.db2.gz UTCMHAFCDOXVLA-HZPDHXFCSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699409530 1405349577 /nfs/dbraw/zinc/34/95/77/1405349577.db2.gz PRXPPWGBYFUHDO-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP CN(CCC[NH2+]CCOC1CCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699537853 1405376844 /nfs/dbraw/zinc/37/68/44/1405376844.db2.gz FTHNBNRZZOYLFV-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001699820349 1405509651 /nfs/dbraw/zinc/50/96/51/1405509651.db2.gz YJVSSQSDSHAODF-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCc3ccccc3)C2)C1 ZINC001699856152 1405530392 /nfs/dbraw/zinc/53/03/92/1405530392.db2.gz JTKAATUWMHUHBD-QUCCMNQESA-N 2 0 329.488 2.009 10 0 EEAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925847065 779492588 /nfs/dbraw/zinc/49/25/88/779492588.db2.gz RXCXZQGJOHQQIP-IXYNUQLISA-N 2 0 330.419 2.475 10 0 EEAERP CC(C)[NH+]1CCC([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000705981889 784914123 /nfs/dbraw/zinc/91/41/23/784914123.db2.gz WKPRTSKFEMAWSV-UHFFFAOYSA-N 2 0 343.512 2.332 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1 ZINC000912919498 788478217 /nfs/dbraw/zinc/47/82/17/788478217.db2.gz MGMFIROUQHTVCJ-SFHVURJKSA-N 2 0 345.487 2.327 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711342514 788726277 /nfs/dbraw/zinc/72/62/77/788726277.db2.gz MKCOLTRYXJGBRO-NXHRZFHOSA-N 2 0 329.488 2.259 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921528804 789031668 /nfs/dbraw/zinc/03/16/68/789031668.db2.gz XBOTYKYMMURTLQ-UHFFFAOYSA-N 2 0 333.524 2.195 10 0 EEAERP [NH3+]CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923277132 789280134 /nfs/dbraw/zinc/28/01/34/789280134.db2.gz KUFCHFMTMXGGRF-LBPRGKRZSA-N 2 0 333.259 2.404 10 0 EEAERP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923452838 789585812 /nfs/dbraw/zinc/58/58/12/789585812.db2.gz IEOOAKGAFXJIHW-SJORKVTESA-N 2 0 345.487 2.460 10 0 EEAERP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498443 789678519 /nfs/dbraw/zinc/67/85/19/789678519.db2.gz PPBGCCAPVJJFNM-JYJNAYRXSA-N 2 0 333.476 2.131 10 0 EEAERP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499914 789683879 /nfs/dbraw/zinc/68/38/79/789683879.db2.gz ODTIEVAFOMJIDB-MSOLQXFVSA-N 2 0 347.503 2.057 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923500643 789685021 /nfs/dbraw/zinc/68/50/21/789685021.db2.gz QHVSAWFWUDMJJK-VXGBXAGGSA-N 2 0 329.897 2.277 10 0 EEAERP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000952995085 796136818 /nfs/dbraw/zinc/13/68/18/796136818.db2.gz CPRSEIHZEWQBGU-FUHWJXTLSA-N 2 0 345.487 2.006 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)CC[N@@H+]1C ZINC000922500226 801187591 /nfs/dbraw/zinc/18/75/91/801187591.db2.gz ACMAEWWARMUXKN-AHCXZYCDSA-N 2 0 330.476 2.041 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000787291116 807069490 /nfs/dbraw/zinc/06/94/90/807069490.db2.gz IOXAZCYPJGQFBP-QGZVFWFLSA-N 2 0 327.476 2.160 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1ccc(Cl)nc1 ZINC001566519952 1125692019 /nfs/dbraw/zinc/69/20/19/1125692019.db2.gz MAGKLVZHOCPTHL-UHFFFAOYSA-N 2 0 326.872 2.013 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+][C@@H](C)COC)C1 ZINC001436475124 1087944690 /nfs/dbraw/zinc/94/46/90/1087944690.db2.gz LBILKPKZZCLBNI-IRXDYDNUSA-N 2 0 327.513 2.114 10 0 EEAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436804289 1088384608 /nfs/dbraw/zinc/38/46/08/1088384608.db2.gz CVIQGKSJHHPBQO-YJBOKZPZSA-N 2 0 327.488 2.339 10 0 EEAERP CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436963960 1088654419 /nfs/dbraw/zinc/65/44/19/1088654419.db2.gz KVZMLZLLXADREU-HDICACEKSA-N 2 0 329.488 2.328 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001437059572 1088957843 /nfs/dbraw/zinc/95/78/43/1088957843.db2.gz ANVALBXUNWZSBQ-GOEBONIOSA-N 2 0 348.491 2.220 10 0 EEAERP CC[C@@H](F)C[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001437088807 1089039638 /nfs/dbraw/zinc/03/96/38/1089039638.db2.gz KCWICXBWENEONJ-QQFBHYJXSA-N 2 0 325.472 2.380 10 0 EEAERP COCc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001437463040 1089783241 /nfs/dbraw/zinc/78/32/41/1089783241.db2.gz MJGKITIEUDRQKZ-LJQANCHMSA-N 2 0 347.503 2.254 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1cccc(N(C)C)c1 ZINC001437627574 1090143013 /nfs/dbraw/zinc/14/30/13/1090143013.db2.gz ZIIDCMZUQCEHHE-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCc3ccccc32)C1 ZINC001437820571 1090413490 /nfs/dbraw/zinc/41/34/90/1090413490.db2.gz PUSDJVCZKPSXDD-QFBILLFUSA-N 2 0 327.472 2.206 10 0 EEAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001437914036 1090496770 /nfs/dbraw/zinc/49/67/70/1090496770.db2.gz WBJPHMJMWWEJRL-AWEZNQCLSA-N 2 0 347.425 2.348 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437948962 1090546804 /nfs/dbraw/zinc/54/68/04/1090546804.db2.gz XAQMTKCUILSHNC-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1csc(C[NH+](C)C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001437994901 1090595316 /nfs/dbraw/zinc/59/53/16/1090595316.db2.gz YTJDKJPBEVOZKH-OAHLLOKOSA-N 2 0 338.521 2.072 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001438126483 1090652662 /nfs/dbraw/zinc/65/26/62/1090652662.db2.gz APWDSVMIVSCBNQ-GOEBONIOSA-N 2 0 343.462 2.344 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001438373784 1090852859 /nfs/dbraw/zinc/85/28/59/1090852859.db2.gz UWTSFHSUPMUTBW-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438672915 1091165309 /nfs/dbraw/zinc/16/53/09/1091165309.db2.gz FTHFRJXWSNEIHJ-AWEZNQCLSA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC001438771356 1091355249 /nfs/dbraw/zinc/35/52/49/1091355249.db2.gz ORXPZLRGNIRUFB-DQLFRSJESA-N 2 0 336.307 2.472 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1ccccc1F ZINC001438810474 1091425309 /nfs/dbraw/zinc/42/53/09/1091425309.db2.gz KXUSSGZLXUSGKV-SZVBFZGTSA-N 2 0 349.494 2.439 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C\Cl ZINC001438837919 1091466552 /nfs/dbraw/zinc/46/65/52/1091466552.db2.gz UTQPROUDUPXLGA-RHRPULRUSA-N 2 0 336.307 2.378 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(F)ccc2C)CC[N@@H+]1C ZINC001439239323 1091886514 /nfs/dbraw/zinc/88/65/14/1091886514.db2.gz LXFJCQLLAPYQLC-JCGIZDLHSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001445989486 1091959619 /nfs/dbraw/zinc/95/96/19/1091959619.db2.gz QDWQFAQPCRAKLR-CVEARBPZSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001445990424 1091961205 /nfs/dbraw/zinc/96/12/05/1091961205.db2.gz SEYKNEKPXHWEIT-KRWDZBQOSA-N 2 0 337.414 2.045 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ocnc1C ZINC001446017669 1092003263 /nfs/dbraw/zinc/00/32/63/1092003263.db2.gz TXGAOBXUFCDKOB-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ocnc1C ZINC001446017655 1092003497 /nfs/dbraw/zinc/00/34/97/1092003497.db2.gz TXGAOBXUFCDKOB-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CN(C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439327763 1092008049 /nfs/dbraw/zinc/00/80/49/1092008049.db2.gz OYFYZXIDDQNVTK-UMVBOHGHSA-N 2 0 339.430 2.242 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ocnc1C ZINC001446023832 1092014313 /nfs/dbraw/zinc/01/43/13/1092014313.db2.gz ZQTZNXBQHDNJKK-HOTGVXAUSA-N 2 0 336.480 2.040 10 0 EEAERP COc1cc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)ccc1Cl ZINC001439367817 1092097096 /nfs/dbraw/zinc/09/70/96/1092097096.db2.gz VTCKVSQJRYRQOA-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1F ZINC001439484047 1092291819 /nfs/dbraw/zinc/29/18/19/1092291819.db2.gz KWZVZFUTNCKNBD-APWZRJJASA-N 2 0 347.478 2.460 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001439498906 1092333151 /nfs/dbraw/zinc/33/31/51/1092333151.db2.gz QOPXLKYUVHCTJJ-ZWKOTPCHSA-N 2 0 348.466 2.080 10 0 EEAERP CC(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001439979668 1093100869 /nfs/dbraw/zinc/10/08/69/1093100869.db2.gz ZWXYAQWCZDZOLT-MRXNPFEDSA-N 2 0 345.478 2.448 10 0 EEAERP Cc1nc(C[NH+]2C[C@@H]3CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]3C2)co1 ZINC001448470893 1093484844 /nfs/dbraw/zinc/48/48/44/1093484844.db2.gz MIIYGFZDGXIHHM-ULQDDVLXSA-N 2 0 348.491 2.040 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nsc2C)C1)[NH+](C)C ZINC001440363504 1093528678 /nfs/dbraw/zinc/52/86/78/1093528678.db2.gz HYZGYJHLZLJYQY-IIAWOOMASA-N 2 0 338.521 2.085 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001448663775 1093731859 /nfs/dbraw/zinc/73/18/59/1093731859.db2.gz ZUFAIELWJKTSPT-WMLDXEAASA-N 2 0 335.517 2.069 10 0 EEAERP CC[C@H](C[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)OC ZINC001440538307 1093804452 /nfs/dbraw/zinc/80/44/52/1093804452.db2.gz KFHICFBIRKIFBZ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001440590646 1093856355 /nfs/dbraw/zinc/85/63/55/1093856355.db2.gz CYBBMAJNCQDWGQ-DYVFJYSZSA-N 2 0 339.430 2.242 10 0 EEAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)OC ZINC001440599872 1093864326 /nfs/dbraw/zinc/86/43/26/1093864326.db2.gz CUFOPQRTYULXDM-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(-c2ccco2)on1 ZINC001440681047 1093938676 /nfs/dbraw/zinc/93/86/76/1093938676.db2.gz QJBIYANWPOARFX-AWEZNQCLSA-N 2 0 346.431 2.015 10 0 EEAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001440751405 1093996713 /nfs/dbraw/zinc/99/67/13/1093996713.db2.gz JOFSXFPFNNCLMM-PCKAHOCUSA-N 2 0 325.472 2.095 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)nsc2C)C[C@H]1C ZINC001448998553 1093996800 /nfs/dbraw/zinc/99/68/00/1093996800.db2.gz BDMOZRYBAKUTHJ-IUODEOHRSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001440838865 1094093055 /nfs/dbraw/zinc/09/30/55/1094093055.db2.gz OMSKAGKVVQZHDF-UONOGXRCSA-N 2 0 325.884 2.317 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001440855553 1094115240 /nfs/dbraw/zinc/11/52/40/1094115240.db2.gz JDFVUOZFPSKKPB-QWHCGFSZSA-N 2 0 327.419 2.288 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001441023062 1094309437 /nfs/dbraw/zinc/30/94/37/1094309437.db2.gz KGLPHYQCEKBPOU-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1csc(CN2CCC([C@@H](C)NC(=O)Cn3ccnc3)CC2)n1 ZINC001449351630 1094310720 /nfs/dbraw/zinc/31/07/20/1094310720.db2.gz GBLMWWIGAOMUJX-CQSZACIVSA-N 2 0 347.488 2.065 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001441032252 1094324172 /nfs/dbraw/zinc/32/41/72/1094324172.db2.gz IOKUEZCPCKMOFF-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2cnccc2C)C2CC2)CC[N@@H+]1C ZINC001441190716 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JUZGGKBFBZKXJW-RDGPPVDQSA-N 2 0 345.487 2.095 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccncc1Cl ZINC001441551063 1095281386 /nfs/dbraw/zinc/28/13/86/1095281386.db2.gz UWILFDCPOBDPLH-CZUORRHYSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CC1CCCCC1 ZINC001441608655 1095467449 /nfs/dbraw/zinc/46/74/49/1095467449.db2.gz FBNALBCLXMLTNF-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001441894105 1096036627 /nfs/dbraw/zinc/03/66/27/1096036627.db2.gz FDCQLOJTMGOKEX-GDBMZVCRSA-N 2 0 348.491 2.267 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001441942573 1096140422 /nfs/dbraw/zinc/14/04/22/1096140422.db2.gz XHSPWLKGRKVDMA-MJYKILKPSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCc1ccc(Cl)cc1 ZINC001442004325 1096207237 /nfs/dbraw/zinc/20/72/37/1096207237.db2.gz DUTFQNYZNSVPCB-CQSZACIVSA-N 2 0 335.879 2.073 10 0 EEAERP 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VVZCXALOWRIPPD-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1)[NH+](C)C ZINC001480231118 1099856710 /nfs/dbraw/zinc/85/67/10/1099856710.db2.gz DKTTYPNIERPGPJ-LZWOXQAQSA-N 2 0 325.403 2.042 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)c1 ZINC001444887733 1099920639 /nfs/dbraw/zinc/92/06/39/1099920639.db2.gz FKMDLAWZDCVWHT-WDSOQIARSA-N 2 0 346.519 2.351 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001444893147 1099937504 /nfs/dbraw/zinc/93/75/04/1099937504.db2.gz OLGSMTVHMBRSKA-MRXNPFEDSA-N 2 0 348.491 2.089 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1nc2ccccc2o1)C(C)C)[NH+](C)C ZINC001444940456 1100052419 /nfs/dbraw/zinc/05/24/19/1100052419.db2.gz SULSKMRBRBHAFG-HZPDHXFCSA-N 2 0 346.475 2.398 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]Cc2cccnc2)CC1 ZINC001480402437 1100215693 /nfs/dbraw/zinc/21/56/93/1100215693.db2.gz BKUYJNXZIFEUEF-CTWPCTMYSA-N 2 0 344.503 2.473 10 0 EEAERP COCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)c1 ZINC001446452886 1100873703 /nfs/dbraw/zinc/87/37/03/1100873703.db2.gz YBCIZVZPQUHWSW-QFBILLFUSA-N 2 0 347.503 2.254 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001446474447 1100900033 /nfs/dbraw/zinc/90/00/33/1100900033.db2.gz AOSYHXLAPJZCLG-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCCF)C2CCCCC2)CC[N@@H+]1C ZINC001496315772 1100909041 /nfs/dbraw/zinc/90/90/41/1100909041.db2.gz XIFJQGSAPOJLLQ-OIISXLGYSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496415374 1101009292 /nfs/dbraw/zinc/00/92/92/1101009292.db2.gz TWMQKECAVQPQEQ-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446547638 1101013347 /nfs/dbraw/zinc/01/33/47/1101013347.db2.gz HSIHGLDSGAPFTM-UYAOXDASSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)o1 ZINC001496424834 1101015707 /nfs/dbraw/zinc/01/57/07/1101015707.db2.gz ARZROCGTSAKYHD-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001446560199 1101039741 /nfs/dbraw/zinc/03/97/41/1101039741.db2.gz MKGYAEHOTKXPSP-IBGZPJMESA-N 2 0 349.523 2.195 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001495345537 1101056618 /nfs/dbraw/zinc/05/66/18/1101056618.db2.gz LDVPTRPMPBWTSB-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[N@H+](C)CCC2CCN(C(=O)Cc3cnc[nH]3)CC2)o1 ZINC001496509375 1101106904 /nfs/dbraw/zinc/10/69/04/1101106904.db2.gz QBDDRQZGYPJBLU-UHFFFAOYSA-N 2 0 345.447 2.009 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnccc1C)C(C)C ZINC001496642369 1101247254 /nfs/dbraw/zinc/24/72/54/1101247254.db2.gz OGTLXNOYEMNZNA-OALUTQOASA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1CC[NH+](CCCF)CC1 ZINC001495539180 1101254509 /nfs/dbraw/zinc/25/45/09/1101254509.db2.gz BQXMVHRIUVYGQG-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001495665508 1101405994 /nfs/dbraw/zinc/40/59/94/1101405994.db2.gz KBIMZKVUNDWEGC-IFXJQAMLSA-N 2 0 347.478 2.318 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496816201 1101522394 /nfs/dbraw/zinc/52/23/94/1101522394.db2.gz DJBOVEKDCJXVRP-INIZCTEOSA-N 2 0 335.467 2.366 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(F)c1)C2 ZINC001446926536 1101606194 /nfs/dbraw/zinc/60/61/94/1101606194.db2.gz PXAZOZXDVIGDKP-JQHSSLGASA-N 2 0 333.451 2.247 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001446938592 1101623861 /nfs/dbraw/zinc/62/38/61/1101623861.db2.gz NEJMXQKFYZZZRP-LPHOPBHVSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001446938590 1101624427 /nfs/dbraw/zinc/62/44/27/1101624427.db2.gz NEJMXQKFYZZZRP-APWZRJJASA-N 2 0 346.519 2.367 10 0 EEAERP C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001446948667 1101641857 /nfs/dbraw/zinc/64/18/57/1101641857.db2.gz YJDZRPUZOAFXPS-NEFCLYRVSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001496924723 1101726866 /nfs/dbraw/zinc/72/68/66/1101726866.db2.gz RCOUMLJACQIODI-DOTOQJQBSA-N 2 0 348.491 2.267 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC001447034084 1101795756 /nfs/dbraw/zinc/79/57/56/1101795756.db2.gz CRAPQLCUWNGYID-CVEARBPZSA-N 2 0 343.462 2.439 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001496077445 1102019105 /nfs/dbraw/zinc/01/91/05/1102019105.db2.gz GWVCCUXKGWWBOL-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001496153514 1102144753 /nfs/dbraw/zinc/14/47/53/1102144753.db2.gz HXTKAFNVTNHSSN-GUYCJALGSA-N 2 0 341.446 2.284 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cs1 ZINC001497242457 1102182946 /nfs/dbraw/zinc/18/29/46/1102182946.db2.gz XYLRLJLTIWZNPL-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]Cc3cncc(F)c3)CCC2)CC1 ZINC001447238397 1102262841 /nfs/dbraw/zinc/26/28/41/1102262841.db2.gz QRZWFMUYJHPVPU-UHFFFAOYSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497299844 1102279364 /nfs/dbraw/zinc/27/93/64/1102279364.db2.gz VFJCXYNEOVFAPQ-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001497309035 1102291714 /nfs/dbraw/zinc/29/17/14/1102291714.db2.gz XKBUJRJCJPSEBQ-YJBOKZPZSA-N 2 0 327.472 2.254 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497405916 1102440824 /nfs/dbraw/zinc/44/08/24/1102440824.db2.gz CNTGWJRJTPJVRU-ZDUSSCGKSA-N 2 0 346.928 2.321 10 0 EEAERP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)C(C)(C)c1cnc[nH]1 ZINC001497486665 1102566027 /nfs/dbraw/zinc/56/60/27/1102566027.db2.gz PTZVYOVGUJBLIT-UHFFFAOYSA-N 2 0 333.263 2.444 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001497585711 1102702776 /nfs/dbraw/zinc/70/27/76/1102702776.db2.gz NCRXKLQLADMDHI-PGUDMLLHSA-N 2 0 329.435 2.024 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497620214 1102759787 /nfs/dbraw/zinc/75/97/87/1102759787.db2.gz IQDQBAYIKXQLPK-PXPVJAHISA-N 2 0 344.503 2.272 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1C ZINC001497731052 1102980504 /nfs/dbraw/zinc/98/05/04/1102980504.db2.gz MBKHITWMRHGFDR-CHYADLBTSA-N 2 0 345.487 2.107 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)cc1 ZINC001497762184 1103051253 /nfs/dbraw/zinc/05/12/53/1103051253.db2.gz GBLJFJSIZCOXJY-VOFKWLDRSA-N 2 0 345.487 2.332 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497889156 1103264338 /nfs/dbraw/zinc/26/43/38/1103264338.db2.gz CVGJCCSLYRGGLH-BARDWOONSA-N 2 0 331.451 2.246 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001447775372 1103296552 /nfs/dbraw/zinc/29/65/52/1103296552.db2.gz SISUIGMPAQKHRQ-KRWDZBQOSA-N 2 0 333.476 2.070 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001494042925 1103415600 /nfs/dbraw/zinc/41/56/00/1103415600.db2.gz NLTCUKAJUUJBTB-ZNMIVQPWSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963602 1103424994 /nfs/dbraw/zinc/42/49/94/1103424994.db2.gz ZVXKXKJBVBVBKL-HZPDHXFCSA-N 2 0 341.499 2.426 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)o1 ZINC001447936932 1103641405 /nfs/dbraw/zinc/64/14/05/1103641405.db2.gz VGFDLHTURPCEJK-KBPBESRZSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001494213463 1103706690 /nfs/dbraw/zinc/70/66/90/1103706690.db2.gz HRLNZORVRKMYAU-APWZRJJASA-N 2 0 339.499 2.391 10 0 EEAERP Cc1cccc(OCC[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001448013430 1103798066 /nfs/dbraw/zinc/79/80/66/1103798066.db2.gz FLVMTFSFUJYTQB-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP COc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001448064951 1103926652 /nfs/dbraw/zinc/92/66/52/1103926652.db2.gz NQNCPFVBAUNYLK-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001495068392 1104707843 /nfs/dbraw/zinc/70/78/43/1104707843.db2.gz CHJKLBOJZGWWBB-DLBZAZTESA-N 2 0 332.492 2.331 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480613935 1106769756 /nfs/dbraw/zinc/76/97/56/1106769756.db2.gz FHEXUKWQWMDCFS-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480733038 1106999291 /nfs/dbraw/zinc/99/92/91/1106999291.db2.gz ZDPNJYFBAHXGPW-KRWDZBQOSA-N 2 0 344.459 2.216 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC001498197649 1107065056 /nfs/dbraw/zinc/06/50/56/1107065056.db2.gz TYVJEMRPZWSTNJ-WMZOPIPTSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480794036 1107127818 /nfs/dbraw/zinc/12/78/18/1107127818.db2.gz UWMHTWAEWHUSHE-PBHICJAKSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001480803469 1107145915 /nfs/dbraw/zinc/14/59/15/1107145915.db2.gz ITBRUEBKSHVCFG-IAGOWNOFSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CC[NH+](C)C)oc1C ZINC001480830560 1107219697 /nfs/dbraw/zinc/21/96/97/1107219697.db2.gz LYSMXAYIQCUICF-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001498380567 1107423371 /nfs/dbraw/zinc/42/33/71/1107423371.db2.gz INNNRWIOXXNHPH-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(Cl)nc1)NC(=O)C1CC[NH+](C)CC1 ZINC001498399020 1107455161 /nfs/dbraw/zinc/45/51/61/1107455161.db2.gz SPELCMJNSCCIGR-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP O=C(NC[C@H]1CCC[N@H+]1CCCCCF)C12CCC[NH+]1CCC2 ZINC001493117774 1107532095 /nfs/dbraw/zinc/53/20/95/1107532095.db2.gz CNSXNSDOLWLULU-MRXNPFEDSA-N 2 0 325.472 2.335 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001498549171 1107702324 /nfs/dbraw/zinc/70/23/24/1107702324.db2.gz RWQZZKARAYGTGV-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]Cc1nccn1C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498568720 1107736824 /nfs/dbraw/zinc/73/68/24/1107736824.db2.gz YYDZGEYTMYBARZ-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001498656388 1107906392 /nfs/dbraw/zinc/90/63/92/1107906392.db2.gz ZPIFWKHOSCHCBK-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@H]1CCCOC1 ZINC001493864317 1108756236 /nfs/dbraw/zinc/75/62/36/1108756236.db2.gz KQPPNPTYPBWLTE-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001456161638 1109107806 /nfs/dbraw/zinc/10/78/06/1109107806.db2.gz YUFOVHUKRLKBLA-SJLPKXTDSA-N 2 0 347.478 2.494 10 0 EEAERP CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)(c2ccccc2)CC1 ZINC001465411672 1110417176 /nfs/dbraw/zinc/41/71/76/1110417176.db2.gz MXYXSKHJNLZNGT-GOSISDBHSA-N 2 0 343.515 2.498 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccon2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001499861298 1112519515 /nfs/dbraw/zinc/51/95/15/1112519515.db2.gz IGAPNPSQLPNUIN-DLBZAZTESA-N 2 0 348.491 2.410 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001499981679 1112565030 /nfs/dbraw/zinc/56/50/30/1112565030.db2.gz IDLFZESOOHZJDQ-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001500112362 1112622914 /nfs/dbraw/zinc/62/29/14/1112622914.db2.gz VGGGPIQEGOBGHK-QFBILLFUSA-N 2 0 344.503 2.188 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1cncs1)C1CCCC1 ZINC001500126348 1112629498 /nfs/dbraw/zinc/62/94/98/1112629498.db2.gz MQMVZKFXORYION-INIZCTEOSA-N 2 0 336.505 2.004 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589958 1112960161 /nfs/dbraw/zinc/96/01/61/1112960161.db2.gz WKWDCIXAEJROKY-QZTJIDSGSA-N 2 0 349.519 2.225 10 0 EEAERP CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500616592 1112979187 /nfs/dbraw/zinc/97/91/87/1112979187.db2.gz FXYGAXGMMLHKDN-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C\Cl)C3)CCC1 ZINC001501006322 1113163564 /nfs/dbraw/zinc/16/35/64/1113163564.db2.gz SNMVOLTUSFGJRG-UNYOWURSSA-N 2 0 325.884 2.192 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(CC[NH2+]CCCF)Cc2ccccc2)CC[N@@H+]1C ZINC001501193398 1113236563 /nfs/dbraw/zinc/23/65/63/1113236563.db2.gz BWAZORXTYWMDDL-SJLPKXTDSA-N 2 0 335.467 2.305 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001501200099 1113239137 /nfs/dbraw/zinc/23/91/37/1113239137.db2.gz PMNFDQCGYPABIB-SFHVURJKSA-N 2 0 347.478 2.449 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1)c1ccccc1 ZINC001502086311 1113582198 /nfs/dbraw/zinc/58/21/98/1113582198.db2.gz CAPYJNBZRRAKNN-MJGOQNOKSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505631269 1114096477 /nfs/dbraw/zinc/09/64/77/1114096477.db2.gz AGEQZGLZUIXRJI-SJORKVTESA-N 2 0 344.503 2.249 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CCc1cccs1 ZINC001505646493 1114106424 /nfs/dbraw/zinc/10/64/24/1114106424.db2.gz SBLWFNGDMNHPTR-HUUCEWRRSA-N 2 0 335.517 2.402 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)cn1 ZINC001505850436 1114232968 /nfs/dbraw/zinc/23/29/68/1114232968.db2.gz WDSXOXMYEVADRD-MRXNPFEDSA-N 2 0 349.523 2.260 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC001506949408 1114998230 /nfs/dbraw/zinc/99/82/30/1114998230.db2.gz CIGKEOVBGKPCOD-RDJZCZTQSA-N 2 0 335.467 2.460 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1coc(C2CC2)n1 ZINC001506981609 1115029261 /nfs/dbraw/zinc/02/92/61/1115029261.db2.gz GJKLFPXKMTWXNJ-SJORKVTESA-N 2 0 348.491 2.267 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cnccc1C ZINC001507084106 1115099443 /nfs/dbraw/zinc/09/94/43/1115099443.db2.gz XNSNZFYASOFVSF-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507163288 1115142316 /nfs/dbraw/zinc/14/23/16/1115142316.db2.gz UGPQDSBUIJPIPB-CQSZACIVSA-N 2 0 338.496 2.383 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@@H]([NH2+]CCCF)[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001507362823 1115223299 /nfs/dbraw/zinc/22/32/99/1115223299.db2.gz SDYDYLCIINQWSG-GVDBMIGSSA-N 2 0 337.483 2.191 10 0 EEAERP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCCCCF ZINC001507384555 1115242750 /nfs/dbraw/zinc/24/27/50/1115242750.db2.gz WWXFOBXAFZFYFJ-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1ccc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)cc1F ZINC001508229083 1115453998 /nfs/dbraw/zinc/45/39/98/1115453998.db2.gz JYGNALXKQOYOSL-UHFFFAOYSA-N 2 0 345.462 2.478 10 0 EEAERP CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001486254582 1193781629 /nfs/dbraw/zinc/78/16/29/1193781629.db2.gz VPKVLXUCOZIGLX-CHWSQXEVSA-N 2 0 337.430 2.211 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567976319 1124214347 /nfs/dbraw/zinc/21/43/47/1124214347.db2.gz AFFFHPDJGZPEPM-GOEBONIOSA-N 2 0 340.899 2.306 10 0 EEAERP CCCCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001568105459 1124304677 /nfs/dbraw/zinc/30/46/77/1124304677.db2.gz MLVSJXPNQIFSCL-BRSBDYLESA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CCCCC2)C1 ZINC001568348555 1124430874 /nfs/dbraw/zinc/43/08/74/1124430874.db2.gz HNHXCMCMMDKZJM-FRGIFYTLSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001568392520 1124462243 /nfs/dbraw/zinc/46/22/43/1124462243.db2.gz QKBJEOWSSMKNRP-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568634023 1124648964 /nfs/dbraw/zinc/64/89/64/1124648964.db2.gz SEGZTYHWHLHWEX-NQBHXWOUSA-N 2 0 344.912 2.121 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)sn1 ZINC001568932112 1124963631 /nfs/dbraw/zinc/96/36/31/1124963631.db2.gz NXDKDNOVIMZQEL-HTGBSUJWSA-N 2 0 348.516 2.230 10 0 EEAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569029699 1125052102 /nfs/dbraw/zinc/05/21/02/1125052102.db2.gz OBWBVZDWMVPBKM-GFCCVEGCSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569090623 1125092010 /nfs/dbraw/zinc/09/20/10/1125092010.db2.gz OBWBVZDWMVPBKM-LBPRGKRZSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCc1ccccc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569151809 1125130093 /nfs/dbraw/zinc/13/00/93/1125130093.db2.gz PCZQHTJRIYATPQ-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cnccc1N ZINC000422733122 240198984 /nfs/dbraw/zinc/19/89/84/240198984.db2.gz ATUXFWNJGMGOAM-HNNXBMFYSA-N 2 0 328.460 2.328 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422876550 240271012 /nfs/dbraw/zinc/27/10/12/240271012.db2.gz QIWUPIOTLFBQLQ-VCBZYWHSSA-N 2 0 333.476 2.260 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423024569 240332218 /nfs/dbraw/zinc/33/22/18/240332218.db2.gz MBRWQHJJKMXZIE-XKQJLSEDSA-N 2 0 327.419 2.054 10 0 EEAERP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cnc1N1CCOCC1 ZINC000423049185 240343587 /nfs/dbraw/zinc/34/35/87/240343587.db2.gz JNHQAMJKIKRHAF-CGTJXYLNSA-N 2 0 348.466 2.068 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423152502 240384735 /nfs/dbraw/zinc/38/47/35/240384735.db2.gz LQBYIIGJVGNKLI-ULQDDVLXSA-N 2 0 340.508 2.349 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000438888627 242058278 /nfs/dbraw/zinc/05/82/78/242058278.db2.gz VVPHQVRQPYUVHH-ACJLOTCBSA-N 2 0 336.439 2.374 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900510 284006509 /nfs/dbraw/zinc/00/65/09/284006509.db2.gz CLWQAMCAKFDPTH-LJQANCHMSA-N 2 0 342.487 2.272 10 0 EEAERP CCC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCC1 ZINC000459804969 245252432 /nfs/dbraw/zinc/25/24/32/245252432.db2.gz PHZGGSWLQQNVKX-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000268602597 252058486 /nfs/dbraw/zinc/05/84/86/252058486.db2.gz VGOBTDAZMNADBZ-VQIMIIECSA-N 2 0 344.503 2.385 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000270511831 256143101 /nfs/dbraw/zinc/14/31/01/256143101.db2.gz LMPMTHKXAYQLLG-RBUKOAKNSA-N 2 0 342.487 2.312 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000276054619 256398871 /nfs/dbraw/zinc/39/88/71/256398871.db2.gz AQDRJPIHIGRVCX-VQIMIIECSA-N 2 0 346.519 2.415 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120854261 292258576 /nfs/dbraw/zinc/25/85/76/292258576.db2.gz HTZOJFVBWMNAFS-UHFFFAOYSA-N 2 0 335.496 2.459 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000173893371 152205646 /nfs/dbraw/zinc/20/56/46/152205646.db2.gz PEFQCXXDDJEGCZ-MSOLQXFVSA-N 2 0 334.508 2.154 10 0 EEAERP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000248973164 160369801 /nfs/dbraw/zinc/36/98/01/160369801.db2.gz DBLLUNCVACUQLL-CFAJVAMVSA-N 2 0 337.414 2.044 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000130019692 292366558 /nfs/dbraw/zinc/36/65/58/292366558.db2.gz KLIVBVZSUGQVQL-PMPSAXMXSA-N 2 0 326.529 2.334 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(C)C ZINC000102559666 159265267 /nfs/dbraw/zinc/26/52/67/159265267.db2.gz KTHKXFXMDAWASP-GOSISDBHSA-N 2 0 334.508 2.189 10 0 EEAERP C[C@@H](C(=O)N1CCCN(c2ccccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000184666877 160013962 /nfs/dbraw/zinc/01/39/62/160013962.db2.gz WSVIYZDNKNGGGL-BBWFWOEESA-N 2 0 330.476 2.382 10 0 EEAERP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000340635806 160943545 /nfs/dbraw/zinc/94/35/45/160943545.db2.gz IJNADKUMSDVEOH-UHFFFAOYSA-N 2 0 342.487 2.287 10 0 EEAERP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(=O)N1Cc1ccccc1 ZINC000343510189 161142370 /nfs/dbraw/zinc/14/23/70/161142370.db2.gz KNDMGKNOVHTZNX-QXCFHYIPSA-N 2 0 327.472 2.392 10 0 EEAERP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(=O)N1Cc1ccccc1 ZINC000343510184 161142550 /nfs/dbraw/zinc/14/25/50/161142550.db2.gz KNDMGKNOVHTZNX-NXWXRZEISA-N 2 0 327.472 2.392 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H]1C ZINC000346405872 161369574 /nfs/dbraw/zinc/36/95/74/161369574.db2.gz YHRUHEFXJASNET-AOIWGVFYSA-N 2 0 346.519 2.283 10 0 EEAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442884 162136707 /nfs/dbraw/zinc/13/67/07/162136707.db2.gz ZAEJZTSQLIMYLK-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)(CNC(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000354284049 162818129 /nfs/dbraw/zinc/81/81/29/162818129.db2.gz LJAJRGAONMTIFP-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Cl)cn1)C(=O)NCC[NH+](C)C ZINC000359697300 164155630 /nfs/dbraw/zinc/15/56/30/164155630.db2.gz SHTMOFOMNRQRQH-CJNGLKHVSA-N 2 0 340.899 2.478 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000360136426 164240688 /nfs/dbraw/zinc/24/06/88/164240688.db2.gz OHCWYZZZWSLWNF-INIZCTEOSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000423192974 278345587 /nfs/dbraw/zinc/34/55/87/278345587.db2.gz WCWQWDKBQCDBQC-MRXNPFEDSA-N 2 0 327.476 2.033 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000348870937 279038346 /nfs/dbraw/zinc/03/83/46/279038346.db2.gz GMWJUOPUVYZZHP-QGZVFWFLSA-N 2 0 329.488 2.235 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000332916524 312068393 /nfs/dbraw/zinc/06/83/93/312068393.db2.gz XNTWRJXSZPSKTO-ILXRZTDVSA-N 2 0 347.507 2.277 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000333782650 312196629 /nfs/dbraw/zinc/19/66/29/312196629.db2.gz LBXRMUBTAPUNOB-LFDJNIOPSA-N 2 0 342.487 2.119 10 0 EEAERP C[C@H]1COCCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354172773 312392266 /nfs/dbraw/zinc/39/22/66/312392266.db2.gz QVXVZWPQKIRNIZ-XSLAUPDRSA-N 2 0 343.515 2.492 10 0 EEAERP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)c1 ZINC000414714848 313067832 /nfs/dbraw/zinc/06/78/32/313067832.db2.gz QKPWASVXKNFZCV-MSOLQXFVSA-N 2 0 329.488 2.290 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCCC1 ZINC000416941611 313368174 /nfs/dbraw/zinc/36/81/74/313368174.db2.gz AJHXWYQVRXFRDL-SQNIBIBYSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416959307 313372254 /nfs/dbraw/zinc/37/22/54/313372254.db2.gz YTGPJMQHDKAESX-BZUAXINKSA-N 2 0 348.491 2.005 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000416972741 313378265 /nfs/dbraw/zinc/37/82/65/313378265.db2.gz STQXGHULNMHVMW-MAUKXSAKSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000417849609 313617119 /nfs/dbraw/zinc/61/71/19/313617119.db2.gz CWHVIAHEEVSYJE-MRXNPFEDSA-N 2 0 334.508 2.176 10 0 EEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418765659 313902670 /nfs/dbraw/zinc/90/26/70/313902670.db2.gz LZSBLTYGUKMBAS-CMPFZWEDSA-N 2 0 336.524 2.155 10 0 EEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000438994895 315062525 /nfs/dbraw/zinc/06/25/25/315062525.db2.gz CPFVXLLAHRJXQE-GOSISDBHSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000564064083 319064565 /nfs/dbraw/zinc/06/45/65/319064565.db2.gz GCZIPNCOVVFGLD-HNNXBMFYSA-N 2 0 330.476 2.476 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000564152142 319069193 /nfs/dbraw/zinc/06/91/93/319069193.db2.gz MCKXYPAIMXWVSV-HOTGVXAUSA-N 2 0 345.462 2.238 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])Cc1ccccc1 ZINC000566402561 319281735 /nfs/dbraw/zinc/28/17/35/319281735.db2.gz BQYKFTCCYVCDKZ-GOSISDBHSA-N 2 0 325.456 2.091 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000185240412 323434505 /nfs/dbraw/zinc/43/45/05/323434505.db2.gz WPGLGRKPMXDFPB-OAHLLOKOSA-N 2 0 338.521 2.478 10 0 EEAERP [NH3+]C[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)C1CCCC1 ZINC000579691807 323908776 /nfs/dbraw/zinc/90/87/76/323908776.db2.gz WZFXCDOFPSTXHN-IBGZPJMESA-N 2 0 329.488 2.476 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000341467049 465183225 /nfs/dbraw/zinc/18/32/25/465183225.db2.gz UWCOHTSFXXOOBO-FGTMMUONSA-N 2 0 334.508 2.273 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1(F)CCC1 ZINC000358565455 465196127 /nfs/dbraw/zinc/19/61/27/465196127.db2.gz ZGKLBLSZKNTZPZ-INIZCTEOSA-N 2 0 342.503 2.326 10 0 EEAERP O[C@@H]1[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC12CCOCC2 ZINC000298150409 465316300 /nfs/dbraw/zinc/31/63/00/465316300.db2.gz ROWIGLTVDGMHRM-VQIMIIECSA-N 2 0 345.487 2.208 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568151887 468278261 /nfs/dbraw/zinc/27/82/61/468278261.db2.gz OSBHXLRXWPBMLZ-QFBILLFUSA-N 2 0 327.472 2.277 10 0 EEAERP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[N@@H+]3CC[C@H](C)C3)c2)CC1 ZINC000568202877 468295000 /nfs/dbraw/zinc/29/50/00/468295000.db2.gz YTBDIGVNSCAWCD-KRWDZBQOSA-N 2 0 344.503 2.497 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918803 462554573 /nfs/dbraw/zinc/55/45/73/462554573.db2.gz FVCRWBFPANNSNG-HXUWFJFHSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H](c2nccn2C)C(F)(F)F)CC[N@@H+]1C ZINC000579128079 468315426 /nfs/dbraw/zinc/31/54/26/468315426.db2.gz JDWNDOSQWJJLGG-AGIUHOORSA-N 2 0 346.397 2.397 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694432 462725152 /nfs/dbraw/zinc/72/51/52/462725152.db2.gz ZUCKKHQYWGHJJD-AWEZNQCLSA-N 2 0 338.471 2.417 10 0 EEAERP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132365140 462852546 /nfs/dbraw/zinc/85/25/46/462852546.db2.gz XSYUKWFZESDWNK-YLJYHZDGSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000155209331 462860836 /nfs/dbraw/zinc/86/08/36/462860836.db2.gz LZGKFWQQRCSZBR-ZIFCJYIRSA-N 2 0 329.488 2.450 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000121978448 463227068 /nfs/dbraw/zinc/22/70/68/463227068.db2.gz UUBQBMOTPNKNJD-INIZCTEOSA-N 2 0 332.492 2.074 10 0 EEAERP Cc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3nccn3C)CC2)cc1 ZINC000105876163 463484852 /nfs/dbraw/zinc/48/48/52/463484852.db2.gz NHQLGMMFTWKKHA-GOSISDBHSA-N 2 0 343.471 2.423 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[N@@H+]1C1CC1 ZINC000125893118 463589174 /nfs/dbraw/zinc/58/91/74/463589174.db2.gz AGHIOPBFGCIOFR-CJNGLKHVSA-N 2 0 348.466 2.312 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000108544316 463614354 /nfs/dbraw/zinc/61/43/54/463614354.db2.gz PMWVTNWRPRVEOL-LJQANCHMSA-N 2 0 344.503 2.423 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170828706 463716163 /nfs/dbraw/zinc/71/61/63/463716163.db2.gz QDENWNQTOFTCAJ-LJQANCHMSA-N 2 0 344.503 2.305 10 0 EEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261627167 463807042 /nfs/dbraw/zinc/80/70/42/463807042.db2.gz CRFRUIYZKAQJMD-HNAYVOBHSA-N 2 0 345.487 2.082 10 0 EEAERP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261912235 463897127 /nfs/dbraw/zinc/89/71/27/463897127.db2.gz XSKQJZMSZPARSU-OXQOHEQNSA-N 2 0 329.488 2.484 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000186157090 463943544 /nfs/dbraw/zinc/94/35/44/463943544.db2.gz QWWFJTMJZNGUCQ-INIZCTEOSA-N 2 0 326.529 2.480 10 0 EEAERP C[N@@H+]1CC[C@]2(CCN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)C1 ZINC000292262728 464177684 /nfs/dbraw/zinc/17/76/84/464177684.db2.gz YSNXJHVPFITQJR-RTWAWAEBSA-N 2 0 343.515 2.305 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000173535520 464279097 /nfs/dbraw/zinc/27/90/97/464279097.db2.gz SXMZBEZEQPJWML-IBGZPJMESA-N 2 0 342.487 2.164 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000237332087 464305516 /nfs/dbraw/zinc/30/55/16/464305516.db2.gz FISACOZHCHKBGP-SQNIBIBYSA-N 2 0 331.460 2.073 10 0 EEAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768467 464336230 /nfs/dbraw/zinc/33/62/30/464336230.db2.gz KDNIRNQHHNINGO-HKUYNNGSSA-N 2 0 325.460 2.243 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000174662732 464435819 /nfs/dbraw/zinc/43/58/19/464435819.db2.gz OIIJMWMZWYSAEN-MOPGFXCFSA-N 2 0 327.472 2.348 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000175668722 464599087 /nfs/dbraw/zinc/59/90/87/464599087.db2.gz KIBWXMNYIOGAKO-QGZVFWFLSA-N 2 0 336.455 2.041 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000247527911 464691083 /nfs/dbraw/zinc/69/10/83/464691083.db2.gz XGXAHGRVFDQHBH-QAPCUYQASA-N 2 0 330.476 2.126 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249512489 464881958 /nfs/dbraw/zinc/88/19/58/464881958.db2.gz UXPCSWYMGJCCAH-FUHWJXTLSA-N 2 0 332.492 2.320 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000337357206 465325939 /nfs/dbraw/zinc/32/59/39/465325939.db2.gz FQWRDIDZPOLCFO-MJGOQNOKSA-N 2 0 344.503 2.435 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CCCOC3)cn2)CC1 ZINC000356829637 465561678 /nfs/dbraw/zinc/56/16/78/465561678.db2.gz ADXGZBNBGOIRLV-WMZOPIPTSA-N 2 0 332.492 2.128 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000366266383 465621691 /nfs/dbraw/zinc/62/16/91/465621691.db2.gz HFYDKHHFHVCCPD-UYAOXDASSA-N 2 0 331.504 2.209 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000360954301 465661228 /nfs/dbraw/zinc/66/12/28/465661228.db2.gz LOQOBCPUIVJGKB-UHFFFAOYSA-N 2 0 334.460 2.188 10 0 EEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(CC[C@@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324677 465796498 /nfs/dbraw/zinc/79/64/98/465796498.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 2 0 334.552 2.104 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)C2 ZINC000362718252 465970218 /nfs/dbraw/zinc/97/02/18/465970218.db2.gz VOMARFNFFMXPPC-VGUREELVSA-N 2 0 334.508 2.127 10 0 EEAERP CC(C)[NH+](CC1(C[N@@H+](C(C)C)[C@@H]2CCOC2)COC1)[C@@H]1CCOC1 ZINC000361408598 465970480 /nfs/dbraw/zinc/97/04/80/465970480.db2.gz OUXHQEOLVOQDFX-QZTJIDSGSA-N 2 0 340.508 2.002 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000372126192 466175153 /nfs/dbraw/zinc/17/51/53/466175153.db2.gz VKQLZNCLYLJUGA-UHFFFAOYSA-N 2 0 332.492 2.405 10 0 EEAERP Cc1ccncc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000354482838 466598514 /nfs/dbraw/zinc/59/85/14/466598514.db2.gz UVSGCNRRDYPTAH-UHFFFAOYSA-N 2 0 332.492 2.106 10 0 EEAERP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnn4ccccc34)CC2)CC1 ZINC000363889616 466647261 /nfs/dbraw/zinc/64/72/61/466647261.db2.gz QCSDIHCVLJAFRC-UHFFFAOYSA-N 2 0 341.503 2.184 10 0 EEAERP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423196139 466694812 /nfs/dbraw/zinc/69/48/12/466694812.db2.gz ZAPUOMKQBJDEBR-GDAAHCPNSA-N 2 0 333.451 2.151 10 0 EEAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H](O)COCc1ccccc1 ZINC000662252637 472042903 /nfs/dbraw/zinc/04/29/03/472042903.db2.gz CLMPYHQZPWQJHK-FQEVSTJZSA-N 2 0 340.467 2.342 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417051383 466765526 /nfs/dbraw/zinc/76/55/26/466765526.db2.gz ZTPURWGMCWHCDG-XLAORIBOSA-N 2 0 336.524 2.280 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccco1 ZINC000417316987 466832360 /nfs/dbraw/zinc/83/23/60/466832360.db2.gz VMHYZCFCGDNZCT-JKSUJKDBSA-N 2 0 334.464 2.198 10 0 EEAERP C[C@@H](CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417819401 466944636 /nfs/dbraw/zinc/94/46/36/466944636.db2.gz TUWBEHGJWCPWRE-SOLBZPMBSA-N 2 0 332.492 2.194 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417971113 467005963 /nfs/dbraw/zinc/00/59/63/467005963.db2.gz ADNPFZLOBRMQFB-CRAIPNDOSA-N 2 0 330.476 2.043 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418183584 467068173 /nfs/dbraw/zinc/06/81/73/467068173.db2.gz OLLZXDTXJZYOSD-LAQRGFTBSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+](C)C)cc1 ZINC000418208540 467076425 /nfs/dbraw/zinc/07/64/25/467076425.db2.gz QOTSNPZCKCTFGE-WBAXXEDZSA-N 2 0 348.491 2.208 10 0 EEAERP O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418344544 467096001 /nfs/dbraw/zinc/09/60/01/467096001.db2.gz SCPHHLRTNKHANN-MSOLQXFVSA-N 2 0 336.524 2.284 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])c2ccccc2)o1 ZINC000418454328 467113580 /nfs/dbraw/zinc/11/35/80/467113580.db2.gz QEAPUEOTEVLEDQ-GOSISDBHSA-N 2 0 344.459 2.361 10 0 EEAERP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCNC(=O)CC4)CC3)c2c1 ZINC000450892617 467199209 /nfs/dbraw/zinc/19/92/09/467199209.db2.gz PFQAJVLZTLJCAV-INIZCTEOSA-N 2 0 338.455 2.334 10 0 EEAERP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397600961 467443369 /nfs/dbraw/zinc/44/33/69/467443369.db2.gz UGRIEBSCYKPOEQ-UXHICEINSA-N 3 0 343.515 2.230 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)o1 ZINC000529302262 467842508 /nfs/dbraw/zinc/84/25/08/467842508.db2.gz JFXYJFSXHSPNPJ-NVXWUHKLSA-N 2 0 346.475 2.309 10 0 EEAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000529340483 467849770 /nfs/dbraw/zinc/84/97/70/467849770.db2.gz OSCKVTDHEUIIAZ-SOLBZPMBSA-N 2 0 332.492 2.274 10 0 EEAERP O=C(N1CC[NH2+]CC1)N1CCN(Cc2csc3ccccc23)CC1 ZINC000530224687 467964557 /nfs/dbraw/zinc/96/45/57/467964557.db2.gz VIAQFPMYOLBNDA-UHFFFAOYSA-N 2 0 344.484 2.044 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000516876249 468052703 /nfs/dbraw/zinc/05/27/03/468052703.db2.gz RXRLRNHCFSYVBJ-AWEZNQCLSA-N 2 0 337.430 2.451 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000532049703 468093005 /nfs/dbraw/zinc/09/30/05/468093005.db2.gz GGTBDBOHCRNUHG-KRWDZBQOSA-N 2 0 330.476 2.159 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000532049704 468093078 /nfs/dbraw/zinc/09/30/78/468093078.db2.gz GGTBDBOHCRNUHG-QGZVFWFLSA-N 2 0 330.476 2.159 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1 ZINC000488741370 468100515 /nfs/dbraw/zinc/10/05/15/468100515.db2.gz ZFUYZTTZBVPNKG-OBMJPTGESA-N 2 0 332.488 2.092 10 0 EEAERP CCC[C@H](O)[C@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519762989 468206717 /nfs/dbraw/zinc/20/67/17/468206717.db2.gz CDYQHXMATMAWJC-FHWLQOOXSA-N 2 0 332.488 2.295 10 0 EEAERP CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000582237313 468510603 /nfs/dbraw/zinc/51/06/03/468510603.db2.gz WCAWLNDDYLHEOJ-CHWSQXEVSA-N 2 0 333.457 2.018 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000600724322 468636611 /nfs/dbraw/zinc/63/66/11/468636611.db2.gz NKFOCRQRWVEGHP-HITAIPBASA-N 2 0 340.508 2.322 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000583082934 468642479 /nfs/dbraw/zinc/64/24/79/468642479.db2.gz RNIHWZZEYASVSV-HNNXBMFYSA-N 2 0 342.447 2.133 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600749912 468647609 /nfs/dbraw/zinc/64/76/09/468647609.db2.gz SXKPOTCKYKRAQF-ZLRVGEBUSA-N 2 0 340.508 2.179 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000595022336 468745075 /nfs/dbraw/zinc/74/50/75/468745075.db2.gz LHXASSCSBZFPFJ-XIRDDKMYSA-N 2 0 340.508 2.322 10 0 EEAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000571174763 468751028 /nfs/dbraw/zinc/75/10/28/468751028.db2.gz VKGUAMTULSHWAB-KGXSXCIVSA-N 2 0 342.487 2.024 10 0 EEAERP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322572 468938621 /nfs/dbraw/zinc/93/86/21/468938621.db2.gz MLRFCUNUYAPWCH-RCCFBDPRSA-N 2 0 332.444 2.334 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595716341 468966634 /nfs/dbraw/zinc/96/66/34/468966634.db2.gz ABMMSZZAAXUOES-GPMSIDNRSA-N 2 0 338.492 2.151 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000598977554 469073758 /nfs/dbraw/zinc/07/37/58/469073758.db2.gz KGJDSADCPZQZCF-LBPRGKRZSA-N 2 0 325.478 2.325 10 0 EEAERP COC(=O)c1cnc([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)s1 ZINC000595921772 469085801 /nfs/dbraw/zinc/08/58/01/469085801.db2.gz XLYMGSMBMVCORY-CYBMUJFWSA-N 2 0 334.445 2.396 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](Cc2ccc(F)cc2C)C(=O)NC)[C@H](C)C1 ZINC000563127518 469177620 /nfs/dbraw/zinc/17/76/20/469177620.db2.gz YGHLUXDHFNESGV-AYBZRNKSSA-N 2 0 349.494 2.359 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)CC1 ZINC000615315926 469216532 /nfs/dbraw/zinc/21/65/32/469216532.db2.gz VBROINVOTJQRCW-MAUKXSAKSA-N 2 0 330.476 2.157 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000618552351 469386916 /nfs/dbraw/zinc/38/69/16/469386916.db2.gz QHAUMJGSGUOYLH-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000618561432 469389146 /nfs/dbraw/zinc/38/91/46/469389146.db2.gz ZVTDOZNLQGQANT-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCCC1 ZINC000625944047 469444477 /nfs/dbraw/zinc/44/44/77/469444477.db2.gz DYYHLDHIJFOCNE-CQSZACIVSA-N 2 0 332.448 2.022 10 0 EEAERP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000629524462 469573326 /nfs/dbraw/zinc/57/33/26/469573326.db2.gz MKOYODOBZUVXRE-XUVXKRRUSA-N 2 0 343.515 2.385 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000626370880 469589120 /nfs/dbraw/zinc/58/91/20/469589120.db2.gz YIHFSRUDIKSDIT-MAUKXSAKSA-N 2 0 340.471 2.391 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1(C)C ZINC000623475183 469668462 /nfs/dbraw/zinc/66/84/62/469668462.db2.gz DBJFNCFQZLRGAK-ZWKOTPCHSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[NH2+]1 ZINC000626932994 469760312 /nfs/dbraw/zinc/76/03/12/469760312.db2.gz OKLQPAWSHIKMBU-QAPCUYQASA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626939447 469763622 /nfs/dbraw/zinc/76/36/22/469763622.db2.gz DLKGDJUPUODLTC-NXHRZFHOSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@H]([NH3+])CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627089181 469811028 /nfs/dbraw/zinc/81/10/28/469811028.db2.gz KXQUPLBMHVVABV-ZANVPECISA-N 2 0 333.263 2.243 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193834 469839155 /nfs/dbraw/zinc/83/91/55/469839155.db2.gz QQDYGLCFPGDYAK-AEFFLSMTSA-N 2 0 330.476 2.044 10 0 EEAERP O[C@@H](CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)F ZINC000631216710 470095758 /nfs/dbraw/zinc/09/57/58/470095758.db2.gz NMXFVHDXXLMZIP-INIZCTEOSA-N 2 0 328.403 2.267 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000633110985 470353095 /nfs/dbraw/zinc/35/30/95/470353095.db2.gz ZYEIAEMPRBPBDT-KRWDZBQOSA-N 2 0 338.540 2.480 10 0 EEAERP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000649350283 470556042 /nfs/dbraw/zinc/55/60/42/470556042.db2.gz YXBYJTZEKSIHFS-SFHVURJKSA-N 2 0 344.503 2.151 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000646335282 470608564 /nfs/dbraw/zinc/60/85/64/470608564.db2.gz ATDLLYHMHUWSFZ-RTBURBONSA-N 2 0 345.487 2.456 10 0 EEAERP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000644162071 470875021 /nfs/dbraw/zinc/87/50/21/470875021.db2.gz LWQOEWCNDMJLEY-QRVBRYPASA-N 2 0 341.430 2.039 10 0 EEAERP CN(c1ccccc1C[NH2+]CCC1(C[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000650713367 470948989 /nfs/dbraw/zinc/94/89/89/470948989.db2.gz QLXWWOHJGXUCOD-UHFFFAOYSA-N 3 0 330.520 2.436 10 0 EEAERP COc1cc(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899147 471010778 /nfs/dbraw/zinc/01/07/78/471010778.db2.gz AVEYDSJYRDZYNR-KBXCAEBGSA-N 2 0 347.459 2.106 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652164255 471248231 /nfs/dbraw/zinc/24/82/31/471248231.db2.gz ILMIKMCFNSCURE-SJLPKXTDSA-N 2 0 344.503 2.325 10 0 EEAERP C[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)c2cc(F)ccc2C[NH2+]1 ZINC000663494110 471399932 /nfs/dbraw/zinc/39/99/32/471399932.db2.gz MPCHSLRJVMBYDD-LLVKDONJSA-N 2 0 332.448 2.426 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000658994352 471461736 /nfs/dbraw/zinc/46/17/36/471461736.db2.gz PHNUVSIUYRPKDR-UHFFFAOYSA-N 2 0 346.475 2.362 10 0 EEAERP CN(C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666664401 471488378 /nfs/dbraw/zinc/48/83/78/471488378.db2.gz DFIPNLIEUAHDPM-CRAIPNDOSA-N 2 0 334.508 2.272 10 0 EEAERP CN(C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666664402 471488455 /nfs/dbraw/zinc/48/84/55/471488455.db2.gz DFIPNLIEUAHDPM-MAUKXSAKSA-N 2 0 334.508 2.272 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911671 471534873 /nfs/dbraw/zinc/53/48/73/471534873.db2.gz LGYXIMVKDRTFNE-CYBMUJFWSA-N 2 0 338.418 2.030 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655961895 471557862 /nfs/dbraw/zinc/55/78/62/471557862.db2.gz BUYRSXMKNJTJSL-QGTPRVQTSA-N 2 0 332.492 2.449 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659428588 471621935 /nfs/dbraw/zinc/62/19/35/471621935.db2.gz BOCPZTFQBZFTOY-UHFFFAOYSA-N 2 0 330.476 2.080 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1F ZINC000659429905 471622573 /nfs/dbraw/zinc/62/25/73/471622573.db2.gz YUDXQDNIFRBVDE-QZTJIDSGSA-N 2 0 348.466 2.253 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)NC1CC([NH+]2CCCCC2)C1 ZINC000661110726 471629578 /nfs/dbraw/zinc/62/95/78/471629578.db2.gz XIDBRRDBYUKKRQ-VIQWUECVSA-N 2 0 348.535 2.425 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659543311 471671878 /nfs/dbraw/zinc/67/18/78/471671878.db2.gz GJYIZBAYSVKDKB-WRFKIARRSA-N 2 0 342.487 2.103 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659543310 471672546 /nfs/dbraw/zinc/67/25/46/471672546.db2.gz GJYIZBAYSVKDKB-SHCNBLLESA-N 2 0 342.487 2.103 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000653945201 471785023 /nfs/dbraw/zinc/78/50/23/471785023.db2.gz NCVGCSNBJCNDDS-FZNQNYSPSA-N 2 0 334.464 2.089 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000664542307 471788432 /nfs/dbraw/zinc/78/84/32/471788432.db2.gz JVODVXJMIQBDOQ-YJBOKZPZSA-N 2 0 347.507 2.104 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795987 471907022 /nfs/dbraw/zinc/90/70/22/471907022.db2.gz XMJMAQLTMPQENR-ZIAGYGMSSA-N 2 0 331.464 2.112 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795985 471907173 /nfs/dbraw/zinc/90/71/73/471907173.db2.gz XMJMAQLTMPQENR-KBPBESRZSA-N 2 0 331.464 2.112 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000665289721 471991432 /nfs/dbraw/zinc/99/14/32/471991432.db2.gz VUQZXQVFGJTQPP-QGZVFWFLSA-N 2 0 330.476 2.039 10 0 EEAERP OCCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCCc2ccccc21 ZINC000662256852 472044435 /nfs/dbraw/zinc/04/44/35/472044435.db2.gz LPXGCFQVGDHWAW-HKUYNNGSSA-N 2 0 330.472 2.269 10 0 EEAERP CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662537225 472144201 /nfs/dbraw/zinc/14/42/01/472144201.db2.gz XZLYFWCUFQHPMD-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP C[NH+](C)CCOc1ccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662672759 472198298 /nfs/dbraw/zinc/19/82/98/472198298.db2.gz DHUGUDFBBJXYFR-UHFFFAOYSA-N 2 0 332.404 2.061 10 0 EEAERP CC1([NH3+])CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000668813931 472279469 /nfs/dbraw/zinc/27/94/69/472279469.db2.gz ICLCGSXQQYLMLR-UHFFFAOYSA-N 2 0 330.476 2.305 10 0 EEAERP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000684370241 485861514 /nfs/dbraw/zinc/86/15/14/485861514.db2.gz QGXPXGALFKQIHF-WOJBJXKFSA-N 2 0 331.504 2.481 10 0 EEAERP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000684391217 485866582 /nfs/dbraw/zinc/86/65/82/485866582.db2.gz RAWLNRXWGZNTMF-ROUUACIJSA-N 2 0 333.476 2.025 10 0 EEAERP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000680555430 486005007 /nfs/dbraw/zinc/00/50/07/486005007.db2.gz SLIWLZZUCCFSLO-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000675892046 486090826 /nfs/dbraw/zinc/09/08/26/486090826.db2.gz WLAVCJJTPGOSIG-PBHICJAKSA-N 2 0 340.431 2.215 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000676724262 486292524 /nfs/dbraw/zinc/29/25/24/486292524.db2.gz UZGQUTKVVVSFNO-UHFFFAOYSA-N 2 0 339.505 2.268 10 0 EEAERP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586474 486646074 /nfs/dbraw/zinc/64/60/74/486646074.db2.gz HJFAZQVUQVUTSE-AEFFLSMTSA-N 2 0 344.503 2.334 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1OC ZINC000422937855 536596824 /nfs/dbraw/zinc/59/68/24/536596824.db2.gz CXLDSIVPALMVHH-CYBMUJFWSA-N 2 0 331.254 2.301 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000777285586 577476022 /nfs/dbraw/zinc/47/60/22/577476022.db2.gz BWKVZVJJWGIBIK-ZFWWWQNUSA-N 2 0 340.899 2.478 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760467530 577663379 /nfs/dbraw/zinc/66/33/79/577663379.db2.gz FRLSDJNDVLYNOD-UHFFFAOYSA-N 2 0 340.581 2.257 10 0 EEAERP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCSC1 ZINC000896837975 685357271 /nfs/dbraw/zinc/35/72/71/685357271.db2.gz LYURKLCKJWWFKY-LMMKCTJWSA-N 2 0 347.528 2.233 10 0 EEAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC000924964645 682056640 /nfs/dbraw/zinc/05/66/40/682056640.db2.gz LQRPVKMXPOERKE-HJOIGYKYSA-N 2 0 347.528 2.487 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925214301 687556489 /nfs/dbraw/zinc/55/64/89/687556489.db2.gz FILWODCOUJDQNE-PXNSSMCTSA-N 2 0 330.520 2.408 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897580380 691642768 /nfs/dbraw/zinc/64/27/68/691642768.db2.gz NJTMPDRFKOJPEI-MOPGFXCFSA-N 2 0 346.519 2.313 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000925322457 692044078 /nfs/dbraw/zinc/04/40/78/692044078.db2.gz PPANSVJGADSUOW-OKZBNKHCSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n(C)n1 ZINC000924630183 692922258 /nfs/dbraw/zinc/92/22/58/692922258.db2.gz YXWBVEXVKZCMLQ-IEBWSBKVSA-N 2 0 347.551 2.055 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000899155147 693636059 /nfs/dbraw/zinc/63/60/59/693636059.db2.gz BKMIVKVTIYRJNU-CUWPLCDZSA-N 2 0 341.499 2.357 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000899224850 693670167 /nfs/dbraw/zinc/67/01/67/693670167.db2.gz XTBOJLIKBAZBGF-LPHOPBHVSA-N 2 0 342.487 2.251 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccn2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001485587369 1191858077 /nfs/dbraw/zinc/85/80/77/1191858077.db2.gz UVNRPKNJCVGAHA-SFHVURJKSA-N 2 0 344.503 2.284 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21)c1ccccc1 ZINC001485623899 1191866666 /nfs/dbraw/zinc/86/66/66/1191866666.db2.gz TUPRFDBMYLFHNO-HAGHYFMRSA-N 2 0 341.499 2.383 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485715040 1191906541 /nfs/dbraw/zinc/90/65/41/1191906541.db2.gz RKPJVVPMCBECTI-AAEUAGOBSA-N 2 0 344.912 2.265 10 0 EEAERP CCc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC001485732195 1191922482 /nfs/dbraw/zinc/92/24/82/1191922482.db2.gz DUMWKFWJQBZLJW-UKRRQHHQSA-N 2 0 338.521 2.174 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccnc1C ZINC001485751105 1191932366 /nfs/dbraw/zinc/93/23/66/1191932366.db2.gz IIGNDQDTVPRMIU-QAPCUYQASA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC[C@H]2CCCCO2)CC1 ZINC001485765956 1191940477 /nfs/dbraw/zinc/94/04/77/1191940477.db2.gz STQYNKDDEONKJL-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)o1 ZINC001485792336 1191954916 /nfs/dbraw/zinc/95/49/16/1191954916.db2.gz AMJOTUQTMBLMQU-MRXNPFEDSA-N 2 0 336.480 2.008 10 0 EEAERP CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccc(Cl)s1 ZINC001480866204 1176142384 /nfs/dbraw/zinc/14/23/84/1176142384.db2.gz XFQXUXBPMVQQQC-AWEZNQCLSA-N 2 0 341.908 2.291 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@H]1CC1(Cl)Cl ZINC001480880431 1176695891 /nfs/dbraw/zinc/69/58/91/1176695891.db2.gz ZVXBMSDDBJAXHJ-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001266769557 1177388017 /nfs/dbraw/zinc/38/80/17/1177388017.db2.gz BZMYPZVBOQDQAP-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001266804391 1177457122 /nfs/dbraw/zinc/45/71/22/1177457122.db2.gz HESGXLUVQRTKFT-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP CCOC1CC(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266854409 1177572982 /nfs/dbraw/zinc/57/29/82/1177572982.db2.gz NIWCAVWZDDYLJX-DAWZGUTISA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1)C1CCC1 ZINC001266870963 1177658747 /nfs/dbraw/zinc/65/87/47/1177658747.db2.gz RFEXYMJJWRMCDC-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001266935973 1177845491 /nfs/dbraw/zinc/84/54/91/1177845491.db2.gz NZTYSHMWMZZQNN-UHFFFAOYSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691304472 1177870219 /nfs/dbraw/zinc/87/02/19/1177870219.db2.gz BLYCQWNFDYYIBN-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001266960210 1177910505 /nfs/dbraw/zinc/91/05/05/1177910505.db2.gz FQYFSDILMILOLN-KRWDZBQOSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1nc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sc1C ZINC001691352005 1177950775 /nfs/dbraw/zinc/95/07/75/1177950775.db2.gz LABICFYQZXPSCC-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCCCc1ccccc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691413631 1178020748 /nfs/dbraw/zinc/02/07/48/1178020748.db2.gz SQZGSLUJIDQFFV-PMACEKPBSA-N 2 0 343.515 2.494 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691447436 1178836212 /nfs/dbraw/zinc/83/62/12/1178836212.db2.gz CMSQZYOLIWBFFD-RDJZCZTQSA-N 2 0 349.523 2.051 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001267372764 1178883610 /nfs/dbraw/zinc/88/36/10/1178883610.db2.gz XMMYALBUDUJINU-SFHVURJKSA-N 2 0 333.476 2.116 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c1C ZINC001267388134 1178950571 /nfs/dbraw/zinc/95/05/71/1178950571.db2.gz YFOFGTYPIHDGLD-SFHVURJKSA-N 2 0 335.492 2.138 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001267428887 1178995802 /nfs/dbraw/zinc/99/58/02/1178995802.db2.gz FZVSBTWDUGKEIL-IBGZPJMESA-N 2 0 335.467 2.447 10 0 EEAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001267480851 1179134337 /nfs/dbraw/zinc/13/43/37/1179134337.db2.gz BRLGIAHGMSBRRR-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267490450 1179161637 /nfs/dbraw/zinc/16/16/37/1179161637.db2.gz NHCSOARYRKINJV-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc2ncccc2c1 ZINC001481016779 1179501973 /nfs/dbraw/zinc/50/19/73/1179501973.db2.gz UAGPAMQCTSJOQQ-UHFFFAOYSA-N 2 0 340.471 2.269 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481119506 1179796783 /nfs/dbraw/zinc/79/67/83/1179796783.db2.gz WBAKRDSNUULTMO-IAGOWNOFSA-N 2 0 347.478 2.414 10 0 EEAERP COc1ccc(CC[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001481272206 1180587070 /nfs/dbraw/zinc/58/70/70/1180587070.db2.gz RLWYYQHEXBFIKA-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267930442 1180779925 /nfs/dbraw/zinc/77/99/25/1180779925.db2.gz FNBQVUMCLWECAB-KZNAEPCWSA-N 2 0 339.524 2.303 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001267933624 1180786389 /nfs/dbraw/zinc/78/63/89/1180786389.db2.gz KJNILZYCVNVCQO-QBPKDAKJSA-N 2 0 327.488 2.483 10 0 EEAERP COCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001267938739 1180794596 /nfs/dbraw/zinc/79/45/96/1180794596.db2.gz ICVCWVAEJNHJOP-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001481318242 1181019303 /nfs/dbraw/zinc/01/93/03/1181019303.db2.gz UEETXSHTEPGYQD-VXGBXAGGSA-N 2 0 344.912 2.217 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001481342709 1181074104 /nfs/dbraw/zinc/07/41/04/1181074104.db2.gz QBVJUDMNQWPZKP-RHSMWYFYSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001481342710 1181074533 /nfs/dbraw/zinc/07/45/33/1181074533.db2.gz QBVJUDMNQWPZKP-WMLDXEAASA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)n1ccc(C[N@@H+]2CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C2)n1 ZINC001481463301 1181467742 /nfs/dbraw/zinc/46/77/42/1181467742.db2.gz ZCAJSCNGPDXBTC-KRWDZBQOSA-N 2 0 349.523 2.132 10 0 EEAERP C[C@H](CC(=O)N(C)CCNCc1csc(C2CC2)n1)n1ccnc1 ZINC001691495053 1181538839 /nfs/dbraw/zinc/53/88/39/1181538839.db2.gz CYCUOZFRTDMGRE-CYBMUJFWSA-N 2 0 347.488 2.416 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCc3ccsc3)CC2)CC[N@@H+]1C ZINC001670784252 1181757804 /nfs/dbraw/zinc/75/78/04/1181757804.db2.gz JUFKTKYHACQYOC-GDBMZVCRSA-N 2 0 335.517 2.259 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)[C@H]1CCC[NH+]1C ZINC001268246040 1182075207 /nfs/dbraw/zinc/07/52/07/1182075207.db2.gz WHHWHVIALYAUQE-CHWSQXEVSA-N 2 0 336.307 2.055 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268414957 1182571075 /nfs/dbraw/zinc/57/10/75/1182571075.db2.gz NMPNWVINKRYPPA-JSGCOSHPSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)c1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422497 1182587423 /nfs/dbraw/zinc/58/74/23/1182587423.db2.gz CTQXXLATVIHBTQ-TZMCWYRMSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)no1 ZINC001268427558 1182599512 /nfs/dbraw/zinc/59/95/12/1182599512.db2.gz YAFMROAYAVGEOS-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ncoc1C[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001481912920 1182936811 /nfs/dbraw/zinc/93/68/11/1182936811.db2.gz KXXDJKJJIYMFOX-GASCZTMLSA-N 2 0 348.491 2.374 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001481990228 1183096339 /nfs/dbraw/zinc/09/63/39/1183096339.db2.gz RWQIBAOMVOKJNY-ROUUACIJSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)c1 ZINC001482065054 1183281174 /nfs/dbraw/zinc/28/11/74/1183281174.db2.gz GGYQNMHXTCHUQW-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCc1ccsc1 ZINC001268579001 1183345586 /nfs/dbraw/zinc/34/55/86/1183345586.db2.gz MSCQFNRPAQCQKH-LIMHQNJXSA-N 2 0 335.517 2.427 10 0 EEAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268793419 1183709444 /nfs/dbraw/zinc/70/94/44/1183709444.db2.gz OGWJZQIAVBPEKL-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]Cc1cscn1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268881014 1183789579 /nfs/dbraw/zinc/78/95/79/1183789579.db2.gz IWZDOQBRWVFGFD-UHFFFAOYSA-N 2 0 346.500 2.457 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCC(C)(C)C)CCO1)[NH+](CC)CC ZINC001482201062 1183907716 /nfs/dbraw/zinc/90/77/16/1183907716.db2.gz YMUQCBJKVOVDKF-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001269293688 1184148564 /nfs/dbraw/zinc/14/85/64/1184148564.db2.gz ZTRBWMMBSCANMI-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269759496 1184596763 /nfs/dbraw/zinc/59/67/63/1184596763.db2.gz CHKAJPDMYWBPRQ-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CC[NH2+]C/C=C\Cl)C2)C1 ZINC001269785461 1184622828 /nfs/dbraw/zinc/62/28/28/1184622828.db2.gz NMMWQWDRNQAEQD-GTOOTHNYSA-N 2 0 327.900 2.299 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269798303 1184626740 /nfs/dbraw/zinc/62/67/40/1184626740.db2.gz JJIGLMCOBOHDIW-QZTJIDSGSA-N 2 0 344.503 2.060 10 0 EEAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001482245485 1184659039 /nfs/dbraw/zinc/65/90/39/1184659039.db2.gz HQFRSRLNDSOXFC-ARJAWSKDSA-N 2 0 331.504 2.363 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001269981411 1184763506 /nfs/dbraw/zinc/76/35/06/1184763506.db2.gz LQPRFYIHDNLRML-CVEARBPZSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001270437046 1185100574 /nfs/dbraw/zinc/10/05/74/1185100574.db2.gz VJBJDPOBMKCFJB-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1scnc1C ZINC001482291787 1185124384 /nfs/dbraw/zinc/12/43/84/1185124384.db2.gz HYVBUFVMGBDMJJ-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270815483 1185417707 /nfs/dbraw/zinc/41/77/07/1185417707.db2.gz YCEWSABKEOALCU-HXUWFJFHSA-N 2 0 347.503 2.227 10 0 EEAERP CCOC(=O)COCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383351424 1185499157 /nfs/dbraw/zinc/49/91/57/1185499157.db2.gz WNSCWFDTZMLJHR-GOSISDBHSA-N 2 0 334.460 2.020 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001482364318 1185520162 /nfs/dbraw/zinc/52/01/62/1185520162.db2.gz GYZZFMDSOKDNIZ-ZWKOTPCHSA-N 2 0 347.503 2.070 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001482368945 1185531541 /nfs/dbraw/zinc/53/15/41/1185531541.db2.gz JVTGIKZKUPIHBL-INIZCTEOSA-N 2 0 349.523 2.275 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001482431954 1185698376 /nfs/dbraw/zinc/69/83/76/1185698376.db2.gz DJHABUGPWZBTNK-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001482444104 1185751245 /nfs/dbraw/zinc/75/12/45/1185751245.db2.gz IQTOPRCLCACZLD-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001270995137 1185797250 /nfs/dbraw/zinc/79/72/50/1185797250.db2.gz HSFFQYXAOOREMF-QGZVFWFLSA-N 2 0 331.504 2.458 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001482461903 1185928899 /nfs/dbraw/zinc/92/88/99/1185928899.db2.gz LHHYRQNQEUJAFJ-DOTOQJQBSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001271156528 1185990391 /nfs/dbraw/zinc/99/03/91/1185990391.db2.gz XQZCKQRNYPFFFF-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001271206480 1186081743 /nfs/dbraw/zinc/08/17/43/1186081743.db2.gz FZWJEOPHUCAFLP-KRWDZBQOSA-N 2 0 331.504 2.324 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001271576199 1186318781 /nfs/dbraw/zinc/31/87/81/1186318781.db2.gz MBRSKIZXMIBTJV-NVXWUHKLSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccn(CC)n1)[NH+](C)C ZINC001271600079 1186332609 /nfs/dbraw/zinc/33/26/09/1186332609.db2.gz NCPISMDOTAURHV-ZWKOTPCHSA-N 2 0 349.523 2.104 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(CC)CCO1 ZINC001272042155 1187228166 /nfs/dbraw/zinc/22/81/66/1187228166.db2.gz AYQTVQAKRJDMBC-GPXQEHKYSA-N 2 0 349.519 2.129 10 0 EEAERP CN(CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccns1 ZINC001482606453 1187360634 /nfs/dbraw/zinc/36/06/34/1187360634.db2.gz PTYWCXUKKAYSFM-HOCLYGCPSA-N 2 0 336.505 2.050 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482617862 1187428464 /nfs/dbraw/zinc/42/84/64/1187428464.db2.gz VNVXHZKYIVOICQ-UHFFFAOYSA-N 2 0 332.492 2.155 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)sc1C ZINC001482845094 1187764301 /nfs/dbraw/zinc/76/43/01/1187764301.db2.gz CIOVLSYSRNSVKT-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CC[NH2+]CCC[C@@H]1CCOC1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001482848025 1187767006 /nfs/dbraw/zinc/76/70/06/1187767006.db2.gz WEGCRZQCBUEMFZ-LSDHHAIUSA-N 2 0 344.459 2.478 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)sn1 ZINC001482851542 1187770722 /nfs/dbraw/zinc/77/07/22/1187770722.db2.gz ODPGIKBPTJHKEV-ZDUSSCGKSA-N 2 0 336.505 2.064 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CCc2cccs2)CC1 ZINC001691538336 1187799854 /nfs/dbraw/zinc/79/98/54/1187799854.db2.gz NORFEEJOOMKZGZ-UHFFFAOYSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)no1 ZINC001482886908 1187803038 /nfs/dbraw/zinc/80/30/38/1187803038.db2.gz VBTXVIKXTQGHJE-AWEZNQCLSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000689850713 1187954735 /nfs/dbraw/zinc/95/47/35/1187954735.db2.gz KCFXTPDIACMLHO-MJGOQNOKSA-N 2 0 332.488 2.418 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC001483025782 1188026096 /nfs/dbraw/zinc/02/60/96/1188026096.db2.gz YNVQSNFEZBSHCH-FPXQDXNASA-N 2 0 342.487 2.169 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccncc1Cl ZINC001691622980 1188322874 /nfs/dbraw/zinc/32/28/74/1188322874.db2.gz GTGRZNCFRSUNIQ-INIZCTEOSA-N 2 0 338.883 2.157 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@H]1CCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001483083880 1188445308 /nfs/dbraw/zinc/44/53/08/1188445308.db2.gz RVINNOVBSMGSFZ-WHLIDYPQSA-N 2 0 325.456 2.032 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(Cl)c1 ZINC001483184085 1189055696 /nfs/dbraw/zinc/05/56/96/1189055696.db2.gz IYUZZTCMDXSQIQ-CQSZACIVSA-N 2 0 335.879 2.339 10 0 EEAERP CC(C)c1ocnc1CN[C@@H](C)[C@H](C)NC(=O)CCn1ccnc1 ZINC001409388579 1189610269 /nfs/dbraw/zinc/61/02/69/1189610269.db2.gz SWPHZWMUUZUURF-KBPBESRZSA-N 2 0 333.436 2.068 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccns1 ZINC001485893551 1193632463 /nfs/dbraw/zinc/63/24/63/1193632463.db2.gz MUYWXJTVOMEVDB-ZBFHGGJFSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccn(C)n1 ZINC001485895174 1193632737 /nfs/dbraw/zinc/63/27/37/1193632737.db2.gz RBBSNKVFGXELEX-HNNXBMFYSA-N 2 0 349.523 2.010 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001485944305 1193653859 /nfs/dbraw/zinc/65/38/59/1193653859.db2.gz MDGVZSCYQLATFL-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC(F)(F)C1 ZINC001409582162 1190068707 /nfs/dbraw/zinc/06/87/07/1190068707.db2.gz WPDKVCAXIWSFCM-HIFRSBDPSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCc1ccccc1 ZINC001409640543 1190136309 /nfs/dbraw/zinc/13/63/09/1190136309.db2.gz LULXZQQCHHKHBP-KRWDZBQOSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCc1ccccc1 ZINC001409640593 1190136463 /nfs/dbraw/zinc/13/64/63/1190136463.db2.gz LULXZQQCHHKHBP-QGZVFWFLSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001483262331 1190287408 /nfs/dbraw/zinc/28/74/08/1190287408.db2.gz XGZVVSZBMHZOMD-ZFWWWQNUSA-N 2 0 331.451 2.248 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1cncs1 ZINC001483359226 1190402104 /nfs/dbraw/zinc/40/21/04/1190402104.db2.gz DFEWSSHFZCEQJE-HOCLYGCPSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483379179 1190423061 /nfs/dbraw/zinc/42/30/61/1190423061.db2.gz SDDSCMILFDCABW-KGLIPLIRSA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CCc1c(F)cccc1F ZINC001483421748 1190468641 /nfs/dbraw/zinc/46/86/41/1190468641.db2.gz SHROVERMVSJABU-AWEZNQCLSA-N 2 0 341.446 2.284 10 0 EEAERP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccnc1 ZINC001483427886 1190475319 /nfs/dbraw/zinc/47/53/19/1190475319.db2.gz WEQDZOIMMLMLGK-CQSZACIVSA-N 2 0 334.851 2.482 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483455936 1190484900 /nfs/dbraw/zinc/48/49/00/1190484900.db2.gz IMRORQHIBCVASW-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CCC[NH2+]Cc1ccncc1Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001483470190 1190491974 /nfs/dbraw/zinc/49/19/74/1190491974.db2.gz NIQFGMMWDUKSOA-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ncsc1C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483472194 1190495403 /nfs/dbraw/zinc/49/54/03/1190495403.db2.gz PYXXOIKSINHHEY-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2CCOCC2)CCCCC1 ZINC001409782126 1190607429 /nfs/dbraw/zinc/60/74/29/1190607429.db2.gz MVQDAMFOARCOLZ-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1oc(C)nc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409816623 1190647945 /nfs/dbraw/zinc/64/79/45/1190647945.db2.gz DANYDVKLMRTVPF-HOTGVXAUSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ccncc1C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001409821254 1190653384 /nfs/dbraw/zinc/65/33/84/1190653384.db2.gz BVGCAXMHMNVTGH-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483655326 1190712079 /nfs/dbraw/zinc/71/20/79/1190712079.db2.gz MWPYRRSSYNNGTN-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nccn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483702549 1190776546 /nfs/dbraw/zinc/77/65/46/1190776546.db2.gz PZJLGSUZQQGVFU-QGZVFWFLSA-N 2 0 337.427 2.064 10 0 EEAERP O=C(NCC1([NH2+]CC[C@@H]2CCCC2(F)F)CC1)C12CC[NH+](CC1)C2 ZINC001483784854 1191026903 /nfs/dbraw/zinc/02/69/03/1191026903.db2.gz VRDBCRLBPHUIOK-AWEZNQCLSA-N 2 0 341.446 2.146 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001484199611 1191270235 /nfs/dbraw/zinc/27/02/35/1191270235.db2.gz ZARQFHHEEJOCNX-CABCVRRESA-N 2 0 333.467 2.448 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484550308 1191409800 /nfs/dbraw/zinc/40/98/00/1191409800.db2.gz RNYYYXZZZMBYFF-PKOBYXMFSA-N 2 0 346.519 2.304 10 0 EEAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001484573271 1191422429 /nfs/dbraw/zinc/42/24/29/1191422429.db2.gz LDWWSPFFFXVIMO-BZSNNMDCSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001484662841 1191462982 /nfs/dbraw/zinc/46/29/82/1191462982.db2.gz XQMCCNLQKOQFTJ-UHFFFAOYSA-N 2 0 333.451 2.358 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCOC)CC1 ZINC001484717375 1191481260 /nfs/dbraw/zinc/48/12/60/1191481260.db2.gz WLENKWYARSSHKX-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)Cc1ccccn1 ZINC001484769484 1191512375 /nfs/dbraw/zinc/51/23/75/1191512375.db2.gz WDLSXBAHNJLJTA-CALCHBBNSA-N 2 0 332.492 2.235 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CC3CCCC3)C2)C1 ZINC001484797938 1191529848 /nfs/dbraw/zinc/52/98/48/1191529848.db2.gz VPHABHJGTGWJMK-ROUUACIJSA-N 2 0 349.519 2.011 10 0 EEAERP CCOCCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001484906598 1191570354 /nfs/dbraw/zinc/57/03/54/1191570354.db2.gz MBZWTQXXLANBLA-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001485215607 1191688731 /nfs/dbraw/zinc/68/87/31/1191688731.db2.gz MLWLOEXUAMEQNY-GJZGRUSLSA-N 2 0 349.906 2.461 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC=C(Cl)Cl)C(=O)C[NH+]1CCCC1 ZINC001485264964 1191710774 /nfs/dbraw/zinc/71/07/74/1191710774.db2.gz NCVNONOTOZUEGU-UHFFFAOYSA-N 2 0 336.307 2.475 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCCC1 ZINC001485448516 1191788725 /nfs/dbraw/zinc/78/87/25/1191788725.db2.gz VIKDBJWCSBDOHN-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]C/C=C\Cl)CCCCC2)C1 ZINC001485456291 1191792125 /nfs/dbraw/zinc/79/21/25/1191792125.db2.gz OSLXOJWIQGCFAN-HMZQOCAUSA-N 2 0 327.900 2.489 10 0 EEAERP O=C(Cn1ccnc1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001486167440 1193709504 /nfs/dbraw/zinc/70/95/04/1193709504.db2.gz PXPRWWNHYGIUME-BFHYXJOUSA-N 2 0 344.381 2.052 10 0 EEAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1Cc1cccc(F)c1F ZINC001486180511 1193717444 /nfs/dbraw/zinc/71/74/44/1193717444.db2.gz NGTLBOFNPRDALR-XJKSGUPXSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c(C)n1 ZINC001486181329 1193718323 /nfs/dbraw/zinc/71/83/23/1193718323.db2.gz SLXWGTIGYUZZJZ-WMZOPIPTSA-N 2 0 332.492 2.119 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001486249866 1193776734 /nfs/dbraw/zinc/77/67/34/1193776734.db2.gz LEANKRNKTQELCF-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001486302580 1193807218 /nfs/dbraw/zinc/80/72/18/1193807218.db2.gz FNMUZXUHNRUHKZ-DLBZAZTESA-N 2 0 341.540 2.094 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001486418261 1193948850 /nfs/dbraw/zinc/94/88/50/1193948850.db2.gz SNTKRZVVGREUBW-DLBZAZTESA-N 2 0 341.540 2.406 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccccn2)CC1)[NH+](CC)CC ZINC001486515743 1194036170 /nfs/dbraw/zinc/03/61/70/1194036170.db2.gz OQGGZHZMRSSOFU-LJQANCHMSA-N 2 0 344.503 2.450 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC=C(CNC(=O)CCCC[NH+](C)C)CC2)o1 ZINC001486519780 1194040986 /nfs/dbraw/zinc/04/09/86/1194040986.db2.gz UAQNZXNWXJACIY-UHFFFAOYSA-N 2 0 348.491 2.272 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](Cc2ccccn2)CC1 ZINC001486521278 1194043427 /nfs/dbraw/zinc/04/34/27/1194043427.db2.gz USFPANNLTMQLID-IAGOWNOFSA-N 2 0 342.487 2.203 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001409974324 1195971055 /nfs/dbraw/zinc/97/10/55/1195971055.db2.gz MMSSOQNLAKSSRP-OAHLLOKOSA-N 2 0 333.451 2.166 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001409975023 1195990019 /nfs/dbraw/zinc/99/00/19/1195990019.db2.gz MYIPLFTXGIGREL-HUUCEWRRSA-N 2 0 333.451 2.419 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001691673059 1197470370 /nfs/dbraw/zinc/47/03/70/1197470370.db2.gz RDCMBHIPSJZORV-XUVXKRRUSA-N 2 0 343.515 2.445 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001410173122 1197583047 /nfs/dbraw/zinc/58/30/47/1197583047.db2.gz BEBHOIHFAZQQKO-CEXWTWQISA-N 2 0 329.488 2.355 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001410205909 1197602884 /nfs/dbraw/zinc/60/28/84/1197602884.db2.gz CKLTWBBTFGIHNX-KKUMJFAQSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001410368315 1197758966 /nfs/dbraw/zinc/75/89/66/1197758966.db2.gz AVWCSPQASNFBAY-YJBOKZPZSA-N 2 0 347.478 2.412 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001410399245 1197804092 /nfs/dbraw/zinc/80/40/92/1197804092.db2.gz UZIASTNQABGYKN-LPHOPBHVSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1Cl ZINC001410436738 1197891864 /nfs/dbraw/zinc/89/18/64/1197891864.db2.gz OBKXUMJZSFRYKX-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872148042 1198056187 /nfs/dbraw/zinc/05/61/87/1198056187.db2.gz HGOJSYGCHCUPRI-RISCZKNCSA-N 2 0 345.365 2.093 10 0 EEAERP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1)C1CCCC1 ZINC000872158416 1198065160 /nfs/dbraw/zinc/06/51/60/1198065160.db2.gz UZRZABANYGOYDM-LPHOPBHVSA-N 2 0 344.503 2.317 10 0 EEAERP CC(C)[C@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257558 1198114591 /nfs/dbraw/zinc/11/45/91/1198114591.db2.gz SYGJRXAATYEMOK-HCXYKTFWSA-N 2 0 343.471 2.293 10 0 EEAERP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012101 1198454176 /nfs/dbraw/zinc/45/41/76/1198454176.db2.gz QEDLXDDUJPYTKX-HZPDHXFCSA-N 3 0 342.487 2.419 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cncc(-c3ccccc3)n2)C[C@H]1C[NH+](C)C ZINC000866011748 1198454253 /nfs/dbraw/zinc/45/42/53/1198454253.db2.gz KKHJZUQEZDRHPR-QZTJIDSGSA-N 2 0 339.487 2.319 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000866012312 1198454438 /nfs/dbraw/zinc/45/44/38/1198454438.db2.gz XSDZSXWMTRHGMU-CHWSQXEVSA-N 2 0 330.398 2.276 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2ccccc2OC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001410869936 1198515758 /nfs/dbraw/zinc/51/57/58/1198515758.db2.gz WYEGVONFXZGZPB-MAUKXSAKSA-N 2 0 345.487 2.259 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(C)C)CC2 ZINC001410891149 1198544798 /nfs/dbraw/zinc/54/47/98/1198544798.db2.gz SCIXTTUMCAQJHI-BQFCYCMXSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)CCc3c[nH]cn3)CC2)CC1 ZINC001411251513 1198974547 /nfs/dbraw/zinc/97/45/47/1198974547.db2.gz JYYHJRVDDRTPNC-AWEZNQCLSA-N 2 0 336.455 2.451 10 0 EEAERP CN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000811524876 1200106540 /nfs/dbraw/zinc/10/65/40/1200106540.db2.gz OXVIPNDTPOQQHU-DPXCBNATSA-N 2 0 325.472 2.283 10 0 EEAERP C/C(=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccs1 ZINC000870017671 1200409474 /nfs/dbraw/zinc/40/94/74/1200409474.db2.gz RAEJFLTZPNPPAM-BNSCMJDNSA-N 2 0 335.517 2.349 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870859534 1200915553 /nfs/dbraw/zinc/91/55/53/1200915553.db2.gz QMODICACAGZUCC-UHFFFAOYSA-N 2 0 342.487 2.218 10 0 EEAERP CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870860637 1200917444 /nfs/dbraw/zinc/91/74/44/1200917444.db2.gz OJUZUAPVXUKIJL-CQSZACIVSA-N 2 0 340.265 2.049 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000870917917 1200952863 /nfs/dbraw/zinc/95/28/63/1200952863.db2.gz DRFYOGIYBKZZKU-UHFFFAOYSA-N 2 0 327.472 2.431 10 0 EEAERP c1ccc(C[N@@H+]2CC[C@@H](N3CCC[C@H]([NH2+]C4CCOCC4)C3)C2)cc1 ZINC000880205708 1201421290 /nfs/dbraw/zinc/42/12/90/1201421290.db2.gz UJPRTJMOYREGGR-LEWJYISDSA-N 2 0 343.515 2.494 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)OCCC(F)(F)F ZINC000866688648 1201580879 /nfs/dbraw/zinc/58/08/79/1201580879.db2.gz VJYSSOSXYOIBEU-CYBMUJFWSA-N 2 0 339.402 2.423 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000866706651 1201585568 /nfs/dbraw/zinc/58/55/68/1201585568.db2.gz BXBGOVYVAWADDQ-NZSAHSFTSA-N 2 0 337.423 2.207 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717877 1201588030 /nfs/dbraw/zinc/58/80/30/1201588030.db2.gz SHIRAFWSEVNEGK-NQPDJEJGSA-N 2 0 344.455 2.326 10 0 EEAERP c1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)n(-c2cc[nH+]cc2)n1 ZINC000883253257 1202036504 /nfs/dbraw/zinc/03/65/04/1202036504.db2.gz NBPIIHXWXRIYCZ-SFHVURJKSA-N 2 0 342.443 2.333 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001274002570 1204288334 /nfs/dbraw/zinc/28/83/34/1204288334.db2.gz LWGNAGLGNLPKDG-ZWKOTPCHSA-N 2 0 349.519 2.225 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCCO1 ZINC001274023812 1204329709 /nfs/dbraw/zinc/32/97/09/1204329709.db2.gz FMUDTJWHUDYTJX-IFOCYFHOSA-N 2 0 337.508 2.080 10 0 EEAERP C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001274289729 1204987740 /nfs/dbraw/zinc/98/77/40/1204987740.db2.gz PXXGEPOJQRMVHW-QAPCUYQASA-N 2 0 332.492 2.370 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001274310275 1204993066 /nfs/dbraw/zinc/99/30/66/1204993066.db2.gz OKNNIVNZSYMNHS-CJEFGCBOSA-N 2 0 345.487 2.188 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCO1)[NH+]1CCCCCC1 ZINC001274412021 1205026000 /nfs/dbraw/zinc/02/60/00/1205026000.db2.gz CCYXCUXYOSWRPS-UBZMYNMCSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429797 1205033654 /nfs/dbraw/zinc/03/36/54/1205033654.db2.gz GWIRTEGMTIQYMA-GTVVJKOOSA-N 2 0 341.446 2.311 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001274578389 1205086294 /nfs/dbraw/zinc/08/62/94/1205086294.db2.gz HYRYDBGRPDJRDW-OJHZYUNUSA-N 2 0 349.425 2.166 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275768711 1205519116 /nfs/dbraw/zinc/51/91/16/1205519116.db2.gz PXZDELWZYNLJOD-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275806737 1205542784 /nfs/dbraw/zinc/54/27/84/1205542784.db2.gz PMZQUXLFXWLRDU-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC001276190024 1205826057 /nfs/dbraw/zinc/82/60/57/1205826057.db2.gz MDBRIEKJNRLXRO-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccnnc1 ZINC000924609181 1206003255 /nfs/dbraw/zinc/00/32/55/1206003255.db2.gz BUZGIJUSBVXPNT-KRWDZBQOSA-N 2 0 325.460 2.340 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924794961 1206033091 /nfs/dbraw/zinc/03/30/91/1206033091.db2.gz JYUUWYBARGLDNM-IBGZPJMESA-N 2 0 347.503 2.330 10 0 EEAERP COc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)on1 ZINC000925155053 1206077614 /nfs/dbraw/zinc/07/76/14/1206077614.db2.gz KBUDHDVKFIQBIQ-OAHLLOKOSA-N 2 0 336.480 2.284 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000925254764 1206087589 /nfs/dbraw/zinc/08/75/89/1206087589.db2.gz ATHNMDFNPNLFMJ-HQPYMTOTSA-N 2 0 341.499 2.150 10 0 EEAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000925441436 1206112235 /nfs/dbraw/zinc/11/22/35/1206112235.db2.gz PNVWBMQIVJIKHM-OALUTQOASA-N 2 0 347.503 2.129 10 0 EEAERP C(Cc1nnc2n1CCCCC2)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925534257 1206124580 /nfs/dbraw/zinc/12/45/80/1206124580.db2.gz UFSYCSWCIXHICJ-DLBZAZTESA-N 2 0 331.508 2.305 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925551154 1206126421 /nfs/dbraw/zinc/12/64/21/1206126421.db2.gz FINXGUVLLGLRTI-KXBFYZLASA-N 2 0 345.487 2.404 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925579447 1206131434 /nfs/dbraw/zinc/13/14/34/1206131434.db2.gz DVXQJISGDJJHFG-KFWWJZLASA-N 2 0 331.460 2.296 10 0 EEAERP COc1ccc([C@@H](CN[C@@H]2CC[NH2+]C23CCC3)[NH+](C)C)cc1OC ZINC000925620011 1206136583 /nfs/dbraw/zinc/13/65/83/1206136583.db2.gz DGQGYQKZILKVLA-CRAIPNDOSA-N 2 0 333.476 2.181 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925667647 1206141978 /nfs/dbraw/zinc/14/19/78/1206141978.db2.gz DCXPZLDKDCMMNZ-IAGOWNOFSA-N 3 0 334.508 2.408 10 0 EEAERP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809194 1206155967 /nfs/dbraw/zinc/15/59/67/1206155967.db2.gz BJMFBLORKBFWAE-INIZCTEOSA-N 2 0 325.460 2.041 10 0 EEAERP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC000925812936 1206156860 /nfs/dbraw/zinc/15/68/60/1206156860.db2.gz DKJPLULVVXSEFP-UXHICEINSA-N 2 0 331.504 2.385 10 0 EEAERP CSCC1CCC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925849833 1206160462 /nfs/dbraw/zinc/16/04/62/1206160462.db2.gz QPHWQKVAFKKEQZ-YMAMQOFZSA-N 2 0 326.506 2.183 10 0 EEAERP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850491 1206160521 /nfs/dbraw/zinc/16/05/21/1206160521.db2.gz BGCBYPPLSSELHM-AEFFLSMTSA-N 2 0 344.455 2.348 10 0 EEAERP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853004 1206160863 /nfs/dbraw/zinc/16/08/63/1206160863.db2.gz JDLYNXGGGQDSIX-LSDHHAIUSA-N 2 0 332.444 2.340 10 0 EEAERP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858956 1206162180 /nfs/dbraw/zinc/16/21/80/1206162180.db2.gz XBEMKEGQEXAHIB-HUUCEWRRSA-N 2 0 332.444 2.421 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926157579 1206199557 /nfs/dbraw/zinc/19/95/57/1206199557.db2.gz YNIFSBCZMLKIIJ-IAGOWNOFSA-N 2 0 348.516 2.497 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000928096234 1206341413 /nfs/dbraw/zinc/34/14/13/1206341413.db2.gz QYRIZKKRXAJBKC-IRXDYDNUSA-N 2 0 333.501 2.058 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CCC5(COC5)O4)C[C@H]3C2)cc1 ZINC000931746524 1207454992 /nfs/dbraw/zinc/45/49/92/1207454992.db2.gz FZGNDFBXDHSZJR-XUVXKRRUSA-N 2 0 342.483 2.388 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000933736057 1207829762 /nfs/dbraw/zinc/82/97/62/1207829762.db2.gz QVGSYHBXNSCYLS-ZACQAIPSSA-N 2 0 342.405 2.492 10 0 EEAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720829280 1215965359 /nfs/dbraw/zinc/96/53/59/1215965359.db2.gz CDQRSPRLUHMTIM-CTAFRAEOSA-N 2 0 341.499 2.355 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1)CN1CC[NH+](C)CC1 ZINC000902789183 1238534670 /nfs/dbraw/zinc/53/46/70/1238534670.db2.gz DESRDZFJLLXCMU-QZTJIDSGSA-N 2 0 341.503 2.406 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000902789384 1238535055 /nfs/dbraw/zinc/53/50/55/1238535055.db2.gz GPHXOEREHXRORZ-MISYRCLQSA-N 2 0 337.552 2.445 10 0 EEAERP CC(C)C[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC000902790151 1238537728 /nfs/dbraw/zinc/53/77/28/1238537728.db2.gz MUDPWSSEUMSKPG-MJGOQNOKSA-N 2 0 325.541 2.301 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439310 1240475285 /nfs/dbraw/zinc/47/52/85/1240475285.db2.gz FPNOYMBASAAWFR-MCIONIFRSA-N 2 0 335.414 2.237 10 0 EEAERP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729175 1241742986 /nfs/dbraw/zinc/74/29/86/1241742986.db2.gz JYWBEYJAXBHCCT-BXWFABGCSA-N 2 0 330.428 2.321 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCCOc2ccc(F)cc2)cnn1C ZINC000903886719 1242326504 /nfs/dbraw/zinc/32/65/04/1242326504.db2.gz VERJSJDTJKQXST-INIZCTEOSA-N 2 0 348.466 2.386 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC3(CCSCC3)CC2)cnn1C ZINC000903934424 1242563052 /nfs/dbraw/zinc/56/30/52/1242563052.db2.gz GVPQICQSGJRQQD-INIZCTEOSA-N 2 0 336.549 2.455 10 0 EEAERP C[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937285 1242584079 /nfs/dbraw/zinc/58/40/79/1242584079.db2.gz HCELBPWLGABDQL-MMNRESRNSA-N 2 0 329.444 2.474 10 0 EEAERP Cc1csc([C@H]2CC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903937780 1242585334 /nfs/dbraw/zinc/58/53/34/1242585334.db2.gz RDHFCFIUGQKOJW-GJZGRUSLSA-N 2 0 333.505 2.100 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001490924853 1258486826 /nfs/dbraw/zinc/48/68/26/1258486826.db2.gz QIDCKAYYPCTENS-HDJSIYSDSA-N 2 0 327.831 2.168 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001491109035 1258696321 /nfs/dbraw/zinc/69/63/21/1258696321.db2.gz XQOOFPCUYQNHIQ-SJLPKXTDSA-N 2 0 339.499 2.296 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491181879 1258746595 /nfs/dbraw/zinc/74/65/95/1258746595.db2.gz RUYRXVXAPLBONR-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001491414299 1259058032 /nfs/dbraw/zinc/05/80/32/1259058032.db2.gz STIRSYSRCYNOHK-DOMZBBRYSA-N 2 0 343.393 2.394 10 0 EEAERP C[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1)[NH+]1CCCCCC1 ZINC001272581270 1277919802 /nfs/dbraw/zinc/91/98/02/1277919802.db2.gz FZLXBORKBJUATB-IAGOWNOFSA-N 2 0 348.491 2.267 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)nsc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273710525 1283848022 /nfs/dbraw/zinc/84/80/22/1283848022.db2.gz XXAFEPUWBHHZCP-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001490566809 1291464268 /nfs/dbraw/zinc/46/42/68/1291464268.db2.gz DHJLAEVCJINOOH-IBGZPJMESA-N 2 0 347.503 2.367 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000851785547 1291831009 /nfs/dbraw/zinc/83/10/09/1291831009.db2.gz QLVCEJQZAJOZOH-CVEARBPZSA-N 2 0 348.424 2.379 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858127572 1294014606 /nfs/dbraw/zinc/01/46/06/1294014606.db2.gz JBAVCVLEKIRTNR-UHFFFAOYSA-N 2 0 329.286 2.394 10 0 EEAERP Cc1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(C)s1 ZINC000863549235 1296329408 /nfs/dbraw/zinc/32/94/08/1296329408.db2.gz DOKORYRIWPVFMP-CVEARBPZSA-N 2 0 335.473 2.122 10 0 EEAERP Cc1cccc(C)c1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550082 1296329435 /nfs/dbraw/zinc/32/94/35/1296329435.db2.gz YHBHYQHMPQNUNH-MSOLQXFVSA-N 2 0 329.444 2.060 10 0 EEAERP Cc1cc(C)cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863550352 1296329765 /nfs/dbraw/zinc/32/97/65/1296329765.db2.gz VQNGHFDKWPTIMN-MSOLQXFVSA-N 2 0 329.444 2.060 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001277290774 1302214975 /nfs/dbraw/zinc/21/49/75/1302214975.db2.gz MQUBUJLDUSHUAS-MRXNPFEDSA-N 2 0 332.492 2.106 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277475211 1303569970 /nfs/dbraw/zinc/56/99/70/1303569970.db2.gz XETRRMOCJZBEQF-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001278017016 1305696658 /nfs/dbraw/zinc/69/66/58/1305696658.db2.gz GVWWLHAGBKEYIE-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CCCC2)C1 ZINC001278273791 1308945575 /nfs/dbraw/zinc/94/55/75/1308945575.db2.gz ABXUWWFXGMKDTC-KMWJSLMQSA-N 2 0 327.900 2.345 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C(F)(F)F ZINC001278705636 1317803758 /nfs/dbraw/zinc/80/37/58/1317803758.db2.gz XSIWWVHXZFIJPL-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP COCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001278972924 1318887430 /nfs/dbraw/zinc/88/74/30/1318887430.db2.gz LFKLMZMZLUKHMP-JKSUJKDBSA-N 2 0 327.513 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001264301652 1322669656 /nfs/dbraw/zinc/66/96/56/1322669656.db2.gz YQTDDFCMGHDMOY-UKRRQHHQSA-N 2 0 338.883 2.012 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001265291878 1323042919 /nfs/dbraw/zinc/04/29/19/1323042919.db2.gz APQJRKLPJOICJL-OAHLLOKOSA-N 2 0 327.432 2.262 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001265494238 1323182290 /nfs/dbraw/zinc/18/22/90/1323182290.db2.gz KUKGGVLMJUWYNF-BHIYHBOVSA-N 2 0 329.488 2.198 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCCCF)C1 ZINC001265613501 1323267355 /nfs/dbraw/zinc/26/73/55/1323267355.db2.gz QAEBKOFVOLENLZ-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCCCF)C1 ZINC001265613500 1323267832 /nfs/dbraw/zinc/26/78/32/1323267832.db2.gz QAEBKOFVOLENLZ-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCC(F)(F)CC1 ZINC001265974716 1323535122 /nfs/dbraw/zinc/53/51/22/1323535122.db2.gz YRQINLGPPIGMLR-UHFFFAOYSA-N 2 0 331.451 2.346 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccnc1C ZINC001266077151 1323633869 /nfs/dbraw/zinc/63/38/69/1323633869.db2.gz AXADTDOPICXRPK-WMZOPIPTSA-N 2 0 346.519 2.449 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ocnc1C ZINC001266111859 1323678200 /nfs/dbraw/zinc/67/82/00/1323678200.db2.gz BNXKMBAOVXRYQJ-GASCZTMLSA-N 2 0 336.480 2.184 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001279564689 1323937663 /nfs/dbraw/zinc/93/76/63/1323937663.db2.gz FYMUVFIDDNUYMJ-ZWKOTPCHSA-N 2 0 349.519 2.107 10 0 EEAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001279687105 1323978396 /nfs/dbraw/zinc/97/83/96/1323978396.db2.gz FDHZAXAFRQZINQ-XDXAGZTOSA-N 2 0 349.519 2.059 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001280307738 1324152517 /nfs/dbraw/zinc/15/25/17/1324152517.db2.gz NYXLXAFKDNCWPQ-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP COCC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001280350087 1324165728 /nfs/dbraw/zinc/16/57/28/1324165728.db2.gz CXNSSQGFHOFFOH-INIZCTEOSA-N 2 0 345.487 2.228 10 0 EEAERP O=C(N[C@H](C[NH2+]CCc1ccccc1)C1CC1)C12CCC[NH+]1CCC2 ZINC001276619269 1324818573 /nfs/dbraw/zinc/81/85/73/1324818573.db2.gz VGDGLWNYTSDUOF-LJQANCHMSA-N 2 0 341.499 2.342 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCc2cccs2)C2CC2)C1 ZINC001276655432 1324981734 /nfs/dbraw/zinc/98/17/34/1324981734.db2.gz CERATHMITSWXKB-WMLDXEAASA-N 2 0 335.517 2.117 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001281684549 1325398655 /nfs/dbraw/zinc/39/86/55/1325398655.db2.gz TXPXIWKAUQWZBE-IAGOWNOFSA-N 2 0 327.513 2.111 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCOC)C1 ZINC001281878802 1325497462 /nfs/dbraw/zinc/49/74/62/1325497462.db2.gz YBVIMMRUQMXBBQ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001281889221 1325500470 /nfs/dbraw/zinc/50/04/70/1325500470.db2.gz ZXKPNJRAIAGOKL-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001282274490 1325674358 /nfs/dbraw/zinc/67/43/58/1325674358.db2.gz JHVOZNQAPZREQK-UHFFFAOYSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001282593941 1325748452 /nfs/dbraw/zinc/74/84/52/1325748452.db2.gz JUNZKHQGQSLNIA-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)COCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001282677617 1325763225 /nfs/dbraw/zinc/76/32/25/1325763225.db2.gz CNGPEZDPENGDES-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CCC[NH2+]CCC1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283175962 1325944945 /nfs/dbraw/zinc/94/49/45/1325944945.db2.gz FLPBJRVQQHDHNT-JFIYKMOQSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001316633997 1326643972 /nfs/dbraw/zinc/64/39/72/1326643972.db2.gz YADFSOHANIIPKL-BPLDGKMQSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491764325 1330246733 /nfs/dbraw/zinc/24/67/33/1330246733.db2.gz SNAQVTKWJDHNEU-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001491830173 1330266899 /nfs/dbraw/zinc/26/68/99/1330266899.db2.gz XQALNTLHFGQRMF-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP C[C@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491955700 1330348259 /nfs/dbraw/zinc/34/82/59/1330348259.db2.gz DAXBPWKYRUOTSD-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1F ZINC001492110954 1330479817 /nfs/dbraw/zinc/47/98/17/1330479817.db2.gz XBVSLBKQEBWUPW-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccn2)ccc2c[nH+]cn21 ZINC001316832773 1331361330 /nfs/dbraw/zinc/36/13/30/1331361330.db2.gz OZOUTKLILZZNCX-UHFFFAOYSA-N 2 0 337.427 2.290 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001316833115 1331363687 /nfs/dbraw/zinc/36/36/87/1331363687.db2.gz CCXNMINSSPIUJK-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865304 1331773789 /nfs/dbraw/zinc/77/37/89/1331773789.db2.gz IMJTWKIWOPSUJT-ZIAGYGMSSA-N 2 0 339.430 2.416 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc2c(c1)CCC2 ZINC001316815018 1331909691 /nfs/dbraw/zinc/90/96/91/1331909691.db2.gz QYHYUGGWKQBIQX-LJQANCHMSA-N 2 0 329.488 2.208 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC1CC2(CCC2)C1 ZINC001316908257 1331974324 /nfs/dbraw/zinc/97/43/24/1331974324.db2.gz XUEBNGVBCGONDH-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1C ZINC001316990772 1332033290 /nfs/dbraw/zinc/03/32/90/1332033290.db2.gz JQDSTVVYONCDRJ-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001317145700 1332098844 /nfs/dbraw/zinc/09/88/44/1332098844.db2.gz CTSWXXBIBZPJOX-PMACEKPBSA-N 2 0 343.515 2.460 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001317326442 1332180566 /nfs/dbraw/zinc/18/05/66/1332180566.db2.gz PLFGBPAYUGOJSV-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl)[C@H]1C[NH+]2CCC1CC2 ZINC001317424782 1332228048 /nfs/dbraw/zinc/22/80/48/1332228048.db2.gz XBVCSLKQHJLVDH-VJGCYYMXSA-N 2 0 339.911 2.442 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)no1 ZINC001317435761 1332239507 /nfs/dbraw/zinc/23/95/07/1332239507.db2.gz USIXJZVGLMNYOP-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1Cl)[NH+](C)C ZINC001317598391 1332318337 /nfs/dbraw/zinc/31/83/37/1332318337.db2.gz HPBLNMNZKNBHKY-CQSZACIVSA-N 2 0 341.883 2.237 10 0 EEAERP COc1ccc(C(C)C)cc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001317660125 1332355095 /nfs/dbraw/zinc/35/50/95/1332355095.db2.gz AHLWZADXCIZOOG-UHFFFAOYSA-N 2 0 347.503 2.462 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001317661798 1332356283 /nfs/dbraw/zinc/35/62/83/1332356283.db2.gz ZKJCTCJCGSYFKR-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001318577463 1332562641 /nfs/dbraw/zinc/56/26/41/1332562641.db2.gz SFXPLFWQWCJTHW-JSGCOSHPSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319461787 1332705830 /nfs/dbraw/zinc/70/58/30/1332705830.db2.gz VNFPNHPUEGCOPW-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CCCCC1 ZINC001319654190 1332734892 /nfs/dbraw/zinc/73/48/92/1332734892.db2.gz DERHDNFXXXPFES-SJORKVTESA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001319735503 1332753529 /nfs/dbraw/zinc/75/35/29/1332753529.db2.gz GDUMWEMWGCJPEB-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP COCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319769665 1332763350 /nfs/dbraw/zinc/76/33/50/1332763350.db2.gz NDIQXLVVVUJXPD-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001319808907 1332772892 /nfs/dbraw/zinc/77/28/92/1332772892.db2.gz LVWUUPNNALGVQH-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP COCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001319870264 1332789571 /nfs/dbraw/zinc/78/95/71/1332789571.db2.gz SSKIJECQISKGPN-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]CCOc1ccccc1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320817963 1332958973 /nfs/dbraw/zinc/95/89/73/1332958973.db2.gz JJIJAAAIYFMSEF-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP CCc1cccc(C[NH2+]CCN(CC)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001320891778 1332973368 /nfs/dbraw/zinc/97/33/68/1332973368.db2.gz ROGZKHSIAPLQGN-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2)CC1 ZINC001321305845 1333069474 /nfs/dbraw/zinc/06/94/74/1333069474.db2.gz TVPQFEFKHPQGET-IHWYPQMZSA-N 2 0 333.451 2.320 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001322335940 1333249211 /nfs/dbraw/zinc/24/92/11/1333249211.db2.gz HGVQRNVGGLQBBB-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001322549352 1333281030 /nfs/dbraw/zinc/28/10/30/1333281030.db2.gz MQCQBDHBAFANSK-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001322684556 1333307091 /nfs/dbraw/zinc/30/70/91/1333307091.db2.gz ZOBULNVYPYKQKQ-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001322694046 1333308531 /nfs/dbraw/zinc/30/85/31/1333308531.db2.gz MXPOOVUAOTYUKO-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001322693132 1333308582 /nfs/dbraw/zinc/30/85/82/1333308582.db2.gz CDWKWIAQTVXQPV-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CN(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322793742 1333327548 /nfs/dbraw/zinc/32/75/48/1333327548.db2.gz WPJLTPWVSPOPLJ-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCOc1ccccc1)C1CC1 ZINC001323022003 1333370756 /nfs/dbraw/zinc/37/07/56/1333370756.db2.gz HTFUVSQYAUIQFP-MOPGFXCFSA-N 2 0 345.487 2.034 10 0 EEAERP CCOCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324646494 1333730393 /nfs/dbraw/zinc/73/03/93/1333730393.db2.gz HRUUSAIJGKOBGF-HXUWFJFHSA-N 2 0 347.503 2.021 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCCCF)C1 ZINC001324773016 1333756729 /nfs/dbraw/zinc/75/67/29/1333756729.db2.gz WSAPETWCSINTPS-WMZOPIPTSA-N 2 0 327.488 2.439 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001324975558 1333800100 /nfs/dbraw/zinc/80/01/00/1333800100.db2.gz GZAASJUKCZKSEU-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CCCCC[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001325162063 1333841267 /nfs/dbraw/zinc/84/12/67/1333841267.db2.gz RJJSMINRRMTCHV-FQEVSTJZSA-N 2 0 347.503 2.105 10 0 EEAERP CCC1([NH2+]CCOC)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001327493684 1334302066 /nfs/dbraw/zinc/30/20/66/1334302066.db2.gz TVVQGWPUAJIHSF-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001328097647 1334395363 /nfs/dbraw/zinc/39/53/63/1334395363.db2.gz HAWREYWSSDWUKD-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001328262657 1334430209 /nfs/dbraw/zinc/43/02/09/1334430209.db2.gz YPECRTYNJDONLK-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(NC(=O)C2([NH2+]C3CC3)CCC2)ccc1N1CC[NH+](C)CC1 ZINC001328455634 1334460723 /nfs/dbraw/zinc/46/07/23/1334460723.db2.gz QMHFCJNZMDMYIE-UHFFFAOYSA-N 2 0 342.487 2.360 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCCC[C@H]2C[NH2+]CCF)C1 ZINC001328644384 1334493312 /nfs/dbraw/zinc/49/33/12/1334493312.db2.gz XVUCIYAXCMSUKG-WMLDXEAASA-N 2 0 331.451 2.139 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001328939831 1334552632 /nfs/dbraw/zinc/55/26/32/1334552632.db2.gz BKIHFZYIWNTWAA-NRXISQOPSA-N 2 0 338.883 2.060 10 0 EEAERP COCCCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001329244062 1334613953 /nfs/dbraw/zinc/61/39/53/1334613953.db2.gz QRJSNTSCFPLPMX-WWDZGPRUSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001332209744 1335767991 /nfs/dbraw/zinc/76/79/91/1335767991.db2.gz ZISCIJTXSJICNF-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001332274201 1335788496 /nfs/dbraw/zinc/78/84/96/1335788496.db2.gz ZXNKJNWVOFWCOR-STQMWFEESA-N 2 0 335.414 2.298 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCCCF)C2)CC1 ZINC001332301603 1335796578 /nfs/dbraw/zinc/79/65/78/1335796578.db2.gz NINXPKUMBGCTHQ-RDJZCZTQSA-N 2 0 327.488 2.343 10 0 EEAERP C[NH2+]CCOc1ccccc1-c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001334071975 1336201577 /nfs/dbraw/zinc/20/15/77/1336201577.db2.gz QVCFYKJFWJUGND-OAHLLOKOSA-N 2 0 328.416 2.144 10 0 EEAERP COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000848562957 1338721971 /nfs/dbraw/zinc/72/19/71/1338721971.db2.gz NKYPKLTYUSWRAW-CALCHBBNSA-N 2 0 334.460 2.285 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C1CC1 ZINC001428334043 1339465034 /nfs/dbraw/zinc/46/50/34/1339465034.db2.gz NBNHBHXOFTUFMQ-KRWDZBQOSA-N 2 0 338.540 2.480 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001436330878 1342034960 /nfs/dbraw/zinc/03/49/60/1342034960.db2.gz NOOTTWJVPJUZCD-HUUCEWRRSA-N 2 0 343.462 2.296 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001436392575 1342070056 /nfs/dbraw/zinc/07/00/56/1342070056.db2.gz UBJRJCJJEQQCGK-SHTZXODSSA-N 2 0 338.521 2.086 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2c(C)nsc2C)C1 ZINC001500275249 1342128305 /nfs/dbraw/zinc/12/83/05/1342128305.db2.gz QVOGUMMIPKYLRA-QGZVFWFLSA-N 2 0 338.521 2.182 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccnc2)C1 ZINC001500392474 1342185136 /nfs/dbraw/zinc/18/51/36/1342185136.db2.gz BLAVLMBCWHBKSO-IBGZPJMESA-N 2 0 332.492 2.142 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC2CCC2)CCC1(F)F)C1CCC1 ZINC001500611303 1342186208 /nfs/dbraw/zinc/18/62/08/1342186208.db2.gz QCTFZDGODUWFAQ-OAHLLOKOSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCOCC2)c1 ZINC001502635773 1342219220 /nfs/dbraw/zinc/21/92/20/1342219220.db2.gz YDFARQAIRHJHRJ-QGZVFWFLSA-N 2 0 347.503 2.263 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnccc2C)CC1(C)C ZINC001506750701 1342314769 /nfs/dbraw/zinc/31/47/69/1342314769.db2.gz HATOGQPQEOWADZ-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001673992839 1356768489 /nfs/dbraw/zinc/76/84/89/1356768489.db2.gz AGLMCCUDDFXNTN-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001566893752 1342647670 /nfs/dbraw/zinc/64/76/70/1342647670.db2.gz NXKUBTILEGVURU-MAADDNGKSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC[C@@H]1CCOC1 ZINC001567016611 1342679588 /nfs/dbraw/zinc/67/95/88/1342679588.db2.gz JMVFXRJQMXIDSR-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001567066481 1342690039 /nfs/dbraw/zinc/69/00/39/1342690039.db2.gz XWVHBMVMQHHFTJ-INIZCTEOSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(N1CCC[C@H]1C[NH2+]CCC[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001569547046 1342894778 /nfs/dbraw/zinc/89/47/78/1342894778.db2.gz CVUGKSYJRUOIAG-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009472 1342998387 /nfs/dbraw/zinc/99/83/87/1342998387.db2.gz GVAIQHUSNWXDFK-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001570626862 1343093677 /nfs/dbraw/zinc/09/36/77/1343093677.db2.gz HUXRZGWCUPHSPD-OLZOCXBDSA-N 2 0 338.883 2.060 10 0 EEAERP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001571549119 1343234714 /nfs/dbraw/zinc/23/47/14/1343234714.db2.gz XSVFWHLSDAWJCF-RTBURBONSA-N 2 0 341.499 2.199 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001676205270 1357119597 /nfs/dbraw/zinc/11/95/97/1357119597.db2.gz SQXBAQRZWCUFPG-QWHCGFSZSA-N 2 0 334.291 2.226 10 0 EEAERP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001676221401 1357122214 /nfs/dbraw/zinc/12/22/14/1357122214.db2.gz CMIOTOPJVSYOEQ-AWEZNQCLSA-N 2 0 335.414 2.250 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCc2cccs2)C(C)(C)C)C1 ZINC001677306640 1357311008 /nfs/dbraw/zinc/31/10/08/1357311008.db2.gz MTFVDQQOALQUKG-GOEBONIOSA-N 2 0 337.533 2.363 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001649358741 1353496218 /nfs/dbraw/zinc/49/62/18/1353496218.db2.gz UQTZQCAIBYIAPV-XUVXKRRUSA-N 2 0 341.499 2.355 10 0 EEAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001649448531 1353510833 /nfs/dbraw/zinc/51/08/33/1353510833.db2.gz GBBAUEOXQYTVRY-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001660291327 1354432127 /nfs/dbraw/zinc/43/21/27/1354432127.db2.gz PQKQCLVTXYMQBL-IBGZPJMESA-N 2 0 347.503 2.154 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001660369269 1354450733 /nfs/dbraw/zinc/45/07/33/1354450733.db2.gz VEJOBKJGTNJOAP-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001660794532 1354540149 /nfs/dbraw/zinc/54/01/49/1354540149.db2.gz PITXJUAGYNZCQE-UHFFFAOYSA-N 2 0 332.492 2.236 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccn1)CC2 ZINC001661079346 1354587731 /nfs/dbraw/zinc/58/77/31/1354587731.db2.gz XREQKBOHIISEBI-GOSISDBHSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001661723390 1354681615 /nfs/dbraw/zinc/68/16/15/1354681615.db2.gz LGEHVCOZYUINFQ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001662660980 1354821801 /nfs/dbraw/zinc/82/18/01/1354821801.db2.gz UTVIDQHMGYLYHY-OAHLLOKOSA-N 2 0 327.432 2.119 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCCC(F)(F)F)C2)CC1 ZINC001662680424 1354825372 /nfs/dbraw/zinc/82/53/72/1354825372.db2.gz NZTLKKGJCAYBOX-AWEZNQCLSA-N 2 0 349.441 2.499 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001662713270 1354830384 /nfs/dbraw/zinc/83/03/84/1354830384.db2.gz YZYMSWRSGOOJHE-OCCSQVGLSA-N 2 0 336.307 2.330 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCOC(C)C)C1 ZINC001662728654 1354833336 /nfs/dbraw/zinc/83/33/36/1354833336.db2.gz RKCAOLMDXFXICO-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001662839856 1354861729 /nfs/dbraw/zinc/86/17/29/1354861729.db2.gz XJJOIWCTQNIHSW-MSOLQXFVSA-N 2 0 339.499 2.391 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCF ZINC001663085457 1354909792 /nfs/dbraw/zinc/90/97/92/1354909792.db2.gz HFEURMKBQGYHRL-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001663940670 1355057616 /nfs/dbraw/zinc/05/76/16/1355057616.db2.gz FNEIMHPMCAYYOD-LSDHHAIUSA-N 2 0 338.883 2.013 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001664093287 1355090660 /nfs/dbraw/zinc/09/06/60/1355090660.db2.gz KTHZNHJTNBZNSR-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001665808503 1355392516 /nfs/dbraw/zinc/39/25/16/1355392516.db2.gz DLKXQCUEPWEZRP-HUUCEWRRSA-N 2 0 338.883 2.204 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)c2cccc3nccn32)CCCC1 ZINC001665933912 1355412223 /nfs/dbraw/zinc/41/22/23/1355412223.db2.gz RLXDVGKWPFVDJG-UHFFFAOYSA-N 2 0 330.432 2.003 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001666291235 1355503953 /nfs/dbraw/zinc/50/39/53/1355503953.db2.gz ULDGRCKWLPAJIX-TVFCKZIOSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667032887 1355635461 /nfs/dbraw/zinc/63/54/61/1355635461.db2.gz GASGSMDOFZIADJ-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CCCCC1 ZINC001667151972 1355658790 /nfs/dbraw/zinc/65/87/90/1355658790.db2.gz YAMWXEOGXCMUOF-FUHWJXTLSA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCOC(C)C)C1 ZINC001667693659 1355789380 /nfs/dbraw/zinc/78/93/80/1355789380.db2.gz JODCBUQSHIOHII-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001667743275 1355804122 /nfs/dbraw/zinc/80/41/22/1355804122.db2.gz DXDSYDBUSIXWEL-RTBURBONSA-N 2 0 343.515 2.445 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccns2)C1 ZINC001668178494 1355892019 /nfs/dbraw/zinc/89/20/19/1355892019.db2.gz GCFRWVHYIDIXQL-HUUCEWRRSA-N 2 0 338.521 2.250 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668310720 1355921459 /nfs/dbraw/zinc/92/14/59/1355921459.db2.gz YNYBSGXIJMUPEA-WMZOPIPTSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)oc1C ZINC001668319121 1355922865 /nfs/dbraw/zinc/92/28/65/1355922865.db2.gz DLAYAPYOISXZBX-CQSZACIVSA-N 2 0 336.480 2.152 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C)nc1C ZINC001669206768 1356125296 /nfs/dbraw/zinc/12/52/96/1356125296.db2.gz HIYJZNFCLDAPIL-LIXSYLKWSA-N 2 0 344.503 2.335 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001672229667 1356485171 /nfs/dbraw/zinc/48/51/71/1356485171.db2.gz YXZWDVFOBUZODF-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001674958680 1356917326 /nfs/dbraw/zinc/91/73/26/1356917326.db2.gz PVCGGKYUVKSKTD-HNNXBMFYSA-N 2 0 327.432 2.284 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)[NH+](C)C ZINC001699367042 1405341036 /nfs/dbraw/zinc/34/10/36/1405341036.db2.gz XBKQXTSIFQLXMW-KFWWJZLASA-N 2 0 333.467 2.492 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001698716666 1405020329 /nfs/dbraw/zinc/02/03/29/1405020329.db2.gz QMMSNPWMJUYHSG-HOTGVXAUSA-N 2 0 335.467 2.482 10 0 EEAERP COCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012420 1405226670 /nfs/dbraw/zinc/22/66/70/1405226670.db2.gz DOTIHHLOIMWLAG-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001699111248 1405267119 /nfs/dbraw/zinc/26/71/19/1405267119.db2.gz ZAONKGDUVMAXJV-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001699292754 1405323880 /nfs/dbraw/zinc/32/38/80/1405323880.db2.gz WCMIHKDKCMCGLT-CHYADLBTSA-N 2 0 337.508 2.082 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC001699539977 1405378446 /nfs/dbraw/zinc/37/84/46/1405378446.db2.gz ZVFCFMULEKWCQS-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001699843812 1405522807 /nfs/dbraw/zinc/52/28/07/1405522807.db2.gz FOFMRQGQCRCLNQ-MSOLQXFVSA-N 2 0 327.488 2.437 10 0 EEAERP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000843358853 783997812 /nfs/dbraw/zinc/99/78/12/783997812.db2.gz WEZSJTRIFLDGLL-OAHLLOKOSA-N 2 0 327.266 2.431 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817894984 785051974 /nfs/dbraw/zinc/05/19/74/785051974.db2.gz PVWZHTDBHGTQBR-WBAXXEDZSA-N 2 0 331.460 2.045 10 0 EEAERP OC1(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000818955409 785341717 /nfs/dbraw/zinc/34/17/17/785341717.db2.gz UXTZPAWQRKZHAH-UHFFFAOYSA-N 2 0 345.531 2.479 10 0 EEAERP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000912809439 788376957 /nfs/dbraw/zinc/37/69/57/788376957.db2.gz GZSPLPPWFCKRDG-AEFFLSMTSA-N 2 0 332.492 2.487 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915854 788473495 /nfs/dbraw/zinc/47/34/95/788473495.db2.gz KMPBABDFAZUKQU-MOPGFXCFSA-N 2 0 327.472 2.348 10 0 EEAERP CC[NH+]1CCC(N(C)C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000844168553 788882633 /nfs/dbraw/zinc/88/26/33/788882633.db2.gz IGKJATWUGRNHJO-HNNXBMFYSA-N 2 0 338.883 2.376 10 0 EEAERP O=C1O[C@@H](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000844323830 789024078 /nfs/dbraw/zinc/02/40/78/789024078.db2.gz CGRZWKQQFOYKIX-SCTDSRPQSA-N 2 0 341.455 2.033 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000923170661 789048494 /nfs/dbraw/zinc/04/84/94/789048494.db2.gz LFKGFJOTTZZFTB-IAGOWNOFSA-N 2 0 347.507 2.246 10 0 EEAERP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1OC ZINC000923301800 789336924 /nfs/dbraw/zinc/33/69/24/789336924.db2.gz XUMJZVGVEOIZBT-JKSUJKDBSA-N 2 0 332.444 2.219 10 0 EEAERP COc1cc2c(cc1OC)C(C)(C)[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425434 789528047 /nfs/dbraw/zinc/52/80/47/789528047.db2.gz FULXKVPQUOHXHP-OAHLLOKOSA-N 2 0 346.471 2.176 10 0 EEAERP COC(=O)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)[C@H]([C@H]2CCCO2)C1 ZINC000923556817 789775184 /nfs/dbraw/zinc/77/51/84/789775184.db2.gz XZXHGWLXGKXLRK-FGTMMUONSA-N 2 0 338.492 2.199 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921687125 794994003 /nfs/dbraw/zinc/99/40/03/794994003.db2.gz XNZMGHNPRQXHOK-UHFFFAOYSA-N 2 0 330.520 2.324 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001566123030 1125570086 /nfs/dbraw/zinc/57/00/86/1125570086.db2.gz BCPMSEXNJQDCMJ-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1cnc(C)s1 ZINC001566520145 1125691953 /nfs/dbraw/zinc/69/19/53/1125691953.db2.gz RTJOTKVEAJWLPE-INIZCTEOSA-N 2 0 338.521 2.264 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001436447084 1087869297 /nfs/dbraw/zinc/86/92/97/1087869297.db2.gz SMVGAAVJHFANPC-OKZBNKHCSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001436662424 1088089761 /nfs/dbraw/zinc/08/97/61/1088089761.db2.gz DAQRBHZVZRGOIT-IEBWSBKVSA-N 2 0 340.471 2.485 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C2CC2)c(C)n1 ZINC001436794841 1088360320 /nfs/dbraw/zinc/36/03/20/1088360320.db2.gz XSCYPZYDSKLLRH-IBGZPJMESA-N 2 0 344.503 2.167 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001436953672 1088639089 /nfs/dbraw/zinc/63/90/89/1088639089.db2.gz KOEIEQDLHVCBRO-VBQJREDUSA-N 2 0 339.430 2.288 10 0 EEAERP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1)OC ZINC001436972555 1088665031 /nfs/dbraw/zinc/66/50/31/1088665031.db2.gz SDTQDIJJEAPQTO-FGTMMUONSA-N 2 0 333.476 2.024 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001437160195 1089168719 /nfs/dbraw/zinc/16/87/19/1089168719.db2.gz BMCANKLZRUFZSV-CYBMUJFWSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001437240640 1089348979 /nfs/dbraw/zinc/34/89/79/1089348979.db2.gz TZRYRYNGPZOHED-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001437281612 1089433953 /nfs/dbraw/zinc/43/39/53/1089433953.db2.gz GMSCWVAGJCRERP-SFHVURJKSA-N 2 0 325.456 2.482 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321029 1089482833 /nfs/dbraw/zinc/48/28/33/1089482833.db2.gz IKFGEAXCQRARIX-DLBZAZTESA-N 2 0 348.491 2.376 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1C ZINC001437325917 1089495400 /nfs/dbraw/zinc/49/54/00/1089495400.db2.gz LWIVNEZCJCVCSD-KRWDZBQOSA-N 2 0 347.503 2.282 10 0 EEAERP C[N@H+](C/C=C\Cl)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001437973768 1090565223 /nfs/dbraw/zinc/56/52/23/1090565223.db2.gz GYSRSCZWDVAVDW-LWAXHKBTSA-N 2 0 339.911 2.395 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437980192 1090572393 /nfs/dbraw/zinc/57/23/93/1090572393.db2.gz UDJHNWCJJBLJCO-UONOGXRCSA-N 2 0 335.414 2.203 10 0 EEAERP CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001438005553 1090604900 /nfs/dbraw/zinc/60/49/00/1090604900.db2.gz XLETVIZIWZNGKD-KRWDZBQOSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nsc2ccccc12 ZINC001438285926 1090769012 /nfs/dbraw/zinc/76/90/12/1090769012.db2.gz OKKVOPHBEZMJKQ-CJNGLKHVSA-N 2 0 346.500 2.375 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)sc1C ZINC001438380391 1090863358 /nfs/dbraw/zinc/86/33/58/1090863358.db2.gz UNPVJQVTGRDFTH-CABCVRRESA-N 2 0 338.521 2.086 10 0 EEAERP Cc1conc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001438415536 1090908807 /nfs/dbraw/zinc/90/88/07/1090908807.db2.gz QVHUURZWNWXMNQ-IEBWSBKVSA-N 2 0 348.491 2.230 10 0 EEAERP Cc1ncc(C[N@H+]2CCC3(C2)CCN(C(=O)CCC[NH+](C)C)CC3)o1 ZINC001438464730 1090971806 /nfs/dbraw/zinc/97/18/06/1090971806.db2.gz OWHBNDMXPFWMSA-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CC2(CCC2)C1 ZINC001438489327 1090989558 /nfs/dbraw/zinc/98/95/58/1090989558.db2.gz KAEHYPMKUWLTNK-QAPCUYQASA-N 2 0 333.520 2.250 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(F)c1F ZINC001438550390 1091042507 /nfs/dbraw/zinc/04/25/07/1091042507.db2.gz XZZNRPPJNRVMSQ-KGLIPLIRSA-N 2 0 339.430 2.149 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001445600134 1091393654 /nfs/dbraw/zinc/39/36/54/1091393654.db2.gz RDFWTDQBLGFFIK-JYJNAYRXSA-N 2 0 335.467 2.459 10 0 EEAERP CN(CC[N@H+](C)CCCc1cccc(F)c1)C(=O)C[NH+]1CCCC1 ZINC001438937966 1091620412 /nfs/dbraw/zinc/62/04/12/1091620412.db2.gz LKRIRLONWIYGRH-UHFFFAOYSA-N 2 0 335.467 2.244 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1coc(C2CC2)n1 ZINC001438963020 1091656126 /nfs/dbraw/zinc/65/61/26/1091656126.db2.gz NPGQUZBQRXUHIN-RDJZCZTQSA-N 2 0 348.491 2.267 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001438962455 1091656289 /nfs/dbraw/zinc/65/62/89/1091656289.db2.gz MUSXXLVFGPBNIM-AAEUAGOBSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439154012 1091795952 /nfs/dbraw/zinc/79/59/52/1091795952.db2.gz MWTVNRZCTBQGBI-ZIAGYGMSSA-N 2 0 333.467 2.494 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001439157267 1091798908 /nfs/dbraw/zinc/79/89/08/1091798908.db2.gz AYUGVOADLWDKOG-CJNGLKHVSA-N 2 0 336.480 2.149 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001445982840 1091947216 /nfs/dbraw/zinc/94/72/16/1091947216.db2.gz QKNDPURVLFVAIF-BEFAXECRSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001445989490 1091960647 /nfs/dbraw/zinc/96/06/47/1091960647.db2.gz QDWQFAQPCRAKLR-HZPDHXFCSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001439426273 1092192397 /nfs/dbraw/zinc/19/23/97/1092192397.db2.gz WGKCNINFAHDCCS-RBUKOAKNSA-N 2 0 346.519 2.495 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCc3ccccc32)CC1 ZINC001439545072 1092413474 /nfs/dbraw/zinc/41/34/74/1092413474.db2.gz JPKVMZDCVBZPFN-FUHWJXTLSA-N 2 0 327.472 2.206 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC001446274495 1092424883 /nfs/dbraw/zinc/42/48/83/1092424883.db2.gz JMBQICSYEPYRQX-HNNXBMFYSA-N 2 0 335.879 2.339 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001439848899 1092861016 /nfs/dbraw/zinc/86/10/16/1092861016.db2.gz HUGPCXOCYXZACO-GOSISDBHSA-N 2 0 333.520 2.489 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439865712 1092897753 /nfs/dbraw/zinc/89/77/53/1092897753.db2.gz KNGIPTKMHZVHID-APWZRJJASA-N 2 0 333.520 2.489 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001439919538 1092996457 /nfs/dbraw/zinc/99/64/57/1092996457.db2.gz DECWFNYKYRAXQH-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC3CC3)CCC2(F)F)CC1 ZINC001439967433 1093080207 /nfs/dbraw/zinc/08/02/07/1093080207.db2.gz GSLNZRVWNSNTLZ-INIZCTEOSA-N 2 0 343.462 2.202 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC001439975111 1093091384 /nfs/dbraw/zinc/09/13/84/1093091384.db2.gz QOJAIYLPUWCDOO-GJZGRUSLSA-N 2 0 349.441 2.150 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2nocc2C)C1 ZINC001440129848 1093194453 /nfs/dbraw/zinc/19/44/53/1093194453.db2.gz WKZYNQKFVCUOHG-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)cc1 ZINC001440224878 1093304946 /nfs/dbraw/zinc/30/49/46/1093304946.db2.gz RGFAFTWSBPVTRB-WMZOPIPTSA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001440309927 1093438757 /nfs/dbraw/zinc/43/87/57/1093438757.db2.gz YCFFDKOTDTXUEE-KFWWJZLASA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448602525 1093666818 /nfs/dbraw/zinc/66/68/18/1093666818.db2.gz IPFAKFFCCSWOQU-VQIMIIECSA-N 2 0 344.503 2.058 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001448613787 1093681246 /nfs/dbraw/zinc/68/12/46/1093681246.db2.gz DKSMSDOMQSSSKY-ZBFHGGJFSA-N 2 0 343.462 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC001440590653 1093855780 /nfs/dbraw/zinc/85/57/80/1093855780.db2.gz CYBBMAJNCQDWGQ-GUYCJALGSA-N 2 0 339.430 2.242 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001440845396 1094103361 /nfs/dbraw/zinc/10/33/61/1094103361.db2.gz YDMHZRSGTKVFKT-QWHCGFSZSA-N 2 0 338.496 2.252 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001440923016 1094176792 /nfs/dbraw/zinc/17/67/92/1094176792.db2.gz HWFLGLHRYUVVGS-MAUKXSAKSA-N 2 0 347.478 2.412 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCc2cccs2)CC[N@@H+]1C ZINC001440923592 1094177106 /nfs/dbraw/zinc/17/71/06/1094177106.db2.gz BVXOFTMJVTVCPE-BHYGNILZSA-N 2 0 337.533 2.457 10 0 EEAERP CCc1nocc1C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001449329437 1094281810 /nfs/dbraw/zinc/28/18/10/1094281810.db2.gz UUAYOKODKRECPU-MRXNPFEDSA-N 2 0 338.496 2.198 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)c1 ZINC001441190794 1094549547 /nfs/dbraw/zinc/54/95/47/1094549547.db2.gz HLLXNDLOWXRNCM-UXHICEINSA-N 2 0 341.499 2.321 10 0 EEAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCc2cccs2)C1 ZINC001441213275 1094577436 /nfs/dbraw/zinc/57/74/36/1094577436.db2.gz STDMDVCLKGHJCO-CABCVRRESA-N 2 0 335.517 2.069 10 0 EEAERP CCc1ccc(C[NH2+][C@@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001441272513 1094685731 /nfs/dbraw/zinc/68/57/31/1094685731.db2.gz VHSDDMODABXBLQ-IBGZPJMESA-N 2 0 341.499 2.329 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCF)C[C@H]2C1 ZINC001441340240 1094830798 /nfs/dbraw/zinc/83/07/98/1094830798.db2.gz MPLBTBPBSHQEEQ-KZNAEPCWSA-N 2 0 339.499 2.439 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001441410021 1094988160 /nfs/dbraw/zinc/98/81/60/1094988160.db2.gz IIDVIHVZEDRGDY-HZPDHXFCSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001441507583 1095196317 /nfs/dbraw/zinc/19/63/17/1095196317.db2.gz IKDUGUMSIUVAIB-YJBOKZPZSA-N 2 0 332.492 2.236 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001441531310 1095241146 /nfs/dbraw/zinc/24/11/46/1095241146.db2.gz QPMLEORPOUGJQM-UKRRQHHQSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001441599145 1095444767 /nfs/dbraw/zinc/44/47/67/1095444767.db2.gz WGIGADANBIZZPL-CYBMUJFWSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccccc1OC1CC1 ZINC001441843966 1095921552 /nfs/dbraw/zinc/92/15/52/1095921552.db2.gz PRRMXIKXIZMCNW-OAHLLOKOSA-N 2 0 345.487 2.306 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](C[C@H]1CCCOC1)CC2)C1CCC1 ZINC001441850278 1095936139 /nfs/dbraw/zinc/93/61/39/1095936139.db2.gz BASVWQCKPPFJKL-POAQFYNOSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001441860168 1095960854 /nfs/dbraw/zinc/96/08/54/1095960854.db2.gz IGDWUBJPTCRUBT-PKOBYXMFSA-N 2 0 346.475 2.081 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1oc(C)nc1C)CC2 ZINC001441868228 1095979451 /nfs/dbraw/zinc/97/94/51/1095979451.db2.gz OQDJARPQLVUDSZ-IEBWSBKVSA-N 2 0 348.491 2.246 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccnc1C)CC2)[NH+](C)C ZINC001441875125 1095992827 /nfs/dbraw/zinc/99/28/27/1095992827.db2.gz TZARGFNPIHKLBQ-QWFCFKBJSA-N 2 0 344.503 2.343 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001441890091 1096025999 /nfs/dbraw/zinc/02/59/99/1096025999.db2.gz ZQNKNHALAKGDAB-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001442044312 1096254087 /nfs/dbraw/zinc/25/40/87/1096254087.db2.gz GLPWDZIPVGXNPY-OLZOCXBDSA-N 2 0 325.403 2.216 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CC(C)(C)CO1)C(=O)C[NH+](C)C(C)C ZINC001442123495 1096360861 /nfs/dbraw/zinc/36/08/61/1096360861.db2.gz BKQKTQLGOHKQRQ-KRWDZBQOSA-N 2 0 341.540 2.311 10 0 EEAERP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001443853603 1098374273 /nfs/dbraw/zinc/37/42/73/1098374273.db2.gz JGGANJYAPJYOJF-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001443897300 1098423502 /nfs/dbraw/zinc/42/35/02/1098423502.db2.gz KTDVOFXSOKKQKR-WBMJQRKESA-N 2 0 325.403 2.043 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CCCC1(F)F ZINC001444032010 1098551105 /nfs/dbraw/zinc/55/11/05/1098551105.db2.gz JGLRZZHKRAVYAS-HUUCEWRRSA-N 2 0 343.462 2.392 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC001479486225 1098560904 /nfs/dbraw/zinc/56/09/04/1098560904.db2.gz DFOKOXHEZRUWEC-DLBZAZTESA-N 2 0 332.492 2.106 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001479488346 1098562037 /nfs/dbraw/zinc/56/20/37/1098562037.db2.gz ALGMGKKQGNBXML-LZWOXQAQSA-N 2 0 338.521 2.104 10 0 EEAERP CC[C@H](C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001479741891 1098863847 /nfs/dbraw/zinc/86/38/47/1098863847.db2.gz MJVUZYKZECQVDS-ZDUSSCGKSA-N 2 0 338.521 2.115 10 0 EEAERP C[N@H+](CCCF)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001479772531 1098945370 /nfs/dbraw/zinc/94/53/70/1098945370.db2.gz REEUGGBGRKNZFU-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC[C@H]1CC1(Cl)Cl ZINC001479812199 1099073046 /nfs/dbraw/zinc/07/30/46/1099073046.db2.gz IBJNJWNHSJPXIL-ZDUSSCGKSA-N 2 0 336.307 2.104 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cn(C(C)C)nc1C ZINC001479838547 1099123368 /nfs/dbraw/zinc/12/33/68/1099123368.db2.gz CIZUXULIXYTOOH-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001479895831 1099275458 /nfs/dbraw/zinc/27/54/58/1099275458.db2.gz BDPMMIWAWZNQIV-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001480022165 1099502093 /nfs/dbraw/zinc/50/20/93/1099502093.db2.gz VLTFSOXKMRTWON-MZMPZRCHSA-N 2 0 333.451 2.150 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001444710302 1099571655 /nfs/dbraw/zinc/57/16/55/1099571655.db2.gz QPAPEYWOMJACKD-ZDUSSCGKSA-N 2 0 327.419 2.243 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CCc2cccs2)C2CC2)C1 ZINC001480060749 1099586509 /nfs/dbraw/zinc/58/65/09/1099586509.db2.gz VNSLPNIQEZQJLX-YOEHRIQHSA-N 2 0 335.517 2.117 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480227065 1099848206 /nfs/dbraw/zinc/84/82/06/1099848206.db2.gz YAQNCEBQBQWQIS-KURKYZTESA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001480239911 1099873447 /nfs/dbraw/zinc/87/34/47/1099873447.db2.gz POVXUDRFKSNNCL-MJBXVCDLSA-N 2 0 335.414 2.296 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001480486213 1100295931 /nfs/dbraw/zinc/29/59/31/1100295931.db2.gz IUVHDJFZDXUAIM-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)C[NH+]1CCCC1 ZINC001445330356 1100565961 /nfs/dbraw/zinc/56/59/61/1100565961.db2.gz MCRQYABZTCKPRS-GOSISDBHSA-N 2 0 333.451 2.347 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001495106908 1100755742 /nfs/dbraw/zinc/75/57/42/1100755742.db2.gz GHJUEQJLRDBFRT-CHWSQXEVSA-N 2 0 336.307 2.151 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccc2nsnc21 ZINC001495132929 1100798566 /nfs/dbraw/zinc/79/85/66/1100798566.db2.gz AVVYUMMMIRYQOC-CQSZACIVSA-N 2 0 349.504 2.016 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCF)C1CCCCC1)C12CC[NH+](CC1)C2 ZINC001496326724 1100922640 /nfs/dbraw/zinc/92/26/40/1100922640.db2.gz OQDNDACFKIPKQK-INIZCTEOSA-N 2 0 325.472 2.097 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001496349535 1100943859 /nfs/dbraw/zinc/94/38/59/1100943859.db2.gz CWUPNGLHDPLGEF-FUHWJXTLSA-N 2 0 349.519 2.011 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001446504376 1100953670 /nfs/dbraw/zinc/95/36/70/1100953670.db2.gz XJIUDSYRKUDHLK-VQIMIIECSA-N 2 0 344.503 2.188 10 0 EEAERP Cc1cccc(OCC[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001446556937 1101034742 /nfs/dbraw/zinc/03/47/42/1101034742.db2.gz HQVFBLUWJAMFOM-HXUWFJFHSA-N 2 0 345.487 2.050 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cnccc2C)C1)[NH+](C)C ZINC001495359769 1101074936 /nfs/dbraw/zinc/07/49/36/1101074936.db2.gz NGCANDVFYXPOKQ-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001496483931 1101075411 /nfs/dbraw/zinc/07/54/11/1101075411.db2.gz VSJFISYEPNITLO-KDOFPFPSSA-N 2 0 348.491 2.220 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001495385828 1101105732 /nfs/dbraw/zinc/10/57/32/1101105732.db2.gz IAGAEDTWAQHMMK-ZWKOTPCHSA-N 2 0 344.503 2.142 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001495868870 1101693115 /nfs/dbraw/zinc/69/31/15/1101693115.db2.gz CGONTZZJIJCJGK-QGZVFWFLSA-N 2 0 341.540 2.218 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCOc3ccccc3)CCCC2)C1 ZINC001495963475 1101844696 /nfs/dbraw/zinc/84/46/96/1101844696.db2.gz YAWZOYJXGOUTOZ-KRWDZBQOSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1ccc(C[NH+]2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)c(C)n1 ZINC001447118309 1102020856 /nfs/dbraw/zinc/02/08/56/1102020856.db2.gz VGQYSCRUQMJXDF-UHFFFAOYSA-N 2 0 344.503 2.075 10 0 EEAERP C[C@H](CNCc1ncc(Cl)s1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496091324 1102038979 /nfs/dbraw/zinc/03/89/79/1102038979.db2.gz AWZAYSWEYZITGR-VXGBXAGGSA-N 2 0 344.912 2.217 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001447162936 1102115714 /nfs/dbraw/zinc/11/57/14/1102115714.db2.gz NHSLFGMSUMBRTO-ARFHVFGLSA-N 2 0 343.462 2.439 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001496196335 1102204009 /nfs/dbraw/zinc/20/40/09/1102204009.db2.gz PGKPPSKGPWMLBQ-HNNXBMFYSA-N 2 0 330.476 2.446 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncc(C)c1 ZINC001497329888 1102335923 /nfs/dbraw/zinc/33/59/23/1102335923.db2.gz FIKIWXSTCSUUPT-FUHWJXTLSA-N 2 0 332.492 2.249 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497404648 1102438436 /nfs/dbraw/zinc/43/84/36/1102438436.db2.gz ZEIUAYWHERNTPG-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CN(CCC[N@H+](C)C/C=C\Cl)C(=O)C12CCC[NH+](CCC1)C2 ZINC001447340665 1102480976 /nfs/dbraw/zinc/48/09/76/1102480976.db2.gz JYEXQTPUJOKGPR-UITAMQMPSA-N 2 0 327.900 2.395 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497484776 1102563445 /nfs/dbraw/zinc/56/34/45/1102563445.db2.gz WMYLAIJEIYJDNQ-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC001447534136 1102800238 /nfs/dbraw/zinc/80/02/38/1102800238.db2.gz BOZLSHZSBNVAFM-LRDDRELGSA-N 2 0 341.858 2.367 10 0 EEAERP CC1([NH2+]CC[C@H]2CCCCO2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001447565228 1102872053 /nfs/dbraw/zinc/87/20/53/1102872053.db2.gz NBVHJGHKCCDGRI-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ocnc2C)[C@H](C)C1 ZINC001447641495 1103032609 /nfs/dbraw/zinc/03/26/09/1103032609.db2.gz XVXOACKWSFHBFN-GDBMZVCRSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001494044461 1103416842 /nfs/dbraw/zinc/41/68/42/1103416842.db2.gz WFXMOXGFAHFCOU-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001447873449 1103490634 /nfs/dbraw/zinc/49/06/34/1103490634.db2.gz CHVMVNHNUQEYPZ-KBPBESRZSA-N 2 0 343.462 2.391 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001447873970 1103490714 /nfs/dbraw/zinc/49/07/14/1103490714.db2.gz UAOCRVUQXOQAEC-GJZGRUSLSA-N 2 0 333.476 2.162 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c1C ZINC001447934918 1103636683 /nfs/dbraw/zinc/63/66/83/1103636683.db2.gz KJBJHRLKCOXVHS-CVEARBPZSA-N 2 0 333.476 2.082 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494180997 1103658605 /nfs/dbraw/zinc/65/86/05/1103658605.db2.gz OZLDYAQGRFGEMC-HUUCEWRRSA-N 2 0 349.441 2.451 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)C/C=C/c1ccccc1 ZINC001448136448 1104081066 /nfs/dbraw/zinc/08/10/66/1104081066.db2.gz QOYZBDDPSGKYJY-RCMYXZNBSA-N 2 0 327.472 2.232 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ocnc1C ZINC001448287183 1104325146 /nfs/dbraw/zinc/32/51/46/1104325146.db2.gz XXIHADPAPZQIBM-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1oc(C)nc1C ZINC001494984178 1104628495 /nfs/dbraw/zinc/62/84/95/1104628495.db2.gz DRLSJUBNXLFLAH-HZPDHXFCSA-N 2 0 336.480 2.149 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001494986375 1104631016 /nfs/dbraw/zinc/63/10/16/1104631016.db2.gz SQYPYOQFFYTGJL-HUUCEWRRSA-N 2 0 331.451 2.389 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cc(C)no1 ZINC001494994160 1104637547 /nfs/dbraw/zinc/63/75/47/1104637547.db2.gz HQXRSJMEUAUWCI-YJBOKZPZSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001495068395 1104707913 /nfs/dbraw/zinc/70/79/13/1104707913.db2.gz CHJKLBOJZGWWBB-SJORKVTESA-N 2 0 332.492 2.331 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc(C)c(C)s1 ZINC001497994250 1106752992 /nfs/dbraw/zinc/75/29/92/1106752992.db2.gz YSSRITDVZVSEDS-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001480683934 1106876249 /nfs/dbraw/zinc/87/62/49/1106876249.db2.gz UXMIWIUJNXIWGD-CQSZACIVSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001480809502 1107157653 /nfs/dbraw/zinc/15/76/53/1107157653.db2.gz XWUATHUORHAKBL-CQSZACIVSA-N 2 0 339.430 2.088 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001480814099 1107165425 /nfs/dbraw/zinc/16/54/25/1107165425.db2.gz SXGYZFVIRDRSRY-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001498549099 1107701666 /nfs/dbraw/zinc/70/16/66/1107701666.db2.gz DMLYISDPGBVREQ-GOSISDBHSA-N 2 0 347.478 2.414 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001498552993 1107710927 /nfs/dbraw/zinc/71/09/27/1107710927.db2.gz UKUYAYVWMSNVKS-MRXNPFEDSA-N 2 0 336.480 2.102 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2cnoc2C)C1 ZINC001498602675 1107792600 /nfs/dbraw/zinc/79/26/00/1107792600.db2.gz UURPCDDHUHCFAL-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493498862 1108237285 /nfs/dbraw/zinc/23/72/85/1108237285.db2.gz DUQYRGKWWSRODM-MJGOQNOKSA-N 2 0 329.488 2.249 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498861356 1108237790 /nfs/dbraw/zinc/23/77/90/1108237790.db2.gz CQCIDBUVEKEBBT-BEFAXECRSA-N 2 0 345.487 2.336 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001498864938 1108244276 /nfs/dbraw/zinc/24/42/76/1108244276.db2.gz UXVUCOJNOCXGKF-WOJBJXKFSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001493794446 1108673978 /nfs/dbraw/zinc/67/39/78/1108673978.db2.gz WFRUWOJNGBHRJQ-IBGZPJMESA-N 2 0 331.504 2.385 10 0 EEAERP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1)[NH+](C)C ZINC001456435231 1109177063 /nfs/dbraw/zinc/17/70/63/1109177063.db2.gz CFVCWQXOQCOYHZ-LJQANCHMSA-N 2 0 347.503 2.078 10 0 EEAERP OCC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1CO ZINC001460964993 1110330215 /nfs/dbraw/zinc/33/02/15/1110330215.db2.gz KGDFGKBBTSGPMB-PMACEKPBSA-N 2 0 332.488 2.095 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CC3CC4(CCC4)C3)CC2)CC[N@@H+]1C ZINC001472960689 1110568687 /nfs/dbraw/zinc/56/86/87/1110568687.db2.gz UQOOEKCFRYMDMM-ZWKOTPCHSA-N 2 0 333.520 2.441 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@]12CCOC2)c1ccccc1 ZINC001473895296 1110584700 /nfs/dbraw/zinc/58/47/00/1110584700.db2.gz GFPJRVQHDVKORG-UYAOXDASSA-N 2 0 345.487 2.051 10 0 EEAERP Cc1ccccc1CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001499183755 1112166870 /nfs/dbraw/zinc/16/68/70/1112166870.db2.gz HSCZTSLDIQYEIM-GOSISDBHSA-N 2 0 329.488 2.260 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC001499448897 1112291207 /nfs/dbraw/zinc/29/12/07/1112291207.db2.gz WINRMVDXHPLDBX-CYBMUJFWSA-N 2 0 337.414 2.360 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001499539031 1112353688 /nfs/dbraw/zinc/35/36/88/1112353688.db2.gz XNKTVDJSLKXLID-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001499955547 1112554672 /nfs/dbraw/zinc/55/46/72/1112554672.db2.gz UBDWTIDOXZBOTI-OAHLLOKOSA-N 2 0 338.883 2.156 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCOC(C)C ZINC001499955321 1112554744 /nfs/dbraw/zinc/55/47/44/1112554744.db2.gz PZAYDRPCZIHTEJ-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001501150095 1113215944 /nfs/dbraw/zinc/21/59/44/1113215944.db2.gz LKHILQCBKZWPCG-WBVHZDCISA-N 2 0 335.467 2.352 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001501153039 1113217357 /nfs/dbraw/zinc/21/73/57/1113217357.db2.gz JHWDXZMDGYSSJX-MJGOQNOKSA-N 2 0 329.488 2.009 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001501625767 1113404269 /nfs/dbraw/zinc/40/42/69/1113404269.db2.gz QQZOVTSNBDUQTR-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001501631840 1113406712 /nfs/dbraw/zinc/40/67/12/1113406712.db2.gz GFZQRRJZHLTSLY-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001501697305 1113439256 /nfs/dbraw/zinc/43/92/56/1113439256.db2.gz XBQPTLPVUVQAKI-BRSBDYLESA-N 2 0 339.524 2.018 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccns2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001502008919 1113556882 /nfs/dbraw/zinc/55/68/82/1113556882.db2.gz SOXDWUDHOCPKSH-GOEBONIOSA-N 2 0 348.516 2.289 10 0 EEAERP CN(CCC[N@H+](C)Cc1cnn(C(C)(C)C)c1)C(=O)C[NH+]1CCCC1 ZINC001502397022 1113664959 /nfs/dbraw/zinc/66/49/59/1113664959.db2.gz NNTZSQUAFIASAS-UHFFFAOYSA-N 2 0 349.523 2.014 10 0 EEAERP CC[N@@H+](Cc1ccns1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001505398719 1113936216 /nfs/dbraw/zinc/93/62/16/1113936216.db2.gz STIIJHUUZGVMNX-UHFFFAOYSA-N 2 0 338.521 2.155 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1)[NH+](C)C ZINC001505503914 1114027178 /nfs/dbraw/zinc/02/71/78/1114027178.db2.gz ZTHRPVVVXUOSKS-PVARCSIZSA-N 2 0 335.467 2.396 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001505505977 1114027956 /nfs/dbraw/zinc/02/79/56/1114027956.db2.gz DDPMFTAULHKVCP-UHFFFAOYSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505710987 1114144943 /nfs/dbraw/zinc/14/49/43/1114144943.db2.gz XSXDSIQOEDFINN-CVEARBPZSA-N 2 0 347.503 2.271 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001505781256 1114188451 /nfs/dbraw/zinc/18/84/51/1114188451.db2.gz YBHZOUMXUPHNCW-UHFFFAOYSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001505791209 1114194106 /nfs/dbraw/zinc/19/41/06/1114194106.db2.gz FVLSQKPMLXUMOE-AOCRQIFASA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)c1C ZINC001506064924 1114388674 /nfs/dbraw/zinc/38/86/74/1114388674.db2.gz FTSDTJOVXVUKPD-OAHLLOKOSA-N 2 0 335.492 2.280 10 0 EEAERP CN1CCO[C@@H](C(=O)NC2(C[NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001506500623 1114653154 /nfs/dbraw/zinc/65/31/54/1114653154.db2.gz QGPJBSNYJFNXBQ-GOSISDBHSA-N 2 0 349.519 2.226 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCCC2)C1 ZINC001506518173 1114667937 /nfs/dbraw/zinc/66/79/37/1114667937.db2.gz HDDZPBDDOHGLAW-BOSPYUDASA-N 2 0 327.900 2.489 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCC(F)(F)F)C[C@H]21 ZINC001506793857 1114884115 /nfs/dbraw/zinc/88/41/15/1114884115.db2.gz OIRVGBOBZPWNLE-TUVASFSCSA-N 2 0 347.425 2.107 10 0 EEAERP Cc1cccc(CCC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001506807037 1114888940 /nfs/dbraw/zinc/88/89/40/1114888940.db2.gz UXKZUUHEZXOWQP-OWZKRDHZSA-N 2 0 343.515 2.173 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C/C=C\Cl)C[C@H]3C2)CC1 ZINC001506851665 1114915044 /nfs/dbraw/zinc/91/50/44/1114915044.db2.gz FGFHFYJKRSRFME-FFVPEEIRSA-N 2 0 339.911 2.297 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001506921035 1114974906 /nfs/dbraw/zinc/97/49/06/1114974906.db2.gz DSDCAQIBHIQENS-PXNSSMCTSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc(CO)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001506927463 1114979916 /nfs/dbraw/zinc/97/99/16/1114979916.db2.gz IITGRDXALZBAES-LPHOPBHVSA-N 2 0 347.503 2.038 10 0 EEAERP O=C(N[C@@H](CCC[NH2+]CCF)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001506979644 1115028277 /nfs/dbraw/zinc/02/82/77/1115028277.db2.gz SBXLQCMSNDRCNZ-KRWDZBQOSA-N 2 0 333.451 2.279 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnccc1C ZINC001507084105 1115099321 /nfs/dbraw/zinc/09/93/21/1115099321.db2.gz XNSNZFYASOFVSF-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1C ZINC001507319708 1115190710 /nfs/dbraw/zinc/19/07/10/1115190710.db2.gz LBTAHTDYPOWLSH-RHSMWYFYSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2sccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001507320609 1115191184 /nfs/dbraw/zinc/19/11/84/1115191184.db2.gz NNTIKUKDQWTMAJ-VXGBXAGGSA-N 2 0 329.897 2.432 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)CN1C(=O)CCCC[NH+](C)C ZINC001507329067 1115195410 /nfs/dbraw/zinc/19/54/10/1115195410.db2.gz TVKVNHDHYMETEB-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001507387018 1115244885 /nfs/dbraw/zinc/24/48/85/1115244885.db2.gz WOOOWHGKPCYUJP-IRXDYDNUSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001507387017 1115245425 /nfs/dbraw/zinc/24/54/25/1115245425.db2.gz WOOOWHGKPCYUJP-IAGOWNOFSA-N 2 0 339.524 2.255 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001507440036 1115269987 /nfs/dbraw/zinc/26/99/87/1115269987.db2.gz NGTADBSJKQDABE-HZPDHXFCSA-N 2 0 339.499 2.437 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507442450 1115271446 /nfs/dbraw/zinc/27/14/46/1115271446.db2.gz HOCKMHZGBISWLL-GOSISDBHSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCCCO1)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001507833596 1115355102 /nfs/dbraw/zinc/35/51/02/1115355102.db2.gz CHIATOXIYRUUMS-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccn2)C(C)(C)C)CC[N@@H+]1C ZINC001508003619 1115388189 /nfs/dbraw/zinc/38/81/89/1115388189.db2.gz NNWDURIBWHWDAU-XYJFISCASA-N 2 0 346.519 2.432 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001568065521 1124271093 /nfs/dbraw/zinc/27/10/93/1124271093.db2.gz AZBMUGUWZHLKHA-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCOCC1 ZINC001568207520 1124355117 /nfs/dbraw/zinc/35/51/17/1124355117.db2.gz BPCDZZBBPNKUGL-AEFFLSMTSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568407794 1124476815 /nfs/dbraw/zinc/47/68/15/1124476815.db2.gz VADJEILLUDFONG-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001568415751 1124484051 /nfs/dbraw/zinc/48/40/51/1124484051.db2.gz AYGFUULSBLTXLL-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743133 1124757254 /nfs/dbraw/zinc/75/72/54/1124757254.db2.gz CGQQMGMLSMSXAP-HKSATOIVSA-N 2 0 329.488 2.478 10 0 EEAERP CCN(CC[NH2+]Cc1ocnc1C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568800411 1124816162 /nfs/dbraw/zinc/81/61/62/1124816162.db2.gz IVEBWBZPMOALKL-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568920464 1124948640 /nfs/dbraw/zinc/94/86/40/1124948640.db2.gz VYUVUSMFCGIEKU-NHZBNJEXSA-N 2 0 333.451 2.238 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cncs1 ZINC001568927933 1124957307 /nfs/dbraw/zinc/95/73/07/1124957307.db2.gz FBLSXALHAOHGFE-YIEVGGLXSA-N 2 0 336.505 2.168 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001569081668 1125086545 /nfs/dbraw/zinc/08/65/45/1125086545.db2.gz WBOMTCPCWIJDQF-IRXDYDNUSA-N 2 0 331.504 2.228 10 0 EEAERP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001569171589 1125144069 /nfs/dbraw/zinc/14/40/69/1125144069.db2.gz ZPYSMPFOIZBRGU-SBEDSWMFSA-N 2 0 325.884 2.099 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001569246910 1125192459 /nfs/dbraw/zinc/19/24/59/1125192459.db2.gz UPYQRLSCZGELMY-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP c1ccc(CC[NH+]2CCC(N[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840271 240254851 /nfs/dbraw/zinc/25/48/51/240254851.db2.gz BFTIFLBPTJWXNX-SFTDATJTSA-N 2 0 343.515 2.050 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000422997083 240324834 /nfs/dbraw/zinc/32/48/34/240324834.db2.gz NIOXNOPWMJGYEU-NVXWUHKLSA-N 2 0 330.476 2.455 10 0 EEAERP CCC[C@]1(COC)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000447389404 242270593 /nfs/dbraw/zinc/27/05/93/242270593.db2.gz ZCMQAOJBZDPRGO-LJQANCHMSA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000079734012 217251965 /nfs/dbraw/zinc/25/19/65/217251965.db2.gz CSJKYVUUGIGNRA-FUHWJXTLSA-N 2 0 334.508 2.189 10 0 EEAERP CN1CCN(C(=O)CN(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000191238483 152245117 /nfs/dbraw/zinc/24/51/17/152245117.db2.gz HPBIJUHIPNXGRN-UHFFFAOYSA-N 2 0 343.393 2.215 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000248846812 160364276 /nfs/dbraw/zinc/36/42/76/160364276.db2.gz OIYRCLJEINVMMP-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557444 160398664 /nfs/dbraw/zinc/39/86/64/160398664.db2.gz RQWQUOPYRZQNNI-IBGZPJMESA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103298095 159275298 /nfs/dbraw/zinc/27/52/98/159275298.db2.gz HTJNRKFICABHGL-QGZVFWFLSA-N 2 0 336.524 2.378 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246015080 160260654 /nfs/dbraw/zinc/26/06/54/160260654.db2.gz JGUMWDDRHGKOBN-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC000247977696 160335128 /nfs/dbraw/zinc/33/51/28/160335128.db2.gz GRIGEPONIUYRNQ-RBUKOAKNSA-N 2 0 342.487 2.169 10 0 EEAERP Cc1ncc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000339291978 160842256 /nfs/dbraw/zinc/84/22/56/160842256.db2.gz XZLNTHIVOPDUNG-HXUWFJFHSA-N 2 0 339.487 2.253 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000343441077 161136341 /nfs/dbraw/zinc/13/63/41/161136341.db2.gz IPMKVJVCVWKCKK-KDOFPFPSSA-N 2 0 335.467 2.437 10 0 EEAERP CSC1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000359276300 164100863 /nfs/dbraw/zinc/10/08/63/164100863.db2.gz OUHHBUQEBCFQSZ-OAHLLOKOSA-N 2 0 327.538 2.195 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359361103 164119540 /nfs/dbraw/zinc/11/95/40/164119540.db2.gz ABFRFHXWIUEWIQ-GOSISDBHSA-N 2 0 342.487 2.318 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)CC[N@@H+]1C ZINC000368224707 166072379 /nfs/dbraw/zinc/07/23/79/166072379.db2.gz LPBSMMIESBMCGB-FFGOWVMKSA-N 2 0 341.499 2.450 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000284456026 269597559 /nfs/dbraw/zinc/59/75/59/269597559.db2.gz SVUPOLQJQQHLLL-NZSAHSFTSA-N 2 0 331.504 2.458 10 0 EEAERP COCC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000278688673 274390007 /nfs/dbraw/zinc/39/00/07/274390007.db2.gz KIAVHXCRWGXZCH-NCYKPQTJSA-N 2 0 343.515 2.492 10 0 EEAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)[NH+](C)C1CC1 ZINC000371075312 278204073 /nfs/dbraw/zinc/20/40/73/278204073.db2.gz PRXMSCPIJMKTSZ-JEBQAFNWSA-N 2 0 348.466 2.353 10 0 EEAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000247484828 278272059 /nfs/dbraw/zinc/27/20/59/278272059.db2.gz KKVMEDDCDBJCFJ-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297507632 294264533 /nfs/dbraw/zinc/26/45/33/294264533.db2.gz XLZBYOBVAFOWJU-MSRNWOCLSA-N 2 0 344.503 2.084 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000298005055 294394629 /nfs/dbraw/zinc/39/46/29/294394629.db2.gz QACPYEXJFQCELY-INIZCTEOSA-N 2 0 329.448 2.111 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000246468138 297257436 /nfs/dbraw/zinc/25/74/36/297257436.db2.gz VGGKQYVBMFUREN-BPQIPLTHSA-N 2 0 332.492 2.413 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccn3)cn2)CC1 ZINC000158663637 311330547 /nfs/dbraw/zinc/33/05/47/311330547.db2.gz RWPSUGIWIHNHSF-INIZCTEOSA-N 2 0 325.460 2.469 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333916701 312213762 /nfs/dbraw/zinc/21/37/62/312213762.db2.gz NKOJBBLKNYHBFZ-SJORKVTESA-N 2 0 336.524 2.472 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227734 312270568 /nfs/dbraw/zinc/27/05/68/312270568.db2.gz GTYSTMLIKDRLNZ-PXNSSMCTSA-N 2 0 331.504 2.339 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414728599 313070117 /nfs/dbraw/zinc/07/01/17/313070117.db2.gz CJHBBRDGLYQCEU-JKSUJKDBSA-N 2 0 345.491 2.091 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416900032 313354304 /nfs/dbraw/zinc/35/43/04/313354304.db2.gz HPDFUXDWGBRWBQ-LJQANCHMSA-N 2 0 342.487 2.318 10 0 EEAERP CC[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417014831 313395552 /nfs/dbraw/zinc/39/55/52/313395552.db2.gz LMIVITIZJLGISM-LZQZEXGQSA-N 2 0 344.503 2.121 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417219917 313453605 /nfs/dbraw/zinc/45/36/05/313453605.db2.gz XGGRFPUHEDJNFC-XYJFISCASA-N 2 0 332.492 2.495 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000417313312 313481392 /nfs/dbraw/zinc/48/13/92/313481392.db2.gz PBICVKVNHQJIMV-LPHOPBHVSA-N 2 0 348.491 2.448 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417743072 313582162 /nfs/dbraw/zinc/58/21/62/313582162.db2.gz BOYFMCDHMNPKLT-UHFFFAOYSA-N 2 0 332.492 2.279 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418182327 313738475 /nfs/dbraw/zinc/73/84/75/313738475.db2.gz MKSYTBQQEXUPMB-XOYOTBSWSA-N 2 0 330.476 2.071 10 0 EEAERP [NH3+]CCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000437783464 315052409 /nfs/dbraw/zinc/05/24/09/315052409.db2.gz IENMVPNSHVJGDV-UHFFFAOYSA-N 2 0 326.282 2.352 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000519601159 316796811 /nfs/dbraw/zinc/79/68/11/316796811.db2.gz NKYDVHJWCWIEPI-IIDMSEBBSA-N 2 0 330.476 2.019 10 0 EEAERP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000525991466 317102174 /nfs/dbraw/zinc/10/21/74/317102174.db2.gz OJVRCWSMDOVHCI-FRFSOERESA-N 2 0 330.476 2.381 10 0 EEAERP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000527950593 317291729 /nfs/dbraw/zinc/29/17/29/317291729.db2.gz AKRJBUYRXUJZJP-IVDHNXQLSA-N 2 0 330.472 2.312 10 0 EEAERP CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000563707619 319038693 /nfs/dbraw/zinc/03/86/93/319038693.db2.gz LBUHENWSNXPWDF-KRWDZBQOSA-N 2 0 341.411 2.263 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000564910749 319126577 /nfs/dbraw/zinc/12/65/77/319126577.db2.gz MFAHVLPLBPRDEY-OQSMONGASA-N 2 0 339.524 2.147 10 0 EEAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382998320 323526923 /nfs/dbraw/zinc/52/69/23/323526923.db2.gz ZIDMGCOQABTCGK-HZPDHXFCSA-N 2 0 343.512 2.190 10 0 EEAERP Cc1nc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)nc(N(C)C)n1 ZINC000488373372 447845725 /nfs/dbraw/zinc/84/57/25/447845725.db2.gz XFJDNSWKDOJYAT-CYBMUJFWSA-N 2 0 326.448 2.105 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000355223680 465235485 /nfs/dbraw/zinc/23/54/85/465235485.db2.gz LIUXYSCTWQZKJF-ADKAHSJRSA-N 2 0 334.508 2.273 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000355363338 465244431 /nfs/dbraw/zinc/24/44/31/465244431.db2.gz JRLCNRYSEXPIIZ-LPHOPBHVSA-N 2 0 332.492 2.290 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000129034055 462685743 /nfs/dbraw/zinc/68/57/43/462685743.db2.gz VCGIDRKYWOXAKJ-IAGOWNOFSA-N 2 0 326.529 2.384 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000065468285 462775801 /nfs/dbraw/zinc/77/58/01/462775801.db2.gz WKUHZMQZNFQZLU-ZWKOTPCHSA-N 2 0 332.492 2.381 10 0 EEAERP COc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+][C@H]2CCSC2)cc1 ZINC000095967584 463118927 /nfs/dbraw/zinc/11/89/27/463118927.db2.gz RGDBTGIOCDKHRJ-FUHWJXTLSA-N 2 0 335.517 2.079 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000071921055 463474130 /nfs/dbraw/zinc/47/41/30/463474130.db2.gz LANGEQYHGIRZFN-XJKSGUPXSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105862438 463480513 /nfs/dbraw/zinc/48/05/13/463480513.db2.gz PJJHCCPWAIOLOP-QGZVFWFLSA-N 2 0 342.487 2.397 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000105903259 463495474 /nfs/dbraw/zinc/49/54/74/463495474.db2.gz HJQWDDDLQVIKOT-MRXNPFEDSA-N 2 0 333.476 2.040 10 0 EEAERP C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125459186 463546551 /nfs/dbraw/zinc/54/65/51/463546551.db2.gz ZRSUVLGSZRTSFX-VQIMIIECSA-N 2 0 336.476 2.067 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000073331863 463604835 /nfs/dbraw/zinc/60/48/35/463604835.db2.gz PBOBGFVEBXUIKU-HNNXBMFYSA-N 2 0 330.476 2.205 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000152376575 463681806 /nfs/dbraw/zinc/68/18/06/463681806.db2.gz KKIRYRFBAXIONO-IAGOWNOFSA-N 2 0 333.480 2.178 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170828789 463716358 /nfs/dbraw/zinc/71/63/58/463716358.db2.gz ZOEQSJYGIFQMHA-SFHVURJKSA-N 2 0 332.492 2.372 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000170834944 463719213 /nfs/dbraw/zinc/71/92/13/463719213.db2.gz VQPJVABOAVDAQD-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP CN(c1ccccc1C[NH2+]C[C@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000268396496 463727989 /nfs/dbraw/zinc/72/79/89/463727989.db2.gz YZDZXVHDMWAYAD-INIZCTEOSA-N 2 0 345.409 2.230 10 0 EEAERP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268516561 463777613 /nfs/dbraw/zinc/77/76/13/463777613.db2.gz LLXKZSCININCTD-GOSISDBHSA-N 2 0 332.492 2.244 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000185239243 463783803 /nfs/dbraw/zinc/78/38/03/463783803.db2.gz GHNWDICEFXTHGC-GOSISDBHSA-N 2 0 334.508 2.445 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261709895 463835639 /nfs/dbraw/zinc/83/56/39/463835639.db2.gz IRLAFPTUSWOVAR-HXUWFJFHSA-N 3 0 330.520 2.389 10 0 EEAERP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261895570 463890735 /nfs/dbraw/zinc/89/07/35/463890735.db2.gz HANAHIQKAZMFJR-IPMKNSEASA-N 2 0 333.476 2.196 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171903900 463947141 /nfs/dbraw/zinc/94/71/41/463947141.db2.gz UNCMUBXDTAOUGL-BRWVUGGUSA-N 2 0 336.524 2.233 10 0 EEAERP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000237123910 464270265 /nfs/dbraw/zinc/27/02/65/464270265.db2.gz OJRXTYYTIOJGQE-MRXNPFEDSA-N 2 0 333.451 2.248 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174314575 464393027 /nfs/dbraw/zinc/39/30/27/464393027.db2.gz PLKAYHOOXQDIPB-XDNAFOTISA-N 2 0 334.508 2.009 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000174744830 464445294 /nfs/dbraw/zinc/44/52/94/464445294.db2.gz XMBIYSRPAGDEMV-RCCFBDPRSA-N 2 0 336.524 2.375 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000281534551 464493454 /nfs/dbraw/zinc/49/34/54/464493454.db2.gz JZYDPTGRNAFFNE-OAHLLOKOSA-N 2 0 338.496 2.392 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000281589552 464513820 /nfs/dbraw/zinc/51/38/20/464513820.db2.gz XERDCVKSRQFRLS-QWHCGFSZSA-N 2 0 333.407 2.274 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CN1CCOCC1 ZINC000265764890 464678338 /nfs/dbraw/zinc/67/83/38/464678338.db2.gz CRBIFEXIMRBDBD-KRWDZBQOSA-N 2 0 345.487 2.123 10 0 EEAERP CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248389667 464746798 /nfs/dbraw/zinc/74/67/98/464746798.db2.gz BAMILEXVVSKGQW-DOIPELPJSA-N 2 0 343.515 2.207 10 0 EEAERP C[C@@H](C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H](C)[NH3+] ZINC000249075430 464837797 /nfs/dbraw/zinc/83/77/97/464837797.db2.gz QYTKOTFYVOQRRA-AGIUHOORSA-N 2 0 325.403 2.029 10 0 EEAERP CN1C(=O)C[C@@H]([NH2+]CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000192157232 464877080 /nfs/dbraw/zinc/87/70/80/464877080.db2.gz HNZFEECSDNZEHB-NVXWUHKLSA-N 2 0 332.835 2.488 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000250625242 464930365 /nfs/dbraw/zinc/93/03/65/464930365.db2.gz QAHYQZJTMJCLFU-HUUCEWRRSA-N 2 0 336.505 2.278 10 0 EEAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000268241693 464988851 /nfs/dbraw/zinc/98/88/51/464988851.db2.gz VCXCTSAQDFCFNF-HNAYVOBHSA-N 2 0 327.472 2.495 10 0 EEAERP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384026 465695395 /nfs/dbraw/zinc/69/53/95/465695395.db2.gz CQCUBJBXBQLLMV-DLBZAZTESA-N 2 0 339.549 2.335 10 0 EEAERP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)C2)ncn1 ZINC000353425551 465872816 /nfs/dbraw/zinc/87/28/16/465872816.db2.gz YKAWVIXDXDASNW-MANSERQUSA-N 2 0 343.519 2.470 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464331 465902891 /nfs/dbraw/zinc/90/28/91/465902891.db2.gz UIJPULQTEQIMSI-NXWXRZEISA-N 2 0 344.503 2.269 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000361366785 465939393 /nfs/dbraw/zinc/93/93/93/465939393.db2.gz KWYXTBVXWPYNJT-MRXNPFEDSA-N 2 0 330.476 2.064 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000361517415 466064102 /nfs/dbraw/zinc/06/41/02/466064102.db2.gz CRWLFBFRYVMQFH-UHFFFAOYSA-N 2 0 329.448 2.279 10 0 EEAERP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367738049 466527587 /nfs/dbraw/zinc/52/75/87/466527587.db2.gz RBHDTJQJRAHMJQ-KZNAEPCWSA-N 2 0 332.444 2.201 10 0 EEAERP C[NH+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000354391809 466533211 /nfs/dbraw/zinc/53/32/11/466533211.db2.gz QIDHFPNXSYEUSR-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422880306 466687303 /nfs/dbraw/zinc/68/73/03/466687303.db2.gz WSLLAXZZUXFVGS-BSDSXHPESA-N 2 0 345.487 2.021 10 0 EEAERP CC1CC[NH+](C2CCC([NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)CC1 ZINC000422971030 466689078 /nfs/dbraw/zinc/68/90/78/466689078.db2.gz XTVNYHLINOKJAL-NTFDOXNWSA-N 2 0 335.536 2.386 10 0 EEAERP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423196138 466694727 /nfs/dbraw/zinc/69/47/27/466694727.db2.gz ZAPUOMKQBJDEBR-DSLXNQLJSA-N 2 0 333.451 2.151 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417256941 466816519 /nfs/dbraw/zinc/81/65/19/466816519.db2.gz SXMBYXWBPWUSBL-AZBHUTBXSA-N 2 0 336.524 2.277 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000417386462 466847447 /nfs/dbraw/zinc/84/74/47/466847447.db2.gz FUISZTRWYUYCJH-SFHVURJKSA-N 2 0 336.524 2.140 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000417852692 466957159 /nfs/dbraw/zinc/95/71/59/466957159.db2.gz HHWAMHZMHNFQLG-DHSIGJKJSA-N 2 0 330.476 2.173 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417874765 466965343 /nfs/dbraw/zinc/96/53/43/466965343.db2.gz NLOXQBNZSANNCE-OQIJWPOYSA-N 2 0 342.487 2.043 10 0 EEAERP CC(C)n1cncc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000424137932 466987480 /nfs/dbraw/zinc/98/74/80/466987480.db2.gz CNVHFBADQFQGKU-UHFFFAOYSA-N 2 0 343.475 2.045 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775282 467001169 /nfs/dbraw/zinc/00/11/69/467001169.db2.gz VEIWLERUJJYUHS-SWLSCSKDSA-N 2 0 329.366 2.163 10 0 EEAERP C[C@@H]1CC2(C[N@@H+]1Cc1nnc(-c3ccccc3)n1C)CC[NH2+]CC2 ZINC000424287461 467022509 /nfs/dbraw/zinc/02/25/09/467022509.db2.gz IVBZDJRFPPUWQE-OAHLLOKOSA-N 2 0 325.460 2.446 10 0 EEAERP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1ccncc1)CC[NH2+]CC2 ZINC000424372894 467035055 /nfs/dbraw/zinc/03/50/55/467035055.db2.gz GBUFCEPXLJOLIS-HNNXBMFYSA-N 2 0 325.460 2.446 10 0 EEAERP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000377128025 467036010 /nfs/dbraw/zinc/03/60/10/467036010.db2.gz NXKQOZKHHAGTJD-QRVBRYPASA-N 2 0 331.460 2.486 10 0 EEAERP CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418434914 467110260 /nfs/dbraw/zinc/11/02/60/467110260.db2.gz WEXOXLVTVYTHSU-CEXWTWQISA-N 2 0 344.503 2.420 10 0 EEAERP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418564550 467129223 /nfs/dbraw/zinc/12/92/23/467129223.db2.gz WYOOIAHDYATFNR-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418572808 467130489 /nfs/dbraw/zinc/13/04/89/467130489.db2.gz KRDXOFGPLOQZJW-ZHALLVOQSA-N 2 0 344.503 2.290 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@]3(C)CCCO3)cn2)CC1 ZINC000428219246 467213973 /nfs/dbraw/zinc/21/39/73/467213973.db2.gz LSOGQWSTMNKMMM-APWZRJJASA-N 2 0 332.492 2.271 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433904517 467361859 /nfs/dbraw/zinc/36/18/59/467361859.db2.gz SNDFUMBERMEFGA-SFHVURJKSA-N 2 0 336.524 2.425 10 0 EEAERP CCN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000381691923 467374533 /nfs/dbraw/zinc/37/45/33/467374533.db2.gz SJYGLXUMXIKRJQ-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000382739701 467378515 /nfs/dbraw/zinc/37/85/15/467378515.db2.gz LSDCARABSBNNBS-MOPGFXCFSA-N 2 0 329.488 2.357 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000382745627 467378666 /nfs/dbraw/zinc/37/86/66/467378666.db2.gz SPACZOUSBQRTOA-FHWLQOOXSA-N 2 0 329.488 2.342 10 0 EEAERP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000414861823 467440632 /nfs/dbraw/zinc/44/06/32/467440632.db2.gz WUYHGNSHSYPLNB-KFWWJZLASA-N 2 0 346.475 2.024 10 0 EEAERP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397512160 467442458 /nfs/dbraw/zinc/44/24/58/467442458.db2.gz NTWCZIHTWXRDJP-MRXNPFEDSA-N 2 0 342.487 2.406 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415036081 467472092 /nfs/dbraw/zinc/47/20/92/467472092.db2.gz LHBSQMUXBZRHRW-PKOBYXMFSA-N 3 0 330.520 2.436 10 0 EEAERP COCC[N@H+](C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449112864 467618917 /nfs/dbraw/zinc/61/89/17/467618917.db2.gz TZXNYJASUPBODN-SFHVURJKSA-N 2 0 333.520 2.250 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC000449155907 467621228 /nfs/dbraw/zinc/62/12/28/467621228.db2.gz CLABHWZTBILBEA-VQIMIIECSA-N 2 0 329.488 2.292 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000449744739 467705046 /nfs/dbraw/zinc/70/50/46/467705046.db2.gz JMOUQWAFWNGKTG-UHFFFAOYSA-N 2 0 347.532 2.440 10 0 EEAERP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242413 467967638 /nfs/dbraw/zinc/96/76/38/467967638.db2.gz UPKYSDPQKMWEOV-MJGOQNOKSA-N 2 0 343.471 2.030 10 0 EEAERP C[C@@H]1C[C@H](Nc2cncc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000519013750 468136030 /nfs/dbraw/zinc/13/60/30/468136030.db2.gz BRYQGRMCIUNVPA-KLHDSHLOSA-N 2 0 332.496 2.266 10 0 EEAERP O[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399458 468159315 /nfs/dbraw/zinc/15/93/15/468159315.db2.gz QBEWBXLWZCCSJD-UXHICEINSA-N 3 0 343.515 2.230 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000519699791 468196044 /nfs/dbraw/zinc/19/60/44/468196044.db2.gz MXLAIDMDLPQFNW-CHWSQXEVSA-N 2 0 335.835 2.258 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000561077949 468862184 /nfs/dbraw/zinc/86/21/84/468862184.db2.gz LXUWFYODLIGLEU-SJLPKXTDSA-N 2 0 327.472 2.099 10 0 EEAERP CCn1c2ccccc2nc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000584469988 468879328 /nfs/dbraw/zinc/87/93/28/468879328.db2.gz GCPXRHCXCMXOGH-BEFAXECRSA-N 2 0 328.460 2.384 10 0 EEAERP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC1(C[NH3+])CC1 ZINC000593317726 468937242 /nfs/dbraw/zinc/93/72/42/468937242.db2.gz VTGLLIXOGZWXML-UHFFFAOYSA-N 2 0 332.400 2.447 10 0 EEAERP [NH3+]C1(CNC(=O)Nc2nccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000623068588 469540024 /nfs/dbraw/zinc/54/00/24/469540024.db2.gz DXGZJVSMJYJXHY-UHFFFAOYSA-N 2 0 345.472 2.258 10 0 EEAERP CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612977863 469597597 /nfs/dbraw/zinc/59/75/97/469597597.db2.gz RCHWUJQEVMYBJY-ZWKOTPCHSA-N 2 0 342.487 2.044 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000629649571 469598293 /nfs/dbraw/zinc/59/82/93/469598293.db2.gz DBSSNONXLRRXTG-UHFFFAOYSA-N 2 0 343.471 2.043 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193835 469839607 /nfs/dbraw/zinc/83/96/07/469839607.db2.gz QQDYGLCFPGDYAK-FUHWJXTLSA-N 2 0 330.476 2.044 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238473 469853556 /nfs/dbraw/zinc/85/35/56/469853556.db2.gz WHMZZPJHLDBCMF-FUHWJXTLSA-N 2 0 332.492 2.290 10 0 EEAERP C/C=C/C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624197599 469872323 /nfs/dbraw/zinc/87/23/23/469872323.db2.gz RFJRKSQUXHYGHP-NFAHFFEMSA-N 2 0 339.505 2.143 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342278 469910834 /nfs/dbraw/zinc/91/08/34/469910834.db2.gz BCFAGWRGHLQABQ-DNVCBOLYSA-N 2 0 345.487 2.431 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000630714571 469964952 /nfs/dbraw/zinc/96/49/52/469964952.db2.gz OUROGCORTFSJGR-RBUKOAKNSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1ncc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000628202346 470074842 /nfs/dbraw/zinc/07/48/42/470074842.db2.gz PUMMCAVKOKCBKG-LJQANCHMSA-N 2 0 328.460 2.451 10 0 EEAERP CC(=O)N1CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c2ccccc21 ZINC000621764626 470105031 /nfs/dbraw/zinc/10/50/31/470105031.db2.gz JJNODMXLDFNART-LPHOPBHVSA-N 2 0 346.519 2.346 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)CC[N@@H+]1C ZINC000632947452 470295328 /nfs/dbraw/zinc/29/53/28/470295328.db2.gz XPVKSSPSZGKVFS-RCCFBDPRSA-N 2 0 333.476 2.144 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000632951410 470296238 /nfs/dbraw/zinc/29/62/38/470296238.db2.gz WBGUIELVVKEKHK-UHFFFAOYSA-N 2 0 334.464 2.362 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)CCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296536 470594215 /nfs/dbraw/zinc/59/42/15/470594215.db2.gz UPPJIFCIZUZAEW-MJGOQNOKSA-N 2 0 331.460 2.218 10 0 EEAERP COCCN1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647178878 470849525 /nfs/dbraw/zinc/84/95/25/470849525.db2.gz PEJJNWMSFJNNCQ-GOSISDBHSA-N 2 0 328.460 2.381 10 0 EEAERP COC[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647343934 470885747 /nfs/dbraw/zinc/88/57/47/470885747.db2.gz FZNAFNCWNVXRGR-AABGKKOBSA-N 2 0 332.488 2.363 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903840 471013225 /nfs/dbraw/zinc/01/32/25/471013225.db2.gz QUULUTHCDGVWFC-MAUKXSAKSA-N 2 0 331.460 2.488 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000651192082 471083981 /nfs/dbraw/zinc/08/39/81/471083981.db2.gz AGVBWFGPFJIYMA-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000657429526 471134935 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ZINC000659382598 471599910 /nfs/dbraw/zinc/59/99/10/471599910.db2.gz QTTRDGHRBVHPBN-WMZOPIPTSA-N 2 0 329.488 2.260 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000659443338 471631647 /nfs/dbraw/zinc/63/16/47/471631647.db2.gz ZUHOONMDYKAHRF-CGTJXYLNSA-N 2 0 332.492 2.495 10 0 EEAERP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659527281 471667824 /nfs/dbraw/zinc/66/78/24/471667824.db2.gz KLKAIHOEHUBHDJ-FUHWJXTLSA-N 2 0 344.503 2.325 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000670113613 471678903 /nfs/dbraw/zinc/67/89/03/471678903.db2.gz FVOHPWUIWJQRAH-HZPDHXFCSA-N 2 0 338.883 2.336 10 0 EEAERP C[N@@H+](CCCc1c(F)cccc1F)CCCN1CC[NH+](C)CC1 ZINC000653593781 471679189 /nfs/dbraw/zinc/67/91/89/471679189.db2.gz PAWJAIBLTXQGDO-UHFFFAOYSA-N 2 0 325.447 2.467 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659578632 471685299 /nfs/dbraw/zinc/68/52/99/471685299.db2.gz NOZJFKBSYVROIQ-QZTJIDSGSA-N 2 0 332.492 2.115 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCCc2sccc21 ZINC000664691386 471836095 /nfs/dbraw/zinc/83/60/95/471836095.db2.gz ZHAPYBBKCNHYTE-HNNXBMFYSA-N 2 0 338.521 2.308 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000656790121 471841628 /nfs/dbraw/zinc/84/16/28/471841628.db2.gz LMIOVWOZKMLCDP-DNUAJFIVSA-N 2 0 335.467 2.258 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654397081 471942009 /nfs/dbraw/zinc/94/20/09/471942009.db2.gz UWCXWHFXWSYZIF-LUKYLMHMSA-N 2 0 338.540 2.382 10 0 EEAERP C1CC2(C1)[C@H]([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[C@H]2N1CCOCC1 ZINC000665274633 471987063 /nfs/dbraw/zinc/98/70/63/471987063.db2.gz URVKHJKRYJOMMO-LTFXXXRZSA-N 2 0 333.520 2.140 10 0 EEAERP OCCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCc2ccccc21 ZINC000662256855 472044683 /nfs/dbraw/zinc/04/46/83/472044683.db2.gz LPXGCFQVGDHWAW-PKOBYXMFSA-N 2 0 330.472 2.269 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)C[NH2+]C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000662513957 472135734 /nfs/dbraw/zinc/13/57/34/472135734.db2.gz HWEZQWIUPOMEBH-MJGOQNOKSA-N 2 0 331.460 2.087 10 0 EEAERP Cn1ccnc1N1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000668793540 472270826 /nfs/dbraw/zinc/27/08/26/472270826.db2.gz FSIJOFBHMVVMNN-UHFFFAOYSA-N 2 0 330.823 2.043 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662873094 472286568 /nfs/dbraw/zinc/28/65/68/472286568.db2.gz VDAOTKNOWOBBRI-SFHVURJKSA-N 2 0 341.499 2.423 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662884705 472290488 /nfs/dbraw/zinc/29/04/88/472290488.db2.gz OSLOJHWPNFUVAJ-SFHVURJKSA-N 2 0 325.412 2.101 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000662973481 472313803 /nfs/dbraw/zinc/31/38/03/472313803.db2.gz QSPDCCCTOIVARS-ROUUACIJSA-N 2 0 333.476 2.036 10 0 EEAERP CN(C)c1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000679373972 485675271 /nfs/dbraw/zinc/67/52/71/485675271.db2.gz DFIYOMPEQRDAAM-WCRBZPEASA-N 2 0 342.531 2.495 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000685048139 486073838 /nfs/dbraw/zinc/07/38/38/486073838.db2.gz JPUBGWANAVIKCP-KRWDZBQOSA-N 2 0 336.524 2.426 10 0 EEAERP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000685717000 486175724 /nfs/dbraw/zinc/17/57/24/486175724.db2.gz MEOATXPIJQUWRZ-HOTGVXAUSA-N 2 0 333.476 2.289 10 0 EEAERP CC[S@@](=O)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000759814752 577651008 /nfs/dbraw/zinc/65/10/08/577651008.db2.gz ODEZGVYUSNRUIP-HSZRJFAPSA-N 2 0 337.533 2.075 10 0 EEAERP CC(C)[C@H]1CC[N@H+](CCS(=O)(=O)CC[NH+]2CC[C@@H](C(C)C)C2)C1 ZINC000755989047 577835789 /nfs/dbraw/zinc/83/57/89/577835789.db2.gz MQDOLMSDLPYUAG-HDICACEKSA-N 2 0 344.565 2.357 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925027041 682576390 /nfs/dbraw/zinc/57/63/90/682576390.db2.gz FDIKXGWGQOWPJS-SFHVURJKSA-N 2 0 334.460 2.402 10 0 EEAERP C[C@H]1[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000914384019 683546691 /nfs/dbraw/zinc/54/66/91/683546691.db2.gz KHYHETHRWLEFHN-QFBILLFUSA-N 2 0 344.503 2.290 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925643804 684701084 /nfs/dbraw/zinc/70/10/84/684701084.db2.gz IEKNADMGLVMFQU-RYUDHWBXSA-N 2 0 325.478 2.358 10 0 EEAERP CC(C)[C@@H]([NH3+])C(C)(C)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000904098308 694289831 /nfs/dbraw/zinc/28/98/31/694289831.db2.gz SZTSKPHUSVFZTJ-OAHLLOKOSA-N 2 0 347.463 2.333 10 0 EEAERP CCN(C(=O)[C@H]([NH2+]C(C)C)c1ccc(OC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000898588204 693380178 /nfs/dbraw/zinc/38/01/78/693380178.db2.gz WYEGFAXHFPSOCE-SJLPKXTDSA-N 2 0 333.476 2.287 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2ncccc2C)CC1(C)C ZINC001485581404 1191848086 /nfs/dbraw/zinc/84/80/86/1191848086.db2.gz CQSZJKFJPCBJFY-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001485616807 1191863503 /nfs/dbraw/zinc/86/35/03/1191863503.db2.gz WDUXMLAAZVWJOP-YHUYYLMFSA-N 2 0 327.488 2.006 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CCc2ccccc2)CC1 ZINC001485767952 1191941527 /nfs/dbraw/zinc/94/15/27/1191941527.db2.gz UTEVQEAIYGSLCX-UHFFFAOYSA-N 2 0 331.504 2.492 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001272735030 1192408826 /nfs/dbraw/zinc/40/88/26/1192408826.db2.gz RKCQNTWNBSTKEH-BRWVUGGUSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1csc(CN2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001266245669 1176015183 /nfs/dbraw/zinc/01/51/83/1176015183.db2.gz DUXJAIVAZNGNLT-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001266495371 1176638328 /nfs/dbraw/zinc/63/83/28/1176638328.db2.gz LNGBLFNHUHJAON-IEBWSBKVSA-N 2 0 349.519 2.036 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCCC(F)(F)F)C1CC1)C12CC[NH+](CC1)C2 ZINC001670544534 1176877007 /nfs/dbraw/zinc/87/70/07/1176877007.db2.gz NKHWCSLODFMLCP-AWEZNQCLSA-N 2 0 347.425 2.299 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001266769558 1177388419 /nfs/dbraw/zinc/38/84/19/1177388419.db2.gz BZMYPZVBOQDQAP-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCOC(C)C)C1 ZINC001266825551 1177498426 /nfs/dbraw/zinc/49/84/26/1177498426.db2.gz GRYIITPEQFHRDK-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCCN1CCOCC1 ZINC001691304507 1177867334 /nfs/dbraw/zinc/86/73/34/1177867334.db2.gz BUXCSUPSMYPNDY-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001691345657 1177941389 /nfs/dbraw/zinc/94/13/89/1177941389.db2.gz GZHHYDXNVGFHQU-UHFFFAOYSA-N 2 0 339.430 2.040 10 0 EEAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](C)C ZINC001267180236 1178437714 /nfs/dbraw/zinc/43/77/14/1178437714.db2.gz XQJZOFLGRGTJOD-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267191569 1178465541 /nfs/dbraw/zinc/46/55/41/1178465541.db2.gz VUJUSLHUVGBHRE-AEFFLSMTSA-N 2 0 341.540 2.214 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC001267474597 1179107175 /nfs/dbraw/zinc/10/71/75/1179107175.db2.gz VFBWDMZSOBESRZ-BETUJISGSA-N 2 0 338.521 2.181 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC(F)(F)F ZINC001267500590 1179190799 /nfs/dbraw/zinc/19/07/99/1179190799.db2.gz AGALDDKMMLJELB-HNNXBMFYSA-N 2 0 349.441 2.497 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOc1ccc(C)cc1)[NH+](C)C ZINC001481063703 1179665208 /nfs/dbraw/zinc/66/52/08/1179665208.db2.gz FENHGZICIYITAT-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001481245095 1180434175 /nfs/dbraw/zinc/43/41/75/1180434175.db2.gz CWBCWUSEACZRAT-MJGOQNOKSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc(Cl)s2)C1 ZINC001481280858 1180776406 /nfs/dbraw/zinc/77/64/06/1180776406.db2.gz YXEIHDVKWQPKTL-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H](C)O)CC1 ZINC001267931891 1180782911 /nfs/dbraw/zinc/78/29/11/1180782911.db2.gz HZSYTAJHPIDYDH-XSLAGTTESA-N 2 0 339.524 2.039 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001267958966 1180842981 /nfs/dbraw/zinc/84/29/81/1180842981.db2.gz HXYSTLKYPUXZCZ-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268001362 1180954345 /nfs/dbraw/zinc/95/43/45/1180954345.db2.gz ANXWZNHHDPWPNX-CZUORRHYSA-N 2 0 340.899 2.163 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cncs1 ZINC001481354684 1181106362 /nfs/dbraw/zinc/10/63/62/1181106362.db2.gz VUNUCRMJRWPPBJ-UHFFFAOYSA-N 2 0 338.521 2.202 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC001481363576 1181132961 /nfs/dbraw/zinc/13/29/61/1181132961.db2.gz PPTMVGQKXUGAOT-OALUTQOASA-N 2 0 338.455 2.123 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001481405506 1181229525 /nfs/dbraw/zinc/22/95/25/1181229525.db2.gz IEDGOQMSPCZAOM-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001272742046 1193096259 /nfs/dbraw/zinc/09/62/59/1193096259.db2.gz JWCPMUNMFCNUGX-QAQDUYKDSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCCCCF)C2)C1 ZINC001481498604 1181571913 /nfs/dbraw/zinc/57/19/13/1181571913.db2.gz QOQBCJNPBLOBEK-IAGOWNOFSA-N 2 0 327.488 2.248 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCOC(C)C)C1 ZINC001481530461 1181656330 /nfs/dbraw/zinc/65/63/30/1181656330.db2.gz ZPWOSTOFNKRVGY-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001268161122 1181874161 /nfs/dbraw/zinc/87/41/61/1181874161.db2.gz XTRJVYGZMDUPMH-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001268223653 1182035420 /nfs/dbraw/zinc/03/54/20/1182035420.db2.gz ALVDHBYTWUPEGS-KRWDZBQOSA-N 2 0 341.540 2.360 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC(F)(F)F)CCC1 ZINC001268280556 1182147328 /nfs/dbraw/zinc/14/73/28/1182147328.db2.gz SXIZIKWLMWAUCV-QWHCGFSZSA-N 2 0 335.414 2.298 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001268286784 1182166458 /nfs/dbraw/zinc/16/64/58/1182166458.db2.gz FBRAKCUBSUQBLE-SJORKVTESA-N 2 0 327.488 2.341 10 0 EEAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001481703446 1182246939 /nfs/dbraw/zinc/24/69/39/1182246939.db2.gz JEZLJWREHSFEGL-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cncn1CC(=O)N[C@H](C)CC[NH2+]Cc1cccc(C(C)C)n1 ZINC001268381831 1182406966 /nfs/dbraw/zinc/40/69/66/1182406966.db2.gz AUMVGJFHIFQUBS-OAHLLOKOSA-N 2 0 343.475 2.395 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001268393178 1182462118 /nfs/dbraw/zinc/46/21/18/1182462118.db2.gz IIUZCHMRJTZABH-YJBOKZPZSA-N 2 0 333.476 2.164 10 0 EEAERP C[C@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)CC[NH+](C)C ZINC001268395384 1182465584 /nfs/dbraw/zinc/46/55/84/1182465584.db2.gz CRXDBOUKXUWAEK-CYBMUJFWSA-N 2 0 334.489 2.232 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001268404807 1182514573 /nfs/dbraw/zinc/51/45/73/1182514573.db2.gz WPUOSBOMGAQEGF-IAGOWNOFSA-N 2 0 347.507 2.032 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001268416155 1182575863 /nfs/dbraw/zinc/57/58/63/1182575863.db2.gz UINHLDVCELBKMN-QGZVFWFLSA-N 2 0 329.488 2.384 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001268426054 1182593361 /nfs/dbraw/zinc/59/33/61/1182593361.db2.gz JDANDIMRVJOVOS-SJLPKXTDSA-N 2 0 332.492 2.186 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ocnc1C ZINC001481883704 1182872418 /nfs/dbraw/zinc/87/24/18/1182872418.db2.gz YCZYRHQLCPRDKP-RDJZCZTQSA-N 2 0 336.480 2.088 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001481933151 1182980756 /nfs/dbraw/zinc/98/07/56/1182980756.db2.gz XTHJPZJZLHNNHN-UYAOXDASSA-N 2 0 344.503 2.331 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001481933148 1182981419 /nfs/dbraw/zinc/98/14/19/1182981419.db2.gz XTHJPZJZLHNNHN-AZUAARDMSA-N 2 0 344.503 2.331 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001482019119 1183143210 /nfs/dbraw/zinc/14/32/10/1183143210.db2.gz YLUJAYQFFJTPGO-BRSBDYLESA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482110076 1183345369 /nfs/dbraw/zinc/34/53/69/1183345369.db2.gz MNHCIMUHPMDPDD-QAPCUYQASA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001268591209 1183392465 /nfs/dbraw/zinc/39/24/65/1183392465.db2.gz OLUMGVDHBVFTJJ-AWFCHZOYSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001482136960 1183450003 /nfs/dbraw/zinc/45/00/03/1183450003.db2.gz ALTRBBALDCNQIX-QGZVFWFLSA-N 2 0 347.503 2.058 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCc1ccsc1)C12CC[NH+](CC1)C2 ZINC001268614004 1183526630 /nfs/dbraw/zinc/52/66/30/1183526630.db2.gz RWEMGTKITVXKQB-OWOJBTEDSA-N 2 0 333.501 2.039 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)cnc2c1 ZINC001268757844 1183672361 /nfs/dbraw/zinc/67/23/61/1183672361.db2.gz FAFVGZJGWHQGLM-DLBZAZTESA-N 2 0 344.459 2.167 10 0 EEAERP CN(CCC[NH2+]Cc1csc(C2CC2)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268783399 1183700874 /nfs/dbraw/zinc/70/08/74/1183700874.db2.gz IQIYEWHNUHDWJD-OAHLLOKOSA-N 2 0 336.505 2.053 10 0 EEAERP Cc1ccc(CC[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001268836915 1183751165 /nfs/dbraw/zinc/75/11/65/1183751165.db2.gz WZKXOIPZNCAEIA-UHFFFAOYSA-N 2 0 331.504 2.317 10 0 EEAERP CN(CCC[NH2+]CCCc1cccc(F)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268945992 1183851281 /nfs/dbraw/zinc/85/12/81/1183851281.db2.gz KDIBLOXCOXVSBI-KRWDZBQOSA-N 2 0 335.467 2.148 10 0 EEAERP Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001269084483 1183947265 /nfs/dbraw/zinc/94/72/65/1183947265.db2.gz SZYKWFDBBINYIJ-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP CC(C)(C)CC[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001482206225 1183979863 /nfs/dbraw/zinc/97/98/63/1183979863.db2.gz CPALZHVMKPOUKS-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001269323994 1184169043 /nfs/dbraw/zinc/16/90/43/1184169043.db2.gz FSSDOTMOKMRNEB-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001269766305 1184604322 /nfs/dbraw/zinc/60/43/22/1184604322.db2.gz VIRLMXCYPYJDIO-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001270188837 1184907123 /nfs/dbraw/zinc/90/71/23/1184907123.db2.gz SOWVTTMCPNHBBF-WOJBJXKFSA-N 2 0 343.515 2.460 10 0 EEAERP COCCCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001270256127 1184964459 /nfs/dbraw/zinc/96/44/59/1184964459.db2.gz UYUWRQMTXCJMQM-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]C/C=C\c1ccccc1 ZINC001270516613 1185141327 /nfs/dbraw/zinc/14/13/27/1185141327.db2.gz FYTAEKNACBNWCP-RPPGEJNMSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)CCn1ccnc1 ZINC001482312362 1185291315 /nfs/dbraw/zinc/29/13/15/1185291315.db2.gz GSSDMUSYQNKSLZ-KBPBESRZSA-N 2 0 328.407 2.145 10 0 EEAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001270700211 1185325119 /nfs/dbraw/zinc/32/51/19/1185325119.db2.gz DQDBWTMJIKZDHM-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482339020 1185437282 /nfs/dbraw/zinc/43/72/82/1185437282.db2.gz MCZJAQVAMBNNTL-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1nc2ccccc2o1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364034 1185517797 /nfs/dbraw/zinc/51/77/97/1185517797.db2.gz AJOPYBZULRRCPF-GJZGRUSLSA-N 2 0 344.459 2.421 10 0 EEAERP CCCCOCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001280394289 1186174540 /nfs/dbraw/zinc/17/45/40/1186174540.db2.gz HPYRPTNJURYFMS-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCF)C2)o1 ZINC001271722326 1186394638 /nfs/dbraw/zinc/39/46/38/1186394638.db2.gz XTUFTKGZMXRKAZ-GJZGRUSLSA-N 2 0 339.455 2.389 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482699972 1187678084 /nfs/dbraw/zinc/67/80/84/1187678084.db2.gz XVAMSTZTLGSPFN-MOPGFXCFSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482870233 1187790041 /nfs/dbraw/zinc/79/00/41/1187790041.db2.gz AQDVACBLTRYQLT-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001482876036 1187795834 /nfs/dbraw/zinc/79/58/34/1187795834.db2.gz FUTHWAJKVKFMIX-GDBMZVCRSA-N 2 0 347.507 2.062 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001482890681 1187817776 /nfs/dbraw/zinc/81/77/76/1187817776.db2.gz YEUHFWUMPIZDIL-WFASDCNBSA-N 2 0 326.510 2.022 10 0 EEAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482955746 1187883291 /nfs/dbraw/zinc/88/32/91/1187883291.db2.gz SNNAVPWRYWEWAW-OAHLLOKOSA-N 2 0 336.480 2.186 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2cc(F)cc(F)c2)CCC1 ZINC001483019043 1188006848 /nfs/dbraw/zinc/00/68/48/1188006848.db2.gz UIFGPXDBVUKFBS-ARJAWSKDSA-N 2 0 337.414 2.211 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001483053245 1188297283 /nfs/dbraw/zinc/29/72/83/1188297283.db2.gz CYCGPMBJNMAKNY-KZSQQDEKSA-N 2 0 343.462 2.416 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(C)s1 ZINC001272822909 1193562139 /nfs/dbraw/zinc/56/21/39/1193562139.db2.gz ISIBHCUKVJUOGJ-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001483160663 1188974760 /nfs/dbraw/zinc/97/47/60/1188974760.db2.gz FYUBBHIFOCYHCV-VYDXJSESSA-N 2 0 333.476 2.020 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001272889015 1193592199 /nfs/dbraw/zinc/59/21/99/1193592199.db2.gz IUVIGSYXQDFVAH-INIZCTEOSA-N 2 0 344.503 2.311 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409345450 1189555749 /nfs/dbraw/zinc/55/57/49/1189555749.db2.gz AWYMXPSOCFKXJB-CABCVRRESA-N 2 0 330.476 2.001 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001485875271 1193626811 /nfs/dbraw/zinc/62/68/11/1193626811.db2.gz KKPJSZZBROXJQJ-FXAWDEMLSA-N 2 0 343.515 2.316 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001409427321 1189661622 /nfs/dbraw/zinc/66/16/22/1189661622.db2.gz XCSNCMNONVLBOU-HZPDHXFCSA-N 2 0 347.503 2.084 10 0 EEAERP C[C@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CCN1c1cc[nH+]cc1 ZINC000905523298 1189768240 /nfs/dbraw/zinc/76/82/40/1189768240.db2.gz QKZWUXQQOOVVBE-HNNXBMFYSA-N 2 0 349.548 2.054 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1C ZINC001409615325 1190101952 /nfs/dbraw/zinc/10/19/52/1190101952.db2.gz INLHXAGYBVKBEM-WBVHZDCISA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483294384 1190317508 /nfs/dbraw/zinc/31/75/08/1190317508.db2.gz YACQBYCCCRFOIH-WCQYABFASA-N 2 0 327.831 2.025 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483411080 1190457065 /nfs/dbraw/zinc/45/70/65/1190457065.db2.gz YGDLUPKUIOPDEQ-HNNXBMFYSA-N 2 0 349.906 2.415 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483448890 1190483533 /nfs/dbraw/zinc/48/35/33/1190483533.db2.gz YIVFJFPHKRSBQW-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP CCc1ccc(CC[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001483484371 1190503336 /nfs/dbraw/zinc/50/33/36/1190503336.db2.gz MUMXMQANCZWROD-LJQANCHMSA-N 2 0 331.504 2.324 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CCOc2ccccc2)CC[N@@H+]1C ZINC001483487308 1190506965 /nfs/dbraw/zinc/50/69/65/1190506965.db2.gz NWNMJQGKBMYJRC-ROUUACIJSA-N 2 0 347.503 2.234 10 0 EEAERP O=C(N[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001483600741 1190580448 /nfs/dbraw/zinc/58/04/48/1190580448.db2.gz JVUISAYFQHHYON-UKRRQHHQSA-N 2 0 341.446 2.002 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC001483604970 1190585597 /nfs/dbraw/zinc/58/55/97/1190585597.db2.gz BHFVIHCVTSILTD-AIADIJKESA-N 2 0 327.472 2.280 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cc(C)ns1 ZINC001483621643 1190605159 /nfs/dbraw/zinc/60/51/59/1190605159.db2.gz QKWCQFSCXQFINQ-GOEBONIOSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130366 1193689750 /nfs/dbraw/zinc/68/97/50/1193689750.db2.gz RBBZRZSHTHDLMW-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1C[C@@H]1CCOC1 ZINC001409832823 1190663617 /nfs/dbraw/zinc/66/36/17/1190663617.db2.gz HRCUUZQBUAYNHV-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001409863351 1190717829 /nfs/dbraw/zinc/71/78/29/1190717829.db2.gz YUUGNRIQIDUHSN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001272441453 1190821939 /nfs/dbraw/zinc/82/19/39/1190821939.db2.gz WNBUGQXBLJVXHJ-QLFBSQMISA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001272653524 1190964655 /nfs/dbraw/zinc/96/46/55/1190964655.db2.gz QQHDEKSOFZTXNE-KRWDZBQOSA-N 2 0 349.523 2.132 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001483759439 1190986871 /nfs/dbraw/zinc/98/68/71/1190986871.db2.gz GYPRAROQGWZGKO-ROUUACIJSA-N 2 0 327.472 2.397 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832551 1191069400 /nfs/dbraw/zinc/06/94/00/1191069400.db2.gz KKJDXTBGTZMQDA-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483913147 1191114243 /nfs/dbraw/zinc/11/42/43/1191114243.db2.gz FQDRIISPCHWMAO-WBVHZDCISA-N 2 0 348.491 2.328 10 0 EEAERP COCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)cc1 ZINC001483907396 1191119938 /nfs/dbraw/zinc/11/99/38/1191119938.db2.gz BATIBAMVZBRFHN-APWZRJJASA-N 2 0 347.503 2.254 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001483911204 1191121073 /nfs/dbraw/zinc/12/10/73/1191121073.db2.gz HRUXRPSRMWWDCO-HKUYNNGSSA-N 2 0 349.494 2.490 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccn2)C1 ZINC001484093400 1191207340 /nfs/dbraw/zinc/20/73/40/1191207340.db2.gz HKWHTGRUVHLLCL-QUCCMNQESA-N 2 0 344.503 2.283 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@](C)(CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001484167617 1191254744 /nfs/dbraw/zinc/25/47/44/1191254744.db2.gz SMUXCEBXEPEDRC-HXUWFJFHSA-N 2 0 347.503 2.365 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484174428 1191259754 /nfs/dbraw/zinc/25/97/54/1191259754.db2.gz PQEFHVWEHPPJNZ-RDJZCZTQSA-N 2 0 325.472 2.049 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccns2)C3)CCC1 ZINC001484315686 1191300296 /nfs/dbraw/zinc/30/02/96/1191300296.db2.gz BDRIJIWKYCSGJQ-KKUMJFAQSA-N 2 0 348.516 2.097 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC001484470523 1191374901 /nfs/dbraw/zinc/37/49/01/1191374901.db2.gz HNGSTZZGHGKONI-GVDBMIGSSA-N 2 0 327.488 2.245 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512165 1191390335 /nfs/dbraw/zinc/39/03/35/1191390335.db2.gz DDLVOBURBROBEW-SJLPKXTDSA-N 2 0 333.451 2.248 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]C[C@@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC001484528265 1191399326 /nfs/dbraw/zinc/39/93/26/1191399326.db2.gz YINQOHSSKFDBPP-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001484544703 1191407388 /nfs/dbraw/zinc/40/73/88/1191407388.db2.gz ZQXFNVDGJQQKLO-GOSISDBHSA-N 2 0 344.503 2.142 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001484551266 1191410668 /nfs/dbraw/zinc/41/06/68/1191410668.db2.gz FOHCUQIKEYJJHD-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001484574407 1191423059 /nfs/dbraw/zinc/42/30/59/1191423059.db2.gz BDBUWDROJUKBOT-RVBKYCJKSA-N 2 0 327.900 2.345 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCOC2(CN(CCCC(C)C)C2)C1 ZINC001484778112 1191516792 /nfs/dbraw/zinc/51/67/92/1191516792.db2.gz GZIKXJVOKGWVRL-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2ccccc2C)CCOCC1)[NH+](C)C ZINC001484864262 1191555160 /nfs/dbraw/zinc/55/51/60/1191555160.db2.gz CQYQIOSXPWDNFL-GOSISDBHSA-N 2 0 347.503 2.090 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccc1F ZINC001484905054 1191569797 /nfs/dbraw/zinc/56/97/97/1191569797.db2.gz MYMKKHUGSIFPHP-MAUKXSAKSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C)on1 ZINC001484981447 1191599739 /nfs/dbraw/zinc/59/97/39/1191599739.db2.gz NYNTUAVTVUDPLK-HOTGVXAUSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001484978170 1191605115 /nfs/dbraw/zinc/60/51/15/1191605115.db2.gz AFQVTHBEWXDWLU-RDJZCZTQSA-N 2 0 349.523 2.059 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001484978165 1191605340 /nfs/dbraw/zinc/60/53/40/1191605340.db2.gz AFQVTHBEWXDWLU-NVXWUHKLSA-N 2 0 349.523 2.059 10 0 EEAERP COc1ccc(C[NH2+]CC2CC(NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001485110276 1191657549 /nfs/dbraw/zinc/65/75/49/1191657549.db2.gz CBULUJILDHPRJB-UHFFFAOYSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001485208257 1191693963 /nfs/dbraw/zinc/69/39/63/1191693963.db2.gz FQERXMRXSPUXTR-LSDHHAIUSA-N 2 0 327.513 2.016 10 0 EEAERP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001485289849 1191721169 /nfs/dbraw/zinc/72/11/69/1191721169.db2.gz WZTFGUNRRRJILD-QFBILLFUSA-N 2 0 347.503 2.077 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC[C@H]1CCCO1)CC2 ZINC001486159515 1193705792 /nfs/dbraw/zinc/70/57/92/1193705792.db2.gz IRFNQFMATRAXSC-LMMKCTJWSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001486462189 1193985139 /nfs/dbraw/zinc/98/51/39/1193985139.db2.gz IOGCUFOUHZTYNW-SJJHQCBESA-N 2 0 327.488 2.436 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001486488732 1194000227 /nfs/dbraw/zinc/00/02/27/1194000227.db2.gz MJKOTDYRAKOQNB-KRWDZBQOSA-N 2 0 339.499 2.437 10 0 EEAERP C[C@@]12CN(C(=O)CCCCC[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702098996 1195726657 /nfs/dbraw/zinc/72/66/57/1195726657.db2.gz OBOKMMHILRRVHJ-AZUAARDMSA-N 2 0 329.488 2.486 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001410236482 1197624330 /nfs/dbraw/zinc/62/43/30/1197624330.db2.gz LNELOAHVHMHZBI-WDSOQIARSA-N 2 0 344.503 2.249 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001410422475 1197852738 /nfs/dbraw/zinc/85/27/38/1197852738.db2.gz ISLRLCNLGUOKII-AAEUAGOBSA-N 2 0 344.912 2.217 10 0 EEAERP COC(=O)c1ccc(OC)c2c1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000872153910 1198060575 /nfs/dbraw/zinc/06/05/75/1198060575.db2.gz JVTNTPXQQCHSCD-UHFFFAOYSA-N 2 0 332.444 2.230 10 0 EEAERP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)C1CCCC1 ZINC000872158261 1198065255 /nfs/dbraw/zinc/06/52/55/1198065255.db2.gz UMIZQLDGFURFKI-LMCOJAPRSA-N 2 0 335.536 2.469 10 0 EEAERP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872287916 1198130208 /nfs/dbraw/zinc/13/02/08/1198130208.db2.gz GGHCNULUZXKSBN-YRIDSSQKSA-N 2 0 341.499 2.313 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000865461340 1198231050 /nfs/dbraw/zinc/23/10/50/1198231050.db2.gz QBRGROBOUWPJPS-ZDUSSCGKSA-N 2 0 326.847 2.132 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410890295 1198545145 /nfs/dbraw/zinc/54/51/45/1198545145.db2.gz BLEABPMPLPRNDO-QUCCMNQESA-N 2 0 344.503 2.345 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410904763 1198562063 /nfs/dbraw/zinc/56/20/63/1198562063.db2.gz LQQLUKDTCDHQSW-AZUAARDMSA-N 2 0 344.503 2.345 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001410909216 1198574914 /nfs/dbraw/zinc/57/49/14/1198574914.db2.gz CUGWXVMXKOAWME-SQMRVXOVSA-N 2 0 337.895 2.051 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cnccc1C)CC2)[NH+](C)C ZINC001410917642 1198580606 /nfs/dbraw/zinc/58/06/06/1198580606.db2.gz WWAVTMDPPWFHFE-BJLQDIEVSA-N 2 0 344.503 2.343 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001410949261 1198616693 /nfs/dbraw/zinc/61/66/93/1198616693.db2.gz WXGAPPBRAVKNCS-SUMWQHHRSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]C/C=C/c2ccccc2)C(C)(C)C1 ZINC001410980717 1198657379 /nfs/dbraw/zinc/65/73/79/1198657379.db2.gz JXSBUQBBUVAZMB-MZEUMTGBSA-N 2 0 329.488 2.478 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C(C)(C)C1 ZINC001410986237 1198664949 /nfs/dbraw/zinc/66/49/49/1198664949.db2.gz OADOYUSVJIBTNP-GOSISDBHSA-N 2 0 342.487 2.446 10 0 EEAERP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001411239695 1198955606 /nfs/dbraw/zinc/95/56/06/1198955606.db2.gz UHZNIMRJEVXNTI-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000875563878 1199299117 /nfs/dbraw/zinc/29/91/17/1199299117.db2.gz AAYRWRJRRVFCCI-NUEKZKHPSA-N 2 0 338.521 2.190 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870020328 1200410860 /nfs/dbraw/zinc/41/08/60/1200410860.db2.gz MJQUUORGGIRMST-ZIAGYGMSSA-N 2 0 341.858 2.291 10 0 EEAERP CSc1ccccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024221 1200413008 /nfs/dbraw/zinc/41/30/08/1200413008.db2.gz LJQVBKHATDJRFP-HUUCEWRRSA-N 2 0 335.517 2.220 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000870863263 1200918579 /nfs/dbraw/zinc/91/85/79/1200918579.db2.gz WNPOIYZQGSNZJM-KGXSXCIVSA-N 2 0 327.472 2.472 10 0 EEAERP C[NH+](C)CCOc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1Cl ZINC000870890464 1200934661 /nfs/dbraw/zinc/93/46/61/1200934661.db2.gz SGVYEEQLBZBKCM-PEBVRCNWSA-N 2 0 337.851 2.346 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(Cl)n1 ZINC000868036266 1201731783 /nfs/dbraw/zinc/73/17/83/1201731783.db2.gz WHEMCOITLVNQET-CFVMTHIKSA-N 2 0 336.867 2.034 10 0 EEAERP CC[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000882393751 1201865030 /nfs/dbraw/zinc/86/50/30/1201865030.db2.gz GEQVHNLXEOTMPN-ROUUACIJSA-N 2 0 330.476 2.250 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)[NH+]1CCCCC1 ZINC001274025836 1204332055 /nfs/dbraw/zinc/33/20/55/1204332055.db2.gz NLARUEKXGWQEGQ-PLNGDYQASA-N 2 0 335.414 2.465 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCCOC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001274087899 1204365367 /nfs/dbraw/zinc/36/53/67/1204365367.db2.gz DWRJPUZCYSOTFZ-PABLAQFASA-N 2 0 349.519 2.082 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001274578313 1205086050 /nfs/dbraw/zinc/08/60/50/1205086050.db2.gz HGBVSXJZSDWGIS-CWDCEQMOSA-N 2 0 335.879 2.362 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001275284161 1205298678 /nfs/dbraw/zinc/29/86/78/1205298678.db2.gz FIEYIRCVCGPWGO-RJYAGPCLSA-N 2 0 339.499 2.483 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275480085 1205378727 /nfs/dbraw/zinc/37/87/27/1205378727.db2.gz FRGOGWTYNJQYGO-STQMWFEESA-N 2 0 338.883 2.060 10 0 EEAERP CN(CCC[NH2+]CCCC1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276075614 1205762569 /nfs/dbraw/zinc/76/25/69/1205762569.db2.gz AENITCPFAUBPDK-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC2(CC([NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)C2)CO1 ZINC000924919142 1206050786 /nfs/dbraw/zinc/05/07/86/1206050786.db2.gz FWIJZYZMIBSIER-MYWSLZCHSA-N 2 0 345.487 2.025 10 0 EEAERP C[C@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924965600 1206056025 /nfs/dbraw/zinc/05/60/25/1206056025.db2.gz YFMAXMGYWFCMAU-TXPKVOOTSA-N 2 0 346.494 2.322 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000925254762 1206087654 /nfs/dbraw/zinc/08/76/54/1206087654.db2.gz ATHNMDFNPNLFMJ-GSTYJUAJSA-N 2 0 341.499 2.150 10 0 EEAERP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925496477 1206119574 /nfs/dbraw/zinc/11/95/74/1206119574.db2.gz VBJFYRAIWVIWMO-OALUTQOASA-N 2 0 329.488 2.483 10 0 EEAERP Cc1cc(N2CCC([NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)CC2)nc(C)n1 ZINC000925543426 1206125621 /nfs/dbraw/zinc/12/56/21/1206125621.db2.gz SSIPYICKLFNMQV-NEWSRXKRSA-N 2 0 343.519 2.428 10 0 EEAERP OC1CC[NH+](Cc2ccccc2CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925543551 1206125812 /nfs/dbraw/zinc/12/58/12/1206125812.db2.gz VSWDHUDOMFYEGZ-FQEVSTJZSA-N 2 0 343.515 2.408 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)C2)c1 ZINC000925554173 1206126996 /nfs/dbraw/zinc/12/69/96/1206126996.db2.gz ZEYWQHFNQPNUHG-MDASCCDHSA-N 2 0 345.487 2.390 10 0 EEAERP CC1(C)[C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925633190 1206138297 /nfs/dbraw/zinc/13/82/97/1206138297.db2.gz BXGQOLWVTFDZSK-ZRNYENFQSA-N 2 0 343.515 2.119 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925800513 1206155032 /nfs/dbraw/zinc/15/50/32/1206155032.db2.gz SGFMLCAJTQREAK-NUUXYWTLSA-N 2 0 342.549 2.490 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000925813363 1206156866 /nfs/dbraw/zinc/15/68/66/1206156866.db2.gz UIDPTVKTSRKJGJ-OAHLLOKOSA-N 2 0 342.409 2.491 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856822 1206161804 /nfs/dbraw/zinc/16/18/04/1206161804.db2.gz XKGJNCJENLMVIA-ZBFHGGJFSA-N 2 0 330.428 2.175 10 0 EEAERP COC1(OC)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000931638467 1207430570 /nfs/dbraw/zinc/43/05/70/1207430570.db2.gz PULLLYDHRXNAJD-LJQANCHMSA-N 2 0 348.487 2.228 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CCCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001490852372 1209765523 /nfs/dbraw/zinc/76/55/23/1209765523.db2.gz YTGGQFZCRILRDQ-IBGZPJMESA-N 2 0 341.499 2.296 10 0 EEAERP C[C@@H]1OC[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000717927322 1211594010 /nfs/dbraw/zinc/59/40/10/1211594010.db2.gz QPCVUXSDYDIUGV-ZIFCJYIRSA-N 2 0 332.488 2.417 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000718019952 1211702752 /nfs/dbraw/zinc/70/27/52/1211702752.db2.gz MDSXCTWKMPNTJI-QUCCMNQESA-N 3 0 345.531 2.476 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720823576 1215915354 /nfs/dbraw/zinc/91/53/54/1215915354.db2.gz YAGIIFKQCDJRAU-PWRODBHTSA-N 2 0 345.531 2.141 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493212952 1232872181 /nfs/dbraw/zinc/87/21/81/1232872181.db2.gz QDYLHYXNSICUAJ-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000900350893 1234253362 /nfs/dbraw/zinc/25/33/62/1234253362.db2.gz RQVDEIPEQVPMEF-FQEVSTJZSA-N 2 0 345.487 2.110 10 0 EEAERP CC(C)C[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC000902790148 1238536306 /nfs/dbraw/zinc/53/63/06/1238536306.db2.gz MUDPWSSEUMSKPG-HKUYNNGSSA-N 2 0 325.541 2.301 10 0 EEAERP C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903496920 1240677292 /nfs/dbraw/zinc/67/72/92/1240677292.db2.gz KILXGGRCEZXODU-SJLPKXTDSA-N 2 0 342.491 2.427 10 0 EEAERP CC[NH+](CC)CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)C ZINC000903884476 1242314112 /nfs/dbraw/zinc/31/41/12/1242314112.db2.gz AWTKGEGFYWCAMQ-KRWDZBQOSA-N 2 0 336.528 2.002 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cnn1C ZINC000903937920 1242589989 /nfs/dbraw/zinc/58/99/89/1242589989.db2.gz VLJHSZZQRSDXEY-LPHOPBHVSA-N 2 0 334.508 2.270 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C/c1ccc(F)cc1F)C2 ZINC000903976816 1242826477 /nfs/dbraw/zinc/82/64/77/1242826477.db2.gz BUYMFHBBHBXJNT-HPCQXFPESA-N 2 0 336.382 2.190 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001490946491 1258499696 /nfs/dbraw/zinc/49/96/96/1258499696.db2.gz QEQVJXFPFDUOEB-IYARVYRRSA-N 2 0 345.462 2.091 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001491084635 1258650021 /nfs/dbraw/zinc/65/00/21/1258650021.db2.gz CBNCRKYDFOCRIJ-BDXSIMOUSA-N 2 0 337.508 2.057 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1sccc1Cl ZINC001273912367 1289797065 /nfs/dbraw/zinc/79/70/65/1289797065.db2.gz XYEYUDJYXJMOAD-YWVDXFKGSA-N 2 0 327.881 2.258 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001490197660 1291033031 /nfs/dbraw/zinc/03/30/31/1291033031.db2.gz XRKYTXKDPNQQFW-LJQANCHMSA-N 2 0 329.488 2.275 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cnccc1C ZINC001490281045 1291109940 /nfs/dbraw/zinc/10/99/40/1291109940.db2.gz DXMBGDMERXKTAN-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001490595570 1291496539 /nfs/dbraw/zinc/49/65/39/1291496539.db2.gz OEBDLSHPISRWSN-DLBZAZTESA-N 2 0 339.499 2.437 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001490595572 1291497356 /nfs/dbraw/zinc/49/73/56/1291497356.db2.gz OEBDLSHPISRWSN-IRXDYDNUSA-N 2 0 339.499 2.437 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC001490618142 1291528118 /nfs/dbraw/zinc/52/81/18/1291528118.db2.gz CXLPOSNABBQJQD-SJLPKXTDSA-N 2 0 339.524 2.209 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC ZINC000851813514 1291854228 /nfs/dbraw/zinc/85/42/28/1291854228.db2.gz UUZZKRIXQILVTF-AOIWGVFYSA-N 2 0 340.508 2.277 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852887006 1292226355 /nfs/dbraw/zinc/22/63/55/1292226355.db2.gz CFEMKOZNMYYMCD-UHFFFAOYSA-N 2 0 342.487 2.465 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3COC(C)(C)O3)C2)ccn1 ZINC000856584354 1293573056 /nfs/dbraw/zinc/57/30/56/1293573056.db2.gz IJCBNHJJSPWIPU-QZTJIDSGSA-N 2 0 349.475 2.138 10 0 EEAERP C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858102766 1294006884 /nfs/dbraw/zinc/00/68/84/1294006884.db2.gz IPYIDLDHOHXMCE-GOSISDBHSA-N 2 0 329.488 2.357 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000863642773 1296361361 /nfs/dbraw/zinc/36/13/61/1296361361.db2.gz WWENNYQQGWECJN-ZSCXUVNLSA-N 2 0 345.418 2.096 10 0 EEAERP CC[C@@H](C(=O)N1CCC([N@H+](C)CCOCC2CCC2)CC1)[NH+](C)C ZINC001277440896 1303026918 /nfs/dbraw/zinc/02/69/18/1303026918.db2.gz HIDYCTVMONKQNG-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP COCCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001277495700 1303678573 /nfs/dbraw/zinc/67/85/73/1303678573.db2.gz ISYVBKBFSLRZHQ-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001277785466 1304482709 /nfs/dbraw/zinc/48/27/09/1304482709.db2.gz JSWSYBHLTUQMQN-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001277785469 1304483046 /nfs/dbraw/zinc/48/30/46/1304483046.db2.gz JSWSYBHLTUQMQN-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)CCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001277786186 1304484824 /nfs/dbraw/zinc/48/48/24/1304484824.db2.gz UNGZSCDIEJTLMP-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCN(C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC[NH+](C)CC1 ZINC001141799315 1315317273 /nfs/dbraw/zinc/31/72/73/1315317273.db2.gz IDVKSIIDAWSYRZ-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001278704883 1317803334 /nfs/dbraw/zinc/80/33/34/1317803334.db2.gz UINBTSOIKXZKMD-KGLIPLIRSA-N 2 0 337.430 2.355 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)on1 ZINC001263957803 1322569917 /nfs/dbraw/zinc/56/99/17/1322569917.db2.gz JAPZJEFGSRUAJP-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1OCC ZINC001263970462 1322573915 /nfs/dbraw/zinc/57/39/15/1322573915.db2.gz WDIZLYCJWXJJQL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001263988175 1322578772 /nfs/dbraw/zinc/57/87/72/1322578772.db2.gz HOWUOTCAOCTUBV-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001265095364 1322917945 /nfs/dbraw/zinc/91/79/45/1322917945.db2.gz UVHQWKQXPVPMOZ-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1ncc(C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C2CC2)o1 ZINC001265161538 1322957968 /nfs/dbraw/zinc/95/79/68/1322957968.db2.gz QVBWOJWXPIXYLP-SFHVURJKSA-N 2 0 348.491 2.327 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001265461427 1323168125 /nfs/dbraw/zinc/16/81/25/1323168125.db2.gz QKUOCOPNYANPTP-HNNXBMFYSA-N 2 0 336.505 2.100 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001265494128 1323182157 /nfs/dbraw/zinc/18/21/57/1323182157.db2.gz JXLNXJIKIPYBQX-XIRDDKMYSA-N 2 0 335.517 2.259 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001265566542 1323223331 /nfs/dbraw/zinc/22/33/31/1323223331.db2.gz IWKQUKVCXIROKE-CALCHBBNSA-N 2 0 339.430 2.434 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001266068633 1323623499 /nfs/dbraw/zinc/62/34/99/1323623499.db2.gz RBFVMTPPEJIOJF-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nccnc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266074398 1323629841 /nfs/dbraw/zinc/62/98/41/1323629841.db2.gz ADRCXBHSWCFIOM-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1nocc1C)[NH+](C)C ZINC001266241472 1323829852 /nfs/dbraw/zinc/82/98/52/1323829852.db2.gz OXCDQPTWCDAGJM-DOTOQJQBSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC001279321364 1323874137 /nfs/dbraw/zinc/87/41/37/1323874137.db2.gz CTIPLBVUBRYUMN-IVMQYODDSA-N 2 0 349.519 2.034 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001280198738 1324110646 /nfs/dbraw/zinc/11/06/46/1324110646.db2.gz WLKBJFLXSWYCCP-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP COCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001280354227 1324168471 /nfs/dbraw/zinc/16/84/71/1324168471.db2.gz LGKCACUCLNTKSI-LPHOPBHVSA-N 2 0 347.503 2.474 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001282636654 1325755785 /nfs/dbraw/zinc/75/57/85/1325755785.db2.gz RIIGNZBVEHWIMW-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP CCCCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282678480 1325763696 /nfs/dbraw/zinc/76/36/96/1325763696.db2.gz UJLHDMSYYQQTJB-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001283061837 1325904593 /nfs/dbraw/zinc/90/45/93/1325904593.db2.gz HYSQNLIWSCSASS-QAETUUGQSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001283227900 1325962763 /nfs/dbraw/zinc/96/27/63/1325962763.db2.gz DUSRUHFEXHZJHX-LNLFQRSKSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001283939439 1326329174 /nfs/dbraw/zinc/32/91/74/1326329174.db2.gz MFHVDRAIGHPARV-SJLPKXTDSA-N 2 0 348.491 2.328 10 0 EEAERP COCCCCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001284071566 1326392981 /nfs/dbraw/zinc/39/29/81/1326392981.db2.gz MVWSGJZRFKXHSS-YLJYHZDGSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316639781 1327032231 /nfs/dbraw/zinc/03/22/31/1327032231.db2.gz RWTNVAOAUZXJQG-IHPCNDPISA-N 2 0 343.515 2.364 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001491636629 1330192549 /nfs/dbraw/zinc/19/25/49/1330192549.db2.gz FPCVKZOKKHNHBR-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001491603087 1330200569 /nfs/dbraw/zinc/20/05/69/1330200569.db2.gz QLYQUDNTHVKMGR-IRXDYDNUSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001491895164 1330293637 /nfs/dbraw/zinc/29/36/37/1330293637.db2.gz FBFGOILXSLWANQ-DLBZAZTESA-N 2 0 348.491 2.376 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491896140 1330294044 /nfs/dbraw/zinc/29/40/44/1330294044.db2.gz KJIRBPGVWHJFAB-RTBURBONSA-N 2 0 347.503 2.415 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001491959308 1330352560 /nfs/dbraw/zinc/35/25/60/1330352560.db2.gz KZNINKRNYYGJQJ-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001492092317 1330999332 /nfs/dbraw/zinc/99/93/32/1330999332.db2.gz NJLPZYAYQSMHRQ-PBHICJAKSA-N 2 0 336.480 2.230 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001492178943 1331057802 /nfs/dbraw/zinc/05/78/02/1331057802.db2.gz SPLJEHGVMUHEAD-SFHVURJKSA-N 2 0 330.476 2.038 10 0 EEAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCCc3cc[nH+]c(N)c3)C[N@@H+]2C1 ZINC001306093525 1331453891 /nfs/dbraw/zinc/45/38/91/1331453891.db2.gz AKBLPLPOOFKSPU-OIISXLGYSA-N 2 0 330.476 2.223 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001316800657 1331899138 /nfs/dbraw/zinc/89/91/38/1331899138.db2.gz YMOUOCNRPGQGCP-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001317222187 1332142726 /nfs/dbraw/zinc/14/27/26/1332142726.db2.gz AEXBFWGCFHFXON-UHFFFAOYSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccc(C)cc2)C1)[NH+](C)C ZINC001317340596 1332186180 /nfs/dbraw/zinc/18/61/80/1332186180.db2.gz YYNANQZYUMCTAP-OALUTQOASA-N 2 0 331.504 2.316 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001317344844 1332188052 /nfs/dbraw/zinc/18/80/52/1332188052.db2.gz VBRXOIFRABTADK-QGZVFWFLSA-N 2 0 349.906 2.416 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317363591 1332196420 /nfs/dbraw/zinc/19/64/20/1332196420.db2.gz NFZHZQRFXPEMMT-RTBURBONSA-N 2 0 347.503 2.415 10 0 EEAERP CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001317366529 1332197747 /nfs/dbraw/zinc/19/77/47/1332197747.db2.gz OHMMOYJRRDFTIF-OALUTQOASA-N 2 0 329.488 2.472 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317625574 1332334592 /nfs/dbraw/zinc/33/45/92/1332334592.db2.gz DUPOYOJPXAZKMD-MRXNPFEDSA-N 2 0 325.884 2.474 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1Cl)[NH+](C)C ZINC001317652628 1332350341 /nfs/dbraw/zinc/35/03/41/1332350341.db2.gz BXRPAUOWPVTRCK-OAHLLOKOSA-N 2 0 329.847 2.367 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001317659614 1332354395 /nfs/dbraw/zinc/35/43/95/1332354395.db2.gz XCWIGMRDXDDYBB-KRWDZBQOSA-N 2 0 331.504 2.181 10 0 EEAERP COc1ccc(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660245 1332355017 /nfs/dbraw/zinc/35/50/17/1332355017.db2.gz BCYDKLBSJLMDLV-QGZVFWFLSA-N 2 0 347.503 2.318 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001318266096 1332499043 /nfs/dbraw/zinc/49/90/43/1332499043.db2.gz MJNRAFLZKSJNJM-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cccnc1C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318932009 1332626114 /nfs/dbraw/zinc/62/61/14/1332626114.db2.gz WFPQBNMBTXZLLY-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319462457 1332705803 /nfs/dbraw/zinc/70/58/03/1332705803.db2.gz WRXHCXSCNMIMGG-ZMSDIMECSA-N 2 0 337.533 2.457 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)C[NH+]1CCCC1 ZINC001319572869 1332722857 /nfs/dbraw/zinc/72/28/57/1332722857.db2.gz FHOVECVCSISUTA-CQSZACIVSA-N 2 0 339.430 2.040 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cncs1 ZINC001319715846 1332749252 /nfs/dbraw/zinc/74/92/52/1332749252.db2.gz SCWZKDCGIAKAIQ-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065591 1333009527 /nfs/dbraw/zinc/00/95/27/1333009527.db2.gz UWZXCAKAUQUNMT-ZMXQLYDGSA-N 2 0 331.504 2.171 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089417 1333016781 /nfs/dbraw/zinc/01/67/81/1333016781.db2.gz BBTZHQRHUKZLDP-PFOQBSPMSA-N 2 0 325.472 2.404 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001321280470 1333062864 /nfs/dbraw/zinc/06/28/64/1333062864.db2.gz MRWOVPAVDVTYCP-NSCUHMNNSA-N 2 0 333.451 2.320 10 0 EEAERP C[C@H](C[NH2+]CCc1cccs1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001321652164 1333137852 /nfs/dbraw/zinc/13/78/52/1333137852.db2.gz CXHPJMGYTXTKLV-CQSZACIVSA-N 2 0 325.522 2.363 10 0 EEAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)c1ccccc1CC[NH+](C)C ZINC001321936969 1333182578 /nfs/dbraw/zinc/18/25/78/1333182578.db2.gz CGPUVIZFENXSTC-ZDUSSCGKSA-N 2 0 345.409 2.451 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001322641892 1333299700 /nfs/dbraw/zinc/29/97/00/1333299700.db2.gz UTONOCBRGFSUOZ-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001322756929 1333320989 /nfs/dbraw/zinc/32/09/89/1333320989.db2.gz PTWLXTNHVLHYQN-QGZVFWFLSA-N 2 0 347.507 2.016 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322832596 1333336353 /nfs/dbraw/zinc/33/63/53/1333336353.db2.gz WGELDGJFLHVVMN-SFHVURJKSA-N 2 0 346.519 2.403 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323090136 1333383439 /nfs/dbraw/zinc/38/34/39/1333383439.db2.gz QBSMKJJGLGFGCT-LJQANCHMSA-N 2 0 349.519 2.082 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccc(C)cc1)[NH+](C)C ZINC001324225384 1333638255 /nfs/dbraw/zinc/63/82/55/1333638255.db2.gz JZAQOOJAPQNWLO-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001324783050 1333759166 /nfs/dbraw/zinc/75/91/66/1333759166.db2.gz IVYPDCWPWVNXBB-KRWDZBQOSA-N 2 0 338.883 2.015 10 0 EEAERP C[NH+]1CCN(c2ccccc2C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC001325168209 1333842381 /nfs/dbraw/zinc/84/23/81/1333842381.db2.gz LXAFDFGTYCEHLX-UHFFFAOYSA-N 2 0 349.438 2.016 10 0 EEAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325458130 1333890445 /nfs/dbraw/zinc/89/04/45/1333890445.db2.gz USLGYFROBLGXML-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001325555511 1333910381 /nfs/dbraw/zinc/91/03/81/1333910381.db2.gz OMBYYYOJCMRERM-WJNHHXLDSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cncs1 ZINC001325582253 1333917006 /nfs/dbraw/zinc/91/70/06/1333917006.db2.gz PNYNNSUCWUIELV-GJZGRUSLSA-N 2 0 338.521 2.059 10 0 EEAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001327172965 1334240038 /nfs/dbraw/zinc/24/00/38/1334240038.db2.gz MFALXEKDUNYLEQ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]CCCCCF ZINC001327882273 1334358833 /nfs/dbraw/zinc/35/88/33/1334358833.db2.gz QFXHOMRIXPGADW-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001329922417 1334740282 /nfs/dbraw/zinc/74/02/82/1334740282.db2.gz XGKNVYDTNGLJEX-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001331290982 1334991735 /nfs/dbraw/zinc/99/17/35/1334991735.db2.gz TUEPVEWRXWKVIY-CYBMUJFWSA-N 2 0 335.414 2.250 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001332206954 1335766551 /nfs/dbraw/zinc/76/65/51/1335766551.db2.gz QICPBOIHIJCIRJ-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1c(C(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)ccc2c[nH+]cn21 ZINC001332396705 1335817189 /nfs/dbraw/zinc/81/71/89/1335817189.db2.gz FKWFPMPCPPGQBR-MRXNPFEDSA-N 2 0 332.423 2.443 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCOC2CCC2)C(C)(C)C)CC[N@@H+]1C ZINC001332805412 1335910642 /nfs/dbraw/zinc/91/06/42/1335910642.db2.gz CCQSISMLBRNTNS-DJIMGWMZSA-N 2 0 339.524 2.016 10 0 EEAERP CCc1cnc(CN2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC001333354238 1336017164 /nfs/dbraw/zinc/01/71/64/1336017164.db2.gz GPDJDXGLCSDLQE-SFHVURJKSA-N 2 0 348.491 2.072 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH+](CCCCOC)CC1 ZINC001333457755 1336051192 /nfs/dbraw/zinc/05/11/92/1336051192.db2.gz MMLMBMXLPXDJQR-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)cc2)CC1 ZINC001339053790 1336950915 /nfs/dbraw/zinc/95/09/15/1336950915.db2.gz NHHNGGNBRYYTBS-OALUTQOASA-N 2 0 342.487 2.394 10 0 EEAERP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001433863685 1341707863 /nfs/dbraw/zinc/70/78/63/1341707863.db2.gz NDYUBMGTBJAZQI-GOSISDBHSA-N 2 0 330.476 2.241 10 0 EEAERP C[NH+](C)CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001434355251 1341830890 /nfs/dbraw/zinc/83/08/90/1341830890.db2.gz LBGHMYZUQKZLJC-PKOBYXMFSA-N 2 0 344.503 2.094 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@H]2CN(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001436333367 1342037492 /nfs/dbraw/zinc/03/74/92/1342037492.db2.gz MIAAEHXUOHEMRZ-IBGZPJMESA-N 2 0 331.504 2.410 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001670312204 1356316424 /nfs/dbraw/zinc/31/64/24/1356316424.db2.gz FDCIVUAOIIPMTG-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001500352249 1342177787 /nfs/dbraw/zinc/17/77/87/1342177787.db2.gz QMTQKYSYUWEDOX-YFZPWRCSSA-N 2 0 333.879 2.247 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001566773800 1342628339 /nfs/dbraw/zinc/62/83/39/1342628339.db2.gz RFKJKOVLJCGFET-QUCCMNQESA-N 2 0 343.515 2.460 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001571007395 1343148622 /nfs/dbraw/zinc/14/86/22/1343148622.db2.gz FBGAYUJUDIKZSR-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571257936 1343170822 /nfs/dbraw/zinc/17/08/22/1343170822.db2.gz UTEZTWWZBFBTLD-JJRVBVJISA-N 2 0 348.491 2.267 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001676820043 1357212512 /nfs/dbraw/zinc/21/25/12/1357212512.db2.gz GKMQZECDKZOFKW-IEBWSBKVSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H](O)CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001677272430 1357305305 /nfs/dbraw/zinc/30/53/05/1357305305.db2.gz RBTGYXUZIICVAV-HOTGVXAUSA-N 2 0 341.540 2.142 10 0 EEAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001677562231 1357356682 /nfs/dbraw/zinc/35/66/82/1357356682.db2.gz FWEQVULKEHLUGW-LLHWWHOWSA-N 2 0 331.504 2.433 10 0 EEAERP CCOCC[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001677606857 1357370770 /nfs/dbraw/zinc/37/07/70/1357370770.db2.gz BFKKHSZRDGLCSV-QGZVFWFLSA-N 2 0 337.508 2.036 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001649443542 1353508379 /nfs/dbraw/zinc/50/83/79/1353508379.db2.gz DVFWPDXXZBTVBF-NQIIRXRSSA-N 2 0 343.515 2.364 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)C(=O)CCCC[NH+](C)C ZINC001656106330 1354202623 /nfs/dbraw/zinc/20/26/23/1354202623.db2.gz XRLLLSCVAIHPFQ-OAHLLOKOSA-N 2 0 331.451 2.296 10 0 EEAERP Cc1nocc1C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001660203270 1354416077 /nfs/dbraw/zinc/41/60/77/1354416077.db2.gz JTUDYVWMYJGNCM-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nocc1C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001660203271 1354416242 /nfs/dbraw/zinc/41/62/42/1354416242.db2.gz JTUDYVWMYJGNCM-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncsc1C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660277100 1354428817 /nfs/dbraw/zinc/42/88/17/1354428817.db2.gz BBCCJXRUXGYLIN-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccsc1 ZINC001660528569 1354481934 /nfs/dbraw/zinc/48/19/34/1354481934.db2.gz ALSYWOPZIIOAAJ-QGZVFWFLSA-N 2 0 335.517 2.418 10 0 EEAERP COc1ccc(C[N@H+](CCCNC(=O)[C@@H]2CC[NH+](C)C2)C2CC2)cc1 ZINC001660753177 1354532618 /nfs/dbraw/zinc/53/26/18/1354532618.db2.gz NJZBHJYKEALZMC-QGZVFWFLSA-N 2 0 345.487 2.118 10 0 EEAERP CC(C)COCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001662126388 1354752569 /nfs/dbraw/zinc/75/25/69/1354752569.db2.gz KWQJGSFYNGKZCE-UHFFFAOYSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2F)C1)C1CCC1 ZINC001662640755 1354818484 /nfs/dbraw/zinc/81/84/84/1354818484.db2.gz LYXANFVRLXCNNT-INIZCTEOSA-N 2 0 347.478 2.291 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662778581 1354844438 /nfs/dbraw/zinc/84/44/38/1354844438.db2.gz HUPISJIRJIXTEC-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@H]1CCOC1 ZINC001664516706 1355184222 /nfs/dbraw/zinc/18/42/22/1355184222.db2.gz KHXVVTCIKAGRSU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)C2CC[NH+](C)CC2)C(C)C)c1 ZINC001664534918 1355189200 /nfs/dbraw/zinc/18/92/00/1355189200.db2.gz SALKSYAVEDTKQG-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001665008972 1355264216 /nfs/dbraw/zinc/26/42/16/1355264216.db2.gz ORRUSASPKKFSQI-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001666167078 1355472971 /nfs/dbraw/zinc/47/29/71/1355472971.db2.gz BWMAAJWZRUNDEO-QZTJIDSGSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001666167080 1355473089 /nfs/dbraw/zinc/47/30/89/1355473089.db2.gz BWMAAJWZRUNDEO-ZWKOTPCHSA-N 2 0 344.503 2.060 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC(CC[NH2+]CCF)CC1 ZINC001666256448 1355497751 /nfs/dbraw/zinc/49/77/51/1355497751.db2.gz MOLWNAYKRIHUAF-UHFFFAOYSA-N 2 0 339.499 2.296 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001666472806 1355529796 /nfs/dbraw/zinc/52/97/96/1355529796.db2.gz YTLBUZHZHJGCOF-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001667138882 1355655255 /nfs/dbraw/zinc/65/52/55/1355655255.db2.gz CRIFYRCOWGDXCP-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001667279192 1355696651 /nfs/dbraw/zinc/69/66/51/1355696651.db2.gz NUOKBQQPRYSJMW-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001667301634 1355703194 /nfs/dbraw/zinc/70/31/94/1355703194.db2.gz HKBBMCJPKJAVBZ-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001667441329 1355742954 /nfs/dbraw/zinc/74/29/54/1355742954.db2.gz XMZQYYLZRPTGSN-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccns2)C1 ZINC001668178495 1355892372 /nfs/dbraw/zinc/89/23/72/1355892372.db2.gz GCFRWVHYIDIXQL-LSDHHAIUSA-N 2 0 338.521 2.250 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001668865213 1356027556 /nfs/dbraw/zinc/02/75/56/1356027556.db2.gz SIBMTTJPAREWCW-WAYWQWQTSA-N 2 0 345.487 2.250 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001669313052 1356143154 /nfs/dbraw/zinc/14/31/54/1356143154.db2.gz NTCPFPLMFDEGRI-CRAIPNDOSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCC[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001669337007 1356146486 /nfs/dbraw/zinc/14/64/86/1356146486.db2.gz RVHDWDJGHIYRNT-GDBMZVCRSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669559386 1356174933 /nfs/dbraw/zinc/17/49/33/1356174933.db2.gz MNYDDUOAHZBYQF-HNAYVOBHSA-N 2 0 347.478 2.194 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671554818 1356361472 /nfs/dbraw/zinc/36/14/72/1356361472.db2.gz UDRXQMLVKNPZID-CRAIPNDOSA-N 2 0 345.478 2.433 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001672356585 1356508554 /nfs/dbraw/zinc/50/85/54/1356508554.db2.gz YEBBHGORJJTHPA-VBUUOAMHSA-N 2 0 348.491 2.266 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001673305279 1356664205 /nfs/dbraw/zinc/66/42/05/1356664205.db2.gz LFSCJZQOVWTXFZ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2ccns2)CC[N@@H+]1C ZINC001675902980 1357066303 /nfs/dbraw/zinc/06/63/03/1357066303.db2.gz JANUICNALLLQAG-CWRNSKLLSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001690638896 1404931967 /nfs/dbraw/zinc/93/19/67/1404931967.db2.gz RFDJWEBOTVDIMY-KRWDZBQOSA-N 2 0 329.488 2.118 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692329842 1405003059 /nfs/dbraw/zinc/00/30/59/1405003059.db2.gz OEEXJYIRHSNRPN-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCC3=CCCCC3)CCO2)C1 ZINC001698788846 1405058662 /nfs/dbraw/zinc/05/86/62/1405058662.db2.gz FBGCUEYTZHPYIY-OALUTQOASA-N 2 0 349.519 2.036 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698861297 1405117245 /nfs/dbraw/zinc/11/72/45/1405117245.db2.gz OQODLFCITZKFLX-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]CCOC1CCC1)C12CC[NH+](CC1)C2 ZINC001698919610 1405161084 /nfs/dbraw/zinc/16/10/84/1405161084.db2.gz CSCSFVDXKHTTHG-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC=C(Cl)Cl ZINC001699258042 1405299543 /nfs/dbraw/zinc/29/95/43/1405299543.db2.gz TVOJIZBNODGHBB-OOPCZODUSA-N 2 0 334.291 2.440 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699261087 1405303341 /nfs/dbraw/zinc/30/33/41/1405303341.db2.gz JDBFIZMUBVEWRK-DHJFXDNESA-N 2 0 349.519 2.225 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000921438380 773373966 /nfs/dbraw/zinc/37/39/66/773373966.db2.gz ZMOLTCHOKFPDTC-ZWKOTPCHSA-N 2 0 347.507 2.248 10 0 EEAERP OC[C@H]1C[N@H+](Cc2ccc(Br)cc2)CC12CC[NH2+]CC2 ZINC000169782182 790574172 /nfs/dbraw/zinc/57/41/72/790574172.db2.gz NNVGFZYXDQVMQA-CQSZACIVSA-N 2 0 339.277 2.243 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000908009550 785017759 /nfs/dbraw/zinc/01/77/59/785017759.db2.gz FIXQWWIHSGNRTE-UHFFFAOYSA-N 2 0 333.476 2.230 10 0 EEAERP CC(=O)Nc1ccc2c(CN3CCC4(CC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000817880376 785041433 /nfs/dbraw/zinc/04/14/33/785041433.db2.gz QUVOOXRYAZLFFB-UHFFFAOYSA-N 2 0 341.411 2.079 10 0 EEAERP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000912391962 788156215 /nfs/dbraw/zinc/15/62/15/788156215.db2.gz OSTPMKLSVYUCKV-CABCVRRESA-N 2 0 344.459 2.130 10 0 EEAERP C[C@@H](C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[NH+](C)C ZINC000913082248 788613971 /nfs/dbraw/zinc/61/39/71/788613971.db2.gz DRSSDNAOSDVISI-VDGAXYAQSA-N 2 0 329.488 2.307 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)N1CC[NH+](C)CC1 ZINC000921520539 788800868 /nfs/dbraw/zinc/80/08/68/788800868.db2.gz IVQLLCXGCBKNAH-OAHLLOKOSA-N 2 0 339.915 2.302 10 0 EEAERP O=C1N[C@@H]2C[N@H+](C[C@@H]3CC4CCC3CC4)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923376851 789458578 /nfs/dbraw/zinc/45/85/78/789458578.db2.gz BUIYBQFFKAAVNZ-REFXUJDGSA-N 2 0 346.519 2.033 10 0 EEAERP O=C1N[C@@H]2C[N@H+](C[C@H]3CC4CCC3CC4)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923376853 789458658 /nfs/dbraw/zinc/45/86/58/789458658.db2.gz BUIYBQFFKAAVNZ-WMHMTCGNSA-N 2 0 346.519 2.033 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000923430613 789540660 /nfs/dbraw/zinc/54/06/60/789540660.db2.gz IGQAJBVNBSTZSB-KYOSRNDESA-N 2 0 327.266 2.399 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cccnc1C(F)(F)F)CC2 ZINC000923447206 789559447 /nfs/dbraw/zinc/55/94/47/789559447.db2.gz QJFTUBXAVIOMES-ZDUSSCGKSA-N 2 0 329.366 2.430 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2F)CC1 ZINC000913772319 794254591 /nfs/dbraw/zinc/25/45/91/794254591.db2.gz YKZPKPOEFHHHKD-UHFFFAOYSA-N 2 0 346.450 2.002 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713427449 794596400 /nfs/dbraw/zinc/59/64/00/794596400.db2.gz YHAQJMKVJSMHDE-NWDGLCLDSA-N 2 0 327.472 2.283 10 0 EEAERP O=C1NCCCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716672144 796406122 /nfs/dbraw/zinc/40/61/22/796406122.db2.gz ICXJRILMRJFACN-CADBVGFASA-N 2 0 327.472 2.298 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000917899137 798399567 /nfs/dbraw/zinc/39/95/67/798399567.db2.gz SJRZDTWZMSUMSV-QZTJIDSGSA-N 2 0 347.507 2.248 10 0 EEAERP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1[nH]nc3ccccc31)C2 ZINC000922386400 800944604 /nfs/dbraw/zinc/94/46/04/800944604.db2.gz HCZVMAWNVNJILH-OWYHZJEWSA-N 2 0 328.460 2.132 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001565938421 1125465493 /nfs/dbraw/zinc/46/54/93/1125465493.db2.gz IKZLWNPUQADCIC-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001566101603 1125560534 /nfs/dbraw/zinc/56/05/34/1125560534.db2.gz OFGQWHYJQPHPTN-MHORFTMASA-N 2 0 339.524 2.111 10 0 EEAERP Cc1ncc(C[N@H+](C)CCCNC(=O)CC[C@H]2CCC[NH+]2C)s1 ZINC001566463343 1125623646 /nfs/dbraw/zinc/62/36/46/1125623646.db2.gz SXYNNDPOJPPBDQ-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H]1CCc2ccccc2C1 ZINC001566516220 1125686865 /nfs/dbraw/zinc/68/68/65/1125686865.db2.gz CWDFFKHWXYSJIC-PXNSSMCTSA-N 2 0 343.515 2.181 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001436482140 1087968441 /nfs/dbraw/zinc/96/84/41/1087968441.db2.gz UUUPEFGHAGQVSM-WBVHZDCISA-N 2 0 333.520 2.488 10 0 EEAERP CCc1ccccc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436827596 1088432783 /nfs/dbraw/zinc/43/27/83/1088432783.db2.gz NXTUDMZAVXGIDN-LJQANCHMSA-N 2 0 329.488 2.329 10 0 EEAERP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001436853804 1088498194 /nfs/dbraw/zinc/49/81/94/1088498194.db2.gz KFJFJHUFUJUOES-NCOADZHNSA-N 2 0 327.488 2.388 10 0 EEAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001436895187 1088545433 /nfs/dbraw/zinc/54/54/33/1088545433.db2.gz MFBLHCSUULQNNI-QEJZJMRPSA-N 2 0 340.418 2.405 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001436901609 1088555099 /nfs/dbraw/zinc/55/50/99/1088555099.db2.gz XABIQNCSZMPYOM-IHRRRGAJSA-N 2 0 327.469 2.408 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001436904845 1088558538 /nfs/dbraw/zinc/55/85/38/1088558538.db2.gz VDZBKWRRCSRWDS-JGVJFQBISA-N 2 0 334.291 2.417 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437014231 1088795709 /nfs/dbraw/zinc/79/57/09/1088795709.db2.gz SQIICORYIKKQFY-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCCN2C(=O)CC[NH+](C)C)on1 ZINC001437060588 1088961841 /nfs/dbraw/zinc/96/18/41/1088961841.db2.gz WYUUEJLCQCVHNO-ZWKOTPCHSA-N 2 0 348.491 2.280 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]C/C(Cl)=C\Cl)CC1 ZINC001437087860 1089037001 /nfs/dbraw/zinc/03/70/01/1089037001.db2.gz HJSCAZBJIIQYFD-FMIVXFBMSA-N 2 0 334.291 2.418 10 0 EEAERP COc1cc(Cl)ccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001437126064 1089108361 /nfs/dbraw/zinc/10/83/61/1089108361.db2.gz PERILSBYVWCCKL-DOMZBBRYSA-N 2 0 339.867 2.037 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001437374555 1089616244 /nfs/dbraw/zinc/61/62/44/1089616244.db2.gz SQPXEPYFRDXSHW-GDBMZVCRSA-N 2 0 348.491 2.409 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cs1 ZINC001437400039 1089665250 /nfs/dbraw/zinc/66/52/50/1089665250.db2.gz SYJGVGVCJCZTCU-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001437407902 1089686187 /nfs/dbraw/zinc/68/61/87/1089686187.db2.gz GXXHBESXXRQEIN-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(OC)cc2)C1)[NH+](C)C ZINC001437946610 1090542347 /nfs/dbraw/zinc/54/23/47/1090542347.db2.gz KDIBSFGNKCSVKA-PKOBYXMFSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001438162487 1090676134 /nfs/dbraw/zinc/67/61/34/1090676134.db2.gz VUMNVBOCOLZFJE-OAHLLOKOSA-N 2 0 331.451 2.200 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(F)(F)CC1 ZINC001438175733 1090683581 /nfs/dbraw/zinc/68/35/81/1090683581.db2.gz XJVDABCCGSNHRI-GJZGRUSLSA-N 2 0 329.435 2.049 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1)[NH+](C)C ZINC001438209065 1090695732 /nfs/dbraw/zinc/69/57/32/1090695732.db2.gz CTSZWJVFGDQAHV-ZNMIVQPWSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nsc2ccccc12 ZINC001438285921 1090769154 /nfs/dbraw/zinc/76/91/54/1090769154.db2.gz OKKVOPHBEZMJKQ-BBRMVZONSA-N 2 0 346.500 2.375 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(OC)c1 ZINC001438341779 1090817690 /nfs/dbraw/zinc/81/76/90/1090817690.db2.gz MNEWJARPJVXQAJ-SJLPKXTDSA-N 2 0 333.476 2.164 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC(F)(F)CC1 ZINC001438378140 1090857981 /nfs/dbraw/zinc/85/79/81/1090857981.db2.gz NSNFKJINBVGNRK-OAHLLOKOSA-N 2 0 343.462 2.392 10 0 EEAERP COc1cccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c1 ZINC001438411960 1090901300 /nfs/dbraw/zinc/90/13/00/1090901300.db2.gz PFLKQPCOSMNLAH-ICSRJNTNSA-N 2 0 345.487 2.164 10 0 EEAERP Cc1oncc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001438430526 1090929966 /nfs/dbraw/zinc/92/99/66/1090929966.db2.gz AWKNURIDKOEPLJ-RDTXWAMCSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cs1 ZINC001438549041 1091040987 /nfs/dbraw/zinc/04/09/87/1091040987.db2.gz PVYJHNCDLJJQOE-KDOFPFPSSA-N 2 0 335.517 2.384 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[NH+](CCC(C)(C)C)CCO1 ZINC001438567557 1091057969 /nfs/dbraw/zinc/05/79/69/1091057969.db2.gz JXEBJTIGDJOCMV-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001438717499 1091240991 /nfs/dbraw/zinc/24/09/91/1091240991.db2.gz VXXPXRXJNSYVLC-AWEZNQCLSA-N 2 0 339.455 2.111 10 0 EEAERP C[C@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480236 1091259653 /nfs/dbraw/zinc/25/96/53/1091259653.db2.gz ISLRFIBAZOJPSH-CQSZACIVSA-N 2 0 327.428 2.123 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001438769229 1091350689 /nfs/dbraw/zinc/35/06/89/1091350689.db2.gz GCZZGOYMBKCZKQ-VQIMIIECSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)cn1 ZINC001445573673 1091353309 /nfs/dbraw/zinc/35/33/09/1091353309.db2.gz VKZKAUFKQZXOFX-HNNXBMFYSA-N 2 0 347.507 2.032 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438777935 1091372059 /nfs/dbraw/zinc/37/20/59/1091372059.db2.gz YTMRIWFEBPFDTE-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)cs1 ZINC001438847009 1091485408 /nfs/dbraw/zinc/48/54/08/1091485408.db2.gz HXOQIGAJNKYVBM-HNNXBMFYSA-N 2 0 326.510 2.022 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2coc(C)n2)C1 ZINC001438852594 1091488404 /nfs/dbraw/zinc/48/84/04/1091488404.db2.gz RDSCJROMYQSFKM-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001439113899 1091758787 /nfs/dbraw/zinc/75/87/87/1091758787.db2.gz CDBOQDZJDUKJRA-APWZRJJASA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001439179589 1091826725 /nfs/dbraw/zinc/82/67/25/1091826725.db2.gz MQFILBSHXGKHHH-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)NC(=O)CC[NH+](C)C ZINC001439245786 1091895351 /nfs/dbraw/zinc/89/53/51/1091895351.db2.gz PAYOKPNVUMNXCA-AWEZNQCLSA-N 2 0 346.500 2.356 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001439314596 1091985609 /nfs/dbraw/zinc/98/56/09/1091985609.db2.gz RPHSCBLNJRWISJ-LPHOPBHVSA-N 2 0 331.504 2.322 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001439366543 1092092876 /nfs/dbraw/zinc/09/28/76/1092092876.db2.gz NACHMUSQVUCGMP-YJBOKZPZSA-N 2 0 345.503 2.060 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001439366537 1092093588 /nfs/dbraw/zinc/09/35/88/1092093588.db2.gz NACHMUSQVUCGMP-MAUKXSAKSA-N 2 0 345.503 2.060 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)c1 ZINC001446225059 1092328415 /nfs/dbraw/zinc/32/84/15/1092328415.db2.gz PZGLYIIZJOEGJL-UHFFFAOYSA-N 2 0 345.487 2.308 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001439498899 1092333540 /nfs/dbraw/zinc/33/35/40/1092333540.db2.gz QOPXLKYUVHCTJJ-ROUUACIJSA-N 2 0 348.466 2.080 10 0 EEAERP O=C(NCC1([NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001446248772 1092370211 /nfs/dbraw/zinc/37/02/11/1092370211.db2.gz BZLMMTNIHBWOGL-GJZGRUSLSA-N 2 0 341.446 2.287 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001439677449 1092619544 /nfs/dbraw/zinc/61/95/44/1092619544.db2.gz PELCUWZSHVKMQH-SFHVURJKSA-N 2 0 344.503 2.249 10 0 EEAERP CCCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001439801038 1092756935 /nfs/dbraw/zinc/75/69/35/1092756935.db2.gz AWPLVHDUSCODPT-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(C)no2)C1)[NH+](C)C ZINC001439928794 1093011183 /nfs/dbraw/zinc/01/11/83/1093011183.db2.gz BCGRWGDGVDCGCU-AEFFLSMTSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(CCC[N@@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)cc1 ZINC001440146839 1093208132 /nfs/dbraw/zinc/20/81/32/1093208132.db2.gz DWCKHIZCEQLYJF-BGYRXZFFSA-N 2 0 343.515 2.270 10 0 EEAERP Cc1ccncc1C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001440198456 1093269110 /nfs/dbraw/zinc/26/91/10/1093269110.db2.gz DULLZBBKKNXUPY-PKOBYXMFSA-N 2 0 344.503 2.153 10 0 EEAERP CO[C@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001440221944 1093300905 /nfs/dbraw/zinc/30/09/05/1093300905.db2.gz KULIEHVNEVNBPA-HZPDHXFCSA-N 2 0 345.487 2.084 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001440356033 1093512193 /nfs/dbraw/zinc/51/21/93/1093512193.db2.gz VITZRFNZQQZYOH-UHFFFAOYSA-N 2 0 345.487 2.228 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1)C12CC[NH+](CC1)C2 ZINC001440359872 1093521798 /nfs/dbraw/zinc/52/17/98/1093521798.db2.gz WFMWUXNUGPPZJN-IXDOHACOSA-N 2 0 331.504 2.147 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001440363408 1093527975 /nfs/dbraw/zinc/52/79/75/1093527975.db2.gz VEVIBMCNQDAIRR-BZUAXINKSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2(C[NH+](C)C)CC2)o1 ZINC001440418554 1093613103 /nfs/dbraw/zinc/61/31/03/1093613103.db2.gz DORYDAMPCTUTBK-ZBFHGGJFSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001440434014 1093638987 /nfs/dbraw/zinc/63/89/87/1093638987.db2.gz ZBGMFMJYZKTSHP-GDBMZVCRSA-N 2 0 338.521 2.072 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]C/C(Cl)=C\Cl)C2CC2)C1 ZINC001448598746 1093660333 /nfs/dbraw/zinc/66/03/33/1093660333.db2.gz WXOLZBOEEBCHEY-KJYIWAHTSA-N 2 0 348.318 2.474 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001440469170 1093693923 /nfs/dbraw/zinc/69/39/23/1093693923.db2.gz DUFIEHGHSKLCEQ-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001440489532 1093724244 /nfs/dbraw/zinc/72/42/44/1093724244.db2.gz MFLAYKKYXBOIMC-IPYPFGDCSA-N 2 0 340.418 2.357 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001440522533 1093777155 /nfs/dbraw/zinc/77/71/55/1093777155.db2.gz SJPRRQAUYCTURJ-SFHVURJKSA-N 2 0 332.492 2.155 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001448724390 1093794593 /nfs/dbraw/zinc/79/45/93/1093794593.db2.gz VCMMKTBHWAYDEW-ZIAGYGMSSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001448730810 1093800119 /nfs/dbraw/zinc/80/01/19/1093800119.db2.gz VJADYJNAGNKQFH-QZTJIDSGSA-N 2 0 331.504 2.316 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncccc1C ZINC001448785959 1093864853 /nfs/dbraw/zinc/86/48/53/1093864853.db2.gz YKPFRSDJBMOMAC-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001440604276 1093869390 /nfs/dbraw/zinc/86/93/90/1093869390.db2.gz IDDLQAUPJHDEPB-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP CO[C@@H](C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1)C1CCCC1 ZINC001440611387 1093876972 /nfs/dbraw/zinc/87/69/72/1093876972.db2.gz YGOCSNFUJFBMBU-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001440710870 1093957859 /nfs/dbraw/zinc/95/78/59/1093957859.db2.gz DUTQVJWMWFLAJN-ZJTSMVRJSA-N 2 0 334.291 2.370 10 0 EEAERP COc1cccc(C[NH2+]CC2CC(NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001440758819 1094001105 /nfs/dbraw/zinc/00/11/05/1094001105.db2.gz PREBUNXHZOWPNX-UHFFFAOYSA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)C[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449033089 1094044657 /nfs/dbraw/zinc/04/46/57/1094044657.db2.gz SCHZITFCQKGVHU-MOPGFXCFSA-N 2 0 331.504 2.301 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001440844160 1094101610 /nfs/dbraw/zinc/10/16/10/1094101610.db2.gz VYOFQNPBAIAHPA-HZPDHXFCSA-N 2 0 349.519 2.140 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)on1 ZINC001440858575 1094119411 /nfs/dbraw/zinc/11/94/11/1094119411.db2.gz MVOLZUISWGKWMS-HZPDHXFCSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C)o1 ZINC001449285661 1094234534 /nfs/dbraw/zinc/23/45/34/1094234534.db2.gz BGHHDZDOVYBMFT-OAHLLOKOSA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001449369654 1094337403 /nfs/dbraw/zinc/33/74/03/1094337403.db2.gz OPRAOWULNWCKPD-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCc2cccs2)C1 ZINC001441213288 1094577367 /nfs/dbraw/zinc/57/73/67/1094577367.db2.gz STDMDVCLKGHJCO-LSDHHAIUSA-N 2 0 335.517 2.069 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001441252424 1094648825 /nfs/dbraw/zinc/64/88/25/1094648825.db2.gz GPKOWZVJONGUQU-GOSISDBHSA-N 2 0 333.451 2.214 10 0 EEAERP C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001441312015 1094764117 /nfs/dbraw/zinc/76/41/17/1094764117.db2.gz VJXAKXNPFOHUFX-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCC(F)(F)C3)C2)CCC1 ZINC001441492954 1095171296 /nfs/dbraw/zinc/17/12/96/1095171296.db2.gz WPUDVDBLFGGLHZ-MELADBBJSA-N 2 0 329.435 2.143 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC001441504509 1095187898 /nfs/dbraw/zinc/18/78/98/1095187898.db2.gz KVDWAYRZOWCRNQ-BETUJISGSA-N 2 0 338.521 2.129 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001441577819 1095370128 /nfs/dbraw/zinc/37/01/28/1095370128.db2.gz GQDBDLKXSMYIRF-WMZOPIPTSA-N 2 0 344.503 2.060 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441606877 1095462927 /nfs/dbraw/zinc/46/29/27/1095462927.db2.gz YBOIYQAPONWPFJ-IAGOWNOFSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001441649925 1095601871 /nfs/dbraw/zinc/60/18/71/1095601871.db2.gz BZEPOPQEJOGEFK-JSGCOSHPSA-N 2 0 341.858 2.367 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC001441662075 1095628612 /nfs/dbraw/zinc/62/86/12/1095628612.db2.gz VYXAWIRNEPCGBY-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H]1C ZINC001441834056 1095901793 /nfs/dbraw/zinc/90/17/93/1095901793.db2.gz ZVIBOLOTHNAWGG-FUHWJXTLSA-N 2 0 332.492 2.119 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001441933837 1096124723 /nfs/dbraw/zinc/12/47/23/1096124723.db2.gz ZPXXZAQGERWBOT-CYBMUJFWSA-N 2 0 336.480 2.014 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC001441936989 1096129198 /nfs/dbraw/zinc/12/91/98/1096129198.db2.gz QMDHVMMEHGQUCL-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001442189318 1096461821 /nfs/dbraw/zinc/46/18/21/1096461821.db2.gz KFUHBDPHDDRYSY-GJZGRUSLSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001442249281 1096550134 /nfs/dbraw/zinc/55/01/34/1096550134.db2.gz BVOAOBHLDSREAM-VQIMIIECSA-N 2 0 329.488 2.321 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1)[NH+]1CCCC1 ZINC001442339877 1096662008 /nfs/dbraw/zinc/66/20/08/1096662008.db2.gz XUYVLSCTJRNRCG-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP CCc1ccc(CC[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001442400767 1096721597 /nfs/dbraw/zinc/72/15/97/1096721597.db2.gz GZSUHQIBFLAZIA-HXUWFJFHSA-N 2 0 343.515 2.181 10 0 EEAERP CC[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)CC[C@H](C)F ZINC001442684849 1097050943 /nfs/dbraw/zinc/05/09/43/1097050943.db2.gz ICWWOVZFHCRXGQ-AWEZNQCLSA-N 2 0 333.411 2.067 10 0 EEAERP CC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC[C@H](C)F ZINC001442721740 1097093748 /nfs/dbraw/zinc/09/37/48/1097093748.db2.gz SIGMACKJXFQXHX-YOEHRIQHSA-N 2 0 333.467 2.385 10 0 EEAERP C[C@H]([NH2+]Cc1coc(C2CC2)n1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443123256 1097543651 /nfs/dbraw/zinc/54/36/51/1097543651.db2.gz NJMVXOAIRCGAQM-AWEZNQCLSA-N 2 0 348.491 2.220 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C/C=C/Cl)C1 ZINC001443348959 1097871313 /nfs/dbraw/zinc/87/13/13/1097871313.db2.gz ZOSICDNOULALPU-VKFONMJVSA-N 2 0 327.900 2.394 10 0 EEAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCCc2ccccc2Cl)C1 ZINC001443610253 1098105849 /nfs/dbraw/zinc/10/58/49/1098105849.db2.gz TYNNSVWPDRODPB-UHFFFAOYSA-N 2 0 337.895 2.272 10 0 EEAERP CCN(C(=O)Cn1ccnc1)[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001443883898 1098410668 /nfs/dbraw/zinc/41/06/68/1098410668.db2.gz VGGKYTLWISUGDC-LJQANCHMSA-N 2 0 340.471 2.439 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(CO)cc1 ZINC001443916354 1098438451 /nfs/dbraw/zinc/43/84/51/1098438451.db2.gz LGPOAYTUHBMATK-OALUTQOASA-N 2 0 347.503 2.036 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ocnc1C ZINC001479645452 1098676035 /nfs/dbraw/zinc/67/60/35/1098676035.db2.gz QFFCZGOLDSHCIK-UXLLHSPISA-N 2 0 336.480 2.038 10 0 EEAERP Cc1nc(C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)cs1 ZINC001444144053 1098683166 /nfs/dbraw/zinc/68/31/66/1098683166.db2.gz UGQHXAPZEMEXBR-KRWDZBQOSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001444367133 1098933789 /nfs/dbraw/zinc/93/37/89/1098933789.db2.gz KXJWNKPLCVKFNM-APWZRJJASA-N 2 0 346.519 2.079 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CCCOC1 ZINC001479851049 1099150307 /nfs/dbraw/zinc/15/03/07/1099150307.db2.gz NPBYYBZIJSVQMQ-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CCc3cccs3)C2)CC1 ZINC001444559154 1099361088 /nfs/dbraw/zinc/36/10/88/1099361088.db2.gz JHGGBGOUMZLFKI-UHFFFAOYSA-N 2 0 335.517 2.167 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001444707466 1099566121 /nfs/dbraw/zinc/56/61/21/1099566121.db2.gz LIOQKRDVTYAAJB-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001480144295 1099711643 /nfs/dbraw/zinc/71/16/43/1099711643.db2.gz FCDJQUKFIHOSEA-VTHZWRTPSA-N 2 0 346.302 2.418 10 0 EEAERP C[C@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444814178 1099740525 /nfs/dbraw/zinc/74/05/25/1099740525.db2.gz KZNVHKFOWTUCFG-STQMWFEESA-N 2 0 336.307 2.474 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001444828619 1099775333 /nfs/dbraw/zinc/77/53/33/1099775333.db2.gz PKIYWQZOEUAMPJ-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001444830000 1099776762 /nfs/dbraw/zinc/77/67/62/1099776762.db2.gz SSTSPKWYQHUGTJ-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001480221134 1099839641 /nfs/dbraw/zinc/83/96/41/1099839641.db2.gz VOSFDTKBFPORJV-OKILXGFUSA-N 2 0 327.831 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCCOC)C1 ZINC001480272076 1099978407 /nfs/dbraw/zinc/97/84/07/1099978407.db2.gz OSEJVERKRNEQTR-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444909009 1099979421 /nfs/dbraw/zinc/97/94/21/1099979421.db2.gz YPTRTZVEXGKSDB-SFHVURJKSA-N 2 0 330.476 2.350 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2conc2C)C1 ZINC001480386477 1100186574 /nfs/dbraw/zinc/18/65/74/1100186574.db2.gz MLGGRLQWXZGWPW-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1nc(C)oc1C ZINC001445105774 1100341279 /nfs/dbraw/zinc/34/12/79/1100341279.db2.gz HMVZCXWYXNOXGO-HOTGVXAUSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1csc(Cl)n1 ZINC001496360351 1100954124 /nfs/dbraw/zinc/95/41/24/1100954124.db2.gz HLIPPKYTZJSONX-DGCLKSJQSA-N 2 0 344.912 2.075 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496413877 1101006645 /nfs/dbraw/zinc/00/66/45/1101006645.db2.gz JWHHYSDMJAFYAN-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001446549239 1101016416 /nfs/dbraw/zinc/01/64/16/1101016416.db2.gz CITHVPZLCOEVFN-IBGZPJMESA-N 2 0 332.492 2.119 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446554066 1101028106 /nfs/dbraw/zinc/02/81/06/1101028106.db2.gz DVBIBGZTVGGSOT-MSOLQXFVSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)(C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001495360048 1101074359 /nfs/dbraw/zinc/07/43/59/1101074359.db2.gz PAFJVXWCYZLBNY-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001495363454 1101078953 /nfs/dbraw/zinc/07/89/53/1101078953.db2.gz NIKLNVAHCCSVMC-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001446729681 1101304605 /nfs/dbraw/zinc/30/46/05/1101304605.db2.gz VIFDKPCKSZDXIR-KBPBESRZSA-N 2 0 328.407 2.316 10 0 EEAERP CN(CC[N@H+](C)CCOCc1ccccc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001496730790 1101359477 /nfs/dbraw/zinc/35/94/77/1101359477.db2.gz XUVGZLXHMXJCHS-LJQANCHMSA-N 2 0 347.503 2.078 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CC[C@@H]1CCOC1 ZINC001495667364 1101409363 /nfs/dbraw/zinc/40/93/63/1101409363.db2.gz QKZOAFJRMHRBAN-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(F)(F)C1 ZINC001495681213 1101426817 /nfs/dbraw/zinc/42/68/17/1101426817.db2.gz GGJBAYHFIXVMGV-UKRRQHHQSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001495807223 1101622600 /nfs/dbraw/zinc/62/26/00/1101622600.db2.gz BXTGYQJHLIILHB-KBXCAEBGSA-N 2 0 333.451 2.251 10 0 EEAERP C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446946478 1101638709 /nfs/dbraw/zinc/63/87/09/1101638709.db2.gz VOBIEUVBCPOMDD-ZBFHGGJFSA-N 2 0 335.517 2.417 10 0 EEAERP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001446948670 1101642203 /nfs/dbraw/zinc/64/22/03/1101642203.db2.gz YJDZRPUZOAFXPS-ODYMAQSMSA-N 2 0 327.900 2.440 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001496886046 1101666900 /nfs/dbraw/zinc/66/69/00/1101666900.db2.gz DMGSTMDYOOLQAN-GXTWGEPZSA-N 2 0 335.414 2.298 10 0 EEAERP CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001446974312 1101686355 /nfs/dbraw/zinc/68/63/55/1101686355.db2.gz QSWJBINNQVPCSB-QFBILLFUSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496078808 1102020977 /nfs/dbraw/zinc/02/09/77/1102020977.db2.gz IHSXOWVRBSANAZ-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497187544 1102094056 /nfs/dbraw/zinc/09/40/56/1102094056.db2.gz CRLXRWOCZQJZCA-HNAYVOBHSA-N 2 0 347.478 2.460 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001447162942 1102116079 /nfs/dbraw/zinc/11/60/79/1102116079.db2.gz NHSLFGMSUMBRTO-BZUAXINKSA-N 2 0 343.462 2.439 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001447210524 1102209688 /nfs/dbraw/zinc/20/96/88/1102209688.db2.gz AXDRSRPESPJMAZ-GOEBONIOSA-N 2 0 348.516 2.289 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001447210525 1102210785 /nfs/dbraw/zinc/21/07/85/1102210785.db2.gz AXDRSRPESPJMAZ-HOCLYGCPSA-N 2 0 348.516 2.289 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001497262637 1102215460 /nfs/dbraw/zinc/21/54/60/1102215460.db2.gz JAYGGHMGWHFKMV-HNAYVOBHSA-N 2 0 347.503 2.287 10 0 EEAERP CCN(CCNCc1nc(C)sc1C)C(=O)C[N@H+](C)C1CCC1 ZINC001497401512 1102434186 /nfs/dbraw/zinc/43/41/86/1102434186.db2.gz UMTWLSUDFKMSJB-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP CCN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495264 1102581035 /nfs/dbraw/zinc/58/10/35/1102581035.db2.gz BXLLWUBUBFTPIM-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC001497585592 1102702645 /nfs/dbraw/zinc/70/26/45/1102702645.db2.gz KPCSGHWRZNIZJC-GWOVIKRFSA-N 2 0 333.451 2.236 10 0 EEAERP Cc1nc(CNC/C=C/CNC(=O)C[C@H](C)n2ccnc2)sc1C ZINC001497694752 1102919085 /nfs/dbraw/zinc/91/90/85/1102919085.db2.gz WEFMXZDKWGWVRR-IHVVCDCBSA-N 2 0 347.488 2.370 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc(F)c(F)c1)[NH+](C)C ZINC001497904933 1103291790 /nfs/dbraw/zinc/29/17/90/1103291790.db2.gz CBTJVPIDIPOZMH-CXAGYDPISA-N 2 0 341.446 2.188 10 0 EEAERP Cc1nc(C[NH2+]CC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)c(C)s1 ZINC001447825162 1103395726 /nfs/dbraw/zinc/39/57/26/1103395726.db2.gz TXVACVHJJMVBQU-UHFFFAOYSA-N 2 0 338.521 2.085 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001447873974 1103490761 /nfs/dbraw/zinc/49/07/61/1103490761.db2.gz UAOCRVUQXOQAEC-HUUCEWRRSA-N 2 0 333.476 2.162 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)s1 ZINC001498198379 1107067340 /nfs/dbraw/zinc/06/73/40/1107067340.db2.gz KASXPYVSACDJEA-BBRMVZONSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001480789013 1107120416 /nfs/dbraw/zinc/12/04/16/1107120416.db2.gz AAXFGBXYVVEWTJ-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001454767854 1107618827 /nfs/dbraw/zinc/61/88/27/1107618827.db2.gz JYELTQDRJRUULM-SZMVWBNQSA-N 2 0 348.539 2.236 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270047 1107822030 /nfs/dbraw/zinc/82/20/30/1107822030.db2.gz ZZONNCIYMSJLEB-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC001498658471 1107911460 /nfs/dbraw/zinc/91/14/60/1107911460.db2.gz PPUZBWIMFHWDLQ-KBPBESRZSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498822827 1108168920 /nfs/dbraw/zinc/16/89/20/1108168920.db2.gz SJVREHGANXZNOX-LPHOPBHVSA-N 2 0 339.499 2.483 10 0 EEAERP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001455085028 1108192078 /nfs/dbraw/zinc/19/20/78/1108192078.db2.gz KVTUHDOFAIKWIO-QGZVFWFLSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1)[NH+](C)C ZINC001498862618 1108240261 /nfs/dbraw/zinc/24/02/61/1108240261.db2.gz XXAHACBAXFAVFQ-LSDHHAIUSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cncn1C ZINC001493859314 1108748812 /nfs/dbraw/zinc/74/88/12/1108748812.db2.gz QZVGCDHZDYTBED-SFHVURJKSA-N 2 0 349.523 2.010 10 0 EEAERP CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)(c2ccccc2)CC1 ZINC001464488589 1110395276 /nfs/dbraw/zinc/39/52/76/1110395276.db2.gz XAOZJGUDTLUZLW-SFHVURJKSA-N 2 0 341.499 2.393 10 0 EEAERP CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@H](C)C2)(c2ccccc2)CC1 ZINC001465411673 1110417104 /nfs/dbraw/zinc/41/71/04/1110417104.db2.gz MXYXSKHJNLZNGT-SFHVURJKSA-N 2 0 343.515 2.498 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC([NH+]2CCCC2)C1 ZINC001469986329 1110499690 /nfs/dbraw/zinc/49/96/90/1110499690.db2.gz NLKCKTXOCXCIKK-IBGZPJMESA-N 2 0 327.472 2.348 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001499183625 1112166879 /nfs/dbraw/zinc/16/68/79/1112166879.db2.gz GGKAAPYYXHSMNN-QGZVFWFLSA-N 2 0 345.487 2.015 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH+](CCCF)C1 ZINC001499482542 1112315459 /nfs/dbraw/zinc/31/54/59/1112315459.db2.gz WESMDGUZYKMBAU-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCOCC1 ZINC001500570395 1112948882 /nfs/dbraw/zinc/94/88/82/1112948882.db2.gz DXQRADIEINFAKO-UHFFFAOYSA-N 2 0 339.524 2.306 10 0 EEAERP C[C@H]([NH2+]CCCCCF)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501067864 1113187180 /nfs/dbraw/zinc/18/71/80/1113187180.db2.gz UMRJUOPXLKIJPP-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)[NH+](CC)CC ZINC001502797713 1113802855 /nfs/dbraw/zinc/80/28/55/1113802855.db2.gz QRJCRUCBRBNTIZ-INIZCTEOSA-N 2 0 349.523 2.011 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CC[C@H]2CCOC2)CC1 ZINC001502805462 1113805780 /nfs/dbraw/zinc/80/57/80/1113805780.db2.gz HLCMPKPQMLUVPB-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001505465830 1114000484 /nfs/dbraw/zinc/00/04/84/1114000484.db2.gz NBLMZNBPPFUFRA-GOSISDBHSA-N 2 0 347.503 2.458 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)on1 ZINC001505605993 1114081168 /nfs/dbraw/zinc/08/11/68/1114081168.db2.gz MFABDBQTOMSDRT-LSDHHAIUSA-N 2 0 336.480 2.230 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1coc(C2CC2)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505848242 1114231362 /nfs/dbraw/zinc/23/13/62/1114231362.db2.gz NUZYHJGQERGBFO-OAHLLOKOSA-N 2 0 348.491 2.078 10 0 EEAERP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001505848802 1114232049 /nfs/dbraw/zinc/23/20/49/1114232049.db2.gz XJRNXWLKUAVRJM-SFHVURJKSA-N 2 0 346.519 2.224 10 0 EEAERP COCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001506957473 1115004708 /nfs/dbraw/zinc/00/47/08/1115004708.db2.gz PMJHUJHLOAALOO-SFHVURJKSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001506992312 1115037494 /nfs/dbraw/zinc/03/74/94/1115037494.db2.gz DPNWYPNFKBUOFQ-OAHLLOKOSA-N 2 0 331.451 2.248 10 0 EEAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001507291186 1115176214 /nfs/dbraw/zinc/17/62/14/1115176214.db2.gz YGXZWZBFMVETLY-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CCCCCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001507290729 1115176473 /nfs/dbraw/zinc/17/64/73/1115176473.db2.gz UQLCPZOKRFKUDF-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3coc(C)n3)[C@@H]2C1 ZINC001507361459 1115221761 /nfs/dbraw/zinc/22/17/61/1115221761.db2.gz BNKDEDACNHDGJB-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[NH2+][C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001507390801 1115247429 /nfs/dbraw/zinc/24/74/29/1115247429.db2.gz ZKHPEZLUTAAULN-VQTJNVASSA-N 2 0 343.515 2.444 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@@H](C(F)(F)F)C1 ZINC001507455101 1115279731 /nfs/dbraw/zinc/27/97/31/1115279731.db2.gz AYWKTAUPICENMJ-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)sn1 ZINC001508031411 1115394935 /nfs/dbraw/zinc/39/49/35/1115394935.db2.gz XGDVDBLXXLMUDQ-HNNXBMFYSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001509226291 1115762452 /nfs/dbraw/zinc/76/24/52/1115762452.db2.gz JNUNBYPUPIJLKF-DLBZAZTESA-N 2 0 348.539 2.101 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001540246199 1124079004 /nfs/dbraw/zinc/07/90/04/1124079004.db2.gz HSIGKLHPOQTIDH-QFBILLFUSA-N 2 0 344.503 2.497 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567922082 1124181952 /nfs/dbraw/zinc/18/19/52/1124181952.db2.gz LTEAZSATVDXOEC-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cnc(C[NH2+]CCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001568092597 1124297229 /nfs/dbraw/zinc/29/72/29/1124297229.db2.gz WHRVZRXTUSMWOH-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1F)[NH+](C)C ZINC001568279533 1124400900 /nfs/dbraw/zinc/40/09/00/1124400900.db2.gz PMPRNWXZWYOJKY-YJBOKZPZSA-N 2 0 337.483 2.391 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568920011 1124946913 /nfs/dbraw/zinc/94/69/13/1124946913.db2.gz NFXNYDFRKHFERX-KZSQQDEKSA-N 2 0 340.471 2.272 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001569076655 1125083001 /nfs/dbraw/zinc/08/30/01/1125083001.db2.gz XDTGGJSFZSZHTA-BQFCYCMXSA-N 2 0 347.503 2.062 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)c1ncccn1 ZINC001569246770 1125192773 /nfs/dbraw/zinc/19/27/73/1125192773.db2.gz OZEDQYJEQZQDBB-IAGOWNOFSA-N 2 0 347.507 2.240 10 0 EEAERP [NH3+]CC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccc(Cl)cc3)n2)CC1 ZINC000073696225 202371583 /nfs/dbraw/zinc/37/15/83/202371583.db2.gz ARRGWKPXQGDJAO-UHFFFAOYSA-N 2 0 332.835 2.261 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000078682364 201192255 /nfs/dbraw/zinc/19/22/55/201192255.db2.gz ULTXDXMXLPAGBW-IAGOWNOFSA-N 2 0 346.519 2.463 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCN(C)C2CCCCC2)CC[NH2+]CC1 ZINC000422709875 240188581 /nfs/dbraw/zinc/18/85/81/240188581.db2.gz ZVYQEMXMCZSDCG-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422770754 240217088 /nfs/dbraw/zinc/21/70/88/240217088.db2.gz XEGVZMCCLDVFGF-KBPBESRZSA-N 2 0 343.418 2.210 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000423047718 240344220 /nfs/dbraw/zinc/34/42/20/240344220.db2.gz VOQBUJBWWUMUEN-VDGAXYAQSA-N 2 0 347.503 2.317 10 0 EEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000022176535 212280046 /nfs/dbraw/zinc/28/00/46/212280046.db2.gz SJYOSIKNVLOJDG-HNNXBMFYSA-N 2 0 326.282 2.477 10 0 EEAERP Cc1nc2ccccc2nc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069948368 203065629 /nfs/dbraw/zinc/06/56/29/203065629.db2.gz BEAJAGZNZQRIJX-HNNXBMFYSA-N 2 0 342.487 2.463 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000070020733 203071204 /nfs/dbraw/zinc/07/12/04/203071204.db2.gz MVCLUZUIGKCAJZ-QGZVFWFLSA-N 2 0 342.487 2.397 10 0 EEAERP CN1CC[NH+](CCCCN2Cc3c(cccc3Cl)[C@@H]2C[NH3+])CC1 ZINC000071683248 203103385 /nfs/dbraw/zinc/10/33/85/203103385.db2.gz MAWOQDOMZUZLAN-SFHVURJKSA-N 2 0 336.911 2.183 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106434832 204194477 /nfs/dbraw/zinc/19/44/77/204194477.db2.gz QAZYIQOJHLOIAE-RTBURBONSA-N 2 0 331.504 2.396 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1C ZINC000337573763 285249362 /nfs/dbraw/zinc/24/93/62/285249362.db2.gz FXCMDZQNTDXBOC-QGZVFWFLSA-N 2 0 332.492 2.187 10 0 EEAERP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195267658 256008733 /nfs/dbraw/zinc/00/87/33/256008733.db2.gz PIFQUAQSGOJCBO-HNNXBMFYSA-N 2 0 338.521 2.074 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000079409089 292195905 /nfs/dbraw/zinc/19/59/05/292195905.db2.gz ROVCCXKJMOHSDG-OAHLLOKOSA-N 2 0 333.476 2.146 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000119018535 292240204 /nfs/dbraw/zinc/24/02/04/292240204.db2.gz ZGFYCEPLOJZJNJ-FPQWYMTMSA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000130280510 292370796 /nfs/dbraw/zinc/37/07/96/292370796.db2.gz BABHCBTYIZZRBS-UHFFFAOYSA-N 2 0 335.496 2.023 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](O)[C@@H](CC)C2)CC1 ZINC000355197117 163108268 /nfs/dbraw/zinc/10/82/68/163108268.db2.gz LABRFKUIAXQLTD-PXNSSMCTSA-N 2 0 331.504 2.421 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355355363 163158389 /nfs/dbraw/zinc/15/83/89/163158389.db2.gz UWMVUPOFKVSDCS-LMDPOFIKSA-N 2 0 348.535 2.377 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](COC)CC(C)C)cn2)CC1 ZINC000360030933 164220887 /nfs/dbraw/zinc/22/08/87/164220887.db2.gz YBQSLFFANUWORE-SFHVURJKSA-N 2 0 334.508 2.374 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000368227604 166073369 /nfs/dbraw/zinc/07/33/69/166073369.db2.gz OWSMMUNJNMQCPN-PBHICJAKSA-N 2 0 345.422 2.008 10 0 EEAERP Cc1nccn1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000369874032 166348461 /nfs/dbraw/zinc/34/84/61/166348461.db2.gz POWWCQSMGZOWBO-SJORKVTESA-N 2 0 333.480 2.238 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@@H]2CCC[C@H]21 ZINC000376112472 167263789 /nfs/dbraw/zinc/26/37/89/167263789.db2.gz FURKNCIAULVVCU-OKZBNKHCSA-N 2 0 341.455 2.135 10 0 EEAERP CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](CCC[NH3+])COC)ccc2NC1=O ZINC000422810579 287343668 /nfs/dbraw/zinc/34/36/68/287343668.db2.gz NSTRODJDGQFGDW-XPKDYRNWSA-N 2 0 335.448 2.201 10 0 EEAERP COc1ccc(OC)c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000185897089 274023864 /nfs/dbraw/zinc/02/38/64/274023864.db2.gz STOOVMFOLKWMRS-UHFFFAOYSA-N 2 0 335.492 2.210 10 0 EEAERP COC[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000151946973 274044341 /nfs/dbraw/zinc/04/43/41/274044341.db2.gz CAUGQRDSOHACCP-UXHICEINSA-N 2 0 332.488 2.447 10 0 EEAERP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291682984 275329595 /nfs/dbraw/zinc/32/95/95/275329595.db2.gz CPEZDYCACCPSHH-VQIMIIECSA-N 2 0 329.488 2.498 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000448276929 276007342 /nfs/dbraw/zinc/00/73/42/276007342.db2.gz VISFNKPZQHWEDV-IAGOWNOFSA-N 2 0 345.491 2.035 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000428472048 276013148 /nfs/dbraw/zinc/01/31/48/276013148.db2.gz DZFRDQACOKDTJG-PXNSSMCTSA-N 2 0 331.504 2.421 10 0 EEAERP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C[C@@H]1C ZINC000415964701 276239637 /nfs/dbraw/zinc/23/96/37/276239637.db2.gz YCSOIVJYADMLNR-QWHCGFSZSA-N 2 0 334.439 2.418 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349669722 278003043 /nfs/dbraw/zinc/00/30/43/278003043.db2.gz QRTALVXJGWUDCR-SOLBZPMBSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC1(C)C ZINC000487274070 278343742 /nfs/dbraw/zinc/34/37/42/278343742.db2.gz FTLYGFFYOWWFCQ-SJORKVTESA-N 2 0 331.508 2.403 10 0 EEAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000423403790 288090479 /nfs/dbraw/zinc/09/04/79/288090479.db2.gz SGEVBICSBDMGJL-PVAVHDDUSA-N 2 0 333.476 2.192 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000333223632 312114700 /nfs/dbraw/zinc/11/47/00/312114700.db2.gz AMKWWPSRCHKRGP-VMGRFDJRSA-N 2 0 343.462 2.437 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416841014 313331466 /nfs/dbraw/zinc/33/14/66/313331466.db2.gz LOHIFJZESMBJKS-OWCLPIDISA-N 2 0 348.516 2.421 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000416847285 313335205 /nfs/dbraw/zinc/33/52/05/313335205.db2.gz VFXAPXQAMWVVQU-RTBURBONSA-N 2 0 344.503 2.388 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416883545 313347197 /nfs/dbraw/zinc/34/71/97/313347197.db2.gz JQOKMOMDKOKBLC-OLZOCXBDSA-N 2 0 338.883 2.339 10 0 EEAERP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000416973005 313378316 /nfs/dbraw/zinc/37/83/16/313378316.db2.gz TWKIVLCXODUKSE-OWCLPIDISA-N 2 0 332.492 2.453 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000416984824 313383551 /nfs/dbraw/zinc/38/35/51/313383551.db2.gz HMTBOAAZUVPGJS-YJBOKZPZSA-N 2 0 348.491 2.038 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417007815 313392099 /nfs/dbraw/zinc/39/20/99/313392099.db2.gz IAVZIYGPSUFTNU-JKSUJKDBSA-N 2 0 332.473 2.350 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccsc1 ZINC000417011527 313393737 /nfs/dbraw/zinc/39/37/37/313393737.db2.gz SGEJGWBSCORNGT-CWRNSKLLSA-N 2 0 338.521 2.428 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000417158644 313437355 /nfs/dbraw/zinc/43/73/55/313437355.db2.gz BKZGDDUFAPARSD-WMLDXEAASA-N 2 0 336.455 2.117 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000418456282 313818481 /nfs/dbraw/zinc/81/84/81/313818481.db2.gz FKRUVMVBNUYXCM-KSSFIOAISA-N 2 0 330.476 2.237 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444619550 315311422 /nfs/dbraw/zinc/31/14/22/315311422.db2.gz XYDPJQIENVJDNX-UHFFFAOYSA-N 2 0 347.503 2.479 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000518938863 316752679 /nfs/dbraw/zinc/75/26/79/316752679.db2.gz WDUMHRFLHXQQMF-SZMVWBNQSA-N 2 0 330.476 2.263 10 0 EEAERP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000527497788 317201050 /nfs/dbraw/zinc/20/10/50/317201050.db2.gz BYMXENLWQCHECM-GVDBMIGSSA-N 2 0 330.476 2.493 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000562360727 318873405 /nfs/dbraw/zinc/87/34/05/318873405.db2.gz ODUYEBZOGYLJJY-UHFFFAOYSA-N 2 0 349.442 2.124 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000563559241 319023483 /nfs/dbraw/zinc/02/34/83/319023483.db2.gz OLIBHNLETLIBEU-CRAIPNDOSA-N 2 0 330.476 2.080 10 0 EEAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000565891071 319224483 /nfs/dbraw/zinc/22/44/83/319224483.db2.gz INQRVJWPRXITCD-VXNCWWDNSA-N 2 0 333.451 2.377 10 0 EEAERP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000566258865 319265744 /nfs/dbraw/zinc/26/57/44/319265744.db2.gz FNZCBAFQPSNNFP-QYZOEREBSA-N 2 0 341.430 2.477 10 0 EEAERP Cn1ccnc1[C@H]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000574766573 320055330 /nfs/dbraw/zinc/05/53/30/320055330.db2.gz NTHDBHBTPLXUHV-LBPRGKRZSA-N 2 0 345.472 2.183 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000574784010 320057647 /nfs/dbraw/zinc/05/76/47/320057647.db2.gz JIIAPZQIDVKQBE-PKOBYXMFSA-N 2 0 336.524 2.284 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000576688935 320195110 /nfs/dbraw/zinc/19/51/10/320195110.db2.gz XJKDBCWLSGYKEH-MAUKXSAKSA-N 2 0 330.476 2.476 10 0 EEAERP CN(CCC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1cc[nH+]cc1 ZINC000577009759 320224287 /nfs/dbraw/zinc/22/42/87/320224287.db2.gz VVEZFFUCYKRGRI-SFHVURJKSA-N 2 0 344.434 2.466 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000391653749 323548160 /nfs/dbraw/zinc/54/81/60/323548160.db2.gz GIDGABQQAMERET-UHFFFAOYSA-N 2 0 327.428 2.381 10 0 EEAERP CSC1(C[NH2+]C[C@H](O)COc2ccc(C)cc2)CC[NH+](C)CC1 ZINC000578619975 323668627 /nfs/dbraw/zinc/66/86/27/323668627.db2.gz GYNSKCVMWRHDRH-INIZCTEOSA-N 2 0 338.517 2.152 10 0 EEAERP CC1=CC[NH+](CCNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000341360032 465130062 /nfs/dbraw/zinc/13/00/62/465130062.db2.gz DIDHLUZWABVVJV-GOSISDBHSA-N 2 0 344.503 2.458 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348048834 465392412 /nfs/dbraw/zinc/39/24/12/465392412.db2.gz WOBDOGMSPIRANI-BDUQCRIQSA-N 2 0 341.499 2.496 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046372334 462675086 /nfs/dbraw/zinc/67/50/86/462675086.db2.gz DKCFAKFRZWDQHH-INIZCTEOSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579211082 468325808 /nfs/dbraw/zinc/32/58/08/468325808.db2.gz JRGALALPFABCFG-NTDBWNAOSA-N 2 0 336.524 2.138 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000579223560 468327561 /nfs/dbraw/zinc/32/75/61/468327561.db2.gz ARJYPZBRDQGUPD-RCCFBDPRSA-N 2 0 325.541 2.179 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000049794898 462978215 /nfs/dbraw/zinc/97/82/15/462978215.db2.gz VQJSEXYVBWRMMM-PKOBYXMFSA-N 2 0 346.519 2.333 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000157268180 463115236 /nfs/dbraw/zinc/11/52/36/463115236.db2.gz XNUVIIOLFVNNPX-OALUTQOASA-N 2 0 346.519 2.141 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C(C)C)C2CCCC2)C1 ZINC000068449157 463139569 /nfs/dbraw/zinc/13/95/69/463139569.db2.gz NZDZLSUJXJDCHS-SFHVURJKSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000069349840 463233453 /nfs/dbraw/zinc/23/34/53/463233453.db2.gz JGDGFMZWOBRVIQ-HNNXBMFYSA-N 2 0 328.460 2.259 10 0 EEAERP C[N@H+](CCC1OCCO1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000124181787 463396458 /nfs/dbraw/zinc/39/64/58/463396458.db2.gz RVSPIAPHLUUAPE-IBGZPJMESA-N 2 0 348.487 2.127 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(Br)c1 ZINC000103212833 463398404 /nfs/dbraw/zinc/39/84/04/463398404.db2.gz OKIKHSZYMDBCIP-UHFFFAOYSA-N 2 0 348.310 2.076 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000170862333 463724939 /nfs/dbraw/zinc/72/49/39/463724939.db2.gz NDQXENHHXJRDQW-HOTGVXAUSA-N 2 0 334.464 2.152 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863084 463724997 /nfs/dbraw/zinc/72/49/97/463724997.db2.gz TWWDXNBNNCWCRM-ZWKOTPCHSA-N 2 0 332.492 2.415 10 0 EEAERP CC(C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171155967 463799390 /nfs/dbraw/zinc/79/93/90/463799390.db2.gz CJEBEJDFGMRUBU-UHFFFAOYSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@]1(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261989278 463918601 /nfs/dbraw/zinc/91/86/01/463918601.db2.gz KBONFHFKOOOKOD-SFHVURJKSA-N 2 0 335.879 2.026 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279072147 464032650 /nfs/dbraw/zinc/03/26/50/464032650.db2.gz GDBOFPDTMUDBPK-IBGZPJMESA-N 2 0 328.460 2.199 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000262666001 464036874 /nfs/dbraw/zinc/03/68/74/464036874.db2.gz KACINWRCQBSICW-BQFCYCMXSA-N 2 0 345.487 2.466 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C1CCCCC1 ZINC000173850159 464321803 /nfs/dbraw/zinc/32/18/03/464321803.db2.gz BNLFTZYVEIXHGQ-GOSISDBHSA-N 2 0 334.508 2.297 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267211 464385816 /nfs/dbraw/zinc/38/58/16/464385816.db2.gz SYZPYQUFMWIOQB-SJLPKXTDSA-N 2 0 332.492 2.243 10 0 EEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[NH+](C)C)cc2)CC1 ZINC000264846417 464489663 /nfs/dbraw/zinc/48/96/63/464489663.db2.gz BILZQWPTBPUSBZ-UHFFFAOYSA-N 2 0 346.519 2.289 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000245585461 464496379 /nfs/dbraw/zinc/49/63/79/464496379.db2.gz AGWCJIUJNPDWRW-IAGOWNOFSA-N 2 0 326.529 2.336 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000175304361 464522916 /nfs/dbraw/zinc/52/29/16/464522916.db2.gz YQFPLEOCIYTNAU-UHFFFAOYSA-N 2 0 333.480 2.082 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246246926 464563348 /nfs/dbraw/zinc/56/33/48/464563348.db2.gz OVEKZQMJPZASTI-IXDOHACOSA-N 2 0 348.491 2.444 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(C)C)CC2)[C@@H](C)C1 ZINC000246382962 464577216 /nfs/dbraw/zinc/57/72/16/464577216.db2.gz IKTXUYWCVRXLJH-WMZOPIPTSA-N 2 0 338.540 2.479 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000246404465 464580645 /nfs/dbraw/zinc/58/06/45/464580645.db2.gz KLIVBVZSUGQVQL-JYJNAYRXSA-N 2 0 326.529 2.334 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(C)nc3sccn3c2=O)[C@@H](C)C1 ZINC000285502213 464587362 /nfs/dbraw/zinc/58/73/62/464587362.db2.gz FEYZLXPGZICCGN-BBRMVZONSA-N 2 0 348.516 2.269 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000568966330 468413845 /nfs/dbraw/zinc/41/38/45/468413845.db2.gz GXYFWRHMZZMVHV-IMFGXOCKSA-N 2 0 344.503 2.481 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000248713655 464790702 /nfs/dbraw/zinc/79/07/02/464790702.db2.gz QXTVTBNGSPEZEY-QWHCGFSZSA-N 2 0 325.478 2.182 10 0 EEAERP C[C@H](c1cccc(F)c1)N1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000249276075 464856692 /nfs/dbraw/zinc/85/66/92/464856692.db2.gz KYYDJZYHXUOEAP-DLBZAZTESA-N 2 0 335.467 2.225 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000268241689 464988361 /nfs/dbraw/zinc/98/83/61/464988361.db2.gz VCXCTSAQDFCFNF-BEFAXECRSA-N 2 0 327.472 2.495 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000342757176 465344557 /nfs/dbraw/zinc/34/45/57/465344557.db2.gz UTLKUXUVXBPSOP-MSOLQXFVSA-N 2 0 327.472 2.195 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000352188926 465500367 /nfs/dbraw/zinc/50/03/67/465500367.db2.gz KJHCMDBCRAXOJO-UHFFFAOYSA-N 2 0 347.569 2.244 10 0 EEAERP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000371073602 465583872 /nfs/dbraw/zinc/58/38/72/465583872.db2.gz IJKPTLMUYJUWPP-SJORKVTESA-N 2 0 336.455 2.212 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OCCO ZINC000353451597 465892497 /nfs/dbraw/zinc/89/24/97/465892497.db2.gz AUPMAHCXFZGQNW-BBWFWOEESA-N 2 0 334.460 2.029 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000346193192 465978630 /nfs/dbraw/zinc/97/86/30/465978630.db2.gz FGSGCZZHFQVAAJ-DLBZAZTESA-N 2 0 330.457 2.282 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)C2)n(C)n1 ZINC000353588058 465996815 /nfs/dbraw/zinc/99/68/15/465996815.db2.gz KXHHIYNMRLTORH-BSDSXHPESA-N 2 0 331.508 2.160 10 0 EEAERP CC[C@H]1C[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000349342051 466073698 /nfs/dbraw/zinc/07/36/98/466073698.db2.gz CWZANXSOKSIVLQ-BYDNXPSSSA-N 2 0 335.536 2.434 10 0 EEAERP c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000367094824 466126101 /nfs/dbraw/zinc/12/61/01/466126101.db2.gz RPVDFKKCBCXIAW-LJQANCHMSA-N 2 0 343.515 2.483 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349661253 466179690 /nfs/dbraw/zinc/17/96/90/466179690.db2.gz HNPMUQZBNSGUKU-FUHWJXTLSA-N 2 0 336.524 2.377 10 0 EEAERP CN(C(=O)[C@H]1CCCN1Cc1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361774986 466278099 /nfs/dbraw/zinc/27/80/99/466278099.db2.gz ZTHNFLICRXBMDF-RBUKOAKNSA-N 2 0 345.462 2.485 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367527965 466395319 /nfs/dbraw/zinc/39/53/19/466395319.db2.gz UUBCSQYUUOSZGR-BJLQDIEVSA-N 2 0 329.488 2.486 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)[C@H]2CCC[C@H]21 ZINC000367622866 466453679 /nfs/dbraw/zinc/45/36/79/466453679.db2.gz HQSTZYMLDPYEKT-QHAWAJNXSA-N 2 0 343.515 2.481 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@H]21 ZINC000354360246 466503882 /nfs/dbraw/zinc/50/38/82/466503882.db2.gz BJRSKXJRQXWXAP-VQTJNVASSA-N 2 0 341.499 2.378 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000358196239 466532188 /nfs/dbraw/zinc/53/21/88/466532188.db2.gz URZCJWKEGFUKJP-GOSISDBHSA-N 2 0 336.524 2.448 10 0 EEAERP Cc1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)ccn1 ZINC000415392281 466662751 /nfs/dbraw/zinc/66/27/51/466662751.db2.gz JAISTQWXGJPPES-SJORKVTESA-N 2 0 328.391 2.300 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C3)cc1 ZINC000423192967 466694593 /nfs/dbraw/zinc/69/45/93/466694593.db2.gz WCPZPMGEKVORJT-MZADTFQBSA-N 3 0 342.531 2.067 10 0 EEAERP C1C[C@H]([C@H]2CCCC[NH2+]2)[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423508376 466761275 /nfs/dbraw/zinc/76/12/75/466761275.db2.gz LBAPAIZOHBJHII-WKXIVMOISA-N 3 0 334.552 2.103 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417220304 466805961 /nfs/dbraw/zinc/80/59/61/466805961.db2.gz LGRXBHSPPNOXNR-SZVBFZGTSA-N 2 0 342.487 2.358 10 0 EEAERP O=C1C[C@]2(CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)CN1 ZINC000411682198 466877481 /nfs/dbraw/zinc/87/74/81/466877481.db2.gz XEAZOQVPRFRSGK-HXUWFJFHSA-N 2 0 327.472 2.385 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000417630425 466895478 /nfs/dbraw/zinc/89/54/78/466895478.db2.gz QXHWQIHNWZPPIS-YQQAZPJKSA-N 2 0 332.492 2.413 10 0 EEAERP CC1CC[NH+](CCCNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000377083834 467021217 /nfs/dbraw/zinc/02/12/17/467021217.db2.gz OYSARQWZNXAWRM-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418564552 467128964 /nfs/dbraw/zinc/12/89/64/467128964.db2.gz WYOOIAHDYATFNR-YTQUADARSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000418597846 467133968 /nfs/dbraw/zinc/13/39/68/467133968.db2.gz QBDSTWWPDWATLA-IEBWSBKVSA-N 2 0 346.519 2.190 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432344846 467233234 /nfs/dbraw/zinc/23/32/34/467233234.db2.gz FXVRHXZDTDWRLE-INIZCTEOSA-N 2 0 343.475 2.166 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000428472047 467236263 /nfs/dbraw/zinc/23/62/63/467236263.db2.gz DZFRDQACOKDTJG-FXAWDEMLSA-N 2 0 331.504 2.421 10 0 EEAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000386250683 467389165 /nfs/dbraw/zinc/38/91/65/467389165.db2.gz DAJOJYQKRRXADV-RSRIQPTJSA-N 2 0 343.515 2.254 10 0 EEAERP C[N@H+](C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000390844271 467415935 /nfs/dbraw/zinc/41/59/35/467415935.db2.gz FZGYPBLHGBODIC-VCYXJBJXSA-N 2 0 343.515 2.227 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404441709 467475088 /nfs/dbraw/zinc/47/50/88/467475088.db2.gz VCZNVIZZGYPMOC-DIKXUDHVSA-N 2 0 329.488 2.352 10 0 EEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000404452721 467475283 /nfs/dbraw/zinc/47/52/83/467475283.db2.gz ZOWRQFJFCDKNBZ-IMBTUZDBSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000454633937 467605945 /nfs/dbraw/zinc/60/59/45/467605945.db2.gz RRMBCVBMLFITHX-MJGOQNOKSA-N 2 0 344.503 2.244 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@](C)(O)COC)CC1 ZINC000449383898 467634869 /nfs/dbraw/zinc/63/48/69/467634869.db2.gz KTYWJDSGEBGBFK-HXUWFJFHSA-N 2 0 349.519 2.096 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000570617685 468665771 /nfs/dbraw/zinc/66/57/71/468665771.db2.gz ILVRNTOKFIMTBO-UHOSZYNNSA-N 2 0 344.503 2.429 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479175 468707423 /nfs/dbraw/zinc/70/74/23/468707423.db2.gz TVZIVMYJCATBDL-RDJZCZTQSA-N 2 0 344.459 2.189 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000594927513 468723651 /nfs/dbraw/zinc/72/36/51/468723651.db2.gz VSKWBEZWRJZUSZ-KFKAGJAMSA-N 2 0 346.471 2.448 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000595011432 468743058 /nfs/dbraw/zinc/74/30/58/468743058.db2.gz YJLOGJDWIVNOKH-HZPDHXFCSA-N 2 0 340.508 2.445 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000625859576 469414123 /nfs/dbraw/zinc/41/41/23/469414123.db2.gz UTXUQNMWWCQCEP-DLBZAZTESA-N 2 0 334.464 2.279 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cn1 ZINC000622414089 469436700 /nfs/dbraw/zinc/43/67/00/469436700.db2.gz MKPDVFHFEFLYJN-UHFFFAOYSA-N 2 0 344.434 2.144 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000604789368 469513193 /nfs/dbraw/zinc/51/31/93/469513193.db2.gz YPEGJEJLBGOHAU-FUHWJXTLSA-N 2 0 333.451 2.248 10 0 EEAERP CC(CC[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140149 469515341 /nfs/dbraw/zinc/51/53/41/469515341.db2.gz PRSNYSKFLRFJRK-VTYCOLDWSA-N 2 0 336.520 2.093 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000629530642 469573064 /nfs/dbraw/zinc/57/30/64/469573064.db2.gz MICKFLXGCJXZRJ-ZDUSSCGKSA-N 2 0 327.266 2.132 10 0 EEAERP C[N@@H+]1CC[C@@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623421244 469651843 /nfs/dbraw/zinc/65/18/43/469651843.db2.gz CXULOMVKNKWWEQ-TZIWHRDSSA-N 2 0 345.531 2.476 10 0 EEAERP C[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375310 469697209 /nfs/dbraw/zinc/69/72/09/469697209.db2.gz AUTNHFHDGNNOEH-SOUVJXGZSA-N 2 0 330.476 2.284 10 0 EEAERP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623576406 469699131 /nfs/dbraw/zinc/69/91/31/469699131.db2.gz VPTXMTMCUFOBAC-UHFFFAOYSA-N 2 0 347.503 2.306 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000626949452 469766926 /nfs/dbraw/zinc/76/69/26/469766926.db2.gz MOFYKDQDLYXRTL-LPHOPBHVSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000627005044 469786622 /nfs/dbraw/zinc/78/66/22/469786622.db2.gz RKEZRBBUEWPBQN-KCITZHQASA-N 2 0 344.503 2.337 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627201044 469842504 /nfs/dbraw/zinc/84/25/04/469842504.db2.gz VXBFIBDAECOZND-WMZOPIPTSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627200717 469842678 /nfs/dbraw/zinc/84/26/78/469842678.db2.gz UAVUEILSVQTWSV-QRQLOZEOSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[NH2+]1 ZINC000627206576 469844861 /nfs/dbraw/zinc/84/48/61/469844861.db2.gz HKHAJTXDLXZNPH-KCXAZCMYSA-N 2 0 338.883 2.382 10 0 EEAERP CN(CC[NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627220360 469848678 /nfs/dbraw/zinc/84/86/78/469848678.db2.gz ODCFAECZFQVTKO-CYBMUJFWSA-N 2 0 333.263 2.196 10 0 EEAERP CC(C)(CN1CCOCC1)Nc1nc2ccccc2n2cncc12 ZINC000624279115 469895497 /nfs/dbraw/zinc/89/54/97/469895497.db2.gz HNGSSEYEPVCIHM-UHFFFAOYSA-N 2 0 325.416 2.405 10 0 EEAERP CN(CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc[nH+]cc1 ZINC000620771287 469910966 /nfs/dbraw/zinc/91/09/66/469910966.db2.gz FSTRAHAERVXRER-IBGZPJMESA-N 2 0 338.455 2.299 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C(F)F)nc3)ccn2)CC1 ZINC000631041950 470054192 /nfs/dbraw/zinc/05/41/92/470054192.db2.gz DODSBRGOQRRCOQ-UHFFFAOYSA-N 2 0 347.413 2.456 10 0 EEAERP Cn1cc(CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000625132621 470082360 /nfs/dbraw/zinc/08/23/60/470082360.db2.gz UIBJHLLLZIKCMJ-UHFFFAOYSA-N 2 0 327.476 2.202 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000625257198 470106696 /nfs/dbraw/zinc/10/66/96/470106696.db2.gz XUKZLXCTAYMSHF-UONOGXRCSA-N 2 0 337.430 2.449 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000632895692 470283797 /nfs/dbraw/zinc/28/37/97/470283797.db2.gz UVCCGLOADZUAQK-HZPDHXFCSA-N 2 0 348.491 2.466 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000638836723 470299805 /nfs/dbraw/zinc/29/98/05/470299805.db2.gz VVSWTRNLKOVKMJ-BVBHFADKSA-N 2 0 329.488 2.388 10 0 EEAERP C[NH+]1CCC(n2cc(NC(=O)NCC3([NH3+])CCCCCC3)cn2)CC1 ZINC000632962328 470300386 /nfs/dbraw/zinc/30/03/86/470300386.db2.gz JSNKMNCDCDKOCM-UHFFFAOYSA-N 2 0 348.495 2.323 10 0 EEAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC/C=C\C[NH3+] ZINC000641869440 470504816 /nfs/dbraw/zinc/50/48/16/470504816.db2.gz ACNCLHTXXMRASN-MJRGOJFPSA-N 2 0 330.476 2.055 10 0 EEAERP [NH3+]C/C=C/CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000641870329 470505709 /nfs/dbraw/zinc/50/57/09/470505709.db2.gz SAIWIKSTZAFKQX-SNAWJCMRSA-N 2 0 342.487 2.199 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000647535987 470925272 /nfs/dbraw/zinc/92/52/72/470925272.db2.gz OZLWWPSHCQYGPQ-HXUWFJFHSA-N 2 0 340.471 2.169 10 0 EEAERP [NH3+]CC1(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000650711917 470948192 /nfs/dbraw/zinc/94/81/92/470948192.db2.gz IYOYXPHVISBXAL-UHFFFAOYSA-N 2 0 327.222 2.396 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000650724704 470952046 /nfs/dbraw/zinc/95/20/46/470952046.db2.gz KWCBKAQOGQWNSO-MJGOQNOKSA-N 2 0 330.476 2.044 10 0 EEAERP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1OCC(=O)N(C)C ZINC000650744630 470957117 /nfs/dbraw/zinc/95/71/17/470957117.db2.gz SBFCSVQTQMXEBI-INIZCTEOSA-N 2 0 333.476 2.323 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NCc1nccn1CC(F)(F)F ZINC000650833248 470980359 /nfs/dbraw/zinc/98/03/59/470980359.db2.gz HUJVTXLCTYNSJO-UHFFFAOYSA-N 2 0 349.401 2.223 10 0 EEAERP Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000650868462 470989252 /nfs/dbraw/zinc/98/92/52/470989252.db2.gz ABLKPKZOYUTNBA-QGZVFWFLSA-N 2 0 341.459 2.097 10 0 EEAERP CCC(C)(C)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000644606287 470994543 /nfs/dbraw/zinc/99/45/43/470994543.db2.gz VLLKEWKAGGIICN-IBGZPJMESA-N 2 0 333.520 2.072 10 0 EEAERP C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899171 471010417 /nfs/dbraw/zinc/01/04/17/471010417.db2.gz BPCGVKWNWNERAY-SUMDDJOVSA-N 2 0 347.478 2.337 10 0 EEAERP CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899467 471010533 /nfs/dbraw/zinc/01/05/33/471010533.db2.gz LQXAKWRXCBLOTA-SJLPKXTDSA-N 2 0 333.451 2.248 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc21 ZINC000647901161 471012584 /nfs/dbraw/zinc/01/25/84/471012584.db2.gz JSXXKDPCAUBAMX-ROUUACIJSA-N 2 0 327.472 2.430 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000657355131 471110049 /nfs/dbraw/zinc/11/00/49/471110049.db2.gz CJCPWTYSGFUSSO-CEXWTWQISA-N 2 0 345.487 2.041 10 0 EEAERP CN(C)C(=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657360635 471111772 /nfs/dbraw/zinc/11/17/72/471111772.db2.gz NISSPPJQPQPCAN-UHFFFAOYSA-N 2 0 327.432 2.006 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cn(C3CCC3)nn2)(N2CCCCC2)CC1 ZINC000657376460 471118497 /nfs/dbraw/zinc/11/84/97/471118497.db2.gz GZBIZWGOBNIHLW-UHFFFAOYSA-N 2 0 346.523 2.043 10 0 EEAERP Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657485268 471150625 /nfs/dbraw/zinc/15/06/25/471150625.db2.gz YLJUDKMQYACGOD-KSSFIOAISA-N 2 0 338.415 2.011 10 0 EEAERP CN(C)c1ccncc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535104 471163061 /nfs/dbraw/zinc/16/30/61/471163061.db2.gz DKTNEEVVCSKSLW-UHFFFAOYSA-N 2 0 332.492 2.128 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652119442 471238732 /nfs/dbraw/zinc/23/87/32/471238732.db2.gz DUNKNPVQQUFSBR-QGZVFWFLSA-N 2 0 332.492 2.498 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000652174446 471250297 /nfs/dbraw/zinc/25/02/97/471250297.db2.gz UNWWGWTYPOJCCR-QZTJIDSGSA-N 2 0 330.476 2.121 10 0 EEAERP [NH3+]CC1(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000652241946 471260658 /nfs/dbraw/zinc/26/06/58/471260658.db2.gz IVUCFHRYCXMCAY-QGZVFWFLSA-N 2 0 336.524 2.413 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000652291688 471268295 /nfs/dbraw/zinc/26/82/95/471268295.db2.gz DHWZLFSBVFHMSS-UHFFFAOYSA-N 2 0 340.471 2.467 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000652291648 471268370 /nfs/dbraw/zinc/26/83/70/471268370.db2.gz BEUBYCSQIOVPQG-UHFFFAOYSA-N 2 0 340.471 2.119 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449413 471330130 /nfs/dbraw/zinc/33/01/30/471330130.db2.gz FBFPVSCIJFBZIW-UZLBHIALSA-N 2 0 342.487 2.157 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@]3(O)CCCOC3)C2)s1 ZINC000660495665 471366024 /nfs/dbraw/zinc/36/60/24/471366024.db2.gz ANPTVCUDJJSKIR-AEFFLSMTSA-N 2 0 338.517 2.352 10 0 EEAERP CCN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663452650 471384479 /nfs/dbraw/zinc/38/44/79/471384479.db2.gz LURCDXDOCBUGKI-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000652989041 471442787 /nfs/dbraw/zinc/44/27/87/471442787.db2.gz URHYAIOGAXWXJK-UHFFFAOYSA-N 2 0 333.476 2.185 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663628828 471453303 /nfs/dbraw/zinc/45/33/03/471453303.db2.gz OOVNPXWRYVYROB-JKSUJKDBSA-N 2 0 338.521 2.477 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659033352 471476355 /nfs/dbraw/zinc/47/63/55/471476355.db2.gz WGNNJXPSEYAEBJ-PBHICJAKSA-N 2 0 334.464 2.199 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653116474 471496893 /nfs/dbraw/zinc/49/68/93/471496893.db2.gz IGLDKQYGQYIJEW-RBUKOAKNSA-N 2 0 345.487 2.164 10 0 EEAERP CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663765501 471508621 /nfs/dbraw/zinc/50/86/21/471508621.db2.gz SWTPUFGJXYFWAV-RTBURBONSA-N 2 0 346.519 2.285 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655915655 471536747 /nfs/dbraw/zinc/53/67/47/471536747.db2.gz PFMUYGHTFJQREM-AAEUAGOBSA-N 2 0 346.397 2.305 10 0 EEAERP [NH3+][C@H](CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653266783 471560037 /nfs/dbraw/zinc/56/00/37/471560037.db2.gz FPMAAQOVSNAAOI-MKXGPGLRSA-N 2 0 345.487 2.354 10 0 EEAERP C/C=C\c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000656152742 471609758 /nfs/dbraw/zinc/60/97/58/471609758.db2.gz FATBQLFCJJXUAW-WMRBKDBDSA-N 2 0 348.487 2.398 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659448581 471633792 /nfs/dbraw/zinc/63/37/92/471633792.db2.gz FHLKDEXQXHYBOO-KBAYOESNSA-N 2 0 332.492 2.162 10 0 EEAERP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659525407 471666622 /nfs/dbraw/zinc/66/66/22/471666622.db2.gz FXPQOXRQXISLMF-SJLPKXTDSA-N 2 0 344.503 2.183 10 0 EEAERP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659609507 471698624 /nfs/dbraw/zinc/69/86/24/471698624.db2.gz BDUWEGHFDURLMS-FUHWJXTLSA-N 2 0 344.503 2.277 10 0 EEAERP C[C@H](C(N)=O)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835855 471875478 /nfs/dbraw/zinc/87/54/78/471875478.db2.gz MDWKPEOPHJVPQB-CRAIPNDOSA-N 2 0 329.488 2.483 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654377482 471934755 /nfs/dbraw/zinc/93/47/55/471934755.db2.gz MVCBMOIXSYZAQT-TVFCKZIOSA-N 2 0 338.540 2.384 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000665259428 471983137 /nfs/dbraw/zinc/98/31/37/471983137.db2.gz FTZSUTKIFNJQRU-VKZRIFJHSA-N 2 0 335.467 2.352 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000665289527 471990704 /nfs/dbraw/zinc/99/07/04/471990704.db2.gz QLMDDAFRIGYJLS-OAHLLOKOSA-N 2 0 349.523 2.414 10 0 EEAERP CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000662156787 472013172 /nfs/dbraw/zinc/01/31/72/472013172.db2.gz FBBBIGBFBYRMES-RCCFBDPRSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000662324345 472071433 /nfs/dbraw/zinc/07/14/33/472071433.db2.gz VMUSQHLNOQWRMF-UXHICEINSA-N 2 0 331.504 2.304 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)C1 ZINC000668490432 472144061 /nfs/dbraw/zinc/14/40/61/472144061.db2.gz VNQGKAHCMCVRCM-FQEVSTJZSA-N 2 0 337.467 2.427 10 0 EEAERP CO[C@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000668496281 472147633 /nfs/dbraw/zinc/14/76/33/472147633.db2.gz KXBNVHADWZZWDF-HXUWFJFHSA-N 2 0 348.487 2.135 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)on1 ZINC000662668977 472196810 /nfs/dbraw/zinc/19/68/10/472196810.db2.gz LOYFQRCNGWONCV-UHFFFAOYSA-N 2 0 342.443 2.394 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000668678212 472221736 /nfs/dbraw/zinc/22/17/36/472221736.db2.gz LRWGCTKUMGAQIH-QGZUEGPWSA-N 2 0 336.867 2.291 10 0 EEAERP C[NH2+]CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662759530 472239041 /nfs/dbraw/zinc/23/90/41/472239041.db2.gz SGRJUIGKKNFUEM-LJQANCHMSA-N 2 0 329.488 2.355 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000674056917 485626839 /nfs/dbraw/zinc/62/68/39/485626839.db2.gz GDYYISHATKFZIU-CQSZACIVSA-N 2 0 328.420 2.073 10 0 EEAERP COc1cc(C)cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000683802234 485644337 /nfs/dbraw/zinc/64/43/37/485644337.db2.gz XAIYWEPEOCKIPW-UHFFFAOYSA-N 2 0 336.480 2.269 10 0 EEAERP CCc1nc2ccccc2n1CC(=O)N1CCN(CCCF)CC1 ZINC000627955107 485703200 /nfs/dbraw/zinc/70/32/00/485703200.db2.gz XCUWWFPGMZMANJ-UHFFFAOYSA-N 2 0 332.423 2.103 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](CC2CC2)CC1 ZINC000431725970 485707021 /nfs/dbraw/zinc/70/70/21/485707021.db2.gz OVWJGFBAGQQEOD-UHFFFAOYSA-N 2 0 341.499 2.425 10 0 EEAERP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc2)[nH]1 ZINC000647001694 490719538 /nfs/dbraw/zinc/71/95/38/490719538.db2.gz PAYIPTRUZRUGOP-GJZGRUSLSA-N 2 0 342.447 2.167 10 0 EEAERP COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3CCC[C@H]3[NH3+])CCC[N@@H+]2C)cc1 ZINC000299740141 490738474 /nfs/dbraw/zinc/73/84/74/490738474.db2.gz WFOMZQSMSVUEGU-GDAAHCPNSA-N 2 0 345.487 2.322 10 0 EEAERP COC(=O)c1ccccc1CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000186975010 534288300 /nfs/dbraw/zinc/28/83/00/534288300.db2.gz ICRSJOXVZUQOHF-MRXNPFEDSA-N 2 0 348.487 2.040 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424417977 535755873 /nfs/dbraw/zinc/75/58/73/535755873.db2.gz MYIDPVSTSIYACJ-HZPDHXFCSA-N 2 0 345.491 2.220 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(-n2nc(C)cc2C)cc1 ZINC000422867408 536850986 /nfs/dbraw/zinc/85/09/86/536850986.db2.gz SCUSPDPJGWOVJV-SFHVURJKSA-N 2 0 330.476 2.375 10 0 EEAERP C[NH+](C)CCCNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728445237 576501474 /nfs/dbraw/zinc/50/14/74/576501474.db2.gz HMHROGUNAGBGMA-QGZVFWFLSA-N 2 0 340.581 2.401 10 0 EEAERP COC(=O)c1ccc2c(cnn2CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000768501769 577557048 /nfs/dbraw/zinc/55/70/48/577557048.db2.gz WLFFNQOVFXBWGO-DOTOQJQBSA-N 2 0 342.443 2.197 10 0 EEAERP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000736355522 578198036 /nfs/dbraw/zinc/19/80/36/578198036.db2.gz QCXOUBGGAUBFMN-UHFFFAOYSA-N 2 0 327.428 2.395 10 0 EEAERP Brc1cnn(CC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000926415231 678509930 /nfs/dbraw/zinc/50/99/30/678509930.db2.gz QGBJESZDKZKDGK-KGLIPLIRSA-N 2 0 327.270 2.252 10 0 EEAERP CCN1CC[C@H](NC(=O)C[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000261893134 682066692 /nfs/dbraw/zinc/06/66/92/682066692.db2.gz WXKZVLLLDONXSL-FUEDEBDSSA-N 2 0 327.831 2.468 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c2c1OC(F)(F)O2 ZINC000894541117 682961876 /nfs/dbraw/zinc/96/18/76/682961876.db2.gz OUWVFRXVUFEGAH-FZMZJTMJSA-N 2 0 342.386 2.320 10 0 EEAERP Brc1cnn(CCCC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925652396 684743064 /nfs/dbraw/zinc/74/30/64/684743064.db2.gz DVGLCMGFLMJGML-ZDUSSCGKSA-N 2 0 327.270 2.300 10 0 EEAERP C[C@H]1[C@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC[N@@H+]1C ZINC000925326259 692474321 /nfs/dbraw/zinc/47/43/21/692474321.db2.gz PZABIVKAFCLYSV-PKOBYXMFSA-N 2 0 346.519 2.285 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924668135 693117290 /nfs/dbraw/zinc/11/72/90/693117290.db2.gz OVTMSFIBKPVQJG-GGPKGHCWSA-N 2 0 330.520 2.408 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485541121 1191828786 /nfs/dbraw/zinc/82/87/86/1191828786.db2.gz XRUBWDWNPQAGEO-HNAYVOBHSA-N 2 0 329.488 2.451 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC001266247708 1176022600 /nfs/dbraw/zinc/02/26/00/1176022600.db2.gz TUJYMSHVLSAZIR-GOSISDBHSA-N 2 0 332.492 2.283 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)cc1F)C(=O)Cn1ccnc1 ZINC001670365631 1176468289 /nfs/dbraw/zinc/46/82/89/1176468289.db2.gz XPRPAEUXCAWQQO-UHFFFAOYSA-N 2 0 338.814 2.314 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001266545358 1176804107 /nfs/dbraw/zinc/80/41/07/1176804107.db2.gz MSJJYVCKJZJSOA-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cccnc1C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266765932 1177378839 /nfs/dbraw/zinc/37/88/39/1177378839.db2.gz BOUPHPKREPVZHZ-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C)nc2C)C1 ZINC001266813394 1177473020 /nfs/dbraw/zinc/47/30/20/1177473020.db2.gz PYLPMEOQQPBULE-LJQANCHMSA-N 2 0 346.519 2.368 10 0 EEAERP C[C@H](C(=O)N(C)CC[NH2+]Cc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001266851849 1177555962 /nfs/dbraw/zinc/55/59/62/1177555962.db2.gz FPPLUIQLWAAHLX-OAHLLOKOSA-N 2 0 336.455 2.033 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CCCCCF)C12CC[NH+](CC1)C2 ZINC001266881503 1177696816 /nfs/dbraw/zinc/69/68/16/1177696816.db2.gz WVAXKKYWSIGGIR-INIZCTEOSA-N 2 0 325.472 2.193 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001266885326 1177705103 /nfs/dbraw/zinc/70/51/03/1177705103.db2.gz DPTDSQHFYGTPNM-ZWKOTPCHSA-N 2 0 348.491 2.224 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691306264 1177873463 /nfs/dbraw/zinc/87/34/63/1177873463.db2.gz TVYXMYRHEAMQSJ-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)[NH2+]CCCOC(C)C)ccc2c[nH+]cn21 ZINC001266949445 1177873824 /nfs/dbraw/zinc/87/38/24/1177873824.db2.gz OTFXYEYIVJEJFS-AWEZNQCLSA-N 2 0 332.448 2.166 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001266972664 1177950699 /nfs/dbraw/zinc/95/06/99/1177950699.db2.gz AODVCEXNBZAKGA-UHOSZYNNSA-N 2 0 329.488 2.392 10 0 EEAERP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691389417 1177990816 /nfs/dbraw/zinc/99/08/16/1177990816.db2.gz YIFXLXUPKRLBJY-KRWDZBQOSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCCF ZINC001279578267 1178301750 /nfs/dbraw/zinc/30/17/50/1178301750.db2.gz XKLDSWWDMHEXDD-IXDOHACOSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)c(C)n1 ZINC001480922709 1178438836 /nfs/dbraw/zinc/43/88/36/1178438836.db2.gz DTGTUGUFRJDAAF-RTBURBONSA-N 2 0 344.503 2.263 10 0 EEAERP COCCCC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267185804 1178450087 /nfs/dbraw/zinc/45/00/87/1178450087.db2.gz SRCQZCKEHTUIRD-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2CCCCCF)CC1 ZINC001267278452 1178663181 /nfs/dbraw/zinc/66/31/81/1178663181.db2.gz KLCFVJMAFFCIRU-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP COc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391511 1178957513 /nfs/dbraw/zinc/95/75/13/1178957513.db2.gz KCTVQHMQROQRRU-SFHVURJKSA-N 2 0 347.503 2.160 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCc2ccc(Cl)cc21 ZINC001480946859 1179087844 /nfs/dbraw/zinc/08/78/44/1179087844.db2.gz BXKYXOKHLMZVMC-KRWDZBQOSA-N 2 0 335.879 2.471 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001496196835 1179091965 /nfs/dbraw/zinc/09/19/65/1179091965.db2.gz RHQVKBRBZGOZET-GFCCVEGCSA-N 2 0 326.510 2.038 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481102285 1179742249 /nfs/dbraw/zinc/74/22/49/1179742249.db2.gz KELHJKAITPAZQM-OAHLLOKOSA-N 2 0 348.491 2.050 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481119508 1179796737 /nfs/dbraw/zinc/79/67/37/1179796737.db2.gz WBAKRDSNUULTMO-IRXDYDNUSA-N 2 0 347.478 2.414 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001481231207 1180362733 /nfs/dbraw/zinc/36/27/33/1180362733.db2.gz SLOCLIUBQGZRCE-HNAYVOBHSA-N 2 0 345.487 2.146 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481246889 1180444890 /nfs/dbraw/zinc/44/48/90/1180444890.db2.gz BHPIWVQBOKBAJC-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)s1 ZINC001267969265 1180873517 /nfs/dbraw/zinc/87/35/17/1180873517.db2.gz HRGZETJOVTVEHN-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2cccs2)C1 ZINC001267970045 1180874061 /nfs/dbraw/zinc/87/40/61/1180874061.db2.gz OBTSKVFHYPCBLL-HZPDHXFCSA-N 2 0 335.517 2.213 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481302417 1180963032 /nfs/dbraw/zinc/96/30/32/1180963032.db2.gz LXBPCQQFASDTAK-DOTOQJQBSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccncc1C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001481358105 1181116993 /nfs/dbraw/zinc/11/69/93/1181116993.db2.gz MNEBHGDYIRBZCY-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP O=C(NC1CC(C[NH2+]CC=C(Cl)Cl)C1)C12CCC[NH+]1CCC2 ZINC001282015441 1181341754 /nfs/dbraw/zinc/34/17/54/1181341754.db2.gz HJJGUHPIYZACRO-UHFFFAOYSA-N 2 0 346.302 2.418 10 0 EEAERP Cc1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464527 1181474921 /nfs/dbraw/zinc/47/49/21/1181474921.db2.gz KRVPDLLZMGNMDK-GOSISDBHSA-N 2 0 329.488 2.419 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)Cc2cc(C3CC3)no2)CC1 ZINC001481518520 1181629920 /nfs/dbraw/zinc/62/99/20/1181629920.db2.gz XJUBKVLJGLAJHD-UHFFFAOYSA-N 2 0 348.491 2.174 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C[C@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001481537380 1181676389 /nfs/dbraw/zinc/67/63/89/1181676389.db2.gz FPTFIRWUWYPHJN-BZSNNMDCSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]CCCCC1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268079004 1181688207 /nfs/dbraw/zinc/68/82/07/1181688207.db2.gz NLUNLLMBVUGVAP-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001268162154 1181873989 /nfs/dbraw/zinc/87/39/89/1181873989.db2.gz JFFRPCZFWQHPPY-HUUCEWRRSA-N 2 0 338.521 2.344 10 0 EEAERP COCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001268185934 1181971109 /nfs/dbraw/zinc/97/11/09/1181971109.db2.gz JMLVZSGPNCFEPC-KSSFIOAISA-N 2 0 344.459 2.119 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001268365166 1182338090 /nfs/dbraw/zinc/33/80/90/1182338090.db2.gz CGGJXVGWAKXYFP-HNAYVOBHSA-N 2 0 345.487 2.021 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379813 1182405649 /nfs/dbraw/zinc/40/56/49/1182405649.db2.gz WCMPRTXFIDOYCW-YJBOKZPZSA-N 2 0 335.467 2.337 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001481732222 1182412139 /nfs/dbraw/zinc/41/21/39/1182412139.db2.gz JODVKDDUYDMNGO-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268395609 1182466523 /nfs/dbraw/zinc/46/65/23/1182466523.db2.gz PSEVGBNVWWXUMA-GUYCJALGSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001268411612 1182556146 /nfs/dbraw/zinc/55/61/46/1182556146.db2.gz PFGPTXBAHGGNOY-AWEZNQCLSA-N 2 0 338.521 2.168 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC001268413434 1182562683 /nfs/dbraw/zinc/56/26/83/1182562683.db2.gz FSCUHQCZTFDIBG-KBPBESRZSA-N 2 0 338.521 2.032 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439714 1182614668 /nfs/dbraw/zinc/61/46/68/1182614668.db2.gz SQWKFEVFBRCNHB-KRWDZBQOSA-N 2 0 337.895 2.415 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(C)ccc1F ZINC001481813291 1182728476 /nfs/dbraw/zinc/72/84/76/1182728476.db2.gz YDVADGHAWXVDNR-DJIMGWMZSA-N 2 0 335.467 2.459 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cncs1 ZINC001481854589 1182813533 /nfs/dbraw/zinc/81/35/33/1182813533.db2.gz FFDCKJIEJLHAQC-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(C)ccc1F ZINC001481869119 1182841179 /nfs/dbraw/zinc/84/11/79/1182841179.db2.gz IQFPCKFXPXJLLI-MRXNPFEDSA-N 2 0 333.451 2.214 10 0 EEAERP Cc1ncoc1C[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001481912921 1182936773 /nfs/dbraw/zinc/93/67/73/1182936773.db2.gz KXXDJKJJIYMFOX-GJZGRUSLSA-N 2 0 348.491 2.374 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC001268550311 1183234099 /nfs/dbraw/zinc/23/40/99/1183234099.db2.gz OCUASYYNGWJCMG-ONEGZZNKSA-N 2 0 341.499 2.422 10 0 EEAERP CN(CCC[NH2+]CCCF)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268793219 1183709211 /nfs/dbraw/zinc/70/92/11/1183709211.db2.gz MAWXMRCXYKBCRT-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)CC[NH+](C)C ZINC001268834658 1183751531 /nfs/dbraw/zinc/75/15/31/1183751531.db2.gz BKCIWJUGIQONRA-KRWDZBQOSA-N 2 0 339.430 2.342 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)CCO1)[NH+](CC)CC ZINC001482201061 1183907687 /nfs/dbraw/zinc/90/76/87/1183907687.db2.gz YMUQCBJKVOVDKF-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001269570380 1184399400 /nfs/dbraw/zinc/39/94/00/1184399400.db2.gz KANVMTBPCYIYIV-HQSKLWIPSA-N 2 0 337.508 2.007 10 0 EEAERP C[C@](C[NH2+]CCc1ccccc1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001269652065 1184480675 /nfs/dbraw/zinc/48/06/75/1184480675.db2.gz NXEHNGFMSZFWOZ-HXUWFJFHSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1oncc1C[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269871041 1184682907 /nfs/dbraw/zinc/68/29/07/1184682907.db2.gz KTBLSNZYDUOVHO-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001270164554 1184891627 /nfs/dbraw/zinc/89/16/27/1184891627.db2.gz AGYCIJIIXQQGCP-MAUKXSAKSA-N 2 0 339.499 2.437 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC[C@H](C)F)CC1 ZINC001270287547 1184988572 /nfs/dbraw/zinc/98/85/72/1184988572.db2.gz JMQIPFJHXMDMQH-DOTOQJQBSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001482283450 1185052487 /nfs/dbraw/zinc/05/24/87/1185052487.db2.gz MWWPYZRUYHABFO-YJBOKZPZSA-N 2 0 347.478 2.412 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CN(CC3=CCCCC3)CCO2)CC1 ZINC001270682862 1185308132 /nfs/dbraw/zinc/30/81/32/1185308132.db2.gz PSJPMPHVOPLJAF-LJQANCHMSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001270719479 1185341930 /nfs/dbraw/zinc/34/19/30/1185341930.db2.gz XDSBRNHUIOOUSX-APWZRJJASA-N 2 0 339.499 2.439 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353841 1185489704 /nfs/dbraw/zinc/48/97/04/1185489704.db2.gz LTIHFVSQFFFMAG-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](C[NH2+]Cc1c(F)cccc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365283 1185521920 /nfs/dbraw/zinc/52/19/20/1185521920.db2.gz UPPCHACTDNOHAY-CHWSQXEVSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270921285 1185742360 /nfs/dbraw/zinc/74/23/60/1185742360.db2.gz HUYVBLKEHBYEIH-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001482463342 1185936231 /nfs/dbraw/zinc/93/62/31/1185936231.db2.gz YGBCSEBWXLRFHE-SFHVURJKSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC001271898860 1186593860 /nfs/dbraw/zinc/59/38/60/1186593860.db2.gz YTHJOOOHRCWJLN-USTZCAOPSA-N 2 0 339.499 2.389 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001482839479 1187758242 /nfs/dbraw/zinc/75/82/42/1187758242.db2.gz JWZVAAWSYINGDJ-OAHLLOKOSA-N 2 0 335.467 2.337 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001482848036 1187766880 /nfs/dbraw/zinc/76/68/80/1187766880.db2.gz WGYLWWFUJNOFBI-NSHDSACASA-N 2 0 327.388 2.158 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001482898334 1187810265 /nfs/dbraw/zinc/81/02/65/1187810265.db2.gz CJTLJXIWXJRSKD-MSOLQXFVSA-N 2 0 343.515 2.372 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482992713 1187970664 /nfs/dbraw/zinc/97/06/64/1187970664.db2.gz YIEQNTOTBWAFJY-XOIGSVRCSA-N 2 0 327.472 2.420 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)CCc1c[nH]cn1 ZINC001483017883 1188005160 /nfs/dbraw/zinc/00/51/60/1188005160.db2.gz RPGRHFYGGRAYRI-NSCUHMNNSA-N 2 0 330.407 2.252 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21 ZINC001483026308 1188032202 /nfs/dbraw/zinc/03/22/02/1188032202.db2.gz ILMUVDNAIWKPSR-ZYHOBAKYSA-N 2 0 327.472 2.420 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483044795 1188242206 /nfs/dbraw/zinc/24/22/06/1188242206.db2.gz RXFDJIOMZZPNLX-ZMUQKWFASA-N 2 0 326.444 2.024 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)ns1 ZINC001483098755 1188474966 /nfs/dbraw/zinc/47/49/66/1188474966.db2.gz SUZBEMDAGRZTIN-JFDDCEBESA-N 2 0 336.505 2.088 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483129034 1188610015 /nfs/dbraw/zinc/61/00/15/1188610015.db2.gz OWMCGFXYOJDWCP-DYVFJYSZSA-N 2 0 335.879 2.276 10 0 EEAERP C[C@H](C[NH2+]CCCC1CCOCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156146 1188960933 /nfs/dbraw/zinc/96/09/33/1188960933.db2.gz JVHMZTJUDWVCOD-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001485854834 1193617347 /nfs/dbraw/zinc/61/73/47/1193617347.db2.gz HSKXBOSQWNEIOG-GUYCJALGSA-N 2 0 339.430 2.038 10 0 EEAERP C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001409348141 1189559357 /nfs/dbraw/zinc/55/93/57/1189559357.db2.gz GJEXQIFBHAZARC-CABCVRRESA-N 2 0 349.523 2.056 10 0 EEAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409372772 1189595405 /nfs/dbraw/zinc/59/54/05/1189595405.db2.gz NCOZNHPEXCRPPN-QWHCGFSZSA-N 2 0 331.451 2.246 10 0 EEAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409372821 1189595417 /nfs/dbraw/zinc/59/54/17/1189595417.db2.gz NCOZNHPEXCRPPN-STQMWFEESA-N 2 0 331.451 2.246 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1conc1CC ZINC001485881885 1193628115 /nfs/dbraw/zinc/62/81/15/1193628115.db2.gz DPIXDQJBSYOTQS-PBHICJAKSA-N 2 0 336.480 2.048 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001409455064 1189703322 /nfs/dbraw/zinc/70/33/22/1189703322.db2.gz HIZPKAJVHAXLSV-JKSUJKDBSA-N 2 0 347.507 2.077 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001485962154 1193660253 /nfs/dbraw/zinc/66/02/53/1193660253.db2.gz VQMJWXQRUXIBNJ-ZBFHGGJFSA-N 2 0 338.521 2.262 10 0 EEAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483247593 1190275656 /nfs/dbraw/zinc/27/56/56/1190275656.db2.gz PLEHYQNHFHKVKG-XVWMLYKFSA-N 2 0 327.432 2.332 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2cncn2C)cs1 ZINC001483267038 1190292000 /nfs/dbraw/zinc/29/20/00/1190292000.db2.gz BWUBHCDMNUJXDY-NILFDRSVSA-N 2 0 332.473 2.188 10 0 EEAERP C[C@H](C[N@H+](C)Cc1cc2ccccc2o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483411139 1190456986 /nfs/dbraw/zinc/45/69/86/1190456986.db2.gz YVCQXKDLGHESAM-OAHLLOKOSA-N 2 0 341.455 2.465 10 0 EEAERP C[C@@H](C[N@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410887 1190457559 /nfs/dbraw/zinc/45/75/59/1190457559.db2.gz QQCZLFFMCCPIGQ-KSSFIOAISA-N 2 0 345.462 2.345 10 0 EEAERP C[C@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)Cn1ccnc1 ZINC001483426808 1190474327 /nfs/dbraw/zinc/47/43/27/1190474327.db2.gz GSSYAKDQPNWMMA-DKISHCGFSA-N 2 0 326.444 2.423 10 0 EEAERP CN(C)c1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001483486485 1190506221 /nfs/dbraw/zinc/50/62/21/1190506221.db2.gz YVEIQZINHSQWBY-IBGZPJMESA-N 2 0 346.519 2.175 10 0 EEAERP Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C2CC2)co1 ZINC001483569934 1190558936 /nfs/dbraw/zinc/55/89/36/1190558936.db2.gz FNQFERNLOPBJAR-MSOLQXFVSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483599772 1190579772 /nfs/dbraw/zinc/57/97/72/1190579772.db2.gz XACYMYCCKOHXSY-BEFAXECRSA-N 2 0 347.478 2.460 10 0 EEAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001486120250 1193687653 /nfs/dbraw/zinc/68/76/53/1193687653.db2.gz MWILSCRXURKREU-CABCVRRESA-N 2 0 327.432 2.260 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122638 1193688118 /nfs/dbraw/zinc/68/81/18/1193688118.db2.gz SXBAOBZZMWCXPN-DZGCQCFKSA-N 2 0 336.480 2.137 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncs2)[C@@H](CC)C1 ZINC001483626955 1190691627 /nfs/dbraw/zinc/69/16/27/1190691627.db2.gz TZEVLIMSHHQJEW-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001272438777 1190821333 /nfs/dbraw/zinc/82/13/33/1190821333.db2.gz DIENFHPBEVJBGW-ZHALLVOQSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2csc(C)n2)C1 ZINC001272624149 1190936429 /nfs/dbraw/zinc/93/64/29/1190936429.db2.gz HPYSSNFJZAAIQC-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]C[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC001483762992 1190995115 /nfs/dbraw/zinc/99/51/15/1190995115.db2.gz RPBJEUATJBBFAU-ZDUSSCGKSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001483832500 1191069284 /nfs/dbraw/zinc/06/92/84/1191069284.db2.gz JRRANVFRBXXPST-IBGZPJMESA-N 2 0 348.491 2.138 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001483909143 1191120527 /nfs/dbraw/zinc/12/05/27/1191120527.db2.gz QGRGURHHXVGJLS-QFBILLFUSA-N 2 0 347.503 2.020 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cncs1)C1CCCC1 ZINC001484015049 1191156373 /nfs/dbraw/zinc/15/63/73/1191156373.db2.gz VEFMBKIKAKTBNP-MRXNPFEDSA-N 2 0 338.521 2.248 10 0 EEAERP CC[NH+]1CCC(C)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001484142133 1191237263 /nfs/dbraw/zinc/23/72/63/1191237263.db2.gz URHJSHHFGIMGEU-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001484199612 1191270192 /nfs/dbraw/zinc/27/01/92/1191270192.db2.gz ZARQFHHEEJOCNX-GJZGRUSLSA-N 2 0 333.467 2.448 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484525604 1191398623 /nfs/dbraw/zinc/39/86/23/1191398623.db2.gz RNYYYXZZZMBYFF-MJGOQNOKSA-N 2 0 346.519 2.304 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001484617392 1191443641 /nfs/dbraw/zinc/44/36/41/1191443641.db2.gz AQPLXKZWTQCJIR-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]C[C@@H]3CCC(F)(F)C3)CCC2)CC1 ZINC001484650006 1191455367 /nfs/dbraw/zinc/45/53/67/1191455367.db2.gz XZPISAWCPWSBTB-CQSZACIVSA-N 2 0 343.462 2.392 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCOCC2CCC2)CC1)[NH+](C)C ZINC001484722356 1191492283 /nfs/dbraw/zinc/49/22/83/1191492283.db2.gz UXHSXOXBXIPMHC-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC1([NH2+]Cc2cscn2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484814227 1191534054 /nfs/dbraw/zinc/53/40/54/1191534054.db2.gz CHXPUHZFIBORGJ-OAHLLOKOSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001484897686 1191567918 /nfs/dbraw/zinc/56/79/18/1191567918.db2.gz PPTYDMVXBRAJLD-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001484909662 1191571098 /nfs/dbraw/zinc/57/10/98/1191571098.db2.gz ONQGFSDUVLNPMK-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001484910786 1191571324 /nfs/dbraw/zinc/57/13/24/1191571324.db2.gz YIMHYOSACIIYIP-FUHWJXTLSA-N 2 0 347.503 2.280 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001484920435 1191575876 /nfs/dbraw/zinc/57/58/76/1191575876.db2.gz BGYZTWWOCLAHSO-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)o1 ZINC001484942539 1191587458 /nfs/dbraw/zinc/58/74/58/1191587458.db2.gz GHOVNHNDZRBZAH-MRXNPFEDSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)s1 ZINC001484976997 1191596964 /nfs/dbraw/zinc/59/69/64/1191596964.db2.gz OWPUXXAJZSBOAM-SWLSCSKDSA-N 2 0 338.521 2.181 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001485039053 1191627693 /nfs/dbraw/zinc/62/76/93/1191627693.db2.gz YTCCEYYJDCOSLF-PKOBYXMFSA-N 2 0 347.478 2.433 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCOCC)C1 ZINC001485067731 1191635758 /nfs/dbraw/zinc/63/57/58/1191635758.db2.gz TXHNQLVUYDRFCZ-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485155149 1191667895 /nfs/dbraw/zinc/66/78/95/1191667895.db2.gz IQYQGNMIFVIOCR-SJORKVTESA-N 2 0 347.503 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214569 1191696411 /nfs/dbraw/zinc/69/64/11/1191696411.db2.gz GSYXJMRROPRHDJ-HZPDHXFCSA-N 2 0 347.503 2.084 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(Cl)nc1 ZINC001485313591 1191730232 /nfs/dbraw/zinc/73/02/32/1191730232.db2.gz OMNVMKNBRQCHTL-CYBMUJFWSA-N 2 0 338.883 2.156 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001486180909 1193717840 /nfs/dbraw/zinc/71/78/40/1193717840.db2.gz KXADJAGOMDHIGD-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)CCc1nccn1C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC001486472159 1193985984 /nfs/dbraw/zinc/98/59/84/1193985984.db2.gz ABHFGLWJXKGUHS-UHFFFAOYSA-N 2 0 330.476 2.432 10 0 EEAERP Cc1oncc1C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001410188169 1197593527 /nfs/dbraw/zinc/59/35/27/1197593527.db2.gz OWDBYFCABCEYBG-XYJFISCASA-N 2 0 348.491 2.040 10 0 EEAERP COc1cccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001410282389 1197658776 /nfs/dbraw/zinc/65/87/76/1197658776.db2.gz OZAWDVJGERDNEW-IEBWSBKVSA-N 2 0 347.503 2.267 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001410368309 1197759109 /nfs/dbraw/zinc/75/91/09/1197759109.db2.gz AVWCSPQASNFBAY-MAUKXSAKSA-N 2 0 347.478 2.412 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273260372 1197841188 /nfs/dbraw/zinc/84/11/88/1197841188.db2.gz IHVJQFZEFVGDME-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1Cl ZINC001410436734 1197890582 /nfs/dbraw/zinc/89/05/82/1197890582.db2.gz OBKXUMJZSFRYKX-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCOC1 ZINC000872021975 1198028718 /nfs/dbraw/zinc/02/87/18/1198028718.db2.gz UTTCKRZTCHAGBR-ROUUACIJSA-N 2 0 332.492 2.128 10 0 EEAERP COC(=O)c1cnc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156135 1198061931 /nfs/dbraw/zinc/06/19/31/1198061931.db2.gz FFLVUXKKVZWQHY-PBHICJAKSA-N 2 0 346.475 2.383 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001410505791 1198063182 /nfs/dbraw/zinc/06/31/82/1198063182.db2.gz KLMKUJXIFDMWNO-MRXNPFEDSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1)C2 ZINC000872264195 1198118360 /nfs/dbraw/zinc/11/83/60/1198118360.db2.gz PBGXHTHDPUDXLN-BMFZPTHFSA-N 2 0 341.377 2.163 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000865251304 1198141066 /nfs/dbraw/zinc/14/10/66/1198141066.db2.gz TWTSVGMCFLHWJX-UHFFFAOYSA-N 2 0 326.554 2.009 10 0 EEAERP c1c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nnn1C[C@H]1CCOC1 ZINC000865483982 1198241348 /nfs/dbraw/zinc/24/13/48/1198241348.db2.gz BMPCOAQWUQXIAY-LRYGQEGESA-N 2 0 347.507 2.201 10 0 EEAERP COCC[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)NC(=O)OC(C)(C)C ZINC000865597881 1198292363 /nfs/dbraw/zinc/29/23/63/1198292363.db2.gz IGJNBKLSJICIHD-HNNXBMFYSA-N 2 0 348.447 2.354 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C)o1 ZINC001410842329 1198491243 /nfs/dbraw/zinc/49/12/43/1198491243.db2.gz FDCCLORHZDNTBR-CJNGLKHVSA-N 2 0 336.480 2.040 10 0 EEAERP c1c(C[N@H+]2CCCC[C@H]2CN2CCOCC2)sc2c1C[NH2+]CC2 ZINC000873204609 1198529636 /nfs/dbraw/zinc/52/96/36/1198529636.db2.gz HRWPFQXMMLKJOY-INIZCTEOSA-N 2 0 335.517 2.081 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCOC1CCC1)CC2 ZINC001410890454 1198543938 /nfs/dbraw/zinc/54/39/38/1198543938.db2.gz BTMHVISGMQQXAT-MJGOQNOKSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949329 1198616622 /nfs/dbraw/zinc/61/66/22/1198616622.db2.gz FSVPGAAPABIHLF-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001410998035 1198674652 /nfs/dbraw/zinc/67/46/52/1198674652.db2.gz ANZGVMPUSAIBHS-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875616543 1199317581 /nfs/dbraw/zinc/31/75/81/1199317581.db2.gz IUIOJGKAVVUMHG-HZPDHXFCSA-N 2 0 340.556 2.440 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C[NH+](C)C ZINC000870016667 1200408340 /nfs/dbraw/zinc/40/83/40/1200408340.db2.gz TZQXLLCOZQZXDF-VXGBXAGGSA-N 2 0 329.897 2.213 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870017455 1200409950 /nfs/dbraw/zinc/40/99/50/1200409950.db2.gz OJOXKCGCEOCJEC-XCJLJZCSSA-N 2 0 343.515 2.378 10 0 EEAERP C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000878393605 1200442684 /nfs/dbraw/zinc/44/26/84/1200442684.db2.gz ZFHNCOHYVFNIRV-ZBTAVZRMSA-N 2 0 327.472 2.375 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1c1cccs1 ZINC000870892432 1200937000 /nfs/dbraw/zinc/93/70/00/1200937000.db2.gz JTKPHHAHKZQRTR-RIENRQNYSA-N 2 0 333.501 2.375 10 0 EEAERP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710199 1201586649 /nfs/dbraw/zinc/58/66/49/1201586649.db2.gz OSQJBCKZYUOJBG-SRMUXQRQSA-N 2 0 335.835 2.268 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000866712304 1201587113 /nfs/dbraw/zinc/58/71/13/1201587113.db2.gz SNCBKXWNINCXSC-QYHDQYMBSA-N 2 0 347.846 2.194 10 0 EEAERP C[NH+](C)CCCNC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000867980486 1201719251 /nfs/dbraw/zinc/71/92/51/1201719251.db2.gz VFHDCOKGBYHWPG-UHFFFAOYSA-N 2 0 344.503 2.127 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC001274090312 1204366993 /nfs/dbraw/zinc/36/69/93/1204366993.db2.gz ZAKGWYPEPFZDSG-ONEGZZNKSA-N 2 0 340.471 2.414 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274608240 1205095617 /nfs/dbraw/zinc/09/56/17/1205095617.db2.gz DUGBJVHWTAAXAK-VZSQWMKGSA-N 2 0 344.503 2.272 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001274644802 1205112715 /nfs/dbraw/zinc/11/27/15/1205112715.db2.gz RLICCAWSURNBNN-AEFFLSMTSA-N 2 0 349.523 2.218 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274786294 1205164735 /nfs/dbraw/zinc/16/47/35/1205164735.db2.gz LRUJJDSBBMGYLB-MAUKXSAKSA-N 2 0 345.503 2.108 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCF)C2)C1 ZINC001275184530 1205276792 /nfs/dbraw/zinc/27/67/92/1205276792.db2.gz PXUPLEKQCXQGLW-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCn1ccnc1 ZINC001275251332 1205290874 /nfs/dbraw/zinc/29/08/74/1205290874.db2.gz NJDPBMZUMNIVFI-KBPBESRZSA-N 2 0 328.407 2.193 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001411619936 1205457337 /nfs/dbraw/zinc/45/73/37/1205457337.db2.gz SCVBPNPGMOZBFN-QGZVFWFLSA-N 2 0 344.503 2.497 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001275677373 1205479367 /nfs/dbraw/zinc/47/93/67/1205479367.db2.gz YAPKZFBHWCMOHD-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001275977213 1205614480 /nfs/dbraw/zinc/61/44/80/1205614480.db2.gz OBUJKJVUTQDEHP-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001276006558 1205631375 /nfs/dbraw/zinc/63/13/75/1205631375.db2.gz AGZYAIFZRBGUKW-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)sc1C ZINC001276209434 1205834483 /nfs/dbraw/zinc/83/44/83/1205834483.db2.gz VLLZYYYBQPMSNV-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000925239542 1206086312 /nfs/dbraw/zinc/08/63/12/1206086312.db2.gz FUHRPAGBLFLHQN-UHOSZYNNSA-N 2 0 336.524 2.386 10 0 EEAERP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925575200 1206131017 /nfs/dbraw/zinc/13/10/17/1206131017.db2.gz QVZNKEGCMRKENQ-QGZVFWFLSA-N 2 0 329.444 2.066 10 0 EEAERP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925623037 1206136988 /nfs/dbraw/zinc/13/69/88/1206136988.db2.gz OHWMZOMGAVNQGL-WSTZPKSXSA-N 2 0 331.504 2.119 10 0 EEAERP O=C1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CN1Cc1ccccc1 ZINC000925630320 1206137638 /nfs/dbraw/zinc/13/76/38/1206137638.db2.gz RBPNKTGSUFUONX-ROUUACIJSA-N 2 0 327.472 2.299 10 0 EEAERP C[NH+](C)CCCOc1cnccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925669572 1206142038 /nfs/dbraw/zinc/14/20/38/1206142038.db2.gz VSJHMPOYJMSJIS-SFHVURJKSA-N 2 0 332.492 2.176 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CC(C)(C)CO2)CC[NH2+]CC1 ZINC000925773298 1206153257 /nfs/dbraw/zinc/15/32/57/1206153257.db2.gz CJKPYVBLCCGRBC-GJZGRUSLSA-N 2 0 326.481 2.103 10 0 EEAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925801182 1206155332 /nfs/dbraw/zinc/15/53/32/1206155332.db2.gz VFZLGQKKJDVKDD-HNBVOPMISA-N 2 0 331.504 2.111 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1nccn1C ZINC000925809703 1206156345 /nfs/dbraw/zinc/15/63/45/1206156345.db2.gz SXFRMBYZNPVANO-GOSISDBHSA-N 2 0 327.476 2.066 10 0 EEAERP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925814130 1206156929 /nfs/dbraw/zinc/15/69/29/1206156929.db2.gz GPRMHYQQORCAGP-HNNXBMFYSA-N 2 0 327.476 2.254 10 0 EEAERP COc1ccc(OC)c([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925848610 1206160067 /nfs/dbraw/zinc/16/00/67/1206160067.db2.gz JEKNCFLOOHHFJD-MRXNPFEDSA-N 2 0 335.492 2.430 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)c1 ZINC000925848350 1206160204 /nfs/dbraw/zinc/16/02/04/1206160204.db2.gz GDCJAGCXIQCDOT-HOCLYGCPSA-N 2 0 332.444 2.340 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000926326210 1206213887 /nfs/dbraw/zinc/21/38/87/1206213887.db2.gz PMJVRLRTBIRAMX-OALUTQOASA-N 2 0 330.472 2.436 10 0 EEAERP CC1([NH+]2CCC2)CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000927290190 1206251102 /nfs/dbraw/zinc/25/11/02/1206251102.db2.gz MBOMAVPNYNTEKO-TVRKMHQQSA-N 2 0 332.492 2.049 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000928828365 1206424865 /nfs/dbraw/zinc/42/48/65/1206424865.db2.gz RTTZEZLQIKBRJM-SFHVURJKSA-N 2 0 332.492 2.311 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)C3(O)CCC3)C2)s1 ZINC000930373619 1206553375 /nfs/dbraw/zinc/55/33/75/1206553375.db2.gz MOCIXCMMVGILBX-RDJZCZTQSA-N 2 0 338.517 2.086 10 0 EEAERP O[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1(O)CCCC1 ZINC000930456026 1206559590 /nfs/dbraw/zinc/55/95/90/1206559590.db2.gz DBSGLNQFAUVRLO-WOJBJXKFSA-N 2 0 344.499 2.250 10 0 EEAERP C[C@@H](CN1CCOCC1)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001412945568 1216147093 /nfs/dbraw/zinc/14/70/93/1216147093.db2.gz BFFXNIFKJLDIII-TZIWHRDSSA-N 2 0 345.531 2.409 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902789160 1238534295 /nfs/dbraw/zinc/53/42/95/1238534295.db2.gz CWMXWNWTMLDUHK-QWFCFKBJSA-N 2 0 345.531 2.489 10 0 EEAERP C[C@]1([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)COC(=O)N1 ZINC000903560930 1240944835 /nfs/dbraw/zinc/94/48/35/1240944835.db2.gz DONWWUYODAWKSH-PKOBYXMFSA-N 2 0 329.444 2.043 10 0 EEAERP c1cc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729176 1241742951 /nfs/dbraw/zinc/74/29/51/1241742951.db2.gz JYWBEYJAXBHCCT-GJYPPUQNSA-N 2 0 330.428 2.321 10 0 EEAERP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885080 1242316281 /nfs/dbraw/zinc/31/62/81/1242316281.db2.gz DBFPKJDAKXEDRZ-QGZVFWFLSA-N 2 0 330.476 2.377 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2ccc(OC(C)C)cc2)cnn1C ZINC000903922991 1242514627 /nfs/dbraw/zinc/51/46/27/1242514627.db2.gz IYIYMVHORQEWIV-KRWDZBQOSA-N 2 0 330.476 2.423 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CC[C@@H]2CCc3ccccc3N2)cnn1C ZINC000903932470 1242554006 /nfs/dbraw/zinc/55/40/06/1242554006.db2.gz RWJDHHAGFKSCCZ-APWZRJJASA-N 2 0 341.503 2.253 10 0 EEAERP COc1ccccc1C1([NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903932626 1242554679 /nfs/dbraw/zinc/55/46/79/1242554679.db2.gz UKCKKCJYQCDLQX-OAHLLOKOSA-N 2 0 328.460 2.133 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000903937738 1242587170 /nfs/dbraw/zinc/58/71/70/1242587170.db2.gz QMHHOBBTQWJZBU-PXNSSMCTSA-N 2 0 337.471 2.293 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cnn1C ZINC000903947610 1242659793 /nfs/dbraw/zinc/65/97/93/1242659793.db2.gz CCNQNHFHOMZERR-HKUYNNGSSA-N 2 0 348.535 2.375 10 0 EEAERP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903958433 1242727491 /nfs/dbraw/zinc/72/74/91/1242727491.db2.gz ZZLOQUAQDJZGEZ-RYUDHWBXSA-N 2 0 329.366 2.377 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001490957736 1258509174 /nfs/dbraw/zinc/50/91/74/1258509174.db2.gz BEKIADMIAODJHD-SHTZXODSSA-N 2 0 339.430 2.084 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001491062749 1258631902 /nfs/dbraw/zinc/63/19/02/1258631902.db2.gz KFOBWBORSJWKOH-YVSFHVDLSA-N 2 0 325.472 2.380 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491121943 1258707417 /nfs/dbraw/zinc/70/74/17/1258707417.db2.gz CUSNIKKUHITXBZ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001491453907 1259104133 /nfs/dbraw/zinc/10/41/33/1259104133.db2.gz DWMLRGRJCOLOMV-AEFFLSMTSA-N 2 0 333.476 2.033 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273458626 1278449050 /nfs/dbraw/zinc/44/90/50/1278449050.db2.gz RAVPRXIXRLULNR-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000850500757 1277248808 /nfs/dbraw/zinc/24/88/08/1277248808.db2.gz JDDFROIQCRHTQX-XUWVNRHRSA-N 2 0 331.595 2.228 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001488805500 1290204893 /nfs/dbraw/zinc/20/48/93/1290204893.db2.gz SZVOPVXSZMXKHY-GASCZTMLSA-N 2 0 338.521 2.085 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001488960924 1290280705 /nfs/dbraw/zinc/28/07/05/1290280705.db2.gz MGLMYZVTBHMRRD-MELADBBJSA-N 2 0 335.414 2.155 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCc2ccc(OC)cc2)[C@@H]1C ZINC001489299578 1290494499 /nfs/dbraw/zinc/49/44/99/1290494499.db2.gz DKFIXCNQRJLSJR-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP CCOCCC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001490425554 1291337976 /nfs/dbraw/zinc/33/79/76/1291337976.db2.gz WTMRGRJZAIYILL-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC[C@@H]2CCCO2)C1 ZINC001490782964 1291728073 /nfs/dbraw/zinc/72/80/73/1291728073.db2.gz MHADRUPTYFPXED-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CN1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000852885848 1292225420 /nfs/dbraw/zinc/22/54/20/1292225420.db2.gz CZJMSDMYROEOBO-WMZOPIPTSA-N 2 0 335.398 2.136 10 0 EEAERP CN(CCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858253473 1294061812 /nfs/dbraw/zinc/06/18/12/1294061812.db2.gz CAESTECFSTXZGZ-OAHLLOKOSA-N 2 0 343.512 2.332 10 0 EEAERP CCN(C(=O)CC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000861892364 1295584031 /nfs/dbraw/zinc/58/40/31/1295584031.db2.gz HYJGOOQIOZYSDQ-UHFFFAOYSA-N 2 0 329.488 2.378 10 0 EEAERP COCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491168412 1299648973 /nfs/dbraw/zinc/64/89/73/1299648973.db2.gz FMYNLXIQXZQDOC-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001276948556 1300434252 /nfs/dbraw/zinc/43/42/52/1300434252.db2.gz YOQIAPXPOSGVLG-XDQVBPFNSA-N 2 0 348.318 2.149 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC001277335554 1302480726 /nfs/dbraw/zinc/48/07/26/1302480726.db2.gz QYWFWNBNVVEAPT-CJNGLKHVSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356275 1302615321 /nfs/dbraw/zinc/61/53/21/1302615321.db2.gz RDGTWALVTDAGCB-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)CC1 ZINC001277932516 1305159177 /nfs/dbraw/zinc/15/91/77/1305159177.db2.gz HJUQRLFDZKOCAC-GOSISDBHSA-N 2 0 347.478 2.291 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCCCCF)CC1 ZINC001278598267 1317321699 /nfs/dbraw/zinc/32/16/99/1317321699.db2.gz NPUHOSNYVLJDSK-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001278705827 1317804891 /nfs/dbraw/zinc/80/48/91/1317804891.db2.gz ZOQHEYQKVSJPJS-KBPBESRZSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001264705421 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EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326366194 1334077231 /nfs/dbraw/zinc/07/72/31/1334077231.db2.gz ZRXFKVVCYDLSNH-WMZOPIPTSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001326735927 1334151772 /nfs/dbraw/zinc/15/17/72/1334151772.db2.gz ABEVDTCGNSKJOB-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCCOC)CC1 ZINC001328048954 1334384520 /nfs/dbraw/zinc/38/45/20/1334384520.db2.gz AFCYJCVTWZFGKG-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCOC(C)C)[NH+](C)C ZINC001328693294 1334500198 /nfs/dbraw/zinc/50/01/98/1334500198.db2.gz HEBSYTOVUSAHQY-CEXWTWQISA-N 2 0 347.503 2.123 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001329922420 1334740142 /nfs/dbraw/zinc/74/01/42/1334740142.db2.gz XGKNVYDTNGLJEX-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCOCC)CC1(C)C ZINC001330201699 1334801737 /nfs/dbraw/zinc/80/17/37/1334801737.db2.gz FSOOETILOQRJHF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CCCCCF)CC2)C1 ZINC001331054523 1334954427 /nfs/dbraw/zinc/95/44/27/1334954427.db2.gz SKZIGGWKEWHPDS-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CCCF)cc2F)CC1 ZINC001333480974 1336057149 /nfs/dbraw/zinc/05/71/49/1336057149.db2.gz YNWMKMYPOSHJLH-UHFFFAOYSA-N 2 0 339.430 2.233 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+]CCc2ccc(F)cc2)CC1 ZINC001337416723 1336698895 /nfs/dbraw/zinc/69/88/95/1336698895.db2.gz ZTGYOPXEJLNUKJ-UHFFFAOYSA-N 2 0 328.435 2.305 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001480324724 1338000942 /nfs/dbraw/zinc/00/09/42/1338000942.db2.gz QOQVQPPKMXQCCZ-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001663856124 1355043935 /nfs/dbraw/zinc/04/39/35/1355043935.db2.gz QAUZDQOIPMWSBD-LKJUBWIJSA-N 2 0 345.487 2.241 10 0 EEAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668652282 1355980150 /nfs/dbraw/zinc/98/01/50/1355980150.db2.gz KLJLTSAQXGYBGS-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001436330885 1342034940 /nfs/dbraw/zinc/03/49/40/1342034940.db2.gz NOOTTWJVPJUZCD-LSDHHAIUSA-N 2 0 343.462 2.296 10 0 EEAERP CCC1([NH2+]Cc2cc(C)on2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001502497596 1342199030 /nfs/dbraw/zinc/19/90/30/1342199030.db2.gz CWPLTJBSFNLQPX-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001502546004 1342208853 /nfs/dbraw/zinc/20/88/53/1342208853.db2.gz MCSNAABFMDFNJA-OOYWPUHTSA-N 2 0 327.900 2.395 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC/C=C\c2ccccc2)C1 ZINC001506648285 1342302453 /nfs/dbraw/zinc/30/24/53/1342302453.db2.gz DZPAQUCUBGMKLF-CGICMKJESA-N 2 0 329.488 2.478 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001673923684 1356760923 /nfs/dbraw/zinc/76/09/23/1356760923.db2.gz NKWMWKTVOWYCST-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001566796979 1342630752 /nfs/dbraw/zinc/63/07/52/1342630752.db2.gz GIZDLRKDHNPKPU-OTEKMADUSA-N 2 0 339.443 2.474 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962785 1342666308 /nfs/dbraw/zinc/66/63/08/1342666308.db2.gz LUNDPFOMQMJWLF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC001566966679 1342667923 /nfs/dbraw/zinc/66/79/23/1342667923.db2.gz YEFKSZOJWDYCME-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001567260689 1342725598 /nfs/dbraw/zinc/72/55/98/1342725598.db2.gz CNBSYTFMSXENKQ-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001569649756 1342917690 /nfs/dbraw/zinc/91/76/90/1342917690.db2.gz NEAXIEPOBVAZPK-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2)C1 ZINC001569682453 1342923630 /nfs/dbraw/zinc/92/36/30/1342923630.db2.gz XZCXHUGIURNZSJ-FQEVSTJZSA-N 2 0 331.504 2.399 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC001569916290 1342976378 /nfs/dbraw/zinc/97/63/78/1342976378.db2.gz YJZHORNLYQOXOQ-OALUTQOASA-N 2 0 344.503 2.379 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001570446004 1343072010 /nfs/dbraw/zinc/07/20/10/1343072010.db2.gz SEFCCDBCMXZOKU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001571549116 1343234871 /nfs/dbraw/zinc/23/48/71/1343234871.db2.gz XSVFWHLSDAWJCF-MOPGFXCFSA-N 2 0 341.499 2.199 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001571564019 1343238211 /nfs/dbraw/zinc/23/82/11/1343238211.db2.gz VIQKECXHKAZHGT-ZWKOTPCHSA-N 2 0 347.503 2.232 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001676820044 1357212402 /nfs/dbraw/zinc/21/24/02/1357212402.db2.gz GKMQZECDKZOFKW-MJGOQNOKSA-N 2 0 348.491 2.328 10 0 EEAERP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001677028562 1357265370 /nfs/dbraw/zinc/26/53/70/1357265370.db2.gz PSCNNUINBWZSAH-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001677033116 1357266345 /nfs/dbraw/zinc/26/63/45/1357266345.db2.gz SJXOBFXQSCDLDS-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC001677574510 1357360942 /nfs/dbraw/zinc/36/09/42/1357360942.db2.gz KKXYCOQGABOVRK-SFHVURJKSA-N 2 0 348.491 2.126 10 0 EEAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[NH+](C)Cc3ccccc3)C[N@@H+]2C1 ZINC001646935686 1353057369 /nfs/dbraw/zinc/05/73/69/1353057369.db2.gz OGOLTXWJEXHPAN-NEWSRXKRSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001646962858 1353076002 /nfs/dbraw/zinc/07/60/02/1353076002.db2.gz KGJLOXCUVZSCBS-OKZBNKHCSA-N 2 0 336.524 2.090 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC001647112845 1353148108 /nfs/dbraw/zinc/14/81/08/1353148108.db2.gz CKAHGROWJSJHKZ-RDJZCZTQSA-N 2 0 346.475 2.387 10 0 EEAERP Cc1ccnc(N)c1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001647400271 1353262499 /nfs/dbraw/zinc/26/24/99/1353262499.db2.gz DQICCYOLLIXUQP-UHFFFAOYSA-N 2 0 339.487 2.009 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001649358745 1353496137 /nfs/dbraw/zinc/49/61/37/1353496137.db2.gz UQTZQCAIBYIAPV-ZCNNSNEGSA-N 2 0 341.499 2.355 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC=C(Cl)Cl)CCCC2)C1 ZINC001649444787 1353509145 /nfs/dbraw/zinc/50/91/45/1353509145.db2.gz PEMMWMQNOMYJMN-GFCCVEGCSA-N 2 0 334.291 2.276 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001656899036 1354296545 /nfs/dbraw/zinc/29/65/45/1354296545.db2.gz IVXTVLSUUNLKNR-SFHVURJKSA-N 2 0 347.503 2.378 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001656899433 1354296586 /nfs/dbraw/zinc/29/65/86/1354296586.db2.gz ORCAYHQSPMRNSY-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C[C@@H]1CCCCO1 ZINC001660632674 1354505432 /nfs/dbraw/zinc/50/54/32/1354505432.db2.gz UODUPJHURONMNO-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(Cc1ccon1)C1CC1 ZINC001660680815 1354515366 /nfs/dbraw/zinc/51/53/66/1354515366.db2.gz VFDLSVUEXZWKLA-QGZVFWFLSA-N 2 0 334.464 2.018 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001661496066 1354646041 /nfs/dbraw/zinc/64/60/41/1354646041.db2.gz MGBZKBBIMIYNTO-ZDEQEGDKSA-N 2 0 336.307 2.147 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001662388762 1354789888 /nfs/dbraw/zinc/78/98/88/1354789888.db2.gz QEIUVHYIBDSDMC-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001663856122 1355043482 /nfs/dbraw/zinc/04/34/82/1355043482.db2.gz QAUZDQOIPMWSBD-AMGQUURNSA-N 2 0 345.487 2.241 10 0 EEAERP COc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663942412 1355058310 /nfs/dbraw/zinc/05/83/10/1355058310.db2.gz SVYFBCBUQQFRIW-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)sn1 ZINC001664227524 1355117251 /nfs/dbraw/zinc/11/72/51/1355117251.db2.gz QSRUBYPOUMQYGJ-MRXNPFEDSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCNCc1ncc(-c2ccccc2)o1 ZINC001664395145 1355153641 /nfs/dbraw/zinc/15/36/41/1355153641.db2.gz NAGPIXZAGRCLGF-UHFFFAOYSA-N 2 0 344.459 2.230 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001665789521 1355388796 /nfs/dbraw/zinc/38/87/96/1355388796.db2.gz XGDGPDZVCJLUMT-VNHYZAJKSA-N 2 0 338.883 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001666167251 1355473596 /nfs/dbraw/zinc/47/35/96/1355473596.db2.gz GQAYITBEBFUIMQ-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1cnc(C[NH2+]CCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001666256094 1355496786 /nfs/dbraw/zinc/49/67/86/1355496786.db2.gz BKRWUXQYKLDHGM-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCCF)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001667183347 1355667298 /nfs/dbraw/zinc/66/72/98/1355667298.db2.gz OQNRWDTXSHNIDP-SUMWQHHRSA-N 2 0 332.423 2.443 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668113368 1355875515 /nfs/dbraw/zinc/87/55/15/1355875515.db2.gz VSCSHHSOGZDNMW-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CCN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668642075 1355978031 /nfs/dbraw/zinc/97/80/31/1355978031.db2.gz XZEIVAUPDVCNFH-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001669039943 1356074837 /nfs/dbraw/zinc/07/48/37/1356074837.db2.gz RNYLOHOQZZWZHQ-CHYADLBTSA-N 2 0 345.487 2.107 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001669182296 1356118559 /nfs/dbraw/zinc/11/85/59/1356118559.db2.gz BWIYASWXYJEXBX-YPQKKHBXSA-N 2 0 337.414 2.338 10 0 EEAERP CN(C)[C@@H](C(=O)NC/C=C/CNCc1cscn1)c1ccccc1 ZINC001669208763 1356126324 /nfs/dbraw/zinc/12/63/24/1356126324.db2.gz VSSRUWCCUXJPBT-DKRLNXSXSA-N 2 0 344.484 2.208 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001669650309 1356189188 /nfs/dbraw/zinc/18/91/88/1356189188.db2.gz WKMQMVBIBCKCKE-KBPBESRZSA-N 2 0 331.451 2.248 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001672838897 1356597425 /nfs/dbraw/zinc/59/74/25/1356597425.db2.gz GQSKECFWPIQWSN-IEBWSBKVSA-N 2 0 345.487 2.118 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCC)CC1(C)C ZINC001674017474 1356774230 /nfs/dbraw/zinc/77/42/30/1356774230.db2.gz DKHJANTYKNMULW-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674392866 1356826325 /nfs/dbraw/zinc/82/63/25/1356826325.db2.gz DJEOOHHAVVIYHA-QZWWFDLISA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001674392874 1356826552 /nfs/dbraw/zinc/82/65/52/1356826552.db2.gz FJNLUEAPKAPKBH-TWDVFJJTSA-N 2 0 327.900 2.440 10 0 EEAERP COCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001675473174 1356991176 /nfs/dbraw/zinc/99/11/76/1356991176.db2.gz JQUOHBVCRQWGJH-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCF)C1 ZINC001692119806 1404981310 /nfs/dbraw/zinc/98/13/10/1404981310.db2.gz LEEQCTSRSQMDRG-GVDBMIGSSA-N 2 0 327.488 2.295 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001698803021 1405076104 /nfs/dbraw/zinc/07/61/04/1405076104.db2.gz KWXUSEFBVNFJRH-KRWDZBQOSA-N 2 0 339.524 2.306 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2C)C1 ZINC001699131696 1405282923 /nfs/dbraw/zinc/28/29/23/1405282923.db2.gz VCPPRSIYEUKKDD-VQIMIIECSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C\CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001699279342 1405310891 /nfs/dbraw/zinc/31/08/91/1405310891.db2.gz FGKZVAIZVIBRBM-IHWYPQMZSA-N 2 0 341.499 2.428 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699540028 1405378560 /nfs/dbraw/zinc/37/85/60/1405378560.db2.gz YBVUURREPJUCSR-LSDHHAIUSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1ccccc1OCCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001699825182 1405511304 /nfs/dbraw/zinc/51/13/04/1405511304.db2.gz QAQJLZUGHYNVEG-FQEVSTJZSA-N 2 0 347.503 2.296 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001699826500 1405512865 /nfs/dbraw/zinc/51/28/65/1405512865.db2.gz MLXRPSVAVREIGI-MJGOQNOKSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH2+]CCF)Cc2ccccc2)CC[N@@H+]1C ZINC001699984398 1405628171 /nfs/dbraw/zinc/62/81/71/1405628171.db2.gz OGRMLDFPZZQZIU-ZWKOTPCHSA-N 2 0 335.467 2.305 10 0 EEAERP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000906091863 783694651 /nfs/dbraw/zinc/69/46/51/783694651.db2.gz ZLZXYZMKIGCWFJ-OWCLPIDISA-N 2 0 325.403 2.200 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@@H]1[NH+]1CCCC1 ZINC000907349344 784576540 /nfs/dbraw/zinc/57/65/40/784576540.db2.gz FFMKIQXDCPCXNI-LTIDMASMSA-N 2 0 337.533 2.042 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000819185659 785453600 /nfs/dbraw/zinc/45/36/00/785453600.db2.gz PMQRSRVQYWHHIX-JTTJXQCZSA-N 2 0 336.476 2.447 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000819218414 785476088 /nfs/dbraw/zinc/47/60/88/785476088.db2.gz GOOVUCYUHVFFNZ-TZIWHRDSSA-N 2 0 340.467 2.385 10 0 EEAERP [NH3+]Cc1nc2c(s1)CCN(c1ccncc1Br)C2 ZINC000710261057 786978770 /nfs/dbraw/zinc/97/87/70/786978770.db2.gz DHQLNWXIINZMMZ-UHFFFAOYSA-N 2 0 325.235 2.322 10 0 EEAERP Cc1cc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc(C)n1 ZINC000922927820 788358216 /nfs/dbraw/zinc/35/82/16/788358216.db2.gz XQSNKQPHEBBDFM-HOTGVXAUSA-N 2 0 334.489 2.077 10 0 EEAERP C[NH+](C)C1(C(=O)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CC1 ZINC000913085215 788616585 /nfs/dbraw/zinc/61/65/85/788616585.db2.gz NZWIBVGRRUUTLV-BGYRXZFFSA-N 2 0 341.499 2.451 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000923190752 789093703 /nfs/dbraw/zinc/09/37/03/789093703.db2.gz RCGDNFPUOOFIQU-SJORKVTESA-N 2 0 347.507 2.246 10 0 EEAERP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306503 789349457 /nfs/dbraw/zinc/34/94/57/789349457.db2.gz SHFAAOMPEKPCJI-MSOLQXFVSA-N 2 0 346.471 2.055 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H](C)C2)cc1C ZINC000923324381 789383762 /nfs/dbraw/zinc/38/37/62/789383762.db2.gz GJWPPYTVWVNVPK-PKOBYXMFSA-N 2 0 329.488 2.192 10 0 EEAERP COc1ccccc1COC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923374741 789457290 /nfs/dbraw/zinc/45/72/90/789457290.db2.gz ZBDSSOOALRCEHG-SFHVURJKSA-N 2 0 346.471 2.055 10 0 EEAERP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385558 789480442 /nfs/dbraw/zinc/48/04/42/789480442.db2.gz ALHFQTOLYXAVDS-AEFFLSMTSA-N 2 0 336.451 2.277 10 0 EEAERP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3C[C@@H]3CC4(C[NH2+]C4)CO3)O2)cc1 ZINC000923393627 789487212 /nfs/dbraw/zinc/48/72/12/789487212.db2.gz VBIINSZRJJYLEX-VJANTYMQSA-N 2 0 328.456 2.360 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000923400909 789501232 /nfs/dbraw/zinc/50/12/32/789501232.db2.gz ZXJMIYWPERLHBE-SWWINACZSA-N 2 0 333.476 2.070 10 0 EEAERP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455346 789571952 /nfs/dbraw/zinc/57/19/52/789571952.db2.gz LEVUVPRGKWVRHA-CVEARBPZSA-N 2 0 331.460 2.152 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923502953 789668615 /nfs/dbraw/zinc/66/86/15/789668615.db2.gz FIYABTUBYIUTAN-STQMWFEESA-N 2 0 341.858 2.354 10 0 EEAERP C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713427455 794596959 /nfs/dbraw/zinc/59/69/59/794596959.db2.gz YHAQJMKVJSMHDE-SEEKVXKWSA-N 2 0 327.472 2.283 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000913948681 794642729 /nfs/dbraw/zinc/64/27/29/794642729.db2.gz PIFCYQQEULJGEE-MAUKXSAKSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc(Br)c[nH]2)C[C@@H](C)O1 ZINC000921761768 795789365 /nfs/dbraw/zinc/78/93/65/795789365.db2.gz YNLCOOYBUFSSGX-VXGBXAGGSA-N 2 0 345.285 2.151 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677345 796406043 /nfs/dbraw/zinc/40/60/43/796406043.db2.gz DVUSJFNUKQSYSD-KSZLIROESA-N 2 0 329.488 2.401 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccnc1 ZINC000916978869 798008141 /nfs/dbraw/zinc/00/81/41/798008141.db2.gz GYXIMRFDWJXBKO-GOSISDBHSA-N 2 0 347.507 2.248 10 0 EEAERP C[NH+](C)C1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000921961128 798420532 /nfs/dbraw/zinc/42/05/32/798420532.db2.gz NDTLAHBGORJZCS-SFHVURJKSA-N 2 0 342.487 2.394 10 0 EEAERP O=c1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc[nH]1 ZINC000922057044 798784817 /nfs/dbraw/zinc/78/48/17/798784817.db2.gz DWTCDPVGBHDURF-GOSISDBHSA-N 2 0 327.428 2.168 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@H]1CCC(F)(F)C1 ZINC001566465930 1125625369 /nfs/dbraw/zinc/62/53/69/1125625369.db2.gz JSKPEHVLABHAAI-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001566533070 1125702666 /nfs/dbraw/zinc/70/26/66/1125702666.db2.gz KMESKEMYNFDNNS-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001566534710 1125704666 /nfs/dbraw/zinc/70/46/66/1125704666.db2.gz VXEVVKKAYVHEAY-AEFFLSMTSA-N 2 0 349.523 2.218 10 0 EEAERP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001436853806 1088498016 /nfs/dbraw/zinc/49/80/16/1088498016.db2.gz KFJFJHUFUJUOES-NXOAAHMSSA-N 2 0 327.488 2.388 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC001436934714 1088608903 /nfs/dbraw/zinc/60/89/03/1088608903.db2.gz FVJALMDIMGCQRI-QBUWPKIASA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[NH+]1CCCCC1 ZINC001436978094 1088675737 /nfs/dbraw/zinc/67/57/37/1088675737.db2.gz NTWNVVUYCCMBES-CEXWTWQISA-N 2 0 344.503 2.329 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001436980190 1088681543 /nfs/dbraw/zinc/68/15/43/1088681543.db2.gz VOOFLOFBILEEJK-GASCZTMLSA-N 2 0 336.480 2.013 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCOCC1 ZINC001437211862 1089288451 /nfs/dbraw/zinc/28/84/51/1089288451.db2.gz FTWQEUASEBBJKF-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001437308991 1089466177 /nfs/dbraw/zinc/46/61/77/1089466177.db2.gz ZZVIYMMYFFCECT-HUUCEWRRSA-N 2 0 345.422 2.067 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001437314842 1089474166 /nfs/dbraw/zinc/47/41/66/1089474166.db2.gz UFILGQIJDIWIQS-CABCVRRESA-N 2 0 343.462 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2cc(F)ccc2C)CC[N@@H+]1C ZINC001437463125 1089781550 /nfs/dbraw/zinc/78/15/50/1089781550.db2.gz OYEAOXKXBFLAQB-ZWKOTPCHSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437919099 1090505607 /nfs/dbraw/zinc/50/56/07/1090505607.db2.gz PTILYBCAVAMJSX-SJLPKXTDSA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001437990499 1090586689 /nfs/dbraw/zinc/58/66/89/1090586689.db2.gz JQWWRNYBPIRPFF-QGZVFWFLSA-N 2 0 342.487 2.400 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001438367554 1090843519 /nfs/dbraw/zinc/84/35/19/1090843519.db2.gz NAAIASQPXSGWNA-HOTGVXAUSA-N 2 0 329.444 2.369 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CCOCC1 ZINC001438378742 1090861115 /nfs/dbraw/zinc/86/11/15/1090861115.db2.gz RVXDOSYYVGIAQS-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cccnc1C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001438404063 1090890532 /nfs/dbraw/zinc/89/05/32/1090890532.db2.gz ORSCEGXXMBRKHH-SFHVURJKSA-N 2 0 344.503 2.393 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001438440880 1090943088 /nfs/dbraw/zinc/94/30/88/1090943088.db2.gz LYTCSDYRGIHTMK-DRRXZNNHSA-N 2 0 327.488 2.482 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001438714266 1091233896 /nfs/dbraw/zinc/23/38/96/1091233896.db2.gz MXOVOSIDPVVJAI-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCn2cncc2C1 ZINC001438901255 1091559058 /nfs/dbraw/zinc/55/90/58/1091559058.db2.gz ZFDIFIADMHJXHQ-MRXNPFEDSA-N 2 0 332.492 2.272 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439179755 1091826390 /nfs/dbraw/zinc/82/63/90/1091826390.db2.gz RCKWJHVTSWVOHI-DGCLKSJQSA-N 2 0 327.831 2.025 10 0 EEAERP Cc1ccc(C)c(OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001439308935 1091978772 /nfs/dbraw/zinc/97/87/72/1091978772.db2.gz FGJWMLSPWZHVHN-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001439365611 1092090812 /nfs/dbraw/zinc/09/08/12/1092090812.db2.gz HHQGIZADFQARSS-ZOBUZTSGSA-N 2 0 335.467 2.493 10 0 EEAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCOC1CCC1 ZINC001439378112 1092120674 /nfs/dbraw/zinc/12/06/74/1092120674.db2.gz IDIRGKSCKVOKRB-FUHWJXTLSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1C ZINC001439496830 1092327955 /nfs/dbraw/zinc/32/79/55/1092327955.db2.gz PRGAKOJQRAFZQS-OALUTQOASA-N 2 0 329.488 2.240 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1ccccc1F ZINC001446250199 1092374369 /nfs/dbraw/zinc/37/43/69/1092374369.db2.gz PKVFCWMFLFGXRV-CABCVRRESA-N 2 0 333.451 2.467 10 0 EEAERP COCC[N@H+](C/C=C\Cl)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001446310197 1092492455 /nfs/dbraw/zinc/49/24/55/1092492455.db2.gz YLJBLLXBBISDQI-YVMONPNESA-N 2 0 345.915 2.019 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001439718836 1092680942 /nfs/dbraw/zinc/68/09/42/1092680942.db2.gz QZFQGKKZQLFINZ-FQEVSTJZSA-N 2 0 344.503 2.155 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001439811420 1092780392 /nfs/dbraw/zinc/78/03/92/1092780392.db2.gz ILBILVAUGXWQGZ-MOPGFXCFSA-N 2 0 344.503 2.106 10 0 EEAERP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c(C)o1 ZINC001439888544 1092944637 /nfs/dbraw/zinc/94/46/37/1092944637.db2.gz KPIUPCPRWJBJNJ-IBGZPJMESA-N 2 0 348.491 2.104 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccn1)C2)C1CCC1 ZINC001440096958 1093161785 /nfs/dbraw/zinc/16/17/85/1093161785.db2.gz GSIGHCZDWMDQGF-IEZWGBDMSA-N 2 0 342.487 2.035 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001440133608 1093198918 /nfs/dbraw/zinc/19/89/18/1093198918.db2.gz GDCVZUAOZLIWNX-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001440150468 1093210452 /nfs/dbraw/zinc/21/04/52/1093210452.db2.gz OPDZEBPPLPDJTP-YVSFHVDLSA-N 2 0 327.488 2.245 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001440269008 1093380907 /nfs/dbraw/zinc/38/09/07/1093380907.db2.gz VFDKMJWLUIELSL-MOPGFXCFSA-N 2 0 329.488 2.370 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C ZINC001448393344 1093391338 /nfs/dbraw/zinc/39/13/38/1093391338.db2.gz VCBWZYRFXYYEFY-AWEZNQCLSA-N 2 0 331.451 2.200 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)C[NH+](C[C@H](C)CC)CCO2 ZINC001448399414 1093402488 /nfs/dbraw/zinc/40/24/88/1093402488.db2.gz WDDFGQZKLFSXMF-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448602522 1093666747 /nfs/dbraw/zinc/66/67/47/1093666747.db2.gz IPFAKFFCCSWOQU-APWZRJJASA-N 2 0 344.503 2.058 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)ccc1C ZINC001440511602 1093758075 /nfs/dbraw/zinc/75/80/75/1093758075.db2.gz SYBRJYNRTYWLSC-AEFFLSMTSA-N 2 0 347.503 2.423 10 0 EEAERP CCC1([NH2+]Cc2nccs2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001440528527 1093783840 /nfs/dbraw/zinc/78/38/40/1093783840.db2.gz KDSUEDPHAPTQKV-CQSZACIVSA-N 2 0 336.505 2.098 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2Cc3ccccc3C[NH+]2CC2CC2)C1 ZINC001440533684 1093796912 /nfs/dbraw/zinc/79/69/12/1093796912.db2.gz GIDRTYIKZLUJDX-FXAWDEMLSA-N 2 0 341.499 2.281 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441127887 1094452827 /nfs/dbraw/zinc/45/28/27/1094452827.db2.gz HJXNRAWBHPNWAZ-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001441170777 1094524231 /nfs/dbraw/zinc/52/42/31/1094524231.db2.gz YHKLAEMKTWIFIK-UHFFFAOYSA-N 2 0 344.503 2.380 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441203882 1094565563 /nfs/dbraw/zinc/56/55/63/1094565563.db2.gz JMJZNGBHKBGFBR-IAGOWNOFSA-N 2 0 329.488 2.273 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]Cc2conc2C)C2CC2)C1 ZINC001441246702 1094636676 /nfs/dbraw/zinc/63/66/76/1094636676.db2.gz LPMAHJJBELMQSH-WMZOPIPTSA-N 2 0 348.491 2.089 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001441296747 1094735781 /nfs/dbraw/zinc/73/57/81/1094735781.db2.gz QPFHLXLYVSBEII-ZIAGYGMSSA-N 2 0 348.318 2.428 10 0 EEAERP CC[C@H](C(=O)N1CCC([N@H+](C)C[C@H]2CCOC2)CC1)[NH+](CC)CC ZINC001441389850 1094946025 /nfs/dbraw/zinc/94/60/25/1094946025.db2.gz VFQMYNLZFDFXBU-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441447581 1095082088 /nfs/dbraw/zinc/08/20/88/1095082088.db2.gz YLECDJGVVCBNKK-BQFCYCMXSA-N 2 0 348.491 2.230 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441536172 1095248818 /nfs/dbraw/zinc/24/88/18/1095248818.db2.gz HXYFDADUOIJSLK-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001441580662 1095383397 /nfs/dbraw/zinc/38/33/97/1095383397.db2.gz FUIHZFMNAVRJTA-ZDUSSCGKSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001441865958 1095972525 /nfs/dbraw/zinc/97/25/25/1095972525.db2.gz DHVQCQVUJMFSRB-AEFFLSMTSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001441949299 1096150329 /nfs/dbraw/zinc/15/03/29/1096150329.db2.gz KZMUHZAXZZAUBK-ZDUSSCGKSA-N 2 0 326.510 2.024 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001442189313 1096461550 /nfs/dbraw/zinc/46/15/50/1096461550.db2.gz KFUHBDPHDDRYSY-CABCVRRESA-N 2 0 348.491 2.022 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](C[C@H]3CCCCO3)CC2)CC1 ZINC001442270262 1096575693 /nfs/dbraw/zinc/57/56/93/1096575693.db2.gz VSSNQGTUUZGAQP-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCc2ccc(Cl)cc21 ZINC001442382476 1096705247 /nfs/dbraw/zinc/70/52/47/1096705247.db2.gz UDZIVRFLNZTQPK-DLBZAZTESA-N 2 0 335.879 2.470 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC1(F)F ZINC001442483999 1096818798 /nfs/dbraw/zinc/81/87/98/1096818798.db2.gz CZWCZZRVVKBZDT-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)Oc1ccccc1CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442576075 1096940348 /nfs/dbraw/zinc/94/03/48/1096940348.db2.gz PYHWZIAGSPJNAO-QGZVFWFLSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(F)c2)C1 ZINC001442826837 1097216940 /nfs/dbraw/zinc/21/69/40/1097216940.db2.gz XOLWPGTZZNKNOM-YJBOKZPZSA-N 2 0 333.451 2.248 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001443391049 1097903012 /nfs/dbraw/zinc/90/30/12/1097903012.db2.gz VAWWFMSZYBLEEA-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)cs1 ZINC001444144056 1098683910 /nfs/dbraw/zinc/68/39/10/1098683910.db2.gz UGQHXAPZEMEXBR-QGZVFWFLSA-N 2 0 338.521 2.166 10 0 EEAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001479693492 1098760123 /nfs/dbraw/zinc/76/01/23/1098760123.db2.gz ZOBGDBRWNXPHPD-GOSISDBHSA-N 2 0 349.523 2.219 10 0 EEAERP CC(C)(C(=O)NCCC1CC[NH+](CCCF)CC1)[NH+]1CCCC1 ZINC001444218245 1098779104 /nfs/dbraw/zinc/77/91/04/1098779104.db2.gz MZGZMEMBKJCCKY-UHFFFAOYSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)on1 ZINC001479808764 1099058118 /nfs/dbraw/zinc/05/81/18/1099058118.db2.gz OBPIIWKYFXNUMM-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C[C@H]1CCOC1 ZINC001479855645 1099157401 /nfs/dbraw/zinc/15/74/01/1099157401.db2.gz CCVITVVSRRXSPX-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001479903259 1099287689 /nfs/dbraw/zinc/28/76/89/1099287689.db2.gz NVNRWLSDEXCVRN-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2nccs2)C1 ZINC001444669426 1099509927 /nfs/dbraw/zinc/50/99/27/1099509927.db2.gz HBAPYUVMXDIPJV-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001480030917 1099520268 /nfs/dbraw/zinc/52/02/68/1099520268.db2.gz NEGOUHYRYSDUCQ-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@@H]1CCOC1)C1CCCCC1 ZINC001444785332 1099693377 /nfs/dbraw/zinc/69/33/77/1099693377.db2.gz KMRKTPHPMGKOGR-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCc3cccs3)C2)C1 ZINC001480263240 1099948439 /nfs/dbraw/zinc/94/84/39/1099948439.db2.gz MAQQCXFSEIQHDC-IRXDYDNUSA-N 2 0 349.544 2.461 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001480296529 1100011776 /nfs/dbraw/zinc/01/17/76/1100011776.db2.gz BXTSGNAYHFEVOV-LERPRCHQSA-N 2 0 327.900 2.299 10 0 EEAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001480331212 1100087050 /nfs/dbraw/zinc/08/70/50/1100087050.db2.gz KVUBYSWCLXFVMB-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cnc(CN2CCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001480331252 1100088422 /nfs/dbraw/zinc/08/84/22/1100088422.db2.gz LEZIACSMFKUFFW-HNNXBMFYSA-N 2 0 338.521 2.262 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001480471445 1100279145 /nfs/dbraw/zinc/27/91/45/1100279145.db2.gz GDJCWAOLECQQNR-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001480523427 1100353632 /nfs/dbraw/zinc/35/36/32/1100353632.db2.gz YDSWGCLFPNNDID-DLBZAZTESA-N 2 0 332.492 2.106 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001480558648 1100399769 /nfs/dbraw/zinc/39/97/69/1100399769.db2.gz DHCPFTVXNVRVCR-ZDUSSCGKSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cc(C)ccc2F)CC[N@@H+]1C ZINC001445361027 1100597095 /nfs/dbraw/zinc/59/70/95/1100597095.db2.gz FNCAQHVXUHJFNQ-UWWQBHOKSA-N 2 0 335.467 2.459 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1conc1C ZINC001495148201 1100820220 /nfs/dbraw/zinc/82/02/20/1100820220.db2.gz ZDOGAOWCBSIAFJ-DLBZAZTESA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2csc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001446443665 1100864817 /nfs/dbraw/zinc/86/48/17/1100864817.db2.gz NHSBMNUJQGPJOH-NWDGAFQWSA-N 2 0 344.912 2.217 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001496287364 1100870301 /nfs/dbraw/zinc/87/03/01/1100870301.db2.gz HCZWELRCQUXVFT-ZBFHGGJFSA-N 2 0 345.478 2.494 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496296702 1100881947 /nfs/dbraw/zinc/88/19/47/1100881947.db2.gz RDSFLJDBHWUXQE-GJZGRUSLSA-N 2 0 331.451 2.104 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001495392829 1101113044 /nfs/dbraw/zinc/11/30/44/1101113044.db2.gz ICOMNUQKEDDOIH-QGZVFWFLSA-N 2 0 327.488 2.440 10 0 EEAERP CC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[NH+](C/C=C\Cl)CC1 ZINC001446630556 1101139504 /nfs/dbraw/zinc/13/95/04/1101139504.db2.gz UQWSINHJPDUZNY-CGGYKVPPSA-N 2 0 339.911 2.299 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001496562039 1101163314 /nfs/dbraw/zinc/16/33/14/1101163314.db2.gz ONQYCRYWXZGLHN-ZIAGYGMSSA-N 2 0 348.318 2.378 10 0 EEAERP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446717190 1101284991 /nfs/dbraw/zinc/28/49/91/1101284991.db2.gz JNHNGQWDPWRJHR-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001446974191 1101686587 /nfs/dbraw/zinc/68/65/87/1101686587.db2.gz QHCSGDBBNPHWQN-WBVHZDCISA-N 2 0 335.467 2.352 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](Cc1cncc(C)c1)CC2 ZINC001447098361 1101987873 /nfs/dbraw/zinc/98/78/73/1101987873.db2.gz FDWWZUGJBOJUQJ-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1OC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497152310 1102037271 /nfs/dbraw/zinc/03/72/71/1102037271.db2.gz ASNGPKQFQBMYOY-MAUKXSAKSA-N 2 0 345.487 2.306 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001497242084 1102182860 /nfs/dbraw/zinc/18/28/60/1102182860.db2.gz UNNYVYLKFAWZCG-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)c1F)NC(=O)CC[NH+](C)C ZINC001497264767 1102219126 /nfs/dbraw/zinc/21/91/26/1102219126.db2.gz SNVNZLAWYHYHIH-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001497273819 1102234734 /nfs/dbraw/zinc/23/47/34/1102234734.db2.gz AHKKAXSIPQJMLF-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC2)o1 ZINC001447248718 1102292964 /nfs/dbraw/zinc/29/29/64/1102292964.db2.gz CZLPLAMFKKNYHF-QGZVFWFLSA-N 2 0 348.491 2.232 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC001447295709 1102387158 /nfs/dbraw/zinc/38/71/58/1102387158.db2.gz IHMMCFJRKZWNAW-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001447303481 1102410393 /nfs/dbraw/zinc/41/03/93/1102410393.db2.gz VROPWOGANBOQFB-QGZVFWFLSA-N 2 0 333.476 2.118 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)CCc1c[nH]cn1 ZINC001497405638 1102439942 /nfs/dbraw/zinc/43/99/42/1102439942.db2.gz ZOBXGSCPWUWDKS-UHFFFAOYSA-N 2 0 335.839 2.029 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001497487265 1102566684 /nfs/dbraw/zinc/56/66/84/1102566684.db2.gz WLQHRCXCSJWKHH-MRXNPFEDSA-N 2 0 327.419 2.243 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001497585007 1102701282 /nfs/dbraw/zinc/70/12/82/1102701282.db2.gz FAURPLUPSVYYNY-JEVUSQKCSA-N 2 0 327.472 2.351 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001447647678 1103047128 /nfs/dbraw/zinc/04/71/28/1103047128.db2.gz VAJBYBIGCPPJNS-DZGCQCFKSA-N 2 0 334.464 2.021 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817252 1103143638 /nfs/dbraw/zinc/14/36/38/1103143638.db2.gz BRWQVPWIUGKQPQ-IIDMSEBBSA-N 2 0 340.471 2.169 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C)C1CCC1 ZINC001497842985 1103180619 /nfs/dbraw/zinc/18/06/19/1103180619.db2.gz ZLYZUEMPCAMQIQ-FZKQIMNGSA-N 2 0 344.459 2.166 10 0 EEAERP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001447765793 1103264035 /nfs/dbraw/zinc/26/40/35/1103264035.db2.gz DTCZDYBLJWHWJP-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001494078557 1103485146 /nfs/dbraw/zinc/48/51/46/1103485146.db2.gz KRQNIYFZTAAXGG-INIZCTEOSA-N 2 0 333.451 2.250 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001447895053 1103538051 /nfs/dbraw/zinc/53/80/51/1103538051.db2.gz GENBJGQYODEGFX-LSDHHAIUSA-N 2 0 334.508 2.448 10 0 EEAERP CO[C@H](C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001448073255 1103941547 /nfs/dbraw/zinc/94/15/47/1103941547.db2.gz ZKICRZZIVGKTCJ-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)C[NH2+]CC1(NC(=O)c2cnn(CC[NH+](C)C)c2)CCCCC1 ZINC001448229931 1104217933 /nfs/dbraw/zinc/21/79/33/1104217933.db2.gz PQDAPFZBEQEYFR-UHFFFAOYSA-N 2 0 349.523 2.123 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494770617 1104352904 /nfs/dbraw/zinc/35/29/04/1104352904.db2.gz MJNRAFLZKSJNJM-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc2ccccc2o1 ZINC001494982032 1104625515 /nfs/dbraw/zinc/62/55/15/1104625515.db2.gz AHGLYYYDNOJMRR-QLFBSQMISA-N 2 0 344.459 2.152 10 0 EEAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncc(F)c1 ZINC001494998644 1104640223 /nfs/dbraw/zinc/64/02/23/1104640223.db2.gz FXQXQYSEDYQPKU-IRXDYDNUSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001495068394 1104707139 /nfs/dbraw/zinc/70/71/39/1104707139.db2.gz CHJKLBOJZGWWBB-IRXDYDNUSA-N 2 0 332.492 2.331 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccns1 ZINC001495069249 1104709841 /nfs/dbraw/zinc/70/98/41/1104709841.db2.gz SVNPRVXQCZJDFJ-GOEBONIOSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1cccc(Cl)c1C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498159785 1107002208 /nfs/dbraw/zinc/00/22/08/1107002208.db2.gz CLGBEZDDBLUNFX-AWEZNQCLSA-N 2 0 335.879 2.339 10 0 EEAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Cl ZINC001480790439 1107122480 /nfs/dbraw/zinc/12/24/80/1107122480.db2.gz OXUUTBMDECMCPZ-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC001480827460 1107209290 /nfs/dbraw/zinc/20/92/90/1107209290.db2.gz BHWLLZZVOYOXFY-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1nc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)co1 ZINC001480828825 1107211399 /nfs/dbraw/zinc/21/13/99/1107211399.db2.gz YGBNBWLNOGAXDL-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001498286658 1107217559 /nfs/dbraw/zinc/21/75/59/1107217559.db2.gz BNRGWDKIVARKQD-VHDGCEQUSA-N 2 0 331.451 2.199 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1cccnc1 ZINC001493111084 1107516254 /nfs/dbraw/zinc/51/62/54/1107516254.db2.gz NTESSFRVOHSWSZ-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cncs1)[NH+]1CCCC1 ZINC001498457720 1107567405 /nfs/dbraw/zinc/56/74/05/1107567405.db2.gz SQLHWWKAZYIVCK-HOCLYGCPSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001498490599 1107626182 /nfs/dbraw/zinc/62/61/82/1107626182.db2.gz OLYBFSMSTWIWPI-WBVHZDCISA-N 2 0 336.480 2.008 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498549031 1107702082 /nfs/dbraw/zinc/70/20/82/1107702082.db2.gz BIEAZPLBOAIMAP-LJQANCHMSA-N 2 0 329.488 2.009 10 0 EEAERP Cc1cccc(C[NH2+]C[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001498859435 1108233799 /nfs/dbraw/zinc/23/37/99/1108233799.db2.gz PQLYMVQYBPEIDB-SFHVURJKSA-N 2 0 327.472 2.075 10 0 EEAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001493758293 1108632552 /nfs/dbraw/zinc/63/25/52/1108632552.db2.gz FDFCNQMCKVQNIO-UHFFFAOYSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001457104709 1109461068 /nfs/dbraw/zinc/46/10/68/1109461068.db2.gz WOORGYPJFMEHRY-MOPGFXCFSA-N 2 0 344.503 2.478 10 0 EEAERP CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001457415459 1109591167 /nfs/dbraw/zinc/59/11/67/1109591167.db2.gz QODOTPTVWZWSHJ-IBGZPJMESA-N 2 0 329.488 2.451 10 0 EEAERP COc1cccc2c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)coc21 ZINC001472513986 1110557971 /nfs/dbraw/zinc/55/79/71/1110557971.db2.gz OYEYNAROMQFQLK-UHFFFAOYSA-N 2 0 333.432 2.007 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC001479379256 1110688667 /nfs/dbraw/zinc/68/86/67/1110688667.db2.gz SSUVSGNYBLNBBO-BZSNNMDCSA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001479409995 1110693092 /nfs/dbraw/zinc/69/30/92/1110693092.db2.gz YUIGFLIGBIWCHV-YHUYYLMFSA-N 2 0 345.478 2.492 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001479416413 1110694047 /nfs/dbraw/zinc/69/40/47/1110694047.db2.gz HUBNMPRDZNQFMF-SHTZXODSSA-N 2 0 338.883 2.060 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+][C@H]3CCc4ccccc43)CC2)CCC1 ZINC001499249664 1112200140 /nfs/dbraw/zinc/20/01/40/1112200140.db2.gz SOSOVUHSOJGBPN-KRWDZBQOSA-N 2 0 327.472 2.397 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1F ZINC001501135971 1113211075 /nfs/dbraw/zinc/21/10/75/1113211075.db2.gz NQBYMXDOYBHKAX-WBVHZDCISA-N 2 0 335.467 2.270 10 0 EEAERP CO[C@@H](C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001501662819 1113421165 /nfs/dbraw/zinc/42/11/65/1113421165.db2.gz HGTYTTHPFZGFSZ-FRQCXROJSA-N 2 0 347.503 2.110 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001501710809 1113445186 /nfs/dbraw/zinc/44/51/86/1113445186.db2.gz QHTTWBYTIWQEJF-BZUAXINKSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001501722394 1113449680 /nfs/dbraw/zinc/44/96/80/1113449680.db2.gz AZHOBNNNGQQNSZ-IYARVYRRSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2C)CC1)[NH+](C)C ZINC001502125431 1113602730 /nfs/dbraw/zinc/60/27/30/1113602730.db2.gz CKAMGNGYBIIECN-QZTJIDSGSA-N 2 0 332.492 2.201 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001502134759 1113609478 /nfs/dbraw/zinc/60/94/78/1113609478.db2.gz AZASUCTWHCPAHH-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502832229 1113825335 /nfs/dbraw/zinc/82/53/35/1113825335.db2.gz NNTCZORLQOPAHO-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001505625278 1114093316 /nfs/dbraw/zinc/09/33/16/1114093316.db2.gz IHKYLTYBVBGENA-QWHCGFSZSA-N 2 0 336.480 2.013 10 0 EEAERP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505684803 1114129900 /nfs/dbraw/zinc/12/99/00/1114129900.db2.gz CRZYFGTZGHKIOY-OLZOCXBDSA-N 2 0 340.537 2.375 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001506056311 1114380469 /nfs/dbraw/zinc/38/04/69/1114380469.db2.gz DMKPWXJZPKOSEX-GOSISDBHSA-N 2 0 331.504 2.460 10 0 EEAERP CC/C=C\CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001506830434 1114899753 /nfs/dbraw/zinc/89/97/53/1114899753.db2.gz AEGUDNJZZUMVPQ-GOVFWEMJSA-N 2 0 337.508 2.033 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc(CO)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506927465 1114979654 /nfs/dbraw/zinc/97/96/54/1114979654.db2.gz IITGRDXALZBAES-QFBILLFUSA-N 2 0 347.503 2.038 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001507034598 1115071388 /nfs/dbraw/zinc/07/13/88/1115071388.db2.gz SRGKRDOWYPUHJG-CZUORRHYSA-N 2 0 343.462 2.200 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)c1 ZINC001507317460 1115189474 /nfs/dbraw/zinc/18/94/74/1115189474.db2.gz GYRQYCBGVJOHKL-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001507428700 1115264108 /nfs/dbraw/zinc/26/41/08/1115264108.db2.gz UHGBLVHXPTYNHJ-SJORKVTESA-N 2 0 348.491 2.234 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001507434314 1115266948 /nfs/dbraw/zinc/26/69/48/1115266948.db2.gz UOMHPCHBTUWLDF-KGLIPLIRSA-N 2 0 347.425 2.107 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001508186220 1115436991 /nfs/dbraw/zinc/43/69/91/1115436991.db2.gz BEEYZGHUWYOYDK-PKOBYXMFSA-N 2 0 347.503 2.072 10 0 EEAERP Cc1ncsc1C[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001508214157 1115447971 /nfs/dbraw/zinc/44/79/71/1115447971.db2.gz VNOWJCXVNKBXOA-UHFFFAOYSA-N 2 0 348.516 2.042 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001567846246 1124137542 /nfs/dbraw/zinc/13/75/42/1124137542.db2.gz OHCTWNYZRUNVTI-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567985104 1124217187 /nfs/dbraw/zinc/21/71/87/1124217187.db2.gz AFFFHPDJGZPEPM-ZBFHGGJFSA-N 2 0 340.899 2.306 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001568007556 1124227567 /nfs/dbraw/zinc/22/75/67/1124227567.db2.gz IPDIJXZLJDIZCN-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001568043132 1124247024 /nfs/dbraw/zinc/24/70/24/1124247024.db2.gz FNTHOQPXNGQCPG-PKOBYXMFSA-N 2 0 339.524 2.162 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001568412139 1124481169 /nfs/dbraw/zinc/48/11/69/1124481169.db2.gz OCSKIVAEXXOTMW-IRXDYDNUSA-N 2 0 349.523 2.075 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568851492 1124872495 /nfs/dbraw/zinc/87/24/95/1124872495.db2.gz FSXGBVKQCMDXFG-PRPIBZDOSA-N 2 0 341.499 2.353 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001568872213 1124898178 /nfs/dbraw/zinc/89/81/78/1124898178.db2.gz UTHBGQRUTWEUGR-SQRWCISFSA-N 2 0 325.403 2.067 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]Cc2cccnc2)ccc2c[nH+]cn21 ZINC001568877700 1124904756 /nfs/dbraw/zinc/90/47/56/1124904756.db2.gz QLFLTXPULCLHEZ-IHWYPQMZSA-N 2 0 335.411 2.114 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCCC1CCOCC1 ZINC001568992221 1125026813 /nfs/dbraw/zinc/02/68/13/1125026813.db2.gz UJHXGUDCECYQBW-SJLPKXTDSA-N 2 0 339.524 2.160 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569013530 1125042195 /nfs/dbraw/zinc/04/21/95/1125042195.db2.gz QVBXJTLUXVKCLC-APWZRJJASA-N 2 0 331.504 2.370 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569079156 1125084190 /nfs/dbraw/zinc/08/41/90/1125084190.db2.gz REUHSPPTRQPCAZ-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001569214237 1125171046 /nfs/dbraw/zinc/17/10/46/1125171046.db2.gz ZVXRKRQUPHOFJT-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000261765049 282233439 /nfs/dbraw/zinc/23/34/39/282233439.db2.gz MQMWEFPVXBMSBP-HOTGVXAUSA-N 2 0 340.512 2.295 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccccc1 ZINC000416031166 283125951 /nfs/dbraw/zinc/12/59/51/283125951.db2.gz OBGUMWXLPNPPGN-MELADBBJSA-N 2 0 344.381 2.011 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422876251 240271143 /nfs/dbraw/zinc/27/11/43/240271143.db2.gz QBRSUGQBNPUKGS-VPSFDDGASA-N 2 0 345.487 2.403 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(OC)cc2)C[C@@H]1C ZINC000229746286 242195950 /nfs/dbraw/zinc/19/59/50/242195950.db2.gz SVQNCUCDBMDKKN-YESZJQIVSA-N 2 0 336.476 2.240 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)CC1 ZINC000069947481 203064797 /nfs/dbraw/zinc/06/47/97/203064797.db2.gz NOUVRRKXVSTWOJ-QGZVFWFLSA-N 2 0 342.487 2.397 10 0 EEAERP COc1ccccc1C[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127790537 205116646 /nfs/dbraw/zinc/11/66/46/205116646.db2.gz OAVHGGJJPONMQJ-MJGOQNOKSA-N 2 0 333.520 2.488 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266089319 248088288 /nfs/dbraw/zinc/08/82/88/248088288.db2.gz ZBCATAWBJHBQJP-QGZVFWFLSA-N 2 0 345.487 2.185 10 0 EEAERP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261811333 256016181 /nfs/dbraw/zinc/01/61/81/256016181.db2.gz HQYWCTQWRSTWIM-INIZCTEOSA-N 2 0 333.451 2.032 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000119067560 292240729 /nfs/dbraw/zinc/24/07/29/292240729.db2.gz PEXIUJZPJQHJEB-AQEOSJORSA-N 2 0 338.540 2.479 10 0 EEAERP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249854100 160386205 /nfs/dbraw/zinc/38/62/05/160386205.db2.gz CTGOLCDSPVLOEG-SJORKVTESA-N 2 0 348.491 2.055 10 0 EEAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247042022 160306899 /nfs/dbraw/zinc/30/68/99/160306899.db2.gz YVWUUSQZUGDSBB-HKUYNNGSSA-N 2 0 327.472 2.495 10 0 EEAERP COC(=O)CCC[NH+]1CCC(NCC[N@H+](C)C2CCCCC2)CC1 ZINC000342501064 161070165 /nfs/dbraw/zinc/07/01/65/161070165.db2.gz QESKMIDGURZTSU-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)cc1OC ZINC000343598093 161150360 /nfs/dbraw/zinc/15/03/60/161150360.db2.gz UQOZCLWWLCLCDC-AEFFLSMTSA-N 2 0 349.519 2.456 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000185874361 274023252 /nfs/dbraw/zinc/02/32/52/274023252.db2.gz KRJGKYBUZDEVEX-INIZCTEOSA-N 2 0 327.476 2.192 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279167996 274442863 /nfs/dbraw/zinc/44/28/63/274442863.db2.gz QJVXYYZDRXSOQB-SFHVURJKSA-N 2 0 341.503 2.236 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000423750168 289103281 /nfs/dbraw/zinc/10/32/81/289103281.db2.gz STZBNENUVIQOKI-NLPFYKDJSA-N 2 0 329.488 2.154 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000414728178 313070513 /nfs/dbraw/zinc/07/05/13/313070513.db2.gz BWTAMQWGDCPZHI-INIZCTEOSA-N 2 0 347.507 2.323 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416807575 313321343 /nfs/dbraw/zinc/32/13/43/313321343.db2.gz HFFCIXZFKNMHQP-SJORKVTESA-N 2 0 346.475 2.343 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416874804 313344295 /nfs/dbraw/zinc/34/42/95/313344295.db2.gz PYQVOKGAWHCYSI-OALUTQOASA-N 2 0 342.487 2.176 10 0 EEAERP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000416892051 313351752 /nfs/dbraw/zinc/35/17/52/313351752.db2.gz AGWPKHUGONQRHO-QGZVFWFLSA-N 2 0 344.503 2.471 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000416972740 313377849 /nfs/dbraw/zinc/37/78/49/313377849.db2.gz STQXGHULNMHVMW-CRAIPNDOSA-N 2 0 332.492 2.324 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416977589 313379907 /nfs/dbraw/zinc/37/99/07/313379907.db2.gz CNFPZURFLAVLBB-RTBURBONSA-N 2 0 342.487 2.176 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000417001641 313389565 /nfs/dbraw/zinc/38/95/65/313389565.db2.gz FBABTTSXOXYZMQ-WDSOQIARSA-N 2 0 346.519 2.237 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417812145 313604320 /nfs/dbraw/zinc/60/43/20/313604320.db2.gz PFAZCMQGMOJSIM-YJBOKZPZSA-N 2 0 334.508 2.177 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418601459 313857514 /nfs/dbraw/zinc/85/75/14/313857514.db2.gz UNLZZVWCZKLALV-AEFFLSMTSA-N 2 0 336.524 2.282 10 0 EEAERP CC(C)[C@H](CC(F)(F)F)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526103725 317119956 /nfs/dbraw/zinc/11/99/56/317119956.db2.gz JWBLZRPJZFMFOU-ZDUSSCGKSA-N 2 0 340.434 2.098 10 0 EEAERP COC[C@@H](C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000527115992 317154774 /nfs/dbraw/zinc/15/47/74/317154774.db2.gz XJBPMUIQMDDCTC-KRWDZBQOSA-N 2 0 325.541 2.397 10 0 EEAERP CN1C2(CCC2)COC[C@@]1(CO)CNc1ccnc2ccsc21 ZINC000528131858 317324909 /nfs/dbraw/zinc/32/49/09/317324909.db2.gz MCYKPYBXVZBJNQ-KRWDZBQOSA-N 2 0 333.457 2.324 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000528457220 317392085 /nfs/dbraw/zinc/39/20/85/317392085.db2.gz PDUYHXLTUCZZQM-QRQLOZEOSA-N 2 0 332.488 2.153 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000536600141 318003479 /nfs/dbraw/zinc/00/34/79/318003479.db2.gz VPGKLPHGLYFRNM-HOTGVXAUSA-N 2 0 330.476 2.157 10 0 EEAERP CN(CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000541857467 318112734 /nfs/dbraw/zinc/11/27/34/318112734.db2.gz GCFTVCCABKOYOR-QGZVFWFLSA-N 2 0 342.443 2.454 10 0 EEAERP CCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000542466396 318130204 /nfs/dbraw/zinc/13/02/04/318130204.db2.gz IIWBMXHCZSZLML-INIZCTEOSA-N 2 0 341.459 2.314 10 0 EEAERP CN(CCC(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1cc[nH+]cc1 ZINC000542787550 318140554 /nfs/dbraw/zinc/14/05/54/318140554.db2.gz JDTIADUAMOYAOU-UHFFFAOYSA-N 2 0 342.443 2.487 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000544598235 318192520 /nfs/dbraw/zinc/19/25/20/318192520.db2.gz FNVNTFAAGIXERE-UHFFFAOYSA-N 2 0 347.422 2.151 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000557191611 318673934 /nfs/dbraw/zinc/67/39/34/318673934.db2.gz NAFVJJIMEZNXFG-OAHLLOKOSA-N 2 0 344.450 2.080 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000563559518 319023440 /nfs/dbraw/zinc/02/34/40/319023440.db2.gz RUMGQYIZWNPYBC-CRAIPNDOSA-N 2 0 344.503 2.121 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC3CCCC3)cc2)CC1 ZINC000563880961 319051692 /nfs/dbraw/zinc/05/16/92/319051692.db2.gz HGYCNSWRBXVDSD-NRFANRHFSA-N 2 0 345.531 2.465 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000566444399 319287854 /nfs/dbraw/zinc/28/78/54/319287854.db2.gz FSQKZTFSTKAACB-OAHLLOKOSA-N 2 0 328.460 2.483 10 0 EEAERP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000566896712 319329811 /nfs/dbraw/zinc/32/98/11/319329811.db2.gz FRNSUQLRLDUZQW-DHSIGJKJSA-N 2 0 339.443 2.040 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000576135257 320144253 /nfs/dbraw/zinc/14/42/53/320144253.db2.gz ZRAYHRNJQMYONT-HKUYNNGSSA-N 2 0 330.476 2.252 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000578130302 320296312 /nfs/dbraw/zinc/29/63/12/320296312.db2.gz BRDFPGGFGYJIPU-QGZVFWFLSA-N 2 0 330.476 2.306 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580412284 324056783 /nfs/dbraw/zinc/05/67/83/324056783.db2.gz OOQKTHWHUSWNHK-ROUUACIJSA-N 2 0 326.444 2.233 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000580539095 324082774 /nfs/dbraw/zinc/08/27/74/324082774.db2.gz IBDTWNNDHCOMJG-LPHOPBHVSA-N 2 0 344.503 2.257 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000163145625 463566433 /nfs/dbraw/zinc/56/64/33/463566433.db2.gz ACFRFQFWRYQSAC-SFHVURJKSA-N 2 0 329.488 2.451 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000163145728 463566734 /nfs/dbraw/zinc/56/67/34/463566734.db2.gz ACFRFQFWRYQSAC-GOSISDBHSA-N 2 0 329.488 2.451 10 0 EEAERP O=S1(=O)CCC(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000336873449 465065972 /nfs/dbraw/zinc/06/59/72/465065972.db2.gz TXCMOTCPQBPCOP-UHFFFAOYSA-N 2 0 342.549 2.399 10 0 EEAERP CCOC(=O)COCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000351603856 465248583 /nfs/dbraw/zinc/24/85/83/465248583.db2.gz BIJXKHHDKYMFSY-IAGOWNOFSA-N 2 0 348.487 2.312 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000491032604 468288198 /nfs/dbraw/zinc/28/81/98/468288198.db2.gz CGHHKTXCLAKQKX-UHFFFAOYSA-N 2 0 326.529 2.482 10 0 EEAERP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000118986607 462864760 /nfs/dbraw/zinc/86/47/60/462864760.db2.gz LLKDJEFAEYANOF-CYBMUJFWSA-N 2 0 340.489 2.059 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093066290 463007138 /nfs/dbraw/zinc/00/71/38/463007138.db2.gz RPZGHPBAOSTOCB-GOSISDBHSA-N 2 0 330.476 2.289 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000079096825 463187915 /nfs/dbraw/zinc/18/79/15/463187915.db2.gz CHMIMJXHTGVPQD-KRWDZBQOSA-N 2 0 326.529 2.382 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000072274282 463492570 /nfs/dbraw/zinc/49/25/70/463492570.db2.gz YZASYDWTAQWBON-GOSISDBHSA-N 2 0 336.524 2.377 10 0 EEAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC12CCOCC2 ZINC000568627810 468366550 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2.090 10 0 EEAERP Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc4c[nH+]cn4c3)c2cc1C ZINC000579701489 468397532 /nfs/dbraw/zinc/39/75/32/468397532.db2.gz HKUTZUPCJGJVGG-GOSISDBHSA-N 2 0 349.438 2.452 10 0 EEAERP CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173782494 464315108 /nfs/dbraw/zinc/31/51/08/464315108.db2.gz GTQXKFVUQCUHTQ-CABCVRRESA-N 2 0 349.441 2.451 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000174121457 464365149 /nfs/dbraw/zinc/36/51/49/464365149.db2.gz BTBGOWQVKVUMEY-UHFFFAOYSA-N 2 0 347.503 2.479 10 0 EEAERP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1noc(-c2ccccc2)n1 ZINC000180957955 464427194 /nfs/dbraw/zinc/42/71/94/464427194.db2.gz JVRBXZOGYKNIDT-UHFFFAOYSA-N 2 0 343.475 2.194 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)([NH+](C)C)C1 ZINC000245662455 464502612 /nfs/dbraw/zinc/50/26/12/464502612.db2.gz DJFBTMCMQZCFQN-LMMKCTJWSA-N 2 0 334.508 2.153 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246342506 464574673 /nfs/dbraw/zinc/57/46/73/464574673.db2.gz UWRKLIZTXIQKPE-HIEASXQVSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246347675 464575054 /nfs/dbraw/zinc/57/50/54/464575054.db2.gz OVTJJYZYDXXIML-UWWQBHOKSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000246489942 464591721 /nfs/dbraw/zinc/59/17/21/464591721.db2.gz MEZPAURLDNZGIV-WMZOPIPTSA-N 2 0 327.472 2.003 10 0 EEAERP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1Cl ZINC000597046019 468426962 /nfs/dbraw/zinc/42/69/62/468426962.db2.gz DYIKAXBCJYXERM-UHFFFAOYSA-N 2 0 340.851 2.329 10 0 EEAERP C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000348207616 465490824 /nfs/dbraw/zinc/49/08/24/465490824.db2.gz PVDROVRYODYCGU-QFBILLFUSA-N 2 0 343.471 2.449 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000344542765 465657942 /nfs/dbraw/zinc/65/79/42/465657942.db2.gz DBEQTRGXSAEJNW-UHFFFAOYSA-N 2 0 329.419 2.434 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092250 465758779 /nfs/dbraw/zinc/75/87/79/465758779.db2.gz BLVCSAAQRSTVSP-DDBAPUKQSA-N 2 0 330.476 2.214 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349666553 466183479 /nfs/dbraw/zinc/18/34/79/466183479.db2.gz ZSSUVINJWQEEKM-CVEARBPZSA-N 2 0 336.505 2.229 10 0 EEAERP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349687573 466189592 /nfs/dbraw/zinc/18/95/92/466189592.db2.gz AXVKJSRQPUOLQI-QZTJIDSGSA-N 2 0 348.466 2.307 10 0 EEAERP C[C@H]1CN(CCN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250111 466216080 /nfs/dbraw/zinc/21/60/80/466216080.db2.gz FJSSVFANSZVSGS-MOPGFXCFSA-N 2 0 331.504 2.304 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)CC2 ZINC000358093138 466449098 /nfs/dbraw/zinc/44/90/98/466449098.db2.gz AESXEZQAGBDNHE-JQHSSLGASA-N 2 0 334.508 2.294 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000358192276 466529711 /nfs/dbraw/zinc/52/97/11/466529711.db2.gz PLIJWMZITNFDHV-PKOBYXMFSA-N 2 0 336.524 2.448 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000423289016 466709600 /nfs/dbraw/zinc/70/96/00/466709600.db2.gz AISBOICTOSWLJV-CABCVRRESA-N 3 0 333.476 2.117 10 0 EEAERP CC(C)[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccnc1 ZINC000423381106 466733587 /nfs/dbraw/zinc/73/35/87/466733587.db2.gz HRIWTBRCQZBROA-LSDHHAIUSA-N 2 0 330.398 2.204 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)N1CC[NH2+]CC1 ZINC000423385430 466734809 /nfs/dbraw/zinc/73/48/09/466734809.db2.gz KQGPIAFAYRIWTQ-JJXSEGSLSA-N 2 0 349.441 2.007 10 0 EEAERP COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000423430242 466747555 /nfs/dbraw/zinc/74/75/55/466747555.db2.gz PRBRHWVBELFYNP-YZGWKJHDSA-N 2 0 331.504 2.255 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000417025087 466757605 /nfs/dbraw/zinc/75/76/05/466757605.db2.gz XNNJAXOIRLFTLO-ROUUACIJSA-N 2 0 332.492 2.496 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417536186 466878842 /nfs/dbraw/zinc/87/88/42/466878842.db2.gz QLKMHHYKVJWDPP-MHORFTMASA-N 2 0 336.524 2.280 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417593489 466890444 /nfs/dbraw/zinc/89/04/44/466890444.db2.gz ZDAUZARWTUHKDU-YESZJQIVSA-N 2 0 336.524 2.423 10 0 EEAERP NC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370654855 466955482 /nfs/dbraw/zinc/95/54/82/466955482.db2.gz XZIKFPKHEHFROV-KRWDZBQOSA-N 2 0 330.476 2.031 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417995646 467016197 /nfs/dbraw/zinc/01/61/97/467016197.db2.gz QMMUYBNYWYNTBY-OVWQWFNUSA-N 2 0 334.508 2.033 10 0 EEAERP CCN1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004297 467019411 /nfs/dbraw/zinc/01/94/11/467019411.db2.gz YVHFPAIAPUMSSO-NZVBXONLSA-N 2 0 342.846 2.261 10 0 EEAERP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000418228010 467080232 /nfs/dbraw/zinc/08/02/32/467080232.db2.gz APUYLQCBZPRFTB-JZXOWHBKSA-N 2 0 332.492 2.324 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000418242875 467083006 /nfs/dbraw/zinc/08/30/06/467083006.db2.gz RAFRHVLVLMXYFA-CVEARBPZSA-N 2 0 341.459 2.390 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418466356 467114884 /nfs/dbraw/zinc/11/48/84/467114884.db2.gz RECABNWVHYEYJM-DNVCBOLYSA-N 2 0 330.476 2.334 10 0 EEAERP Cc1cnc([C@@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000428436278 467233072 /nfs/dbraw/zinc/23/30/72/467233072.db2.gz FOUXCWUPCJEZGP-QGZVFWFLSA-N 2 0 331.508 2.196 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000432816306 467266583 /nfs/dbraw/zinc/26/65/83/467266583.db2.gz ORFGGWRWNYHYAP-UHFFFAOYSA-N 2 0 341.459 2.314 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1)[C@H]1CCC[NH2+]1 ZINC000390055576 467404470 /nfs/dbraw/zinc/40/44/70/467404470.db2.gz OAHQKVHOBVNJJE-SOUVJXGZSA-N 2 0 329.435 2.002 10 0 EEAERP C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000397587767 467443336 /nfs/dbraw/zinc/44/33/36/467443336.db2.gz KIPIUEDZHNAVMS-MJGOQNOKSA-N 2 0 331.504 2.134 10 0 EEAERP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414912471 467448549 /nfs/dbraw/zinc/44/85/49/467448549.db2.gz YEIHMLSNYBJPAJ-CYBMUJFWSA-N 2 0 332.400 2.460 10 0 EEAERP C[C@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000449125418 467619852 /nfs/dbraw/zinc/61/98/52/467619852.db2.gz SIICVBGSORIAFD-QGZVFWFLSA-N 2 0 343.475 2.193 10 0 EEAERP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241879 467966784 /nfs/dbraw/zinc/96/67/84/467966784.db2.gz RMBWJDYNNIKCEW-AEFFLSMTSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1CC[NH3+])N1CCc2sccc2C1 ZINC000519548400 468170858 /nfs/dbraw/zinc/17/08/58/468170858.db2.gz TYJRXDHHGWDTGP-CQSZACIVSA-N 2 0 343.496 2.426 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000533913463 468227560 /nfs/dbraw/zinc/22/75/60/468227560.db2.gz DZDVMDMNLNFISC-BHIYHBOVSA-N 2 0 344.503 2.461 10 0 EEAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1I ZINC000600707174 468626593 /nfs/dbraw/zinc/62/65/93/468626593.db2.gz ABMGNIZZJAOOPA-LLVKDONJSA-N 2 0 348.228 2.307 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](COC)CC(C)(C)C)CC[NH2+]CC1 ZINC000594585215 468627617 /nfs/dbraw/zinc/62/76/17/468627617.db2.gz WRRUITQPFWMHIU-GJZGRUSLSA-N 2 0 328.497 2.349 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000594585201 468627643 /nfs/dbraw/zinc/62/76/43/468627643.db2.gz VCSYMTXLSCDVQB-XHSDSOJGSA-N 2 0 326.481 2.245 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000572346648 468919540 /nfs/dbraw/zinc/91/95/40/468919540.db2.gz HQHVFSMMDNQLMZ-PKOBYXMFSA-N 2 0 330.476 2.074 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000572499518 468942683 /nfs/dbraw/zinc/94/26/83/468942683.db2.gz FWLJCJYAMIRPLM-ROUUACIJSA-N 2 0 328.460 2.041 10 0 EEAERP C[C@H](c1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1)N1CCOCC1 ZINC000562749174 469062125 /nfs/dbraw/zinc/06/21/25/469062125.db2.gz JHWJMSNVMVJOKX-IIDMSEBBSA-N 2 0 346.475 2.199 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C[NH+]1CCCC1 ZINC000562769630 469065195 /nfs/dbraw/zinc/06/51/95/469065195.db2.gz RZCDEBOPPMEAEJ-CYBMUJFWSA-N 2 0 334.439 2.325 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000625837355 469406177 /nfs/dbraw/zinc/40/61/77/469406177.db2.gz JHLFGWODAROESD-CVEARBPZSA-N 2 0 345.491 2.091 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000629538546 469574802 /nfs/dbraw/zinc/57/48/02/469574802.db2.gz NTYMDYWRMXALNC-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000623395501 469642235 /nfs/dbraw/zinc/64/22/35/469642235.db2.gz OCNZWOZDQCXIEX-VQTJNVASSA-N 2 0 341.499 2.309 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000607236564 469677519 /nfs/dbraw/zinc/67/75/19/469677519.db2.gz VHDHONYCZQHFBY-IEBWSBKVSA-N 2 0 344.503 2.387 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000626957735 469768757 /nfs/dbraw/zinc/76/87/57/469768757.db2.gz YFSFRQGHFTVIJP-CGTJXYLNSA-N 2 0 330.476 2.182 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000626992375 469780432 /nfs/dbraw/zinc/78/04/32/469780432.db2.gz SMJKUGMDYABGKQ-ARFHVFGLSA-N 2 0 338.883 2.382 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C[NH2+]1 ZINC000627209754 469845459 /nfs/dbraw/zinc/84/54/59/469845459.db2.gz INNVANKRWAPEOC-NZSAHSFTSA-N 2 0 344.503 2.085 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627240005 469853997 /nfs/dbraw/zinc/85/39/97/469853997.db2.gz JMAJUVIBGOIVOZ-RYQLBKOJSA-N 2 0 330.476 2.043 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000625522228 470160183 /nfs/dbraw/zinc/16/01/83/470160183.db2.gz LWZIIGVOECXCNX-LLVKDONJSA-N 2 0 327.375 2.116 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000631662351 470176813 /nfs/dbraw/zinc/17/68/13/470176813.db2.gz FKWVUIPRLNASLD-BPQIPLTHSA-N 2 0 329.488 2.401 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768365 470302962 /nfs/dbraw/zinc/30/29/62/470302962.db2.gz GXEVYUGTHDHPBV-ZJOUEHCJSA-N 2 0 341.499 2.357 10 0 EEAERP CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000634767996 470303316 /nfs/dbraw/zinc/30/33/16/470303316.db2.gz SHJHFVPZUZCLLR-RXVVDRJESA-N 2 0 341.499 2.499 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638852655 470305360 /nfs/dbraw/zinc/30/53/60/470305360.db2.gz LZGBVHVKCYVGRR-NEWSRXKRSA-N 2 0 329.488 2.260 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000641861717 470503951 /nfs/dbraw/zinc/50/39/51/470503951.db2.gz DLDLDQFEBRBJBE-PLNGDYQASA-N 2 0 342.487 2.199 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000646335280 470608509 /nfs/dbraw/zinc/60/85/09/470608509.db2.gz ATDLLYHMHUWSFZ-OALUTQOASA-N 2 0 345.487 2.456 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000650927594 471004619 /nfs/dbraw/zinc/00/46/19/471004619.db2.gz MXQGNHCTQNIQLH-UHFFFAOYSA-N 2 0 326.529 2.386 10 0 EEAERP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657814793 471237451 /nfs/dbraw/zinc/23/74/51/471237451.db2.gz MJTRRSWEUGJTIM-UHFFFAOYSA-N 3 0 325.460 2.479 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652241315 471260979 /nfs/dbraw/zinc/26/09/79/471260979.db2.gz DFFMGUSTNBNMOD-IAGOWNOFSA-N 2 0 336.524 2.411 10 0 EEAERP CCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663445565 471381321 /nfs/dbraw/zinc/38/13/21/471381321.db2.gz PQFARGYKWGUXOL-RBUKOAKNSA-N 2 0 346.519 2.285 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655697013 471445225 /nfs/dbraw/zinc/44/52/25/471445225.db2.gz MHJBKXPLINGCDY-RTWAWAEBSA-N 2 0 345.531 2.392 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659031808 471475121 /nfs/dbraw/zinc/47/51/21/471475121.db2.gz OELRFQCLSQRXAJ-RHSMWYFYSA-N 2 0 334.464 2.199 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000659034362 471476167 /nfs/dbraw/zinc/47/61/67/471476167.db2.gz MQQHKVCWVVJPSP-GOSISDBHSA-N 2 0 344.459 2.050 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CCCC[NH2+]2)CC1 ZINC000666770173 471530683 /nfs/dbraw/zinc/53/06/83/471530683.db2.gz OBQCEIHNLNRUKL-LJQANCHMSA-N 2 0 330.520 2.450 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655911095 471533486 /nfs/dbraw/zinc/53/34/86/471533486.db2.gz ANHNBIHTBYXJGE-CQSZACIVSA-N 2 0 346.397 2.217 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659436111 471627033 /nfs/dbraw/zinc/62/70/33/471627033.db2.gz PJVZINRDDCGJSR-QZTJIDSGSA-N 2 0 332.492 2.496 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659465689 471641289 /nfs/dbraw/zinc/64/12/89/471641289.db2.gz QPEKSPBZIRDTKC-DZJNRPSUSA-N 2 0 348.466 2.120 10 0 EEAERP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659525405 471666956 /nfs/dbraw/zinc/66/69/56/471666956.db2.gz FXPQOXRQXISLMF-AEFFLSMTSA-N 2 0 344.503 2.183 10 0 EEAERP O[C@@]1(C2CC2)CCC[N@H+](CCCC[NH+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661625231 471830917 /nfs/dbraw/zinc/83/09/17/471830917.db2.gz HUWUKVFLBVKYNU-BGYRXZFFSA-N 2 0 336.520 2.240 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000667809215 471916041 /nfs/dbraw/zinc/91/60/41/471916041.db2.gz OBODVNDSOFTRQJ-OGVSOVDVSA-N 2 0 345.491 2.140 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000654348419 471921697 /nfs/dbraw/zinc/92/16/97/471921697.db2.gz FGCJCTDJCNPJEM-IXDOHACOSA-N 2 0 348.491 2.446 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667888932 471939992 /nfs/dbraw/zinc/93/99/92/471939992.db2.gz LJDQYROBKOTJQX-AZUAARDMSA-N 2 0 330.472 2.300 10 0 EEAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233398 471975072 /nfs/dbraw/zinc/97/50/72/471975072.db2.gz HAINRBCSBAUEIW-LAUBAEHRSA-N 3 0 345.531 2.426 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000665288882 471991073 /nfs/dbraw/zinc/99/10/73/471991073.db2.gz ABCSOLKCGUVKGU-SFHVURJKSA-N 2 0 345.487 2.350 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000665289497 471991219 /nfs/dbraw/zinc/99/12/19/471991219.db2.gz PNWUHJDFBZVQPO-CQSZACIVSA-N 2 0 349.475 2.042 10 0 EEAERP OC1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000668240559 472055933 /nfs/dbraw/zinc/05/59/33/472055933.db2.gz LVWPIQUUMQMYSC-OALUTQOASA-N 2 0 330.472 2.171 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)on1 ZINC000662668358 472195396 /nfs/dbraw/zinc/19/53/96/472195396.db2.gz DWAVNPFUYIKARB-UHFFFAOYSA-N 2 0 342.443 2.394 10 0 EEAERP [NH3+]C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669074 472197051 /nfs/dbraw/zinc/19/70/51/472197051.db2.gz UTMBHMLHXJKKRR-SJLPKXTDSA-N 2 0 333.451 2.391 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CC[NH2+]2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662755137 472236938 /nfs/dbraw/zinc/23/69/38/472236938.db2.gz CDWXORBNJXORMX-MOPGFXCFSA-N 2 0 341.499 2.498 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)on1 ZINC000662772411 472245260 /nfs/dbraw/zinc/24/52/60/472245260.db2.gz HFJNNLCJJHMOSD-ZDUSSCGKSA-N 2 0 348.834 2.309 10 0 EEAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662794981 472254948 /nfs/dbraw/zinc/25/49/48/472254948.db2.gz SHJVYDGDVZKERP-UHFFFAOYSA-N 2 0 328.460 2.089 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662800851 472258498 /nfs/dbraw/zinc/25/84/98/472258498.db2.gz GMFRIDHIYGPUAK-OAHLLOKOSA-N 2 0 342.487 2.398 10 0 EEAERP COc1ccc([C@H](CO)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657492154 485566883 /nfs/dbraw/zinc/56/68/83/485566883.db2.gz SHABNSFXAKGOBB-INIZCTEOSA-N 2 0 338.411 2.142 10 0 EEAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c3C3CCC3)C2)CC1 ZINC000685191281 486087013 /nfs/dbraw/zinc/08/70/13/486087013.db2.gz YJNBQLQWSPCUCE-OAHLLOKOSA-N 2 0 330.476 2.181 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cn2cccc(F)c2n1 ZINC000685450825 486121787 /nfs/dbraw/zinc/12/17/87/486121787.db2.gz WKYONTFFLDHUTA-UHFFFAOYSA-N 2 0 335.471 2.179 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000681317191 486209359 /nfs/dbraw/zinc/20/93/59/486209359.db2.gz LIJAELNKTVDCBV-RTBURBONSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000678023363 486552838 /nfs/dbraw/zinc/55/28/38/486552838.db2.gz YCZJWWIDXZXXGJ-AOIWGVFYSA-N 2 0 344.503 2.385 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415951593 527831450 /nfs/dbraw/zinc/83/14/50/527831450.db2.gz GDCPCKHMRMWOIW-CYBMUJFWSA-N 2 0 334.439 2.277 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000730731865 577052801 /nfs/dbraw/zinc/05/28/01/577052801.db2.gz QBQKFKGBAMIWEQ-HUUCEWRRSA-N 2 0 328.570 2.301 10 0 EEAERP CC[N@H+](CCC1CC[NH+](CN2CCOC2=S)CC1)CC1CC1 ZINC000770686892 577601799 /nfs/dbraw/zinc/60/17/99/577601799.db2.gz WTLVEAOAUOZZEZ-UHFFFAOYSA-N 2 0 325.522 2.395 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C[NH+](C)C)C(C)C)CC1 ZINC000751893801 577761731 /nfs/dbraw/zinc/76/17/31/577761731.db2.gz VDKHUBZNECKZFM-QGZVFWFLSA-N 2 0 332.492 2.309 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000174783049 683720457 /nfs/dbraw/zinc/72/04/57/683720457.db2.gz REPFSPRKDFAYKW-YLJYHZDGSA-N 2 0 334.504 2.361 10 0 EEAERP O[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1 ZINC000895752461 684711049 /nfs/dbraw/zinc/71/10/49/684711049.db2.gz JIAQYLZPTBNHJW-LJQANCHMSA-N 2 0 329.419 2.383 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000924642884 693037441 /nfs/dbraw/zinc/03/74/41/693037441.db2.gz MOPAUMONTSRVBG-RTBURBONSA-N 2 0 347.503 2.106 10 0 EEAERP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485510641 1191820620 /nfs/dbraw/zinc/82/06/20/1191820620.db2.gz NBLAHOPYLBNOKR-TZMCWYRMSA-N 2 0 335.414 2.250 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001485532112 1191829585 /nfs/dbraw/zinc/82/95/85/1191829585.db2.gz CXJXMFMFVIHXSE-MRXNPFEDSA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)COCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001485575681 1191852823 /nfs/dbraw/zinc/85/28/23/1191852823.db2.gz QSTRJUOWJYXYTH-DLBZAZTESA-N 2 0 341.540 2.072 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CC=C(Cl)Cl)C2)C1 ZINC001494054223 1191898473 /nfs/dbraw/zinc/89/84/73/1191898473.db2.gz JEPGSUJZIXSBQA-ZIAGYGMSSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1nccn1CC(=O)NC[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC001266494891 1176636778 /nfs/dbraw/zinc/63/67/78/1176636778.db2.gz CFFCBDPJXHYWAI-OAHLLOKOSA-N 2 0 347.850 2.021 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691275958 1177807974 /nfs/dbraw/zinc/80/79/74/1177807974.db2.gz XRLHPDYUTCMATM-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001266935472 1177844768 /nfs/dbraw/zinc/84/47/68/1177844768.db2.gz FJLMOPPRBLCLFN-UHFFFAOYSA-N 2 0 335.467 2.494 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001266939914 1177855531 /nfs/dbraw/zinc/85/55/31/1177855531.db2.gz QTMOAYXBGWWGCN-YTQUADARSA-N 2 0 347.503 2.198 10 0 EEAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691319752 1177904853 /nfs/dbraw/zinc/90/48/53/1177904853.db2.gz UFTZMOZQJZHKQE-FUVBFXSKSA-N 2 0 327.900 2.442 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001691372106 1177977333 /nfs/dbraw/zinc/97/73/33/1177977333.db2.gz SWJGGVVFGSCKQU-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001267043881 1178140315 /nfs/dbraw/zinc/14/03/15/1178140315.db2.gz FBZBRAIJOYJAOW-DOTOQJQBSA-N 2 0 325.472 2.191 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC001267109361 1178264208 /nfs/dbraw/zinc/26/42/08/1178264208.db2.gz GTHXTWOBUNDAIT-IYBDPMFKSA-N 2 0 347.503 2.424 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1)[NH+](C)C ZINC001267178903 1178432549 /nfs/dbraw/zinc/43/25/49/1178432549.db2.gz GRWZDRDLPVJKDC-HOTGVXAUSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)C2CC[NH+](C)CC2)C(C)C)on1 ZINC001267319574 1178748289 /nfs/dbraw/zinc/74/82/89/1178748289.db2.gz PEKXJBKZQVCIAH-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C[C@H]1CCOC1)C(C)C ZINC001267340558 1178787988 /nfs/dbraw/zinc/78/79/88/1178787988.db2.gz MHCICGCUHUJYOI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](OC)c2ccccc2)CC[N@@H+]1C ZINC001267374674 1178896108 /nfs/dbraw/zinc/89/61/08/1178896108.db2.gz JAQBQMOCZZTBCN-IPMKNSEASA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267490449 1179161622 /nfs/dbraw/zinc/16/16/22/1179161622.db2.gz NHCSOARYRKINJV-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF)[NH+](C)C ZINC001267535472 1179296678 /nfs/dbraw/zinc/29/66/78/1179296678.db2.gz YUOBVJRGMUGMTR-BBWFWOEESA-N 2 0 327.488 2.388 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC001481072373 1179676603 /nfs/dbraw/zinc/67/66/03/1179676603.db2.gz TWCNGFYDSHGLDU-HKUYNNGSSA-N 2 0 345.462 2.489 10 0 EEAERP CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242802 1180419646 /nfs/dbraw/zinc/41/96/46/1180419646.db2.gz WCZWYOTZUVUJBX-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP CN(CC[NH2+]Cc1cc(O)ccc1Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481248076 1180455683 /nfs/dbraw/zinc/45/56/83/1180455683.db2.gz XTJZCXJQBFAVAX-INIZCTEOSA-N 2 0 339.867 2.078 10 0 EEAERP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCCCCOC)C1 ZINC001267790314 1180535152 /nfs/dbraw/zinc/53/51/52/1180535152.db2.gz KGHYYBCAAPTWKZ-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C[NH2+]CCC(F)(F)F ZINC001268010691 1180968203 /nfs/dbraw/zinc/96/82/03/1180968203.db2.gz WAQFTMWZBAKIHC-ZDUSSCGKSA-N 2 0 349.441 2.403 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268062556 1181648870 /nfs/dbraw/zinc/64/88/70/1181648870.db2.gz DITDDNTZDHEZCI-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCOCC(C)C)C1 ZINC001481539394 1181686480 /nfs/dbraw/zinc/68/64/80/1181686480.db2.gz ISBJRWFMQWSQEH-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001268130939 1181782646 /nfs/dbraw/zinc/78/26/46/1181782646.db2.gz JAEXIUNMLAIRCN-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)o1 ZINC001268161381 1181875214 /nfs/dbraw/zinc/87/52/14/1181875214.db2.gz DJJUHSIPUBGUIB-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268252685 1182082590 /nfs/dbraw/zinc/08/25/90/1182082590.db2.gz DZCOGTDXATWDIL-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CCN(CC[NH2+]Cc1cn(C(C)C)nc1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268461529 1182758364 /nfs/dbraw/zinc/75/83/64/1182758364.db2.gz LYIVEGPJCDMMJE-GOSISDBHSA-N 2 0 349.523 2.195 10 0 EEAERP CCN(CCNCc1ncc(C(C)C)o1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268471193 1182832146 /nfs/dbraw/zinc/83/21/46/1182832146.db2.gz DAUPAJLTIQUFEQ-HNNXBMFYSA-N 2 0 336.480 2.220 10 0 EEAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268480965 1182923583 /nfs/dbraw/zinc/92/35/83/1182923583.db2.gz SVALYKHHWBEPQO-MOPGFXCFSA-N 2 0 329.488 2.180 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481983414 1183079129 /nfs/dbraw/zinc/07/91/29/1183079129.db2.gz HOHVYNFALXPGJP-INIZCTEOSA-N 2 0 348.491 2.043 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268541519 1183206192 /nfs/dbraw/zinc/20/61/92/1183206192.db2.gz GJSCCYJSVWEXSC-WXFDERKXSA-N 2 0 345.487 2.106 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001268542515 1183213817 /nfs/dbraw/zinc/21/38/17/1183213817.db2.gz QVCKKJJNKGKXJM-SHCNBLLESA-N 2 0 330.476 2.025 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001482042698 1183217176 /nfs/dbraw/zinc/21/71/76/1183217176.db2.gz CMACHZHPECKMPG-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550760 1183235008 /nfs/dbraw/zinc/23/50/08/1183235008.db2.gz UMUYTSLMUUWIQU-PYTPGESOSA-N 2 0 346.475 2.152 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001268706345 1183628613 /nfs/dbraw/zinc/62/86/13/1183628613.db2.gz FMLFVJTUYPCKNL-HNNXBMFYSA-N 2 0 335.467 2.194 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2nocc2C)C1 ZINC001268818445 1183736917 /nfs/dbraw/zinc/73/69/17/1183736917.db2.gz WWZUCBFUBQXJAV-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001268877423 1183785427 /nfs/dbraw/zinc/78/54/27/1183785427.db2.gz YJZUFUOHSUGWIN-NVXWUHKLSA-N 2 0 348.491 2.192 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001269251793 1184101513 /nfs/dbraw/zinc/10/15/13/1184101513.db2.gz RTWNQBZZLFPOEN-QGZVFWFLSA-N 2 0 339.524 2.209 10 0 EEAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001269281434 1184134925 /nfs/dbraw/zinc/13/49/25/1184134925.db2.gz QQSYJXQMYZLMEC-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP CCOCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001269604943 1184430169 /nfs/dbraw/zinc/43/01/69/1184430169.db2.gz LGHZHOWLJVMSIF-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001691506416 1184867138 /nfs/dbraw/zinc/86/71/38/1184867138.db2.gz PSKWZWNFTYCAOB-RBSFLKMASA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270770778 1185380544 /nfs/dbraw/zinc/38/05/44/1185380544.db2.gz YAPWUUATXULDMM-QAPCUYQASA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCC(C)CC2)s1 ZINC001482344262 1185458948 /nfs/dbraw/zinc/45/89/48/1185458948.db2.gz MZCNLXQELVBIKA-CQSZACIVSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)on1 ZINC001482457082 1185891317 /nfs/dbraw/zinc/89/13/17/1185891317.db2.gz WIJRCWZPGXFAJA-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482459495 1185920607 /nfs/dbraw/zinc/92/06/07/1185920607.db2.gz CKGKCRKGQBALIO-RTBURBONSA-N 2 0 344.503 2.203 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccns2)C1 ZINC001482485290 1186205945 /nfs/dbraw/zinc/20/59/45/1186205945.db2.gz UNWMBHMFRPTAQP-GJZGRUSLSA-N 2 0 338.521 2.200 10 0 EEAERP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482598533 1187323447 /nfs/dbraw/zinc/32/34/47/1187323447.db2.gz IPSKWXYUCZLKFN-UXHICEINSA-N 2 0 341.499 2.406 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001482619199 1187439383 /nfs/dbraw/zinc/43/93/83/1187439383.db2.gz OQKMGHVEUNQUNY-MAUKXSAKSA-N 2 0 333.476 2.241 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCCC(F)(F)F)C1 ZINC001691839254 1187726110 /nfs/dbraw/zinc/72/61/10/1187726110.db2.gz LLXNKIRYDMXGRO-KFWWJZLASA-N 2 0 347.425 2.346 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nccs1 ZINC001482847620 1187765908 /nfs/dbraw/zinc/76/59/08/1187765908.db2.gz GNRGNHWEIJSBBK-CABCVRRESA-N 2 0 338.521 2.248 10 0 EEAERP C[C@H](CC[NH2+]CC[C@@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861306 1187774520 /nfs/dbraw/zinc/77/45/20/1187774520.db2.gz UTQLKEDONGHXJI-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482865894 1187785639 /nfs/dbraw/zinc/78/56/39/1187785639.db2.gz NZJVQCDJXLCBAT-CQSZACIVSA-N 2 0 344.459 2.154 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1)[NH+]1CCCCCC1 ZINC001482876862 1187796126 /nfs/dbraw/zinc/79/61/26/1187796126.db2.gz LMSMHSPQUDBKBP-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP CCN1CCO[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC2CCCCCC2)C1 ZINC001482900939 1187813274 /nfs/dbraw/zinc/81/32/74/1187813274.db2.gz LUOHNIDTVNTQBS-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)noc1C ZINC001482903123 1187828949 /nfs/dbraw/zinc/82/89/49/1187828949.db2.gz XDKXZDXSPXZSLB-CXAGYDPISA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001482933571 1187853297 /nfs/dbraw/zinc/85/32/97/1187853297.db2.gz DCCYOSDVDFUWIO-UHFFFAOYSA-N 2 0 333.451 2.392 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001483009043 1187991100 /nfs/dbraw/zinc/99/11/00/1187991100.db2.gz BXFWQYRMBRLQTD-GHOSXJJBSA-N 2 0 329.488 2.364 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001483015577 1188002159 /nfs/dbraw/zinc/00/21/59/1188002159.db2.gz MXQGSWNXYDMSGH-JZIMQPMSSA-N 2 0 329.435 2.168 10 0 EEAERP Cc1ccccc1OCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483025415 1188021427 /nfs/dbraw/zinc/02/14/27/1188021427.db2.gz BPBXOTQMTHKDMQ-MJRGOJFPSA-N 2 0 345.487 2.120 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001409269342 1188405103 /nfs/dbraw/zinc/40/51/03/1188405103.db2.gz FJUCOTOORWPMGM-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001483082743 1188443915 /nfs/dbraw/zinc/44/39/15/1188443915.db2.gz VYVGECUJBUTDGJ-HMECNJMJSA-N 2 0 329.488 2.353 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccccn1)[NH+]1CCCCC1 ZINC001483096230 1188470170 /nfs/dbraw/zinc/47/01/70/1188470170.db2.gz ALXDBCDENAGZOS-OVKVCFKUSA-N 2 0 344.503 2.354 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483183690 1189054236 /nfs/dbraw/zinc/05/42/36/1189054236.db2.gz BHHAQEGLKLADGY-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409368861 1189588324 /nfs/dbraw/zinc/58/83/24/1189588324.db2.gz MKAKIFJMZWJKLQ-OLZOCXBDSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001409427322 1189661590 /nfs/dbraw/zinc/66/15/90/1189661590.db2.gz XCSNCMNONVLBOU-JKSUJKDBSA-N 2 0 347.503 2.084 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483235494 1189982208 /nfs/dbraw/zinc/98/22/08/1189982208.db2.gz SOROVDYPDKXJHL-XJKSGUPXSA-N 2 0 336.505 2.144 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCOCC1 ZINC001409554920 1190029248 /nfs/dbraw/zinc/02/92/48/1190029248.db2.gz KWPMKWSKWHWCGL-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001409758376 1190248455 /nfs/dbraw/zinc/24/84/55/1190248455.db2.gz CNACPBVAHZRNRQ-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP COC[C@@H](C)[NH2+]CC1(NC(=O)C[C@H](C)n2ccnc2)CCCCC1 ZINC001409772119 1190267245 /nfs/dbraw/zinc/26/72/45/1190267245.db2.gz CKEYWOBYMJTSKA-CVEARBPZSA-N 2 0 336.480 2.278 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1N(C)C ZINC001483296839 1190319485 /nfs/dbraw/zinc/31/94/85/1190319485.db2.gz RQCRSTQTSLJZSE-QFBILLFUSA-N 2 0 346.519 2.221 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1Cl ZINC001483296869 1190319501 /nfs/dbraw/zinc/31/95/01/1190319501.db2.gz SAJWDGWAAZSDSE-LBPRGKRZSA-N 2 0 329.847 2.414 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483296431 1190323458 /nfs/dbraw/zinc/32/34/58/1190323458.db2.gz IGZDVTOOFBHUAT-AWEZNQCLSA-N 2 0 336.480 2.016 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccn1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483347559 1190382786 /nfs/dbraw/zinc/38/27/86/1190382786.db2.gz LKKRKTLRCKAVIO-QFBILLFUSA-N 2 0 344.503 2.425 10 0 EEAERP C[C@@H](C[N@H+](C)CCCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406988 1190453237 /nfs/dbraw/zinc/45/32/37/1190453237.db2.gz KTJFNFVEFVTQRU-KRWDZBQOSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)co1 ZINC001483437180 1190480622 /nfs/dbraw/zinc/48/06/22/1190480622.db2.gz MMKVHDWFIDOZOH-QAPCUYQASA-N 2 0 348.491 2.232 10 0 EEAERP CN(CCC[NH2+]Cc1ccns1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483464955 1190488932 /nfs/dbraw/zinc/48/89/32/1190488932.db2.gz GCBNTDFTWWBDBL-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c2ncccn2)C1 ZINC001483486587 1190506748 /nfs/dbraw/zinc/50/67/48/1190506748.db2.gz IXJREGYRZQBZNB-IAGOWNOFSA-N 2 0 347.507 2.098 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001483605344 1190584016 /nfs/dbraw/zinc/58/40/16/1190584016.db2.gz IZVVQOGCDGCBFJ-DOTOQJQBSA-N 2 0 335.879 2.276 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)n1 ZINC001486120809 1193687664 /nfs/dbraw/zinc/68/76/64/1193687664.db2.gz FHDKBLNNKAYUCZ-WBVHZDCISA-N 2 0 332.492 2.236 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001486123208 1193688249 /nfs/dbraw/zinc/68/82/49/1193688249.db2.gz ZKAXWAOOFKZRIH-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486123681 1193688499 /nfs/dbraw/zinc/68/84/99/1193688499.db2.gz GKWIKMBPCBXIOL-ZBFHGGJFSA-N 2 0 337.895 2.413 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3cscn3)CCCCC2)C1 ZINC001409792208 1190623698 /nfs/dbraw/zinc/62/36/98/1190623698.db2.gz SDJVCFVXCLIQNL-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001272525060 1190867204 /nfs/dbraw/zinc/86/72/04/1190867204.db2.gz XBXWQKSJACHLHJ-SJLPKXTDSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001272553725 1190876406 /nfs/dbraw/zinc/87/64/06/1190876406.db2.gz ABVRNCYMONEQPU-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1ccncc1C[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001409901099 1190966895 /nfs/dbraw/zinc/96/68/95/1190966895.db2.gz DWGCMJFMPVTGEP-LPHOPBHVSA-N 2 0 344.503 2.201 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001483801091 1191042278 /nfs/dbraw/zinc/04/22/78/1191042278.db2.gz GCTPEKXLAAAAIA-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001483910469 1191120908 /nfs/dbraw/zinc/12/09/08/1191120908.db2.gz ZNSLXYWVHZUDFX-WMZOPIPTSA-N 2 0 346.519 2.173 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001484167613 1191254649 /nfs/dbraw/zinc/25/46/49/1191254649.db2.gz SMUXCEBXEPEDRC-FQEVSTJZSA-N 2 0 347.503 2.365 10 0 EEAERP CC(C)CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001484191576 1191263043 /nfs/dbraw/zinc/26/30/43/1191263043.db2.gz VXZWVOUINDDQMA-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCCCCF)CCC2(F)F)C1 ZINC001484195568 1191267519 /nfs/dbraw/zinc/26/75/19/1191267519.db2.gz HZILFOJIPNRRKW-GJZGRUSLSA-N 2 0 349.441 2.151 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001484199613 1191270347 /nfs/dbraw/zinc/27/03/47/1191270347.db2.gz ZARQFHHEEJOCNX-HUUCEWRRSA-N 2 0 333.467 2.448 10 0 EEAERP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484351982 1191314509 /nfs/dbraw/zinc/31/45/09/1191314509.db2.gz HLFKJMZDTFPIRS-HZPDHXFCSA-N 2 0 347.528 2.213 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2C1 ZINC001484412862 1191339846 /nfs/dbraw/zinc/33/98/46/1191339846.db2.gz DSZBHMDBXUIMQD-HDICACEKSA-N 2 0 333.520 2.299 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2nsc3ccccc23)CCC1 ZINC001484648989 1191454789 /nfs/dbraw/zinc/45/47/89/1191454789.db2.gz BLOCNBYNMYATHK-UHFFFAOYSA-N 2 0 346.500 2.377 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CCC2)c1C ZINC001484663497 1191463350 /nfs/dbraw/zinc/46/33/50/1191463350.db2.gz WCFACRMQKGOZKX-UHFFFAOYSA-N 2 0 347.503 2.472 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001484678295 1191467099 /nfs/dbraw/zinc/46/70/99/1191467099.db2.gz JWSQIEIDYAHZOT-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001484715194 1191479513 /nfs/dbraw/zinc/47/95/13/1191479513.db2.gz LCMUGYRISVKTGI-KRWDZBQOSA-N 2 0 349.523 2.219 10 0 EEAERP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484936501 1191580341 /nfs/dbraw/zinc/58/03/41/1191580341.db2.gz FNIGUVUAXDRVKN-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP CCc1nocc1C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001485041897 1191623075 /nfs/dbraw/zinc/62/30/75/1191623075.db2.gz RYJCYEGOWMVSQW-INIZCTEOSA-N 2 0 336.480 2.048 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485156353 1191668256 /nfs/dbraw/zinc/66/82/56/1191668256.db2.gz GPURTGXYYCPZQY-CHWSQXEVSA-N 2 0 339.430 2.432 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485229253 1191699087 /nfs/dbraw/zinc/69/90/87/1191699087.db2.gz HXVTUOQYSKAYTF-STQMWFEESA-N 2 0 327.419 2.288 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC[C@H]1CCCO1)CC2 ZINC001486149584 1193700402 /nfs/dbraw/zinc/70/04/02/1193700402.db2.gz PAHSEYCHRWXNEG-AOIWGVFYSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NCC1=CC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001486521619 1194044466 /nfs/dbraw/zinc/04/44/66/1194044466.db2.gz HHTWPRUNSXQHKG-IBGZPJMESA-N 2 0 349.519 2.037 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001486521666 1194044784 /nfs/dbraw/zinc/04/47/84/1194044784.db2.gz IRPIPDLLHVMHNP-GOSISDBHSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272987226 1194295677 /nfs/dbraw/zinc/29/56/77/1194295677.db2.gz YZPHVZTZMPIDFD-OAHLLOKOSA-N 2 0 342.487 2.494 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019036 1194326242 /nfs/dbraw/zinc/32/62/42/1194326242.db2.gz RGLNQFLTQGFJRV-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ncc(C[NH+]2C[C@@H]3CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)o1 ZINC001410189583 1197594675 /nfs/dbraw/zinc/59/46/75/1197594675.db2.gz PQADBYRVKZTSGM-GVDBMIGSSA-N 2 0 348.491 2.040 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccs2)C1 ZINC001410245077 1197629463 /nfs/dbraw/zinc/62/94/63/1197629463.db2.gz VBLHVCCQHWEMPW-RBSFLKMASA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1cncs1)C1CC1)[NH+](C)C ZINC001410339919 1197728491 /nfs/dbraw/zinc/72/84/91/1197728491.db2.gz ZVWVKTPOLNDMEV-CVEARBPZSA-N 2 0 338.521 2.056 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001410394725 1197796794 /nfs/dbraw/zinc/79/67/94/1197796794.db2.gz ONBKTQONGDYDKU-MRXNPFEDSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCC1CCCC1 ZINC001410474226 1198014817 /nfs/dbraw/zinc/01/48/17/1198014817.db2.gz JIOMNZHQLPNRIV-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCCCC[NH3+])Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000872155542 1198063357 /nfs/dbraw/zinc/06/33/57/1198063357.db2.gz PHFZNENNPGZDOJ-UHFFFAOYSA-N 2 0 332.404 2.416 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000872216068 1198092248 /nfs/dbraw/zinc/09/22/48/1198092248.db2.gz NJGLBJAORZNVFR-OALUTQOASA-N 2 0 346.515 2.400 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001410858102 1198509358 /nfs/dbraw/zinc/50/93/58/1198509358.db2.gz RNSCBDAPEVFXIB-IUODEOHRSA-N 2 0 338.521 2.179 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001410913246 1198566135 /nfs/dbraw/zinc/56/61/35/1198566135.db2.gz QAHSMIULOCDBJC-PKOBYXMFSA-N 2 0 348.491 2.192 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncc(C)o3)[C@@H]2C1 ZINC001410912751 1198566916 /nfs/dbraw/zinc/56/69/16/1198566916.db2.gz FZPVUAPJZGGLLH-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)cn1 ZINC001410970117 1198647883 /nfs/dbraw/zinc/64/78/83/1198647883.db2.gz CUDQZOSYTHJLFC-WBVHZDCISA-N 2 0 347.507 2.014 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001411241530 1198960234 /nfs/dbraw/zinc/96/02/34/1198960234.db2.gz YMVKKPVLFRCIRE-RHSMWYFYSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C)CCCCC2)C[C@H]1C[NH+](C)C ZINC000875369250 1199224795 /nfs/dbraw/zinc/22/47/95/1199224795.db2.gz HZCGRJOOBDDAQC-IAGOWNOFSA-N 2 0 338.540 2.338 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000810367289 1199451222 /nfs/dbraw/zinc/45/12/22/1199451222.db2.gz JEEYZMQQIFEQHA-CRAIPNDOSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)n1C(C)C ZINC000870024248 1200412672 /nfs/dbraw/zinc/41/26/72/1200412672.db2.gz MIPNPWDXNLABPY-QZTJIDSGSA-N 2 0 348.535 2.497 10 0 EEAERP CC(C)(CNC(=O)CCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000870863648 1200918113 /nfs/dbraw/zinc/91/81/13/1200918113.db2.gz SIWBTURFBANQBF-UHFFFAOYSA-N 2 0 341.499 2.472 10 0 EEAERP COCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000866672726 1201576576 /nfs/dbraw/zinc/57/65/76/1201576576.db2.gz MKZNCCJXUAQJFU-LJQANCHMSA-N 3 0 349.519 2.028 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000868234261 1201772370 /nfs/dbraw/zinc/77/23/70/1201772370.db2.gz ZSIXBOHEZDGKTE-QRQLOZEOSA-N 2 0 344.503 2.243 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2F)CCC1 ZINC001274088108 1204364231 /nfs/dbraw/zinc/36/42/31/1204364231.db2.gz FZCXMYAHNIHGII-ARJAWSKDSA-N 2 0 337.414 2.211 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2F)CCC1 ZINC001274088109 1204364324 /nfs/dbraw/zinc/36/43/24/1204364324.db2.gz FZCXMYAHNIHGII-ONEGZZNKSA-N 2 0 337.414 2.211 10 0 EEAERP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1[NH2+]CCCF ZINC001274208557 1204459031 /nfs/dbraw/zinc/45/90/31/1204459031.db2.gz OIDXXULORZRBHA-OCCSQVGLSA-N 2 0 327.469 2.219 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCCCCF ZINC001274269534 1204980766 /nfs/dbraw/zinc/98/07/66/1204980766.db2.gz JMHJGUKEKQXQRS-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001274369968 1205012199 /nfs/dbraw/zinc/01/21/99/1205012199.db2.gz SRHYOEOETSTYCH-VGOKWCNXSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275592927 1205435848 /nfs/dbraw/zinc/43/58/48/1205435848.db2.gz VGHJHIJGJJEIDP-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001276001362 1205628289 /nfs/dbraw/zinc/62/82/89/1205628289.db2.gz IMTUHZMJVSCMDW-MRXNPFEDSA-N 2 0 336.480 2.048 10 0 EEAERP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CN4C[C@@H]3CCC4)CC2)cc1 ZINC000924800327 1206033697 /nfs/dbraw/zinc/03/36/97/1206033697.db2.gz ZTAKMSKEOVOWQP-PZJWPPBQSA-N 2 0 342.531 2.273 10 0 EEAERP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(OC)n1 ZINC000924962236 1206055669 /nfs/dbraw/zinc/05/56/69/1206055669.db2.gz ZYTIBUBRKRFBCW-KRWDZBQOSA-N 2 0 334.508 2.405 10 0 EEAERP Cn1cc(N2CCC[C@@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)cn1 ZINC000925520726 1206122367 /nfs/dbraw/zinc/12/23/67/1206122367.db2.gz XVIMUXWDZMXOCI-IEBWSBKVSA-N 2 0 327.476 2.459 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)C12CCC2 ZINC000925552372 1206126510 /nfs/dbraw/zinc/12/65/10/1206126510.db2.gz JYVIYOWJTGYBAU-KSZLIROESA-N 2 0 327.472 2.080 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cn2)CC1 ZINC000925555488 1206127449 /nfs/dbraw/zinc/12/74/49/1206127449.db2.gz CAPPGEMCUUOBRE-QZTJIDSGSA-N 3 0 345.535 2.219 10 0 EEAERP CC(=O)Nc1cccc(OCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925591506 1206133047 /nfs/dbraw/zinc/13/30/47/1206133047.db2.gz QFJXTXPWRPXAOU-SQNIBIBYSA-N 2 0 331.460 2.390 10 0 EEAERP C[NH+](C)CCOc1cc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ccn1 ZINC000925629031 1206137402 /nfs/dbraw/zinc/13/74/02/1206137402.db2.gz KATCLNCGLXFHHJ-RBUKOAKNSA-N 2 0 346.519 2.280 10 0 EEAERP CN1C(=O)C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925779853 1206153675 /nfs/dbraw/zinc/15/36/75/1206153675.db2.gz MZUHNQSPTCLHDD-QSJFSLAZSA-N 2 0 335.398 2.096 10 0 EEAERP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925803425 1206155397 /nfs/dbraw/zinc/15/53/97/1206155397.db2.gz OGTRBVNEMHXWDO-UIFIKXQLSA-N 2 0 345.531 2.458 10 0 EEAERP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c(C)n1 ZINC000925806886 1206155704 /nfs/dbraw/zinc/15/57/04/1206155704.db2.gz CGDPVYYDLDHSJJ-OAHLLOKOSA-N 2 0 339.487 2.349 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000925808201 1206155923 /nfs/dbraw/zinc/15/59/23/1206155923.db2.gz AWRULADTOPSSIP-XLIONFOSSA-N 2 0 330.520 2.052 10 0 EEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809236 1206156010 /nfs/dbraw/zinc/15/60/10/1206156010.db2.gz COAIQWRCLSAXOH-NQIIRXRSSA-N 3 0 344.547 2.492 10 0 EEAERP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1OC ZINC000925810304 1206156582 /nfs/dbraw/zinc/15/65/82/1206156582.db2.gz DUJKVQSMYKMWHD-LSDHHAIUSA-N 2 0 335.492 2.209 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000925813024 1206156892 /nfs/dbraw/zinc/15/68/92/1206156892.db2.gz QUQWIVZNCDABBT-IBGZPJMESA-N 2 0 328.435 2.323 10 0 EEAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845936 1206159780 /nfs/dbraw/zinc/15/97/80/1206159780.db2.gz QEJJWQPOKOWIGT-GOSISDBHSA-N 2 0 346.519 2.093 10 0 EEAERP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925851510 1206160420 /nfs/dbraw/zinc/16/04/20/1206160420.db2.gz YVOULZUSWTWIPI-GOSISDBHSA-N 2 0 346.519 2.377 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925899035 1206165293 /nfs/dbraw/zinc/16/52/93/1206165293.db2.gz HWEMZJQBYCIOIJ-SFHVURJKSA-N 2 0 349.523 2.304 10 0 EEAERP C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000925947033 1206173217 /nfs/dbraw/zinc/17/32/17/1206173217.db2.gz RFNCEVCPQVXNNZ-INIZCTEOSA-N 2 0 334.464 2.233 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)C(=O)NCC[NH+](C)C ZINC000925955158 1206174006 /nfs/dbraw/zinc/17/40/06/1206174006.db2.gz UKAAEZATAUOPOL-YJBOKZPZSA-N 2 0 349.523 2.351 10 0 EEAERP C[C@H]1CC2(CC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)C2)CO1 ZINC000926126893 1206195975 /nfs/dbraw/zinc/19/59/75/1206195975.db2.gz SMNBQNLBCHIQTH-UGKFFRBESA-N 2 0 330.472 2.300 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000928096232 1206341913 /nfs/dbraw/zinc/34/19/13/1206341913.db2.gz QYRIZKKRXAJBKC-IAGOWNOFSA-N 2 0 333.501 2.058 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000929469541 1206478087 /nfs/dbraw/zinc/47/80/87/1206478087.db2.gz OCPYKALEWWLSBO-LJQANCHMSA-N 2 0 345.487 2.051 10 0 EEAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000929848978 1206508876 /nfs/dbraw/zinc/50/88/76/1206508876.db2.gz VKYANMGHEZWZGT-UAFMIMERSA-N 2 0 332.488 2.277 10 0 EEAERP C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@H+](CC1(O)CCOCC1)C2 ZINC000931217592 1206616926 /nfs/dbraw/zinc/61/69/26/1206616926.db2.gz SKRPQOYPQNXQAH-BGYRXZFFSA-N 2 0 344.499 2.372 10 0 EEAERP CC(C)N(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1nccs1 ZINC001691736198 1210583227 /nfs/dbraw/zinc/58/32/27/1210583227.db2.gz LZYNRHVLIIQNNN-OAHLLOKOSA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000722491770 1230175819 /nfs/dbraw/zinc/17/58/19/1230175819.db2.gz XSZZARWQDWWUHY-OAHLLOKOSA-N 2 0 348.447 2.191 10 0 EEAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902882023 1238845488 /nfs/dbraw/zinc/84/54/88/1238845488.db2.gz RYNDUSPPKKAXSX-GNKITCRMSA-N 2 0 334.504 2.157 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902957491 1239191427 /nfs/dbraw/zinc/19/14/27/1239191427.db2.gz IVXRAEVOHTYMGP-AOIWGVFYSA-N 2 0 331.504 2.242 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OC(C)C)CCOC2)[C@H](C)C1 ZINC000903359272 1240304399 /nfs/dbraw/zinc/30/43/99/1240304399.db2.gz BLVYNTAGICPXJP-QYZOEREBSA-N 2 0 342.524 2.297 10 0 EEAERP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494486 1240664937 /nfs/dbraw/zinc/66/49/37/1240664937.db2.gz GHRQBTYQUWKTLE-BJJFTJIOSA-N 2 0 333.520 2.377 10 0 EEAERP COc1ccccc1CC[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903892503 1242357427 /nfs/dbraw/zinc/35/74/27/1242357427.db2.gz TZWCFDXHSCSQHZ-MRXNPFEDSA-N 2 0 330.476 2.029 10 0 EEAERP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921890 1242510426 /nfs/dbraw/zinc/51/04/26/1242510426.db2.gz SDLCOOXMQNRDGJ-RDTXWAMCSA-N 2 0 328.460 2.132 10 0 EEAERP COc1cccc(C2([NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)CCC2)c1 ZINC000903932555 1242554465 /nfs/dbraw/zinc/55/44/65/1242554465.db2.gz DQKKVXXBCRIDBZ-INIZCTEOSA-N 2 0 341.459 2.380 10 0 EEAERP C[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000903932574 1242557145 /nfs/dbraw/zinc/55/71/45/1242557145.db2.gz DWJTZWJXRBOZDF-PBHICJAKSA-N 2 0 341.459 2.378 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001413788090 1246063305 /nfs/dbraw/zinc/06/33/05/1246063305.db2.gz QONOECKFFPIAOQ-ZRNYENFQSA-N 2 0 341.499 2.355 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001491050875 1258614681 /nfs/dbraw/zinc/61/46/81/1258614681.db2.gz OSHRQROVWVEIHA-BNOWGMLFSA-N 2 0 325.403 2.214 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001491191601 1258756921 /nfs/dbraw/zinc/75/69/21/1258756921.db2.gz ULPYHUIYINLAFT-ZDUSSCGKSA-N 2 0 336.307 2.474 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1CCc1ccccc1F ZINC001491236484 1258825321 /nfs/dbraw/zinc/82/53/21/1258825321.db2.gz MBTFSESQNUGEGH-SFHVURJKSA-N 2 0 347.478 2.435 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001491315577 1258942915 /nfs/dbraw/zinc/94/29/15/1258942915.db2.gz UIBATOSBWRCPJG-FTWQHDNSSA-N 2 0 347.478 2.474 10 0 EEAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)ccc1OC ZINC000850545294 1277263473 /nfs/dbraw/zinc/26/34/73/1277263473.db2.gz AFJNRONOSHNSBW-YOEHRIQHSA-N 2 0 333.476 2.466 10 0 EEAERP O=CN1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000850561811 1277266303 /nfs/dbraw/zinc/26/63/03/1277266303.db2.gz PEQSPWOBZRXHDM-IBGZPJMESA-N 2 0 341.499 2.499 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273645691 1282136655 /nfs/dbraw/zinc/13/66/55/1282136655.db2.gz PFZIXAUJXSJIPO-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001489340345 1290524609 /nfs/dbraw/zinc/52/46/09/1290524609.db2.gz WPIFENCZPHENHP-KRWDZBQOSA-N 2 0 341.540 2.314 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)n1 ZINC000852907155 1292231416 /nfs/dbraw/zinc/23/14/16/1292231416.db2.gz FFWBJHDKYYTZTR-DKUMPPAJSA-N 2 0 336.867 2.175 10 0 EEAERP C[NH+]1CCC2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000854498784 1292812392 /nfs/dbraw/zinc/81/23/92/1292812392.db2.gz XPNKSEHVPOJOFW-SFHVURJKSA-N 2 0 325.472 2.143 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3ccnc3C)C2)ccn1 ZINC000856584990 1293571985 /nfs/dbraw/zinc/57/19/85/1293571985.db2.gz WOWGTKDKXCDBKL-LJQANCHMSA-N 2 0 343.475 2.192 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491164674 1299646923 /nfs/dbraw/zinc/64/69/23/1299646923.db2.gz XTXKLDTXBTUBCL-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001277053675 1301052182 /nfs/dbraw/zinc/05/21/82/1301052182.db2.gz QMPPODXUELCCNA-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CN(C)CCO2)c(C)c1 ZINC001277157423 1301568202 /nfs/dbraw/zinc/56/82/02/1301568202.db2.gz YYEHPOSSPUIWRF-HKUYNNGSSA-N 2 0 347.503 2.009 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277279911 1302155936 /nfs/dbraw/zinc/15/59/36/1302155936.db2.gz KRVDTVSCJIJFEJ-DZKIICNBSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001277356474 1302618458 /nfs/dbraw/zinc/61/84/58/1302618458.db2.gz TYQQZLBYBSKIOE-CVEARBPZSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001277356476 1302618591 /nfs/dbraw/zinc/61/85/91/1302618591.db2.gz TYQQZLBYBSKIOE-HZPDHXFCSA-N 2 0 335.467 2.460 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]CCF)Cc1ccccc1 ZINC001277453825 1303171537 /nfs/dbraw/zinc/17/15/37/1303171537.db2.gz CYQQJPOQJXGVFV-SFHVURJKSA-N 2 0 335.467 2.449 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277475210 1303570424 /nfs/dbraw/zinc/57/04/24/1303570424.db2.gz XETRRMOCJZBEQF-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001277763576 1304365131 /nfs/dbraw/zinc/36/51/31/1304365131.db2.gz MZIHWCHHSJLIDU-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP O=C(N1CCC[C@H]1C[NH2+]CCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001277892784 1305024620 /nfs/dbraw/zinc/02/46/20/1305024620.db2.gz WZBZONZAOXSCRD-IBGZPJMESA-N 2 0 341.499 2.438 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001277979077 1305508477 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2.355 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOC(C)C)[C@@H]1C ZINC001264175418 1322648206 /nfs/dbraw/zinc/64/82/06/1322648206.db2.gz JYRBCCOKDJDWBE-SQNIBIBYSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001264683788 1322782629 /nfs/dbraw/zinc/78/26/29/1322782629.db2.gz MASPXKJJAKTHSF-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCCN(C)Cc2nocc2C)C1 ZINC001265025926 1322869401 /nfs/dbraw/zinc/86/94/01/1322869401.db2.gz MRHMTRXKBQUGCT-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2cc(F)ccc2F)C1 ZINC001265037265 1322879399 /nfs/dbraw/zinc/87/93/99/1322879399.db2.gz TUHPWHJWUWHBFN-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1c(C)nsc1C ZINC001265145882 1322947890 /nfs/dbraw/zinc/94/78/90/1322947890.db2.gz DLQRQODXYMNRPG-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCOCc2ccccc2)C1 ZINC001265235634 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2.168 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCc2c1cccc2F ZINC001265954399 1323516804 /nfs/dbraw/zinc/51/68/04/1323516804.db2.gz PUSIWMBAJANMAZ-SFHVURJKSA-N 2 0 345.462 2.347 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H](C[NH2+]CC[C@H](C)F)C2)ccc2c[nH+]cn21 ZINC001265990585 1323549533 /nfs/dbraw/zinc/54/95/33/1323549533.db2.gz RNAIUPDLNIZMAD-ZFWWWQNUSA-N 2 0 332.423 2.443 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001266026734 1323577431 /nfs/dbraw/zinc/57/74/31/1323577431.db2.gz QWMDGGGWDDKWFV-QPGLYAHGSA-N 2 0 329.488 2.480 10 0 EEAERP COCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266063630 1323617577 /nfs/dbraw/zinc/61/75/77/1323617577.db2.gz MATRPGXCCVPUNP-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1cccnc1 ZINC001266203543 1323767284 /nfs/dbraw/zinc/76/72/84/1323767284.db2.gz GKVNSTMJUAQQGS-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(N[C@H]1CCC[N@@H+](CCCCCF)C1)C12CCC[NH+]1CCC2 ZINC001266224929 1323798575 /nfs/dbraw/zinc/79/85/75/1323798575.db2.gz GNTONLLJLHLABL-INIZCTEOSA-N 2 0 325.472 2.335 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266242041 1323830503 /nfs/dbraw/zinc/83/05/03/1323830503.db2.gz YIDBZGLIZARKAQ-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279298139 1323868150 /nfs/dbraw/zinc/86/81/50/1323868150.db2.gz XFRXSNNBXBOMMU-WMZOPIPTSA-N 2 0 335.467 2.447 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001280094404 1324082613 /nfs/dbraw/zinc/08/26/13/1324082613.db2.gz LRKULQQROFRALL-YJBOKZPZSA-N 2 0 348.466 2.033 10 0 EEAERP COC[C@@H](C)[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276634662 1324906443 /nfs/dbraw/zinc/90/64/43/1324906443.db2.gz VRWPMYUSVHDBIW-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)NC2CC(C[NH2+]CCCF)C2)[C@@H](c2ccccc2)C1 ZINC001282056393 1325602037 /nfs/dbraw/zinc/60/20/37/1325602037.db2.gz DMZZSAKXIUVPDA-AWRGBYNESA-N 2 0 347.478 2.176 10 0 EEAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001282307238 1325683517 /nfs/dbraw/zinc/68/35/17/1325683517.db2.gz VDUHYBSDWZBGPH-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)COCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001282627481 1325754580 /nfs/dbraw/zinc/75/45/80/1325754580.db2.gz OSRIBRMNVFYABI-QGZVFWFLSA-N 2 0 339.524 2.019 10 0 EEAERP COCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001282723747 1325772777 /nfs/dbraw/zinc/77/27/77/1325772777.db2.gz AIEKIQCYKSFANB-OAHLLOKOSA-N 2 0 339.524 2.112 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001282929279 1325839032 /nfs/dbraw/zinc/83/90/32/1325839032.db2.gz OXUHCLMJRDFACZ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001283077435 1325911072 /nfs/dbraw/zinc/91/10/72/1325911072.db2.gz DJGRCHAMJXKJIQ-WIYHPRKFSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCCC(F)(F)F ZINC001283681812 1326199423 /nfs/dbraw/zinc/19/94/23/1326199423.db2.gz YZVJFVMMRLSITP-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP COc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283714548 1326215697 /nfs/dbraw/zinc/21/56/97/1326215697.db2.gz NXMOLILGNXQIDV-AEFFLSMTSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001283939433 1326329169 /nfs/dbraw/zinc/32/91/69/1326329169.db2.gz MFHVDRAIGHPARV-AEFFLSMTSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001284373491 1326525863 /nfs/dbraw/zinc/52/58/63/1326525863.db2.gz NRACFLSOUDLZII-KBPBESRZSA-N 2 0 337.430 2.211 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001316633872 1326638206 /nfs/dbraw/zinc/63/82/06/1326638206.db2.gz UQYKOSVGHSHUIA-LNLFQRSKSA-N 2 0 345.487 2.034 10 0 EEAERP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCF)CC1 ZINC001284677762 1326661425 /nfs/dbraw/zinc/66/14/25/1326661425.db2.gz MHEFYROUAFDFOG-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1Cl ZINC001491641597 1330194930 /nfs/dbraw/zinc/19/49/30/1330194930.db2.gz PJGUMJHMGDLMJI-GFCCVEGCSA-N 2 0 339.842 2.169 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C23CCC[NH+]2CCC3)sn1 ZINC001492050150 1330423871 /nfs/dbraw/zinc/42/38/71/1330423871.db2.gz GVFBUTQHUOBOBK-CYBMUJFWSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ncc(Cl)s1 ZINC001492110687 1330479796 /nfs/dbraw/zinc/47/97/96/1330479796.db2.gz OCRRQGHCOSWNRM-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001492082290 1330990411 /nfs/dbraw/zinc/99/04/11/1330990411.db2.gz AJNVVDAZHBYNDW-HZPDHXFCSA-N 2 0 345.487 2.043 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1C[C@@H]1CCCCO1 ZINC001492177498 1331056446 /nfs/dbraw/zinc/05/64/46/1331056446.db2.gz HDZIFEYZYFAOGS-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H](C)Cc2c[nH]cn2)c(C)n1 ZINC001316854108 1331937019 /nfs/dbraw/zinc/93/70/19/1331937019.db2.gz QQXOSIQYEJZPQP-AWEZNQCLSA-N 2 0 343.475 2.238 10 0 EEAERP Cc1ccc(CC[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001316991867 1332033710 /nfs/dbraw/zinc/03/37/10/1332033710.db2.gz SZYKWFDBBINYIJ-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001317091325 1332075311 /nfs/dbraw/zinc/07/53/11/1332075311.db2.gz QHIBVHAEGNJIPL-MGPQQGTHSA-N 2 0 335.414 2.298 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001317174420 1332113642 /nfs/dbraw/zinc/11/36/42/1332113642.db2.gz SIACAFVPGSXYDP-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317333711 1332183442 /nfs/dbraw/zinc/18/34/42/1332183442.db2.gz IUSAYPFNIGKBDQ-SFHVURJKSA-N 2 0 331.504 2.317 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1cccnc1 ZINC001317421822 1332225545 /nfs/dbraw/zinc/22/55/45/1332225545.db2.gz CRSJCMAOTKHPPS-RBUKOAKNSA-N 2 0 344.503 2.427 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cc(C)on1)[NH+](C)C ZINC001317436640 1332239869 /nfs/dbraw/zinc/23/98/69/1332239869.db2.gz ZGBAJTYHUKTLFZ-SJORKVTESA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]([NH2+]CCCCCF)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317679232 1332366988 /nfs/dbraw/zinc/36/69/88/1332366988.db2.gz IEXPZINACYWDDJ-INIZCTEOSA-N 2 0 339.499 2.439 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCOC1CCC1)c1ccccc1 ZINC001317722294 1332388978 /nfs/dbraw/zinc/38/89/78/1332388978.db2.gz QDXGPBYLHGLKPB-RTBURBONSA-N 2 0 345.487 2.097 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001318413276 1332528035 /nfs/dbraw/zinc/52/80/35/1332528035.db2.gz NGWLRYRIAFJZCH-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)co1 ZINC001318930144 1332625912 /nfs/dbraw/zinc/62/59/12/1332625912.db2.gz XKRPISQWYCWKJO-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001320452761 1332887090 /nfs/dbraw/zinc/88/70/90/1332887090.db2.gz BTRULSLAYSBSLS-CJNGLKHVSA-N 2 0 340.899 2.306 10 0 EEAERP COCc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001320524465 1332903021 /nfs/dbraw/zinc/90/30/21/1332903021.db2.gz ZERWILLIVQIQDH-LPHOPBHVSA-N 2 0 347.503 2.302 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cs1 ZINC001320588055 1332916207 /nfs/dbraw/zinc/91/62/07/1332916207.db2.gz QHRWDBVASPAVNR-AWEZNQCLSA-N 2 0 338.521 2.168 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001320777338 1332950664 /nfs/dbraw/zinc/95/06/64/1332950664.db2.gz LQMJRGVNUOJZQE-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001320826375 1332960607 /nfs/dbraw/zinc/96/06/07/1332960607.db2.gz HPEYXCNAGBKOTD-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001321066075 1333009944 /nfs/dbraw/zinc/00/99/44/1333009944.db2.gz ZAWPRHADLRHWGO-KYVUIXNKSA-N 2 0 333.501 2.160 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1cc(F)ccc1F ZINC001321337604 1333078043 /nfs/dbraw/zinc/07/80/43/1333078043.db2.gz PRFRNQKGKWRMBX-HSWBROFVSA-N 2 0 349.425 2.384 10 0 EEAERP O[C@H]1C[NH+](CCCCCCCC[N@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC001321477408 1333111275 /nfs/dbraw/zinc/11/12/75/1333111275.db2.gz KZBATYXKEJYYFJ-ROUUACIJSA-N 2 0 336.520 2.240 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321842106 1333166280 /nfs/dbraw/zinc/16/62/80/1333166280.db2.gz LKKJUDVWBDSBCB-DZGCQCFKSA-N 2 0 338.883 2.202 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001322059012 1333202638 /nfs/dbraw/zinc/20/26/38/1333202638.db2.gz CAONHJSQOSEJKJ-KXBFYZLASA-N 2 0 349.906 2.463 10 0 EEAERP CN(CCC[NH2+]Cc1cncn1C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001322581326 1333287799 /nfs/dbraw/zinc/28/77/99/1333287799.db2.gz PQXNQKUUHSGDLJ-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001322792635 1333327328 /nfs/dbraw/zinc/32/73/28/1333327328.db2.gz KFEYVGIBOBZPKS-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001323659632 1333510679 /nfs/dbraw/zinc/51/06/79/1333510679.db2.gz DBCGHMJOKRNJPV-HQSKLWIPSA-N 2 0 337.508 2.009 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCCOC)C2 ZINC001323817223 1333546317 /nfs/dbraw/zinc/54/63/17/1333546317.db2.gz ZFBDBLVYDUKSLJ-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001324252527 1333643687 /nfs/dbraw/zinc/64/36/87/1333643687.db2.gz SQEZXPAFZVENCM-QGZVFWFLSA-N 2 0 335.467 2.291 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCOC)[NH+](C)C ZINC001324533960 1333703665 /nfs/dbraw/zinc/70/36/65/1333703665.db2.gz XYKPUAPRVQBLLM-FGTMMUONSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001324796906 1333761529 /nfs/dbraw/zinc/76/15/29/1333761529.db2.gz DQTIXZCQWYZKTD-FUHWJXTLSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCOCC(C)C)[NH+](C)C ZINC001325923583 1333996980 /nfs/dbraw/zinc/99/69/80/1333996980.db2.gz VTOHHPZXHQLTID-KURKYZTESA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001326285220 1334059301 /nfs/dbraw/zinc/05/93/01/1334059301.db2.gz CFACTTKFQQDEQZ-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001326290612 1334061187 /nfs/dbraw/zinc/06/11/87/1334061187.db2.gz VHGFVFJCYVJELR-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001326299740 1334062322 /nfs/dbraw/zinc/06/23/22/1334062322.db2.gz ASAQJZNDHDQEBE-AEFFLSMTSA-N 2 0 348.491 2.123 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC001326433772 1334093411 /nfs/dbraw/zinc/09/34/11/1334093411.db2.gz YMGJCDHAZKKBQQ-RTBURBONSA-N 2 0 347.478 2.436 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001326747907 1334153570 /nfs/dbraw/zinc/15/35/70/1334153570.db2.gz KYCROZIYSXDFHA-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2ccccc2)C1 ZINC001326760987 1334156337 /nfs/dbraw/zinc/15/63/37/1334156337.db2.gz ZYCMXNZFBPLCEX-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccccc1 ZINC001328436259 1334458315 /nfs/dbraw/zinc/45/83/15/1334458315.db2.gz HWFPJXDPFKNBSS-KRWDZBQOSA-N 2 0 329.488 2.199 10 0 EEAERP COc1ccc(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001331521631 1335030330 /nfs/dbraw/zinc/03/03/30/1335030330.db2.gz TYLOZUVWHMIYKH-UHFFFAOYSA-N 2 0 329.444 2.363 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001332051572 1335714461 /nfs/dbraw/zinc/71/44/61/1335714461.db2.gz SMFPQFINNWSTMR-CJNGLKHVSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001332051576 1335714595 /nfs/dbraw/zinc/71/45/95/1335714595.db2.gz SMFPQFINNWSTMR-XJKSGUPXSA-N 2 0 336.480 2.102 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CC3CCC3)cc2)CC1 ZINC001620641971 1352361401 /nfs/dbraw/zinc/36/14/01/1352361401.db2.gz BERITFSIOKYXDS-UHFFFAOYSA-N 2 0 344.503 2.499 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668614305 1355972879 /nfs/dbraw/zinc/97/28/79/1355972879.db2.gz SMFKRMKWVKGBNU-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668555896 1355962298 /nfs/dbraw/zinc/96/22/98/1355962298.db2.gz YQXBMGZOXRMENP-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001500381577 1342183954 /nfs/dbraw/zinc/18/39/54/1342183954.db2.gz ARYFJEFUSUXCFX-CRAIPNDOSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001500392927 1342185289 /nfs/dbraw/zinc/18/52/89/1342185289.db2.gz JDMGPGALEXIKGF-WMZOPIPTSA-N 2 0 327.488 2.296 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](CC3CCC3)CCC2(F)F)CCC1 ZINC001500611231 1342186390 /nfs/dbraw/zinc/18/63/90/1342186390.db2.gz PGRDWYNCLTYVKF-OAHLLOKOSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566879330 1342646864 /nfs/dbraw/zinc/64/68/64/1342646864.db2.gz JVXVEIFVBQVREY-DLBZAZTESA-N 2 0 347.507 2.098 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001567148743 1342701659 /nfs/dbraw/zinc/70/16/59/1342701659.db2.gz URUDVZAQMMNUGH-HOTGVXAUSA-N 2 0 335.517 2.071 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001567172113 1342704166 /nfs/dbraw/zinc/70/41/66/1342704166.db2.gz GDFGYVOWSFKBHW-ROUUACIJSA-N 2 0 347.503 2.343 10 0 EEAERP COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001569440287 1342870556 /nfs/dbraw/zinc/87/05/56/1342870556.db2.gz DBYNKVXOBYIAEZ-ZNXRZULTSA-N 2 0 337.508 2.009 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001569526073 1342892570 /nfs/dbraw/zinc/89/25/70/1342892570.db2.gz DHDJKPVPWIUAQB-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCOCC1 ZINC001569736030 1342936532 /nfs/dbraw/zinc/93/65/32/1342936532.db2.gz NSDFDEZDAHSSPN-UHFFFAOYSA-N 2 0 347.503 2.417 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009525 1342998194 /nfs/dbraw/zinc/99/81/94/1342998194.db2.gz IOLPKAXRQSMGSX-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001571506052 1343222122 /nfs/dbraw/zinc/22/21/22/1343222122.db2.gz ZLZJGBIIVUOCQP-HKUYNNGSSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001676244121 1357126239 /nfs/dbraw/zinc/12/62/39/1357126239.db2.gz PGSAXCVYNVPUKQ-IXOIZCCFSA-N 2 0 327.900 2.296 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C)o1 ZINC001676693333 1357181694 /nfs/dbraw/zinc/18/16/94/1357181694.db2.gz LSCSFFRBGDGHOX-QAPCUYQASA-N 2 0 348.491 2.328 10 0 EEAERP COc1ccccc1CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757022 1357195088 /nfs/dbraw/zinc/19/50/88/1357195088.db2.gz UZVCRIPNOUAWJC-WMZOPIPTSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)(CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC001645892683 1352807532 /nfs/dbraw/zinc/80/75/32/1352807532.db2.gz JIYGVPWVGSJUMU-QZTJIDSGSA-N 2 0 329.488 2.457 10 0 EEAERP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCO2)ccn1 ZINC001647253056 1353208037 /nfs/dbraw/zinc/20/80/37/1353208037.db2.gz TVQLLOSGTWMYBV-SPOLIRPYSA-N 2 0 331.460 2.048 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001649439910 1353506290 /nfs/dbraw/zinc/50/62/90/1353506290.db2.gz JKZSJQITDXSPMY-TWVNLXSWSA-N 2 0 329.488 2.480 10 0 EEAERP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001650014786 1353688618 /nfs/dbraw/zinc/68/86/18/1353688618.db2.gz IOSMQJKFKHCWAT-VIYLOZMYSA-N 2 0 331.464 2.078 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001660414075 1354460787 /nfs/dbraw/zinc/46/07/87/1354460787.db2.gz QHKKTIZLQVMLAG-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001661723389 1354681693 /nfs/dbraw/zinc/68/16/93/1354681693.db2.gz LGEHVCOZYUINFQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001661783676 1354696431 /nfs/dbraw/zinc/69/64/31/1354696431.db2.gz ZCIBISORBODXOG-QLFBSQMISA-N 2 0 349.441 2.497 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001661807626 1354700818 /nfs/dbraw/zinc/70/08/18/1354700818.db2.gz DHDGVIMWSLFNEC-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001661866706 1354713515 /nfs/dbraw/zinc/71/35/15/1354713515.db2.gz SHQWLANDBHYPNO-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001661946863 1354727407 /nfs/dbraw/zinc/72/74/07/1354727407.db2.gz NRNFJDZKRVSSAW-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001662319509 1354780221 /nfs/dbraw/zinc/78/02/21/1354780221.db2.gz JRLJPEDJNIILJZ-NWDGAFQWSA-N 2 0 336.307 2.006 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001662351480 1354785109 /nfs/dbraw/zinc/78/51/09/1354785109.db2.gz WJSUWJJFSCUAEH-IEBWSBKVSA-N 2 0 347.503 2.423 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685610 1354825883 /nfs/dbraw/zinc/82/58/83/1354825883.db2.gz MNBQUOFZLQJSIK-SJLPKXTDSA-N 2 0 349.544 2.461 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001662733928 1354834445 /nfs/dbraw/zinc/83/44/45/1354834445.db2.gz YFMLOVWUUAHAKV-WHWKNOJMSA-N 2 0 327.900 2.443 10 0 EEAERP CCCCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001662855683 1354865660 /nfs/dbraw/zinc/86/56/60/1354865660.db2.gz FMDOQZGPNNXRSO-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)ccc1C ZINC001663995811 1355070521 /nfs/dbraw/zinc/07/05/21/1355070521.db2.gz ORSAJLVMFKQXCZ-SFHVURJKSA-N 2 0 335.492 2.138 10 0 EEAERP COCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457928 1355169343 /nfs/dbraw/zinc/16/93/43/1355169343.db2.gz WLTGMVIJXNVJPE-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCOC)CC1 ZINC001664467480 1355171441 /nfs/dbraw/zinc/17/14/41/1355171441.db2.gz MKAAOZCFWATZEE-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001665072084 1355271932 /nfs/dbraw/zinc/27/19/32/1355271932.db2.gz YWFXODKIFYNZIN-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001665660182 1355351186 /nfs/dbraw/zinc/35/11/86/1355351186.db2.gz XMDIARYZLCZODJ-ULQDDVLXSA-N 2 0 327.488 2.389 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001666110282 1355454008 /nfs/dbraw/zinc/45/40/08/1355454008.db2.gz GEDSWOIEUFJSHI-IEBWSBKVSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)cs1 ZINC001666240425 1355493094 /nfs/dbraw/zinc/49/30/94/1355493094.db2.gz NIGGSPRGLJDRPL-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+]1CCC(CC(=O)NCc2ccc(C[NH2+]CCCF)cc2)CC1 ZINC001666344005 1355514281 /nfs/dbraw/zinc/51/42/81/1355514281.db2.gz AMWOVGKEEHGLRC-UHFFFAOYSA-N 2 0 335.467 2.484 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001666922068 1355615427 /nfs/dbraw/zinc/61/54/27/1355615427.db2.gz XTSWQCGHNWSIHP-KRWDZBQOSA-N 2 0 331.504 2.458 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001667257099 1355689656 /nfs/dbraw/zinc/68/96/56/1355689656.db2.gz BAHFHHVUHZWLRY-OALUTQOASA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001667584440 1355764581 /nfs/dbraw/zinc/76/45/81/1355764581.db2.gz AIKMOGNNFBMEID-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl)C12CCC[NH+]1CCC2 ZINC001667734715 1355802094 /nfs/dbraw/zinc/80/20/94/1355802094.db2.gz QRHGLMWPFCISNG-PVCXWLERSA-N 2 0 325.884 2.242 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112124 1355873486 /nfs/dbraw/zinc/87/34/86/1355873486.db2.gz ATQOXUVDHGNAGD-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001668107604 1355873560 /nfs/dbraw/zinc/87/35/60/1355873560.db2.gz UVUHLCDDHHCJFL-HNNXBMFYSA-N 2 0 348.491 2.097 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668426643 1355938834 /nfs/dbraw/zinc/93/88/34/1355938834.db2.gz NNGRVDJJTBTTMX-KRWDZBQOSA-N 2 0 336.480 2.048 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001668619344 1355973590 /nfs/dbraw/zinc/97/35/90/1355973590.db2.gz KVLUIHFZNVWPRG-UHFFFAOYSA-N 2 0 335.879 2.374 10 0 EEAERP O=C(NC/C=C\C[NH2+]C/C=C/Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865550 1356028444 /nfs/dbraw/zinc/02/84/44/1356028444.db2.gz ZVFABVNPJLFELH-NCCCJHIFSA-N 2 0 325.884 2.408 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668887470 1356035717 /nfs/dbraw/zinc/03/57/17/1356035717.db2.gz LLABOIGVNVAPKR-LAQIPUCWSA-N 2 0 349.450 2.081 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC/C=C\c1ccccc1 ZINC001668978641 1356060160 /nfs/dbraw/zinc/06/01/60/1356060160.db2.gz LJRKYOGXIKWCME-XAHYSCCBSA-N 2 0 327.472 2.446 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001670144378 1356284956 /nfs/dbraw/zinc/28/49/56/1356284956.db2.gz NJWPKSXVZYZITH-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CCCCCF)CC1 ZINC001671360032 1356331948 /nfs/dbraw/zinc/33/19/48/1356331948.db2.gz WXAJDQSQRRZPSE-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]C/C=C\c2ccccc2)C1 ZINC001671779969 1356413029 /nfs/dbraw/zinc/41/30/29/1356413029.db2.gz ONBNXKIOWRUCKC-ROFLEHJCSA-N 2 0 329.488 2.480 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCCCF)C1 ZINC001671897511 1356434608 /nfs/dbraw/zinc/43/46/08/1356434608.db2.gz KROHSIOKMOPYRP-SJLPKXTDSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001673904470 1356757835 /nfs/dbraw/zinc/75/78/35/1356757835.db2.gz KJPYPCFTYGJMQI-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001674457828 1356838125 /nfs/dbraw/zinc/83/81/25/1356838125.db2.gz NYTZNWSBIWCFIU-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001675153887 1356939961 /nfs/dbraw/zinc/93/99/61/1356939961.db2.gz WWZDMZQODRUTEW-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP COc1cc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001699259582 1405300692 /nfs/dbraw/zinc/30/06/92/1405300692.db2.gz DYXQIGAPESGQID-AATRIKPKSA-N 2 0 345.487 2.250 10 0 EEAERP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001699279237 1405311313 /nfs/dbraw/zinc/31/13/13/1405311313.db2.gz WQSIZJPMBRCFME-CWDCEQMOSA-N 2 0 330.476 2.144 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699366703 1405342344 /nfs/dbraw/zinc/34/23/44/1405342344.db2.gz SKNBNWYGHORCPX-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H](C(=O)N1CCC([N@@H+](CC=C(C)C)CCOC)CC1)[NH+](C)C ZINC001699690027 1405444526 /nfs/dbraw/zinc/44/45/26/1405444526.db2.gz LOZYHCGIEDKESC-SFHVURJKSA-N 2 0 339.524 2.232 10 0 EEAERP C[C@H]1C[N@H+](CCSc2ccncc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930135906 770830111 /nfs/dbraw/zinc/83/01/11/770830111.db2.gz HNAFWPBRVRTXPQ-WMZOPIPTSA-N 2 0 334.533 2.132 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ccncc2Br)C[C@H]1C[NH+](C)C ZINC000706001929 784886480 /nfs/dbraw/zinc/88/64/80/784886480.db2.gz MMUQFWWSGQIJGP-CHWSQXEVSA-N 2 0 341.297 2.020 10 0 EEAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000907880634 784931981 /nfs/dbraw/zinc/93/19/81/784931981.db2.gz AJWPVYKLZYHHNK-LJQANCHMSA-N 2 0 340.427 2.032 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000817924383 785076202 /nfs/dbraw/zinc/07/62/02/785076202.db2.gz WCWBCSSRIMVFPT-IAGOWNOFSA-N 2 0 333.476 2.061 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cn1 ZINC000820813072 786465606 /nfs/dbraw/zinc/46/56/06/786465606.db2.gz YGDPHJAJPNKAEY-UNPWZGGWSA-N 2 0 329.492 2.136 10 0 EEAERP [NH3+]CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923277131 789279935 /nfs/dbraw/zinc/27/99/35/789279935.db2.gz KUFCHFMTMXGGRF-GFCCVEGCSA-N 2 0 333.259 2.404 10 0 EEAERP COc1cc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)ccc1OC(F)F ZINC000923296750 789329361 /nfs/dbraw/zinc/32/93/61/789329361.db2.gz BWFXGABSIJTFBN-CYBMUJFWSA-N 2 0 342.386 2.107 10 0 EEAERP C[N@@H+](Cc1csc(Br)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923310183 789366898 /nfs/dbraw/zinc/36/68/98/789366898.db2.gz SBDAUMJZTCANSY-LLVKDONJSA-N 2 0 331.279 2.321 10 0 EEAERP C(C[NH+]1CCC(c2nnc3n2CCC3)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923321634 789378509 /nfs/dbraw/zinc/37/85/09/789378509.db2.gz GQXDJYVEQYCKNU-ZXFUBFMLSA-N 2 0 329.492 2.324 10 0 EEAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923390082 789475158 /nfs/dbraw/zinc/47/51/58/789475158.db2.gz AZYRBLHVSSJFSD-XFKSJGNHSA-N 2 0 348.487 2.096 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@@H]1C[NH3+] ZINC000923497863 789673320 /nfs/dbraw/zinc/67/33/20/789673320.db2.gz MUEZTWCGKMLFNQ-HZPDHXFCSA-N 2 0 330.476 2.142 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@@H]1C[NH3+] ZINC000923497864 789673798 /nfs/dbraw/zinc/67/37/98/789673798.db2.gz MUEZTWCGKMLFNQ-JKSUJKDBSA-N 2 0 330.476 2.142 10 0 EEAERP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498122 789674753 /nfs/dbraw/zinc/67/47/53/789674753.db2.gz JMOGCFPJFWJCMC-ILXRZTDVSA-N 2 0 347.459 2.092 10 0 EEAERP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC000923511120 789697660 /nfs/dbraw/zinc/69/76/60/789697660.db2.gz ZHBPAPUPSFMMNS-NWDGAFQWSA-N 2 0 325.840 2.204 10 0 EEAERP C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CCN1c1cc[nH+]cc1 ZINC000915279701 795803482 /nfs/dbraw/zinc/80/34/82/795803482.db2.gz XTBBSGHQROZEMK-INIZCTEOSA-N 2 0 339.443 2.040 10 0 EEAERP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1[nH]nc3ccccc31)C2 ZINC000922386398 800944277 /nfs/dbraw/zinc/94/42/77/800944277.db2.gz HCZVMAWNVNJILH-OQIJWPOYSA-N 2 0 328.460 2.132 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001565971440 1125478019 /nfs/dbraw/zinc/47/80/19/1125478019.db2.gz ZQKUKYQWDQUXMC-IKWJZDHZSA-N 2 0 327.900 2.440 10 0 EEAERP CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001566139070 1125586776 /nfs/dbraw/zinc/58/67/76/1125586776.db2.gz HMGLFQRKSIJEEC-RBUKOAKNSA-N 2 0 347.503 2.331 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C[C@@H]1CCCCO1 ZINC001566562849 1125737176 /nfs/dbraw/zinc/73/71/76/1125737176.db2.gz LGWPRVANVQKXMJ-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001436502711 1088032929 /nfs/dbraw/zinc/03/29/29/1088032929.db2.gz YOLSIKYDNREFSS-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1)OC ZINC001436972557 1088665700 /nfs/dbraw/zinc/66/57/00/1088665700.db2.gz SDTQDIJJEAPQTO-KSZLIROESA-N 2 0 333.476 2.024 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437162323 1089173694 /nfs/dbraw/zinc/17/36/94/1089173694.db2.gz ZYAOSAVXKYTLJK-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001437256926 1089388949 /nfs/dbraw/zinc/38/89/49/1089388949.db2.gz BLDBGSXLGUHNLQ-TZMCWYRMSA-N 2 0 343.393 2.251 10 0 EEAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1cncc(F)c1 ZINC001437258304 1089394671 /nfs/dbraw/zinc/39/46/71/1089394671.db2.gz AIVQKDCGMXAXCL-AWEZNQCLSA-N 2 0 344.434 2.190 10 0 EEAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1cncc(F)c1 ZINC001437258307 1089395276 /nfs/dbraw/zinc/39/52/76/1089395276.db2.gz AIVQKDCGMXAXCL-CQSZACIVSA-N 2 0 344.434 2.190 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nocc2C)C1)[NH+](CC)CC ZINC001437313789 1089473788 /nfs/dbraw/zinc/47/37/88/1089473788.db2.gz QXOFJCFSKCPQRV-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001437723950 1090277395 /nfs/dbraw/zinc/27/73/95/1090277395.db2.gz GGSCZDYJXMPCLY-IEBWSBKVSA-N 2 0 329.488 2.275 10 0 EEAERP CN(CC[NH2+][C@@H]1CCc2c1cccc2Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001437835217 1090421828 /nfs/dbraw/zinc/42/18/28/1090421828.db2.gz CLHLRQYDRUKTJX-QGZVFWFLSA-N 2 0 347.890 2.471 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1)[NH+](C)C ZINC001438209063 1090695309 /nfs/dbraw/zinc/69/53/09/1090695309.db2.gz CTSZWJVFGDQAHV-KFWWJZLASA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001438250855 1090734496 /nfs/dbraw/zinc/73/44/96/1090734496.db2.gz WLQCOGATADWQBL-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001438313277 1090792455 /nfs/dbraw/zinc/79/24/55/1090792455.db2.gz QMNPSGFJYAGOHI-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438370256 1090847562 /nfs/dbraw/zinc/84/75/62/1090847562.db2.gz GJEURCFPZNBCAN-AEFFLSMTSA-N 2 0 349.523 2.323 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)cn1 ZINC001438405996 1090893115 /nfs/dbraw/zinc/89/31/15/1090893115.db2.gz WFMDHSDENBHISE-INIZCTEOSA-N 2 0 347.507 2.206 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001438495025 1090992500 /nfs/dbraw/zinc/99/25/00/1090992500.db2.gz WDKMQZWCIZMVEA-MGPUTAFESA-N 2 0 343.515 2.487 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001445400179 1091147748 /nfs/dbraw/zinc/14/77/48/1091147748.db2.gz GNNJXUYTHLKJRV-AEFFLSMTSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001438706942 1091219973 /nfs/dbraw/zinc/21/99/73/1091219973.db2.gz FCSBYONZDCEVEW-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001438754587 1091316067 /nfs/dbraw/zinc/31/60/67/1091316067.db2.gz PEHKDYNBUOQSFM-DLBZAZTESA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccncc1Cl ZINC001438837324 1091464579 /nfs/dbraw/zinc/46/45/79/1091464579.db2.gz GCFSDJVNUHLIJO-MRXNPFEDSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CC[NH2+][C@@H](C)c1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001439051012 1091697674 /nfs/dbraw/zinc/69/76/74/1091697674.db2.gz ASKWLZBRYPVJID-OLZOCXBDSA-N 2 0 327.419 2.462 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001445893957 1091821868 /nfs/dbraw/zinc/82/18/68/1091821868.db2.gz IJFKTUOKEHOIKL-MOPGFXCFSA-N 2 0 346.519 2.415 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001439241187 1091890216 /nfs/dbraw/zinc/89/02/16/1091890216.db2.gz CWCOTHTVLBRCHP-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001445986302 1091953182 /nfs/dbraw/zinc/95/31/82/1091953182.db2.gz CIHQBKNZQUSBKL-MJGOQNOKSA-N 2 0 329.488 2.321 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001439323621 1092000138 /nfs/dbraw/zinc/00/01/38/1092000138.db2.gz HEFVCFREZRFIKW-DZGCQCFKSA-N 2 0 338.521 2.261 10 0 EEAERP COc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001439397637 1092151247 /nfs/dbraw/zinc/15/12/47/1092151247.db2.gz IGDPNKRTOZXJAS-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439401381 1092158109 /nfs/dbraw/zinc/15/81/09/1092158109.db2.gz BGZPFWPHSRZTMN-DKVQLLHESA-N 2 0 329.488 2.478 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001439415996 1092184825 /nfs/dbraw/zinc/18/48/25/1092184825.db2.gz FYVSPKDUCOXHSG-DOTOQJQBSA-N 2 0 348.491 2.089 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001439530584 1092384852 /nfs/dbraw/zinc/38/48/52/1092384852.db2.gz BARXAKGVDBECEV-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCc3ccccc3)CC2)CC[N@@H+]1C ZINC001439640030 1092563226 /nfs/dbraw/zinc/56/32/26/1092563226.db2.gz OLCHRGLZRPIVMK-WMZOPIPTSA-N 2 0 329.488 2.198 10 0 EEAERP Cc1cccnc1C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439698153 1092650956 /nfs/dbraw/zinc/65/09/56/1092650956.db2.gz CUZPKGOIHFYAID-FQEVSTJZSA-N 2 0 344.503 2.156 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](Cc1ocnc1C)CC2 ZINC001439711675 1092671027 /nfs/dbraw/zinc/67/10/27/1092671027.db2.gz YIIZSUCBYSXSBH-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(COC)cc2)C1 ZINC001439857712 1092885194 /nfs/dbraw/zinc/88/51/94/1092885194.db2.gz XGKTYFRIWOQDEY-FQEVSTJZSA-N 2 0 347.503 2.255 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCOCC2)c(C)c1 ZINC001439965578 1093079233 /nfs/dbraw/zinc/07/92/33/1093079233.db2.gz IHWHKZSOMUYIPF-UHFFFAOYSA-N 2 0 347.503 2.010 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001440133607 1093199102 /nfs/dbraw/zinc/19/91/02/1093199102.db2.gz GDCVZUAOZLIWNX-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001440245292 1093336461 /nfs/dbraw/zinc/33/64/61/1093336461.db2.gz WJYJIYLOESUCIO-UHFFFAOYSA-N 2 0 325.472 2.146 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001440318738 1093453636 /nfs/dbraw/zinc/45/36/36/1093453636.db2.gz KQZMICXKGAHJHQ-RHNCMZPLSA-N 2 0 348.466 2.081 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2C1 ZINC001448466122 1093477581 /nfs/dbraw/zinc/47/75/81/1093477581.db2.gz DLYWCJOQRFEHTE-IXDOHACOSA-N 2 0 349.544 2.459 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001440360644 1093522615 /nfs/dbraw/zinc/52/26/15/1093522615.db2.gz GDJKQRGLDVLKRP-JCNLHEQBSA-N 2 0 333.451 2.214 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001448613778 1093681054 /nfs/dbraw/zinc/68/10/54/1093681054.db2.gz DKSMSDOMQSSSKY-GOEBONIOSA-N 2 0 343.462 2.344 10 0 EEAERP CC[C@@H](C[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)OC ZINC001440470393 1093697090 /nfs/dbraw/zinc/69/70/90/1093697090.db2.gz GPWUCHOYOHZJTA-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC1([NH2+]Cc2ncc(C)o2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001440516199 1093765218 /nfs/dbraw/zinc/76/52/18/1093765218.db2.gz KHTNWWCKYJPJLZ-HZPDHXFCSA-N 2 0 348.491 2.184 10 0 EEAERP CCC1([NH2+]C/C=C\Cl)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001440534966 1093797376 /nfs/dbraw/zinc/79/73/76/1093797376.db2.gz WTEANHYZDJMKBR-YHYXMXQVSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001448764053 1093837461 /nfs/dbraw/zinc/83/74/61/1093837461.db2.gz OEHBXQNSJUBIQF-SUMWQHHRSA-N 2 0 341.446 2.488 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001440710869 1093957794 /nfs/dbraw/zinc/95/77/94/1093957794.db2.gz DUTQVJWMWFLAJN-BHBDMTODSA-N 2 0 334.291 2.370 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440813270 1094065741 /nfs/dbraw/zinc/06/57/41/1094065741.db2.gz CREUTJMYKHSUBQ-KGLIPLIRSA-N 2 0 336.480 2.094 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440844147 1094101789 /nfs/dbraw/zinc/10/17/89/1094101789.db2.gz VYOFQNPBAIAHPA-CVEARBPZSA-N 2 0 349.519 2.140 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001440928203 1094180074 /nfs/dbraw/zinc/18/00/74/1094180074.db2.gz WUNDEGQSMOSGAR-FRQCXROJSA-N 2 0 346.519 2.029 10 0 EEAERP CC(C)N(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)[C@@H]1CCC[NH+]1C ZINC001449256703 1094205515 /nfs/dbraw/zinc/20/55/15/1094205515.db2.gz GFTXPAJJHBPZEC-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001441002421 1094274206 /nfs/dbraw/zinc/27/42/06/1094274206.db2.gz MYASRLXJOYVEMM-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](Cc3cnc(C)o3)CC2)CC1 ZINC001449407018 1094389012 /nfs/dbraw/zinc/38/90/12/1094389012.db2.gz CSFVBTDXLDZFLV-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1)OC ZINC001441106891 1094416957 /nfs/dbraw/zinc/41/69/57/1094416957.db2.gz POKQFWZCRSYJJZ-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CCc2ccccc2)CC1(C)C ZINC001441258518 1094657129 /nfs/dbraw/zinc/65/71/29/1094657129.db2.gz RWUMLBWJMNYMHA-SFHVURJKSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001441291950 1094726989 /nfs/dbraw/zinc/72/69/89/1094726989.db2.gz FQFLPPSGCDMTKL-HXUWFJFHSA-N 2 0 343.515 2.500 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001441322542 1094778292 /nfs/dbraw/zinc/77/82/92/1094778292.db2.gz OWCHYRHUMPKCGM-NNZMDNLPSA-N 2 0 333.520 2.201 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441536161 1095249001 /nfs/dbraw/zinc/24/90/01/1095249001.db2.gz HXYFDADUOIJSLK-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001441551309 1095281186 /nfs/dbraw/zinc/28/11/86/1095281186.db2.gz XXORIWPAIVHMDC-WMLDXEAASA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001441585887 1095405572 /nfs/dbraw/zinc/40/55/72/1095405572.db2.gz LRQVNNMTYBFRDJ-ZBFHGGJFSA-N 2 0 336.480 2.182 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001441761667 1095758168 /nfs/dbraw/zinc/75/81/68/1095758168.db2.gz UICQHISPIYNDDH-JCYILVPMSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2F)C[C@@H]1C ZINC001441824744 1095868483 /nfs/dbraw/zinc/86/84/83/1095868483.db2.gz BGCPFWRBLCJKOB-DZGCQCFKSA-N 2 0 339.430 2.384 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001441889623 1096025348 /nfs/dbraw/zinc/02/53/48/1096025348.db2.gz ZEVHLXNGZWJGIF-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001441934311 1096124477 /nfs/dbraw/zinc/12/44/77/1096124477.db2.gz OGFDJGICGZXESP-CQSZACIVSA-N 2 0 331.451 2.200 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1conc1C)c1ccccc1 ZINC001442021578 1096228657 /nfs/dbraw/zinc/22/86/57/1096228657.db2.gz QSJOWERCWVMCNI-KBXCAEBGSA-N 2 0 344.459 2.270 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001442153760 1096407054 /nfs/dbraw/zinc/40/70/54/1096407054.db2.gz VWKKJQVBICBLLR-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001442249271 1096550056 /nfs/dbraw/zinc/55/00/56/1096550056.db2.gz BVOAOBHLDSREAM-APWZRJJASA-N 2 0 329.488 2.321 10 0 EEAERP CC[C@H](C[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1)OC ZINC001442265891 1096570571 /nfs/dbraw/zinc/57/05/71/1096570571.db2.gz GXCGMCSJPKOBDH-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001442750168 1097126504 /nfs/dbraw/zinc/12/65/04/1097126504.db2.gz JSXPZOAEWCDKKA-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001442864812 1097258414 /nfs/dbraw/zinc/25/84/14/1097258414.db2.gz NUKHYOLBUVCWPB-NVXWUHKLSA-N 2 0 348.491 2.050 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1nc(C)cs1 ZINC001443939800 1098459604 /nfs/dbraw/zinc/45/96/04/1098459604.db2.gz OITLYMOLNZELGK-SOUVJXGZSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOc2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001479636989 1098664329 /nfs/dbraw/zinc/66/43/29/1098664329.db2.gz NYMDWDADQUFTEY-IPMKNSEASA-N 2 0 347.503 2.375 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC(C)C ZINC001479647561 1098677032 /nfs/dbraw/zinc/67/70/32/1098677032.db2.gz TXRCSSKIPFUTIT-RCCFBDPRSA-N 2 0 339.524 2.255 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001479860441 1099171482 /nfs/dbraw/zinc/17/14/82/1099171482.db2.gz HAQJHBBIURNHEV-SFHVURJKSA-N 2 0 342.487 2.448 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CC2CC3(CCC3)C2)C2CC2)C1 ZINC001479879301 1099244728 /nfs/dbraw/zinc/24/47/28/1099244728.db2.gz CRZXWKYULXFPHQ-KRWDZBQOSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CCCC2)o1 ZINC001444540739 1099321256 /nfs/dbraw/zinc/32/12/56/1099321256.db2.gz ZSTQRTMTPNOKCQ-HUUCEWRRSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC2CC3(CCC3)C2)C2CC2)CC[N@@H+]1C ZINC001480022472 1099502809 /nfs/dbraw/zinc/50/28/09/1099502809.db2.gz XTJBJFBMYAZTRD-ZTFGCOKTSA-N 2 0 333.520 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC001444833230 1099784249 /nfs/dbraw/zinc/78/42/49/1099784249.db2.gz DCNIPSXUSYVNLB-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001444928878 1100027289 /nfs/dbraw/zinc/02/72/89/1100027289.db2.gz JLIWKBMACHLBNY-UXHICEINSA-N 2 0 343.515 2.357 10 0 EEAERP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1)c1cnc[nH]1 ZINC001480364648 1100138517 /nfs/dbraw/zinc/13/85/17/1100138517.db2.gz ACBPPUMSZBIDKY-JKSUJKDBSA-N 2 0 348.491 2.085 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)nc1C ZINC001445083615 1100296925 /nfs/dbraw/zinc/29/69/25/1100296925.db2.gz KDNPDNQELNOEQH-IBGZPJMESA-N 2 0 346.519 2.463 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480536341 1100365050 /nfs/dbraw/zinc/36/50/50/1100365050.db2.gz FNHXKYTVEZITPD-JKSUJKDBSA-N 2 0 340.471 2.171 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1nc(C)cs1 ZINC001495133882 1100801519 /nfs/dbraw/zinc/80/15/19/1100801519.db2.gz CRPBAEAEHKJBJF-LSDHHAIUSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001496247676 1100816481 /nfs/dbraw/zinc/81/64/81/1100816481.db2.gz GNCZTHXDPMJWTP-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccns1)C1CCCCC1 ZINC001496321768 1100916328 /nfs/dbraw/zinc/91/63/28/1100916328.db2.gz XGMNJIVCCGVNQY-MRXNPFEDSA-N 2 0 338.521 2.250 10 0 EEAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CCCCC1 ZINC001496325651 1100921395 /nfs/dbraw/zinc/92/13/95/1100921395.db2.gz JFXRAXOPQLDHRC-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001446496255 1100940759 /nfs/dbraw/zinc/94/07/59/1100940759.db2.gz QLMDXVATRBVBSJ-INIZCTEOSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001496349539 1100944050 /nfs/dbraw/zinc/94/40/50/1100944050.db2.gz CWUPNGLHDPLGEF-WMZOPIPTSA-N 2 0 349.519 2.011 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001496358213 1100951430 /nfs/dbraw/zinc/95/14/30/1100951430.db2.gz OOVAILCJSISZKD-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]Cc2ccccn2)C2CCCC2)C1 ZINC001446504497 1100953782 /nfs/dbraw/zinc/95/37/82/1100953782.db2.gz XUHMYVGMCNDDAZ-QFBILLFUSA-N 2 0 344.503 2.188 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001495383969 1101104187 /nfs/dbraw/zinc/10/41/87/1101104187.db2.gz ALVVXZWNYXYPSB-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001496534708 1101134455 /nfs/dbraw/zinc/13/44/55/1101134455.db2.gz PXQDPZFFXNZYOT-SJORKVTESA-N 2 0 339.430 2.289 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495431893 1101150319 /nfs/dbraw/zinc/15/03/19/1101150319.db2.gz CVIRBERMONEOMD-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC001495506995 1101220543 /nfs/dbraw/zinc/22/05/43/1101220543.db2.gz ATXPURHMPIXNNX-IBGZPJMESA-N 2 0 347.503 2.302 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(F)(F)CC1 ZINC001496643631 1101247875 /nfs/dbraw/zinc/24/78/75/1101247875.db2.gz PAIGHXSGYLZXAA-CVEARBPZSA-N 2 0 345.478 2.494 10 0 EEAERP Cc1c(C(=O)N(C)CC[N@H+](C)CCOCC2CC2)ccc2c[nH+]cn21 ZINC001496733552 1101363209 /nfs/dbraw/zinc/36/32/09/1101363209.db2.gz LACWGVMKJHIYHI-UHFFFAOYSA-N 2 0 344.459 2.073 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001495669401 1101411128 /nfs/dbraw/zinc/41/11/28/1101411128.db2.gz WLHSETACUFOHRZ-BBRMVZONSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@@H](C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)OC ZINC001496780507 1101454323 /nfs/dbraw/zinc/45/43/23/1101454323.db2.gz FKWIXCOYIBDCKF-MAUKXSAKSA-N 2 0 345.503 2.014 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001496886058 1101666748 /nfs/dbraw/zinc/66/67/48/1101666748.db2.gz DMGSTMDYOOLQAN-TZMCWYRMSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497219442 1102143631 /nfs/dbraw/zinc/14/36/31/1102143631.db2.gz AVNGNYRYDNMTIU-ZBFHGGJFSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CC[NH2+]CCc1cccs1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219788 1102144168 /nfs/dbraw/zinc/14/41/68/1102144168.db2.gz KQUXGFWWTWOWHK-OAHLLOKOSA-N 2 0 335.517 2.403 10 0 EEAERP C[C@H](CC[NH2+]CCOC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497323984 1102325520 /nfs/dbraw/zinc/32/55/20/1102325520.db2.gz RNPLCSFDRNHUJU-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001497442850 1102496680 /nfs/dbraw/zinc/49/66/80/1102496680.db2.gz XJQYVBWIQMJYLN-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001447356514 1102519690 /nfs/dbraw/zinc/51/96/90/1102519690.db2.gz WMQHHCLVHBGXDL-ZWKOTPCHSA-N 2 0 348.491 2.280 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001497585712 1102703192 /nfs/dbraw/zinc/70/31/92/1102703192.db2.gz NCRXKLQLADMDHI-QYIDVODDSA-N 2 0 329.435 2.024 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447631661 1103000334 /nfs/dbraw/zinc/00/03/34/1103000334.db2.gz IPEBGARGUXYLEW-SWLSCSKDSA-N 2 0 338.521 2.181 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497835497 1103167153 /nfs/dbraw/zinc/16/71/53/1103167153.db2.gz BMKJUMVODDFDAI-GPMSIDNRSA-N 2 0 331.504 2.226 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497889157 1103265243 /nfs/dbraw/zinc/26/52/43/1103265243.db2.gz CVGJCCSLYRGGLH-QPSCCSFWSA-N 2 0 331.451 2.246 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)NC(=O)CCC[NH+](C)C ZINC001497895316 1103274485 /nfs/dbraw/zinc/27/44/85/1103274485.db2.gz OSPAGFCTZKPSQU-WBMJQRKESA-N 2 0 339.430 2.388 10 0 EEAERP Cc1nc(C[NH2+]CC2CC(NC(=O)CCC[NH+](C)C)C2)sc1C ZINC001447805690 1103367453 /nfs/dbraw/zinc/36/74/53/1103367453.db2.gz PYAFDTUWVSYEAW-UHFFFAOYSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494048973 1103425909 /nfs/dbraw/zinc/42/59/09/1103425909.db2.gz UHABPKGZBVRKBH-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC001447908423 1103569315 /nfs/dbraw/zinc/56/93/15/1103569315.db2.gz AYAITKVGGIXJHW-VXGBXAGGSA-N 2 0 326.510 2.085 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001447915632 1103586794 /nfs/dbraw/zinc/58/67/94/1103586794.db2.gz XIUUBMCLLSSUIV-CVEARBPZSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@H](C(=O)NC1(C[NH2+]C[C@H](C)O)CCCCC1)[NH+]1CCCCCC1 ZINC001448224537 1104210845 /nfs/dbraw/zinc/21/08/45/1104210845.db2.gz KKHYJJDXKIBNOU-DLBZAZTESA-N 2 0 339.524 2.040 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCc2ccccc2)C1 ZINC001448322929 1104391829 /nfs/dbraw/zinc/39/18/29/1104391829.db2.gz TUTVNZNDARKITN-DLBZAZTESA-N 2 0 329.488 2.007 10 0 EEAERP Cc1ncccc1C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001448331885 1104408536 /nfs/dbraw/zinc/40/85/36/1104408536.db2.gz JAWJNMNLZYBRJX-INIZCTEOSA-N 2 0 344.503 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC001494985980 1104630309 /nfs/dbraw/zinc/63/03/09/1104630309.db2.gz CMJHSIWIOIVGNI-HUUCEWRRSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)c(C)s1 ZINC001495093708 1104733122 /nfs/dbraw/zinc/73/31/22/1104733122.db2.gz HLCMXQJYILQXJS-CABCVRRESA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498059711 1106861388 /nfs/dbraw/zinc/86/13/88/1106861388.db2.gz IAXQCLHECUFVJS-HNAYVOBHSA-N 2 0 329.488 2.254 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C(C)C)n1 ZINC001498064465 1106870318 /nfs/dbraw/zinc/87/03/18/1106870318.db2.gz UFCXMTNNKFVOAI-WMZOPIPTSA-N 2 0 349.523 2.179 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001498190699 1107052804 /nfs/dbraw/zinc/05/28/04/1107052804.db2.gz RYKDRQVFQGNUGG-LBPRGKRZSA-N 2 0 327.831 2.169 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)co1 ZINC001480763866 1107068074 /nfs/dbraw/zinc/06/80/74/1107068074.db2.gz NGONKXOEXSTKCD-CQSZACIVSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001498613310 1107810460 /nfs/dbraw/zinc/81/04/60/1107810460.db2.gz PZKAZGJAKGXRAW-UHFFFAOYSA-N 2 0 338.496 2.207 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)CC[NH+]1CCCCC1 ZINC001498658506 1107911622 /nfs/dbraw/zinc/91/16/22/1107911622.db2.gz QJQZATZRABCLKH-UHFFFAOYSA-N 2 0 331.451 2.346 10 0 EEAERP Cc1ncccc1C[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001493381067 1108030369 /nfs/dbraw/zinc/03/03/69/1108030369.db2.gz ZIOGGZNWDSQHMH-GOSISDBHSA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1F ZINC001493753638 1108627061 /nfs/dbraw/zinc/62/70/61/1108627061.db2.gz SSMPBNHBOWNXGE-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001493827668 1108710363 /nfs/dbraw/zinc/71/03/63/1108710363.db2.gz PIDKXDDAUOJGQI-BHYGNILZSA-N 2 0 327.488 2.293 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CC[C@H]1CCCC1(F)F)C(=O)C[NH+]1CCCC1 ZINC001479271186 1110672973 /nfs/dbraw/zinc/67/29/73/1110672973.db2.gz LYJOKKRIJWEFFO-CVEARBPZSA-N 2 0 343.462 2.440 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001479340867 1110683326 /nfs/dbraw/zinc/68/33/26/1110683326.db2.gz LNKOKLUNYFJGCR-LMMKCTJWSA-N 2 0 347.478 2.194 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001479416262 1110694039 /nfs/dbraw/zinc/69/40/39/1110694039.db2.gz XUYFTSYIQKOYGD-WKILWMFISA-N 2 0 343.462 2.392 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001499228060 1112188540 /nfs/dbraw/zinc/18/85/40/1112188540.db2.gz BPUUPQSDPUSQFI-HIFRSBDPSA-N 2 0 341.446 2.002 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCc2cccs2)CC1 ZINC001499255012 1112202685 /nfs/dbraw/zinc/20/26/85/1112202685.db2.gz VQDARZABMJOBCO-HNNXBMFYSA-N 2 0 335.517 2.403 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)sn1 ZINC001499264418 1112207347 /nfs/dbraw/zinc/20/73/47/1112207347.db2.gz YGVAQXYXRMGZNA-GOEBONIOSA-N 2 0 348.516 2.207 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001499955546 1112554839 /nfs/dbraw/zinc/55/48/39/1112554839.db2.gz UBDWTIDOXZBOTI-HNNXBMFYSA-N 2 0 338.883 2.156 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001500097642 1112615792 /nfs/dbraw/zinc/61/57/92/1112615792.db2.gz YTUDBGIRBKPJHZ-KETLTQCKSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501067865 1113186980 /nfs/dbraw/zinc/18/69/80/1113186980.db2.gz UMRJUOPXLKIJPP-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1F ZINC001501135969 1113211263 /nfs/dbraw/zinc/21/12/63/1113211263.db2.gz NQBYMXDOYBHKAX-DOTOQJQBSA-N 2 0 335.467 2.270 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001501707706 1113443960 /nfs/dbraw/zinc/44/39/60/1113443960.db2.gz MARIDPATJZWLMH-XSLAGTTESA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)CC1 ZINC001501711025 1113445256 /nfs/dbraw/zinc/44/52/56/1113445256.db2.gz UYPGGERKOMICAM-MLPBHCEUSA-N 2 0 327.900 2.345 10 0 EEAERP CCC(CC)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001501784366 1113476227 /nfs/dbraw/zinc/47/62/27/1113476227.db2.gz SQYJJFNDKYZWDU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2c3ccccc3CC[NH+]2CC2CC2)C1 ZINC001503690116 1113898771 /nfs/dbraw/zinc/89/87/71/1113898771.db2.gz FCHSLNUZPDLCKV-PXNSSMCTSA-N 2 0 341.499 2.454 10 0 EEAERP COc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)ccc1C ZINC001505678149 1114126177 /nfs/dbraw/zinc/12/61/77/1114126177.db2.gz LOUVGDCUSDZDEF-HZPDHXFCSA-N 2 0 347.503 2.328 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001505724986 1114152800 /nfs/dbraw/zinc/15/28/00/1114152800.db2.gz NTXPCZDMRNLOKT-STQMWFEESA-N 2 0 327.419 2.289 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505731738 1114156589 /nfs/dbraw/zinc/15/65/89/1114156589.db2.gz DRJZYBCSKXDXHO-CABCVRRESA-N 2 0 333.451 2.213 10 0 EEAERP CCc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001506885806 1114950080 /nfs/dbraw/zinc/95/00/80/1114950080.db2.gz CBVIEAFXTLTXKP-JYJNAYRXSA-N 2 0 348.491 2.096 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC001506906354 1114963434 /nfs/dbraw/zinc/96/34/34/1114963434.db2.gz QTERHJCNOBURLQ-YIYPIFLZSA-N 2 0 348.318 2.006 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001507088467 1115101731 /nfs/dbraw/zinc/10/17/31/1115101731.db2.gz LHGYICDFTZWQQE-HNNXBMFYSA-N 2 0 348.491 2.050 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ocnc2C)C1 ZINC001507112220 1115114786 /nfs/dbraw/zinc/11/47/86/1115114786.db2.gz HXUIXJQJRVLFFL-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001507292413 1115177439 /nfs/dbraw/zinc/17/74/39/1115177439.db2.gz JBMYBSULEIDDEB-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001507298448 1115180508 /nfs/dbraw/zinc/18/05/08/1115180508.db2.gz PWGQVLZWVSTFER-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001507320604 1115191243 /nfs/dbraw/zinc/19/12/43/1115191243.db2.gz NNTIKUKDQWTMAJ-RYUDHWBXSA-N 2 0 329.897 2.432 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCF)CC2 ZINC001507346298 1115209159 /nfs/dbraw/zinc/20/91/59/1115209159.db2.gz UDMPKDKNWPKDIF-YQQAZPJKSA-N 2 0 331.451 2.139 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2=CC[N@H+](C[C@@H]3CCCCO3)CC2)CC1 ZINC001508223250 1115451284 /nfs/dbraw/zinc/45/12/84/1115451284.db2.gz RIAWTNIGUAUGTI-IBGZPJMESA-N 2 0 349.519 2.036 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567944057 1124198424 /nfs/dbraw/zinc/19/84/24/1124198424.db2.gz LRXKLJLSPILZFI-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]Cc1cncs1 ZINC001567964207 1124207073 /nfs/dbraw/zinc/20/70/73/1124207073.db2.gz GPVCYFUWJJHEQO-ZDUSSCGKSA-N 2 0 343.456 2.397 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001568065617 1124271022 /nfs/dbraw/zinc/27/10/22/1124271022.db2.gz CLRVVQDRTLNZPQ-ULYATVDSSA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001568630388 1124644969 /nfs/dbraw/zinc/64/49/69/1124644969.db2.gz BMNKLMSFEYKMBB-RHSMWYFYSA-N 2 0 348.491 2.409 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001568695276 1124709338 /nfs/dbraw/zinc/70/93/38/1124709338.db2.gz ZTPIRNJTCAUPBI-AWEZNQCLSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001568713115 1124729383 /nfs/dbraw/zinc/72/93/83/1124729383.db2.gz BPNQWRUHWAOOOW-CQSZACIVSA-N 2 0 338.521 2.312 10 0 EEAERP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001568749182 1124763816 /nfs/dbraw/zinc/76/38/16/1124763816.db2.gz WILCZTLYDUKTNP-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CC=C(Cl)Cl)C2CC2)CC1 ZINC001569315978 1125225040 /nfs/dbraw/zinc/22/50/40/1125225040.db2.gz CQFFLFIFULFMJH-GFCCVEGCSA-N 2 0 334.291 2.132 10 0 EEAERP CC(C)=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001565883413 1125449616 /nfs/dbraw/zinc/44/96/16/1125449616.db2.gz KHMOFEFWEGJYCR-RBUKOAKNSA-N 2 0 329.488 2.489 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000247986266 283123601 /nfs/dbraw/zinc/12/36/01/283123601.db2.gz IGVQUZSJUGVMAJ-CEXWTWQISA-N 2 0 342.487 2.312 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000299747996 201355473 /nfs/dbraw/zinc/35/54/73/201355473.db2.gz FSOYTVWCEHSZLA-LZQZEXGQSA-N 2 0 338.455 2.108 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422822041 240244816 /nfs/dbraw/zinc/24/48/16/240244816.db2.gz ADSZWTGRDPQLPX-INIZCTEOSA-N 3 0 325.522 2.304 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422866332 240265900 /nfs/dbraw/zinc/26/59/00/240265900.db2.gz QECHOXUPJNUVQU-UKBAYJJMSA-N 2 0 348.487 2.252 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000422909104 240285520 /nfs/dbraw/zinc/28/55/20/240285520.db2.gz ZXHNQEYCAYDIAF-LEWJYISDSA-N 2 0 343.515 2.255 10 0 EEAERP C[C@H](CCCC[NH3+])[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000423442715 240489566 /nfs/dbraw/zinc/48/95/66/240489566.db2.gz VGVQKGKRJABIJR-VXGBXAGGSA-N 2 0 330.270 2.106 10 0 EEAERP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000425365433 241139796 /nfs/dbraw/zinc/13/97/96/241139796.db2.gz YIHBLBSYKHEKNW-MSOLQXFVSA-N 2 0 347.528 2.496 10 0 EEAERP COCC(C)(C)[NH+]1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000425354715 241136496 /nfs/dbraw/zinc/13/64/96/241136496.db2.gz SJNLTHGFEPWFAX-UHFFFAOYSA-N 2 0 334.489 2.476 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000246419513 243250193 /nfs/dbraw/zinc/25/01/93/243250193.db2.gz VMPUCLRSGPHBTH-BHIYHBOVSA-N 2 0 346.519 2.141 10 0 EEAERP Cc1cccc(-c2nnc([C@H](C)[NH2+]CC3CC[NH+](CCO)CC3)o2)c1 ZINC000069773692 203047208 /nfs/dbraw/zinc/04/72/08/203047208.db2.gz OABBOPRCNDHBCB-HNNXBMFYSA-N 2 0 344.459 2.400 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000105862626 204173663 /nfs/dbraw/zinc/17/36/63/204173663.db2.gz XRKJUAPGUYDVQS-ACJLOTCBSA-N 2 0 342.430 2.023 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(Cl)c1 ZINC000449823586 285250285 /nfs/dbraw/zinc/25/02/85/285250285.db2.gz JKUPBODYBBGJCL-MRXNPFEDSA-N 2 0 338.883 2.223 10 0 EEAERP CC[NH2+]Cc1cc(Br)cnc1N1CCC([NH+](C)C)CC1 ZINC000051444846 132181368 /nfs/dbraw/zinc/18/13/68/132181368.db2.gz SMEWUWCGHVVAGV-UHFFFAOYSA-N 2 0 341.297 2.484 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1F ZINC000115825154 292234872 /nfs/dbraw/zinc/23/48/72/292234872.db2.gz KGYPOSCFTZRTQO-HNNXBMFYSA-N 2 0 336.455 2.028 10 0 EEAERP CCN(C)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000191338250 152250233 /nfs/dbraw/zinc/25/02/33/152250233.db2.gz INBHQZGJYJIZOE-MRXNPFEDSA-N 2 0 334.508 2.062 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000128547199 292343990 /nfs/dbraw/zinc/34/39/90/292343990.db2.gz ZLOKMMUWHYHYEK-KURKYZTESA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000105862004 159309929 /nfs/dbraw/zinc/30/99/29/159309929.db2.gz LKDOUAYVWIUUQK-HOTGVXAUSA-N 2 0 333.476 2.038 10 0 EEAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000248403860 160344263 /nfs/dbraw/zinc/34/42/63/160344263.db2.gz PGTCIPYPQLJCQV-YSTOQKLRSA-N 2 0 341.499 2.498 10 0 EEAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1OC ZINC000121121942 274145320 /nfs/dbraw/zinc/14/53/20/274145320.db2.gz GDNIXVJFWUFMDD-HNNXBMFYSA-N 2 0 336.476 2.228 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000288233125 275037406 /nfs/dbraw/zinc/03/74/06/275037406.db2.gz SRBOGOPDTNIZIY-QXAKKESOSA-N 2 0 342.487 2.334 10 0 EEAERP c1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036272 275076440 /nfs/dbraw/zinc/07/64/40/275076440.db2.gz SRWATTIZCCMJCQ-MKXGPGLRSA-N 2 0 337.471 2.378 10 0 EEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423433367 279414825 /nfs/dbraw/zinc/41/48/25/279414825.db2.gz CFZHEKNVQCVCQJ-ZQDZILKHSA-N 2 0 329.444 2.309 10 0 EEAERP CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297369798 294225386 /nfs/dbraw/zinc/22/53/86/294225386.db2.gz MGIKUTMNPZDOOH-UHFFFAOYSA-N 2 0 329.448 2.396 10 0 EEAERP CO[C@@H](Cc1ccccc1)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000297386505 294230222 /nfs/dbraw/zinc/23/02/22/294230222.db2.gz DUMIFMWDSCIDNC-RTWAWAEBSA-N 2 0 345.531 2.346 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000262924559 303472467 /nfs/dbraw/zinc/47/24/67/303472467.db2.gz LKBWJSJFCWMWMK-XHSDSOJGSA-N 2 0 333.501 2.346 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339067866 312251611 /nfs/dbraw/zinc/25/16/11/312251611.db2.gz KAYDIIHTGBESFU-QWFCFKBJSA-N 2 0 331.504 2.380 10 0 EEAERP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000414738188 313073174 /nfs/dbraw/zinc/07/31/74/313073174.db2.gz OSMGYYXRLBJHRJ-INIZCTEOSA-N 2 0 347.507 2.468 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000416838827 313330471 /nfs/dbraw/zinc/33/04/71/313330471.db2.gz JGSYEJFPUWKDNT-BPQIPLTHSA-N 2 0 332.492 2.367 10 0 EEAERP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416895765 313352898 /nfs/dbraw/zinc/35/28/98/313352898.db2.gz OIDGWXLRMFUAMP-IBGZPJMESA-N 2 0 344.503 2.423 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417224768 313455918 /nfs/dbraw/zinc/45/59/18/313455918.db2.gz WDJOMIGTVMTKEH-MCIONIFRSA-N 2 0 346.466 2.039 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418137543 313723160 /nfs/dbraw/zinc/72/31/60/313723160.db2.gz SXKCHSCGEFONJL-VYMRPNJYSA-N 2 0 334.508 2.034 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418180777 313738412 /nfs/dbraw/zinc/73/84/12/313738412.db2.gz KTBBKCOAOFWMFQ-WBAXXEDZSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418684558 313879649 /nfs/dbraw/zinc/87/96/49/313879649.db2.gz BBCPJBRHIQEYFU-XYPHTWIQSA-N 2 0 336.455 2.169 10 0 EEAERP CN1CCC(CNC(=O)N2C3CCC2CC3)([NH+]2CCCCC2)CC1 ZINC000525305607 317055383 /nfs/dbraw/zinc/05/53/83/317055383.db2.gz ZNBRXDHRHDVEBG-UHFFFAOYSA-N 2 0 334.508 2.273 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCO1 ZINC000527753620 317255831 /nfs/dbraw/zinc/25/58/31/317255831.db2.gz BJZRMEYNEPOEEV-QRVBRYPASA-N 2 0 330.472 2.313 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000528450212 317389978 /nfs/dbraw/zinc/38/99/78/317389978.db2.gz NLCKOWLOVDXGDK-LMMKCTJWSA-N 2 0 346.515 2.399 10 0 EEAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000564823197 319114058 /nfs/dbraw/zinc/11/40/58/319114058.db2.gz DIEMHOFXELWEGT-DFQSSKMNSA-N 2 0 331.504 2.255 10 0 EEAERP Cc1cccc(CN(CCN2CC[NH2+]CC2)Cc2cccc(C)n2)n1 ZINC000565046979 319143633 /nfs/dbraw/zinc/14/36/33/319143633.db2.gz ZLASDPSRZQVTTH-UHFFFAOYSA-N 2 0 339.487 2.001 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000569794783 319608449 /nfs/dbraw/zinc/60/84/49/319608449.db2.gz HHCJKAFPXIOUPZ-KDOFPFPSSA-N 2 0 330.476 2.380 10 0 EEAERP Cn1ccnc1[C@@H]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000574766572 320055372 /nfs/dbraw/zinc/05/53/72/320055372.db2.gz NTHDBHBTPLXUHV-GFCCVEGCSA-N 2 0 345.472 2.183 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000574786975 320058059 /nfs/dbraw/zinc/05/80/59/320058059.db2.gz HHWXRAPPWWDFLR-QRFRQXIXSA-N 2 0 344.503 2.463 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000576813319 320205995 /nfs/dbraw/zinc/20/59/95/320205995.db2.gz SIKMHCGNNRAIRE-UYAOXDASSA-N 2 0 345.531 2.288 10 0 EEAERP C[NH+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000350951027 465045388 /nfs/dbraw/zinc/04/53/88/465045388.db2.gz OJTRAGNCBXZVIZ-CQSZACIVSA-N 2 0 335.414 2.061 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000339236708 465157423 /nfs/dbraw/zinc/15/74/23/465157423.db2.gz HKLDXVGADHJCRY-SFHVURJKSA-N 2 0 326.444 2.176 10 0 EEAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339251260 465167927 /nfs/dbraw/zinc/16/79/27/465167927.db2.gz BTZWGSSEUKBQTH-BZUAXINKSA-N 2 0 332.492 2.239 10 0 EEAERP Cc1ccc(OC[C@H](O)CN2CCN(c3cnccc3C)CC2)cc1 ZINC000534798106 468277321 /nfs/dbraw/zinc/27/73/21/468277321.db2.gz DZRVSTJVQRGPNY-GOSISDBHSA-N 2 0 341.455 2.260 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093066291 463006490 /nfs/dbraw/zinc/00/64/90/463006490.db2.gz RPZGHPBAOSTOCB-SFHVURJKSA-N 2 0 330.476 2.289 10 0 EEAERP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000057847411 463523876 /nfs/dbraw/zinc/52/38/76/463523876.db2.gz PAGDZZXSKPGBDO-CQSZACIVSA-N 2 0 340.512 2.053 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185400175 463816209 /nfs/dbraw/zinc/81/62/09/463816209.db2.gz BDXNLMFUTIBZTD-CALCHBBNSA-N 2 0 326.529 2.338 10 0 EEAERP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261912237 463897571 /nfs/dbraw/zinc/89/75/71/463897571.db2.gz XSKQJZMSZPARSU-UZLBHIALSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000186814301 464068642 /nfs/dbraw/zinc/06/86/42/464068642.db2.gz KXSDYMUYUMMPEH-QGPMSJSTSA-N 2 0 333.451 2.152 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000280906854 464271575 /nfs/dbraw/zinc/27/15/75/464271575.db2.gz OTIWHBOUTUDAFK-UHFFFAOYSA-N 2 0 325.460 2.087 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000174173584 464371554 /nfs/dbraw/zinc/37/15/54/464371554.db2.gz JISULDWFAZSGTG-MRXNPFEDSA-N 2 0 335.496 2.460 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000245399064 464475615 /nfs/dbraw/zinc/47/56/15/464475615.db2.gz VMCZCWPPLTVSLI-SJLPKXTDSA-N 2 0 334.508 2.189 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246489916 464591373 /nfs/dbraw/zinc/59/13/73/464591373.db2.gz RQGJJWCWCOTGAT-FJIDUMEYSA-N 2 0 338.540 2.479 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000175668699 464598881 /nfs/dbraw/zinc/59/88/81/464598881.db2.gz KIBWXMNYIOGAKO-KRWDZBQOSA-N 2 0 336.455 2.041 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246575451 464601897 /nfs/dbraw/zinc/60/18/97/464601897.db2.gz SUHRMFWKAKOMIF-BHIYHBOVSA-N 2 0 344.503 2.385 10 0 EEAERP CCC(C)(C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182969212 464767985 /nfs/dbraw/zinc/76/79/85/464767985.db2.gz KSKCFIZXKMAYDU-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC)C(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248658616 464782481 /nfs/dbraw/zinc/78/24/81/464782481.db2.gz ULKQHXXLKCHKGD-AEFFLSMTSA-N 2 0 332.492 2.092 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000191557518 464820388 /nfs/dbraw/zinc/82/03/88/464820388.db2.gz QXTVTBNGSPEZEY-OLZOCXBDSA-N 2 0 325.478 2.182 10 0 EEAERP CCc1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c(C)o1 ZINC000351783279 465359035 /nfs/dbraw/zinc/35/90/35/465359035.db2.gz RGIBBAJSBDKJJU-HNNXBMFYSA-N 2 0 336.480 2.034 10 0 EEAERP CCn1ncnc1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000366287664 465633922 /nfs/dbraw/zinc/63/39/22/465633922.db2.gz UEMVWHAWOZLIPV-RCCFBDPRSA-N 2 0 325.460 2.298 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000361336646 465917225 /nfs/dbraw/zinc/91/72/25/465917225.db2.gz RCGIVRRYINFZSK-AZUAARDMSA-N 2 0 331.504 2.209 10 0 EEAERP CC(C)[NH+](CCOCC[N@@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409423 465972371 /nfs/dbraw/zinc/97/23/71/465972371.db2.gz VCUVETIBDOIUES-HDICACEKSA-N 2 0 328.497 2.002 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000353615403 466015283 /nfs/dbraw/zinc/01/52/83/466015283.db2.gz LIMQESGUFDVMDS-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000349831868 466262764 /nfs/dbraw/zinc/26/27/64/466262764.db2.gz VYTYVDZDLDUSLU-OAHLLOKOSA-N 2 0 345.516 2.321 10 0 EEAERP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCOCC4(CC4)C3)C2)cc1 ZINC000367463644 466355700 /nfs/dbraw/zinc/35/57/00/466355700.db2.gz NDEJJQNEMQGRPG-LJQANCHMSA-N 2 0 330.472 2.390 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358224159 466552623 /nfs/dbraw/zinc/55/26/23/466552623.db2.gz AIZWGEWXAWPZPN-INIZCTEOSA-N 2 0 326.529 2.384 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000341090228 466575885 /nfs/dbraw/zinc/57/58/85/466575885.db2.gz IHXAKMGKUMSBBI-HZPDHXFCSA-N 2 0 336.524 2.423 10 0 EEAERP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000368102763 466577904 /nfs/dbraw/zinc/57/79/04/466577904.db2.gz PQBJQOYFLOECKP-KGLIPLIRSA-N 2 0 333.457 2.027 10 0 EEAERP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290747 466709966 /nfs/dbraw/zinc/70/99/66/466709966.db2.gz FHOLUCJTMOBYNB-ZIAGYGMSSA-N 2 0 347.484 2.465 10 0 EEAERP CCC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccn1 ZINC000423391421 466736456 /nfs/dbraw/zinc/73/64/56/466736456.db2.gz PKGKQVUAFJOQRQ-UKRRQHHQSA-N 2 0 330.398 2.349 10 0 EEAERP [NH3+][C@H]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416868428 466750749 /nfs/dbraw/zinc/75/07/49/466750749.db2.gz FNXOCTOTXUEOSY-ROUUACIJSA-N 2 0 330.476 2.352 10 0 EEAERP C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471739 466754153 /nfs/dbraw/zinc/75/41/53/466754153.db2.gz HTMWUCGYJCKAOH-CJNGLKHVSA-N 2 0 327.419 2.275 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488009 466757216 /nfs/dbraw/zinc/75/72/16/466757216.db2.gz DBJUHJQSJGJUAE-YRPNKDGESA-N 2 0 329.488 2.150 10 0 EEAERP COc1ccc(OC)c(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250351 472042286 /nfs/dbraw/zinc/04/22/86/472042286.db2.gz GNCSURKDOHYZRJ-KRWDZBQOSA-N 2 0 332.444 2.189 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662252035 472042807 /nfs/dbraw/zinc/04/28/07/472042807.db2.gz HZYWZYMYHRVBQO-IBGZPJMESA-N 2 0 330.472 2.231 10 0 EEAERP COc1cccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]2CCCO2)c1 ZINC000662252998 472042959 /nfs/dbraw/zinc/04/29/59/472042959.db2.gz FSWJQUSFRXKFDG-RBUKOAKNSA-N 2 0 346.471 2.197 10 0 EEAERP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H](C)[NH3+] ZINC000417469835 466866167 /nfs/dbraw/zinc/86/61/67/466866167.db2.gz QWZOIWHWXJWGMS-JKSUJKDBSA-N 2 0 332.492 2.453 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000417738703 466922031 /nfs/dbraw/zinc/92/20/31/466922031.db2.gz PHVTWICNDGMXAC-GOEBONIOSA-N 2 0 336.505 2.136 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000376918265 466965535 /nfs/dbraw/zinc/96/55/35/466965535.db2.gz NOKDUPPFZWVAQT-SJLPKXTDSA-N 2 0 342.487 2.139 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417916424 466984549 /nfs/dbraw/zinc/98/45/49/466984549.db2.gz VZKPHXZJMQNGGW-FUHWJXTLSA-N 2 0 332.492 2.354 10 0 EEAERP C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417961648 467003923 /nfs/dbraw/zinc/00/39/23/467003923.db2.gz YUTOAXCAEYSFKE-DOMZBBRYSA-N 2 0 342.846 2.120 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000424323054 467029362 /nfs/dbraw/zinc/02/93/62/467029362.db2.gz KJKVKCMGZOXIKD-CVEARBPZSA-N 2 0 333.476 2.146 10 0 EEAERP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc2c1OCCO2 ZINC000424373795 467034936 /nfs/dbraw/zinc/03/49/36/467034936.db2.gz HESJOEOGROPLID-AWEZNQCLSA-N 2 0 332.444 2.430 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418142948 467057499 /nfs/dbraw/zinc/05/74/99/467057499.db2.gz YTPGFCLQQIZHJI-ZIFCJYIRSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418196570 467073034 /nfs/dbraw/zinc/07/30/34/467073034.db2.gz RIJMQSNCFSLXBX-LULLPPNCSA-N 2 0 342.487 2.043 10 0 EEAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418342351 467095443 /nfs/dbraw/zinc/09/54/43/467095443.db2.gz PZWCISDEPZGVTI-GOSISDBHSA-N 2 0 347.507 2.077 10 0 EEAERP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc2C1 ZINC000378212055 467230559 /nfs/dbraw/zinc/23/05/59/467230559.db2.gz TVMOGOPOVVJKSK-UHFFFAOYSA-N 2 0 349.478 2.395 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433933851 467365187 /nfs/dbraw/zinc/36/51/87/467365187.db2.gz VKFJIEGFPGJSKK-LEOMRAHMSA-N 2 0 336.524 2.423 10 0 EEAERP O[C@@H](CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000379651465 467369125 /nfs/dbraw/zinc/36/91/25/467369125.db2.gz UNSUOZQXYMQTHO-PMACEKPBSA-N 2 0 331.504 2.087 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCC([NH3+])CC1 ZINC000382746599 467378428 /nfs/dbraw/zinc/37/84/28/467378428.db2.gz VBEVXWHUOOHTPC-LMDPOFIKSA-N 2 0 329.488 2.484 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372715 467382620 /nfs/dbraw/zinc/38/26/20/467382620.db2.gz LUUSBTCHLLMWQA-HZPDHXFCSA-N 2 0 342.443 2.487 10 0 EEAERP C[C@H]1CCN(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420473773 467419583 /nfs/dbraw/zinc/41/95/83/467419583.db2.gz WMEVWEASNVVQBE-INIZCTEOSA-N 2 0 330.476 2.031 10 0 EEAERP CCC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCOC ZINC000431813410 467539802 /nfs/dbraw/zinc/53/98/02/467539802.db2.gz WAFCHXHOOITQHQ-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC(=O)c1ccccc1OCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239359 467966705 /nfs/dbraw/zinc/96/67/05/467966705.db2.gz RZRTZCFWLBBFGP-SFHVURJKSA-N 2 0 346.471 2.359 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2COc3cccc(C)c3C2)CC[NH2+]CC1 ZINC000600708185 468628294 /nfs/dbraw/zinc/62/82/94/468628294.db2.gz JQMSJDAGALEWAS-CVEARBPZSA-N 2 0 346.471 2.210 10 0 EEAERP CC[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600716032 468631204 /nfs/dbraw/zinc/63/12/04/468631204.db2.gz VNVQPEXCSKFERU-UHFFFAOYSA-N 2 0 340.508 2.323 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000557635325 468643047 /nfs/dbraw/zinc/64/30/47/468643047.db2.gz YOWQEGIIJIHFEF-LMMKCTJWSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@H]([NH2+]CCc1ccc(I)cc1)C1C[NH2+]C1 ZINC000596655373 469323979 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EEAERP COc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1OC1CC1 ZINC000623358496 469633967 /nfs/dbraw/zinc/63/39/67/469633967.db2.gz CSKQQCATVPDXAL-UHFFFAOYSA-N 2 0 334.460 2.438 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623386858 469640400 /nfs/dbraw/zinc/64/04/00/469640400.db2.gz GUTVESBHHAXJFD-GOSISDBHSA-N 3 0 345.535 2.056 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623495226 469675440 /nfs/dbraw/zinc/67/54/40/469675440.db2.gz VYWLDBIQWGIPKE-MRXNPFEDSA-N 2 0 347.503 2.352 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[NH2+]1 ZINC000626922494 469755597 /nfs/dbraw/zinc/75/55/97/469755597.db2.gz ZKFYMUTYEGQHOE-QLFBSQMISA-N 2 0 336.505 2.325 10 0 EEAERP C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009259 469788368 /nfs/dbraw/zinc/78/83/68/469788368.db2.gz DPCVJVSIQMDNHM-RWQQGDIJSA-N 2 0 344.503 2.337 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000627168435 469831910 /nfs/dbraw/zinc/83/19/10/469831910.db2.gz UNPAEUSJCKXYAY-ZJPYXAASSA-N 2 0 336.524 2.423 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627206280 469844589 /nfs/dbraw/zinc/84/45/89/469844589.db2.gz YCMHKSGKVVGMCY-QXAKKESOSA-N 2 0 344.503 2.433 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620909783 469946898 /nfs/dbraw/zinc/94/68/98/469946898.db2.gz KJBNVTMRBYOXST-CVEARBPZSA-N 2 0 339.524 2.255 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000630703685 469961659 /nfs/dbraw/zinc/96/16/59/469961659.db2.gz CSRSOQWNXLZQOM-AYOQOUSVSA-N 2 0 329.488 2.280 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC000620973856 469965284 /nfs/dbraw/zinc/96/52/84/469965284.db2.gz AVFODYCDIWRUHO-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000625287823 470112750 /nfs/dbraw/zinc/11/27/50/470112750.db2.gz MZSGOZDMOVJBFM-UHFFFAOYSA-N 2 0 337.411 2.332 10 0 EEAERP C[C@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000633078167 470342899 /nfs/dbraw/zinc/34/28/99/470342899.db2.gz IFNUYAZUKWFWRP-QGZVFWFLSA-N 2 0 336.524 2.378 10 0 EEAERP Fc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1-n1cncn1 ZINC000647480586 470911320 /nfs/dbraw/zinc/91/13/20/470911320.db2.gz SZYZPLSAFBTFHD-NVXWUHKLSA-N 2 0 329.423 2.370 10 0 EEAERP COCCN(C)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479632 470911761 /nfs/dbraw/zinc/91/17/61/470911761.db2.gz NTSCMQHQWHFXNM-MSOLQXFVSA-N 2 0 332.492 2.128 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000647631080 470943367 /nfs/dbraw/zinc/94/33/67/470943367.db2.gz FFPNGLBKOKHPMR-SQNIBIBYSA-N 2 0 337.483 2.428 10 0 EEAERP COc1cc2c(c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1)O[C@@H](C)C2 ZINC000657573048 471172179 /nfs/dbraw/zinc/17/21/79/471172179.db2.gz IPAXNWJHHUFWMK-HOTGVXAUSA-N 2 0 349.519 2.380 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)C1 ZINC000657597547 471181396 /nfs/dbraw/zinc/18/13/96/471181396.db2.gz UPFLPMSLNXGVCR-FQEVSTJZSA-N 2 0 340.471 2.150 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000652048225 471214869 /nfs/dbraw/zinc/21/48/69/471214869.db2.gz ITCAMRASGZEOMI-SFHVURJKSA-N 2 0 349.438 2.442 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000648482674 471217437 /nfs/dbraw/zinc/21/74/37/471217437.db2.gz FSWBEYRFACPEON-WFXMLNOXSA-N 2 0 345.531 2.391 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652141064 471243487 /nfs/dbraw/zinc/24/34/87/471243487.db2.gz DVAJBMDQOKBHFB-GOSISDBHSA-N 2 0 344.503 2.327 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000652174447 471250024 /nfs/dbraw/zinc/25/00/24/471250024.db2.gz UNWWGWTYPOJCCR-ROUUACIJSA-N 2 0 330.476 2.121 10 0 EEAERP c1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000663343758 471333966 /nfs/dbraw/zinc/33/39/66/471333966.db2.gz DSDOIBMPPPLNNV-KRWDZBQOSA-N 2 0 325.460 2.479 10 0 EEAERP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655467011 471338486 /nfs/dbraw/zinc/33/84/86/471338486.db2.gz CBTKCPGKHOCAHR-CMKODMSKSA-N 2 0 327.472 2.109 10 0 EEAERP CC1CC[NH+](CCNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659030034 471473475 /nfs/dbraw/zinc/47/34/75/471473475.db2.gz FVQDLXAIJRSQHS-GOSISDBHSA-N 2 0 346.475 2.201 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659044476 471485184 /nfs/dbraw/zinc/48/51/84/471485184.db2.gz UZZVADUXXZRAJF-MSOLQXFVSA-N 2 0 346.475 2.296 10 0 EEAERP CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)[NH+](C)C)cc1 ZINC000653106055 471488530 /nfs/dbraw/zinc/48/85/30/471488530.db2.gz REYFMSXRHXDBJC-OTWHNJEPSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@]1(CNC(=O)NCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565907 471560258 /nfs/dbraw/zinc/56/02/58/471560258.db2.gz WYTUWISBWCZOIE-IBGZPJMESA-N 2 0 330.476 2.092 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000659431907 471623940 /nfs/dbraw/zinc/62/39/40/471623940.db2.gz RZZZZZRUHMMYFZ-LJQANCHMSA-N 2 0 346.519 2.366 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000659624270 471702890 /nfs/dbraw/zinc/70/28/90/471702890.db2.gz LRUYXMJUODSXLC-QGZVFWFLSA-N 2 0 336.480 2.259 10 0 EEAERP C[C@@H](C[NH+]1CCC[C@](O)(C2CC2)C1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661627978 471831216 /nfs/dbraw/zinc/83/12/16/471831216.db2.gz SHKDKFVUEMHAOS-PDFPEKILSA-N 2 0 336.520 2.096 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000664865026 471882517 /nfs/dbraw/zinc/88/25/17/471882517.db2.gz FATSKSCHYMCJJK-KBAYOESNSA-N 2 0 332.492 2.413 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000665287167 471990000 /nfs/dbraw/zinc/99/00/00/471990000.db2.gz DHMJAQLJLNCOCX-GFCCVEGCSA-N 2 0 338.521 2.401 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000665289387 471991069 /nfs/dbraw/zinc/99/10/69/471991069.db2.gz MVNPLVQVLKZVLL-LJQANCHMSA-N 2 0 348.466 2.252 10 0 EEAERP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000662295273 472060134 /nfs/dbraw/zinc/06/01/34/472060134.db2.gz OOTNLENSIJXLHG-OAHLLOKOSA-N 2 0 345.443 2.065 10 0 EEAERP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000662295272 472060616 /nfs/dbraw/zinc/06/06/16/472060616.db2.gz OOTNLENSIJXLHG-HNNXBMFYSA-N 2 0 345.443 2.065 10 0 EEAERP CN(C(=O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662326004 472073101 /nfs/dbraw/zinc/07/31/01/472073101.db2.gz SUEUBIHULZZPBL-SFHVURJKSA-N 2 0 333.476 2.082 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000665556824 472093484 /nfs/dbraw/zinc/09/34/84/472093484.db2.gz FHUDEZYWTSZTEC-KRWDZBQOSA-N 2 0 336.524 2.377 10 0 EEAERP COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665639985 472120457 /nfs/dbraw/zinc/12/04/57/472120457.db2.gz KMXABSNMYLJLFY-HNNXBMFYSA-N 2 0 348.491 2.039 10 0 EEAERP CCN(C(=O)[C@@H]([NH3+])COC(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662501572 472130664 /nfs/dbraw/zinc/13/06/64/472130664.db2.gz CMYSFBZLEUNRMP-QRQLOZEOSA-N 2 0 347.503 2.423 10 0 EEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662523584 472139331 /nfs/dbraw/zinc/13/93/31/472139331.db2.gz OANUTMSELNURGJ-AWEZNQCLSA-N 2 0 336.480 2.382 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662528526 472141315 /nfs/dbraw/zinc/14/13/15/472141315.db2.gz AQSLYUSQPSTCEL-IBGZPJMESA-N 2 0 338.455 2.206 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000668860339 472300239 /nfs/dbraw/zinc/30/02/39/472300239.db2.gz XGCDGMICDHNTKJ-YJBOKZPZSA-N 2 0 330.476 2.080 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CC(OCc4ccccc4)C3)C2)CC1 ZINC000683815323 485649211 /nfs/dbraw/zinc/64/92/11/485649211.db2.gz BDACSOVOWIUVHF-JSOIOWGOSA-N 2 0 343.515 2.492 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000681514771 486260144 /nfs/dbraw/zinc/26/01/44/486260144.db2.gz SKWLHNPHTPERSD-SFHVURJKSA-N 2 0 329.488 2.499 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000411544677 528980070 /nfs/dbraw/zinc/98/00/70/528980070.db2.gz OMRJLCXCWCOABT-AWEZNQCLSA-N 2 0 349.523 2.198 10 0 EEAERP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782936 535574745 /nfs/dbraw/zinc/57/47/45/535574745.db2.gz GVXFCEZDPUGXCQ-RBUKOAKNSA-N 2 0 345.487 2.056 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730736512 577052649 /nfs/dbraw/zinc/05/26/49/577052649.db2.gz UQHSPFKZDUKFPX-IRXDYDNUSA-N 2 0 338.565 2.296 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C[C@@H](O)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC000933735611 676840897 /nfs/dbraw/zinc/84/08/97/676840897.db2.gz YYRALPMREMRZNF-BMFZPTHFSA-N 2 0 339.277 2.366 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000261948596 682559950 /nfs/dbraw/zinc/55/99/50/682559950.db2.gz NPBAAPAIAJSCEN-TZIWHRDSSA-N 3 0 345.531 2.363 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)c2c(F)cccc2F)C1 ZINC000925594332 684592763 /nfs/dbraw/zinc/59/27/63/684592763.db2.gz FWQBQMNJZBXHCS-NWDGAFQWSA-N 2 0 325.403 2.190 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924668139 693117104 /nfs/dbraw/zinc/11/71/04/693117104.db2.gz OVTMSFIBKPVQJG-QWFCFKBJSA-N 2 0 330.520 2.408 10 0 EEAERP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC([NH+]2CCCC2)C1 ZINC000898612878 693395660 /nfs/dbraw/zinc/39/56/60/693395660.db2.gz OQGNOHLPDFKAIP-UHFFFAOYSA-N 2 0 327.472 2.205 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCCCF)C[C@H]21 ZINC001485601573 1191856839 /nfs/dbraw/zinc/85/68/39/1191856839.db2.gz OVFVHNQBMZMNBR-FJIDUMEYSA-N 2 0 339.499 2.293 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001485687253 1191897525 /nfs/dbraw/zinc/89/75/25/1191897525.db2.gz XZTMHPXQXGCVDN-ULQDDVLXSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001485724271 1191910883 /nfs/dbraw/zinc/91/08/83/1191910883.db2.gz NKXIJIGOYKLAAG-QAPCUYQASA-N 2 0 348.491 2.456 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714370 1191913053 /nfs/dbraw/zinc/91/30/53/1191913053.db2.gz FXAJHSUXKLVOSN-AAEUAGOBSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)C[NH+]1CCCC1 ZINC001485747565 1191929720 /nfs/dbraw/zinc/92/97/20/1191929720.db2.gz FADYURYIRZVNCK-LBPRGKRZSA-N 2 0 344.912 2.267 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccn1 ZINC001485750879 1191931736 /nfs/dbraw/zinc/93/17/36/1191931736.db2.gz DDQLVQVUNWFHDG-SJLPKXTDSA-N 2 0 332.492 2.331 10 0 EEAERP C[N@H+](CCCCCF)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266326818 1176301742 /nfs/dbraw/zinc/30/17/42/1176301742.db2.gz MYLBWLZDOWJDGE-KRWDZBQOSA-N 2 0 333.467 2.387 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001266569927 1176863210 /nfs/dbraw/zinc/86/32/10/1176863210.db2.gz QXGFHMZMOGFUOX-SFHVURJKSA-N 2 0 348.466 2.177 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001691079154 1177538904 /nfs/dbraw/zinc/53/89/04/1177538904.db2.gz IOIFAFGVEUJDTD-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCCCF)C1)C12CCC[NH+]1CCC2 ZINC001691153236 1177646979 /nfs/dbraw/zinc/64/69/79/1177646979.db2.gz OPVVNQXVHSDUJM-WKILWMFISA-N 2 0 325.472 2.239 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001692132399 1177981965 /nfs/dbraw/zinc/98/19/65/1177981965.db2.gz WMFYOFSMFAPLTG-IRXDYDNUSA-N 2 0 327.513 2.112 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)c(Cl)c1 ZINC001266989170 1178045169 /nfs/dbraw/zinc/04/51/69/1178045169.db2.gz UQBJEMTVCKLGAX-UHFFFAOYSA-N 2 0 335.879 2.292 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001267041899 1178137690 /nfs/dbraw/zinc/13/76/90/1178137690.db2.gz TUIMDNAZAOTRSK-JHJVBQTASA-N 2 0 334.291 2.084 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267083981 1178207533 /nfs/dbraw/zinc/20/75/33/1178207533.db2.gz DZSNVPGZLZCMMO-ROUUACIJSA-N 2 0 347.503 2.068 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2CCCCCF)CC1 ZINC001267278451 1178663166 /nfs/dbraw/zinc/66/31/66/1178663166.db2.gz KLCFVJMAFFCIRU-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001480935022 1178844789 /nfs/dbraw/zinc/84/47/89/1178844789.db2.gz JQBPFDSYHPWMEQ-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC001480951305 1179118322 /nfs/dbraw/zinc/11/83/22/1179118322.db2.gz WECGGIDDHFYFRM-HZPDHXFCSA-N 2 0 345.487 2.138 10 0 EEAERP C[C@H](NCC(F)(F)C(F)F)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267491564 1179164909 /nfs/dbraw/zinc/16/49/09/1179164909.db2.gz JXWXXMYEXBUVDP-NSHDSACASA-N 2 0 341.393 2.055 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cnccc1C ZINC001481012089 1179491698 /nfs/dbraw/zinc/49/16/98/1179491698.db2.gz UJDDOQZCIXBHBV-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001267614890 1179838147 /nfs/dbraw/zinc/83/81/47/1179838147.db2.gz FDUWIDOROLGJDD-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267689628 1180167008 /nfs/dbraw/zinc/16/70/08/1180167008.db2.gz GZURCZJEMNJHBH-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCCCCF)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001267758366 1180426707 /nfs/dbraw/zinc/42/67/07/1180426707.db2.gz LQDWWXXDRHZRRA-KRWDZBQOSA-N 2 0 327.488 2.248 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCc2ccccc2F)CCCC1 ZINC001267834573 1180603843 /nfs/dbraw/zinc/60/38/43/1180603843.db2.gz WQDRCQJFRWQGTR-SFHVURJKSA-N 2 0 347.478 2.481 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001267933965 1180785811 /nfs/dbraw/zinc/78/58/11/1180785811.db2.gz OORCTHNFYIIMKS-SHTZXODSSA-N 2 0 338.521 2.392 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001267968350 1180871646 /nfs/dbraw/zinc/87/16/46/1180871646.db2.gz RBWXBJVYESQVLR-GOSISDBHSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001481314799 1181010506 /nfs/dbraw/zinc/01/05/06/1181010506.db2.gz MCSKGOIRHIGNBU-UKTKYZJWSA-N 2 0 345.487 2.098 10 0 EEAERP CCOCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001481338001 1181064880 /nfs/dbraw/zinc/06/48/80/1181064880.db2.gz QGPJRWPWGTVEHD-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481462467 1181462724 /nfs/dbraw/zinc/46/27/24/1181462724.db2.gz BXFOIVOTEOZJDS-MJGOQNOKSA-N 2 0 329.488 2.275 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2ccc(C)nc2C)C1 ZINC001481502836 1181581730 /nfs/dbraw/zinc/58/17/30/1181581730.db2.gz AUUZLJBFCFNMHJ-GOSISDBHSA-N 2 0 346.519 2.321 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268094331 1181732115 /nfs/dbraw/zinc/73/21/15/1181732115.db2.gz NRGWOTKWQYXRNV-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001268374566 1182382688 /nfs/dbraw/zinc/38/26/88/1182382688.db2.gz QUTRZRPEYYFSTD-RISCZKNCSA-N 2 0 346.928 2.367 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001268374817 1182384198 /nfs/dbraw/zinc/38/41/98/1182384198.db2.gz XIVDGYPQEANVCN-NSHDSACASA-N 2 0 344.912 2.265 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001268380147 1182402399 /nfs/dbraw/zinc/40/23/99/1182402399.db2.gz PSRDZIVCBHGARW-MRXNPFEDSA-N 2 0 345.487 2.308 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C2CC2)no1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268450634 1182636822 /nfs/dbraw/zinc/63/68/22/1182636822.db2.gz ZIKFGKNBVHHUHG-SFHVURJKSA-N 2 0 348.491 2.363 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCF ZINC001483622993 1182730040 /nfs/dbraw/zinc/73/00/40/1182730040.db2.gz HOUMMUTZKICLOV-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001481870798 1182831254 /nfs/dbraw/zinc/83/12/54/1182831254.db2.gz OEKFRKXMHLVYJN-KGLIPLIRSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1ncc(C[NH2+]C[C@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@H]2C)o1 ZINC001481964761 1183055341 /nfs/dbraw/zinc/05/53/41/1183055341.db2.gz SQFGITOJUOGUTC-DNVCBOLYSA-N 2 0 348.491 2.234 10 0 EEAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001482034962 1183187404 /nfs/dbraw/zinc/18/74/04/1183187404.db2.gz IXOJGNDQYXXBLM-UHFFFAOYSA-N 2 0 327.472 2.454 10 0 EEAERP CCc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001482101656 1183335048 /nfs/dbraw/zinc/33/50/48/1183335048.db2.gz ONOWWZGFRFZFOF-OXQOHEQNSA-N 2 0 343.515 2.433 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001268614829 1183531484 /nfs/dbraw/zinc/53/14/84/1183531484.db2.gz ZKSXAVVSOOBJLR-SFAKSCPVSA-N 2 0 337.414 2.069 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001268621058 1183540877 /nfs/dbraw/zinc/54/08/77/1183540877.db2.gz YRAVIMPWQMVHKS-LLYBFZRZSA-N 2 0 325.403 2.067 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCc1ccccc1F)C1CC1 ZINC001269083576 1183945808 /nfs/dbraw/zinc/94/58/08/1183945808.db2.gz FOWNFQXKFBPAGO-MOPGFXCFSA-N 2 0 347.478 2.337 10 0 EEAERP CC/C=C\CCN1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001482207246 1183996787 /nfs/dbraw/zinc/99/67/87/1183996787.db2.gz ORFKEUNWOGPCJT-DDKKJVIOSA-N 2 0 337.508 2.036 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC=C(Cl)Cl)CCCC1 ZINC001269567473 1184398350 /nfs/dbraw/zinc/39/83/50/1184398350.db2.gz QNWDFTMVIRGWKZ-GFCCVEGCSA-N 2 0 334.291 2.418 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001269765832 1184602816 /nfs/dbraw/zinc/60/28/16/1184602816.db2.gz LSLWRKJHZWKIOV-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001269969609 1184754569 /nfs/dbraw/zinc/75/45/69/1184754569.db2.gz IVYZSTARLOINAG-FZGCCYDFSA-N 2 0 337.508 2.080 10 0 EEAERP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270120791 1184864728 /nfs/dbraw/zinc/86/47/28/1184864728.db2.gz JBYAUBXGUHYJSN-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCCCC(F)(F)F)C1 ZINC001270789749 1185389989 /nfs/dbraw/zinc/38/99/89/1185389989.db2.gz YAEKIVIIICPZJS-OAHLLOKOSA-N 2 0 337.430 2.499 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1[NH2+]CCCF ZINC001271413142 1186198709 /nfs/dbraw/zinc/19/87/09/1186198709.db2.gz AONVNNQCSBABJN-ZBFHGGJFSA-N 2 0 345.422 2.067 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCOC1CCC1 ZINC001271495912 1186275427 /nfs/dbraw/zinc/27/54/27/1186275427.db2.gz ZQPSOOTYVNHZDJ-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCF)C2)o1 ZINC001271722325 1186394901 /nfs/dbraw/zinc/39/49/01/1186394901.db2.gz XTUFTKGZMXRKAZ-CABCVRRESA-N 2 0 339.455 2.389 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(CC)CCO1 ZINC001272042157 1187228469 /nfs/dbraw/zinc/22/84/69/1187228469.db2.gz AYQTVQAKRJDMBC-VLPTVUGRSA-N 2 0 349.519 2.129 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001482628195 1187453559 /nfs/dbraw/zinc/45/35/59/1187453559.db2.gz HZGGWBGGPQRYKM-IAGOWNOFSA-N 2 0 347.503 2.488 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482844697 1187763558 /nfs/dbraw/zinc/76/35/58/1187763558.db2.gz ARRFKAAELMPVFS-APWZRJJASA-N 2 0 347.503 2.302 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482903013 1187828836 /nfs/dbraw/zinc/82/88/36/1187828836.db2.gz VZZQYSBEPFZOLK-CQSZACIVSA-N 2 0 336.480 2.152 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482930559 1187851569 /nfs/dbraw/zinc/85/15/69/1187851569.db2.gz JDUBRQICQRUJNK-MJGOQNOKSA-N 2 0 344.503 2.345 10 0 EEAERP CCCCC[N@H+](C)CCN(C)C(=O)c1cnn(-c2ccncc2)c1 ZINC001272138656 1187948421 /nfs/dbraw/zinc/94/84/21/1187948421.db2.gz WWRNYGZTIKIUFS-UHFFFAOYSA-N 2 0 329.448 2.461 10 0 EEAERP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001483009602 1187992298 /nfs/dbraw/zinc/99/22/98/1187992298.db2.gz CJGBSDCOKCTVOB-VGOKWCNXSA-N 2 0 331.464 2.018 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc(Cl)n1 ZINC000841848559 1187993777 /nfs/dbraw/zinc/99/37/77/1187993777.db2.gz MCQKCDAMMXFBIE-GJZGRUSLSA-N 2 0 338.883 2.457 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001483025783 1188025789 /nfs/dbraw/zinc/02/57/89/1188025789.db2.gz YNVQSNFEZBSHCH-QVOQXLMASA-N 2 0 342.487 2.169 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001671389962 1193543393 /nfs/dbraw/zinc/54/33/93/1193543393.db2.gz NWZROTUDAZRZKD-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001409276799 1188587278 /nfs/dbraw/zinc/58/72/78/1188587278.db2.gz UKGLIORORWGAAC-UHFFFAOYSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001272863737 1193582560 /nfs/dbraw/zinc/58/25/60/1193582560.db2.gz APIVBRCGDXPHOE-CMPLNLGQSA-N 2 0 332.901 2.121 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@@H](C)[NH2+]Cc1ccnn1C ZINC001409348155 1189559460 /nfs/dbraw/zinc/55/94/60/1189559460.db2.gz GJEXQIFBHAZARC-HUUCEWRRSA-N 2 0 349.523 2.056 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001409383930 1189608899 /nfs/dbraw/zinc/60/88/99/1189608899.db2.gz GPVMCVMNVKYDBI-HUUCEWRRSA-N 2 0 333.476 2.020 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1C ZINC001409422371 1189653357 /nfs/dbraw/zinc/65/33/57/1189653357.db2.gz SSOSOIYNHYHWMO-JKSUJKDBSA-N 2 0 347.503 2.328 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccn(C)n1 ZINC001485895178 1193632693 /nfs/dbraw/zinc/63/26/93/1193632693.db2.gz RBBSNKVFGXELEX-OAHLLOKOSA-N 2 0 349.523 2.010 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC001485938603 1193652270 /nfs/dbraw/zinc/65/22/70/1193652270.db2.gz MFMYVCHTKUCMGW-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485942679 1193653385 /nfs/dbraw/zinc/65/33/85/1193653385.db2.gz WKHPYOGGTFBMST-CABCVRRESA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)sn1 ZINC001483272438 1190296212 /nfs/dbraw/zinc/29/62/12/1190296212.db2.gz XQHPZSFTCFEEEO-GOEBONIOSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001483356856 1190395936 /nfs/dbraw/zinc/39/59/36/1190395936.db2.gz MGUIVXSHGNIEOE-NVXWUHKLSA-N 2 0 330.476 2.382 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483446894 1190483159 /nfs/dbraw/zinc/48/31/59/1190483159.db2.gz DFVRUJVSPNMWEY-JKSUJKDBSA-N 2 0 336.480 2.088 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001483474230 1190496152 /nfs/dbraw/zinc/49/61/52/1190496152.db2.gz PODRQJJBBNJVNM-UHFFFAOYSA-N 2 0 348.491 2.051 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001483571099 1190559950 /nfs/dbraw/zinc/55/99/50/1190559950.db2.gz OYZXIGOBJFANHC-FMQFUMSTSA-N 2 0 327.900 2.344 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CC1)CC2 ZINC001486143440 1193695751 /nfs/dbraw/zinc/69/57/51/1193695751.db2.gz BVYAAPGHWGYCBC-XYJFISCASA-N 2 0 325.472 2.190 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C1CC[NH+](C)CC1 ZINC001493682688 1190740523 /nfs/dbraw/zinc/74/05/23/1190740523.db2.gz YOQYVEGHMRZXPM-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001272536881 1190870480 /nfs/dbraw/zinc/87/04/80/1190870480.db2.gz OCWUQHHSVZKBOZ-DLBZAZTESA-N 2 0 341.540 2.144 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CCNCC(F)(F)C(F)F)C1)[NH+](C)C ZINC001272616120 1190931453 /nfs/dbraw/zinc/93/14/53/1190931453.db2.gz JWKAGFXEIBXKAS-NWDGAFQWSA-N 2 0 341.393 2.055 10 0 EEAERP CCc1ccccc1CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001483790038 1191031115 /nfs/dbraw/zinc/03/11/15/1191031115.db2.gz AWNWPZSJBHRJPQ-UHFFFAOYSA-N 2 0 329.488 2.126 10 0 EEAERP COCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3cnc[nH]3)C2)C1 ZINC001483832145 1191068744 /nfs/dbraw/zinc/06/87/44/1191068744.db2.gz CYMBWAXYLCDMBH-IBGZPJMESA-N 2 0 348.491 2.038 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001483899953 1191107235 /nfs/dbraw/zinc/10/72/35/1191107235.db2.gz BVJHPKVDLOPVJY-IAGOWNOFSA-N 2 0 349.523 2.218 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001483910467 1191120885 /nfs/dbraw/zinc/12/08/85/1191120885.db2.gz ZNSLXYWVHZUDFX-SJLPKXTDSA-N 2 0 346.519 2.173 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1)C1CCC1 ZINC001483934376 1191123463 /nfs/dbraw/zinc/12/34/63/1191123463.db2.gz PEJWOCQEOHNXCV-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001484002049 1191151548 /nfs/dbraw/zinc/15/15/48/1191151548.db2.gz DWMLEKKOQPCLEK-ZWKOTPCHSA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484197657 1191269090 /nfs/dbraw/zinc/26/90/90/1191269090.db2.gz CBHGAMVLXJALSQ-OAHLLOKOSA-N 2 0 345.478 2.448 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccccc1)C2 ZINC001484317338 1191301423 /nfs/dbraw/zinc/30/14/23/1191301423.db2.gz DXOLWSGETYKXRW-FHWLQOOXSA-N 2 0 329.488 2.150 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccccn1 ZINC001484464925 1191369299 /nfs/dbraw/zinc/36/92/99/1191369299.db2.gz LLCOVTCDINHGMR-RBUKOAKNSA-N 2 0 344.503 2.379 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1cnc(C)o1 ZINC001484466807 1191371665 /nfs/dbraw/zinc/37/16/65/1191371665.db2.gz WYKVESIIBYPYDC-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC[C@@H]3CCCC3(F)F)CCC2)C1 ZINC001484662435 1191462722 /nfs/dbraw/zinc/46/27/22/1191462722.db2.gz GQNAEDWDBWIGSO-GJZGRUSLSA-N 2 0 343.462 2.392 10 0 EEAERP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484811897 1191533157 /nfs/dbraw/zinc/53/31/57/1191533157.db2.gz COSZQKHKXJUIAW-DLBZAZTESA-N 2 0 339.524 2.255 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001484876567 1191559921 /nfs/dbraw/zinc/55/99/21/1191559921.db2.gz MURMUWZDKPXPOL-KZNAEPCWSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001484902942 1191566105 /nfs/dbraw/zinc/56/61/05/1191566105.db2.gz GNUMDQBANNNULP-QFBILLFUSA-N 2 0 347.503 2.223 10 0 EEAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1)OC ZINC001484924054 1191576926 /nfs/dbraw/zinc/57/69/26/1191576926.db2.gz IAKQODCCRDMLCT-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF)[NH+](C)C ZINC001485044066 1191624377 /nfs/dbraw/zinc/62/43/77/1191624377.db2.gz LHRSHLLQEGIPRY-KZNAEPCWSA-N 2 0 335.467 2.304 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001485093777 1191653577 /nfs/dbraw/zinc/65/35/77/1191653577.db2.gz KJVNPGJLHUWBPY-VJFUWPCTSA-N 2 0 335.467 2.396 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485206251 1191693021 /nfs/dbraw/zinc/69/30/21/1191693021.db2.gz IIPSJCHKAVOTIG-OLZOCXBDSA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cncc(F)c1 ZINC001485265973 1191711108 /nfs/dbraw/zinc/71/11/08/1191711108.db2.gz PLPVXMOFTDPRGG-UHFFFAOYSA-N 2 0 338.471 2.135 10 0 EEAERP Cc1cc(C)cc(OCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001485386090 1191774093 /nfs/dbraw/zinc/77/40/93/1191774093.db2.gz TYBKXHUMHSDQSN-ZWKOTPCHSA-N 2 0 347.503 2.070 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCCC1 ZINC001485448514 1191788700 /nfs/dbraw/zinc/78/87/00/1191788700.db2.gz VIKDBJWCSBDOHN-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001485457640 1191796776 /nfs/dbraw/zinc/79/67/76/1191796776.db2.gz RGLYZNLASPJEAG-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001486378880 1193889325 /nfs/dbraw/zinc/88/93/25/1193889325.db2.gz CZEBHJVNMZAFHA-UHFFFAOYSA-N 2 0 332.492 2.155 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC[C@@H]2CCCO2)C(C)(C)C)CCC1 ZINC001486398170 1193898655 /nfs/dbraw/zinc/89/86/55/1193898655.db2.gz DHCGIEFOBQVIPW-HOTGVXAUSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCOC)CC1 ZINC001486446572 1193961072 /nfs/dbraw/zinc/96/10/72/1193961072.db2.gz QFSZJLBJGWOLFA-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2ncccc2C)CC1)[NH+](C)C ZINC001486449577 1193964632 /nfs/dbraw/zinc/96/46/32/1193964632.db2.gz YUGMLJPUVARUDD-LPHOPBHVSA-N 2 0 346.519 2.447 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001486510090 1194027304 /nfs/dbraw/zinc/02/73/04/1194027304.db2.gz SRKCMIYAVCPHDH-VMWRSERWSA-N 2 0 339.499 2.461 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)co1 ZINC001273205321 1197532988 /nfs/dbraw/zinc/53/29/88/1197532988.db2.gz YRRUKCXCMVDESC-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001410399243 1197803073 /nfs/dbraw/zinc/80/30/73/1197803073.db2.gz UZIASTNQABGYKN-APWZRJJASA-N 2 0 347.503 2.254 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001410459298 1197939460 /nfs/dbraw/zinc/93/94/60/1197939460.db2.gz XXZQINGVENCNCF-WBVHZDCISA-N 2 0 336.480 2.182 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001410489379 1198042768 /nfs/dbraw/zinc/04/27/68/1198042768.db2.gz AIAJBAPWPARKND-OAHLLOKOSA-N 2 0 328.460 2.200 10 0 EEAERP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158871 1198065272 /nfs/dbraw/zinc/06/52/72/1198065272.db2.gz YPZWXIPFPIPZIV-BQFCYCMXSA-N 2 0 339.524 2.147 10 0 EEAERP Cc1cccc(NC(=S)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000865244606 1198138368 /nfs/dbraw/zinc/13/83/68/1198138368.db2.gz BQUFBMRMPYFAGN-HZPDHXFCSA-N 2 0 334.533 2.363 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000865251195 1198141046 /nfs/dbraw/zinc/14/10/46/1198141046.db2.gz MWOAVTBWSLGHFF-MRXNPFEDSA-N 2 0 338.565 2.153 10 0 EEAERP CCN(CC[NH2+]Cc1conc1C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001273373762 1198385922 /nfs/dbraw/zinc/38/59/22/1198385922.db2.gz DAPLHVGJLGKAAK-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP c1cn(-c2ncccc2C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cn1 ZINC000873212267 1198531742 /nfs/dbraw/zinc/53/17/42/1198531742.db2.gz YHCCSOJDKORKDT-UHFFFAOYSA-N 2 0 325.441 2.264 10 0 EEAERP c1ncn(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccn2)n1 ZINC000873236446 1198538201 /nfs/dbraw/zinc/53/82/01/1198538201.db2.gz BCQUBDWJQVULRB-IXDOHACOSA-N 2 0 326.448 2.063 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949412 1198615124 /nfs/dbraw/zinc/61/51/24/1198615124.db2.gz IKPBANUJWHWVGX-KBPBESRZSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001411215960 1198924727 /nfs/dbraw/zinc/92/47/27/1198924727.db2.gz YWXBBNJQGJXZLE-DLBZAZTESA-N 2 0 332.492 2.105 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001411230395 1198940843 /nfs/dbraw/zinc/94/08/43/1198940843.db2.gz CLSCUIISIQNNNB-ZIAGYGMSSA-N 2 0 335.414 2.107 10 0 EEAERP Cc1cncc(C[NH+]2CCC([C@H](C)NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001411255403 1198981912 /nfs/dbraw/zinc/98/19/12/1198981912.db2.gz BCNLSAHKQUZHNV-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001411255793 1198983068 /nfs/dbraw/zinc/98/30/68/1198983068.db2.gz VOQLJCZBNZMMRN-LEOMRAHMSA-N 2 0 348.491 2.182 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810583509 1199606185 /nfs/dbraw/zinc/60/61/85/1199606185.db2.gz WRYJESRKNCDDGD-CRAIPNDOSA-N 2 0 344.471 2.099 10 0 EEAERP Cc1ccccc1C[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016388 1200409098 /nfs/dbraw/zinc/40/90/98/1200409098.db2.gz MVJNKHMXHIRLEE-DFQSSKMNSA-N 2 0 345.531 2.371 10 0 EEAERP Cc1[nH]c2ccccc2c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024227 1200412782 /nfs/dbraw/zinc/41/27/82/1200412782.db2.gz LLTCGRBEWRADTR-HZPDHXFCSA-N 2 0 342.487 2.288 10 0 EEAERP C[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870946948 1200971020 /nfs/dbraw/zinc/97/10/20/1200971020.db2.gz LZLRHWMBHMQWFA-GXFFZTMASA-N 2 0 328.254 2.083 10 0 EEAERP CC(C)[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000870953503 1200974343 /nfs/dbraw/zinc/97/43/43/1200974343.db2.gz BLBANMLMQGFCEV-UHFFFAOYSA-N 2 0 332.492 2.384 10 0 EEAERP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866665673 1201574067 /nfs/dbraw/zinc/57/40/67/1201574067.db2.gz HYNQQAXTIGYDTJ-STQMWFEESA-N 2 0 341.297 2.394 10 0 EEAERP CC(=O)c1c(C)cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000881068209 1201631819 /nfs/dbraw/zinc/63/18/19/1201631819.db2.gz SACROOOHHXRJLG-UHFFFAOYSA-N 2 0 348.491 2.463 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCCc2ccsc2)CC[N@@H+]1C ZINC001274036352 1204339561 /nfs/dbraw/zinc/33/95/61/1204339561.db2.gz MZHDAPAWHZLFFN-GILVVUIESA-N 2 0 335.517 2.283 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1F ZINC001274133349 1204395012 /nfs/dbraw/zinc/39/50/12/1204395012.db2.gz KHIBMGDQDVPHFD-QWNKOJSDSA-N 2 0 333.451 2.115 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001274161018 1204419803 /nfs/dbraw/zinc/41/98/03/1204419803.db2.gz FLURGDWFUZFZBW-IHWYPQMZSA-N 2 0 327.472 2.385 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001274498039 1205057798 /nfs/dbraw/zinc/05/77/98/1205057798.db2.gz CTJYPVMQDPOSQH-YPQKKHBXSA-N 2 0 335.879 2.444 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1)[NH+](C)C ZINC001274506419 1205060655 /nfs/dbraw/zinc/06/06/55/1205060655.db2.gz AQGMFHXIYYMTOB-IYKSTZQJSA-N 2 0 331.451 2.414 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001274633157 1205106221 /nfs/dbraw/zinc/10/62/21/1205106221.db2.gz FVXKSCAFNSDYBL-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275219588 1205283792 /nfs/dbraw/zinc/28/37/92/1205283792.db2.gz VAODEEUURWETCL-KRWDZBQOSA-N 2 0 345.487 2.097 10 0 EEAERP C[C@@H]([NH2+]CCCc1ccsc1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275541061 1205402370 /nfs/dbraw/zinc/40/23/70/1205402370.db2.gz OQOKWLLCPOBJLG-CABCVRRESA-N 2 0 335.517 2.259 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275571147 1205420602 /nfs/dbraw/zinc/42/06/02/1205420602.db2.gz NWGDWLAFBUIJFT-CHWSQXEVSA-N 2 0 326.872 2.058 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001411611168 1205452534 /nfs/dbraw/zinc/45/25/34/1205452534.db2.gz JGRLUNISXGMMPP-RTBURBONSA-N 2 0 331.504 2.396 10 0 EEAERP CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCC3)C2)(c2ccccc2)CC1 ZINC001412362660 1205705367 /nfs/dbraw/zinc/70/53/67/1205705367.db2.gz HPUVFFWFZHKWTB-IBGZPJMESA-N 2 0 341.499 2.347 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000924806893 1206034757 /nfs/dbraw/zinc/03/47/57/1206034757.db2.gz GSUNVFJJSPEEGE-NNXNONAVSA-N 2 0 347.478 2.129 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000925327514 1206097655 /nfs/dbraw/zinc/09/76/55/1206097655.db2.gz GCMIFKBRMVIDBG-WMZOPIPTSA-N 2 0 332.492 2.161 10 0 EEAERP C[C@H]1[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925331880 1206098234 /nfs/dbraw/zinc/09/82/34/1206098234.db2.gz XWEQVCKDTCFHLM-QFBILLFUSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925521869 1206122467 /nfs/dbraw/zinc/12/24/67/1206122467.db2.gz KQKJCGSLWXMLQK-NZSAHSFTSA-N 2 0 328.504 2.057 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925539407 1206124909 /nfs/dbraw/zinc/12/49/09/1206124909.db2.gz WIUFRXIMOGUZSQ-CEXWTWQISA-N 2 0 348.487 2.495 10 0 EEAERP O=C(CCc1ccccc1)N1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925593545 1206133547 /nfs/dbraw/zinc/13/35/47/1206133547.db2.gz JRVLFFSMOFLSAS-IBGZPJMESA-N 2 0 341.499 2.484 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664236 1206141219 /nfs/dbraw/zinc/14/12/19/1206141219.db2.gz DNVCSQMWACYUGA-PLLDYVMSSA-N 2 0 328.460 2.411 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000925673909 1206142530 /nfs/dbraw/zinc/14/25/30/1206142530.db2.gz ZQHWPFOWKLIRJU-KBPBESRZSA-N 2 0 329.444 2.168 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)C12CCC2 ZINC000925708285 1206145258 /nfs/dbraw/zinc/14/52/58/1206145258.db2.gz RVWGNGRBOHOAGB-MOPGFXCFSA-N 2 0 340.515 2.201 10 0 EEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925801006 1206155045 /nfs/dbraw/zinc/15/50/45/1206155045.db2.gz IEOBPQPJXXNFIP-GYXIZQIFSA-N 2 0 330.538 2.490 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925803283 1206155265 /nfs/dbraw/zinc/15/52/65/1206155265.db2.gz WUBRNYNVKADTJW-GADNRMJZSA-N 2 0 328.522 2.100 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925853256 1206160847 /nfs/dbraw/zinc/16/08/47/1206160847.db2.gz GIWCZSYZGFDPDH-DOTOQJQBSA-N 2 0 332.419 2.478 10 0 EEAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925880331 1206163458 /nfs/dbraw/zinc/16/34/58/1206163458.db2.gz JNEIGHUAULPFOR-UAFMIMERSA-N 2 0 330.472 2.437 10 0 EEAERP C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)COc3ccc4cc[nH]c4c3)C2)C1 ZINC000930575600 1206567867 /nfs/dbraw/zinc/56/78/67/1206567867.db2.gz BOTLYZVCMJUZIW-PXNSSMCTSA-N 2 0 343.471 2.325 10 0 EEAERP OC1(CC[NH2+][C@H]2CCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000718012373 1211701292 /nfs/dbraw/zinc/70/12/92/1211701292.db2.gz ULMLUNNLKFNPPA-SFHVURJKSA-N 2 0 340.471 2.335 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837846 1248818499 /nfs/dbraw/zinc/81/84/99/1248818499.db2.gz MJQSSGAWDYPJHR-UKRRQHHQSA-N 2 0 338.883 2.280 10 0 EEAERP CN1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000900414157 1234331251 /nfs/dbraw/zinc/33/12/51/1234331251.db2.gz FTQOXMKZZVYQPR-AZUAARDMSA-N 2 0 345.487 2.456 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827076533 1249790969 /nfs/dbraw/zinc/79/09/69/1249790969.db2.gz ROPITQBPBXPKPW-DZGCQCFKSA-N 2 0 338.883 2.424 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000903432671 1240458591 /nfs/dbraw/zinc/45/85/91/1240458591.db2.gz JUHGJGKZXPCPER-MJGOQNOKSA-N 2 0 329.488 2.451 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[NH+]2CCCCCC2)cc(Cl)n1 ZINC000826903057 1248115898 /nfs/dbraw/zinc/11/58/98/1248115898.db2.gz QZXFQOUDBHXNCA-HNNXBMFYSA-N 2 0 338.883 2.426 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935043 1248130451 /nfs/dbraw/zinc/13/04/51/1248130451.db2.gz SHLPQAVLIACMLL-DZGCQCFKSA-N 2 0 338.883 2.424 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001491191597 1258757150 /nfs/dbraw/zinc/75/71/50/1258757150.db2.gz ULPYHUIYINLAFT-CYBMUJFWSA-N 2 0 336.307 2.474 10 0 EEAERP CC(C)COCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001491212949 1258786695 /nfs/dbraw/zinc/78/66/95/1258786695.db2.gz FLBOVPKZQXEWPW-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)co1 ZINC001491352726 1258984406 /nfs/dbraw/zinc/98/44/06/1258984406.db2.gz YEYGRVFRZXMOPF-LEOMRAHMSA-N 2 0 348.491 2.374 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001491454451 1259098369 /nfs/dbraw/zinc/09/83/69/1259098369.db2.gz JLOGBPJNKPLEPN-CRAIPNDOSA-N 2 0 333.476 2.162 10 0 EEAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001491486773 1259136421 /nfs/dbraw/zinc/13/64/21/1259136421.db2.gz OVUFVHDYSZAFNA-NWDGAFQWSA-N 2 0 344.912 2.265 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1Cl)[NH+](C)C ZINC001491493873 1259144570 /nfs/dbraw/zinc/14/45/70/1259144570.db2.gz AJVSUKOVUXRRSH-XJKSGUPXSA-N 2 0 325.884 2.317 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001277866160 1304973711 /nfs/dbraw/zinc/97/37/11/1304973711.db2.gz QFUDEROLEBCYID-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1ccccc1OCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001489312040 1290540234 /nfs/dbraw/zinc/54/02/34/1290540234.db2.gz SEZDPECXFPFPJV-MSOLQXFVSA-N 2 0 347.503 2.293 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cc3ccccc3o2)C2CC2)C1 ZINC001490735931 1291645174 /nfs/dbraw/zinc/64/51/74/1291645174.db2.gz OXXKCFXSNGBWIB-AEFFLSMTSA-N 2 0 341.455 2.369 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000852760389 1292189806 /nfs/dbraw/zinc/18/98/06/1292189806.db2.gz FDXZCRBUJCQSFB-MRXNPFEDSA-N 2 0 346.427 2.041 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000854231832 1292681245 /nfs/dbraw/zinc/68/12/45/1292681245.db2.gz NLBMCICYHZFBPN-AWEZNQCLSA-N 2 0 329.554 2.487 10 0 EEAERP CCN1CCC([N@@H+]2CCCN(Cc3cn(C)nc3Cl)CC2)CC1 ZINC000857047598 1293706605 /nfs/dbraw/zinc/70/66/05/1293706605.db2.gz NVTUNZBMFBJMPS-UHFFFAOYSA-N 2 0 339.915 2.066 10 0 EEAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542898 1296327683 /nfs/dbraw/zinc/32/76/83/1296327683.db2.gz UGDHXGTVCAQCAV-QOKNQOGYSA-N 2 0 328.412 2.094 10 0 EEAERP CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863575295 1296340985 /nfs/dbraw/zinc/34/09/85/1296340985.db2.gz OKUAYQMZSFDTMN-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP c1c(C2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000886841097 1296774074 /nfs/dbraw/zinc/77/40/74/1296774074.db2.gz BXWOSSXGIVVREY-FXAWDEMLSA-N 2 0 344.503 2.483 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCCCC(F)(F)F)C[C@H]21 ZINC001276750906 1297352504 /nfs/dbraw/zinc/35/25/04/1297352504.db2.gz ROXCOUOLALDVMA-QKDCVEJESA-N 2 0 349.441 2.353 10 0 EEAERP O=C(Cc1cn2c(n1)CCCC2)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001276854001 1299936887 /nfs/dbraw/zinc/93/68/87/1299936887.db2.gz QFSZMNYMYGUUBQ-GOSISDBHSA-N 2 0 342.487 2.453 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001277193538 1301773414 /nfs/dbraw/zinc/77/34/14/1301773414.db2.gz ICRVDPZOMVHCMX-JFIYKMOQSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](CCCNCc1ncc(C2CC2)o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277265618 1302079546 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339.524 2.257 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001265058346 1322898511 /nfs/dbraw/zinc/89/85/11/1322898511.db2.gz QWHKSENFNZXDAJ-UHFFFAOYSA-N 2 0 345.487 2.038 10 0 EEAERP C[C@@H]1C[C@@H](C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001265072845 1322908061 /nfs/dbraw/zinc/90/80/61/1322908061.db2.gz HUGLHLULYYHVSS-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001265199823 1322980617 /nfs/dbraw/zinc/98/06/17/1322980617.db2.gz CQVCGRFKIYZYMD-UHFFFAOYSA-N 2 0 347.503 2.321 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001265631979 1323281189 /nfs/dbraw/zinc/28/11/89/1323281189.db2.gz BEVSJXRNTJCMTM-AWEZNQCLSA-N 2 0 337.430 2.499 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265656199 1323302429 /nfs/dbraw/zinc/30/24/29/1323302429.db2.gz YBBTXFZDUNTWOG-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C\c2ccccc2)C1 ZINC001265923669 1323490231 /nfs/dbraw/zinc/49/02/31/1323490231.db2.gz URSAXYJLVJMWNC-TWVNLXSWSA-N 2 0 329.488 2.480 10 0 EEAERP O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001266138647 1323708803 /nfs/dbraw/zinc/70/88/03/1323708803.db2.gz OGEMHYONUYYROG-GLFZQWEOSA-N 2 0 325.884 2.051 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CCCC[N@H+]2C)co1 ZINC001266227964 1323803578 /nfs/dbraw/zinc/80/35/78/1323803578.db2.gz BGIGOSFXFDJLHE-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001280062072 1324072715 /nfs/dbraw/zinc/07/27/15/1324072715.db2.gz JXOQLKDZYRHRDO-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143464 1324094945 /nfs/dbraw/zinc/09/49/45/1324094945.db2.gz VZADFWJFPVSAPV-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2cscn2)CC1 ZINC001280770618 1324497518 /nfs/dbraw/zinc/49/75/18/1324497518.db2.gz UDXGCPGGVJGMEV-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CCCCOCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC001276593662 1324687684 /nfs/dbraw/zinc/68/76/84/1324687684.db2.gz NIWLSARMPAIHAO-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641286 1324939531 /nfs/dbraw/zinc/93/95/31/1324939531.db2.gz LESWAWKHSWXIAN-DLBZAZTESA-N 2 0 325.472 2.237 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001276686152 1325342290 /nfs/dbraw/zinc/34/22/90/1325342290.db2.gz DLDVLGCOECHSGX-ICSRJNTNSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001283090698 1325915524 /nfs/dbraw/zinc/91/55/24/1325915524.db2.gz BPUITDQNNLYQRV-KSSZKHRDSA-N 2 0 327.900 2.344 10 0 EEAERP CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001284017459 1326364567 /nfs/dbraw/zinc/36/45/67/1326364567.db2.gz OKOGBJZWVIOQHW-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001284150378 1326436536 /nfs/dbraw/zinc/43/65/36/1326436536.db2.gz BWQZCHPANIGATG-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001284651913 1326647045 /nfs/dbraw/zinc/64/70/45/1326647045.db2.gz COURZQRUQHSXNH-IRXDYDNUSA-N 2 0 339.524 2.041 10 0 EEAERP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCF)CC1 ZINC001284712420 1326678839 /nfs/dbraw/zinc/67/88/39/1326678839.db2.gz MHEFYROUAFDFOG-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284737808 1326689739 /nfs/dbraw/zinc/68/97/39/1326689739.db2.gz NSHGRIAWDRSIOS-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCCC2CCC2)C1 ZINC001284764636 1326701996 /nfs/dbraw/zinc/70/19/96/1326701996.db2.gz HAGGZVQBVYLCQJ-CTWPCTMYSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC001296258302 1329877560 /nfs/dbraw/zinc/87/75/60/1329877560.db2.gz NGMVMAZKPDFCEX-LZQZEXGQSA-N 2 0 327.472 2.098 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001491885702 1330289006 /nfs/dbraw/zinc/28/90/06/1330289006.db2.gz IRQFXQRVNFLXOT-QZTJIDSGSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)oc1C ZINC001491895974 1330294217 /nfs/dbraw/zinc/29/42/17/1330294217.db2.gz JOCOXBZMRYQRAD-JKSUJKDBSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccon1 ZINC001492071256 1330444110 /nfs/dbraw/zinc/44/41/10/1330444110.db2.gz CPUCVXUGWOQDNW-CRAIPNDOSA-N 2 0 348.491 2.456 10 0 EEAERP Cc1cncc(C[N@H+]2CCC[C@H]2CCCNC(=O)CC[NH+](C)C)c1 ZINC001492165611 1331030705 /nfs/dbraw/zinc/03/07/05/1331030705.db2.gz YJULROGFMDITQQ-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCCF)CC[N@@H+]1C ZINC001492166152 1331031588 /nfs/dbraw/zinc/03/15/88/1331031588.db2.gz HXMIENQARWVTJA-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001316756579 1331875213 /nfs/dbraw/zinc/87/52/13/1331875213.db2.gz GGHURDTZPJWOPJ-BSMJBHPZSA-N 2 0 333.520 2.465 10 0 EEAERP C[C@@H](c1nc2ccccc2o1)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316843901 1331929416 /nfs/dbraw/zinc/92/94/16/1331929416.db2.gz VLGYFPAYJOYQEV-GOEBONIOSA-N 2 0 344.459 2.421 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001317307564 1332173113 /nfs/dbraw/zinc/17/31/13/1332173113.db2.gz FUYWJGBYAHSLBN-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001317339108 1332185232 /nfs/dbraw/zinc/18/52/32/1332185232.db2.gz QIZFPHWKJSTTHP-CEJLMLBOSA-N 2 0 345.890 2.390 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCCC(F)(F)F)C1 ZINC001317515142 1332277136 /nfs/dbraw/zinc/27/71/36/1332277136.db2.gz GPIYGQYTCOANEA-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001317599385 1332318645 /nfs/dbraw/zinc/31/86/45/1332318645.db2.gz UJZFUKFPTKJSQX-RDJZCZTQSA-N 2 0 348.491 2.110 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317852970 1332431602 /nfs/dbraw/zinc/43/16/02/1332431602.db2.gz HVJQGJUPFSYKOB-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001318224705 1332491740 /nfs/dbraw/zinc/49/17/40/1332491740.db2.gz TYKYJPRHEOAPAI-JYJNAYRXSA-N 2 0 343.462 2.439 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319511553 1332714060 /nfs/dbraw/zinc/71/40/60/1332714060.db2.gz PDYDELQSDPILQN-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCF)C1 ZINC001319769168 1332763036 /nfs/dbraw/zinc/76/30/36/1332763036.db2.gz KORBJZYEXXETKR-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1c(C(=O)NC[C@@H]([NH2+]CCC[C@@H](C)O)C(C)C)ccc2c[nH+]cn21 ZINC001319923000 1332798322 /nfs/dbraw/zinc/79/83/22/1332798322.db2.gz VITOTCPCUPSDAK-RDTXWAMCSA-N 2 0 346.475 2.148 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423855 1332880068 /nfs/dbraw/zinc/88/00/68/1332880068.db2.gz WUEVPTXTPFPZRL-RZQQEMMASA-N 2 0 343.515 2.500 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320547966 1332907660 /nfs/dbraw/zinc/90/76/60/1332907660.db2.gz IGOAJNNOIATHAQ-CVEARBPZSA-N 2 0 345.487 2.043 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001320561413 1332910800 /nfs/dbraw/zinc/91/08/00/1332910800.db2.gz GDLPDTSXPAENQQ-HUUCEWRRSA-N 2 0 336.480 2.232 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643961 1332927648 /nfs/dbraw/zinc/92/76/48/1332927648.db2.gz ICKJQHMHXYOADD-UKRRQHHQSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321063612 1333008644 /nfs/dbraw/zinc/00/86/44/1333008644.db2.gz IOMZBTFSGJAAKC-AXMVSILFSA-N 2 0 345.462 2.238 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001321120409 1333023705 /nfs/dbraw/zinc/02/37/05/1333023705.db2.gz IJKZCOMDZLEMQW-ZRHASKPBSA-N 2 0 340.471 2.414 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2)C12CC[NH+](CC1)C2 ZINC001321336313 1333077750 /nfs/dbraw/zinc/07/77/50/1333077750.db2.gz KEIHEXDBQDIJNE-OWOJBTEDSA-N 2 0 339.483 2.033 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322549346 1333280971 /nfs/dbraw/zinc/28/09/71/1333280971.db2.gz MQCQBDHBAFANSK-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322830550 1333335541 /nfs/dbraw/zinc/33/55/41/1333335541.db2.gz BWPDANXQCSEHRT-OALUTQOASA-N 2 0 343.515 2.496 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001322852229 1333341045 /nfs/dbraw/zinc/34/10/45/1333341045.db2.gz KNOIVBMZQWGHLR-SFHVURJKSA-N 2 0 344.459 2.224 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001324092081 1333607651 /nfs/dbraw/zinc/60/76/51/1333607651.db2.gz XZWFPUBHKQUDOG-RHSMWYFYSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001324224678 1333638245 /nfs/dbraw/zinc/63/82/45/1333638245.db2.gz DMLFMRZZUUNMNT-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP CC(C)OCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001324749789 1333751909 /nfs/dbraw/zinc/75/19/09/1333751909.db2.gz BUOPBHXJFDQEGM-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325416020 1333882274 /nfs/dbraw/zinc/88/22/74/1333882274.db2.gz KMBGTAQUSGUHQY-LSDHHAIUSA-N 2 0 344.459 2.430 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326366191 1334077574 /nfs/dbraw/zinc/07/75/74/1334077574.db2.gz ZRXFKVVCYDLSNH-AEFFLSMTSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1)[NH+](C)C ZINC001326412407 1334088257 /nfs/dbraw/zinc/08/82/57/1334088257.db2.gz SKTWODAOXKDRJT-HKUYNNGSSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001326435967 1334093363 /nfs/dbraw/zinc/09/33/63/1334093363.db2.gz ADJFSSXFPROOST-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCCCF)CC2)[NH+](C)C ZINC001326598831 1334122577 /nfs/dbraw/zinc/12/25/77/1334122577.db2.gz LLTIRIDRIDATAB-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001327531920 1334310840 /nfs/dbraw/zinc/31/08/40/1334310840.db2.gz WAIURIINICCJMJ-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)cc1 ZINC001328713355 1334505494 /nfs/dbraw/zinc/50/54/94/1334505494.db2.gz GYTHKXWLASMNOB-BZSNNMDCSA-N 2 0 348.466 2.402 10 0 EEAERP Cc1ncoc1C[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330932193 1334929780 /nfs/dbraw/zinc/92/97/80/1334929780.db2.gz OMAIHVFJWROCIW-CQSZACIVSA-N 2 0 336.480 2.089 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCCCF)C2)CC1 ZINC001332301605 1335796260 /nfs/dbraw/zinc/79/62/60/1335796260.db2.gz NINXPKUMBGCTHQ-WBVHZDCISA-N 2 0 327.488 2.343 10 0 EEAERP C[N@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001480084011 1337831852 /nfs/dbraw/zinc/83/18/52/1337831852.db2.gz FGMOPWOKNQXJFP-SJORKVTESA-N 2 0 348.491 2.082 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001480515774 1338274189 /nfs/dbraw/zinc/27/41/89/1338274189.db2.gz IVRUCLRRRHGNIO-INIZCTEOSA-N 2 0 347.503 2.302 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001480531030 1338309734 /nfs/dbraw/zinc/30/97/34/1338309734.db2.gz SVQNFRIXUWGCCK-ZIAGYGMSSA-N 2 0 331.451 2.248 10 0 EEAERP CC(C)OCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001666195684 1355481928 /nfs/dbraw/zinc/48/19/28/1355481928.db2.gz XRIWCTUIVGNTBI-GOSISDBHSA-N 2 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CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568775919 1342853970 /nfs/dbraw/zinc/85/39/70/1342853970.db2.gz QFMZKSBYTWLYND-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@H]1C ZINC001569528755 1342893223 /nfs/dbraw/zinc/89/32/23/1342893223.db2.gz YGYAODZKAMZUME-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3cnoc3C)C2)CC[N@@H+]1C ZINC001569981288 1342987386 /nfs/dbraw/zinc/98/73/86/1342987386.db2.gz GNKRDABFBUVLOP-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cccc(CCC[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001570581566 1343088416 /nfs/dbraw/zinc/08/84/16/1343088416.db2.gz ZQSFEKSDMNEHRK-IOJLRTSASA-N 2 0 343.515 2.364 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CCCC[NH+](C)C ZINC001571490281 1343218482 /nfs/dbraw/zinc/21/84/82/1343218482.db2.gz BNNWUWIETNIMNG-ZFWWWQNUSA-N 2 0 331.451 2.343 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC([NH2+]CCCF)C1 ZINC001571660297 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JPZNAANTBISJPG-IBGZPJMESA-N 2 0 349.519 2.036 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2c(C)onc2CC)CC1 ZINC001677624875 1357376173 /nfs/dbraw/zinc/37/61/73/1357376173.db2.gz WSABNMBYYKWKTH-UHFFFAOYSA-N 2 0 348.491 2.136 10 0 EEAERP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001645633710 1352793660 /nfs/dbraw/zinc/79/36/60/1352793660.db2.gz ZODSOFWDKYROHL-IAGOWNOFSA-N 2 0 336.455 2.210 10 0 EEAERP CCC/C=C/CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001649456154 1353515147 /nfs/dbraw/zinc/51/51/47/1353515147.db2.gz HAQVFNFAKBKTGG-LXXRFIIISA-N 2 0 337.508 2.034 10 0 EEAERP COCCCC[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001649460322 1353517094 /nfs/dbraw/zinc/51/70/94/1353517094.db2.gz FTEMQAXLNBPREN-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCOC(=O)COCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001654512211 1354150811 /nfs/dbraw/zinc/15/08/11/1354150811.db2.gz JNEFFSNSIGZUCX-KRWDZBQOSA-N 2 0 326.481 2.153 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001656741715 1354270496 /nfs/dbraw/zinc/27/04/96/1354270496.db2.gz ZTBOVXIRYGACLH-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001656889012 1354294074 /nfs/dbraw/zinc/29/40/74/1354294074.db2.gz COWZATQTPHLWMX-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001656910140 1354298860 /nfs/dbraw/zinc/29/88/60/1354298860.db2.gz VHNJELIMFUYKCR-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001660207483 1354417253 /nfs/dbraw/zinc/41/72/53/1354417253.db2.gz BUWOIWIVTXZWLC-FGTMMUONSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1noc(C)c1C[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001660722986 1354526107 /nfs/dbraw/zinc/52/61/07/1354526107.db2.gz QWDNHQJFMVPYEN-CQSZACIVSA-N 2 0 348.491 2.104 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1 ZINC001661369519 1354632118 /nfs/dbraw/zinc/63/21/18/1354632118.db2.gz JJAAQPHBUKPHAH-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001662761632 1354840960 /nfs/dbraw/zinc/84/09/60/1354840960.db2.gz ZOJGAIPOKMORSE-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001665597211 1355330058 /nfs/dbraw/zinc/33/00/58/1355330058.db2.gz STTRGXWDGXLVGA-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001666323383 1355509191 /nfs/dbraw/zinc/50/91/91/1355509191.db2.gz MYZRVVBACYCHRX-KZNAEPCWSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001666526143 1355539978 /nfs/dbraw/zinc/53/99/78/1355539978.db2.gz UAFMEZLTPLEHQW-WMZOPIPTSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001666553604 1355543352 /nfs/dbraw/zinc/54/33/52/1355543352.db2.gz VRTLXXZHPKEXRY-HHXXYDBFSA-N 2 0 349.494 2.440 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001667216560 1355676064 /nfs/dbraw/zinc/67/60/64/1355676064.db2.gz IXYKAZGSDYPKSB-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668308890 1355920036 /nfs/dbraw/zinc/92/00/36/1355920036.db2.gz BTISGMRGNIRSQD-NWDGAFQWSA-N 2 0 329.897 2.338 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001668319133 1355922623 /nfs/dbraw/zinc/92/26/23/1355922623.db2.gz DNTUCDSZFACNKL-OAHLLOKOSA-N 2 0 330.476 2.493 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001668381588 1355931797 /nfs/dbraw/zinc/93/17/97/1355931797.db2.gz CPSYZZAWYNBTQE-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668610078 1355972798 /nfs/dbraw/zinc/97/27/98/1355972798.db2.gz XVPHMUDZRQFCRX-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001669000957 1356065118 /nfs/dbraw/zinc/06/51/18/1356065118.db2.gz IKXOSONHWMZDBW-OIIZEAPSSA-N 2 0 329.488 2.221 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001671805591 1356418981 /nfs/dbraw/zinc/41/89/81/1356418981.db2.gz UTGOKTAAKXRORW-HXUWFJFHSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001672910058 1356613114 /nfs/dbraw/zinc/61/31/14/1356613114.db2.gz KJGBGHFDPLWMBT-SJLPKXTDSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001672911428 1356613394 /nfs/dbraw/zinc/61/33/94/1356613394.db2.gz VOUXBCYCMQODCW-IAGOWNOFSA-N 2 0 347.478 2.414 10 0 EEAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001673401566 1356685530 /nfs/dbraw/zinc/68/55/30/1356685530.db2.gz DABSAAGYZBUBSB-KRWDZBQOSA-N 2 0 337.508 2.034 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCCCCF)CC2)C1 ZINC001673402094 1356686725 /nfs/dbraw/zinc/68/67/25/1356686725.db2.gz OSFXNQRYKHUCKR-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001691750410 1356745134 /nfs/dbraw/zinc/74/51/34/1356745134.db2.gz PNTQZACYNNIKFR-KDURUIRLSA-N 2 0 341.499 2.199 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001674429638 1356830481 /nfs/dbraw/zinc/83/04/81/1356830481.db2.gz PTVVMEXXHUIZBC-UYAOXDASSA-N 2 0 347.503 2.123 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001674463634 1356839698 /nfs/dbraw/zinc/83/96/98/1356839698.db2.gz PVMMYXQICAEWOL-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCOC2CCC2)ccc2c[nH+]cn21 ZINC001674687829 1356876779 /nfs/dbraw/zinc/87/67/79/1356876779.db2.gz VWBKSSAEQJBYCM-ZIAGYGMSSA-N 2 0 344.459 2.308 10 0 EEAERP Cc1ncoc1C[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001675677840 1357034011 /nfs/dbraw/zinc/03/40/11/1357034011.db2.gz IZESXFJAMXJPAH-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001698919657 1405161356 /nfs/dbraw/zinc/16/13/56/1405161356.db2.gz DMRQVEWKQSACPQ-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699019363 1405233526 /nfs/dbraw/zinc/23/35/26/1405233526.db2.gz FDRVAQMTEVMGGL-QAPCUYQASA-N 2 0 344.459 2.167 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699101428 1405254807 /nfs/dbraw/zinc/25/48/07/1405254807.db2.gz WNKNBKHFCYDGPM-YJBOKZPZSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccnn1C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699111484 1405267317 /nfs/dbraw/zinc/26/73/17/1405267317.db2.gz BXJNNDRIUVZXEK-OAHLLOKOSA-N 2 0 349.523 2.058 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001699258576 1405299251 /nfs/dbraw/zinc/29/92/51/1405299251.db2.gz ITGKCKMUBHFEKW-CUKYKJKYSA-N 2 0 341.446 2.026 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)[NH+](C)C ZINC001699367039 1405341875 /nfs/dbraw/zinc/34/18/75/1405341875.db2.gz XBKQXTSIFQLXMW-ILXRZTDVSA-N 2 0 333.467 2.492 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001699545667 1405379479 /nfs/dbraw/zinc/37/94/79/1405379479.db2.gz YWDQALLHEBDYGA-UHFFFAOYSA-N 2 0 333.451 2.190 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC(F)(F)C1 ZINC001699554032 1405392429 /nfs/dbraw/zinc/39/24/29/1405392429.db2.gz IYIIUPDIUVHZHJ-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000918122852 768926589 /nfs/dbraw/zinc/92/65/89/768926589.db2.gz UZYXHWFFOWADPK-QGZVFWFLSA-N 2 0 336.524 2.378 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809615929 783226468 /nfs/dbraw/zinc/22/64/68/783226468.db2.gz GONSXKYWABAQML-UHFFFAOYSA-N 2 0 325.478 2.400 10 0 EEAERP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+](Cc2ccccc2)C1 ZINC000907960079 784989255 /nfs/dbraw/zinc/98/92/55/784989255.db2.gz LCOWPALXPSKGME-LJQANCHMSA-N 2 0 327.472 2.111 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817927427 785044748 /nfs/dbraw/zinc/04/47/48/785044748.db2.gz KPBYMHJQRWHGTJ-AGMRTUQYSA-N 2 0 343.427 2.350 10 0 EEAERP CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000819060384 785380109 /nfs/dbraw/zinc/38/01/09/785380109.db2.gz HOEHDBKYKBFKPE-MSOLQXFVSA-N 2 0 339.911 2.235 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925341167 788967427 /nfs/dbraw/zinc/96/74/27/788967427.db2.gz GDHCELNQQPQOSF-HHXXYDBFSA-N 2 0 330.476 2.043 10 0 EEAERP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923309074 789365730 /nfs/dbraw/zinc/36/57/30/789365730.db2.gz QGJZVXDCRQNLLP-RTBURBONSA-N 2 0 346.471 2.055 10 0 EEAERP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000923311319 789369965 /nfs/dbraw/zinc/36/99/65/789369965.db2.gz UTGQQDLZGNWUQN-DOTOQJQBSA-N 2 0 331.460 2.104 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000923346218 789424107 /nfs/dbraw/zinc/42/41/07/789424107.db2.gz WCQQVSDVNRIDCH-UFYCRDLUSA-N 2 0 332.488 2.464 10 0 EEAERP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000923375596 789457979 /nfs/dbraw/zinc/45/79/79/789457979.db2.gz BNHZKDQTJVJXIO-WMZOPIPTSA-N 2 0 345.487 2.494 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413604 789520941 /nfs/dbraw/zinc/52/09/41/789520941.db2.gz GLCWUKPOJJEPQU-ZMSDIMECSA-N 2 0 338.879 2.462 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439083 789562577 /nfs/dbraw/zinc/56/25/77/789562577.db2.gz CMWGWYDSGJRCNJ-BBRMVZONSA-N 2 0 342.842 2.342 10 0 EEAERP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1C ZINC000923450832 789581771 /nfs/dbraw/zinc/58/17/71/789581771.db2.gz JIHHJKQZFWCUNL-IRXDYDNUSA-N 2 0 345.487 2.460 10 0 EEAERP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923452835 789585987 /nfs/dbraw/zinc/58/59/87/789585987.db2.gz IEOOAKGAFXJIHW-DLBZAZTESA-N 2 0 345.487 2.460 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923490761 789660807 /nfs/dbraw/zinc/66/08/07/789660807.db2.gz OUUJUKAYDMLGIL-OPZJBCNKSA-N 2 0 332.444 2.168 10 0 EEAERP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC000923511121 789697752 /nfs/dbraw/zinc/69/77/52/789697752.db2.gz ZHBPAPUPSFMMNS-RYUDHWBXSA-N 2 0 325.840 2.204 10 0 EEAERP O[C@]1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716672154 796406058 /nfs/dbraw/zinc/40/60/58/796406058.db2.gz IJGLQHKIBRXMRD-ZGXWSNOMSA-N 2 0 330.472 2.171 10 0 EEAERP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000921881628 797842572 /nfs/dbraw/zinc/84/25/72/797842572.db2.gz RYENSUWUJRAFQB-YJBOKZPZSA-N 2 0 345.491 2.024 10 0 EEAERP CC(C)O[C@@]1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000922610442 801512972 /nfs/dbraw/zinc/51/29/72/801512972.db2.gz COUWQXKJSXONIB-LJQANCHMSA-N 2 0 336.476 2.301 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001566488358 1125650968 /nfs/dbraw/zinc/65/09/68/1125650968.db2.gz PFHURBPHEMTLHB-GOSISDBHSA-N 2 0 334.508 2.223 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CCC(F)(F)F)CC[N@@H+]1C ZINC001566551088 1125721784 /nfs/dbraw/zinc/72/17/84/1125721784.db2.gz HQLQEALKDRLMLR-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C2CC2)o1 ZINC001436823773 1088423480 /nfs/dbraw/zinc/42/34/80/1088423480.db2.gz XUQJUVOXTTZQJI-ROUUACIJSA-N 2 0 348.491 2.230 10 0 EEAERP C[C@H]([NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccccc1F ZINC001436825273 1088428459 /nfs/dbraw/zinc/42/84/59/1088428459.db2.gz HGTLWOWLPQAUHC-KSSFIOAISA-N 2 0 345.462 2.467 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001436843166 1088479095 /nfs/dbraw/zinc/47/90/95/1088479095.db2.gz PWKXPEIWEYXCRN-IAGOWNOFSA-N 2 0 329.504 2.493 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)O1 ZINC001436979063 1088678969 /nfs/dbraw/zinc/67/89/69/1088678969.db2.gz OYTVIEKPTGLANC-FJIDUMEYSA-N 2 0 337.508 2.057 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001437009772 1088785100 /nfs/dbraw/zinc/78/51/00/1088785100.db2.gz ZMRPANZAYJVMLA-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC001437033637 1088862532 /nfs/dbraw/zinc/86/25/32/1088862532.db2.gz FCEGSLKSAHKJSD-QGZVFWFLSA-N 2 0 335.467 2.291 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001437256877 1089388972 /nfs/dbraw/zinc/38/89/72/1089388972.db2.gz AVICJQQSVJPKMQ-PUFASFLSSA-N 2 0 335.879 2.399 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnc(-c2ccccc2)o1 ZINC001437258485 1089398555 /nfs/dbraw/zinc/39/85/55/1089398555.db2.gz BCFPUZGPGVHUCV-OAHLLOKOSA-N 2 0 344.459 2.276 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001437325275 1089492488 /nfs/dbraw/zinc/49/24/88/1089492488.db2.gz QZEPLKAZJRUUAR-JKSUJKDBSA-N 2 0 336.455 2.078 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001437402567 1089673002 /nfs/dbraw/zinc/67/30/02/1089673002.db2.gz YITNCZODSLBYRO-ZFWWWQNUSA-N 2 0 336.480 2.403 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](CCNC(=O)[C@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001437948872 1090545486 /nfs/dbraw/zinc/54/54/86/1090545486.db2.gz QSAUCDGASPOGPZ-IEBWSBKVSA-N 2 0 344.503 2.121 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cccnc1C ZINC001438308413 1090787222 /nfs/dbraw/zinc/78/72/22/1090787222.db2.gz XMQCEUSZYWMFEY-ZWKOTPCHSA-N 2 0 332.492 2.247 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1conc1C ZINC001438337515 1090813203 /nfs/dbraw/zinc/81/32/03/1090813203.db2.gz CQHVXAHURSTBHC-RDJZCZTQSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cnc(C[NH+]2CCC(CCNC(=O)CC[NH+](C)C)CC2)s1 ZINC001438458576 1090968292 /nfs/dbraw/zinc/96/82/92/1090968292.db2.gz YLORKKSFUZCWFN-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001438556247 1091048405 /nfs/dbraw/zinc/04/84/05/1091048405.db2.gz QAHYDKIKHKZVKS-KSSFIOAISA-N 2 0 333.451 2.251 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438648174 1091132347 /nfs/dbraw/zinc/13/23/47/1091132347.db2.gz FWIFENNQRJIIQW-KBPBESRZSA-N 2 0 331.451 2.343 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001438727124 1091260403 /nfs/dbraw/zinc/26/04/03/1091260403.db2.gz PRDLDYMSBYHCMV-HKUYNNGSSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001445498656 1091276078 /nfs/dbraw/zinc/27/60/78/1091276078.db2.gz HTYLZDKHDUFJDR-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]Cc1cncs1 ZINC001438771698 1091355912 /nfs/dbraw/zinc/35/59/12/1091355912.db2.gz KPDIOVBAPGTUKN-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccns2)C(C)C)CC[N@@H+]1C ZINC001438818340 1091435927 /nfs/dbraw/zinc/43/59/27/1091435927.db2.gz YEGBPGCEAHNULB-ARFHVFGLSA-N 2 0 338.521 2.104 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC001445659600 1091447849 /nfs/dbraw/zinc/44/78/49/1091447849.db2.gz UTVUBZNFKNZFEL-QWHCGFSZSA-N 2 0 327.419 2.460 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001445763675 1091614787 /nfs/dbraw/zinc/61/47/87/1091614787.db2.gz ZRXCJJXQYDECHA-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001438956374 1091648047 /nfs/dbraw/zinc/64/80/47/1091648047.db2.gz CHPZRHKCNOIPGC-AAEUAGOBSA-N 2 0 344.912 2.123 10 0 EEAERP COc1cc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)ccc1C ZINC001445848860 1091758881 /nfs/dbraw/zinc/75/88/81/1091758881.db2.gz FWRHMGNUOFRACY-AEFFLSMTSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001445876269 1091803201 /nfs/dbraw/zinc/80/32/01/1091803201.db2.gz XOGHFHRLOJCHBI-MRXNPFEDSA-N 2 0 335.467 2.291 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cncc(C)c1)C1CC1 ZINC001445945951 1091884302 /nfs/dbraw/zinc/88/43/02/1091884302.db2.gz BPPDXRQVNHVKTJ-RTBURBONSA-N 2 0 344.503 2.249 10 0 EEAERP COCC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001439240885 1091888107 /nfs/dbraw/zinc/88/81/07/1091888107.db2.gz WHOUSHQZVSNJMS-UHOSZYNNSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccccc1F)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001445959341 1091906612 /nfs/dbraw/zinc/90/66/12/1091906612.db2.gz YZVYJQGNJSLCJU-MJGOQNOKSA-N 2 0 345.462 2.152 10 0 EEAERP CC(C)(C(=O)N[C@H](C[NH2+]Cc1cncc(F)c1)C1CC1)[NH+]1CCCC1 ZINC001445963557 1091915368 /nfs/dbraw/zinc/91/53/68/1091915368.db2.gz VDTFEMADGYVMJU-QGZVFWFLSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001445982853 1091947139 /nfs/dbraw/zinc/94/71/39/1091947139.db2.gz QKNDPURVLFVAIF-HNAYVOBHSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325583 1092003614 /nfs/dbraw/zinc/00/36/14/1092003614.db2.gz KMVIWYSMWPNZPN-KXBFYZLASA-N 2 0 347.478 2.412 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001439478185 1092278610 /nfs/dbraw/zinc/27/86/10/1092278610.db2.gz UOYVOXUOZGXOAC-YOEHRIQHSA-N 2 0 345.422 2.113 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC001439515891 1092360885 /nfs/dbraw/zinc/36/08/85/1092360885.db2.gz PMGULHKVWGJGLS-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1nc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[NH+]3CCCCC3)C2)co1 ZINC001439908762 1092977221 /nfs/dbraw/zinc/97/72/21/1092977221.db2.gz JSLCNFZWSNEJKW-LJQANCHMSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440116689 1093177586 /nfs/dbraw/zinc/17/75/86/1093177586.db2.gz GMSOZOHBARBGSE-IEBWSBKVSA-N 2 0 329.488 2.152 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C/C=C\Cl)CC1 ZINC001440195177 1093263751 /nfs/dbraw/zinc/26/37/51/1093263751.db2.gz QFYXQBSSXNSPMR-PVCXWLERSA-N 2 0 325.884 2.146 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001440337195 1093482549 /nfs/dbraw/zinc/48/25/49/1093482549.db2.gz IMQGBOBVGSJJCV-MRXNPFEDSA-N 2 0 348.491 2.376 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001440478898 1093709294 /nfs/dbraw/zinc/70/92/94/1093709294.db2.gz XKZVNHYKWNLBRY-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001448649399 1093714535 /nfs/dbraw/zinc/71/45/35/1093714535.db2.gz IHRCGYAPAHOBRN-HIFRSBDPSA-N 2 0 338.521 2.261 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001448673621 1093740501 /nfs/dbraw/zinc/74/05/01/1093740501.db2.gz LSHGLUWNNSDCQG-KSSFIOAISA-N 2 0 348.491 2.363 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001440537258 1093801662 /nfs/dbraw/zinc/80/16/62/1093801662.db2.gz KBXHTOVYEILJSX-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001448730815 1093801666 /nfs/dbraw/zinc/80/16/66/1093801666.db2.gz VJADYJNAGNKQFH-ZWKOTPCHSA-N 2 0 331.504 2.316 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001440543567 1093812703 /nfs/dbraw/zinc/81/27/03/1093812703.db2.gz OPVYOXZOAHOJCD-PKOBYXMFSA-N 2 0 339.499 2.391 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001448787223 1093866467 /nfs/dbraw/zinc/86/64/67/1093866467.db2.gz PKOKKAQPVDICMD-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(O)ccc1Cl ZINC001440679827 1093937911 /nfs/dbraw/zinc/93/79/11/1093937911.db2.gz MUPFSOUTCVTVTG-ZDUSSCGKSA-N 2 0 339.867 2.126 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCc1ccccc1)CC2 ZINC001449014663 1094016681 /nfs/dbraw/zinc/01/66/81/1094016681.db2.gz OPAGBRSYRLHJLB-ICSRJNTNSA-N 2 0 329.488 2.294 10 0 EEAERP CC(C)C[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449033095 1094044317 /nfs/dbraw/zinc/04/43/17/1094044317.db2.gz SCHZITFCQKGVHU-OALUTQOASA-N 2 0 331.504 2.301 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001440815416 1094067980 /nfs/dbraw/zinc/06/79/80/1094067980.db2.gz GNQILIMKPUDUIZ-NWDGAFQWSA-N 2 0 326.510 2.085 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC001449093201 1094104256 /nfs/dbraw/zinc/10/42/56/1094104256.db2.gz SFPGAPKTZDIUQT-KRWDZBQOSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2conc2C)C(C)(C)C1 ZINC001449094022 1094104864 /nfs/dbraw/zinc/10/48/64/1094104864.db2.gz VSESNWMZSIAALR-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccccn2)CCCCC1 ZINC001441100947 1094405326 /nfs/dbraw/zinc/40/53/26/1094405326.db2.gz FQJWAJRVDPTZNN-SFHVURJKSA-N 2 0 344.503 2.475 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001441128141 1094453804 /nfs/dbraw/zinc/45/38/04/1094453804.db2.gz JTEZOAIOQJNGDM-CABCVRRESA-N 2 0 331.451 2.343 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001441128143 1094454542 /nfs/dbraw/zinc/45/45/42/1094454542.db2.gz JTEZOAIOQJNGDM-HUUCEWRRSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001441250645 1094644628 /nfs/dbraw/zinc/64/46/28/1094644628.db2.gz LXYTVMYTJXOHQQ-SJORKVTESA-N 2 0 327.488 2.339 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001441318662 1094773681 /nfs/dbraw/zinc/77/36/81/1094773681.db2.gz JYIIRSWSJLAREC-LDLYASANSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]3C2)o1 ZINC001441340323 1094830560 /nfs/dbraw/zinc/83/05/60/1094830560.db2.gz NDLDCBYGQPNXKC-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC1CC3(CCC3)C1)C2 ZINC001441342387 1094843786 /nfs/dbraw/zinc/84/37/86/1094843786.db2.gz OQULBRXIONXRJH-UHFFFAOYSA-N 2 0 333.520 2.443 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC001441480649 1095151220 /nfs/dbraw/zinc/15/12/20/1095151220.db2.gz PXMZJLBNTVHLPT-RBUKOAKNSA-N 2 0 344.503 2.236 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441529718 1095237186 /nfs/dbraw/zinc/23/71/86/1095237186.db2.gz ANSCJYANWIBUPI-MRXNPFEDSA-N 2 0 346.519 2.173 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001441544281 1095266390 /nfs/dbraw/zinc/26/63/90/1095266390.db2.gz HKLYCRBQRYVNNQ-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001441682071 1095660990 /nfs/dbraw/zinc/66/09/90/1095660990.db2.gz XBDFPMHKWAOERN-OAHLLOKOSA-N 2 0 331.451 2.343 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001441732734 1095717235 /nfs/dbraw/zinc/71/72/35/1095717235.db2.gz MMOCEDFNCFMGEP-BPCQOVAHSA-N 2 0 334.291 2.417 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@H]1C ZINC001441834054 1095900374 /nfs/dbraw/zinc/90/03/74/1095900374.db2.gz ZVIBOLOTHNAWGG-AEFFLSMTSA-N 2 0 332.492 2.119 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC001441948607 1096149016 /nfs/dbraw/zinc/14/90/16/1096149016.db2.gz QSJIIOPXCZYOEM-VYDXJSESSA-N 2 0 347.503 2.328 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001442007710 1096210856 /nfs/dbraw/zinc/21/08/56/1096210856.db2.gz JRSNZZVEOWETPJ-GJZGRUSLSA-N 2 0 329.444 2.369 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc2c(c1)COC2)C(C)(C)C ZINC001442175971 1096442409 /nfs/dbraw/zinc/44/24/09/1096442409.db2.gz FKYNRQNVDAQMKS-GOSISDBHSA-N 2 0 347.503 2.289 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001442333596 1096655513 /nfs/dbraw/zinc/65/55/13/1096655513.db2.gz GTRQXVHEICYHRE-VQIMIIECSA-N 2 0 347.503 2.038 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2cccc(F)c2)C1 ZINC001442826833 1097216322 /nfs/dbraw/zinc/21/63/22/1097216322.db2.gz XOLWPGTZZNKNOM-MAUKXSAKSA-N 2 0 333.451 2.248 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@H]1CCCCO1 ZINC001442928691 1097338841 /nfs/dbraw/zinc/33/88/41/1097338841.db2.gz BCQGNFONODKMND-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001443131488 1097556822 /nfs/dbraw/zinc/55/68/22/1097556822.db2.gz BLPWTTWRBMDZCQ-CVEARBPZSA-N 2 0 347.507 2.095 10 0 EEAERP COc1cccc(C[NH+]2CC(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001443655754 1098153934 /nfs/dbraw/zinc/15/39/34/1098153934.db2.gz XJMBCFJLXGUJLR-HOTGVXAUSA-N 2 0 345.487 2.116 10 0 EEAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001443810846 1098305852 /nfs/dbraw/zinc/30/58/52/1098305852.db2.gz LOCVEXKSCONZOV-DLBZAZTESA-N 2 0 332.492 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001479525087 1098591522 /nfs/dbraw/zinc/59/15/22/1098591522.db2.gz LIGOAZCITRPHKL-RDJZCZTQSA-N 2 0 336.480 2.122 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001480047419 1099551899 /nfs/dbraw/zinc/55/18/99/1099551899.db2.gz RSCOODLENWWTIR-KSSFIOAISA-N 2 0 333.451 2.152 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001480065993 1099598490 /nfs/dbraw/zinc/59/84/90/1099598490.db2.gz LTHXJUIXCJHGAR-ZWKOTPCHSA-N 2 0 348.466 2.080 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]Cc2cccnc2)C(C)C)C1 ZINC001444890420 1099929313 /nfs/dbraw/zinc/92/93/13/1099929313.db2.gz JFFLEPFKGLFBCX-OALUTQOASA-N 2 0 346.519 2.434 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001480262362 1099946335 /nfs/dbraw/zinc/94/63/35/1099946335.db2.gz KSKBLUMCQVOJDZ-SFHVURJKSA-N 2 0 347.503 2.154 10 0 EEAERP O=C(Cc1ncc[nH]1)N1CCCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001480364143 1100138568 /nfs/dbraw/zinc/13/85/68/1100138568.db2.gz KVZRAIGKLMLYFR-QGZVFWFLSA-N 2 0 348.491 2.130 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001480365558 1100139820 /nfs/dbraw/zinc/13/98/20/1100139820.db2.gz GXIXMZKUSVDYRI-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1nc(C)oc1C ZINC001445105781 1100341738 /nfs/dbraw/zinc/34/17/38/1100341738.db2.gz HMVZCXWYXNOXGO-JKSUJKDBSA-N 2 0 336.480 2.008 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001496246695 1100816321 /nfs/dbraw/zinc/81/63/21/1100816321.db2.gz APFKQVWIVQGXLD-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@H](C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1)OC ZINC001495160119 1100831426 /nfs/dbraw/zinc/83/14/26/1100831426.db2.gz BJTWXMZEFJCBTQ-IXDOHACOSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(NC1(C[NH2+]CCF)CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001495204173 1100883440 /nfs/dbraw/zinc/88/34/40/1100883440.db2.gz SAJUHYQVCVADMB-UHFFFAOYSA-N 2 0 325.472 2.097 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001496406207 1100999764 /nfs/dbraw/zinc/99/97/64/1100999764.db2.gz HEONBOFIRWCJDK-GDBMZVCRSA-N 2 0 338.521 2.344 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001496415946 1101009511 /nfs/dbraw/zinc/00/95/11/1101009511.db2.gz RLZXOEOZBSPJTD-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496451816 1101043731 /nfs/dbraw/zinc/04/37/31/1101043731.db2.gz YHLHBWOZPUEOJB-DZGCQCFKSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001446603199 1101100482 /nfs/dbraw/zinc/10/04/82/1101100482.db2.gz QVQCDHPMCKGDLU-FQEVSTJZSA-N 2 0 341.499 2.419 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@H](CC[NH2+]Cc3ccon3)C2)CC1 ZINC001495391153 1101110772 /nfs/dbraw/zinc/11/07/72/1101110772.db2.gz NBNGGSKVKUPUMZ-QGZVFWFLSA-N 2 0 348.491 2.125 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H](C)O)CC1 ZINC001495455713 1101167486 /nfs/dbraw/zinc/16/74/86/1101167486.db2.gz RVMZEWMWGNHMOX-XLAORIBOSA-N 2 0 339.524 2.037 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1 ZINC001495465633 1101176910 /nfs/dbraw/zinc/17/69/10/1101176910.db2.gz OXXQJNBOSMYJEI-ZHALLVOQSA-N 2 0 345.487 2.177 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001495471774 1101182572 /nfs/dbraw/zinc/18/25/72/1101182572.db2.gz DKCYAUNCKXBTOX-QAETUUGQSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@H]3CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]32)o1 ZINC001496867141 1101641022 /nfs/dbraw/zinc/64/10/22/1101641022.db2.gz JGWPVRYEJZIRHM-DLBZAZTESA-N 2 0 348.491 2.054 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001446973266 1101683083 /nfs/dbraw/zinc/68/30/83/1101683083.db2.gz OYHHHKWYENYBEO-ZBFHGGJFSA-N 2 0 345.478 2.448 10 0 EEAERP Cc1nc(CNC[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001496076782 1102015931 /nfs/dbraw/zinc/01/59/31/1102015931.db2.gz CDCHJALEODQOSA-KBXCAEBGSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001496096546 1102051992 /nfs/dbraw/zinc/05/19/92/1102051992.db2.gz BDJJSNAWUXDLDS-YOEHRIQHSA-N 2 0 336.480 2.040 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2conc2C)C1 ZINC001496142474 1102128210 /nfs/dbraw/zinc/12/82/10/1102128210.db2.gz AVBPWDIRBVXAPZ-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP COCc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001497217987 1102142546 /nfs/dbraw/zinc/14/25/46/1102142546.db2.gz ZERWILLIVQIQDH-QFBILLFUSA-N 2 0 347.503 2.302 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001497254681 1102200112 /nfs/dbraw/zinc/20/01/12/1102200112.db2.gz KGVDFYDVPVHKQP-BQFCYCMXSA-N 2 0 346.519 2.413 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001497332619 1102339049 /nfs/dbraw/zinc/33/90/49/1102339049.db2.gz PRJLDPVGYRXXDJ-YJBOKZPZSA-N 2 0 332.492 2.249 10 0 EEAERP CN(CCC[N@H+](C)C/C=C/Cl)C(=O)C12CCC[NH+](CCC1)C2 ZINC001447340667 1102481899 /nfs/dbraw/zinc/48/18/99/1102481899.db2.gz JYEXQTPUJOKGPR-WEVVVXLNSA-N 2 0 327.900 2.395 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)C1CC[NH+](C)CC1 ZINC001497447101 1102503269 /nfs/dbraw/zinc/50/32/69/1102503269.db2.gz HNBQTOFLQGQEEX-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP CC1([NH2+]CCF)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001447548362 1102840520 /nfs/dbraw/zinc/84/05/20/1102840520.db2.gz YSSVYNCZFPGHQA-INIZCTEOSA-N 2 0 325.472 2.334 10 0 EEAERP CCc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497835157 1103166991 /nfs/dbraw/zinc/16/69/91/1103166991.db2.gz POGSUBUVAVWFRQ-CQSZACIVSA-N 2 0 348.491 2.016 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cc(F)ccc1Cl ZINC001447904370 1103560019 /nfs/dbraw/zinc/56/00/19/1103560019.db2.gz NSHVEUCKTHVKCW-VXGBXAGGSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001447909680 1103574486 /nfs/dbraw/zinc/57/44/86/1103574486.db2.gz VDPHJGQIMJKLLV-HUUCEWRRSA-N 2 0 335.467 2.193 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494144038 1103594865 /nfs/dbraw/zinc/59/48/65/1103594865.db2.gz IETPEAIZAPULPB-JKSUJKDBSA-N 2 0 325.472 2.143 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCC2)o1 ZINC001447936940 1103641222 /nfs/dbraw/zinc/64/12/22/1103641222.db2.gz VGFDLHTURPCEJK-UONOGXRCSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC[C@H]2CCCCO2)C1 ZINC001494178047 1103650237 /nfs/dbraw/zinc/65/02/37/1103650237.db2.gz FPORBHWUVQAEPQ-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1ccns1)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255632 1104255973 /nfs/dbraw/zinc/25/59/73/1104255973.db2.gz AVNNTJFVLNPTPA-AWEZNQCLSA-N 2 0 336.505 2.004 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498086354 1106903724 /nfs/dbraw/zinc/90/37/24/1106903724.db2.gz DHANRSSRACWGAD-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H]1CCCC(F)(F)C1 ZINC001493058885 1107415831 /nfs/dbraw/zinc/41/58/31/1107415831.db2.gz SLZMPYIQIALGNC-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001498425555 1107496961 /nfs/dbraw/zinc/49/69/61/1107496961.db2.gz OFKJBLCOJCGWAU-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001498425977 1107499218 /nfs/dbraw/zinc/49/92/18/1107499218.db2.gz AJLAWXJAJNEVHC-HZPDHXFCSA-N 2 0 345.487 2.289 10 0 EEAERP C[C@H](C[N@H+](C)C[C@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001498458556 1107570026 /nfs/dbraw/zinc/57/00/26/1107570026.db2.gz RWSJALNPTSDOHG-MSOLQXFVSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1ncc(C[N@@H+]2CC[C@@H](CNC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001493265290 1107811450 /nfs/dbraw/zinc/81/14/50/1107811450.db2.gz WFBCAHNZXNQYBU-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CCc1cccc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498863743 1108241909 /nfs/dbraw/zinc/24/19/09/1108241909.db2.gz NEZSVFKKBDWEKP-IBGZPJMESA-N 2 0 329.488 2.329 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493549378 1108297133 /nfs/dbraw/zinc/29/71/33/1108297133.db2.gz HJLKILVHZDKPAK-FQEVSTJZSA-N 2 0 343.515 2.317 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ncccc2C)C1 ZINC001493667878 1108479867 /nfs/dbraw/zinc/47/98/67/1108479867.db2.gz YGZMGURIDLWUJM-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCOC)CC1 ZINC001493828216 1108710304 /nfs/dbraw/zinc/71/03/04/1108710304.db2.gz VOUYYUIHIIGTBW-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP c1cc(C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc(C[NH+]2CCCCC2)c1 ZINC001460689168 1110321010 /nfs/dbraw/zinc/32/10/10/1110321010.db2.gz UETOWPAJLWGHET-QGZVFWFLSA-N 2 0 326.448 2.175 10 0 EEAERP O=C(NCCN1CCSCC1)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001465007040 1110409217 /nfs/dbraw/zinc/40/92/17/1110409217.db2.gz IDIRWCFFOALOEG-IYBDPMFKSA-N 2 0 348.516 2.217 10 0 EEAERP O=C(NCC1([NH2+]Cc2cccc(F)c2F)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001499229208 1112189517 /nfs/dbraw/zinc/18/95/17/1112189517.db2.gz TWSOWMVGZZBXEZ-OAHLLOKOSA-N 2 0 349.425 2.045 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cncs2)CC1 ZINC001499275058 1112212328 /nfs/dbraw/zinc/21/23/28/1112212328.db2.gz INQMPMYOQUIPPM-HNNXBMFYSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001499448169 1112291213 /nfs/dbraw/zinc/29/12/13/1112291213.db2.gz GOAKGJHQBCPOCY-UHFFFAOYSA-N 2 0 345.487 2.016 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001500498890 1112890345 /nfs/dbraw/zinc/89/03/45/1112890345.db2.gz POFSLVXPEONITN-SJLPKXTDSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCCCCOC)C[C@H]21)[NH+](C)C ZINC001501419982 1113353108 /nfs/dbraw/zinc/35/31/08/1113353108.db2.gz WSPGZUKWDYATMA-RCCFBDPRSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001501427666 1113355419 /nfs/dbraw/zinc/35/54/19/1113355419.db2.gz WPOGSVNMYGEPMA-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001501568144 1113385705 /nfs/dbraw/zinc/38/57/05/1113385705.db2.gz IKOPKPAQOHNNLJ-MGPQQGTHSA-N 2 0 348.318 2.474 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001501613121 1113399844 /nfs/dbraw/zinc/39/98/44/1113399844.db2.gz YPXHNMRLPBYPJL-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc4cc[nH]c4c3)CCC2)C1 ZINC001502026112 1113563706 /nfs/dbraw/zinc/56/37/06/1113563706.db2.gz MMVZIMWFYLAEKV-QGZVFWFLSA-N 2 0 340.471 2.248 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001505436779 1113970276 /nfs/dbraw/zinc/97/02/76/1113970276.db2.gz DXHDXZVRMAWWCE-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001505681101 1114128027 /nfs/dbraw/zinc/12/80/27/1114128027.db2.gz JCSNBRSEVMPATI-HUUCEWRRSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001505681207 1114128301 /nfs/dbraw/zinc/12/83/01/1114128301.db2.gz KNSWMVBAQZSFQA-KBPBESRZSA-N 2 0 344.459 2.152 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC001505993183 1114326882 /nfs/dbraw/zinc/32/68/82/1114326882.db2.gz QHNXEFMRPQFZHD-AEFFLSMTSA-N 2 0 331.504 2.495 10 0 EEAERP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506015261 1114346374 /nfs/dbraw/zinc/34/63/74/1114346374.db2.gz RFYQTVBKNBABBU-IAGOWNOFSA-N 2 0 327.513 2.112 10 0 EEAERP CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001506876052 1114945025 /nfs/dbraw/zinc/94/50/25/1114945025.db2.gz VEFWQUSRPWANIT-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)no1 ZINC001506939412 1114989299 /nfs/dbraw/zinc/98/92/99/1114989299.db2.gz CDFFDSJANYAJTD-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1coc(C)n1 ZINC001506951875 1115000695 /nfs/dbraw/zinc/00/06/95/1115000695.db2.gz XAESFTRRTGOZCF-WMLDXEAASA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCc1ccsc1 ZINC001507079868 1115097056 /nfs/dbraw/zinc/09/70/56/1115097056.db2.gz PYLXTOYXNAIRFU-ZMSDIMECSA-N 2 0 337.533 2.457 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCc1ccsc1 ZINC001507079867 1115097125 /nfs/dbraw/zinc/09/71/25/1115097125.db2.gz PYLXTOYXNAIRFU-BFYDXBDKSA-N 2 0 337.533 2.457 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507116683 1115116721 /nfs/dbraw/zinc/11/67/21/1115116721.db2.gz CYBGXOHRJXZOED-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001507118182 1115117629 /nfs/dbraw/zinc/11/76/29/1115117629.db2.gz MARGZVUPKDZJIH-OAHLLOKOSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001507287674 1115174951 /nfs/dbraw/zinc/17/49/51/1115174951.db2.gz AWPDTDQCVFGUJS-IEBWSBKVSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1ncc(CN2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)s1 ZINC001507389693 1115246459 /nfs/dbraw/zinc/24/64/59/1115246459.db2.gz ZJUDFWQDJRDPPJ-BBRMVZONSA-N 2 0 338.521 2.261 10 0 EEAERP CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001508089644 1115417184 /nfs/dbraw/zinc/41/71/84/1115417184.db2.gz YDNNEDUGBTZVLR-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP COCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001568105705 1124305669 /nfs/dbraw/zinc/30/56/69/1124305669.db2.gz VUXJUUUNVUCDPW-KZNAEPCWSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001568392694 1124462769 /nfs/dbraw/zinc/46/27/69/1124462769.db2.gz UVOROASXSFPJSB-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001568535850 1124597772 /nfs/dbraw/zinc/59/77/72/1124597772.db2.gz HCZNGUUKILDELF-SJLPKXTDSA-N 2 0 335.467 2.194 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)sc1C ZINC001568671568 1124684837 /nfs/dbraw/zinc/68/48/37/1124684837.db2.gz UNFHGTZKAUUOCL-GFCCVEGCSA-N 2 0 338.521 2.086 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568754194 1124769714 /nfs/dbraw/zinc/76/97/14/1124769714.db2.gz NTEIBTUWQMQQFT-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791918 1124804808 /nfs/dbraw/zinc/80/48/08/1124804808.db2.gz YROYAONYJGQTTB-SFHVURJKSA-N 2 0 335.467 2.436 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)ns1 ZINC001568859211 1124883658 /nfs/dbraw/zinc/88/36/58/1124883658.db2.gz YEXDZSOAEVEOJE-DWTRPJMMSA-N 2 0 336.505 2.088 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568897301 1124925187 /nfs/dbraw/zinc/92/51/87/1124925187.db2.gz CXBUMIIZCJALCC-VOTSOKGWSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964606 1125001419 /nfs/dbraw/zinc/00/14/19/1125001419.db2.gz VLFCYGPHMCYTEK-CSDYLXSXSA-N 2 0 337.414 2.240 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568969506 1125007069 /nfs/dbraw/zinc/00/70/69/1125007069.db2.gz MHQAKJOHIQZDDW-FPXTWJHWSA-N 2 0 330.476 2.025 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568997819 1125030083 /nfs/dbraw/zinc/03/00/83/1125030083.db2.gz LHNYEJRUFDPJPL-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001569171585 1125143866 /nfs/dbraw/zinc/14/38/66/1125143866.db2.gz ZPYSMPFOIZBRGU-PXQLCEJZSA-N 2 0 325.884 2.099 10 0 EEAERP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001569171592 1125144032 /nfs/dbraw/zinc/14/40/32/1125144032.db2.gz ZPYSMPFOIZBRGU-YYCKWKRISA-N 2 0 325.884 2.099 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1c(F)ccc2F)C(=O)CC[NH+](C)C ZINC001569236200 1125185078 /nfs/dbraw/zinc/18/50/78/1125185078.db2.gz OHTSTBWFOFNQKA-INIZCTEOSA-N 2 0 339.430 2.342 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001569338815 1125239576 /nfs/dbraw/zinc/23/95/76/1125239576.db2.gz REPBHOGYDXVASF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000068084362 201162506 /nfs/dbraw/zinc/16/25/06/201162506.db2.gz YFMXFZHKYYQHLV-SJORKVTESA-N 2 0 347.503 2.477 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422836114 240252804 /nfs/dbraw/zinc/25/28/04/240252804.db2.gz ZTPKFIDEMFVORK-LNSITVRQSA-N 2 0 327.266 2.334 10 0 EEAERP C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000425998673 241200355 /nfs/dbraw/zinc/20/03/55/241200355.db2.gz KXRLWZPECVHYHJ-WMZOPIPTSA-N 2 0 331.504 2.420 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2csc(Br)c2)CC1 ZINC000069454711 203003203 /nfs/dbraw/zinc/00/32/03/203003203.db2.gz DGBLZSYTRORXLB-UHFFFAOYSA-N 2 0 333.295 2.305 10 0 EEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042951839 204185486 /nfs/dbraw/zinc/18/54/86/204185486.db2.gz LLRMEHFSNCTKPE-HUUCEWRRSA-N 2 0 326.282 2.475 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000246219994 205184966 /nfs/dbraw/zinc/18/49/66/205184966.db2.gz GPLRUKPWJIFCEY-QYZOEREBSA-N 2 0 329.488 2.484 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176139118 285271831 /nfs/dbraw/zinc/27/18/31/285271831.db2.gz RGPWXEUPGKMPRD-ROUUACIJSA-N 2 0 332.492 2.415 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H](N3CCC(C[NH+]4CCOCC4)CC3)C2)cc1 ZINC000271325873 256233439 /nfs/dbraw/zinc/23/34/39/256233439.db2.gz YHLHSAOWASSCNC-NRFANRHFSA-N 2 0 343.515 2.305 10 0 EEAERP CCC[C@@](C)([NH3+])C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262699784 152307420 /nfs/dbraw/zinc/30/74/20/152307420.db2.gz GXPLTRXETOKTIK-GOSISDBHSA-N 2 0 327.513 2.101 10 0 EEAERP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000107836630 159337004 /nfs/dbraw/zinc/33/70/04/159337004.db2.gz HPYRCWYXGSNWOS-ROUUACIJSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H](CNC(=O)c1cnn(-c2ccncc2)c1C(F)F)[N@H+](C)C1CC1 ZINC000345829774 161335735 /nfs/dbraw/zinc/33/57/35/161335735.db2.gz MKBYPYOIKKGRQV-NSHDSACASA-N 2 0 349.385 2.417 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1cccnc1 ZINC000359929013 164198570 /nfs/dbraw/zinc/19/85/70/164198570.db2.gz CGAUVKYHOLSCOR-MJGOQNOKSA-N 2 0 346.519 2.450 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cn(C)nc3C)cn2)CC1 ZINC000360007400 164213470 /nfs/dbraw/zinc/21/34/70/164213470.db2.gz POGLRQIWOIDMIN-OAHLLOKOSA-N 2 0 342.491 2.116 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368615672 166091559 /nfs/dbraw/zinc/09/15/59/166091559.db2.gz QUZAPYIHLQVZGB-QRVBRYPASA-N 2 0 329.488 2.498 10 0 EEAERP COC[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000151947052 274050404 /nfs/dbraw/zinc/05/04/04/274050404.db2.gz CAUGQRDSOHACCP-VQTJNVASSA-N 2 0 332.488 2.447 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000342344182 288117044 /nfs/dbraw/zinc/11/70/44/288117044.db2.gz HHGVCDRWIZQMSQ-NJAFHUGGSA-N 2 0 334.508 2.129 10 0 EEAERP C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)c2ccccc2O1 ZINC000361710317 289217328 /nfs/dbraw/zinc/21/73/28/289217328.db2.gz IAQQTPPAHSFAMV-INIZCTEOSA-N 2 0 325.412 2.115 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000281182930 292739459 /nfs/dbraw/zinc/73/94/59/292739459.db2.gz LXJLOOJWVGPJPB-IBGZPJMESA-N 2 0 346.519 2.287 10 0 EEAERP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)C[NH+]1CCCCC1 ZINC000297439401 294244006 /nfs/dbraw/zinc/24/40/06/294244006.db2.gz RMSILSFGBYZUOJ-OAHLLOKOSA-N 2 0 329.448 2.256 10 0 EEAERP O=c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc2ccccn12 ZINC000171388365 311405730 /nfs/dbraw/zinc/40/57/30/311405730.db2.gz NWEGKBONOHZADB-UHFFFAOYSA-N 2 0 326.444 2.002 10 0 EEAERP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000333506904 312158022 /nfs/dbraw/zinc/15/80/22/312158022.db2.gz DYPZEHQJTYVVEL-QGZVFWFLSA-N 2 0 341.459 2.254 10 0 EEAERP CCSCC[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414556712 313040800 /nfs/dbraw/zinc/04/08/00/313040800.db2.gz OSYYBHADVHNRKN-UHFFFAOYSA-N 2 0 335.517 2.227 10 0 EEAERP COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000414816100 313096219 /nfs/dbraw/zinc/09/62/19/313096219.db2.gz ZITCVHHTPFDRIK-ZDUSSCGKSA-N 2 0 344.459 2.373 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417176133 313441547 /nfs/dbraw/zinc/44/15/47/313441547.db2.gz BXDMJDGJDBAQIF-GUDVDZBRSA-N 2 0 346.519 2.224 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1F ZINC000417657452 313557774 /nfs/dbraw/zinc/55/77/74/313557774.db2.gz HVZOCTJVPMHAFJ-SFHVURJKSA-N 2 0 336.455 2.076 10 0 EEAERP [NH3+]CCCNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000418310551 313779418 /nfs/dbraw/zinc/77/94/18/313779418.db2.gz KBNYACYWCHCSNE-UHFFFAOYSA-N 2 0 326.444 2.016 10 0 EEAERP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000536828857 318010622 /nfs/dbraw/zinc/01/06/22/318010622.db2.gz WSHZTISRWRBKKZ-AEFFLSMTSA-N 2 0 344.503 2.420 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000543246809 318153836 /nfs/dbraw/zinc/15/38/36/318153836.db2.gz PPEBTZLXJHXGNY-GOSISDBHSA-N 2 0 329.488 2.385 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641096 318164608 /nfs/dbraw/zinc/16/46/08/318164608.db2.gz YCFLOCGGVSEEJW-FUHWJXTLSA-N 2 0 332.492 2.415 10 0 EEAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000552207956 318503283 /nfs/dbraw/zinc/50/32/83/318503283.db2.gz NBIUKHKBDRSECS-IBGZPJMESA-N 2 0 347.503 2.105 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000564310246 319077510 /nfs/dbraw/zinc/07/75/10/319077510.db2.gz VTHZGBBNCUOJNN-RDJZCZTQSA-N 2 0 332.492 2.194 10 0 EEAERP COc1ncccc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088805 319242851 /nfs/dbraw/zinc/24/28/51/319242851.db2.gz PYEYABPJMUFPEO-FXAWDEMLSA-N 2 0 339.439 2.478 10 0 EEAERP CCN(CCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000566304129 319272706 /nfs/dbraw/zinc/27/27/06/319272706.db2.gz QSFUBINFQBTLKF-AZUAARDMSA-N 2 0 330.520 2.049 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000569557922 319587366 /nfs/dbraw/zinc/58/73/66/319587366.db2.gz AHZZLWFYLYAQMO-MAUKXSAKSA-N 2 0 330.476 2.080 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[C@H]1c1ccccc1 ZINC000580532894 324081530 /nfs/dbraw/zinc/08/15/30/324081530.db2.gz NOCPBMVJUQOOSD-NSHGMRRFSA-N 2 0 342.487 2.217 10 0 EEAERP Cc1c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1N(C)C ZINC000133412074 462928712 /nfs/dbraw/zinc/92/87/12/462928712.db2.gz WCLRBKQWRLKNIJ-UHFFFAOYSA-N 2 0 335.496 2.018 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000156634536 463050964 /nfs/dbraw/zinc/05/09/64/463050964.db2.gz LZZJVHINZDZOEZ-KRWDZBQOSA-N 2 0 345.491 2.032 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000157685982 463157429 /nfs/dbraw/zinc/15/74/29/463157429.db2.gz RFWRMAQOIJFCEB-UHFFFAOYSA-N 2 0 345.491 2.035 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2c(Cl)nc3sccn23)CC1 ZINC000069370679 463235761 /nfs/dbraw/zinc/23/57/61/463235761.db2.gz AQXZMSBIGOPCDA-NSHDSACASA-N 2 0 342.896 2.232 10 0 EEAERP Cc1cccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000069370471 463236231 /nfs/dbraw/zinc/23/62/31/463236231.db2.gz HPUMANFWUPQTCI-UHFFFAOYSA-N 2 0 328.460 2.179 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000054509977 463239915 /nfs/dbraw/zinc/23/99/15/463239915.db2.gz KRWBVTWZINJVHG-WMZOPIPTSA-N 2 0 332.492 2.320 10 0 EEAERP CC[N@H+](CCO)CCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579352720 468346880 /nfs/dbraw/zinc/34/68/80/468346880.db2.gz JARQNACTOLCASO-IBGZPJMESA-N 2 0 331.504 2.087 10 0 EEAERP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248569 463500894 /nfs/dbraw/zinc/50/08/94/463500894.db2.gz VMLMGPTVIOIEMP-HKUYNNGSSA-N 2 0 349.519 2.124 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000058274414 463564818 /nfs/dbraw/zinc/56/48/18/463564818.db2.gz MGMHYPKPSLMYEB-INIZCTEOSA-N 2 0 333.476 2.089 10 0 EEAERP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)C[C@@H]3CCCO3)ccn2)CC1 ZINC000170040841 463674130 /nfs/dbraw/zinc/67/41/30/463674130.db2.gz IFGJQNONMXYMPW-AEFFLSMTSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000579577848 468377996 /nfs/dbraw/zinc/37/79/96/468377996.db2.gz OPGUJZZAWBVNDF-ZBFHGGJFSA-N 2 0 333.501 2.160 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)N2CCCC2)o1 ZINC000261861004 463881202 /nfs/dbraw/zinc/88/12/02/463881202.db2.gz CBRBXWKMXYSQFY-RDGPPVDQSA-N 2 0 347.503 2.472 10 0 EEAERP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261899360 463892574 /nfs/dbraw/zinc/89/25/74/463892574.db2.gz HLRMEZXPGSDTRX-CGTJXYLNSA-N 2 0 330.472 2.474 10 0 EEAERP C[C@]1(CN2CCC(c3nc(-c4ccccn4)no3)CC2)CC[NH2+]C1 ZINC000261958456 463911251 /nfs/dbraw/zinc/91/12/51/463911251.db2.gz GXNWIZBHWJVDSA-SFHVURJKSA-N 2 0 327.432 2.311 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179121358 464061351 /nfs/dbraw/zinc/06/13/51/464061351.db2.gz NXFZRCKYFNNZNR-RTBURBONSA-N 2 0 344.503 2.463 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179189264 464077688 /nfs/dbraw/zinc/07/76/88/464077688.db2.gz MATCEYBAIZQSFH-KBAYOESNSA-N 2 0 332.492 2.461 10 0 EEAERP Cc1ccccc1-n1nccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000280021061 464181732 /nfs/dbraw/zinc/18/17/32/464181732.db2.gz TXPLGMDATCEWDO-UHFFFAOYSA-N 2 0 328.460 2.383 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000245627690 464500582 /nfs/dbraw/zinc/50/05/82/464500582.db2.gz GYOJMLQHBHCJBF-RTBURBONSA-N 2 0 342.487 2.358 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245647895 464501755 /nfs/dbraw/zinc/50/17/55/464501755.db2.gz MATCEYBAIZQSFH-NJAFHUGGSA-N 2 0 332.492 2.461 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246507114 464592644 /nfs/dbraw/zinc/59/26/44/464592644.db2.gz SYPXNZKEBAMDID-ZWKOTPCHSA-N 2 0 338.540 2.480 10 0 EEAERP O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439834 464610263 /nfs/dbraw/zinc/61/02/63/464610263.db2.gz SRNXVEFGEONHIV-PLACYPQZSA-N 2 0 343.515 2.228 10 0 EEAERP C[NH+](C)[C@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccccc1 ZINC000246986654 464641128 /nfs/dbraw/zinc/64/11/28/464641128.db2.gz ARNMYTIRGVSSJQ-DLBZAZTESA-N 2 0 341.459 2.153 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000247529186 464690218 /nfs/dbraw/zinc/69/02/18/464690218.db2.gz XJDROFZFMQTHTL-FHLIZLRMSA-N 2 0 348.466 2.307 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC2)[C@@H]1c1cccs1 ZINC000337665350 465504994 /nfs/dbraw/zinc/50/49/94/465504994.db2.gz TWDSAUBLZOFMDU-GOEBONIOSA-N 2 0 336.505 2.136 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298964172 465552140 /nfs/dbraw/zinc/55/21/40/465552140.db2.gz YKBPLTZINFMRCF-FHWLQOOXSA-N 2 0 344.503 2.085 10 0 EEAERP C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000339937277 465617642 /nfs/dbraw/zinc/61/76/42/465617642.db2.gz PFORCWSIUZKOPF-IBGZPJMESA-N 2 0 344.503 2.388 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344595780 465704871 /nfs/dbraw/zinc/70/48/71/465704871.db2.gz FFKYQLUPCWMMOB-SFHVURJKSA-N 2 0 347.503 2.477 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000353269552 465760425 /nfs/dbraw/zinc/76/04/25/465760425.db2.gz IQHAFZYXADNFTB-WCIQWLHISA-N 2 0 337.552 2.443 10 0 EEAERP COCc1cnc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000357348989 465970676 /nfs/dbraw/zinc/97/06/76/465970676.db2.gz HXIHZRAAPTXDMX-ZIAGYGMSSA-N 2 0 327.494 2.269 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000357348119 465971001 /nfs/dbraw/zinc/97/10/01/465971001.db2.gz MKOHBYOYHWKYTO-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnn3C(C)C)cn2)CC1 ZINC000353931279 466263730 /nfs/dbraw/zinc/26/37/30/466263730.db2.gz INJMGFLFYCQATA-UHFFFAOYSA-N 2 0 342.491 2.291 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000349859118 466277564 /nfs/dbraw/zinc/27/75/64/466277564.db2.gz UPJNNIHWRWTVPP-INIZCTEOSA-N 2 0 348.491 2.399 10 0 EEAERP COCCN1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361531 468479898 /nfs/dbraw/zinc/47/98/98/468479898.db2.gz DDEDUNXRLUTBSN-WOJBJXKFSA-N 2 0 343.515 2.494 10 0 EEAERP CC1CC[NH+](C2CCC([NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)CC1 ZINC000422971031 466689546 /nfs/dbraw/zinc/68/95/46/466689546.db2.gz XTVNYHLINOKJAL-TUNPWDSISA-N 2 0 335.536 2.386 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000417208118 466801818 /nfs/dbraw/zinc/80/18/18/466801818.db2.gz ALMCVXWKTLLKRY-BHIYHBOVSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417221158 466807892 /nfs/dbraw/zinc/80/78/92/466807892.db2.gz NKIFULHNYQWKAR-BVBHFADKSA-N 2 0 342.487 2.215 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)[NH+]2CCCC2)o1 ZINC000417412526 466853164 /nfs/dbraw/zinc/85/31/64/466853164.db2.gz ABQIZTVJFVDOPE-KBMXLJTQSA-N 2 0 334.464 2.022 10 0 EEAERP CC[C@@H]([NH3+])CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417587400 466888344 /nfs/dbraw/zinc/88/83/44/466888344.db2.gz SAHVBHSUNKIZFZ-CSNJMZFVSA-N 2 0 330.476 2.219 10 0 EEAERP C[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000417590437 466890010 /nfs/dbraw/zinc/89/00/10/466890010.db2.gz RFRQZTILDIBXGY-FXAWDEMLSA-N 2 0 344.503 2.292 10 0 EEAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417664577 466902864 /nfs/dbraw/zinc/90/28/64/466902864.db2.gz WXHXUQJELSBLEE-CXAGYDPISA-N 2 0 336.455 2.299 10 0 EEAERP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417728953 466918351 /nfs/dbraw/zinc/91/83/51/466918351.db2.gz BJUMBXVUDHNXOE-GOEBONIOSA-N 2 0 338.521 2.430 10 0 EEAERP CCC1(CNC(=O)N(C)CC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417922643 466986470 /nfs/dbraw/zinc/98/64/70/466986470.db2.gz JHAUEAVXRIISQO-UHFFFAOYSA-N 2 0 332.492 2.279 10 0 EEAERP COCC[N@@H+]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424170455 466995625 /nfs/dbraw/zinc/99/56/25/466995625.db2.gz BAJROXQZVSMLRQ-GOSISDBHSA-N 2 0 339.524 2.245 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417979709 467009658 /nfs/dbraw/zinc/00/96/58/467009658.db2.gz JHKOCQZXFQASFL-QRQLOZEOSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@]1(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418042523 467032340 /nfs/dbraw/zinc/03/23/40/467032340.db2.gz LVCCBTUPRTYWRK-VQTJNVASSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000418466766 467115537 /nfs/dbraw/zinc/11/55/37/467115537.db2.gz RPOAWDBGVSMEID-OAHLLOKOSA-N 2 0 326.444 2.377 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418572811 467130496 /nfs/dbraw/zinc/13/04/96/467130496.db2.gz KRDXOFGPLOQZJW-ZIFCJYIRSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418611244 467135532 /nfs/dbraw/zinc/13/55/32/467135532.db2.gz HCHKQKVVJSAQGL-ZIFCJYIRSA-N 2 0 344.503 2.290 10 0 EEAERP CN(C)c1ncccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431920344 467202992 /nfs/dbraw/zinc/20/29/92/467202992.db2.gz GAKXWCSEGTWZEL-QGZVFWFLSA-N 2 0 326.444 2.457 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420309061 467348889 /nfs/dbraw/zinc/34/88/89/467348889.db2.gz SWFHOVHHDCFTSO-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP C[N@@H+]1CCCN(C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000430208351 467408617 /nfs/dbraw/zinc/40/86/17/467408617.db2.gz UQWWWAPZZUKQEA-HXUWFJFHSA-N 2 0 344.503 2.388 10 0 EEAERP C[C@@]1(CNC(=O)NCC[NH+]2CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000430234728 467410979 /nfs/dbraw/zinc/41/09/79/467410979.db2.gz BRQMSUWPPIOUOE-IBGZPJMESA-N 2 0 330.476 2.046 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1CC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390774122 467411501 /nfs/dbraw/zinc/41/15/01/467411501.db2.gz LRTWKIUWYPRDDX-MRXNPFEDSA-N 2 0 325.456 2.438 10 0 EEAERP COCCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415035124 467471459 /nfs/dbraw/zinc/47/14/59/467471459.db2.gz DIFIDHXHQIJZFM-ROUUACIJSA-N 2 0 332.492 2.128 10 0 EEAERP CCO[C@@H]1CN(Cc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000405357453 467480631 /nfs/dbraw/zinc/48/06/31/467480631.db2.gz ZGLPZWZSCOFEGP-BXUZGUMPSA-N 2 0 331.229 2.384 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000449065589 467616305 /nfs/dbraw/zinc/61/63/05/467616305.db2.gz USQNWTPMFLVJIC-LJQANCHMSA-N 2 0 345.531 2.394 10 0 EEAERP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449080963 467616914 /nfs/dbraw/zinc/61/69/14/467616914.db2.gz ARSUAFNBIHOSBT-OALUTQOASA-N 2 0 345.531 2.392 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000457802976 467709179 /nfs/dbraw/zinc/70/91/79/467709179.db2.gz ZBZVHBHGFAKZNM-MRXNPFEDSA-N 2 0 345.491 2.176 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000516916581 468055674 /nfs/dbraw/zinc/05/56/74/468055674.db2.gz VQEGIMNDBZZLIH-FRQCXROJSA-N 2 0 348.491 2.494 10 0 EEAERP CN1CC[NH+](CCCC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000519856089 468222541 /nfs/dbraw/zinc/22/25/41/468222541.db2.gz DAEFNEDYKAATCT-UHFFFAOYSA-N 2 0 331.504 2.351 10 0 EEAERP CCC[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1CCOC ZINC000520416632 468250027 /nfs/dbraw/zinc/25/00/27/468250027.db2.gz MTZOQLUCEVQOCH-FQEVSTJZSA-N 2 0 331.504 2.265 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000557481647 468632608 /nfs/dbraw/zinc/63/26/08/468632608.db2.gz PAYIJFHAKOGKMU-GUYCJALGSA-N 2 0 330.407 2.107 10 0 EEAERP CCOC(=O)CC(C)(C)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184791 468649314 /nfs/dbraw/zinc/64/93/14/468649314.db2.gz QZKHTHBNSXSDJU-UHFFFAOYSA-N 2 0 326.481 2.153 10 0 EEAERP C[C@H](CSCCF)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000595031218 468746184 /nfs/dbraw/zinc/74/61/84/468746184.db2.gz ATVRYEWEABVYFB-PBHICJAKSA-N 2 0 326.481 2.434 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000572346934 468919695 /nfs/dbraw/zinc/91/96/95/468919695.db2.gz GNDOMZRPCIMAJZ-FQLMCAECSA-N 2 0 336.505 2.262 10 0 EEAERP CC[N@@H+]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)[C@@H](C)C1 ZINC000584797909 468937774 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000626995373 469781486 /nfs/dbraw/zinc/78/14/86/469781486.db2.gz SVOVNSBJBYDCBJ-CYGHRXIMSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000623881340 469787278 /nfs/dbraw/zinc/78/72/78/469787278.db2.gz KTRPTOFBWHLCSD-MJGOQNOKSA-N 2 0 332.492 2.141 10 0 EEAERP C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000624101887 469841084 /nfs/dbraw/zinc/84/10/84/469841084.db2.gz DSJVICRHPZZSHH-CQSZACIVSA-N 2 0 334.451 2.263 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C[NH2+]1 ZINC000627209753 469845932 /nfs/dbraw/zinc/84/59/32/469845932.db2.gz INNVANKRWAPEOC-NEWSRXKRSA-N 2 0 344.503 2.085 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624132616 469850664 /nfs/dbraw/zinc/85/06/64/469850664.db2.gz UPZHUAOAROKKPX-VPAKFMSCSA-N 2 0 327.472 2.141 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000620976682 469966021 /nfs/dbraw/zinc/96/60/21/469966021.db2.gz KQPJEVFCFJSQPM-RBUKOAKNSA-N 2 0 347.503 2.249 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ocnc1C(F)F ZINC000625027648 470063180 /nfs/dbraw/zinc/06/31/80/470063180.db2.gz TZTUIMCBKWYABD-LBPRGKRZSA-N 2 0 344.406 2.100 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000628211478 470076891 /nfs/dbraw/zinc/07/68/91/470076891.db2.gz RXGXCYUWDOOMMM-GOSISDBHSA-N 2 0 335.517 2.353 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000625285767 470112272 /nfs/dbraw/zinc/11/22/72/470112272.db2.gz GNLIXCPDHDYBOQ-ROUUACIJSA-N 2 0 335.467 2.271 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)CC1(O)CCC1 ZINC000625284981 470112315 /nfs/dbraw/zinc/11/23/15/470112315.db2.gz ODNBTLYCFFPHOU-LJQANCHMSA-N 2 0 347.503 2.286 10 0 EEAERP C[NH+]1CCC2(CC1)C[N@H+](CCCOCCc1ccccc1)CCO2 ZINC000646103408 470527170 /nfs/dbraw/zinc/52/71/70/470527170.db2.gz FKRGXQSGTRAQMD-UHFFFAOYSA-N 2 0 332.488 2.432 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000646105729 470529747 /nfs/dbraw/zinc/52/97/47/470529747.db2.gz FLYJXXWKHJIEEI-XBMUEBEBSA-N 2 0 345.487 2.006 10 0 EEAERP c1nc2n(n1)[C@@H](C[NH+]1CCN(c3cc[nH+]c4ccccc43)CC1)CC2 ZINC000639642172 470591199 /nfs/dbraw/zinc/59/11/99/470591199.db2.gz OCUNKCJKYYQJPQ-OAHLLOKOSA-N 2 0 334.427 2.136 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647328314 470883502 /nfs/dbraw/zinc/88/35/02/470883502.db2.gz QJKHBZBAEMQKSC-QGZVFWFLSA-N 2 0 341.503 2.433 10 0 EEAERP C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899734 471010482 /nfs/dbraw/zinc/01/04/82/471010482.db2.gz UJFVSDSUZQLDIT-NJAFHUGGSA-N 2 0 327.472 2.428 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901907 471012102 /nfs/dbraw/zinc/01/21/02/471012102.db2.gz XGDVXYWBLJNBDA-YJBOKZPZSA-N 2 0 331.460 2.488 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000654486486 471037429 /nfs/dbraw/zinc/03/74/29/471037429.db2.gz SEGWCYFMELDFSR-OWYHZJEWSA-N 2 0 344.503 2.289 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652143066 471243765 /nfs/dbraw/zinc/24/37/65/471243765.db2.gz MOAISRHLEYVMDW-UHFFFAOYSA-N 2 0 332.492 2.327 10 0 EEAERP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067966 471264032 /nfs/dbraw/zinc/26/40/32/471264032.db2.gz SWNMAIZNDBWSSA-SFHVURJKSA-N 2 0 332.492 2.352 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652288067 471267119 /nfs/dbraw/zinc/26/71/19/471267119.db2.gz SBNKTEKEBOOLCA-MSOLQXFVSA-N 2 0 330.476 2.032 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000652288074 471267170 /nfs/dbraw/zinc/26/71/70/471267170.db2.gz SBWWHIPOJGDFHB-YJBOKZPZSA-N 2 0 332.492 2.278 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000652291208 471267778 /nfs/dbraw/zinc/26/77/78/471267778.db2.gz JKABCLDZXYORSW-LJQANCHMSA-N 2 0 330.476 2.033 10 0 EEAERP O=C1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)N1 ZINC000658257954 471281127 /nfs/dbraw/zinc/28/11/27/471281127.db2.gz UXESCRKNIDTKFI-WJFTUGDTSA-N 2 0 327.472 2.298 10 0 EEAERP CCN(C(=O)NCCCn1c(C)nc2ccccc21)[C@H]1CC[N@H+](C)C1 ZINC000663457120 471387533 /nfs/dbraw/zinc/38/75/33/471387533.db2.gz HGNASZGILOALCB-INIZCTEOSA-N 2 0 343.475 2.470 10 0 EEAERP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CS1 ZINC000655691289 471444761 /nfs/dbraw/zinc/44/47/61/471444761.db2.gz SIGBHCKLYILYTC-QAPCUYQASA-N 2 0 347.528 2.448 10 0 EEAERP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CS1 ZINC000655730899 471460025 /nfs/dbraw/zinc/46/00/25/471460025.db2.gz VSVOCTNAAWDRRF-YOEHRIQHSA-N 2 0 335.517 2.352 10 0 EEAERP C[C@H](CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655923457 471542667 /nfs/dbraw/zinc/54/26/67/471542667.db2.gz YOZNWRVBFRNQQC-TZMCWYRMSA-N 2 0 346.397 2.086 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000655965051 471558599 /nfs/dbraw/zinc/55/85/99/471558599.db2.gz LQTFLHOCPOBUNE-MDASCCDHSA-N 2 0 340.471 2.479 10 0 EEAERP FC(F)(F)[C@@H](C[NH2+]Cc1cccc2cnccc21)N1CC[NH2+]CC1 ZINC000666899037 471578201 /nfs/dbraw/zinc/57/82/01/471578201.db2.gz LHTPGSUXHKODEX-MRXNPFEDSA-N 2 0 338.377 2.161 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000661108657 471629813 /nfs/dbraw/zinc/62/98/13/471629813.db2.gz BVRQQAMHMRNOKP-AOCRQIFASA-N 2 0 336.524 2.423 10 0 EEAERP O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659619384 471700580 /nfs/dbraw/zinc/70/05/80/471700580.db2.gz XDHBTBMUONJFSH-LRYGQEGESA-N 2 0 334.508 2.036 10 0 EEAERP CN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667331189 471742289 /nfs/dbraw/zinc/74/22/89/471742289.db2.gz WEIJRVLWAWRSQW-RTBURBONSA-N 2 0 342.487 2.139 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCCc2sccc21 ZINC000664691387 471835683 /nfs/dbraw/zinc/83/56/83/471835683.db2.gz ZHAPYBBKCNHYTE-OAHLLOKOSA-N 2 0 338.521 2.308 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000661781694 471882212 /nfs/dbraw/zinc/88/22/12/471882212.db2.gz GUCLEOCYEUBYMX-UXHICEINSA-N 2 0 347.551 2.137 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)s1 ZINC000667811997 471916987 /nfs/dbraw/zinc/91/69/87/471916987.db2.gz ALULZHMVWBXOHJ-CYBMUJFWSA-N 2 0 327.469 2.375 10 0 EEAERP C[C@@H](CCCC[NH3+])[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665273342 471986843 /nfs/dbraw/zinc/98/68/43/471986843.db2.gz UXAAGUULNOKXRY-SFHVURJKSA-N 2 0 330.520 2.448 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281169 471989260 /nfs/dbraw/zinc/98/92/60/471989260.db2.gz WKQBTWXGZAVYGR-XJKSGUPXSA-N 2 0 327.494 2.472 10 0 EEAERP CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000662156786 472013528 /nfs/dbraw/zinc/01/35/28/472013528.db2.gz FBBBIGBFBYRMES-KSZLIROESA-N 2 0 339.524 2.112 10 0 EEAERP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249372 472041287 /nfs/dbraw/zinc/04/12/87/472041287.db2.gz ULWRTAYNZBGQDX-HOTGVXAUSA-N 2 0 332.444 2.362 10 0 EEAERP C[NH+](C)CCC[C@H]1C[N@H+](CCN2CCCc3ccccc32)CCO1 ZINC000662326030 472072215 /nfs/dbraw/zinc/07/22/15/472072215.db2.gz UHTFZVITUZJONT-IBGZPJMESA-N 2 0 331.504 2.482 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000662659887 472191615 /nfs/dbraw/zinc/19/16/15/472191615.db2.gz WOXYXMQOGGNESR-UHFFFAOYSA-N 2 0 342.443 2.263 10 0 EEAERP COc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+]2CCCCC2)cc1 ZINC000668602766 472191656 /nfs/dbraw/zinc/19/16/56/472191656.db2.gz KAHMHEJAYSDRHR-WHLIDYPQSA-N 2 0 346.475 2.036 10 0 EEAERP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687545 472206811 /nfs/dbraw/zinc/20/68/11/472206811.db2.gz ZYVVAOLHMYTKOY-ZWKOTPCHSA-N 2 0 325.412 2.294 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)[NH+](C)C)cc1 ZINC000662692000 472209558 /nfs/dbraw/zinc/20/95/58/472209558.db2.gz UQULMHZEXUYCBG-CQSZACIVSA-N 2 0 330.432 2.210 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662698553 472212904 /nfs/dbraw/zinc/21/29/04/472212904.db2.gz OCGDFRDSKADYAP-UHFFFAOYSA-N 2 0 344.459 2.190 10 0 EEAERP CC[NH+](CC)CCOc1cc(NC(=O)CC2([NH3+])CC2)ccc1OC ZINC000662698822 472213011 /nfs/dbraw/zinc/21/30/11/472213011.db2.gz LUZDODYSLADGKB-UHFFFAOYSA-N 2 0 335.448 2.236 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662728643 472225498 /nfs/dbraw/zinc/22/54/98/472225498.db2.gz AIHPARZWGLYLJQ-CYBMUJFWSA-N 2 0 336.480 2.499 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000673862479 485559103 /nfs/dbraw/zinc/55/91/03/485559103.db2.gz LFVWCIDOIAFYQY-CJNGLKHVSA-N 2 0 326.404 2.016 10 0 EEAERP CSc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+](C)C)cc1 ZINC000583094878 485579096 /nfs/dbraw/zinc/57/90/96/485579096.db2.gz XRAQKNMIPDEOKK-YOEHRIQHSA-N 2 0 335.517 2.469 10 0 EEAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C(=O)OC)cn2)CC1 ZINC000599266198 485621698 /nfs/dbraw/zinc/62/16/98/485621698.db2.gz SGZLWEANMODULS-UHFFFAOYSA-N 2 0 334.464 2.207 10 0 EEAERP CN(c1ccccc1C[NH2+][C@H]1CCCN(C)C1)C1CC[NH+](C)CC1 ZINC000675334169 485959098 /nfs/dbraw/zinc/95/90/98/485959098.db2.gz MUVVYSUQHYKEMP-SFHVURJKSA-N 2 0 330.520 2.401 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N1CC[NH+](CC2CC2)CC1 ZINC000051521438 536468673 /nfs/dbraw/zinc/46/86/73/536468673.db2.gz WLIZVCVFGNAZOS-UHFFFAOYSA-N 2 0 339.281 2.096 10 0 EEAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000416239464 527899851 /nfs/dbraw/zinc/89/98/51/527899851.db2.gz KWTHZDRJZZBLAM-CEXWTWQISA-N 2 0 345.487 2.001 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000415929369 528353770 /nfs/dbraw/zinc/35/37/70/528353770.db2.gz HVAKCJGTDUNVEI-OAHLLOKOSA-N 2 0 348.491 2.105 10 0 EEAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000495095965 534968767 /nfs/dbraw/zinc/96/87/67/534968767.db2.gz YWWQUECFFUKGHL-ROUUACIJSA-N 2 0 329.488 2.198 10 0 EEAERP CCC[NH+]1CCC(CNC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000748596863 576353861 /nfs/dbraw/zinc/35/38/61/576353861.db2.gz JCULWJPAPNJVSK-INIZCTEOSA-N 2 0 326.554 2.057 10 0 EEAERP C[NH+](C)CCNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728446329 576501455 /nfs/dbraw/zinc/50/14/55/576501455.db2.gz RHUIPWRJCYVGNS-MRXNPFEDSA-N 2 0 326.554 2.011 10 0 EEAERP Cn1nc2c(c1C[N@@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)CSCC2 ZINC000894779546 683087615 /nfs/dbraw/zinc/08/76/15/683087615.db2.gz HTKCZTAWVRNVKR-HNNXBMFYSA-N 2 0 334.533 2.373 10 0 EEAERP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000262197992 684411993 /nfs/dbraw/zinc/41/19/93/684411993.db2.gz ZPYFXMFEPPZMMT-DOTOQJQBSA-N 2 0 332.496 2.059 10 0 EEAERP C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c2c1OC(F)(F)O2 ZINC000895470303 684612998 /nfs/dbraw/zinc/61/29/98/684612998.db2.gz IZFZERMMWFFDFI-OKILXGFUSA-N 2 0 340.370 2.148 10 0 EEAERP CS(=O)(=O)C1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925671822 684806718 /nfs/dbraw/zinc/80/67/18/684806718.db2.gz RHGYQJHUPSRTCX-HZPDHXFCSA-N 2 0 328.522 2.102 10 0 EEAERP CCCn1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000902822196 694181913 /nfs/dbraw/zinc/18/19/13/694181913.db2.gz RYHBSWMEDMDUSD-KRWDZBQOSA-N 2 0 348.539 2.289 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+]C3CC4(C3)COC(C)(C)C4)cn2)CC1 ZINC000924625073 692887267 /nfs/dbraw/zinc/88/72/67/692887267.db2.gz FHOUHGLVFVPODA-UHFFFAOYSA-N 2 0 344.503 2.271 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n(C)n1 ZINC000924630185 692922351 /nfs/dbraw/zinc/92/23/51/692922351.db2.gz YXWBVEXVKZCMLQ-PKOBYXMFSA-N 2 0 347.551 2.055 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21)[NH+](C)C ZINC001485616001 1191863371 /nfs/dbraw/zinc/86/33/71/1191863371.db2.gz KYABHXHFSSKNPD-FJIDUMEYSA-N 2 0 349.906 2.474 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001485657259 1191891367 /nfs/dbraw/zinc/89/13/67/1191891367.db2.gz ISRGOLFBLVNGPS-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001485724229 1191910836 /nfs/dbraw/zinc/91/08/36/1191910836.db2.gz MUANEJYDGGAHLY-CQSZACIVSA-N 2 0 336.455 2.080 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001266368522 1176433269 /nfs/dbraw/zinc/43/32/69/1176433269.db2.gz JRVZOJDXERRAOK-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001266495372 1176638487 /nfs/dbraw/zinc/63/84/87/1176638487.db2.gz LNGBLFNHUHJAON-MJGOQNOKSA-N 2 0 349.519 2.036 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659266 1177073939 /nfs/dbraw/zinc/07/39/39/1177073939.db2.gz CCGWNTZSPIMWKP-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1C ZINC001691324602 1177913722 /nfs/dbraw/zinc/91/37/22/1177913722.db2.gz NJQYYWXCSCAAKN-DOTOQJQBSA-N 2 0 339.430 2.243 10 0 EEAERP CN(CC[NH2+]Cc1nsc2ccccc12)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365318 1177974636 /nfs/dbraw/zinc/97/46/36/1177974636.db2.gz WTQDMPZWWRTVSV-MRXNPFEDSA-N 2 0 346.500 2.329 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001267117406 1178280924 /nfs/dbraw/zinc/28/09/24/1178280924.db2.gz RZJIASAZNASCBJ-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1C[C@@H]1CCCOC1 ZINC001267181874 1178441669 /nfs/dbraw/zinc/44/16/69/1178441669.db2.gz PMKAUFRCKJMBLT-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391510 1178957620 /nfs/dbraw/zinc/95/76/20/1178957620.db2.gz KCTVQHMQROQRRU-GOSISDBHSA-N 2 0 347.503 2.160 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(F)(F)C1 ZINC001267432091 1178999562 /nfs/dbraw/zinc/99/95/62/1178999562.db2.gz FAXVYQLZKKJFEO-IYBDPMFKSA-N 2 0 343.462 2.439 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC001267454449 1179033933 /nfs/dbraw/zinc/03/39/33/1179033933.db2.gz ZAKJSUXSWSRNOD-MJGOQNOKSA-N 2 0 347.503 2.154 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468791 1179089620 /nfs/dbraw/zinc/08/96/20/1179089620.db2.gz CPFYRIRMBXGPGD-ZDUSSCGKSA-N 2 0 344.286 2.493 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCOc1cccc(C)c1 ZINC001267474697 1179107330 /nfs/dbraw/zinc/10/73/30/1179107330.db2.gz SKXFEJLBJYIJMH-LJQANCHMSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)C2([NH+](C)C)CCC2)C(C)C)o1 ZINC001267503071 1179198026 /nfs/dbraw/zinc/19/80/26/1179198026.db2.gz OBGSMOOFSRVECO-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(F)cc1 ZINC001267515150 1179234205 /nfs/dbraw/zinc/23/42/05/1179234205.db2.gz YIXNJESHQYKOKB-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H]1CCc2ccc(F)cc21 ZINC001481016581 1179502506 /nfs/dbraw/zinc/50/25/06/1179502506.db2.gz ODNHKEOQIHHGDD-SFHVURJKSA-N 2 0 333.451 2.347 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001481154853 1179941383 /nfs/dbraw/zinc/94/13/83/1179941383.db2.gz YIRGTOVXVKHADL-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)n1 ZINC001481238839 1180399962 /nfs/dbraw/zinc/39/99/62/1180399962.db2.gz GJIVTURTUDYELN-UHFFFAOYSA-N 2 0 332.492 2.237 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC[C@H](C)F)CCCC2)CC[N@@H+]1C ZINC001267837153 1180609656 /nfs/dbraw/zinc/60/96/56/1180609656.db2.gz HBDBYYXMRSFJDM-HRCADAONSA-N 2 0 327.488 2.483 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001267898282 1180717610 /nfs/dbraw/zinc/71/76/10/1180717610.db2.gz UTLOQVQURLWUCM-HPTQEQEDSA-N 2 0 325.884 2.053 10 0 EEAERP Cc1cncc(C[NH2+]CCC2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC001267919427 1180764612 /nfs/dbraw/zinc/76/46/12/1180764612.db2.gz YQWQNVKNBULPJS-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001267970389 1180875014 /nfs/dbraw/zinc/87/50/14/1180875014.db2.gz QELHRKNESUIPQZ-LJQANCHMSA-N 2 0 341.499 2.214 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)[C@@H]2CCCC[NH+]2C)C(C)C)o1 ZINC001481350317 1181092927 /nfs/dbraw/zinc/09/29/27/1181092927.db2.gz KOSGFWQFBHEHPD-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001481408683 1181240781 /nfs/dbraw/zinc/24/07/81/1181240781.db2.gz DOSMVMANTCCAAI-PKOBYXMFSA-N 2 0 344.503 2.236 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001481436932 1181338246 /nfs/dbraw/zinc/33/82/46/1181338246.db2.gz AOFHNWTVHHREKS-MAUKXSAKSA-N 2 0 348.466 2.033 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001481446851 1181371292 /nfs/dbraw/zinc/37/12/92/1181371292.db2.gz KNNHAOHTXLSFCJ-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CCCCCF)C2)C1 ZINC001481498608 1181572766 /nfs/dbraw/zinc/57/27/66/1181572766.db2.gz QOQBCJNPBLOBEK-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)on1 ZINC001268272765 1182122495 /nfs/dbraw/zinc/12/24/95/1182122495.db2.gz VWXDSKVVVGRMPO-SJLPKXTDSA-N 2 0 348.491 2.138 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2nccn21 ZINC001268280934 1182148490 /nfs/dbraw/zinc/14/84/90/1182148490.db2.gz OLLKCCHGXLEAJY-CVEARBPZSA-N 2 0 344.459 2.249 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001268286780 1182166491 /nfs/dbraw/zinc/16/64/91/1182166491.db2.gz FBRAKCUBSUQBLE-IRXDYDNUSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001268372062 1182369303 /nfs/dbraw/zinc/36/93/03/1182369303.db2.gz AUZWXSMPXNENMW-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268463071 1182765074 /nfs/dbraw/zinc/76/50/74/1182765074.db2.gz UXXLQIZTWPFVCI-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001481867436 1182838640 /nfs/dbraw/zinc/83/86/40/1182838640.db2.gz CFJLEAZJIHBUDD-CABCVRRESA-N 2 0 343.462 2.392 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001481930280 1182975590 /nfs/dbraw/zinc/97/55/90/1182975590.db2.gz GFRGRJBFTMGWGY-XFQXTVEOSA-N 2 0 344.503 2.105 10 0 EEAERP Cc1cncc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001481996422 1183102901 /nfs/dbraw/zinc/10/29/01/1183102901.db2.gz GAADXMLBSQIMDD-IBGZPJMESA-N 2 0 344.503 2.203 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001482027157 1183155870 /nfs/dbraw/zinc/15/58/70/1183155870.db2.gz ZKKFRKCEGNPIQT-JFIYKMOQSA-N 2 0 339.524 2.159 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001268542519 1183214484 /nfs/dbraw/zinc/21/44/84/1183214484.db2.gz QVCKKJJNKGKXJM-XDXAGZTOSA-N 2 0 330.476 2.025 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001270437048 1185100537 /nfs/dbraw/zinc/10/05/37/1185100537.db2.gz VJBJDPOBMKCFJB-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cncs1)C1CCCCC1 ZINC001482408078 1185636057 /nfs/dbraw/zinc/63/60/57/1185636057.db2.gz BFUNYHGKUWDBQM-MRXNPFEDSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482428602 1185686631 /nfs/dbraw/zinc/68/66/31/1185686631.db2.gz KHIWTCOPXTTWGA-MAUKXSAKSA-N 2 0 342.487 2.446 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001482444713 1185753575 /nfs/dbraw/zinc/75/35/75/1185753575.db2.gz OXAXBJUMLIQCHM-IRXDYDNUSA-N 2 0 348.491 2.246 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001482446086 1185761909 /nfs/dbraw/zinc/76/19/09/1185761909.db2.gz ONCLQGVRSORDJY-HOTGVXAUSA-N 2 0 343.462 2.487 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001271084240 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10 0 EEAERP CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001271898722 1186594134 /nfs/dbraw/zinc/59/41/34/1186594134.db2.gz UJIOHBYEKNZIAB-KSZLIROESA-N 2 0 339.499 2.391 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001482553088 1186699923 /nfs/dbraw/zinc/69/99/23/1186699923.db2.gz KCDDWUSLRWRPSK-STQMWFEESA-N 2 0 336.307 2.378 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCc2ccccc2)C2CC2)C1 ZINC001485826158 1193468248 /nfs/dbraw/zinc/46/82/48/1193468248.db2.gz IYASVIKPKTWLER-FXAWDEMLSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482815788 1187748530 /nfs/dbraw/zinc/74/85/30/1187748530.db2.gz AMRTXQJKBIJYKR-YOEHRIQHSA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1 ZINC001482847626 1187765718 /nfs/dbraw/zinc/76/57/18/1187765718.db2.gz GNRGNHWEIJSBBK-LSDHHAIUSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 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HYFIZRYDQSSZRW-IJLUTSLNSA-N 2 0 329.897 2.336 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483167349 1189003373 /nfs/dbraw/zinc/00/33/73/1189003373.db2.gz ZAHRIEZZFCXZKM-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001409343564 1189551048 /nfs/dbraw/zinc/55/10/48/1189551048.db2.gz BXABZTSWRASOTR-OLZOCXBDSA-N 2 0 339.430 2.432 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2ccnc2)s1 ZINC001409403736 1189630939 /nfs/dbraw/zinc/63/09/39/1189630939.db2.gz YLLFWVUWGAQGDW-VXGBXAGGSA-N 2 0 335.477 2.030 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409404040 1189631332 /nfs/dbraw/zinc/63/13/32/1189631332.db2.gz URADILOZJRWMQJ-SJORKVTESA-N 2 0 329.488 2.340 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001409419997 1189648420 /nfs/dbraw/zinc/64/84/20/1189648420.db2.gz LJTGMLNNPKCWIL-UONOGXRCSA-N 2 0 335.879 2.419 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccns1 ZINC001485893550 1193632470 /nfs/dbraw/zinc/63/24/70/1193632470.db2.gz MUYWXJTVOMEVDB-HOCLYGCPSA-N 2 0 338.521 2.200 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1N(C)C ZINC001483296834 1190319679 /nfs/dbraw/zinc/31/96/79/1190319679.db2.gz RQCRSTQTSLJZSE-LPHOPBHVSA-N 2 0 346.519 2.221 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C2CCC2)co1 ZINC001483437179 1190480643 /nfs/dbraw/zinc/48/06/43/1190480643.db2.gz MMKVHDWFIDOZOH-MAUKXSAKSA-N 2 0 348.491 2.232 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001483561543 1190550817 /nfs/dbraw/zinc/55/08/17/1190550817.db2.gz SZGDQZYRPNQXJQ-OALUTQOASA-N 2 0 327.472 2.013 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001483574016 1190563935 /nfs/dbraw/zinc/56/39/35/1190563935.db2.gz OBDVDPKOZDRJEJ-GUYCJALGSA-N 2 0 345.422 2.113 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC001483605663 1190584101 /nfs/dbraw/zinc/58/41/01/1190584101.db2.gz PQPSKFMRCXCDMR-RTBURBONSA-N 2 0 345.462 2.393 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1cc(C)no1 ZINC001483620633 1190602645 /nfs/dbraw/zinc/60/26/45/1190602645.db2.gz AHFFUZHGMCTNLB-WBVHZDCISA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001486122121 1193687822 /nfs/dbraw/zinc/68/78/22/1193687822.db2.gz PKEVQQGQCHZFMP-QAPCUYQASA-N 2 0 344.503 2.119 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)CC[NH+](C)C ZINC001486123818 1193688505 /nfs/dbraw/zinc/68/85/05/1193688505.db2.gz IBJMQWWMXHHNLK-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1oc(C)nc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409816619 1190648021 /nfs/dbraw/zinc/64/80/21/1190648021.db2.gz DANYDVKLMRTVPF-CVEARBPZSA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001486144440 1193696121 /nfs/dbraw/zinc/69/61/21/1193696121.db2.gz HAIFXUJJGWCEFV-JENIJYKNSA-N 2 0 337.508 2.009 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCF)CCCCC1 ZINC001272290739 1190745609 /nfs/dbraw/zinc/74/56/09/1190745609.db2.gz OEMRAWOCEUAZCN-HZPDHXFCSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCc2cccc(F)c2)C1 ZINC001484071355 1191192546 /nfs/dbraw/zinc/19/25/46/1191192546.db2.gz KOSREEVLGPZNEK-FQEVSTJZSA-N 2 0 347.478 2.435 10 0 EEAERP C[C@@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484123545 1191222990 /nfs/dbraw/zinc/22/29/90/1191222990.db2.gz BGSRRHIHCDXCGQ-AFCDSYGPSA-N 2 0 327.900 2.443 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cn1 ZINC001484464088 1191369019 /nfs/dbraw/zinc/36/90/19/1191369019.db2.gz JEXWOUKGEUOUGX-MSOLQXFVSA-N 2 0 348.466 2.128 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)co1 ZINC001484520013 1191394059 /nfs/dbraw/zinc/39/40/59/1191394059.db2.gz CHYXYWOCOONXBH-FUHWJXTLSA-N 2 0 348.491 2.184 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cn2)C1)C1CCC1 ZINC001484526797 1191395695 /nfs/dbraw/zinc/39/56/95/1191395695.db2.gz ZODCBZNQCSQTHC-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP C[N@H+](CCC(=O)N1CC[C@@H](CC[NH2+]CCF)C1)C1CCCCC1 ZINC001484532116 1191401156 /nfs/dbraw/zinc/40/11/56/1191401156.db2.gz MIQREWZJXTXJTI-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001484549538 1191409388 /nfs/dbraw/zinc/40/93/88/1191409388.db2.gz KATRYZQUBBQKKC-CVEARBPZSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001484551265 1191410477 /nfs/dbraw/zinc/41/04/77/1191410477.db2.gz FOHCUQIKEYJJHD-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1cccc2c1CC[NH+](CCCF)C2 ZINC001484612069 1191437073 /nfs/dbraw/zinc/43/70/73/1191437073.db2.gz GBXLMJPPUUBIBU-UHFFFAOYSA-N 2 0 335.467 2.361 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001484619706 1191444413 /nfs/dbraw/zinc/44/44/13/1191444413.db2.gz RYJCYEGOWMVSQW-MRXNPFEDSA-N 2 0 336.480 2.048 10 0 EEAERP CCc1nocc1C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001484663385 1191463361 /nfs/dbraw/zinc/46/33/61/1191463361.db2.gz RWCMPMCUATZXEH-HUUCEWRRSA-N 2 0 348.491 2.238 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCCOC)CC1 ZINC001484717365 1191481042 /nfs/dbraw/zinc/48/10/42/1191481042.db2.gz WLENKWYARSSHKX-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCOCC2)C1 ZINC001484872116 1191556816 /nfs/dbraw/zinc/55/68/16/1191556816.db2.gz SLIBFODQKOPDSX-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001484897683 1191568110 /nfs/dbraw/zinc/56/81/10/1191568110.db2.gz PPTYDMVXBRAJLD-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CO[C@@H](C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001484920393 1191575642 /nfs/dbraw/zinc/57/56/42/1191575642.db2.gz ASNYFHWPLHRNDW-SFHVURJKSA-N 2 0 347.503 2.297 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001485095996 1191654020 /nfs/dbraw/zinc/65/40/20/1191654020.db2.gz LSHZQBKROZVDHP-ZQWJVWCKSA-N 2 0 334.291 2.274 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197767 1191682606 /nfs/dbraw/zinc/68/26/06/1191682606.db2.gz FKMARHNLLKLUDJ-CVEARBPZSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001485208254 1191693624 /nfs/dbraw/zinc/69/36/24/1191693624.db2.gz FQERXMRXSPUXTR-CABCVRRESA-N 2 0 327.513 2.016 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2c1CCOC2)[NH+](C)C ZINC001485319247 1191733297 /nfs/dbraw/zinc/73/32/97/1191733297.db2.gz MUYUUYXRZILPQG-DNVCBOLYSA-N 2 0 347.503 2.036 10 0 EEAERP CCOCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349403 1191750112 /nfs/dbraw/zinc/75/01/12/1191750112.db2.gz FRYSGDIQRJQQDK-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(C2CC2)cc1 ZINC001485384791 1191769481 /nfs/dbraw/zinc/76/94/81/1191769481.db2.gz ZCXICIYXVPMBNM-BEFAXECRSA-N 2 0 329.488 2.452 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1 ZINC001485448515 1191788733 /nfs/dbraw/zinc/78/87/33/1191788733.db2.gz VIKDBJWCSBDOHN-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)cn1 ZINC001485455065 1191791736 /nfs/dbraw/zinc/79/17/36/1191791736.db2.gz QWNRLSQLMBILCR-MRXNPFEDSA-N 2 0 347.507 2.206 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1)c1ccccc1 ZINC001486247684 1193774135 /nfs/dbraw/zinc/77/41/35/1193774135.db2.gz JUWMEXZYHADOEL-IRXDYDNUSA-N 2 0 335.467 2.476 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001486302582 1193807200 /nfs/dbraw/zinc/80/72/00/1193807200.db2.gz FNMUZXUHNRUHKZ-IRXDYDNUSA-N 2 0 341.540 2.094 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)cs1 ZINC001486424849 1193938782 /nfs/dbraw/zinc/93/87/82/1193938782.db2.gz QLBLXKWAJPXPHG-OAHLLOKOSA-N 2 0 340.537 2.412 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001486439965 1193968051 /nfs/dbraw/zinc/96/80/51/1193968051.db2.gz VBOIEFCOYXBXGS-MRXNPFEDSA-N 2 0 344.503 2.140 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CC=C(Cl)Cl)C1 ZINC001486480777 1193994830 /nfs/dbraw/zinc/99/48/30/1193994830.db2.gz NUWVJMWSDBLIFD-PNESKVBLSA-N 2 0 334.291 2.226 10 0 EEAERP C[C@H](CC[NH2+]CCCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123310 1194406548 /nfs/dbraw/zinc/40/65/48/1194406548.db2.gz RIQYYMLVMCLGNT-QGZVFWFLSA-N 2 0 329.488 2.199 10 0 EEAERP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702075971 1195715055 /nfs/dbraw/zinc/71/50/55/1195715055.db2.gz JAQGYTVCFKGZEC-RIFZZMRRSA-N 2 0 327.472 2.107 10 0 EEAERP CC(C)[NH2+]CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702096315 1195726667 /nfs/dbraw/zinc/72/66/67/1195726667.db2.gz FEAQVBDLTAAASJ-AZUAARDMSA-N 2 0 329.488 2.355 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C)[NH+](C)C ZINC001410012377 1197118913 /nfs/dbraw/zinc/11/89/13/1197118913.db2.gz DMVOREYUMQOJSC-CABCVRRESA-N 2 0 345.478 2.445 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cs1 ZINC001273204963 1197530113 /nfs/dbraw/zinc/53/01/13/1197530113.db2.gz QASQIQQYETYKSQ-CQSZACIVSA-N 2 0 338.521 2.312 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3conc3C)C[C@@H]2C1 ZINC001410179894 1197588056 /nfs/dbraw/zinc/58/80/56/1197588056.db2.gz HXXHJHHUUNVXHN-XYJFISCASA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001410390007 1197790456 /nfs/dbraw/zinc/79/04/56/1197790456.db2.gz HSYDXWYTRCDTNW-SWLSCSKDSA-N 2 0 326.872 2.012 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CCO1 ZINC001273291663 1197961954 /nfs/dbraw/zinc/96/19/54/1197961954.db2.gz DXWQQMLWEIEBPC-GOSISDBHSA-N 2 0 347.503 2.021 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCOC1 ZINC000872022177 1198028248 /nfs/dbraw/zinc/02/82/48/1198028248.db2.gz HISZKXXNPXTQFB-ZWKOTPCHSA-N 2 0 332.492 2.128 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872151402 1198058483 /nfs/dbraw/zinc/05/84/83/1198058483.db2.gz KMDGIJOWAOKYHF-BXUZGUMPSA-N 2 0 345.365 2.093 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872151406 1198059535 /nfs/dbraw/zinc/05/95/35/1198059535.db2.gz KMDGIJOWAOKYHF-SMDDNHRTSA-N 2 0 345.365 2.093 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1F ZINC001410506045 1198063463 /nfs/dbraw/zinc/06/34/63/1198063463.db2.gz YBBBJSLAVFWKRD-UONOGXRCSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@]1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C[NH2+]CCO1 ZINC000872175580 1198071889 /nfs/dbraw/zinc/07/18/89/1198071889.db2.gz JYUIVSVAROEXMC-GOSISDBHSA-N 2 0 328.416 2.167 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=S)Nc2ccsc2)C[C@H]1C[NH+](C)C ZINC000865245750 1198138196 /nfs/dbraw/zinc/13/81/96/1198138196.db2.gz OMIUHXSEFNNYBG-CHWSQXEVSA-N 2 0 326.535 2.116 10 0 EEAERP OC1(C[NH2+]Cc2cn(C3CC3)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000865604469 1198295605 /nfs/dbraw/zinc/29/56/05/1198295605.db2.gz SSIUVGSEGLITNK-UHFFFAOYSA-N 2 0 340.471 2.335 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001410953732 1198621799 /nfs/dbraw/zinc/62/17/99/1198621799.db2.gz KOINUUHPJDFNPJ-IRXDYDNUSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C)c1 ZINC001411214064 1198922347 /nfs/dbraw/zinc/92/23/47/1198922347.db2.gz FWGWEHPEPPGSEA-KRWDZBQOSA-N 2 0 344.503 2.106 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001691696950 1199142024 /nfs/dbraw/zinc/14/20/24/1199142024.db2.gz KHCDWRRITDYKCB-WBVHZDCISA-N 2 0 339.524 2.255 10 0 EEAERP Cc1cccc(C)c1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875388189 1199232830 /nfs/dbraw/zinc/23/28/30/1199232830.db2.gz ISMDQPDAZHNLNK-QZTJIDSGSA-N 2 0 346.519 2.184 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C)CCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870017382 1200409538 /nfs/dbraw/zinc/40/95/38/1200409538.db2.gz MCYAMBUBUPJXML-OPYAIIAOSA-N 2 0 343.515 2.088 10 0 EEAERP CC1(C)[C@H](O)CC[NH+]1Cc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000812868103 1200974402 /nfs/dbraw/zinc/97/44/02/1200974402.db2.gz HCJHGGUNOASKMC-HDICACEKSA-N 2 0 332.488 2.377 10 0 EEAERP C[NH+]1CCC(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000882393459 1201865000 /nfs/dbraw/zinc/86/50/00/1201865000.db2.gz YVBAMGFVXBDDJH-LJQANCHMSA-N 2 0 342.487 2.251 10 0 EEAERP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886516431 1202517240 /nfs/dbraw/zinc/51/72/40/1202517240.db2.gz HNIJJLSKPRVJJQ-LULLPPNCSA-N 2 0 325.460 2.309 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001274445922 1205039359 /nfs/dbraw/zinc/03/93/59/1205039359.db2.gz LMBKSPTZJSRJQK-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21)C12CC[NH+](CC1)C2 ZINC001274508231 1205062557 /nfs/dbraw/zinc/06/25/57/1205062557.db2.gz HGWJUOXICQVSRS-QFRLHKFZSA-N 2 0 343.446 2.171 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001274577828 1205085274 /nfs/dbraw/zinc/08/52/74/1205085274.db2.gz CRCJLGHDXDKGND-XDXAGZTOSA-N 2 0 345.487 2.188 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001411806969 1205531684 /nfs/dbraw/zinc/53/16/84/1205531684.db2.gz LUKGVWUTYMCSKE-CGTJXYLNSA-N 2 0 346.523 2.134 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001276093293 1205778612 /nfs/dbraw/zinc/77/86/12/1205778612.db2.gz PLTIGLJZSPGDFD-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]CC[C@@H]1CCOC1)[NH+]1CCCCCC1 ZINC001276258946 1205859153 /nfs/dbraw/zinc/85/91/53/1205859153.db2.gz OSOXNSPSQLMEPY-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000924665558 1206014234 /nfs/dbraw/zinc/01/42/34/1206014234.db2.gz YWHADXNJORSANC-RTHVDDQRSA-N 2 0 345.462 2.360 10 0 EEAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000924920399 1206051371 /nfs/dbraw/zinc/05/13/71/1206051371.db2.gz NQTWHFZLZIEFAQ-MOPGFXCFSA-N 2 0 347.503 2.129 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925328281 1206097715 /nfs/dbraw/zinc/09/77/15/1206097715.db2.gz VUXWJPVEJGEJJB-NZSAHSFTSA-N 2 0 344.503 2.243 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508275 1206120719 /nfs/dbraw/zinc/12/07/19/1206120719.db2.gz PTRIKEAJFWTNLC-NWANDNLSSA-N 2 0 339.505 2.151 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583989 1206132285 /nfs/dbraw/zinc/13/22/85/1206132285.db2.gz ONQDHTIKRODTES-QZTJIDSGSA-N 2 0 348.922 2.322 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925664775 1206141609 /nfs/dbraw/zinc/14/16/09/1206141609.db2.gz AQVCYDXNCWHOET-MCIONIFRSA-N 2 0 325.250 2.342 10 0 EEAERP O=C(/C=C/c1ccccc1)NCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925664827 1206141658 /nfs/dbraw/zinc/14/16/58/1206141658.db2.gz HBAMNSVAVBXCNY-QZEKMECESA-N 2 0 327.472 2.470 10 0 EEAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925781176 1206153528 /nfs/dbraw/zinc/15/35/28/1206153528.db2.gz HMYHQEJXLYIPMS-VYDXJSESSA-N 2 0 338.446 2.126 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925857264 1206161771 /nfs/dbraw/zinc/16/17/71/1206161771.db2.gz ZHQNNCLISZUBJM-ROUUACIJSA-N 2 0 328.456 2.283 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925905847 1206166083 /nfs/dbraw/zinc/16/60/83/1206166083.db2.gz KACKAEMMZNCYLF-FUHWJXTLSA-N 2 0 347.507 2.058 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccnc1 ZINC000926165163 1206200473 /nfs/dbraw/zinc/20/04/73/1206200473.db2.gz PHEQQOKERPEUKD-SFHVURJKSA-N 2 0 339.443 2.499 10 0 EEAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000926167400 1206200662 /nfs/dbraw/zinc/20/06/62/1206200662.db2.gz NORIQIUAEIQFFU-HZPDHXFCSA-N 2 0 334.489 2.155 10 0 EEAERP O[C@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1(O)CCC1 ZINC000930138926 1206536921 /nfs/dbraw/zinc/53/69/21/1206536921.db2.gz RBMWMZGHUIKHPN-LJQANCHMSA-N 2 0 344.499 2.250 10 0 EEAERP CN1C[C@]2(C)C[N@H+](C[C@H]3CCN(C(=O)c4ccccc4)C3)C[C@]2(C)C1 ZINC000931314046 1206624012 /nfs/dbraw/zinc/62/40/12/1206624012.db2.gz IWKGINOKEYTPDX-UIFIKXQLSA-N 2 0 341.499 2.422 10 0 EEAERP COCC[N@H+](C[C@H](O)c1ccc(F)cc1C)CC1CC[NH+](C)CC1 ZINC001413041737 1217019865 /nfs/dbraw/zinc/01/98/65/1217019865.db2.gz PSNXQSHMMZVDGC-IBGZPJMESA-N 2 0 338.467 2.458 10 0 EEAERP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000900908928 1234988257 /nfs/dbraw/zinc/98/82/57/1234988257.db2.gz NCYVSAMLAJMWQR-HKUYNNGSSA-N 2 0 349.519 2.107 10 0 EEAERP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900962971 1235051682 /nfs/dbraw/zinc/05/16/82/1235051682.db2.gz PAHMBROROLKYNY-UHFFFAOYSA-N 2 0 327.472 2.205 10 0 EEAERP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000903064121 1239649024 /nfs/dbraw/zinc/64/90/24/1239649024.db2.gz MFIHGXGRAISJAD-ZMYBRWDISA-N 2 0 345.487 2.248 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903078529 1239679631 /nfs/dbraw/zinc/67/96/31/1239679631.db2.gz IJTWDXLARLGVKW-PMACEKPBSA-N 2 0 330.472 2.436 10 0 EEAERP C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903217470 1240030456 /nfs/dbraw/zinc/03/04/56/1240030456.db2.gz AYPMSBYHIQTBTG-JKSUJKDBSA-N 2 0 333.476 2.146 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCSC2)[C@@H](C)C1 ZINC000903310363 1240227349 /nfs/dbraw/zinc/22/73/49/1240227349.db2.gz KYEMZFAUIOBZOF-YESZJQIVSA-N 2 0 330.538 2.235 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCSC2)[C@H](C)C1 ZINC000903310361 1240227537 /nfs/dbraw/zinc/22/75/37/1240227537.db2.gz KYEMZFAUIOBZOF-IXDOHACOSA-N 2 0 330.538 2.235 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000903492939 1240658006 /nfs/dbraw/zinc/65/80/06/1240658006.db2.gz MDVGYSPQTWRBMI-OZVIIMIRSA-N 2 0 326.799 2.191 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nsc3ccccc31)C2 ZINC000903495109 1240666462 /nfs/dbraw/zinc/66/64/62/1240666462.db2.gz VOTPVQJAGNHVAQ-JKDFXYPNSA-N 2 0 331.441 2.009 10 0 EEAERP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496762 1240675030 /nfs/dbraw/zinc/67/50/30/1240675030.db2.gz BXIWXYNOVFPQJY-QLFBSQMISA-N 2 0 326.444 2.479 10 0 EEAERP COCCN1CC[C@@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383079913 1241369252 /nfs/dbraw/zinc/36/92/52/1241369252.db2.gz SVVQHIZQNVLLKZ-UXHICEINSA-N 2 0 331.504 2.209 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cnn1C ZINC000903912338 1242451500 /nfs/dbraw/zinc/45/15/00/1242451500.db2.gz DERBQQVPVUVRTP-DNVCBOLYSA-N 2 0 346.450 2.138 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])CNC[C@H]([NH3+])c2ccc(C(C)C)cc2)cnn1C ZINC000903916215 1242468303 /nfs/dbraw/zinc/46/83/03/1242468303.db2.gz FWNSIHCTEWZEAE-JXFKEZNVSA-N 2 0 343.519 2.259 10 0 EEAERP c1ccc([C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCOCC2)cc1 ZINC000903921884 1242507589 /nfs/dbraw/zinc/50/75/89/1242507589.db2.gz SBZIJTUHQPDYHV-QZNYNHHHSA-N 2 0 329.488 2.180 10 0 EEAERP COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903923444 1242515976 /nfs/dbraw/zinc/51/59/76/1242515976.db2.gz UNJMYEFXZXXPFF-TZMCWYRMSA-N 2 0 334.439 2.344 10 0 EEAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955953 1242706668 /nfs/dbraw/zinc/70/66/68/1242706668.db2.gz CUWJKBCSALYDPO-STQMWFEESA-N 2 0 341.402 2.247 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc3c1OC(C)(C)C3)C2 ZINC000903977228 1242824467 /nfs/dbraw/zinc/82/44/67/1242824467.db2.gz MEPIOUOLUBJQGQ-YRNRMSPPSA-N 2 0 344.455 2.112 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC000903977271 1242826455 /nfs/dbraw/zinc/82/64/55/1242826455.db2.gz NIFVPGRMEQVKPY-RBZYPMLTSA-N 2 0 348.390 2.479 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120504 1258702958 /nfs/dbraw/zinc/70/29/58/1258702958.db2.gz QHVKNUGBTRYMKW-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001491252869 1258846820 /nfs/dbraw/zinc/84/68/20/1258846820.db2.gz FWSKFFOPFKVPIO-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001491330998 1258965028 /nfs/dbraw/zinc/96/50/28/1258965028.db2.gz UQLNLAZCQLRDSZ-NTZUZEMLSA-N 2 0 333.520 2.486 10 0 EEAERP C[C@@H](CNC(=O)CCc1c[nH]cn1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001491478072 1259128159 /nfs/dbraw/zinc/12/81/59/1259128159.db2.gz YCURIUCMZSGVTJ-QWRGUYRKSA-N 2 0 333.263 2.021 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491502742 1259152973 /nfs/dbraw/zinc/15/29/73/1259152973.db2.gz BXYNYLOJKCPGDJ-DZGCQCFKSA-N 2 0 336.480 2.185 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000851727229 1277735517 /nfs/dbraw/zinc/73/55/17/1277735517.db2.gz HDVKYWULNBQWGI-INIZCTEOSA-N 2 0 348.424 2.379 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C2CC2)no1 ZINC001272774374 1277941617 /nfs/dbraw/zinc/94/16/17/1277941617.db2.gz USHBTBUVBGZLRW-KSSFIOAISA-N 2 0 348.491 2.409 10 0 EEAERP CCN(CC[NH2+]Cc1cn(C(C)C)nc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273709991 1283828907 /nfs/dbraw/zinc/82/89/07/1283828907.db2.gz FLZDSPTYRVBVRW-QGZVFWFLSA-N 2 0 349.523 2.052 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001489271973 1290499868 /nfs/dbraw/zinc/49/98/68/1290499868.db2.gz NJCAISWOCLBYEI-YCPHGPKFSA-N 2 0 343.462 2.485 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)C1 ZINC000925486238 1290541855 /nfs/dbraw/zinc/54/18/55/1290541855.db2.gz QGEMKRBWQKRQAP-IAGOWNOFSA-N 2 0 338.517 2.487 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001490261675 1291147043 /nfs/dbraw/zinc/14/70/43/1291147043.db2.gz ODWVWEWZSJFKHV-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](CC2CC2)CC1)Cc1ccccn1 ZINC001490268191 1291156455 /nfs/dbraw/zinc/15/64/55/1291156455.db2.gz JUCYGRVUXOVNJT-UHFFFAOYSA-N 2 0 344.503 2.142 10 0 EEAERP Cc1oncc1C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490409297 1291321764 /nfs/dbraw/zinc/32/17/64/1291321764.db2.gz KHDKLIWCGMMGAG-KRWDZBQOSA-N 2 0 348.491 2.280 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)CC[N@@H+]1C ZINC001490540663 1291417362 /nfs/dbraw/zinc/41/73/62/1291417362.db2.gz OYOKZFYLLZDWIO-MGPQQGTHSA-N 2 0 335.414 2.250 10 0 EEAERP C[NH+]1CCC2(CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)CC1 ZINC000854498783 1292812562 /nfs/dbraw/zinc/81/25/62/1292812562.db2.gz XPNKSEHVPOJOFW-GOSISDBHSA-N 2 0 325.472 2.143 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)OCc1ccc(Cl)cc1 ZINC000858942234 1294270001 /nfs/dbraw/zinc/27/00/01/1294270001.db2.gz VKNSAWFPWMCARE-UHFFFAOYSA-N 2 0 327.856 2.402 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000861630448 1295481968 /nfs/dbraw/zinc/48/19/68/1295481968.db2.gz SEOIWLVZJRGPHX-IMFGXOCKSA-N 2 0 344.503 2.338 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC001277218744 1301881334 /nfs/dbraw/zinc/88/13/34/1301881334.db2.gz SZKIPDXUVLSNJL-GUYCJALGSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277219277 1301884187 /nfs/dbraw/zinc/88/41/87/1301884187.db2.gz XNZZFKMYEGQAJF-HMZQOCAUSA-N 2 0 327.900 2.489 10 0 EEAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001325555510 1333910557 /nfs/dbraw/zinc/91/05/57/1333910557.db2.gz OMBYYYOJCMRERM-CNBITHIKSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCCC(C)(C)C ZINC001278017022 1305696209 /nfs/dbraw/zinc/69/62/09/1305696209.db2.gz GZFFBYCHWNLHBG-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP Cc1c(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)ccc2c[nH+]cn21 ZINC001278253592 1308917597 /nfs/dbraw/zinc/91/75/97/1308917597.db2.gz XEFXHDLTLIMXTD-KRWDZBQOSA-N 2 0 332.423 2.490 10 0 EEAERP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841021047 1315456650 /nfs/dbraw/zinc/45/66/50/1315456650.db2.gz YNAUNDAWKLBYFM-RKVPGOIHSA-N 2 0 331.460 2.486 10 0 EEAERP C[C@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[NH+]1CCCCC1 ZINC000841727379 1315604096 /nfs/dbraw/zinc/60/40/96/1315604096.db2.gz ZBSNLAFXBFFRPN-UABJAZSOSA-N 2 0 348.535 2.314 10 0 EEAERP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000843121300 1315847818 /nfs/dbraw/zinc/84/78/18/1315847818.db2.gz CMDJPWOGBBAOED-QGZVFWFLSA-N 2 0 326.444 2.054 10 0 EEAERP C[C@]1(C[NH2+]CC[C@@H]2CCCO2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278519567 1317126919 /nfs/dbraw/zinc/12/69/19/1317126919.db2.gz SKAPQQSCNLHIAQ-PKOBYXMFSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1cc([C@H]([NH3+])Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc(Cl)n1 ZINC001261442386 1322103601 /nfs/dbraw/zinc/10/36/01/1322103601.db2.gz OWFNMARPEAXYRD-ZIAGYGMSSA-N 2 0 347.850 2.478 10 0 EEAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001264538814 1322727636 /nfs/dbraw/zinc/72/76/36/1322727636.db2.gz LEZXQEOYHCQANY-IAGOWNOFSA-N 2 0 341.540 2.216 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001264686117 1322784241 /nfs/dbraw/zinc/78/42/41/1322784241.db2.gz ZXBZDWWQMXAAHD-GOSISDBHSA-N 2 0 339.524 2.260 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CCc1ccccc1F ZINC001265001422 1322847618 /nfs/dbraw/zinc/84/76/18/1322847618.db2.gz WKLQSVPGKLCDFS-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1sccc1Cl ZINC001265068269 1322905524 /nfs/dbraw/zinc/90/55/24/1322905524.db2.gz DFRUMTMLVLKNJY-UHFFFAOYSA-N 2 0 329.897 2.435 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001265312555 1323060779 /nfs/dbraw/zinc/06/07/79/1323060779.db2.gz QITDKTNEAQYWLH-ZDUSSCGKSA-N 2 0 333.398 2.005 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)sc1C ZINC001265566137 1323222570 /nfs/dbraw/zinc/22/25/70/1323222570.db2.gz BLIXNMQBUZBXKR-GASCZTMLSA-N 2 0 338.521 2.229 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266005171 1323559354 /nfs/dbraw/zinc/55/93/54/1323559354.db2.gz SHFBNBUNGUFRTL-STQMWFEESA-N 2 0 334.291 2.228 10 0 EEAERP CO[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119303 1323689169 /nfs/dbraw/zinc/68/91/69/1323689169.db2.gz BONQTXLVBCFDAC-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138772 1323709324 /nfs/dbraw/zinc/70/93/24/1323709324.db2.gz SVBUNFHPJNNAMK-RDJZCZTQSA-N 2 0 325.472 2.047 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001279567102 1323940221 /nfs/dbraw/zinc/94/02/21/1323940221.db2.gz WCACPOVIPWVWQE-SQNIBIBYSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2nc(C)cs2)C1)[NH+](C)C ZINC001280096265 1324083816 /nfs/dbraw/zinc/08/38/16/1324083816.db2.gz UMFAZTHSSDVNCK-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C/c2ccccc2)C1 ZINC001281990037 1325559532 /nfs/dbraw/zinc/55/95/32/1325559532.db2.gz BRQHYPMBIHHZGY-UTWBMBQZSA-N 2 0 327.472 2.278 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001282833750 1325801353 /nfs/dbraw/zinc/80/13/53/1325801353.db2.gz RDXKDGICBJWDFO-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1oncc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284034767 1326373049 /nfs/dbraw/zinc/37/30/49/1326373049.db2.gz VOWSZLZOGDFZHL-QAPCUYQASA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)OCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001284947541 1326789661 /nfs/dbraw/zinc/78/96/61/1326789661.db2.gz VZNIIKMANNFPJS-UHFFFAOYSA-N 2 0 337.508 2.034 10 0 EEAERP CC[NH+](CC)C1CCN(c2nnc(C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295464290 1329813686 /nfs/dbraw/zinc/81/36/86/1329813686.db2.gz AGSGIQXPCLXZDZ-UHFFFAOYSA-N 2 0 346.523 2.159 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H](C[NH2+]CCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001491816412 1330262064 /nfs/dbraw/zinc/26/20/64/1330262064.db2.gz MIIJIBRPZJQQNR-INIZCTEOSA-N 2 0 344.459 2.119 10 0 EEAERP Cc1c(C(=O)N2CC[C@H](C[NH2+]CCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001491816414 1330262163 /nfs/dbraw/zinc/26/21/63/1330262163.db2.gz MIIJIBRPZJQQNR-MRXNPFEDSA-N 2 0 344.459 2.119 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC[C@H]2CCCCO2)C1 ZINC001491956315 1330349133 /nfs/dbraw/zinc/34/91/33/1330349133.db2.gz LGEBUMDKXNKJOO-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)c(C)n1 ZINC001492118910 1330487931 /nfs/dbraw/zinc/48/79/31/1330487931.db2.gz HHFPKSGMSMMXJC-QRWLVFNGSA-N 2 0 344.503 2.169 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001492128801 1330981663 /nfs/dbraw/zinc/98/16/63/1330981663.db2.gz FYGQBHDVFRSXIW-CZUORRHYSA-N 2 0 336.480 2.150 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001492175093 1331052950 /nfs/dbraw/zinc/05/29/50/1331052950.db2.gz BVAGWQAGTVIDCE-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001492304213 1331144018 /nfs/dbraw/zinc/14/40/18/1331144018.db2.gz PZXDEEPDMGCOJT-MAUKXSAKSA-N 2 0 333.476 2.289 10 0 EEAERP CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001316766091 1331820298 /nfs/dbraw/zinc/82/02/98/1331820298.db2.gz GXVBGEYIVXWRIS-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001316793126 1331895917 /nfs/dbraw/zinc/89/59/17/1331895917.db2.gz MEQBYMJWXQVXGN-ROEZOGTPSA-N 2 0 337.508 2.033 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)Cc2ccccn2)c1 ZINC001316869702 1331940194 /nfs/dbraw/zinc/94/01/94/1331940194.db2.gz JCNOBHAXCJRBMP-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCOC1CCC1 ZINC001316881855 1331948452 /nfs/dbraw/zinc/94/84/52/1331948452.db2.gz WQRAWVMMTLUNKI-SJLPKXTDSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001316985006 1332030011 /nfs/dbraw/zinc/03/00/11/1332030011.db2.gz GXWWREPWDXSANR-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ncccn1 ZINC001317163218 1332106652 /nfs/dbraw/zinc/10/66/52/1332106652.db2.gz SJHIVIPKLOAKTG-SJORKVTESA-N 2 0 347.507 2.098 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC/C=C\c3ccccc3)C2)C1 ZINC001317344148 1332187717 /nfs/dbraw/zinc/18/77/17/1332187717.db2.gz PXZJNFMRHXPUKX-NIKFVJRQSA-N 2 0 341.499 2.480 10 0 EEAERP O=C(NCc1ccc(CC[NH2+]CC2CC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001317366415 1332197490 /nfs/dbraw/zinc/19/74/90/1332197490.db2.gz MHVNAKPOXDBATH-HXUWFJFHSA-N 2 0 341.499 2.187 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001317530467 1332286222 /nfs/dbraw/zinc/28/62/22/1332286222.db2.gz XKYDSHYMRRAYSQ-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP CN(CC[NH2+]CC1CCCC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317625172 1332334430 /nfs/dbraw/zinc/33/44/30/1332334430.db2.gz BVFPPUNHNJRMAO-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP CN(C)c1ccccc1C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001317670795 1332362603 /nfs/dbraw/zinc/36/26/03/1332362603.db2.gz WTAUQRSPEGUOBS-UHFFFAOYSA-N 2 0 346.519 2.177 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCOC(C)C ZINC001319132563 1332654260 /nfs/dbraw/zinc/65/42/60/1332654260.db2.gz PZAYDRPCZIHTEJ-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1c(C(=O)N(C)[C@H](C)C[NH2+]CC[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001319486280 1332710297 /nfs/dbraw/zinc/71/02/97/1332710297.db2.gz MTMBDHKCFFXSLM-GDBMZVCRSA-N 2 0 344.459 2.119 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH2+]CCO)C2CCCCC2)cc1 ZINC001319663373 1332736787 /nfs/dbraw/zinc/73/67/87/1332736787.db2.gz MLQUONIHDQJLNH-IBGZPJMESA-N 2 0 347.503 2.009 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320515533 1332901099 /nfs/dbraw/zinc/90/10/99/1332901099.db2.gz DYKYLTVKOAVYQR-DNVCBOLYSA-N 2 0 329.488 2.254 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320635874 1332926460 /nfs/dbraw/zinc/92/64/60/1332926460.db2.gz ZKNDLHBGSJYWCO-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001320997758 1332994160 /nfs/dbraw/zinc/99/41/60/1332994160.db2.gz KWKSKIXEXSVVMT-VZSQWMKGSA-N 2 0 345.487 2.038 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccc(Cl)cc1 ZINC001321190040 1333040894 /nfs/dbraw/zinc/04/08/94/1333040894.db2.gz SDPGTKJSMKKTOV-RCAFFNEUSA-N 2 0 335.879 2.239 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001321405554 1333096739 /nfs/dbraw/zinc/09/67/39/1333096739.db2.gz SINXDDFUAOKUAQ-UPHRSURJSA-N 2 0 339.842 2.337 10 0 EEAERP C[C@H](C[N@H+](C)CC[C@@H]1CC1(Cl)Cl)NC(=O)C[NH+]1CCCC1 ZINC001322298396 1333243155 /nfs/dbraw/zinc/24/31/55/1333243155.db2.gz LLXZMFWZOJIOMD-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1CC ZINC001323141270 1333395048 /nfs/dbraw/zinc/39/50/48/1333395048.db2.gz ASUBCYXLCQOXNG-DLBZAZTESA-N 2 0 349.523 2.075 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001324082781 1333604756 /nfs/dbraw/zinc/60/47/56/1333604756.db2.gz SYZIUNOFNVKNFA-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001324556329 1333708506 /nfs/dbraw/zinc/70/85/06/1333708506.db2.gz HASNSGILUTVRPF-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2COCCN2C2CCCC2)CCC1 ZINC001326874834 1334174709 /nfs/dbraw/zinc/17/47/09/1334174709.db2.gz KMXWEKDTHXOJDQ-GOSISDBHSA-N 2 0 349.519 2.225 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001328099369 1334395859 /nfs/dbraw/zinc/39/58/59/1334395859.db2.gz UQGQUCMHYTZUPU-KRWDZBQOSA-N 2 0 341.540 2.216 10 0 EEAERP CCCC[NH2+]CC1(O)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001328218012 1334417070 /nfs/dbraw/zinc/41/70/70/1334417070.db2.gz SODNVUGKWXYPKD-UHFFFAOYSA-N 2 0 347.503 2.105 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001330160308 1334790117 /nfs/dbraw/zinc/79/01/17/1334790117.db2.gz MVAOWXPHMCHMAK-IBGZPJMESA-N 2 0 339.524 2.212 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cscn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330946066 1334932398 /nfs/dbraw/zinc/93/23/98/1334932398.db2.gz KVQJBRLVVBJQTO-HNNXBMFYSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001331942641 1335683010 /nfs/dbraw/zinc/68/30/10/1335683010.db2.gz DFXGUOUOYAGYDV-IEBWSBKVSA-N 2 0 347.503 2.293 10 0 EEAERP COCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001332030794 1335710063 /nfs/dbraw/zinc/71/00/63/1335710063.db2.gz JDVCQIQEGAKRRJ-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001332109255 1335731121 /nfs/dbraw/zinc/73/11/21/1335731121.db2.gz FKNSTMABWSWLNY-FXAWDEMLSA-N 2 0 349.519 2.012 10 0 EEAERP COCCC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001333074955 1335958547 /nfs/dbraw/zinc/95/85/47/1335958547.db2.gz CJDZDXPFQHWIFW-UHFFFAOYSA-N 2 0 339.505 2.039 10 0 EEAERP CC(C)OCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001333354991 1336018191 /nfs/dbraw/zinc/01/81/91/1336018191.db2.gz WGAQVMWWSJGWOE-UHFFFAOYSA-N 2 0 349.519 2.036 10 0 EEAERP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001350317498 1337694397 /nfs/dbraw/zinc/69/43/97/1337694397.db2.gz WQZCPXLMBDGBPR-ZDUSSCGKSA-N 2 0 325.416 2.457 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1Cl ZINC001480435274 1338156591 /nfs/dbraw/zinc/15/65/91/1338156591.db2.gz DLFQPAPIJRPGBG-RISCZKNCSA-N 2 0 327.831 2.168 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001480531027 1338309867 /nfs/dbraw/zinc/30/98/67/1338309867.db2.gz SVQNFRIXUWGCCK-KBPBESRZSA-N 2 0 331.451 2.248 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848294101 1338645277 /nfs/dbraw/zinc/64/52/77/1338645277.db2.gz CODSODNRZKQMPN-YESZJQIVSA-N 2 0 327.513 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001434669508 1341904373 /nfs/dbraw/zinc/90/43/73/1341904373.db2.gz FQXNFCFLYVGPHC-SZMVWBNQSA-N 2 0 346.523 2.134 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001436321350 1342025299 /nfs/dbraw/zinc/02/52/99/1342025299.db2.gz KUAOLIAJBOWYAM-QFBILLFUSA-N 2 0 329.488 2.370 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001670138990 1356283262 /nfs/dbraw/zinc/28/32/62/1356283262.db2.gz SPDDDULTDGSJDS-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP COCc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001500253631 1342114796 /nfs/dbraw/zinc/11/47/96/1342114796.db2.gz JBTCOXUMRNCTPW-FQEVSTJZSA-N 2 0 347.503 2.255 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001500289299 1342136281 /nfs/dbraw/zinc/13/62/81/1342136281.db2.gz HVSKTRXBQJTQGX-OXJNMPFZSA-N 2 0 345.487 2.433 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001501391872 1342189175 /nfs/dbraw/zinc/18/91/75/1342189175.db2.gz UOWPOAIDRIHDSZ-KURKYZTESA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001672853075 1356599808 /nfs/dbraw/zinc/59/98/08/1356599808.db2.gz QCZVDGYNHCWMHF-QGZVFWFLSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H](Cc2ccccc2)[NH2+]CC2CC2)C1 ZINC001507387927 1342318994 /nfs/dbraw/zinc/31/89/94/1342318994.db2.gz FRCIIEXDBIQQCD-OALUTQOASA-N 2 0 329.488 2.055 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001567044932 1342684909 /nfs/dbraw/zinc/68/49/09/1342684909.db2.gz XETJLXGJKNWKMO-ZWKOTPCHSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@H]1CCCC[C@@H]1OCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507533 1342774985 /nfs/dbraw/zinc/77/49/85/1342774985.db2.gz FCDYTVYGZZGRKT-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CCCC[C@H]1OCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507531 1342775150 /nfs/dbraw/zinc/77/51/50/1342775150.db2.gz FCDYTVYGZZGRKT-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001571518106 1343226347 /nfs/dbraw/zinc/22/63/47/1343226347.db2.gz AVUFAXYIHASBME-IRXDYDNUSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCc1cccs1)C(C)(C)C ZINC001571632183 1343255362 /nfs/dbraw/zinc/25/53/62/1343255362.db2.gz OCXVUCHUTYDBSA-HNNXBMFYSA-N 2 0 325.522 2.363 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001571634370 1343256119 /nfs/dbraw/zinc/25/61/19/1343256119.db2.gz HIDKWPJCYXYQAS-IAGOWNOFSA-N 2 0 341.540 2.408 10 0 EEAERP CC(C)(C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)[NH+]1CCCCC1 ZINC001676998808 1357258988 /nfs/dbraw/zinc/25/89/88/1357258988.db2.gz NZVSGBKTUBTARR-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C3CC[NH+](CCCCCF)CC3)CC2)C1 ZINC001677467469 1357336648 /nfs/dbraw/zinc/33/66/48/1357336648.db2.gz MILYGXDCGSYYGT-MRXNPFEDSA-N 2 0 339.499 2.439 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001624907897 1352434486 /nfs/dbraw/zinc/43/44/86/1352434486.db2.gz ZSCRTLCWEFQIAM-MRXNPFEDSA-N 2 0 332.492 2.355 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001649470323 1353523289 /nfs/dbraw/zinc/52/32/89/1353523289.db2.gz ISOMUCHZDYPLGL-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001649857995 1353628325 /nfs/dbraw/zinc/62/83/25/1353628325.db2.gz PCWFXIQXFLBPTK-MOPGFXCFSA-N 2 0 345.487 2.295 10 0 EEAERP COCCSCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001655855533 1354187590 /nfs/dbraw/zinc/18/75/90/1354187590.db2.gz JWPVTNCGAYIFOK-UHFFFAOYSA-N 2 0 330.538 2.069 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001656293720 1354221307 /nfs/dbraw/zinc/22/13/07/1354221307.db2.gz QRLRTCPFQFRDBS-XMTFNYHQSA-N 2 0 339.524 2.016 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccc(F)cc1 ZINC001660529348 1354482324 /nfs/dbraw/zinc/48/23/24/1354482324.db2.gz SDEWXGFFVPUWOY-LJQANCHMSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663493083 1354970954 /nfs/dbraw/zinc/97/09/54/1354970954.db2.gz LLRSYRCXRGGIQB-MSOLQXFVSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001663587874 1354993773 /nfs/dbraw/zinc/99/37/73/1354993773.db2.gz UTJJMFPSFVLDAE-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001663941264 1355058227 /nfs/dbraw/zinc/05/82/27/1355058227.db2.gz IOYKQXMYVFVAIC-SOUVJXGZSA-N 2 0 331.451 2.200 10 0 EEAERP COCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001664436797 1355163249 /nfs/dbraw/zinc/16/32/49/1355163249.db2.gz IHOUYSFGNZZQNE-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001665715334 1355370908 /nfs/dbraw/zinc/37/09/08/1355370908.db2.gz OSCMQAGELZBFLP-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001666428823 1355526318 /nfs/dbraw/zinc/52/63/18/1355526318.db2.gz PXFPJQBPDMOZNB-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667307226 1355706227 /nfs/dbraw/zinc/70/62/27/1355706227.db2.gz SJEPTYPLVORNJQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112959 1355874181 /nfs/dbraw/zinc/87/41/81/1355874181.db2.gz PSEVGBNVWWXUMA-SUMWQHHRSA-N 2 0 336.480 2.014 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001668533785 1355958170 /nfs/dbraw/zinc/95/81/70/1355958170.db2.gz QSBRMTBNMGZALC-HOTGVXAUSA-N 2 0 335.467 2.494 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001668619277 1355973209 /nfs/dbraw/zinc/97/32/09/1355973209.db2.gz IUDDXMMATFXLMQ-UHFFFAOYSA-N 2 0 345.487 2.038 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccns1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865004 1356027504 /nfs/dbraw/zinc/02/75/04/1356027504.db2.gz OHCMYBJKSXTSFB-CWIOURORSA-N 2 0 348.516 2.312 10 0 EEAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001669664108 1356191377 /nfs/dbraw/zinc/19/13/77/1356191377.db2.gz CXHPJMGYTXTKLV-AWEZNQCLSA-N 2 0 325.522 2.363 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)c1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001670344366 1356323705 /nfs/dbraw/zinc/32/37/05/1356323705.db2.gz GJYLQNUUFFFFNP-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1oncc1C[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001671804345 1356418360 /nfs/dbraw/zinc/41/83/60/1356418360.db2.gz AEZPVLHZBMHPRG-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001673747563 1356741896 /nfs/dbraw/zinc/74/18/96/1356741896.db2.gz ZCGIOISVRKFVJG-ZWKOTPCHSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccns2)ccc2c[nH+]cn21 ZINC001674687189 1356876265 /nfs/dbraw/zinc/87/62/65/1356876265.db2.gz NFTMWLTVWYPTEH-VXGBXAGGSA-N 2 0 343.456 2.396 10 0 EEAERP CC(C)COCC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001674811487 1356899699 /nfs/dbraw/zinc/89/96/99/1356899699.db2.gz CJTSOMZEQOXYNN-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001698716668 1405020735 /nfs/dbraw/zinc/02/07/35/1405020735.db2.gz QMMSNPWMJUYHSG-HZPDHXFCSA-N 2 0 335.467 2.482 10 0 EEAERP O=C(NCC1([NH2+]CCCc2ccccc2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001699651114 1405430423 /nfs/dbraw/zinc/43/04/23/1405430423.db2.gz KUVHVZVGRBNJLC-IBGZPJMESA-N 2 0 341.499 2.199 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001699766385 1405475064 /nfs/dbraw/zinc/47/50/64/1405475064.db2.gz PTXJJFSAOFPDSW-SFHVURJKSA-N 2 0 348.491 2.330 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001699826503 1405512521 /nfs/dbraw/zinc/51/25/21/1405512521.db2.gz MLXRPSVAVREIGI-PKOBYXMFSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000921327143 773289846 /nfs/dbraw/zinc/28/98/46/773289846.db2.gz YWLUYSZWOZMAIV-NEPXVJNWSA-N 2 0 344.503 2.289 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921438379 773374014 /nfs/dbraw/zinc/37/40/14/773374014.db2.gz ZMOLTCHOKFPDTC-ROUUACIJSA-N 2 0 347.507 2.248 10 0 EEAERP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806189 777282883 /nfs/dbraw/zinc/28/28/83/777282883.db2.gz BDMAXRGPFLFWGY-IRXDYDNUSA-N 2 0 330.538 2.492 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cncc(Br)c2)C[C@H]1C[NH+](C)C ZINC000705943966 784831405 /nfs/dbraw/zinc/83/14/05/784831405.db2.gz DSKRKHRNIAYHGC-CHWSQXEVSA-N 2 0 341.297 2.020 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000819174748 785447847 /nfs/dbraw/zinc/44/78/47/785447847.db2.gz RCPQOXGLHNSJMG-HSALFYBXSA-N 2 0 332.488 2.386 10 0 EEAERP Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000819195757 785456898 /nfs/dbraw/zinc/45/68/98/785456898.db2.gz JOSBCIACTVOGKB-SFHVURJKSA-N 2 0 347.434 2.293 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1cccnc1 ZINC000922931738 788350877 /nfs/dbraw/zinc/35/08/77/788350877.db2.gz XXINZWASVTVWFI-ABHNRTSZSA-N 2 0 347.507 2.246 10 0 EEAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000923388050 789484352 /nfs/dbraw/zinc/48/43/52/789484352.db2.gz MZSYHWNPRFQJKL-RBUKOAKNSA-N 2 0 332.488 2.446 10 0 EEAERP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455347 789571854 /nfs/dbraw/zinc/57/18/54/789571854.db2.gz LEVUVPRGKWVRHA-HOTGVXAUSA-N 2 0 331.460 2.152 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000846304255 790125965 /nfs/dbraw/zinc/12/59/65/790125965.db2.gz KIIKIRWHOXJVMN-UHFFFAOYSA-N 2 0 345.491 2.079 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913870240 794437583 /nfs/dbraw/zinc/43/75/83/794437583.db2.gz SWUDVANFPVAOCJ-BZUAXINKSA-N 2 0 334.464 2.198 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000913881082 794467876 /nfs/dbraw/zinc/46/78/76/794467876.db2.gz LMUNLIWWVOUHMW-SFHVURJKSA-N 2 0 347.507 2.246 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCCc2cccnc2)cnn1C ZINC000903929227 796153374 /nfs/dbraw/zinc/15/33/74/796153374.db2.gz CIZHCJJOXIVUOT-YJBOKZPZSA-N 2 0 329.492 2.242 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001565938420 1125465753 /nfs/dbraw/zinc/46/57/53/1125465753.db2.gz IKZLWNPUQADCIC-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001566075833 1125548499 /nfs/dbraw/zinc/54/84/99/1125548499.db2.gz WZZSSNVUGRKHCL-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cnccn1 ZINC001566497994 1125665260 /nfs/dbraw/zinc/66/52/60/1125665260.db2.gz PAKMRXARNMGDTA-AEFFLSMTSA-N 2 0 347.507 2.239 10 0 EEAERP Cc1nocc1C[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001566508253 1125677308 /nfs/dbraw/zinc/67/73/08/1125677308.db2.gz XPCBYJNWSDSKGZ-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C[C@H]1CCCC(F)(F)C1 ZINC001566516804 1125688647 /nfs/dbraw/zinc/68/86/47/1125688647.db2.gz YWKQKNQQMLSKBW-HNNXBMFYSA-N 2 0 331.451 2.346 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C[C@@H]1CCCCO1)C1CC1 ZINC001566590453 1125780074 /nfs/dbraw/zinc/78/00/74/1125780074.db2.gz OULCFSNSKOSGOQ-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+](C)C)cs1 ZINC001436435026 1087813136 /nfs/dbraw/zinc/81/31/36/1087813136.db2.gz YEKUZALILVRDFD-CJNGLKHVSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccn(CC)n1 ZINC001436666323 1088100835 /nfs/dbraw/zinc/10/08/35/1088100835.db2.gz LSUOSPLZBFZAFR-SJLPKXTDSA-N 2 0 349.523 2.104 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C2CC2)o1 ZINC001436823450 1088420471 /nfs/dbraw/zinc/42/04/71/1088420471.db2.gz JUKGJAFNLAREDM-GOSISDBHSA-N 2 0 348.491 2.088 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001436957535 1088645604 /nfs/dbraw/zinc/64/56/04/1088645604.db2.gz XVHFJHKIVDZLEG-FGTMMUONSA-N 2 0 345.487 2.306 10 0 EEAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001437193033 1089239169 /nfs/dbraw/zinc/23/91/69/1089239169.db2.gz FGHNTTQKDXDXEW-LRDDRELGSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001437235348 1089335324 /nfs/dbraw/zinc/33/53/24/1089335324.db2.gz KGBONYHICKRUQU-HOCLYGCPSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001437411600 1089690730 /nfs/dbraw/zinc/69/07/30/1089690730.db2.gz SAWICKXTMLJVDZ-HUUCEWRRSA-N 2 0 336.480 2.232 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@@H]1CCCC1(F)F ZINC001437591395 1090087736 /nfs/dbraw/zinc/08/77/36/1090087736.db2.gz RDOGPIULSUVGNE-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001437716132 1090263273 /nfs/dbraw/zinc/26/32/73/1090263273.db2.gz XWAQXTLAWOUSLJ-HOCLYGCPSA-N 2 0 341.496 2.366 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001437925229 1090518362 /nfs/dbraw/zinc/51/83/62/1090518362.db2.gz PVMLHPJFSFRWNE-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCF)C1 ZINC001437945895 1090541303 /nfs/dbraw/zinc/54/13/03/1090541303.db2.gz MFXNNDIKIZFZFK-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001437949413 1090545061 /nfs/dbraw/zinc/54/50/61/1090545061.db2.gz RHYRFUUVXKBJBB-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP CCCOc1cccc(C[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001438158168 1090672157 /nfs/dbraw/zinc/67/21/57/1090672157.db2.gz IPNQJRSWYMRZKK-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccns1 ZINC001438320384 1090795832 /nfs/dbraw/zinc/79/58/32/1090795832.db2.gz DPGZPOPSHDIICM-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)c(F)c1 ZINC001438378250 1090859697 /nfs/dbraw/zinc/85/96/97/1090859697.db2.gz OOQRMNVZKBQLKW-AWEZNQCLSA-N 2 0 337.414 2.045 10 0 EEAERP COc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001438410572 1090900658 /nfs/dbraw/zinc/90/06/58/1090900658.db2.gz AYTBDXUJBQMLLA-ICSRJNTNSA-N 2 0 345.487 2.164 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438495458 1090993364 /nfs/dbraw/zinc/99/33/64/1090993364.db2.gz YSKNQBFDQQMFDT-IFXJQAMLSA-N 2 0 347.478 2.318 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(C)n1 ZINC001438499584 1090994701 /nfs/dbraw/zinc/99/47/01/1090994701.db2.gz PAONIUPHXMNYQP-CQSZACIVSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001438647242 1091130639 /nfs/dbraw/zinc/13/06/39/1091130639.db2.gz DMABPLIYGSCQIW-KSSFIOAISA-N 2 0 348.491 2.327 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438775007 1091364272 /nfs/dbraw/zinc/36/42/72/1091364272.db2.gz UNBQXYMENSFILH-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP COc1cc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)ccc1C ZINC001445848871 1091757837 /nfs/dbraw/zinc/75/78/37/1091757837.db2.gz FWRHMGNUOFRACY-SJLPKXTDSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001439214127 1091858102 /nfs/dbraw/zinc/85/81/02/1091858102.db2.gz KWMZYXSSWSJNII-LRDDRELGSA-N 2 0 338.521 2.227 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446073896 1092091926 /nfs/dbraw/zinc/09/19/26/1092091926.db2.gz RADYEBPIUWUJPM-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1F ZINC001439473042 1092265979 /nfs/dbraw/zinc/26/59/79/1092265979.db2.gz AXDDFYCTRDWTST-LIRRHRJNSA-N 2 0 347.478 2.460 10 0 EEAERP CCc1ccccc1C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001446267497 1092413025 /nfs/dbraw/zinc/41/30/25/1092413025.db2.gz OGQJYQSESWLBJT-INIZCTEOSA-N 2 0 329.488 2.329 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1C ZINC001446268198 1092415039 /nfs/dbraw/zinc/41/50/39/1092415039.db2.gz QRVFZYZBSWWQLX-INIZCTEOSA-N 2 0 345.487 2.084 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@]3(CCN(C(=O)C[N@@H+](C)C(C)C)C3)C2)o1 ZINC001446326809 1092525256 /nfs/dbraw/zinc/52/52/56/1092525256.db2.gz GHIUQSYYYLXMNU-IBGZPJMESA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC001439781528 1092736480 /nfs/dbraw/zinc/73/64/80/1092736480.db2.gz FZMOFJMHXYXXRK-SFHVURJKSA-N 2 0 340.471 2.267 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccccc1C[N@H+](C)C[C@H]1CCCOC1 ZINC001440220908 1093299008 /nfs/dbraw/zinc/29/90/08/1093299008.db2.gz VCIFLHAXMDTYTN-QGZVFWFLSA-N 2 0 347.503 2.113 10 0 EEAERP COC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001440221571 1093300158 /nfs/dbraw/zinc/30/01/58/1093300158.db2.gz ZLGWZHCKYZFJRR-INIZCTEOSA-N 2 0 347.503 2.111 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1C[C@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001440246735 1093337429 /nfs/dbraw/zinc/33/74/29/1093337429.db2.gz DHQPAASRPKXIBV-JKSUJKDBSA-N 2 0 343.462 2.440 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC3CC[NH+](C)CC3)C2)no1 ZINC001440406548 1093597096 /nfs/dbraw/zinc/59/70/96/1093597096.db2.gz PYSZHNINIVMHAP-DLBZAZTESA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC=C(Cl)Cl ZINC001448564813 1093613599 /nfs/dbraw/zinc/61/35/99/1093613599.db2.gz VOOGHTCFTRNPGE-QWHCGFSZSA-N 2 0 336.307 2.378 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CCCF)[C@@H]3C2(C)C)CC1 ZINC001440441068 1093648417 /nfs/dbraw/zinc/64/84/17/1093648417.db2.gz JTFPDNXKOKCSDB-OAGGEKHMSA-N 2 0 339.499 2.293 10 0 EEAERP CC[C@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)OC ZINC001440519060 1093769680 /nfs/dbraw/zinc/76/96/80/1093769680.db2.gz KWSMOHBRGCCCQY-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)sc1C ZINC001448777520 1093856868 /nfs/dbraw/zinc/85/68/68/1093856868.db2.gz VMXDSFPKLPGWBH-IUODEOHRSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001440670199 1093934664 /nfs/dbraw/zinc/93/46/64/1093934664.db2.gz AXQNNRYGYPEYQJ-HOCLYGCPSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2c3ccccc3CC[NH+]2CC2CC2)C1 ZINC001440690841 1093943570 /nfs/dbraw/zinc/94/35/70/1093943570.db2.gz QZSKHQPLTFMVON-OXQOHEQNSA-N 2 0 341.499 2.454 10 0 EEAERP CC[C@H](C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1)OC ZINC001440692627 1093944930 /nfs/dbraw/zinc/94/49/30/1093944930.db2.gz VYFJAQNZGFSZQQ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001440759699 1094002384 /nfs/dbraw/zinc/00/23/84/1094002384.db2.gz SMFHCPZOGFNFCD-WLYUNCDWSA-N 2 0 343.462 2.391 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001449011479 1094012189 /nfs/dbraw/zinc/01/21/89/1094012189.db2.gz JFRAKSHLEWAPNE-QUCCMNQESA-N 2 0 344.503 2.343 10 0 EEAERP CC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001449028502 1094036042 /nfs/dbraw/zinc/03/60/42/1094036042.db2.gz KPSXJXWWSBFASY-MOPGFXCFSA-N 2 0 329.488 2.055 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001440835154 1094088279 /nfs/dbraw/zinc/08/82/79/1094088279.db2.gz MDYFKRUSOGNUSX-QWHCGFSZSA-N 2 0 327.419 2.289 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1c(C)nsc1C ZINC001440844730 1094102792 /nfs/dbraw/zinc/10/27/92/1094102792.db2.gz DOUQHGWFKVLKLF-NWDGAFQWSA-N 2 0 326.510 2.085 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001449260357 1094209836 /nfs/dbraw/zinc/20/98/36/1094209836.db2.gz KLSHVOPLDUSICW-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP COc1cc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CC[C@H](C)C2)ccc1C ZINC001440965846 1094223415 /nfs/dbraw/zinc/22/34/15/1094223415.db2.gz CRNRHSOSRKNIKF-DOTOQJQBSA-N 2 0 347.503 2.282 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]2CC[NH+](C)C2)ccc1C ZINC001440993362 1094260689 /nfs/dbraw/zinc/26/06/89/1094260689.db2.gz CHFKZVZXKUVLPD-FUHWJXTLSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1ncoc1CN(C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441040407 1094335396 /nfs/dbraw/zinc/33/53/96/1094335396.db2.gz VLSQKMJEEWAYMC-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1COCCN1C1CCCC1)C(C)C ZINC001441083653 1094377999 /nfs/dbraw/zinc/37/79/99/1094377999.db2.gz REBYHQHNJSRJKY-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001441095628 1094395748 /nfs/dbraw/zinc/39/57/48/1094395748.db2.gz FMGKKLDAPDWTED-MSOLQXFVSA-N 2 0 335.467 2.365 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](CC3CC(F)(F)C3)CC2(C)C)CC1 ZINC001441244705 1094632265 /nfs/dbraw/zinc/63/22/65/1094632265.db2.gz BPCJTESHBMZRHR-AWEZNQCLSA-N 2 0 343.462 2.200 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)cc2)CC1(C)C ZINC001441268302 1094677815 /nfs/dbraw/zinc/67/78/15/1094677815.db2.gz YVZQRRNFODALPI-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001441333502 1094798760 /nfs/dbraw/zinc/79/87/60/1094798760.db2.gz AMSAIYQFFKKJGV-UHFFFAOYSA-N 2 0 329.488 2.451 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCF)CC[C@H]21 ZINC001441478227 1095147145 /nfs/dbraw/zinc/14/71/45/1095147145.db2.gz OLXLIVAMUJBCQI-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001441511790 1095204219 /nfs/dbraw/zinc/20/42/19/1095204219.db2.gz MFRNTNIAFBKISF-LPHOPBHVSA-N 2 0 331.504 2.322 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001441585872 1095403954 /nfs/dbraw/zinc/40/39/54/1095403954.db2.gz LRQVNNMTYBFRDJ-GDBMZVCRSA-N 2 0 336.480 2.182 10 0 EEAERP Cc1conc1CN1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001441597903 1095439670 /nfs/dbraw/zinc/43/96/70/1095439670.db2.gz SVFZEDFOLGPGCV-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441833584 1095897571 /nfs/dbraw/zinc/89/75/71/1095897571.db2.gz XEUINDYZPURQAB-QGPMSJSTSA-N 2 0 346.519 2.448 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCOC1CCC1)CC2)[NH+](C)C ZINC001441857341 1095953224 /nfs/dbraw/zinc/95/32/24/1095953224.db2.gz HAIFXUJJGWCEFV-AOIWGVFYSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)on1 ZINC001441867109 1095977971 /nfs/dbraw/zinc/97/79/71/1095977971.db2.gz GXPWJPMKXYTCPT-AWEZNQCLSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001441872421 1095989608 /nfs/dbraw/zinc/98/96/08/1095989608.db2.gz VTMZODCWEZMXFV-NVXWUHKLSA-N 2 0 349.523 2.107 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001441893607 1096036213 /nfs/dbraw/zinc/03/62/13/1096036213.db2.gz DLVOGWXVBLDCNB-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001442127579 1096366402 /nfs/dbraw/zinc/36/64/02/1096366402.db2.gz VUBJPLORVGDYME-ROUUACIJSA-N 2 0 341.540 2.455 10 0 EEAERP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001442221309 1096515745 /nfs/dbraw/zinc/51/57/45/1096515745.db2.gz MAIRXXNBFDVHDX-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ncc(C)s2)CC[N@@H+]1C ZINC001442255504 1096556395 /nfs/dbraw/zinc/55/63/95/1096556395.db2.gz LQKHJYJOCCPBBW-VHDGCEQUSA-N 2 0 338.521 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001442293844 1096609908 /nfs/dbraw/zinc/60/99/08/1096609908.db2.gz MYINKBFWRZMQNT-ZWKOTPCHSA-N 2 0 346.519 2.496 10 0 EEAERP C[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CCc1ccccc1 ZINC001442521684 1096878113 /nfs/dbraw/zinc/87/81/13/1096878113.db2.gz RNOVFBZILOQLEO-FQEVSTJZSA-N 2 0 349.494 2.490 10 0 EEAERP CN(CCNC(=O)c1cccc(C[NH+](C)C)c1)Cc1cncs1 ZINC001442599903 1096970464 /nfs/dbraw/zinc/97/04/64/1096970464.db2.gz BQZKVWINQZEZFN-UHFFFAOYSA-N 2 0 332.473 2.067 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001442750167 1097126835 /nfs/dbraw/zinc/12/68/35/1097126835.db2.gz JSXPZOAEWCDKKA-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(O)c1 ZINC001442928303 1097337638 /nfs/dbraw/zinc/33/76/38/1097337638.db2.gz YQHFDUHOAWVWCP-HNNXBMFYSA-N 2 0 337.439 2.019 10 0 EEAERP Cc1cc(C[N@H+](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)cs1 ZINC001442995361 1097414679 /nfs/dbraw/zinc/41/46/79/1097414679.db2.gz NUZPCIGYEGAUOD-SFHVURJKSA-N 2 0 347.528 2.479 10 0 EEAERP Cc1ncc(CN(CCNC(=O)C23CCC[NH+]2CCC3)C2CC2)s1 ZINC001443023842 1097431264 /nfs/dbraw/zinc/43/12/64/1097431264.db2.gz AYJMYKPBZQABCK-UHFFFAOYSA-N 2 0 348.516 2.161 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cnccn2)CC1 ZINC001443131505 1097556764 /nfs/dbraw/zinc/55/67/64/1097556764.db2.gz BLPWTTWRBMDZCQ-HZPDHXFCSA-N 2 0 347.507 2.095 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001443213296 1097667561 /nfs/dbraw/zinc/66/75/61/1097667561.db2.gz AIMHUPCIKSAMIH-ZIFCJYIRSA-N 2 0 344.503 2.058 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1OC1CC1 ZINC001444031029 1098550066 /nfs/dbraw/zinc/55/00/66/1098550066.db2.gz DGRDPTAXLWCOSM-DLBZAZTESA-N 2 0 345.487 2.164 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001444032310 1098552055 /nfs/dbraw/zinc/55/20/55/1098552055.db2.gz JAGWKUKOWONIRY-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001479526121 1098592554 /nfs/dbraw/zinc/59/25/54/1098592554.db2.gz PGKXZTOTZSCVCE-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC[NH2+]CC1CCC1 ZINC001479526622 1098593367 /nfs/dbraw/zinc/59/33/67/1098593367.db2.gz GGUFVVOFKFJFID-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001444150048 1098691001 /nfs/dbraw/zinc/69/10/01/1098691001.db2.gz XALVTYWOBXQUNA-INIZCTEOSA-N 2 0 347.507 2.096 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001479674445 1098725042 /nfs/dbraw/zinc/72/50/42/1098725042.db2.gz CWTAZSQGRWXSAG-CVEARBPZSA-N 2 0 343.462 2.152 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001479689621 1098751017 /nfs/dbraw/zinc/75/10/17/1098751017.db2.gz RWKVVBMPBHCOQA-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001479691743 1098754542 /nfs/dbraw/zinc/75/45/42/1098754542.db2.gz LDSAMLXMNUBZIK-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001479739881 1098856739 /nfs/dbraw/zinc/85/67/39/1098856739.db2.gz PJKZXLDEUNLNQF-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001479757129 1098910430 /nfs/dbraw/zinc/91/04/30/1098910430.db2.gz JOSVOMVSXXCMHI-VQIMIIECSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2cc(C)no2)C1 ZINC001479792213 1099000611 /nfs/dbraw/zinc/00/06/11/1099000611.db2.gz YMRCLVQGVYSXOS-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1cccc(C)c1OCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001479812494 1099076604 /nfs/dbraw/zinc/07/66/04/1099076604.db2.gz NMIADRYOKIRKFU-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cnc(C)o1 ZINC001479843643 1099135520 /nfs/dbraw/zinc/13/55/20/1099135520.db2.gz HYTZEJZEKHNVBC-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ocnc2C)CCCC1 ZINC001444504214 1099237934 /nfs/dbraw/zinc/23/79/34/1099237934.db2.gz WYPFQKSARCKQGS-MRXNPFEDSA-N 2 0 348.491 2.376 10 0 EEAERP CC[C@@H](F)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC2 ZINC001444565212 1099371869 /nfs/dbraw/zinc/37/18/69/1099371869.db2.gz CUGLQEZPYQPQNQ-CVEARBPZSA-N 2 0 345.478 2.339 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001444707472 1099565925 /nfs/dbraw/zinc/56/59/25/1099565925.db2.gz LIOQKRDVTYAAJB-QGZVFWFLSA-N 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O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001480368349 1100143753 /nfs/dbraw/zinc/14/37/53/1100143753.db2.gz YOYJJMIOMKOUGA-SFHVURJKSA-N 2 0 347.478 2.435 10 0 EEAERP Cc1nccnc1C[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001480410663 1100227242 /nfs/dbraw/zinc/22/72/42/1100227242.db2.gz RONDDTMXPUWBCQ-UHFFFAOYSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001480528115 1100359230 /nfs/dbraw/zinc/35/92/30/1100359230.db2.gz URRZCPWMZOSOBD-SJKOYZFVSA-N 2 0 339.430 2.388 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CCCCC2)o1 ZINC001496323859 1100918594 /nfs/dbraw/zinc/91/85/94/1100918594.db2.gz BWGGKXDNQQZHOP-GOSISDBHSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001446553985 1101028504 /nfs/dbraw/zinc/02/85/04/1101028504.db2.gz CYPVSFAQJZKBNR-NVXWUHKLSA-N 2 0 343.462 2.488 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001495429895 1101148156 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ZINC001497620215 1102760339 /nfs/dbraw/zinc/76/03/39/1102760339.db2.gz IQDQBAYIKXQLPK-VZSQWMKGSA-N 2 0 344.503 2.272 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497622333 1102765159 /nfs/dbraw/zinc/76/51/59/1102765159.db2.gz ZMPVMNWQSRBEOC-FPLPWBNLSA-N 2 0 348.491 2.398 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497905971 1103293986 /nfs/dbraw/zinc/29/39/86/1103293986.db2.gz VIBZIHPNAJJOMO-FUHIMQAGSA-N 2 0 345.531 2.472 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001447785197 1103336906 /nfs/dbraw/zinc/33/69/06/1103336906.db2.gz VLCREUVBMPGIBP-WBVHZDCISA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494029784 1103386541 /nfs/dbraw/zinc/38/65/41/1103386541.db2.gz MSIGVQRHUSGLOO-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001494157770 1103619306 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339.430 2.387 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493269119 1107818119 /nfs/dbraw/zinc/81/81/19/1107818119.db2.gz XHZGWIUXBSSGRC-SJLPKXTDSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC001498816648 1108157811 /nfs/dbraw/zinc/15/78/11/1108157811.db2.gz IDCLJKGNZKZBLT-OXQOHEQNSA-N 2 0 343.515 2.228 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc4c[nH+]cn4c3)cc2)CC1 ZINC001456451145 1109180110 /nfs/dbraw/zinc/18/01/10/1109180110.db2.gz ZVAVTRISTQSRTL-UHFFFAOYSA-N 2 0 349.438 2.334 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC[C@H]1CCc2ccccc21 ZINC001457657697 1109717559 /nfs/dbraw/zinc/71/75/59/1109717559.db2.gz IOCCRAFGLZGPSK-GOSISDBHSA-N 2 0 331.504 2.448 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC[NH+]1CCCCCC1 ZINC001460416242 1110278094 /nfs/dbraw/zinc/27/80/94/1110278094.db2.gz LMDQBOGQESSOAU-WMZOPIPTSA-N 2 0 346.523 2.135 10 0 EEAERP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001472116706 1110544031 /nfs/dbraw/zinc/54/40/31/1110544031.db2.gz UELKQCMPMVTYFV-AEFFLSMTSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001479380409 1110688767 /nfs/dbraw/zinc/68/87/67/1110688767.db2.gz KKLKDOOHUDCWAE-KKUMJFAQSA-N 2 0 345.422 2.113 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001499511790 1112331071 /nfs/dbraw/zinc/33/10/71/1112331071.db2.gz VTHIRJNGNYTLJW-XHSDSOJGSA-N 2 0 325.472 2.142 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)c(C)o1 ZINC001499858066 1112516772 /nfs/dbraw/zinc/51/67/72/1112516772.db2.gz QUXKANVVWDIQCI-XJKSGUPXSA-N 2 0 336.480 2.101 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCc3ccsc3)C2)C1 ZINC001500401452 1112803668 /nfs/dbraw/zinc/80/36/68/1112803668.db2.gz FTZMKFMOJQCTRL-MJGOQNOKSA-N 2 0 349.544 2.461 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC3CC4(CCC4)C3)C[C@@H]2C1 ZINC001501240436 1113257964 /nfs/dbraw/zinc/25/79/64/1113257964.db2.gz NLDKDNFGIPQREO-HDICACEKSA-N 2 0 333.520 2.299 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001501240666 1113258200 /nfs/dbraw/zinc/25/82/00/1113258200.db2.gz QNIASHJURNYHKH-WSTZPKSXSA-N 2 0 341.499 2.406 10 0 EEAERP CO[C@H](C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001501662820 1113421277 /nfs/dbraw/zinc/42/12/77/1113421277.db2.gz HGTYTTHPFZGFSZ-GPMSIDNRSA-N 2 0 347.503 2.110 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001501694139 1113438102 /nfs/dbraw/zinc/43/81/02/1113438102.db2.gz ISWNDCCOUAHCFK-ULQDDVLXSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CCC2)CC1 ZINC001501995012 1113551263 /nfs/dbraw/zinc/55/12/63/1113551263.db2.gz SEURXCWPGNXADG-IXDOHACOSA-N 2 0 333.520 2.393 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001502138647 1113612315 /nfs/dbraw/zinc/61/23/15/1113612315.db2.gz WLGCTAVJJFZGNR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001502147252 1113616276 /nfs/dbraw/zinc/61/62/76/1113616276.db2.gz FNNHXSGFKWSRMQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001502800781 1113804041 /nfs/dbraw/zinc/80/40/41/1113804041.db2.gz VGEONDRGQMFEAI-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001505411470 1113945479 /nfs/dbraw/zinc/94/54/79/1113945479.db2.gz HMEBFQJHUXKSFH-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505606619 1114081647 /nfs/dbraw/zinc/08/16/47/1114081647.db2.gz UXWBJQPOGPLGQM-HOTGVXAUSA-N 2 0 327.513 2.159 10 0 EEAERP COc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001505621014 1114089579 /nfs/dbraw/zinc/08/95/79/1114089579.db2.gz BRXUAAMXAVVNJT-HZPDHXFCSA-N 2 0 347.503 2.471 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001505707663 1114142666 /nfs/dbraw/zinc/14/26/66/1114142666.db2.gz WTTCKMRNAWHTRO-UONOGXRCSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001505733435 1114157869 /nfs/dbraw/zinc/15/78/69/1114157869.db2.gz SVDAZXMPZTWJDO-HUUCEWRRSA-N 2 0 333.451 2.213 10 0 EEAERP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505820479 1114213616 /nfs/dbraw/zinc/21/36/16/1114213616.db2.gz UUGQCZKAUPQRRW-HNNXBMFYSA-N 2 0 341.540 2.094 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC(F)(F)CC1 ZINC001505887437 1114254541 /nfs/dbraw/zinc/25/45/41/1114254541.db2.gz QFCYBMNIYFKTMI-ZFWWWQNUSA-N 2 0 331.451 2.343 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001506829743 1114899687 /nfs/dbraw/zinc/89/96/87/1114899687.db2.gz NCERTIVUQQFUMJ-OWZKRDHZSA-N 2 0 341.499 2.357 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001506904561 1114962950 /nfs/dbraw/zinc/96/29/50/1114962950.db2.gz GKVYQMXRTRENET-QAQDUYKDSA-N 2 0 348.491 2.234 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC001506906343 1114963316 /nfs/dbraw/zinc/96/33/16/1114963316.db2.gz QTERHJCNOBURLQ-AAVRWANBSA-N 2 0 348.318 2.006 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2coc(C)n2)CC[N@@H+]1C ZINC001506920549 1114974240 /nfs/dbraw/zinc/97/42/40/1114974240.db2.gz ADQJNXGDPGFZQS-XOKHGSTOSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001506923093 1114976136 /nfs/dbraw/zinc/97/61/36/1114976136.db2.gz PPTFJCMDXJNKFE-JGGQBBKZSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001506923050 1114976453 /nfs/dbraw/zinc/97/64/53/1114976453.db2.gz PBAMKUPJLGKWHK-DOTOQJQBSA-N 2 0 336.480 2.230 10 0 EEAERP CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001506971186 1115021327 /nfs/dbraw/zinc/02/13/27/1115021327.db2.gz FNPZEYCXSBARLZ-UHFFFAOYSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001507092348 1115103845 /nfs/dbraw/zinc/10/38/45/1115103845.db2.gz ISLRLCNLGUOKII-DGCLKSJQSA-N 2 0 344.912 2.217 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001507095201 1115105325 /nfs/dbraw/zinc/10/53/25/1115105325.db2.gz KFQACAJQGIOTRT-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001507127865 1115122616 /nfs/dbraw/zinc/12/26/16/1115122616.db2.gz RZIOCCOTKRNOKR-CVEARBPZSA-N 2 0 349.523 2.260 10 0 EEAERP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CC1=CCCCC1 ZINC001507136765 1115128006 /nfs/dbraw/zinc/12/80/06/1115128006.db2.gz CQPMHNHYBPPJCD-MRXNPFEDSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001507293817 1115177936 /nfs/dbraw/zinc/17/79/36/1115177936.db2.gz VVQDRKVUGNVHQR-AEFFLSMTSA-N 2 0 349.523 2.275 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]32)co1 ZINC001507361676 1115222454 /nfs/dbraw/zinc/22/24/54/1115222454.db2.gz NHIJUOVUSSZUKD-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP COCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001507447812 1115274879 /nfs/dbraw/zinc/27/48/79/1115274879.db2.gz CJWZZNIVCRQXJC-GOSISDBHSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507451775 1115277106 /nfs/dbraw/zinc/27/71/06/1115277106.db2.gz ZITQBHUVWXLKSO-IRXDYDNUSA-N 2 0 341.540 2.072 10 0 EEAERP CN(CCc1ccccc1)CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001546335185 1118608546 /nfs/dbraw/zinc/60/85/46/1118608546.db2.gz NZXIRXQOYOFOIH-UHFFFAOYSA-N 2 0 335.411 2.380 10 0 EEAERP CC(C)OCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001568043130 1124247190 /nfs/dbraw/zinc/24/71/90/1124247190.db2.gz FNTHOQPXNGQCPG-IEBWSBKVSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ncccc2C)C1 ZINC001568071832 1124276711 /nfs/dbraw/zinc/27/67/11/1124276711.db2.gz CXJUWCRJBMTQLZ-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568630802 1124645851 /nfs/dbraw/zinc/64/58/51/1124645851.db2.gz KMENWUSGWVNKBD-HIFRSBDPSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568633142 1124647666 /nfs/dbraw/zinc/64/76/66/1124647666.db2.gz YMDDSMREXAGEAP-HNNXBMFYSA-N 2 0 336.480 2.232 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568952253 1124987249 /nfs/dbraw/zinc/98/72/49/1124987249.db2.gz VXMFAKISUQFBCU-KYVUIXNKSA-N 2 0 340.471 2.272 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001568964230 1124999410 /nfs/dbraw/zinc/99/94/10/1124999410.db2.gz PJAWXWOYJDLPLB-YWWBLUBBSA-N 2 0 331.435 2.027 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001569019526 1125046383 /nfs/dbraw/zinc/04/63/83/1125046383.db2.gz ZTPNEWBHNXJLHX-FUHWJXTLSA-N 2 0 347.503 2.118 10 0 EEAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569233966 1125183599 /nfs/dbraw/zinc/18/35/99/1125183599.db2.gz YXDQBLYMWAGGMF-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422984921 536850416 /nfs/dbraw/zinc/85/04/16/536850416.db2.gz ZRSIJBMNZBNQIC-AWEZNQCLSA-N 2 0 338.839 2.276 10 0 EEAERP c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070536 539817161 /nfs/dbraw/zinc/81/71/61/539817161.db2.gz ZLZOFTYRPXGQDD-UXHICEINSA-N 2 0 329.488 2.235 10 0 EEAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000369540449 283161500 /nfs/dbraw/zinc/16/15/00/283161500.db2.gz JGNPZDGCNMVUFR-CPFNUKBASA-N 2 0 334.508 2.129 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069740499 202290610 /nfs/dbraw/zinc/29/06/10/202290610.db2.gz HVUPOJOCNCOXOH-ROUUACIJSA-N 2 0 345.487 2.326 10 0 EEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000071188485 202341355 /nfs/dbraw/zinc/34/13/55/202341355.db2.gz DABGUXWKYBFYGH-ABAIWWIYSA-N 2 0 344.272 2.472 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+]1C ZINC000415954903 239019142 /nfs/dbraw/zinc/01/91/42/239019142.db2.gz LEQXSLHUFIWIBZ-JSGCOSHPSA-N 2 0 334.439 2.418 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000097406518 201385175 /nfs/dbraw/zinc/38/51/75/201385175.db2.gz BLDMZWSHRUXBEB-KRWDZBQOSA-N 2 0 326.529 2.384 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2csc(CC)n2)CC[NH2+]CC1 ZINC000422882032 240274131 /nfs/dbraw/zinc/27/41/31/240274131.db2.gz AARXXJMVYXVMKJ-LBPRGKRZSA-N 2 0 325.478 2.117 10 0 EEAERP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCC[N@H+](C)CC1 ZINC000043020188 204198831 /nfs/dbraw/zinc/19/88/31/204198831.db2.gz HIUILIZQNJLJAY-WFASDCNBSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@H](Cc1ccccc1)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000132248296 205318263 /nfs/dbraw/zinc/31/82/63/205318263.db2.gz OEAUJWGBXIIVIF-QGZVFWFLSA-N 2 0 331.504 2.255 10 0 EEAERP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000190924178 256004166 /nfs/dbraw/zinc/00/41/66/256004166.db2.gz LHXZRBWJUNWVAY-LRYGQEGESA-N 2 0 340.508 2.135 10 0 EEAERP COC1(C[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC1 ZINC000277022660 256490539 /nfs/dbraw/zinc/49/05/39/256490539.db2.gz DKKGOPPQFNNLOG-MRXNPFEDSA-N 2 0 347.503 2.415 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000267207523 285382149 /nfs/dbraw/zinc/38/21/49/285382149.db2.gz GWKDRMBOGDJHGP-NSHGMRRFSA-N 2 0 331.504 2.380 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000078373238 292191801 /nfs/dbraw/zinc/19/18/01/292191801.db2.gz VRVBQYRHDSLCMY-UHFFFAOYSA-N 2 0 333.476 2.233 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119608210 292246702 /nfs/dbraw/zinc/24/67/02/292246702.db2.gz TUJUPVBRQJZVMB-LJQANCHMSA-N 2 0 332.492 2.244 10 0 EEAERP CS[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000425355414 286697749 /nfs/dbraw/zinc/69/77/49/286697749.db2.gz OQTUNPXPWMFFMQ-LSDHHAIUSA-N 2 0 327.538 2.097 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000078541265 159120403 /nfs/dbraw/zinc/12/04/03/159120403.db2.gz BENLGRSUUMOPAV-SJLPKXTDSA-N 2 0 334.508 2.189 10 0 EEAERP CC(C)[C@H](NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(F)cc1 ZINC000193634114 160184698 /nfs/dbraw/zinc/18/46/98/160184698.db2.gz ZICHCDJIVWAYAC-FCEWJHQRSA-N 2 0 333.451 2.132 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000246386507 160276631 /nfs/dbraw/zinc/27/66/31/160276631.db2.gz KGOMRLXNTDJDAM-QRQLOZEOSA-N 2 0 346.519 2.187 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246486805 160281095 /nfs/dbraw/zinc/28/10/95/160281095.db2.gz WBDKEYNAYDDMDZ-OOKSDGMUSA-N 2 0 336.524 2.421 10 0 EEAERP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000359000956 164033182 /nfs/dbraw/zinc/03/31/82/164033182.db2.gz LJFIGFDICDDBKZ-LJQANCHMSA-N 2 0 326.444 2.032 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1cccnc1 ZINC000359929012 164198679 /nfs/dbraw/zinc/19/86/79/164198679.db2.gz CGAUVKYHOLSCOR-IEBWSBKVSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000368124428 166055186 /nfs/dbraw/zinc/05/51/86/166055186.db2.gz RKFIKWCAEMLQSG-HNNXBMFYSA-N 2 0 337.427 2.148 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)C2CC[NH+](C)CC2)CC1 ZINC000369945715 166362864 /nfs/dbraw/zinc/36/28/64/166362864.db2.gz ZPQAPTCECGDJTN-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CNCCC[NH2+]C2CC2)CC1 ZINC000415073277 276263109 /nfs/dbraw/zinc/26/31/09/276263109.db2.gz YDSGJFUPVQNXHO-UHFFFAOYSA-N 2 0 330.520 2.450 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246398706 277395732 /nfs/dbraw/zinc/39/57/32/277395732.db2.gz JYOPXSXLOBJBLR-KURKYZTESA-N 2 0 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343.471 2.338 10 0 EEAERP CO[C@H](C)C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828323 465176835 /nfs/dbraw/zinc/17/68/35/465176835.db2.gz BAWTUMKHOAGJNG-SJLPKXTDSA-N 2 0 335.492 2.151 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000048216589 462874696 /nfs/dbraw/zinc/87/46/96/462874696.db2.gz DYMCFGMAXCMGHP-GOSISDBHSA-N 2 0 330.476 2.215 10 0 EEAERP Cc1ccc2ncc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)n2c1 ZINC000121155318 463089151 /nfs/dbraw/zinc/08/91/51/463089151.db2.gz UTKOHTMZYKUNEO-INIZCTEOSA-N 2 0 330.476 2.167 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079620540 463235692 /nfs/dbraw/zinc/23/56/92/463235692.db2.gz YQYSSTDUCQATME-KRWDZBQOSA-N 2 0 326.529 2.336 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000079653712 463237572 /nfs/dbraw/zinc/23/75/72/463237572.db2.gz TXJOCUAPTFLZBG-WMLDXEAASA-N 2 0 338.471 2.458 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000069432094 463245715 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EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000246294939 464568160 /nfs/dbraw/zinc/56/81/60/464568160.db2.gz LDJWHTPAGOQRTH-KBAYOESNSA-N 2 0 344.503 2.084 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COCc2cccs2)[C@@H](C)C1 ZINC000246436636 464585525 /nfs/dbraw/zinc/58/55/25/464585525.db2.gz CXHOFZQDBHIZDB-ZOBUZTSGSA-N 2 0 326.506 2.288 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246455260 464587233 /nfs/dbraw/zinc/58/72/33/464587233.db2.gz OUHTXYLBXSBXHY-MHORFTMASA-N 2 0 338.540 2.479 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182367491 464636355 /nfs/dbraw/zinc/63/63/55/464636355.db2.gz JZSDKFGHHUEWPV-LEWJYISDSA-N 2 0 345.531 2.082 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000247657916 464700044 /nfs/dbraw/zinc/70/00/44/464700044.db2.gz YXZFEWGTVCVZSG-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266753653 464809625 /nfs/dbraw/zinc/80/96/25/464809625.db2.gz OPIBXNNPSFLQES-UHFFFAOYSA-N 2 0 342.443 2.256 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000248903953 464819131 /nfs/dbraw/zinc/81/91/31/464819131.db2.gz UQPLWDVLEFDOAK-FUHWJXTLSA-N 2 0 332.492 2.100 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000348929904 465879515 /nfs/dbraw/zinc/87/95/15/465879515.db2.gz GOAFGSDNSIMLRE-UHFFFAOYSA-N 2 0 327.472 2.178 10 0 EEAERP COc1ccc(CCNC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000366869686 465984520 /nfs/dbraw/zinc/98/45/20/465984520.db2.gz CANANWOGJJHWBS-UHFFFAOYSA-N 2 0 330.476 2.369 10 0 EEAERP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347256752 466514991 /nfs/dbraw/zinc/51/49/91/466514991.db2.gz WUHUWEGCZBOUEI-ROUUACIJSA-N 2 0 347.503 2.365 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000569500898 468501776 /nfs/dbraw/zinc/50/17/76/468501776.db2.gz BRGGRYXSABNZQC-PMPSAXMXSA-N 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ZINC000417922387 466986463 /nfs/dbraw/zinc/98/64/63/466986463.db2.gz IWSJECHRUUPCCD-UHFFFAOYSA-N 2 0 344.503 2.294 10 0 EEAERP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417930746 466989938 /nfs/dbraw/zinc/98/99/38/466989938.db2.gz BEYSKIWJKQOKMY-SQNIBIBYSA-N 2 0 330.476 2.215 10 0 EEAERP C[C@H](CCNC(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCCCC1 ZINC000418018915 467024192 /nfs/dbraw/zinc/02/41/92/467024192.db2.gz JPIPHVJEXZHUJC-GOSISDBHSA-N 2 0 346.519 2.464 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418162886 467063145 /nfs/dbraw/zinc/06/31/45/467063145.db2.gz DDRISWNZCRXVPE-YSHGAJCASA-N 2 0 344.503 2.319 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418182325 467068456 /nfs/dbraw/zinc/06/84/56/467068456.db2.gz MKSYTBQQEXUPMB-RANZSIQMSA-N 2 0 330.476 2.071 10 0 EEAERP [NH3+]CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418319326 467091834 /nfs/dbraw/zinc/09/18/34/467091834.db2.gz ANWLPZLAFFJQLI-ZWKOTPCHSA-N 2 0 330.476 2.031 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418700232 467147433 /nfs/dbraw/zinc/14/74/33/467147433.db2.gz FJXVSYLAYKPJFJ-SJORKVTESA-N 2 0 344.503 2.420 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418785640 467158382 /nfs/dbraw/zinc/15/83/82/467158382.db2.gz HLAOENXDZHNHJY-RCCFBDPRSA-N 2 0 336.524 2.138 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@]3(C)CCCO3)cn2)CC1 ZINC000428219251 467214284 /nfs/dbraw/zinc/21/42/84/467214284.db2.gz LSOGQWSTMNKMMM-QFBILLFUSA-N 2 0 332.492 2.271 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378906328 467368554 /nfs/dbraw/zinc/36/85/54/467368554.db2.gz LOEPUUHUEKRCCL-QYZOEREBSA-N 2 0 329.488 2.390 10 0 EEAERP C[C@]1(CNC[C@H](O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397901261 467444785 /nfs/dbraw/zinc/44/47/85/467444785.db2.gz SPHSOKAOFKPQTR-VQTJNVASSA-N 2 0 331.504 2.087 10 0 EEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000404426041 467474194 /nfs/dbraw/zinc/47/41/94/467474194.db2.gz LTTMECRTBZJKQV-IMBTUZDBSA-N 2 0 329.488 2.496 10 0 EEAERP CCO[C@@H]1CN(Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000405328500 467480849 /nfs/dbraw/zinc/48/08/49/467480849.db2.gz FCPFMVDFYIYXOC-BXUZGUMPSA-N 2 0 331.229 2.384 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC000449300343 467629124 /nfs/dbraw/zinc/62/91/24/467629124.db2.gz OGRQBMNZKBLMMK-RLLQIKCJSA-N 2 0 346.515 2.317 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)[C@H]2CCOC2)CC1 ZINC000449300344 467629175 /nfs/dbraw/zinc/62/91/75/467629175.db2.gz OGRQBMNZKBLMMK-YZGWKJHDSA-N 2 0 346.515 2.317 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000457915014 467728701 /nfs/dbraw/zinc/72/87/01/467728701.db2.gz QNMBRZBUIGOMLD-RBUKOAKNSA-N 2 0 346.519 2.283 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458458321 467838791 /nfs/dbraw/zinc/83/87/91/467838791.db2.gz NADZXAFRSPYPST-LJQANCHMSA-N 2 0 336.524 2.236 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)o1 ZINC000529302256 467842545 /nfs/dbraw/zinc/84/25/45/467842545.db2.gz JFXYJFSXHSPNPJ-DOTOQJQBSA-N 2 0 346.475 2.309 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C)C1 ZINC000459612042 467962246 /nfs/dbraw/zinc/96/22/46/467962246.db2.gz LWBNMBONSDQSHV-LMMKCTJWSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514938363 467964604 /nfs/dbraw/zinc/96/46/04/467964604.db2.gz GNXGQJHNQQYCIN-JXXFODFXSA-N 2 0 327.472 2.428 10 0 EEAERP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC1CCCC1 ZINC000571910748 468857395 /nfs/dbraw/zinc/85/73/95/468857395.db2.gz WPIUUOHZSQRZDV-WOJBJXKFSA-N 2 0 332.488 2.284 10 0 EEAERP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000595658657 468942105 /nfs/dbraw/zinc/94/21/05/468942105.db2.gz GTZDZUUNFMRPNA-ZWKOTPCHSA-N 2 0 332.444 2.093 10 0 EEAERP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115139 469174204 /nfs/dbraw/zinc/17/42/04/469174204.db2.gz MJMHQUOQOKNTAA-CVEARBPZSA-N 2 0 337.414 2.012 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[NH2+]1 ZINC000625859440 469413537 /nfs/dbraw/zinc/41/35/37/469413537.db2.gz PVCHNUAVMIMJKF-GDBMZVCRSA-N 2 0 334.464 2.279 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000629569088 469583004 /nfs/dbraw/zinc/58/30/04/469583004.db2.gz NZMINNJXAJAXBC-UHFFFAOYSA-N 2 0 348.274 2.490 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@@]2(CO)CCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623421242 469651722 /nfs/dbraw/zinc/65/17/22/469651722.db2.gz CXULOMVKNKWWEQ-FPOVZHCZSA-N 2 0 345.531 2.476 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1(C)C ZINC000623430540 469655388 /nfs/dbraw/zinc/65/53/88/469655388.db2.gz WNZRPRJKUJVFCI-IRXDYDNUSA-N 2 0 345.487 2.129 10 0 EEAERP CC(C)[C@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607241299 469677897 /nfs/dbraw/zinc/67/78/97/469677897.db2.gz IEZUGURGUISNLC-IAGOWNOFSA-N 2 0 326.529 2.336 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000626924556 469756737 /nfs/dbraw/zinc/75/67/37/469756737.db2.gz BEIOKGTUQXXTFQ-ZWKOTPCHSA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000626995369 469781412 /nfs/dbraw/zinc/78/14/12/469781412.db2.gz SVOVNSBJBYDCBJ-CWLKWCNXSA-N 2 0 330.476 2.089 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000626994815 469781843 /nfs/dbraw/zinc/78/18/43/469781843.db2.gz KIETVAQPOMWMAM-DSLXNQLJSA-N 2 0 344.503 2.479 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000623916329 469795905 /nfs/dbraw/zinc/79/59/05/469795905.db2.gz LZVBJKDIZICVBR-QAPCUYQASA-N 2 0 333.476 2.025 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000627039470 469799234 /nfs/dbraw/zinc/79/92/34/469799234.db2.gz XVORMNZPAYGLNM-BZZMCLGOSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@H](C[NH3+])CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627081780 469808763 /nfs/dbraw/zinc/80/87/63/469808763.db2.gz TXEGRYAAQARRMQ-YGRLFVJLSA-N 2 0 347.290 2.490 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627200715 469842986 /nfs/dbraw/zinc/84/29/86/469842986.db2.gz UAVUEILSVQTWSV-NEWSRXKRSA-N 2 0 344.503 2.433 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627242263 469854330 /nfs/dbraw/zinc/85/43/30/469854330.db2.gz PCVRUXVNQXLLIB-RYQLBKOJSA-N 2 0 330.476 2.043 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631217593 470095604 /nfs/dbraw/zinc/09/56/04/470095604.db2.gz WAORHJZTHGAGJJ-QGZVFWFLSA-N 2 0 341.446 2.324 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H](C)c3cccnc3)CC2)CC[N@@H+]1C ZINC000631308786 470116420 /nfs/dbraw/zinc/11/64/20/470116420.db2.gz HIQABSOPQZMLJY-BPQIPLTHSA-N 2 0 330.476 2.017 10 0 EEAERP C[NH+](C)C1CC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000622009254 470147702 /nfs/dbraw/zinc/14/77/02/470147702.db2.gz OURFLDITSVSODC-UHFFFAOYSA-N 2 0 329.488 2.498 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634746265 470291154 /nfs/dbraw/zinc/29/11/54/470291154.db2.gz MVWGVFFYGUDLSS-KDURUIRLSA-N 2 0 329.488 2.297 10 0 EEAERP Cc1ccccc1C1([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000645979534 470481493 /nfs/dbraw/zinc/48/14/93/470481493.db2.gz QCWWIVNVRDINDJ-UHFFFAOYSA-N 2 0 327.472 2.317 10 0 EEAERP C(=C/C[NH2+][C@@H]1CCCn2nccc21)\C[NH2+][C@@H]1CCCn2nccc21 ZINC000640221268 470828261 /nfs/dbraw/zinc/82/82/61/470828261.db2.gz VTPGASRKIRBQOW-PKUCDIRRSA-N 2 0 326.448 2.185 10 0 EEAERP CNC(=O)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1C ZINC000647313075 470880799 /nfs/dbraw/zinc/88/07/99/470880799.db2.gz KEPBJUYRIBMHPE-MAUKXSAKSA-N 2 0 349.494 2.359 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638103137 470966023 /nfs/dbraw/zinc/96/60/23/470966023.db2.gz YXZVSLVGFKFMOE-UHFFFAOYSA-N 2 0 329.488 2.357 10 0 EEAERP c1cc(C[NH2+]CCc2ccc3c(c2)OCCO3)n(-c2cc[nH+]cc2)n1 ZINC000657291209 471085799 /nfs/dbraw/zinc/08/57/99/471085799.db2.gz YBOVFSNNQAXDIH-UHFFFAOYSA-N 2 0 336.395 2.371 10 0 EEAERP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)CO1 ZINC000657314064 471094606 /nfs/dbraw/zinc/09/46/06/471094606.db2.gz ZVHGUBUMBCKMMX-UXHICEINSA-N 2 0 331.504 2.481 10 0 EEAERP CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000651769249 471110274 /nfs/dbraw/zinc/11/02/74/471110274.db2.gz YJPACJSLAHXADL-UHFFFAOYSA-N 2 0 341.521 2.004 10 0 EEAERP CC(C)n1cncc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657594842 471179708 /nfs/dbraw/zinc/17/97/08/471179708.db2.gz DDVOLELXACBCKX-IBGZPJMESA-N 2 0 328.460 2.320 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)c2ccccc2)CC1 ZINC000657869604 471243009 /nfs/dbraw/zinc/24/30/09/471243009.db2.gz YBJRRKVIQAZTAS-OALUTQOASA-N 2 0 329.488 2.276 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000652147825 471244829 /nfs/dbraw/zinc/24/48/29/471244829.db2.gz CUCGJAUIHIOGAT-IYBDPMFKSA-N 2 0 332.492 2.468 10 0 EEAERP O[C@@]1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOC1 ZINC000652263144 471263916 /nfs/dbraw/zinc/26/39/16/471263916.db2.gz KZJIFVUOEFGFMZ-HAGHYFMRSA-N 2 0 330.472 2.313 10 0 EEAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110299 471266710 /nfs/dbraw/zinc/26/67/10/471266710.db2.gz XDYVOXNNIAWIHQ-ROUUACIJSA-N 2 0 340.556 2.029 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000658109806 471266846 /nfs/dbraw/zinc/26/68/46/471266846.db2.gz XYKDTMSXUKBIPM-DLBZAZTESA-N 2 0 344.507 2.190 10 0 EEAERP COC[C@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)OC ZINC000660497174 471367108 /nfs/dbraw/zinc/36/71/08/471367108.db2.gz MHBBXDLJDRHBCR-HOTGVXAUSA-N 2 0 326.506 2.472 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CCCn3ccnc32)(N2CCCCC2)CC1 ZINC000655720036 471455897 /nfs/dbraw/zinc/45/58/97/471455897.db2.gz NXSOHEMEMWXKKF-KRWDZBQOSA-N 2 0 331.508 2.258 10 0 EEAERP C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659040686 471483842 /nfs/dbraw/zinc/48/38/42/471483842.db2.gz FXIGZFALJPBRBY-CRAIPNDOSA-N 2 0 346.475 2.201 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC/C=C\C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000669562554 471556415 /nfs/dbraw/zinc/55/64/15/471556415.db2.gz KVGNCSWLXMKBAH-VQTKUKTRSA-N 2 0 344.381 2.122 10 0 EEAERP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468605 471726132 /nfs/dbraw/zinc/72/61/32/471726132.db2.gz OYQKOPBBEVTAMW-MOPGFXCFSA-N 2 0 339.487 2.342 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000659909110 471788890 /nfs/dbraw/zinc/78/88/90/471788890.db2.gz INQJGPXRCMPMTE-HSALFYBXSA-N 2 0 336.568 2.066 10 0 EEAERP Cc1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(OCC[NH+](C)C)c1 ZINC000653998666 471800774 /nfs/dbraw/zinc/80/07/74/471800774.db2.gz MOQSMWYFKRQREA-IYBDPMFKSA-N 2 0 348.491 2.397 10 0 EEAERP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690203 471853075 /nfs/dbraw/zinc/85/30/75/471853075.db2.gz OKHKAQLZJLWIHB-SJORKVTESA-N 2 0 348.466 2.190 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000664909876 471894639 /nfs/dbraw/zinc/89/46/39/471894639.db2.gz BICLBSFBVVVRAD-QXAKKESOSA-N 2 0 344.503 2.385 10 0 EEAERP C1CC2(C1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[C@H]2N1CCOCC1 ZINC000665274634 471987004 /nfs/dbraw/zinc/98/70/04/471987004.db2.gz URVKHJKRYJOMMO-NTZUZEMLSA-N 2 0 333.520 2.140 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000662570667 472157577 /nfs/dbraw/zinc/15/75/77/472157577.db2.gz HTLCVAWXENLOLB-INIZCTEOSA-N 2 0 342.443 2.352 10 0 EEAERP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662774614 472246374 /nfs/dbraw/zinc/24/63/74/472246374.db2.gz SEJAHDPRFXVBPY-HNNXBMFYSA-N 2 0 342.443 2.218 10 0 EEAERP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662788907 472251456 /nfs/dbraw/zinc/25/14/56/472251456.db2.gz WVPNDMVDNFPIQA-UHFFFAOYSA-N 2 0 348.491 2.478 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626955094 485695081 /nfs/dbraw/zinc/69/50/81/485695081.db2.gz SRTCGRHKFRQINA-BHIYHBOVSA-N 2 0 344.503 2.338 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000675199811 485927895 /nfs/dbraw/zinc/92/78/95/485927895.db2.gz NNIXYYQDVGDZLK-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000677224838 486397067 /nfs/dbraw/zinc/39/70/67/486397067.db2.gz UAKAPXDLJCBTGO-KRWDZBQOSA-N 2 0 332.492 2.290 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000682916096 486584143 /nfs/dbraw/zinc/58/41/43/486584143.db2.gz GEJZKNXKFKYRSP-KDOFPFPSSA-N 2 0 333.451 2.247 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC[NH2+]1 ZINC000415078056 534085847 /nfs/dbraw/zinc/08/58/47/534085847.db2.gz IBALRCMZMITCAR-LPHOPBHVSA-N 2 0 325.456 2.374 10 0 EEAERP [NH3+]CCC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000415059721 534621203 /nfs/dbraw/zinc/62/12/03/534621203.db2.gz VOZOCUSCVYWLFT-GOSISDBHSA-N 2 0 337.423 2.352 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000173786750 527833331 /nfs/dbraw/zinc/83/33/31/527833331.db2.gz MTWQQPCOBWYGOR-RBUKOAKNSA-N 2 0 331.504 2.350 10 0 EEAERP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000761086531 577676256 /nfs/dbraw/zinc/67/62/56/577676256.db2.gz DIUJSOVZSPCICF-MOPGFXCFSA-N 2 0 327.472 2.124 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C1CCC1 ZINC000925039063 682650490 /nfs/dbraw/zinc/65/04/90/682650490.db2.gz ABRXMFMQYRYHFY-HZPDHXFCSA-N 2 0 331.508 2.427 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnn(C2CCC2)c1 ZINC000925041643 682665820 /nfs/dbraw/zinc/66/58/20/682665820.db2.gz QAGGLQLJLQQNNV-RDJZCZTQSA-N 2 0 331.508 2.427 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc2onc(C)c2c1 ZINC000894765377 683081146 /nfs/dbraw/zinc/08/11/46/683081146.db2.gz HBXZBFACQCBXJG-KRWDZBQOSA-N 2 0 345.491 2.379 10 0 EEAERP COC(=O)[C@H]1[C@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1(F)F ZINC000894766886 683081468 /nfs/dbraw/zinc/08/14/68/683081468.db2.gz WRFXBUPNGUQAMW-LSDHHAIUSA-N 2 0 326.387 2.234 10 0 EEAERP COC(=O)[C@H]1[C@@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1(F)F ZINC000894766885 683081601 /nfs/dbraw/zinc/08/16/01/683081601.db2.gz WRFXBUPNGUQAMW-HUUCEWRRSA-N 2 0 326.387 2.234 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000914244919 683404154 /nfs/dbraw/zinc/40/41/54/683404154.db2.gz TUIUGQXNKXHLRX-KDOFPFPSSA-N 2 0 348.466 2.182 10 0 EEAERP C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C[NH+]1CCCC1 ZINC000914243994 683412303 /nfs/dbraw/zinc/41/23/03/683412303.db2.gz YCHXCZTUNNLDAJ-SJLPKXTDSA-N 2 0 347.507 2.106 10 0 EEAERP COc1ccc(C)cc1C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485541206 1191828707 /nfs/dbraw/zinc/82/87/07/1191828707.db2.gz YKMUPSMFFNYKBU-INIZCTEOSA-N 2 0 347.503 2.280 10 0 EEAERP COCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485576946 1191844706 /nfs/dbraw/zinc/84/47/06/1191844706.db2.gz GHGDNFGQCMUZCG-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001485679306 1191895060 /nfs/dbraw/zinc/89/50/60/1191895060.db2.gz LVRFNIWNMRSPTN-SZMVWBNQSA-N 2 0 349.906 2.461 10 0 EEAERP C[NH+](CC(=O)NCC[N@@H+](C)CC[C@@H]1CCCC1(F)F)C1CCC1 ZINC001480873780 1176531118 /nfs/dbraw/zinc/53/11/18/1176531118.db2.gz LDSGVUSWIBKASH-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001266610287 1176968545 /nfs/dbraw/zinc/96/85/45/1176968545.db2.gz PWNIJZZFYCWZOP-REMRUCRPSA-N 2 0 327.472 2.421 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001691317561 1177898256 /nfs/dbraw/zinc/89/82/56/1177898256.db2.gz ZEIJXCKYMWYHQL-KRWDZBQOSA-N 2 0 339.430 2.386 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccncc1Cl ZINC001691339645 1177934499 /nfs/dbraw/zinc/93/44/99/1177934499.db2.gz JATBGQKEKVDVFI-INIZCTEOSA-N 2 0 338.883 2.157 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CCCF)C2)CCCCC1 ZINC001267051094 1178155217 /nfs/dbraw/zinc/15/52/17/1178155217.db2.gz XCXUSKOWHJHQCM-MRXNPFEDSA-N 2 0 327.488 2.296 10 0 EEAERP CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267071498 1178188486 /nfs/dbraw/zinc/18/84/86/1178188486.db2.gz HOZCLACFOBXNIC-SHARSMKWSA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCN1CCOCC1 ZINC001267176251 1178421820 /nfs/dbraw/zinc/42/18/20/1178421820.db2.gz BZVZNYGMZPFAHP-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001267398109 1178968039 /nfs/dbraw/zinc/96/80/39/1178968039.db2.gz ZKRQMASHFAZNOU-ZDUSSCGKSA-N 2 0 348.318 2.247 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)c(Cl)c1)[NH+](C)C ZINC001267430339 1179005251 /nfs/dbraw/zinc/00/52/51/1179005251.db2.gz NXMIEPQTHWRIKA-HNNXBMFYSA-N 2 0 329.847 2.367 10 0 EEAERP CC(C)[N@H+](CCF)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267509300 1179217767 /nfs/dbraw/zinc/21/77/67/1179217767.db2.gz QIWUXRYZOZXUSC-KRWDZBQOSA-N 2 0 333.467 2.385 10 0 EEAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001481252356 1180473741 /nfs/dbraw/zinc/47/37/41/1180473741.db2.gz ROEYQGZUHAQACA-GOSISDBHSA-N 2 0 332.492 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001267895833 1180710451 /nfs/dbraw/zinc/71/04/51/1180710451.db2.gz JBMKUYZJBWYXRL-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CC[C@H]([NH2+]CCCO)CC1)C1CCCCC1 ZINC001267927949 1180777932 /nfs/dbraw/zinc/77/79/32/1180777932.db2.gz UGIGZDHHXLBRRS-QAQDUYKDSA-N 2 0 339.524 2.040 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001267969073 1180873947 /nfs/dbraw/zinc/87/39/47/1180873947.db2.gz FOYBQQWSTUUBJV-CGMDNHBQSA-N 2 0 327.900 2.440 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001268021621 1181008697 /nfs/dbraw/zinc/00/86/97/1181008697.db2.gz IRUOXFRITFESMK-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCC2=CCCCC2)CCO1)[NH+](C)C ZINC001268030071 1181219408 /nfs/dbraw/zinc/21/94/08/1181219408.db2.gz MBZJJYWBSUFBSJ-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001268100798 1181746768 /nfs/dbraw/zinc/74/67/68/1181746768.db2.gz PVSBSJQPFVRLAP-QFBILLFUSA-N 2 0 331.504 2.180 10 0 EEAERP Cc1nc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cs1 ZINC001268108771 1181753816 /nfs/dbraw/zinc/75/38/16/1181753816.db2.gz DQZQMWZGDZAHLI-XJKSGUPXSA-N 2 0 340.537 2.017 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC001268378508 1182398717 /nfs/dbraw/zinc/39/87/17/1182398717.db2.gz KBAJNOSUILZLPZ-MLGOLLRUSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379811 1182405811 /nfs/dbraw/zinc/40/58/11/1182405811.db2.gz WCMPRTXFIDOYCW-MAUKXSAKSA-N 2 0 335.467 2.337 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732590 1182414058 /nfs/dbraw/zinc/41/40/58/1182414058.db2.gz RIXBWXGQAFQYBC-DOTOQJQBSA-N 2 0 339.524 2.207 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001268398875 1182480434 /nfs/dbraw/zinc/48/04/34/1182480434.db2.gz PVKSAQJPYPFCBM-CRAIPNDOSA-N 2 0 334.508 2.269 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268457914 1182720268 /nfs/dbraw/zinc/72/02/68/1182720268.db2.gz BTMDVEQYHJLJTB-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001481855561 1182815096 /nfs/dbraw/zinc/81/50/96/1182815096.db2.gz MHNMDFGJLBDVIU-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001481870578 1182829972 /nfs/dbraw/zinc/82/99/72/1182829972.db2.gz SFXPLFWQWCJTHW-TZMCWYRMSA-N 2 0 326.872 2.060 10 0 EEAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479538 1182922810 /nfs/dbraw/zinc/92/28/10/1182922810.db2.gz LIQLDRXIQBFLRM-VOCYLRNQSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481982164 1183078124 /nfs/dbraw/zinc/07/81/24/1183078124.db2.gz HKKYRYUWUOQROY-INIZCTEOSA-N 2 0 348.491 2.043 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001482033623 1183179467 /nfs/dbraw/zinc/17/94/67/1183179467.db2.gz MEYBXKSGYFCXML-MOPGFXCFSA-N 2 0 345.487 2.056 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001268538151 1183202229 /nfs/dbraw/zinc/20/22/29/1183202229.db2.gz GZGXTGZNKZKRHT-ZMXQLYDGSA-N 2 0 349.425 2.069 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268567476 1183273959 /nfs/dbraw/zinc/27/39/59/1183273959.db2.gz QHKZIEDDMYBASH-PLNGDYQASA-N 2 0 347.422 2.343 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C\C[NH2+]Cc2ccccn2)C1 ZINC001268590999 1183392758 /nfs/dbraw/zinc/39/27/58/1183392758.db2.gz MHNSAFJTERAUIC-LIXSYLKWSA-N 2 0 348.466 2.056 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269073243 1183935864 /nfs/dbraw/zinc/93/58/64/1183935864.db2.gz LDGMSSBAARIUJM-IBGZPJMESA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001269436752 1184266726 /nfs/dbraw/zinc/26/67/26/1184266726.db2.gz ANUPQIFMYDSXMQ-IAGOWNOFSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001269765715 1184602209 /nfs/dbraw/zinc/60/22/09/1184602209.db2.gz JLZYVALBJYZCAO-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001270067185 1184824092 /nfs/dbraw/zinc/82/40/92/1184824092.db2.gz RONJXSWTLPZJEC-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP COCCCC[NH+]1CCC(C)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001270256101 1184964280 /nfs/dbraw/zinc/96/42/80/1184964280.db2.gz UIASDRSJCWLWKE-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCCc1cccc(F)c1 ZINC001482358623 1185506733 /nfs/dbraw/zinc/50/67/33/1185506733.db2.gz QFVPMVDRIJGYTK-AWEZNQCLSA-N 2 0 346.450 2.469 10 0 EEAERP C[C@H](C[NH2+]Cc1c(F)cccc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365284 1185521544 /nfs/dbraw/zinc/52/15/44/1185521544.db2.gz UPPCHACTDNOHAY-OLZOCXBDSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)n1 ZINC001482399405 1185616646 /nfs/dbraw/zinc/61/66/46/1185616646.db2.gz YLEPNXWKXPZXAB-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001482429548 1185688419 /nfs/dbraw/zinc/68/84/19/1185688419.db2.gz QYVDNIMOYPBCLG-YJBOKZPZSA-N 2 0 335.467 2.434 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)oc1C ZINC001482444712 1185754107 /nfs/dbraw/zinc/75/41/07/1185754107.db2.gz OXAXBJUMLIQCHM-IAGOWNOFSA-N 2 0 348.491 2.246 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1nccs1 ZINC001482498848 1186405860 /nfs/dbraw/zinc/40/58/60/1186405860.db2.gz BMHHTMRQXDZESQ-LSDHHAIUSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482817240 1187749735 /nfs/dbraw/zinc/74/97/35/1187749735.db2.gz SRYWKXFDHLGRHN-WCQYABFASA-N 2 0 329.897 2.480 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001482884722 1187800416 /nfs/dbraw/zinc/80/04/16/1187800416.db2.gz KQNODYSPHGCUDC-QGZVFWFLSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482889741 1187816646 /nfs/dbraw/zinc/81/66/46/1187816646.db2.gz RYDTWPHRUZLVJJ-SWLSCSKDSA-N 2 0 326.510 2.022 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C2CCCCC2)cc(Cl)n1 ZINC000841848561 1187994198 /nfs/dbraw/zinc/99/41/98/1187994198.db2.gz MCQKCDAMMXFBIE-LSDHHAIUSA-N 2 0 338.883 2.457 10 0 EEAERP CCc1ccc(CC[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001483043094 1188196562 /nfs/dbraw/zinc/19/65/62/1188196562.db2.gz FNFURSVUYCNGAQ-VZSQWMKGSA-N 2 0 329.488 2.148 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cncc(F)c2)C1 ZINC001483049686 1188288150 /nfs/dbraw/zinc/28/81/50/1188288150.db2.gz PFTBOFQVFVQIFP-IDOMTICXSA-N 2 0 348.466 2.105 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)ccc1Cl ZINC001691622821 1188322571 /nfs/dbraw/zinc/32/25/71/1188322571.db2.gz AAFQDMDAOUULBP-UHFFFAOYSA-N 2 0 341.883 2.237 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001272227231 1188433301 /nfs/dbraw/zinc/43/33/01/1188433301.db2.gz UPEMAAFUVNYFFJ-WMZOPIPTSA-N 2 0 348.491 2.138 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000809751514 1188517885 /nfs/dbraw/zinc/51/78/85/1188517885.db2.gz ILBNARUWOXWEMY-HXUWFJFHSA-N 2 0 331.504 2.421 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001483172605 1189025267 /nfs/dbraw/zinc/02/52/67/1189025267.db2.gz UCCFPSOKFJECAJ-UKRRQHHQSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483184779 1189058282 /nfs/dbraw/zinc/05/82/82/1189058282.db2.gz VNPCJPKFWKMERZ-HIFRSBDPSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ccc2sc(C[NH2+]C[C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)nc2c1 ZINC001483214503 1189192912 /nfs/dbraw/zinc/19/29/12/1189192912.db2.gz CWWUMZIBKODLEY-ZFWWWQNUSA-N 2 0 346.500 2.293 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001483233200 1189652114 /nfs/dbraw/zinc/65/21/14/1189652114.db2.gz OQFHPOLPSPDZBS-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001485892365 1193631721 /nfs/dbraw/zinc/63/17/21/1193631721.db2.gz PBIJSSBHYANEKW-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CCC1([NH+]2CCC2)CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000905582897 1189795144 /nfs/dbraw/zinc/79/51/44/1189795144.db2.gz AIUPPFIFINNXCF-UHFFFAOYSA-N 2 0 338.565 2.153 10 0 EEAERP C[C@@H](NC(=O)CN(C)Cc1ccccc1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001409477480 1189812477 /nfs/dbraw/zinc/81/24/77/1189812477.db2.gz UMCRERVJZFRPKH-DLBZAZTESA-N 2 0 347.503 2.028 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409483055 1189844017 /nfs/dbraw/zinc/84/40/17/1189844017.db2.gz YSMQERLYPYEOAZ-KBPBESRZSA-N 2 0 344.459 2.341 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1OC1CC1 ZINC001485955625 1193648304 /nfs/dbraw/zinc/64/83/04/1193648304.db2.gz NUWJVWVVSCUOBL-INIZCTEOSA-N 2 0 345.487 2.260 10 0 EEAERP CCc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001409523024 1189977939 /nfs/dbraw/zinc/97/79/39/1189977939.db2.gz SVJYQEVUCFXGGF-LPHOPBHVSA-N 2 0 331.504 2.322 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1 ZINC001485945011 1193654281 /nfs/dbraw/zinc/65/42/81/1193654281.db2.gz SKVPTBFFIKYFDN-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001483244306 1190273013 /nfs/dbraw/zinc/27/30/13/1190273013.db2.gz VAIHJIGTXVFIPE-QFBILLFUSA-N 2 0 346.519 2.413 10 0 EEAERP CO[C@@H](C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001483259862 1190285705 /nfs/dbraw/zinc/28/57/05/1190285705.db2.gz RIOMEXWZXGULBY-LAQRGFTBSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483282753 1190305258 /nfs/dbraw/zinc/30/52/58/1190305258.db2.gz AQBZZEJSCZBLFZ-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(Cl)c(F)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483417312 1190464217 /nfs/dbraw/zinc/46/42/17/1190464217.db2.gz JZSKAOYAZGCGFX-GXTWGEPZSA-N 2 0 341.858 2.367 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)C[N@H+](C)C1CCC1 ZINC001483470167 1190491763 /nfs/dbraw/zinc/49/17/63/1190491763.db2.gz MGSZRZVHURIYHW-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC001483512107 1190525475 /nfs/dbraw/zinc/52/54/75/1190525475.db2.gz OZUGQCUSKZPYNU-IRXDYDNUSA-N 2 0 349.523 2.275 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001483560222 1190548393 /nfs/dbraw/zinc/54/83/93/1190548393.db2.gz CEYVWDUXLIXWQM-CVEARBPZSA-N 2 0 336.505 2.000 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483561461 1190550906 /nfs/dbraw/zinc/55/09/06/1190550906.db2.gz RPJXMRXSRHKPAE-SJORKVTESA-N 2 0 333.501 2.074 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483606590 1190585395 /nfs/dbraw/zinc/58/53/95/1190585395.db2.gz YWKHRDZJCHUFOD-SJLPKXTDSA-N 2 0 333.451 2.070 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1cc(C)no1 ZINC001483620631 1190602701 /nfs/dbraw/zinc/60/27/01/1190602701.db2.gz AHFFUZHGMCTNLB-NVXWUHKLSA-N 2 0 336.480 2.040 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC001483622101 1190607769 /nfs/dbraw/zinc/60/77/69/1190607769.db2.gz LFQFXXUXOOFVSJ-RDJZCZTQSA-N 2 0 336.480 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccc1F)CC2 ZINC001486143352 1193695508 /nfs/dbraw/zinc/69/55/08/1193695508.db2.gz AHORIKYBCKSCNN-IEBWSBKVSA-N 2 0 333.451 2.391 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001691636542 1190739308 /nfs/dbraw/zinc/73/93/08/1190739308.db2.gz HVWHXKKCNURIDC-QGZVFWFLSA-N 2 0 327.513 2.112 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847387 1191082294 /nfs/dbraw/zinc/08/22/94/1191082294.db2.gz LZTLDJNSEVYCIW-HKUYNNGSSA-N 2 0 339.499 2.392 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC001483899952 1191107309 /nfs/dbraw/zinc/10/73/09/1191107309.db2.gz BVJHPKVDLOPVJY-DLBZAZTESA-N 2 0 349.523 2.218 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483936740 1191123940 /nfs/dbraw/zinc/12/39/40/1191123940.db2.gz UGWNXGPNALNBAF-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1 ZINC001484007615 1191152469 /nfs/dbraw/zinc/15/24/69/1191152469.db2.gz YTUDBGIRBKPJHZ-QQVOCNMXSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001484123589 1191223070 /nfs/dbraw/zinc/22/30/70/1191223070.db2.gz ZNOLKLFZDROWLH-HXUWFJFHSA-N 2 0 341.499 2.419 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484122798 1191226706 /nfs/dbraw/zinc/22/67/06/1191226706.db2.gz VRVGBAHVSZQNOX-XLIONFOSSA-N 2 0 344.503 2.060 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC001484188871 1191264958 /nfs/dbraw/zinc/26/49/58/1191264958.db2.gz FBWYGARDIJZBFX-UHFFFAOYSA-N 2 0 347.503 2.417 10 0 EEAERP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484344885 1191312575 /nfs/dbraw/zinc/31/25/75/1191312575.db2.gz PWXNZRNBDOOEGH-IRXDYDNUSA-N 2 0 349.519 2.011 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001484527382 1191396043 /nfs/dbraw/zinc/39/60/43/1191396043.db2.gz MUYJZOKXFDBWKY-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)CC1CCOCC1 ZINC001484769502 1191512691 /nfs/dbraw/zinc/51/26/91/1191512691.db2.gz WMAZVEQIPDBTSI-CALCHBBNSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]C[C@H](C)OC)CC2)C1 ZINC001484921705 1191575984 /nfs/dbraw/zinc/57/59/84/1191575984.db2.gz CVEPTTNGSNAEOP-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001484997105 1191607395 /nfs/dbraw/zinc/60/73/95/1191607395.db2.gz VNSSVKSZVMSMOZ-ABSDTBQOSA-N 2 0 343.515 2.370 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC001485068741 1191636453 /nfs/dbraw/zinc/63/64/53/1191636453.db2.gz HZHKZYCQFLPFBW-HNNXBMFYSA-N 2 0 338.883 2.110 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CCC[C@H]1CCOC1 ZINC001485080932 1191649869 /nfs/dbraw/zinc/64/98/69/1191649869.db2.gz XQVKLVLUQWALPR-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485168262 1191671205 /nfs/dbraw/zinc/67/12/05/1191671205.db2.gz ZJPWOKURYFOYOJ-CVEARBPZSA-N 2 0 330.476 2.001 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001485213222 1191695690 /nfs/dbraw/zinc/69/56/90/1191695690.db2.gz CLFZOPYHKQICPL-CHWSQXEVSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC001485384730 1191769380 /nfs/dbraw/zinc/76/93/80/1191769380.db2.gz XUGFSDMFTWGGQY-JSGCOSHPSA-N 2 0 341.858 2.367 10 0 EEAERP COCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001485456349 1191792162 /nfs/dbraw/zinc/79/21/62/1191792162.db2.gz PYPJDVXRVRWDAO-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@]3(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]23)c1 ZINC001486153185 1193703352 /nfs/dbraw/zinc/70/33/52/1193703352.db2.gz CPDZIJLVWRVNPX-UYAOXDASSA-N 2 0 344.503 2.343 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001486210760 1193751027 /nfs/dbraw/zinc/75/10/27/1193751027.db2.gz PTAACLOKGOTZKG-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+][C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC001486416624 1193946546 /nfs/dbraw/zinc/94/65/46/1193946546.db2.gz KHLFQYOBFTWLHC-DOTOQJQBSA-N 2 0 349.523 2.308 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001273018342 1194325608 /nfs/dbraw/zinc/32/56/08/1194325608.db2.gz JJVKIKZIGCWATJ-RISCZKNCSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@@H](CC[NH2+]CCCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123309 1194406578 /nfs/dbraw/zinc/40/65/78/1194406578.db2.gz RIQYYMLVMCLGNT-KRWDZBQOSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001493653897 1197350872 /nfs/dbraw/zinc/35/08/72/1197350872.db2.gz NWBICXWFCBIWBI-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP Cc1oncc1C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001410187959 1197593119 /nfs/dbraw/zinc/59/31/19/1197593119.db2.gz OWDBYFCABCEYBG-BQFCYCMXSA-N 2 0 348.491 2.040 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001410436540 1197889136 /nfs/dbraw/zinc/88/91/36/1197889136.db2.gz NSWLPXBPZFPMAK-CXAGYDPISA-N 2 0 338.496 2.068 10 0 EEAERP Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000872181507 1198076217 /nfs/dbraw/zinc/07/62/17/1198076217.db2.gz LUEOUNIAGVOQBD-AWEZNQCLSA-N 2 0 349.398 2.481 10 0 EEAERP CC(C)(C)OC(=O)CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000865776807 1198372527 /nfs/dbraw/zinc/37/25/27/1198372527.db2.gz JWYPBDBSEOYDJJ-DLBZAZTESA-N 2 0 337.508 2.009 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(N(C)C)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273383100 1198427455 /nfs/dbraw/zinc/42/74/55/1198427455.db2.gz WQTQXNHINFDZSE-VQIMIIECSA-N 2 0 346.519 2.031 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1C[NH+](C)C ZINC000866012119 1198454401 /nfs/dbraw/zinc/45/44/01/1198454401.db2.gz QRMXOWNNRYAZOW-CHWSQXEVSA-N 2 0 330.398 2.276 10 0 EEAERP c1ncn(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccn2)n1 ZINC000873236448 1198538055 /nfs/dbraw/zinc/53/80/55/1198538055.db2.gz BCQUBDWJQVULRB-YESZJQIVSA-N 2 0 326.448 2.063 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncc(C)o3)[C@@H]2C1 ZINC001410912746 1198567019 /nfs/dbraw/zinc/56/70/19/1198567019.db2.gz FZPVUAPJZGGLLH-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC(F)(F)C1)CC2 ZINC001410927059 1198591159 /nfs/dbraw/zinc/59/11/59/1198591159.db2.gz ZTAUDPWGONZLFL-NVXWUHKLSA-N 2 0 343.462 2.487 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001410949258 1198616637 /nfs/dbraw/zinc/61/66/37/1198616637.db2.gz WXGAPPBRAVKNCS-GUYCJALGSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC2(C)C)cn1 ZINC001411026919 1198705690 /nfs/dbraw/zinc/70/56/90/1198705690.db2.gz UQXVSDOUKMYOOA-DOTOQJQBSA-N 2 0 347.507 2.013 10 0 EEAERP CN(C)Cc1cnc(CNC/C=C\CNC(=O)OC(C)(C)C)s1 ZINC000811498101 1200089253 /nfs/dbraw/zinc/08/92/53/1200089253.db2.gz LCLSXEQIIMWKMG-SREVYHEPSA-N 2 0 340.493 2.375 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCc3sccc32)C[C@H]1C[NH+](C)C ZINC000870020243 1200410996 /nfs/dbraw/zinc/41/09/96/1200410996.db2.gz JHDIPVFASWYAMD-INMHGKMJSA-N 2 0 349.544 2.366 10 0 EEAERP Cc1ccc(F)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1F ZINC000870022710 1200412058 /nfs/dbraw/zinc/41/20/58/1200412058.db2.gz YJQGUQWEQHREJJ-ZIAGYGMSSA-N 2 0 339.430 2.085 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@H]1C[NH+](C)C ZINC000870024303 1200413446 /nfs/dbraw/zinc/41/34/46/1200413446.db2.gz XZPIGGMGVLENKP-HUUCEWRRSA-N 2 0 346.450 2.118 10 0 EEAERP C[NH+]1CCC(n2cc(NC(=O)CCCC[NH+]3CCCC3)cn2)CC1 ZINC000870534138 1200730370 /nfs/dbraw/zinc/73/03/70/1200730370.db2.gz WJKFWNBCBMGGRR-UHFFFAOYSA-N 2 0 333.480 2.354 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870953666 1200974910 /nfs/dbraw/zinc/97/49/10/1200974910.db2.gz IPUFCRIJFYBYMF-OBXNSHGQSA-N 2 0 341.499 2.294 10 0 EEAERP COCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CC[NH+](C)CC1 ZINC000866672239 1201576414 /nfs/dbraw/zinc/57/64/14/1201576414.db2.gz HMLWCOXIYNIDMA-UHFFFAOYSA-N 3 0 331.504 2.123 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925482709 1202287275 /nfs/dbraw/zinc/28/72/75/1202287275.db2.gz SWBDIKLZQRVRMF-QEJZJMRPSA-N 2 0 339.505 2.151 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001274161019 1204419678 /nfs/dbraw/zinc/41/96/78/1204419678.db2.gz FLURGDWFUZFZBW-NSCUHMNNSA-N 2 0 327.472 2.385 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001274367636 1205011616 /nfs/dbraw/zinc/01/16/16/1205011616.db2.gz DBSGFESFRYPIOM-SREVYHEPSA-N 2 0 338.521 2.191 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001274578085 1205085333 /nfs/dbraw/zinc/08/53/33/1205085333.db2.gz FCIBJWIJQSWUSQ-APHBUQMISA-N 2 0 327.428 2.147 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001275054555 1205244737 /nfs/dbraw/zinc/24/47/37/1205244737.db2.gz YNCJWNCJINUZBZ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001276007066 1205631885 /nfs/dbraw/zinc/63/18/85/1205631885.db2.gz KTOIUUXLYGDWRW-IBGZPJMESA-N 2 0 347.478 2.436 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001276053413 1205754025 /nfs/dbraw/zinc/75/40/25/1205754025.db2.gz XAFSJLCFYANFQZ-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001276071751 1205760937 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2.412 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)cn1 ZINC000925520732 1206122432 /nfs/dbraw/zinc/12/24/32/1206122432.db2.gz XVIMUXWDZMXOCI-PKOBYXMFSA-N 2 0 327.476 2.459 10 0 EEAERP O=C(CCc1ccccc1)N1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925593549 1206133637 /nfs/dbraw/zinc/13/36/37/1206133637.db2.gz JRVLFFSMOFLSAS-LJQANCHMSA-N 2 0 341.499 2.484 10 0 EEAERP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925803424 1206155190 /nfs/dbraw/zinc/15/51/90/1206155190.db2.gz OGTRBVNEMHXWDO-DUXKGJEZSA-N 2 0 345.531 2.458 10 0 EEAERP Cc1c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cnn1-c1ccccc1 ZINC000925809538 1206156551 /nfs/dbraw/zinc/15/65/51/1206156551.db2.gz KGIWUCHTUWGUDF-OAHLLOKOSA-N 2 0 327.476 2.254 10 0 EEAERP Cc1c([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)(C)C ZINC000925848494 1206160120 /nfs/dbraw/zinc/16/01/20/1206160120.db2.gz BMHVTXZKOIRZEL-DZGCQCFKSA-N 2 0 348.491 2.282 10 0 EEAERP COC(=O)c1csc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925847864 1206160148 /nfs/dbraw/zinc/16/01/48/1206160148.db2.gz WIQZZQUOGBXQQK-CQSZACIVSA-N 2 0 339.505 2.261 10 0 EEAERP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852456 1206160897 /nfs/dbraw/zinc/16/08/97/1206160897.db2.gz UXFFMFCPOJPWHC-XIRDDKMYSA-N 2 0 332.444 2.038 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCNc3ccccc32)CC12CC[NH2+]CC2 ZINC000925859694 1206162467 /nfs/dbraw/zinc/16/24/67/1206162467.db2.gz XQUBEQWYMAQFFK-YOEHRIQHSA-N 2 0 329.444 2.208 10 0 EEAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)n1 ZINC000925872638 1206163232 /nfs/dbraw/zinc/16/32/32/1206163232.db2.gz IMTJPJJPGAKLJI-OLMNGRFOSA-N 2 0 334.464 2.015 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC3[C@@H]4CC[C@H]3C[N@@H+](C)C4)nc2)CC1 ZINC000925906163 1206166615 /nfs/dbraw/zinc/16/66/15/1206166615.db2.gz NJTOMYQHLKBFBZ-NYTJIUQPSA-N 2 0 343.519 2.364 10 0 EEAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000926126884 1206195894 /nfs/dbraw/zinc/19/58/94/1206195894.db2.gz SHOFVVYTBUMHMF-UFYCRDLUSA-N 2 0 332.488 2.404 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000928829041 1206425230 /nfs/dbraw/zinc/42/52/30/1206425230.db2.gz SWZLXPISOMKHCY-QZTJIDSGSA-N 2 0 332.492 2.313 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000930113395 1206535520 /nfs/dbraw/zinc/53/55/20/1206535520.db2.gz LOBCXQWRAATZEF-GJZGRUSLSA-N 2 0 337.430 2.054 10 0 EEAERP O[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1(O)CCCC1 ZINC000930456021 1206559096 /nfs/dbraw/zinc/55/90/96/1206559096.db2.gz DBSGLNQFAUVRLO-PMACEKPBSA-N 2 0 344.499 2.250 10 0 EEAERP CCCC[N@H+](C[C@@](C)(O)C(=O)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032888 1206601638 /nfs/dbraw/zinc/60/16/38/1206601638.db2.gz BAUFPDIBJXFJJZ-GOSISDBHSA-N 2 0 328.497 2.322 10 0 EEAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000717993945 1211685162 /nfs/dbraw/zinc/68/51/62/1211685162.db2.gz INIJVIOSCVEGNJ-MJGOQNOKSA-N 2 0 332.488 2.418 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276326029 1215732212 /nfs/dbraw/zinc/73/22/12/1215732212.db2.gz DJQMOMIIGBRDSN-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC000900399724 1234317104 /nfs/dbraw/zinc/31/71/04/1234317104.db2.gz IAZGNORNBNDOLN-UHFFFAOYSA-N 2 0 329.488 2.105 10 0 EEAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC001413185093 1234556612 /nfs/dbraw/zinc/55/66/12/1234556612.db2.gz GQKSLRRPARNGFR-OKZBNKHCSA-N 2 0 329.488 2.353 10 0 EEAERP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000901280679 1235471751 /nfs/dbraw/zinc/47/17/51/1235471751.db2.gz SGVYWPZTAUZVQP-SFHVURJKSA-N 2 0 343.471 2.044 10 0 EEAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902739028 1238361034 /nfs/dbraw/zinc/36/10/34/1238361034.db2.gz HBWMXKAXFCDKDP-SJLPKXTDSA-N 2 0 331.504 2.242 10 0 EEAERP CN1CC[C@](O)(C[NH2+][C@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954409 1239183224 /nfs/dbraw/zinc/18/32/24/1239183224.db2.gz VPXOGRBCZXKVFT-UXHICEINSA-N 2 0 325.456 2.412 10 0 EEAERP COC(=O)c1ccc(N2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)[C@@H](C)C2)cc1 ZINC000903455526 1240519157 /nfs/dbraw/zinc/51/91/57/1240519157.db2.gz YRZNAVALBONACF-UXLLHSPISA-N 2 0 331.460 2.111 10 0 EEAERP CC(F)(F)CCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903464283 1240548464 /nfs/dbraw/zinc/54/84/64/1240548464.db2.gz GPCPVPJPIANPRT-CQSZACIVSA-N 2 0 341.450 2.434 10 0 EEAERP Cc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508699 1240729198 /nfs/dbraw/zinc/72/91/98/1240729198.db2.gz RHQQWMORIVJEKH-KDURUIRLSA-N 2 0 329.488 2.274 10 0 EEAERP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)c1)OCCO2 ZINC000903725779 1241732123 /nfs/dbraw/zinc/73/21/23/1241732123.db2.gz HGCIRUXWJTVWRK-RIFZZMRRSA-N 2 0 344.455 2.363 10 0 EEAERP COc1ccc(OC)c2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@H]2O ZINC000903877643 1242282324 /nfs/dbraw/zinc/28/23/24/1242282324.db2.gz OHDQCLZIITVIPR-NQKGRLOXSA-N 2 0 332.444 2.083 10 0 EEAERP Fc1ccc(N2CCOCC2)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903922547 1242513748 /nfs/dbraw/zinc/51/37/48/1242513748.db2.gz ZGSQPYMBSUVWCG-DODVFSASSA-N 2 0 333.451 2.283 10 0 EEAERP CC[C@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000903923485 1242517335 /nfs/dbraw/zinc/51/73/35/1242517335.db2.gz VIYDUXXTWHVCQF-FUHWJXTLSA-N 2 0 343.475 2.458 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001491027072 1258595069 /nfs/dbraw/zinc/59/50/69/1258595069.db2.gz VDZBKWRRCSRWDS-NGMDNJPQSA-N 2 0 334.291 2.417 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCOC(C)C)C1 ZINC001491108957 1258696037 /nfs/dbraw/zinc/69/60/37/1258696037.db2.gz FKCBXQYKTVPUKO-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)ccc1C ZINC001491503153 1259154009 /nfs/dbraw/zinc/15/40/09/1259154009.db2.gz FCYVPOFYCYYTNC-NVXWUHKLSA-N 2 0 333.476 2.082 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCN(C)C(=O)OC)CC1 ZINC000850389772 1277211603 /nfs/dbraw/zinc/21/16/03/1277211603.db2.gz HRNWINLVSNOMDF-UHFFFAOYSA-N 2 0 348.491 2.006 10 0 EEAERP C[C@@H](CN(C)C(=O)c1cccc2nccn21)[NH2+]Cc1cncc(F)c1 ZINC001277884514 1305015421 /nfs/dbraw/zinc/01/54/21/1305015421.db2.gz AOWZSTQFVQEVJX-ZDUSSCGKSA-N 2 0 341.390 2.119 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001488805361 1290205223 /nfs/dbraw/zinc/20/52/23/1290205223.db2.gz QRMTXYPKGXVNRG-AKAXFMLLSA-N 2 0 339.430 2.289 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC001489097511 1290368308 /nfs/dbraw/zinc/36/83/08/1290368308.db2.gz ZTJDVNHGTMFAJU-ZIAGYGMSSA-N 2 0 347.425 2.109 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)C1 ZINC000925486239 1290542062 /nfs/dbraw/zinc/54/20/62/1290542062.db2.gz QGEMKRBWQKRQAP-IRXDYDNUSA-N 2 0 338.517 2.487 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCOC1CCCCCC1 ZINC001490279803 1291105950 /nfs/dbraw/zinc/10/59/50/1291105950.db2.gz PNNMBLDULRCUEN-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1cncc(F)c1 ZINC001490282534 1291113357 /nfs/dbraw/zinc/11/33/57/1291113357.db2.gz YJGRGWSMKUYEOK-GJZGRUSLSA-N 2 0 336.455 2.032 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](C[C@H](F)CC)CC2 ZINC001490606860 1291518152 /nfs/dbraw/zinc/51/81/52/1291518152.db2.gz VOPYOBVQNWKYRF-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP Fc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000858088733 1294002623 /nfs/dbraw/zinc/00/26/23/1294002623.db2.gz PMLZYDIGQKIVQD-UHFFFAOYSA-N 2 0 328.435 2.128 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491160934 1299644395 /nfs/dbraw/zinc/64/43/95/1299644395.db2.gz OIDKKJWWFQYKRQ-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP O=C(NCC1([NH2+]CCCCC(F)(F)F)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001277060321 1301105500 /nfs/dbraw/zinc/10/55/00/1301105500.db2.gz MIYJXWPHRINQQH-CQSZACIVSA-N 2 0 347.425 2.299 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001277149092 1301515295 /nfs/dbraw/zinc/51/52/95/1301515295.db2.gz ZDHHDHLIWJFABR-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001277359517 1302635788 /nfs/dbraw/zinc/63/57/88/1302635788.db2.gz DPSQSVUJAXVNOF-FGTMMUONSA-N 2 0 339.524 2.209 10 0 EEAERP CCOCCC[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001277428618 1302977742 /nfs/dbraw/zinc/97/77/42/1302977742.db2.gz AIEPOXUIYJQVDE-UHFFFAOYSA-N 2 0 341.540 2.314 10 0 EEAERP CON(C)C(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000799126527 1305162348 /nfs/dbraw/zinc/16/23/48/1305162348.db2.gz FUBATEUDHFNZIL-INIZCTEOSA-N 2 0 325.497 2.373 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001278681265 1317686115 /nfs/dbraw/zinc/68/61/15/1317686115.db2.gz BUORSNQABNSYFU-SJLPKXTDSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCC(C)(C)C ZINC001278755092 1317980637 /nfs/dbraw/zinc/98/06/37/1317980637.db2.gz DNMSDOYHFQQGKU-IAGOWNOFSA-N 2 0 341.540 2.094 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001264119103 1322632132 /nfs/dbraw/zinc/63/21/32/1322632132.db2.gz UKCZAEPUMMMWAQ-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001264416889 1322695703 /nfs/dbraw/zinc/69/57/03/1322695703.db2.gz IGVUMZKQHZNMFA-LNLFQRSKSA-N 2 0 345.487 2.034 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001264683794 1322782589 /nfs/dbraw/zinc/78/25/89/1322782589.db2.gz MCWLOHRURZDTDY-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCOC)CC1 ZINC001265343013 1323087741 /nfs/dbraw/zinc/08/77/41/1323087741.db2.gz CXQMNKZCNYKTLZ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001265956241 1323519053 /nfs/dbraw/zinc/51/90/53/1323519053.db2.gz GNNQSPWLCODEIE-LSDHHAIUSA-N 2 0 333.467 2.446 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001266156201 1323725137 /nfs/dbraw/zinc/72/51/37/1323725137.db2.gz WRIXPGSZOVQZIM-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001266172765 1323740880 /nfs/dbraw/zinc/74/08/80/1323740880.db2.gz MYFDRJIXAGXWHL-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001279148989 1323841173 /nfs/dbraw/zinc/84/11/73/1323841173.db2.gz MNTPWHYGZNWHBW-FXAWDEMLSA-N 2 0 343.515 2.255 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001280043616 1324066706 /nfs/dbraw/zinc/06/67/06/1324066706.db2.gz ZTVUOJWTJHDYPW-SJORKVTESA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143817 1324095427 /nfs/dbraw/zinc/09/54/27/1324095427.db2.gz YGLRIMFLZRGHQY-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]CCCCOC)CC2)CC[N@@H+]1C ZINC001281499234 1325176714 /nfs/dbraw/zinc/17/67/14/1325176714.db2.gz YONUHZVCGIZSMK-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC[C@@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282288432 1325678515 /nfs/dbraw/zinc/67/85/15/1325678515.db2.gz HJGCGZMLOYDXDL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001282737944 1325776080 /nfs/dbraw/zinc/77/60/80/1325776080.db2.gz CWIBWDAPVQMGBQ-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282995849 1325873108 /nfs/dbraw/zinc/87/31/08/1325873108.db2.gz FOXMIZWTHJTULL-XBQKGDGXSA-N 2 0 333.520 2.465 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001283102617 1325919701 /nfs/dbraw/zinc/91/97/01/1325919701.db2.gz WGPZMEYGGMHCRE-IHRRRGAJSA-N 2 0 348.318 2.151 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001283702755 1326210327 /nfs/dbraw/zinc/21/03/27/1326210327.db2.gz BSEQZVLABUTSHF-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOc2ccc(C)cc2)C[C@H]1C ZINC001284019422 1326365264 /nfs/dbraw/zinc/36/52/64/1326365264.db2.gz YVVUUQWXUIQVDE-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001284199706 1326457396 /nfs/dbraw/zinc/45/73/96/1326457396.db2.gz XSFVCXBCYQCYPM-OVUXIIJLSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCOC2CCC2)C(C)(C)C)C1 ZINC001284625704 1326636507 /nfs/dbraw/zinc/63/65/07/1326636507.db2.gz RNNXWIMRZSJISZ-RDJZCZTQSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC001296258301 1329877603 /nfs/dbraw/zinc/87/76/03/1329877603.db2.gz NGMVMAZKPDFCEX-IPELMVKDSA-N 2 0 327.472 2.098 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]Cc2cncs2)C1)CC(C)(C)C ZINC001491834537 1330268487 /nfs/dbraw/zinc/26/84/87/1330268487.db2.gz IRIWKVHJYYZZCB-CQSZACIVSA-N 2 0 338.521 2.059 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(C(C)C)n2)C1 ZINC001491849970 1330273711 /nfs/dbraw/zinc/27/37/11/1330273711.db2.gz PYNPLPUEXONLKK-QGZVFWFLSA-N 2 0 346.519 2.485 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492165647 1331030727 /nfs/dbraw/zinc/03/07/27/1331030727.db2.gz ZCTZNIWJUIQGDX-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381911 1331409907 /nfs/dbraw/zinc/40/99/07/1331409907.db2.gz PHNSDOQOAXIYME-MRXNPFEDSA-N 2 0 325.472 2.145 10 0 EEAERP CC(C)COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001316803001 1331901367 /nfs/dbraw/zinc/90/13/67/1331901367.db2.gz GMWMMBCZFJHDPD-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316851343 1331934408 /nfs/dbraw/zinc/93/44/08/1331934408.db2.gz VDJUTTFLJOLYBM-SFHVURJKSA-N 2 0 345.503 2.062 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001317183207 1332119446 /nfs/dbraw/zinc/11/94/46/1332119446.db2.gz DHSHWXFHLOUQJK-OALUTQOASA-N 2 0 329.488 2.294 10 0 EEAERP Cc1ncoc1C[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001317514673 1332276135 /nfs/dbraw/zinc/27/61/35/1332276135.db2.gz XVTXCRDGLNDUMP-KRWDZBQOSA-N 2 0 348.491 2.330 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCCC(F)(F)F)C1 ZINC001317515144 1332276851 /nfs/dbraw/zinc/27/68/51/1332276851.db2.gz GPIYGQYTCOANEA-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCOc1ccc(C)cc1 ZINC001317664625 1332358843 /nfs/dbraw/zinc/35/88/43/1332358843.db2.gz LPABTFGSMGLJJN-IBGZPJMESA-N 2 0 347.503 2.296 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C)C2)C(C)C)c1 ZINC001317708586 1332382377 /nfs/dbraw/zinc/38/23/77/1332382377.db2.gz INPUWEBKFUOCRF-GOSISDBHSA-N 2 0 332.492 2.058 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001318485261 1332549919 /nfs/dbraw/zinc/54/99/19/1332549919.db2.gz PQASATDMFGTSAM-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOc1c(C)cccc1C ZINC001318601566 1332566193 /nfs/dbraw/zinc/56/61/93/1332566193.db2.gz ABRRXROJKVYZRX-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)o1 ZINC001318907559 1332621713 /nfs/dbraw/zinc/62/17/13/1332621713.db2.gz MWVZVPGVSZZIAT-GOSISDBHSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)[C@H](C(=O)NCc1ccc(C[NH2+]CCF)cc1)[NH+]1CCCC1 ZINC001319008328 1332636635 /nfs/dbraw/zinc/63/66/35/1332636635.db2.gz AXXHWAPDYWCUPQ-GOSISDBHSA-N 2 0 335.467 2.482 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOC(C)C)C1 ZINC001319102409 1332649515 /nfs/dbraw/zinc/64/95/15/1332649515.db2.gz WLGAJHDHXAWYMJ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319572753 1332722776 /nfs/dbraw/zinc/72/27/76/1332722776.db2.gz DJESWZSDVOONIQ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001320515209 1332901001 /nfs/dbraw/zinc/90/10/01/1332901001.db2.gz DGZVGRXXXBPDFG-VQIMIIECSA-N 2 0 331.504 2.370 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001320609075 1332920075 /nfs/dbraw/zinc/92/00/75/1332920075.db2.gz QXKGCKGYYBHTLS-RDTXWAMCSA-N 2 0 333.476 2.041 10 0 EEAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001320735002 1332942975 /nfs/dbraw/zinc/94/29/75/1332942975.db2.gz QGGAQBNHLSWURP-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320737722 1332943590 /nfs/dbraw/zinc/94/35/90/1332943590.db2.gz MNAZLXGJHASXMX-ZBFHGGJFSA-N 2 0 343.462 2.202 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001320758122 1332946980 /nfs/dbraw/zinc/94/69/80/1332946980.db2.gz 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339.524 2.303 10 0 EEAERP Cc1cnc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CC[NH+](C)C)s1 ZINC001567261491 1342726252 /nfs/dbraw/zinc/72/62/52/1342726252.db2.gz KQBZYXOFICVLDB-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC001567265828 1342728564 /nfs/dbraw/zinc/72/85/64/1342728564.db2.gz FPWNAZMXWOYNDL-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001568770284 1342851766 /nfs/dbraw/zinc/85/17/66/1342851766.db2.gz YSCIEKSBTINYFK-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCOCC1 ZINC001569730772 1342935738 /nfs/dbraw/zinc/93/57/38/1342935738.db2.gz SZUQHQYZIUGFIM-ZWKOTPCHSA-N 2 0 349.519 2.225 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCF)C1 ZINC001569861087 1342960548 /nfs/dbraw/zinc/96/05/48/1342960548.db2.gz NRALYQCNQAGYFX-ZJPYXAASSA-N 2 0 339.499 2.437 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001571136310 1343164289 /nfs/dbraw/zinc/16/42/89/1343164289.db2.gz GYIGLCDNQMFELY-BBENWYPRSA-N 2 0 345.834 2.118 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)[NH+]1CCCC1 ZINC001571569054 1343240081 /nfs/dbraw/zinc/24/00/81/1343240081.db2.gz WXARHJWTAVPKRY-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001676461511 1357153430 /nfs/dbraw/zinc/15/34/30/1357153430.db2.gz MFEOAOAGHUOMLS-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCOC2CCC2)C(C)(C)C)CCC1 ZINC001677258114 1357303392 /nfs/dbraw/zinc/30/33/92/1357303392.db2.gz RPWKEKTWPUMQMN-INIZCTEOSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001646954052 1353069796 /nfs/dbraw/zinc/06/97/96/1353069796.db2.gz QWUUCNLTOJMJTB-WNRNVDISSA-N 2 0 336.524 2.136 10 0 EEAERP CC[N@@H+]1CCCN(c2nnc([C@H]3CCCCN3C)n2CC2CC2)CC1 ZINC001650521062 1353968222 /nfs/dbraw/zinc/96/82/22/1353968222.db2.gz XEFVJPDKPZXOKX-QGZVFWFLSA-N 2 0 346.523 2.377 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC[NH2+]CCC1CC1 ZINC001656454004 1354239411 /nfs/dbraw/zinc/23/94/11/1354239411.db2.gz PZECKKVKUFCNKE-SJLPKXTDSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001656567663 1354249053 /nfs/dbraw/zinc/24/90/53/1354249053.db2.gz YBSHNEDIWKPXCS-KGLIPLIRSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@@H]1CCC[NH2+]CCF ZINC001656631162 1354254230 /nfs/dbraw/zinc/25/42/30/1354254230.db2.gz WETNSJZEDRZHFF-LMMKCTJWSA-N 2 0 339.499 2.439 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCc2ccccc21 ZINC001660146879 1354403834 /nfs/dbraw/zinc/40/38/34/1354403834.db2.gz TUNWFMZJHBUNFX-VQTJNVASSA-N 2 0 341.499 2.454 10 0 EEAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001660304017 1354434976 /nfs/dbraw/zinc/43/49/76/1354434976.db2.gz MUNMCUZHZYRUBT-YOEHRIQHSA-N 2 0 333.467 2.385 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001660466036 1354469165 /nfs/dbraw/zinc/46/91/65/1354469165.db2.gz PMQHLZZEIKGNIR-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1noc(C)c1C[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001660722985 1354526362 /nfs/dbraw/zinc/52/63/62/1354526362.db2.gz QWDNHQJFMVPYEN-AWEZNQCLSA-N 2 0 348.491 2.104 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccccn1)C1CC1 ZINC001660752616 1354531870 /nfs/dbraw/zinc/53/18/70/1354531870.db2.gz DAOSWRYFWZSSOK-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP COCCCCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001660794610 1354540138 /nfs/dbraw/zinc/54/01/38/1354540138.db2.gz RXMRWJFUGNDBCY-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661832291 1354705552 /nfs/dbraw/zinc/70/55/52/1354705552.db2.gz IEJIAAHFUYBBEY-UONOGXRCSA-N 2 0 348.318 2.475 10 0 EEAERP C[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001662691286 1354827086 /nfs/dbraw/zinc/82/70/86/1354827086.db2.gz SEADBBGSFQMOKU-DODUIYEKSA-N 2 0 327.900 2.442 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662796689 1354848511 /nfs/dbraw/zinc/84/85/11/1354848511.db2.gz DMYWOPSVWISMIY-ZWKOTPCHSA-N 2 0 333.476 2.025 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH+](C)CCCOC)C2)C1 ZINC001662856258 1354865731 /nfs/dbraw/zinc/86/57/31/1354865731.db2.gz LXYHPGRKHBLDJH-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001663624989 1355002875 /nfs/dbraw/zinc/00/28/75/1355002875.db2.gz LDLHXUPWKLQXCU-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001664186076 1355109567 /nfs/dbraw/zinc/10/95/67/1355109567.db2.gz JRQACOLGOUNPJK-MRXNPFEDSA-N 2 0 347.503 2.072 10 0 EEAERP CCc1nc(CNCCN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)cs1 ZINC001664395347 1355154080 /nfs/dbraw/zinc/15/40/80/1355154080.db2.gz PNXBJQCBYIZDFN-HNNXBMFYSA-N 2 0 338.521 2.128 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCc1cccs1 ZINC001664557804 1355192908 /nfs/dbraw/zinc/19/29/08/1355192908.db2.gz NEZUVFKDKBPTHN-MRXNPFEDSA-N 2 0 337.533 2.459 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC001665636143 1355342386 /nfs/dbraw/zinc/34/23/86/1355342386.db2.gz DUVUBGPIXPRAMT-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001666110309 1355453698 /nfs/dbraw/zinc/45/36/98/1355453698.db2.gz GOFUMHMTYFWDKH-RDZLGLOQSA-N 2 0 327.900 2.297 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2nccs2)C1 ZINC001666168461 1355474144 /nfs/dbraw/zinc/47/41/44/1355474144.db2.gz ZXJAYDHWIQMTRF-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP COCCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001666236869 1355492317 /nfs/dbraw/zinc/49/23/17/1355492317.db2.gz ZGAUAGITYIASMF-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)on1 ZINC001667301730 1355703670 /nfs/dbraw/zinc/70/36/70/1355703670.db2.gz JIAHLTZEESRAKF-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001668581169 1355967572 /nfs/dbraw/zinc/96/75/72/1355967572.db2.gz DWYCBBKMYPFEAX-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669039250 1356074061 /nfs/dbraw/zinc/07/40/61/1356074061.db2.gz LHMHINSQBNMGLZ-GWQWAINWSA-N 2 0 343.462 2.416 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001669146809 1356106797 /nfs/dbraw/zinc/10/67/97/1356106797.db2.gz XUAROZXGIBNIEA-DUMMIQTOSA-N 2 0 328.460 2.270 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001669202241 1356125088 /nfs/dbraw/zinc/12/50/88/1356125088.db2.gz YZWXFLGNWPFOPT-LSMGEYOZSA-N 2 0 329.435 2.167 10 0 EEAERP C[C@H](C[NH2+]CCCCC1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001669292346 1356141366 /nfs/dbraw/zinc/14/13/66/1356141366.db2.gz CFZLUWOBGXNLPY-JFIYKMOQSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001672567742 1356556281 /nfs/dbraw/zinc/55/62/81/1356556281.db2.gz MLBXFEZBOALRPG-DLBZAZTESA-N 2 0 325.472 2.145 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001672838898 1356597519 /nfs/dbraw/zinc/59/75/19/1356597519.db2.gz GQSKECFWPIQWSN-PKOBYXMFSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001672874381 1356603955 /nfs/dbraw/zinc/60/39/55/1356603955.db2.gz FIMNMEBUUDBJRH-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001672915233 1356614102 /nfs/dbraw/zinc/61/41/02/1356614102.db2.gz GNKWXVNKEUZQJL-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001673342335 1356669576 /nfs/dbraw/zinc/66/95/76/1356669576.db2.gz LOFGLXFPRYMKFO-SFHVURJKSA-N 2 0 337.508 2.034 10 0 EEAERP CCOCC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001673470923 1356693153 /nfs/dbraw/zinc/69/31/53/1356693153.db2.gz FZHAXTYKLTXBFM-GOSISDBHSA-N 2 0 345.503 2.016 10 0 EEAERP CC[C@@H](C(=O)N1CCC(C[NH2+]CCF)(c2ccccc2)CC1)[NH+](C)C ZINC001674052239 1356782143 /nfs/dbraw/zinc/78/21/43/1356782143.db2.gz MJYVNPBUCIBJBX-SFHVURJKSA-N 2 0 349.494 2.446 10 0 EEAERP Cc1nccnc1C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001675946771 1357075503 /nfs/dbraw/zinc/07/55/03/1357075503.db2.gz DCDGSQCFBZKHES-OAHLLOKOSA-N 2 0 347.507 2.034 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698789376 1405062160 /nfs/dbraw/zinc/06/21/60/1405062160.db2.gz HVHFAWSVJKOUOL-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001698791964 1405066255 /nfs/dbraw/zinc/06/62/55/1405066255.db2.gz ICRFMJDFEPKXMS-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001698916052 1405158050 /nfs/dbraw/zinc/15/80/50/1405158050.db2.gz HFFUAMABDJAGMB-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001699848671 1405525335 /nfs/dbraw/zinc/52/53/35/1405525335.db2.gz QVSBJYJDKCKTIW-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCCc1ccsc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001699944837 1405594823 /nfs/dbraw/zinc/59/48/23/1405594823.db2.gz PSBGCFGZMLGCRY-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925847064 779492632 /nfs/dbraw/zinc/49/26/32/779492632.db2.gz RXCXZQGJOHQQIP-HLPPOEQASA-N 2 0 330.419 2.475 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000817924385 785076624 /nfs/dbraw/zinc/07/66/24/785076624.db2.gz WCWBCSSRIMVFPT-SJORKVTESA-N 2 0 333.476 2.061 10 0 EEAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)CCO2 ZINC000817982810 785130408 /nfs/dbraw/zinc/13/04/08/785130408.db2.gz HPSMQNRTMGOOOR-VNCLNFNDSA-N 2 0 329.488 2.489 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819059385 785380605 /nfs/dbraw/zinc/38/06/05/785380605.db2.gz XUWKNQOYIPLGKF-AZUAARDMSA-N 2 0 333.520 2.200 10 0 EEAERP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922974113 788475150 /nfs/dbraw/zinc/47/51/50/788475150.db2.gz UWQCMYFOMWFHFA-GOSISDBHSA-N 2 0 330.476 2.201 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000913097544 788625889 /nfs/dbraw/zinc/62/58/89/788625889.db2.gz NVWYMPYZRXXSFL-QRQLOZEOSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450714 789581873 /nfs/dbraw/zinc/58/18/73/789581873.db2.gz WXLNAVCJUBOJBQ-WBVHZDCISA-N 2 0 341.459 2.158 10 0 EEAERP CCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)OC1=O ZINC000690619515 790211922 /nfs/dbraw/zinc/21/19/22/790211922.db2.gz BVLPAYMOEOSIEH-BPQIPLTHSA-N 2 0 331.460 2.327 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)CC1 ZINC000921696208 795404992 /nfs/dbraw/zinc/40/49/92/795404992.db2.gz INDGDNPLLAQGPV-UHFFFAOYSA-N 2 0 346.450 2.099 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566072087 1125545473 /nfs/dbraw/zinc/54/54/73/1125545473.db2.gz QHPSRKHNBVIBPT-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCc1cccs1 ZINC001566471155 1125631337 /nfs/dbraw/zinc/63/13/37/1125631337.db2.gz OVPIKFUTZICKPZ-UHFFFAOYSA-N 2 0 335.517 2.357 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CCC1CCOCC1 ZINC001566555652 1125729189 /nfs/dbraw/zinc/72/91/89/1125729189.db2.gz XKFXXVQPYABURV-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1ncccc1C ZINC001566563684 1125738394 /nfs/dbraw/zinc/73/83/94/1125738394.db2.gz DMMVYZUAQWRFEY-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001566565574 1125740585 /nfs/dbraw/zinc/74/05/85/1125740585.db2.gz WBLKUHPYIKPOKH-NVXWUHKLSA-N 2 0 347.507 2.016 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)O1 ZINC001436979080 1088678568 /nfs/dbraw/zinc/67/85/68/1088678568.db2.gz OYTVIEKPTGLANC-ZJPYXAASSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437002609 1088765429 /nfs/dbraw/zinc/76/54/29/1088765429.db2.gz LNXCGESYQPHLER-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437058004 1088954868 /nfs/dbraw/zinc/95/48/68/1088954868.db2.gz GFMAYPWZEZMHGG-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437057933 1088955059 /nfs/dbraw/zinc/95/50/59/1088955059.db2.gz DRJLXTDFFNCBPG-GOEBONIOSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001437217988 1089300793 /nfs/dbraw/zinc/30/07/93/1089300793.db2.gz XBWKSEKDNYHNOT-DZGCQCFKSA-N 2 0 336.480 2.150 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001437380207 1089628846 /nfs/dbraw/zinc/62/88/46/1089628846.db2.gz FRSMZALCIYCZKA-DZGCQCFKSA-N 2 0 336.480 2.014 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC001437386717 1089639129 /nfs/dbraw/zinc/63/91/29/1089639129.db2.gz VVNYOUMCBNUHHQ-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1cccnc1C ZINC001437640309 1090158380 /nfs/dbraw/zinc/15/83/80/1090158380.db2.gz AYTXCWNJWWIHJI-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001437739919 1090301650 /nfs/dbraw/zinc/30/16/50/1090301650.db2.gz WSQPLJLOMNXETC-DLBZAZTESA-N 2 0 333.451 2.106 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(OC)cc1 ZINC001437762592 1090339488 /nfs/dbraw/zinc/33/94/88/1090339488.db2.gz HPEYSWBIQORGNW-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cnn(C(C)(C)C)c1 ZINC001437770784 1090351105 /nfs/dbraw/zinc/35/11/05/1090351105.db2.gz XHHRFGAIFHNVIG-UHFFFAOYSA-N 2 0 349.523 2.062 10 0 EEAERP O=C(NCC[N@H+](C/C=C/c1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001437818576 1090412427 /nfs/dbraw/zinc/41/24/27/1090412427.db2.gz VQYMNDLNZNVBOL-QPJJXVBHSA-N 2 0 339.483 2.376 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCc3ccccc32)C1 ZINC001437820564 1090413177 /nfs/dbraw/zinc/41/31/77/1090413177.db2.gz PUSDJVCZKPSXDD-LPHOPBHVSA-N 2 0 327.472 2.206 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001437913247 1090495897 /nfs/dbraw/zinc/49/58/97/1090495897.db2.gz XXGRZMGBMBGFIX-CVEARBPZSA-N 2 0 343.462 2.296 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001438273291 1090757588 /nfs/dbraw/zinc/75/75/88/1090757588.db2.gz SNZAYYJTGOCMHS-HOTGVXAUSA-N 2 0 343.462 2.440 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001438455605 1090964366 /nfs/dbraw/zinc/96/43/66/1090964366.db2.gz ISIILGXXBKGPFS-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001438487172 1090988796 /nfs/dbraw/zinc/98/87/96/1090988796.db2.gz HCZXQKUYFBNGDS-RYQLBKOJSA-N 2 0 349.523 2.036 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001438655386 1091142521 /nfs/dbraw/zinc/14/25/21/1091142521.db2.gz VXCPPYQZHCFYST-GUYCJALGSA-N 2 0 336.480 2.101 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001445400185 1091147281 /nfs/dbraw/zinc/14/72/81/1091147281.db2.gz GNNJXUYTHLKJRV-SJLPKXTDSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445434589 1091193452 /nfs/dbraw/zinc/19/34/52/1091193452.db2.gz LZAAEVFTAXXCQB-HUUCEWRRSA-N 2 0 329.444 2.369 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001438710950 1091225917 /nfs/dbraw/zinc/22/59/17/1091225917.db2.gz GFXMGKZKCZBPPO-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438735571 1091282446 /nfs/dbraw/zinc/28/24/46/1091282446.db2.gz ZGLXNBBYPNKZJT-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001438760278 1091325453 /nfs/dbraw/zinc/32/54/53/1091325453.db2.gz AUJAQQRIGGQKSS-HOTGVXAUSA-N 2 0 336.480 2.040 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001438881546 1091526162 /nfs/dbraw/zinc/52/61/62/1091526162.db2.gz NCRJDUKCABOESA-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001438935339 1091619014 /nfs/dbraw/zinc/61/90/14/1091619014.db2.gz CFPLPUFNEWZWGS-LJQANCHMSA-N 2 0 329.488 2.406 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439110121 1091754743 /nfs/dbraw/zinc/75/47/43/1091754743.db2.gz TVPHUMNXTFHXDI-YRGRVCCFSA-N 2 0 341.858 2.414 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439179757 1091827220 /nfs/dbraw/zinc/82/72/20/1091827220.db2.gz RCKWJHVTSWVOHI-YPMHNXCESA-N 2 0 327.831 2.025 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001439225352 1091871206 /nfs/dbraw/zinc/87/12/06/1091871206.db2.gz UFWLFGDTDQOZSI-DOTOQJQBSA-N 2 0 333.476 2.164 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cnccc1C ZINC001446008011 1091987701 /nfs/dbraw/zinc/98/77/01/1091987701.db2.gz HYSPPGFSOWKUPF-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001439333175 1092022666 /nfs/dbraw/zinc/02/26/66/1092022666.db2.gz MSAGCLSJKMFARQ-SJORKVTESA-N 2 0 332.492 2.201 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CCc1cccs1 ZINC001446061129 1092075226 /nfs/dbraw/zinc/07/52/26/1092075226.db2.gz WWWKDXNRDCJKEL-HZPDHXFCSA-N 2 0 335.517 2.356 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)c(C)n1 ZINC001446170478 1092227024 /nfs/dbraw/zinc/22/70/24/1092227024.db2.gz NBHXLXAKEKUSKB-GOSISDBHSA-N 2 0 344.503 2.310 10 0 EEAERP C[N@H+](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[C@H]1O ZINC001446246656 1092366708 /nfs/dbraw/zinc/36/67/08/1092366708.db2.gz OWIUTPFGXMDBJI-RTBURBONSA-N 2 0 345.487 2.109 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001446307814 1092484990 /nfs/dbraw/zinc/48/49/90/1092484990.db2.gz PGPBZHDQISZRJY-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001446307811 1092485318 /nfs/dbraw/zinc/48/53/18/1092485318.db2.gz PGPBZHDQISZRJY-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)COC)[NH+](CC)CC ZINC001446323623 1092518503 /nfs/dbraw/zinc/51/85/03/1092518503.db2.gz SGCLGURSBKXYGH-FJIDUMEYSA-N 2 0 339.524 2.207 10 0 EEAERP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)COC)[NH+](CC)CC ZINC001446323629 1092518536 /nfs/dbraw/zinc/51/85/36/1092518536.db2.gz SGCLGURSBKXYGH-ZJPYXAASSA-N 2 0 339.524 2.207 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001439857804 1092885149 /nfs/dbraw/zinc/88/51/49/1092885149.db2.gz XLGFECQHPSUNMG-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001439909846 1092977728 /nfs/dbraw/zinc/97/77/28/1092977728.db2.gz AJHSEYWKWMCGTK-HXUWFJFHSA-N 2 0 329.488 2.419 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001440133606 1093198772 /nfs/dbraw/zinc/19/87/72/1093198772.db2.gz GDCVZUAOZLIWNX-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]2C1 ZINC001448467758 1093478965 /nfs/dbraw/zinc/47/89/65/1093478965.db2.gz GDSPGINXHCBMIE-OEYVDSTDSA-N 2 0 348.318 2.474 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001440362731 1093527193 /nfs/dbraw/zinc/52/71/93/1093527193.db2.gz NPZAWJBZYXZGTO-GUDVDZBRSA-N 2 0 344.503 2.186 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001440378081 1093546843 /nfs/dbraw/zinc/54/68/43/1093546843.db2.gz ZNFMUDPTVBKWRA-OVYGPGRDSA-N 2 0 330.476 2.181 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001448578702 1093629720 /nfs/dbraw/zinc/62/97/20/1093629720.db2.gz AHIQJJIWFXMGAP-SJORKVTESA-N 2 0 348.491 2.182 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001448685676 1093750070 /nfs/dbraw/zinc/75/00/70/1093750070.db2.gz RDQRYLICAWCDQV-CZUORRHYSA-N 2 0 339.430 2.386 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[N@H+](C)CCCO)c1 ZINC001440521602 1093773406 /nfs/dbraw/zinc/77/34/06/1093773406.db2.gz UXSIOHMSBWPIIU-IBGZPJMESA-N 2 0 347.503 2.057 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2c(C)noc2C)CC1 ZINC001440605858 1093871586 /nfs/dbraw/zinc/87/15/86/1093871586.db2.gz OJDQPXZVOZOWMZ-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP CC[C@H](C(=O)NC1CC(C[NH2+]Cc2nc(C)c(C)s2)C1)[NH+](C)C ZINC001440759253 1094000827 /nfs/dbraw/zinc/00/08/27/1094000827.db2.gz FLARDUWTIUTMMA-YMAMQOFZSA-N 2 0 338.521 2.085 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC(F)(F)F)CC2 ZINC001449020103 1094024848 /nfs/dbraw/zinc/02/48/48/1094024848.db2.gz TVCXMVAJFPXDEX-UKRRQHHQSA-N 2 0 335.414 2.394 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449021583 1094026999 /nfs/dbraw/zinc/02/69/99/1094026999.db2.gz UZFHAJBYDMFYRZ-PKOBYXMFSA-N 2 0 348.491 2.190 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC001449031601 1094042065 /nfs/dbraw/zinc/04/20/65/1094042065.db2.gz FBHVRFQSKQHDKE-GBESFXJTSA-N 2 0 344.503 2.139 10 0 EEAERP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001440820325 1094072940 /nfs/dbraw/zinc/07/29/40/1094072940.db2.gz YLONPQPWIAXDCW-HOTGVXAUSA-N 2 0 349.523 2.058 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC001449094319 1094104873 /nfs/dbraw/zinc/10/48/73/1094104873.db2.gz XIPLAYUNVYABJG-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)s1 ZINC001440858831 1094120317 /nfs/dbraw/zinc/12/03/17/1094120317.db2.gz LGUAPQUHHLOONX-UHFFFAOYSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccc(CC[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001440940902 1094193527 /nfs/dbraw/zinc/19/35/27/1094193527.db2.gz YHKRTEZCXYAHLN-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001441176626 1094530391 /nfs/dbraw/zinc/53/03/91/1094530391.db2.gz IJNMXHNEMBRDAN-CYBMUJFWSA-N 2 0 331.451 2.200 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)o1 ZINC001441217845 1094583835 /nfs/dbraw/zinc/58/38/35/1094583835.db2.gz YGPKZXXUNKOMOC-HZPDHXFCSA-N 2 0 348.491 2.014 10 0 EEAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001441414472 1094996914 /nfs/dbraw/zinc/99/69/14/1094996914.db2.gz JEZKLOQZTSAVQG-ULQDDVLXSA-N 2 0 339.524 2.016 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC001441417681 1095001903 /nfs/dbraw/zinc/00/19/03/1095001903.db2.gz KVDWAYRZOWCRNQ-JOCQHMNTSA-N 2 0 338.521 2.129 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001441437980 1095051842 /nfs/dbraw/zinc/05/18/42/1095051842.db2.gz IOPBGMIIGJWQSM-VJEPQBNRSA-N 2 0 334.291 2.415 10 0 EEAERP CO[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001441482898 1095155272 /nfs/dbraw/zinc/15/52/72/1095155272.db2.gz JUZGGKBFBZKXJW-ZSYWTGECSA-N 2 0 345.487 2.095 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001441854186 1095946797 /nfs/dbraw/zinc/94/67/97/1095946797.db2.gz FBBVOWOOITXFBP-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001441874974 1095992463 /nfs/dbraw/zinc/99/24/63/1095992463.db2.gz MUMIYBASXPYCCR-QFBILLFUSA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442006660 1096208555 /nfs/dbraw/zinc/20/85/55/1096208555.db2.gz HYGZGCZRXMHTEN-IRXDYDNUSA-N 2 0 347.503 2.410 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001442011224 1096216089 /nfs/dbraw/zinc/21/60/89/1096216089.db2.gz SFPOLKRCAQSCDS-LRDDRELGSA-N 2 0 339.430 2.388 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001442221296 1096516337 /nfs/dbraw/zinc/51/63/37/1096516337.db2.gz VREREENINJUOTE-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nccs1 ZINC001442310685 1096626830 /nfs/dbraw/zinc/62/68/30/1096626830.db2.gz XTNWQKJGMHPYFZ-CABCVRRESA-N 2 0 338.521 2.390 10 0 EEAERP COc1ccc(C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001442619020 1096988810 /nfs/dbraw/zinc/98/88/10/1096988810.db2.gz KIJUKDQWDYJOQD-IBGZPJMESA-N 2 0 347.503 2.364 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001442813511 1097198493 /nfs/dbraw/zinc/19/84/93/1097198493.db2.gz TXQPUOFKLKYPME-RBUKOAKNSA-N 2 0 329.488 2.417 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001442900956 1097303469 /nfs/dbraw/zinc/30/34/69/1097303469.db2.gz JGPKSWMFOJOEHD-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001442904961 1097310266 /nfs/dbraw/zinc/31/02/66/1097310266.db2.gz DGMWPPGGMZQXPZ-KRWDZBQOSA-N 2 0 349.906 2.416 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001442914222 1097322042 /nfs/dbraw/zinc/32/20/42/1097322042.db2.gz QIYIIPGKWDZIAA-KXBFYZLASA-N 2 0 345.462 2.347 10 0 EEAERP C[C@@H]([NH2+]Cc1coc(C2CC2)n1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443123272 1097543558 /nfs/dbraw/zinc/54/35/58/1097543558.db2.gz NJMVXOAIRCGAQM-CQSZACIVSA-N 2 0 348.491 2.220 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001443185866 1097628071 /nfs/dbraw/zinc/62/80/71/1097628071.db2.gz DAGTUIKDKPBEMI-HNNXBMFYSA-N 2 0 338.521 2.216 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001443190278 1097634908 /nfs/dbraw/zinc/63/49/08/1097634908.db2.gz SAYKBFXWDYZZFA-MOPGFXCFSA-N 2 0 344.503 2.155 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001443217798 1097672871 /nfs/dbraw/zinc/67/28/71/1097672871.db2.gz IURWYHKWLWULAL-HHXXYDBFSA-N 2 0 347.478 2.494 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001443276053 1097760978 /nfs/dbraw/zinc/76/09/78/1097760978.db2.gz VPSAZYBOTVTMKN-LJQANCHMSA-N 2 0 329.488 2.419 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1OC1CC1 ZINC001444031058 1098549778 /nfs/dbraw/zinc/54/97/78/1098549778.db2.gz DGRDPTAXLWCOSM-SJORKVTESA-N 2 0 345.487 2.164 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001444146185 1098685267 /nfs/dbraw/zinc/68/52/67/1098685267.db2.gz KDVAKMDNBMXGMH-CXAGYDPISA-N 2 0 343.462 2.248 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001444190040 1098742123 /nfs/dbraw/zinc/74/21/23/1098742123.db2.gz HTOIUJIRDZRJEZ-BZUAXINKSA-N 2 0 336.480 2.401 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCCOC)C1)[NH+](C)C ZINC001479693083 1098759220 /nfs/dbraw/zinc/75/92/20/1098759220.db2.gz UQNYLGAXQIWAQA-SJORKVTESA-N 2 0 327.513 2.114 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001479833300 1099116026 /nfs/dbraw/zinc/11/60/26/1099116026.db2.gz ZPBVJAQQNBYQRS-XJKSGUPXSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cnc(Cl)s2)CCCC1 ZINC001444525827 1099284248 /nfs/dbraw/zinc/28/42/48/1099284248.db2.gz YDBOJQTZGGRXKV-UHFFFAOYSA-N 2 0 344.912 2.267 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)o1 ZINC001480023735 1099506001 /nfs/dbraw/zinc/50/60/01/1099506001.db2.gz PHVSPEJSTHIQSC-OAHLLOKOSA-N 2 0 348.491 2.014 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001480078546 1099622503 /nfs/dbraw/zinc/62/25/03/1099622503.db2.gz URRNWTBOVFJHRE-IAGOWNOFSA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1nccs1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001444760138 1099646102 /nfs/dbraw/zinc/64/61/02/1099646102.db2.gz DHANDRZWBAOCMQ-LSDHHAIUSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)[NH+](C)C ZINC001480157678 1099729537 /nfs/dbraw/zinc/72/95/37/1099729537.db2.gz AZYFENOTGGLKQM-TUVASFSCSA-N 2 0 331.451 2.389 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001444828614 1099775357 /nfs/dbraw/zinc/77/53/57/1099775357.db2.gz PKIYWQZOEUAMPJ-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189650 1099788576 /nfs/dbraw/zinc/78/85/76/1099788576.db2.gz QHOLIPOBQYXYLZ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480297360 1100013053 /nfs/dbraw/zinc/01/30/53/1100013053.db2.gz IQANMRXEDHUZIA-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480317084 1100051448 /nfs/dbraw/zinc/05/14/48/1100051448.db2.gz SPAZXXZDNPHRLM-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]C/C=C\Cl)C12CCC[NH+]1CCC2 ZINC001480352493 1100122255 /nfs/dbraw/zinc/12/22/55/1100122255.db2.gz WTFSIUSUXLXHNH-ZHMISCPASA-N 2 0 325.884 2.338 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]C/C=C/Cl)C12CCC[NH+]1CCC2 ZINC001480352490 1100122377 /nfs/dbraw/zinc/12/23/77/1100122377.db2.gz WTFSIUSUXLXHNH-BOSPYUDASA-N 2 0 325.884 2.338 10 0 EEAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001480393025 1100201005 /nfs/dbraw/zinc/20/10/05/1100201005.db2.gz PDUQAIUJZIKGNQ-FXSYWFLMSA-N 2 0 331.504 2.406 10 0 EEAERP Cc1ccnc(C[NH2+]C2CCC(NC(=O)CCCC[NH+](C)C)CC2)n1 ZINC001480410493 1100226882 /nfs/dbraw/zinc/22/68/82/1100226882.db2.gz LKWZSGZNRIANPN-UHFFFAOYSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001445123010 1100372337 /nfs/dbraw/zinc/37/23/37/1100372337.db2.gz YLASPQCOEDIXOF-IAGOWNOFSA-N 2 0 348.491 2.234 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001480548121 1100383290 /nfs/dbraw/zinc/38/32/90/1100383290.db2.gz IIWJJFHGJPEQLC-HIFRSBDPSA-N 2 0 331.451 2.389 10 0 EEAERP C[C@@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445325815 1100561466 /nfs/dbraw/zinc/56/14/66/1100561466.db2.gz OVONZFVDCRPDQY-GJZGRUSLSA-N 2 0 333.451 2.467 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001495363450 1101079130 /nfs/dbraw/zinc/07/91/30/1101079130.db2.gz NIKLNVAHCCSVMC-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](F)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001496496472 1101088985 /nfs/dbraw/zinc/08/89/85/1101088985.db2.gz SALBFKFJCLXWLH-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001495374741 1101090714 /nfs/dbraw/zinc/09/07/14/1101090714.db2.gz WSULVGJODFOAER-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001495389291 1101108593 /nfs/dbraw/zinc/10/85/93/1101108593.db2.gz CECFRSMDPRXCNT-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001496641829 1101246671 /nfs/dbraw/zinc/24/66/71/1101246671.db2.gz HLIWIFHMVQDFFW-HNNXBMFYSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001446724157 1101295070 /nfs/dbraw/zinc/29/50/70/1101295070.db2.gz DUKCRSNSAOAGDQ-ZIAGYGMSSA-N 2 0 349.441 2.292 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001495720282 1101483023 /nfs/dbraw/zinc/48/30/23/1101483023.db2.gz OREZVSCTICQYDC-ZDUSSCGKSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001495785498 1101595035 /nfs/dbraw/zinc/59/50/35/1101595035.db2.gz KMJKUFSYJNKXRH-CABCVRRESA-N 2 0 343.462 2.250 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]C/C=C\c1ccccc1 ZINC001495785887 1101596368 /nfs/dbraw/zinc/59/63/68/1101596368.db2.gz MEHDQRPLZISPKC-JPBKIQTRSA-N 2 0 329.488 2.384 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ncc(C)o1)C2 ZINC001446926124 1101605452 /nfs/dbraw/zinc/60/54/52/1101605452.db2.gz RNSQWSAIQYPAHC-ULQDDVLXSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001495807806 1101624031 /nfs/dbraw/zinc/62/40/31/1101624031.db2.gz GDMCWDGDQZSZDR-LSDHHAIUSA-N 2 0 331.451 2.250 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001446945801 1101636771 /nfs/dbraw/zinc/63/67/71/1101636771.db2.gz OSFOGXGYSNYSLY-IRXDYDNUSA-N 2 0 349.523 2.131 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ocnc1C ZINC001447041513 1101829062 /nfs/dbraw/zinc/82/90/62/1101829062.db2.gz MPWUYPBVQYOREK-IAGOWNOFSA-N 2 0 348.491 2.280 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H](O)c2ccccc2)CCCC1 ZINC001495963255 1101841338 /nfs/dbraw/zinc/84/13/38/1101841338.db2.gz GMDVILBQDVYSIY-GOSISDBHSA-N 2 0 347.503 2.079 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CC3CC(F)(F)C3)C2)CC1 ZINC001495980645 1101891824 /nfs/dbraw/zinc/89/18/24/1101891824.db2.gz LPALNMRGXJKAMT-UHFFFAOYSA-N 2 0 343.462 2.296 10 0 EEAERP CCC[N@@H+]1CCc2c(CNC(=O)C[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001447158622 1102108551 /nfs/dbraw/zinc/10/85/51/1102108551.db2.gz NDOBDZGSCPYGPG-MRXNPFEDSA-N 2 0 329.488 2.413 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001447210522 1102210502 /nfs/dbraw/zinc/21/05/02/1102210502.db2.gz AXDRSRPESPJMAZ-GDBMZVCRSA-N 2 0 348.516 2.289 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497306922 1102288875 /nfs/dbraw/zinc/28/88/75/1102288875.db2.gz CHVXAWAIOQCOFD-UONOGXRCSA-N 2 0 329.435 2.002 10 0 EEAERP CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383754 1102413239 /nfs/dbraw/zinc/41/32/39/1102413239.db2.gz MLAQZHIGKRVQAU-SZVBFZGTSA-N 2 0 329.488 2.452 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497407035 1102442706 /nfs/dbraw/zinc/44/27/06/1102442706.db2.gz HVQDAPYIKSETPL-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497424131 1102468290 /nfs/dbraw/zinc/46/82/90/1102468290.db2.gz ZOPYQWFRIQAYMC-AWEZNQCLSA-N 2 0 333.411 2.067 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447426238 1102631351 /nfs/dbraw/zinc/63/13/51/1102631351.db2.gz WEEUQYDDWSAAHY-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](Cc3conc3C)C2)C1 ZINC001447436499 1102651906 /nfs/dbraw/zinc/65/19/06/1102651906.db2.gz DBPOEKHEYDTVAB-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)OC ZINC001447557010 1102856765 /nfs/dbraw/zinc/85/67/65/1102856765.db2.gz OWIWZJPPGFULPW-YESZJQIVSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2C)C1)[NH+](C)C ZINC001447818276 1103381751 /nfs/dbraw/zinc/38/17/51/1103381751.db2.gz FZAFFWNKQOUFLO-UYJHFMRCSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494048969 1103425568 /nfs/dbraw/zinc/42/55/68/1103425568.db2.gz UHABPKGZBVRKBH-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3ccc(F)cn3)CCCCC2)C1 ZINC001448232674 1104221437 /nfs/dbraw/zinc/22/14/37/1104221437.db2.gz BRQQXUJWDQWMRH-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480625025 1106785883 /nfs/dbraw/zinc/78/58/83/1106785883.db2.gz VZIKQNFMYLYOES-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480709728 1106931617 /nfs/dbraw/zinc/93/16/17/1106931617.db2.gz MLYDIOIHEQKELC-DLBZAZTESA-N 2 0 336.455 2.078 10 0 EEAERP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001498160358 1107002858 /nfs/dbraw/zinc/00/28/58/1107002858.db2.gz LORYIRFBLYPUDU-WMLDXEAASA-N 2 0 333.451 2.467 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480832589 1107226805 /nfs/dbraw/zinc/22/68/05/1107226805.db2.gz BXWSRNSMYZUUGE-ZWKOTPCHSA-N 2 0 344.503 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCOCC1 ZINC001498299902 1107245173 /nfs/dbraw/zinc/24/51/73/1107245173.db2.gz NFNPEUMYJKRNPW-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001498557100 1107716274 /nfs/dbraw/zinc/71/62/74/1107716274.db2.gz YTGOFAZRDGVMBU-HOTGVXAUSA-N 2 0 336.480 2.357 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001493255410 1107784387 /nfs/dbraw/zinc/78/43/87/1107784387.db2.gz SSXFVAFLFYORNK-QGZVFWFLSA-N 2 0 335.467 2.496 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]Cc1cncs1)c1ccccc1 ZINC001493758906 1108632988 /nfs/dbraw/zinc/63/29/88/1108632988.db2.gz BGRAHAOKAYFDJK-KRWDZBQOSA-N 2 0 346.500 2.384 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@@H]1CC[C@@H](C)O1 ZINC001493870573 1108766255 /nfs/dbraw/zinc/76/62/55/1108766255.db2.gz MKJHKDUQUZBUJC-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460944080 1110329135 /nfs/dbraw/zinc/32/91/35/1110329135.db2.gz NLQBWLCKJATUMO-OALUTQOASA-N 2 0 337.552 2.277 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479457865 1110697595 /nfs/dbraw/zinc/69/75/95/1110697595.db2.gz NOAAKXODIMOPOV-UHOSZYNNSA-N 2 0 346.519 2.351 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(Cc2ccon2)C1 ZINC001499480921 1112312393 /nfs/dbraw/zinc/31/23/93/1112312393.db2.gz KFMRQBPLODXJCZ-SJLPKXTDSA-N 2 0 348.491 2.219 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCCF)C1 ZINC001499482686 1112314485 /nfs/dbraw/zinc/31/44/85/1112314485.db2.gz XFEAYAWFZSJLRJ-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)o1 ZINC001499573447 1112378805 /nfs/dbraw/zinc/37/88/05/1112378805.db2.gz DVAKBRZGTZPMRS-LJQANCHMSA-N 2 0 348.491 2.058 10 0 EEAERP CC(C)=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001500619820 1112982250 /nfs/dbraw/zinc/98/22/50/1112982250.db2.gz BRPKELVRAIPYGN-HNNXBMFYSA-N 2 0 331.451 2.366 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cccs1)C2 ZINC001501011211 1113165953 /nfs/dbraw/zinc/16/59/53/1113165953.db2.gz ZLXFJZUJEWKCTQ-JYJNAYRXSA-N 2 0 335.517 2.211 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)cc1 ZINC001501153232 1113217247 /nfs/dbraw/zinc/21/72/47/1113217247.db2.gz MJBDBXCWBGODHM-FUHWJXTLSA-N 2 0 347.503 2.220 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001501575249 1113388295 /nfs/dbraw/zinc/38/82/95/1113388295.db2.gz XDAVDUAKKFPAHI-NVXWUHKLSA-N 2 0 325.472 2.191 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]Cc3cncc(F)c3)C2)CCC1 ZINC001501574866 1113388313 /nfs/dbraw/zinc/38/83/13/1113388313.db2.gz SNQAOJUPSONQEW-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001501651237 1113416134 /nfs/dbraw/zinc/41/61/34/1113416134.db2.gz MPUHNXOZRBUBAV-ZIDUMWFYSA-N 2 0 327.900 2.442 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)CC1 ZINC001501710136 1113444923 /nfs/dbraw/zinc/44/49/23/1113444923.db2.gz GXUSRNLXJCFTBG-SHTZXODSSA-N 2 0 338.521 2.250 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001502134760 1113609894 /nfs/dbraw/zinc/60/98/94/1113609894.db2.gz AZASUCTWHCPAHH-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001505923306 1114279399 /nfs/dbraw/zinc/27/93/99/1114279399.db2.gz ZDXJMIUAGUTMOT-ZYSHUDEJSA-N 2 0 347.503 2.362 10 0 EEAERP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001506039684 1114365957 /nfs/dbraw/zinc/36/59/57/1114365957.db2.gz YUVSMEBZVNEFQW-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP CCc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]3C2)cc1 ZINC001506806391 1114888397 /nfs/dbraw/zinc/88/83/97/1114888397.db2.gz RQTDWLKSUWLBFH-OWZKRDHZSA-N 2 0 343.515 2.385 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]21 ZINC001506823732 1114896296 /nfs/dbraw/zinc/89/62/96/1114896296.db2.gz XHVKHDUIETZNIZ-LDLYASANSA-N 2 0 347.478 2.292 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)sn1 ZINC001507095826 1115105883 /nfs/dbraw/zinc/10/58/83/1115105883.db2.gz JKBMOAXURGJAQP-CQSZACIVSA-N 2 0 336.505 2.016 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507155047 1115137447 /nfs/dbraw/zinc/13/74/47/1115137447.db2.gz PYJMXRPKYKJJPK-VQIMIIECSA-N 2 0 331.504 2.180 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001507356164 1115219284 /nfs/dbraw/zinc/21/92/84/1115219284.db2.gz OTVQBPOUTWVBIL-AEFFLSMTSA-N 2 0 325.472 2.335 10 0 EEAERP COc1ccc(CC[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001507381446 1115240444 /nfs/dbraw/zinc/24/04/44/1115240444.db2.gz IPKNGYLMUDKOTL-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001507387019 1115245335 /nfs/dbraw/zinc/24/53/35/1115245335.db2.gz WOOOWHGKPCYUJP-SJORKVTESA-N 2 0 339.524 2.255 10 0 EEAERP O=C(NCC[C@@H](Cc1ccccc1)[NH2+]CCF)[C@@]12CC[N@H+](C1)CCC2 ZINC001507389534 1115246591 /nfs/dbraw/zinc/24/65/91/1115246591.db2.gz NINKVPJHJISDBQ-ICSRJNTNSA-N 2 0 347.478 2.149 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508034297 1115396403 /nfs/dbraw/zinc/39/64/03/1115396403.db2.gz WDCGJCGXTVMWTB-JKSUJKDBSA-N 2 0 341.540 2.264 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001508035461 1115397512 /nfs/dbraw/zinc/39/75/12/1115397512.db2.gz HEHAZIZJQAVCRU-HIFRSBDPSA-N 2 0 345.478 2.494 10 0 EEAERP COCCCCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001508216111 1115448344 /nfs/dbraw/zinc/44/83/44/1115448344.db2.gz QOZQZLLRYNKPFQ-UHFFFAOYSA-N 2 0 349.519 2.180 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914876 1124176444 /nfs/dbraw/zinc/17/64/44/1124176444.db2.gz HEIHTEGYKHKKLX-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCc1ccccc1F)C1CC1 ZINC001568015946 1124231143 /nfs/dbraw/zinc/23/11/43/1124231143.db2.gz GLELWFSWBZTUBD-AZUAARDMSA-N 2 0 347.478 2.337 10 0 EEAERP CC(C)(C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccon2)C1)[NH+]1CCCC1 ZINC001568064490 1124268606 /nfs/dbraw/zinc/26/86/06/1124268606.db2.gz KAHXMJBCFSZRLX-INIZCTEOSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)no1 ZINC001568092657 1124296896 /nfs/dbraw/zinc/29/68/96/1124296896.db2.gz YNPSHWPFBMPMEK-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001568145140 1124325671 /nfs/dbraw/zinc/32/56/71/1124325671.db2.gz UIMLDHDQYYEMNF-LJQANCHMSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]Cc1ccon1 ZINC001568372327 1124443549 /nfs/dbraw/zinc/44/35/49/1124443549.db2.gz VMWFOSKWJYIPMD-AEFFLSMTSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001568714157 1124731774 /nfs/dbraw/zinc/73/17/74/1124731774.db2.gz PMAMZDSEOFLYJA-NVXWUHKLSA-N 2 0 336.480 2.170 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568866362 1124891177 /nfs/dbraw/zinc/89/11/77/1124891177.db2.gz SGHKADYVBYOYPG-DDKKJVIOSA-N 2 0 330.476 2.026 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569204632 1125162077 /nfs/dbraw/zinc/16/20/77/1125162077.db2.gz VVGGBRSIJLZRLS-SJLPKXTDSA-N 2 0 349.523 2.051 10 0 EEAERP CC[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCN1CC(F)F ZINC000193001809 529389764 /nfs/dbraw/zinc/38/97/64/529389764.db2.gz DFNAMBLYIRROPY-QGZVFWFLSA-N 2 0 346.510 2.064 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000422792663 240229387 /nfs/dbraw/zinc/22/93/87/240229387.db2.gz RILOMWJEXFNHOI-HSALFYBXSA-N 3 0 348.579 2.447 10 0 EEAERP C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422940931 240301557 /nfs/dbraw/zinc/30/15/57/240301557.db2.gz NVMBUYNWOSCALF-VQIMIIECSA-N 2 0 329.488 2.340 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422836115 240251260 /nfs/dbraw/zinc/25/12/60/240251260.db2.gz ZTPKFIDEMFVORK-NJZAAPMLSA-N 2 0 327.266 2.334 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423890602 240706156 /nfs/dbraw/zinc/70/61/56/240706156.db2.gz AXSSEXAPYQPFPN-AFYVEPGGSA-N 2 0 341.499 2.355 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176139097 207195419 /nfs/dbraw/zinc/19/54/19/207195419.db2.gz RGPWXEUPGKMPRD-MSOLQXFVSA-N 2 0 332.492 2.415 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000190924157 256004014 /nfs/dbraw/zinc/00/40/14/256004014.db2.gz LHXZRBWJUNWVAY-MUYFXNHWSA-N 2 0 340.508 2.135 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000273201763 256276200 /nfs/dbraw/zinc/27/62/00/256276200.db2.gz JZSOBHOXZVHSBK-UHFFFAOYSA-N 2 0 335.467 2.448 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCS(=O)(=O)CC1 ZINC000187209435 533445724 /nfs/dbraw/zinc/44/57/24/533445724.db2.gz GCGJXQIJRXJWMH-CYBMUJFWSA-N 2 0 342.480 2.190 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000119125237 292241145 /nfs/dbraw/zinc/24/11/45/292241145.db2.gz YBCCXAQWUZEKTP-DAWZGUTISA-N 2 0 336.524 2.377 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262828765 152323699 /nfs/dbraw/zinc/32/36/99/152323699.db2.gz QCPKRVIBLSYSEZ-HNNXBMFYSA-N 2 0 327.432 2.169 10 0 EEAERP [NH3+]Cc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000186590342 160076535 /nfs/dbraw/zinc/07/65/35/160076535.db2.gz SBTIJARXHYHWBT-LJQANCHMSA-N 2 0 338.455 2.325 10 0 EEAERP [NH3+]CCCCCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189026921 160134973 /nfs/dbraw/zinc/13/49/73/160134973.db2.gz MYGGQWWDPPXHEQ-RHSMWYFYSA-N 2 0 339.430 2.436 10 0 EEAERP CCCN(Cc1ccc(C)cc1)C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193649438 160184596 /nfs/dbraw/zinc/18/45/96/160184596.db2.gz GALBKAHVLNZGIX-KDURUIRLSA-N 2 0 329.488 2.227 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000246369070 160276310 /nfs/dbraw/zinc/27/63/10/160276310.db2.gz QEPUQLBBBCNDOH-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)[C@H](C)C1 ZINC000246837026 160297031 /nfs/dbraw/zinc/29/70/31/160297031.db2.gz OMSBKAGHTVXTPS-SUMDDJOVSA-N 2 0 338.467 2.365 10 0 EEAERP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000246990688 160304902 /nfs/dbraw/zinc/30/49/02/160304902.db2.gz AXRKHMDSALCAHT-CVEARBPZSA-N 2 0 336.480 2.014 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000248070395 160338026 /nfs/dbraw/zinc/33/80/26/160338026.db2.gz QHXWQMOPUUNCCG-MSOLQXFVSA-N 2 0 330.476 2.073 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000342184045 161046332 /nfs/dbraw/zinc/04/63/32/161046332.db2.gz GAHZGEDQNDIKFS-UHFFFAOYSA-N 2 0 344.503 2.242 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(O)CCOC)CC1 ZINC000344314747 161216627 /nfs/dbraw/zinc/21/66/27/161216627.db2.gz HFXPCDFWIBYTPP-HXUWFJFHSA-N 2 0 349.519 2.096 10 0 EEAERP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](O)C(F)(F)F ZINC000344335117 161218146 /nfs/dbraw/zinc/21/81/46/161218146.db2.gz RCQGLHHKVQFMTE-KGLIPLIRSA-N 2 0 328.338 2.367 10 0 EEAERP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCO1 ZINC000355681408 163268479 /nfs/dbraw/zinc/26/84/79/163268479.db2.gz ZDLIRFHNZQGQRK-PKOBYXMFSA-N 2 0 347.503 2.273 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368615670 166091918 /nfs/dbraw/zinc/09/19/18/166091918.db2.gz QUZAPYIHLQVZGB-IPMKNSEASA-N 2 0 329.488 2.498 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2cn[nH]c2)CC1 ZINC000289826175 275152287 /nfs/dbraw/zinc/15/22/87/275152287.db2.gz MIXRFYVDKGSRFH-UHFFFAOYSA-N 2 0 333.867 2.147 10 0 EEAERP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000418991581 277396256 /nfs/dbraw/zinc/39/62/56/277396256.db2.gz FBUVYKNDYOFXQU-KGLIPLIRSA-N 2 0 345.443 2.143 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](COC)CC(C)C)cn2)CC1 ZINC000360030932 279374443 /nfs/dbraw/zinc/37/44/43/279374443.db2.gz YBQSLFFANUWORE-GOSISDBHSA-N 2 0 334.508 2.374 10 0 EEAERP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cs1 ZINC000261781648 293269199 /nfs/dbraw/zinc/26/91/99/293269199.db2.gz NWJCADROYSWHAF-VYDXJSESSA-N 2 0 340.512 2.295 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)ccc1F ZINC000284301380 311472958 /nfs/dbraw/zinc/47/29/58/311472958.db2.gz YQWIINXSMUEXCS-HZPDHXFCSA-N 2 0 342.480 2.333 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000411480037 312541909 /nfs/dbraw/zinc/54/19/09/312541909.db2.gz WWFNGZOEYKRHCL-SFHVURJKSA-N 2 0 349.523 2.086 10 0 EEAERP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1c(C)nn(C)c1C ZINC000411521471 312546019 /nfs/dbraw/zinc/54/60/19/312546019.db2.gz YRIKDBKGASAOLL-QGZVFWFLSA-N 2 0 349.523 2.067 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412423975 312662053 /nfs/dbraw/zinc/66/20/53/312662053.db2.gz UQDPTUVLNKOWQN-KRWDZBQOSA-N 2 0 344.484 2.168 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417224769 313456244 /nfs/dbraw/zinc/45/62/44/313456244.db2.gz WDJOMIGTVMTKEH-MGPQQGTHSA-N 2 0 346.466 2.039 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418180775 313738500 /nfs/dbraw/zinc/73/85/00/313738500.db2.gz KTBBKCOAOFWMFQ-JCGIZDLHSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000418455535 313818521 /nfs/dbraw/zinc/81/85/21/313818521.db2.gz DKJLHUXWMWKTNK-INIZCTEOSA-N 2 0 340.471 2.419 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418555766 313845470 /nfs/dbraw/zinc/84/54/70/313845470.db2.gz DUIWSUUGWOGYSM-APWZRJJASA-N 2 0 344.503 2.290 10 0 EEAERP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000437526047 315039220 /nfs/dbraw/zinc/03/92/20/315039220.db2.gz OGSACVHWHWXEMX-SJORKVTESA-N 2 0 337.533 2.089 10 0 EEAERP [NH3+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000520373847 316856152 /nfs/dbraw/zinc/85/61/52/316856152.db2.gz QSLPIZAPSVIRAQ-SFHVURJKSA-N 2 0 330.476 2.163 10 0 EEAERP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000527497790 317201196 /nfs/dbraw/zinc/20/11/96/317201196.db2.gz BYMXENLWQCHECM-YESZJQIVSA-N 2 0 330.476 2.493 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536600140 318003486 /nfs/dbraw/zinc/00/34/86/318003486.db2.gz VPGKLPHGLYFRNM-CVEARBPZSA-N 2 0 330.476 2.157 10 0 EEAERP CC(C)[N@H+](C)CC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541857735 318112630 /nfs/dbraw/zinc/11/26/30/318112630.db2.gz UKWHNYCQORHYOV-UHFFFAOYSA-N 2 0 332.492 2.487 10 0 EEAERP CN(CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cc[nH+]cc1 ZINC000541856636 318112670 /nfs/dbraw/zinc/11/26/70/318112670.db2.gz ZFYXEJAJVGVIOF-VQIMIIECSA-N 2 0 342.487 2.383 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808929 318933388 /nfs/dbraw/zinc/93/33/88/318933388.db2.gz ZFXKOXJEZXMPLP-TZIWHRDSSA-N 2 0 337.467 2.296 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000564910722 319126467 /nfs/dbraw/zinc/12/64/67/319126467.db2.gz MFAHVLPLBPRDEY-MRLCAUJQSA-N 2 0 339.524 2.147 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Cc1ccc(F)cc1C ZINC000564988501 319135817 /nfs/dbraw/zinc/13/58/17/319135817.db2.gz ANLHLNCGOKTWKA-JQHSSLGASA-N 2 0 335.467 2.288 10 0 EEAERP Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2scnc2C2CC2)C1=O ZINC000567009153 319339624 /nfs/dbraw/zinc/33/96/24/319339624.db2.gz WPIUMXRGFPLUPY-ZDUSSCGKSA-N 2 0 345.472 2.035 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000570617686 319681215 /nfs/dbraw/zinc/68/12/15/319681215.db2.gz ILVRNTOKFIMTBO-WDSOQIARSA-N 2 0 344.503 2.429 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC(CC[NH3+])CC2)ccc1F ZINC000571768860 319786051 /nfs/dbraw/zinc/78/60/51/319786051.db2.gz KUQJNIDBUZIFNX-UHFFFAOYSA-N 2 0 336.455 2.158 10 0 EEAERP O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000575129884 320089262 /nfs/dbraw/zinc/08/92/62/320089262.db2.gz CDMOFLMLXMIBHD-FQEVSTJZSA-N 2 0 335.451 2.396 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)CC[N@@H+]2C2CC2)c1 ZINC000576416543 320170109 /nfs/dbraw/zinc/17/01/09/320170109.db2.gz CGGIRWFMIZZDSZ-AYOQOUSVSA-N 2 0 343.471 2.041 10 0 EEAERP C[C@H]1C[C@H](CCNC(=O)[C@@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000581806436 324321294 /nfs/dbraw/zinc/32/12/94/324321294.db2.gz IZARDXBXTZNRSG-YTQUADARSA-N 2 0 329.488 2.403 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000582231412 324408046 /nfs/dbraw/zinc/40/80/46/324408046.db2.gz SMKCFRCBENILGX-OTWHNJEPSA-N 2 0 344.503 2.451 10 0 EEAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000045410050 462583828 /nfs/dbraw/zinc/58/38/28/462583828.db2.gz JNCSRPQNQXOHGK-UHFFFAOYSA-N 2 0 334.508 2.131 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113592837 462604418 /nfs/dbraw/zinc/60/44/18/462604418.db2.gz ZSTNHBMPBZQNEN-ZWKOTPCHSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1C[N@@H+](C2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)CCO1 ZINC000155820702 462948158 /nfs/dbraw/zinc/94/81/58/462948158.db2.gz ZLYBQFWYXASTBA-INIZCTEOSA-N 2 0 345.487 2.074 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000156624078 463049870 /nfs/dbraw/zinc/04/98/70/463049870.db2.gz ZZLMRHHNIFHTGV-KRWDZBQOSA-N 2 0 332.492 2.290 10 0 EEAERP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000069418038 463242325 /nfs/dbraw/zinc/24/23/25/463242325.db2.gz LQYZYYQZHCRJPU-UHFFFAOYSA-N 2 0 328.460 2.179 10 0 EEAERP Cc1ccc([C@H](CNC(=O)COC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000568505940 468348080 /nfs/dbraw/zinc/34/80/80/468348080.db2.gz HTBOVUMNVCNFFJ-ABHNRTSZSA-N 2 0 333.476 2.000 10 0 EEAERP C[N@H+](CCC1OCCO1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000124182034 463396053 /nfs/dbraw/zinc/39/60/53/463396053.db2.gz RVSPIAPHLUUAPE-LJQANCHMSA-N 2 0 348.487 2.127 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163275067 463576050 /nfs/dbraw/zinc/57/60/50/463576050.db2.gz BYCHNVBTHPUJAX-GJZGRUSLSA-N 2 0 339.505 2.441 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)n1cccc1 ZINC000522649790 468374073 /nfs/dbraw/zinc/37/40/73/468374073.db2.gz AHQYSZBHETWPCP-ROUUACIJSA-N 2 0 334.508 2.314 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000194135776 463798220 /nfs/dbraw/zinc/79/82/20/463798220.db2.gz SGXVQUVIGCPJEU-GOSISDBHSA-N 2 0 332.492 2.292 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000171589020 463887639 /nfs/dbraw/zinc/88/76/39/463887639.db2.gz XTILKXNCAFUTQT-UGSOOPFHSA-N 2 0 342.430 2.023 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(-c3ccco3)on2)CC1 ZINC000171631311 463896168 /nfs/dbraw/zinc/89/61/68/463896168.db2.gz UNUULAKEHYLHFF-CQSZACIVSA-N 2 0 333.432 2.459 10 0 EEAERP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1F ZINC000261909962 463896460 /nfs/dbraw/zinc/89/64/60/463896460.db2.gz IUOOPFGHJLAYHW-IAOVAPTHSA-N 2 0 326.387 2.090 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000262104771 463947749 /nfs/dbraw/zinc/94/77/49/463947749.db2.gz VVMBUNDILFJNLH-HXUWFJFHSA-N 2 0 329.488 2.323 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000284456024 464197818 /nfs/dbraw/zinc/19/78/18/464197818.db2.gz SVUPOLQJQQHLLL-BHIYHBOVSA-N 2 0 331.504 2.458 10 0 EEAERP CC[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000173272377 464227082 /nfs/dbraw/zinc/22/70/82/464227082.db2.gz HADRTRHUNWOOAH-QAPCUYQASA-N 2 0 348.491 2.057 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478889 464590179 /nfs/dbraw/zinc/59/01/79/464590179.db2.gz HLTGTNOCTIEVFG-HOCLYGCPSA-N 2 0 349.475 2.304 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719997 464609674 /nfs/dbraw/zinc/60/96/74/464609674.db2.gz KWFCBYPQNAOLQT-GDBMZVCRSA-N 2 0 347.459 2.058 10 0 EEAERP CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)C1(C(=O)OC)CCC1 ZINC000272594672 464672370 /nfs/dbraw/zinc/67/23/70/464672370.db2.gz WVQHKTRIJVHAIZ-OAHLLOKOSA-N 2 0 328.416 2.479 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182554372 464682246 /nfs/dbraw/zinc/68/22/46/464682246.db2.gz QESXMGMEHFLZGZ-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+](C2CC2)C1 ZINC000295253970 464761515 /nfs/dbraw/zinc/76/15/15/464761515.db2.gz FKNCBCNWZWDOMN-INIZCTEOSA-N 2 0 345.487 2.183 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccsc1 ZINC000266708867 464794068 /nfs/dbraw/zinc/79/40/68/464794068.db2.gz YKIBSTFPGCONRS-HOTGVXAUSA-N 2 0 334.489 2.007 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)C(=O)NCC[NH+](C)C ZINC000361023322 465711648 /nfs/dbraw/zinc/71/16/48/465711648.db2.gz UWZFAZAKLDMATN-YESZJQIVSA-N 2 0 341.540 2.261 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000366856774 465977700 /nfs/dbraw/zinc/97/77/00/465977700.db2.gz TYFZOUFBNWHUEC-QZTJIDSGSA-N 2 0 348.466 2.212 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000361517608 466065246 /nfs/dbraw/zinc/06/52/46/466065246.db2.gz DSJKHOMBMBIECF-UHFFFAOYSA-N 2 0 340.427 2.241 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000349859119 466278431 /nfs/dbraw/zinc/27/84/31/466278431.db2.gz UPJNNIHWRWTVPP-MRXNPFEDSA-N 2 0 348.491 2.399 10 0 EEAERP CN(C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361847914 466344794 /nfs/dbraw/zinc/34/47/94/466344794.db2.gz FYJPNCUMHOGJIL-SFHVURJKSA-N 2 0 348.466 2.136 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OC)n2)[C@H](C)C1 ZINC000361925635 466413520 /nfs/dbraw/zinc/41/35/20/466413520.db2.gz ITUVEJWOAXEOCP-AEFFLSMTSA-N 2 0 335.492 2.359 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367613960 466448757 /nfs/dbraw/zinc/44/87/57/466448757.db2.gz GOBUVJUDIBWGJT-XOYOTBSWSA-N 2 0 334.460 2.200 10 0 EEAERP COc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000341004408 466506187 /nfs/dbraw/zinc/50/61/87/466506187.db2.gz BDKVUBAEFIOUOT-ZDUSSCGKSA-N 2 0 349.450 2.228 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](c3nccn3C)C2)CC1 ZINC000373060947 466679041 /nfs/dbraw/zinc/67/90/41/466679041.db2.gz WROZVASSTAINHY-KRWDZBQOSA-N 2 0 347.507 2.431 10 0 EEAERP c1cn(-c2ccc(N3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nn2)cn1 ZINC000409430473 466688412 /nfs/dbraw/zinc/68/84/12/466688412.db2.gz VUSBTYLBUSXIFD-QZTJIDSGSA-N 2 0 346.438 2.231 10 0 EEAERP C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423250379 466703560 /nfs/dbraw/zinc/70/35/60/466703560.db2.gz UXFMYACHXLFUPT-KSSFIOAISA-N 2 0 347.484 2.288 10 0 EEAERP C1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423508371 466761598 /nfs/dbraw/zinc/76/15/98/466761598.db2.gz LBAPAIZOHBJHII-VWAQSERHSA-N 3 0 334.552 2.103 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417042043 466762461 /nfs/dbraw/zinc/76/24/61/466762461.db2.gz WGXHBAIZGPWQNT-CEXWTWQISA-N 2 0 342.487 2.217 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417050256 466765814 /nfs/dbraw/zinc/76/58/14/466765814.db2.gz WNYWCHDHAOGPCO-XNHLSEOASA-N 2 0 336.524 2.423 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000375056036 466788822 /nfs/dbraw/zinc/78/88/22/466788822.db2.gz VRJXTMAZZWNVIA-MSOLQXFVSA-N 2 0 346.450 2.132 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000370213689 466799733 /nfs/dbraw/zinc/79/97/33/466799733.db2.gz XGUIOEIUTFPGIN-UHFFFAOYSA-N 2 0 342.487 2.272 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417293578 466825215 /nfs/dbraw/zinc/82/52/15/466825215.db2.gz ZTKXDGCLJHRLTK-IHXKFAGKSA-N 2 0 336.524 2.170 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000417392243 466848971 /nfs/dbraw/zinc/84/89/71/466848971.db2.gz BDYDXSKGROVDHD-INIZCTEOSA-N 2 0 332.492 2.327 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417536891 466878955 /nfs/dbraw/zinc/87/89/55/466878955.db2.gz RKOUIVZWRBRPRO-IAGOWNOFSA-N 2 0 332.492 2.420 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1cccs1 ZINC000417737755 466920572 /nfs/dbraw/zinc/92/05/72/466920572.db2.gz OFDGMZIWUPFDIT-PNBKFKSVSA-N 2 0 348.516 2.134 10 0 EEAERP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417735611 466920732 /nfs/dbraw/zinc/92/07/32/466920732.db2.gz LKGWFLRSBMULFZ-IIAWOOMASA-N 2 0 338.521 2.414 10 0 EEAERP C[C@@H](NC(=O)NCc1ccccc1CN(C)Cc1ccco1)[C@H](C)[NH3+] ZINC000417741463 466921948 /nfs/dbraw/zinc/92/19/48/466921948.db2.gz UMODHYZULFZPPE-LSDHHAIUSA-N 2 0 344.459 2.447 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCc2[nH]cnc2C1 ZINC000370680892 466963141 /nfs/dbraw/zinc/96/31/41/466963141.db2.gz MALSCKTXTXSAQU-HNNXBMFYSA-N 2 0 333.480 2.222 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417986464 467011853 /nfs/dbraw/zinc/01/18/53/467011853.db2.gz GSUNYNXHJNXITQ-QKLQHJQFSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000418597848 467133673 /nfs/dbraw/zinc/13/36/73/467133673.db2.gz QBDSTWWPDWATLA-PKOBYXMFSA-N 2 0 346.519 2.190 10 0 EEAERP C[C@@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418667322 467143316 /nfs/dbraw/zinc/14/33/16/467143316.db2.gz FGYAKSYJDAOBPV-WMZOPIPTSA-N 2 0 332.492 2.420 10 0 EEAERP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418703261 467148485 /nfs/dbraw/zinc/14/84/85/467148485.db2.gz HOXYFTAKQPNMBT-JFIYKMOQSA-N 2 0 332.492 2.418 10 0 EEAERP Cc1cnc([C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000428300023 467220189 /nfs/dbraw/zinc/22/01/89/467220189.db2.gz LDIUDYXNIYLAGU-KRWDZBQOSA-N 2 0 331.508 2.336 10 0 EEAERP O=C(c1ccc(F)c(F)c1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420319958 467354538 /nfs/dbraw/zinc/35/45/38/467354538.db2.gz PSHVZQJENDBNTQ-CQSZACIVSA-N 2 0 337.414 2.112 10 0 EEAERP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCN1 ZINC000383453844 467380600 /nfs/dbraw/zinc/38/06/00/467380600.db2.gz HTGJGTTVIAQHNS-AKHDSKFASA-N 2 0 327.472 2.155 10 0 EEAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000420382335 467387896 /nfs/dbraw/zinc/38/78/96/467387896.db2.gz PRANTTRXRIONHY-UXHICEINSA-N 2 0 348.487 2.300 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)N1CC[NH+](C)CC1 ZINC000453105593 467460912 /nfs/dbraw/zinc/46/09/12/467460912.db2.gz XESBCPNESYMRPE-SJORKVTESA-N 2 0 341.503 2.374 10 0 EEAERP Cc1ccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000415199897 467517061 /nfs/dbraw/zinc/51/70/61/467517061.db2.gz DWMQOPPJALQBIF-DNVCBOLYSA-N 2 0 348.491 2.384 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)[C@H](C)C1 ZINC000436296147 467527477 /nfs/dbraw/zinc/52/74/77/467527477.db2.gz IRCPDLVUUUEIAF-ZJPYXAASSA-N 2 0 340.508 2.445 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(n1)CCCC2 ZINC000442347566 467574284 /nfs/dbraw/zinc/57/42/84/467574284.db2.gz JSFUMWWUDDVQSN-UHFFFAOYSA-N 2 0 346.519 2.306 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)[C@H]2CCOC2)CC1 ZINC000449300341 467629105 /nfs/dbraw/zinc/62/91/05/467629105.db2.gz OGRQBMNZKBLMMK-HOJAQTOUSA-N 2 0 346.515 2.317 10 0 EEAERP O[C@@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)CC1(O)CCC1 ZINC000528503000 467689498 /nfs/dbraw/zinc/68/94/98/467689498.db2.gz JLGTWRNHZGWJON-MRXNPFEDSA-N 2 0 341.455 2.023 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCN2CCC2)CC1 ZINC000514797827 467955118 /nfs/dbraw/zinc/95/51/18/467955118.db2.gz DWSBVXVOXMNCNJ-UHFFFAOYSA-N 2 0 330.520 2.404 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909195 468054214 /nfs/dbraw/zinc/05/42/14/468054214.db2.gz HIZOVMUXGOGCLL-GOEBONIOSA-N 2 0 345.487 2.414 10 0 EEAERP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1)C[NH2+]CC2 ZINC000568050705 468263670 /nfs/dbraw/zinc/26/36/70/468263670.db2.gz BCFIHMAPWXYGJM-HXUWFJFHSA-N 2 0 329.488 2.019 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000591707995 468507726 /nfs/dbraw/zinc/50/77/26/468507726.db2.gz DOSRBQAEUWTAGU-UHFFFAOYSA-N 2 0 339.505 2.270 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000582478434 468545835 /nfs/dbraw/zinc/54/58/35/468545835.db2.gz ZSXHFMKLNGFJFB-POAQFYNOSA-N 2 0 344.503 2.338 10 0 EEAERP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000600706480 468627021 /nfs/dbraw/zinc/62/70/21/468627021.db2.gz FCCQVOKMIITOMB-IRXDYDNUSA-N 2 0 332.444 2.266 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)oc1C ZINC000593322088 468938396 /nfs/dbraw/zinc/93/83/96/468938396.db2.gz KFPMADJNDWKKDG-XYPHTWIQSA-N 2 0 336.432 2.235 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(Cl)o1 ZINC000611715781 469307882 /nfs/dbraw/zinc/30/78/82/469307882.db2.gz HRUDPTVYANBWFX-UHFFFAOYSA-N 2 0 344.887 2.348 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCc2noc3ccccc23)CC[NH2+]CC1 ZINC000596653031 469323140 /nfs/dbraw/zinc/32/31/40/469323140.db2.gz YRYGZDGIXYPPFH-CQSZACIVSA-N 2 0 345.443 2.281 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000625869548 469417924 /nfs/dbraw/zinc/41/79/24/469417924.db2.gz UXTDOAIWEZWNEY-MAUKXSAKSA-N 2 0 346.475 2.423 10 0 EEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000623738195 469750111 /nfs/dbraw/zinc/75/01/11/469750111.db2.gz UORGVFSPRIQHDF-SFHVURJKSA-N 2 0 344.503 2.041 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626930679 469758877 /nfs/dbraw/zinc/75/88/77/469758877.db2.gz GKFZAOLUKBXGPS-QFBILLFUSA-N 2 0 344.503 2.399 10 0 EEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626979728 469775428 /nfs/dbraw/zinc/77/54/28/469775428.db2.gz JAIBYVSKHMBHBE-HDMKZQKVSA-N 2 0 330.476 2.262 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000626994995 469781403 /nfs/dbraw/zinc/78/14/03/469781403.db2.gz NJFHTPLIJNEBHP-FPAYPSAMSA-N 2 0 344.503 2.479 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000627167793 469832048 /nfs/dbraw/zinc/83/20/48/469832048.db2.gz MWTUHVZBNZYVQS-FGTMMUONSA-N 2 0 336.524 2.280 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCCOCC2)CC1 ZINC000627740274 469987617 /nfs/dbraw/zinc/98/76/17/469987617.db2.gz IRDACAAJFCBVAU-IBGZPJMESA-N 2 0 349.519 2.107 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(F)(F)F ZINC000625023439 470061834 /nfs/dbraw/zinc/06/18/34/470061834.db2.gz HELMUMMNHRLWRB-ZIAGYGMSSA-N 2 0 337.430 2.449 10 0 EEAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C[C@H](C)O1 ZINC000631075284 470062209 /nfs/dbraw/zinc/06/22/09/470062209.db2.gz PAQBJZUNMDQVNH-HOTGVXAUSA-N 2 0 334.508 2.278 10 0 EEAERP COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000628279224 470086074 /nfs/dbraw/zinc/08/60/74/470086074.db2.gz AMFVJJHBLCRAAD-CVEARBPZSA-N 2 0 336.476 2.014 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628746199 470148162 /nfs/dbraw/zinc/14/81/62/470148162.db2.gz YUSOJAQSPPSGHS-INIZCTEOSA-N 2 0 333.476 2.089 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765990 470301521 /nfs/dbraw/zinc/30/15/21/470301521.db2.gz MTJFZYWBEUCARR-BJLQDIEVSA-N 2 0 327.472 2.157 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765991 470301716 /nfs/dbraw/zinc/30/17/16/470301716.db2.gz MTJFZYWBEUCARR-NSHGMRRFSA-N 2 0 327.472 2.157 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC[C@@H]2C)CC[N@@H+]1C ZINC000648806694 470354319 /nfs/dbraw/zinc/35/43/19/470354319.db2.gz UNCUNWYZQRKMDO-YQVWRLOYSA-N 2 0 329.488 2.450 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC000646004929 470490262 /nfs/dbraw/zinc/49/02/62/470490262.db2.gz YKEVPVGDXNBULW-UHFFFAOYSA-N 2 0 333.451 2.395 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287856 470876757 /nfs/dbraw/zinc/87/67/57/470876757.db2.gz WAIAEQQSAUJEFC-SJORKVTESA-N 2 0 333.524 2.144 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901905 471012001 /nfs/dbraw/zinc/01/20/01/471012001.db2.gz XGDVXYWBLJNBDA-MAUKXSAKSA-N 2 0 331.460 2.488 10 0 EEAERP c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657402647 471126827 /nfs/dbraw/zinc/12/68/27/471126827.db2.gz WHRZBJHUWJRYGC-PBHICJAKSA-N 2 0 330.457 2.412 10 0 EEAERP c1cn2c(cccc2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657536252 471163974 /nfs/dbraw/zinc/16/39/74/471163974.db2.gz ZDUBRQLAPMMGLP-UHFFFAOYSA-N 2 0 328.460 2.315 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000657574542 471174059 /nfs/dbraw/zinc/17/40/59/471174059.db2.gz YUHDZYYDPNITTD-HNNXBMFYSA-N 2 0 330.476 2.302 10 0 EEAERP FCC1(CF)CC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657823708 471238375 /nfs/dbraw/zinc/23/83/75/471238375.db2.gz AEDYOWRGCKALNB-UHFFFAOYSA-N 2 0 337.458 2.482 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000658109685 471266930 /nfs/dbraw/zinc/26/69/30/471266930.db2.gz USVBSSJFRQKEAP-JKSUJKDBSA-N 2 0 335.492 2.380 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663501697 471401749 /nfs/dbraw/zinc/40/17/49/471401749.db2.gz BIFGPVFFLXCQGW-UKRRQHHQSA-N 2 0 337.464 2.384 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659031876 471474855 /nfs/dbraw/zinc/47/48/55/471474855.db2.gz DGJXKKOXXICTJX-MAUKXSAKSA-N 2 0 346.475 2.153 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000655805771 471489739 /nfs/dbraw/zinc/48/97/39/471489739.db2.gz RZPAHQDAAAPQEV-XEYPJELSSA-N 2 0 331.504 2.378 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000666755647 471524106 /nfs/dbraw/zinc/52/41/06/471524106.db2.gz BTTRZVLKECXWCL-KURKYZTESA-N 2 0 338.540 2.479 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655976116 471564627 /nfs/dbraw/zinc/56/46/27/471564627.db2.gz ZGBQNQKNNLZYMW-RBUKOAKNSA-N 2 0 344.503 2.216 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1 ZINC000656126970 471598572 /nfs/dbraw/zinc/59/85/72/471598572.db2.gz FILULFHEKDRDIE-VHDGCEQUSA-N 2 0 343.393 2.032 10 0 EEAERP Cc1ccc([C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000659447369 471632516 /nfs/dbraw/zinc/63/25/16/471632516.db2.gz ICEARFIUMILRPU-CVEARBPZSA-N 2 0 336.480 2.398 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659445644 471632705 /nfs/dbraw/zinc/63/27/05/471632705.db2.gz JJVCQTVOTLBVFH-KBAYOESNSA-N 2 0 332.492 2.162 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000664865025 471883202 /nfs/dbraw/zinc/88/32/02/471883202.db2.gz FATSKSCHYMCJJK-BPQIPLTHSA-N 2 0 332.492 2.413 10 0 EEAERP CC(CC[NH+]1CC[C@@H]2COC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030276 471962868 /nfs/dbraw/zinc/96/28/68/471962868.db2.gz MWWQQHDQUQELOG-ZRNYENFQSA-N 2 0 336.520 2.339 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000665259656 471983070 /nfs/dbraw/zinc/98/30/70/471983070.db2.gz MIJDLPRMALDCRD-OVLVRJBISA-N 2 0 347.478 2.495 10 0 EEAERP C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291799 471991964 /nfs/dbraw/zinc/99/19/64/471991964.db2.gz LKEDACUJMRYVAS-VIFPVBQESA-N 2 0 326.853 2.467 10 0 EEAERP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000662255195 472043871 /nfs/dbraw/zinc/04/38/71/472043871.db2.gz AYZQFGBYBHIYHI-RDJZCZTQSA-N 2 0 331.460 2.247 10 0 EEAERP c1ccc(C[N@H+]2CCN(C[C@@H]3C[NH2+]CCO3)CC23CCCCC3)cc1 ZINC000662261840 472047776 /nfs/dbraw/zinc/04/77/76/472047776.db2.gz BFGNXUGJCHVJPP-FQEVSTJZSA-N 2 0 343.515 2.496 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662485805 472124784 /nfs/dbraw/zinc/12/47/84/472124784.db2.gz JTLSMCUSSRBEPU-VQIMIIECSA-N 2 0 327.472 2.411 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000662732304 472226719 /nfs/dbraw/zinc/22/67/19/472226719.db2.gz AIYGXYFAYBICNA-INIZCTEOSA-N 2 0 336.480 2.238 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1([NH3+])CC1 ZINC000662779108 472248546 /nfs/dbraw/zinc/24/85/46/472248546.db2.gz PSMSGRZIFRVINQ-UHFFFAOYSA-N 2 0 343.393 2.477 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784366 472266694 /nfs/dbraw/zinc/26/66/94/472266694.db2.gz CEYZRWOLABJSPC-LJQANCHMSA-N 2 0 343.475 2.118 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000662868351 472283960 /nfs/dbraw/zinc/28/39/60/472283960.db2.gz DPWOAMQANCUJOA-ROUUACIJSA-N 2 0 343.427 2.013 10 0 EEAERP C[C@@H](CCNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000673771266 485525054 /nfs/dbraw/zinc/52/50/54/485525054.db2.gz GMIFHFDOGPEJFI-WMZOPIPTSA-N 2 0 332.492 2.290 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000121637408 490623769 /nfs/dbraw/zinc/62/37/69/490623769.db2.gz YENLFMHPGIZCJP-HNNXBMFYSA-N 2 0 328.464 2.435 10 0 EEAERP CC(C)[C@H](Cn1cccn1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000453119769 535044933 /nfs/dbraw/zinc/04/49/33/535044933.db2.gz MRTZVNLSMUMZLG-IBGZPJMESA-N 2 0 347.551 2.448 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000230116261 535232952 /nfs/dbraw/zinc/23/29/52/535232952.db2.gz FBUNIAVFLFWQKH-HZPDHXFCSA-N 2 0 334.464 2.198 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000730731627 577052777 /nfs/dbraw/zinc/05/27/77/577052777.db2.gz IDJUTJWHDBRJOU-BZUAXINKSA-N 2 0 326.554 2.198 10 0 EEAERP C[NH+]1CCC(CNC(=S)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000760488046 577663871 /nfs/dbraw/zinc/66/38/71/577663871.db2.gz WOMDKQLSNLWKLP-KRWDZBQOSA-N 2 0 338.565 2.153 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccns1 ZINC000924875620 681583279 /nfs/dbraw/zinc/58/32/79/681583279.db2.gz DCZHYBOPRQQUJS-OAHLLOKOSA-N 2 0 331.489 2.401 10 0 EEAERP [NH2+]=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)NC1CCCC1 ZINC000397696880 684713671 /nfs/dbraw/zinc/71/36/71/684713671.db2.gz SJYNUTQTOBKBDL-UHFFFAOYSA-N 2 0 330.476 2.070 10 0 EEAERP CC(C)n1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000925158386 687124478 /nfs/dbraw/zinc/12/44/78/687124478.db2.gz YXOBAVDOBBVFIL-KRWDZBQOSA-N 2 0 348.539 2.460 10 0 EEAERP C[NH+](C)CCOc1ccc(-c2noc([C@@H]3C[NH2+]CC3(C)C)n2)cc1 ZINC000904088145 694288589 /nfs/dbraw/zinc/28/85/89/694288589.db2.gz NPTNMMOVQMYWKD-HNNXBMFYSA-N 2 0 330.432 2.390 10 0 EEAERP Cc1cc([C@@H]([NH3+])Cc2nc(CC3CC[NH2+]CC3)no2)cc(Cl)n1 ZINC000905316008 694599637 /nfs/dbraw/zinc/59/96/37/694599637.db2.gz YQGSGQUQIDXMKF-ZDUSSCGKSA-N 2 0 335.839 2.211 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CC=C(Cl)Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001485684714 1191896912 /nfs/dbraw/zinc/89/69/12/1191896912.db2.gz MCOJPYGRWHHPJE-MRVWCRGKSA-N 2 0 346.302 2.132 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cn1 ZINC001485723423 1191910475 /nfs/dbraw/zinc/91/04/75/1191910475.db2.gz DHSPKMGONUCZDN-ZBFHGGJFSA-N 2 0 347.507 2.205 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493582509 1191942101 /nfs/dbraw/zinc/94/21/01/1191942101.db2.gz CMWSYQXRTXSOJA-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001272726221 1192359810 /nfs/dbraw/zinc/35/98/10/1192359810.db2.gz BKKHOPZGEYPSML-KTTLNQMLSA-N 2 0 339.911 2.345 10 0 EEAERP CCc1nocc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001266244015 1176009970 /nfs/dbraw/zinc/00/99/70/1176009970.db2.gz HBWMRRPQTFUUDQ-KRWDZBQOSA-N 2 0 348.491 2.194 10 0 EEAERP Cc1nc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cn2ccnc2)oc1C ZINC001266247134 1176018382 /nfs/dbraw/zinc/01/83/82/1176018382.db2.gz DBYSJFQOELICDI-MRXNPFEDSA-N 2 0 345.447 2.049 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001266632528 1177028547 /nfs/dbraw/zinc/02/85/47/1177028547.db2.gz IEHJNAYSEYYYMX-RBSFLKMASA-N 2 0 331.451 2.391 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266758733 1177365715 /nfs/dbraw/zinc/36/57/15/1177365715.db2.gz ZEBNHUGQZLEABI-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266865558 1177619888 /nfs/dbraw/zinc/61/98/88/1177619888.db2.gz XNFZGRIUFNMBCI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001691178410 1177678354 /nfs/dbraw/zinc/67/83/54/1177678354.db2.gz PKRXZVHZMUUUHD-UFYCRDLUSA-N 2 0 343.515 2.445 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCF)C1 ZINC001266877143 1177686587 /nfs/dbraw/zinc/68/65/87/1177686587.db2.gz QVYGNFVNHGSGLO-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)s1 ZINC001691360249 1177969213 /nfs/dbraw/zinc/96/92/13/1177969213.db2.gz SKAKKDCRJJWXAQ-ZBFHGGJFSA-N 2 0 336.505 2.016 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267108135 1178262610 /nfs/dbraw/zinc/26/26/10/1178262610.db2.gz KWSFDMXKEHDMBO-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC001267173899 1178407582 /nfs/dbraw/zinc/40/75/82/1178407582.db2.gz DDUKMAQDVOWTGG-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CC[N@@H+](C)C2)oc1C ZINC001267181820 1178442569 /nfs/dbraw/zinc/44/25/69/1178442569.db2.gz OGDSMRITNYVBQP-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2ccnc2C1)CCC1CC1 ZINC001267284895 1178681644 /nfs/dbraw/zinc/68/16/44/1178681644.db2.gz VYVSWUPLLIKYPK-QGZVFWFLSA-N 2 0 332.492 2.462 10 0 EEAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267373566 1178888536 /nfs/dbraw/zinc/88/85/36/1178888536.db2.gz FFQPQPUSSLAHOR-IBGZPJMESA-N 2 0 329.488 2.139 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cccc(OC)c2C)CC[N@@H+]1C ZINC001267374534 1178895493 /nfs/dbraw/zinc/89/54/93/1178895493.db2.gz FQVVZPWTMYUTNG-ZWKOTPCHSA-N 2 0 347.503 2.282 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1Cl)C(=O)CCC[NH+](C)C ZINC001267419561 1178985545 /nfs/dbraw/zinc/98/55/45/1178985545.db2.gz NYSZQAUXBLVOGO-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC(C)(C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1)[NH+]1CCCCC1 ZINC001267521874 1179254283 /nfs/dbraw/zinc/25/42/83/1179254283.db2.gz WUDJSGFLCVNNSB-GOSISDBHSA-N 2 0 347.503 2.080 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001481058092 1179649731 /nfs/dbraw/zinc/64/97/31/1179649731.db2.gz KNVQQFRGGKXVKT-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(F)cc1 ZINC001481151543 1179929762 /nfs/dbraw/zinc/92/97/62/1179929762.db2.gz JPFMUVPVVQLDFN-UHFFFAOYSA-N 2 0 333.451 2.250 10 0 EEAERP CC(C)[C@H](C(=O)NCC1C[NH+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001267697903 1180196414 /nfs/dbraw/zinc/19/64/14/1180196414.db2.gz SEDCXBMGXPOOIJ-CQSZACIVSA-N 2 0 337.430 2.353 10 0 EEAERP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267749485 1180400818 /nfs/dbraw/zinc/40/08/18/1180400818.db2.gz QUITZDWGFUPIBZ-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481302426 1180963151 /nfs/dbraw/zinc/96/31/51/1180963151.db2.gz LXBPCQQFASDTAK-WBVHZDCISA-N 2 0 335.467 2.494 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC001481363507 1181133425 /nfs/dbraw/zinc/13/34/25/1181133425.db2.gz OCNHOKKUMNYHQA-CABCVRRESA-N 2 0 343.393 2.480 10 0 EEAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001481498405 1181570575 /nfs/dbraw/zinc/57/05/75/1181570575.db2.gz PSEYAUWWCNNPIE-IRXDYDNUSA-N 2 0 332.492 2.334 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001268114954 1181759544 /nfs/dbraw/zinc/75/95/44/1181759544.db2.gz VLFLAXRCUYTKQH-ZBFHGGJFSA-N 2 0 325.522 2.313 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOCC(C)C)C1 ZINC001268150479 1181837177 /nfs/dbraw/zinc/83/71/77/1181837177.db2.gz ISBJRWFMQWSQEH-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)no1 ZINC001268162736 1181878184 /nfs/dbraw/zinc/87/81/84/1181878184.db2.gz OEMOUZPHUYUJRO-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCC1 ZINC001691500450 1182067264 /nfs/dbraw/zinc/06/72/64/1182067264.db2.gz PCDRSAGBVZAYJC-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC001481655372 1182138981 /nfs/dbraw/zinc/13/89/81/1182138981.db2.gz YFGXMGMIJZUZER-OAHLLOKOSA-N 2 0 341.455 2.323 10 0 EEAERP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCC(F)(F)F)CCC1 ZINC001481672645 1182186441 /nfs/dbraw/zinc/18/64/41/1182186441.db2.gz ADTWXYBQGDFJKH-KBPBESRZSA-N 2 0 347.425 2.488 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481707308 1182266273 /nfs/dbraw/zinc/26/62/73/1182266273.db2.gz DHJLAEVCJINOOH-LJQANCHMSA-N 2 0 347.503 2.367 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001268375519 1182390178 /nfs/dbraw/zinc/39/01/78/1182390178.db2.gz PFICZVSIZJAHNI-LBPRGKRZSA-N 2 0 341.390 2.395 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccn(C2CCCC2)n1)NC(=O)C[NH+]1CCCC1 ZINC001268422479 1182587355 /nfs/dbraw/zinc/58/73/55/1182587355.db2.gz CMWXVLNNRXQEIH-MRXNPFEDSA-N 2 0 347.507 2.078 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268427371 1182595787 /nfs/dbraw/zinc/59/57/87/1182595787.db2.gz WNILCEOZFKNOSS-LPHOPBHVSA-N 2 0 347.503 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268450395 1182634496 /nfs/dbraw/zinc/63/44/96/1182634496.db2.gz VUZHRVYZSUBIAW-MRXNPFEDSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@@H](CNC(=O)Cc1ncc[nH]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001481861008 1182826925 /nfs/dbraw/zinc/82/69/25/1182826925.db2.gz HCCRZBNQXYAMHG-YJBOKZPZSA-N 2 0 340.471 2.242 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ns1 ZINC001481880815 1182863972 /nfs/dbraw/zinc/86/39/72/1182863972.db2.gz HMFZFACEJOWEFR-GDBMZVCRSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268489647 1182977483 /nfs/dbraw/zinc/97/74/83/1182977483.db2.gz MAXCUCMNPAADHA-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)Cc1cncn1C ZINC001268491370 1182984829 /nfs/dbraw/zinc/98/48/29/1182984829.db2.gz OGOMSYCRPAGVHV-UHFFFAOYSA-N 2 0 332.423 2.048 10 0 EEAERP CCN(CC[NH2+]Cc1sccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001268498098 1183015437 /nfs/dbraw/zinc/01/54/37/1183015437.db2.gz KXLDNVVEIZIECT-UHFFFAOYSA-N 2 0 329.897 2.435 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001481977075 1183066123 /nfs/dbraw/zinc/06/61/23/1183066123.db2.gz MTMWTEFMCMSHLB-FUHWJXTLSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001481983886 1183084893 /nfs/dbraw/zinc/08/48/93/1183084893.db2.gz WKGVDIBGOKHHPM-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CC=C(Cl)Cl)CC1 ZINC001482061298 1183270860 /nfs/dbraw/zinc/27/08/60/1183270860.db2.gz CCJNQJJGVCSFTD-GFCCVEGCSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1ncc2n1C[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccsc1)CC2 ZINC001268580815 1183364504 /nfs/dbraw/zinc/36/45/04/1183364504.db2.gz CPOVEXPHYZKKIZ-RXYHWBRQSA-N 2 0 344.484 2.278 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001482158582 1183477916 /nfs/dbraw/zinc/47/79/16/1183477916.db2.gz GEPQTTYQJCAQBQ-WMZOPIPTSA-N 2 0 331.504 2.487 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001268607946 1183515632 /nfs/dbraw/zinc/51/56/32/1183515632.db2.gz KOCCNLIJKSGVCW-KZSQQDEKSA-N 2 0 343.462 2.416 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001268864317 1183773914 /nfs/dbraw/zinc/77/39/14/1183773914.db2.gz FSOPODSOBLMZJD-MRXNPFEDSA-N 2 0 329.448 2.176 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1cccc(C)c1)[NH+](C)C ZINC001270136691 1184876579 /nfs/dbraw/zinc/87/65/79/1184876579.db2.gz PJCHMYICYBFVQQ-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)s1 ZINC001270174932 1184899104 /nfs/dbraw/zinc/89/91/04/1184899104.db2.gz UTYRTUIPVCLOPL-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001271216785 1186088222 /nfs/dbraw/zinc/08/82/22/1186088222.db2.gz PZCBJKBERIEMLX-CYBMUJFWSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)on1 ZINC001271575551 1186322592 /nfs/dbraw/zinc/32/25/92/1186322592.db2.gz HHUUBSZMUZSVAH-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482699992 1187678123 /nfs/dbraw/zinc/67/81/23/1187678123.db2.gz XZRLKRFAONPFPW-ROUUACIJSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482865892 1187785432 /nfs/dbraw/zinc/78/54/32/1187785432.db2.gz NZJVQCDJXLCBAT-AWEZNQCLSA-N 2 0 344.459 2.154 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)C[N@H+](C)C1CCC1 ZINC001482931780 1187841651 /nfs/dbraw/zinc/84/16/51/1187841651.db2.gz RMMZWFACJDGFHJ-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP CCN(CC[NH2+]CCC[C@@H]1CCOC1)C(=O)c1cccc2nccn21 ZINC001482938637 1187859971 /nfs/dbraw/zinc/85/99/71/1187859971.db2.gz GQKSYCQCTHMHDM-MRXNPFEDSA-N 2 0 344.459 2.203 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482962141 1187895047 /nfs/dbraw/zinc/89/50/47/1187895047.db2.gz DMHQYZUTRDRMGU-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001483019095 1188006485 /nfs/dbraw/zinc/00/64/85/1188006485.db2.gz VCYXQVLFJVPCEY-VQTKUKTRSA-N 2 0 329.435 2.168 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1C ZINC001483046208 1188256098 /nfs/dbraw/zinc/25/60/98/1188256098.db2.gz CSTWQTVFXVWIEE-QWNKOJSDSA-N 2 0 345.487 2.250 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001691619581 1188320276 /nfs/dbraw/zinc/32/02/76/1188320276.db2.gz SOKYPJQTNXGYDX-UHFFFAOYSA-N 2 0 331.504 2.462 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483057569 1188333267 /nfs/dbraw/zinc/33/32/67/1188333267.db2.gz QCPPWHRKHUURDJ-IPLHWJFFSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483096837 1188471098 /nfs/dbraw/zinc/47/10/98/1188471098.db2.gz FKHQOZSGISZZJM-RLPXRCBWSA-N 2 0 330.476 2.025 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001272828917 1193566595 /nfs/dbraw/zinc/56/65/95/1193566595.db2.gz FGJWNXRSALPZKJ-CYBMUJFWSA-N 2 0 338.521 2.174 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483143540 1188745214 /nfs/dbraw/zinc/74/52/14/1188745214.db2.gz UMLIOQHBXASHEB-OAHLLOKOSA-N 2 0 332.492 2.329 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)co1 ZINC001272883038 1193591789 /nfs/dbraw/zinc/59/17/89/1193591789.db2.gz XRYRCDYQGBCHJU-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160731 1188975168 /nfs/dbraw/zinc/97/51/68/1188975168.db2.gz IHODHHXOZKVPHV-VKJFTORMSA-N 2 0 335.467 2.481 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1c(F)cccc1F)NC(=O)C[NH+]1CCCC1 ZINC001483194877 1189078257 /nfs/dbraw/zinc/07/82/57/1189078257.db2.gz PMSCRXHPRIKWGW-CHWSQXEVSA-N 2 0 325.403 2.216 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001485854833 1193617403 /nfs/dbraw/zinc/61/74/03/1193617403.db2.gz HSKXBOSQWNEIOG-DYVFJYSZSA-N 2 0 339.430 2.038 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)n1 ZINC001483234615 1189725014 /nfs/dbraw/zinc/72/50/14/1189725014.db2.gz WEKNKFNJZGHGLQ-HNNXBMFYSA-N 2 0 332.492 2.284 10 0 EEAERP C[C@@H]1[C@@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000905647329 1189846938 /nfs/dbraw/zinc/84/69/38/1189846938.db2.gz DFKCNVPHUBQZPY-QAPCUYQASA-N 2 0 346.544 2.208 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1 ZINC001485945014 1193654208 /nfs/dbraw/zinc/65/42/08/1193654208.db2.gz SKVPTBFFIKYFDN-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483278362 1190302287 /nfs/dbraw/zinc/30/22/87/1190302287.db2.gz BKJUFNLSKTWNGL-SFHVURJKSA-N 2 0 331.504 2.445 10 0 EEAERP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CCF)c1cnn(-c2ccncc2)c1 ZINC001483441582 1190481934 /nfs/dbraw/zinc/48/19/34/1190481934.db2.gz IMNAAPGYMCQKDC-YOEHRIQHSA-N 2 0 345.422 2.115 10 0 EEAERP CN(CCC[NH2+]Cc1ccccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001483475402 1190496575 /nfs/dbraw/zinc/49/65/75/1190496575.db2.gz FIXFQMMNJAOCET-UHFFFAOYSA-N 2 0 333.451 2.392 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccsc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001483561458 1190550721 /nfs/dbraw/zinc/55/07/21/1190550721.db2.gz RPJXMRXSRHKPAE-DLBZAZTESA-N 2 0 333.501 2.074 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001483583416 1190570274 /nfs/dbraw/zinc/57/02/74/1190570274.db2.gz PEWNANQQLIHSCY-IEZWGBDMSA-N 2 0 344.503 2.105 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001272534203 1190870237 /nfs/dbraw/zinc/87/02/37/1190870237.db2.gz NICBJTHZYQWEKC-WMZOPIPTSA-N 2 0 348.491 2.104 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3)C2)CC1 ZINC001272553768 1190876136 /nfs/dbraw/zinc/87/61/36/1190876136.db2.gz BBWKBCLOUJYUMG-SFHVURJKSA-N 2 0 329.488 2.357 10 0 EEAERP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483805348 1191051623 /nfs/dbraw/zinc/05/16/23/1191051623.db2.gz HMBJVNGOOGMFAC-FBVQUNGASA-N 2 0 339.524 2.111 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483849072 1191085073 /nfs/dbraw/zinc/08/50/73/1191085073.db2.gz XWWPZOHLCYHJQT-WMZOPIPTSA-N 2 0 325.472 2.002 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483938472 1191124334 /nfs/dbraw/zinc/12/43/34/1191124334.db2.gz XEVUJTXFCWTZLT-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001484069942 1191191063 /nfs/dbraw/zinc/19/10/63/1191191063.db2.gz CWKBIHQEUOZBTN-ICSRJNTNSA-N 2 0 345.462 2.489 10 0 EEAERP CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484198643 1191269665 /nfs/dbraw/zinc/26/96/65/1191269665.db2.gz KMXNCLOWGOFYEI-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001484198294 1191269852 /nfs/dbraw/zinc/26/98/52/1191269852.db2.gz IDHXETBYJJYWCM-UKRRQHHQSA-N 2 0 342.434 2.311 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001484378468 1191321358 /nfs/dbraw/zinc/32/13/58/1191321358.db2.gz YAOHMUGXZLJUQI-YXGRLTDGSA-N 2 0 329.488 2.336 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1ccnc1 ZINC001484467653 1191372462 /nfs/dbraw/zinc/37/24/62/1191372462.db2.gz MYTQIWIGPZPNPL-QZTJIDSGSA-N 2 0 348.491 2.155 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001484537032 1191404069 /nfs/dbraw/zinc/40/40/69/1191404069.db2.gz YNMFECNXQGIYOD-HBMPCGTBSA-N 2 0 327.900 2.297 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001484541802 1191406720 /nfs/dbraw/zinc/40/67/20/1191406720.db2.gz RHYQWWSDDKYXQY-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001484551870 1191410527 /nfs/dbraw/zinc/41/05/27/1191410527.db2.gz QYQMYIIACKJLDH-SFHVURJKSA-N 2 0 344.503 2.286 10 0 EEAERP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001484680945 1191464999 /nfs/dbraw/zinc/46/49/99/1191464999.db2.gz SBDRPPYXHFISPZ-OSFIAYCASA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001484724139 1191485277 /nfs/dbraw/zinc/48/52/77/1191485277.db2.gz NSSXSXZCZAGKIT-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484812672 1191533524 /nfs/dbraw/zinc/53/35/24/1191533524.db2.gz CPLGFQJSMNHRMC-MRXNPFEDSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001484978174 1191604995 /nfs/dbraw/zinc/60/49/95/1191604995.db2.gz AFQVTHBEWXDWLU-WBVHZDCISA-N 2 0 349.523 2.059 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167142 1191677136 /nfs/dbraw/zinc/67/71/36/1191677136.db2.gz UNVXETFEMUPNLT-OLZOCXBDSA-N 2 0 336.505 2.063 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197771 1191682568 /nfs/dbraw/zinc/68/25/68/1191682568.db2.gz FKMARHNLLKLUDJ-HZPDHXFCSA-N 2 0 332.492 2.105 10 0 EEAERP CCOCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001485243529 1191707068 /nfs/dbraw/zinc/70/70/68/1191707068.db2.gz WIZHJTSTIWOOLJ-ABHNRTSZSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)Cc1cc(F)ccc1F ZINC001485319574 1191733618 /nfs/dbraw/zinc/73/36/18/1191733618.db2.gz NKTWNLIYGHQJAS-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1 ZINC001485356239 1191760610 /nfs/dbraw/zinc/76/06/10/1191760610.db2.gz BAPUZNABBGTTDI-AEFFLSMTSA-N 2 0 332.492 2.281 10 0 EEAERP Cc1nc(C)c(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001485387442 1191774358 /nfs/dbraw/zinc/77/43/58/1191774358.db2.gz GPLLEWCWFUFTIL-GFCCVEGCSA-N 2 0 326.510 2.037 10 0 EEAERP COC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485513646 1191816432 /nfs/dbraw/zinc/81/64/32/1191816432.db2.gz UQTJBTOQIWEPHO-HUUCEWRRSA-N 2 0 339.524 2.111 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001486182148 1193718794 /nfs/dbraw/zinc/71/87/94/1193718794.db2.gz XLLHLSXQBADBFQ-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C2)CC[N@@H+]1C ZINC001486241596 1193767426 /nfs/dbraw/zinc/76/74/26/1193767426.db2.gz XTDOFCBNGQJEMW-IBSDAUMUSA-N 2 0 327.900 2.296 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C ZINC001486302581 1193806880 /nfs/dbraw/zinc/80/68/80/1193806880.db2.gz FNMUZXUHNRUHKZ-IAGOWNOFSA-N 2 0 341.540 2.094 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486515018 1194035000 /nfs/dbraw/zinc/03/50/00/1194035000.db2.gz QEOXVJMVQIMAFJ-UHFFFAOYSA-N 2 0 333.451 2.334 10 0 EEAERP O=C(NCC1([NH2+]CCOCC2CCC2)CCC1)C12CCC[NH+]1CCC2 ZINC001273113678 1194395366 /nfs/dbraw/zinc/39/53/66/1194395366.db2.gz JSXBLIACBHCMFH-UHFFFAOYSA-N 2 0 349.519 2.060 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCCC3(CN(C(=O)C[N@@H+](C)C(C)C)C3)C2)o1 ZINC001410182237 1197589429 /nfs/dbraw/zinc/58/94/29/1197589429.db2.gz UPJCNBNADWFEEX-UHFFFAOYSA-N 2 0 348.491 2.056 10 0 EEAERP Cc1nc(CN(C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)oc1C ZINC001410265441 1197648186 /nfs/dbraw/zinc/64/81/86/1197648186.db2.gz ZLTOSSPXBHCRRG-UHFFFAOYSA-N 2 0 336.480 2.054 10 0 EEAERP C[C@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)[NH2+]C[C@@H]1CCOC1 ZINC001410426521 1197864488 /nfs/dbraw/zinc/86/44/88/1197864488.db2.gz LDVWYZSFAPGUGG-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872028762 1198030816 /nfs/dbraw/zinc/03/08/16/1198030816.db2.gz RGNZSTTWCMIMTI-QZTJIDSGSA-N 2 0 332.492 2.128 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410489529 1198042918 /nfs/dbraw/zinc/04/29/18/1198042918.db2.gz UFTUPCGBXOGXNR-DZGCQCFKSA-N 2 0 339.430 2.243 10 0 EEAERP CO[C@H]1C[C@@H](C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000872144952 1198052870 /nfs/dbraw/zinc/05/28/70/1198052870.db2.gz JGBYOXSPHZTMIO-KDYLLFBJSA-N 2 0 332.492 2.481 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145876 1198053894 /nfs/dbraw/zinc/05/38/94/1198053894.db2.gz XXVNLYJETGLQRT-IEBWSBKVSA-N 2 0 346.471 2.500 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865616904 1198299717 /nfs/dbraw/zinc/29/97/17/1198299717.db2.gz MBMLXPTUUALQNN-UPJWGTAASA-N 2 0 335.439 2.465 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)CC1(C)C ZINC000865814300 1198388617 /nfs/dbraw/zinc/38/86/17/1198388617.db2.gz IIODKZSJYNWJBZ-KRWDZBQOSA-N 2 0 330.476 2.174 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1ccccn1)CC2 ZINC001410901475 1198557862 /nfs/dbraw/zinc/55/78/62/1198557862.db2.gz KFEXVGOUCLQNEG-PKOBYXMFSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1ccncc1C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001410905354 1198563059 /nfs/dbraw/zinc/56/30/59/1198563059.db2.gz PKNXBZAVASHTQD-ICSRJNTNSA-N 2 0 344.503 2.345 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)CC1 ZINC001410984044 1198660379 /nfs/dbraw/zinc/66/03/79/1198660379.db2.gz LRFPNQSAKQZDJV-AWEZNQCLSA-N 2 0 343.462 2.200 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C(C)(C)C1 ZINC001410986258 1198664717 /nfs/dbraw/zinc/66/47/17/1198664717.db2.gz OADOYUSVJIBTNP-SFHVURJKSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)C[NH+](C)C(C)C ZINC001411201931 1198903975 /nfs/dbraw/zinc/90/39/75/1198903975.db2.gz PXAYNVDUKCFQOE-KRWDZBQOSA-N 2 0 327.513 2.065 10 0 EEAERP COC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001411259574 1198992462 /nfs/dbraw/zinc/99/24/62/1198992462.db2.gz HXYSSXZWGPXLIR-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810194521 1199348298 /nfs/dbraw/zinc/34/82/98/1199348298.db2.gz DJVYGKGQSKYDLR-RVKKMQEKSA-N 2 0 327.488 2.436 10 0 EEAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870895448 1200939253 /nfs/dbraw/zinc/93/92/53/1200939253.db2.gz BUIRACQSKIMUCI-JTJHWIPRSA-N 2 0 341.499 2.484 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990011 1200993280 /nfs/dbraw/zinc/99/32/80/1200993280.db2.gz TVWVWOBOHZVRPO-QFBILLFUSA-N 2 0 339.524 2.003 10 0 EEAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(C)c1 ZINC000866411352 1201510830 /nfs/dbraw/zinc/51/08/30/1201510830.db2.gz KBIZICSEKNDZEC-SJORKVTESA-N 2 0 347.503 2.455 10 0 EEAERP Cc1cncc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000866720347 1201589237 /nfs/dbraw/zinc/58/92/37/1201589237.db2.gz JLQFFJWMSMNQFL-ZCNNSNEGSA-N 2 0 325.456 2.458 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@H]1C[NH+](C)C ZINC000881019973 1201624090 /nfs/dbraw/zinc/62/40/90/1201624090.db2.gz HCAXHAFTXGHIRN-ZIAGYGMSSA-N 2 0 333.467 2.256 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1F ZINC001274133351 1204395160 /nfs/dbraw/zinc/39/51/60/1204395160.db2.gz KHIBMGDQDVPHFD-XFHJGTJQSA-N 2 0 333.451 2.115 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC001274439270 1205038329 /nfs/dbraw/zinc/03/83/29/1205038329.db2.gz RQTNDJKUDXHXTN-PXPVJAHISA-N 2 0 345.487 2.193 10 0 EEAERP CC[N@H+](C)CCC(=O)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F ZINC001274489872 1205056059 /nfs/dbraw/zinc/05/60/59/1205056059.db2.gz NGHNIHRVXVNYDL-WRFKIARRSA-N 2 0 333.451 2.417 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001274578393 1205085987 /nfs/dbraw/zinc/08/59/87/1205085987.db2.gz HYRYDBGRPDJRDW-XQFNTFOASA-N 2 0 349.425 2.166 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F ZINC001274578841 1205086342 /nfs/dbraw/zinc/08/63/42/1205086342.db2.gz OULQBOQQHORFFK-DJYNDVHFSA-N 2 0 329.435 2.170 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1C[NH2+]CCCCCF ZINC001274997164 1205228142 /nfs/dbraw/zinc/22/81/42/1205228142.db2.gz OZIABIYMXIXUPD-ZWKOTPCHSA-N 2 0 339.499 2.439 10 0 EEAERP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001275517171 1205392660 /nfs/dbraw/zinc/39/26/60/1205392660.db2.gz UBBCYDONWZEVKE-HZPDHXFCSA-N 2 0 347.507 2.042 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001275601412 1205439461 /nfs/dbraw/zinc/43/94/61/1205439461.db2.gz BTBSIRLXNOXUBE-AQEOSJORSA-N 2 0 339.524 2.111 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001275710005 1205493384 /nfs/dbraw/zinc/49/33/84/1205493384.db2.gz NXUCUIQHBPJVIN-KRWDZBQOSA-N 2 0 333.467 2.243 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275768709 1205519198 /nfs/dbraw/zinc/51/91/98/1205519198.db2.gz PXZDELWZYNLJOD-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925495472 1205540383 /nfs/dbraw/zinc/54/03/83/1205540383.db2.gz YPGJXFKSOCUVBK-IKGGRYGDSA-N 2 0 336.501 2.217 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001276007282 1205631492 /nfs/dbraw/zinc/63/14/92/1205631492.db2.gz OOHJDJQUONSQNH-SJLPKXTDSA-N 2 0 346.519 2.483 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001276048018 1205750981 /nfs/dbraw/zinc/75/09/81/1205750981.db2.gz LAPIBLRYHAWDHK-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC001276259006 1205859022 /nfs/dbraw/zinc/85/90/22/1205859022.db2.gz QVLVZGJBXASACD-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CO[C@H]1C ZINC000924644098 1206009466 /nfs/dbraw/zinc/00/94/66/1206009466.db2.gz SFLBBXKOEZGDLC-QGZVKYPTSA-N 2 0 331.504 2.378 10 0 EEAERP C[C@@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924965595 1206055907 /nfs/dbraw/zinc/05/59/07/1206055907.db2.gz YFMAXMGYWFCMAU-GJYPPUQNSA-N 2 0 346.494 2.322 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924966872 1206056347 /nfs/dbraw/zinc/05/63/47/1206056347.db2.gz QOFCYABUOZDPGG-ICSRJNTNSA-N 2 0 330.520 2.410 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925395065 1206106163 /nfs/dbraw/zinc/10/61/63/1206106163.db2.gz AUDYEYJHPBDEFK-OAHLLOKOSA-N 2 0 334.464 2.233 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cn2)CC1 ZINC000925555492 1206127357 /nfs/dbraw/zinc/12/73/57/1206127357.db2.gz CAPPGEMCUUOBRE-ZWKOTPCHSA-N 3 0 345.535 2.219 10 0 EEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809238 1206155981 /nfs/dbraw/zinc/15/59/81/1206155981.db2.gz COAIQWRCLSAXOH-WIYYLYMNSA-N 3 0 344.547 2.492 10 0 EEAERP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809195 1206156167 /nfs/dbraw/zinc/15/61/67/1206156167.db2.gz BJMFBLORKBFWAE-MRXNPFEDSA-N 2 0 325.460 2.041 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839135 1206159156 /nfs/dbraw/zinc/15/91/56/1206159156.db2.gz GDKKNGNLNWLAHE-VBSBHUPXSA-N 3 0 327.472 2.364 10 0 EEAERP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841331 1206159309 /nfs/dbraw/zinc/15/93/09/1206159309.db2.gz OHFHSCVAPZUJEQ-WIBUTAKZSA-N 2 0 341.455 2.183 10 0 EEAERP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853574 1206161230 /nfs/dbraw/zinc/16/12/30/1206161230.db2.gz PVJAWAXXCJPLLO-ZBFHGGJFSA-N 2 0 334.435 2.422 10 0 EEAERP C[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[C@@H]1C[NH3+] ZINC000925951206 1206173810 /nfs/dbraw/zinc/17/38/10/1206173810.db2.gz DLXHVDYKGKTZLF-LSDHHAIUSA-N 2 0 334.464 2.076 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc2c1OCO2)C(=O)NCC[NH+](C)C ZINC000925954352 1206174203 /nfs/dbraw/zinc/17/42/03/1206174203.db2.gz MQTZPEVUODSHAE-HOCLYGCPSA-N 2 0 349.475 2.158 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000927701661 1206292863 /nfs/dbraw/zinc/29/28/63/1206292863.db2.gz UVYDVLCFAHFRBI-AOIWGVFYSA-N 2 0 336.524 2.234 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccccc1 ZINC000929712550 1206495800 /nfs/dbraw/zinc/49/58/00/1206495800.db2.gz WCZZBDYBQAWTSP-IBGZPJMESA-N 2 0 347.503 2.297 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOC1CCSCC1 ZINC000930059572 1206532178 /nfs/dbraw/zinc/53/21/78/1206532178.db2.gz FAYILHMHSNRVGK-OIISXLGYSA-N 2 0 328.522 2.082 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H]2CCCC3(CCC3)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136949 1206537086 /nfs/dbraw/zinc/53/70/86/1206537086.db2.gz PUXPFAMKQOJGJD-GUDVDZBRSA-N 2 0 335.536 2.436 10 0 EEAERP C[C@H](O)[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931083300 1206605491 /nfs/dbraw/zinc/60/54/91/1206605491.db2.gz JPFKNWCSXFFHMF-VDGAXYAQSA-N 2 0 346.515 2.351 10 0 EEAERP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000931482003 1207393069 /nfs/dbraw/zinc/39/30/69/1207393069.db2.gz YLZXICCTQGMVOU-UHFFFAOYSA-N 2 0 326.444 2.032 10 0 EEAERP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000717997943 1211685464 /nfs/dbraw/zinc/68/54/64/1211685464.db2.gz KFWVPWSHQOVQOF-RBUKOAKNSA-N 2 0 331.504 2.383 10 0 EEAERP CON1CCC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000718021401 1211702766 /nfs/dbraw/zinc/70/27/66/1211702766.db2.gz QIVLIYPRGKCSNZ-UHFFFAOYSA-N 2 0 347.503 2.019 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720829282 1215965792 /nfs/dbraw/zinc/96/57/92/1215965792.db2.gz CDQRSPRLUHMTIM-YOUFYPILSA-N 2 0 341.499 2.355 10 0 EEAERP C1CO[C@H]([C@H]2C[C@@H](c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)CC[NH2+]2)C1 ZINC000900017246 1233978096 /nfs/dbraw/zinc/97/80/96/1233978096.db2.gz ZZJUAIOMAYTIGC-NDZFUPFFSA-N 2 0 332.448 2.082 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC000900417564 1234335910 /nfs/dbraw/zinc/33/59/10/1234335910.db2.gz INTINNVRIXSTRB-SJLPKXTDSA-N 2 0 333.476 2.495 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccccc1 ZINC000900556346 1234480487 /nfs/dbraw/zinc/48/04/87/1234480487.db2.gz BPJYGVSGZLFBSM-OXJNMPFZSA-N 2 0 347.503 2.079 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902746507 1238381754 /nfs/dbraw/zinc/38/17/54/1238381754.db2.gz IWXVTSFAFYDXTI-LMMKCTJWSA-N 2 0 331.504 2.242 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379569 1238494308 /nfs/dbraw/zinc/49/43/08/1238494308.db2.gz JZBPMRZPSVQXOQ-KDOFPFPSSA-N 2 0 333.451 2.203 10 0 EEAERP CC(=O)NCC1CCC([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903379883 1240348771 /nfs/dbraw/zinc/34/87/71/1240348771.db2.gz ZXNVCNYZQCQDHQ-KVZIAJEVSA-N 2 0 332.492 2.359 10 0 EEAERP C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444689 1240490913 /nfs/dbraw/zinc/49/09/13/1240490913.db2.gz USOGPEBJPUFNGM-SXLOBPIMSA-N 2 0 331.504 2.337 10 0 EEAERP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903497097 1240677744 /nfs/dbraw/zinc/67/77/44/1240677744.db2.gz PNJKFHSIYYGENV-VQIMIIECSA-N 2 0 347.503 2.145 10 0 EEAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755695 1241846712 /nfs/dbraw/zinc/84/67/12/1241846712.db2.gz KOEYGQNQRWZYHX-SQGPQFPESA-N 2 0 340.471 2.269 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(OC3CCCC3)CC2)cnn1C ZINC000903889650 1242345282 /nfs/dbraw/zinc/34/52/82/1242345282.db2.gz UVWQEEQIJGNRFZ-INIZCTEOSA-N 2 0 334.508 2.270 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cnn1C ZINC000903896226 1242374116 /nfs/dbraw/zinc/37/41/16/1242374116.db2.gz UIMNKJQUXWWICO-APWZRJJASA-N 2 0 327.476 2.386 10 0 EEAERP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903927466 1242528395 /nfs/dbraw/zinc/52/83/95/1242528395.db2.gz YKZKOCYPFFYXPR-BFYDXBDKSA-N 2 0 335.496 2.134 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC[C@H]2CCc3ccccc3N2)cnn1C ZINC000903932472 1242552785 /nfs/dbraw/zinc/55/27/85/1242552785.db2.gz RWJDHHAGFKSCCZ-QFBILLFUSA-N 2 0 341.503 2.253 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cnn1C ZINC000903937194 1242581173 /nfs/dbraw/zinc/58/11/73/1242581173.db2.gz DSMOZTCFVSKSAE-BEFAXECRSA-N 2 0 346.450 2.138 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001490902874 1254374867 /nfs/dbraw/zinc/37/48/67/1254374867.db2.gz SNKVPLORQLOLRK-KZNAEPCWSA-N 2 0 330.476 2.001 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCOC(C)C)CC[N@@H+]1C ZINC001491250644 1258844518 /nfs/dbraw/zinc/84/45/18/1258844518.db2.gz NOTYPYRVUHFIML-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491287629 1258906150 /nfs/dbraw/zinc/90/61/50/1258906150.db2.gz OPKQDPFFJHWHTL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001491476707 1259126813 /nfs/dbraw/zinc/12/68/13/1259126813.db2.gz BJCOTDRXCKHFDC-UGSOOPFHSA-N 2 0 348.491 2.293 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267900004 1276821711 /nfs/dbraw/zinc/82/17/11/1276821711.db2.gz SAYGTRDELWPHDV-SFHVURJKSA-N 2 0 344.503 2.204 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnn4ccccc34)cc2)C1 ZINC000850357877 1277197140 /nfs/dbraw/zinc/19/71/40/1277197140.db2.gz XBWAIUIGLURSRB-LJQANCHMSA-N 2 0 336.439 2.191 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001489001972 1290325358 /nfs/dbraw/zinc/32/53/58/1290325358.db2.gz ZRLYMSRLQYPOCM-NVXWUHKLSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)c1cccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)n1 ZINC001489287384 1290491712 /nfs/dbraw/zinc/49/17/12/1290491712.db2.gz SFLHVGSZIRLLQZ-QAPCUYQASA-N 2 0 332.492 2.236 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCc1ccccc1Cl ZINC001489286171 1290492061 /nfs/dbraw/zinc/49/20/61/1290492061.db2.gz BOUMVQQWUPCQKJ-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP CCN(CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1ncccn1 ZINC001490348740 1291168955 /nfs/dbraw/zinc/16/89/55/1291168955.db2.gz HFOXDPQOHDODJO-QGZVFWFLSA-N 2 0 347.507 2.069 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001490448755 1291315628 /nfs/dbraw/zinc/31/56/28/1291315628.db2.gz DJDHMTGFTRLJFS-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCCCF)C1 ZINC001490549769 1291422767 /nfs/dbraw/zinc/42/27/67/1291422767.db2.gz GLTRTZZONLAPAA-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000851786936 1291832423 /nfs/dbraw/zinc/83/24/23/1291832423.db2.gz IUIQKSIPAJGWPH-CABCVRRESA-N 2 0 336.413 2.377 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000851786939 1291833731 /nfs/dbraw/zinc/83/37/31/1291833731.db2.gz IUIQKSIPAJGWPH-LSDHHAIUSA-N 2 0 336.413 2.377 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)[C@H](C)C2)cc1C ZINC000852745902 1292183309 /nfs/dbraw/zinc/18/33/09/1292183309.db2.gz ACKQBOCKBBJACR-MJGOQNOKSA-N 2 0 329.488 2.335 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000861567838 1295459450 /nfs/dbraw/zinc/45/94/50/1295459450.db2.gz QBHKWDOQXBCGLG-QAPCUYQASA-N 2 0 336.524 2.471 10 0 EEAERP CCC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276725431 1296946854 /nfs/dbraw/zinc/94/68/54/1296946854.db2.gz HTNPHZWNAIYGKJ-QOLCZQBVSA-N 2 0 333.520 2.369 10 0 EEAERP C[NH+](C)C1(C)CCN(C/C=C\CN2CCC(C)([NH+](C)C)CC2)CC1 ZINC000931355721 1297153976 /nfs/dbraw/zinc/15/39/76/1297153976.db2.gz WQKDIKCGTHMEMQ-FPLPWBNLSA-N 2 0 336.568 2.375 10 0 EEAERP CCOc1cccc(C[N@H+](C)C[C@]2(O)CCOC3(CC[NH2+]CC3)C2)c1 ZINC000409420046 1298007751 /nfs/dbraw/zinc/00/77/51/1298007751.db2.gz VZCOODSCDOLLLJ-IBGZPJMESA-N 2 0 348.487 2.181 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001277335354 1302478635 /nfs/dbraw/zinc/47/86/35/1302478635.db2.gz MZRIBGZBDCPGFE-YJBOKZPZSA-N 2 0 346.519 2.415 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001277748227 1304328804 /nfs/dbraw/zinc/32/88/04/1304328804.db2.gz MWNBWMUKDDWFOU-HOCLYGCPSA-N 2 0 344.459 2.262 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491561563 1304829053 /nfs/dbraw/zinc/82/90/53/1304829053.db2.gz YWRBOJPVEHDLLF-LPHOPBHVSA-N 2 0 344.503 2.473 10 0 EEAERP CCCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277925297 1305124793 /nfs/dbraw/zinc/12/47/93/1305124793.db2.gz ZDCVOVBSASPDSK-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001277947814 1305246045 /nfs/dbraw/zinc/24/60/45/1305246045.db2.gz PPPAEWDZLUGFKV-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCCC(C)(C)C ZINC001278017024 1305696615 /nfs/dbraw/zinc/69/66/15/1305696615.db2.gz GZFFBYCHWNLHBG-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP COCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001278972923 1318887565 /nfs/dbraw/zinc/88/75/65/1318887565.db2.gz LFKLMZMZLUKHMP-HZPDHXFCSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001264729025 1322793417 /nfs/dbraw/zinc/79/34/17/1322793417.db2.gz ZXDFWDILIFOXKE-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1noc(C)c1C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001264986163 1322834466 /nfs/dbraw/zinc/83/44/66/1322834466.db2.gz AXQVBTWGOJHCMR-QGZVFWFLSA-N 2 0 336.480 2.102 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cncc(C)c1 ZINC001265139768 1322943516 /nfs/dbraw/zinc/94/35/16/1322943516.db2.gz VAXGHHZRCUZMJC-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP CCc1onc(C)c1C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001265156430 1322954664 /nfs/dbraw/zinc/95/46/64/1322954664.db2.gz YYVNFVRUSWPHLP-KRWDZBQOSA-N 2 0 348.491 2.110 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001265459549 1323166251 /nfs/dbraw/zinc/16/62/51/1323166251.db2.gz DKJMDLHYVPIKDU-SFHVURJKSA-N 2 0 345.487 2.132 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001265470360 1323171337 /nfs/dbraw/zinc/17/13/37/1323171337.db2.gz FXARLKYZQUMHAJ-FHWLQOOXSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001265494441 1323182822 /nfs/dbraw/zinc/18/28/22/1323182822.db2.gz OYLDQWLUBPBYSF-IHRRRGAJSA-N 2 0 335.414 2.298 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001265502966 1323186380 /nfs/dbraw/zinc/18/63/80/1323186380.db2.gz DOOWDNSLHGZVLR-SHTZXODSSA-N 2 0 338.883 2.204 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001266029657 1323580514 /nfs/dbraw/zinc/58/05/14/1323580514.db2.gz VMGAAZWVRBLORI-WOJBJXKFSA-N 2 0 343.515 2.399 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(F)c1F ZINC001266070076 1323624828 /nfs/dbraw/zinc/62/48/28/1323624828.db2.gz MLHRDHVGEOABHB-MRXNPFEDSA-N 2 0 339.430 2.387 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001266074982 1323630766 /nfs/dbraw/zinc/63/07/66/1323630766.db2.gz HJRAMBYRFPXSTO-JKSUJKDBSA-N 2 0 325.472 2.239 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccc(F)cn1)C1CC1 ZINC001266144938 1323716023 /nfs/dbraw/zinc/71/60/23/1323716023.db2.gz FVDAZSOETFCVED-GOSISDBHSA-N 2 0 348.466 2.176 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001276640731 1324923507 /nfs/dbraw/zinc/92/35/07/1324923507.db2.gz FQUNKRNVPSNOAI-IRXDYDNUSA-N 2 0 335.517 2.259 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001282231019 1325657769 /nfs/dbraw/zinc/65/77/69/1325657769.db2.gz STJVAMKKPAVBPM-HOTGVXAUSA-N 2 0 335.467 2.337 10 0 EEAERP COCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001282462548 1325726983 /nfs/dbraw/zinc/72/69/83/1325726983.db2.gz WAOPEXZMBFSFKS-CRAIPNDOSA-N 2 0 345.503 2.062 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001282606725 1325750985 /nfs/dbraw/zinc/75/09/85/1325750985.db2.gz BITYXISMEBRZTB-ARFHVFGLSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001283192897 1325951230 /nfs/dbraw/zinc/95/12/30/1325951230.db2.gz WCGDFEYNWPXEFL-SJLPKXTDSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001283213864 1325957696 /nfs/dbraw/zinc/95/76/96/1325957696.db2.gz IMPBHXCJDFLKPG-AWEZNQCLSA-N 2 0 338.521 2.392 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001284131929 1326425884 /nfs/dbraw/zinc/42/58/84/1326425884.db2.gz OFLFAHAUAHQSBU-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001284347220 1326513039 /nfs/dbraw/zinc/51/30/39/1326513039.db2.gz DPEQVTKZZGYRIM-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC1=CCCCC1 ZINC001284658327 1326649842 /nfs/dbraw/zinc/64/98/42/1326649842.db2.gz VMQWIAUIXUVTCC-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284874937 1326754924 /nfs/dbraw/zinc/75/49/24/1326754924.db2.gz RUTCMIBUAKMQJY-IEBWSBKVSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001491603158 1330200682 /nfs/dbraw/zinc/20/06/82/1330200682.db2.gz RIYXWMTWOJBTRY-NVXWUHKLSA-N 2 0 332.492 2.249 10 0 EEAERP CC(C)C[NH2+]CCc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001491902248 1330297208 /nfs/dbraw/zinc/29/72/08/1330297208.db2.gz MTWDRZKAFWLZHI-LJQANCHMSA-N 2 0 331.504 2.433 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001492128800 1330981373 /nfs/dbraw/zinc/98/13/73/1330981373.db2.gz FYGQBHDVFRSXIW-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001316689124 1331340219 /nfs/dbraw/zinc/34/02/19/1331340219.db2.gz SGKGZQMVJNDYFW-WBVHZDCISA-N 2 0 348.491 2.123 10 0 EEAERP Cc1ccccc1OCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316832189 1331354182 /nfs/dbraw/zinc/35/41/82/1331354182.db2.gz WLRHBGIHWVUWPS-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP C[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001316854973 1331477567 /nfs/dbraw/zinc/47/75/67/1331477567.db2.gz QFSGZPUBWYDRLF-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1ocnc1C ZINC001316903286 1331969380 /nfs/dbraw/zinc/96/93/80/1331969380.db2.gz IDQCCOSIAWAYNC-IRXDYDNUSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)CC1 ZINC001317084533 1332073649 /nfs/dbraw/zinc/07/36/49/1332073649.db2.gz ONYACLBBKVYVTP-JOCQHMNTSA-N 2 0 335.414 2.298 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001317120318 1332086813 /nfs/dbraw/zinc/08/68/13/1332086813.db2.gz AUNLDSNXPLMJMH-XDNAFOTISA-N 2 0 337.508 2.057 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001317197411 1332126512 /nfs/dbraw/zinc/12/65/12/1332126512.db2.gz UVEDGODWRLFWOY-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2ccccn2)CC1 ZINC001317221060 1332142045 /nfs/dbraw/zinc/14/20/45/1332142045.db2.gz TVAWWRXXHWGVSG-UHFFFAOYSA-N 2 0 332.492 2.331 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317301095 1332170175 /nfs/dbraw/zinc/17/01/75/1332170175.db2.gz VBCNDZPCWGUEBH-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317339389 1332185676 /nfs/dbraw/zinc/18/56/76/1332185676.db2.gz SEICTZGARGPVOU-LPHOPBHVSA-N 2 0 339.499 2.437 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001317412139 1332218588 /nfs/dbraw/zinc/21/85/88/1332218588.db2.gz JBWJPUQQECAGNY-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cn1)[NH+]1CCCCCC1 ZINC001317637506 1332341412 /nfs/dbraw/zinc/34/14/12/1332341412.db2.gz ZRELDGUQYMIAGJ-HNNXBMFYSA-N 2 0 336.455 2.033 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317972370 1332454805 /nfs/dbraw/zinc/45/48/05/1332454805.db2.gz DXVVPNHTHRKNQX-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318168205 1332481768 /nfs/dbraw/zinc/48/17/68/1332481768.db2.gz ASAMWERATPQLPG-LJQANCHMSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]C/C=C/Cl)NC(=O)C[NH+]1CCCC1 ZINC001318757654 1332589297 /nfs/dbraw/zinc/58/92/97/1332589297.db2.gz IQWQFYYTEWXGIA-KIBVIPRGSA-N 2 0 327.900 2.489 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001318805728 1332601712 /nfs/dbraw/zinc/60/17/12/1332601712.db2.gz PCQWWDHPMSLMHT-FUHWJXTLSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc2cccnc21)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320370993 1332869542 /nfs/dbraw/zinc/86/95/42/1332869542.db2.gz JBXOOZMXLHGQFP-MAUKXSAKSA-N 2 0 340.471 2.313 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423854 1332880221 /nfs/dbraw/zinc/88/02/21/1332880221.db2.gz WUEVPTXTPFPZRL-JXXFODFXSA-N 2 0 343.515 2.500 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001320422455 1332880259 /nfs/dbraw/zinc/88/02/59/1332880259.db2.gz QFAVEQHFBMYBNK-ZYSHUDEJSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@@H](C[N@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)C[NH+]1CCCC1 ZINC001322298402 1333243380 /nfs/dbraw/zinc/24/33/80/1333243380.db2.gz LLXZMFWZOJIOMD-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322358529 1333253412 /nfs/dbraw/zinc/25/34/12/1333253412.db2.gz HHYDSMDGJMRTNW-RTBURBONSA-N 2 0 347.503 2.273 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001322694797 1333309355 /nfs/dbraw/zinc/30/93/55/1333309355.db2.gz VKSXJFIWKFSAOO-QGZVFWFLSA-N 2 0 346.519 2.485 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327082391 1334217790 /nfs/dbraw/zinc/21/77/90/1334217790.db2.gz SEAVYCFTOYXETR-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCOCC)CC1 ZINC001327128360 1334228938 /nfs/dbraw/zinc/22/89/38/1334228938.db2.gz BAEJVGKQBBBYBS-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCC1([NH2+]CCCCOC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327456278 1334295817 /nfs/dbraw/zinc/29/58/17/1334295817.db2.gz ZIGGECHHYXPHBH-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001329255537 1334615738 /nfs/dbraw/zinc/61/57/38/1334615738.db2.gz FYLAENAJLLJTMA-DAWZGUTISA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001330400797 1334836035 /nfs/dbraw/zinc/83/60/35/1334836035.db2.gz DWRSADPBMLBVQX-ZWKOTPCHSA-N 2 0 349.519 2.034 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001330686012 1334886934 /nfs/dbraw/zinc/88/69/34/1334886934.db2.gz HVCZNXCMYBSJCG-SPVDZKOFSA-N 2 0 327.900 2.344 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC2CCOCC2)CC[N@@H+]1C ZINC001330820250 1334908979 /nfs/dbraw/zinc/90/89/79/1334908979.db2.gz JLFUKVDUYGDFGD-BPQIPLTHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001331458134 1335017341 /nfs/dbraw/zinc/01/73/41/1335017341.db2.gz ZWJOPMLAZZUPTM-KBRIMQKVSA-N 2 0 336.455 2.388 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2ccccn2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331943313 1335683360 /nfs/dbraw/zinc/68/33/60/1335683360.db2.gz HXNATRGANGQTNY-PKOBYXMFSA-N 2 0 344.503 2.427 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCCCF)C2)CC1 ZINC001332301599 1335796583 /nfs/dbraw/zinc/79/65/83/1335796583.db2.gz NINXPKUMBGCTHQ-DOTOQJQBSA-N 2 0 327.488 2.343 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001332837479 1335916799 /nfs/dbraw/zinc/91/67/99/1335916799.db2.gz LEWWJTYBPIUFLC-HNNXBMFYSA-N 2 0 327.513 2.018 10 0 EEAERP CO[C@H](C[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1)C1CCC1 ZINC001333354831 1336018727 /nfs/dbraw/zinc/01/87/27/1336018727.db2.gz QRAQSSBAUCOHDH-GOSISDBHSA-N 2 0 349.519 2.034 10 0 EEAERP CCCCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001333364016 1336020656 /nfs/dbraw/zinc/02/06/56/1336020656.db2.gz CNENGGHGPCYRQU-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C1CC1 ZINC001428334047 1339464978 /nfs/dbraw/zinc/46/49/78/1339464978.db2.gz NBNHBHXOFTUFMQ-QGZVFWFLSA-N 2 0 338.540 2.480 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC001433892065 1341714371 /nfs/dbraw/zinc/71/43/71/1341714371.db2.gz SXRDNUDBDIDCMB-QBPKDAKJSA-N 2 0 339.549 2.145 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001436367828 1342055511 /nfs/dbraw/zinc/05/55/11/1342055511.db2.gz NPZAWJBZYXZGTO-OTWHNJEPSA-N 2 0 344.503 2.186 10 0 EEAERP CCC1([NH2+]Cc2ocnc2C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001502496151 1342198033 /nfs/dbraw/zinc/19/80/33/1342198033.db2.gz IMSNPTIYEYYFJQ-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001566796980 1342630851 /nfs/dbraw/zinc/63/08/51/1342630851.db2.gz GIZDLRKDHNPKPU-VKLSIXJOSA-N 2 0 339.443 2.474 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001566940354 1342656058 /nfs/dbraw/zinc/65/60/58/1342656058.db2.gz FSNFPUHWKUZKIF-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cnc(C[N@H+]2CCC[C@H]2CCCNC(=O)CC[NH+](C)C)s1 ZINC001567261492 1342726367 /nfs/dbraw/zinc/72/63/67/1342726367.db2.gz KQBZYXOFICVLDB-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001676002607 1357086095 /nfs/dbraw/zinc/08/60/95/1357086095.db2.gz WHJOFVGBEYLJDR-BBRMVZONSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCCCF)CC[N@@H+]1C ZINC001567373539 1342748420 /nfs/dbraw/zinc/74/84/20/1342748420.db2.gz JXXTXHSBCBUADE-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CC[NH2+]Cc1ccccn1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001567535669 1342781246 /nfs/dbraw/zinc/78/12/46/1342781246.db2.gz IDPSANWGFOORAA-UHFFFAOYSA-N 2 0 332.492 2.142 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001569547045 1342894876 /nfs/dbraw/zinc/89/48/76/1342894876.db2.gz CVUGKSYJRUOIAG-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]Cc3cc(C)on3)C2)CC[N@@H+]1C ZINC001569981209 1342987544 /nfs/dbraw/zinc/98/75/44/1342987544.db2.gz FBDHBYKXEWBINM-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569984019 1342988045 /nfs/dbraw/zinc/98/80/45/1342988045.db2.gz NRLNFZJSHPNISV-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001570039267 1343002762 /nfs/dbraw/zinc/00/27/62/1343002762.db2.gz JEMIHOYKRGSKMU-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCC(F)(F)F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570687564 1343102310 /nfs/dbraw/zinc/10/23/10/1343102310.db2.gz BPTRFMNYCNVDQB-CYBMUJFWSA-N 2 0 337.430 2.355 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571539812 1343232181 /nfs/dbraw/zinc/23/21/81/1343232181.db2.gz GSRQSYQBGRDXFH-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCOc2ccccc2)C(C)(C)C1)[NH+](C)C ZINC001571564018 1343238470 /nfs/dbraw/zinc/23/84/70/1343238470.db2.gz VIQKECXHKAZHGT-ROUUACIJSA-N 2 0 347.503 2.232 10 0 EEAERP CN(C(=O)C[N@H+](C)C1CCC1)[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001676221402 1357122084 /nfs/dbraw/zinc/12/20/84/1357122084.db2.gz CMIOTOPJVSYOEQ-CQSZACIVSA-N 2 0 335.414 2.250 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](CCOc2ccccc2)CC1)[NH+](C)C ZINC001677575066 1357360597 /nfs/dbraw/zinc/36/05/97/1357360597.db2.gz RDQSQFNXDJEHTP-LJQANCHMSA-N 2 0 345.487 2.154 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1F ZINC001677640514 1357381158 /nfs/dbraw/zinc/38/11/58/1357381158.db2.gz RXMRDFSQUJABAC-SFHVURJKSA-N 2 0 333.451 2.426 10 0 EEAERP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001645633711 1352793486 /nfs/dbraw/zinc/79/34/86/1352793486.db2.gz ZODSOFWDKYROHL-IRXDYDNUSA-N 2 0 336.455 2.210 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21)C1CCCCC1 ZINC001646933138 1353055396 /nfs/dbraw/zinc/05/53/96/1353055396.db2.gz UKVZWNPWSUGCJP-XWTMOSNGSA-N 2 0 336.524 2.136 10 0 EEAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001649433871 1353501417 /nfs/dbraw/zinc/50/14/17/1353501417.db2.gz NRBSZIXFXBKQBG-AXTJNSDUSA-N 2 0 333.520 2.465 10 0 EEAERP COc1cccc(CCC[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001649464612 1353519776 /nfs/dbraw/zinc/51/97/76/1353519776.db2.gz RKGWOVBCQCXFBK-APWZRJJASA-N 2 0 347.503 2.016 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001649465962 1353520699 /nfs/dbraw/zinc/52/06/99/1353520699.db2.gz YMUNJUDARFQPTH-MAUKXSAKSA-N 2 0 335.467 2.147 10 0 EEAERP Cn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(Br)n1 ZINC001649916812 1353648082 /nfs/dbraw/zinc/64/80/82/1353648082.db2.gz IAWDLCVWMZMHME-UHFFFAOYSA-N 2 0 329.286 2.393 10 0 EEAERP Cn1ccc(C[NH2+][C@H]2CCCCCN(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001656908156 1354298341 /nfs/dbraw/zinc/29/83/41/1354298341.db2.gz CWYVYKVORMBVPG-SFHVURJKSA-N 2 0 349.523 2.013 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cn1 ZINC001660139936 1354403190 /nfs/dbraw/zinc/40/31/90/1354403190.db2.gz VUKPFWAGHRFPLE-QGZVFWFLSA-N 2 0 336.455 2.032 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001660822103 1354544603 /nfs/dbraw/zinc/54/46/03/1354544603.db2.gz CZBNXHRVXKNPIV-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1)[NH+]1CCCC1 ZINC001661460273 1354641852 /nfs/dbraw/zinc/64/18/52/1354641852.db2.gz QBONLUMIPALPAJ-QAQDUYKDSA-N 2 0 345.487 2.177 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001661498242 1354646314 /nfs/dbraw/zinc/64/63/14/1354646314.db2.gz IWKQUKVCXIROKE-QAQDUYKDSA-N 2 0 339.430 2.434 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001661823446 1354703821 /nfs/dbraw/zinc/70/38/21/1354703821.db2.gz RFBWVSQTIVQQHU-SFHVURJKSA-N 2 0 347.503 2.227 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001662308097 1354777998 /nfs/dbraw/zinc/77/79/98/1354777998.db2.gz AMAVGUWOCPDKCW-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP C[N@H+](CCC(=O)N1CC[C@H](C[NH2+]CCCF)C1)C1CCCCC1 ZINC001662665582 1354823066 /nfs/dbraw/zinc/82/30/66/1354823066.db2.gz VJOYRODPGZPWPJ-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001662713268 1354830626 /nfs/dbraw/zinc/83/06/26/1354830626.db2.gz YZYMSWRSGOOJHE-GXTWGEPZSA-N 2 0 336.307 2.330 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001663931994 1355056698 /nfs/dbraw/zinc/05/66/98/1355056698.db2.gz SPDLCNQTWUUIAA-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CC[NH2+]CCCc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664370126 1355148575 /nfs/dbraw/zinc/14/85/75/1355148575.db2.gz YKOAYFYSXNMPKF-MRXNPFEDSA-N 2 0 337.895 2.272 10 0 EEAERP COCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001664457927 1355169783 /nfs/dbraw/zinc/16/97/83/1355169783.db2.gz WLTGMVIJXNVJPE-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCCCCF)C2)C1 ZINC001666172497 1355474789 /nfs/dbraw/zinc/47/47/89/1355474789.db2.gz IGZBQKJOBOYFPE-DLBZAZTESA-N 2 0 327.488 2.296 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001666298979 1355505985 /nfs/dbraw/zinc/50/59/85/1355505985.db2.gz SYGQAQSQCIPFMP-QAQDUYKDSA-N 2 0 339.524 2.304 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666869866 1355606204 /nfs/dbraw/zinc/60/62/04/1355606204.db2.gz FTEMKOGNKSFLEV-AEFFLSMTSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H](C[NH2+]CCCOc1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001666981925 1355626766 /nfs/dbraw/zinc/62/67/66/1355626766.db2.gz CFFMFRCFYMRBOJ-KRWDZBQOSA-N 2 0 347.503 2.234 10 0 EEAERP CC(C)COCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001667239015 1355683011 /nfs/dbraw/zinc/68/30/11/1355683011.db2.gz RMJMYDLULSTBDD-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001668106397 1355871992 /nfs/dbraw/zinc/87/19/92/1355871992.db2.gz OXFCQJTVZMAUCC-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc2cccnc21)NC(=O)CC[NH+](C)C ZINC001668197473 1355897260 /nfs/dbraw/zinc/89/72/60/1355897260.db2.gz OMSYLTITYLHTLS-HNNXBMFYSA-N 2 0 328.460 2.171 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001668319132 1355922833 /nfs/dbraw/zinc/92/28/33/1355922833.db2.gz DNTUCDSZFACNKL-HNNXBMFYSA-N 2 0 330.476 2.493 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001669321090 1356144670 /nfs/dbraw/zinc/14/46/70/1356144670.db2.gz XLPDDAAORWUIQX-KBRIMQKVSA-N 2 0 349.438 2.356 10 0 EEAERP C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001669474260 1356163639 /nfs/dbraw/zinc/16/36/39/1356163639.db2.gz JDRKSVRTOSAMQP-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001670223224 1356299090 /nfs/dbraw/zinc/29/90/90/1356299090.db2.gz FRIGCAXRAXRQRR-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCCCF)C1 ZINC001671754000 1356408499 /nfs/dbraw/zinc/40/84/99/1356408499.db2.gz WSAPETWCSINTPS-SJLPKXTDSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001672901487 1356610554 /nfs/dbraw/zinc/61/05/54/1356610554.db2.gz IHUBVDOISHRJPT-CKXDQPNJSA-N 2 0 336.307 2.475 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001673332927 1356668033 /nfs/dbraw/zinc/66/80/33/1356668033.db2.gz XLUUFTCJSPLFIG-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCCc1cccc(F)c1 ZINC001698737242 1405037270 /nfs/dbraw/zinc/03/72/70/1405037270.db2.gz GYKDXKCVGYLNKB-MAUKXSAKSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001698858968 1405114698 /nfs/dbraw/zinc/11/46/98/1405114698.db2.gz XKMIVZGXVVCQBV-NADMHLTPSA-N 2 0 327.472 2.232 10 0 EEAERP COCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001698993637 1405208924 /nfs/dbraw/zinc/20/89/24/1405208924.db2.gz MYXCNLVHXXJDKA-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105512 1405259096 /nfs/dbraw/zinc/25/90/96/1405259096.db2.gz GTMTUYPOXKVXOY-ZDUSSCGKSA-N 2 0 334.464 2.021 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC001699987742 1405636005 /nfs/dbraw/zinc/63/60/05/1405636005.db2.gz SBVANOLUXIVWSB-FGTMMUONSA-N 2 0 339.499 2.391 10 0 EEAERP CC[N@H+](C)C[C@@H](O)CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705935609 784827158 /nfs/dbraw/zinc/82/71/58/784827158.db2.gz TVMUMIAYYMZXSW-NJYVYQBISA-N 2 0 345.531 2.143 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923310412 789367889 /nfs/dbraw/zinc/36/78/89/789367889.db2.gz VFVHOYYHQRPBOI-IBGZPJMESA-N 2 0 330.472 2.089 10 0 EEAERP CCOCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000923403481 789504192 /nfs/dbraw/zinc/50/41/92/789504192.db2.gz QUZLGPHHJSZQAC-IEBWSBKVSA-N 2 0 330.472 2.391 10 0 EEAERP COC[C@H](C)[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000923412514 789519345 /nfs/dbraw/zinc/51/93/45/789519345.db2.gz ZBYROMNMJBXVKR-IEZWGBDMSA-N 2 0 330.472 2.389 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)s1 ZINC000923452429 789585249 /nfs/dbraw/zinc/58/52/49/789585249.db2.gz UXCLODPHJRIALX-AWEZNQCLSA-N 2 0 338.473 2.173 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000713226309 794559366 /nfs/dbraw/zinc/55/93/66/794559366.db2.gz IFKKMFKQNFIYNT-AJYBTWMASA-N 2 0 327.472 2.142 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000715269366 795290652 /nfs/dbraw/zinc/29/06/52/795290652.db2.gz ILHZRLGPYBTESL-CBNMVNINSA-N 2 0 345.531 2.476 10 0 EEAERP O=c1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc[nH]1 ZINC000921696636 795411061 /nfs/dbraw/zinc/41/10/61/795411061.db2.gz WFZMPTULLPYQCH-UHFFFAOYSA-N 2 0 327.428 2.034 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921848113 797203048 /nfs/dbraw/zinc/20/30/48/797203048.db2.gz GLFVBQYXSNJZOL-PBWTXFEYSA-N 2 0 344.503 2.289 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCOC(C)C ZINC001566025557 1125503140 /nfs/dbraw/zinc/50/31/40/1125503140.db2.gz QMAOMUVIGYVJNR-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)s1 ZINC001566463342 1125623119 /nfs/dbraw/zinc/62/31/19/1125623119.db2.gz SXYNNDPOJPPBDQ-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1oncc1C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001566587938 1125774610 /nfs/dbraw/zinc/77/46/10/1125774610.db2.gz YNGAGYMLTCRAAW-GOSISDBHSA-N 2 0 348.491 2.327 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)C[C@H]2CCCCO2)C1 ZINC001436855142 1088501022 /nfs/dbraw/zinc/50/10/22/1088501022.db2.gz VZQPETUNSVAXEL-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001436875731 1088526195 /nfs/dbraw/zinc/52/61/95/1088526195.db2.gz LPHOTUXZNTVGEL-RDJZCZTQSA-N 2 0 336.480 2.048 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](Cc3cccnc3)CC[C@H]21 ZINC001436946982 1088630810 /nfs/dbraw/zinc/63/08/10/1088630810.db2.gz VABDVTDAWAGNHH-RTBURBONSA-N 2 0 344.503 2.235 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001437058715 1088953727 /nfs/dbraw/zinc/95/37/27/1088953727.db2.gz KOTYWNKGJFQENJ-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001437058718 1088957945 /nfs/dbraw/zinc/95/79/45/1088957945.db2.gz KOTYWNKGJFQENJ-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001437353093 1089570915 /nfs/dbraw/zinc/57/09/15/1089570915.db2.gz UGQFUKSMJWPJSP-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CCc1cccs1 ZINC001437637897 1090155811 /nfs/dbraw/zinc/15/58/11/1090155811.db2.gz GBRJSMZHDZNMIZ-SFHVURJKSA-N 2 0 335.517 2.215 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001437906314 1090487667 /nfs/dbraw/zinc/48/76/67/1090487667.db2.gz KBEZSIKGHTZKAI-IRXDYDNUSA-N 2 0 348.491 2.056 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001437919280 1090505780 /nfs/dbraw/zinc/50/57/80/1090505780.db2.gz BTHWBKJWEIBSPY-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(CN2CC(CNC(=O)CC[N@@H+](C)C3CCCCC3)C2)o1 ZINC001438152805 1090667617 /nfs/dbraw/zinc/66/76/17/1090667617.db2.gz AGPJGWCEBLAREX-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001438266731 1090748787 /nfs/dbraw/zinc/74/87/87/1090748787.db2.gz NYYBRCUCLATRDL-APWZRJJASA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001438347562 1090823468 /nfs/dbraw/zinc/82/34/68/1090823468.db2.gz TWDHMOMSDUGGIN-IAGOWNOFSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(CF)cc1 ZINC001438548080 1091040181 /nfs/dbraw/zinc/04/01/81/1091040181.db2.gz VCPRQQANPBSXHD-OAHLLOKOSA-N 2 0 333.451 2.094 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC001438579171 1091067169 /nfs/dbraw/zinc/06/71/69/1091067169.db2.gz YNOTVTZVLSHTAG-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001445432872 1091190492 /nfs/dbraw/zinc/19/04/92/1091190492.db2.gz DXCLJYXWKWGHRK-CQSZACIVSA-N 2 0 346.500 2.155 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1F ZINC001438831915 1091453752 /nfs/dbraw/zinc/45/37/52/1091453752.db2.gz STAMUTDQGFMPQT-MRXNPFEDSA-N 2 0 327.419 2.147 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2ncccc2c1)C(=O)CC[NH+](C)C ZINC001438905373 1091567692 /nfs/dbraw/zinc/56/76/92/1091567692.db2.gz XEASWRBMQIXRPE-UHFFFAOYSA-N 2 0 328.460 2.077 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)s1 ZINC001438967669 1091660277 /nfs/dbraw/zinc/66/02/77/1091660277.db2.gz SHGVTWHRATZRER-HOCLYGCPSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439234163 1091880522 /nfs/dbraw/zinc/88/05/22/1091880522.db2.gz BANZSTRSZCUBJZ-YJBOKZPZSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001439322628 1091997613 /nfs/dbraw/zinc/99/76/13/1091997613.db2.gz FQHPFLFRHYERNY-SJLPKXTDSA-N 2 0 332.492 2.199 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001439675740 1092617875 /nfs/dbraw/zinc/61/78/75/1092617875.db2.gz JQJFMSDJNHOBJM-UHFFFAOYSA-N 2 0 333.476 2.082 10 0 EEAERP CCc1nocc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001439885040 1092938005 /nfs/dbraw/zinc/93/80/05/1092938005.db2.gz ILQBUSVQQJVWMA-MJGOQNOKSA-N 2 0 348.491 2.050 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C)no1 ZINC001440137148 1093202612 /nfs/dbraw/zinc/20/26/12/1093202612.db2.gz OZVYRSNGTMYGPU-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP CC1(C)C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001448397810 1093398023 /nfs/dbraw/zinc/39/80/23/1093398023.db2.gz PQGBFCZOBHZSMP-GOSISDBHSA-N 2 0 344.503 2.284 10 0 EEAERP O=C(NCC1([NH2+]CC[C@H]2CCCO2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001440314079 1093446570 /nfs/dbraw/zinc/44/65/70/1093446570.db2.gz SLENVUFTMKSVHJ-QGZVFWFLSA-N 2 0 349.519 2.060 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001440402841 1093590883 /nfs/dbraw/zinc/59/08/83/1093590883.db2.gz SEIJOTAOUJLZSJ-FUHWJXTLSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)o1 ZINC001448560107 1093606872 /nfs/dbraw/zinc/60/68/72/1093606872.db2.gz WKSVNKZIDWSAIY-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc2conc2C)C2CC2)CC[N@@H+]1C ZINC001448581744 1093634647 /nfs/dbraw/zinc/63/46/47/1093634647.db2.gz MDHYIUTXBJHWNE-RCCFBDPRSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)cs1 ZINC001448616872 1093683040 /nfs/dbraw/zinc/68/30/40/1093683040.db2.gz LKMBNEVGBQTJGN-QGZVFWFLSA-N 2 0 335.517 2.479 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001440469873 1093695910 /nfs/dbraw/zinc/69/59/10/1093695910.db2.gz SDRBOQCSOODCGM-RBUKOAKNSA-N 2 0 346.519 2.482 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001440478114 1093706449 /nfs/dbraw/zinc/70/64/49/1093706449.db2.gz WJYKUJHSBQYHPQ-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CCC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001440480180 1093710458 /nfs/dbraw/zinc/71/04/58/1093710458.db2.gz SFDKNMWLCMJZGF-KRWDZBQOSA-N 2 0 343.462 2.298 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001448673591 1093740357 /nfs/dbraw/zinc/74/03/57/1093740357.db2.gz LSHGLUWNNSDCQG-KBXCAEBGSA-N 2 0 348.491 2.363 10 0 EEAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001448724389 1093794661 /nfs/dbraw/zinc/79/46/61/1093794661.db2.gz VCMMKTBHWAYDEW-UONOGXRCSA-N 2 0 331.451 2.200 10 0 EEAERP CCC1([NH2+]Cc2ncc(C)o2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001440533823 1093796236 /nfs/dbraw/zinc/79/62/36/1093796236.db2.gz UTIHRLYSBYOSOA-HNNXBMFYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001448777359 1093856585 /nfs/dbraw/zinc/85/65/85/1093856585.db2.gz OHISNOJBBXGOFA-QFBILLFUSA-N 2 0 346.519 2.447 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncccc1C ZINC001448785973 1093865128 /nfs/dbraw/zinc/86/51/28/1093865128.db2.gz YKPFRSDJBMOMAC-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001449051561 1094065082 /nfs/dbraw/zinc/06/50/82/1094065082.db2.gz HDSUGGHDKLRACG-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001440845416 1094103615 /nfs/dbraw/zinc/10/36/15/1094103615.db2.gz DZWNSAVOZTWUIX-CHWSQXEVSA-N 2 0 341.883 2.370 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440850656 1094109266 /nfs/dbraw/zinc/10/92/66/1094109266.db2.gz CVVXDDRSCKYZDF-IRXDYDNUSA-N 2 0 331.504 2.370 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cn1 ZINC001440859487 1094121362 /nfs/dbraw/zinc/12/13/62/1094121362.db2.gz OZHDBLYJQJTZIT-GTPINHCMSA-N 2 0 347.507 2.157 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCc1ccccc1F ZINC001440923098 1094176531 /nfs/dbraw/zinc/17/65/31/1094176531.db2.gz IEQZSCSEBFCOLY-QAPCUYQASA-N 2 0 347.478 2.147 10 0 EEAERP C[C@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C)n1ccnc1 ZINC001449224630 1094177862 /nfs/dbraw/zinc/17/78/62/1094177862.db2.gz FXYYNXPEWNKXPO-CVEARBPZSA-N 2 0 338.496 2.022 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001440934802 1094187622 /nfs/dbraw/zinc/18/76/22/1094187622.db2.gz ORZYKLHFTNLLKQ-RDTXWAMCSA-N 2 0 330.476 2.445 10 0 EEAERP Cc1ncccc1C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001449365574 1094330633 /nfs/dbraw/zinc/33/06/33/1094330633.db2.gz KFURKTYFYBGOQD-KRWDZBQOSA-N 2 0 346.519 2.447 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001449385118 1094359147 /nfs/dbraw/zinc/35/91/47/1094359147.db2.gz OFFQPKOPRBQHAS-UHFFFAOYSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1)[NH+](CC)CC ZINC001449395914 1094373249 /nfs/dbraw/zinc/37/32/49/1094373249.db2.gz YYAGFXHLJVPYLZ-VMBOVVBDSA-N 2 0 336.480 2.182 10 0 EEAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1COCCN1C1CCCC1)C(C)C ZINC001441083639 1094377822 /nfs/dbraw/zinc/37/78/22/1094377822.db2.gz REBYHQHNJSRJKY-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CC1CC[NH+](CC(=O)NC2(C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001449400335 1094380460 /nfs/dbraw/zinc/38/04/60/1094380460.db2.gz HUVUWDSNGDCDFC-UHFFFAOYSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ccncc1C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441164607 1094513970 /nfs/dbraw/zinc/51/39/70/1094513970.db2.gz HUVVETKDXOVCSF-MRXNPFEDSA-N 2 0 344.503 2.201 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001441202759 1094563784 /nfs/dbraw/zinc/56/37/84/1094563784.db2.gz XZQIQPHKMWEFOJ-HOTGVXAUSA-N 2 0 343.462 2.389 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)c1 ZINC001441260007 1094662114 /nfs/dbraw/zinc/66/21/14/1094662114.db2.gz XCDSVOPHMZMNAW-OALUTQOASA-N 2 0 329.488 2.240 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(F)ccc3C)C[C@H]21 ZINC001441301728 1094748184 /nfs/dbraw/zinc/74/81/84/1094748184.db2.gz CVQYVZJAQMCGLH-LDLYASANSA-N 2 0 347.478 2.270 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]32)CCC1 ZINC001441319494 1094774572 /nfs/dbraw/zinc/77/45/72/1094774572.db2.gz YOLVPZYHTHBSBQ-NNZMDNLPSA-N 2 0 333.520 2.345 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)o1 ZINC001441489885 1095167244 /nfs/dbraw/zinc/16/72/44/1095167244.db2.gz AXQXSTQQSBGIEK-GASCZTMLSA-N 2 0 348.491 2.373 10 0 EEAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001442110616 1096339013 /nfs/dbraw/zinc/33/90/13/1096339013.db2.gz JAFGKFIQHGXGJW-UHFFFAOYSA-N 2 0 329.448 2.458 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001442221290 1096516734 /nfs/dbraw/zinc/51/67/34/1096516734.db2.gz VREREENINJUOTE-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(F)c1F ZINC001442320811 1096640376 /nfs/dbraw/zinc/64/03/76/1096640376.db2.gz NTMLZGXOXLUBGX-ZDUSSCGKSA-N 2 0 337.414 2.045 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001442909374 1097315208 /nfs/dbraw/zinc/31/52/08/1097315208.db2.gz UOJAKCTUJZPZFU-HOTGVXAUSA-N 2 0 333.451 2.106 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001442914208 1097322631 /nfs/dbraw/zinc/32/26/31/1097322631.db2.gz QIYIIPGKWDZIAA-DNVCBOLYSA-N 2 0 345.462 2.347 10 0 EEAERP COc1ccc(C[N@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)C2CC2)cc1 ZINC001443043087 1097451396 /nfs/dbraw/zinc/45/13/96/1097451396.db2.gz IYSDTSWOBOXVJQ-QGZVFWFLSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001443123240 1097543533 /nfs/dbraw/zinc/54/35/33/1097543533.db2.gz NIXAPXPNZIBDME-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1 ZINC001443133101 1097558498 /nfs/dbraw/zinc/55/84/98/1097558498.db2.gz REPWRMMRHNLVHG-MSOLQXFVSA-N 2 0 347.503 2.200 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001443824771 1098326680 /nfs/dbraw/zinc/32/66/80/1098326680.db2.gz VDCBGKOVJBCBMT-GOSISDBHSA-N 2 0 346.519 2.498 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001443897295 1098423749 /nfs/dbraw/zinc/42/37/49/1098423749.db2.gz KTDVOFXSOKKQKR-LRDDRELGSA-N 2 0 325.403 2.043 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001443976100 1098493911 /nfs/dbraw/zinc/49/39/11/1098493911.db2.gz DCJDHGNOPCLHMB-JKSUJKDBSA-N 2 0 349.523 2.308 10 0 EEAERP CN(C(=O)NC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001479490572 1098562868 /nfs/dbraw/zinc/56/28/68/1098562868.db2.gz KURRHQYGCSEASA-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001479581469 1098618833 /nfs/dbraw/zinc/61/88/33/1098618833.db2.gz XHAPGRHOLGAVKA-YEYHLASMSA-N 2 0 327.900 2.297 10 0 EEAERP C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001479772845 1098945902 /nfs/dbraw/zinc/94/59/02/1098945902.db2.gz ZGPIAYLLFKAZPO-MRSBXDGLSA-N 2 0 341.499 2.480 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(F)ccc1F ZINC001479777938 1098959709 /nfs/dbraw/zinc/95/97/09/1098959709.db2.gz HQPLRISCUNHWLC-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@H](C)c1ccccc1F ZINC001444387386 1098976302 /nfs/dbraw/zinc/97/63/02/1098976302.db2.gz JTTBDSCPMNGRNV-LSDHHAIUSA-N 2 0 333.451 2.324 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001479815173 1099086062 /nfs/dbraw/zinc/08/60/62/1099086062.db2.gz AOGNDVFWBLIUFN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)o1 ZINC001480023734 1099506690 /nfs/dbraw/zinc/50/66/90/1099506690.db2.gz PHVSPEJSTHIQSC-HNNXBMFYSA-N 2 0 348.491 2.014 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001444695527 1099548578 /nfs/dbraw/zinc/54/85/78/1099548578.db2.gz YFYVZGKUUZTVIX-HOCLYGCPSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001444762981 1099654603 /nfs/dbraw/zinc/65/46/03/1099654603.db2.gz KHUZQCORAYOAAV-HZPDHXFCSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001444817881 1099748002 /nfs/dbraw/zinc/74/80/02/1099748002.db2.gz NKCVSZQKNFXZDZ-JKSUJKDBSA-N 2 0 336.480 2.040 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001480232772 1099859170 /nfs/dbraw/zinc/85/91/70/1099859170.db2.gz QHIBVHAEGNJIPL-MCIONIFRSA-N 2 0 335.414 2.298 10 0 EEAERP COc1ccc(CC[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001444873664 1099882938 /nfs/dbraw/zinc/88/29/38/1099882938.db2.gz ZEVMPZDSZRBWRX-OALUTQOASA-N 2 0 347.503 2.062 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001444938696 1100049555 /nfs/dbraw/zinc/04/95/55/1100049555.db2.gz YPLJEPSXZFBOQY-GOSISDBHSA-N 2 0 335.467 2.460 10 0 EEAERP CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001480462533 1100266217 /nfs/dbraw/zinc/26/62/17/1100266217.db2.gz LGUIKCGSZATFNW-DNVCBOLYSA-N 2 0 329.488 2.185 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1nc2ccccc2o1 ZINC001445120925 1100369084 /nfs/dbraw/zinc/36/90/84/1100369084.db2.gz SZIUJDKCGGSYCL-LSDHHAIUSA-N 2 0 344.459 2.154 10 0 EEAERP C[C@@H](C[NH2+]Cc1sccc1Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001496228852 1100786605 /nfs/dbraw/zinc/78/66/05/1100786605.db2.gz DFDQIOUUYWACPW-LBPRGKRZSA-N 2 0 329.897 2.434 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001496251027 1100820150 /nfs/dbraw/zinc/82/01/50/1100820150.db2.gz SOAWNACVLVIINJ-ZDUSSCGKSA-N 2 0 326.872 2.012 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496314551 1100907901 /nfs/dbraw/zinc/90/79/01/1100907901.db2.gz OUYMUFBBTAUUPV-ROUUACIJSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001496358833 1100952635 /nfs/dbraw/zinc/95/26/35/1100952635.db2.gz CXDZTFNVNMHUDI-YJBOKZPZSA-N 2 0 335.467 2.412 10 0 EEAERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]Cc1ccc(F)cc1F)C1CC1 ZINC001495275548 1100971939 /nfs/dbraw/zinc/97/19/39/1100971939.db2.gz BIQBMTKTQDUCBN-GOSISDBHSA-N 2 0 339.430 2.291 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001496419926 1101013903 /nfs/dbraw/zinc/01/39/03/1101013903.db2.gz VKYWHTPJFYCVFN-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)co1 ZINC001496451740 1101044008 /nfs/dbraw/zinc/04/40/08/1101044008.db2.gz YDQJIWBYMVEGPK-HOCLYGCPSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001446614523 1101118346 /nfs/dbraw/zinc/11/83/46/1101118346.db2.gz QSMNMVIJGZQIIQ-OXJNMPFZSA-N 2 0 344.503 2.060 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001495471773 1101182519 /nfs/dbraw/zinc/18/25/19/1101182519.db2.gz DKCYAUNCKXBTOX-LUKYLMHMSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)cc1F ZINC001496643030 1101248083 /nfs/dbraw/zinc/24/80/83/1101248083.db2.gz MPKIQIMJWCJGIH-GOSISDBHSA-N 2 0 335.467 2.460 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001496905442 1101699555 /nfs/dbraw/zinc/69/95/55/1101699555.db2.gz QBICRLZWYIYZEJ-CXAGYDPISA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](F)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001447074924 1101930003 /nfs/dbraw/zinc/93/00/03/1101930003.db2.gz DQHCVCWTIZCDOZ-YJBOKZPZSA-N 2 0 335.467 2.434 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001447095422 1101982714 /nfs/dbraw/zinc/98/27/14/1101982714.db2.gz CNXYCVUFJNYZSY-MRXNPFEDSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497213557 1102136405 /nfs/dbraw/zinc/13/64/05/1102136405.db2.gz BTSHRQGOWKYJSU-NVXWUHKLSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497299850 1102279558 /nfs/dbraw/zinc/27/95/58/1102279558.db2.gz VFJCXYNEOVFAPQ-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001497334179 1102342443 /nfs/dbraw/zinc/34/24/43/1102342443.db2.gz WXPODBKOJVIQDV-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001447371027 1102544355 /nfs/dbraw/zinc/54/43/55/1102544355.db2.gz BKUMGKFZOSLZQX-HUUCEWRRSA-N 2 0 336.480 2.136 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC001447448926 1102671973 /nfs/dbraw/zinc/67/19/73/1102671973.db2.gz YVRZWHPPIJZYHP-SFHVURJKSA-N 2 0 327.488 2.392 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C(C)C)s1 ZINC001497577125 1102690647 /nfs/dbraw/zinc/69/06/47/1102690647.db2.gz AGIGWCQJIBHQJT-DWTRPJMMSA-N 2 0 336.505 2.086 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cccc(Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001497578082 1102691234 /nfs/dbraw/zinc/69/12/34/1102691234.db2.gz GJSXOAZNDGTIQV-KROLTMCQSA-N 2 0 347.890 2.444 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001497727983 1102977120 /nfs/dbraw/zinc/97/71/20/1102977120.db2.gz PXVOPGKQHQPLDJ-ONEGZZNKSA-N 2 0 327.472 2.107 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1ccn(C)n1)C(C)C ZINC001493877917 1103021838 /nfs/dbraw/zinc/02/18/38/1103021838.db2.gz DIOLAMDKOBYAMS-SFHVURJKSA-N 2 0 349.523 2.011 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ocnc2C)[C@@H](C)C1 ZINC001447641500 1103033458 /nfs/dbraw/zinc/03/34/58/1103033458.db2.gz XVXOACKWSFHBFN-HOCLYGCPSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2c3ccccc3CC[NH+]2CCCF)C1 ZINC001447704020 1103140999 /nfs/dbraw/zinc/14/09/99/1103140999.db2.gz KDRCEHCBBRYHGC-QFBILLFUSA-N 2 0 347.478 2.403 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001447817860 1103381663 /nfs/dbraw/zinc/38/16/63/1103381663.db2.gz CKLTWBBTFGIHNX-WLYUNCDWSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001494170919 1103637420 /nfs/dbraw/zinc/63/74/20/1103637420.db2.gz FWAFBWSNHIKQJM-SFHVURJKSA-N 2 0 346.519 2.402 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001447937252 1103643935 /nfs/dbraw/zinc/64/39/35/1103643935.db2.gz NAMNRPGLTOTFNM-OLZOCXBDSA-N 2 0 325.403 2.043 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC/C=C\c1ccccc1 ZINC001494648240 1104231583 /nfs/dbraw/zinc/23/15/83/1104231583.db2.gz OWECHMKTZRDKKM-MOOQIPBLSA-N 2 0 339.483 2.469 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ncccc1C ZINC001495014644 1104657611 /nfs/dbraw/zinc/65/76/11/1104657611.db2.gz ZJTMEWASMLYUPW-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ncccc1C ZINC001495014645 1104657886 /nfs/dbraw/zinc/65/78/86/1104657886.db2.gz ZJTMEWASMLYUPW-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495060106 1104697328 /nfs/dbraw/zinc/69/73/28/1104697328.db2.gz XOWZGEGFNGNEMO-CVEARBPZSA-N 2 0 341.540 2.264 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccncc1Cl ZINC001498048610 1106837735 /nfs/dbraw/zinc/83/77/35/1106837735.db2.gz MPVOVCYHAYKSKS-BBRMVZONSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001498286660 1107217452 /nfs/dbraw/zinc/21/74/52/1107217452.db2.gz BNSCRNKNEZXTKY-AYOQOUSVSA-N 2 0 347.503 2.362 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCF)[NH+]1CCCC1 ZINC001480833010 1107229088 /nfs/dbraw/zinc/22/90/88/1107229088.db2.gz LUTOSIQSHFMAKS-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccnc1C ZINC001493011033 1107293042 /nfs/dbraw/zinc/29/30/42/1107293042.db2.gz LKIMRBUDGFTJGR-RDJZCZTQSA-N 2 0 332.492 2.058 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@H]1CCCC1(F)F ZINC001493058475 1107416319 /nfs/dbraw/zinc/41/63/19/1107416319.db2.gz LTVVBRCXFORFCX-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CCN(CCNC(=O)Cn1ccnc1)[C@@H](C)c1ccc(F)cc1F ZINC001493067848 1107432676 /nfs/dbraw/zinc/43/26/76/1107432676.db2.gz VVKGRBVOIRNXTA-ZDUSSCGKSA-N 2 0 336.386 2.361 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(C)o1 ZINC001498490640 1107626521 /nfs/dbraw/zinc/62/65/21/1107626521.db2.gz ORZPFUZCRALYEK-HZPDHXFCSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1ccccc1OCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001498606599 1107798086 /nfs/dbraw/zinc/79/80/86/1107798086.db2.gz MHEANOQRFBUVKH-UHFFFAOYSA-N 2 0 347.503 2.154 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498636467 1107859661 /nfs/dbraw/zinc/85/96/61/1107859661.db2.gz FVXRQPRUEINHFU-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+]1CCCCC1 ZINC001498760636 1108045493 /nfs/dbraw/zinc/04/54/93/1108045493.db2.gz ORWBBDKNUPLUMI-RZIFZGNASA-N 2 0 327.900 2.488 10 0 EEAERP O=C(NCC[N@H+](CC1CCOCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001493430894 1108144852 /nfs/dbraw/zinc/14/48/52/1108144852.db2.gz WMPGNYCVTUPDBL-MOPGFXCFSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1cncc(C[N@@H+](CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C2CC2)c1 ZINC001493448697 1108173902 /nfs/dbraw/zinc/17/39/02/1108173902.db2.gz FDODPKIDKHKYOM-IRXDYDNUSA-N 2 0 344.503 2.343 10 0 EEAERP CN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493551036 1108301379 /nfs/dbraw/zinc/30/13/79/1108301379.db2.gz UMUCMDJGSIFFIJ-GOSISDBHSA-N 2 0 340.471 2.058 10 0 EEAERP CN(CC[NH2+]CCCc1cccc(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493760986 1108635572 /nfs/dbraw/zinc/63/55/72/1108635572.db2.gz HEBAZMUCWSBMOU-KRWDZBQOSA-N 2 0 335.467 2.148 10 0 EEAERP CN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762593 1108638029 /nfs/dbraw/zinc/63/80/29/1108638029.db2.gz VNICFCKFOCVFNE-SMTIMMHKSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001493871516 1108767578 /nfs/dbraw/zinc/76/75/78/1108767578.db2.gz VGZZNXPLPZEKQJ-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001464108241 1110387657 /nfs/dbraw/zinc/38/76/57/1110387657.db2.gz WRNSPVGQYUYKOR-MSOLQXFVSA-N 2 0 333.451 2.201 10 0 EEAERP CC(C)(C)OC(=O)CCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473875901 1110583132 /nfs/dbraw/zinc/58/31/32/1110583132.db2.gz CTTOYKYPRLMLLZ-UHFFFAOYSA-N 2 0 340.508 2.421 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CC1CCC(F)(F)CC1)C(=O)C[NH+]1CCCC1 ZINC001479269766 1110672750 /nfs/dbraw/zinc/67/27/50/1110672750.db2.gz ANQNYELJTOKSFL-MRXNPFEDSA-N 2 0 343.462 2.440 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001500613182 1112976853 /nfs/dbraw/zinc/97/68/53/1112976853.db2.gz CHXKLNBASYKTDR-UONOGXRCSA-N 2 0 337.430 2.150 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001501145700 1113214257 /nfs/dbraw/zinc/21/42/57/1113214257.db2.gz FUWJVYJJFOHALY-RBVCKMPFSA-N 2 0 336.307 2.331 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@H]2CCCCO2)CC1 ZINC001501186395 1113233411 /nfs/dbraw/zinc/23/34/11/1113233411.db2.gz JBQCGQSEOSEMLW-KZNAEPCWSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001501681580 1113432101 /nfs/dbraw/zinc/43/21/01/1113432101.db2.gz MLSUGUQTIMGFNI-QFBILLFUSA-N 2 0 347.503 2.330 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1COC2(C[NH+](CCC(C)(C)C)C2)C1 ZINC001502471086 1113697333 /nfs/dbraw/zinc/69/73/33/1113697333.db2.gz XEZHGBQVCDVMRR-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)n1ccc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)n1 ZINC001502795445 1113802782 /nfs/dbraw/zinc/80/27/82/1113802782.db2.gz MAXRVKKHFIRHAP-UHFFFAOYSA-N 2 0 349.523 2.277 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccn1 ZINC001505455782 1113989328 /nfs/dbraw/zinc/98/93/28/1113989328.db2.gz HZEPTBDXHQHLFN-GOSISDBHSA-N 2 0 332.492 2.236 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001505644794 1114105904 /nfs/dbraw/zinc/10/59/04/1114105904.db2.gz IVZSFTUKIUNTRR-CVEARBPZSA-N 2 0 345.487 2.306 10 0 EEAERP Cc1ncoc1C[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001505820124 1114213679 /nfs/dbraw/zinc/21/36/79/1114213679.db2.gz JZHOIYPCMCWLEV-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccccc1F)C(=O)C[NH+]1CCCC1 ZINC001505848681 1114231878 /nfs/dbraw/zinc/23/18/78/1114231878.db2.gz WLICIOPQTIZJAT-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C[C@H]1CCC(F)(F)C1 ZINC001505935257 1114288059 /nfs/dbraw/zinc/28/80/59/1114288059.db2.gz DKPAKOMKIOPJHJ-KGLIPLIRSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CCOC1CCC1 ZINC001506014621 1114345134 /nfs/dbraw/zinc/34/51/34/1114345134.db2.gz FKPVUNIZGOXIBR-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCCC2)C1 ZINC001506525653 1114674530 /nfs/dbraw/zinc/67/45/30/1114674530.db2.gz MGJNSIFGJDMVEP-INIZCTEOSA-N 2 0 348.466 2.081 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CCC[NH2+]C[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001506929804 1114981067 /nfs/dbraw/zinc/98/10/67/1114981067.db2.gz PPGCMNAZVOLVTJ-HOCLYGCPSA-N 2 0 344.459 2.167 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938086 1114987709 /nfs/dbraw/zinc/98/77/09/1114987709.db2.gz KWBCGGRCBNIOCI-UONOGXRCSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001507074478 1115094126 /nfs/dbraw/zinc/09/41/26/1115094126.db2.gz UQDSCLKJJJWEQW-VQIMIIECSA-N 2 0 329.488 2.273 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001507807701 1115349832 /nfs/dbraw/zinc/34/98/32/1115349832.db2.gz BAINQASYYVWYNN-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC001508016840 1115389066 /nfs/dbraw/zinc/38/90/66/1115389066.db2.gz YRTUBGNFSNMCMD-KBPBESRZSA-N 2 0 333.467 2.494 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C)o1 ZINC001508037700 1115398241 /nfs/dbraw/zinc/39/82/41/1115398241.db2.gz OXXAYGCNXLNKBK-MRXNPFEDSA-N 2 0 348.491 2.008 10 0 EEAERP COCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001568056448 1124261668 /nfs/dbraw/zinc/26/16/68/1124261668.db2.gz DBGVCCZPUXFGIN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC001568093961 1124297749 /nfs/dbraw/zinc/29/77/49/1124297749.db2.gz LMUCSJMMJIOHKC-HNNXBMFYSA-N 2 0 348.491 2.043 10 0 EEAERP CCCCCCN1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001568227856 1124373992 /nfs/dbraw/zinc/37/39/92/1124373992.db2.gz JDWDHQSULAUARV-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001568235206 1124377567 /nfs/dbraw/zinc/37/75/67/1124377567.db2.gz IWDAIQYDYKLQFT-QGZVFWFLSA-N 2 0 339.499 2.487 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ncc(C)o1 ZINC001568398621 1124469204 /nfs/dbraw/zinc/46/92/04/1124469204.db2.gz ZQUOWQOGQRDHHI-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568700865 1124716208 /nfs/dbraw/zinc/71/62/08/1124716208.db2.gz XTURPEHSDVFSGC-LRDDRELGSA-N 2 0 340.537 2.331 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568710355 1124727073 /nfs/dbraw/zinc/72/70/73/1124727073.db2.gz LFMZBMATACXZSF-ZBFHGGJFSA-N 2 0 337.895 2.319 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccsc1)C12CCC[NH+](CCC1)C2 ZINC001568870966 1124896802 /nfs/dbraw/zinc/89/68/02/1124896802.db2.gz IJUKWXONFXXHEV-UPHRSURJSA-N 2 0 333.501 2.386 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]CC[C@@H]2CCCO2)ccc2c[nH+]cn21 ZINC001568877547 1124902654 /nfs/dbraw/zinc/90/26/54/1124902654.db2.gz NNEPXNFPLYLNBI-KYVUIXNKSA-N 2 0 342.443 2.087 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCC1CCOCC1)C12CCC[NH+]1CCC2 ZINC001568879538 1124905643 /nfs/dbraw/zinc/90/56/43/1124905643.db2.gz ILRZNILAGKKZFW-OWOJBTEDSA-N 2 0 349.519 2.084 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@H]1CCCc2ccccc21 ZINC001568964809 1125001247 /nfs/dbraw/zinc/00/12/47/1125001247.db2.gz XOEKTOCCZUDRQQ-LLHWWHOWSA-N 2 0 327.472 2.422 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001568969156 1125006457 /nfs/dbraw/zinc/00/64/57/1125006457.db2.gz IZBMUXLJYRVYSW-SHCNBLLESA-N 2 0 333.451 2.462 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1)[NH+]1CCCC1 ZINC001569269855 1125208659 /nfs/dbraw/zinc/20/86/59/1125208659.db2.gz FYDQXWSSWGZZOX-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH2+][C@H](CCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000054015719 214210901 /nfs/dbraw/zinc/21/09/01/214210901.db2.gz WMHZXSVPVNYRDS-OAHLLOKOSA-N 2 0 326.282 2.347 10 0 EEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000061642119 214669847 /nfs/dbraw/zinc/66/98/47/214669847.db2.gz FQLXWMOUEILPHU-GJZGRUSLSA-N 2 0 326.282 2.475 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)CC[NH2+]CC1 ZINC000423080407 240357001 /nfs/dbraw/zinc/35/70/01/240357001.db2.gz SKJXPDZWFLUFDB-QAPCUYQASA-N 2 0 340.508 2.229 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422714730 240189442 /nfs/dbraw/zinc/18/94/42/240189442.db2.gz LKNRDTAHFPDDKC-KXBFYZLASA-N 2 0 345.487 2.420 10 0 EEAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422779220 240221615 /nfs/dbraw/zinc/22/16/15/240221615.db2.gz FLIGHXIHKMLUSP-PMACEKPBSA-N 2 0 329.488 2.139 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000422997085 240323809 /nfs/dbraw/zinc/32/38/09/240323809.db2.gz NIOXNOPWMJGYEU-WBVHZDCISA-N 2 0 330.476 2.455 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000422997084 240324058 /nfs/dbraw/zinc/32/40/58/240324058.db2.gz NIOXNOPWMJGYEU-RDJZCZTQSA-N 2 0 330.476 2.455 10 0 EEAERP COc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423059213 240346259 /nfs/dbraw/zinc/34/62/59/240346259.db2.gz FHAGIYBMHNSUHX-LEWSCRJBSA-N 2 0 343.265 2.300 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140440 240380671 /nfs/dbraw/zinc/38/06/71/240380671.db2.gz YGXCJVBIYAUABJ-AQNXPRMDSA-N 2 0 343.515 2.385 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000423750169 240599210 /nfs/dbraw/zinc/59/92/10/240599210.db2.gz STZBNENUVIQOKI-OUNSHVDWSA-N 2 0 329.488 2.154 10 0 EEAERP Cc1cccc2c(C(=O)NCCN3CCC([NH+](C)C)CC3)coc21 ZINC000424706336 241016488 /nfs/dbraw/zinc/01/64/88/241016488.db2.gz OWRLGGVFGFKULF-UHFFFAOYSA-N 2 0 329.444 2.497 10 0 EEAERP CS[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000425355413 241138381 /nfs/dbraw/zinc/13/83/81/241138381.db2.gz OQTUNPXPWMFFMQ-HUUCEWRRSA-N 2 0 327.538 2.097 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000449234632 242490663 /nfs/dbraw/zinc/49/06/63/242490663.db2.gz QXBQZTCFRFMMHL-UWJYYQICSA-N 2 0 346.515 2.459 10 0 EEAERP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950164 203065262 /nfs/dbraw/zinc/06/52/62/203065262.db2.gz YOZUDNLYABCPJP-HNNXBMFYSA-N 2 0 344.459 2.434 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000262636333 245083480 /nfs/dbraw/zinc/08/34/80/245083480.db2.gz HSQQYBIPAGVGJE-OGWHTMIXSA-N 2 0 329.488 2.211 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236978371 204211395 /nfs/dbraw/zinc/21/13/95/204211395.db2.gz YJJSIWKUFJHWDJ-WDSOQIARSA-N 2 0 345.487 2.164 10 0 EEAERP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000106459652 204197545 /nfs/dbraw/zinc/19/75/45/204197545.db2.gz WQUWISIPHLBFAS-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@H+](CCN(Cc1ccccc1)C(=O)CC[NH3+])Cc1ccccc1 ZINC000237133170 204397360 /nfs/dbraw/zinc/39/73/60/204397360.db2.gz LZVNJLCAFGPBPH-UHFFFAOYSA-N 2 0 325.456 2.496 10 0 EEAERP COc1cccc(C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C2CC2)c1 ZINC000121135405 204783543 /nfs/dbraw/zinc/78/35/43/204783543.db2.gz NFRAKJFDEIFEQJ-ICSRJNTNSA-N 2 0 332.488 2.453 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC4CCOCC4)CC3)C2)cc1 ZINC000271256305 256225984 /nfs/dbraw/zinc/22/59/84/256225984.db2.gz GYUTTXKVOUOMKX-OAQYLSRUSA-N 2 0 343.515 2.305 10 0 EEAERP COCCN1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000273068114 256262234 /nfs/dbraw/zinc/26/22/34/256262234.db2.gz ITSIBHASXASBFA-QGZVFWFLSA-N 2 0 329.444 2.314 10 0 EEAERP CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262424329 152279115 /nfs/dbraw/zinc/27/91/15/152279115.db2.gz SDIRVXLGYLHMFT-UHOSZYNNSA-N 2 0 345.487 2.049 10 0 EEAERP [NH3+]Cc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000186590361 160076525 /nfs/dbraw/zinc/07/65/25/160076525.db2.gz SBTIJARXHYHWBT-IBGZPJMESA-N 2 0 338.455 2.325 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245688421 160247727 /nfs/dbraw/zinc/24/77/27/160247727.db2.gz WQWXWXMHSKHKJB-NEWSRXKRSA-N 2 0 344.503 2.463 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000247401891 160323313 /nfs/dbraw/zinc/32/33/13/160323313.db2.gz REEYNPVJCJSDHB-CRAIPNDOSA-N 2 0 332.492 2.276 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1OC ZINC000343598095 161150461 /nfs/dbraw/zinc/15/04/61/161150461.db2.gz UQOZCLWWLCLCDC-FUHWJXTLSA-N 2 0 349.519 2.456 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000355318044 163143743 /nfs/dbraw/zinc/14/37/43/163143743.db2.gz MVEIAZBBHQYFKY-UHFFFAOYSA-N 2 0 331.460 2.009 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@@H]2CCC[C@@H]21 ZINC000376112470 167264223 /nfs/dbraw/zinc/26/42/23/167264223.db2.gz FURKNCIAULVVCU-BZSNNMDCSA-N 2 0 341.455 2.135 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277337412 274285111 /nfs/dbraw/zinc/28/51/11/274285111.db2.gz SFRIXPWBDGPNJS-MRXNPFEDSA-N 2 0 333.476 2.183 10 0 EEAERP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000289766596 275146858 /nfs/dbraw/zinc/14/68/58/275146858.db2.gz KBVBAQWVJXVZOD-UHFFFAOYSA-N 2 0 342.487 2.350 10 0 EEAERP C[C@@H]1[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000291704897 275331965 /nfs/dbraw/zinc/33/19/65/275331965.db2.gz FTYZCGAPJUWNGD-OGWHTMIXSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000247320083 288309080 /nfs/dbraw/zinc/30/90/80/288309080.db2.gz OORVJDRIRNIRFW-ILXRZTDVSA-N 2 0 336.505 2.229 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000265303129 289172375 /nfs/dbraw/zinc/17/23/75/289172375.db2.gz MXGACTCOIILREN-INIZCTEOSA-N 2 0 333.476 2.041 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccsc1 ZINC000297597877 294291278 /nfs/dbraw/zinc/29/12/78/294291278.db2.gz QDXHRWIXVXXBSU-MRXNPFEDSA-N 2 0 343.456 2.498 10 0 EEAERP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccccc1 ZINC000262140045 295260194 /nfs/dbraw/zinc/26/01/94/295260194.db2.gz DUYOWUMBGNQSNG-GFEQUFNTSA-N 2 0 327.472 2.108 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000333128025 312097035 /nfs/dbraw/zinc/09/70/35/312097035.db2.gz BJCSJUJXZKUYFX-BFWZDYSYSA-N 2 0 336.524 2.327 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)(N2CCOCC2)CC1 ZINC000414205223 312982198 /nfs/dbraw/zinc/98/21/98/312982198.db2.gz XCVWNGWNDRAQRF-MOPGFXCFSA-N 2 0 335.536 2.341 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416813073 313323533 /nfs/dbraw/zinc/32/35/33/313323533.db2.gz UCTUQIZERATROB-PKOBYXMFSA-N 2 0 330.476 2.074 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000416838833 313330360 /nfs/dbraw/zinc/33/03/60/313330360.db2.gz JGSYEJFPUWKDNT-KBAYOESNSA-N 2 0 332.492 2.367 10 0 EEAERP O=C(NCC[C@H]1CCC[NH2+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416970133 313376578 /nfs/dbraw/zinc/37/65/78/313376578.db2.gz DLVLHPGLKYYZDU-GOSISDBHSA-N 2 0 344.503 2.135 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000417029242 313401282 /nfs/dbraw/zinc/40/12/82/313401282.db2.gz NTNKYTMYXMQXDH-IBGZPJMESA-N 2 0 336.524 2.284 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000417158642 313437811 /nfs/dbraw/zinc/43/78/11/313437811.db2.gz BKZGDDUFAPARSD-PBHICJAKSA-N 2 0 336.455 2.117 10 0 EEAERP CCCC[NH+]1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000417398793 313503622 /nfs/dbraw/zinc/50/36/22/313503622.db2.gz WAEYRHZLZJOODS-UHFFFAOYSA-N 2 0 347.507 2.125 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[NH+]2CCCC2)o1 ZINC000417412523 313507427 /nfs/dbraw/zinc/50/74/27/313507427.db2.gz ABQIZTVJFVDOPE-BMFZPTHFSA-N 2 0 334.464 2.022 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n1C ZINC000563441025 319011363 /nfs/dbraw/zinc/01/13/63/319011363.db2.gz VCZFHJPFGYZWEU-HNNXBMFYSA-N 2 0 340.406 2.231 10 0 EEAERP [NH3+]C1(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCCCCC1 ZINC000564214512 319073084 /nfs/dbraw/zinc/07/30/84/319073084.db2.gz POVIWMBPFDSEPK-SFHVURJKSA-N 2 0 344.503 2.462 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000566444398 319287948 /nfs/dbraw/zinc/28/79/48/319287948.db2.gz FSQKZTFSTKAACB-HNNXBMFYSA-N 2 0 328.460 2.483 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000568388317 319484248 /nfs/dbraw/zinc/48/42/48/319484248.db2.gz PXYHEIGWVSEJBS-IBGZPJMESA-N 2 0 344.503 2.376 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572368164 319839804 /nfs/dbraw/zinc/83/98/04/319839804.db2.gz VVTDXLANXAAKRY-IRXDYDNUSA-N 2 0 345.487 2.089 10 0 EEAERP COc1ccc(CCC2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000574400149 320021675 /nfs/dbraw/zinc/02/16/75/320021675.db2.gz ARVPYHWZHWALCX-UHFFFAOYSA-N 2 0 331.504 2.245 10 0 EEAERP [NH3+]C[C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000579228982 323805598 /nfs/dbraw/zinc/80/55/98/323805598.db2.gz UKLLURXFZKPQRB-QYZOEREBSA-N 2 0 341.430 2.211 10 0 EEAERP CCC[C@H](C(=O)N1CCCN(Cc2cnn(CCC)c2)CC1)[NH+](C)C ZINC000153009567 462605319 /nfs/dbraw/zinc/60/53/19/462605319.db2.gz PNNLTAQGDVMBBP-GOSISDBHSA-N 2 0 349.523 2.058 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358314199 465054621 /nfs/dbraw/zinc/05/46/21/465054621.db2.gz UZSODCVQFRQGMR-JYJNAYRXSA-N 2 0 346.475 2.000 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000351601560 465246678 /nfs/dbraw/zinc/24/66/78/465246678.db2.gz ISSFFCFYVFHILK-GOSISDBHSA-N 2 0 345.487 2.214 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000118785110 462853015 /nfs/dbraw/zinc/85/30/15/462853015.db2.gz VGGOGEQPTOWPFO-QGZVFWFLSA-N 2 0 346.519 2.289 10 0 EEAERP [NH3+][C@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 ZINC000013730939 462902253 /nfs/dbraw/zinc/90/22/53/462902253.db2.gz YTEBHKVWLVDMRI-QGZVFWFLSA-N 2 0 347.413 2.357 10 0 EEAERP COc1ccc(CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000119543205 462909678 /nfs/dbraw/zinc/90/96/78/462909678.db2.gz CZWVOASNKZZLFA-YOFSQIOKSA-N 2 0 343.515 2.481 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000069329734 463230708 /nfs/dbraw/zinc/23/07/08/463230708.db2.gz MDEOIZKGXNVPMX-AWEZNQCLSA-N 2 0 346.450 2.398 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000123656003 463359248 /nfs/dbraw/zinc/35/92/48/463359248.db2.gz HMRRQQNSNKMTNA-ABHNRTSZSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876040 463485063 /nfs/dbraw/zinc/48/50/63/463485063.db2.gz QUUDEDLBVJNVAA-AWEZNQCLSA-N 2 0 346.500 2.441 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000072956385 463565738 /nfs/dbraw/zinc/56/57/38/463565738.db2.gz JIHJYDVBHKXOJA-INIZCTEOSA-N 2 0 344.503 2.455 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000073305471 463601446 /nfs/dbraw/zinc/60/14/46/463601446.db2.gz YKOFCVZQKPKWOO-KRWDZBQOSA-N 2 0 330.476 2.159 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170828675 463716075 /nfs/dbraw/zinc/71/60/75/463716075.db2.gz SFACHEAAUHVLKA-IBGZPJMESA-N 2 0 344.503 2.039 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN1CCOCC1 ZINC000269029852 463849546 /nfs/dbraw/zinc/84/95/46/463849546.db2.gz RYHVAICBLUKWPJ-SVFBPWRDSA-N 2 0 345.531 2.455 10 0 EEAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261868102 463882407 /nfs/dbraw/zinc/88/24/07/463882407.db2.gz NUEOYGVYRCTJOO-MRXNPFEDSA-N 2 0 345.487 2.043 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179189285 464078129 /nfs/dbraw/zinc/07/81/29/464078129.db2.gz MATCEYBAIZQSFH-BPQIPLTHSA-N 2 0 332.492 2.461 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179201866 464081043 /nfs/dbraw/zinc/08/10/43/464081043.db2.gz AQDXTLIXECERDV-KZNAEPCWSA-N 2 0 330.476 2.215 10 0 EEAERP CCC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[NH+](C)C ZINC000179536987 464154016 /nfs/dbraw/zinc/15/40/16/464154016.db2.gz BQPRKYYDHYXVMC-GOSISDBHSA-N 2 0 332.492 2.497 10 0 EEAERP C[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000264787821 464466143 /nfs/dbraw/zinc/46/61/43/464466143.db2.gz CNGMAOXYGOFULM-UHFFFAOYSA-N 2 0 330.476 2.176 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000246519823 464595165 /nfs/dbraw/zinc/59/51/65/464595165.db2.gz UGEQUVRZAMRKHB-SJLPKXTDSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938964 464762209 /nfs/dbraw/zinc/76/22/09/464762209.db2.gz PIYQJZYAAOHQJJ-LNLFQRSKSA-N 2 0 346.519 2.295 10 0 EEAERP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000286284691 464867788 /nfs/dbraw/zinc/86/77/88/464867788.db2.gz WQNASPOJYABXQM-ZVZYQTTQSA-N 2 0 333.476 2.144 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000339939491 465618933 /nfs/dbraw/zinc/61/89/33/465618933.db2.gz CPSJNPRWGOKXQG-FUHWJXTLSA-N 2 0 334.508 2.189 10 0 EEAERP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226121 465655378 /nfs/dbraw/zinc/65/53/78/465655378.db2.gz AOTDPARFHXFWCF-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175176 465815359 /nfs/dbraw/zinc/81/53/59/465815359.db2.gz LUDCDKKLLSFOEE-RVKKMQEKSA-N 2 0 334.483 2.178 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353500580 465935861 /nfs/dbraw/zinc/93/58/61/465935861.db2.gz FZFXWHKECRZKHK-BAGBSZHRSA-N 2 0 340.414 2.167 10 0 EEAERP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340300888 465970592 /nfs/dbraw/zinc/97/05/92/465970592.db2.gz FSIIBYHJNWKQBF-MSOLQXFVSA-N 2 0 330.476 2.169 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000357393861 466001762 /nfs/dbraw/zinc/00/17/62/466001762.db2.gz WBFPIYDDQDHPKG-CYBMUJFWSA-N 2 0 337.439 2.085 10 0 EEAERP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000569349562 468477872 /nfs/dbraw/zinc/47/78/72/468477872.db2.gz NRKJOEVTIUTVDQ-LEUOFYLZSA-N 2 0 348.512 2.458 10 0 EEAERP CN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349788118 466240132 /nfs/dbraw/zinc/24/01/32/466240132.db2.gz WPXAMYVNOMLZBU-ZWKOTPCHSA-N 2 0 330.476 2.167 10 0 EEAERP Cc1cccnc1[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000357873238 466280505 /nfs/dbraw/zinc/28/05/05/466280505.db2.gz QLMSJYSQIULFCF-IBGZPJMESA-N 2 0 344.503 2.420 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000367416141 466322973 /nfs/dbraw/zinc/32/29/73/466322973.db2.gz SUCGFHNXQJPHMK-IBGZPJMESA-N 2 0 342.487 2.141 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000363291526 466328005 /nfs/dbraw/zinc/32/80/05/466328005.db2.gz CMXBHOLPVKYKPD-GOSISDBHSA-N 2 0 334.508 2.298 10 0 EEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000349989079 466340490 /nfs/dbraw/zinc/34/04/90/466340490.db2.gz AZKUCUHZJKPSGA-APWZRJJASA-N 2 0 344.503 2.385 10 0 EEAERP CC1CC[NH+](CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000354228160 466399414 /nfs/dbraw/zinc/39/94/14/466399414.db2.gz PRSDZCXQAOZEDB-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)CC2 ZINC000358093140 466449265 /nfs/dbraw/zinc/44/92/65/466449265.db2.gz AESXEZQAGBDNHE-NXHRZFHOSA-N 2 0 334.508 2.294 10 0 EEAERP C(N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422901360 466686847 /nfs/dbraw/zinc/68/68/47/466686847.db2.gz BVFWRZDJRKUFKF-HSALFYBXSA-N 2 0 335.536 2.388 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423390322 466736806 /nfs/dbraw/zinc/73/68/06/466736806.db2.gz KAHSZHOIHBWUMJ-HEHGZKQESA-N 2 0 325.478 2.097 10 0 EEAERP COCC1(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC[NH2+]CC1 ZINC000423407272 466741716 /nfs/dbraw/zinc/74/17/16/466741716.db2.gz MFYSYESYQIYVJV-GOSISDBHSA-N 2 0 344.434 2.311 10 0 EEAERP CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417201544 466799894 /nfs/dbraw/zinc/79/98/94/466799894.db2.gz WMZGKGKVBBEKTA-TUVJXNFZSA-N 2 0 344.503 2.084 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[NH+]2CCCC2)o1 ZINC000417424833 466856536 /nfs/dbraw/zinc/85/65/36/466856536.db2.gz WISJJTAYXNBYOK-BMFZPTHFSA-N 2 0 334.464 2.022 10 0 EEAERP C[C@H]1CC2(C[N@@H+]1Cc1nnc(-c3ccccc3)n1C)CC[NH2+]CC2 ZINC000424287457 467022229 /nfs/dbraw/zinc/02/22/29/467022229.db2.gz IVBZDJRFPPUWQE-HNNXBMFYSA-N 2 0 325.460 2.446 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000418432151 467110299 /nfs/dbraw/zinc/11/02/99/467110299.db2.gz SJRPJLUWGCOFQN-ZWKOTPCHSA-N 2 0 330.476 2.060 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418555769 467128133 /nfs/dbraw/zinc/12/81/33/467128133.db2.gz DUIWSUUGWOGYSM-LPHOPBHVSA-N 2 0 344.503 2.290 10 0 EEAERP COc1cc(OCC[NH+](C)C)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000413943066 467346800 /nfs/dbraw/zinc/34/68/00/467346800.db2.gz XOORFCGSYKXAJT-UHFFFAOYSA-N 2 0 349.475 2.306 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420309059 467349090 /nfs/dbraw/zinc/34/90/90/467349090.db2.gz SWFHOVHHDCFTSO-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380143085 467371421 /nfs/dbraw/zinc/37/14/21/467371421.db2.gz GUQSFMHJJBLULL-IEBWSBKVSA-N 2 0 329.488 2.499 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380143092 467371453 /nfs/dbraw/zinc/37/14/53/467371453.db2.gz GUQSFMHJJBLULL-PKOBYXMFSA-N 2 0 329.488 2.499 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000414303510 467400564 /nfs/dbraw/zinc/40/05/64/467400564.db2.gz LMUUHWBUWVNDFS-QUCCMNQESA-N 3 0 345.531 2.333 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414746313 467433495 /nfs/dbraw/zinc/43/34/95/467433495.db2.gz YYTHRDKFOUWIEU-HOTGVXAUSA-N 2 0 345.491 2.220 10 0 EEAERP CCn1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397580490 467442406 /nfs/dbraw/zinc/44/24/06/467442406.db2.gz DUQOASXLYVQSNF-UHFFFAOYSA-N 2 0 328.460 2.020 10 0 EEAERP CCn1ccnc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397611379 467443689 /nfs/dbraw/zinc/44/36/89/467443689.db2.gz RKZAVWVTTPJYTK-UHFFFAOYSA-N 2 0 328.460 2.020 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414942472 467454947 /nfs/dbraw/zinc/45/49/47/467454947.db2.gz DNTFGFKZSJWKQT-PKOBYXMFSA-N 2 0 330.520 2.449 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453131871 467461471 /nfs/dbraw/zinc/46/14/71/467461471.db2.gz ULBOAFSXFXHREP-OAHLLOKOSA-N 2 0 328.460 2.194 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000453219302 467468350 /nfs/dbraw/zinc/46/83/50/467468350.db2.gz LXNYACKRZPDBNZ-SFHVURJKSA-N 3 0 333.520 2.250 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000454633934 467605961 /nfs/dbraw/zinc/60/59/61/467605961.db2.gz RRMBCVBMLFITHX-HKUYNNGSSA-N 2 0 344.503 2.244 10 0 EEAERP C[NH+](C)CC(C)(C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457500689 467637851 /nfs/dbraw/zinc/63/78/51/467637851.db2.gz BZJFNXVWQMOSIU-UHFFFAOYSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)N1CCc2ccccc2C1 ZINC000457973236 467743342 /nfs/dbraw/zinc/74/33/42/467743342.db2.gz HLRDEWGHWURXFK-OAHLLOKOSA-N 2 0 334.423 2.397 10 0 EEAERP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000516050780 468010806 /nfs/dbraw/zinc/01/08/06/468010806.db2.gz ZWBKBZJUNHLLFG-GOSISDBHSA-N 2 0 339.395 2.066 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CCC[NH2+]C1 ZINC000517097603 468071896 /nfs/dbraw/zinc/07/18/96/468071896.db2.gz CDPMIHXCTFBJHS-GOSISDBHSA-N 2 0 330.476 2.224 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000594310337 468548559 /nfs/dbraw/zinc/54/85/59/468548559.db2.gz BKYWFXZZOIMIRF-ZACQAIPSSA-N 2 0 333.480 2.493 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000562800619 469076895 /nfs/dbraw/zinc/07/68/95/469076895.db2.gz KMXSOFZIGJHBEP-XLIONFOSSA-N 2 0 344.503 2.292 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCc2nc[nH]c2C1 ZINC000611841753 469332825 /nfs/dbraw/zinc/33/28/25/469332825.db2.gz HQXUPOGTKMGSKK-CQSZACIVSA-N 2 0 330.476 2.428 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000629529180 469573002 /nfs/dbraw/zinc/57/30/02/469573002.db2.gz UPOQCOILRCSAEJ-CQSZACIVSA-N 2 0 343.265 2.488 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617016343 469573672 /nfs/dbraw/zinc/57/36/72/469573672.db2.gz HENWPDARJGLRRT-HNNXBMFYSA-N 2 0 333.476 2.230 10 0 EEAERP C[C@@H]1CC[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660590 469601077 /nfs/dbraw/zinc/60/10/77/469601077.db2.gz WFMCSBBQPTXOHC-AEFFLSMTSA-N 2 0 330.520 2.447 10 0 EEAERP C[NH+]1CCN(C[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398676 469642817 /nfs/dbraw/zinc/64/28/17/469642817.db2.gz MHWCMHAIPWCLRY-VQTJNVASSA-N 2 0 344.547 2.438 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000626921866 469754652 /nfs/dbraw/zinc/75/46/52/469754652.db2.gz QCTHHLAWMYZFDZ-LZQZEXGQSA-N 2 0 346.475 2.058 10 0 EEAERP CC[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000626934655 469760758 /nfs/dbraw/zinc/76/07/58/469760758.db2.gz KSHDOUKBDPIYDX-KFKAGJAMSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@@H](CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000626991881 469780695 /nfs/dbraw/zinc/78/06/95/469780695.db2.gz LYZPJQYKCKYMEA-FUHWJXTLSA-N 2 0 344.503 2.481 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000627034833 469797478 /nfs/dbraw/zinc/79/74/78/469797478.db2.gz MMEBUWYKMOBZFS-STEAMIEHSA-N 2 0 348.491 2.350 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199679 469841607 /nfs/dbraw/zinc/84/16/07/469841607.db2.gz AXWASLUJORUYOU-LMMKCTJWSA-N 2 0 344.503 2.433 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1ccc(C(F)F)nc1)N1CC[NH+](C)CC1 ZINC000631039253 470053573 /nfs/dbraw/zinc/05/35/73/470053573.db2.gz UBKOHHCCBSHLQM-INIZCTEOSA-N 2 0 326.435 2.381 10 0 EEAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3coc(C(F)F)c3)C2)CC1 ZINC000625523037 470160032 /nfs/dbraw/zinc/16/00/32/470160032.db2.gz VKKPWFZMVYVTBA-LBPRGKRZSA-N 2 0 327.375 2.116 10 0 EEAERP CC(C)[C@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC[N@@H+]1C ZINC000634300910 470242290 /nfs/dbraw/zinc/24/22/90/470242290.db2.gz OXGUMTDAYZYJDO-LJQANCHMSA-N 2 0 342.487 2.402 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000634700401 470281155 /nfs/dbraw/zinc/28/11/55/470281155.db2.gz ZKMNJVVZTKEGCK-PMACEKPBSA-N 2 0 332.488 2.284 10 0 EEAERP C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813448 470355698 /nfs/dbraw/zinc/35/56/98/470355698.db2.gz BEYXLVSAHPLECP-YLJYHZDGSA-N 2 0 348.487 2.133 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649288577 470529695 /nfs/dbraw/zinc/52/96/95/470529695.db2.gz ZJQQRSIRQPKQSG-MRXNPFEDSA-N 2 0 345.487 2.056 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000647474442 470910781 /nfs/dbraw/zinc/91/07/81/470910781.db2.gz VDUUAKXFBXOCCQ-OAHLLOKOSA-N 2 0 326.404 2.064 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)C1 ZINC000650715341 470949064 /nfs/dbraw/zinc/94/90/64/470949064.db2.gz YSROKJRXYKLGFR-AEFFLSMTSA-N 2 0 347.478 2.420 10 0 EEAERP C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899123 471010425 /nfs/dbraw/zinc/01/04/25/471010425.db2.gz AEDDHPUYDOPHBQ-HLLBOEOZSA-N 2 0 335.517 2.259 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000647900708 471011652 /nfs/dbraw/zinc/01/16/52/471011652.db2.gz FLKAIWBODHWPHQ-HOCLYGCPSA-N 2 0 345.443 2.208 10 0 EEAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000654522512 471053459 /nfs/dbraw/zinc/05/34/59/471053459.db2.gz BTQWIZDKLKXJAN-CBZIJGRNSA-N 2 0 336.524 2.279 10 0 EEAERP CCC[NH+]1CCC(N(C)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000651192216 471084929 /nfs/dbraw/zinc/08/49/29/471084929.db2.gz FWPAJUOAPQTJFU-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648104016 471088231 /nfs/dbraw/zinc/08/82/31/471088231.db2.gz IYECTQVNIOQIEE-HKUYNNGSSA-N 2 0 341.499 2.298 10 0 EEAERP COc1cc(C)nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536231 471164218 /nfs/dbraw/zinc/16/42/18/471164218.db2.gz YPWQYPBHXPDSSY-UHFFFAOYSA-N 2 0 333.476 2.379 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641027082 471167234 /nfs/dbraw/zinc/16/72/34/471167234.db2.gz ULIATMLEPZRAPQ-QZTJIDSGSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000657573329 471172280 /nfs/dbraw/zinc/17/22/80/471172280.db2.gz JMXCZRZEOHRMHC-AWEZNQCLSA-N 2 0 337.899 2.349 10 0 EEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH2+]C ZINC000652154460 471246509 /nfs/dbraw/zinc/24/65/09/471246509.db2.gz GGVXHSPALKWMIF-GOSISDBHSA-N 2 0 332.492 2.470 10 0 EEAERP C[C@H](NC(=O)NCCC1(C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652176468 471250562 /nfs/dbraw/zinc/25/05/62/471250562.db2.gz HFVMMDLMGJZFFZ-FUHWJXTLSA-N 2 0 344.503 2.325 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000652178234 471251197 /nfs/dbraw/zinc/25/11/97/471251197.db2.gz GTTKXSAFQILVQP-INIZCTEOSA-N 2 0 332.492 2.470 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657954523 471251859 /nfs/dbraw/zinc/25/18/59/471251859.db2.gz TZDKVHBVEKNLRF-MSOLQXFVSA-N 2 0 349.544 2.151 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000652260528 471263367 /nfs/dbraw/zinc/26/33/67/471263367.db2.gz MULZIGAAPWLCLS-RHQZKXFESA-N 2 0 327.472 2.283 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000652285150 471266903 /nfs/dbraw/zinc/26/69/03/471266903.db2.gz NTIYSGYTDDKOSF-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP CCN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000663507043 471404716 /nfs/dbraw/zinc/40/47/16/471404716.db2.gz RQICDFKIKBXQHE-SFHVURJKSA-N 2 0 332.492 2.244 10 0 EEAERP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000655709354 471451974 /nfs/dbraw/zinc/45/19/74/471451974.db2.gz XNCMDTBEWCIHIH-IAGOWNOFSA-N 2 0 349.548 2.253 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659037306 471479434 /nfs/dbraw/zinc/47/94/34/471479434.db2.gz WNDCWBVWOBYAJX-ZTFGCOKTSA-N 2 0 346.475 2.294 10 0 EEAERP C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659040689 471483809 /nfs/dbraw/zinc/48/38/09/471483809.db2.gz FXIGZFALJPBRBY-QAPCUYQASA-N 2 0 346.475 2.201 10 0 EEAERP Cc1cnc(OC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000655948017 471552993 /nfs/dbraw/zinc/55/29/93/471552993.db2.gz WDIKOXVSSYJRCK-UHFFFAOYSA-N 2 0 338.455 2.474 10 0 EEAERP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000659427729 471621523 /nfs/dbraw/zinc/62/15/23/471621523.db2.gz SDTIMWJESCMKBL-XOYHFGRZSA-N 2 0 334.489 2.018 10 0 EEAERP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659430150 471622681 /nfs/dbraw/zinc/62/26/81/471622681.db2.gz BYOUYMYAPQNWCZ-GOSISDBHSA-N 2 0 336.524 2.284 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659580887 471686118 /nfs/dbraw/zinc/68/61/18/471686118.db2.gz WCEDLKDNVHKHRD-BHIYHBOVSA-N 2 0 344.503 2.115 10 0 EEAERP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000667252233 471710511 /nfs/dbraw/zinc/71/05/11/471710511.db2.gz CYJPNJHGIKUZRF-NVXWUHKLSA-N 2 0 341.459 2.397 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000661406201 471747901 /nfs/dbraw/zinc/74/79/01/471747901.db2.gz IXRQVMOTQLBMQE-DLBZAZTESA-N 2 0 336.524 2.280 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(OC(F)F)cc1 ZINC000665179955 471963982 /nfs/dbraw/zinc/96/39/82/471963982.db2.gz IWKFLXKUNVWRPV-UHFFFAOYSA-N 2 0 344.406 2.293 10 0 EEAERP c1cc2c(c([C@@H]3CCC[N@H+]3C[C@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255299 472044420 /nfs/dbraw/zinc/04/44/20/472044420.db2.gz BUHMUGNHYKCYEV-ZBFHGGJFSA-N 2 0 330.428 2.116 10 0 EEAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CCO1 ZINC000662320707 472070401 /nfs/dbraw/zinc/07/04/01/472070401.db2.gz DLEAGRHPIVDNAF-SFHVURJKSA-N 2 0 345.487 2.008 10 0 EEAERP CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000665601739 472106683 /nfs/dbraw/zinc/10/66/83/472106683.db2.gz DIEGTQAAKIAQGB-MRXNPFEDSA-N 2 0 334.464 2.185 10 0 EEAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(C(C)(C)[NH3+])no3)C2)CC1 ZINC000662698912 472213636 /nfs/dbraw/zinc/21/36/36/472213636.db2.gz TZCMMYAYZYBSSU-OAHLLOKOSA-N 2 0 348.491 2.453 10 0 EEAERP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711318 472218806 /nfs/dbraw/zinc/21/88/06/472218806.db2.gz AAOVBCGRMPJYDZ-ZWKOTPCHSA-N 2 0 329.488 2.403 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662728645 472225323 /nfs/dbraw/zinc/22/53/23/472225323.db2.gz AIHPARZWGLYLJQ-ZDUSSCGKSA-N 2 0 336.480 2.499 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000668860338 472301002 /nfs/dbraw/zinc/30/10/02/472301002.db2.gz XGCDGMICDHNTKJ-QAPCUYQASA-N 2 0 330.476 2.080 10 0 EEAERP [NH3+]C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002778 472323563 /nfs/dbraw/zinc/32/35/63/472323563.db2.gz IXMWZCSBNIOEAE-QAPCUYQASA-N 2 0 333.451 2.106 10 0 EEAERP C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1=CC[N@H+](C)CC1 ZINC000679731135 485801227 /nfs/dbraw/zinc/80/12/27/485801227.db2.gz WRNWWESXITXTKI-CYBMUJFWSA-N 2 0 326.404 2.039 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC2(CCC[NH+]2C)CC1 ZINC000680076243 485882496 /nfs/dbraw/zinc/88/24/96/485882496.db2.gz IHDNURPEDUOAPS-IBGZPJMESA-N 2 0 331.504 2.040 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000675624592 486032090 /nfs/dbraw/zinc/03/20/90/486032090.db2.gz WTMBCRFNTMGOIR-YOEHRIQHSA-N 2 0 342.447 2.461 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000415938760 528352429 /nfs/dbraw/zinc/35/24/29/528352429.db2.gz AZNSHKQQEXYISC-QGZVFWFLSA-N 2 0 348.491 2.371 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730736278 577052407 /nfs/dbraw/zinc/05/24/07/577052407.db2.gz RNQWHZZMZASRPC-INIZCTEOSA-N 2 0 340.581 2.399 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730736509 577052824 /nfs/dbraw/zinc/05/28/24/577052824.db2.gz UQHSPFKZDUKFPX-IAGOWNOFSA-N 2 0 338.565 2.296 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000753529114 577789284 /nfs/dbraw/zinc/78/92/84/577789284.db2.gz CEFSJCFDURBXHG-UHFFFAOYSA-N 2 0 328.416 2.161 10 0 EEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938359 681737414 /nfs/dbraw/zinc/73/74/14/681737414.db2.gz KVLDXDZGGSADMO-UXHICEINSA-N 2 0 344.499 2.479 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000895457651 684606740 /nfs/dbraw/zinc/60/67/40/684606740.db2.gz HXNQFNMWKZTVDH-QGZVFWFLSA-N 2 0 328.460 2.216 10 0 EEAERP C[C@H]1C[N@H+](Cc2cccn(C(F)F)c2=O)CCN1c1cc[nH+]cc1 ZINC000895557617 684641684 /nfs/dbraw/zinc/64/16/84/684641684.db2.gz PJUVQLWOKONFLE-ZDUSSCGKSA-N 2 0 334.370 2.349 10 0 EEAERP COc1cccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+]2CCCC2)c1 ZINC000899968073 693947132 /nfs/dbraw/zinc/94/71/32/693947132.db2.gz BWOBVHJWGYOYMG-GOSISDBHSA-N 2 0 343.471 2.044 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925221606 687706204 /nfs/dbraw/zinc/70/62/04/687706204.db2.gz NAHYHNITVNABEA-IGOJGBNBSA-N 2 0 332.488 2.404 10 0 EEAERP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898613811 693395976 /nfs/dbraw/zinc/39/59/76/693395976.db2.gz UIBBBJCDTJQEAD-SFHVURJKSA-N 2 0 327.472 2.205 10 0 EEAERP CC[N@H+](CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)C1CC1 ZINC000899049382 693584197 /nfs/dbraw/zinc/58/41/97/693584197.db2.gz PZCWOIZJDODHIA-UHFFFAOYSA-N 2 0 335.839 2.134 10 0 EEAERP COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC001485570791 1191839964 /nfs/dbraw/zinc/83/99/64/1191839964.db2.gz XDXWEPYVNMULQB-QGZVFWFLSA-N 2 0 344.459 2.119 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001485694453 1191902493 /nfs/dbraw/zinc/90/24/93/1191902493.db2.gz JDIPNWUXNWJARW-SAZUREKKSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001485722037 1191909688 /nfs/dbraw/zinc/90/96/88/1191909688.db2.gz CDPYSASJMOEMIX-RHSMWYFYSA-N 2 0 335.496 2.321 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001485726840 1191912007 /nfs/dbraw/zinc/91/20/07/1191912007.db2.gz HTMZWXLUUQYWCP-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC001485728318 1191919867 /nfs/dbraw/zinc/91/98/67/1191919867.db2.gz XSVCFKDUHGFMEZ-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C[C@@H]1CCC(F)(F)C1 ZINC001480872359 1176509511 /nfs/dbraw/zinc/50/95/11/1176509511.db2.gz YUNSTCSGHISGLD-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)n1 ZINC001266527471 1176745508 /nfs/dbraw/zinc/74/55/08/1176745508.db2.gz UZJSMLVLAPMNGS-INIZCTEOSA-N 2 0 349.523 2.075 10 0 EEAERP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCCF ZINC001670581304 1176924216 /nfs/dbraw/zinc/92/42/16/1176924216.db2.gz GOKSJCCXMGWHDC-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP c1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CCC5(C[NH2+]C5)O4)C3)nc2c1 ZINC001772528121 1177029069 /nfs/dbraw/zinc/02/90/69/1177029069.db2.gz BROTYWFXMWSUIH-CABCVRRESA-N 2 0 326.444 2.263 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001266804392 1177457467 /nfs/dbraw/zinc/45/74/67/1177457467.db2.gz HESGXLUVQRTKFT-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001266873530 1177675189 /nfs/dbraw/zinc/67/51/89/1177675189.db2.gz ZTBKNLFSLAJSDH-GOSISDBHSA-N 2 0 347.503 2.021 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccccc1Cl ZINC001266926975 1177821701 /nfs/dbraw/zinc/82/17/01/1177821701.db2.gz FSZCBZUCIGGMIF-YOEHRIQHSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001267138797 1178312489 /nfs/dbraw/zinc/31/24/89/1178312489.db2.gz BRNCEEZIKPDKLP-ZWKOTPCHSA-N 2 0 347.503 2.261 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267567842 1179382467 /nfs/dbraw/zinc/38/24/67/1179382467.db2.gz QONOWFPYQHSECW-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC(F)(F)C1 ZINC001480981952 1179420217 /nfs/dbraw/zinc/42/02/17/1179420217.db2.gz FOZNTXPWYZCJIW-UHFFFAOYSA-N 2 0 343.462 2.346 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccc2cc[nH]c2c1 ZINC001481018594 1179506029 /nfs/dbraw/zinc/50/60/29/1179506029.db2.gz CWMPIGFBLNSSMP-UHFFFAOYSA-N 2 0 330.476 2.446 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC001481071051 1179680042 /nfs/dbraw/zinc/68/00/42/1179680042.db2.gz LFUWCCLSQMNQDM-AWEZNQCLSA-N 2 0 335.414 2.395 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481111248 1179762485 /nfs/dbraw/zinc/76/24/85/1179762485.db2.gz BQIPNELYGMFEEQ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC[N@H+](CCc1ccccc1)C1CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001481195041 1180063701 /nfs/dbraw/zinc/06/37/01/1180063701.db2.gz DMOLDVXPVBLIIC-NRFANRHFSA-N 2 0 341.499 2.296 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCF)[C@@H](C)C2)CC1 ZINC001496361053 1180521874 /nfs/dbraw/zinc/52/18/74/1180521874.db2.gz NPFQELWDOYXFEM-DOTOQJQBSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)cc(C)c1 ZINC001267828966 1180598264 /nfs/dbraw/zinc/59/82/64/1180598264.db2.gz KLYQDZWPQSCACJ-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267933392 1180785582 /nfs/dbraw/zinc/78/55/82/1180785582.db2.gz HRAOVHCRUPKRQW-ULQDDVLXSA-N 2 0 327.513 2.015 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001267964072 1180859878 /nfs/dbraw/zinc/85/98/78/1180859878.db2.gz ZLZZSDYOGHMKIK-OXUBUWLOSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCc1ccccc1Cl ZINC001267998698 1180945936 /nfs/dbraw/zinc/94/59/36/1180945936.db2.gz LISSLQVOEYYNIY-WMLDXEAASA-N 2 0 337.895 2.319 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481334872 1181059844 /nfs/dbraw/zinc/05/98/44/1181059844.db2.gz BAEZFQINSYTMSE-GOEBONIOSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481341968 1181072735 /nfs/dbraw/zinc/07/27/35/1181072735.db2.gz LQTZXZQULICYAR-INIZCTEOSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001481343494 1181076950 /nfs/dbraw/zinc/07/69/50/1181076950.db2.gz ULOULCYUUNWFOH-CQSZACIVSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@@H]1CCCCO1 ZINC001481358491 1181117808 /nfs/dbraw/zinc/11/78/08/1181117808.db2.gz UCLKDLOUMGUFSX-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccns1 ZINC001268140041 1181800228 /nfs/dbraw/zinc/80/02/28/1181800228.db2.gz HMPKEWNKEOSMKP-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(CCc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001268154316 1181849311 /nfs/dbraw/zinc/84/93/11/1181849311.db2.gz LQAUQEKTROLPQE-ROUUACIJSA-N 2 0 348.491 2.272 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268195397 1181989296 /nfs/dbraw/zinc/98/92/96/1181989296.db2.gz KIFDYNUWLMMPJC-UONOGXRCSA-N 2 0 347.425 2.251 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCC1 ZINC001691500456 1182066874 /nfs/dbraw/zinc/06/68/74/1182066874.db2.gz PCDRSAGBVZAYJC-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001268351508 1182311672 /nfs/dbraw/zinc/31/16/72/1182311672.db2.gz VHFBUEOLSUNGBD-RDJZCZTQSA-N 2 0 333.476 2.082 10 0 EEAERP Cn1cncc1CC(=O)N(CC[NH2+]C/C=C\Cl)Cc1ccccc1 ZINC001279318280 1182344762 /nfs/dbraw/zinc/34/47/62/1182344762.db2.gz KDAUFDCNUKLTEB-YVMONPNESA-N 2 0 346.862 2.334 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268385226 1182418626 /nfs/dbraw/zinc/41/86/26/1182418626.db2.gz KBOCYBUVVLSMAI-UONOGXRCSA-N 2 0 333.411 2.113 10 0 EEAERP CCN(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCOC)C1)c1ccccc1 ZINC001481746148 1182504012 /nfs/dbraw/zinc/50/40/12/1182504012.db2.gz AIYIXHBXJSGCLT-MOPGFXCFSA-N 2 0 347.503 2.249 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001481753735 1182552613 /nfs/dbraw/zinc/55/26/13/1182552613.db2.gz XSXZVMNEKJIORG-SFHVURJKSA-N 2 0 332.492 2.071 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001268425675 1182593108 /nfs/dbraw/zinc/59/31/08/1182593108.db2.gz GWLAYKNHJOIEGU-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001481782407 1182694543 /nfs/dbraw/zinc/69/45/43/1182694543.db2.gz PNJHGVQLGPBJKE-IBGZPJMESA-N 2 0 329.488 2.248 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001481933150 1182980798 /nfs/dbraw/zinc/98/07/98/1182980798.db2.gz XTHJPZJZLHNNHN-QUCCMNQESA-N 2 0 344.503 2.331 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001481998547 1183106802 /nfs/dbraw/zinc/10/68/02/1183106802.db2.gz AMZRLAIHXHBNCK-IBGZPJMESA-N 2 0 333.520 2.347 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001268540833 1183208406 /nfs/dbraw/zinc/20/84/06/1183208406.db2.gz AKRVESVKCVBLGZ-ZMGAVLDPSA-N 2 0 329.488 2.406 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC001268588074 1183385437 /nfs/dbraw/zinc/38/54/37/1183385437.db2.gz NYILEDRLBLREMJ-NSCUHMNNSA-N 2 0 337.414 2.069 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001482164582 1183489537 /nfs/dbraw/zinc/48/95/37/1183489537.db2.gz WEOLMWBHHWSADZ-GXTWGEPZSA-N 2 0 342.434 2.428 10 0 EEAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001269436753 1184266603 /nfs/dbraw/zinc/26/66/03/1184266603.db2.gz ANUPQIFMYDSXMQ-IRXDYDNUSA-N 2 0 337.508 2.057 10 0 EEAERP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001482238326 1184526552 /nfs/dbraw/zinc/52/65/52/1184526552.db2.gz OAWBXDWLNNHTSY-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001269765943 1184602567 /nfs/dbraw/zinc/60/25/67/1184602567.db2.gz NWDKSRNQDFJSJE-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1)[NH+](C)C ZINC001269877058 1184687252 /nfs/dbraw/zinc/68/72/52/1184687252.db2.gz AQCUJYATJIXUCL-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2ocnc2C)CC1 ZINC001269934761 1184727485 /nfs/dbraw/zinc/72/74/85/1184727485.db2.gz BAGGRYLVFQSDLG-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC001269952452 1184740145 /nfs/dbraw/zinc/74/01/45/1184740145.db2.gz XPSXDAFWIUNBLE-UHFFFAOYSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001269981413 1184763270 /nfs/dbraw/zinc/76/32/70/1184763270.db2.gz LQPRFYIHDNLRML-HZPDHXFCSA-N 2 0 336.480 2.184 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508380 1185363277 /nfs/dbraw/zinc/36/32/77/1185363277.db2.gz MCFXVLBZAFXDME-WMZOPIPTSA-N 2 0 333.451 2.391 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001482431956 1185698147 /nfs/dbraw/zinc/69/81/47/1185698147.db2.gz DJHABUGPWZBTNK-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]Cc1nccs1 ZINC001482459931 1185922290 /nfs/dbraw/zinc/92/22/90/1185922290.db2.gz HAQIUAYWOQHOND-OAHLLOKOSA-N 2 0 336.505 2.100 10 0 EEAERP CCc1ccccc1[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCF ZINC001271449110 1186242492 /nfs/dbraw/zinc/24/24/92/1186242492.db2.gz ZBJPIRZDNWYFBE-SFHVURJKSA-N 2 0 347.478 2.451 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001271674356 1186366587 /nfs/dbraw/zinc/36/65/87/1186366587.db2.gz XJQOGNVLLDFAGG-SJORKVTESA-N 2 0 341.540 2.073 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001482867044 1187786793 /nfs/dbraw/zinc/78/67/93/1187786793.db2.gz FJOMSYKZOGCZSK-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482885302 1187801645 /nfs/dbraw/zinc/80/16/45/1187801645.db2.gz FYVHNCNIIGQFHK-KRWDZBQOSA-N 2 0 346.519 2.495 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)Cn1ccnc1C ZINC001482968582 1187906470 /nfs/dbraw/zinc/90/64/70/1187906470.db2.gz PMJXBQKMFDYGOM-UHFFFAOYSA-N 2 0 332.423 2.277 10 0 EEAERP C[C@]1(C[NH2+]CCCCCF)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671735143 1193530745 /nfs/dbraw/zinc/53/07/45/1193530745.db2.gz HZHIKHHNFPFUNH-IEBWSBKVSA-N 2 0 339.499 2.296 10 0 EEAERP Cc1cnc([C@H](C)NC/C=C\CNC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483025902 1188028131 /nfs/dbraw/zinc/02/81/31/1188028131.db2.gz ZXIHUNQEZKBGNE-QGZUEGPWSA-N 2 0 346.475 2.182 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]Cc1cccc(N(C)C)c1 ZINC001691619094 1188319703 /nfs/dbraw/zinc/31/97/03/1188319703.db2.gz BJTJEVDKGVLMKM-CALCHBBNSA-N 2 0 346.519 2.173 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001483082252 1188445066 /nfs/dbraw/zinc/44/50/66/1188445066.db2.gz NDOOWICICWOWAH-PHWHVTFISA-N 2 0 329.488 2.353 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001483099273 1188475720 /nfs/dbraw/zinc/47/57/20/1188475720.db2.gz WYJIAEVJQVXDDY-UCFODXPJSA-N 2 0 329.488 2.366 10 0 EEAERP C[C@H](C[NH2+]CCC1CCOCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483175968 1189027326 /nfs/dbraw/zinc/02/73/26/1189027326.db2.gz GEHWDXFGFNPPSR-MRXNPFEDSA-N 2 0 347.503 2.273 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccc(OC)cc1 ZINC001483197301 1189081773 /nfs/dbraw/zinc/08/17/73/1189081773.db2.gz DYSQKRANNSVOAL-VQIMIIECSA-N 2 0 347.503 2.206 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001409414278 1189645418 /nfs/dbraw/zinc/64/54/18/1189645418.db2.gz RXQVGSMODMSJHW-GJZGRUSLSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001409424017 1189656066 /nfs/dbraw/zinc/65/60/66/1189656066.db2.gz ZRQVOVGYLGOXCI-HUUCEWRRSA-N 2 0 338.521 2.166 10 0 EEAERP CCC1([NH+]2CCC2)CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000905585993 1189795407 /nfs/dbraw/zinc/79/54/07/1189795407.db2.gz UGXFOUDXWJUFOG-UHFFFAOYSA-N 2 0 340.581 2.399 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]2CC[NH+](C)C2)cc1C ZINC001409661087 1190158705 /nfs/dbraw/zinc/15/87/05/1190158705.db2.gz ZLPQVSNXVAXLRH-WMZOPIPTSA-N 2 0 347.503 2.282 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001409761737 1190251158 /nfs/dbraw/zinc/25/11/58/1190251158.db2.gz KLODPSMPAKOKIS-HZPDHXFCSA-N 2 0 345.478 2.446 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001409762898 1190252733 /nfs/dbraw/zinc/25/27/33/1190252733.db2.gz OECUDZIRVBYWOK-ZWKOTPCHSA-N 2 0 346.519 2.304 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001483272120 1190296598 /nfs/dbraw/zinc/29/65/98/1190296598.db2.gz KROHIGFAWAQGEU-WMZOPIPTSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccn1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483347560 1190383031 /nfs/dbraw/zinc/38/30/31/1190383031.db2.gz LKKRKTLRCKAVIO-VQIMIIECSA-N 2 0 344.503 2.425 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CCC(F)(F)F)C1 ZINC001483376273 1190417161 /nfs/dbraw/zinc/41/71/61/1190417161.db2.gz FUYIOMZXNBGSET-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP CO[C@@H](C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001483474405 1190495968 /nfs/dbraw/zinc/49/59/68/1190495968.db2.gz KCCIDPAADYRNDM-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c2ncccn2)C1 ZINC001483486590 1190506731 /nfs/dbraw/zinc/50/67/31/1190506731.db2.gz IXJREGYRZQBZNB-SJORKVTESA-N 2 0 347.507 2.098 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001483511962 1190525712 /nfs/dbraw/zinc/52/57/12/1190525712.db2.gz LNXXXYWWZLNQJX-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001483694283 1190769175 /nfs/dbraw/zinc/76/91/75/1190769175.db2.gz VGWVNTHLZJFKFG-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1CC/C=C\c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483694284 1190769608 /nfs/dbraw/zinc/76/96/08/1190769608.db2.gz LFGKICYXTALOMU-LKJUBWIJSA-N 2 0 339.483 2.376 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001272547989 1190874707 /nfs/dbraw/zinc/87/47/07/1190874707.db2.gz ZUICLZWLCJYKBZ-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483767465 1191001109 /nfs/dbraw/zinc/00/11/09/1191001109.db2.gz KUBUAYOVDNYFDF-HNNXBMFYSA-N 2 0 340.471 2.248 10 0 EEAERP CC[C@H](F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001483805169 1191051511 /nfs/dbraw/zinc/05/15/11/1191051511.db2.gz DZYPAWZABVOQGW-XYTVBORESA-N 2 0 337.483 2.332 10 0 EEAERP CCc1nc(C)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)o1 ZINC001483810982 1191055679 /nfs/dbraw/zinc/05/56/79/1191055679.db2.gz AREPRAZZEJUUGT-CVEARBPZSA-N 2 0 348.491 2.062 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)o1 ZINC001483915884 1191115223 /nfs/dbraw/zinc/11/52/23/1191115223.db2.gz JFANFSFOTTXFBZ-GDBMZVCRSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001483910466 1191120968 /nfs/dbraw/zinc/12/09/68/1191120968.db2.gz ZNSLXYWVHZUDFX-FUHWJXTLSA-N 2 0 346.519 2.173 10 0 EEAERP CC1CC(C[N@@H+]2CCC[C@](C)(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001484171769 1191257829 /nfs/dbraw/zinc/25/78/29/1191257829.db2.gz AFWDNUFOYQCZFV-FAFZWHIHSA-N 2 0 333.520 2.347 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1conc1C)C2 ZINC001484321579 1191303756 /nfs/dbraw/zinc/30/37/56/1191303756.db2.gz NTOKNYWTJKHRTN-SZMVWBNQSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H]([NH2+]CCOC1CCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484344878 1191312534 /nfs/dbraw/zinc/31/25/34/1191312534.db2.gz PWXNZRNBDOOEGH-DLBZAZTESA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001484359612 1191315332 /nfs/dbraw/zinc/31/53/32/1191315332.db2.gz XDUVDVBIFKDULB-NVXWUHKLSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001484395716 1191329704 /nfs/dbraw/zinc/32/97/04/1191329704.db2.gz CKGOZUBTHRFDCK-IYARVYRRSA-N 2 0 346.519 2.354 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001484524516 1191398055 /nfs/dbraw/zinc/39/80/55/1191398055.db2.gz IOZOPPWFVKSDLR-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)oc1C ZINC001484524640 1191398101 /nfs/dbraw/zinc/39/81/01/1191398101.db2.gz KXGAOTJGUHRSLM-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)[N@@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@H](C)C3)cccc2C1 ZINC001484612639 1191437854 /nfs/dbraw/zinc/43/78/54/1191437854.db2.gz KATOKDGQQDDWSX-INIZCTEOSA-N 2 0 329.488 2.411 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484640635 1191450267 /nfs/dbraw/zinc/45/02/67/1191450267.db2.gz DVJLEKQMZKHAFI-HZPDHXFCSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC001484726689 1191486363 /nfs/dbraw/zinc/48/63/63/1191486363.db2.gz OSEGEIXAGHDERY-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1)[NH+](C)C ZINC001484864309 1191555264 /nfs/dbraw/zinc/55/52/64/1191555264.db2.gz FCTPNNXMXWOCQX-OAHLLOKOSA-N 2 0 327.513 2.018 10 0 EEAERP CC(C)COCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484918223 1191574616 /nfs/dbraw/zinc/57/46/16/1191574616.db2.gz HFMPGGUFTNHBHO-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(CN2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988175 1191604393 /nfs/dbraw/zinc/60/43/93/1191604393.db2.gz QWKLEBWSKOLWJM-ZFWWWQNUSA-N 2 0 338.521 2.261 10 0 EEAERP COc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001485155832 1191668389 /nfs/dbraw/zinc/66/83/89/1191668389.db2.gz LGWLDRSRFSTJGM-HZPDHXFCSA-N 2 0 347.503 2.205 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001485195100 1191687938 /nfs/dbraw/zinc/68/79/38/1191687938.db2.gz RWVULRFURLHZPT-KGLIPLIRSA-N 2 0 340.537 2.412 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214570 1191696341 /nfs/dbraw/zinc/69/63/41/1191696341.db2.gz GSYXJMRROPRHDJ-JKSUJKDBSA-N 2 0 347.503 2.084 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001485241408 1191706286 /nfs/dbraw/zinc/70/62/86/1191706286.db2.gz FRHSJZJNZATZMA-OWKKTOMHSA-N 2 0 327.900 2.440 10 0 EEAERP COCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485300384 1191725808 /nfs/dbraw/zinc/72/58/08/1191725808.db2.gz DJXRNGUTFDIMEI-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001485357181 1191761263 /nfs/dbraw/zinc/76/12/63/1191761263.db2.gz IVVJOEUHCGFKCK-INIZCTEOSA-N 2 0 346.519 2.367 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)CCO1 ZINC001485455022 1191791590 /nfs/dbraw/zinc/79/15/90/1191791590.db2.gz QBMGIBKZVCLEKS-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)C1 ZINC001485455852 1191792005 /nfs/dbraw/zinc/79/20/05/1191792005.db2.gz YBRVMEKELWOETB-KRWDZBQOSA-N 2 0 344.503 2.332 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC[C@@H]2CCCO2)CC3)CC1 ZINC001486149210 1193699883 /nfs/dbraw/zinc/69/98/83/1193699883.db2.gz OOIFRKSTOXBBQL-ZWOKBUDYSA-N 2 0 349.519 2.011 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001486180908 1193717790 /nfs/dbraw/zinc/71/77/90/1193717790.db2.gz KXADJAGOMDHIGD-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001486182144 1193719123 /nfs/dbraw/zinc/71/91/23/1193719123.db2.gz XLLHLSXQBADBFQ-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ncccc2C)C(C)(C)C1 ZINC001486246723 1193773368 /nfs/dbraw/zinc/77/33/68/1193773368.db2.gz QJSYLMQGRHVMDX-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC001486389952 1193908992 /nfs/dbraw/zinc/90/89/92/1193908992.db2.gz FHVDSUJLLVXHRH-UONOGXRCSA-N 2 0 331.451 2.246 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001486451913 1193966852 /nfs/dbraw/zinc/96/68/52/1193966852.db2.gz CBQWNKSDWXSKRJ-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001691844138 1194299869 /nfs/dbraw/zinc/29/98/69/1194299869.db2.gz ANVPKYADXVQGIC-IKGGRYGDSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccccc1CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273175870 1197344592 /nfs/dbraw/zinc/34/45/92/1197344592.db2.gz LPNXNJIINAFDDZ-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP C[N@H+](CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21)C1CCCCC1 ZINC001410096409 1197549284 /nfs/dbraw/zinc/54/92/84/1197549284.db2.gz BREQUWXVPFCWPA-NNZMDNLPSA-N 2 0 339.499 2.295 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]32)CC1 ZINC001410125612 1197557621 /nfs/dbraw/zinc/55/76/21/1197557621.db2.gz ZYVDWAPTAWYKHF-NNZMDNLPSA-N 2 0 347.528 2.274 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3conc3C)C[C@@H]2C1 ZINC001410179884 1197588070 /nfs/dbraw/zinc/58/80/70/1197588070.db2.gz HXXHJHHUUNVXHN-SOLBZPMBSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001410384907 1197784004 /nfs/dbraw/zinc/78/40/04/1197784004.db2.gz QREHZBVXGZCZDP-NJZAAPMLSA-N 2 0 338.521 2.037 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872027448 1198030016 /nfs/dbraw/zinc/03/00/16/1198030016.db2.gz JREAWWCMNATSBZ-SFHVURJKSA-N 2 0 344.503 2.415 10 0 EEAERP [NH3+]C[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000872150625 1198059630 /nfs/dbraw/zinc/05/96/30/1198059630.db2.gz GCYUSSMJCBBLCB-UONOGXRCSA-N 2 0 335.414 2.142 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000872200336 1198081421 /nfs/dbraw/zinc/08/14/21/1198081421.db2.gz ZPHNYQUGZDAJIN-HNNXBMFYSA-N 2 0 326.506 2.072 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000872228233 1198098872 /nfs/dbraw/zinc/09/88/72/1198098872.db2.gz GIRDNHDFOUZSPA-CKDBGZEDSA-N 2 0 326.506 2.478 10 0 EEAERP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)CC(F)F ZINC000865574466 1198282435 /nfs/dbraw/zinc/28/24/35/1198282435.db2.gz XJHYTPJVFKONQV-MNOVXSKESA-N 2 0 344.406 2.405 10 0 EEAERP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCc2nc[nH]c2C1)CC(F)F ZINC000865574467 1198282737 /nfs/dbraw/zinc/28/27/37/1198282737.db2.gz XJHYTPJVFKONQV-QWRGUYRKSA-N 2 0 344.406 2.405 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC2(C)C)c1 ZINC001410976091 1198654481 /nfs/dbraw/zinc/65/44/81/1198654481.db2.gz GONOOUSUKFTJPQ-KRWDZBQOSA-N 2 0 344.503 2.058 10 0 EEAERP COc1cccc(C[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)c1 ZINC001410984297 1198660600 /nfs/dbraw/zinc/66/06/00/1198660600.db2.gz MELDDIAKCMGMDR-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP CC[C@H]1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875632829 1199325973 /nfs/dbraw/zinc/32/59/73/1199325973.db2.gz JNLZVOSSKBCVNY-BSDSXHPESA-N 2 0 338.540 2.194 10 0 EEAERP C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020141 1200410941 /nfs/dbraw/zinc/41/09/41/1200410941.db2.gz FDHHJYHJRBGKLB-TXTZYTMVSA-N 2 0 347.478 2.427 10 0 EEAERP CCc1nccn1[C@@H](C)CC(=O)N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC000870093879 1200463397 /nfs/dbraw/zinc/46/33/97/1200463397.db2.gz XPWLZLQUQZBMRN-WMLDXEAASA-N 2 0 342.443 2.275 10 0 EEAERP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000870881027 1200928932 /nfs/dbraw/zinc/92/89/32/1200928932.db2.gz YKMAMTKNRAYGNJ-QMTHXVAHSA-N 2 0 340.265 2.048 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[N@@H+]1C ZINC000870893263 1200936872 /nfs/dbraw/zinc/93/68/72/1200936872.db2.gz LLRMMRXGGOIKRG-HONMWMINSA-N 2 0 340.265 2.048 10 0 EEAERP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CCC1(C)C ZINC000871158033 1201078603 /nfs/dbraw/zinc/07/86/03/1201078603.db2.gz KXSUDQDTTKACSR-SFHVURJKSA-N 2 0 329.488 2.451 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866526252 1201541809 /nfs/dbraw/zinc/54/18/09/1201541809.db2.gz HKVDSABVTBCCFZ-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@H](C)C1 ZINC000866575130 1201551341 /nfs/dbraw/zinc/55/13/41/1201551341.db2.gz IOEXVIJAOOYRKW-QAPCUYQASA-N 2 0 330.476 2.032 10 0 EEAERP Cc1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)nc1Cl ZINC000866666170 1201574170 /nfs/dbraw/zinc/57/41/70/1201574170.db2.gz MFHFHXNVTROTPU-UHFFFAOYSA-N 2 0 346.866 2.118 10 0 EEAERP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710626 1201586623 /nfs/dbraw/zinc/58/66/23/1201586623.db2.gz QXSMADZCKXJBFS-RKLWJJNISA-N 2 0 335.835 2.268 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000868234293 1201772495 /nfs/dbraw/zinc/77/24/95/1201772495.db2.gz MHFVRAHNANDWQR-SJLPKXTDSA-N 2 0 330.476 2.347 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]Cc2ccccn2)ccc2c[nH+]cn21 ZINC001274151704 1204410424 /nfs/dbraw/zinc/41/04/24/1204410424.db2.gz BWEPGSJAGFRFRS-PLNGDYQASA-N 2 0 335.411 2.114 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001274263022 1204980051 /nfs/dbraw/zinc/98/00/51/1204980051.db2.gz LVZNZISOTDHWMM-GUAAIFQUSA-N 2 0 337.414 2.382 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001274367667 1205011462 /nfs/dbraw/zinc/01/14/62/1205011462.db2.gz DNMSINXQGUASBT-VNHAASDWSA-N 2 0 343.462 2.416 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001280681996 1205048678 /nfs/dbraw/zinc/04/86/78/1205048678.db2.gz MCRNGKPMJOZZJF-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001274986429 1205225916 /nfs/dbraw/zinc/22/59/16/1205225916.db2.gz RRHPFVBOWCCVMH-HFTQHKIXSA-N 2 0 327.472 2.280 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001275677372 1205479343 /nfs/dbraw/zinc/47/93/43/1205479343.db2.gz YAPKZFBHWCMOHD-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC001412434713 1205724342 /nfs/dbraw/zinc/72/43/42/1205724342.db2.gz NAAPFBSQSKGIKO-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000925158897 1206077808 /nfs/dbraw/zinc/07/78/08/1206077808.db2.gz SXONRGQCXISHBY-RTHVDDQRSA-N 2 0 328.435 2.484 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)CC1 ZINC000925474575 1206116579 /nfs/dbraw/zinc/11/65/79/1206116579.db2.gz CRGPFGBKTNSDSK-UFYCRDLUSA-N 3 0 344.547 2.471 10 0 EEAERP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925521187 1206122548 /nfs/dbraw/zinc/12/25/48/1206122548.db2.gz IYDKGQCWICWXPE-MOPGFXCFSA-N 2 0 329.488 2.347 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C[C@@H]([NH3+])C1 ZINC000925544418 1206125811 /nfs/dbraw/zinc/12/58/11/1206125811.db2.gz RAJKSQCWVSWIEC-MSOLQXFVSA-N 3 0 345.535 2.089 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000925808199 1206156112 /nfs/dbraw/zinc/15/61/12/1206156112.db2.gz AWRULADTOPSSIP-FXAWDEMLSA-N 2 0 330.520 2.052 10 0 EEAERP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCN1CCC([NH3+])CC1)CCC2 ZINC000925813423 1206156838 /nfs/dbraw/zinc/15/68/38/1206156838.db2.gz VLXCKSRWUWONMF-OAHLLOKOSA-N 2 0 349.475 2.155 10 0 EEAERP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851539 1206160939 /nfs/dbraw/zinc/16/09/39/1206160939.db2.gz FZFXXKAWEYXZCM-LSDHHAIUSA-N 2 0 332.444 2.340 10 0 EEAERP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852686 1206160996 /nfs/dbraw/zinc/16/09/96/1206160996.db2.gz PVJAWAXXCJPLLO-GOEBONIOSA-N 2 0 334.435 2.422 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1cc(O)cc(F)c1)C(=O)NCC[NH+](C)C ZINC000925954402 1206174109 /nfs/dbraw/zinc/17/41/09/1206174109.db2.gz NODMCSHKKRRHRW-DYVFJYSZSA-N 2 0 339.455 2.274 10 0 EEAERP Cc1ccc(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000926043064 1206185136 /nfs/dbraw/zinc/18/51/36/1206185136.db2.gz QQCNEUGWCQKILO-HZPDHXFCSA-N 2 0 348.491 2.384 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC3(CCC3)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136948 1206537023 /nfs/dbraw/zinc/53/70/23/1206537023.db2.gz PUXPFAMKQOJGJD-CEXWTWQISA-N 2 0 335.536 2.436 10 0 EEAERP CON1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000930137622 1206537143 /nfs/dbraw/zinc/53/71/43/1206537143.db2.gz ISYCCKRHACOTKU-SFHVURJKSA-N 2 0 343.471 2.137 10 0 EEAERP C[C@H](C(=O)N(C)C)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215154 1206616513 /nfs/dbraw/zinc/61/65/13/1206616513.db2.gz DZKHDUYDNQAOKW-UXPWSPDFSA-N 2 0 329.488 2.307 10 0 EEAERP CC(C)(C)OC(=O)N1CC[C@H](CN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931512954 1207402042 /nfs/dbraw/zinc/40/20/42/1207402042.db2.gz OYAGBTCCHOPYNW-CYBMUJFWSA-N 2 0 332.448 2.279 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1cccs1 ZINC000900825699 1234870671 /nfs/dbraw/zinc/87/06/71/1234870671.db2.gz AJOYWQNKYFCLSA-GDBMZVCRSA-N 2 0 333.501 2.343 10 0 EEAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000900905468 1234983132 /nfs/dbraw/zinc/98/31/32/1234983132.db2.gz VMANHYMMGKLGKD-IBGZPJMESA-N 2 0 341.499 2.453 10 0 EEAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1COc2ccccc2C1 ZINC000902800935 1238561182 /nfs/dbraw/zinc/56/11/82/1238561182.db2.gz XQHQMXJLSWFLFN-WDSOQIARSA-N 2 0 332.488 2.453 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000902904187 1239003056 /nfs/dbraw/zinc/00/30/56/1239003056.db2.gz JZGCCMPWNUFLOP-IRXDYDNUSA-N 2 0 348.516 2.450 10 0 EEAERP CCOC(=O)c1sc([C@H]2CC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)nc1C ZINC000903482659 1240613818 /nfs/dbraw/zinc/61/38/18/1240613818.db2.gz OGPSPPCWDAMPIB-XBFCOCLRSA-N 2 0 337.489 2.273 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903498944 1240684504 /nfs/dbraw/zinc/68/45/04/1240684504.db2.gz OWSXAKYWTHBWEF-XNHCWWPPSA-N 2 0 332.444 2.168 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892536 1242358903 /nfs/dbraw/zinc/35/89/03/1242358903.db2.gz JOMGSAYUELRTPK-PBHICJAKSA-N 2 0 330.476 2.115 10 0 EEAERP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCN(c2cnccn2)CC1 ZINC000903910530 1242441833 /nfs/dbraw/zinc/44/18/33/1242441833.db2.gz NFEZKZDDQCQJEK-UHFFFAOYSA-N 2 0 337.471 2.223 10 0 EEAERP OC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000903939882 1242600798 /nfs/dbraw/zinc/60/07/98/1242600798.db2.gz PQOPNBRKUULBHH-RRCSTGOVSA-N 2 0 339.277 2.460 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903974526 1242811767 /nfs/dbraw/zinc/81/17/67/1242811767.db2.gz QNJIIMCANPBRFR-QLFBSQMISA-N 2 0 349.475 2.256 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc3nc(C)ccc3c1)C2 ZINC000903977190 1242825411 /nfs/dbraw/zinc/82/54/11/1242825411.db2.gz LGOBBJGODQMEBD-QKLQHJQFSA-N 2 0 339.439 2.256 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903981283 1242848994 /nfs/dbraw/zinc/84/89/94/1242848994.db2.gz AUERBWZBZIATAF-HZPDHXFCSA-N 2 0 345.409 2.339 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379351 1243330513 /nfs/dbraw/zinc/33/05/13/1243330513.db2.gz BYGMWPWEFNIGGS-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)C[NH+]1CCCC1 ZINC001276386549 1255490984 /nfs/dbraw/zinc/49/09/84/1255490984.db2.gz FACKOMYNTILCGK-UHFFFAOYSA-N 2 0 340.471 2.269 10 0 EEAERP COCC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001491079024 1258644666 /nfs/dbraw/zinc/64/46/66/1258644666.db2.gz DSAOLLIIXIYJMT-OTWHNJEPSA-N 2 0 345.487 2.097 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001491258158 1258856036 /nfs/dbraw/zinc/85/60/36/1258856036.db2.gz LSMKHLLLHUCHAV-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\c1ccccc1 ZINC001491457190 1259101142 /nfs/dbraw/zinc/10/11/42/1259101142.db2.gz OCKQOHSWVJGCKS-AZTIMDOBSA-N 2 0 327.472 2.136 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491502651 1259153063 /nfs/dbraw/zinc/15/30/63/1259153063.db2.gz AVMVJIBOJHDXBK-ZWKOTPCHSA-N 2 0 347.503 2.261 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001273457589 1278447512 /nfs/dbraw/zinc/44/75/12/1278447512.db2.gz KHXSOYNOBMORIG-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CC(C)=CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001267219333 1276642295 /nfs/dbraw/zinc/64/22/95/1276642295.db2.gz PAAWDIAEPIRQNF-MOPGFXCFSA-N 2 0 329.488 2.346 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cncc(F)c1 ZINC001490257974 1291087128 /nfs/dbraw/zinc/08/71/28/1291087128.db2.gz QAUKGJKUCIKYTQ-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[NH+](C)C ZINC000858413707 1294111908 /nfs/dbraw/zinc/11/19/08/1294111908.db2.gz UGEIBLYBJBUHFH-WMZOPIPTSA-N 2 0 329.488 2.355 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1CCC([NH+]2CCCOCC2)CC1 ZINC000861984582 1295635611 /nfs/dbraw/zinc/63/56/11/1295635611.db2.gz IKPPFHWZHQUPLU-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000862488862 1295856973 /nfs/dbraw/zinc/85/69/73/1295856973.db2.gz SUAAQWBPRNRVDN-MRXNPFEDSA-N 2 0 326.400 2.317 10 0 EEAERP C[C@@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277187248 1301725215 /nfs/dbraw/zinc/72/52/15/1301725215.db2.gz SMFHWNIYNWGSAN-JSGCOSHPSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH]cn1 ZINC001278263592 1308930769 /nfs/dbraw/zinc/93/07/69/1308930769.db2.gz KPGGDJZOQKHOHK-MAUKXSAKSA-N 2 0 348.491 2.128 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001278705829 1317805206 /nfs/dbraw/zinc/80/52/06/1317805206.db2.gz ZOQHEYQKVSJPJS-KGLIPLIRSA-N 2 0 349.441 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC=C(C)C)CCC1(F)F ZINC001278753630 1317974496 /nfs/dbraw/zinc/97/44/96/1317974496.db2.gz YSBFGHYPSPKRNO-HNNXBMFYSA-N 2 0 331.451 2.368 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001261502802 1322116908 /nfs/dbraw/zinc/11/69/08/1322116908.db2.gz YWLONNLDRIRDON-QZTJIDSGSA-N 2 0 330.476 2.285 10 0 EEAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001264512572 1322718270 /nfs/dbraw/zinc/71/82/70/1322718270.db2.gz RYLGLRGYRSSVJQ-YJBOKZPZSA-N 2 0 348.491 2.266 10 0 EEAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001264518745 1322722812 /nfs/dbraw/zinc/72/28/12/1322722812.db2.gz WKVCQVWLWPKXFZ-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001264994759 1322843060 /nfs/dbraw/zinc/84/30/60/1322843060.db2.gz HXTLPBVIDDHLNJ-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP Cn1cncc1CCC(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001265064348 1322902832 /nfs/dbraw/zinc/90/28/32/1322902832.db2.gz ZPKHJIUKNQWJOH-AWEZNQCLSA-N 2 0 342.434 2.226 10 0 EEAERP O=C(NCCC[N@@H+](Cc1ccccc1F)C1CC1)C12CC[NH+](CC1)C2 ZINC001265180813 1322971628 /nfs/dbraw/zinc/97/16/28/1322971628.db2.gz BLOMKERYGBZADW-UHFFFAOYSA-N 2 0 345.462 2.392 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCOC2CCC2)CCC1 ZINC001265673280 1323312920 /nfs/dbraw/zinc/31/29/20/1323312920.db2.gz BMBUTQMQDLJLIX-INIZCTEOSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1scnc1C ZINC001266054450 1323604229 /nfs/dbraw/zinc/60/42/29/1323604229.db2.gz RYSCMNJEHIYPFZ-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)no1 ZINC001266076149 1323631534 /nfs/dbraw/zinc/63/15/34/1323631534.db2.gz WGMFEKPWJXBIQK-HZPDHXFCSA-N 2 0 336.480 2.232 10 0 EEAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001266113448 1323681218 /nfs/dbraw/zinc/68/12/18/1323681218.db2.gz NSJSNQHMGKATIY-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138773 1323709632 /nfs/dbraw/zinc/70/96/32/1323709632.db2.gz SVBUNFHPJNNAMK-WBVHZDCISA-N 2 0 325.472 2.047 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCOc1ccccc1 ZINC001266169816 1323738859 /nfs/dbraw/zinc/73/88/59/1323738859.db2.gz HRPDAWRDNCAQBS-BZSNNMDCSA-N 2 0 347.503 2.280 10 0 EEAERP CN1CCO[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001266207321 1323771965 /nfs/dbraw/zinc/77/19/65/1323771965.db2.gz LKPHHLOMTARHGD-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(Cl)n1)C1CC1)[NH+](C)C ZINC001276656455 1324983954 /nfs/dbraw/zinc/98/39/54/1324983954.db2.gz OUIWPYOQOCIHTH-GJZGRUSLSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC001281456573 1325120508 /nfs/dbraw/zinc/12/05/08/1325120508.db2.gz CVWVURMGUZXEQK-KDOFPFPSSA-N 2 0 348.491 2.220 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CCc3cccs3)CC2)C1 ZINC001284977452 1326806517 /nfs/dbraw/zinc/80/65/17/1326806517.db2.gz WYQQHYYLMNDUIY-KRWDZBQOSA-N 2 0 347.528 2.381 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)c(F)c1 ZINC001285014673 1326829067 /nfs/dbraw/zinc/82/90/67/1326829067.db2.gz FDWXSYPFSLJOMM-AWEZNQCLSA-N 2 0 339.430 2.375 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001491632910 1330191222 /nfs/dbraw/zinc/19/12/22/1330191222.db2.gz UVYWRPCGGLOJDM-SJKOYZFVSA-N 2 0 339.430 2.388 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491685856 1330205616 /nfs/dbraw/zinc/20/56/16/1330205616.db2.gz ZHIIGSWQAIUMID-PKOBYXMFSA-N 2 0 346.519 2.495 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491791048 1330257167 /nfs/dbraw/zinc/25/71/67/1330257167.db2.gz KAYVCIDVPCPBBZ-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCCCCF)C1)[NH+]1CCCC1 ZINC001491826589 1330265740 /nfs/dbraw/zinc/26/57/40/1330265740.db2.gz IPQYSPYHXDGBJH-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C[C@H](OC)C2CCC2)C1 ZINC001491958192 1330351378 /nfs/dbraw/zinc/35/13/78/1330351378.db2.gz ARQFXFCOJCKFJM-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001492023655 1330450334 /nfs/dbraw/zinc/45/03/34/1330450334.db2.gz CMZKMRQKLONXCO-CZUORRHYSA-N 2 0 338.521 2.309 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H]1CCc2ccc(F)cc21 ZINC001316865483 1331774669 /nfs/dbraw/zinc/77/46/69/1331774669.db2.gz LJXLESLLVOMJOH-SFHVURJKSA-N 2 0 333.451 2.347 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001316752916 1331872694 /nfs/dbraw/zinc/87/26/94/1331872694.db2.gz YSNFWRPELODNTF-HBPFPQFOSA-N 2 0 345.531 2.465 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H]1CC1(Cl)Cl ZINC001316815279 1331909895 /nfs/dbraw/zinc/90/98/95/1331909895.db2.gz KKBSHCNRZIHFMD-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)CC1 ZINC001317087629 1332074366 /nfs/dbraw/zinc/07/43/66/1332074366.db2.gz NODUNDZMXWGHNI-WGSAOQKQSA-N 2 0 329.488 2.198 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001317149341 1332100607 /nfs/dbraw/zinc/10/06/07/1332100607.db2.gz IKVYFPUQKLOEEQ-IDSJHHPBSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317396378 1332213172 /nfs/dbraw/zinc/21/31/72/1332213172.db2.gz FGMQJEHRCOCMSM-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCOCC(C)C ZINC001317512714 1332275313 /nfs/dbraw/zinc/27/53/13/1332275313.db2.gz CKYMLCYXRSHNLI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCc2ccccc21)[NH+](C)C ZINC001317599334 1332318531 /nfs/dbraw/zinc/31/85/31/1332318531.db2.gz RQDFIRFNKXXNDY-IEBWSBKVSA-N 2 0 331.504 2.495 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001317622720 1332332619 /nfs/dbraw/zinc/33/26/19/1332332619.db2.gz NGPJSYXWGLQPMX-ZFWWWQNUSA-N 2 0 339.430 2.243 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C2CCC2)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317662336 1332356695 /nfs/dbraw/zinc/35/66/95/1332356695.db2.gz XLVIXCGQRIWRJY-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCC1 ZINC001318671451 1332575349 /nfs/dbraw/zinc/57/53/49/1332575349.db2.gz RSVXSOJHGRIIBH-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)CCC[NH+]1CCCC1 ZINC001318759809 1332590329 /nfs/dbraw/zinc/59/03/29/1332590329.db2.gz QGRNSTHYBXWCOZ-AEFFLSMTSA-N 2 0 327.488 2.487 10 0 EEAERP CCCCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001318958841 1332629521 /nfs/dbraw/zinc/62/95/21/1332629521.db2.gz JTTDBHKTLGWBPA-KZNAEPCWSA-N 2 0 339.524 2.304 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319280939 1332674759 /nfs/dbraw/zinc/67/47/59/1332674759.db2.gz AJRDZHBSIMFNHW-LPHOPBHVSA-N 2 0 331.504 2.085 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001319559320 1332721163 /nfs/dbraw/zinc/72/11/63/1332721163.db2.gz DMXVNQGLAMVBCJ-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001319794553 1332769916 /nfs/dbraw/zinc/76/99/16/1332769916.db2.gz YQDQUWKOHVUVDP-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001319869812 1332789220 /nfs/dbraw/zinc/78/92/20/1332789220.db2.gz QGFIHGLBKLZHOC-KGLIPLIRSA-N 2 0 337.430 2.496 10 0 EEAERP CCN(CC[NH2+]Cc1cn(C(C)C)nc1C)C(=O)C1([NH+](C)C)CCC1 ZINC001320756902 1332946726 /nfs/dbraw/zinc/94/67/26/1332946726.db2.gz SXZSNXUCLDCIIQ-UHFFFAOYSA-N 2 0 349.523 2.195 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320839367 1332962795 /nfs/dbraw/zinc/96/27/95/1332962795.db2.gz AWEQYRKGTZEJEO-MRXNPFEDSA-N 2 0 335.467 2.148 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1Cl ZINC001320998560 1332994609 /nfs/dbraw/zinc/99/46/09/1332994609.db2.gz OTBAEKXGIVAZQP-XYBNCVKDSA-N 2 0 339.842 2.335 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCCCC(F)(F)F)CC[N@@H+]1C ZINC001321064390 1333008891 /nfs/dbraw/zinc/00/88/91/1333008891.db2.gz MDVTVMSHFJXHJN-QAMKJQMISA-N 2 0 335.414 2.321 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001321223940 1333048379 /nfs/dbraw/zinc/04/83/79/1333048379.db2.gz PMUIVXCWHUCCJQ-PLNGDYQASA-N 2 0 329.488 2.407 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001321285199 1333064588 /nfs/dbraw/zinc/06/45/88/1333064588.db2.gz JWFKNVNHPKLSQM-SUSYHVFKSA-N 2 0 348.516 2.230 10 0 EEAERP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001322362179 1333254083 /nfs/dbraw/zinc/25/40/83/1333254083.db2.gz XNAAOZNJICMYCG-KBPBESRZSA-N 2 0 347.425 2.299 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323874677 1333564660 /nfs/dbraw/zinc/56/46/60/1333564660.db2.gz WQZZKVPFYDXQJF-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP O=C(N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)C12CCC[NH+]1CCC2 ZINC001324186688 1333630659 /nfs/dbraw/zinc/63/06/59/1333630659.db2.gz MAIBQDCYPALLHP-ROUUACIJSA-N 2 0 349.519 2.155 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\c2ccccc2)C1 ZINC001324276530 1333648319 /nfs/dbraw/zinc/64/83/19/1333648319.db2.gz KKYNUEPZMPCYDQ-CIJAKILZSA-N 2 0 327.472 2.232 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCCCF)C1 ZINC001324773015 1333756679 /nfs/dbraw/zinc/75/66/79/1333756679.db2.gz WSAPETWCSINTPS-FUHWJXTLSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001326352531 1334075110 /nfs/dbraw/zinc/07/51/10/1334075110.db2.gz NJXYEEHBJUNSJQ-UONOGXRCSA-N 2 0 337.430 2.353 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001326542092 1334112777 /nfs/dbraw/zinc/11/27/77/1334112777.db2.gz QVEOBGUHZWHQBK-QAETUUGQSA-N 2 0 327.488 2.341 10 0 EEAERP CCC1([NH2+]CCC[C@@H]2CCOC2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001327488778 1334300569 /nfs/dbraw/zinc/30/05/69/1334300569.db2.gz PUHAESUPKDUUQX-MRXNPFEDSA-N 2 0 348.491 2.130 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cnc[nH]1)C2 ZINC001327528853 1334309083 /nfs/dbraw/zinc/30/90/83/1334309083.db2.gz CRITWEULWTYNEN-IBGZPJMESA-N 2 0 348.491 2.083 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001327568627 1334316249 /nfs/dbraw/zinc/31/62/49/1334316249.db2.gz HQTCSJHEVNLHPP-APWZRJJASA-N 2 0 341.540 2.096 10 0 EEAERP CC1([NH2+]CCCF)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001327996171 1334375853 /nfs/dbraw/zinc/37/58/53/1334375853.db2.gz SQTQRJWSVCULSQ-JKSUJKDBSA-N 2 0 325.472 2.334 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001328621580 1334490101 /nfs/dbraw/zinc/49/01/01/1334490101.db2.gz VHUOGDPSROFRML-KRWDZBQOSA-N 2 0 349.523 2.075 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCOc2ccccc2)C1 ZINC001328876154 1334539365 /nfs/dbraw/zinc/53/93/65/1334539365.db2.gz NIXDOGIRALCJLG-FAFZWHIHSA-N 2 0 345.487 2.034 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001329232067 1334612182 /nfs/dbraw/zinc/61/21/82/1334612182.db2.gz ZQMGZUWCQLRCCJ-LXPRWKDFSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCC[NH+](C)C ZINC001332031710 1335710473 /nfs/dbraw/zinc/71/04/73/1335710473.db2.gz YSIOEVSXKIYNTJ-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(OCC[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001333155320 1335972435 /nfs/dbraw/zinc/97/24/35/1335972435.db2.gz ZTLNNJHQMHFDTJ-UHFFFAOYSA-N 2 0 345.487 2.049 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001668319760 1355922490 /nfs/dbraw/zinc/92/24/90/1355922490.db2.gz KGBFIHFRRNKKEJ-GFCCVEGCSA-N 2 0 326.510 2.085 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)CC[NH+]1CCCCC1 ZINC001668652006 1355980178 /nfs/dbraw/zinc/98/01/78/1355980178.db2.gz FCRVVYJPMHTMJJ-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)C1([NH+](C)C)CCC1 ZINC001669313546 1356144211 /nfs/dbraw/zinc/14/42/11/1356144211.db2.gz ZDXDLQUEZCURPH-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP COCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001500265189 1342122433 /nfs/dbraw/zinc/12/24/33/1342122433.db2.gz PTQWPIOYDVXOGK-HKUYNNGSSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOc2ccccc2)CC1 ZINC001502772010 1342232519 /nfs/dbraw/zinc/23/25/19/1342232519.db2.gz FWQIYSJUJMPULB-SFHVURJKSA-N 2 0 345.487 2.130 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC[C@H]2CCCO2)CC1(C)C ZINC001506750627 1342314723 /nfs/dbraw/zinc/31/47/23/1342314723.db2.gz NNZPEBINFLKETF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH+]2CCC3(C[C@@H]3NC(=O)CCCC[NH+](C)C)CC2)on1 ZINC001566695266 1342606276 /nfs/dbraw/zinc/60/62/76/1342606276.db2.gz XPGUXLUAEPKGCO-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001567066668 1342690156 /nfs/dbraw/zinc/69/01/56/1342690156.db2.gz ZLNKCUULZLAUCB-SFHVURJKSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCCC(F)(F)F ZINC001567234987 1342714040 /nfs/dbraw/zinc/71/40/40/1342714040.db2.gz CIVUOJJYXWURBP-ZDUSSCGKSA-N 2 0 335.414 2.299 10 0 EEAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568775847 1342853569 /nfs/dbraw/zinc/85/35/69/1342853569.db2.gz NQTAUGNWJSWQDT-YOEHRIQHSA-N 2 0 333.467 2.385 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001571277051 1343172502 /nfs/dbraw/zinc/17/25/02/1343172502.db2.gz HPNWDWBJHLNXRN-RHSMWYFYSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001571393107 1343202562 /nfs/dbraw/zinc/20/25/62/1343202562.db2.gz JGWVXUVHMDUEKS-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)CN1C(=O)CCCC[NH+](C)C ZINC001571490277 1343218538 /nfs/dbraw/zinc/21/85/38/1343218538.db2.gz BMEPNIUPOCLHPY-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001571700419 1343280708 /nfs/dbraw/zinc/28/07/08/1343280708.db2.gz BTXPFWAFIUVHQL-IBGZPJMESA-N 2 0 349.519 2.037 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001676924852 1357242295 /nfs/dbraw/zinc/24/22/95/1357242295.db2.gz BQMBLPRFIVFAJE-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCOC)C(C)(C)C1 ZINC001677042306 1357267503 /nfs/dbraw/zinc/26/75/03/1357267503.db2.gz BNKUGCXDWLCFJM-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCc2cccs2)C(C)(C)C)C1 ZINC001677306642 1357311038 /nfs/dbraw/zinc/31/10/38/1357311038.db2.gz MTFVDQQOALQUKG-ZBFHGGJFSA-N 2 0 337.533 2.363 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001656447302 1354237635 /nfs/dbraw/zinc/23/76/35/1354237635.db2.gz GHDKNGPYDSJJQR-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001656446795 1354237759 /nfs/dbraw/zinc/23/77/59/1354237759.db2.gz CSZLKRBICSNEAV-CRAIPNDOSA-N 2 0 348.491 2.123 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCCCF ZINC001656752469 1354271159 /nfs/dbraw/zinc/27/11/59/1354271159.db2.gz HDCUQEIXZZWAAO-YESZJQIVSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001661694276 1354673097 /nfs/dbraw/zinc/67/30/97/1354673097.db2.gz JCJPXLRHGLFZRU-GASCZTMLSA-N 2 0 336.505 2.146 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661842614 1354707662 /nfs/dbraw/zinc/70/76/62/1354707662.db2.gz QQCPICVPGDNGFH-STQMWFEESA-N 2 0 334.291 2.085 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001662239134 1354767578 /nfs/dbraw/zinc/76/75/78/1354767578.db2.gz MNGMVAUSOHCUQC-QGZVFWFLSA-N 2 0 347.503 2.261 10 0 EEAERP Cc1ccnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001662791011 1354848067 /nfs/dbraw/zinc/84/80/67/1354848067.db2.gz MNOSTYINBBHJNB-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCCC(F)(F)F ZINC001663476453 1354967811 /nfs/dbraw/zinc/96/78/11/1354967811.db2.gz VYKHWLKDAJUDCK-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001664018665 1355074647 /nfs/dbraw/zinc/07/46/47/1355074647.db2.gz YDJQUKYALZDZFR-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001664467184 1355171624 /nfs/dbraw/zinc/17/16/24/1355171624.db2.gz GNRBYPIBVHMETB-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001666167077 1355473130 /nfs/dbraw/zinc/47/31/30/1355473130.db2.gz BWMAAJWZRUNDEO-MSOLQXFVSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001667094899 1355647814 /nfs/dbraw/zinc/64/78/14/1355647814.db2.gz BJZBZVPUSBVGAO-KKTNHOPESA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668308891 1355920378 /nfs/dbraw/zinc/92/03/78/1355920378.db2.gz BTISGMRGNIRSQD-RYUDHWBXSA-N 2 0 329.897 2.338 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(N(C)C)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668555044 1355961663 /nfs/dbraw/zinc/96/16/63/1355961663.db2.gz GUQXBGFNIFOSSY-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC001668827598 1356014910 /nfs/dbraw/zinc/01/49/10/1356014910.db2.gz JBFKEPGWYNHODX-IDOMTICXSA-N 2 0 347.890 2.444 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1F ZINC001668828985 1356015057 /nfs/dbraw/zinc/01/50/57/1356015057.db2.gz VCMCMUKLFFWXOJ-JVUKZBMMSA-N 2 0 345.462 2.491 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001669020897 1356069652 /nfs/dbraw/zinc/06/96/52/1356069652.db2.gz LGOAFLQUORHFIJ-ZFDPJTLLSA-N 2 0 325.403 2.240 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001670344718 1356324155 /nfs/dbraw/zinc/32/41/55/1356324155.db2.gz KHZVLVCKILJIKI-UONOGXRCSA-N 2 0 339.430 2.416 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCF)CC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001672974590 1356624514 /nfs/dbraw/zinc/62/45/14/1356624514.db2.gz BXDOGRHVUHLDSW-SHTZXODSSA-N 2 0 345.422 2.115 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001673381030 1356681358 /nfs/dbraw/zinc/68/13/58/1356681358.db2.gz PYFKLQTXVQOTJG-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001673740218 1356740806 /nfs/dbraw/zinc/74/08/06/1356740806.db2.gz POPGACOTDVFMRM-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001675620974 1357017419 /nfs/dbraw/zinc/01/74/19/1357017419.db2.gz HNTVGTUEFPSJOH-PJHKVULZSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nccs1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001675958450 1357077124 /nfs/dbraw/zinc/07/71/24/1357077124.db2.gz FKWLKARCJAPQLF-KKUMJFAQSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692121490 1404984820 /nfs/dbraw/zinc/98/48/20/1404984820.db2.gz UBLXPFMTKWDHMK-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001692125641 1404988297 /nfs/dbraw/zinc/98/82/97/1404988297.db2.gz YASWUEVBWJYNMF-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001698719703 1405023829 /nfs/dbraw/zinc/02/38/29/1405023829.db2.gz HSPSPZPDMFOSQN-OAHLLOKOSA-N 2 0 333.451 2.236 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001698858348 1405114439 /nfs/dbraw/zinc/11/44/39/1405114439.db2.gz VBGAFHMCSKFXHC-INIZCTEOSA-N 2 0 347.478 2.291 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]C/C=C/Cl ZINC001698947590 1405178061 /nfs/dbraw/zinc/17/80/61/1405178061.db2.gz BEWCYHPKXGBOBJ-LTBMOJJQSA-N 2 0 327.900 2.297 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012419 1405227074 /nfs/dbraw/zinc/22/70/74/1405227074.db2.gz DOTIHHLOIMWLAG-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699018716 1405233636 /nfs/dbraw/zinc/23/36/36/1405233636.db2.gz DRGZZANYXQWEKS-YJBOKZPZSA-N 2 0 344.459 2.167 10 0 EEAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001699216054 1405292200 /nfs/dbraw/zinc/29/22/00/1405292200.db2.gz QEGCABUGVULDCG-FQEVSTJZSA-N 2 0 333.520 2.491 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699263143 1405306041 /nfs/dbraw/zinc/30/60/41/1405306041.db2.gz VFNNVTZVNDIYTB-GGVYXGFKSA-N 2 0 348.491 2.038 10 0 EEAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001699987314 1405634423 /nfs/dbraw/zinc/63/44/23/1405634423.db2.gz KICKWEKMKSWJNF-IXDOHACOSA-N 2 0 327.488 2.247 10 0 EEAERP C[NH+]1CCN(Cc2ccccc2-c2cnc([C@H]3CCC[NH2+]3)nc2)CC1 ZINC000906177152 783749079 /nfs/dbraw/zinc/74/90/79/783749079.db2.gz RCXQTBAYNOUYQP-LJQANCHMSA-N 2 0 337.471 2.316 10 0 EEAERP CN(CCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000705975224 784912536 /nfs/dbraw/zinc/91/25/36/784912536.db2.gz KXRJWNNGRBVIKB-JKSUJKDBSA-N 2 0 341.496 2.086 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819059388 785381101 /nfs/dbraw/zinc/38/11/01/785381101.db2.gz XUWKNQOYIPLGKF-UYAOXDASSA-N 2 0 333.520 2.200 10 0 EEAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000819015381 785383494 /nfs/dbraw/zinc/38/34/94/785383494.db2.gz GIWJKJUUGMTRBW-PXNSSMCTSA-N 2 0 343.446 2.408 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000819174858 785447424 /nfs/dbraw/zinc/44/74/24/785447424.db2.gz RZRSBBRKCDCGEW-XUVXKRRUSA-N 2 0 332.488 2.304 10 0 EEAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000819273286 785503397 /nfs/dbraw/zinc/50/33/97/785503397.db2.gz CRZOETPMZRPIFO-LPHOPBHVSA-N 2 0 329.419 2.366 10 0 EEAERP C[NH+](C)C1(C)CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000913390223 788822967 /nfs/dbraw/zinc/82/29/67/788822967.db2.gz MWIWMVYXMIQRHX-MRXNPFEDSA-N 2 0 339.549 2.147 10 0 EEAERP Brc1cc2c(s1)CCN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923389282 789485400 /nfs/dbraw/zinc/48/54/00/789485400.db2.gz NSYKPJJYNLPHEM-NSHDSACASA-N 2 0 343.290 2.247 10 0 EEAERP C[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923496284 789653949 /nfs/dbraw/zinc/65/39/49/789653949.db2.gz ARMVDTHIEQORSW-HHXXYDBFSA-N 2 0 329.488 2.487 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923490763 789660834 /nfs/dbraw/zinc/66/08/34/789660834.db2.gz OUUJUKAYDMLGIL-XNHCWWPPSA-N 2 0 332.444 2.168 10 0 EEAERP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498808 789680775 /nfs/dbraw/zinc/68/07/75/789680775.db2.gz LSMRPKYRWXRERX-FXUDXRNXSA-N 2 0 333.476 2.178 10 0 EEAERP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000923511119 789698218 /nfs/dbraw/zinc/69/82/18/789698218.db2.gz ZHBPAPUPSFMMNS-NEPJUHHUSA-N 2 0 325.840 2.204 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913870241 794438096 /nfs/dbraw/zinc/43/80/96/794438096.db2.gz SWUDVANFPVAOCJ-OAGGEKHMSA-N 2 0 334.464 2.198 10 0 EEAERP Cn1nc2c(c1C[NH2+]C1CCC([NH+]3CCCCC3)CC1)COCC2 ZINC000921822785 796600693 /nfs/dbraw/zinc/60/06/93/796600693.db2.gz KYOCYKWYJNYFFR-UHFFFAOYSA-N 2 0 332.492 2.380 10 0 EEAERP FC(F)(F)[C@H]1CC[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)O1 ZINC000929285185 800043950 /nfs/dbraw/zinc/04/39/50/800043950.db2.gz YJWBPWCUPSGGFS-HUUCEWRRSA-N 2 0 336.398 2.141 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cccnc1 ZINC001566470355 1125631113 /nfs/dbraw/zinc/63/11/13/1125631113.db2.gz RIHKMJKCNRVLJZ-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001566508877 1125678179 /nfs/dbraw/zinc/67/81/79/1125678179.db2.gz SZFVPNAHUPAGGB-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001566520239 1125692701 /nfs/dbraw/zinc/69/27/01/1125692701.db2.gz VGTFSWJPRBVKLI-UHFFFAOYSA-N 2 0 331.504 2.454 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001436479262 1087958345 /nfs/dbraw/zinc/95/83/45/1087958345.db2.gz RSZBPRWOWFWRDV-RQTGCPSESA-N 2 0 327.900 2.442 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001436794786 1088362525 /nfs/dbraw/zinc/36/25/25/1088362525.db2.gz YQBIYWCEAPBXQM-HOTGVXAUSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC001436930667 1088600444 /nfs/dbraw/zinc/60/04/44/1088600444.db2.gz HYHMIYKHGOMXPQ-ALOPSCKCSA-N 2 0 333.451 2.389 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437012425 1088789405 /nfs/dbraw/zinc/78/94/05/1088789405.db2.gz NXPVQALFGDNRDI-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]C/C(Cl)=C/Cl)CC1 ZINC001437097906 1089059376 /nfs/dbraw/zinc/05/93/76/1089059376.db2.gz XCRZQHPELUJLSE-YKDWMMAJSA-N 2 0 334.291 2.417 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cn1 ZINC001437171932 1089196959 /nfs/dbraw/zinc/19/69/59/1089196959.db2.gz SAQKDGPWVPNHLV-OAHLLOKOSA-N 2 0 347.507 2.032 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001437219279 1089303631 /nfs/dbraw/zinc/30/36/31/1089303631.db2.gz IJNGWWBJOYFJFX-MRXNPFEDSA-N 2 0 342.487 2.494 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001437259144 1089396971 /nfs/dbraw/zinc/39/69/71/1089396971.db2.gz FDGSTPRHIQFSRX-ZDUSSCGKSA-N 2 0 338.521 2.230 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001437419866 1089703155 /nfs/dbraw/zinc/70/31/55/1089703155.db2.gz XXWRNNMPEJMELB-QAPCUYQASA-N 2 0 335.467 2.482 10 0 EEAERP C[C@H](Cc1c[nH]cn1)C(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001437531647 1089966110 /nfs/dbraw/zinc/96/61/10/1089966110.db2.gz NWGFWIOHBZMZRZ-CHWSQXEVSA-N 2 0 328.407 2.072 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001437660854 1090189983 /nfs/dbraw/zinc/18/99/83/1090189983.db2.gz PKKQUCGDXRISOV-ROUUACIJSA-N 2 0 335.467 2.447 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CCc1ccccc1F ZINC001437701214 1090245387 /nfs/dbraw/zinc/24/53/87/1090245387.db2.gz MHMGFPMLJADOPA-QGZVFWFLSA-N 2 0 333.451 2.045 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001438266840 1090748656 /nfs/dbraw/zinc/74/86/56/1090748656.db2.gz AZABAVQXWGUPNT-GOSISDBHSA-N 2 0 333.451 2.344 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(C)cc1 ZINC001438308921 1090786783 /nfs/dbraw/zinc/78/67/83/1090786783.db2.gz YYWQZKAETFEKOP-OALUTQOASA-N 2 0 329.488 2.321 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1F ZINC001438374362 1090854535 /nfs/dbraw/zinc/85/45/35/1090854535.db2.gz JHZJIDBITHWHML-CJNGLKHVSA-N 2 0 339.430 2.291 10 0 EEAERP COc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001438428012 1090926130 /nfs/dbraw/zinc/92/61/30/1090926130.db2.gz FBGACGJEMOSWMK-UZLBHIALSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001438612977 1091102487 /nfs/dbraw/zinc/10/24/87/1091102487.db2.gz ZYQJYBRCGOAEKT-UHFFFAOYSA-N 2 0 329.488 2.371 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001438667000 1091155368 /nfs/dbraw/zinc/15/53/68/1091155368.db2.gz WBPCHWHCQBDHRZ-VQIMIIECSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445433134 1091190520 /nfs/dbraw/zinc/19/05/20/1091190520.db2.gz GGIMIUKBTMCBEE-NWDGAFQWSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438718033 1091241428 /nfs/dbraw/zinc/24/14/28/1091241428.db2.gz WYCPMTWODGNYLJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001438760921 1091327300 /nfs/dbraw/zinc/32/73/00/1091327300.db2.gz AXGOROLWRCXGFB-AEFFLSMTSA-N 2 0 332.492 2.057 10 0 EEAERP COCc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001438780301 1091378065 /nfs/dbraw/zinc/37/80/65/1091378065.db2.gz XBHXSQWHBHLYQF-LPHOPBHVSA-N 2 0 347.503 2.111 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001438835518 1091461694 /nfs/dbraw/zinc/46/16/94/1091461694.db2.gz BGFYZYZHUMLOBT-SFHVURJKSA-N 2 0 347.503 2.330 10 0 EEAERP C[C@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445858532 1091776315 /nfs/dbraw/zinc/77/63/15/1091776315.db2.gz WNGXYSCIWUWOHF-MRXNPFEDSA-N 2 0 347.478 2.291 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)CC[N@@H+]1C ZINC001445951874 1091894569 /nfs/dbraw/zinc/89/45/69/1091894569.db2.gz RAFJOACUGPZPRG-HRCADAONSA-N 2 0 343.462 2.246 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445988222 1091956849 /nfs/dbraw/zinc/95/68/49/1091956849.db2.gz GWRNVGBMGIBSMM-BEFAXECRSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001446017060 1092000947 /nfs/dbraw/zinc/00/09/47/1092000947.db2.gz PCAOAMCZQOXMHF-ZWKOTPCHSA-N 2 0 348.491 2.088 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC001446017101 1092001919 /nfs/dbraw/zinc/00/19/19/1092001919.db2.gz SBCKOXYHGPAEIZ-HOTGVXAUSA-N 2 0 336.480 2.040 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC001446017106 1092002167 /nfs/dbraw/zinc/00/21/67/1092002167.db2.gz SBCKOXYHGPAEIZ-JKSUJKDBSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](CN(C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439327754 1092007419 /nfs/dbraw/zinc/00/74/19/1092007419.db2.gz OYFYZXIDDQNVTK-GZBFAFLISA-N 2 0 339.430 2.242 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439397475 1092149244 /nfs/dbraw/zinc/14/92/44/1092149244.db2.gz HLPIFHSQKYKHHS-UKRRQHHQSA-N 2 0 339.430 2.243 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001439461808 1092242711 /nfs/dbraw/zinc/24/27/11/1092242711.db2.gz HLUBMKARZJGGID-CVEARBPZSA-N 2 0 343.462 2.391 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1)[NH+](C)C ZINC001446206424 1092288926 /nfs/dbraw/zinc/28/89/26/1092288926.db2.gz LOUHRAIGUVANQG-QGZVFWFLSA-N 2 0 328.460 2.247 10 0 EEAERP O=C(NCC1([NH2+]CC[C@H]2CCCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC001439630813 1092546290 /nfs/dbraw/zinc/54/62/90/1092546290.db2.gz ZTTCMEIVIFILQP-QGZVFWFLSA-N 2 0 349.519 2.060 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001439635411 1092555702 /nfs/dbraw/zinc/55/57/02/1092555702.db2.gz IWCSKYPCZYOCSL-IAGOWNOFSA-N 2 0 349.425 2.285 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+][C@H]3CCc4ccccc43)CC2)CC1 ZINC001439640174 1092564232 /nfs/dbraw/zinc/56/42/32/1092564232.db2.gz ICKSXTGHKNBIOW-SFHVURJKSA-N 2 0 327.472 2.254 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001439666032 1092603464 /nfs/dbraw/zinc/60/34/64/1092603464.db2.gz CTCYHIMNCSQADN-INIZCTEOSA-N 2 0 327.472 2.390 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001439680141 1092620253 /nfs/dbraw/zinc/62/02/53/1092620253.db2.gz YTJOSUBRWOPHFF-UHFFFAOYSA-N 2 0 329.488 2.254 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH+](CCF)C1 ZINC001439682022 1092624310 /nfs/dbraw/zinc/62/43/10/1092624310.db2.gz GPJSSHBMAXMUGT-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439854457 1092875783 /nfs/dbraw/zinc/87/57/83/1092875783.db2.gz SDHMOMQCEZBJIK-QFBILLFUSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)n1 ZINC001439856350 1092881715 /nfs/dbraw/zinc/88/17/15/1092881715.db2.gz VDEIBOYEAIEMKH-MGPUTAFESA-N 2 0 344.503 2.121 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439937951 1093034206 /nfs/dbraw/zinc/03/42/06/1093034206.db2.gz ZRHHAPRQXLIBQK-MAUKXSAKSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2nocc2C)C1 ZINC001440129854 1093194176 /nfs/dbraw/zinc/19/41/76/1093194176.db2.gz WKZYNQKFVCUOHG-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001440225043 1093306749 /nfs/dbraw/zinc/30/67/49/1093306749.db2.gz SJYJQCDRZFJFNA-LPHOPBHVSA-N 2 0 347.503 2.474 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001440229415 1093311974 /nfs/dbraw/zinc/31/19/74/1093311974.db2.gz DNRAMGMVVXMPNF-OAHLLOKOSA-N 2 0 325.472 2.001 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1C[C@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001440246729 1093338715 /nfs/dbraw/zinc/33/87/15/1093338715.db2.gz DHQPAASRPKXIBV-HOTGVXAUSA-N 2 0 343.462 2.440 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccsc2)CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001440307016 1093434334 /nfs/dbraw/zinc/43/43/34/1093434334.db2.gz XLXJWMNPBNMXBB-MRXNPFEDSA-N 2 0 333.501 2.218 10 0 EEAERP O=C(NCC1([NH2+]CC[C@@H]2CCCO2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001440314074 1093446518 /nfs/dbraw/zinc/44/65/18/1093446518.db2.gz SLENVUFTMKSVHJ-KRWDZBQOSA-N 2 0 349.519 2.060 10 0 EEAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001440341893 1093490407 /nfs/dbraw/zinc/49/04/07/1093490407.db2.gz PBXXMXROWZKINX-WKILWMFISA-N 2 0 341.459 2.411 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001440344402 1093494796 /nfs/dbraw/zinc/49/47/96/1093494796.db2.gz RAQDWEWWNLOGJW-UTLWNXINSA-N 2 0 325.884 2.099 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC001448477453 1093495684 /nfs/dbraw/zinc/49/56/84/1093495684.db2.gz ZWPKSURVNRBQOL-YHUYYLMFSA-N 2 0 343.462 2.058 10 0 EEAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001448543737 1093583838 /nfs/dbraw/zinc/58/38/38/1093583838.db2.gz JYPXKZZPXUTVEW-HNNXBMFYSA-N 2 0 325.472 2.286 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)cc1C ZINC001440401634 1093586561 /nfs/dbraw/zinc/58/65/61/1093586561.db2.gz XUGGYQRYSHZCAC-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1nc(C[N@@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)sc1C ZINC001448545861 1093586826 /nfs/dbraw/zinc/58/68/26/1093586826.db2.gz PRYMWPPWZFLMRM-UHFFFAOYSA-N 2 0 338.521 2.134 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH2+]CC2CC2)C1 ZINC001440423047 1093618976 /nfs/dbraw/zinc/61/89/76/1093618976.db2.gz WEKSUISMHJAPDP-CABCVRRESA-N 2 0 349.441 2.353 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCO)C1)c1ccccc1 ZINC001440462333 1093682335 /nfs/dbraw/zinc/68/23/35/1093682335.db2.gz DRISBFUNEWMGTG-RTBURBONSA-N 2 0 347.503 2.033 10 0 EEAERP CCCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001440477460 1093708742 /nfs/dbraw/zinc/70/87/42/1093708742.db2.gz XRHYDKRWLSWJSE-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C ZINC001440482055 1093715023 /nfs/dbraw/zinc/71/50/23/1093715023.db2.gz NCKWWIFLYSECHD-KRWDZBQOSA-N 2 0 341.540 2.171 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCCCC2)CCOCC1 ZINC001440572709 1093842887 /nfs/dbraw/zinc/84/28/87/1093842887.db2.gz VMRXYDRQAQPHBP-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CC(C)[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCOCC1 ZINC001440577638 1093848911 /nfs/dbraw/zinc/84/89/11/1093848911.db2.gz QEXPUITTXYMGAU-UHFFFAOYSA-N 2 0 333.476 2.025 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001440653496 1093925218 /nfs/dbraw/zinc/92/52/18/1093925218.db2.gz PMGFVPFBWPKTPD-HOCLYGCPSA-N 2 0 336.480 2.046 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001449031636 1094041305 /nfs/dbraw/zinc/04/13/05/1094041305.db2.gz FDZIKOBQDSIHTL-CEXWTWQISA-N 2 0 344.503 2.058 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001449055743 1094071226 /nfs/dbraw/zinc/07/12/26/1094071226.db2.gz XJMGFAUOWNPZJS-KBAYOESNSA-N 2 0 348.491 2.042 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440850653 1094109341 /nfs/dbraw/zinc/10/93/41/1094109341.db2.gz CVVXDDRSCKYZDF-DLBZAZTESA-N 2 0 331.504 2.370 10 0 EEAERP Cc1ccc(C[NH+]2CCC3(C[C@@H]3NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001441135656 1094466198 /nfs/dbraw/zinc/46/61/98/1094466198.db2.gz JSAXCFNOPNCGCK-SFHVURJKSA-N 2 0 329.488 2.417 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]Cc1cncs1)C1CC1 ZINC001441194921 1094555059 /nfs/dbraw/zinc/55/50/59/1094555059.db2.gz BBTBXBFQIUTJOI-GOEBONIOSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C2CC2)CC[N@@H+]1C ZINC001441248587 1094641199 /nfs/dbraw/zinc/64/11/99/1094641199.db2.gz MQWMTZWDFGTRGI-FPMFFAJLSA-N 2 0 335.414 2.154 10 0 EEAERP CO[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441281056 1094701526 /nfs/dbraw/zinc/70/15/26/1094701526.db2.gz AZOJCSHMSQHMCS-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441383740 1094928425 /nfs/dbraw/zinc/92/84/25/1094928425.db2.gz IXRKGMPOIXRQKK-QBYUYEEZSA-N 2 0 325.472 2.378 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001441862792 1095966303 /nfs/dbraw/zinc/96/63/03/1095966303.db2.gz WLVJQPGRZNSCJT-YJBOKZPZSA-N 2 0 349.523 2.240 10 0 EEAERP O=C(NCC[C@H](Cc1ccccc1)[NH2+]CCF)[C@H]1C[NH+]2CCC1CC2 ZINC001441893598 1096035043 /nfs/dbraw/zinc/03/50/43/1096035043.db2.gz HKAKVYUWGKSEFE-MOPGFXCFSA-N 2 0 347.478 2.005 10 0 EEAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001441980557 1096184209 /nfs/dbraw/zinc/18/42/09/1096184209.db2.gz LNPWUYJJSDDKTL-IRXDYDNUSA-N 2 0 347.503 2.261 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)ns1)C(C)(C)C)[NH+](C)C ZINC001442139747 1096385800 /nfs/dbraw/zinc/38/58/00/1096385800.db2.gz DNOYNEPYYQGXGK-HUUCEWRRSA-N 2 0 340.537 2.412 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCC[C@@H]2CCOC2)C1 ZINC001442216768 1096509469 /nfs/dbraw/zinc/50/94/69/1096509469.db2.gz LLBSFEISEMJWAM-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001442335796 1096657935 /nfs/dbraw/zinc/65/79/35/1096657935.db2.gz MNIHFXDIFBHJQZ-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCc2ccccc2F)CC[N@@H+]1C ZINC001442407606 1096727936 /nfs/dbraw/zinc/72/79/36/1096727936.db2.gz AWGDSZHFCPKKNM-FUHWJXTLSA-N 2 0 335.467 2.147 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001442900946 1097303836 /nfs/dbraw/zinc/30/38/36/1097303836.db2.gz JGPKSWMFOJOEHD-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001443261644 1097739953 /nfs/dbraw/zinc/73/99/53/1097739953.db2.gz UHVKVYLMZAPQHM-YJBOKZPZSA-N 2 0 347.507 2.274 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnoc1C ZINC001444009496 1098526026 /nfs/dbraw/zinc/52/60/26/1098526026.db2.gz TVYRZVFSYIFVOJ-PBHICJAKSA-N 2 0 336.480 2.232 10 0 EEAERP O=C(NC1(C[NH2+]Cc2ccsc2)CCCC1)C12CC[NH+](CC1)C2 ZINC001444085469 1098615764 /nfs/dbraw/zinc/61/57/64/1098615764.db2.gz BNKHCZCEQSAYBH-UHFFFAOYSA-N 2 0 333.501 2.363 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ccccn1 ZINC001479637432 1098665652 /nfs/dbraw/zinc/66/56/52/1098665652.db2.gz QMJHLSXSDDIFSW-KSZLIROESA-N 2 0 332.492 2.137 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001479689620 1098751596 /nfs/dbraw/zinc/75/15/96/1098751596.db2.gz RWKVVBMPBHCOQA-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479691276 1098754244 /nfs/dbraw/zinc/75/42/44/1098754244.db2.gz XUZKMUXMNTZWEI-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001479727778 1098826038 /nfs/dbraw/zinc/82/60/38/1098826038.db2.gz RALHOEJSCPHPJT-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc2ccccc2o1 ZINC001444394603 1098989293 /nfs/dbraw/zinc/98/92/93/1098989293.db2.gz XZQLSRXPEJLNLK-CABCVRRESA-N 2 0 344.459 2.012 10 0 EEAERP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828519 1099108424 /nfs/dbraw/zinc/10/84/24/1099108424.db2.gz BEHRBYGEYLZDKY-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cncc(F)c1 ZINC001479847662 1099142677 /nfs/dbraw/zinc/14/26/77/1099142677.db2.gz RDMMCHYZLAMGDG-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCc1ccccc1F)CC2 ZINC001479985561 1099444697 /nfs/dbraw/zinc/44/46/97/1099444697.db2.gz REDRENJTVXBJMZ-SFHVURJKSA-N 2 0 347.478 2.291 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(Cl)ccc1F)N(C)C(=O)CC[NH+](C)C ZINC001444661056 1099497442 /nfs/dbraw/zinc/49/74/42/1099497442.db2.gz CBQLVHYUTZKDQT-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C(=O)CC[NH+](C)C ZINC001444670378 1099510359 /nfs/dbraw/zinc/51/03/59/1099510359.db2.gz RXTABGPRMXWTRP-DLBZAZTESA-N 2 0 331.504 2.180 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001480047418 1099552505 /nfs/dbraw/zinc/55/25/05/1099552505.db2.gz RSCOODLENWWTIR-KDOFPFPSSA-N 2 0 333.451 2.152 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001480088409 1099647613 /nfs/dbraw/zinc/64/76/13/1099647613.db2.gz YXAIIBWNNBITOZ-KBPBESRZSA-N 2 0 335.414 2.061 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001444761719 1099650200 /nfs/dbraw/zinc/65/02/00/1099650200.db2.gz HIXATQKAYLLEKD-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP COCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480187095 1099782087 /nfs/dbraw/zinc/78/20/87/1099782087.db2.gz BFUZBYOJRVXELM-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001480221574 1099839441 /nfs/dbraw/zinc/83/94/41/1099839441.db2.gz ZSXKPPVJMQAEGQ-IYBDPMFKSA-N 2 0 325.403 2.043 10 0 EEAERP CCc1cccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001444935171 1100041376 /nfs/dbraw/zinc/04/13/76/1100041376.db2.gz RAXIBRLEXUCPJP-OALUTQOASA-N 2 0 331.504 2.431 10 0 EEAERP CO[C@H](C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C)C1CCC1 ZINC001444978541 1100104865 /nfs/dbraw/zinc/10/48/65/1100104865.db2.gz DIFFFYWJZOOYFX-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP CN(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001444993126 1100123430 /nfs/dbraw/zinc/12/34/30/1100123430.db2.gz JQTPTLKEUKGLBP-CVEARBPZSA-N 2 0 343.462 2.439 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001480463357 1100268440 /nfs/dbraw/zinc/26/84/40/1100268440.db2.gz UEEPZOUMYYYOLH-YRGRVCCFSA-N 2 0 341.858 2.414 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cncs1)C1CCC1 ZINC001445104200 1100336130 /nfs/dbraw/zinc/33/61/30/1100336130.db2.gz CRUVTVLWTKJZGC-XJKSGUPXSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]C/C=C/Cl ZINC001480541273 1100370400 /nfs/dbraw/zinc/37/04/00/1100370400.db2.gz VLVJEILWVIKMHR-CMPDVRHESA-N 2 0 335.879 2.179 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001445123020 1100372719 /nfs/dbraw/zinc/37/27/19/1100372719.db2.gz YLASPQCOEDIXOF-IRXDYDNUSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001480571791 1100415896 /nfs/dbraw/zinc/41/58/96/1100415896.db2.gz MERPJDBWYQLIDY-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001496252259 1100820837 /nfs/dbraw/zinc/82/08/37/1100820837.db2.gz XNQWPOSQNZYFPB-KBPBESRZSA-N 2 0 337.430 2.496 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001496252286 1100821051 /nfs/dbraw/zinc/82/10/51/1100821051.db2.gz XSKURKOCCJKYFV-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001496287358 1100870535 /nfs/dbraw/zinc/87/05/35/1100870535.db2.gz HCZWELRCQUXVFT-GDBMZVCRSA-N 2 0 345.478 2.494 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001495345543 1101056395 /nfs/dbraw/zinc/05/63/95/1101056395.db2.gz LDVPTRPMPBWTSB-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)(C(=O)N1CCC[C@H](CC[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001495360050 1101075007 /nfs/dbraw/zinc/07/50/07/1101075007.db2.gz PAFJVXWCYZLBNY-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP COCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001446675300 1101214306 /nfs/dbraw/zinc/21/43/06/1101214306.db2.gz YZHVRZZRUYGKIJ-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001496888191 1101670236 /nfs/dbraw/zinc/67/02/36/1101670236.db2.gz CYJIGMWQQQCEIB-WBVHZDCISA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1F ZINC001497263498 1102217258 /nfs/dbraw/zinc/21/72/58/1102217258.db2.gz MKJYDRRNLDDTPZ-HNNXBMFYSA-N 2 0 335.467 2.460 10 0 EEAERP 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ZINC001507426050 1115262825 /nfs/dbraw/zinc/26/28/25/1115262825.db2.gz DYHHKRZYZQYFAJ-IAGOWNOFSA-N 2 0 348.491 2.234 10 0 EEAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001507801778 1115348909 /nfs/dbraw/zinc/34/89/09/1115348909.db2.gz KCMVLFIQNRPDSE-SJORKVTESA-N 2 0 327.513 2.063 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCc1ccns1)C(C)(C)C)[NH+](C)C ZINC001507963487 1115381382 /nfs/dbraw/zinc/38/13/82/1115381382.db2.gz LOWZDSMNBQFQJB-HUUCEWRRSA-N 2 0 340.537 2.146 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001508227775 1115453227 /nfs/dbraw/zinc/45/32/27/1115453227.db2.gz AQJUOMLYEGDHTE-UHFFFAOYSA-N 2 0 348.516 2.104 10 0 EEAERP CC(C)OCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001567998752 1124223318 /nfs/dbraw/zinc/22/33/18/1124223318.db2.gz YNDLTWHSOXBQGW-QGZVFWFLSA-N 2 0 339.524 2.303 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]C/C=C/Cl)CC1 ZINC001568088884 1124292327 /nfs/dbraw/zinc/29/23/27/1124292327.db2.gz 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UQBHEVDBKFVNPG-ATLSCFEFSA-N 2 0 334.508 2.268 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000247132693 160312218 /nfs/dbraw/zinc/31/22/18/160312218.db2.gz MFNYNXCEWJYCOS-OALUTQOASA-N 2 0 329.488 2.357 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247480986 160325631 /nfs/dbraw/zinc/32/56/31/160325631.db2.gz JLSRUHABOZMMJG-HOTGVXAUSA-N 2 0 348.516 2.375 10 0 EEAERP OCCOCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248402867 160343985 /nfs/dbraw/zinc/34/39/85/160343985.db2.gz NYDZOUASVQWPJK-SLFFLAALSA-N 2 0 332.488 2.276 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000343691724 161159161 /nfs/dbraw/zinc/15/91/61/161159161.db2.gz KNXOASAAQZSTEK-MRXNPFEDSA-N 2 0 345.409 2.231 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000279123418 269263906 /nfs/dbraw/zinc/26/39/06/269263906.db2.gz DCYHVNRUGZBZLE-CAMMJAKZSA-N 2 0 329.488 2.353 10 0 EEAERP 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319016541 /nfs/dbraw/zinc/01/65/41/319016541.db2.gz AMRZCKOEBUDJGI-UHFFFAOYSA-N 2 0 346.475 2.411 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCC[NH2+]1 ZINC000573912494 319978031 /nfs/dbraw/zinc/97/80/31/319978031.db2.gz YDRSZCDRWSZXFC-DAXOMENPSA-N 2 0 329.423 2.129 10 0 EEAERP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574280758 320012375 /nfs/dbraw/zinc/01/23/75/320012375.db2.gz RDVRROPXECHJPD-FQEVSTJZSA-N 2 0 336.439 2.463 10 0 EEAERP C[C@H]1CN(Cc2cccc(NC(=O)CC(F)(F)CN)c2)C[C@H](C)O1 ZINC000576355778 320165249 /nfs/dbraw/zinc/16/52/49/320165249.db2.gz IMGZGWRWEMUPDE-STQMWFEESA-N 2 0 341.402 2.218 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)NCC3([NH3+])CCCCCC3)C2)CC1 ZINC000581180921 324201975 /nfs/dbraw/zinc/20/19/75/324201975.db2.gz YQKOQWBXRSCWME-KRWDZBQOSA-N 2 0 336.524 2.411 10 0 EEAERP CCOC(=O)CCc1cc(NC[C@@H]2CCCC[N@H+](C)C2)nc(C)n1 ZINC000601201439 449747048 /nfs/dbraw/zinc/74/70/48/449747048.db2.gz ORDGPASQZCWGSJ-HNNXBMFYSA-N 2 0 334.464 2.425 10 0 EEAERP CC[NH+]1CCC(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000115786248 462727361 /nfs/dbraw/zinc/72/73/61/462727361.db2.gz DTZRCJJUSRNSKR-UHFFFAOYSA-N 2 0 336.455 2.171 10 0 EEAERP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000118986497 462864711 /nfs/dbraw/zinc/86/47/11/462864711.db2.gz LLKDJEFAEYANOF-ZDUSSCGKSA-N 2 0 340.489 2.059 10 0 EEAERP CN(C)C(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000092078459 462925315 /nfs/dbraw/zinc/92/53/15/462925315.db2.gz OEEAQNQKQSINCK-GOSISDBHSA-N 2 0 329.488 2.276 10 0 EEAERP CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000120783880 463037733 /nfs/dbraw/zinc/03/77/33/463037733.db2.gz QNWCYAZNGPUMES-ZWKOTPCHSA-N 2 0 349.519 2.009 10 0 EEAERP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000120784046 463038060 /nfs/dbraw/zinc/03/80/60/463038060.db2.gz QNWCYAZNGPUMES-ROUUACIJSA-N 2 0 349.519 2.009 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000095956262 463115207 /nfs/dbraw/zinc/11/52/07/463115207.db2.gz ZYBOFEJQMZJPEN-SFHVURJKSA-N 2 0 341.455 2.483 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733836 463245236 /nfs/dbraw/zinc/24/52/36/463245236.db2.gz WOHARVNLEFVULH-HKUYNNGSSA-N 2 0 346.519 2.333 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000072987612 463571381 /nfs/dbraw/zinc/57/13/81/463571381.db2.gz NJNLOZDILKDUJN-INIZCTEOSA-N 2 0 344.503 2.455 10 0 EEAERP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)C[C@H]3CCCO3)ccn2)CC1 ZINC000170040845 463674623 /nfs/dbraw/zinc/67/46/23/463674623.db2.gz IFGJQNONMXYMPW-FUHWJXTLSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+](C2CCC2)C1 ZINC000553526610 468371035 /nfs/dbraw/zinc/37/10/35/468371035.db2.gz ZPZLQGBDYIGQHC-INIZCTEOSA-N 2 0 330.476 2.241 10 0 EEAERP CC1CC[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261787375 463859927 /nfs/dbraw/zinc/85/99/27/463859927.db2.gz HYMASEJTYXJBLF-UHFFFAOYSA-N 2 0 345.487 2.043 10 0 EEAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccc2c(c1)OCO2 ZINC000261910084 463896448 /nfs/dbraw/zinc/89/64/48/463896448.db2.gz IWRGXPVYDYEWTG-ZACQAIPSSA-N 2 0 346.471 2.440 10 0 EEAERP C[NH+](C)CC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000185890900 463900491 /nfs/dbraw/zinc/90/04/91/463900491.db2.gz JOBRDTOCGDZOLS-SFHVURJKSA-N 2 0 331.504 2.398 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000171898028 463944814 /nfs/dbraw/zinc/94/48/14/463944814.db2.gz PVHLCBUVRUJXRF-RTBURBONSA-N 2 0 344.503 2.341 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000195122260 463996155 /nfs/dbraw/zinc/99/61/55/463996155.db2.gz XVJGPKAIAKZHBJ-ZWKOTPCHSA-N 2 0 332.492 2.245 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195123595 463997737 /nfs/dbraw/zinc/99/77/37/463997737.db2.gz GGGCVXZZUUHLHT-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278855760 463999098 /nfs/dbraw/zinc/99/90/98/463999098.db2.gz QTWCQPVTJRQJRN-AEEMCCEDSA-N 2 0 330.472 2.312 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179191651 464077785 /nfs/dbraw/zinc/07/77/85/464077785.db2.gz LNYCYUWIUOKVBL-RTBURBONSA-N 2 0 344.503 2.463 10 0 EEAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)N3CCc4sccc4C3)C2)C1 ZINC000292259093 464176916 /nfs/dbraw/zinc/17/69/16/464176916.db2.gz YLGHBWNFDRTCKO-GOSISDBHSA-N 2 0 333.501 2.051 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000281200367 464368054 /nfs/dbraw/zinc/36/80/54/464368054.db2.gz KCRQFIWLAVIKDB-SFHVURJKSA-N 2 0 335.467 2.439 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000174651934 464433504 /nfs/dbraw/zinc/43/35/04/464433504.db2.gz HLRMCMZGFSDGOE-UHFFFAOYSA-N 2 0 346.519 2.290 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000245655183 464502999 /nfs/dbraw/zinc/50/29/99/464502999.db2.gz NXFZRCKYFNNZNR-OALUTQOASA-N 2 0 344.503 2.463 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000247535146 464691572 /nfs/dbraw/zinc/69/15/72/464691572.db2.gz XWUBITPKQIRPLQ-BPQIPLTHSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248641750 464778178 /nfs/dbraw/zinc/77/81/78/464778178.db2.gz CRKZZEMBPLWESN-WBVHZDCISA-N 2 0 332.492 2.139 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(C2CC2)oc1C ZINC000351811605 465375142 /nfs/dbraw/zinc/37/51/42/465375142.db2.gz OXBIRLLCSGIFDY-INIZCTEOSA-N 2 0 348.491 2.349 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCCOC3)cn2)CC1 ZINC000356829633 465561621 /nfs/dbraw/zinc/56/16/21/465561621.db2.gz ADXGZBNBGOIRLV-AEFFLSMTSA-N 2 0 332.492 2.128 10 0 EEAERP O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCCC1 ZINC000569128072 468445687 /nfs/dbraw/zinc/44/56/87/468445687.db2.gz AAEONJCCRSTGMC-SFHVURJKSA-N 2 0 327.472 2.167 10 0 EEAERP O=C([C@@H]1COCCN1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353453723 465895103 /nfs/dbraw/zinc/89/51/03/465895103.db2.gz ZJXGQHFKMSUJPV-MOPGFXCFSA-N 2 0 349.519 2.107 10 0 EEAERP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555227235 468465246 /nfs/dbraw/zinc/46/52/46/468465246.db2.gz REVZTIPZOSSWNM-YSHGAJCASA-N 2 0 329.488 2.356 10 0 EEAERP COCCN1CC[C@H]([NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000346612536 466115525 /nfs/dbraw/zinc/11/55/25/466115525.db2.gz ZPNFUVYBRMWPDQ-PMACEKPBSA-N 2 0 333.520 2.453 10 0 EEAERP COC[C@]1(C(=O)OC)CCCN1Cc1cc(-n2ccnc2)cs1 ZINC000597219382 468483251 /nfs/dbraw/zinc/48/32/51/468483251.db2.gz BVBKUHYWZSPPRT-INIZCTEOSA-N 2 0 335.429 2.088 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000367616883 466450272 /nfs/dbraw/zinc/45/02/72/466450272.db2.gz MKOLTSBXOIVIAU-RYQLBKOJSA-N 2 0 348.466 2.020 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000358161244 466503703 /nfs/dbraw/zinc/50/37/03/466503703.db2.gz FERIOSHCNLVOQX-SFHVURJKSA-N 2 0 334.508 2.012 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422893793 466686421 /nfs/dbraw/zinc/68/64/21/466686421.db2.gz ASGRBMADGVYCIR-ZTTFOMCMSA-N 2 0 327.472 2.459 10 0 EEAERP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cnc1N1CCOCC1 ZINC000423049187 466690016 /nfs/dbraw/zinc/69/00/16/466690016.db2.gz JNHQAMJKIKRHAF-RYQLBKOJSA-N 2 0 348.466 2.068 10 0 EEAERP COc1cc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000423391922 466736834 /nfs/dbraw/zinc/73/68/34/466736834.db2.gz PUHZOHBYFLXBCC-ABAIWWIYSA-N 2 0 349.372 2.321 10 0 EEAERP [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416868424 466751231 /nfs/dbraw/zinc/75/12/31/466751231.db2.gz FNXOCTOTXUEOSY-MSOLQXFVSA-N 2 0 330.476 2.352 10 0 EEAERP C1C[C@H]([C@H]2CCC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)CO1 ZINC000423506137 466761446 /nfs/dbraw/zinc/76/14/46/466761446.db2.gz HREINGKKVRBDNT-WKKAHXHTSA-N 2 0 335.536 2.388 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000417157016 466792521 /nfs/dbraw/zinc/79/25/21/466792521.db2.gz ACJFIVDJMXJRNP-UXLLHSPISA-N 2 0 348.491 2.257 10 0 EEAERP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000417579811 466886643 /nfs/dbraw/zinc/88/66/43/466886643.db2.gz BOURACGYLGZNRB-UXDRXVOSSA-N 2 0 342.487 2.185 10 0 EEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000417696900 466911235 /nfs/dbraw/zinc/91/12/35/466911235.db2.gz VXOURPDXHKDYCN-MPGHIAIKSA-N 2 0 330.476 2.343 10 0 EEAERP CCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417728952 466918390 /nfs/dbraw/zinc/91/83/90/466918390.db2.gz BJUMBXVUDHNXOE-GDBMZVCRSA-N 2 0 338.521 2.430 10 0 EEAERP CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417814747 466942385 /nfs/dbraw/zinc/94/23/85/466942385.db2.gz BBHQDGRUHSFPSX-BYICEURKSA-N 2 0 334.508 2.318 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417929933 466990446 /nfs/dbraw/zinc/99/04/46/466990446.db2.gz TVOBQOYKWMJNFB-NBOOPKSLSA-N 2 0 332.492 2.322 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000417946472 466999218 /nfs/dbraw/zinc/99/92/18/466999218.db2.gz RMGQTUXLILNZFG-BZSNNMDCSA-N 2 0 330.476 2.263 10 0 EEAERP O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000366111337 467062451 /nfs/dbraw/zinc/06/24/51/467062451.db2.gz BDQOWTWJBPTZJQ-MRXNPFEDSA-N 2 0 345.491 2.175 10 0 EEAERP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418564549 467129107 /nfs/dbraw/zinc/12/91/07/467129107.db2.gz WYOOIAHDYATFNR-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000382745628 467378058 /nfs/dbraw/zinc/37/80/58/467378058.db2.gz SPACZOUSBQRTOA-GBESFXJTSA-N 2 0 329.488 2.342 10 0 EEAERP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386716381 467390721 /nfs/dbraw/zinc/39/07/21/467390721.db2.gz WTIGFWBUFDPJGN-PMACEKPBSA-N 2 0 337.467 2.462 10 0 EEAERP COCC1(C[NH2+]Cc2nccn2Cc2ccccc2)CC[NH2+]CC1 ZINC000414982586 467459978 /nfs/dbraw/zinc/45/99/78/467459978.db2.gz YNYLDPHPKXDBKG-UHFFFAOYSA-N 2 0 328.460 2.037 10 0 EEAERP Fc1ccc(CC[NH+]2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000415007531 467466750 /nfs/dbraw/zinc/46/67/50/467466750.db2.gz UYAOICPAPFAONO-QGZVFWFLSA-N 2 0 341.421 2.419 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000449128932 467619964 /nfs/dbraw/zinc/61/99/64/467619964.db2.gz TUUWNXDNAYLSIR-QGZVFWFLSA-N 2 0 332.488 2.213 10 0 EEAERP COc1cc(C)ccc1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000449199543 467623144 /nfs/dbraw/zinc/62/31/44/467623144.db2.gz CASCWNLILRVUNN-KRWDZBQOSA-N 2 0 335.492 2.186 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396712 467637677 /nfs/dbraw/zinc/63/76/77/467637677.db2.gz MKDKTTMKGOPPFW-CEWLAPEOSA-N 2 0 345.531 2.333 10 0 EEAERP Cc1cncn1CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000529076089 467804149 /nfs/dbraw/zinc/80/41/49/467804149.db2.gz QLCHCFWDWGPQEO-IBGZPJMESA-N 2 0 326.444 2.362 10 0 EEAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529286116 467839610 /nfs/dbraw/zinc/83/96/10/467839610.db2.gz XGYBJTCAGSECKC-GOEBONIOSA-N 2 0 348.516 2.469 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529307984 467843541 /nfs/dbraw/zinc/84/35/41/467843541.db2.gz MZTSSHAHQSKKJD-QZTJIDSGSA-N 2 0 342.487 2.235 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458562937 467857448 /nfs/dbraw/zinc/85/74/48/467857448.db2.gz FDEHJNLPRMPTJG-FAFZWHIHSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+](C2CC2)C1 ZINC000458569558 467859309 /nfs/dbraw/zinc/85/93/09/467859309.db2.gz KWRXMKJDVOOIQS-GTPINHCMSA-N 2 0 336.524 2.233 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000567802231 468213422 /nfs/dbraw/zinc/21/34/22/468213422.db2.gz MNJDJJVBKHCMHT-GTPINHCMSA-N 2 0 339.524 2.290 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569743519 468537768 /nfs/dbraw/zinc/53/77/68/468537768.db2.gz LGSYMSPCZXRYQH-GOSISDBHSA-N 2 0 334.423 2.473 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000600706482 468626563 /nfs/dbraw/zinc/62/65/63/468626563.db2.gz FCCQVOKMIITOMB-SJORKVTESA-N 2 0 332.444 2.266 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000558033952 468663026 /nfs/dbraw/zinc/66/30/26/468663026.db2.gz SWOOBARLLZTKGA-FQEVSTJZSA-N 2 0 342.487 2.161 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)[C@@H](C)C1 ZINC000592393723 468689720 /nfs/dbraw/zinc/68/97/20/468689720.db2.gz KIDUCNPDRBCPQY-JKSUJKDBSA-N 2 0 340.508 2.445 10 0 EEAERP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322571 468938276 /nfs/dbraw/zinc/93/82/76/468938276.db2.gz MLRFCUNUYAPWCH-KZNAEPCWSA-N 2 0 332.444 2.334 10 0 EEAERP C[N@H+](CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CCCCC1 ZINC000573090740 469058260 /nfs/dbraw/zinc/05/82/60/469058260.db2.gz XNDGUDGCQSTOFB-HNNXBMFYSA-N 2 0 345.491 2.284 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000593730999 469112584 /nfs/dbraw/zinc/11/25/84/469112584.db2.gz RAXHQBBAPPQOIX-NWANDNLSSA-N 2 0 338.473 2.396 10 0 EEAERP CN(C(=O)CN1CC(C)(C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000622407016 469435328 /nfs/dbraw/zinc/43/53/28/469435328.db2.gz GHEXQSVFGJGJAQ-GOSISDBHSA-N 2 0 329.488 2.451 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000629392705 469529866 /nfs/dbraw/zinc/52/98/66/469529866.db2.gz SGZHYILEQIKOOG-ZDUSSCGKSA-N 2 0 327.856 2.191 10 0 EEAERP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398430 469531000 /nfs/dbraw/zinc/53/10/00/469531000.db2.gz SYMAPPBYPZYTKB-CYBMUJFWSA-N 2 0 327.856 2.321 10 0 EEAERP C[C@@]1(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000612902160 469575703 /nfs/dbraw/zinc/57/57/03/469575703.db2.gz RBFYCPKWRKWIQK-MOPGFXCFSA-N 2 0 330.476 2.092 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000623340978 469630106 /nfs/dbraw/zinc/63/01/06/469630106.db2.gz ICVFGDYURIQMJH-HXUWFJFHSA-N 3 0 344.547 2.267 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000606703930 469634480 /nfs/dbraw/zinc/63/44/80/469634480.db2.gz JGGZYWNYJGALMB-SFHVURJKSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[NH2+]1 ZINC000626934701 469761144 /nfs/dbraw/zinc/76/11/44/469761144.db2.gz LTDOXEQTFLBSPB-BPQIPLTHSA-N 2 0 330.476 2.263 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCCCO1 ZINC000623868954 469783936 /nfs/dbraw/zinc/78/39/36/469783936.db2.gz LVKORAIDSUVIAV-FXAWDEMLSA-N 2 0 331.504 2.481 10 0 EEAERP C[NH+](C)CC1(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CCCC1 ZINC000623955403 469805116 /nfs/dbraw/zinc/80/51/16/469805116.db2.gz ZAYQSYRDVXRRMS-QGZVFWFLSA-N 2 0 336.524 2.425 10 0 EEAERP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000627116569 469817569 /nfs/dbraw/zinc/81/75/69/469817569.db2.gz NDVSQWONUGSVRH-GOSISDBHSA-N 2 0 344.503 2.279 10 0 EEAERP C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000608648483 469852440 /nfs/dbraw/zinc/85/24/40/469852440.db2.gz VHIFQLHFIVZJNQ-IEBWSBKVSA-N 2 0 344.503 2.387 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000625288801 470112775 /nfs/dbraw/zinc/11/27/75/470112775.db2.gz OPNOZGIHVGPBCK-UHFFFAOYSA-N 2 0 332.492 2.335 10 0 EEAERP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766482 470302173 /nfs/dbraw/zinc/30/21/73/470302173.db2.gz IZQNQDKCYGTKNB-FPOVZHCZSA-N 2 0 341.499 2.405 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772313 470304317 /nfs/dbraw/zinc/30/43/17/470304317.db2.gz GHNWEELNGKRGHW-BJLQDIEVSA-N 2 0 327.472 2.014 10 0 EEAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649288453 470530008 /nfs/dbraw/zinc/53/00/08/470530008.db2.gz RJBKPJVTKAEDNU-OAHLLOKOSA-N 2 0 331.460 2.236 10 0 EEAERP CC[C@@H]1CN(CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000649416595 470580379 /nfs/dbraw/zinc/58/03/79/470580379.db2.gz FSHILTLWZXCBDE-SJORKVTESA-N 2 0 347.507 2.461 10 0 EEAERP c1n[nH]cc1[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776623 470662737 /nfs/dbraw/zinc/66/27/37/470662737.db2.gz CQNYZCYDLIPGFL-QZTJIDSGSA-N 2 0 344.463 2.123 10 0 EEAERP CC[C@H]1CN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC[C@@H]1[NH3+] ZINC000647011647 470805546 /nfs/dbraw/zinc/80/55/46/470805546.db2.gz IMCAZLMUYBTLEY-LPHOPBHVSA-N 2 0 344.503 2.028 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000647631079 470943216 /nfs/dbraw/zinc/94/32/16/470943216.db2.gz FFPNGLBKOKHPMR-KURKYZTESA-N 2 0 337.483 2.428 10 0 EEAERP COC[C@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638131296 470979707 /nfs/dbraw/zinc/97/97/07/470979707.db2.gz LFFGJTUPJMOXJI-XLIONFOSSA-N 2 0 347.503 2.172 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000647902007 471011876 /nfs/dbraw/zinc/01/18/76/471011876.db2.gz YNDUOSXRUXSGAQ-RDJZCZTQSA-N 2 0 347.528 2.487 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000648049358 471067864 /nfs/dbraw/zinc/06/78/64/471067864.db2.gz MEEGFVSLXUIRAM-KRWDZBQOSA-N 2 0 341.459 2.103 10 0 EEAERP O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000648140729 471098847 /nfs/dbraw/zinc/09/88/47/471098847.db2.gz INYZQOLRGLENSR-SFHVURJKSA-N 2 0 327.472 2.101 10 0 EEAERP Cc1ccc2cc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)[nH]c2c1 ZINC000657350287 471109251 /nfs/dbraw/zinc/10/92/51/471109251.db2.gz RTVORHVKTGORBM-MRXNPFEDSA-N 2 0 328.460 2.153 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638513471 471127157 /nfs/dbraw/zinc/12/71/57/471127157.db2.gz MIYVQUUOERYZRM-FHWLQOOXSA-N 2 0 329.488 2.483 10 0 EEAERP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c2c(c1)OCCO2 ZINC000657535180 471163009 /nfs/dbraw/zinc/16/30/09/471163009.db2.gz HTIVVGQUNFXKOF-UHFFFAOYSA-N 2 0 346.471 2.438 10 0 EEAERP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000657576351 471174110 /nfs/dbraw/zinc/17/41/10/471174110.db2.gz JREGRKPEPYEVFW-NSISKUIASA-N 2 0 347.503 2.202 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000651945239 471180363 /nfs/dbraw/zinc/18/03/63/471180363.db2.gz ULBCPQDOPZVLGU-FXAWDEMLSA-N 2 0 332.488 2.213 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1F ZINC000652152599 471245943 /nfs/dbraw/zinc/24/59/43/471245943.db2.gz RKNBVRNJABQCMU-LPHOPBHVSA-N 2 0 348.466 2.158 10 0 EEAERP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C2 ZINC000658105752 471266363 /nfs/dbraw/zinc/26/63/63/471266363.db2.gz DGAYZNLNKBTKEW-FUHWJXTLSA-N 2 0 333.520 2.414 10 0 EEAERP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138738 471270330 /nfs/dbraw/zinc/27/03/30/471270330.db2.gz OONFIRVFGJYZBV-KSSFIOAISA-N 2 0 326.444 2.202 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC/C=C\C[NH3+])cc1 ZINC000669115342 471384773 /nfs/dbraw/zinc/38/47/73/471384773.db2.gz PDZBBFPUXYSGPY-QGZUEGPWSA-N 2 0 330.476 2.375 10 0 EEAERP CCCc1csc(NC(=O)NCCN(C)CCC[NH+](C)C)n1 ZINC000666577525 471453786 /nfs/dbraw/zinc/45/37/86/471453786.db2.gz JIWGETHCOLJPSJ-UHFFFAOYSA-N 2 0 327.498 2.101 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659028789 471474141 /nfs/dbraw/zinc/47/41/41/471474141.db2.gz PJWMJAXXFCKBFQ-GOSISDBHSA-N 2 0 346.475 2.342 10 0 EEAERP C[C@@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(C)(C)C[NH+](C)C ZINC000659039600 471482960 /nfs/dbraw/zinc/48/29/60/471482960.db2.gz LTHSMQNSKBXZEN-RHSMWYFYSA-N 2 0 348.491 2.445 10 0 EEAERP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806101 471489792 /nfs/dbraw/zinc/48/97/92/471489792.db2.gz ZBLGTKIKSDGZAM-NSHGMRRFSA-N 2 0 331.504 2.298 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000655827549 471497362 /nfs/dbraw/zinc/49/73/62/471497362.db2.gz TXAQBSPUVBUUKS-AKAXFMLLSA-N 2 0 342.443 2.278 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000666856419 471563826 /nfs/dbraw/zinc/56/38/26/471563826.db2.gz HDVUNHPWIPPTTC-LJQANCHMSA-N 3 0 330.520 2.450 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659433339 471625355 /nfs/dbraw/zinc/62/53/55/471625355.db2.gz AHLIFAQOSRQBJM-BHIYHBOVSA-N 2 0 344.503 2.306 10 0 EEAERP CSc1ccc([C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)[NH+](C)C)cc1 ZINC000659497068 471656008 /nfs/dbraw/zinc/65/60/08/471656008.db2.gz AWSCVJDZSPRFEB-CRPOECCBSA-N 2 0 348.516 2.062 10 0 EEAERP CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659601085 471696371 /nfs/dbraw/zinc/69/63/71/471696371.db2.gz QPOPWYUBJOHYMJ-MNTYIPCHSA-N 2 0 334.508 2.318 10 0 EEAERP C[C@H](CC[N@@H+]1CCC[C@](O)(C2CC2)C1)[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661628560 471833868 /nfs/dbraw/zinc/83/38/68/471833868.db2.gz VQKNHIKTMQCOKC-AHRSYUTCSA-N 2 0 336.520 2.239 10 0 EEAERP FC1(F)C[C@H]1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000660231471 471912725 /nfs/dbraw/zinc/91/27/25/471912725.db2.gz BSRUARXYTKXSGL-MRXNPFEDSA-N 2 0 332.435 2.235 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000667811437 471916886 /nfs/dbraw/zinc/91/68/86/471916886.db2.gz MGCQDQHDIQBAJU-KSZLIROESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1csc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000665022871 471927291 /nfs/dbraw/zinc/92/72/91/471927291.db2.gz ZBVMURBVOTYHMC-AWEZNQCLSA-N 2 0 326.510 2.128 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654408045 471947232 /nfs/dbraw/zinc/94/72/32/471947232.db2.gz SKNNGXJUXYUICL-OWCLPIDISA-N 2 0 336.480 2.302 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000667952503 471960746 /nfs/dbraw/zinc/96/07/46/471960746.db2.gz KSTWFYVUMODFPS-IBGZPJMESA-N 2 0 327.472 2.035 10 0 EEAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299931 471995087 /nfs/dbraw/zinc/99/50/87/471995087.db2.gz VMZKORCUNRXYOV-OIISXLGYSA-N 2 0 326.444 2.216 10 0 EEAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299929 471995236 /nfs/dbraw/zinc/99/52/36/471995236.db2.gz VMZKORCUNRXYOV-DJIMGWMZSA-N 2 0 326.444 2.216 10 0 EEAERP C[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC2(CCOCC2)O1 ZINC000668088226 472003884 /nfs/dbraw/zinc/00/38/84/472003884.db2.gz WNQFXVYHDLUOAW-HNNXBMFYSA-N 2 0 328.416 2.037 10 0 EEAERP C[N@H+](CCc1ccc(Br)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257409 472046806 /nfs/dbraw/zinc/04/68/06/472046806.db2.gz NYWGSURDVPNDRA-HNNXBMFYSA-N 2 0 339.277 2.444 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662269635 472050693 /nfs/dbraw/zinc/05/06/93/472050693.db2.gz BUXILBZUIVOIHH-UFYCRDLUSA-N 3 0 343.515 2.180 10 0 EEAERP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298662 472060986 /nfs/dbraw/zinc/06/09/86/472060986.db2.gz WQEJXJOSCHKXGH-NVXWUHKLSA-N 2 0 340.475 2.435 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000662324347 472071871 /nfs/dbraw/zinc/07/18/71/472071871.db2.gz VMUSQHLNOQWRMF-WOJBJXKFSA-N 2 0 331.504 2.304 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000668813906 472279411 /nfs/dbraw/zinc/27/94/11/472279411.db2.gz CSCOFAFQIAZZAG-SFHVURJKSA-N 2 0 330.476 2.224 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169123 472333825 /nfs/dbraw/zinc/33/38/25/472333825.db2.gz RSOVBGSKDOQKBF-ZBFHGGJFSA-N 2 0 338.455 2.078 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684953799 486046019 /nfs/dbraw/zinc/04/60/19/486046019.db2.gz LYPOHTLPZZVRNA-KRWDZBQOSA-N 2 0 335.467 2.437 10 0 EEAERP c1ncn2c1CC[C@H](Nc1ncnc3c1cnn3-c1ccccc1)C2 ZINC000672324981 486101872 /nfs/dbraw/zinc/10/18/72/486101872.db2.gz XQFPTKVPQMFFGJ-ZDUSSCGKSA-N 2 0 331.383 2.439 10 0 EEAERP CCN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211798 486173083 /nfs/dbraw/zinc/17/30/83/486173083.db2.gz ZONBITLQEGVYGY-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000448276931 534902631 /nfs/dbraw/zinc/90/26/31/534902631.db2.gz VISFNKPZQHWEDV-SJORKVTESA-N 2 0 345.491 2.035 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418785638 528092213 /nfs/dbraw/zinc/09/22/13/528092213.db2.gz HLAOENXDZHNHJY-KZNAEPCWSA-N 2 0 336.524 2.138 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000744873201 577904570 /nfs/dbraw/zinc/90/45/70/577904570.db2.gz AXBYYROKELGKLG-GOSISDBHSA-N 2 0 336.524 2.425 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000066635222 681761828 /nfs/dbraw/zinc/76/18/28/681761828.db2.gz PZPLXPJWHOCMNC-LJQANCHMSA-N 2 0 329.488 2.246 10 0 EEAERP Cc1noc2ncc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc12 ZINC000894760203 683069472 /nfs/dbraw/zinc/06/94/72/683069472.db2.gz DIWYBBOIPBMIEW-UHFFFAOYSA-N 2 0 333.480 2.237 10 0 EEAERP C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897337949 687144104 /nfs/dbraw/zinc/14/41/04/687144104.db2.gz HZVSYMJGKNCGKF-CUWPLCDZSA-N 2 0 341.499 2.499 10 0 EEAERP [NH3+]C1CCN(CCNC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000322237394 691635973 /nfs/dbraw/zinc/63/59/73/691635973.db2.gz IQGBQABQLIEOCP-UHFFFAOYSA-N 2 0 330.354 2.250 10 0 EEAERP Cc1cc([C@H]([NH3+])Cc2nc(CC3CC[NH2+]CC3)no2)cc(Cl)n1 ZINC000905316007 694599844 /nfs/dbraw/zinc/59/98/44/694599844.db2.gz YQGSGQUQIDXMKF-CYBMUJFWSA-N 2 0 335.839 2.211 10 0 EEAERP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485510639 1191820572 /nfs/dbraw/zinc/82/05/72/1191820572.db2.gz NBLAHOPYLBNOKR-OCCSQVGLSA-N 2 0 335.414 2.250 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC001485582962 1191849289 /nfs/dbraw/zinc/84/92/89/1191849289.db2.gz WXLYQDDOUJNBBU-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP COCc1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001485576338 1191853555 /nfs/dbraw/zinc/85/35/55/1191853555.db2.gz CUIVBOWBPXCRBI-SFHVURJKSA-N 2 0 347.503 2.111 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]CC1CC1)Cc1ccccc1 ZINC001485768654 1191942097 /nfs/dbraw/zinc/94/20/97/1191942097.db2.gz VXABCHVTWRSYLU-LJQANCHMSA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266549743 1176815591 /nfs/dbraw/zinc/81/55/91/1176815591.db2.gz FHEGLLRSHQASAS-ZCNNSNEGSA-N 2 0 341.499 2.489 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC001266568539 1176861967 /nfs/dbraw/zinc/86/19/67/1176861967.db2.gz NZBDBPAARCVVIH-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1C ZINC001266718365 1177269219 /nfs/dbraw/zinc/26/92/19/1177269219.db2.gz MYIZBHKGRUTGJL-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)C[N@H+](C)C1CCC1 ZINC001266726450 1177312643 /nfs/dbraw/zinc/31/26/43/1177312643.db2.gz WJXDYDMNLOOQDX-UHFFFAOYSA-N 2 0 329.897 2.434 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001266767734 1177383747 /nfs/dbraw/zinc/38/37/47/1177383747.db2.gz QNAZUZYGJHVSJU-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP CCOC1CC(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266852427 1177559506 /nfs/dbraw/zinc/55/95/06/1177559506.db2.gz OXKWZWXADXFDAA-WWDZGPRUSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001266856857 1177588392 /nfs/dbraw/zinc/58/83/92/1177588392.db2.gz ZYLODAJZCXGLAR-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCCCC[NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001266916207 1177794505 /nfs/dbraw/zinc/79/45/05/1177794505.db2.gz UWHKATFBWUGQKA-UHFFFAOYSA-N 2 0 339.524 2.304 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)c1cccc2nccn21)C1CCCC1 ZINC001691391031 1177991255 /nfs/dbraw/zinc/99/12/55/1177991255.db2.gz CEUOIOVXAJKJSF-KRWDZBQOSA-N 2 0 344.459 2.201 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001691396292 1178001508 /nfs/dbraw/zinc/00/15/08/1178001508.db2.gz XTUSFSNAINKKTO-BZSNNMDCSA-N 2 0 339.524 2.065 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001267022525 1178105651 /nfs/dbraw/zinc/10/56/51/1178105651.db2.gz JNAYJOQVPLYCCK-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCOC(C)C)C1)[NH+](C)C ZINC001267113797 1178272169 /nfs/dbraw/zinc/27/21/69/1178272169.db2.gz SFBJTXGNQYZTRN-SJORKVTESA-N 2 0 327.513 2.065 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001267118038 1178281964 /nfs/dbraw/zinc/28/19/64/1178281964.db2.gz ZYNXDQFXGDWMFO-IBGZPJMESA-N 2 0 346.519 2.367 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)c2sccc2C[NH+](C)C)c1 ZINC001267380936 1178932235 /nfs/dbraw/zinc/93/22/35/1178932235.db2.gz WEMRJCLVUCSPSW-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)cc2)C1 ZINC001267416364 1178988772 /nfs/dbraw/zinc/98/87/72/1178988772.db2.gz NIZXFBFPAKCTII-GOSISDBHSA-N 2 0 347.503 2.365 10 0 EEAERP Cc1nc(CNCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)co1 ZINC001267473655 1179106129 /nfs/dbraw/zinc/10/61/29/1179106129.db2.gz HXJIAJRXZHCGBJ-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1)[NH+]1CCCCCC1 ZINC001267522243 1179256417 /nfs/dbraw/zinc/25/64/17/1179256417.db2.gz AQVIEMGWWHGXSC-IEBWSBKVSA-N 2 0 347.503 2.080 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001481056992 1179645339 /nfs/dbraw/zinc/64/53/39/1179645339.db2.gz DGZSBYOQEFSLGE-AEFFLSMTSA-N 2 0 345.487 2.118 10 0 EEAERP COCc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001481071296 1179681318 /nfs/dbraw/zinc/68/13/18/1179681318.db2.gz PHVIMTJQZRCAGF-LJQANCHMSA-N 2 0 347.503 2.254 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481125012 1179825834 /nfs/dbraw/zinc/82/58/34/1179825834.db2.gz ZNFKLHOKKUMRLV-SFHVURJKSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127595 1179840552 /nfs/dbraw/zinc/84/05/52/1179840552.db2.gz YOOBKKXECXAHHE-KRWDZBQOSA-N 2 0 349.523 2.051 10 0 EEAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001481231371 1180362462 /nfs/dbraw/zinc/36/24/62/1180362462.db2.gz XQVUOUAWHGSLHO-IBGZPJMESA-N 2 0 329.488 2.193 10 0 EEAERP Cc1ccc(OCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001481266086 1180520522 /nfs/dbraw/zinc/52/05/22/1180520522.db2.gz ZGNSEVWLWYGHDG-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001267885534 1180685769 /nfs/dbraw/zinc/68/57/69/1180685769.db2.gz UPNHNIZDPVNFOF-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1oncc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001481350660 1181093202 /nfs/dbraw/zinc/09/32/02/1181093202.db2.gz OMQJNZSXJRYAFD-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481449796 1181379295 /nfs/dbraw/zinc/37/92/95/1181379295.db2.gz IALVEHWMTZDFHJ-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cc(C[NH+]2CC(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001481654994 1182136668 /nfs/dbraw/zinc/13/66/68/1182136668.db2.gz OFLCOWUDLBDQOC-HNNXBMFYSA-N 2 0 335.517 2.255 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC001481655371 1182139007 /nfs/dbraw/zinc/13/90/07/1182139007.db2.gz YFGXMGMIJZUZER-HNNXBMFYSA-N 2 0 341.455 2.323 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001481656072 1182141646 /nfs/dbraw/zinc/14/16/46/1182141646.db2.gz NQBSZDRWCHQLND-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379812 1182406052 /nfs/dbraw/zinc/40/60/52/1182406052.db2.gz WCMPRTXFIDOYCW-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C1CC[NH+](C)CC1 ZINC001268398291 1182477335 /nfs/dbraw/zinc/47/73/35/1182477335.db2.gz XJYQPUQCCVNUHV-HNNXBMFYSA-N 2 0 342.487 2.494 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001268398199 1182477712 /nfs/dbraw/zinc/47/77/12/1182477712.db2.gz HVWKQCVTVVCDSM-MLGOLLRUSA-N 2 0 340.537 2.331 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC001268413437 1182562235 /nfs/dbraw/zinc/56/22/35/1182562235.db2.gz FSCUHQCZTFDIBG-KGLIPLIRSA-N 2 0 338.521 2.032 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001268425196 1182597275 /nfs/dbraw/zinc/59/72/75/1182597275.db2.gz ZLXOCOWRSQRGND-VQIMIIECSA-N 2 0 331.504 2.228 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439378 1182615212 /nfs/dbraw/zinc/61/52/12/1182615212.db2.gz OKYNGGCUXIDPNF-XLIONFOSSA-N 2 0 343.515 2.324 10 0 EEAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC001481768422 1182653204 /nfs/dbraw/zinc/65/32/04/1182653204.db2.gz NSRVZRJVRFXXPQ-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001481782408 1182695199 /nfs/dbraw/zinc/69/51/99/1182695199.db2.gz PNJHGVQLGPBJKE-LJQANCHMSA-N 2 0 329.488 2.248 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nc2ccccc2o1 ZINC001481823311 1182742761 /nfs/dbraw/zinc/74/27/61/1182742761.db2.gz CXOMTANKPQBIRT-GOEBONIOSA-N 2 0 344.459 2.297 10 0 EEAERP CCN(CC[NH2+]Cc1cccc2cccnc21)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268472170 1182852297 /nfs/dbraw/zinc/85/22/97/1182852297.db2.gz ZRNJNGQOUYSDAK-GOSISDBHSA-N 2 0 340.471 2.267 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001481872200 1182856294 /nfs/dbraw/zinc/85/62/94/1182856294.db2.gz SQPHIMKEJHRFSN-LJQANCHMSA-N 2 0 343.515 2.372 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001481982103 1183077512 /nfs/dbraw/zinc/07/75/12/1183077512.db2.gz FXLLIPXQJUIWEJ-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001482004893 1183110750 /nfs/dbraw/zinc/11/07/50/1183110750.db2.gz YBEQOJVZRDQPTR-KAMYIIQDSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)on1 ZINC001482026676 1183154896 /nfs/dbraw/zinc/15/48/96/1183154896.db2.gz OMUSOJXIVSSLAP-WKILWMFISA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001268540033 1183203192 /nfs/dbraw/zinc/20/31/92/1183203192.db2.gz ZBUOIIYXGSDVFI-NUALSEBGSA-N 2 0 341.499 2.141 10 0 EEAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]Cc1cnc(Cl)s1)C1CCC1 ZINC001268549076 1183231179 /nfs/dbraw/zinc/23/11/79/1183231179.db2.gz CGGAJJMKMYTREN-NSCUHMNNSA-N 2 0 342.896 2.043 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001482134234 1183383220 /nfs/dbraw/zinc/38/32/20/1183383220.db2.gz AFYHNSGPJMRLEG-IKGGRYGDSA-N 2 0 349.523 2.036 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001482158570 1183477667 /nfs/dbraw/zinc/47/76/67/1183477667.db2.gz GEPQTTYQJCAQBQ-AEFFLSMTSA-N 2 0 331.504 2.487 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268602501 1183508343 /nfs/dbraw/zinc/50/83/43/1183508343.db2.gz KRSKVWAJKWLNSA-HKVCONOFSA-N 2 0 327.472 2.466 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cccc(F)c1Cl ZINC001268626213 1183545007 /nfs/dbraw/zinc/54/50/07/1183545007.db2.gz ZGXYRWYPHZICEY-UPHRSURJSA-N 2 0 339.842 2.337 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001268793488 1183709673 /nfs/dbraw/zinc/70/96/73/1183709673.db2.gz QIBKILOAFNNVDQ-JKSUJKDBSA-N 2 0 348.491 2.220 10 0 EEAERP COc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001268812082 1183731701 /nfs/dbraw/zinc/73/17/01/1183731701.db2.gz SZZKYWZACHRQGR-IBGZPJMESA-N 2 0 347.503 2.160 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CCCC1 ZINC001482213793 1184181669 /nfs/dbraw/zinc/18/16/69/1184181669.db2.gz ZILJRDADCVDZJV-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CCOCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001269714485 1184546831 /nfs/dbraw/zinc/54/68/31/1184546831.db2.gz YDZOVDIEUCDWEO-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001269981414 1184763364 /nfs/dbraw/zinc/76/33/64/1184763364.db2.gz LQPRFYIHDNLRML-JKSUJKDBSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364258 1185518186 /nfs/dbraw/zinc/51/81/86/1185518186.db2.gz GBIGIDUJYSIHIP-SFHVURJKSA-N 2 0 331.504 2.460 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482368181 1185528873 /nfs/dbraw/zinc/52/88/73/1185528873.db2.gz NWWOGLMVZVKELE-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](C[NH2+]CCCCCF)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001271013114 1185810453 /nfs/dbraw/zinc/81/04/53/1185810453.db2.gz LTNPMDNKHPKLHH-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001482462915 1185935089 /nfs/dbraw/zinc/93/50/89/1185935089.db2.gz WJLIFTNTEZAUSV-QGZVFWFLSA-N 2 0 348.491 2.248 10 0 EEAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCCF ZINC001271395912 1186186329 /nfs/dbraw/zinc/18/63/29/1186186329.db2.gz UHNJKSVHOKOHKI-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cncc(C)c2)C(C)C)CC[N@@H+]1C ZINC001482530617 1186522192 /nfs/dbraw/zinc/52/21/92/1186522192.db2.gz DDHWDJKAXFFBIN-IPMKNSEASA-N 2 0 346.519 2.351 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(CC)CCO1 ZINC001272042156 1187228589 /nfs/dbraw/zinc/22/85/89/1187228589.db2.gz AYQTVQAKRJDMBC-QLLBUPAMSA-N 2 0 349.519 2.129 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001482608786 1187368711 /nfs/dbraw/zinc/36/87/11/1187368711.db2.gz WBHIZJMPUKAOCY-HNNXBMFYSA-N 2 0 327.513 2.065 10 0 EEAERP CN(CC[N@H+](C)C[C@@H]1CCc2ccccc2C1)C(=O)C[NH+]1CCCC1 ZINC001482648958 1187479963 /nfs/dbraw/zinc/47/99/63/1187479963.db2.gz CPQXUSSAGYCGKS-GOSISDBHSA-N 2 0 343.515 2.278 10 0 EEAERP COCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482695176 1187661768 /nfs/dbraw/zinc/66/17/68/1187661768.db2.gz QOKSEXORHVMHGR-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccccc1OCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482832239 1187752371 /nfs/dbraw/zinc/75/23/71/1187752371.db2.gz DOVKGFZIPIEOGP-KZNAEPCWSA-N 2 0 347.503 2.198 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482963476 1187898494 /nfs/dbraw/zinc/89/84/94/1187898494.db2.gz VSPTWRGFHINZNI-GOSISDBHSA-N 2 0 334.508 2.223 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCCc2ccccc21 ZINC001482992709 1187970671 /nfs/dbraw/zinc/97/06/71/1187970671.db2.gz YIEQNTOTBWAFJY-WFRZBGSESA-N 2 0 327.472 2.420 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001483024809 1188014632 /nfs/dbraw/zinc/01/46/32/1188014632.db2.gz RZZCQCZYXIEPJD-JNXQLMTMSA-N 2 0 348.516 2.230 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001691555614 1188258367 /nfs/dbraw/zinc/25/83/67/1188258367.db2.gz HRWWOMVCMLVBBD-ZWKOTPCHSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001691589582 1188292202 /nfs/dbraw/zinc/29/22/02/1188292202.db2.gz VQOIKJFXACEWTI-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001483081953 1188443501 /nfs/dbraw/zinc/44/35/01/1188443501.db2.gz HZMXWBSYGPYJFC-PYTPGESOSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1cccc(CCC[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001483092237 1188459024 /nfs/dbraw/zinc/45/90/24/1188459024.db2.gz DTIOSYPMBBZAKC-LLHWWHOWSA-N 2 0 329.488 2.141 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl)C(=O)CC[NH+](C)C ZINC001691655773 1193591023 /nfs/dbraw/zinc/59/10/23/1193591023.db2.gz BHTSFGOBJVWBIN-OLZOCXBDSA-N 2 0 336.307 2.055 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485882916 1193628647 /nfs/dbraw/zinc/62/86/47/1193628647.db2.gz XOTPPZYXIYTSBR-OAHLLOKOSA-N 2 0 349.523 2.193 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001485885964 1193629716 /nfs/dbraw/zinc/62/97/16/1193629716.db2.gz QJWWNBMEEPPGPO-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485890524 1193631258 /nfs/dbraw/zinc/63/12/58/1193631258.db2.gz KNKORABODAOYQJ-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H]1[C@@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000905647330 1189847075 /nfs/dbraw/zinc/84/70/75/1189847075.db2.gz DFKCNVPHUBQZPY-YJBOKZPZSA-N 2 0 346.544 2.208 10 0 EEAERP Cc1nc(C)c(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001409624254 1190118526 /nfs/dbraw/zinc/11/85/26/1190118526.db2.gz WOWKCLHWYUMNBB-STQMWFEESA-N 2 0 338.521 2.038 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCOCC1 ZINC001409689048 1190189253 /nfs/dbraw/zinc/18/92/53/1190189253.db2.gz ORAURSAJQNFFHV-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP COCc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001486086820 1193677600 /nfs/dbraw/zinc/67/76/00/1193677600.db2.gz ZSMYYGDUNZQYSC-APWZRJJASA-N 2 0 347.503 2.254 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001483510467 1190522063 /nfs/dbraw/zinc/52/20/63/1190522063.db2.gz KWCNTEPBWUHSMN-MRXNPFEDSA-N 2 0 333.476 2.290 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486122558 1193688244 /nfs/dbraw/zinc/68/82/44/1193688244.db2.gz RWCAQYHYSQWNGP-AEFFLSMTSA-N 2 0 346.519 2.173 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cnccc2C)C1)[NH+](C)C ZINC001272566467 1190880745 /nfs/dbraw/zinc/88/07/45/1190880745.db2.gz XIIXYYYUAXGUSA-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483917121 1191115848 /nfs/dbraw/zinc/11/58/48/1191115848.db2.gz UCXYDRCVGYUMFU-QGBLLJAOSA-N 2 0 346.302 2.370 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001483908360 1191120368 /nfs/dbraw/zinc/12/03/68/1191120368.db2.gz JHIYIPXYBNIEGX-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC(C)C ZINC001483936743 1191124028 /nfs/dbraw/zinc/12/40/28/1191124028.db2.gz UIYQHXAAOPCAQX-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001484022555 1191160413 /nfs/dbraw/zinc/16/04/13/1191160413.db2.gz VUSDXZZRXUOQEY-FGTMMUONSA-N 2 0 339.524 2.207 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCCOc2ccccc2)C1 ZINC001484037292 1191168755 /nfs/dbraw/zinc/16/87/55/1191168755.db2.gz KVMQZXYRJMAIBJ-UYAOXDASSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001484057381 1191185844 /nfs/dbraw/zinc/18/58/44/1191185844.db2.gz JCKSCZPOCGAMJL-MJGOQNOKSA-N 2 0 333.451 2.345 10 0 EEAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001484069944 1191190963 /nfs/dbraw/zinc/19/09/63/1191190963.db2.gz CWKBIHQEUOZBTN-QUCCMNQESA-N 2 0 345.462 2.489 10 0 EEAERP CC[C@@H](C(=O)NCC1(C)CC[NH+](Cc2cncs2)CC1)[NH+](C)C ZINC001484145267 1191234091 /nfs/dbraw/zinc/23/40/91/1191234091.db2.gz RUIONNBGJDLFOP-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484354234 1191315714 /nfs/dbraw/zinc/31/57/14/1191315714.db2.gz XDWJESUOSHJQFC-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](C)F)C[C@@H]2C1)[NH+](CC)CC ZINC001484412084 1191339146 /nfs/dbraw/zinc/33/91/46/1191339146.db2.gz JLLCHQNZNLCTBL-NXOAAHMSSA-N 2 0 327.488 2.245 10 0 EEAERP COC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001484553523 1191411886 /nfs/dbraw/zinc/41/18/86/1191411886.db2.gz GQJKMCAKGRESGR-INIZCTEOSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCCCCF)CCC2)CC[N@@H+]1C ZINC001484647234 1191453030 /nfs/dbraw/zinc/45/30/30/1191453030.db2.gz BLFWZOCSSGZJET-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC2)on1 ZINC001484663116 1191463115 /nfs/dbraw/zinc/46/31/15/1191463115.db2.gz HXCWTZTYDUOQMR-KRWDZBQOSA-N 2 0 348.491 2.232 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CCO1 ZINC001484682002 1191469681 /nfs/dbraw/zinc/46/96/81/1191469681.db2.gz FWAPIMZKVKLVFI-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCOCC2CCC2)CC1)[NH+](C)C ZINC001484724731 1191485265 /nfs/dbraw/zinc/48/52/65/1191485265.db2.gz UXHSXOXBXIPMHC-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001484729774 1191488272 /nfs/dbraw/zinc/48/82/72/1191488272.db2.gz XBOSZCNJXXFUOR-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CCC[N@H+](C)CCC(F)(F)F)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484742566 1191495075 /nfs/dbraw/zinc/49/50/75/1191495075.db2.gz GOVACAQFWBFLLN-AWEZNQCLSA-N 2 0 335.414 2.061 10 0 EEAERP CCCCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001484849717 1191548292 /nfs/dbraw/zinc/54/82/92/1191548292.db2.gz YZWHCBLYVKUWCW-IBGZPJMESA-N 2 0 341.540 2.098 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001485181897 1191679523 /nfs/dbraw/zinc/67/95/23/1191679523.db2.gz UESDBUWCASCGNU-STQMWFEESA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CCN(C)C(=O)C23CC[NH+](CC2)C3)C(C)C)o1 ZINC001485439112 1191785313 /nfs/dbraw/zinc/78/53/13/1191785313.db2.gz CZGODWHRCFWJBM-KRWDZBQOSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCCN1Cc1cnc(C)o1 ZINC001485483851 1191800355 /nfs/dbraw/zinc/80/03/55/1191800355.db2.gz CPNVUYVUIOACLA-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC001486159926 1193706241 /nfs/dbraw/zinc/70/62/41/1193706241.db2.gz LJOPSHIFOVPLJQ-QUCCMNQESA-N 2 0 349.519 2.011 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC001486246466 1193773229 /nfs/dbraw/zinc/77/32/29/1193773229.db2.gz LLAXJQKIWLBPDL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1 ZINC001486248789 1193775594 /nfs/dbraw/zinc/77/55/94/1193775594.db2.gz YJFYWLYMKSRSAI-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C(F)(F)F ZINC001486254585 1193782035 /nfs/dbraw/zinc/78/20/35/1193782035.db2.gz VPKVLXUCOZIGLX-STQMWFEESA-N 2 0 337.430 2.211 10 0 EEAERP CC/C=C\CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001486286092 1193792183 /nfs/dbraw/zinc/79/21/83/1193792183.db2.gz SPOPECNQRHAVJY-OSJSJHBBSA-N 2 0 344.459 2.022 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccnc2)C(C)(C)C)CC[N@@H+]1C ZINC001486400291 1193924039 /nfs/dbraw/zinc/92/40/39/1193924039.db2.gz VAHJIJZBAIBVRO-KSZLIROESA-N 2 0 346.519 2.432 10 0 EEAERP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001486440627 1193968598 /nfs/dbraw/zinc/96/85/98/1193968598.db2.gz VWAYSAWYUNDFRL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001486481601 1193995420 /nfs/dbraw/zinc/99/54/20/1193995420.db2.gz UYKYACDJSNMCSQ-WLYUNCDWSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018594 1194325562 /nfs/dbraw/zinc/32/55/62/1194325562.db2.gz MUNKYSWEURYSRF-CHWSQXEVSA-N 2 0 338.521 2.086 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001410194591 1197596913 /nfs/dbraw/zinc/59/69/13/1197596913.db2.gz UCGDMBUDUVVZQI-GBESFXJTSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001410307920 1197669188 /nfs/dbraw/zinc/66/91/88/1197669188.db2.gz GEGALWBSEFSRIQ-ZWKOTPCHSA-N 2 0 348.491 2.182 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410457003 1197932494 /nfs/dbraw/zinc/93/24/94/1197932494.db2.gz SHTRSKBLJDATKZ-YDHLFZDLSA-N 2 0 338.521 2.118 10 0 EEAERP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872146849 1198053675 /nfs/dbraw/zinc/05/36/75/1198053675.db2.gz ZFBDBRUMHGVWMK-FGTMMUONSA-N 2 0 339.524 2.027 10 0 EEAERP CC1([NH+]2CCCCC2)CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000872146045 1198054557 /nfs/dbraw/zinc/05/45/57/1198054557.db2.gz CQRRAHOFAWVXNZ-PMACEKPBSA-N 2 0 345.531 2.258 10 0 EEAERP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000872157252 1198061425 /nfs/dbraw/zinc/06/14/25/1198061425.db2.gz NWAHXGCYKZSGJU-WBVHZDCISA-N 2 0 342.549 2.431 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC(C)(C)O ZINC000872203463 1198084269 /nfs/dbraw/zinc/08/42/69/1198084269.db2.gz YLPBBICRGLRCDW-JFRXWTBNSA-N 2 0 334.504 2.255 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000865617747 1198299589 /nfs/dbraw/zinc/29/95/89/1198299589.db2.gz QZLRBQFGCYIVHG-XBXGTLAGSA-N 2 0 335.452 2.253 10 0 EEAERP COc1ncncc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774263 1198370607 /nfs/dbraw/zinc/37/06/07/1198370607.db2.gz HISIDFXDOMZNIA-UHFFFAOYSA-N 2 0 326.444 2.238 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCC(F)(F)F)CC2 ZINC001410914059 1198568598 /nfs/dbraw/zinc/56/85/98/1198568598.db2.gz QTBDDXLKLVJIPR-ZFWWWQNUSA-N 2 0 335.414 2.394 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1scnc1C)C(C)(C)C)[NH+](C)C ZINC001411211133 1198920465 /nfs/dbraw/zinc/92/04/65/1198920465.db2.gz VXMHNGBENXKDMW-HIFRSBDPSA-N 2 0 340.537 2.412 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cncs1)C(C)(C)C ZINC001411217926 1198927205 /nfs/dbraw/zinc/92/72/05/1198927205.db2.gz ORJTWWNCJKGZJK-AWEZNQCLSA-N 2 0 326.510 2.105 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1(C2CC[NH+](C(C)C)CC2)CC1 ZINC001411251878 1198975840 /nfs/dbraw/zinc/97/58/40/1198975840.db2.gz OEPAQPOKYZICJV-MRXNPFEDSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CCC[Si](C)(C)C)C[C@H]1C[NH+](C)C ZINC000870017719 1200410022 /nfs/dbraw/zinc/41/00/22/1200410022.db2.gz QRPBIHSRZDCCST-HZPDHXFCSA-N 2 0 327.589 2.303 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000870019004 1200410999 /nfs/dbraw/zinc/41/09/99/1200410999.db2.gz MFVGSJJTSMPGBX-RBSFLKMASA-N 2 0 331.451 2.010 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1C[NH+](C)C ZINC000870021571 1200412064 /nfs/dbraw/zinc/41/20/64/1200412064.db2.gz IFWLJKKGJLVXOA-HUUCEWRRSA-N 2 0 331.451 2.010 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CCSc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870024426 1200413367 /nfs/dbraw/zinc/41/33/67/1200413367.db2.gz BVBKKKUVXVLFAZ-IAGOWNOFSA-N 2 0 349.544 2.367 10 0 EEAERP C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000870875141 1200925202 /nfs/dbraw/zinc/92/52/02/1200925202.db2.gz YVXSSWQZACUQSD-LSWWBPAMSA-N 2 0 327.472 2.082 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870953667 1200974637 /nfs/dbraw/zinc/97/46/37/1200974637.db2.gz IPUFCRIJFYBYMF-SCCNAQOGSA-N 2 0 341.499 2.294 10 0 EEAERP C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000866414665 1201512326 /nfs/dbraw/zinc/51/23/26/1201512326.db2.gz RHQZUWXUDXRZOG-IHPCNDPISA-N 2 0 345.531 2.332 10 0 EEAERP O=C1NCCN1Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000866575065 1201551234 /nfs/dbraw/zinc/55/12/34/1201551234.db2.gz HEWUFMGTWASZQE-UHFFFAOYSA-N 2 0 342.487 2.176 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1scnc1C(F)F ZINC000869236524 1201970926 /nfs/dbraw/zinc/97/09/26/1201970926.db2.gz BGQBAALFKJUCRB-JTQLQIEISA-N 2 0 334.436 2.083 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001691726883 1204226883 /nfs/dbraw/zinc/22/68/83/1204226883.db2.gz DZBPQWYEBIEHOL-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001274035812 1204339822 /nfs/dbraw/zinc/33/98/22/1204339822.db2.gz LSQFXDCMIJIUCY-ZZFUDSBHSA-N 2 0 343.462 2.414 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001274104731 1204373960 /nfs/dbraw/zinc/37/39/60/1204373960.db2.gz CNALHJJKVCYLLX-RTRPANQVSA-N 2 0 339.430 2.313 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C[C@]2(C)C1 ZINC000887934755 1204511873 /nfs/dbraw/zinc/51/18/73/1204511873.db2.gz SXZGYKXXGKCMNC-CTNGQTDRSA-N 2 0 341.499 2.309 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001274350049 1205004194 /nfs/dbraw/zinc/00/41/94/1205004194.db2.gz FQNKPLBVMPBCPT-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429884 1205033522 /nfs/dbraw/zinc/03/35/22/1205033522.db2.gz HRUPBMQQPURLRP-YPZLONQISA-N 2 0 346.475 2.070 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001274437869 1205036041 /nfs/dbraw/zinc/03/60/41/1205036041.db2.gz YCNXLGKFUQCEEE-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCCO1 ZINC001274610222 1205096966 /nfs/dbraw/zinc/09/69/66/1205096966.db2.gz MXGJWAYZGUDMGM-OSFIAYCASA-N 2 0 337.508 2.082 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275704577 1205491987 /nfs/dbraw/zinc/49/19/87/1205491987.db2.gz UJZFLQIAYSWEAG-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCF)CC1 ZINC001275803992 1205540961 /nfs/dbraw/zinc/54/09/61/1205540961.db2.gz CUQYTXJEBLSPPT-DLBZAZTESA-N 2 0 327.488 2.343 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001275912116 1205582539 /nfs/dbraw/zinc/58/25/39/1205582539.db2.gz IYVBXFFUCWJPKU-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC001412434705 1205724436 /nfs/dbraw/zinc/72/44/36/1205724436.db2.gz NAAPFBSQSKGIKO-OALUTQOASA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccnn1CC1CCC1 ZINC000924629460 1206007046 /nfs/dbraw/zinc/00/70/46/1206007046.db2.gz PJOFFNRBLADHBK-MRXNPFEDSA-N 2 0 333.524 2.360 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924807828 1206034625 /nfs/dbraw/zinc/03/46/25/1206034625.db2.gz OIOOQCRTOAULHY-OALUTQOASA-N 2 0 344.503 2.128 10 0 EEAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000925239539 1206086063 /nfs/dbraw/zinc/08/60/63/1206086063.db2.gz FUHRPAGBLFLHQN-QXAKKESOSA-N 2 0 336.524 2.386 10 0 EEAERP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925521191 1206122505 /nfs/dbraw/zinc/12/25/05/1206122505.db2.gz IYDKGQCWICWXPE-OALUTQOASA-N 2 0 329.488 2.347 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000925525536 1206123316 /nfs/dbraw/zinc/12/33/16/1206123316.db2.gz HUTDESLOUSRSFE-DZGCQCFKSA-N 2 0 325.478 2.054 10 0 EEAERP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925546864 1206126185 /nfs/dbraw/zinc/12/61/85/1206126185.db2.gz QMXWHBFSHBAZLA-NZSAHSFTSA-N 2 0 328.504 2.057 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)C12CCC2 ZINC000925552374 1206127005 /nfs/dbraw/zinc/12/70/05/1206127005.db2.gz JYVIYOWJTGYBAU-KURKYZTESA-N 2 0 327.472 2.080 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)C2)c1 ZINC000925554174 1206127035 /nfs/dbraw/zinc/12/70/35/1206127035.db2.gz ZEYWQHFNQPNUHG-NIKGAXFTSA-N 2 0 345.487 2.390 10 0 EEAERP [NH3+]CCC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000925710973 1206145172 /nfs/dbraw/zinc/14/51/72/1206145172.db2.gz LJAQNFVVVRFKBY-ZDUSSCGKSA-N 2 0 338.395 2.033 10 0 EEAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837877 1206158638 /nfs/dbraw/zinc/15/86/38/1206158638.db2.gz ISIVHZSMRRMKNP-CHWSQXEVSA-N 2 0 327.270 2.384 10 0 EEAERP CCO[C@H](CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925838620 1206158866 /nfs/dbraw/zinc/15/88/66/1206158866.db2.gz MQINPVJZNUJFNV-QRVBRYPASA-N 2 0 335.492 2.045 10 0 EEAERP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842482 1206159333 /nfs/dbraw/zinc/15/93/33/1206159333.db2.gz JWSHOTJPDOSNLU-MTFMMBMASA-N 2 0 328.504 2.414 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)CC12CC[NH2+]CC2 ZINC000925848130 1206159919 /nfs/dbraw/zinc/15/99/19/1206159919.db2.gz ANBBBMHRJRXWLD-ZWKOTPCHSA-N 2 0 328.456 2.209 10 0 EEAERP COC(=O)c1csc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925847863 1206160244 /nfs/dbraw/zinc/16/02/44/1206160244.db2.gz WIQZZQUOGBXQQK-AWEZNQCLSA-N 2 0 339.505 2.261 10 0 EEAERP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000929283143 1206462521 /nfs/dbraw/zinc/46/25/21/1206462521.db2.gz NVMWTVHGNIJHCQ-KRWDZBQOSA-N 2 0 331.460 2.181 10 0 EEAERP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(OC)C2=O)CC1)CC(C)C ZINC000930180766 1206539882 /nfs/dbraw/zinc/53/98/82/1206539882.db2.gz ZXNDGLXDTIVXJI-KRWDZBQOSA-N 2 0 325.497 2.229 10 0 EEAERP C[N@H+](C[C@@H](O)CC[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461141 1206559914 /nfs/dbraw/zinc/55/99/14/1206559914.db2.gz UVDZHLPRDDHSFL-WSCSCYJOSA-N 2 0 332.488 2.418 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)c2)CC1 ZINC000930892151 1206590395 /nfs/dbraw/zinc/59/03/95/1206590395.db2.gz FLTGZYJHEIZJFX-QAPCUYQASA-N 2 0 345.491 2.043 10 0 EEAERP C[C@H](C(=O)N(C)C)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931215153 1206616580 /nfs/dbraw/zinc/61/65/80/1206616580.db2.gz DZKHDUYDNQAOKW-NSISKUIASA-N 2 0 329.488 2.307 10 0 EEAERP Cc1ccccc1[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000779342356 1210020365 /nfs/dbraw/zinc/02/03/65/1210020365.db2.gz RNQTXBBSHMLABW-VHRCFOOQSA-N 2 0 343.515 2.271 10 0 EEAERP Cc1ncc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000717962805 1211692601 /nfs/dbraw/zinc/69/26/01/1211692601.db2.gz YGNAKSOJTOBDLC-UHFFFAOYSA-N 2 0 329.444 2.490 10 0 EEAERP C[NH+]1CCC(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000718019404 1211702838 /nfs/dbraw/zinc/70/28/38/1211702838.db2.gz KLNQJJPAPNIGMA-UHFFFAOYSA-N 3 0 345.531 2.335 10 0 EEAERP Cc1ccccc1OCCCN1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001671110952 1212231511 /nfs/dbraw/zinc/23/15/11/1212231511.db2.gz HLCGHWKXTDJATF-GOSISDBHSA-N 2 0 345.487 2.001 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)C12CC[NH+](CC1)C2 ZINC000900018425 1233977672 /nfs/dbraw/zinc/97/76/72/1233977672.db2.gz HAGDKFHJMDZONZ-UHFFFAOYSA-N 2 0 327.472 2.385 10 0 EEAERP C[C@H](c1cccc(NC(=O)C23CC[NH+](CC2)C3)c1)N1CCOCC1 ZINC000900578042 1234510317 /nfs/dbraw/zinc/51/03/17/1234510317.db2.gz YLCQUWAOZITEHY-OAHLLOKOSA-N 2 0 329.444 2.114 10 0 EEAERP C[C@@H]1C[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC000901192340 1235358000 /nfs/dbraw/zinc/35/80/00/1235358000.db2.gz LMVJAQTUTHRNOO-IEBWSBKVSA-N 2 0 341.499 2.499 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CC(C)C)C2CCOCC2)CC1 ZINC000902747207 1238383656 /nfs/dbraw/zinc/38/36/56/1238383656.db2.gz RNODOTSZJUHJOH-IEBWSBKVSA-N 2 0 325.541 2.443 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902789159 1238535237 /nfs/dbraw/zinc/53/52/37/1238535237.db2.gz CWMXWNWTMLDUHK-HBFSDRIKSA-N 2 0 345.531 2.489 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902920793 1239096924 /nfs/dbraw/zinc/09/69/24/1239096924.db2.gz KBRAKERQBXSZEY-BJLQDIEVSA-N 2 0 343.515 2.444 10 0 EEAERP c1ccc(-c2noc(CC[N@@H+]3CC[NH2+]CCC34CCOCC4)n2)cc1 ZINC000903818112 1242071298 /nfs/dbraw/zinc/07/12/98/1242071298.db2.gz WYLUYTQTBADPJD-UHFFFAOYSA-N 2 0 342.443 2.124 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1F ZINC000903876231 1242275291 /nfs/dbraw/zinc/27/52/91/1242275291.db2.gz GBIDHFIJXNXNPK-OAHLLOKOSA-N 2 0 334.439 2.126 10 0 EEAERP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890278 1242346737 /nfs/dbraw/zinc/34/67/37/1242346737.db2.gz BADPOLSQINOTHT-NVXWUHKLSA-N 2 0 344.503 2.418 10 0 EEAERP Cc1ccccc1OCCC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922696 1242513706 /nfs/dbraw/zinc/51/37/06/1242513706.db2.gz CBADTGLMJJRABF-MRXNPFEDSA-N 2 0 329.448 2.070 10 0 EEAERP COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903923443 1242516539 /nfs/dbraw/zinc/51/65/39/1242516539.db2.gz UNJMYEFXZXXPFF-OCCSQVGLSA-N 2 0 334.439 2.344 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cnn1C ZINC000903925140 1242520775 /nfs/dbraw/zinc/52/07/75/1242520775.db2.gz KSQHOKGSPNAMAU-RYRKJORJSA-N 2 0 336.524 2.277 10 0 EEAERP O=C1[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1c1ccccc1F ZINC000903926850 1242527954 /nfs/dbraw/zinc/52/79/54/1242527954.db2.gz UXJZYUVNBBXGGO-BTFYYFJDSA-N 2 0 331.435 2.441 10 0 EEAERP Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972366 1242804161 /nfs/dbraw/zinc/80/41/61/1242804161.db2.gz HHWRLYOHXDKBLU-DLBZAZTESA-N 2 0 345.487 2.460 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001490940282 1258493007 /nfs/dbraw/zinc/49/30/07/1258493007.db2.gz FCELHKMJGOHUIB-IYARVYRRSA-N 2 0 339.524 2.016 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001491027071 1258594676 /nfs/dbraw/zinc/59/46/76/1258594676.db2.gz VDZBKWRRCSRWDS-MIARRUSLSA-N 2 0 334.291 2.417 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001491062753 1258632346 /nfs/dbraw/zinc/63/23/46/1258632346.db2.gz KFOBWBORSJWKOH-YYIAUSFCSA-N 2 0 325.472 2.380 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2cncn2C)C1)c1ccccc1F ZINC001491075744 1258640862 /nfs/dbraw/zinc/64/08/62/1258640862.db2.gz MDZFRWHSOJUCFM-KFWWJZLASA-N 2 0 344.434 2.490 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491169943 1258737951 /nfs/dbraw/zinc/73/79/51/1258737951.db2.gz HYODKSRSMUDXOD-AWEZNQCLSA-N 2 0 337.430 2.499 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491234900 1258821098 /nfs/dbraw/zinc/82/10/98/1258821098.db2.gz OGYRQLSOKHUWIZ-SJORKVTESA-N 2 0 348.491 2.048 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001491300271 1258925927 /nfs/dbraw/zinc/92/59/27/1258925927.db2.gz MZTYSDPEYYJHBP-HOTGVXAUSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)cc1Cl ZINC001491456197 1259100035 /nfs/dbraw/zinc/10/00/35/1259100035.db2.gz DVKWARHVKJNRGU-LALPHHSUSA-N 2 0 341.858 2.414 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001491476705 1259126854 /nfs/dbraw/zinc/12/68/54/1259126854.db2.gz BJCOTDRXCKHFDC-SCLBCKFNSA-N 2 0 348.491 2.293 10 0 EEAERP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850135865 1277060142 /nfs/dbraw/zinc/06/01/42/1277060142.db2.gz WGLFBGHMLBECMB-CQSZACIVSA-N 2 0 343.431 2.366 10 0 EEAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n(C)n1 ZINC000850510228 1277254296 /nfs/dbraw/zinc/25/42/96/1277254296.db2.gz WEVKVOZEHGJTJO-YJBOKZPZSA-N 2 0 328.460 2.146 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001273765255 1285116510 /nfs/dbraw/zinc/11/65/10/1285116510.db2.gz MKHJWECNQASZOJ-GOSISDBHSA-N 2 0 347.503 2.227 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001493129197 1287029117 /nfs/dbraw/zinc/02/91/17/1287029117.db2.gz QPIXYNDDJVQZIO-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1)C12CCC[NH+]1CCC2 ZINC001488940442 1290289367 /nfs/dbraw/zinc/28/93/67/1290289367.db2.gz QIRNZPAASDQAFH-YYCKWKRISA-N 2 0 325.884 2.242 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001490261869 1291146674 /nfs/dbraw/zinc/14/66/74/1291146674.db2.gz TXRBCASUCQURGY-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000852760388 1292189370 /nfs/dbraw/zinc/18/93/70/1292189370.db2.gz FDXZCRBUJCQSFB-INIZCTEOSA-N 2 0 346.427 2.041 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(CO)o3)C2)ccn1 ZINC000856552519 1293563861 /nfs/dbraw/zinc/56/38/61/1293563861.db2.gz DJGOFAZGQOIIRL-SFHVURJKSA-N 2 0 345.443 2.272 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(O)CCCC3)C2)ccn1 ZINC000856590670 1293574172 /nfs/dbraw/zinc/57/41/72/1293574172.db2.gz YJHLCKSXFFTSME-SFHVURJKSA-N 2 0 333.476 2.292 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281062 1294070503 /nfs/dbraw/zinc/07/05/03/1294070503.db2.gz CKWRQELYAJGUDN-LSDHHAIUSA-N 2 0 341.496 2.085 10 0 EEAERP c1c(C2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000886841100 1296774578 /nfs/dbraw/zinc/77/45/78/1296774578.db2.gz BXWOSSXGIVVREY-YLJYHZDGSA-N 2 0 344.503 2.483 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001277040840 1300986656 /nfs/dbraw/zinc/98/66/56/1300986656.db2.gz ZUDLTMAOTRFJKP-JHJVBQTASA-N 2 0 336.307 2.006 10 0 EEAERP CCCCC[NH2+]C1(CNC(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001277209085 1301828270 /nfs/dbraw/zinc/82/82/70/1301828270.db2.gz KSBKLKLLGBTCIQ-UHFFFAOYSA-N 2 0 327.432 2.310 10 0 EEAERP Cc1cc(C[N@@H+](C)C2CCN(C(=O)CCCC[NH+](C)C)CC2)on1 ZINC001277440917 1303026454 /nfs/dbraw/zinc/02/64/54/1303026454.db2.gz IAHAXQCMYWIDBK-UHFFFAOYSA-N 2 0 336.480 2.138 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001277979078 1305508160 /nfs/dbraw/zinc/50/81/60/1305508160.db2.gz OKFMLQZZWAPVBI-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)[C@H]1C ZINC001278307138 1309234287 /nfs/dbraw/zinc/23/42/87/1309234287.db2.gz BMMOBXYJTHAPFG-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001278528628 1317151261 /nfs/dbraw/zinc/15/12/61/1317151261.db2.gz HAVJHQCDHJOJKL-DBWMJRBXSA-N 2 0 327.900 2.442 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001278571380 1317258712 /nfs/dbraw/zinc/25/87/12/1317258712.db2.gz LLRUWECDHXECGJ-HOTGVXAUSA-N 2 0 325.472 2.097 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCCCCF ZINC001278639534 1317527841 /nfs/dbraw/zinc/52/78/41/1317527841.db2.gz KNCWZTXDMPXCDL-IAGOWNOFSA-N 2 0 339.499 2.295 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1CC[NH2+]CCCF ZINC001263957001 1322569148 /nfs/dbraw/zinc/56/91/48/1322569148.db2.gz YVCOUXNFAUUVHZ-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001264187477 1322654776 /nfs/dbraw/zinc/65/47/76/1322654776.db2.gz VODVAWWBYRYPGU-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CCC[NH+](C)C)C2 ZINC001264189775 1322656547 /nfs/dbraw/zinc/65/65/47/1322656547.db2.gz JUFABEPERHDZRH-UHFFFAOYSA-N 2 0 338.521 2.259 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001265001448 1322847994 /nfs/dbraw/zinc/84/79/94/1322847994.db2.gz XETAGICWWZXFNI-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccccc1F ZINC001265114442 1322927328 /nfs/dbraw/zinc/92/73/28/1322927328.db2.gz AFAZWDDSTOZNJV-NVXWUHKLSA-N 2 0 335.467 2.494 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCCC2CCOCC2)C1)[NH+](C)C ZINC001265290222 1323041633 /nfs/dbraw/zinc/04/16/33/1323041633.db2.gz LOXOZBKFCBTCFA-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001265311917 1323061596 /nfs/dbraw/zinc/06/15/96/1323061596.db2.gz CUBFDCZGOFYNKB-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001265485107 1323178293 /nfs/dbraw/zinc/17/82/93/1323178293.db2.gz XWFADAMPYFADMU-MGPQQGTHSA-N 2 0 335.414 2.440 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001265503522 1323186425 /nfs/dbraw/zinc/18/64/25/1323186425.db2.gz XPSZIRXXIZWEEF-DZKIICNBSA-N 2 0 338.883 2.058 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001265621247 1323273782 /nfs/dbraw/zinc/27/37/82/1323273782.db2.gz FXAYNPUQDRPEOS-VUSXOHGVSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265673799 1323313750 /nfs/dbraw/zinc/31/37/50/1323313750.db2.gz MFSAMGPMSWRMDN-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCOc1ccccc1 ZINC001265809306 1323393157 /nfs/dbraw/zinc/39/31/57/1323393157.db2.gz VISMMWRDWOCSSN-MRXNPFEDSA-N 2 0 333.476 2.034 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001265956239 1323518097 /nfs/dbraw/zinc/51/80/97/1323518097.db2.gz GNNQSPWLCODEIE-GJZGRUSLSA-N 2 0 333.467 2.446 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+](C)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001265973873 1323533337 /nfs/dbraw/zinc/53/33/37/1323533337.db2.gz CIUKSYDHBRHVGG-ZWKOTPCHSA-N 2 0 347.503 2.154 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001266012432 1323564180 /nfs/dbraw/zinc/56/41/80/1323564180.db2.gz CSVDWKWQXGPCHA-OAHLLOKOSA-N 2 0 337.895 2.272 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266119554 1323689035 /nfs/dbraw/zinc/68/90/35/1323689035.db2.gz HKCQKOCHHAJRRM-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](Cc2cccnc2)C2CC2)CC1 ZINC001266166308 1323735405 /nfs/dbraw/zinc/73/54/05/1323735405.db2.gz WVKIRLZQFMMGLB-UHFFFAOYSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001279150578 1323841738 /nfs/dbraw/zinc/84/17/38/1323841738.db2.gz VYXVMULZKXVULY-CNBITHIKSA-N 2 0 329.916 2.401 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001280173654 1324103489 /nfs/dbraw/zinc/10/34/89/1324103489.db2.gz QOIBTHLEBDMOLU-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001280295555 1324146242 /nfs/dbraw/zinc/14/62/42/1324146242.db2.gz JELQKNFJMKWWOR-CVEARBPZSA-N 2 0 348.491 2.078 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001282833917 1325801323 /nfs/dbraw/zinc/80/13/23/1325801323.db2.gz RDXKDGICBJWDFO-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001283077434 1325910921 /nfs/dbraw/zinc/91/09/21/1325910921.db2.gz DJGRCHAMJXKJIQ-SMAZGNSSSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283147339 1325934678 /nfs/dbraw/zinc/93/46/78/1325934678.db2.gz VCVQIULZLDMVKH-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283190382 1325950189 /nfs/dbraw/zinc/95/01/89/1325950189.db2.gz DGOYRGOSJCGBNJ-SUMWQHHRSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)Cc1c[nH]cn1 ZINC001283249213 1325970690 /nfs/dbraw/zinc/97/06/90/1325970690.db2.gz MTSBRVRHPFGVMJ-LBPRGKRZSA-N 2 0 336.386 2.305 10 0 EEAERP Cc1nocc1C[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283262350 1325977862 /nfs/dbraw/zinc/97/78/62/1325977862.db2.gz VZZYFXXHRLCIMM-HNNXBMFYSA-N 2 0 336.480 2.089 10 0 EEAERP COCCCCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001284071563 1326392889 /nfs/dbraw/zinc/39/28/89/1326392889.db2.gz MVWSGJZRFKXHSS-FXAWDEMLSA-N 2 0 349.519 2.012 10 0 EEAERP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001284918727 1326776006 /nfs/dbraw/zinc/77/60/06/1326776006.db2.gz ZTPDJPYHQZUAQV-MRXNPFEDSA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCc1nc2c(o1)CCCC2 ZINC001491682141 1330203910 /nfs/dbraw/zinc/20/39/10/1330203910.db2.gz JGUUDRNEHZWKAR-ZBFHGGJFSA-N 2 0 348.491 2.022 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491894844 1330293435 /nfs/dbraw/zinc/29/34/35/1330293435.db2.gz CSOXVWMBNJAVRQ-QZTJIDSGSA-N 2 0 339.524 2.304 10 0 EEAERP CCc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001492042516 1330415303 /nfs/dbraw/zinc/41/53/03/1330415303.db2.gz CISVTTOFIWYNSK-DZGCQCFKSA-N 2 0 338.521 2.174 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001492082291 1330989562 /nfs/dbraw/zinc/98/95/62/1330989562.db2.gz AJNVVDAZHBYNDW-JKSUJKDBSA-N 2 0 345.487 2.043 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)on1 ZINC001492092272 1330999571 /nfs/dbraw/zinc/99/95/71/1330999571.db2.gz MCDSZKWJSOHZPF-ZBFHGGJFSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316769966 1331828348 /nfs/dbraw/zinc/82/83/48/1331828348.db2.gz CMQBENQXYFGAMQ-ROUUACIJSA-N 2 0 341.540 2.358 10 0 EEAERP Cc1cncc(C[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)c1 ZINC001316921034 1331987307 /nfs/dbraw/zinc/98/73/07/1331987307.db2.gz LFTXIUXOPKKTGM-IBGZPJMESA-N 2 0 344.503 2.345 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001317161357 1332106036 /nfs/dbraw/zinc/10/60/36/1332106036.db2.gz HBFNRSHVIMJOND-SFHVURJKSA-N 2 0 332.492 2.142 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1)[NH+](C)C ZINC001317306245 1332172242 /nfs/dbraw/zinc/17/22/42/1332172242.db2.gz SITJQSVSKUVQES-DLBZAZTESA-N 2 0 337.533 2.457 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317359770 1332194405 /nfs/dbraw/zinc/19/44/05/1332194405.db2.gz OXAINUAFCAIKTH-OALUTQOASA-N 2 0 347.503 2.415 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001317425676 1332229645 /nfs/dbraw/zinc/22/96/45/1332229645.db2.gz BBZNHLITNHOOPC-OAHLLOKOSA-N 2 0 327.432 2.262 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317595718 1332316382 /nfs/dbraw/zinc/31/63/82/1332316382.db2.gz AOABKAUUEAHAEX-INIZCTEOSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317684670 1332371477 /nfs/dbraw/zinc/37/14/77/1332371477.db2.gz CKNFRJZUSARJQE-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(CCCCc2ccccc2)C1 ZINC001318037131 1332463621 /nfs/dbraw/zinc/46/36/21/1332463621.db2.gz CIYCLLGVLATKEW-LJQANCHMSA-N 2 0 329.488 2.294 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001318413275 1332527920 /nfs/dbraw/zinc/52/79/20/1332527920.db2.gz NGWLRYRIAFJZCH-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318852545 1332611684 /nfs/dbraw/zinc/61/16/84/1332611684.db2.gz WIUFBDRFHYHLEW-CVEARBPZSA-N 2 0 325.472 2.049 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001318959924 1332629408 /nfs/dbraw/zinc/62/94/08/1332629408.db2.gz UKZMQGAESOPLES-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460502 1332704980 /nfs/dbraw/zinc/70/49/80/1332704980.db2.gz NOIOBTPOVLZJLZ-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCOC1CCC1)[NH+]1CCCCCC1 ZINC001319541543 1332718271 /nfs/dbraw/zinc/71/82/71/1332718271.db2.gz VIRFZPHXSMPJQG-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cnoc1C ZINC001319789777 1332768387 /nfs/dbraw/zinc/76/83/87/1332768387.db2.gz BONCCOYZUUZNAA-INIZCTEOSA-N 2 0 345.447 2.118 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320734331 1332942431 /nfs/dbraw/zinc/94/24/31/1332942431.db2.gz HOYXZNWVNGYDJW-QGZVFWFLSA-N 2 0 336.455 2.032 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC2(CCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065587 1333009397 /nfs/dbraw/zinc/00/93/97/1333009397.db2.gz UWZXCAKAUQUNMT-QFRLHKFZSA-N 2 0 331.504 2.171 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001321757192 1333153435 /nfs/dbraw/zinc/15/34/35/1333153435.db2.gz XTZWCLCRUDYMBY-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)s1 ZINC001322677605 1333305575 /nfs/dbraw/zinc/30/55/75/1333305575.db2.gz CMZWWIJEZXBRJU-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP CCN1CCO[C@H](C(=O)N(C)CCC[NH2+]CCC2CCCCC2)C1 ZINC001322841373 1333338642 /nfs/dbraw/zinc/33/86/42/1333338642.db2.gz HOBXXUCRUKBHKJ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCCCF)C2)C1 ZINC001323843103 1333552762 /nfs/dbraw/zinc/55/27/62/1333552762.db2.gz DMKGQCJYJIRGBV-FUHWJXTLSA-N 2 0 325.472 2.145 10 0 EEAERP O=C(N1CCC[C@H]1C[NH2+]CC[C@H]1CCCCO1)C12CCC[NH+]1CCC2 ZINC001324186690 1333630836 /nfs/dbraw/zinc/63/08/36/1333630836.db2.gz MAIBQDCYPALLHP-ZWKOTPCHSA-N 2 0 349.519 2.155 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC001326304643 1334064535 /nfs/dbraw/zinc/06/45/35/1334064535.db2.gz PZHQGKRUVQMOCC-GDBMZVCRSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326349794 1334073886 /nfs/dbraw/zinc/07/38/86/1334073886.db2.gz OIGXUFNAZHZQID-XIRDDKMYSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCOC)CC2)[NH+](CC)CC ZINC001326599300 1334122764 /nfs/dbraw/zinc/12/27/64/1334122764.db2.gz RHNOCDNHPPDPGK-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001327886797 1334360032 /nfs/dbraw/zinc/36/00/32/1334360032.db2.gz VTJPZQKMISZBHX-YOEHRIQHSA-N 2 0 327.432 2.118 10 0 EEAERP Cc1cccc(OCC[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001328018353 1334379666 /nfs/dbraw/zinc/37/96/66/1334379666.db2.gz SKXIEVCJIGACNP-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1coc(C2CC2)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001330767119 1334898086 /nfs/dbraw/zinc/89/80/86/1334898086.db2.gz CDKLVKFPEZWYJT-BBRMVZONSA-N 2 0 334.464 2.021 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001330978503 1334940074 /nfs/dbraw/zinc/94/00/74/1334940074.db2.gz ZXWLFRTZJPQFEX-DOTOQJQBSA-N 2 0 333.476 2.021 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333020853 1335948676 /nfs/dbraw/zinc/94/86/76/1335948676.db2.gz JJTSFCKBNGDUJB-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@H+](CC(=O)NCC1=CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC001333354050 1336017488 /nfs/dbraw/zinc/01/74/88/1336017488.db2.gz BMJVSCHAPBHPSD-SFHVURJKSA-N 2 0 349.519 2.034 10 0 EEAERP CC[N@@H+]1CCN(c2nnc(C(C)C)n2CC[NH+]2CC=CCC2)C[C@@H]1C ZINC001615851937 1352325412 /nfs/dbraw/zinc/32/54/12/1352325412.db2.gz ZGUPPNGVRQENCB-KRWDZBQOSA-N 2 0 346.523 2.194 10 0 EEAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001433975490 1341735090 /nfs/dbraw/zinc/73/50/90/1341735090.db2.gz XPKOZNSGMQYSBQ-APWZRJJASA-N 2 0 329.488 2.490 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)C2)o1 ZINC001436386092 1342064797 /nfs/dbraw/zinc/06/47/97/1342064797.db2.gz MPMKANQZBXQAOZ-WKILWMFISA-N 2 0 348.491 2.232 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001436392033 1342069350 /nfs/dbraw/zinc/06/93/50/1342069350.db2.gz QBADNBZTXVZSOF-JCNLHEQBSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001505716786 1342238729 /nfs/dbraw/zinc/23/87/29/1342238729.db2.gz LMSDDJLSDQCXRE-ZIAGYGMSSA-N 2 0 331.451 2.246 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001566613801 1342580287 /nfs/dbraw/zinc/58/02/87/1342580287.db2.gz QJUHVOXYDLGUKM-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001566893751 1342647590 /nfs/dbraw/zinc/64/75/90/1342647590.db2.gz NXKUBTILEGVURU-FHWULYQBSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)COCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001566984281 1342673196 /nfs/dbraw/zinc/67/31/96/1342673196.db2.gz ZJRNMNGZYLQRTA-AQEOSJORSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@@H]1C ZINC001569528754 1342893392 /nfs/dbraw/zinc/89/33/92/1342893392.db2.gz YGYAODZKAMZUME-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569820761 1342952219 /nfs/dbraw/zinc/95/22/19/1342952219.db2.gz UQWVIPQUIGWMES-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001569846567 1342957501 /nfs/dbraw/zinc/95/75/01/1342957501.db2.gz CCKFJPAAHQQDDR-QWHCGFSZSA-N 2 0 336.307 2.331 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001571007394 1343148046 /nfs/dbraw/zinc/14/80/46/1343148046.db2.gz FBGAYUJUDIKZSR-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP COc1ccccc1CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757019 1357195027 /nfs/dbraw/zinc/19/50/27/1357195027.db2.gz UZVCRIPNOUAWJC-AEFFLSMTSA-N 2 0 347.503 2.159 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC[C@H]2CCCO2)C(C)(C)C)CC1 ZINC001677280976 1357306513 /nfs/dbraw/zinc/30/65/13/1357306513.db2.gz BWGHHDLOUOAWBY-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)CC[N@@H+]3CC[C@@H](F)C3)cc2)CC1 ZINC001628655663 1352539914 /nfs/dbraw/zinc/53/99/14/1352539914.db2.gz NCXRTRZDYCFQNW-MRXNPFEDSA-N 2 0 348.466 2.201 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001647272499 1353214344 /nfs/dbraw/zinc/21/43/44/1353214344.db2.gz BEJNFICEZUFRGZ-KRWDZBQOSA-N 2 0 343.519 2.449 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001649315811 1353475460 /nfs/dbraw/zinc/47/54/60/1353475460.db2.gz ZTSNYJLJPUQVTG-KZNAEPCWSA-N 2 0 336.524 2.090 10 0 EEAERP [NH3+]CC1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC001650035610 1353695677 /nfs/dbraw/zinc/69/56/77/1353695677.db2.gz AQMRSECEBYSAGW-UHFFFAOYSA-N 2 0 327.270 2.242 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC3CCC(C)([NH+]4CCC4)CC3)[C@@H]2C1 ZINC001650546707 1353984565 /nfs/dbraw/zinc/98/45/65/1353984565.db2.gz CHSXOCMWMFIWJZ-FJZSXJSDSA-N 2 0 334.508 2.033 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001660321547 1354439588 /nfs/dbraw/zinc/43/95/88/1354439588.db2.gz JRKCHLDAZINPSD-HNNXBMFYSA-N 2 0 336.480 2.186 10 0 EEAERP CCCCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001660780927 1354537371 /nfs/dbraw/zinc/53/73/71/1354537371.db2.gz ZWDDBBFUTSYBKX-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001661027831 1354575766 /nfs/dbraw/zinc/57/57/66/1354575766.db2.gz CROBYANRQNPMMM-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)C1)[NH+](C)C ZINC001661497437 1354646422 /nfs/dbraw/zinc/64/64/22/1354646422.db2.gz DCAZRDKNUXFKTK-KZNAEPCWSA-N 2 0 339.524 2.016 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001661833079 1354705394 /nfs/dbraw/zinc/70/53/94/1354705394.db2.gz VQIIZIJXJGYPMW-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001661934203 1354725351 /nfs/dbraw/zinc/72/53/51/1354725351.db2.gz LJWHURVSADHKKJ-MSOLQXFVSA-N 2 0 349.519 2.012 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001663443468 1354962488 /nfs/dbraw/zinc/96/24/88/1354962488.db2.gz UKBWTAOPZCNQQG-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC001664036314 1355078346 /nfs/dbraw/zinc/07/83/46/1355078346.db2.gz GSFOEQONTAXTJU-INIZCTEOSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@](C[NH2+]CC=C(Cl)Cl)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001666037135 1355429820 /nfs/dbraw/zinc/42/98/20/1355429820.db2.gz GUDJZLZJWHVYJB-HNNXBMFYSA-N 2 0 334.291 2.276 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001666256610 1355497673 /nfs/dbraw/zinc/49/76/73/1355497673.db2.gz RRFIDTNULIZWQL-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668060671 1355859720 /nfs/dbraw/zinc/85/97/20/1355859720.db2.gz QLTNHWOLWFVHQS-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668086769 1355865952 /nfs/dbraw/zinc/86/59/52/1355865952.db2.gz IZKBICGGHNBSNX-WMLDXEAASA-N 2 0 334.464 2.066 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1)[NH+]1CCCCCC1 ZINC001668235111 1355906181 /nfs/dbraw/zinc/90/61/81/1355906181.db2.gz YEWNRWNCTMVZHB-DLBZAZTESA-N 2 0 332.492 2.331 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001668581170 1355967600 /nfs/dbraw/zinc/96/76/00/1355967600.db2.gz DWYCBBKMYPFEAX-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001668864841 1356026568 /nfs/dbraw/zinc/02/65/68/1356026568.db2.gz KXCRZMBJSSPRNN-WAYWQWQTSA-N 2 0 329.488 2.495 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001669045929 1356076172 /nfs/dbraw/zinc/07/61/72/1356076172.db2.gz NRKYXKIZXPMTCI-LUNKNMTDSA-N 2 0 331.451 2.414 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669292223 1356141646 /nfs/dbraw/zinc/14/16/46/1356141646.db2.gz AIOCATRDBJMQFJ-HXSXWYSASA-N 2 0 327.472 2.136 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001669385737 1356153516 /nfs/dbraw/zinc/15/35/16/1356153516.db2.gz WKMQMVBIBCKCKE-ZIAGYGMSSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669482163 1356165468 /nfs/dbraw/zinc/16/54/68/1356165468.db2.gz GJHIKOXQTSBJQY-QAPCUYQASA-N 2 0 333.476 2.025 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)on1 ZINC001670358048 1356327033 /nfs/dbraw/zinc/32/70/33/1356327033.db2.gz ZXMRPOLKTCXKIJ-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671554821 1356361829 /nfs/dbraw/zinc/36/18/29/1356361829.db2.gz UDRXQMLVKNPZID-YJBOKZPZSA-N 2 0 345.478 2.433 10 0 EEAERP COCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001672537430 1356549105 /nfs/dbraw/zinc/54/91/05/1356549105.db2.gz HUFMHBHBIFMPQD-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001672917011 1356614876 /nfs/dbraw/zinc/61/48/76/1356614876.db2.gz TVWKSOGJBIZPHQ-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001674463211 1356838931 /nfs/dbraw/zinc/83/89/31/1356838931.db2.gz HUXUNRXIKKQPQD-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001674463635 1356839942 /nfs/dbraw/zinc/83/99/42/1356839942.db2.gz PVMMYXQICAEWOL-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC1CC(C[NH2+]CCc2cccs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001674541938 1356856235 /nfs/dbraw/zinc/85/62/35/1356856235.db2.gz JQZABTDRYXZJJM-PVARCSIZSA-N 2 0 347.528 2.117 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001675030283 1356926149 /nfs/dbraw/zinc/92/61/49/1356926149.db2.gz GSMCALKKUGDYNR-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001698701498 1405019073 /nfs/dbraw/zinc/01/90/73/1405019073.db2.gz QNIONFAMMHUYJD-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001698854537 1405112475 /nfs/dbraw/zinc/11/24/75/1405112475.db2.gz JFUHXMGWYQKILF-PXNSSMCTSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1)[NH+]1CCCCCC1 ZINC001699139960 1405290220 /nfs/dbraw/zinc/29/02/20/1405290220.db2.gz CAZSYTJWHHZILH-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001699261535 1405304656 /nfs/dbraw/zinc/30/46/56/1405304656.db2.gz PMQLACOMSWKPLQ-ZZFUDSBHSA-N 2 0 343.462 2.414 10 0 EEAERP CN(C)C(=O)COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925475272 770470966 /nfs/dbraw/zinc/47/09/66/770470966.db2.gz LESPDBKBPYMMNN-CVEARBPZSA-N 2 0 333.476 2.149 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000925839958 779324653 /nfs/dbraw/zinc/32/46/53/779324653.db2.gz TYYOMOVNYCPTNE-MBNYWOFBSA-N 2 0 339.281 2.112 10 0 EEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC000907434792 784630753 /nfs/dbraw/zinc/63/07/53/784630753.db2.gz ACJVGJAXXGMLKV-GOSISDBHSA-N 2 0 329.488 2.355 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000817897608 785053616 /nfs/dbraw/zinc/05/36/16/785053616.db2.gz TVDSTAURIKNQBX-KRWDZBQOSA-N 2 0 334.508 2.065 10 0 EEAERP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000910283762 786614097 /nfs/dbraw/zinc/61/40/97/786614097.db2.gz MXWZTCAYJUMBAL-KRWDZBQOSA-N 2 0 329.488 2.378 10 0 EEAERP Cn1nccc1[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000922969845 788463153 /nfs/dbraw/zinc/46/31/53/788463153.db2.gz GREOUBGAEYSYNZ-HKUYNNGSSA-N 2 0 340.471 2.240 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711344579 788728791 /nfs/dbraw/zinc/72/87/91/788728791.db2.gz SXOUPJUTYTXEOT-KBAYOESNSA-N 2 0 329.488 2.116 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)CN1CCc2ccccc2C1 ZINC000921525313 788843726 /nfs/dbraw/zinc/84/37/26/788843726.db2.gz QMWADSUDULATPT-MJUUVYJYSA-N 2 0 344.499 2.200 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000923190750 789094354 /nfs/dbraw/zinc/09/43/54/789094354.db2.gz RCGDNFPUOOFIQU-IAGOWNOFSA-N 2 0 347.507 2.246 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923333146 789392201 /nfs/dbraw/zinc/39/22/01/789392201.db2.gz UUFHAHQRHBZLCV-QJPTWQEYSA-N 2 0 333.259 2.402 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ncccc1C(F)(F)F)CC2 ZINC000923447973 789560784 /nfs/dbraw/zinc/56/07/84/789560784.db2.gz YVDJPTPXVNNKJS-GFCCVEGCSA-N 2 0 329.366 2.430 10 0 EEAERP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455425 789571827 /nfs/dbraw/zinc/57/18/27/789571827.db2.gz LQHRQHVBNCZXMO-WMZOPIPTSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1cc2oc(=O)cc(CN3CC[NH2+]CC[NH2+]CC3)c2cc1C(C)C ZINC000923459173 789578760 /nfs/dbraw/zinc/57/87/60/789578760.db2.gz BWOCRZQLRFMIJE-UHFFFAOYSA-N 2 0 343.471 2.220 10 0 EEAERP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498445 789678745 /nfs/dbraw/zinc/67/87/45/789678745.db2.gz PPBGCCAPVJJFNM-OWCLPIDISA-N 2 0 333.476 2.131 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)CC[C@H]1C[NH3+] ZINC000923499422 789682347 /nfs/dbraw/zinc/68/23/47/789682347.db2.gz KNCGGQMUMQENBU-RDJZCZTQSA-N 2 0 328.460 2.416 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923500641 789684566 /nfs/dbraw/zinc/68/45/66/789684566.db2.gz QHVSAWFWUDMJJK-RYUDHWBXSA-N 2 0 329.897 2.277 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000914018410 794744806 /nfs/dbraw/zinc/74/48/06/794744806.db2.gz JLRQKORIAKHIME-VQIMIIECSA-N 2 0 344.503 2.351 10 0 EEAERP COCC[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693160 796443143 /nfs/dbraw/zinc/44/31/43/796443143.db2.gz OCAREXWRXYMXQQ-MUGJNUQGSA-N 2 0 332.488 2.417 10 0 EEAERP 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ZINC001436662425 1088090716 /nfs/dbraw/zinc/09/07/16/1088090716.db2.gz DAQRBHZVZRGOIT-MJGOQNOKSA-N 2 0 340.471 2.485 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436672161 1088116131 /nfs/dbraw/zinc/11/61/31/1088116131.db2.gz RWXGMVOZZCLSDJ-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccccc1F ZINC001436825269 1088428635 /nfs/dbraw/zinc/42/86/35/1088428635.db2.gz HGTLWOWLPQAUHC-KBXCAEBGSA-N 2 0 345.462 2.467 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCF)CC[C@H]21)CC(C)(C)C ZINC001436947015 1088630684 /nfs/dbraw/zinc/63/06/84/1088630684.db2.gz VDXPKWAFXWSPNB-HZPDHXFCSA-N 2 0 327.488 2.247 10 0 EEAERP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001436951390 1088637078 /nfs/dbraw/zinc/63/70/78/1088637078.db2.gz JVAJWSAIUOHLNB-IYBDPMFKSA-N 2 0 348.491 2.373 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001437030899 1088850717 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JGAHSZCGQKXZHN-DLBZAZTESA-N 2 0 346.519 2.483 10 0 EEAERP Cc1ccccc1OCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439404623 1092163154 /nfs/dbraw/zinc/16/31/54/1092163154.db2.gz UOEKYRIRDZLNMJ-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnc(C)s2)CC1 ZINC001446187015 1092262207 /nfs/dbraw/zinc/26/22/07/1092262207.db2.gz WVDMMHUANBDWIJ-HNNXBMFYSA-N 2 0 336.505 2.064 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]Cc2ccccn2)CC1 ZINC001446209409 1092295184 /nfs/dbraw/zinc/29/51/84/1092295184.db2.gz MTVZNAZVIMWGEA-UHFFFAOYSA-N 2 0 344.503 2.473 10 0 EEAERP CCc1ccccc1C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001446262930 1092402108 /nfs/dbraw/zinc/40/21/08/1092402108.db2.gz BXLXGXGBSDBSHE-UHFFFAOYSA-N 2 0 327.472 2.083 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cccc3cccnc32)CC1 ZINC001446273568 1092423035 /nfs/dbraw/zinc/42/30/35/1092423035.db2.gz FVFUTKSHKDBPRY-UHFFFAOYSA-N 2 0 338.455 2.069 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001439812439 1092781783 /nfs/dbraw/zinc/78/17/83/1092781783.db2.gz DWMLEKKOQPCLEK-MSOLQXFVSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001440123915 1093184666 /nfs/dbraw/zinc/18/46/66/1093184666.db2.gz SIGXSGVNDSUYDJ-WCXIOVBPSA-N 2 0 339.499 2.436 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C)co1 ZINC001440133192 1093199168 /nfs/dbraw/zinc/19/91/68/1093199168.db2.gz FZEPSTVBJABXGK-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001440272561 1093387896 /nfs/dbraw/zinc/38/78/96/1093387896.db2.gz ABSCXXNXUMZPNI-VEDLZTCXSA-N 2 0 346.302 2.132 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001440308576 1093437716 /nfs/dbraw/zinc/43/77/16/1093437716.db2.gz TXDAUUVXRQQBFF-DAYGRLMNSA-N 2 0 325.472 2.093 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]Cc2cn(C(C)C)nc2C)CCC1)[NH+](C)C ZINC001440312017 1093442260 /nfs/dbraw/zinc/44/22/60/1093442260.db2.gz FUCWFKWXDGDDMW-QGZVFWFLSA-N 2 0 349.523 2.241 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001440349179 1093501030 /nfs/dbraw/zinc/50/10/30/1093501030.db2.gz HTJAIUNOCIBJBV-WKILWMFISA-N 2 0 348.491 2.150 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](F)CC)C2)C1 ZINC001448511815 1093537483 /nfs/dbraw/zinc/53/74/83/1093537483.db2.gz SIASLOVDRUFUGR-QBPKDAKJSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001448677479 1093743425 /nfs/dbraw/zinc/74/34/25/1093743425.db2.gz JIQMTFKVUGWAIS-YJBOKZPZSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001448677475 1093743907 /nfs/dbraw/zinc/74/39/07/1093743907.db2.gz JIQMTFKVUGWAIS-MAUKXSAKSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001448685396 1093750670 /nfs/dbraw/zinc/75/06/70/1093750670.db2.gz SVJQBXUDMVOFJU-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001440595377 1093859981 /nfs/dbraw/zinc/85/99/81/1093859981.db2.gz FYLGQBOCYFPIDH-MAUKXSAKSA-N 2 0 335.467 2.412 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1C ZINC001448981334 1093984930 /nfs/dbraw/zinc/98/49/30/1093984930.db2.gz LZECOQNXKWTWJS-NVXWUHKLSA-N 2 0 333.476 2.034 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](C[C@@H]1CCCCO1)CC2 ZINC001449006360 1094006136 /nfs/dbraw/zinc/00/61/36/1094006136.db2.gz CTRSGKAYUKNAOP-SCTDSRPQSA-N 2 0 337.508 2.009 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001440800739 1094044901 /nfs/dbraw/zinc/04/49/01/1094044901.db2.gz RVHBPQABEKAETJ-HZPDHXFCSA-N 2 0 347.503 2.471 10 0 EEAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449033100 1094044863 /nfs/dbraw/zinc/04/48/63/1094044863.db2.gz SCHZITFCQKGVHU-RBUKOAKNSA-N 2 0 331.504 2.301 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001440842961 1094099634 /nfs/dbraw/zinc/09/96/34/1094099634.db2.gz PDWUEYFLNSLSPA-ZIAGYGMSSA-N 2 0 335.517 2.444 10 0 EEAERP Cc1ncc(C[NH2+]C2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001440857397 1094117942 /nfs/dbraw/zinc/11/79/42/1094117942.db2.gz IZLLJVJQOSCJNE-UHFFFAOYSA-N 2 0 336.480 2.182 10 0 EEAERP C[C@@H](F)CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001440861224 1094123818 /nfs/dbraw/zinc/12/38/18/1094123818.db2.gz ZXAHATQLNUKKQY-ODIFPOPNSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)N(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449282116 1094230666 /nfs/dbraw/zinc/23/06/66/1094230666.db2.gz WDHZYGOQFFBLSJ-OAHLLOKOSA-N 2 0 331.451 2.152 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccncc1Cl)C(C)(C)C ZINC001449315864 1094269209 /nfs/dbraw/zinc/26/92/09/1094269209.db2.gz GMURIKJRBZEASH-OAHLLOKOSA-N 2 0 340.899 2.307 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC001449371007 1094340113 /nfs/dbraw/zinc/34/01/13/1094340113.db2.gz VDYBFUITEBVAAN-CGTJXYLNSA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1scnc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441115065 1094432852 /nfs/dbraw/zinc/43/28/52/1094432852.db2.gz IZBJVCYHUHDGPH-CABCVRRESA-N 2 0 338.521 2.310 10 0 EEAERP Cc1nc(C[NH2+][C@H](CCNC(=O)C2([NH+](C)C)CCC2)C(C)C)co1 ZINC001441406080 1094981742 /nfs/dbraw/zinc/98/17/42/1094981742.db2.gz RLJOBQIGXNKPSU-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001441463560 1095119953 /nfs/dbraw/zinc/11/99/53/1095119953.db2.gz DPWAVXFRNMSNLB-MJGOQNOKSA-N 2 0 329.488 2.355 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C3CC3)n2)C1 ZINC001441527852 1095233403 /nfs/dbraw/zinc/23/34/03/1095233403.db2.gz LUYSLKVWYXQLMY-OKILXGFUSA-N 2 0 336.505 2.099 10 0 EEAERP CO[C@H](C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001441595959 1095434699 /nfs/dbraw/zinc/43/46/99/1095434699.db2.gz TVALABCBNANPTJ-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)cc1F ZINC001441783646 1095788677 /nfs/dbraw/zinc/78/86/77/1095788677.db2.gz GOLACXVUOVPHMC-NHYWBVRUSA-N 2 0 327.831 2.168 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001441876061 1095994911 /nfs/dbraw/zinc/99/49/11/1095994911.db2.gz YMBMABCETLLGMN-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)n1 ZINC001441912573 1096087856 /nfs/dbraw/zinc/08/78/56/1096087856.db2.gz JGDMDVTYCOQTSO-OAHLLOKOSA-N 2 0 332.492 2.167 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)s1 ZINC001441925778 1096110989 /nfs/dbraw/zinc/11/09/89/1096110989.db2.gz ZPRLBMWKTQHWKM-HNNXBMFYSA-N 2 0 338.521 2.038 10 0 EEAERP CO[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001442217594 1096510945 /nfs/dbraw/zinc/51/09/45/1096510945.db2.gz PYUOTLFAOYULED-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001442226381 1096522935 /nfs/dbraw/zinc/52/29/35/1096522935.db2.gz ZQJFFHZTFVKANL-ZDUSSCGKSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001442343973 1096667221 /nfs/dbraw/zinc/66/72/21/1096667221.db2.gz DALMKRBPSKPPAK-KBXCAEBGSA-N 2 0 348.491 2.374 10 0 EEAERP C[N@@H+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001442401347 1096721770 /nfs/dbraw/zinc/72/17/70/1096721770.db2.gz LVDSIYZSMJQGBJ-NVAPOSRTSA-N 2 0 327.472 2.090 10 0 EEAERP CCCN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1conc1C ZINC001442961711 1097382949 /nfs/dbraw/zinc/38/29/49/1097382949.db2.gz ZWMPFPAVIQSUNQ-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001443190284 1097635085 /nfs/dbraw/zinc/63/50/85/1097635085.db2.gz SAYKBFXWDYZZFA-RTBURBONSA-N 2 0 344.503 2.155 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001443257408 1097734140 /nfs/dbraw/zinc/73/41/40/1097734140.db2.gz DTNFFBKYUWTUBK-OALUTQOASA-N 2 0 329.488 2.357 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001443265529 1097745759 /nfs/dbraw/zinc/74/57/59/1097745759.db2.gz GDPFEKYQVNDRHJ-INIZCTEOSA-N 2 0 335.467 2.494 10 0 EEAERP CC[C@@H](C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001443270004 1097751817 /nfs/dbraw/zinc/75/18/17/1097751817.db2.gz VOABNHZHCZVJFT-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(C[N@H+](C)CCF)CC2)C1 ZINC001443370674 1097891594 /nfs/dbraw/zinc/89/15/94/1097891594.db2.gz LMDKIMKSWAOXHC-IAGOWNOFSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](C(=O)NCC1C[NH+](Cc2ccc(C3CC3)cc2)C1)[NH+](C)C ZINC001443591794 1098082773 /nfs/dbraw/zinc/08/27/73/1098082773.db2.gz JGPYJWREUFTHOC-LJQANCHMSA-N 2 0 329.488 2.452 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001443984179 1098501113 /nfs/dbraw/zinc/50/11/13/1098501113.db2.gz KCHPPTQLBDNQPS-GXTWGEPZSA-N 2 0 327.419 2.462 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1nccs1 ZINC001444001637 1098516218 /nfs/dbraw/zinc/51/62/18/1098516218.db2.gz IRFCKDPGYFKICA-HUUCEWRRSA-N 2 0 338.521 2.390 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1Cl ZINC001444032366 1098551586 /nfs/dbraw/zinc/55/15/86/1098551586.db2.gz FGOAJAAKUUTMPA-UKRRQHHQSA-N 2 0 341.858 2.415 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC1CC1 ZINC001479619211 1098644311 /nfs/dbraw/zinc/64/43/11/1098644311.db2.gz XNTJVISLMDSTMC-MANSERQUSA-N 2 0 333.520 2.297 10 0 EEAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001444134849 1098673213 /nfs/dbraw/zinc/67/32/13/1098673213.db2.gz QOJAESUBCHUBAN-FQEVSTJZSA-N 2 0 341.499 2.465 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001444146188 1098685480 /nfs/dbraw/zinc/68/54/80/1098685480.db2.gz KDVAKMDNBMXGMH-DYVFJYSZSA-N 2 0 343.462 2.248 10 0 EEAERP O=C(NCCC[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001479878728 1099244860 /nfs/dbraw/zinc/24/48/60/1099244860.db2.gz JFMPIGVJWDPXFG-FGTMMUONSA-N 2 0 345.531 2.489 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]([NH2+]Cc1ccns1)C1CC1 ZINC001480026222 1099510314 /nfs/dbraw/zinc/51/03/14/1099510314.db2.gz CSWKKDQNZKLAJS-GDBMZVCRSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C2CC2)cc1C ZINC001480062428 1099591351 /nfs/dbraw/zinc/59/13/51/1099591351.db2.gz BGPBDWBNECAVHI-IBGZPJMESA-N 2 0 329.488 2.384 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001480115655 1099680906 /nfs/dbraw/zinc/68/09/06/1099680906.db2.gz MVKRGZAYTWLWAT-IRXDYDNUSA-N 2 0 335.517 2.356 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCOC1)C1CCCCC1 ZINC001444785341 1099693846 /nfs/dbraw/zinc/69/38/46/1099693846.db2.gz KMRKTPHPMGKOGR-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001480187499 1099782399 /nfs/dbraw/zinc/78/23/99/1099782399.db2.gz CUQKTWXIFQVPSB-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP CN(CC[N@H+](C)C/C=C/c1ccccc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001445060366 1100249275 /nfs/dbraw/zinc/24/92/75/1100249275.db2.gz AOEGDHCQERJXET-QPGLYAHGSA-N 2 0 329.488 2.432 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1)[NH+](C)C ZINC001480487248 1100298154 /nfs/dbraw/zinc/29/81/54/1100298154.db2.gz UEFWKLFYCFIQHY-SWLSCSKDSA-N 2 0 341.883 2.283 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001480591627 1100440139 /nfs/dbraw/zinc/44/01/39/1100440139.db2.gz LTWOWZQUYWBZPI-KBXCAEBGSA-N 2 0 333.451 2.393 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001445229894 1100481716 /nfs/dbraw/zinc/48/17/16/1100481716.db2.gz XGPSQCBLJRAWMV-KLAILNCOSA-N 2 0 325.472 2.334 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001445316308 1100551989 /nfs/dbraw/zinc/55/19/89/1100551989.db2.gz OHIAHCMPZKCQOK-GDBMZVCRSA-N 2 0 349.523 2.308 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496208814 1100750444 /nfs/dbraw/zinc/75/04/44/1100750444.db2.gz YLOFTXHMWVXHSB-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496251089 1100819249 /nfs/dbraw/zinc/81/92/49/1100819249.db2.gz SXPAFIVCAICIGS-WMLDXEAASA-N 2 0 336.480 2.040 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001446452125 1100873267 /nfs/dbraw/zinc/87/32/67/1100873267.db2.gz MCLJATJZEOIFJR-UILUVHTGSA-N 2 0 334.291 2.228 10 0 EEAERP CC(C)C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001496298084 1100885145 /nfs/dbraw/zinc/88/51/45/1100885145.db2.gz YLRNWFOJQXYCPT-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1 ZINC001446543440 1101007697 /nfs/dbraw/zinc/00/76/97/1101007697.db2.gz XBUWBCAQBOWURK-WMZOPIPTSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496432803 1101024433 /nfs/dbraw/zinc/02/44/33/1101024433.db2.gz ZOPOEIWTTOKPHS-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP CC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[NH+](C/C=C/Cl)CC1 ZINC001446630563 1101139473 /nfs/dbraw/zinc/13/94/73/1101139473.db2.gz UQWSINHJPDUZNY-MPUHIQPUSA-N 2 0 339.911 2.299 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001495458488 1101170770 /nfs/dbraw/zinc/17/07/70/1101170770.db2.gz PXANRKDRUSUJEI-KZNAEPCWSA-N 2 0 348.491 2.374 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001496603661 1101204474 /nfs/dbraw/zinc/20/44/74/1101204474.db2.gz UGGJIEYVXNJSMH-CRAIPNDOSA-N 2 0 327.488 2.339 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001446949489 1101643215 /nfs/dbraw/zinc/64/32/15/1101643215.db2.gz QNVCVTTULTZNAL-APWZRJJASA-N 2 0 346.519 2.367 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1 ZINC001446964056 1101672025 /nfs/dbraw/zinc/67/20/25/1101672025.db2.gz UICZZJVCPJDQGK-MUJYYYPQSA-N 2 0 348.516 2.098 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001446976974 1101690076 /nfs/dbraw/zinc/69/00/76/1101690076.db2.gz ZVJLHJKPNKRPSG-HOCLYGCPSA-N 2 0 335.517 2.274 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001495914746 1101758589 /nfs/dbraw/zinc/75/85/89/1101758589.db2.gz KCXIDHGYNDWYHJ-CVEARBPZSA-N 2 0 325.472 2.095 10 0 EEAERP COC[C@H](C)[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001447156846 1102104180 /nfs/dbraw/zinc/10/41/80/1102104180.db2.gz CLDDJBAYDAQJSY-INIZCTEOSA-N 2 0 347.503 2.036 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001496132552 1102117823 /nfs/dbraw/zinc/11/78/23/1102117823.db2.gz RHJUKYZPAXCHKH-INIZCTEOSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cs1 ZINC001497242458 1102182524 /nfs/dbraw/zinc/18/25/24/1102182524.db2.gz XYLRLJLTIWZNPL-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497251040 1102193330 /nfs/dbraw/zinc/19/33/30/1102193330.db2.gz CRIWPYPIHYKELD-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)c1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001497322331 1102321962 /nfs/dbraw/zinc/32/19/62/1102321962.db2.gz JTUKQXIQCGRZKT-CVEARBPZSA-N 2 0 332.492 2.141 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1C ZINC001497332614 1102338699 /nfs/dbraw/zinc/33/86/99/1102338699.db2.gz PRJLDPVGYRXXDJ-CRAIPNDOSA-N 2 0 332.492 2.249 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]C[C@@H]3CCC(F)(F)C3)CCC2)C1 ZINC001447267560 1102343790 /nfs/dbraw/zinc/34/37/90/1102343790.db2.gz QPBXVPQIOLISLH-LSDHHAIUSA-N 2 0 343.462 2.392 10 0 EEAERP CCCc1nc(C)c(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)o1 ZINC001447270662 1102349902 /nfs/dbraw/zinc/34/99/02/1102349902.db2.gz SZNGBBYGRAMGEM-UHFFFAOYSA-N 2 0 348.491 2.160 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497406910 1102442576 /nfs/dbraw/zinc/44/25/76/1102442576.db2.gz GYZUSWVVOOBXQZ-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001447338799 1102477629 /nfs/dbraw/zinc/47/76/29/1102477629.db2.gz CXPRWFAVHQTLIP-OALUTQOASA-N 2 0 344.503 2.379 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497501401 1102589548 /nfs/dbraw/zinc/58/95/48/1102589548.db2.gz UUBPBNQCOBWTSR-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001447435778 1102649835 /nfs/dbraw/zinc/64/98/35/1102649835.db2.gz BPIJBKXZUJBCJY-LJQANCHMSA-N 2 0 348.491 2.138 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001447440218 1102658705 /nfs/dbraw/zinc/65/87/05/1102658705.db2.gz PCVNLZSHHYNVPO-SJLPKXTDSA-N 2 0 339.499 2.391 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001447440926 1102659927 /nfs/dbraw/zinc/65/99/27/1102659927.db2.gz PMGKGCXTYLPTLY-AEFFLSMTSA-N 2 0 345.478 2.340 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)c1cccc2nccn21 ZINC001497633681 1102785617 /nfs/dbraw/zinc/78/56/17/1102785617.db2.gz RROMKZCLXHKARS-UPHRSURJSA-N 2 0 334.370 2.255 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2F)C1 ZINC001497672989 1102872689 /nfs/dbraw/zinc/87/26/89/1102872689.db2.gz BYLDJUAXVUOMLE-PYLYLYNFSA-N 2 0 337.414 2.069 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497678323 1102889499 /nfs/dbraw/zinc/88/94/99/1102889499.db2.gz DWUCMRYUABSIQY-DZCMZPKPSA-N 2 0 343.515 2.394 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497691220 1102911367 /nfs/dbraw/zinc/91/13/67/1102911367.db2.gz KOXMAUZSCYPFMM-DUMMIQTOSA-N 2 0 344.503 2.417 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C(Cl)=C\Cl ZINC001447644655 1103040907 /nfs/dbraw/zinc/04/09/07/1103040907.db2.gz RWYBCEKBEJWIEU-MXSNAFFESA-N 2 0 334.291 2.132 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCc2ccc(OC)cc2)CC[N@@H+]1C ZINC001497818629 1103146864 /nfs/dbraw/zinc/14/68/64/1103146864.db2.gz YMCORXRXOSMFCE-AYOQOUSVSA-N 2 0 347.503 2.062 10 0 EEAERP CC[N@@H+](Cc1nccs1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447741485 1103213074 /nfs/dbraw/zinc/21/30/74/1103213074.db2.gz UGNTXRQKXQEWBC-UHFFFAOYSA-N 2 0 338.521 2.155 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CCC2CCOCC2)C1 ZINC001497884998 1103256036 /nfs/dbraw/zinc/25/60/36/1103256036.db2.gz INWFPHWWDMKIQP-SJLPKXTDSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ncc(C[NH+]2CC[C@H](CCNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001494018932 1103359427 /nfs/dbraw/zinc/35/94/27/1103359427.db2.gz CPONTBVVQVODKJ-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccncc2Cl)C1)[NH+](C)C ZINC001447809819 1103372628 /nfs/dbraw/zinc/37/26/28/1103372628.db2.gz GGKUJOBRMLQJMA-PXCJXSSVSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1cnc(C[NH2+]CC2CC(NC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001447815207 1103377059 /nfs/dbraw/zinc/37/70/59/1103377059.db2.gz GHCPYECQWFIOKG-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001494042536 1103412751 /nfs/dbraw/zinc/41/27/51/1103412751.db2.gz JYUOFIBNJDVUHB-UAGQMJEPSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001447929530 1103621912 /nfs/dbraw/zinc/62/19/12/1103621912.db2.gz MFGWQQUYJAPBGA-GJZGRUSLSA-N 2 0 333.451 2.235 10 0 EEAERP CCc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001447931680 1103629723 /nfs/dbraw/zinc/62/97/23/1103629723.db2.gz OGZPDUCWFXHYKM-CVEARBPZSA-N 2 0 329.488 2.328 10 0 EEAERP C[N@H+](CCF)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001494204887 1103693354 /nfs/dbraw/zinc/69/33/54/1103693354.db2.gz HWSPXUYARZYBRI-SJORKVTESA-N 2 0 325.472 2.143 10 0 EEAERP Cc1cccc(C)c1OCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448148099 1104111096 /nfs/dbraw/zinc/11/10/96/1104111096.db2.gz NRGJFFXGAWMRLI-QZTJIDSGSA-N 2 0 347.503 2.070 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001494773387 1104357028 /nfs/dbraw/zinc/35/70/28/1104357028.db2.gz UWPVAPRGILGFDS-DBVUQKKJSA-N 2 0 343.515 2.322 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001495095010 1104734300 /nfs/dbraw/zinc/73/43/00/1104734300.db2.gz SPUXNVLKKQRTBV-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001497994234 1106753093 /nfs/dbraw/zinc/75/30/93/1106753093.db2.gz YFPUVPFSHGBIKO-CZUORRHYSA-N 2 0 339.430 2.434 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C2)CC[N@@H+]1C ZINC001480645970 1106812475 /nfs/dbraw/zinc/81/24/75/1106812475.db2.gz NBKQQRVFTXHKEI-IMBONUEFSA-N 2 0 348.318 2.474 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480669278 1106850454 /nfs/dbraw/zinc/85/04/54/1106850454.db2.gz DNWMLZRMIRMZMG-SFHVURJKSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480734473 1107005208 /nfs/dbraw/zinc/00/52/08/1107005208.db2.gz GMMBISPCEGEYHI-ZWKOTPCHSA-N 2 0 341.540 2.311 10 0 EEAERP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001480800402 1107138825 /nfs/dbraw/zinc/13/88/25/1107138825.db2.gz HDCJLBFNNIFLEM-OAHLLOKOSA-N 2 0 327.513 2.018 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nsc2ccccc12 ZINC001480809498 1107157423 /nfs/dbraw/zinc/15/74/23/1107157423.db2.gz XUEJBWQLXPQTOX-ZIAGYGMSSA-N 2 0 346.500 2.232 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)n1 ZINC001498396203 1107450416 /nfs/dbraw/zinc/45/04/16/1107450416.db2.gz PHPWORDGORYHCV-INIZCTEOSA-N 2 0 346.519 2.483 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2ncccc2c1)NC(=O)CC[NH+](C)C ZINC001498399086 1107455203 /nfs/dbraw/zinc/45/52/03/1107455203.db2.gz UHICFZPKNLFBDJ-HNNXBMFYSA-N 2 0 328.460 2.123 10 0 EEAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001498416702 1107485366 /nfs/dbraw/zinc/48/53/66/1107485366.db2.gz AFMXNOALWYLNMI-INIZCTEOSA-N 2 0 337.508 2.034 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498551343 1107707502 /nfs/dbraw/zinc/70/75/02/1107707502.db2.gz HVIUPWGQADJCPH-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001493231028 1107730607 /nfs/dbraw/zinc/73/06/07/1107730607.db2.gz TZAZBUNZFJKFDB-SFHVURJKSA-N 2 0 346.519 2.033 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C1(C[NH+](C)C)CC1 ZINC001498602198 1107792071 /nfs/dbraw/zinc/79/20/71/1107792071.db2.gz HUZWFRBXPPKMQH-UHFFFAOYSA-N 2 0 343.515 2.455 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001498987513 1108419244 /nfs/dbraw/zinc/41/92/44/1108419244.db2.gz XSMDUFMZOJMQON-SJORKVTESA-N 2 0 339.499 2.437 10 0 EEAERP Cc1ccc(C)c(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001499067450 1108531982 /nfs/dbraw/zinc/53/19/82/1108531982.db2.gz WGEZPCSCTWLMPH-LPHOPBHVSA-N 2 0 329.488 2.336 10 0 EEAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493725356 1108571976 /nfs/dbraw/zinc/57/19/76/1108571976.db2.gz KNADKPKKUQXYRS-OLZOCXBDSA-N 2 0 334.291 2.370 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001493779113 1108655692 /nfs/dbraw/zinc/65/56/92/1108655692.db2.gz MSNXSZYVRFENIU-HIFRSBDPSA-N 2 0 348.318 2.104 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1ccco1 ZINC001470135360 1110501879 /nfs/dbraw/zinc/50/18/79/1110501879.db2.gz ZDJZLRXADBPFBI-ARFHVFGLSA-N 2 0 336.480 2.444 10 0 EEAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001472447721 1110556401 /nfs/dbraw/zinc/55/64/01/1110556401.db2.gz IGJGHCPSCXMNSB-RBUKOAKNSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCC1(C)C ZINC001478696010 1110656532 /nfs/dbraw/zinc/65/65/32/1110656532.db2.gz SWDRWQMLVYTOIU-JKSUJKDBSA-N 2 0 326.529 2.384 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001479393268 1110690658 /nfs/dbraw/zinc/69/06/58/1110690658.db2.gz FFNLXJTWOGDWQO-ZOBUZTSGSA-N 2 0 333.476 2.192 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001499263514 1112207000 /nfs/dbraw/zinc/20/70/00/1112207000.db2.gz GYPRAROQGWZGKO-ZWKOTPCHSA-N 2 0 327.472 2.397 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001499353011 1112246595 /nfs/dbraw/zinc/24/65/95/1112246595.db2.gz XDFCMELOVLYKLO-SFHVURJKSA-N 2 0 325.472 2.404 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CCCC2)on1 ZINC001500132066 1112631707 /nfs/dbraw/zinc/63/17/07/1112631707.db2.gz ZNKBIRSPZZIMTK-QGZVFWFLSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001500620399 1112982521 /nfs/dbraw/zinc/98/25/21/1112982521.db2.gz MEWKBKXVMZJLSU-CQSZACIVSA-N 2 0 342.434 2.393 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC001501422571 1113354051 /nfs/dbraw/zinc/35/40/51/1113354051.db2.gz WAGZZWOSEZQOCS-FUHWJXTLSA-N 2 0 333.451 2.200 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001501681578 1113431812 /nfs/dbraw/zinc/43/18/12/1113431812.db2.gz MLSUGUQTIMGFNI-APWZRJJASA-N 2 0 347.503 2.330 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001501710751 1113445402 /nfs/dbraw/zinc/44/54/02/1113445402.db2.gz PBOMGQBKKNWFAW-ZOBUZTSGSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001502346431 1113638157 /nfs/dbraw/zinc/63/81/57/1113638157.db2.gz UEXVBMOJHFGSLP-ROUUACIJSA-N 2 0 348.491 2.280 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001502442924 1113686087 /nfs/dbraw/zinc/68/60/87/1113686087.db2.gz HTMMQFALJKKWNM-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001505537945 1114039239 /nfs/dbraw/zinc/03/92/39/1114039239.db2.gz QDLKNKJFXCGOJJ-UHFFFAOYSA-N 2 0 343.462 2.392 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]CC2(NC(=O)C34CC[NH+](CC3)C4)CCCCC2)O1 ZINC001506523416 1114672241 /nfs/dbraw/zinc/67/22/41/1114672241.db2.gz VNTHJAOVQNUYNT-IRXDYDNUSA-N 2 0 349.519 2.058 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506723431 1114833749 /nfs/dbraw/zinc/83/37/49/1114833749.db2.gz JVWUGHPLFWUQAW-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506741270 1114852099 /nfs/dbraw/zinc/85/20/99/1114852099.db2.gz FHXWGOHPDOHQOB-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC1(C)C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001506749536 1114863466 /nfs/dbraw/zinc/86/34/66/1114863466.db2.gz GPCABECYODPRPA-APWZRJJASA-N 2 0 339.499 2.439 10 0 EEAERP CCCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001506749817 1114864126 /nfs/dbraw/zinc/86/41/26/1114864126.db2.gz AWDPHBVWLIXOTM-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001507426557 1115262379 /nfs/dbraw/zinc/26/23/79/1115262379.db2.gz GTWKBLLKFMGZQM-QWHCGFSZSA-N 2 0 334.291 2.276 10 0 EEAERP CC(C)[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001508087714 1115417023 /nfs/dbraw/zinc/41/70/23/1115417023.db2.gz QVNUUGWRBGUYRZ-OLZOCXBDSA-N 2 0 335.414 2.106 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001508133846 1115425065 /nfs/dbraw/zinc/42/50/65/1115425065.db2.gz HWBZOZUOIRLBTI-PBPGXSGUSA-N 2 0 343.515 2.322 10 0 EEAERP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]Cc1cncs1 ZINC001567964206 1124207570 /nfs/dbraw/zinc/20/75/70/1124207570.db2.gz GPVCYFUWJJHEQO-CYBMUJFWSA-N 2 0 343.456 2.397 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCOc1ccccc1)C1CC1 ZINC001568026209 1124237672 /nfs/dbraw/zinc/23/76/72/1124237672.db2.gz NPEKSHIFJBPFJW-QUCCMNQESA-N 2 0 345.487 2.034 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001568087652 1124291975 /nfs/dbraw/zinc/29/19/75/1124291975.db2.gz IUNHWQGQNHIOEI-ARFHVFGLSA-N 2 0 336.455 2.480 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568274346 1124398838 /nfs/dbraw/zinc/39/88/38/1124398838.db2.gz ULUHGUSPEXPMBZ-YLJYHZDGSA-N 2 0 343.515 2.316 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001568345641 1124429149 /nfs/dbraw/zinc/42/91/49/1124429149.db2.gz NTGRXKXIQVWBCP-GOSISDBHSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001568364343 1124439120 /nfs/dbraw/zinc/43/91/20/1124439120.db2.gz VEILBPIPFDPISC-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568630803 1124646178 /nfs/dbraw/zinc/64/61/78/1124646178.db2.gz KMENWUSGWVNKBD-UKRRQHHQSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568685274 1124696554 /nfs/dbraw/zinc/69/65/54/1124696554.db2.gz TZOWIHJENZBXLM-GDBMZVCRSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CC[NH2+]CCC1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001568687773 1124699203 /nfs/dbraw/zinc/69/92/03/1124699203.db2.gz KFZKLLQNLNLTCN-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001568826518 1124843926 /nfs/dbraw/zinc/84/39/26/1124843926.db2.gz CWZMTQWAUFAYLZ-LYOOOYLASA-N 2 0 329.435 2.168 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001568852541 1124872813 /nfs/dbraw/zinc/87/28/13/1124872813.db2.gz WRZGJOALPUNKQO-VHZQRCSFSA-N 2 0 337.414 2.067 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001568879129 1124903883 /nfs/dbraw/zinc/90/38/83/1124903883.db2.gz BYASWKJZVPGDDY-DRJQCUDDSA-N 2 0 331.504 2.313 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568997820 1125031029 /nfs/dbraw/zinc/03/10/29/1125031029.db2.gz LHNYEJRUFDPJPL-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccns1 ZINC001569085094 1125087667 /nfs/dbraw/zinc/08/76/67/1125087667.db2.gz SUAQRYJRYPXKRU-GOEBONIOSA-N 2 0 338.521 2.043 10 0 EEAERP c1ccc(OCCCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000055100443 214272898 /nfs/dbraw/zinc/27/28/98/214272898.db2.gz UYGTZUJAFNZRDH-GOSISDBHSA-N 2 0 334.460 2.056 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000069349841 215384008 /nfs/dbraw/zinc/38/40/08/215384008.db2.gz JGDGFMZWOBRVIQ-OAHLLOKOSA-N 2 0 328.460 2.259 10 0 EEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(Br)c2)CC1 ZINC000038052079 213198450 /nfs/dbraw/zinc/19/84/50/213198450.db2.gz XCJQUKXLDXYMKV-AWEZNQCLSA-N 2 0 342.281 2.095 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422814578 240242299 /nfs/dbraw/zinc/24/22/99/240242299.db2.gz VMHNPFPGAXZIPT-HLIPFELVSA-N 3 0 349.519 2.139 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)c2sccc2C)CC[NH2+]CC1 ZINC000422988951 240318439 /nfs/dbraw/zinc/31/84/39/240318439.db2.gz JZVYBZGPEVJJFZ-KBPBESRZSA-N 2 0 340.489 2.001 10 0 EEAERP C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000425998671 241198981 /nfs/dbraw/zinc/19/89/81/241198981.db2.gz KXRLWZPECVHYHJ-FUHWJXTLSA-N 2 0 331.504 2.420 10 0 EEAERP CCC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C ZINC000451414797 243106135 /nfs/dbraw/zinc/10/61/35/243106135.db2.gz DSEPIJSNTVWLHL-SJORKVTESA-N 2 0 341.540 2.264 10 0 EEAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000246193498 243209731 /nfs/dbraw/zinc/20/97/31/243209731.db2.gz DHOHLTQPWPCHDY-QRQLOZEOSA-N 2 0 349.519 2.011 10 0 EEAERP COC1([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)CCOCC1 ZINC000453055325 243387218 /nfs/dbraw/zinc/38/72/18/243387218.db2.gz ATMIMNGPRQPZJR-INIZCTEOSA-N 2 0 336.476 2.301 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000264123905 246086552 /nfs/dbraw/zinc/08/65/52/246086552.db2.gz XMTOUQMQXGOCTN-UHFFFAOYSA-N 2 0 333.476 2.041 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000245474837 285235372 /nfs/dbraw/zinc/23/53/72/285235372.db2.gz RGPWXEUPGKMPRD-QZTJIDSGSA-N 2 0 332.492 2.415 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000154538538 224268550 /nfs/dbraw/zinc/26/85/50/224268550.db2.gz XLQXUQPERRTFKP-ZWKOTPCHSA-N 2 0 347.503 2.119 10 0 EEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000262610042 152296251 /nfs/dbraw/zinc/29/62/51/152296251.db2.gz BNNVIQZVPROITH-RHSMWYFYSA-N 2 0 348.491 2.070 10 0 EEAERP CCOC(=O)c1csc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000261866145 160422677 /nfs/dbraw/zinc/42/26/77/160422677.db2.gz UVYPDGWXHFLWBC-UHFFFAOYSA-N 2 0 337.489 2.499 10 0 EEAERP CN(CC1CC1)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821580 159227289 /nfs/dbraw/zinc/22/72/89/159227289.db2.gz SLNUNSPJSJOAOO-UHFFFAOYSA-N 2 0 344.503 2.488 10 0 EEAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000104505184 159287822 /nfs/dbraw/zinc/28/78/22/159287822.db2.gz PTNPFSKURLVWFC-ZWKOTPCHSA-N 2 0 347.478 2.448 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COCc2ccccc2F)[C@@H](C)C1 ZINC000246837009 160296757 /nfs/dbraw/zinc/29/67/57/160296757.db2.gz OMSBKAGHTVXTPS-IEZWGBDMSA-N 2 0 338.467 2.365 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247295921 160318438 /nfs/dbraw/zinc/31/84/38/160318438.db2.gz UMXSVYLJADYYGJ-NZSAHSFTSA-N 2 0 344.503 2.283 10 0 EEAERP CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248470220 160348314 /nfs/dbraw/zinc/34/83/14/160348314.db2.gz HSHOOPFPLXCOAZ-LJDZDVQXSA-N 2 0 333.520 2.438 10 0 EEAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000352880429 162327301 /nfs/dbraw/zinc/32/73/01/162327301.db2.gz AGIZTTDDMDNDPF-FQEVSTJZSA-N 2 0 337.552 2.418 10 0 EEAERP CC(C)C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)C(=O)NCC[NH+](C)C ZINC000352909880 162343065 /nfs/dbraw/zinc/34/30/65/162343065.db2.gz NHIWUALGXVINMX-GPANFISMSA-N 2 0 327.513 2.015 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453266200 287037749 /nfs/dbraw/zinc/03/77/49/287037749.db2.gz OBCQKEFZWDBESS-IEBWSBKVSA-N 2 0 349.519 2.124 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000368227611 166073046 /nfs/dbraw/zinc/07/30/46/166073046.db2.gz OWSMMUNJNMQCPN-WMLDXEAASA-N 2 0 345.422 2.008 10 0 EEAERP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccc(C)nc3)CC2)CC1 ZINC000370069131 166387984 /nfs/dbraw/zinc/38/79/84/166387984.db2.gz DUPJOXQVIMSPMW-QGZVFWFLSA-N 2 0 344.503 2.122 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277453917 274293827 /nfs/dbraw/zinc/29/38/27/274293827.db2.gz GLWHOTNTDQFYGB-KRWDZBQOSA-N 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O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418142947 467057215 /nfs/dbraw/zinc/05/72/15/467057215.db2.gz YTPGFCLQQIZHJI-SCTDSRPQSA-N 2 0 348.535 2.425 10 0 EEAERP [NH3+][C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000418425309 467108869 /nfs/dbraw/zinc/10/88/69/467108869.db2.gz HXBCUDXHYYCDOX-SFHVURJKSA-N 2 0 330.476 2.346 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418785637 467158426 /nfs/dbraw/zinc/15/84/26/467158426.db2.gz HLAOENXDZHNHJY-FGTMMUONSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000382753438 467379321 /nfs/dbraw/zinc/37/93/21/467379321.db2.gz DSRBEJUXLREJSO-PKOBYXMFSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000434649356 467414553 /nfs/dbraw/zinc/41/45/53/467414553.db2.gz XFVYCESPUIAHRK-SFHVURJKSA-N 2 0 333.476 2.464 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C(C)(C)CN1CCOCC1 ZINC000414564552 467419412 /nfs/dbraw/zinc/41/94/12/467419412.db2.gz FCQYUNOOSWVJMZ-UHFFFAOYSA-N 2 0 343.475 2.118 10 0 EEAERP c1cnn(-c2ccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cc2)c1 ZINC000415056660 467477645 /nfs/dbraw/zinc/47/76/45/467477645.db2.gz QCNXZDLGDVHUNO-UHFFFAOYSA-N 2 0 339.487 2.178 10 0 EEAERP COc1ccccc1C[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061954 467478415 /nfs/dbraw/zinc/47/84/15/467478415.db2.gz ZKBPLGSRGYQGBQ-IPJUCJBFSA-N 2 0 331.504 2.432 10 0 EEAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000420813796 467488315 /nfs/dbraw/zinc/48/83/15/467488315.db2.gz HOBVDEIOKRYBCS-OKZBNKHCSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COCC2CC2)CC1 ZINC000449114481 467618922 /nfs/dbraw/zinc/61/89/22/467618922.db2.gz CWGUQGPTEJTQLY-UTKZUKDTSA-N 2 0 346.515 2.459 10 0 EEAERP COCC[N@@H+]1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449156946 467621359 /nfs/dbraw/zinc/62/13/59/467621359.db2.gz UEMADJGTKHLATE-NQIIRXRSSA-N 2 0 345.531 2.392 10 0 EEAERP CCc1cc(CCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)on1 ZINC000450640952 467884512 /nfs/dbraw/zinc/88/45/12/467884512.db2.gz HKJKHXPKPZYUQD-VQIMIIECSA-N 2 0 334.508 2.127 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000515341939 467986432 /nfs/dbraw/zinc/98/64/32/467986432.db2.gz CGUFYICWJCRHTF-POAQFYNOSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@H]1C[C@H](Nc2cncc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000519013749 468136214 /nfs/dbraw/zinc/13/62/14/468136214.db2.gz BRYQGRMCIUNVPA-GEEKYZPCSA-N 2 0 332.496 2.266 10 0 EEAERP COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000567697152 468187450 /nfs/dbraw/zinc/18/74/50/468187450.db2.gz PYQBIHBUMQKMOK-GOSISDBHSA-N 2 0 341.411 2.010 10 0 EEAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000594642144 468640124 /nfs/dbraw/zinc/64/01/24/468640124.db2.gz LGBUGFNOQJEVMF-IBGZPJMESA-N 2 0 327.472 2.497 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000595007813 468742024 /nfs/dbraw/zinc/74/20/24/468742024.db2.gz PGJPMFSGUSUWAQ-DLBZAZTESA-N 2 0 341.540 2.216 10 0 EEAERP Fc1cncc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000584058234 468793968 /nfs/dbraw/zinc/79/39/68/468793968.db2.gz NDFBLYMSWKIRGV-UHFFFAOYSA-N 2 0 326.419 2.189 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000571515954 468799209 /nfs/dbraw/zinc/79/92/09/468799209.db2.gz DWWIRGAXNJCHRH-MNLRITNHSA-N 2 0 345.531 2.158 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000562656147 469021253 /nfs/dbraw/zinc/02/12/53/469021253.db2.gz PCSRBMANLSPPMN-GOSISDBHSA-N 2 0 349.438 2.258 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573134520 469068726 /nfs/dbraw/zinc/06/87/26/469068726.db2.gz MCZVSVOJNITFLN-HKUYNNGSSA-N 2 0 329.488 2.499 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595966436 469099924 /nfs/dbraw/zinc/09/99/24/469099924.db2.gz GAIPQAGMPSFICH-QZTJIDSGSA-N 2 0 349.544 2.323 10 0 EEAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000573675861 469182145 /nfs/dbraw/zinc/18/21/45/469182145.db2.gz VUMGYLACVAUURH-UAGQMJEPSA-N 2 0 333.451 2.166 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000617014055 469571511 /nfs/dbraw/zinc/57/15/11/469571511.db2.gz FFAPCHVUPHHAER-MSOLQXFVSA-N 2 0 344.503 2.283 10 0 EEAERP COCCN1CCC([NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623378286 469638656 /nfs/dbraw/zinc/63/86/56/469638656.db2.gz ZXILHPGFBYLFDN-UHFFFAOYSA-N 2 0 334.460 2.437 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000617551054 469722875 /nfs/dbraw/zinc/72/28/75/469722875.db2.gz KDZYLIKDSYREAU-PMACEKPBSA-N 2 0 343.515 2.494 10 0 EEAERP C[N@H+](CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626925315 469756159 /nfs/dbraw/zinc/75/61/59/469756159.db2.gz KGJJYIKVBGWYDE-QGZVFWFLSA-N 2 0 330.476 2.092 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[NH2+]1 ZINC000626941891 469763743 /nfs/dbraw/zinc/76/37/43/469763743.db2.gz GQOGFOGRWFRULQ-KBXCAEBGSA-N 2 0 348.466 2.230 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627194345 469839365 /nfs/dbraw/zinc/83/93/65/469839365.db2.gz AWFPMSGEGBNSHE-PKOBYXMFSA-N 2 0 344.503 2.353 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C[NH2+]1 ZINC000627195071 469840734 /nfs/dbraw/zinc/84/07/34/469840734.db2.gz ISBHOAIJPDBULQ-AEFFLSMTSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199488 469841828 /nfs/dbraw/zinc/84/18/28/469841828.db2.gz YBJDBZSBSDRZEJ-FUHWJXTLSA-N 2 0 344.503 2.433 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000620623662 469878088 /nfs/dbraw/zinc/87/80/88/469878088.db2.gz DOXPCLTXFQOPLE-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620909784 469947942 /nfs/dbraw/zinc/94/79/42/469947942.db2.gz KJBNVTMRBYOXST-HOTGVXAUSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)n1ncnc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000631172569 470086366 /nfs/dbraw/zinc/08/63/66/470086366.db2.gz RVHRTOZWMWIODK-UHFFFAOYSA-N 2 0 328.464 2.256 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000633096123 470349689 /nfs/dbraw/zinc/34/96/89/470349689.db2.gz BBLUOULDZUMEBE-GDAAHCPNSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813445 470355271 /nfs/dbraw/zinc/35/52/71/470355271.db2.gz BEYXLVSAHPLECP-FXAWDEMLSA-N 2 0 348.487 2.133 10 0 EEAERP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000647171872 470847502 /nfs/dbraw/zinc/84/75/02/470847502.db2.gz ZNWKYHYUPCYQAD-UHFFFAOYSA-N 2 0 332.448 2.191 10 0 EEAERP COCCN(C)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479634 470911548 /nfs/dbraw/zinc/91/15/48/470911548.db2.gz NTSCMQHQWHFXNM-ROUUACIJSA-N 2 0 332.492 2.128 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C[C@H]1C[NH3+] ZINC000650714042 470948607 /nfs/dbraw/zinc/94/86/07/470948607.db2.gz OPZIRICRXSZMGT-VQIMIIECSA-N 2 0 328.460 2.191 10 0 EEAERP CCn1c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nc2ccccc21 ZINC000657574537 471173576 /nfs/dbraw/zinc/17/35/76/471173576.db2.gz YONZXTJPWGYWQD-INIZCTEOSA-N 2 0 331.508 2.418 10 0 EEAERP Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000651452793 471174925 /nfs/dbraw/zinc/17/49/25/471174925.db2.gz ZPIRVRGBVQYHOE-CYBMUJFWSA-N 2 0 349.381 2.400 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000651939898 471176669 /nfs/dbraw/zinc/17/66/69/471176669.db2.gz UPZHUAOAROKKPX-NTZUZEMLSA-N 2 0 327.472 2.141 10 0 EEAERP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n(-c2ccccn2)n1 ZINC000657814143 471237299 /nfs/dbraw/zinc/23/72/99/471237299.db2.gz IFMISMPQDGCCKU-UHFFFAOYSA-N 2 0 325.460 2.479 10 0 EEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH2+]C ZINC000652154461 471246494 /nfs/dbraw/zinc/24/64/94/471246494.db2.gz GGVXHSPALKWMIF-SFHVURJKSA-N 2 0 332.492 2.470 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000652210113 471256191 /nfs/dbraw/zinc/25/61/91/471256191.db2.gz HBKOPYIURQPKPQ-CQSZACIVSA-N 2 0 326.444 2.425 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH2+]C)C1 ZINC000652287344 471266989 /nfs/dbraw/zinc/26/69/89/471266989.db2.gz VJEYZHJELDVMEB-MRXNPFEDSA-N 2 0 332.492 2.279 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652288070 471267114 /nfs/dbraw/zinc/26/71/14/471267114.db2.gz SBNKTEKEBOOLCA-ZWKOTPCHSA-N 2 0 330.476 2.032 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341883 471290173 /nfs/dbraw/zinc/29/01/73/471290173.db2.gz KHVIXTCWJORMJP-NQIIRXRSSA-N 2 0 344.547 2.123 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC/C=C\C[NH3+] ZINC000669117739 471385731 /nfs/dbraw/zinc/38/57/31/471385731.db2.gz BLNBDTAGAJVVLG-KJPDOMRESA-N 2 0 330.476 2.375 10 0 EEAERP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CCC(=O)N1 ZINC000666476960 471415878 /nfs/dbraw/zinc/41/58/78/471415878.db2.gz CRPAKUZRVBVRSH-QGZVFWFLSA-N 2 0 333.476 2.116 10 0 EEAERP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CS1 ZINC000655720788 471456564 /nfs/dbraw/zinc/45/65/64/471456564.db2.gz GKONICNJOCNPLT-GOEBONIOSA-N 2 0 341.565 2.487 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCc2occc21 ZINC000663679726 471471037 /nfs/dbraw/zinc/47/10/37/471471037.db2.gz JTCFUTHHBQFRJJ-HOCLYGCPSA-N 2 0 336.480 2.228 10 0 EEAERP Cc1cc(C[NH3+])cc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000659025475 471472813 /nfs/dbraw/zinc/47/28/13/471472813.db2.gz RNKRKKMNZFXIST-KRWDZBQOSA-N 2 0 334.464 2.028 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000653109764 471492988 /nfs/dbraw/zinc/49/29/88/471492988.db2.gz LVUBQSCSHQRFRD-AABGKKOBSA-N 2 0 341.499 2.470 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000669512495 471530114 /nfs/dbraw/zinc/53/01/14/471530114.db2.gz JYTJREUHMMZXMQ-AWEZNQCLSA-N 2 0 326.444 2.362 10 0 EEAERP Cc1ccc(CNC(=O)N[C@H](C)c2nccn2C)c(N2CCCC2)n1 ZINC000661007735 471585277 /nfs/dbraw/zinc/58/52/77/471585277.db2.gz BXTVBXNLZRLREL-CQSZACIVSA-N 2 0 342.447 2.284 10 0 EEAERP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659382590 471600019 /nfs/dbraw/zinc/60/00/19/471600019.db2.gz QTTRDGHRBVHPBN-AEFFLSMTSA-N 2 0 329.488 2.260 10 0 EEAERP CCN(C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664069228 471627968 /nfs/dbraw/zinc/62/79/68/471627968.db2.gz AYZYZBJDUMTLLQ-WMZOPIPTSA-N 2 0 332.492 2.243 10 0 EEAERP CN(CC(C)(C)[NH3+])C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000659484695 471651931 /nfs/dbraw/zinc/65/19/31/471651931.db2.gz ZCNNCHOGXUNZQE-LJQANCHMSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661627249 471832639 /nfs/dbraw/zinc/83/26/39/471832639.db2.gz PSJLHALEZPKJCT-RXYDEIHYSA-N 2 0 326.525 2.054 10 0 EEAERP CCN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664782175 471859813 /nfs/dbraw/zinc/85/98/13/471859813.db2.gz IZAHDTBSYNJWCA-RBUKOAKNSA-N 2 0 344.503 2.244 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667780295 471901951 /nfs/dbraw/zinc/90/19/51/471901951.db2.gz GYYMDZBDYMACIK-NHCUHLMSSA-N 2 0 343.515 2.351 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1ccco1 ZINC000667811476 471916485 /nfs/dbraw/zinc/91/64/85/471916485.db2.gz NCYSSILTQQHXCS-SJORKVTESA-N 2 0 335.492 2.333 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)s1 ZINC000667811998 471916612 /nfs/dbraw/zinc/91/66/12/471916612.db2.gz ALULZHMVWBXOHJ-ZDUSSCGKSA-N 2 0 327.469 2.375 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1ccco1 ZINC000667811474 471916755 /nfs/dbraw/zinc/91/67/55/471916755.db2.gz NCYSSILTQQHXCS-IAGOWNOFSA-N 2 0 335.492 2.333 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000654402990 471944967 /nfs/dbraw/zinc/94/49/67/471944967.db2.gz AGEYUCHGZQTJDJ-GASCZTMLSA-N 2 0 345.422 2.151 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000660357255 471956134 /nfs/dbraw/zinc/95/61/34/471956134.db2.gz GGJBJVSMTHDXNT-UHFFFAOYSA-N 2 0 332.492 2.231 10 0 EEAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668012681 471978416 /nfs/dbraw/zinc/97/84/16/471978416.db2.gz HZACQIGMPJAVMV-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000665287168 471990352 /nfs/dbraw/zinc/99/03/52/471990352.db2.gz DHMJAQLJLNCOCX-LBPRGKRZSA-N 2 0 338.521 2.401 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000665289386 471991015 /nfs/dbraw/zinc/99/10/15/471991015.db2.gz MVNPLVQVLKZVLL-IBGZPJMESA-N 2 0 348.466 2.252 10 0 EEAERP COc1ccc(C2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)cc1 ZINC000665293092 471993868 /nfs/dbraw/zinc/99/38/68/471993868.db2.gz RDGNKIVXDVBJRC-UHFFFAOYSA-N 2 0 342.443 2.466 10 0 EEAERP COCCC[N@H+](CCc1ccc(OC)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255788 472044792 /nfs/dbraw/zinc/04/47/92/472044792.db2.gz ROPBZRAEZBTHND-IBGZPJMESA-N 2 0 348.487 2.097 10 0 EEAERP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC1CCN(c2ccccn2)CC1 ZINC000662266167 472050402 /nfs/dbraw/zinc/05/04/02/472050402.db2.gz YRSWSEHXXYUFKQ-SFHVURJKSA-N 2 0 344.503 2.141 10 0 EEAERP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280333 472054436 /nfs/dbraw/zinc/05/44/36/472054436.db2.gz OBFXKAUIKMLMSO-CVEARBPZSA-N 2 0 326.444 2.022 10 0 EEAERP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000678769486 485496905 /nfs/dbraw/zinc/49/69/05/485496905.db2.gz FRHVPMPONUIELT-ZBFHGGJFSA-N 2 0 335.473 2.117 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N1CC[NH+](CC(C)C)CC1 ZINC000055082533 536468649 /nfs/dbraw/zinc/46/86/49/536468649.db2.gz WGZNXUGIYZJFFP-UHFFFAOYSA-N 2 0 341.297 2.342 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000416145599 529006966 /nfs/dbraw/zinc/00/69/66/529006966.db2.gz MAORXJBWVWBWRH-UHFFFAOYSA-N 2 0 329.488 2.378 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397961019 576122307 /nfs/dbraw/zinc/12/23/07/576122307.db2.gz FCIARASJPGMKSA-DFQSSKMNSA-N 2 0 331.504 2.207 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760484850 577663802 /nfs/dbraw/zinc/66/38/02/577663802.db2.gz SISOZKANIYNQDQ-GASCZTMLSA-N 2 0 326.554 2.055 10 0 EEAERP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261996876 682762980 /nfs/dbraw/zinc/76/29/80/682762980.db2.gz UBLQDKWKKBUMAE-ZGXWSNOMSA-N 2 0 348.487 2.254 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)(N2CCCCC2)CC1 ZINC000925512313 683884595 /nfs/dbraw/zinc/88/45/95/683884595.db2.gz BCOLARPWFDYVDM-MSOLQXFVSA-N 3 0 336.568 2.432 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([Si](C)(C)C)cc1 ZINC000788020800 687583974 /nfs/dbraw/zinc/58/39/74/687583974.db2.gz IJWXFDMWUSONKZ-UHFFFAOYSA-N 2 0 333.596 2.301 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cn2)CC1 ZINC000924628432 692909413 /nfs/dbraw/zinc/90/94/13/692909413.db2.gz VHUKPJPPOLRPMO-ALOPSCKCSA-N 2 0 332.517 2.350 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000924691723 693170072 /nfs/dbraw/zinc/17/00/72/693170072.db2.gz HEVLPERPJANTMK-FUHIMQAGSA-N 2 0 331.504 2.337 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2cnccc2C)C1)[NH+](CC)CC ZINC001485523921 1191825460 /nfs/dbraw/zinc/82/54/60/1191825460.db2.gz RFIXOYQARLMYLE-VQIMIIECSA-N 2 0 346.519 2.447 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](CCCCOC)CC1(C)C ZINC001485570180 1191839406 /nfs/dbraw/zinc/83/94/06/1191839406.db2.gz AUODSLYPNDHCTN-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001485614881 1191863021 /nfs/dbraw/zinc/86/30/21/1191863021.db2.gz SSICRGVAIBGNMO-OSYLJGHBSA-N 2 0 335.536 2.449 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001485687252 1191897683 /nfs/dbraw/zinc/89/76/83/1191897683.db2.gz XZTMHPXQXGCVDN-BRWVUGGUSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485793000 1191955390 /nfs/dbraw/zinc/95/53/90/1191955390.db2.gz UMGUQLSVCDEVDV-HUUCEWRRSA-N 2 0 338.521 2.024 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485814166 1191978277 /nfs/dbraw/zinc/97/82/77/1191978277.db2.gz RLWSFBUKWFLPIQ-ZWKOTPCHSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001266417765 1176510109 /nfs/dbraw/zinc/51/01/09/1176510109.db2.gz HBNBMWKGHISFFP-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(Cl)n1)C1CC1)[NH+](C)C ZINC001266439899 1176537979 /nfs/dbraw/zinc/53/79/79/1176537979.db2.gz ZEUSEIISFCVSQP-LSDHHAIUSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001266786737 1177427146 /nfs/dbraw/zinc/42/71/46/1177427146.db2.gz ONGHXXJRUZEEAT-YZGWKJHDSA-N 2 0 343.515 2.398 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266877854 1177687569 /nfs/dbraw/zinc/68/75/69/1177687569.db2.gz MSQMWVLMVXLVJP-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691277226 1177806401 /nfs/dbraw/zinc/80/64/01/1177806401.db2.gz TVFPHCHFBZODKH-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)Cc2ccccc2N(C)C)CC[N@@H+]1C ZINC001480903120 1177824288 /nfs/dbraw/zinc/82/42/88/1177824288.db2.gz NVMLMBXVYOYXNC-IRXDYDNUSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1CC[NH2+]CCCF ZINC001691297862 1177852038 /nfs/dbraw/zinc/85/20/38/1177852038.db2.gz MMJVCKLKUODFGF-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001266945038 1177863484 /nfs/dbraw/zinc/86/34/84/1177863484.db2.gz XJFYKXVWRVDXEP-KRWDZBQOSA-N 2 0 347.503 2.261 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC001267090645 1178218138 /nfs/dbraw/zinc/21/81/38/1178218138.db2.gz KBAXAZQNIMHGBQ-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267131651 1178302496 /nfs/dbraw/zinc/30/24/96/1178302496.db2.gz HNUJQDNFHODZOE-MRVWCRGKSA-N 2 0 347.850 2.246 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC001267173897 1178407170 /nfs/dbraw/zinc/40/71/70/1178407170.db2.gz DDUKMAQDVOWTGG-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1conc1C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267274339 1178656779 /nfs/dbraw/zinc/65/67/79/1178656779.db2.gz TYBCICCODQNUPI-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001267296792 1178704175 /nfs/dbraw/zinc/70/41/75/1178704175.db2.gz VNSLACLKMQYNKT-HNNXBMFYSA-N 2 0 344.459 2.287 10 0 EEAERP C[C@H]1C[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001267373446 1178886119 /nfs/dbraw/zinc/88/61/19/1178886119.db2.gz VXVFNESTVWLVHG-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001267387573 1178949135 /nfs/dbraw/zinc/94/91/35/1178949135.db2.gz QPBKHZNCXOQTFO-INIZCTEOSA-N 2 0 327.419 2.099 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2ccc(F)cc2F)CC1 ZINC001267444805 1179019625 /nfs/dbraw/zinc/01/96/25/1179019625.db2.gz PMXXSTBETMCWMK-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(OC)ccc1Cl)[NH+](C)C ZINC001267456542 1179040200 /nfs/dbraw/zinc/04/02/00/1179040200.db2.gz ASXUXNCPAKWVRK-MRXNPFEDSA-N 2 0 341.883 2.237 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267619569 1179966945 /nfs/dbraw/zinc/96/69/45/1179966945.db2.gz SSHBQERYXQKZOZ-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001481174925 1179989596 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ZINC001483371899 1190415740 /nfs/dbraw/zinc/41/57/40/1190415740.db2.gz XPXZTXHRTSADDN-MAUKXSAKSA-N 2 0 326.444 2.397 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001483571096 1190559876 /nfs/dbraw/zinc/55/98/76/1190559876.db2.gz OYZXIGOBJFANHC-COXDATCZSA-N 2 0 327.900 2.344 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001483587247 1190573719 /nfs/dbraw/zinc/57/37/19/1190573719.db2.gz BMVYDSXCTKGFFE-IFXJQAMLSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1[NH2+]CCOC ZINC001483616330 1190592256 /nfs/dbraw/zinc/59/22/56/1190592256.db2.gz RUAPHJMFCMMUCD-YJBOKZPZSA-N 2 0 344.459 2.119 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621348 1190604750 /nfs/dbraw/zinc/60/47/50/1190604750.db2.gz GXLNGCBDWCBONV-DOTOQJQBSA-N 2 0 336.480 2.040 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001409839752 1190671874 /nfs/dbraw/zinc/67/18/74/1190671874.db2.gz SXTYZSLPLYDWJO-ROUUACIJSA-N 2 0 332.492 2.331 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cncs2)[C@@H](CC)C1 ZINC001483626956 1190691632 /nfs/dbraw/zinc/69/16/32/1190691632.db2.gz TZEVLIMSHHQJEW-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001691637184 1190749329 /nfs/dbraw/zinc/74/93/29/1190749329.db2.gz UWXSWESXCFWDQW-QGZVFWFLSA-N 2 0 327.513 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C)nc2C)CC1 ZINC001483737782 1190868517 /nfs/dbraw/zinc/86/85/17/1190868517.db2.gz DUAMTPRHOGZOJQ-GOSISDBHSA-N 2 0 344.503 2.311 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001272652501 1190961723 /nfs/dbraw/zinc/96/17/23/1190961723.db2.gz LBKGVQNSPPXHRB-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP COCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3cnc[nH]3)C2)C1 ZINC001483832146 1191068636 /nfs/dbraw/zinc/06/86/36/1191068636.db2.gz CYMBWAXYLCDMBH-LJQANCHMSA-N 2 0 348.491 2.038 10 0 EEAERP COCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)cc1 ZINC001483907397 1191120031 /nfs/dbraw/zinc/12/00/31/1191120031.db2.gz BATIBAMVZBRFHN-LPHOPBHVSA-N 2 0 347.503 2.254 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001483909145 1191120476 /nfs/dbraw/zinc/12/04/76/1191120476.db2.gz QGRGURHHXVGJLS-VQIMIIECSA-N 2 0 347.503 2.020 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2cnc(C)o2)CC1 ZINC001483974386 1191137902 /nfs/dbraw/zinc/13/79/02/1191137902.db2.gz BGXSQJORHNZFCI-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484093890 1191207897 /nfs/dbraw/zinc/20/78/97/1191207897.db2.gz LRPOUCWGUPAQFT-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001484348187 1191313491 /nfs/dbraw/zinc/31/34/91/1191313491.db2.gz SSOJVPNNXVMLLX-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001484415022 1191341769 /nfs/dbraw/zinc/34/17/69/1191341769.db2.gz KYAVMEOSVFAHMY-HDICACEKSA-N 2 0 339.499 2.392 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]C[C@@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC001484528263 1191399473 /nfs/dbraw/zinc/39/94/73/1191399473.db2.gz YINQOHSSKFDBPP-MSOLQXFVSA-N 2 0 349.519 2.012 10 0 EEAERP CN(CCC[N@H+](C)CCCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001484765953 1191520818 /nfs/dbraw/zinc/52/08/18/1191520818.db2.gz YYHNOWGYPMEXTG-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP CC(C)CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001484868164 1191561182 /nfs/dbraw/zinc/56/11/82/1191561182.db2.gz BXDJWLKCGGGWGU-QGZVFWFLSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001484897684 1191568168 /nfs/dbraw/zinc/56/81/68/1191568168.db2.gz PPTYDMVXBRAJLD-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP CCOCCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001484906595 1191570318 /nfs/dbraw/zinc/57/03/18/1191570318.db2.gz MBZWTQXXLANBLA-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485054722 1191633609 /nfs/dbraw/zinc/63/36/09/1191633609.db2.gz FUSZLGXAUMYWKW-ZWKOTPCHSA-N 2 0 339.524 2.207 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)C1 ZINC001485107134 1191656652 /nfs/dbraw/zinc/65/66/52/1191656652.db2.gz GRFNLWZPDBSBIV-HJOIGYKYSA-N 2 0 347.478 2.194 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001485110139 1191657351 /nfs/dbraw/zinc/65/73/51/1191657351.db2.gz WGPZMEYGGMHCRE-MOKVOYLWSA-N 2 0 348.318 2.151 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001485187251 1191684904 /nfs/dbraw/zinc/68/49/04/1191684904.db2.gz CFOKQNRUHBNRDH-GJZGRUSLSA-N 2 0 344.459 2.276 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001485208129 1191693985 /nfs/dbraw/zinc/69/39/85/1191693985.db2.gz OPRNLJLQQIRQAD-CHWSQXEVSA-N 2 0 341.883 2.370 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CCc2ccns2)CCCCC1 ZINC001485454635 1191791203 /nfs/dbraw/zinc/79/12/03/1191791203.db2.gz GJESCARCUTUCAO-UHFFFAOYSA-N 2 0 338.521 2.046 10 0 EEAERP Cc1ncccc1C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001485455378 1191791516 /nfs/dbraw/zinc/79/15/16/1191791516.db2.gz UTUHHNDESSDCMH-UHFFFAOYSA-N 2 0 332.492 2.250 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cc(C)no1)CC2 ZINC001486159689 1193705933 /nfs/dbraw/zinc/70/59/33/1193705933.db2.gz JLVHPUPGDGFLGX-PKOBYXMFSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001486211151 1193751212 /nfs/dbraw/zinc/75/12/12/1193751212.db2.gz SXQBQIWSWKLJLD-NVXWUHKLSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001486211153 1193751768 /nfs/dbraw/zinc/75/17/68/1193751768.db2.gz SXQBQIWSWKLJLD-RDJZCZTQSA-N 2 0 335.467 2.460 10 0 EEAERP C[N@H+](CCC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1)C1CCCCC1 ZINC001486239221 1193766298 /nfs/dbraw/zinc/76/62/98/1193766298.db2.gz YWBOYLGTGJCAAJ-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1conc1C[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001486484569 1193998501 /nfs/dbraw/zinc/99/85/01/1193998501.db2.gz IXQZNQDKOLMQRU-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272956884 1194267393 /nfs/dbraw/zinc/26/73/93/1194267393.db2.gz ZBSJJBFSNICWHW-CJNGLKHVSA-N 2 0 336.480 2.014 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001273205218 1197531543 /nfs/dbraw/zinc/53/15/43/1197531543.db2.gz WLMQYHDJBJGSOR-CYBMUJFWSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]3C2)c1 ZINC001410179799 1197589011 /nfs/dbraw/zinc/58/90/11/1197589011.db2.gz HXUYQLFZYLGIFW-IPMKNSEASA-N 2 0 344.503 2.058 10 0 EEAERP Cc1cc(C[NH2+][C@H](CCNC(=O)C23CCC[NH+]2CCC3)C(C)C)no1 ZINC001410255215 1197638786 /nfs/dbraw/zinc/63/87/86/1197638786.db2.gz KXDZFOJMZMJMIW-QGZVFWFLSA-N 2 0 348.491 2.232 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871674157 1197825815 /nfs/dbraw/zinc/82/58/15/1197825815.db2.gz SQZQULAFZCTEDE-OCCSQVGLSA-N 2 0 344.381 2.349 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001410457161 1197933379 /nfs/dbraw/zinc/93/33/79/1197933379.db2.gz SSMLXJGHIQTZKY-CRAIPNDOSA-N 2 0 329.488 2.452 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000865251540 1198141415 /nfs/dbraw/zinc/14/14/15/1198141415.db2.gz ZKNPPXAGNUGFHO-UHFFFAOYSA-N 2 0 328.570 2.255 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cc(Cl)nc(C3CC3)n2)C[C@H]1C[NH+](C)C ZINC000866011233 1198453422 /nfs/dbraw/zinc/45/34/22/1198453422.db2.gz ASQOHUKFXDIESZ-ZIAGYGMSSA-N 2 0 337.899 2.183 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC001410849909 1198500362 /nfs/dbraw/zinc/50/03/62/1198500362.db2.gz LNSRZOFYTRYXMY-NVXWUHKLSA-N 2 0 349.523 2.057 10 0 EEAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]C/C=C\Cl ZINC001411027879 1198707621 /nfs/dbraw/zinc/70/76/21/1198707621.db2.gz VQOQAARRYBVPKS-DDJMYBDESA-N 2 0 327.900 2.442 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001411075251 1198757691 /nfs/dbraw/zinc/75/76/91/1198757691.db2.gz DEPICSHYKBTYGL-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C)c1 ZINC001411224691 1198935106 /nfs/dbraw/zinc/93/51/06/1198935106.db2.gz PKTVRTXGCDWYRX-YJBOKZPZSA-N 2 0 346.519 2.352 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810194520 1199347570 /nfs/dbraw/zinc/34/75/70/1199347570.db2.gz DJVYGKGQSKYDLR-RKVPGOIHSA-N 2 0 327.488 2.436 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000869765345 1200264977 /nfs/dbraw/zinc/26/49/77/1200264977.db2.gz JNBOMOOMQFBPDF-IXDOHACOSA-N 2 0 339.524 2.065 10 0 EEAERP CSc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)o1 ZINC000870017552 1200409407 /nfs/dbraw/zinc/40/94/07/1200409407.db2.gz NIIMEQIKYBHXHE-ZIAGYGMSSA-N 2 0 339.505 2.121 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)C[C@H]1C[NH+](C)C ZINC000870023781 1200413220 /nfs/dbraw/zinc/41/32/20/1200413220.db2.gz MXNHCYMLEYZERE-QZTJIDSGSA-N 2 0 343.515 2.306 10 0 EEAERP C[NH+](C)C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870852293 1200910797 /nfs/dbraw/zinc/91/07/97/1200910797.db2.gz CAAMLKAYWGXSGM-AWEZNQCLSA-N 2 0 340.265 2.002 10 0 EEAERP [NH3+]CCC1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870951074 1200973417 /nfs/dbraw/zinc/97/34/17/1200973417.db2.gz VXBYCTUJOCJALF-CQSZACIVSA-N 2 0 340.265 2.036 10 0 EEAERP CC1(C)[C@H](O)CC[NH+]1Cc1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1 ZINC000812868104 1200974316 /nfs/dbraw/zinc/97/43/16/1200974316.db2.gz HCJHGGUNOASKMC-QZTJIDSGSA-N 2 0 332.488 2.377 10 0 EEAERP CC(C)c1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866712036 1201586976 /nfs/dbraw/zinc/58/69/76/1201586976.db2.gz QAUZPNPBARZOQD-KURKYZTESA-N 2 0 329.444 2.177 10 0 EEAERP CC[NH+]1CCC(CNC(=O)NC[C@@H]2c3ccccc3CN2C)CC1 ZINC000868365263 1201799854 /nfs/dbraw/zinc/79/98/54/1201799854.db2.gz YKOVTXHOWKURSV-GOSISDBHSA-N 2 0 330.476 2.204 10 0 EEAERP CC[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000882393749 1201865183 /nfs/dbraw/zinc/86/51/83/1201865183.db2.gz GEQVHNLXEOTMPN-MSOLQXFVSA-N 2 0 330.476 2.250 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000887095188 1204200495 /nfs/dbraw/zinc/20/04/95/1204200495.db2.gz ASKRNVKTJOVBCI-UHFFFAOYSA-N 2 0 347.503 2.306 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001274028036 1204333537 /nfs/dbraw/zinc/33/35/37/1204333537.db2.gz ZHXCJWXRZUJKJR-WRFKIARRSA-N 2 0 330.476 2.025 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)cn1 ZINC001274120322 1204384808 /nfs/dbraw/zinc/38/48/08/1204384808.db2.gz YVCPMGXYDBKUII-PLNGDYQASA-N 2 0 340.418 2.234 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001274367666 1205011537 /nfs/dbraw/zinc/01/15/37/1205011537.db2.gz DNMSINXQGUASBT-REUDQUMMSA-N 2 0 343.462 2.416 10 0 EEAERP CCCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001274863392 1205191524 /nfs/dbraw/zinc/19/15/24/1205191524.db2.gz VOJUBKTZLUHTIK-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001275517167 1205392617 /nfs/dbraw/zinc/39/26/17/1205392617.db2.gz UBBCYDONWZEVKE-CVEARBPZSA-N 2 0 347.507 2.042 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001279194998 1205458135 /nfs/dbraw/zinc/45/81/35/1205458135.db2.gz VJOVZAIXXXLVPB-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316870143 1205553297 /nfs/dbraw/zinc/55/32/97/1205553297.db2.gz NBWQRVPOSPNJER-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001412378465 1205708630 /nfs/dbraw/zinc/70/86/30/1205708630.db2.gz LXXCJWVRINLNHI-MRXNPFEDSA-N 2 0 342.418 2.297 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)cn2)CC1 ZINC000924624298 1206006237 /nfs/dbraw/zinc/00/62/37/1206006237.db2.gz ASJCDTOILJDODY-HXUWFJFHSA-N 2 0 344.503 2.128 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924658948 1206013140 /nfs/dbraw/zinc/01/31/40/1206013140.db2.gz JCXFKWOPIPAVTL-KRWDZBQOSA-N 2 0 333.524 2.288 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924807826 1206034499 /nfs/dbraw/zinc/03/44/99/1206034499.db2.gz OIOOQCRTOAULHY-MOPGFXCFSA-N 2 0 344.503 2.128 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925501840 1206120565 /nfs/dbraw/zinc/12/05/65/1206120565.db2.gz DXMFLUPOPGTKSF-VAMGGRTRSA-N 2 0 348.487 2.495 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C12CCC2 ZINC000925565720 1206129229 /nfs/dbraw/zinc/12/92/29/1206129229.db2.gz WXSJQOFLLUGQDH-ZWKOTPCHSA-N 2 0 344.455 2.323 10 0 EEAERP CNC(=O)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925667258 1206142085 /nfs/dbraw/zinc/14/20/85/1206142085.db2.gz BQUNFXFREYLFBV-RTBURBONSA-N 2 0 345.487 2.069 10 0 EEAERP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)c2)nn1 ZINC000925722372 1206146447 /nfs/dbraw/zinc/14/64/47/1206146447.db2.gz LKUVUMUSYMNLJO-GVDBMIGSSA-N 2 0 341.459 2.021 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1sccc1Br ZINC000925762793 1206151830 /nfs/dbraw/zinc/15/18/30/1206151830.db2.gz OIORPXBJNMYHKP-HOSYDEDBSA-N 2 0 333.295 2.395 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925811860 1206156584 /nfs/dbraw/zinc/15/65/84/1206156584.db2.gz SUQRAXXTGKZDSV-CQSZACIVSA-N 2 0 345.491 2.044 10 0 EEAERP CCO[C@H](CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925838621 1206158702 /nfs/dbraw/zinc/15/87/02/1206158702.db2.gz MQINPVJZNUJFNV-QYZOEREBSA-N 2 0 335.492 2.045 10 0 EEAERP COc1cccc2c1CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C2 ZINC000925847662 1206160159 /nfs/dbraw/zinc/16/01/59/1206160159.db2.gz SZKBRTRWYIKEKC-SFHVURJKSA-N 2 0 331.504 2.218 10 0 EEAERP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858960 1206162136 /nfs/dbraw/zinc/16/21/36/1206162136.db2.gz XBEMKEGQEXAHIB-LSDHHAIUSA-N 2 0 332.444 2.421 10 0 EEAERP CN1CCOC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926759587 1206241566 /nfs/dbraw/zinc/24/15/66/1206241566.db2.gz HDJRNVUWALQVIC-OTYNDTSQSA-N 2 0 343.515 2.492 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)C1CCCCC1 ZINC000928089828 1206339201 /nfs/dbraw/zinc/33/92/01/1206339201.db2.gz LDDBZEZKUOBYRJ-IRXDYDNUSA-N 2 0 339.549 2.337 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1cccnc1 ZINC000928827687 1206424927 /nfs/dbraw/zinc/42/49/27/1206424927.db2.gz DHYKWMLAUDITIR-BZSNNMDCSA-N 2 0 330.476 2.208 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)c1cccnc1 ZINC000928832013 1206425677 /nfs/dbraw/zinc/42/56/77/1206425677.db2.gz SKYDGJPYSZMMAD-QGZVFWFLSA-N 2 0 330.476 2.067 10 0 EEAERP C[N@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461138 1206559849 /nfs/dbraw/zinc/55/98/49/1206559849.db2.gz UVDZHLPRDDHSFL-LMWLFIIJSA-N 2 0 332.488 2.418 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)nnc3C)CC2)CC1 ZINC000930751067 1206580053 /nfs/dbraw/zinc/58/00/53/1206580053.db2.gz KZBNVDKSCSWFFG-UHFFFAOYSA-N 2 0 331.508 2.085 10 0 EEAERP C[C@]12CN(CCN3CCCC3=O)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215425 1206616584 /nfs/dbraw/zinc/61/65/84/1206616584.db2.gz XJRPQNCLPUSRTM-NHCUHLMSSA-N 2 0 341.499 2.453 10 0 EEAERP O[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1(O)CCCC1 ZINC000931746805 1207455123 /nfs/dbraw/zinc/45/51/23/1207455123.db2.gz HZAWGJGXRLLETR-ZCNNSNEGSA-N 2 0 344.499 2.106 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@]2(C)C1 ZINC000933731501 1207828590 /nfs/dbraw/zinc/82/85/90/1207828590.db2.gz BGRPBEMFRFIUOS-NJYVYQBISA-N 2 0 343.515 2.161 10 0 EEAERP CN1C[C@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1=O ZINC000723534418 1230590464 /nfs/dbraw/zinc/59/04/64/1230590464.db2.gz ACBOHKJEVDQAOQ-FYQPLNBISA-N 2 0 341.499 2.498 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724656031 1230676192 /nfs/dbraw/zinc/67/61/92/1230676192.db2.gz KMZQOJMVTJLJBK-PKOFMYQESA-N 2 0 330.472 2.291 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903491087 1240647462 /nfs/dbraw/zinc/64/74/62/1240647462.db2.gz UVUGAYYVFQWIFC-SOUVJXGZSA-N 2 0 346.368 2.284 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1CC[NH3+] ZINC000903496481 1240672385 /nfs/dbraw/zinc/67/23/85/1240672385.db2.gz PEIKIUDVXHAGTB-CHWSQXEVSA-N 2 0 341.858 2.354 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903564964 1240956970 /nfs/dbraw/zinc/95/69/70/1240956970.db2.gz ALHFNRBPXFVNGZ-BZSNNMDCSA-N 2 0 345.512 2.329 10 0 EEAERP c1ccc(CCOCCC[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903816630 1242065709 /nfs/dbraw/zinc/06/57/09/1242065709.db2.gz YDQHCVXODXGVOO-UHFFFAOYSA-N 2 0 332.488 2.480 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCCOc2ccc(F)cc2)cnn1C ZINC000903886720 1242327300 /nfs/dbraw/zinc/32/73/00/1242327300.db2.gz VERJSJDTJKQXST-MRXNPFEDSA-N 2 0 348.466 2.386 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892545 1242359470 /nfs/dbraw/zinc/35/94/70/1242359470.db2.gz JOMGSAYUELRTPK-WMLDXEAASA-N 2 0 330.476 2.115 10 0 EEAERP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898861 1242395021 /nfs/dbraw/zinc/39/50/21/1242395021.db2.gz OSSNXUZLGRSWFZ-CGTJXYLNSA-N 2 0 336.524 2.371 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])CN(C)C(C)(C)C[NH+]2CCCCCC2)cnn1C ZINC000903909593 1242437031 /nfs/dbraw/zinc/43/70/31/1242437031.db2.gz GCRYEVPNAMKINN-SFHVURJKSA-N 2 0 349.567 2.432 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@H](c2cccnc2)C(C)C)cnn1C ZINC000903922739 1242514397 /nfs/dbraw/zinc/51/43/97/1242514397.db2.gz DDULNCGVAJJUPX-APWZRJJASA-N 2 0 329.492 2.270 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](Cc2ccc(C)nc2)CC2CC2)cnn1C ZINC000903932265 1242553317 /nfs/dbraw/zinc/55/33/17/1242553317.db2.gz PZGCRTMZIQEWEL-IBGZPJMESA-N 2 0 341.503 2.462 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935917 1242573073 /nfs/dbraw/zinc/57/30/73/1242573073.db2.gz VZGWSVHOEHRDEJ-FTNCPSPGSA-N 2 0 340.265 2.473 10 0 EEAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000903973398 1242807252 /nfs/dbraw/zinc/80/72/52/1242807252.db2.gz CEORLNRDTUMWRE-RBSFLKMASA-N 2 0 349.475 2.256 10 0 EEAERP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974230 1242813213 /nfs/dbraw/zinc/81/32/13/1242813213.db2.gz MOZWFEJEUUOXRD-ZYHUDNBSSA-N 2 0 334.386 2.005 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000903977551 1242829039 /nfs/dbraw/zinc/82/90/39/1242829039.db2.gz SVSIKKYYANYZMN-YRNRMSPPSA-N 2 0 344.455 2.112 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001491086140 1258650659 /nfs/dbraw/zinc/65/06/59/1258650659.db2.gz UXNGZXDQWSXBTH-KDURUIRLSA-N 2 0 344.503 2.393 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001491180360 1258752638 /nfs/dbraw/zinc/75/26/38/1258752638.db2.gz RRSIDMARSJFONC-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CCF)CCCCC1 ZINC001491258036 1258855907 /nfs/dbraw/zinc/85/59/07/1258855907.db2.gz HJMZPVXQHCZNSH-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H](NC(=O)Cc1cncn1C)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001491294119 1258919722 /nfs/dbraw/zinc/91/97/22/1258919722.db2.gz BCCWCMMLLJTCSJ-GDBMZVCRSA-N 2 0 346.500 2.441 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001491315578 1258943624 /nfs/dbraw/zinc/94/36/24/1258943624.db2.gz UIBATOSBWRCPJG-IQRFUGTFSA-N 2 0 347.478 2.474 10 0 EEAERP CCOCC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001491365925 1259006950 /nfs/dbraw/zinc/00/69/50/1259006950.db2.gz KJKCSZBWHQIHHC-UHFFFAOYSA-N 2 0 347.503 2.415 10 0 EEAERP C[C@H]([NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1)c1cnccn1 ZINC001491371174 1259012394 /nfs/dbraw/zinc/01/23/94/1259012394.db2.gz ORPLWSQONXGRBA-GTPINHCMSA-N 2 0 347.507 2.287 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001273689621 1283404309 /nfs/dbraw/zinc/40/43/09/1283404309.db2.gz YRMYYHSBZSFLDN-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc2ccccc2o1 ZINC001273910074 1289776092 /nfs/dbraw/zinc/77/60/92/1289776092.db2.gz MGUFYVDKCFKFIB-BDUNBXCCSA-N 2 0 327.428 2.289 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001489276946 1290502080 /nfs/dbraw/zinc/50/20/80/1290502080.db2.gz XJRCNWAXTJCEAM-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCCc1cccc(F)c1 ZINC001490163656 1290990684 /nfs/dbraw/zinc/99/06/84/1290990684.db2.gz CGXPRIDJUTZBQA-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1cccnc1 ZINC001490208298 1291001526 /nfs/dbraw/zinc/00/15/26/1291001526.db2.gz UBPQCRBXZJPBRS-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP CC1CC(C[N@H+](CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)C1 ZINC001490372108 1291257419 /nfs/dbraw/zinc/25/74/19/1291257419.db2.gz JRCGOGQFBQIKHU-RJYAGPCLSA-N 2 0 333.520 2.345 10 0 EEAERP Cc1oncc1C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001490383043 1291267434 /nfs/dbraw/zinc/26/74/34/1291267434.db2.gz MDTIWCVAHVWREZ-HOCLYGCPSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1cncc(C[NH+](CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001490385144 1291270700 /nfs/dbraw/zinc/27/07/00/1291270700.db2.gz GWZJZHGAOHNLLI-INIZCTEOSA-N 2 0 344.503 2.203 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001490699282 1291631324 /nfs/dbraw/zinc/63/13/24/1291631324.db2.gz DBYNQHOWETUCJE-IBGZPJMESA-N 2 0 329.488 2.111 10 0 EEAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544534 1296327420 /nfs/dbraw/zinc/32/74/20/1296327420.db2.gz WWFZKZRLHMBQKM-VPWXQRGCSA-N 2 0 342.439 2.484 10 0 EEAERP [NH3+]C1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCOCC1 ZINC000863542752 1296327761 /nfs/dbraw/zinc/32/77/61/1296327761.db2.gz YVPKUQRTTDETII-INIZCTEOSA-N 2 0 347.459 2.137 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000864552275 1296585199 /nfs/dbraw/zinc/58/51/99/1296585199.db2.gz MBRXQBHUKNJLBV-ZWKOTPCHSA-N 2 0 330.476 2.107 10 0 EEAERP C[NH+]1C[C@]2(C)CN(CCC(=O)N3CCOc4ccccc43)C[C@@]2(C)C1 ZINC000931315087 1297130678 /nfs/dbraw/zinc/13/06/78/1297130678.db2.gz UEOCNESDKVDBCQ-WOJBJXKFSA-N 2 0 343.471 2.076 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001491124848 1299610183 /nfs/dbraw/zinc/61/01/83/1299610183.db2.gz BQPSSNXOIKVCSI-ROUUACIJSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CN(C)CCO2)c(C)c1 ZINC001277157426 1301568958 /nfs/dbraw/zinc/56/89/58/1301568958.db2.gz YYEHPOSSPUIWRF-PKOBYXMFSA-N 2 0 347.503 2.009 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(F)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001277355111 1302606888 /nfs/dbraw/zinc/60/68/88/1302606888.db2.gz AHBCLGDFSOQIKN-CQSZACIVSA-N 2 0 339.430 2.435 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277770402 1304378179 /nfs/dbraw/zinc/37/81/79/1304378179.db2.gz CQMZYLFKAOZNBX-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](NCC(F)(F)C(F)F)C[C@@H]1C ZINC001277777981 1304395289 /nfs/dbraw/zinc/39/52/89/1304395289.db2.gz YOCXITYEJGFIEX-RYUDHWBXSA-N 2 0 341.393 2.198 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001277907048 1305049259 /nfs/dbraw/zinc/04/92/59/1305049259.db2.gz IMGSYIHORNQGGT-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001278302090 1309179128 /nfs/dbraw/zinc/17/91/28/1309179128.db2.gz TWNZIVYTUPSOSL-APWZRJJASA-N 2 0 347.503 2.020 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N(CC[NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000841850078 1315623367 /nfs/dbraw/zinc/62/33/67/1315623367.db2.gz WSIVHMNDNGXXCT-INIZCTEOSA-N 2 0 346.862 2.421 10 0 EEAERP [NH3+]CCc1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000841924900 1315638524 /nfs/dbraw/zinc/63/85/24/1315638524.db2.gz HWRXYGFQLSYILC-UHFFFAOYSA-N 2 0 344.503 2.205 10 0 EEAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000843071717 1315835039 /nfs/dbraw/zinc/83/50/39/1315835039.db2.gz CIFDGZZVDASFQT-PBHICJAKSA-N 2 0 326.868 2.200 10 0 EEAERP CC[NH2+]CC(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000843496041 1315924086 /nfs/dbraw/zinc/92/40/86/1315924086.db2.gz SYVYJHFZDPEDFV-NVXWUHKLSA-N 2 0 325.403 2.214 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CC[NH2+]CCCF ZINC001263956998 1322569277 /nfs/dbraw/zinc/56/92/77/1322569277.db2.gz YVCOUXNFAUUVHZ-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)on1 ZINC001264518490 1322722786 /nfs/dbraw/zinc/72/27/86/1322722786.db2.gz SPJUKYJPBVJPRS-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1F)[NH+](C)C ZINC001265061094 1322899230 /nfs/dbraw/zinc/89/92/30/1322899230.db2.gz CHUNFAXGEIKXAU-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCCN(C)Cc1cc(O)ccc1Cl ZINC001265073238 1322908084 /nfs/dbraw/zinc/90/80/84/1322908084.db2.gz UTWIJSPWADGBOU-UHFFFAOYSA-N 2 0 341.883 2.324 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCCF)C1)[NH+]1CCCC1 ZINC001265319715 1323067017 /nfs/dbraw/zinc/06/70/17/1323067017.db2.gz QEQGCFZQSBPOHQ-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265623856 1323275227 /nfs/dbraw/zinc/27/52/27/1323275227.db2.gz FZIANHFVCDMTET-CRAIPNDOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001265823846 1323403235 /nfs/dbraw/zinc/40/32/35/1323403235.db2.gz NDHUPAHYYVDFNE-CYBMUJFWSA-N 2 0 340.899 2.307 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2ccc(Cl)nc2)CCC1 ZINC001265863288 1323437706 /nfs/dbraw/zinc/43/77/06/1323437706.db2.gz ZGLHKTVLDDIAGC-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001265866262 1323440233 /nfs/dbraw/zinc/44/02/33/1323440233.db2.gz MSPIKUIYNUHBHW-IAGOWNOFSA-N 2 0 326.444 2.460 10 0 EEAERP Cc1cncc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001265902744 1323472043 /nfs/dbraw/zinc/47/20/43/1323472043.db2.gz UQCHJPITETWOLB-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001266026733 1323577317 /nfs/dbraw/zinc/57/73/17/1323577317.db2.gz QWMDGGGWDDKWFV-KWEPMOPPSA-N 2 0 329.488 2.480 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001266029432 1323579959 /nfs/dbraw/zinc/57/99/59/1323579959.db2.gz QJNLKSOXADJQQC-GFXOSMMKSA-N 2 0 339.911 2.299 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cnccn1 ZINC001266042688 1323593002 /nfs/dbraw/zinc/59/30/02/1323593002.db2.gz LPRQRWSHVXMWAN-FUHWJXTLSA-N 2 0 347.507 2.239 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1nocc1C)[NH+](C)C ZINC001266241474 1323829204 /nfs/dbraw/zinc/82/92/04/1323829204.db2.gz OXCDQPTWCDAGJM-RDJZCZTQSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1c(C(=O)N(C)C2CC([NH2+]CCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001279250275 1323857267 /nfs/dbraw/zinc/85/72/67/1323857267.db2.gz UETINGZBBPWCCB-UHFFFAOYSA-N 2 0 344.459 2.260 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001279628735 1323966065 /nfs/dbraw/zinc/96/60/65/1323966065.db2.gz MTNKFDRMGGGWIG-UHFFFAOYSA-N 2 0 340.471 2.368 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001280367575 1324179912 /nfs/dbraw/zinc/17/99/12/1324179912.db2.gz KMPMQPDDJKXOBW-ULQDDVLXSA-N 2 0 327.488 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001282927903 1325838877 /nfs/dbraw/zinc/83/88/77/1325838877.db2.gz IKIPQWHZQXEVGH-AEFFLSMTSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nccs1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001283213525 1325957532 /nfs/dbraw/zinc/95/75/32/1325957532.db2.gz DTZXLARAZAHHCQ-CQSZACIVSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001283901205 1326309957 /nfs/dbraw/zinc/30/99/57/1326309957.db2.gz ZUXZEGIMPUDTSW-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(C)nc1 ZINC001584323968 1348729619 /nfs/dbraw/zinc/72/96/19/1348729619.db2.gz DUJMABGPXWOEPO-GDWUOILNSA-N 2 0 344.503 2.278 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001491791526 1330257036 /nfs/dbraw/zinc/25/70/36/1330257036.db2.gz OCENOAXVPSZQOW-VQTJNVASSA-N 2 0 343.515 2.324 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001491791523 1330257188 /nfs/dbraw/zinc/25/71/88/1330257188.db2.gz OCENOAXVPSZQOW-UXHICEINSA-N 2 0 343.515 2.324 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491819484 1330263242 /nfs/dbraw/zinc/26/32/42/1330263242.db2.gz GXXRSHOGLYMYIL-INIZCTEOSA-N 2 0 339.443 2.285 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)sc1C ZINC001492082653 1330990915 /nfs/dbraw/zinc/99/09/15/1330990915.db2.gz FNEUMQZLUMBWEL-QWHCGFSZSA-N 2 0 338.521 2.086 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001492175845 1331053798 /nfs/dbraw/zinc/05/37/98/1331053798.db2.gz MILYTRZSIZONPV-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)CC2CCOCC2)ccc2c[nH+]cn21 ZINC001316832443 1331357370 /nfs/dbraw/zinc/35/73/70/1331357370.db2.gz GABHMXNAYPMIHB-UHFFFAOYSA-N 2 0 344.459 2.121 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cc(C2CC2)no1 ZINC001316825519 1331916225 /nfs/dbraw/zinc/91/62/25/1331916225.db2.gz RXJRHPBMZSEFQS-GOSISDBHSA-N 2 0 348.491 2.363 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001316836238 1331923505 /nfs/dbraw/zinc/92/35/05/1331923505.db2.gz VDENYBAUUZGZPY-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)C[NH+]2CC[C@H](C)C2)cc1C ZINC001316851063 1331934712 /nfs/dbraw/zinc/93/47/12/1331934712.db2.gz PFKVUOAFFCGNFF-INIZCTEOSA-N 2 0 347.503 2.284 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCOCC)CC1 ZINC001317007509 1332042225 /nfs/dbraw/zinc/04/22/25/1332042225.db2.gz VJUCUMCNDXHGQS-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCCCOC)CC1 ZINC001317221365 1332142376 /nfs/dbraw/zinc/14/23/76/1332142376.db2.gz HFWYNHVGJHHLBG-ABHNRTSZSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317242170 1332149310 /nfs/dbraw/zinc/14/93/10/1332149310.db2.gz PTRFWMJNWMEQAU-RCCFBDPRSA-N 2 0 347.503 2.117 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOc2cc(C)ccc2C)C1)[NH+](C)C ZINC001317301194 1332170379 /nfs/dbraw/zinc/17/03/79/1332170379.db2.gz CNEDGPPPQRZTDQ-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001317427125 1332230912 /nfs/dbraw/zinc/23/09/12/1332230912.db2.gz JXJVMEQFRWQDIH-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1ccccc1OCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317450650 1332247576 /nfs/dbraw/zinc/24/75/76/1332247576.db2.gz GMFOMZDHFDAVBI-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001317587067 1332310725 /nfs/dbraw/zinc/31/07/25/1332310725.db2.gz DSQAVHALRLJSTH-QGZVFWFLSA-N 2 0 333.451 2.024 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1Cl ZINC001317649333 1332348381 /nfs/dbraw/zinc/34/83/81/1332348381.db2.gz IBIJJXYIWCBGLG-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC001317665080 1332359213 /nfs/dbraw/zinc/35/92/13/1332359213.db2.gz NVUYTPQFNSYRBS-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCCCOC)C1 ZINC001318446653 1332539360 /nfs/dbraw/zinc/53/93/60/1332539360.db2.gz WSHMMHOCCJDMQL-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cnccc2C)CC1 ZINC001318926699 1332625092 /nfs/dbraw/zinc/62/50/92/1332625092.db2.gz XUJPYESFAACSJA-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001319394052 1332694101 /nfs/dbraw/zinc/69/41/01/1332694101.db2.gz ANQAZODLUMRDQV-INIZCTEOSA-N 2 0 325.472 2.145 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001319775653 1332764916 /nfs/dbraw/zinc/76/49/16/1332764916.db2.gz XBYPKKHGKYZBLD-MRXNPFEDSA-N 2 0 348.491 2.365 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319789691 1332768327 /nfs/dbraw/zinc/76/83/27/1332768327.db2.gz AGPUTEBHRKKVJF-DOTOQJQBSA-N 2 0 348.491 2.050 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320527899 1332903623 /nfs/dbraw/zinc/90/36/23/1332903623.db2.gz DCZNPGAFEUXMLY-QAPCUYQASA-N 2 0 348.491 2.456 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C)s1 ZINC001320644298 1332927662 /nfs/dbraw/zinc/92/76/62/1332927662.db2.gz KIFLSHSRPOQTIW-LBPRGKRZSA-N 2 0 326.510 2.085 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320734328 1332942462 /nfs/dbraw/zinc/94/24/62/1332942462.db2.gz HOYXZNWVNGYDJW-KRWDZBQOSA-N 2 0 336.455 2.032 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320737720 1332943374 /nfs/dbraw/zinc/94/33/74/1332943374.db2.gz MNAZLXGJHASXMX-GOEBONIOSA-N 2 0 343.462 2.202 10 0 EEAERP CCN(CC[NH2+]C[C@@H](OC)c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320769340 1332949339 /nfs/dbraw/zinc/94/93/39/1332949339.db2.gz IKLRBRYLXBDVII-RTBURBONSA-N 2 0 347.503 2.297 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC001321253888 1333056534 /nfs/dbraw/zinc/05/65/34/1333056534.db2.gz YCZLHJQDBGHZTI-VOFKWLDRSA-N 2 0 340.471 2.337 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001321337187 1333077830 /nfs/dbraw/zinc/07/78/30/1333077830.db2.gz OXCWJSZTIWDHEW-DJAVDHGHSA-N 2 0 348.491 2.174 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001321567622 1333125682 /nfs/dbraw/zinc/12/56/82/1333125682.db2.gz JXZLDSJTHXKCKU-QGZVFWFLSA-N 2 0 329.488 2.260 10 0 EEAERP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001322569389 1333285199 /nfs/dbraw/zinc/28/51/99/1333285199.db2.gz KEHOGDRTCQGKGI-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001325001784 1333805320 /nfs/dbraw/zinc/80/53/20/1333805320.db2.gz FLJYGSOJULZYSI-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001326409029 1334087067 /nfs/dbraw/zinc/08/70/67/1334087067.db2.gz PZBRBIRBDYKXTM-DLBZAZTESA-N 2 0 330.476 2.203 10 0 EEAERP Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])ccc1N1CC[NH+](C)CC1 ZINC001326409033 1334087192 /nfs/dbraw/zinc/08/71/92/1334087192.db2.gz PZBRBIRBDYKXTM-IRXDYDNUSA-N 2 0 330.476 2.203 10 0 EEAERP COCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001326478383 1334100906 /nfs/dbraw/zinc/10/09/06/1334100906.db2.gz BEMHZXDZRBFLCF-FCEWJHQRSA-N 2 0 347.503 2.330 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC001326816220 1334163784 /nfs/dbraw/zinc/16/37/84/1334163784.db2.gz FWBYRIDYGHNGAM-ZFWWWQNUSA-N 2 0 338.883 2.281 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC001326816219 1334163931 /nfs/dbraw/zinc/16/39/31/1334163931.db2.gz FWBYRIDYGHNGAM-UKRRQHHQSA-N 2 0 338.883 2.281 10 0 EEAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001327172964 1334240305 /nfs/dbraw/zinc/24/03/05/1334240305.db2.gz MFALXEKDUNYLEQ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001327566804 1334316077 /nfs/dbraw/zinc/31/60/77/1334316077.db2.gz XPIASLZQJCQTNU-HNNXBMFYSA-N 2 0 327.432 2.006 10 0 EEAERP CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC=C(C)C)CC1)[NH+](CC)CC ZINC001328199357 1334413727 /nfs/dbraw/zinc/41/37/27/1334413727.db2.gz VVZXZBPJJWWPQQ-QGZVFWFLSA-N 2 0 339.524 2.016 10 0 EEAERP CCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001330160310 1334789746 /nfs/dbraw/zinc/78/97/46/1334789746.db2.gz MVAOWXPHMCHMAK-LJQANCHMSA-N 2 0 339.524 2.212 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccncc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330883676 1334920755 /nfs/dbraw/zinc/92/07/55/1334920755.db2.gz QPQIYBXSVHLISS-CZUORRHYSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nccs1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330946872 1334932835 /nfs/dbraw/zinc/93/28/35/1334932835.db2.gz NVKRVLNDDHTCIH-HNNXBMFYSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)ccc1N1CC[NH+](C)CC1 ZINC001332498933 1335835430 /nfs/dbraw/zinc/83/54/30/1335835430.db2.gz CRTVBJSPXUZYQR-UHFFFAOYSA-N 2 0 338.455 2.458 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]CCOC(C)C)C2)C1 ZINC001333108569 1335964036 /nfs/dbraw/zinc/96/40/36/1335964036.db2.gz TVUDZYGPBBEQDL-AOCRQIFASA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccc(C)nc2C)CC1)[NH+](C)C ZINC001333433156 1336045467 /nfs/dbraw/zinc/04/54/67/1336045467.db2.gz JOFIACPVZDOHBT-LJQANCHMSA-N 2 0 344.503 2.287 10 0 EEAERP C[C@@H](CN1CCOCC1)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001413973315 1338832718 /nfs/dbraw/zinc/83/27/18/1338832718.db2.gz COEHVRMLZADBPK-SESVDKBCSA-N 2 0 343.515 2.019 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001433876719 1341710846 /nfs/dbraw/zinc/71/08/46/1341710846.db2.gz VMWWRFKXZVORIC-HNNXBMFYSA-N 2 0 333.476 2.170 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001502759514 1342230958 /nfs/dbraw/zinc/23/09/58/1342230958.db2.gz HXJFWUKHNDEKGU-QUCCMNQESA-N 2 0 343.515 2.460 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001567129833 1342697325 /nfs/dbraw/zinc/69/73/25/1342697325.db2.gz AMRAACGCLLWKNL-ZDUSSCGKSA-N 2 0 333.398 2.005 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001567267829 1342729359 /nfs/dbraw/zinc/72/93/59/1342729359.db2.gz YVFGJQNZTVUXTM-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569820759 1342952226 /nfs/dbraw/zinc/95/22/26/1342952226.db2.gz UQWVIPQUIGWMES-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001569988299 1342989722 /nfs/dbraw/zinc/98/97/22/1342989722.db2.gz VKNJUPIARNLHFE-HOCLYGCPSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001570006665 1342997329 /nfs/dbraw/zinc/99/73/29/1342997329.db2.gz RCEDKYHTPNBBJU-RNRBBCFGSA-N 2 0 348.318 2.475 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001570347161 1343058613 /nfs/dbraw/zinc/05/86/13/1343058613.db2.gz VJKFYIRFBSROOL-MAUKXSAKSA-N 2 0 339.443 2.284 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001570347162 1343058690 /nfs/dbraw/zinc/05/86/90/1343058690.db2.gz VJKFYIRFBSROOL-QAPCUYQASA-N 2 0 339.443 2.284 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCC1CCOCC1 ZINC001570630932 1343094826 /nfs/dbraw/zinc/09/48/26/1343094826.db2.gz NRZITEUYFQLFJK-HOTGVXAUSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCc2cccs2)C(C)(C)C)C1 ZINC001677306641 1357311165 /nfs/dbraw/zinc/31/11/65/1357311165.db2.gz MTFVDQQOALQUKG-HOCLYGCPSA-N 2 0 337.533 2.363 10 0 EEAERP Cc1nc(CN2CC=C(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC001677603590 1357370591 /nfs/dbraw/zinc/37/05/91/1357370591.db2.gz WWLMXYVTSFKXPV-CQSZACIVSA-N 2 0 348.516 2.042 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001649442949 1353508030 /nfs/dbraw/zinc/50/80/30/1353508030.db2.gz LUANCHJEXJMXRJ-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]CCCOC)CC2)C1 ZINC001649458970 1353516896 /nfs/dbraw/zinc/51/68/96/1353516896.db2.gz IZQYDROVVYMMQO-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCCOC)[C@@H]2C)C1 ZINC001656990915 1354307641 /nfs/dbraw/zinc/30/76/41/1354307641.db2.gz AFSDJHMSMHPATN-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC001660400425 1354457407 /nfs/dbraw/zinc/45/74/07/1354457407.db2.gz TVOAWGHMGJTFDB-MAUKXSAKSA-N 2 0 333.451 2.203 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1sc(C)nc1C ZINC001660628604 1354504730 /nfs/dbraw/zinc/50/47/30/1354504730.db2.gz ZCQVKUKOPISGHL-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001660847903 1354551071 /nfs/dbraw/zinc/55/10/71/1354551071.db2.gz QDYSPNTYUGQOTO-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC001661157744 1354598761 /nfs/dbraw/zinc/59/87/61/1354598761.db2.gz WUJXWEPSWITZDH-RBUKOAKNSA-N 2 0 329.488 2.198 10 0 EEAERP COCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001661267726 1354620598 /nfs/dbraw/zinc/62/05/98/1354620598.db2.gz SWERRUQKHOMHJE-CALCHBBNSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC/C=C/c3ccccc3)C2)C1 ZINC001661375056 1354632556 /nfs/dbraw/zinc/63/25/56/1354632556.db2.gz SSRUQAPZRXEWRF-GBSQEQHRSA-N 2 0 327.472 2.232 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001661609747 1354664274 /nfs/dbraw/zinc/66/42/74/1354664274.db2.gz AYLIUZSKVKAVOT-KSZLIROESA-N 2 0 345.487 2.177 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001661842988 1354707597 /nfs/dbraw/zinc/70/75/97/1354707597.db2.gz XWXLRUHIIZWYBZ-LJQANCHMSA-N 2 0 331.504 2.398 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001661861282 1354712291 /nfs/dbraw/zinc/71/22/91/1354712291.db2.gz KPKUCRXDEUSGJX-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001661968528 1354730094 /nfs/dbraw/zinc/73/00/94/1354730094.db2.gz QTOLLSJQFFHZJP-CHWSQXEVSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)s1 ZINC001666240669 1355493070 /nfs/dbraw/zinc/49/30/70/1355493070.db2.gz RWOJSHFARAIQOO-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCc1ccccc1F ZINC001666630637 1355556311 /nfs/dbraw/zinc/55/63/11/1355556311.db2.gz YPQPIJFRSJWCIA-MRXNPFEDSA-N 2 0 349.494 2.442 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001666983309 1355626749 /nfs/dbraw/zinc/62/67/49/1355626749.db2.gz YRODUNCMQDICNF-KRWDZBQOSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992238 1355628515 /nfs/dbraw/zinc/62/85/15/1355628515.db2.gz MFALVVLULNEOAY-KDOFPFPSSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001667018034 1355633464 /nfs/dbraw/zinc/63/34/64/1355633464.db2.gz LSDSOPNUYBXVIJ-CYBMUJFWSA-N 2 0 336.307 2.474 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667033370 1355636261 /nfs/dbraw/zinc/63/62/61/1355636261.db2.gz LHEJPWJFASRYMR-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001667176858 1355665704 /nfs/dbraw/zinc/66/57/04/1355665704.db2.gz RHNHDNQEELPOSC-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001667735603 1355802430 /nfs/dbraw/zinc/80/24/30/1355802430.db2.gz YSWQNRNEXOSAPZ-KGLIPLIRSA-N 2 0 347.425 2.442 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668118026 1355876118 /nfs/dbraw/zinc/87/61/18/1355876118.db2.gz PPRBCSUQBMCOPO-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001668196611 1355897198 /nfs/dbraw/zinc/89/71/98/1355897198.db2.gz IATPEHQINCUQOZ-MRXNPFEDSA-N 2 0 346.519 2.079 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668273398 1355912754 /nfs/dbraw/zinc/91/27/54/1355912754.db2.gz HFWIOXUOOHHOAF-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP CCN(CC[NH2+]CCC1CC1)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001668435893 1355940349 /nfs/dbraw/zinc/94/03/49/1355940349.db2.gz XZEUOPSRJBDXDN-KRWDZBQOSA-N 2 0 333.480 2.028 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001669074967 1356084731 /nfs/dbraw/zinc/08/47/31/1356084731.db2.gz HPJAYUQBBQIDER-DUMMIQTOSA-N 2 0 344.503 2.417 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001669650310 1356189216 /nfs/dbraw/zinc/18/92/16/1356189216.db2.gz WKMQMVBIBCKCKE-UONOGXRCSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001672229668 1356484884 /nfs/dbraw/zinc/48/48/84/1356484884.db2.gz YXZWDVFOBUZODF-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CC[NH2+]CCCCCF)C1 ZINC001672795361 1356585698 /nfs/dbraw/zinc/58/56/98/1356585698.db2.gz BDPSVYGXJXFODV-AEFFLSMTSA-N 2 0 339.499 2.296 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)co1 ZINC001672810660 1356589580 /nfs/dbraw/zinc/58/95/80/1356589580.db2.gz QFMNIWKDRKGXRS-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001673407129 1356687651 /nfs/dbraw/zinc/68/76/51/1356687651.db2.gz OAYDPXPFUFVCKQ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001673534229 1356706018 /nfs/dbraw/zinc/70/60/18/1356706018.db2.gz XAJHUOATIIECMA-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP CCC1([NH2+]CCOC(C)C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001673614393 1356718074 /nfs/dbraw/zinc/71/80/74/1356718074.db2.gz XIJAQTRRILFVPE-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CCC2=CCCCC2)CCOCC1 ZINC001673742269 1356741429 /nfs/dbraw/zinc/74/14/29/1356741429.db2.gz JIQGYOOALWPUML-UHFFFAOYSA-N 2 0 337.508 2.084 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001673953499 1356764396 /nfs/dbraw/zinc/76/43/96/1356764396.db2.gz FWARFVCATHMHTD-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP CCc1ccc(CC[NH2+]CC2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001674526493 1356854923 /nfs/dbraw/zinc/85/49/23/1356854923.db2.gz ZVGCLVKCYNEMFR-MHJFOBGBSA-N 2 0 343.515 2.370 10 0 EEAERP CCOCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001675198176 1356944330 /nfs/dbraw/zinc/94/43/30/1356944330.db2.gz XPDUOEDGFFNLIV-KRWDZBQOSA-N 2 0 339.524 2.306 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001675552429 1357004177 /nfs/dbraw/zinc/00/41/77/1357004177.db2.gz BFKZVTUZLXCKJT-YGCDYWBJSA-N 2 0 333.520 2.369 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698842067 1405102946 /nfs/dbraw/zinc/10/29/46/1405102946.db2.gz QWUWZKDPENMNKO-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001698919631 1405161107 /nfs/dbraw/zinc/16/11/07/1405161107.db2.gz CXYZFMNTNRZVOG-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCOCC1 ZINC001698921474 1405163495 /nfs/dbraw/zinc/16/34/95/1405163495.db2.gz UACQFPBJBSPZHC-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699102478 1405255806 /nfs/dbraw/zinc/25/58/06/1405255806.db2.gz MGRRXGJQQSCCRY-RHSMWYFYSA-N 2 0 333.451 2.152 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001699111245 1405267211 /nfs/dbraw/zinc/26/72/11/1405267211.db2.gz ZAONKGDUVMAXJV-BBRMVZONSA-N 2 0 338.521 2.310 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000921330972 773274689 /nfs/dbraw/zinc/27/46/89/773274689.db2.gz TUMUSKZQVMNRMJ-KURKYZTESA-N 2 0 347.507 2.246 10 0 EEAERP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000818988457 785353929 /nfs/dbraw/zinc/35/39/29/785353929.db2.gz QFPPUFVQOUDQTO-FQEVSTJZSA-N 2 0 349.494 2.316 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2)(N2CCCCC2)CC1 ZINC000819111284 785430435 /nfs/dbraw/zinc/43/04/35/785430435.db2.gz NOWXHAUEFOXAFH-LJQANCHMSA-N 2 0 331.504 2.260 10 0 EEAERP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cn1 ZINC000819205592 785436706 /nfs/dbraw/zinc/43/67/06/785436706.db2.gz LBVRDXWDDGLYFU-GOSISDBHSA-N 2 0 330.407 2.155 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001136767527 787884246 /nfs/dbraw/zinc/88/42/46/787884246.db2.gz UDQDYIUVNODPCW-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912650643 788282073 /nfs/dbraw/zinc/28/20/73/788282073.db2.gz OTPOQULKNKTTGW-MAUKXSAKSA-N 2 0 332.492 2.478 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711276705 788583739 /nfs/dbraw/zinc/58/37/39/788583739.db2.gz BQSJLOYXFUNUNF-AEFFLSMTSA-N 2 0 329.488 2.355 10 0 EEAERP C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000923280328 789291827 /nfs/dbraw/zinc/29/18/27/789291827.db2.gz WWVGVIQIFPZVOA-GFCCVEGCSA-N 2 0 333.259 2.417 10 0 EEAERP Brc1cnn2c1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923394522 789488348 /nfs/dbraw/zinc/48/83/48/789488348.db2.gz CEDHGTKYBQKCFM-YHWZYXNKSA-N 2 0 339.281 2.382 10 0 EEAERP Cc1cc(C)cc(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923458409 789575567 /nfs/dbraw/zinc/57/55/67/789575567.db2.gz OURPFKPQXZJXPB-QGZVFWFLSA-N 2 0 331.460 2.072 10 0 EEAERP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1C ZINC000923450830 789581816 /nfs/dbraw/zinc/58/18/16/789581816.db2.gz JIHHJKQZFWCUNL-IAGOWNOFSA-N 2 0 345.487 2.460 10 0 EEAERP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450708 789582020 /nfs/dbraw/zinc/58/20/20/789582020.db2.gz WXLNAVCJUBOJBQ-NVXWUHKLSA-N 2 0 341.459 2.158 10 0 EEAERP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495261 789652938 /nfs/dbraw/zinc/65/29/38/789652938.db2.gz AALAUFJDTFCSHX-IRXDYDNUSA-N 2 0 347.503 2.146 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC=C(C)C ZINC001565997993 1125493794 /nfs/dbraw/zinc/49/37/94/1125493794.db2.gz OUKFRQCXXVCJPT-OKYOBFRVSA-N 2 0 333.520 2.463 10 0 EEAERP Cc1cccnc1C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001566469865 1125630626 /nfs/dbraw/zinc/63/06/26/1125630626.db2.gz HFSFKGXEDPODCI-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001566492696 1125657211 /nfs/dbraw/zinc/65/72/11/1125657211.db2.gz QVMLSZHCZBLWRA-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CC(F)(F)C1 ZINC001566551013 1125721439 /nfs/dbraw/zinc/72/14/39/1125721439.db2.gz ZVZPRYXYZPQXEN-MRXNPFEDSA-N 2 0 343.462 2.202 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001436492206 1087990999 /nfs/dbraw/zinc/99/09/99/1087990999.db2.gz KMHQSABWGOFDHW-SFHVURJKSA-N 2 0 347.503 2.460 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436672162 1088116439 /nfs/dbraw/zinc/11/64/39/1088116439.db2.gz RWXGMVOZZCLSDJ-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CCCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001436761008 1088280324 /nfs/dbraw/zinc/28/03/24/1088280324.db2.gz VNPLXBZVQGCANP-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001436853808 1088497626 /nfs/dbraw/zinc/49/76/26/1088497626.db2.gz KFJFJHUFUJUOES-WCXIOVBPSA-N 2 0 327.488 2.388 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001437035851 1088877115 /nfs/dbraw/zinc/87/71/15/1088877115.db2.gz ITEAVZNBLPFLGK-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001437170587 1089192478 /nfs/dbraw/zinc/19/24/78/1089192478.db2.gz QUQFWDUXYJZCLZ-CVEARBPZSA-N 2 0 345.487 2.479 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nocc2C)C1)[NH+](CC)CC ZINC001437313784 1089473898 /nfs/dbraw/zinc/47/38/98/1089473898.db2.gz QXOFJCFSKCPQRV-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2nccs2)CC1 ZINC001437848063 1090431180 /nfs/dbraw/zinc/43/11/80/1090431180.db2.gz AFRRCLNXHGUKRC-CQSZACIVSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437948961 1090546517 /nfs/dbraw/zinc/54/65/17/1090546517.db2.gz XAQMTKCUILSHNC-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP O=C(NCC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001437951967 1090548704 /nfs/dbraw/zinc/54/87/04/1090548704.db2.gz ZBJDHBRRVWVBEA-MRXNPFEDSA-N 2 0 345.462 2.250 10 0 EEAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001437973769 1090564682 /nfs/dbraw/zinc/56/46/82/1090564682.db2.gz GYSRSCZWDVAVDW-YCOJEUHLSA-N 2 0 339.911 2.395 10 0 EEAERP C[N@H+](C/C=C/Cl)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001438001125 1090600129 /nfs/dbraw/zinc/60/01/29/1090600129.db2.gz WQWCOPUFLYEHNH-FARCUNLSSA-N 2 0 325.884 2.005 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2cc(F)ccc2F)CCCC1 ZINC001438398831 1090886519 /nfs/dbraw/zinc/88/65/19/1090886519.db2.gz CFRXXWRKRWXBGX-UHFFFAOYSA-N 2 0 339.430 2.435 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001438440882 1090943270 /nfs/dbraw/zinc/94/32/70/1090943270.db2.gz LYTCSDYRGIHTMK-WOYTXXSLSA-N 2 0 327.488 2.482 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001438444717 1090947406 /nfs/dbraw/zinc/94/74/06/1090947406.db2.gz IOJQLUDPMVIWDU-WKILWMFISA-N 2 0 336.480 2.149 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2scnc2C)CC[N@@H+]1C ZINC001438494984 1090992385 /nfs/dbraw/zinc/99/23/85/1090992385.db2.gz VPXIWIYQGQYJDL-VHDGCEQUSA-N 2 0 338.521 2.024 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2ncc(C)s2)CC[N@@H+]1C ZINC001438656951 1091144438 /nfs/dbraw/zinc/14/44/38/1091144438.db2.gz XFMWCLZFURFVCO-AEGPPILISA-N 2 0 338.521 2.118 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC001445574102 1091354627 /nfs/dbraw/zinc/35/46/27/1091354627.db2.gz ZQOGBWGDKDTVEG-KSSFIOAISA-N 2 0 348.491 2.267 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001438963648 1091656330 /nfs/dbraw/zinc/65/63/30/1091656330.db2.gz NMGZNWZTHZUIOR-MAUKXSAKSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](CC[NH2+][C@@H](C)c1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001439051022 1091698115 /nfs/dbraw/zinc/69/81/15/1091698115.db2.gz ASKWLZBRYPVJID-STQMWFEESA-N 2 0 327.419 2.462 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)n1 ZINC001439398259 1092151587 /nfs/dbraw/zinc/15/15/87/1092151587.db2.gz JGAHSZCGQKXZHN-IRXDYDNUSA-N 2 0 346.519 2.483 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001439499644 1092333234 /nfs/dbraw/zinc/33/32/34/1092333234.db2.gz RRXHBUUCMRQAAH-QGZVFWFLSA-N 2 0 339.430 2.289 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC001439550271 1092422388 /nfs/dbraw/zinc/42/23/88/1092422388.db2.gz WTHWIFRRGVYTQP-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccc(Cl)cc3)CC2)C1 ZINC001439661673 1092597357 /nfs/dbraw/zinc/59/73/57/1092597357.db2.gz OEIHUMFDRJXSPB-HNNXBMFYSA-N 2 0 335.879 2.420 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439829699 1092822510 /nfs/dbraw/zinc/82/25/10/1092822510.db2.gz NSELLKQHEJUFLE-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001439853909 1092874706 /nfs/dbraw/zinc/87/47/06/1092874706.db2.gz BGRJCSBRKKLIHP-VQIMIIECSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001439854847 1092876225 /nfs/dbraw/zinc/87/62/25/1092876225.db2.gz SMIJMSDDPCJOKC-UTKZUKDTSA-N 2 0 343.515 2.324 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001439854843 1092876857 /nfs/dbraw/zinc/87/68/57/1092876857.db2.gz SMIJMSDDPCJOKC-LAUBAEHRSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001439909843 1092978812 /nfs/dbraw/zinc/97/88/12/1092978812.db2.gz AJHSEYWKWMCGTK-FQEVSTJZSA-N 2 0 329.488 2.419 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccn1)C2 ZINC001440111622 1093172785 /nfs/dbraw/zinc/17/27/85/1093172785.db2.gz OGKRUFYSAWNDKC-WDSOQIARSA-N 2 0 344.503 2.283 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC001440114801 1093176296 /nfs/dbraw/zinc/17/62/96/1093176296.db2.gz UTKYVRBNOSSNIW-FHWLQOOXSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Cl ZINC001448722803 1093793673 /nfs/dbraw/zinc/79/36/73/1093793673.db2.gz UGONSTVHZASLPC-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]Cc2cc(C)no2)CC1)[NH+](C)C ZINC001440538920 1093803945 /nfs/dbraw/zinc/80/39/45/1093803945.db2.gz MIITXSUNRCIGIC-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001448764046 1093836795 /nfs/dbraw/zinc/83/67/95/1093836795.db2.gz OEHBXQNSJUBIQF-DYVFJYSZSA-N 2 0 341.446 2.488 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)NC1CC(C[NH2+]Cc2ccccn2)C1 ZINC001440760214 1094001617 /nfs/dbraw/zinc/00/16/17/1094001617.db2.gz JJODYEIWOZAPGZ-UHFFFAOYSA-N 2 0 344.503 2.332 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3coc(C)n3)[C@@H]2C1 ZINC001449045313 1094060429 /nfs/dbraw/zinc/06/04/29/1094060429.db2.gz OZNVIHLRFSTSDG-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001449065921 1094080431 /nfs/dbraw/zinc/08/04/31/1094080431.db2.gz WKIFGWHBWAQTRX-GJZGRUSLSA-N 2 0 336.480 2.124 10 0 EEAERP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001440924090 1094178042 /nfs/dbraw/zinc/17/80/42/1094178042.db2.gz JRLYLYHNUAPMKP-QFBILLFUSA-N 2 0 329.488 2.273 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001449409207 1094391429 /nfs/dbraw/zinc/39/14/29/1094391429.db2.gz IWSDMEQOPSCPMS-NVXWUHKLSA-N 2 0 339.499 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC001441201178 1094562123 /nfs/dbraw/zinc/56/21/23/1094562123.db2.gz LRBFXGCJGQPLRU-OALUTQOASA-N 2 0 344.503 2.249 10 0 EEAERP CO[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441281055 1094701946 /nfs/dbraw/zinc/70/19/46/1094701946.db2.gz AZOJCSHMSQHMCS-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001441291937 1094727529 /nfs/dbraw/zinc/72/75/29/1094727529.db2.gz FQFLPPSGCDMTKL-FQEVSTJZSA-N 2 0 343.515 2.500 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001441297738 1094740018 /nfs/dbraw/zinc/74/00/18/1094740018.db2.gz TVOVCLHQNUZBBH-CQSZACIVSA-N 2 0 335.414 2.205 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2conc2C)C1 ZINC001441574392 1095356319 /nfs/dbraw/zinc/35/63/19/1095356319.db2.gz ZUWRPZSMPGWZMR-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001441594075 1095430983 /nfs/dbraw/zinc/43/09/83/1095430983.db2.gz QWRPHQDYIZLXNI-CQSZACIVSA-N 2 0 336.455 2.032 10 0 EEAERP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001441733971 1095718888 /nfs/dbraw/zinc/71/88/88/1095718888.db2.gz LQGXQMZVSRQOTK-FAEJEUNOSA-N 2 0 349.523 2.121 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]32)co1 ZINC001441867087 1095976076 /nfs/dbraw/zinc/97/60/76/1095976076.db2.gz JTEKCNYDIFEXHX-RYQLBKOJSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001441869258 1095981920 /nfs/dbraw/zinc/98/19/20/1095981920.db2.gz KNQCOXZQPNRPJJ-NZSAHSFTSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nocc3C)[C@H]2C1 ZINC001441876370 1095997293 /nfs/dbraw/zinc/99/72/93/1095997293.db2.gz PVCDSPMBHITCCF-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441938660 1096132633 /nfs/dbraw/zinc/13/26/33/1096132633.db2.gz IZKDIDFRBLJZRI-PMPSAXMXSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001442343987 1096667494 /nfs/dbraw/zinc/66/74/94/1096667494.db2.gz DALMKRBPSKPPAK-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001442864808 1097258626 /nfs/dbraw/zinc/25/86/26/1097258626.db2.gz NUKHYOLBUVCWPB-DOTOQJQBSA-N 2 0 348.491 2.050 10 0 EEAERP CCCOc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)c1 ZINC001443679446 1098183508 /nfs/dbraw/zinc/18/35/08/1098183508.db2.gz PKPIIPVLZGWWOV-ROUUACIJSA-N 2 0 345.487 2.212 10 0 EEAERP COCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001479502511 1098570067 /nfs/dbraw/zinc/57/00/67/1098570067.db2.gz JUUMFELWFMRMGL-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC1(C[NH2+]Cc2ccccc2F)CCCC1)C12CC[NH+](CC1)C2 ZINC001444085352 1098614904 /nfs/dbraw/zinc/61/49/04/1098614904.db2.gz AZENIXRUBKPOGJ-UHFFFAOYSA-N 2 0 345.462 2.440 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@@H]1CCc2ccccc21 ZINC001479812639 1099074672 /nfs/dbraw/zinc/07/46/72/1099074672.db2.gz PLZJSLNUCCXWSI-RBUKOAKNSA-N 2 0 343.515 2.496 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1CC(F)(F)C1 ZINC001479815194 1099086896 /nfs/dbraw/zinc/08/68/96/1099086896.db2.gz AXUXMLZARRAKDF-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001444451785 1099097369 /nfs/dbraw/zinc/09/73/69/1099097369.db2.gz QPOMXXQZHMGXHK-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001479906084 1099295766 /nfs/dbraw/zinc/29/57/66/1099295766.db2.gz LPAKUWILSVSSAR-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001479914719 1099318145 /nfs/dbraw/zinc/31/81/45/1099318145.db2.gz PTZDEYWXTNENTK-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nccs1 ZINC001444632368 1099459016 /nfs/dbraw/zinc/45/90/16/1099459016.db2.gz FIJFJSFRIDWHEX-GJZGRUSLSA-N 2 0 338.521 2.200 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)n1 ZINC001444736781 1099612675 /nfs/dbraw/zinc/61/26/75/1099612675.db2.gz WTEYDHWGYQUHDM-INIZCTEOSA-N 2 0 332.492 2.237 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001480078545 1099622864 /nfs/dbraw/zinc/62/28/64/1099622864.db2.gz URRNWTBOVFJHRE-DLBZAZTESA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444774932 1099676710 /nfs/dbraw/zinc/67/67/10/1099676710.db2.gz NTCFWUYHJPBTHB-QLFBSQMISA-N 2 0 338.521 2.104 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480122720 1099685840 /nfs/dbraw/zinc/68/58/40/1099685840.db2.gz SOZIKVCUXVOMSN-SFHVURJKSA-N 2 0 345.487 2.050 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001444830001 1099777122 /nfs/dbraw/zinc/77/71/22/1099777122.db2.gz SSTSPKWYQHUGTJ-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001480189530 1099788358 /nfs/dbraw/zinc/78/83/58/1099788358.db2.gz OJOVOQRQUODXTJ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001480238833 1099871069 /nfs/dbraw/zinc/87/10/69/1099871069.db2.gz YAXXYQZGPWXZAM-RIMWYZOYSA-N 2 0 334.291 2.418 10 0 EEAERP O=C(NC[C@H]1CCCC[N@H+]1CCCCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001480315676 1100047837 /nfs/dbraw/zinc/04/78/37/1100047837.db2.gz ILVBAKOXGLHUFX-QZTJIDSGSA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1nc2ccccc2o1)C(C)C)[NH+](C)C ZINC001444940459 1100052755 /nfs/dbraw/zinc/05/27/55/1100052755.db2.gz SULSKMRBRBHAFG-JKSUJKDBSA-N 2 0 346.475 2.398 10 0 EEAERP Cc1nc(C(C)C)oc1CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444952295 1100069188 /nfs/dbraw/zinc/06/91/88/1100069188.db2.gz DBEHGXZGPHRBNC-HNNXBMFYSA-N 2 0 336.480 2.091 10 0 EEAERP CC(C)CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001480411869 1100230053 /nfs/dbraw/zinc/23/00/53/1100230053.db2.gz WAGANRDSKXVQPW-AOCRQIFASA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001480595835 1100444681 /nfs/dbraw/zinc/44/46/81/1100444681.db2.gz DPPNFTJSZHFNDB-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496206841 1100747909 /nfs/dbraw/zinc/74/79/09/1100747909.db2.gz LXMQHILKPRGMEI-WMZOPIPTSA-N 2 0 343.515 2.454 10 0 EEAERP CN1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229658 1100918972 /nfs/dbraw/zinc/91/89/72/1100918972.db2.gz JOCKJAXYIVLORU-UYAOXDASSA-N 2 0 349.519 2.082 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001496361283 1100954872 /nfs/dbraw/zinc/95/48/72/1100954872.db2.gz JHPCTXNBGPKYHB-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)s1 ZINC001496372587 1100965771 /nfs/dbraw/zinc/96/57/71/1100965771.db2.gz ABGRXOYXJKFCQT-XJKSGUPXSA-N 2 0 338.521 2.118 10 0 EEAERP C[C@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496424815 1101015592 /nfs/dbraw/zinc/01/55/92/1101015592.db2.gz ANGVRASWLLMIMH-LPHOPBHVSA-N 2 0 347.503 2.103 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446554071 1101027917 /nfs/dbraw/zinc/02/79/17/1101027917.db2.gz DVBIBGZTVGGSOT-QZTJIDSGSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccsc3)C2)C1 ZINC001446604292 1101101635 /nfs/dbraw/zinc/10/16/35/1101101635.db2.gz KGDCWWKOGCHVHM-MAUKXSAKSA-N 2 0 335.517 2.418 10 0 EEAERP CC(C)CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001446722255 1101291454 /nfs/dbraw/zinc/29/14/54/1101291454.db2.gz CPQPHMMIMFSBOX-HOTGVXAUSA-N 2 0 345.478 2.448 10 0 EEAERP CN(CC[N@H+](C)CCC1CCCC1)C(=O)COC1CC[NH+](C)CC1 ZINC001496810409 1101511369 /nfs/dbraw/zinc/51/13/69/1101511369.db2.gz QXYRIWCDPSBJQR-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]C[C@@H]2CCCOC2)ccc2c[nH+]cn21 ZINC001497220082 1102146208 /nfs/dbraw/zinc/14/62/08/1102146208.db2.gz IIDORLJJDNTHGG-ZBFHGGJFSA-N 2 0 344.459 2.167 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cnccc2C)C1 ZINC001497255279 1102199906 /nfs/dbraw/zinc/19/99/06/1102199906.db2.gz KTKBEGRADAWQBO-QZTJIDSGSA-N 2 0 346.519 2.496 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cncs2)C1 ZINC001497257409 1102206585 /nfs/dbraw/zinc/20/65/85/1102206585.db2.gz XHEVCMQJEFVDKQ-GJZGRUSLSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257737 1102207773 /nfs/dbraw/zinc/20/77/73/1102207773.db2.gz VSCQKVIAZDLCAK-LLVKDONJSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1F ZINC001497263502 1102216701 /nfs/dbraw/zinc/21/67/01/1102216701.db2.gz MKJYDRRNLDDTPZ-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP CCN(CC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001497401261 1102433707 /nfs/dbraw/zinc/43/37/07/1102433707.db2.gz RPVKOSXRWWASHJ-UHFFFAOYSA-N 2 0 349.523 2.061 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001497501106 1102590920 /nfs/dbraw/zinc/59/09/20/1102590920.db2.gz OALREQUFFBZRGJ-GASCZTMLSA-N 2 0 336.455 2.032 10 0 EEAERP CCC1([NH2+]Cc2conc2C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001447428161 1102634819 /nfs/dbraw/zinc/63/48/19/1102634819.db2.gz KRCCFKGSTUZZRN-OAHLLOKOSA-N 2 0 348.491 2.186 10 0 EEAERP CN(C)c1cccc(C[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001447552918 1102848840 /nfs/dbraw/zinc/84/88/40/1102848840.db2.gz UVMKKGWJNPVAOK-UHFFFAOYSA-N 2 0 346.519 2.175 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CCc2ccccc2)CC1 ZINC001497691161 1102911220 /nfs/dbraw/zinc/91/12/20/1102911220.db2.gz KGEBWUUTWXRQBQ-AATRIKPKSA-N 2 0 329.488 2.223 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497691225 1102912376 /nfs/dbraw/zinc/91/23/76/1102912376.db2.gz KOXMAUZSCYPFMM-QWNKOJSDSA-N 2 0 344.503 2.417 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001497749491 1103018378 /nfs/dbraw/zinc/01/83/78/1103018378.db2.gz IWSFNTPBGZTGLN-NLVOMGJBSA-N 2 0 349.425 2.310 10 0 EEAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001447905450 1103564044 /nfs/dbraw/zinc/56/40/44/1103564044.db2.gz JQBVUDMTGOIWEE-NEPJUHHUSA-N 2 0 325.419 2.400 10 0 EEAERP Cc1cccnc1C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001448232989 1104222528 /nfs/dbraw/zinc/22/25/28/1104222528.db2.gz FJVAFKHTMPAAGY-UHFFFAOYSA-N 2 0 344.503 2.395 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494876904 1104487549 /nfs/dbraw/zinc/48/75/49/1104487549.db2.gz SCJWGANZHUGYSP-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001494980077 1104623096 /nfs/dbraw/zinc/62/30/96/1104623096.db2.gz BDYISOPNFKESTJ-UIAACRFSSA-N 2 0 343.515 2.500 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001495095011 1104733656 /nfs/dbraw/zinc/73/36/56/1104733656.db2.gz SPUXNVLKKQRTBV-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(COC)c1 ZINC001497994263 1106754634 /nfs/dbraw/zinc/75/46/34/1106754634.db2.gz YZOHMQSFZIYBRT-APWZRJJASA-N 2 0 347.503 2.302 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]C/C(Cl)=C/Cl)C2)CC[N@@H+]1C ZINC001480645971 1106813826 /nfs/dbraw/zinc/81/38/26/1106813826.db2.gz NBKQQRVFTXHKEI-WSTIHDONSA-N 2 0 348.318 2.474 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001498041473 1106822787 /nfs/dbraw/zinc/82/27/87/1106822787.db2.gz AXKSIDYQEOWYRK-BBRMVZONSA-N 2 0 339.430 2.432 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001480679710 1106869024 /nfs/dbraw/zinc/86/90/24/1106869024.db2.gz CJMJYEMEJWWNOG-KWEPMOPPSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498118667 1106945756 /nfs/dbraw/zinc/94/57/56/1106945756.db2.gz VSBZTXJKNXIDEV-GJZGRUSLSA-N 2 0 337.895 2.319 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498286618 1107217117 /nfs/dbraw/zinc/21/71/17/1107217117.db2.gz BCXFEHQPLJWTGL-IIDMSEBBSA-N 2 0 335.467 2.411 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cccnc1 ZINC001493111080 1107516103 /nfs/dbraw/zinc/51/61/03/1107516103.db2.gz NTESSFRVOHSWSZ-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001493129190 1107559471 /nfs/dbraw/zinc/55/94/71/1107559471.db2.gz QPIXYNDDJVQZIO-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001498490597 1107626334 /nfs/dbraw/zinc/62/63/34/1107626334.db2.gz OLYBFSMSTWIWPI-NVXWUHKLSA-N 2 0 336.480 2.008 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498636469 1107858822 /nfs/dbraw/zinc/85/88/22/1107858822.db2.gz FVXRQPRUEINHFU-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1nc(C)cs1 ZINC001498659162 1107913554 /nfs/dbraw/zinc/91/35/54/1107913554.db2.gz VTEVFXOBHGKYMI-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP O=C(NCC[N@H+](Cc1ccsc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001493373219 1108013637 /nfs/dbraw/zinc/01/36/37/1108013637.db2.gz YRIXEJRSWVKWQQ-KRWDZBQOSA-N 2 0 333.501 2.171 10 0 EEAERP O=C(NCC[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001493436362 1108154443 /nfs/dbraw/zinc/15/44/43/1108154443.db2.gz UHNLOILTBNEOJB-AWEZNQCLSA-N 2 0 341.446 2.098 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C/Cl)C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001498848577 1108218107 /nfs/dbraw/zinc/21/81/07/1108218107.db2.gz FJENRQIBWHKYQG-GNPOSMKQSA-N 2 0 339.911 2.345 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCCC(F)(F)F)C2CC2)C1 ZINC001498861496 1108237046 /nfs/dbraw/zinc/23/70/46/1108237046.db2.gz DMXZRXUIIBPKGY-ZIAGYGMSSA-N 2 0 335.414 2.155 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001493545393 1108291631 /nfs/dbraw/zinc/29/16/31/1108291631.db2.gz IYHKIKRXQQREJD-KRWDZBQOSA-N 2 0 349.523 2.059 10 0 EEAERP CC(C)Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001493794449 1108673287 /nfs/dbraw/zinc/67/32/87/1108673287.db2.gz WFRUWOJNGBHRJQ-LJQANCHMSA-N 2 0 331.504 2.385 10 0 EEAERP C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC001472025764 1110538825 /nfs/dbraw/zinc/53/88/25/1110538825.db2.gz HGPHDVZCJGKCDX-GOSISDBHSA-N 2 0 329.488 2.355 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001479322276 1110681307 /nfs/dbraw/zinc/68/13/07/1110681307.db2.gz RHMRGISKBNMCQL-HWCVXOSUSA-N 2 0 345.890 2.436 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CCCC2)c1 ZINC001500075704 1112604948 /nfs/dbraw/zinc/60/49/48/1112604948.db2.gz SUURBVUSGVOJTF-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)sn1 ZINC001501090716 1113195212 /nfs/dbraw/zinc/19/52/12/1113195212.db2.gz HAUUZVGAAVWYQJ-GJZGRUSLSA-N 2 0 338.521 2.118 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001501146222 1113214765 /nfs/dbraw/zinc/21/47/65/1113214765.db2.gz KRRCYPKTBWSOGY-KBPBESRZSA-N 2 0 337.430 2.355 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+](CC)CC ZINC001501169628 1113225367 /nfs/dbraw/zinc/22/53/67/1113225367.db2.gz BKPMRNMUHZGHCP-YVSFHVDLSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@H](C[NH2+]CCCF)CC2)C1 ZINC001501186462 1113233603 /nfs/dbraw/zinc/23/36/03/1113233603.db2.gz LJHYOAFLJXVJHH-BRWVUGGUSA-N 2 0 327.488 2.200 10 0 EEAERP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001502795126 1113802214 /nfs/dbraw/zinc/80/22/14/1113802214.db2.gz AHPBJWUFIGHHRG-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@@H](OC)C2CCC2)CC1 ZINC001502803867 1113805252 /nfs/dbraw/zinc/80/52/52/1113805252.db2.gz FDWMVFHUOUZBHT-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCCCF)CC1(C)C ZINC001502830027 1113821649 /nfs/dbraw/zinc/82/16/49/1113821649.db2.gz CMOLUKSHAVNMJE-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001502832230 1113825294 /nfs/dbraw/zinc/82/52/94/1113825294.db2.gz NNTCZORLQOPAHO-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001502923081 1113856496 /nfs/dbraw/zinc/85/64/96/1113856496.db2.gz MXNPCOZIZUFEAN-SJORKVTESA-N 2 0 349.523 2.218 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOc2ccccc2)[C@H](C)C1 ZINC001503024402 1113873547 /nfs/dbraw/zinc/87/35/47/1113873547.db2.gz XRPCBQLMPWXXBL-MSOLQXFVSA-N 2 0 347.503 2.375 10 0 EEAERP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505679224 1114127017 /nfs/dbraw/zinc/12/70/17/1114127017.db2.gz TUNXZOHFPUQLNV-OLZOCXBDSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C[C@@H]1CCC(F)(F)C1 ZINC001505935259 1114288037 /nfs/dbraw/zinc/28/80/37/1114288037.db2.gz DKPAKOMKIOPJHJ-ZIAGYGMSSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1ncccc1C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505975970 1114313781 /nfs/dbraw/zinc/31/37/81/1114313781.db2.gz CAOIQXHPCHGNRF-OAHLLOKOSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccccn2)C1 ZINC001505986013 1114321154 /nfs/dbraw/zinc/32/11/54/1114321154.db2.gz NMTLQHXKWOVAOL-DLBZAZTESA-N 2 0 332.492 2.140 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001505994790 1114328911 /nfs/dbraw/zinc/32/89/11/1114328911.db2.gz LIRZOHANOQLBSZ-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)c1C ZINC001506064923 1114388776 /nfs/dbraw/zinc/38/87/76/1114388776.db2.gz FTSDTJOVXVUKPD-HNNXBMFYSA-N 2 0 335.492 2.280 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]C/C=C\Cl)CCCCC2)C1 ZINC001506518177 1114668060 /nfs/dbraw/zinc/66/80/60/1114668060.db2.gz HDDZPBDDOHGLAW-HMZQOCAUSA-N 2 0 327.900 2.489 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3ccccc3F)C[C@H]21 ZINC001506802073 1114887156 /nfs/dbraw/zinc/88/71/56/1114887156.db2.gz GVZAWNRORJLGNJ-NNZMDNLPSA-N 2 0 347.478 2.004 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001506902404 1114960974 /nfs/dbraw/zinc/96/09/74/1114960974.db2.gz WSBLNJKOXVTRCL-BZUAXINKSA-N 2 0 335.517 2.117 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC001506906351 1114963617 /nfs/dbraw/zinc/96/36/17/1114963617.db2.gz QTERHJCNOBURLQ-XUXIUFHCSA-N 2 0 348.318 2.006 10 0 EEAERP Cc1c(C(=O)N[C@H](C)CCC[NH2+]C[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001506929805 1114981414 /nfs/dbraw/zinc/98/14/14/1114981414.db2.gz PPGCMNAZVOLVTJ-ZBFHGGJFSA-N 2 0 344.459 2.167 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001507152233 1115136256 /nfs/dbraw/zinc/13/62/56/1115136256.db2.gz ACLXPDNPLLLNME-HZPDHXFCSA-N 2 0 332.492 2.093 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001507287676 1115174800 /nfs/dbraw/zinc/17/48/00/1115174800.db2.gz AWPDTDQCVFGUJS-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCC(F)(F)F ZINC001507434316 1115267150 /nfs/dbraw/zinc/26/71/50/1115267150.db2.gz UOMHPCHBTUWLDF-ZIAGYGMSSA-N 2 0 347.425 2.107 10 0 EEAERP COCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001507441580 1115271033 /nfs/dbraw/zinc/27/10/33/1115271033.db2.gz DXWVQZCTNJPKKS-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC001507455105 1115279600 /nfs/dbraw/zinc/27/96/00/1115279600.db2.gz AYWKTAUPICENMJ-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508033724 1115396334 /nfs/dbraw/zinc/39/63/34/1115396334.db2.gz BJXDUXXBMHOKHO-HZPDHXFCSA-N 2 0 341.540 2.262 10 0 EEAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001508224947 1115452135 /nfs/dbraw/zinc/45/21/35/1115452135.db2.gz KROKVBYBHQYZCS-MRXNPFEDSA-N 2 0 325.472 2.215 10 0 EEAERP CO[C@H](C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC001508230691 1115455650 /nfs/dbraw/zinc/45/56/50/1115455650.db2.gz SDSZWUZZNMLQDO-LJQANCHMSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH2+]CCCF)cc2F)C1 ZINC001508241324 1115457890 /nfs/dbraw/zinc/45/78/90/1115457890.db2.gz RWJPJVNZKIFZEE-CQSZACIVSA-N 2 0 339.430 2.233 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567912495 1124173451 /nfs/dbraw/zinc/17/34/51/1124173451.db2.gz XOMAPMXHQBJLAX-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568678705 1124690302 /nfs/dbraw/zinc/69/03/02/1124690302.db2.gz XGBSWSKWRIAMAJ-HOTGVXAUSA-N 2 0 335.467 2.482 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568851493 1124873101 /nfs/dbraw/zinc/87/31/01/1124873101.db2.gz FSXGBVKQCMDXFG-RRFGBZISSA-N 2 0 341.499 2.353 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001568874050 1124900563 /nfs/dbraw/zinc/90/05/63/1124900563.db2.gz YGZJTXSTAFDWFF-YADGQWAMSA-N 2 0 341.499 2.422 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001568877222 1124902751 /nfs/dbraw/zinc/90/27/51/1124902751.db2.gz IHDDKHBYAMLXDC-ARJAWSKDSA-N 2 0 349.438 2.422 10 0 EEAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568905698 1124932532 /nfs/dbraw/zinc/93/25/32/1124932532.db2.gz DBENZAUBVSRXLO-KINGKOSLSA-N 2 0 337.508 2.080 10 0 EEAERP C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccnc1)[NH+]1CCCCCC1 ZINC001568927981 1124957368 /nfs/dbraw/zinc/95/73/68/1124957368.db2.gz FVBWREOAPXCZJN-CHYADLBTSA-N 2 0 330.476 2.108 10 0 EEAERP Cc1cccc(OCC[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001569214992 1125171115 /nfs/dbraw/zinc/17/11/15/1125171115.db2.gz ZLBUAKNOMUYKCL-LJQANCHMSA-N 2 0 347.503 2.296 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001569329945 1125233174 /nfs/dbraw/zinc/23/31/74/1125233174.db2.gz XFLDYLUWEFSFJF-KGLIPLIRSA-N 2 0 348.318 2.151 10 0 EEAERP 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163155606 /nfs/dbraw/zinc/15/56/06/163155606.db2.gz BJAMNPRGXWQAMR-CABCVRRESA-N 2 0 332.492 2.486 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360868650 164394037 /nfs/dbraw/zinc/39/40/37/164394037.db2.gz AEDUVQIWXSPVJP-MDNKFWRPSA-N 2 0 332.488 2.132 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368615662 166091269 /nfs/dbraw/zinc/09/12/69/166091269.db2.gz QUZAPYIHLQVZGB-GUDVDZBRSA-N 2 0 329.488 2.498 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000272679789 269007910 /nfs/dbraw/zinc/00/79/10/269007910.db2.gz RXEZRNYTINYAMK-ZWKOTPCHSA-N 2 0 344.503 2.463 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000278530575 274366490 /nfs/dbraw/zinc/36/64/90/274366490.db2.gz RPNVWEQRERJQIE-UHFFFAOYSA-N 2 0 344.434 2.110 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000372203678 276347519 /nfs/dbraw/zinc/34/75/19/276347519.db2.gz JAWSMBTUDPFEOP-ROUUACIJSA-N 2 0 348.466 2.354 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000178733303 277395385 /nfs/dbraw/zinc/39/53/85/277395385.db2.gz RVOIWYVXNXZVOO-QGZVFWFLSA-N 2 0 336.524 2.234 10 0 EEAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000423403782 288070538 /nfs/dbraw/zinc/07/05/38/288070538.db2.gz SGEVBICSBDMGJL-BHYGNILZSA-N 2 0 333.476 2.192 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC000372213450 279311345 /nfs/dbraw/zinc/31/13/45/279311345.db2.gz WKVOHFAYEMWPKM-KURKYZTESA-N 2 0 348.466 2.354 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NCc1ccc2c[nH+]cn2c1)C(C)(C)C ZINC000297300282 294205871 /nfs/dbraw/zinc/20/58/71/294205871.db2.gz QJUFKPNZUCXDLG-MRXNPFEDSA-N 2 0 331.464 2.500 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297421740 294240385 /nfs/dbraw/zinc/24/03/85/294240385.db2.gz ZCMDWFBMMCTCDO-XHSDSOJGSA-N 2 0 343.475 2.500 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccn3)cn2)CC1 ZINC000158663743 311330795 /nfs/dbraw/zinc/33/07/95/311330795.db2.gz RWPSUGIWIHNHSF-MRXNPFEDSA-N 2 0 325.460 2.469 10 0 EEAERP C[NH+]1CCN(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166028040 311391036 /nfs/dbraw/zinc/39/10/36/311391036.db2.gz ZCXHEDDBHOCKSP-UYAOXDASSA-N 2 0 331.504 2.381 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[NH+](C)C)cc1 ZINC000416840724 313331633 /nfs/dbraw/zinc/33/16/33/313331633.db2.gz LFPFMWULNCRSBU-QGTPRVQTSA-N 2 0 332.492 2.149 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000416985222 313383351 /nfs/dbraw/zinc/38/33/51/313383351.db2.gz PPUPIGSZDPGXQL-QAPCUYQASA-N 2 0 332.492 2.326 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1 ZINC000418501854 313831450 /nfs/dbraw/zinc/83/14/50/313831450.db2.gz SVMSMXATYKNGEE-CVEARBPZSA-N 2 0 348.397 2.136 10 0 EEAERP Cc1cc(NC(=O)N(C)CC[NH+]2CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000530950885 317760005 /nfs/dbraw/zinc/76/00/05/317760005.db2.gz ZLNCXEUXOLJETE-UHFFFAOYSA-N 2 0 348.495 2.018 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000542787526 318140565 /nfs/dbraw/zinc/14/05/65/318140565.db2.gz GHBDVSAMFBFNMI-IAGOWNOFSA-N 2 0 332.492 2.392 10 0 EEAERP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000564847980 319117736 /nfs/dbraw/zinc/11/77/36/319117736.db2.gz RSZVLVLYOOCULO-MRXNPFEDSA-N 2 0 346.393 2.420 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000572761217 319874932 /nfs/dbraw/zinc/87/49/32/319874932.db2.gz COGPCZPIQATVLJ-LJQANCHMSA-N 2 0 342.443 2.346 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000577269252 320246116 /nfs/dbraw/zinc/24/61/16/320246116.db2.gz MAZDRWPUCGVZAH-MJGOQNOKSA-N 2 0 348.466 2.214 10 0 EEAERP O=S1(=O)CCC[C@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868590 465270491 /nfs/dbraw/zinc/27/04/91/465270491.db2.gz HAEHKEQCTWDRNM-ZWKOTPCHSA-N 2 0 342.549 2.399 10 0 EEAERP CC(C)C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[NH+](C)C ZINC000114378036 462640959 /nfs/dbraw/zinc/64/09/59/462640959.db2.gz ORNCCNVGZNSERJ-INIZCTEOSA-N 2 0 335.492 2.333 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCC[NH+]2CCCCC2)ccc1F ZINC000115779282 462726146 /nfs/dbraw/zinc/72/61/46/462726146.db2.gz IQLTXMKDDKKTKL-UHFFFAOYSA-N 2 0 336.455 2.172 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000069418017 463242767 /nfs/dbraw/zinc/24/27/67/463242767.db2.gz XXDBUSLIIYVFFH-UHFFFAOYSA-N 2 0 332.366 2.379 10 0 EEAERP COc1ccc(OC)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000105862374 463480409 /nfs/dbraw/zinc/48/04/09/463480409.db2.gz OTATVGVJYRUMKC-OAHLLOKOSA-N 2 0 336.476 2.228 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057798374 463519566 /nfs/dbraw/zinc/51/95/66/463519566.db2.gz LLKJFIFSVLRJAX-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000185489801 463832294 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EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195126943 463998026 /nfs/dbraw/zinc/99/80/26/463998026.db2.gz JQJWHLPFYCNURB-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179121467 464060405 /nfs/dbraw/zinc/06/04/05/464060405.db2.gz UOUWJQSNVVSJHX-BHIYHBOVSA-N 2 0 344.503 2.463 10 0 EEAERP C[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000279216742 464066887 /nfs/dbraw/zinc/06/68/87/464066887.db2.gz OLVSXRFOVYRYJP-WMZOPIPTSA-N 2 0 344.503 2.103 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000263261038 464073015 /nfs/dbraw/zinc/07/30/15/464073015.db2.gz MKKGFFHAYKFTEF-QOJCHSLYSA-N 2 0 341.499 2.470 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000245661789 464502648 /nfs/dbraw/zinc/50/26/48/464502648.db2.gz PYJGGCITLATSMC-XGXHKWSGSA-N 2 0 344.503 2.460 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000246454568 464587220 /nfs/dbraw/zinc/58/72/20/464587220.db2.gz OVRDEIBJUIIKSU-KSZLIROESA-N 2 0 336.524 2.233 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246576097 464602590 /nfs/dbraw/zinc/60/25/90/464602590.db2.gz RVLZYYNPUGYZEO-KCITZHQASA-N 2 0 348.535 2.373 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000247438766 464678731 /nfs/dbraw/zinc/67/87/31/464678731.db2.gz XNUVIIOLFVNNPX-RTBURBONSA-N 2 0 346.519 2.141 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247774088 464705845 /nfs/dbraw/zinc/70/58/45/464705845.db2.gz QAZYIQOJHLOIAE-OALUTQOASA-N 2 0 331.504 2.396 10 0 EEAERP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000183608141 464885608 /nfs/dbraw/zinc/88/56/08/464885608.db2.gz UCTZTUOMUBMQJL-GOSISDBHSA-N 2 0 347.528 2.497 10 0 EEAERP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000360988184 465686240 /nfs/dbraw/zinc/68/62/40/465686240.db2.gz XAKFUMCYRKKCAO-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP COc1ccc(OC)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371296493 465696222 /nfs/dbraw/zinc/69/62/22/465696222.db2.gz ZWXWOFIJIUEDKK-HHXXYDBFSA-N 2 0 334.460 2.387 10 0 EEAERP CCCN(CCC[NH+](C)C)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000344654263 465753658 /nfs/dbraw/zinc/75/36/58/465753658.db2.gz LNQYHJKBMRYHQA-UHFFFAOYSA-N 2 0 326.529 2.482 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000348866691 465847445 /nfs/dbraw/zinc/84/74/45/465847445.db2.gz ZBWVISZXYNEHMZ-MAUKXSAKSA-N 2 0 327.472 2.176 10 0 EEAERP CN(C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361774981 466277707 /nfs/dbraw/zinc/27/77/07/466277707.db2.gz ZTHNFLICRXBMDF-MOPGFXCFSA-N 2 0 345.462 2.485 10 0 EEAERP CCOC(=O)c1cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)[nH]c1C ZINC000597248072 468495477 /nfs/dbraw/zinc/49/54/77/468495477.db2.gz LEWGDHDXERQNJV-INIZCTEOSA-N 2 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ZINC000427498079 467161211 /nfs/dbraw/zinc/16/12/11/467161211.db2.gz CEOBNNFSPGISAD-SFHVURJKSA-N 2 0 347.890 2.441 10 0 EEAERP COC[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102728 467323648 /nfs/dbraw/zinc/32/36/48/467323648.db2.gz LBDBRWJGFOYCOY-PKOBYXMFSA-N 2 0 347.503 2.154 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1)[C@H]1CCC[NH2+]1 ZINC000390055575 467405203 /nfs/dbraw/zinc/40/52/03/467405203.db2.gz OAHQKVHOBVNJJE-QLFBSQMISA-N 2 0 329.435 2.002 10 0 EEAERP FC(F)(F)[C@H](C[NH2+]CCCCOc1ccccc1)N1CC[NH2+]CC1 ZINC000414996628 467463729 /nfs/dbraw/zinc/46/37/29/467463729.db2.gz XKOHOEFTCSFXNN-INIZCTEOSA-N 2 0 345.409 2.271 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000453261023 467472780 /nfs/dbraw/zinc/47/27/80/467472780.db2.gz JSSBSXKEOSFIDV-GIVPXCGWSA-N 2 0 345.531 2.333 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000415117491 467494116 /nfs/dbraw/zinc/49/41/16/467494116.db2.gz VMNYOHFXPZLOIJ-NSHDSACASA-N 2 0 330.259 2.280 10 0 EEAERP C[C@@H]1CN(C(=O)NCc2ccc(Cn3ccnc3)cc2)C[C@H](C)[N@H+]1C ZINC000454334643 467585810 /nfs/dbraw/zinc/58/58/10/467585810.db2.gz LPFXEDPTBTYNJQ-IYBDPMFKSA-N 2 0 341.459 2.165 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C2CCOCC2)CC1 ZINC000449156015 467621351 /nfs/dbraw/zinc/62/13/51/467621351.db2.gz REDZHAXJTSTSGZ-DYESRHJHSA-N 2 0 346.515 2.459 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529298082 467841992 /nfs/dbraw/zinc/84/19/92/467841992.db2.gz KMOWQWGHRWLXKQ-BZUAXINKSA-N 2 0 336.524 2.327 10 0 EEAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000529340482 467849547 /nfs/dbraw/zinc/84/95/47/467849547.db2.gz OSCKVTDHEUIIAZ-LZLYRXPVSA-N 2 0 332.492 2.274 10 0 EEAERP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241882 467967027 /nfs/dbraw/zinc/96/70/27/467967027.db2.gz RMBWJDYNNIKCEW-SJLPKXTDSA-N 2 0 339.524 2.111 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]([NH3+])C3CCC3)CC[N@@H+]2C2CC2)c1 ZINC000515233032 467981609 /nfs/dbraw/zinc/98/16/09/467981609.db2.gz AVXHLLLPSYUGJE-IPMKNSEASA-N 2 0 343.471 2.217 10 0 EEAERP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000519699795 468196250 /nfs/dbraw/zinc/19/62/50/468196250.db2.gz MXLAIDMDLPQFNW-OLZOCXBDSA-N 2 0 335.835 2.258 10 0 EEAERP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000578759641 468253157 /nfs/dbraw/zinc/25/31/57/468253157.db2.gz BIAXINODDLIGKQ-KVZIAJEVSA-N 2 0 348.487 2.339 10 0 EEAERP FC(F)(F)CN1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000570575143 468659304 /nfs/dbraw/zinc/65/93/04/468659304.db2.gz LRJMRWWNDZMSQW-UHFFFAOYSA-N 2 0 327.394 2.402 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)CC[N@@H+]1C ZINC000592393357 468688312 /nfs/dbraw/zinc/68/83/12/468688312.db2.gz GSAIWLNWCUAOBT-GJZGRUSLSA-N 2 0 326.481 2.197 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000559774261 468755395 /nfs/dbraw/zinc/75/53/95/468755395.db2.gz OZJVFWSLEMIWQG-QGZVFWFLSA-N 2 0 347.503 2.154 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000561182293 468871765 /nfs/dbraw/zinc/87/17/65/468871765.db2.gz GJTJPONJBDFKJP-YJBOKZPZSA-N 2 0 329.488 2.428 10 0 EEAERP C[C@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000561203444 468876071 /nfs/dbraw/zinc/87/60/71/468876071.db2.gz ZLFHUXPUGHJFRY-IEBWSBKVSA-N 2 0 330.476 2.092 10 0 EEAERP CC(C)OC[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000584715774 468919474 /nfs/dbraw/zinc/91/94/74/468919474.db2.gz BBDUDDBIPUJDGX-QGZVFWFLSA-N 2 0 336.476 2.035 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000595716177 468966164 /nfs/dbraw/zinc/96/61/64/468966164.db2.gz NPYQRDLCODNRLU-VQTJNVASSA-N 2 0 331.504 2.040 10 0 EEAERP COC(=O)CC1([NH2+]C[C@@H](O)CN(C)Cc2ccccc2)CCCCC1 ZINC000610989232 469132671 /nfs/dbraw/zinc/13/26/71/469132671.db2.gz MXESOTGCIMAKEO-GOSISDBHSA-N 2 0 348.487 2.335 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](Cc2ccc(F)cc2C)C(=O)NC)[C@H](C)C1 ZINC000563127520 469177589 /nfs/dbraw/zinc/17/75/89/469177589.db2.gz YGHLUXDHFNESGV-SUMDDJOVSA-N 2 0 349.494 2.359 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629538454 469574012 /nfs/dbraw/zinc/57/40/12/469574012.db2.gz MZUGUJPWHPCWEJ-VAMGGRTRSA-N 3 0 331.504 2.385 10 0 EEAERP C[NH+](C)CCCOc1cnccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526626 469684918 /nfs/dbraw/zinc/68/49/18/469684918.db2.gz KIGGKEKCNFJBHD-KRWDZBQOSA-N 2 0 334.508 2.375 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617701738 469765690 /nfs/dbraw/zinc/76/56/90/469765690.db2.gz APCVBDPBLYCKHN-CRAIPNDOSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000626969321 469772321 /nfs/dbraw/zinc/77/23/21/469772321.db2.gz VDKPXBQDHOJSGP-QFBILLFUSA-N 2 0 344.503 2.468 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[NH2+]1 ZINC000627017021 469791564 /nfs/dbraw/zinc/79/15/64/469791564.db2.gz YGEUPXXRZWOLJO-IMFGXOCKSA-N 2 0 344.503 2.481 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000627039027 469798717 /nfs/dbraw/zinc/79/87/17/469798717.db2.gz QZNYISDDPHANBN-FZCLSBEQSA-N 2 0 330.476 2.089 10 0 EEAERP CC[C@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000627242226 469854305 /nfs/dbraw/zinc/85/43/05/469854305.db2.gz OKKLQTWLLRLPHN-RYQLBKOJSA-N 2 0 330.476 2.043 10 0 EEAERP CC(C)[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000620966698 469962509 /nfs/dbraw/zinc/96/25/09/469962509.db2.gz LRHKVVHVEDTBLJ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC000620975322 469965040 /nfs/dbraw/zinc/96/50/40/469965040.db2.gz UUBZFDUXZXOCGQ-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000628202345 470074880 /nfs/dbraw/zinc/07/48/80/470074880.db2.gz PUMMCAVKOKCBKG-IBGZPJMESA-N 2 0 328.460 2.451 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645904572 470456000 /nfs/dbraw/zinc/45/60/00/470456000.db2.gz ADTLECDTLWJDOR-BRSBDYLESA-N 2 0 336.524 2.233 10 0 EEAERP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)CC2 ZINC000639643007 470591633 /nfs/dbraw/zinc/59/16/33/470591633.db2.gz YEWNEWJWQKVROH-QUCCMNQESA-N 2 0 337.471 2.363 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CCC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000646296356 470594583 /nfs/dbraw/zinc/59/45/83/470594583.db2.gz GIRVEEMWWSPPDI-MNEFBYGVSA-N 2 0 343.471 2.089 10 0 EEAERP c1n[nH]cc1[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776624 470663247 /nfs/dbraw/zinc/66/32/47/470663247.db2.gz CQNYZCYDLIPGFL-ROUUACIJSA-N 2 0 344.463 2.123 10 0 EEAERP C[C@H]([NH2+]CCCc1ncn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647327390 470883399 /nfs/dbraw/zinc/88/33/99/470883399.db2.gz ZWTAJKGRSZKSIN-WMZOPIPTSA-N 2 0 327.476 2.248 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000657351719 471108649 /nfs/dbraw/zinc/10/86/49/471108649.db2.gz SPCLDLGKBBHQQT-UHFFFAOYSA-N 2 0 328.460 2.102 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000654827447 471194092 /nfs/dbraw/zinc/19/40/92/471194092.db2.gz FIPUMUDXUPIJOW-NZSAHSFTSA-N 2 0 329.488 2.450 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652241317 471260915 /nfs/dbraw/zinc/26/09/15/471260915.db2.gz DFFMGUSTNBNMOD-SJORKVTESA-N 2 0 336.524 2.411 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000652291673 471268286 /nfs/dbraw/zinc/26/82/86/471268286.db2.gz CUAFIBIJIXIXDH-UHFFFAOYSA-N 2 0 326.444 2.077 10 0 EEAERP C[C@H]1CN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418143 471288747 /nfs/dbraw/zinc/28/87/47/471288747.db2.gz UDJYKOLCXXKFGG-MJGOQNOKSA-N 2 0 344.503 2.244 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659033219 471476184 /nfs/dbraw/zinc/47/61/84/471476184.db2.gz VDXADIDLKLEYCF-ROUUACIJSA-N 2 0 344.459 2.050 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C[C@@H]1C ZINC000659040019 471483137 /nfs/dbraw/zinc/48/31/37/471483137.db2.gz MILHOAZVKSCZFJ-RLFYNMQTSA-N 2 0 346.475 2.294 10 0 EEAERP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCCc2cccnc21 ZINC000666705266 471501253 /nfs/dbraw/zinc/50/12/53/471501253.db2.gz WAHMLAVCPHUSKS-FUHWJXTLSA-N 2 0 344.503 2.368 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1 ZINC000656126969 471598865 /nfs/dbraw/zinc/59/88/65/471598865.db2.gz FILULFHEKDRDIE-CFVMTHIKSA-N 2 0 343.393 2.032 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659578188 471684909 /nfs/dbraw/zinc/68/49/09/471684909.db2.gz CVXGLLWMKZNMCM-QZTJIDSGSA-N 2 0 332.492 2.114 10 0 EEAERP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659601084 471696483 /nfs/dbraw/zinc/69/64/83/471696483.db2.gz QPOPWYUBJOHYMJ-INYHJIAOSA-N 2 0 334.508 2.318 10 0 EEAERP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000664727395 471845305 /nfs/dbraw/zinc/84/53/05/471845305.db2.gz HLJCQTKIXVYHDN-SFHVURJKSA-N 2 0 332.492 2.026 10 0 EEAERP CC[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000660324070 471944538 /nfs/dbraw/zinc/94/45/38/471944538.db2.gz YMCUZTVKOMDMIE-LJQANCHMSA-N 2 0 344.503 2.026 10 0 EEAERP CCc1cccnc1[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287262 471990205 /nfs/dbraw/zinc/99/02/05/471990205.db2.gz GOZPLFAUWRNUQB-HNNXBMFYSA-N 2 0 332.492 2.285 10 0 EEAERP c1cc2c(cc1[C@H]1CCC[N@H+]1C[C@@H]1CCC3(C[NH2+]C3)O1)OCCO2 ZINC000662248826 472041743 /nfs/dbraw/zinc/04/17/43/472041743.db2.gz JZTZYWSSALFZBK-JKSUJKDBSA-N 2 0 330.428 2.116 10 0 EEAERP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249371 472041765 /nfs/dbraw/zinc/04/17/65/472041765.db2.gz ULWRTAYNZBGQDX-CVEARBPZSA-N 2 0 332.444 2.362 10 0 EEAERP c1ccc(CCCO[C@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662259592 472046783 /nfs/dbraw/zinc/04/67/83/472046783.db2.gz ZAUCOWYJLYQOIN-RBUKOAKNSA-N 2 0 330.472 2.231 10 0 EEAERP CCC[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1CCOC ZINC000662281164 472054915 /nfs/dbraw/zinc/05/49/15/472054915.db2.gz UHBJKCUCMDDRAD-LJQANCHMSA-N 2 0 331.504 2.265 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)on1 ZINC000662662944 472194541 /nfs/dbraw/zinc/19/45/41/472194541.db2.gz ALMZYPMOLPOBMF-GFCCVEGCSA-N 2 0 348.472 2.497 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)c1cccc(F)c1 ZINC000662664444 472194668 /nfs/dbraw/zinc/19/46/68/472194668.db2.gz XLRNNHPMNKOXLJ-ZDUSSCGKSA-N 2 0 334.395 2.040 10 0 EEAERP CCC[NH+]1CCC(N(C)C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000674048095 485623850 /nfs/dbraw/zinc/62/38/50/485623850.db2.gz ZAQHNBBTBRTKHN-HXUWFJFHSA-N 2 0 333.520 2.286 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000674285362 485681031 /nfs/dbraw/zinc/68/10/31/485681031.db2.gz WSUWUIYZKQJPIM-OAHLLOKOSA-N 2 0 342.447 2.463 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000678343457 486620069 /nfs/dbraw/zinc/62/00/69/486620069.db2.gz IUKLLIYAODCSPF-PKOBYXMFSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174783029 534077916 /nfs/dbraw/zinc/07/79/16/534077916.db2.gz WNSPAVQQRCSDSV-KSSFIOAISA-N 2 0 340.895 2.398 10 0 EEAERP Cc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)s1 ZINC000178598420 534871369 /nfs/dbraw/zinc/87/13/69/534871369.db2.gz UOLHAWDACBWXQM-UHFFFAOYSA-N 2 0 326.510 2.106 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N1CCC([NH+](C)C)CC1 ZINC000051444844 536469170 /nfs/dbraw/zinc/46/91/70/536469170.db2.gz PLNQTBQJIRDVIU-UHFFFAOYSA-N 2 0 327.270 2.094 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375089955 535996234 /nfs/dbraw/zinc/99/62/34/535996234.db2.gz JVXRILGISQKIGB-INIZCTEOSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000764605978 577739869 /nfs/dbraw/zinc/73/98/69/577739869.db2.gz IFVGZSMPSJJDDA-PKOBYXMFSA-N 2 0 329.488 2.499 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000741492258 578120343 /nfs/dbraw/zinc/12/03/43/578120343.db2.gz QKNTUVQCUHKGCT-OAGGEKHMSA-N 2 0 326.554 2.007 10 0 EEAERP CC(C)Oc1cc(F)ccc1NC(=O)NCCN1CCC([NH3+])CC1 ZINC000926087435 676222389 /nfs/dbraw/zinc/22/23/89/676222389.db2.gz LTAFLLKOFAVISN-UHFFFAOYSA-N 2 0 338.427 2.158 10 0 EEAERP CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261791421 681350780 /nfs/dbraw/zinc/35/07/80/681350780.db2.gz ONOVEGRXSHVUSR-AZUAARDMSA-N 2 0 342.487 2.438 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)[C@@H](C)O ZINC000894904079 683377794 /nfs/dbraw/zinc/37/77/94/683377794.db2.gz DNVNOUNIUVCNDU-ZWNOBZJWSA-N 2 0 330.375 2.319 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C)[C@H]3C)cc2)CC1 ZINC000924693420 693174105 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GCLPVFRJXNPNJA-INIZCTEOSA-N 2 0 348.491 2.222 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)co1 ZINC001266818346 1177481152 /nfs/dbraw/zinc/48/11/52/1177481152.db2.gz ZIXMUPAFTJOXRX-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C[NH2+]CCF)C1 ZINC001691370417 1177978847 /nfs/dbraw/zinc/97/88/47/1177978847.db2.gz PRTJQYYKCISHNP-RVKKMQEKSA-N 2 0 345.478 2.385 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001267058722 1178167165 /nfs/dbraw/zinc/16/71/65/1178167165.db2.gz VMXZPCMPLRSZFT-QUCCMNQESA-N 2 0 343.515 2.317 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922984 1178454016 /nfs/dbraw/zinc/45/40/16/1178454016.db2.gz YCRDJWUQQRKVHZ-KBXCAEBGSA-N 2 0 326.444 2.324 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267372791 1178883441 /nfs/dbraw/zinc/88/34/41/1178883441.db2.gz YLIOCGRJKHGSJD-GOSISDBHSA-N 2 0 335.467 2.289 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cnc(-c2ccccc2)o1)[NH+](C)C ZINC001267430642 1179006088 /nfs/dbraw/zinc/00/60/88/1179006088.db2.gz SCXJBPRXIMFWOC-KRWDZBQOSA-N 2 0 344.459 2.230 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267468788 1179089456 /nfs/dbraw/zinc/08/94/56/1179089456.db2.gz CPFYRIRMBXGPGD-CYBMUJFWSA-N 2 0 344.286 2.493 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1cnccc1C ZINC001480982812 1179421010 /nfs/dbraw/zinc/42/10/10/1179421010.db2.gz HMJSMYUYOPEMIJ-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CCN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1c(C)noc1C ZINC001481003608 1179461517 /nfs/dbraw/zinc/46/15/17/1179461517.db2.gz GVVWVDZWXNDNTO-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C[N@H+](C)CC=C(C)C)C1 ZINC001267653592 1180107689 /nfs/dbraw/zinc/10/76/89/1180107689.db2.gz WITTZZACIDHKKV-DLBZAZTESA-N 2 0 327.488 2.413 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267762982 1180442915 /nfs/dbraw/zinc/44/29/15/1180442915.db2.gz VEOIFNNFJNKVCH-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001267775214 1180497308 /nfs/dbraw/zinc/49/73/08/1180497308.db2.gz PNGXOBQMKIQYAJ-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001481266079 1180520286 /nfs/dbraw/zinc/52/02/86/1180520286.db2.gz ZAIBXGDFBYFAOK-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001267908446 1180744578 /nfs/dbraw/zinc/74/45/78/1180744578.db2.gz DZEIAVUKGCHFHV-MSOLQXFVSA-N 2 0 339.499 2.295 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001267933626 1180786260 /nfs/dbraw/zinc/78/62/60/1180786260.db2.gz KJNILZYCVNVCQO-VQHPVUNQSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001267933621 1180786368 /nfs/dbraw/zinc/78/63/68/1180786368.db2.gz KJNILZYCVNVCQO-LUKYLMHMSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001481343359 1181076679 /nfs/dbraw/zinc/07/66/79/1181076679.db2.gz NDIODFSXUREJIK-AWEZNQCLSA-N 2 0 336.480 2.040 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)CCO1)[NH+](C)C ZINC001268030069 1181219578 /nfs/dbraw/zinc/21/95/78/1181219578.db2.gz MBZJJYWBSUFBSJ-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001481408679 1181240397 /nfs/dbraw/zinc/24/03/97/1181240397.db2.gz DOSMVMANTCCAAI-IEBWSBKVSA-N 2 0 344.503 2.236 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001481457154 1181408271 /nfs/dbraw/zinc/40/82/71/1181408271.db2.gz KVMBOOUWOSEOLY-DLBZAZTESA-N 2 0 349.544 2.461 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001268149639 1181829244 /nfs/dbraw/zinc/82/92/44/1181829244.db2.gz DDORHNXXOKWYRU-PKOBYXMFSA-N 2 0 349.519 2.036 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001268166773 1181907151 /nfs/dbraw/zinc/90/71/51/1181907151.db2.gz UWIWSTOZUCBMFN-SFHVURJKSA-N 2 0 330.476 2.038 10 0 EEAERP COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001268178608 1181961095 /nfs/dbraw/zinc/96/10/95/1181961095.db2.gz GCSDCDAMJLSORN-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369313 1182357743 /nfs/dbraw/zinc/35/77/43/1182357743.db2.gz VEPCWTUYZTVMOE-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2ncccc2C)C1 ZINC001268394422 1182459780 /nfs/dbraw/zinc/45/97/80/1182459780.db2.gz VTFJDOMHAHUNTM-MSOLQXFVSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268411616 1182556123 /nfs/dbraw/zinc/55/61/23/1182556123.db2.gz PHFRNDKKHHIRRU-AWEZNQCLSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268412800 1182559996 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339.524 2.160 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001482026519 1183154791 /nfs/dbraw/zinc/15/47/91/1183154791.db2.gz WIWHQFHGECOARF-WGSAOQKQSA-N 2 0 347.503 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCOC)CC1 ZINC001482027540 1183156731 /nfs/dbraw/zinc/15/67/31/1183156731.db2.gz HFWYNHVGJHHLBG-KZNAEPCWSA-N 2 0 339.524 2.304 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268541518 1183206830 /nfs/dbraw/zinc/20/68/30/1183206830.db2.gz GJSCCYJSVWEXSC-GOVFWEMJSA-N 2 0 345.487 2.106 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001482136091 1183443762 /nfs/dbraw/zinc/44/37/62/1183443762.db2.gz OJFPCYWXTZABCT-HFTRVMKXSA-N 2 0 346.519 2.271 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001482137965 1183454280 /nfs/dbraw/zinc/45/42/80/1183454280.db2.gz HOUHLFZGYHLZAD-GOEBONIOSA-N 2 0 345.478 2.496 10 0 EEAERP 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2.068 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCc3cccs3)C2)CC1 ZINC001270788929 1185390387 /nfs/dbraw/zinc/39/03/87/1185390387.db2.gz OJCABWJKNBQRRZ-IBGZPJMESA-N 2 0 349.544 2.461 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC3(C[NH+](CCCCCF)C3)CC2)C1 ZINC001270863648 1185528770 /nfs/dbraw/zinc/52/87/70/1185528770.db2.gz IQHGDUXCQGAZBX-QGZVFWFLSA-N 2 0 339.499 2.392 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001271549996 1186310635 /nfs/dbraw/zinc/31/06/35/1186310635.db2.gz AAKHJJOXXAKRLG-IAGOWNOFSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccn(CC)n1)[NH+](C)C ZINC001271600077 1186332441 /nfs/dbraw/zinc/33/24/41/1186332441.db2.gz NCPISMDOTAURHV-ROUUACIJSA-N 2 0 349.523 2.104 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1 ZINC001271758434 1186464099 /nfs/dbraw/zinc/46/40/99/1186464099.db2.gz XDIYNZWMFHSQTJ-NXLNEFQQSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C(C)C)o1 ZINC001482537110 1186588081 /nfs/dbraw/zinc/58/80/81/1186588081.db2.gz HJSUJMZTBFEGAZ-KRWDZBQOSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482662146 1187506166 /nfs/dbraw/zinc/50/61/66/1187506166.db2.gz IYIQSTJIAQJSLZ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001482685378 1187651705 /nfs/dbraw/zinc/65/17/05/1187651705.db2.gz FRMFZXOYHFRXEB-ZWKOTPCHSA-N 2 0 332.492 2.025 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1nc(C)oc1C ZINC001482696262 1187666546 /nfs/dbraw/zinc/66/65/46/1187666546.db2.gz VLMOPBRKDMCHKJ-JKSUJKDBSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832074 1187752279 /nfs/dbraw/zinc/75/22/79/1187752279.db2.gz UCERKFIJTDSICB-AEFFLSMTSA-N 2 0 339.524 2.160 10 0 EEAERP CCc1ccccc1C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001482963634 1187899596 /nfs/dbraw/zinc/89/95/96/1187899596.db2.gz OGUZFXZYOSDYSJ-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967412 1187904926 /nfs/dbraw/zinc/90/49/26/1187904926.db2.gz QOUSDEIZDLBXSH-GOSISDBHSA-N 2 0 340.471 2.125 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001483010022 1187993041 /nfs/dbraw/zinc/99/30/41/1187993041.db2.gz YHJDMUPMBMLJTO-WVYCKABHSA-N 2 0 341.499 2.278 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cc(F)ccc1F)[C@H]1C[NH+]2CCC1CC2 ZINC001483010088 1187993467 /nfs/dbraw/zinc/99/34/67/1187993467.db2.gz JARSBVUWZYWVRI-IMLGJKEDSA-N 2 0 349.425 2.069 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C)sn1 ZINC001483061773 1188368381 /nfs/dbraw/zinc/36/83/81/1188368381.db2.gz XWYLWZQJWRYESP-SREVYHEPSA-N 2 0 338.521 2.191 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/CNCc2c(F)cccc2F)C1 ZINC001483082926 1188443954 /nfs/dbraw/zinc/44/39/54/1188443954.db2.gz ZKORMXARIFDRHG-HSWBROFVSA-N 2 0 337.414 2.069 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CNCc2c(F)cccc2F)C1 ZINC001483082925 1188444035 /nfs/dbraw/zinc/44/40/35/1188444035.db2.gz ZKORMXARIFDRHG-BAABZTOOSA-N 2 0 337.414 2.069 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001483082253 1188445290 /nfs/dbraw/zinc/44/52/90/1188445290.db2.gz NDOOWICICWOWAH-PXPVJAHISA-N 2 0 329.488 2.353 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)ns1 ZINC001483098761 1188474984 /nfs/dbraw/zinc/47/49/84/1188474984.db2.gz SUZBEMDAGRZTIN-OGZRUICASA-N 2 0 336.505 2.088 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1 ZINC001483099447 1188477342 /nfs/dbraw/zinc/47/73/42/1188477342.db2.gz YIJCGTVIDZLNCT-PLNGDYQASA-N 2 0 340.471 2.337 10 0 EEAERP C[C@H](C[NH2+]Cc1csc(-c2ccoc2)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116911 1188536982 /nfs/dbraw/zinc/53/69/82/1188536982.db2.gz QBNIDMOYPNBIEQ-DOMZBBRYSA-N 2 0 348.472 2.092 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135622 1188677717 /nfs/dbraw/zinc/67/77/17/1188677717.db2.gz LCZPACBIURMWBS-QGZVFWFLSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866037 1193583113 /nfs/dbraw/zinc/58/31/13/1193583113.db2.gz PSTXTCAHGBPOQK-WCQYABFASA-N 2 0 344.912 2.265 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1ccnc1 ZINC001483171548 1189010519 /nfs/dbraw/zinc/01/05/19/1189010519.db2.gz XFUKPCDWHHZVBJ-HUUCEWRRSA-N 2 0 346.479 2.215 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432594 1189665532 /nfs/dbraw/zinc/66/55/32/1189665532.db2.gz MJJQDJDCUGDTJN-HOTGVXAUSA-N 2 0 331.504 2.500 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000905583811 1189794835 /nfs/dbraw/zinc/79/48/35/1189794835.db2.gz IPFZYIWIBJFAPM-MRXNPFEDSA-N 2 0 338.565 2.296 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001409476229 1189807913 /nfs/dbraw/zinc/80/79/13/1189807913.db2.gz RKSKSMIXUWIBPJ-UONOGXRCSA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001483240995 1190271407 /nfs/dbraw/zinc/27/14/07/1190271407.db2.gz WFAABSYUDCQXLP-MQIPJXDCSA-N 2 0 327.419 2.460 10 0 EEAERP C[C@@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCc1cncn1C ZINC001483415188 1190462864 /nfs/dbraw/zinc/46/28/64/1190462864.db2.gz MTNRZIUDAORMKO-HNAYVOBHSA-N 2 0 340.471 2.477 10 0 EEAERP Cc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001483436824 1190480230 /nfs/dbraw/zinc/48/02/30/1190480230.db2.gz KQAATXPCWGGFET-YOEHRIQHSA-N 2 0 332.423 2.490 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483484115 1190503413 /nfs/dbraw/zinc/50/34/13/1190503413.db2.gz IWWXLWWHOSHIGG-ZWKOTPCHSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cncc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCCCC2)c1 ZINC001409790427 1190623109 /nfs/dbraw/zinc/62/31/09/1190623109.db2.gz RATMJBWYBUTKJQ-GOSISDBHSA-N 2 0 344.503 2.250 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001483916870 1191115437 /nfs/dbraw/zinc/11/54/37/1191115437.db2.gz RXWWIAYFHVLYHI-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001483916869 1191115492 /nfs/dbraw/zinc/11/54/92/1191115492.db2.gz RXWWIAYFHVLYHI-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484123549 1191222877 /nfs/dbraw/zinc/22/28/77/1191222877.db2.gz BGSRRHIHCDXCGQ-ZGRWHYIRSA-N 2 0 327.900 2.443 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001484162297 1191250299 /nfs/dbraw/zinc/25/02/99/1191250299.db2.gz ZFERALFWGRILJP-FMKPAKJESA-N 2 0 349.441 2.497 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)cn1)C2 ZINC001484318853 1191302639 /nfs/dbraw/zinc/30/26/39/1191302639.db2.gz SOKRDCZMOQPNQW-QGTPRVQTSA-N 2 0 348.466 2.032 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001484348181 1191313461 /nfs/dbraw/zinc/31/34/61/1191313461.db2.gz SSOJVPNNXVMLLX-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF ZINC001484467632 1191372273 /nfs/dbraw/zinc/37/22/73/1191372273.db2.gz MSJQWOPZENXWRV-IRXDYDNUSA-N 2 0 325.472 2.287 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001484521444 1191396640 /nfs/dbraw/zinc/39/66/40/1191396640.db2.gz RSCXCUPAEVGYHO-HKFKDHPASA-N 2 0 327.900 2.297 10 0 EEAERP COC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001484553526 1191411948 /nfs/dbraw/zinc/41/19/48/1191411948.db2.gz GQJKMCAKGRESGR-MRXNPFEDSA-N 2 0 347.503 2.254 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccn2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001484638760 1191454053 /nfs/dbraw/zinc/45/40/53/1191454053.db2.gz IAIHKOAGZCTILK-UHFFFAOYSA-N 2 0 342.487 2.086 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001484716535 1191480641 /nfs/dbraw/zinc/48/06/41/1191480641.db2.gz LXYVRKHMRSLUFN-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001484772119 1191514693 /nfs/dbraw/zinc/51/46/93/1191514693.db2.gz LXQLIFFPIKBWGB-DLBZAZTESA-N 2 0 348.491 2.082 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]Cc2nocc2C)CC1 ZINC001484818746 1191539285 /nfs/dbraw/zinc/53/92/85/1191539285.db2.gz AGJATAXZUXRGKX-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCOC)C2)C1)[NH+](CC)CC ZINC001484832196 1191545837 /nfs/dbraw/zinc/54/58/37/1191545837.db2.gz SKBMVFJBFDZVID-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001484849722 1191548165 /nfs/dbraw/zinc/54/81/65/1191548165.db2.gz YZWHCBLYVKUWCW-LJQANCHMSA-N 2 0 341.540 2.098 10 0 EEAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001484918488 1191574883 /nfs/dbraw/zinc/57/48/83/1191574883.db2.gz JLKUANWPCZUDGM-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001485176232 1191677464 /nfs/dbraw/zinc/67/74/64/1191677464.db2.gz VAYXAYRWPTWJCR-HZPDHXFCSA-N 2 0 349.523 2.058 10 0 EEAERP CCOCCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349402 1191750096 /nfs/dbraw/zinc/75/00/96/1191750096.db2.gz FRYSGDIQRJQQDK-CRAIPNDOSA-N 2 0 345.503 2.062 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@@H](C)c2cnccn2)CCCCC1 ZINC001485456383 1191792335 /nfs/dbraw/zinc/79/23/35/1191792335.db2.gz QRLQUYSORQJYLO-INIZCTEOSA-N 2 0 347.507 2.288 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@@]23CCC[C@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC001486159930 1193705929 /nfs/dbraw/zinc/70/59/29/1193705929.db2.gz LJOPSHIFOVPLJQ-UYAOXDASSA-N 2 0 349.519 2.011 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1cc(C)no1)CC2 ZINC001486159686 1193706035 /nfs/dbraw/zinc/70/60/35/1193706035.db2.gz JLVHPUPGDGFLGX-HKUYNNGSSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC001486241182 1193767664 /nfs/dbraw/zinc/76/76/64/1193767664.db2.gz STXNNTBIKOXIGT-UONOGXRCSA-N 2 0 331.451 2.200 10 0 EEAERP CCOCC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001486244921 1193771156 /nfs/dbraw/zinc/77/11/56/1193771156.db2.gz PKEDVVPYRUQCEV-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001486246571 1193773096 /nfs/dbraw/zinc/77/30/96/1193773096.db2.gz NFIFCCMCYABUFR-SFHVURJKSA-N 2 0 347.503 2.234 10 0 EEAERP CC1CC[NH+](CC(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)CC1 ZINC001486491191 1194003745 /nfs/dbraw/zinc/00/37/45/1194003745.db2.gz POXMVSWSDDAOST-UHFFFAOYSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccncc1Cl ZINC001273203188 1197508183 /nfs/dbraw/zinc/50/81/83/1197508183.db2.gz HTJRGDZJTPQMMY-CYBMUJFWSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)cs1 ZINC001273204962 1197530314 /nfs/dbraw/zinc/53/03/14/1197530314.db2.gz QASQIQQYETYKSQ-AWEZNQCLSA-N 2 0 338.521 2.312 10 0 EEAERP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCOC1 ZINC000872021992 1198027929 /nfs/dbraw/zinc/02/79/29/1198027929.db2.gz HISZKXXNPXTQFB-MSOLQXFVSA-N 2 0 332.492 2.128 10 0 EEAERP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155987 1198062571 /nfs/dbraw/zinc/06/25/71/1198062571.db2.gz BZRNINBQIDZIQK-BFYDXBDKSA-N 2 0 328.522 2.041 10 0 EEAERP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000872204840 1198084880 /nfs/dbraw/zinc/08/48/80/1198084880.db2.gz HQYSKERSQPWAAP-BHIYHBOVSA-N 2 0 334.504 2.399 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CCC(C)([NH+](C)C)CC1 ZINC000865261319 1198145090 /nfs/dbraw/zinc/14/50/90/1198145090.db2.gz QWMLEANHZCIEPH-CKDBGZEDSA-N 2 0 326.554 2.198 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2ccc(Cl)s2)CCN1C(=O)CC[NH+](C)C ZINC001410859186 1198503626 /nfs/dbraw/zinc/50/36/26/1198503626.db2.gz QOQQGTUTPULRLZ-YPMHNXCESA-N 2 0 329.897 2.432 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC001410890600 1198544222 /nfs/dbraw/zinc/54/42/22/1198544222.db2.gz STYCEUNASWAJBQ-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001410909442 1198575797 /nfs/dbraw/zinc/57/57/97/1198575797.db2.gz NJJLMDAALUSQPF-UYAOXDASSA-N 2 0 344.503 2.343 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1C ZINC001411068749 1198751914 /nfs/dbraw/zinc/75/19/14/1198751914.db2.gz LWBQFWTXLXSEEX-WMZOPIPTSA-N 2 0 347.503 2.424 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001273428637 1198812416 /nfs/dbraw/zinc/81/24/16/1198812416.db2.gz WSZAJGLUAPWAJW-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000825732796 1198899433 /nfs/dbraw/zinc/89/94/33/1198899433.db2.gz XYUYHYLKUOXVSD-PLNGDYQASA-N 2 0 343.431 2.438 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001411223325 1198934118 /nfs/dbraw/zinc/93/41/18/1198934118.db2.gz LWUWSHRQLPRRLA-CYBMUJFWSA-N 2 0 326.510 2.104 10 0 EEAERP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001411230938 1198942357 /nfs/dbraw/zinc/94/23/57/1198942357.db2.gz QYRZHTDJFLJTQD-CQSZACIVSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CC1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC000810677236 1199658091 /nfs/dbraw/zinc/65/80/91/1199658091.db2.gz IXJNLMZTPMTYAZ-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CCCSC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870020326 1200410986 /nfs/dbraw/zinc/41/09/86/1200410986.db2.gz MIUJVQWRORKTNN-HZPDHXFCSA-N 2 0 343.581 2.496 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccccc2F)C[C@H]1C[NH+](C)C ZINC000870024812 1200414243 /nfs/dbraw/zinc/41/42/43/1200414243.db2.gz USGRRLJQHCZSOU-CZDHMLMNSA-N 2 0 333.451 2.037 10 0 EEAERP C[NH+](C)CCCCC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870189624 1200544465 /nfs/dbraw/zinc/54/44/65/1200544465.db2.gz NEPHBCGYFSDJMX-UHFFFAOYSA-N 2 0 331.504 2.498 10 0 EEAERP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000870853165 1200912282 /nfs/dbraw/zinc/91/22/82/1200912282.db2.gz UCZKGFONEKCQTJ-LSDHHAIUSA-N 2 0 348.516 2.214 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870880333 1200928623 /nfs/dbraw/zinc/92/86/23/1200928623.db2.gz ZLWBVNUMAOEEAE-KGLIPLIRSA-N 2 0 340.265 2.002 10 0 EEAERP CC1(C)[C@@H](O)CC[NH+]1Cc1cccc(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000812868464 1200973836 /nfs/dbraw/zinc/97/38/36/1200973836.db2.gz WMWAFISXCCFNTE-ROUUACIJSA-N 2 0 332.488 2.377 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCCOC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001274087901 1204365514 /nfs/dbraw/zinc/36/55/14/1204365514.db2.gz DWRJPUZCYSOTFZ-YAUKXXINSA-N 2 0 349.519 2.082 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001274318624 1204995843 /nfs/dbraw/zinc/99/58/43/1204995843.db2.gz RCRYEMPHDWZIGR-AATRIKPKSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC001274369963 1205011922 /nfs/dbraw/zinc/01/19/22/1205011922.db2.gz SRHYOEOETSTYCH-BDUNBXCCSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC001274369964 1205012137 /nfs/dbraw/zinc/01/21/37/1205012137.db2.gz SRHYOEOETSTYCH-CHYADLBTSA-N 2 0 329.488 2.407 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001275022897 1205236525 /nfs/dbraw/zinc/23/65/25/1205236525.db2.gz OBKLHSPTXCOZGH-CYBMUJFWSA-N 2 0 341.858 2.212 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275480081 1205378783 /nfs/dbraw/zinc/37/87/83/1205378783.db2.gz FRGOGWTYNJQYGO-CHWSQXEVSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275928206 1205590039 /nfs/dbraw/zinc/59/00/39/1205590039.db2.gz GZPSYTOVYMBKQF-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001276226360 1205843749 /nfs/dbraw/zinc/84/37/49/1205843749.db2.gz DWSHAHMQLYBFGH-PBHICJAKSA-N 2 0 333.467 2.385 10 0 EEAERP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924972130 1206056820 /nfs/dbraw/zinc/05/68/20/1206056820.db2.gz WMTBVRNBWFGQPU-HZPDHXFCSA-N 2 0 332.488 2.404 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000925567818 1206129653 /nfs/dbraw/zinc/12/96/53/1206129653.db2.gz LMCPAQHJFLUTKR-NWANDNLSSA-N 2 0 344.377 2.305 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCCN2C(=O)COc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925575642 1206130959 /nfs/dbraw/zinc/13/09/59/1206130959.db2.gz SJQLZNOPDDWIKY-CCKFTAQKSA-N 2 0 343.471 2.168 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)C12CCC2 ZINC000925654985 1206140724 /nfs/dbraw/zinc/14/07/24/1206140724.db2.gz SWCNMGJTMUKXEX-CHWSQXEVSA-N 2 0 327.270 2.285 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925715899 1206146133 /nfs/dbraw/zinc/14/61/33/1206146133.db2.gz JVQHFBXXGSXHJD-IBGZPJMESA-N 3 0 346.519 2.047 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)[NH2+]2 ZINC000925735083 1206147649 /nfs/dbraw/zinc/14/76/49/1206147649.db2.gz SGOTXOKTCIVFCR-ZGNWYHJTSA-N 2 0 334.485 2.110 10 0 EEAERP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)n(C)c1C ZINC000925770965 1206152643 /nfs/dbraw/zinc/15/26/43/1206152643.db2.gz YCZLNQNXVGRKQV-LLVKDONJSA-N 2 0 330.432 2.133 10 0 EEAERP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCN1CCC([NH3+])CC1)CC3 ZINC000925810791 1206156452 /nfs/dbraw/zinc/15/64/52/1206156452.db2.gz GCCFSKUDCAPLGA-MRXNPFEDSA-N 2 0 326.488 2.346 10 0 EEAERP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841329 1206159109 /nfs/dbraw/zinc/15/91/09/1206159109.db2.gz OHFHSCVAPZUJEQ-JNAXZKDPSA-N 2 0 341.455 2.183 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(C)c1 ZINC000925848349 1206160199 /nfs/dbraw/zinc/16/01/99/1206160199.db2.gz GDCJAGCXIQCDOT-GOEBONIOSA-N 2 0 332.444 2.340 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1 ZINC000928085272 1206337337 /nfs/dbraw/zinc/33/73/37/1206337337.db2.gz HJAWZEMFPOPBBE-KURKYZTESA-N 2 0 347.528 2.375 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000928828397 1206424861 /nfs/dbraw/zinc/42/48/61/1206424861.db2.gz AQQRFKYGHHRKQQ-SFHVURJKSA-N 2 0 330.476 2.065 10 0 EEAERP C[C@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCCCCC1 ZINC000928834432 1206425890 /nfs/dbraw/zinc/42/58/90/1206425890.db2.gz GTCGEPDEPAHUSN-AEFFLSMTSA-N 2 0 332.492 2.455 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCn3cncn3)cc2)C[C@H](C)O1 ZINC000930858597 1206588227 /nfs/dbraw/zinc/58/82/27/1206588227.db2.gz OENPBDICLQMPLF-CALCHBBNSA-N 2 0 343.475 2.019 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000778642598 1208312534 /nfs/dbraw/zinc/31/25/34/1208312534.db2.gz YZXCOBIFIRDODN-MSOLQXFVSA-N 2 0 340.508 2.397 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001490876493 1211958877 /nfs/dbraw/zinc/95/88/77/1211958877.db2.gz GFGNHWNOYQNOSW-FHWLQOOXSA-N 2 0 329.488 2.259 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)c2ccccc2C)CC1 ZINC000796576061 1221420431 /nfs/dbraw/zinc/42/04/31/1221420431.db2.gz RNEQIYNOTKYSHQ-GOSISDBHSA-N 2 0 327.428 2.254 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+]2CCCC2)cc1 ZINC000900435377 1234353333 /nfs/dbraw/zinc/35/33/33/1234353333.db2.gz MINMDZITCBRZCT-GOSISDBHSA-N 2 0 327.472 2.344 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(F)(F)C(F)F ZINC000900481530 1234402289 /nfs/dbraw/zinc/40/22/89/1234402289.db2.gz RLEMWVJPWYTESR-LBPRGKRZSA-N 2 0 341.393 2.151 10 0 EEAERP CC[N@H+](CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)CC1CC1 ZINC000901309689 1235522182 /nfs/dbraw/zinc/52/21/82/1235522182.db2.gz WLYKRHYBDAJDHM-UHFFFAOYSA-N 2 0 333.520 2.443 10 0 EEAERP COc1ncc(Br)cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498482 1240681333 /nfs/dbraw/zinc/68/13/33/1240681333.db2.gz HJDGPGZRSAJUQV-GHMZBOCLSA-N 2 0 328.254 2.269 10 0 EEAERP CCCC[N@H+](C)CC1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903880011 1242295845 /nfs/dbraw/zinc/29/58/45/1242295845.db2.gz MNWBICPIULCKQB-SFHVURJKSA-N 2 0 348.539 2.147 10 0 EEAERP O=C(c1ccsc1)N1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903885936 1242321506 /nfs/dbraw/zinc/32/15/06/1242321506.db2.gz MDFKJCZCTXODEL-ZXFUBFMLSA-N 2 0 333.501 2.427 10 0 EEAERP CCOCCC1(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000903919882 1242494608 /nfs/dbraw/zinc/49/46/08/1242494608.db2.gz FWGKMVBXDNQEOO-MRXNPFEDSA-N 2 0 335.496 2.279 10 0 EEAERP C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903930022 1242541921 /nfs/dbraw/zinc/54/19/21/1242541921.db2.gz QIGSIBDGQFUBKN-PBHICJAKSA-N 2 0 331.439 2.405 10 0 EEAERP CC[C@@H](OCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903932275 1242552666 /nfs/dbraw/zinc/55/26/66/1242552666.db2.gz QBWXWGZPUINXJM-PKOBYXMFSA-N 2 0 343.475 2.460 10 0 EEAERP O=C(NCc1ccccc1)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903932899 1242556138 /nfs/dbraw/zinc/55/61/38/1242556138.db2.gz XEQUBPITUQHMRI-HRVKUGKESA-N 2 0 327.472 2.155 10 0 EEAERP COc1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000903959647 1242731095 /nfs/dbraw/zinc/73/10/95/1242731095.db2.gz LIKQYLPKZYYBLT-IBGZPJMESA-N 2 0 332.444 2.432 10 0 EEAERP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cnc12 ZINC000903968472 1242784820 /nfs/dbraw/zinc/78/48/20/1242784820.db2.gz WQZUYUNIUHSUML-NEPJUHHUSA-N 2 0 337.265 2.350 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001491025596 1258583945 /nfs/dbraw/zinc/58/39/45/1258583945.db2.gz BVECTLOPBOMKKE-KSZLIROESA-N 2 0 347.478 2.479 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001491080560 1258646765 /nfs/dbraw/zinc/64/67/65/1258646765.db2.gz PVFYZUUJBKUMQZ-GASCZTMLSA-N 2 0 336.505 2.064 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001491150950 1258729379 /nfs/dbraw/zinc/72/93/79/1258729379.db2.gz AWHFHNLFBDXQGQ-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CC[C@@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC001491156245 1258732852 /nfs/dbraw/zinc/73/28/52/1258732852.db2.gz JRVIGZNUGKRXKG-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491169944 1258737961 /nfs/dbraw/zinc/73/79/61/1258737961.db2.gz HYODKSRSMUDXOD-CQSZACIVSA-N 2 0 337.430 2.499 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001491297934 1258921886 /nfs/dbraw/zinc/92/18/86/1258921886.db2.gz AQNDODOVRRNAOT-ZWKOTPCHSA-N 2 0 344.503 2.203 10 0 EEAERP CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001491330993 1258965158 /nfs/dbraw/zinc/96/51/58/1258965158.db2.gz UQLNLAZCQLRDSZ-FQBWVUSXSA-N 2 0 333.520 2.486 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\c1ccccc1 ZINC001491457191 1259100997 /nfs/dbraw/zinc/10/09/97/1259100997.db2.gz OCKQOHSWVJGCKS-BXOXOBTFSA-N 2 0 327.472 2.136 10 0 EEAERP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC1CC(C)(C)C1 ZINC001491523465 1259169715 /nfs/dbraw/zinc/16/97/15/1259169715.db2.gz QBTSHIZMWCVVRE-CQSZACIVSA-N 2 0 341.459 2.411 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ncccc2C)[C@@H]1CC)[NH+](C)C ZINC001489132941 1290391554 /nfs/dbraw/zinc/39/15/54/1290391554.db2.gz MPOWOKQJDQIKFV-JQHSSLGASA-N 2 0 332.492 2.199 10 0 EEAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001489325513 1290510233 /nfs/dbraw/zinc/51/02/33/1290510233.db2.gz GMSJLXMDSDMSMN-IYZIGIFBSA-N 2 0 339.911 2.394 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001489311777 1290539847 /nfs/dbraw/zinc/53/98/47/1290539847.db2.gz MTPYEXIWZXOJHG-ZBFHGGJFSA-N 2 0 343.462 2.487 10 0 EEAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCc1cccs1 ZINC001490343287 1291159486 /nfs/dbraw/zinc/15/94/86/1291159486.db2.gz OGSXRBDPFIWUIP-UHFFFAOYSA-N 2 0 337.533 2.461 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC[C@@H]2CCCO2)C1 ZINC001490782960 1291728514 /nfs/dbraw/zinc/72/85/14/1291728514.db2.gz MHADRUPTYFPXED-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)C(C)(C)C)C2)ccn1 ZINC000856584468 1293571085 /nfs/dbraw/zinc/57/10/85/1293571085.db2.gz KQKYVHMZRULLMR-ROUUACIJSA-N 2 0 335.492 2.393 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(O)CCCC3)C2)ccn1 ZINC000856590669 1293574126 /nfs/dbraw/zinc/57/41/26/1293574126.db2.gz YJHLCKSXFFTSME-GOSISDBHSA-N 2 0 333.476 2.292 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCCC[C@H]3O)C2)ccn1 ZINC000856594311 1293576455 /nfs/dbraw/zinc/57/64/55/1293576455.db2.gz VCWQDPHYGDDZML-IPMKNSEASA-N 2 0 333.476 2.290 10 0 EEAERP OC1(C[NH2+][C@H]2CCCc3cn[nH]c32)CC[NH+](Cc2ccccc2)CC1 ZINC000857869328 1293936329 /nfs/dbraw/zinc/93/63/29/1293936329.db2.gz MYQDPEHNUJNPAN-SFHVURJKSA-N 2 0 340.471 2.404 10 0 EEAERP CC1(C)[C@H](O)CC[NH+]1CC[Si](C)(C)CC[N@H+]1CC[C@@H](O)C1(C)C ZINC000859311375 1294388242 /nfs/dbraw/zinc/38/82/42/1294388242.db2.gz XVQXOMLKEXGNME-HZPDHXFCSA-N 2 0 342.600 2.385 10 0 EEAERP CSc1ccccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549809 1296329107 /nfs/dbraw/zinc/32/91/07/1296329107.db2.gz RSQINIISKIPOPY-CVEARBPZSA-N 2 0 347.484 2.166 10 0 EEAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC000931380825 1297167439 /nfs/dbraw/zinc/16/74/39/1297167439.db2.gz RSZIAJSLUSRUAE-ZWKOTPCHSA-N 2 0 340.508 2.256 10 0 EEAERP CCc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548412 1301458072 /nfs/dbraw/zinc/45/80/72/1301458072.db2.gz OECSMUPPJQCJOA-ZDUSSCGKSA-N 2 0 336.480 2.014 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cc(C)no2)CC[N@@H+]1C ZINC001277193599 1301750497 /nfs/dbraw/zinc/75/04/97/1301750497.db2.gz JRIYBWHSLRDYSQ-XOKHGSTOSA-N 2 0 336.480 2.088 10 0 EEAERP COC[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001277227305 1301919169 /nfs/dbraw/zinc/91/91/69/1301919169.db2.gz IQYNOYNXTYTYTR-UONOGXRCSA-N 2 0 332.448 2.166 10 0 EEAERP C[C@H](CCC[NH2+]C[C@@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277329414 1302446224 /nfs/dbraw/zinc/44/62/24/1302446224.db2.gz RBZVRGQXWVILOX-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355593 1302608667 /nfs/dbraw/zinc/60/86/67/1302608667.db2.gz KLZGAZOCKPJCNF-GJZGRUSLSA-N 2 0 344.459 2.154 10 0 EEAERP CCCCC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001277398022 1302850097 /nfs/dbraw/zinc/85/00/97/1302850097.db2.gz ATSCUJOMKCFYRJ-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCCC1CCOCC1 ZINC001277771033 1304379450 /nfs/dbraw/zinc/37/94/50/1304379450.db2.gz KXAQPTYAXROKLO-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278414595 1310158218 /nfs/dbraw/zinc/15/82/18/1310158218.db2.gz SFBMAFHGSKYKOE-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Cl)n1 ZINC000841849898 1315622977 /nfs/dbraw/zinc/62/29/77/1315622977.db2.gz OOIOCDYHZRBDTA-SPWCGHHHSA-N 2 0 336.867 2.019 10 0 EEAERP CC(C)OCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001278597938 1317319434 /nfs/dbraw/zinc/31/94/34/1317319434.db2.gz DRMNJPSQIHYTBO-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC001261283532 1322058275 /nfs/dbraw/zinc/05/82/75/1322058275.db2.gz ZRACMZWBKOPIOW-IBGZPJMESA-N 2 0 331.504 2.363 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001264121917 1322633639 /nfs/dbraw/zinc/63/36/39/1322633639.db2.gz CDHSIFJJUFSKBP-KRWDZBQOSA-N 2 0 341.540 2.362 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264678090 1322779573 /nfs/dbraw/zinc/77/95/73/1322779573.db2.gz OVZCFHSSXLNTCV-CVEARBPZSA-N 2 0 333.467 2.387 10 0 EEAERP Cc1cccc(OCC[NH+](C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001264987560 1322836619 /nfs/dbraw/zinc/83/66/19/1322836619.db2.gz BSJMSXSSKQYACE-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP CCOCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001265481646 1323177264 /nfs/dbraw/zinc/17/72/64/1323177264.db2.gz QDMIIIUYSOHMPW-JFIYKMOQSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265656200 1323302160 /nfs/dbraw/zinc/30/21/60/1323302160.db2.gz YBBTXFZDUNTWOG-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CCCOC ZINC001265697381 1323331000 /nfs/dbraw/zinc/33/10/00/1323331000.db2.gz RUTPANQOZNAJRR-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1cnc(C)cn1 ZINC001266048952 1323598937 /nfs/dbraw/zinc/59/89/37/1323598937.db2.gz BNZKIXVOZQDJJB-MRXNPFEDSA-N 2 0 347.507 2.159 10 0 EEAERP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001266149575 1323719236 /nfs/dbraw/zinc/71/92/36/1323719236.db2.gz ZGYCANAEIHFYJX-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1 ZINC001266155516 1323724963 /nfs/dbraw/zinc/72/49/63/1323724963.db2.gz ONXFEFPXSHUEKP-FUHWJXTLSA-N 2 0 333.476 2.034 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)sn1 ZINC001280172732 1324103337 /nfs/dbraw/zinc/10/33/37/1324103337.db2.gz IMCOZKJYIMRFBU-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280172474 1324103403 /nfs/dbraw/zinc/10/34/03/1324103403.db2.gz GPYPSDMQKIZTEH-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001280198698 1324110377 /nfs/dbraw/zinc/11/03/77/1324110377.db2.gz VVJQHHDEAAQNIP-FUHWJXTLSA-N 2 0 344.503 2.060 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cncs1 ZINC001281686191 1325401315 /nfs/dbraw/zinc/40/13/15/1325401315.db2.gz NZEUHNRSWIRIAQ-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001281770479 1325445041 /nfs/dbraw/zinc/44/50/41/1325445041.db2.gz LRNJXJVZOGVWFR-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CCC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001282582383 1325744918 /nfs/dbraw/zinc/74/49/18/1325744918.db2.gz UUVLJTNYDBHTJB-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001282799839 1325790058 /nfs/dbraw/zinc/79/00/58/1325790058.db2.gz FLKQOHOKPHUHID-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC001282992017 1325870806 /nfs/dbraw/zinc/87/08/06/1325870806.db2.gz FLTBXJUKBRVLLA-IGTBDSCVSA-N 2 0 344.503 2.489 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCc2ccsc2)C1)C12CC[NH+](CC1)C2 ZINC001283101213 1325919505 /nfs/dbraw/zinc/91/95/05/1325919505.db2.gz GTGVODSLRJOWHT-QAQDUYKDSA-N 2 0 347.528 2.261 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001283493110 1326097286 /nfs/dbraw/zinc/09/72/86/1326097286.db2.gz MOPROBAOTQTOKZ-VQTJNVASSA-N 2 0 343.515 2.458 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001283937788 1326328434 /nfs/dbraw/zinc/32/84/34/1326328434.db2.gz DVNAYVMORBNXBT-PKOBYXMFSA-N 2 0 329.488 2.294 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001284212792 1326462296 /nfs/dbraw/zinc/46/22/96/1326462296.db2.gz UOAPHAPDKRNLBJ-QWHCGFSZSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCOC2CCC2)C(C)(C)C)C1 ZINC001284625702 1326636356 /nfs/dbraw/zinc/63/63/56/1326636356.db2.gz RNNXWIMRZSJISZ-DOTOQJQBSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001491640153 1330194089 /nfs/dbraw/zinc/19/40/89/1330194089.db2.gz IRLASEMTCODINO-HNNXBMFYSA-N 2 0 327.472 2.254 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001491603155 1330200644 /nfs/dbraw/zinc/20/06/44/1330200644.db2.gz RIYXWMTWOJBTRY-DOTOQJQBSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491685842 1330205642 /nfs/dbraw/zinc/20/56/42/1330205642.db2.gz ZHIIGSWQAIUMID-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCc1ccccc1 ZINC001492119610 1330489292 /nfs/dbraw/zinc/48/92/92/1330489292.db2.gz OKOLBJJWPTXYIC-XLIONFOSSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001492128188 1330981680 /nfs/dbraw/zinc/98/16/80/1330981680.db2.gz LRNJXJVZOGVWFR-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001492175092 1331053286 /nfs/dbraw/zinc/05/32/86/1331053286.db2.gz BVAGWQAGTVIDCE-MSOLQXFVSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316688818 1331339777 /nfs/dbraw/zinc/33/97/77/1331339777.db2.gz RHQYPJBRCMSALK-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cc(C)no1 ZINC001316899383 1331964878 /nfs/dbraw/zinc/96/48/78/1331964878.db2.gz LPSKHPZMURFSSB-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317157468 1332104231 /nfs/dbraw/zinc/10/42/31/1332104231.db2.gz JNASFBOOEFOMBU-CYBMUJFWSA-N 2 0 336.307 2.475 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001317307563 1332173061 /nfs/dbraw/zinc/17/30/61/1332173061.db2.gz FUYWJGBYAHSLBN-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1C ZINC001317664614 1332358964 /nfs/dbraw/zinc/35/89/64/1332358964.db2.gz LGNGGZWMKXAQIX-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC001318442738 1332534546 /nfs/dbraw/zinc/53/45/46/1332534546.db2.gz MNYUCJYYMRKZKT-OAHLLOKOSA-N 2 0 338.883 2.110 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001318802362 1332599881 /nfs/dbraw/zinc/59/98/81/1332599881.db2.gz ASJAMWXVJVHPDK-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)nc1 ZINC001318978660 1332631861 /nfs/dbraw/zinc/63/18/61/1332631861.db2.gz GVVJYYWGRRIGSR-QAQDUYKDSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001319111256 1332650931 /nfs/dbraw/zinc/65/09/31/1332650931.db2.gz DMLFMRZZUUNMNT-AZUAARDMSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)CCC[NH+](C)C ZINC001319524415 1332716176 /nfs/dbraw/zinc/71/61/76/1332716176.db2.gz VPTKWDJHTBMPBD-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP C[C@@H]([NH2+]CCF)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001319830217 1332778656 /nfs/dbraw/zinc/77/86/56/1332778656.db2.gz CWUYBILHEJQAFS-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001320187280 1332845719 /nfs/dbraw/zinc/84/57/19/1332845719.db2.gz UVQJUYKBVABNLY-MOPGFXCFSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320548879 1332907642 /nfs/dbraw/zinc/90/76/42/1332907642.db2.gz NNWJCFAMYAWSCF-MRXNPFEDSA-N 2 0 334.508 2.352 10 0 EEAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001320830050 1332961101 /nfs/dbraw/zinc/96/11/01/1332961101.db2.gz LODFPAQQZDQBFT-YFHOEESVSA-N 2 0 329.488 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320928104 1332981095 /nfs/dbraw/zinc/98/10/95/1332981095.db2.gz GFFPQNSUQCGHDT-HOTGVXAUSA-N 2 0 332.492 2.201 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320928394 1332981114 /nfs/dbraw/zinc/98/11/14/1332981114.db2.gz JHGZPMPBPDXILS-UHFFFAOYSA-N 2 0 346.500 2.457 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001321187194 1333039696 /nfs/dbraw/zinc/03/96/96/1333039696.db2.gz SHPBCNHQOPRXDD-PLNGDYQASA-N 2 0 345.487 2.332 10 0 EEAERP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321209414 1333045344 /nfs/dbraw/zinc/04/53/44/1333045344.db2.gz OQGTWKCZTBCLII-MYOVTOPRSA-N 2 0 337.508 2.080 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)cn2)CC1 ZINC001321315644 1333072148 /nfs/dbraw/zinc/07/21/48/1333072148.db2.gz PCMOHZSSWLWQJL-ONEGZZNKSA-N 2 0 348.466 2.103 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321416232 1333098668 /nfs/dbraw/zinc/09/86/68/1333098668.db2.gz HKOJLEHANAMTPR-KOABKASLSA-N 2 0 336.505 2.086 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1nccs1 ZINC001322724244 1333314339 /nfs/dbraw/zinc/31/43/39/1333314339.db2.gz PFGHUTXJQDTOFU-OAHLLOKOSA-N 2 0 338.521 2.344 10 0 EEAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001322793924 1333327527 /nfs/dbraw/zinc/32/75/27/1333327527.db2.gz YAURURUAMMMSJF-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324944254 1333792853 /nfs/dbraw/zinc/79/28/53/1333792853.db2.gz PYQFSCBNELHJMB-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001325759999 1333955298 /nfs/dbraw/zinc/95/52/98/1333955298.db2.gz CLWICBFZZFRMBI-QCUYKYDPSA-N 2 0 333.520 2.465 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001326429358 1334092575 /nfs/dbraw/zinc/09/25/75/1334092575.db2.gz CWRLWMYHCPZUMZ-GOSISDBHSA-N 2 0 329.488 2.419 10 0 EEAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001328399652 1334454201 /nfs/dbraw/zinc/45/42/01/1334454201.db2.gz GVFPIGUQHIKWRL-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cccc(Cl)n1)C(=O)CC[NH+](C)C ZINC001329327695 1334627979 /nfs/dbraw/zinc/62/79/79/1334627979.db2.gz FRUWNBRCGOGQFD-UHFFFAOYSA-N 2 0 340.899 2.261 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCOC(C)C)C2)[NH+](C)C ZINC001330512249 1334861467 /nfs/dbraw/zinc/86/14/67/1334861467.db2.gz OHSPVNFOWOUDBR-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001330613289 1334877642 /nfs/dbraw/zinc/87/76/42/1334877642.db2.gz MFAVMAMBUHOMQM-OBJOEFQTSA-N 2 0 336.307 2.376 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@H]3CCCC3(F)F)C2)C1 ZINC001330700801 1334888788 /nfs/dbraw/zinc/88/87/88/1334888788.db2.gz WETFINLNCXWSPV-KLHDSHLOSA-N 2 0 343.462 2.248 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)oc1C ZINC001330912155 1334925581 /nfs/dbraw/zinc/92/55/81/1334925581.db2.gz VIHSIQPWIDAZDM-CYBMUJFWSA-N 2 0 336.480 2.008 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CCCCCF)C(C)(C)C2)C1 ZINC001332435911 1335823990 /nfs/dbraw/zinc/82/39/90/1335823990.db2.gz BWYDDQNZSLJPTD-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCc3ccsc3)C(C)(C)C2)C1 ZINC001332440764 1335824667 /nfs/dbraw/zinc/82/46/67/1335824667.db2.gz ASOQHBPLKJOJCU-IAGOWNOFSA-N 2 0 349.544 2.459 10 0 EEAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC[C@H]1CCCO1)C(C)(C)C)C1CCC1 ZINC001332804119 1335910124 /nfs/dbraw/zinc/91/01/24/1335910124.db2.gz BGVQELAPHRYRMR-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccc(Cl)n1)C(C)(C)C ZINC001332857250 1335919844 /nfs/dbraw/zinc/91/98/44/1335919844.db2.gz LPSJBTLYQXGBBK-AWEZNQCLSA-N 2 0 340.899 2.307 10 0 EEAERP Cc1nccn1-c1cc[nH+]cc1NC(=O)/C=C/COC1CCOCC1 ZINC001348550282 1337559992 /nfs/dbraw/zinc/55/99/92/1337559992.db2.gz RRJKPBIVQVZODO-NSCUHMNNSA-N 2 0 342.399 2.266 10 0 EEAERP Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH+](C)C)c(C)n1 ZINC001480324964 1338002229 /nfs/dbraw/zinc/00/22/29/1338002229.db2.gz SBTUBGGLUWQYLH-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847409456 1338039554 /nfs/dbraw/zinc/03/95/54/1338039554.db2.gz NURMXCDYYSXAPV-KDURUIRLSA-N 2 0 346.519 2.143 10 0 EEAERP C[C@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000849095817 1338838440 /nfs/dbraw/zinc/83/84/40/1338838440.db2.gz OMEVJZGDOMVMHU-FUHWJXTLSA-N 2 0 330.476 2.144 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)cc1 ZINC000849095144 1338839022 /nfs/dbraw/zinc/83/90/22/1338839022.db2.gz LIJTVFCVYQGXHW-MRXNPFEDSA-N 2 0 348.491 2.152 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001434161069 1341781948 /nfs/dbraw/zinc/78/19/48/1341781948.db2.gz XUDZGIVMLBNLJA-IBGZPJMESA-N 2 0 341.499 2.309 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001434410497 1341840513 /nfs/dbraw/zinc/84/05/13/1341840513.db2.gz FAZVVYQIVILUQC-WCIQWLHISA-N 2 0 341.499 2.498 10 0 EEAERP CC(C)(C(=O)N1CC2(C1)CC[N@H+](C/C=C/Cl)C2)[NH+]1CCCC1 ZINC001434845910 1341963064 /nfs/dbraw/zinc/96/30/64/1341963064.db2.gz MTPSYDLNCGYYSK-FNORWQNLSA-N 2 0 325.884 2.148 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC23CC[NH+](CCCCCF)CC3)C1 ZINC001566695305 1342606241 /nfs/dbraw/zinc/60/62/41/1342606241.db2.gz YUNNRGLWPZDKCN-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001566893754 1342647761 /nfs/dbraw/zinc/64/77/61/1342647761.db2.gz NXKUBTILEGVURU-ZPCLDPMFSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001566983816 1342672669 /nfs/dbraw/zinc/67/26/69/1342672669.db2.gz AHQUTYXTHOLPGL-ABHNRTSZSA-N 2 0 339.524 2.303 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568783129 1342854486 /nfs/dbraw/zinc/85/44/86/1342854486.db2.gz NRQZCJGOYKBWSR-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001569994557 1342992977 /nfs/dbraw/zinc/99/29/77/1342992977.db2.gz JWAOAANXWZGVAJ-QGZVFWFLSA-N 2 0 344.503 2.284 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001570667278 1343099073 /nfs/dbraw/zinc/09/90/73/1343099073.db2.gz BOLBHNCXJMNTHU-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001571073084 1343161279 /nfs/dbraw/zinc/16/12/79/1343161279.db2.gz MUPPMZRTXQSWLO-ZWKOTPCHSA-N 2 0 349.519 2.034 10 0 EEAERP CC(C)OCCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001571334114 1343187242 /nfs/dbraw/zinc/18/72/42/1343187242.db2.gz MIYIZVRSOSEPIO-GOSISDBHSA-N 2 0 341.540 2.311 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001571527562 1343228842 /nfs/dbraw/zinc/22/88/42/1343228842.db2.gz ZTURXVSOXNGDPM-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP CN(CCOCC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571671943 1343269135 /nfs/dbraw/zinc/26/91/35/1343269135.db2.gz PMVPBMFJTHAJEJ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)C[NH+]1CCCC1 ZINC001676781737 1357198848 /nfs/dbraw/zinc/19/88/48/1357198848.db2.gz CVPYSRUEOHUMBZ-VQIMIIECSA-N 2 0 347.478 2.433 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001646962856 1353075891 /nfs/dbraw/zinc/07/58/91/1353075891.db2.gz KGJLOXCUVZSCBS-KZNAEPCWSA-N 2 0 336.524 2.090 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@@H]3CCCC[C@@H]3[NH3+])CCCC2)CC1 ZINC001647248744 1353206233 /nfs/dbraw/zinc/20/62/33/1353206233.db2.gz LVNDCWSLKNDAQS-SJORKVTESA-N 2 0 337.508 2.044 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccns1)C1CC[NH+](CC2CC2)CC1 ZINC001649451142 1353511957 /nfs/dbraw/zinc/51/19/57/1353511957.db2.gz LFSXWLOFRUMUKH-OWOJBTEDSA-N 2 0 348.516 2.027 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001656451798 1354238737 /nfs/dbraw/zinc/23/87/37/1354238737.db2.gz BMXJPDWGRJKWDB-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC001661441645 1354640136 /nfs/dbraw/zinc/64/01/36/1354640136.db2.gz YDVAVAWWKXYGSN-IYARVYRRSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001661512065 1354647372 /nfs/dbraw/zinc/64/73/72/1354647372.db2.gz XGETWCRYYPVUBZ-IYARVYRRSA-N 2 0 347.503 2.259 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001661976440 1354731271 /nfs/dbraw/zinc/73/12/71/1354731271.db2.gz CLOOSSGXSCTUJI-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[N@H+](CCC(=O)N1CC[C@@H](C[NH2+]CCCF)C1)C1CCCCC1 ZINC001662665581 1354823196 /nfs/dbraw/zinc/82/31/96/1354823196.db2.gz VJOYRODPGZPWPJ-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001664008258 1355073353 /nfs/dbraw/zinc/07/33/53/1355073353.db2.gz FEIHNKJKUIATJV-RBUKOAKNSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001664187534 1355110307 /nfs/dbraw/zinc/11/03/07/1355110307.db2.gz YUYQJRAOVRTPQV-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001666119735 1355457521 /nfs/dbraw/zinc/45/75/21/1355457521.db2.gz FVJCCYXORMHYAX-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001666348081 1355515878 /nfs/dbraw/zinc/51/58/78/1355515878.db2.gz YVRYRDIFKMNPDK-UHFFFAOYSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@H](C[NH2+]CCCOc1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001666981926 1355627006 /nfs/dbraw/zinc/62/70/06/1355627006.db2.gz CFFMFRCFYMRBOJ-QGZVFWFLSA-N 2 0 347.503 2.234 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001666992017 1355628441 /nfs/dbraw/zinc/62/84/41/1355628441.db2.gz JXHWNFQAVZQZPZ-QAPCUYQASA-N 2 0 345.503 2.060 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001666993014 1355629240 /nfs/dbraw/zinc/62/92/40/1355629240.db2.gz XWCHVCRQJUGURC-QZTJIDSGSA-N 2 0 331.504 2.316 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCCF)c1ccn(-c2cc[nH+]cc2)n1 ZINC001667738892 1355803826 /nfs/dbraw/zinc/80/38/26/1355803826.db2.gz QTVIMCNMUDVUEZ-GDBMZVCRSA-N 2 0 345.422 2.115 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668060672 1355859512 /nfs/dbraw/zinc/85/95/12/1355859512.db2.gz QLTNHWOLWFVHQS-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001668274807 1355914093 /nfs/dbraw/zinc/91/40/93/1355914093.db2.gz ZUTWZOIKQPEMBN-CVEARBPZSA-N 2 0 335.467 2.460 10 0 EEAERP CCN(CC[NH2+]Cc1cn(C(C)C)nc1C)C(=O)C1CC[NH+](C)CC1 ZINC001668542059 1355959781 /nfs/dbraw/zinc/95/97/81/1355959781.db2.gz JPOPSRIIGXKLHU-UHFFFAOYSA-N 2 0 349.523 2.052 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668887471 1356036320 /nfs/dbraw/zinc/03/63/20/1356036320.db2.gz LLABOIGVNVAPKR-VGOKWCNXSA-N 2 0 349.450 2.081 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC001669091427 1356091200 /nfs/dbraw/zinc/09/12/00/1356091200.db2.gz LGFYYQHSCYYZRB-WHLIDYPQSA-N 2 0 345.487 2.050 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669559387 1356175493 /nfs/dbraw/zinc/17/54/93/1356175493.db2.gz MNYDDUOAHZBYQF-KXBFYZLASA-N 2 0 347.478 2.194 10 0 EEAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001669665858 1356192352 /nfs/dbraw/zinc/19/23/52/1356192352.db2.gz YVZXQXMOCXHHKN-ZDUSSCGKSA-N 2 0 345.409 2.451 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)s1 ZINC001670162097 1356288212 /nfs/dbraw/zinc/28/82/12/1356288212.db2.gz GUZCIMQKDUKANE-UHFFFAOYSA-N 2 0 336.505 2.018 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)c2cccc(C[NH+](C)C)c2)on1 ZINC001670357666 1356326749 /nfs/dbraw/zinc/32/67/49/1356326749.db2.gz MYVCBRNAJGCOAB-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001671805034 1356417962 /nfs/dbraw/zinc/41/79/62/1356417962.db2.gz KUWLFDXNVDXRHO-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CCCCOCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001671830135 1356422803 /nfs/dbraw/zinc/42/28/03/1356422803.db2.gz MGLQAVZAVMVCEG-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672235601 1356486145 /nfs/dbraw/zinc/48/61/45/1356486145.db2.gz WDFQTWSBDSCUIQ-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001672531598 1356547584 /nfs/dbraw/zinc/54/75/84/1356547584.db2.gz XFMVLYPUNQINJC-OKZBNKHCSA-N 2 0 339.524 2.209 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001673650502 1356726999 /nfs/dbraw/zinc/72/69/99/1356726999.db2.gz JVXRLXVMQSNUEA-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCOCC1 ZINC001673732911 1356739945 /nfs/dbraw/zinc/73/99/45/1356739945.db2.gz MUNXPCWEQXYMBD-HUUCEWRRSA-N 2 0 348.491 2.204 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001674463632 1356838860 /nfs/dbraw/zinc/83/88/60/1356838860.db2.gz PVMMYXQICAEWOL-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001675153886 1356939845 /nfs/dbraw/zinc/93/98/45/1356939845.db2.gz WWZDMZQODRUTEW-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001675263524 1356954953 /nfs/dbraw/zinc/95/49/53/1356954953.db2.gz UBNNGDNMGFMQSA-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CCC[NH2+]CCCF ZINC001692122402 1404984093 /nfs/dbraw/zinc/98/40/93/1404984093.db2.gz GAGBKSQIGBIRIQ-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C\c1ccccc1 ZINC001698748548 1405042653 /nfs/dbraw/zinc/04/26/53/1405042653.db2.gz NSDNLYDTKFPQJG-HMEHFPCLSA-N 2 0 341.499 2.384 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CC[C@H]2CCCO2)ccc2c[nH+]cn21 ZINC001698754408 1405043566 /nfs/dbraw/zinc/04/35/66/1405043566.db2.gz XUZPQXYZIMDSIT-WMLDXEAASA-N 2 0 344.459 2.167 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698861299 1405117322 /nfs/dbraw/zinc/11/73/22/1405117322.db2.gz OQODLFCITZKFLX-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001698912925 1405154376 /nfs/dbraw/zinc/15/43/76/1405154376.db2.gz CMSFWENWGMLEMD-IAGOWNOFSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001698921592 1405163643 /nfs/dbraw/zinc/16/36/43/1405163643.db2.gz UTCMHAFCDOXVLA-JKSUJKDBSA-N 2 0 336.480 2.184 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012417 1405227355 /nfs/dbraw/zinc/22/73/55/1405227355.db2.gz DOTIHHLOIMWLAG-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccccc1OCCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001699825183 1405510695 /nfs/dbraw/zinc/51/06/95/1405510695.db2.gz QAQJLZUGHYNVEG-HXUWFJFHSA-N 2 0 347.503 2.296 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC000846700582 790439228 /nfs/dbraw/zinc/43/92/28/790439228.db2.gz YGEVROOLAIDYTA-FGTMMUONSA-N 2 0 337.508 2.140 10 0 EEAERP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806191 777282851 /nfs/dbraw/zinc/28/28/51/777282851.db2.gz BDMAXRGPFLFWGY-SJORKVTESA-N 2 0 330.538 2.492 10 0 EEAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000925835362 779060318 /nfs/dbraw/zinc/06/03/18/779060318.db2.gz SHWVXTLYGDCVHG-FQKPHLNHSA-N 2 0 336.398 2.233 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(Cl)n1 ZINC000817860910 785026824 /nfs/dbraw/zinc/02/68/24/785026824.db2.gz YZIVCAZRMCHLIF-WAZAZEMKSA-N 2 0 338.883 2.265 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000585121321 786524396 /nfs/dbraw/zinc/52/43/96/786524396.db2.gz LZHWDVVOHVABGW-KRWDZBQOSA-N 2 0 327.472 2.205 10 0 EEAERP COc1ccccc1C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCCO1 ZINC000923306509 789350033 /nfs/dbraw/zinc/35/00/33/789350033.db2.gz SHFAAOMPEKPCJI-ZWKOTPCHSA-N 2 0 346.471 2.055 10 0 EEAERP COc1ccc(OCCC[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923454113 789588008 /nfs/dbraw/zinc/58/80/08/789588008.db2.gz OQLZZMCFZBAGIU-GOSISDBHSA-N 2 0 334.460 2.294 10 0 EEAERP C[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923496208 789654040 /nfs/dbraw/zinc/65/40/40/789654040.db2.gz HOTMLRGDHYHRTF-FUHWJXTLSA-N 2 0 342.491 2.427 10 0 EEAERP COc1cc(-c2noc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)n2)ccc1C ZINC000923493210 789665017 /nfs/dbraw/zinc/66/50/17/789665017.db2.gz FMBFHPFBQRXYJV-UKRRQHHQSA-N 2 0 330.432 2.470 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499155 789681015 /nfs/dbraw/zinc/68/10/15/789681015.db2.gz KQTKGRDNLZRMJC-CVEARBPZSA-N 2 0 335.517 2.202 10 0 EEAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)ccc1OC ZINC000846187999 790083482 /nfs/dbraw/zinc/08/34/82/790083482.db2.gz DQUGNUNVIXOOPA-UNEWFSDZSA-N 2 0 333.476 2.452 10 0 EEAERP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687516 794106038 /nfs/dbraw/zinc/10/60/38/794106038.db2.gz MIELKEDEZAKGHF-FYQPLNBISA-N 2 0 339.483 2.489 10 0 EEAERP C[C@@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000913803006 794295927 /nfs/dbraw/zinc/29/59/27/794295927.db2.gz KQTAAAZSUCPIHR-AZUAARDMSA-N 2 0 339.483 2.063 10 0 EEAERP Cc1ccc2nc(C[NH+]3CCC([C@H]4[NH2+]CC4(C)C)CC3)cc(=O)n2c1 ZINC000952877379 796061373 /nfs/dbraw/zinc/06/13/73/796061373.db2.gz PEMZMQNIBCZLSF-LJQANCHMSA-N 2 0 340.471 2.213 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000922063398 798797655 /nfs/dbraw/zinc/79/76/55/798797655.db2.gz IHSCLJWIASMVKI-ATZDWAIDSA-N 2 0 344.503 2.289 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001566076239 1125548369 /nfs/dbraw/zinc/54/83/69/1125548369.db2.gz UKOGMQXKPNPZEF-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)[C@H](C(=O)NCCCN(C)[C@H](C)c1ncccn1)[NH+]1CCCC1 ZINC001566519869 1125691058 /nfs/dbraw/zinc/69/10/58/1125691058.db2.gz INVXKLVNJFXKKR-IAGOWNOFSA-N 2 0 347.507 2.096 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC[C@H](C)F)C2)CC1 ZINC001436411945 1087764584 /nfs/dbraw/zinc/76/45/84/1087764584.db2.gz SYHGRIBIQUUOCY-YQQAZPJKSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)o1 ZINC001436420324 1087779337 /nfs/dbraw/zinc/77/93/37/1087779337.db2.gz BDWXUJOAKAMOCN-RRQGHBQHSA-N 2 0 348.491 2.008 10 0 EEAERP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001436957205 1088645302 /nfs/dbraw/zinc/64/53/02/1088645302.db2.gz XAMMRMWKEQZLKV-FGTMMUONSA-N 2 0 345.487 2.306 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001436963227 1088654693 /nfs/dbraw/zinc/65/46/93/1088654693.db2.gz CPCYQXKBOHXSMN-HDICACEKSA-N 2 0 331.504 2.444 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001437027547 1088829710 /nfs/dbraw/zinc/82/97/10/1088829710.db2.gz CIJMKGNESQBGTD-INIZCTEOSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001437127251 1089111943 /nfs/dbraw/zinc/11/19/43/1089111943.db2.gz FEDYIAMFJBOKBX-RHSMWYFYSA-N 2 0 333.451 2.070 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437132238 1089120541 /nfs/dbraw/zinc/12/05/41/1089120541.db2.gz QERVCBYRKYQRGU-RDTXWAMCSA-N 2 0 333.451 2.070 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001437240639 1089349046 /nfs/dbraw/zinc/34/90/46/1089349046.db2.gz TZRYRYNGPZOHED-RYUDHWBXSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)co1 ZINC001437332710 1089515615 /nfs/dbraw/zinc/51/56/15/1089515615.db2.gz VWDHCJKSDITAMH-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001437406080 1089682189 /nfs/dbraw/zinc/68/21/89/1089682189.db2.gz XLDFIHCTAOELQQ-DLBZAZTESA-N 2 0 331.504 2.228 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723843 1090277104 /nfs/dbraw/zinc/27/71/04/1090277104.db2.gz FBGGWDPLNFIKNG-MAUKXSAKSA-N 2 0 325.472 2.047 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001437739521 1090299611 /nfs/dbraw/zinc/29/96/11/1090299611.db2.gz OBYAJKJUOYJXOP-QGZVFWFLSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001437940253 1090533050 /nfs/dbraw/zinc/53/30/50/1090533050.db2.gz MGYCBLICSWUIJZ-CRAIPNDOSA-N 2 0 345.478 2.387 10 0 EEAERP Cc1cccnc1C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001438005240 1090603846 /nfs/dbraw/zinc/60/38/46/1090603846.db2.gz RLXXBEPRJKOGLC-UHFFFAOYSA-N 2 0 332.492 2.012 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001438019404 1090608307 /nfs/dbraw/zinc/60/83/07/1090608307.db2.gz UYLPAYVYYOENAE-KFWWJZLASA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1c(C)noc1C ZINC001438370459 1090848714 /nfs/dbraw/zinc/84/87/14/1090848714.db2.gz GTYJPPOUVUDWKN-RDJZCZTQSA-N 2 0 336.480 2.150 10 0 EEAERP CCc1nocc1C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001438377851 1090859716 /nfs/dbraw/zinc/85/97/16/1090859716.db2.gz RDNPFNODAORXHD-WBVHZDCISA-N 2 0 336.480 2.096 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cscn1)C1CC1 ZINC001438419222 1090913601 /nfs/dbraw/zinc/91/36/01/1090913601.db2.gz JEHZYJBRSHDPTH-RDJZCZTQSA-N 2 0 336.505 2.002 10 0 EEAERP COc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001438428011 1090926039 /nfs/dbraw/zinc/92/60/39/1090926039.db2.gz FBGACGJEMOSWMK-OXQOHEQNSA-N 2 0 345.487 2.021 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](Cc3nocc3C)C2)CC1 ZINC001438464647 1090971611 /nfs/dbraw/zinc/97/16/11/1090971611.db2.gz NJJSJAIALFXJON-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001438495028 1090992524 /nfs/dbraw/zinc/99/25/24/1090992524.db2.gz WDKMQZWCIZMVEA-QRWLVFNGSA-N 2 0 343.515 2.487 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001438549780 1091042494 /nfs/dbraw/zinc/04/24/94/1091042494.db2.gz JUQCZLPIKCZVJT-QFBILLFUSA-N 2 0 346.519 2.352 10 0 EEAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCOCC1)[NH+]1CCCCCC1 ZINC001438695478 1091199222 /nfs/dbraw/zinc/19/92/22/1091199222.db2.gz QXVLZFMDXZJQOR-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)C[NH+]1CCCC1 ZINC001438724631 1091255213 /nfs/dbraw/zinc/25/52/13/1091255213.db2.gz UJFTWKDLEUCYKF-KBXCAEBGSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001438760277 1091326640 /nfs/dbraw/zinc/32/66/40/1091326640.db2.gz AUJAQQRIGGQKSS-CVEARBPZSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001445572811 1091353107 /nfs/dbraw/zinc/35/31/07/1091353107.db2.gz SFASTDLJHHBCRU-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(C)n1 ZINC001438788317 1091389185 /nfs/dbraw/zinc/38/91/85/1091389185.db2.gz FVQJTVXUFOWHGY-MSOLQXFVSA-N 2 0 332.492 2.023 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001445646931 1091437094 /nfs/dbraw/zinc/43/70/94/1091437094.db2.gz GNDVRDDARWCHEC-YWZLYKJASA-N 2 0 340.471 2.248 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445646671 1091437127 /nfs/dbraw/zinc/43/71/27/1091437127.db2.gz LRMMZBSKHALMGP-RDJZCZTQSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001445660879 1091448437 /nfs/dbraw/zinc/44/84/37/1091448437.db2.gz WQJVKQJQPQNELZ-IRXDYDNUSA-N 2 0 347.507 2.206 10 0 EEAERP C[C@@H](C[N@H+](C)CCOc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439351412 1092064434 /nfs/dbraw/zinc/06/44/34/1092064434.db2.gz FHFNIQYIXVYXGW-KRWDZBQOSA-N 2 0 347.503 2.376 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001439458171 1092235646 /nfs/dbraw/zinc/23/56/46/1092235646.db2.gz HEUPURSDSRAJDI-RTBURBONSA-N 2 0 345.462 2.152 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001446181496 1092253482 /nfs/dbraw/zinc/25/34/82/1092253482.db2.gz JFNYFMHMBFBITP-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1ccc(F)cc1 ZINC001439490578 1092310862 /nfs/dbraw/zinc/31/08/62/1092310862.db2.gz DMRHMHYNBRITHE-KBXCAEBGSA-N 2 0 333.451 2.467 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001439498032 1092330693 /nfs/dbraw/zinc/33/06/93/1092330693.db2.gz RBKWRPISLTYFGZ-HOCLYGCPSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)c(C)n1 ZINC001446252253 1092377327 /nfs/dbraw/zinc/37/73/27/1092377327.db2.gz WRCKWCDTWSMNOX-UHFFFAOYSA-N 2 0 346.519 2.415 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001439634985 1092556367 /nfs/dbraw/zinc/55/63/67/1092556367.db2.gz GPNLAQOOHJIUCT-WMLDXEAASA-N 2 0 331.460 2.089 10 0 EEAERP CCc1nocc1C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001439801977 1092758781 /nfs/dbraw/zinc/75/87/81/1092758781.db2.gz DUKSOZWMAAKXQD-UHFFFAOYSA-N 2 0 336.480 2.048 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001439857814 1092884633 /nfs/dbraw/zinc/88/46/33/1092884633.db2.gz XLGFECQHPSUNMG-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(F)(F)F ZINC001440183779 1093241472 /nfs/dbraw/zinc/24/14/72/1093241472.db2.gz CSUCNRBWEXFJDQ-ZIAGYGMSSA-N 2 0 335.414 2.346 10 0 EEAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001448457992 1093467818 /nfs/dbraw/zinc/46/78/18/1093467818.db2.gz HATVMBYXCWSNFP-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001440430221 1093632629 /nfs/dbraw/zinc/63/26/29/1093632629.db2.gz QQVPZIDSZCFLRW-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(CF)cc1 ZINC001448649193 1093714525 /nfs/dbraw/zinc/71/45/25/1093714525.db2.gz KXCVWVGMSSLSRR-HDMKZQKVSA-N 2 0 335.467 2.433 10 0 EEAERP CC[C@H](C[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1)OC ZINC001440532700 1093795214 /nfs/dbraw/zinc/79/52/14/1093795214.db2.gz RDFSZDGUWYUBAB-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001440536361 1093799104 /nfs/dbraw/zinc/79/91/04/1093799104.db2.gz OZVVZOIVSJSIES-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1cncs1 ZINC001448748692 1093818440 /nfs/dbraw/zinc/81/84/40/1093818440.db2.gz FCWPVGSVOHXWJI-CQSZACIVSA-N 2 0 346.500 2.455 10 0 EEAERP CC1CCC(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCOCC2)CC1 ZINC001440573290 1093842678 /nfs/dbraw/zinc/84/26/78/1093842678.db2.gz JPPLPPWYOUJFHQ-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP CC1([NH2+]CCc2cccs2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001440613242 1093880634 /nfs/dbraw/zinc/88/06/34/1093880634.db2.gz KLIZADJJLBNXHL-UHFFFAOYSA-N 2 0 335.517 2.357 10 0 EEAERP CC(C)[NH2+][C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449026856 1094034234 /nfs/dbraw/zinc/03/42/34/1094034234.db2.gz IIIULBLUDQXTDW-MOPGFXCFSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001449055738 1094071576 /nfs/dbraw/zinc/07/15/76/1094071576.db2.gz XJMGFAUOWNPZJS-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440849268 1094107723 /nfs/dbraw/zinc/10/77/23/1094107723.db2.gz BKOHZRBNWZMMJY-KBPBESRZSA-N 2 0 338.496 2.429 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001440964933 1094222414 /nfs/dbraw/zinc/22/24/14/1094222414.db2.gz VRDYGOIBRHFBQT-OAHLLOKOSA-N 2 0 334.508 2.402 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001440977032 1094236978 /nfs/dbraw/zinc/23/69/78/1094236978.db2.gz ORZYKLHFTNLLKQ-KDOFPFPSSA-N 2 0 330.476 2.445 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001440982446 1094246265 /nfs/dbraw/zinc/24/62/65/1094246265.db2.gz CIGANYNWZSORKS-MRXNPFEDSA-N 2 0 348.491 2.280 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001449301242 1094254207 /nfs/dbraw/zinc/25/42/07/1094254207.db2.gz JHZUFMHXMSTAOL-ROUUACIJSA-N 2 0 344.503 2.044 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1)[NH+](CC)CC ZINC001449395571 1094373489 /nfs/dbraw/zinc/37/34/89/1094373489.db2.gz VKARTNQYPMGGOH-DAWZGUTISA-N 2 0 332.492 2.281 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CC(F)(F)C2)CC1(C)C ZINC001441253945 1094650528 /nfs/dbraw/zinc/65/05/28/1094650528.db2.gz CQWMLTFFOWXRBS-AWEZNQCLSA-N 2 0 331.451 2.200 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001441297731 1094740540 /nfs/dbraw/zinc/74/05/40/1094740540.db2.gz TVOVCLHQNUZBBH-AWEZNQCLSA-N 2 0 335.414 2.205 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001441333003 1094798891 /nfs/dbraw/zinc/79/88/91/1094798891.db2.gz CUBNSWIUNLJWQN-XYZCRZGXSA-N 2 0 339.483 2.232 10 0 EEAERP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]3C2)o1 ZINC001441340324 1094830325 /nfs/dbraw/zinc/83/03/25/1094830325.db2.gz NDLDCBYGQPNXKC-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)c(C)o1 ZINC001441445429 1095075236 /nfs/dbraw/zinc/07/52/36/1095075236.db2.gz VODMCKABOJWZCG-JFIYKMOQSA-N 2 0 348.491 2.149 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001441457376 1095109044 /nfs/dbraw/zinc/10/90/44/1095109044.db2.gz CMFNKWBOYVYHMA-GOSISDBHSA-N 2 0 332.492 2.057 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCCF)CC[C@H]21 ZINC001441478229 1095147271 /nfs/dbraw/zinc/14/72/71/1095147271.db2.gz OLXLIVAMUJBCQI-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccnn1C ZINC001441556410 1095298032 /nfs/dbraw/zinc/29/80/32/1095298032.db2.gz LQWRXEPOHFOHTB-HNNXBMFYSA-N 2 0 349.523 2.010 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441827566 1095877303 /nfs/dbraw/zinc/87/73/03/1095877303.db2.gz AJEVOHHICAZZAP-HIFRSBDPSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC(F)(F)C2)[C@H]1C ZINC001441889731 1096023459 /nfs/dbraw/zinc/02/34/59/1096023459.db2.gz BOARLFYUIDZBOY-DZGCQCFKSA-N 2 0 331.451 2.341 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001441920142 1096102332 /nfs/dbraw/zinc/10/23/32/1096102332.db2.gz LAMFVEIHAHJIRM-AWEZNQCLSA-N 2 0 346.500 2.155 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441938656 1096132186 /nfs/dbraw/zinc/13/21/86/1096132186.db2.gz IZKDIDFRBLJZRI-JYJNAYRXSA-N 2 0 335.467 2.459 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001443239731 1097707101 /nfs/dbraw/zinc/70/71/01/1097707101.db2.gz RNAWFLNNXRKKCK-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443336562 1097849125 /nfs/dbraw/zinc/84/91/25/1097849125.db2.gz QHLUIVGMNKVELF-QAPCUYQASA-N 2 0 345.478 2.339 10 0 EEAERP COc1cccc([C@@H](C)N2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001443484193 1097980928 /nfs/dbraw/zinc/98/09/28/1097980928.db2.gz WPFXFXJQKYMYEJ-CRAIPNDOSA-N 2 0 345.487 2.431 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2cn(C(C)C)nc2C)C1 ZINC001443831054 1098336393 /nfs/dbraw/zinc/33/63/93/1098336393.db2.gz GYEWPHJXEVOILK-GOSISDBHSA-N 2 0 349.523 2.147 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001443979373 1098496419 /nfs/dbraw/zinc/49/64/19/1098496419.db2.gz HSPYEWHFSGQIMT-QAPCUYQASA-N 2 0 342.487 2.494 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001444027995 1098546525 /nfs/dbraw/zinc/54/65/25/1098546525.db2.gz FJIXCWVQNSDXPK-SJLPKXTDSA-N 2 0 349.523 2.099 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001479580985 1098618700 /nfs/dbraw/zinc/61/87/00/1098618700.db2.gz MOHPCSOZVVBBCP-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C[NH2+]Cc2ccon2)CCCC[C@@H]1C ZINC001444153476 1098696451 /nfs/dbraw/zinc/69/64/51/1098696451.db2.gz MDQXWOSMYXYCDR-YJBOKZPZSA-N 2 0 336.480 2.170 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479835481 1099118445 /nfs/dbraw/zinc/11/84/45/1099118445.db2.gz VZWOOBQFVCNKTR-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cnc(C)s1 ZINC001479845277 1099137178 /nfs/dbraw/zinc/13/71/78/1099137178.db2.gz QANKONHPJOPPGC-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP O=C(NCCC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001479878729 1099244025 /nfs/dbraw/zinc/24/40/25/1099244025.db2.gz JFMPIGVJWDPXFG-KURKYZTESA-N 2 0 345.531 2.489 10 0 EEAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001479914720 1099319380 /nfs/dbraw/zinc/31/93/80/1099319380.db2.gz PTZDEYWXTNENTK-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)C1)[NH+](C)C ZINC001480120209 1099684599 /nfs/dbraw/zinc/68/45/99/1099684599.db2.gz ARWDIALCAWRVAJ-OALUTQOASA-N 2 0 331.504 2.458 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CCCCC2)o1 ZINC001444796162 1099712441 /nfs/dbraw/zinc/71/24/41/1099712441.db2.gz WAINLAKARYLJNV-FUHWJXTLSA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccn2)C2CCCCC2)C1 ZINC001444800849 1099719616 /nfs/dbraw/zinc/71/96/16/1099719616.db2.gz YMMFAMLFXCZPGL-HKUYNNGSSA-N 2 0 344.503 2.188 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480162337 1099736333 /nfs/dbraw/zinc/73/63/33/1099736333.db2.gz PQNLCQZRJVIYQU-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](Cc3ccsc3)C2)C1 ZINC001480267579 1099963861 /nfs/dbraw/zinc/96/38/61/1099963861.db2.gz NWRPODJTZFNCOP-JKSUJKDBSA-N 2 0 335.517 2.418 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCC([NH2+]CCOCC)CC2)C1 ZINC001480406654 1100221501 /nfs/dbraw/zinc/22/15/01/1100221501.db2.gz FHGPWDKANWQFRA-WWDZGPRUSA-N 2 0 339.524 2.162 10 0 EEAERP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001480462539 1100266242 /nfs/dbraw/zinc/26/62/42/1100266242.db2.gz LGUIKCGSZATFNW-KXBFYZLASA-N 2 0 329.488 2.185 10 0 EEAERP C[C@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496205832 1100746375 /nfs/dbraw/zinc/74/63/75/1100746375.db2.gz DOGHLHYOPPHPGI-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP CC[C@@H](C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1)OC ZINC001495160120 1100831855 /nfs/dbraw/zinc/83/18/55/1100831855.db2.gz BJTWXMZEFJCBTQ-YESZJQIVSA-N 2 0 339.524 2.160 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC001495230926 1100921003 /nfs/dbraw/zinc/92/10/03/1100921003.db2.gz CRDFRVUDBVJDGC-KXBFYZLASA-N 2 0 348.491 2.014 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]Cc2ccccn2)C2CCCC2)C1 ZINC001446504491 1100953220 /nfs/dbraw/zinc/95/32/20/1100953220.db2.gz XUHMYVGMCNDDAZ-LPHOPBHVSA-N 2 0 344.503 2.188 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)no1 ZINC001496412963 1101005134 /nfs/dbraw/zinc/00/51/34/1101005134.db2.gz DLOJQTKGJOBNMC-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496413876 1101005944 /nfs/dbraw/zinc/00/59/44/1101005944.db2.gz JWHHYSDMJAFYAN-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)s1 ZINC001496481074 1101071702 /nfs/dbraw/zinc/07/17/02/1101071702.db2.gz NDMITCVNWLYJGA-XJKSGUPXSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446682646 1101234286 /nfs/dbraw/zinc/23/42/86/1101234286.db2.gz SLIWORIVZOBXDF-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446945744 1101636460 /nfs/dbraw/zinc/63/64/60/1101636460.db2.gz UUBWHESFLPUMQF-JXFKEZNVSA-N 2 0 343.515 2.454 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001496906071 1101699218 /nfs/dbraw/zinc/69/92/18/1101699218.db2.gz ZUWOFAAPROZDMD-QZTJIDSGSA-N 2 0 342.487 2.494 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2cscn2)CC1 ZINC001447148701 1102085213 /nfs/dbraw/zinc/08/52/13/1102085213.db2.gz IKGTULVILWSPBB-HOTGVXAUSA-N 2 0 348.516 2.050 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001497253513 1102196896 /nfs/dbraw/zinc/19/68/96/1102196896.db2.gz FLLMBCPPQYLJCS-IPYPFGDCSA-N 2 0 338.521 2.166 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001447248278 1102290881 /nfs/dbraw/zinc/29/08/81/1102290881.db2.gz RHSLQNPNVXIBEM-GOEBONIOSA-N 2 0 348.516 2.289 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CCC2)o1 ZINC001447271045 1102352064 /nfs/dbraw/zinc/35/20/64/1102352064.db2.gz XKFRGAAMVQINBA-HZPDHXFCSA-N 2 0 348.491 2.232 10 0 EEAERP CO[C@H](C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1)C1CCC1 ZINC001447309253 1102423819 /nfs/dbraw/zinc/42/38/19/1102423819.db2.gz ZZPONWLCZDKITC-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001447313467 1102430894 /nfs/dbraw/zinc/43/08/94/1102430894.db2.gz XNQPRFMNQCSYDK-IAGOWNOFSA-N 2 0 348.491 2.328 10 0 EEAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001497445548 1102501175 /nfs/dbraw/zinc/50/11/75/1102501175.db2.gz WNPIICHICONGIU-SFHVURJKSA-N 2 0 337.508 2.034 10 0 EEAERP CCC1([NH2+]CC[C@@H]2CCCCO2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447422774 1102625066 /nfs/dbraw/zinc/62/50/66/1102625066.db2.gz AJRMLRVPJHRXNT-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1 ZINC001497614974 1102754134 /nfs/dbraw/zinc/75/41/34/1102754134.db2.gz LQSNSWLYJSLCJW-IDOMTICXSA-N 2 0 337.414 2.211 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001494044901 1103418134 /nfs/dbraw/zinc/41/81/34/1103418134.db2.gz ZUCBUDFFSMSUJW-XIRDDKMYSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)s1 ZINC001447899356 1103549341 /nfs/dbraw/zinc/54/93/41/1103549341.db2.gz PCTHKTJVIIRAHY-UONOGXRCSA-N 2 0 338.521 2.166 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC001447946519 1103665948 /nfs/dbraw/zinc/66/59/48/1103665948.db2.gz KZNOVANEGZGHBX-AOCRQIFASA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cccnc1 ZINC001448097034 1103993992 /nfs/dbraw/zinc/99/39/92/1103993992.db2.gz FPLPGVHKELTNLV-SJORKVTESA-N 2 0 332.492 2.283 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001448132078 1104073298 /nfs/dbraw/zinc/07/32/98/1104073298.db2.gz JCOBYIWBDOFWLT-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001448221464 1104203886 /nfs/dbraw/zinc/20/38/86/1104203886.db2.gz OAJWQBPZIZYBLL-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCC(F)(F)C2)CC1 ZINC001494667569 1104254960 /nfs/dbraw/zinc/25/49/60/1104254960.db2.gz SMHGCIJOUIEGND-ILXRZTDVSA-N 2 0 341.446 2.049 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccc(C)cc1 ZINC001494982070 1104625474 /nfs/dbraw/zinc/62/54/74/1104625474.db2.gz VRICTJHZSRVNSH-WOJBJXKFSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983835 1106737271 /nfs/dbraw/zinc/73/72/71/1106737271.db2.gz NPJCEZTWBJXIMO-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001498053018 1106847377 /nfs/dbraw/zinc/84/73/77/1106847377.db2.gz CYSRIZVDIWWJJH-SUMWQHHRSA-N 2 0 348.491 2.293 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001480679174 1106869813 /nfs/dbraw/zinc/86/98/13/1106869813.db2.gz HOSKDIMSZDJNDB-ICSRJNTNSA-N 2 0 343.515 2.317 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001480777357 1107100131 /nfs/dbraw/zinc/10/01/31/1107100131.db2.gz VKEORGDYZIDQDW-AEFFLSMTSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)co1 ZINC001480794027 1107128672 /nfs/dbraw/zinc/12/86/72/1107128672.db2.gz UPUXVNHDZHLJHR-HUUCEWRRSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCF)[NH+]1CCCC1 ZINC001480833013 1107229630 /nfs/dbraw/zinc/22/96/30/1107229630.db2.gz LUTOSIQSHFMAKS-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001498374199 1107413583 /nfs/dbraw/zinc/41/35/83/1107413583.db2.gz CUEGGRVJAAINSE-OLZOCXBDSA-N 2 0 327.419 2.414 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001498456882 1107566022 /nfs/dbraw/zinc/56/60/22/1107566022.db2.gz QICUMWRJJWNZCR-ZIAGYGMSSA-N 2 0 337.430 2.496 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001498492758 1107629476 /nfs/dbraw/zinc/62/94/76/1107629476.db2.gz WBRFZIFSTXLYOG-HKUYNNGSSA-N 2 0 347.503 2.412 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2cc(C)ns2)CC[N@@H+]1C ZINC001498548748 1107702600 /nfs/dbraw/zinc/70/26/00/1107702600.db2.gz JZKUVIWNAPQJBS-JKSUJKDBSA-N 2 0 338.521 2.120 10 0 EEAERP CN(CCC[NH2+]Cc1nsc2ccccc12)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498592757 1107776919 /nfs/dbraw/zinc/77/69/19/1107776919.db2.gz VDJCCBVHEJJBJQ-MRXNPFEDSA-N 2 0 346.500 2.329 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270040 1107822080 /nfs/dbraw/zinc/82/20/80/1107822080.db2.gz ZZONNCIYMSJLEB-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001498760740 1108046660 /nfs/dbraw/zinc/04/66/60/1108046660.db2.gz RIOAFFQTCRBAGU-NIKGAXFTSA-N 2 0 345.487 2.020 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001498847442 1108216007 /nfs/dbraw/zinc/21/60/07/1108216007.db2.gz AEYTZZOIFPGJHH-QFBILLFUSA-N 2 0 345.487 2.021 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1)[NH+](C)C ZINC001498862617 1108239117 /nfs/dbraw/zinc/23/91/17/1108239117.db2.gz XXAHACBAXFAVFQ-HUUCEWRRSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001498872366 1108255183 /nfs/dbraw/zinc/25/51/83/1108255183.db2.gz GHITZAFOVXTCRV-GOSISDBHSA-N 2 0 335.467 2.459 10 0 EEAERP CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]Cc1ocnc1C ZINC001498892982 1108286910 /nfs/dbraw/zinc/28/69/10/1108286910.db2.gz GIUAZRRRCSOHFA-CVEARBPZSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001493581433 1108352724 /nfs/dbraw/zinc/35/27/24/1108352724.db2.gz WOLXHMLICDYMNO-UHFFFAOYSA-N 2 0 336.480 2.139 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC001493668596 1108479648 /nfs/dbraw/zinc/47/96/48/1108479648.db2.gz FLUHRFHZLWCYFK-RYUDHWBXSA-N 2 0 344.912 2.075 10 0 EEAERP Cc1cccc(OCC[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001493670875 1108485032 /nfs/dbraw/zinc/48/50/32/1108485032.db2.gz YOTVMZIKBKOGGY-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493806847 1108687600 /nfs/dbraw/zinc/68/76/00/1108687600.db2.gz QGQIQEOHXYMXEV-GOSISDBHSA-N 2 0 332.492 2.058 10 0 EEAERP OC1(C[NH+]2CCCCC2)CCN(Cc2cc3n(n2)CCCC3)CC1 ZINC001460948281 1110329200 /nfs/dbraw/zinc/32/92/00/1110329200.db2.gz TXNBPZDRUGYGAI-UHFFFAOYSA-N 2 0 332.492 2.032 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001479386520 1110689610 /nfs/dbraw/zinc/68/96/10/1110689610.db2.gz TZBOKUSUKRWOLB-JOCQHMNTSA-N 2 0 335.414 2.298 10 0 EEAERP O=C(NCC1([NH2+]Cc2cccc(Cl)n2)CC1)C12CCC[NH+]1CCC2 ZINC001499278334 1112213725 /nfs/dbraw/zinc/21/37/25/1112213725.db2.gz DOKOGPPBPGJJTK-UHFFFAOYSA-N 2 0 348.878 2.102 10 0 EEAERP COCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499575950 1112381783 /nfs/dbraw/zinc/38/17/83/1112381783.db2.gz DKLCMGPMCBCSET-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001499909876 1112537042 /nfs/dbraw/zinc/53/70/42/1112537042.db2.gz WYWRTVXECQQTRJ-QGZVFWFLSA-N 2 0 339.443 2.262 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001499987007 1112566919 /nfs/dbraw/zinc/56/69/19/1112566919.db2.gz VURCKJWLHIOIOW-CABCVRRESA-N 2 0 333.467 2.385 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CCCC2)c1 ZINC001500127144 1112629973 /nfs/dbraw/zinc/62/99/73/1112629973.db2.gz RSMHEODJEANHTJ-OALUTQOASA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001500446422 1112838779 /nfs/dbraw/zinc/83/87/79/1112838779.db2.gz GIVDQWJJTHRJCK-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500611553 1112974994 /nfs/dbraw/zinc/97/49/94/1112974994.db2.gz VEVBUYZAHLZOIY-LSDHHAIUSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H]([NH2+]CCCCCF)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501067862 1113187032 /nfs/dbraw/zinc/18/70/32/1113187032.db2.gz UMRJUOPXLKIJPP-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501607644 1113398117 /nfs/dbraw/zinc/39/81/17/1113398117.db2.gz LFFOVBFARPQTHB-QGZVFWFLSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001505434166 1113968124 /nfs/dbraw/zinc/96/81/24/1113968124.db2.gz MAKSYLYFULCXSE-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001505516598 1114032240 /nfs/dbraw/zinc/03/22/40/1114032240.db2.gz CGPLCVVVSWZNHD-UHFFFAOYSA-N 2 0 341.858 2.415 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001506802857 1114887243 /nfs/dbraw/zinc/88/72/43/1114887243.db2.gz QWRQQACVJPHRIS-XVPPSFIESA-N 2 0 331.504 2.265 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)no1 ZINC001506939413 1114988901 /nfs/dbraw/zinc/98/89/01/1114988901.db2.gz CDFFDSJANYAJTD-CQSZACIVSA-N 2 0 336.480 2.089 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001506965261 1115015736 /nfs/dbraw/zinc/01/57/36/1115015736.db2.gz FEJROADMSCORTQ-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001507163333 1115142249 /nfs/dbraw/zinc/14/22/49/1115142249.db2.gz UNVKCIVQUNTKLY-CHWSQXEVSA-N 2 0 338.323 2.347 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]32)co1 ZINC001507361678 1115222431 /nfs/dbraw/zinc/22/24/31/1115222431.db2.gz NHIJUOVUSSZUKD-KBAYOESNSA-N 2 0 348.491 2.042 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001507404659 1115253510 /nfs/dbraw/zinc/25/35/10/1115253510.db2.gz WEFAFKCNELRHMJ-IRXDYDNUSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001508059328 1115406775 /nfs/dbraw/zinc/40/67/75/1115406775.db2.gz OONYUDUEPRBRKZ-CQSZACIVSA-N 2 0 348.491 2.184 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001508136563 1115425472 /nfs/dbraw/zinc/42/54/72/1115425472.db2.gz YNKXAVMJRSCIRO-WLYUNCDWSA-N 2 0 331.451 2.343 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cc(C)ns2)C1 ZINC001508146057 1115427699 /nfs/dbraw/zinc/42/76/99/1115427699.db2.gz UGOHVCGNVUAMIO-UHFFFAOYSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCCF ZINC001567958834 1124205299 /nfs/dbraw/zinc/20/52/99/1124205299.db2.gz VDXPFOQPGMBXQX-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cscn2)C1 ZINC001568073009 1124278330 /nfs/dbraw/zinc/27/83/30/1124278330.db2.gz SMUROGVARFYWTJ-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001568096830 1124300289 /nfs/dbraw/zinc/30/02/89/1124300289.db2.gz LZRGJZULCPODTH-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]C/C=C/Cl ZINC001568196727 1124350044 /nfs/dbraw/zinc/35/00/44/1124350044.db2.gz XYUOTSZXRJUHKS-ZWQINLGBSA-N 2 0 349.906 2.426 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001568529264 1124591984 /nfs/dbraw/zinc/59/19/84/1124591984.db2.gz XRNFVRJZXUKPSH-TZMCWYRMSA-N 2 0 327.469 2.267 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC001568669449 1124682349 /nfs/dbraw/zinc/68/23/49/1124682349.db2.gz PVMSUZWFICWNAH-WWGRRREGSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)C[NH+]1CCCC1 ZINC001568710529 1124726928 /nfs/dbraw/zinc/72/69/28/1124726928.db2.gz NNEAMIXIBNFKLF-CQSZACIVSA-N 2 0 336.480 2.052 10 0 EEAERP CCN(CC[NH2+]C[C@H](OC)C1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568753225 1124767516 /nfs/dbraw/zinc/76/75/16/1124767516.db2.gz BOBPVIJOGMRHLF-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001568755942 1124769459 /nfs/dbraw/zinc/76/94/59/1124769459.db2.gz MALNAEAILPFRLV-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)C12CCC[NH+]1CCC2 ZINC001568756113 1124770301 /nfs/dbraw/zinc/77/03/01/1124770301.db2.gz DAQYNCYNPMHWDQ-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001568791440 1124803275 /nfs/dbraw/zinc/80/32/75/1124803275.db2.gz JHNWNQPOKWWBLD-UHFFFAOYSA-N 2 0 335.879 2.374 10 0 EEAERP CCN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568800963 1124815466 /nfs/dbraw/zinc/81/54/66/1124815466.db2.gz XUFKLFUNKGVKJW-RBUKOAKNSA-N 2 0 347.503 2.033 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001568950960 1124984153 /nfs/dbraw/zinc/98/41/53/1124984153.db2.gz MUTVCVKRKSXMTI-QDLOVBKTSA-N 2 0 333.451 2.238 10 0 EEAERP CN(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccn1)c1ccccc1 ZINC001569269513 1125208224 /nfs/dbraw/zinc/20/82/24/1125208224.db2.gz AKYBDXKSCDDGTJ-IBGZPJMESA-N 2 0 340.471 2.323 10 0 EEAERP C[NH+](C)CC(C)(C)CNc1nccnc1NCC(C)(C)C[NH+](C)C ZINC000164969712 539542169 /nfs/dbraw/zinc/54/21/69/539542169.db2.gz DVKOXELPDCEQOF-UHFFFAOYSA-N 2 0 336.528 2.476 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[NH+](C)CC1)c1sccc1Br ZINC000037760003 213165010 /nfs/dbraw/zinc/16/50/10/213165010.db2.gz GRPDHLVGQRMBPG-LLVKDONJSA-N 2 0 332.311 2.409 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000422710267 240186761 /nfs/dbraw/zinc/18/67/61/240186761.db2.gz FNZOUKYLDNNWGS-CABCVRRESA-N 2 0 333.476 2.405 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000078543249 217071939 /nfs/dbraw/zinc/07/19/39/217071939.db2.gz CGZYHCHZHHZODZ-WMLDXEAASA-N 2 0 338.471 2.458 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000110993423 220088832 /nfs/dbraw/zinc/08/88/32/220088832.db2.gz JDJMCFFOQIRXAF-MRXNPFEDSA-N 2 0 333.476 2.231 10 0 EEAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@H]1CC ZINC000116768496 152062037 /nfs/dbraw/zinc/06/20/37/152062037.db2.gz LGFDZARTQWVXRV-RTBURBONSA-N 2 0 347.503 2.249 10 0 EEAERP C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000121566363 292265501 /nfs/dbraw/zinc/26/55/01/292265501.db2.gz XGOIKJXLNKFSQK-DLZDZTESSA-N 2 0 327.472 2.440 10 0 EEAERP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc2s1 ZINC000262002444 160432869 /nfs/dbraw/zinc/43/28/69/160432869.db2.gz LLDIQTQFTDDLFB-OAHLLOKOSA-N 2 0 346.500 2.424 10 0 EEAERP CCCC[N@H+](CC(N)=O)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000091950364 159210729 /nfs/dbraw/zinc/21/07/29/159210729.db2.gz KWNDJNMGJXOINN-UHFFFAOYSA-N 2 0 346.519 2.306 10 0 EEAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000245446141 160235645 /nfs/dbraw/zinc/23/56/45/160235645.db2.gz KXPRLEXXQNNHCM-FUHWJXTLSA-N 2 0 340.895 2.491 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246822044 160295783 /nfs/dbraw/zinc/29/57/83/160295783.db2.gz WJKKBBWRCGJQAR-OALUTQOASA-N 2 0 342.487 2.141 10 0 EEAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(N)=O ZINC000248425436 160345624 /nfs/dbraw/zinc/34/56/24/160345624.db2.gz NXXSBQKAFCOZBS-RCCFBDPRSA-N 2 0 329.488 2.388 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccnc1 ZINC000345196985 161280989 /nfs/dbraw/zinc/28/09/89/161280989.db2.gz AZISDTDHFLVYPO-SJLPKXTDSA-N 2 0 332.492 2.060 10 0 EEAERP CC[C@@H]1C[C@H](C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000355679772 163266966 /nfs/dbraw/zinc/26/69/66/163266966.db2.gz XVHAYXXHIAQINE-VAMGGRTRSA-N 2 0 332.488 2.418 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000360868646 164393934 /nfs/dbraw/zinc/39/39/34/164393934.db2.gz AEDUVQIWXSPVJP-GTAWCEEGSA-N 2 0 332.488 2.132 10 0 EEAERP O=C(Cn1ccnc1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368296324 166084493 /nfs/dbraw/zinc/08/44/93/166084493.db2.gz MMIMVUWQWXCNHQ-SFHVURJKSA-N 2 0 326.444 2.302 10 0 EEAERP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000124027534 222366122 /nfs/dbraw/zinc/36/61/22/222366122.db2.gz FMRXRELTSMQIEA-GFCCVEGCSA-N 2 0 339.505 2.294 10 0 EEAERP CC(C)[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274618833 269041184 /nfs/dbraw/zinc/04/11/84/269041184.db2.gz TTZSENFNGXQTNL-ROUUACIJSA-N 2 0 330.476 2.002 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnn2ccccc12 ZINC000289527941 275124418 /nfs/dbraw/zinc/12/44/18/275124418.db2.gz VXCDLFHNFROJQK-SFHVURJKSA-N 2 0 329.492 2.182 10 0 EEAERP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291395762 275301348 /nfs/dbraw/zinc/30/13/48/275301348.db2.gz DEVTXPSJKGQVMH-KRWDZBQOSA-N 2 0 329.488 2.451 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000178733318 277390598 /nfs/dbraw/zinc/39/05/98/277390598.db2.gz RVOIWYVXNXZVOO-KRWDZBQOSA-N 2 0 336.524 2.234 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246398699 277395885 /nfs/dbraw/zinc/39/58/85/277395885.db2.gz JYOPXSXLOBJBLR-KSZLIROESA-N 2 0 336.524 2.233 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366429916 277850717 /nfs/dbraw/zinc/85/07/17/277850717.db2.gz LTIFMPIUGFBPSO-CYBMUJFWSA-N 2 0 331.391 2.293 10 0 EEAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)[NH+](C)C1CC1 ZINC000371075310 278203800 /nfs/dbraw/zinc/20/38/00/278203800.db2.gz PRXMSCPIJMKTSZ-BVGQSLNGSA-N 2 0 348.466 2.353 10 0 EEAERP C[NH+]1CC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H]1c1ccccc1 ZINC000489937533 290250126 /nfs/dbraw/zinc/25/01/26/290250126.db2.gz ZJCLGBCAFMVDKB-NSHGMRRFSA-N 2 0 342.487 2.169 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284155894 293039853 /nfs/dbraw/zinc/03/98/53/293039853.db2.gz DUJKDKYRWROXPR-LNKGRISISA-N 2 0 331.504 2.413 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000340857546 297257062 /nfs/dbraw/zinc/25/70/62/297257062.db2.gz HLVKDGSMQFJYIZ-NZSAHSFTSA-N 2 0 346.519 2.283 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000333415528 312144005 /nfs/dbraw/zinc/14/40/05/312144005.db2.gz RVFBSSSXRZHMOA-LXPRWKDFSA-N 2 0 336.524 2.471 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000333805358 312199888 /nfs/dbraw/zinc/19/98/88/312199888.db2.gz ORRUFEZYNXIAFQ-IRXDYDNUSA-N 2 0 336.524 2.330 10 0 EEAERP COCCN(C)c1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000414813116 313095159 /nfs/dbraw/zinc/09/51/59/313095159.db2.gz LXRNASWHZGPFTH-OAHLLOKOSA-N 2 0 328.460 2.474 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416794560 313318439 /nfs/dbraw/zinc/31/84/39/313318439.db2.gz PWYONNFZRLOJFH-IEBWSBKVSA-N 2 0 342.487 2.044 10 0 EEAERP CC(C)(CNC(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCCCC1 ZINC000416820958 313325349 /nfs/dbraw/zinc/32/53/49/313325349.db2.gz DBIDMSNNPNGTNX-UHFFFAOYSA-N 2 0 346.519 2.464 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416843306 313333141 /nfs/dbraw/zinc/33/31/41/313333141.db2.gz OKOSAUUUFSLFTQ-HRCADAONSA-N 2 0 348.516 2.278 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[NH+](C)C)cc1 ZINC000416850234 313335759 /nfs/dbraw/zinc/33/57/59/313335759.db2.gz ZFSKEEJHXIJBCK-QYZOEREBSA-N 2 0 344.503 2.245 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000416980997 313381455 /nfs/dbraw/zinc/38/14/55/313381455.db2.gz KLSNWBWMFLIQCH-RBUKOAKNSA-N 2 0 344.503 2.422 10 0 EEAERP CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417007747 313392341 /nfs/dbraw/zinc/39/23/41/313392341.db2.gz HQGYPVCQWRFHCA-UJJTZGENSA-N 2 0 336.524 2.421 10 0 EEAERP CC(C)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000417014120 313394673 /nfs/dbraw/zinc/39/46/73/313394673.db2.gz ZMPULUQVRDTDGU-ROUUACIJSA-N 2 0 336.524 2.279 10 0 EEAERP Cc1ncncc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000517959955 316701920 /nfs/dbraw/zinc/70/19/20/316701920.db2.gz JLYUYBZKDPJRMA-INIZCTEOSA-N 2 0 340.471 2.463 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000528450203 317390035 /nfs/dbraw/zinc/39/00/35/317390035.db2.gz NLCKOWLOVDXGDK-BWPNAZKDSA-N 2 0 346.515 2.399 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000530727437 317744501 /nfs/dbraw/zinc/74/45/01/317744501.db2.gz JINLJHRKGMAPRF-LJQANCHMSA-N 2 0 342.487 2.159 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000545308673 318216263 /nfs/dbraw/zinc/21/62/63/318216263.db2.gz ZSHIGJOWMCLUHV-LJQANCHMSA-N 2 0 327.472 2.132 10 0 EEAERP CC(C)(CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000563092426 318971209 /nfs/dbraw/zinc/97/12/09/318971209.db2.gz KASYNQQYEPHLPG-GOSISDBHSA-N 2 0 344.503 2.376 10 0 EEAERP CC[N@H+](C)C[C@H](O)CN1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000563363264 319000857 /nfs/dbraw/zinc/00/08/57/319000857.db2.gz GIVTVPLDFURJNB-SFHVURJKSA-N 2 0 348.487 2.040 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000563529157 319019599 /nfs/dbraw/zinc/01/95/99/319019599.db2.gz GXASCTUFKYCQGQ-KBAYOESNSA-N 2 0 330.476 2.121 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000563604538 319029074 /nfs/dbraw/zinc/02/90/74/319029074.db2.gz SZLJXGBJRASOJI-RDJZCZTQSA-N 2 0 330.476 2.172 10 0 EEAERP CN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563610048 319029646 /nfs/dbraw/zinc/02/96/46/319029646.db2.gz XNGIBUBPLWSCPR-MPHDIFKYSA-N 2 0 346.519 2.018 10 0 EEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000564907900 319126106 /nfs/dbraw/zinc/12/61/06/319126106.db2.gz SSLXIBPAMLWZGU-SFHVURJKSA-N 2 0 335.467 2.447 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000579828413 323938050 /nfs/dbraw/zinc/93/80/50/323938050.db2.gz WNUJDTJYRHOBDO-NJDAHSKKSA-N 2 0 345.531 2.158 10 0 EEAERP CC1(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000580420840 324059062 /nfs/dbraw/zinc/05/90/62/324059062.db2.gz UZBDMKVCKFOMLU-UHFFFAOYSA-N 2 0 329.488 2.348 10 0 EEAERP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581538211 324274595 /nfs/dbraw/zinc/27/45/95/324274595.db2.gz INQPBBGGRDRCHY-SFHVURJKSA-N 2 0 332.492 2.290 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)NCC[NH+](C)C ZINC000354573853 465033778 /nfs/dbraw/zinc/03/37/78/465033778.db2.gz OCZJOGHHOVSVAQ-HOCLYGCPSA-N 2 0 329.554 2.200 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000354585566 465038510 /nfs/dbraw/zinc/03/85/10/465038510.db2.gz QDQZUKGRBZLKFI-UHFFFAOYSA-N 2 0 347.503 2.479 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000351541716 465210826 /nfs/dbraw/zinc/21/08/26/465210826.db2.gz RYZXQXUQSARZSH-UYAOXDASSA-N 2 0 345.487 2.431 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000578866126 468270825 /nfs/dbraw/zinc/27/08/25/468270825.db2.gz IMVRIVAKKLMPHW-IBGZPJMESA-N 2 0 343.515 2.230 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000088734983 462642809 /nfs/dbraw/zinc/64/28/09/462642809.db2.gz ZVWYDSVRLOLAMI-RTBURBONSA-N 2 0 331.504 2.469 10 0 EEAERP CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000568288710 468316675 /nfs/dbraw/zinc/31/66/75/468316675.db2.gz IBALUNKWMFXCBG-RYQLBKOJSA-N 2 0 330.476 2.215 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410694 462790110 /nfs/dbraw/zinc/79/01/10/462790110.db2.gz JSPOACAZJMJLSD-WBVHZDCISA-N 2 0 348.491 2.081 10 0 EEAERP Cc1c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)oc2ccccc12 ZINC000155188982 462858489 /nfs/dbraw/zinc/85/84/89/462858489.db2.gz KQCQLPFGNSJAGA-UHFFFAOYSA-N 2 0 346.475 2.376 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000535760701 468327845 /nfs/dbraw/zinc/32/78/45/468327845.db2.gz OMRRBMUTYYRBML-IBGZPJMESA-N 2 0 347.503 2.146 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000156644959 463052056 /nfs/dbraw/zinc/05/20/56/463052056.db2.gz XNTQHPJVKSMLRE-QXAKKESOSA-N 2 0 329.488 2.498 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000097082159 463317939 /nfs/dbraw/zinc/31/79/39/463317939.db2.gz GMKIHDQVUOEMGF-FGTMMUONSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276520 463504863 /nfs/dbraw/zinc/50/48/63/463504863.db2.gz IUEKWMPKAJDMOD-HKUYNNGSSA-N 2 0 349.519 2.124 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000152411350 463686810 /nfs/dbraw/zinc/68/68/10/463686810.db2.gz XOISBUTYVBLNHP-KURKYZTESA-N 2 0 336.524 2.233 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000185482972 463830398 /nfs/dbraw/zinc/83/03/98/463830398.db2.gz FHOYQLQXTALRPT-UHFFFAOYSA-N 2 0 346.519 2.416 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccc1F ZINC000261895744 463891546 /nfs/dbraw/zinc/89/15/46/463891546.db2.gz HCDDWEZUYFERSA-QRQLOZEOSA-N 3 0 335.467 2.134 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171900853 463944701 /nfs/dbraw/zinc/94/47/01/463944701.db2.gz LTDSWVYTWRTKIR-QZTJIDSGSA-N 2 0 336.524 2.233 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179194069 464079522 /nfs/dbraw/zinc/07/95/22/464079522.db2.gz SWQGUKJHJYRKEB-QZTJIDSGSA-N 2 0 332.492 2.463 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C)s1 ZINC000337588673 465453171 /nfs/dbraw/zinc/45/31/71/465453171.db2.gz VDYSIBUCJOARJZ-INIZCTEOSA-N 2 0 337.533 2.474 10 0 EEAERP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245905791 464523984 /nfs/dbraw/zinc/52/39/84/464523984.db2.gz LZGKFWQQRCSZBR-SCTDSRPQSA-N 2 0 329.488 2.450 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246613757 464605392 /nfs/dbraw/zinc/60/53/92/464605392.db2.gz LVJWXECSBSQCME-IRXDYDNUSA-N 2 0 336.524 2.377 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721625 464609264 /nfs/dbraw/zinc/60/92/64/464609264.db2.gz GBSHALBEIXJXCB-CRAIPNDOSA-N 2 0 335.467 2.446 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182554330 464681641 /nfs/dbraw/zinc/68/16/41/464681641.db2.gz QESXMGMEHFLZGZ-ROUUACIJSA-N 2 0 336.524 2.234 10 0 EEAERP CCc1nccn1[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192735850 464987606 /nfs/dbraw/zinc/98/76/06/464987606.db2.gz YHMUYONUFHCGCC-IBGZPJMESA-N 2 0 347.551 2.499 10 0 EEAERP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384028 465695995 /nfs/dbraw/zinc/69/59/95/465695995.db2.gz CQCUBJBXBQLLMV-IRXDYDNUSA-N 2 0 339.549 2.335 10 0 EEAERP COC(=O)[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C1CC1 ZINC000348869729 465851979 /nfs/dbraw/zinc/85/19/79/465851979.db2.gz OLYXNXIZMUODHZ-ZWKOTPCHSA-N 2 0 340.427 2.207 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000299747994 465882011 /nfs/dbraw/zinc/88/20/11/465882011.db2.gz FSOYTVWCEHSZLA-ATZDWAIDSA-N 2 0 338.455 2.108 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000348974667 465900015 /nfs/dbraw/zinc/90/00/15/465900015.db2.gz VOJDOIRIRCRJCZ-UHFFFAOYSA-N 2 0 329.488 2.424 10 0 EEAERP CN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349806809 466249069 /nfs/dbraw/zinc/24/90/69/466249069.db2.gz LBYLFQFRMGJBGI-PKOBYXMFSA-N 2 0 342.487 2.139 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000358029763 466398295 /nfs/dbraw/zinc/39/82/95/466398295.db2.gz WCRTZNBCCJUUHU-HNAYVOBHSA-N 2 0 336.524 2.306 10 0 EEAERP COCC1(CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405929 466740631 /nfs/dbraw/zinc/74/06/31/466740631.db2.gz JVKRXYUCELRCSV-RTBURBONSA-N 2 0 347.503 2.094 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417049774 466765371 /nfs/dbraw/zinc/76/53/71/466765371.db2.gz VCTBTYMFNMPITQ-JFIYKMOQSA-N 2 0 336.524 2.280 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000417654867 466899879 /nfs/dbraw/zinc/89/98/79/466899879.db2.gz DEZYCUKYNDVLSZ-PBHICJAKSA-N 2 0 336.455 2.204 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417746329 466923245 /nfs/dbraw/zinc/92/32/45/466923245.db2.gz HBTPLGOJDIJNQB-UHFFFAOYSA-N 2 0 346.519 2.321 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417809002 466941413 /nfs/dbraw/zinc/94/14/13/466941413.db2.gz GJCJMOVLRUZFGM-UHFFFAOYSA-N 2 0 336.524 2.171 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365897162 466981523 /nfs/dbraw/zinc/98/15/23/466981523.db2.gz VORBTFDIPMCLHL-RVKKMQEKSA-N 2 0 327.488 2.388 10 0 EEAERP C[NH2+][C@H]1CCCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418049702 467034448 /nfs/dbraw/zinc/03/44/48/467034448.db2.gz YKVNFELZQUJZIT-ICSRJNTNSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1OCC(=O)N(C)C)CC[NH2+]CC2 ZINC000424383882 467037245 /nfs/dbraw/zinc/03/72/45/467037245.db2.gz URHJXSUSYZSMFP-INIZCTEOSA-N 2 0 345.487 2.118 10 0 EEAERP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418324763 467092475 /nfs/dbraw/zinc/09/24/75/467092475.db2.gz WHTWHOYDRHCRRY-ROUUACIJSA-N 2 0 336.524 2.284 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418557455 467128834 /nfs/dbraw/zinc/12/88/34/467128834.db2.gz BAKITCCGXOTFSY-KURKYZTESA-N 2 0 330.476 2.172 10 0 EEAERP CC1(C)CN(C(=O)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000382726651 467377852 /nfs/dbraw/zinc/37/78/52/467377852.db2.gz UHPRYBHLIPJHAZ-GOSISDBHSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000382768124 467379240 /nfs/dbraw/zinc/37/92/40/467379240.db2.gz YUMCZRSNWNNBBJ-NEWSRXKRSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000382760521 467379454 /nfs/dbraw/zinc/37/94/54/467379454.db2.gz JESPXNXLDSDLJU-IEBWSBKVSA-N 2 0 329.488 2.499 10 0 EEAERP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386716388 467391061 /nfs/dbraw/zinc/39/10/61/467391061.db2.gz WTIGFWBUFDPJGN-VQTJNVASSA-N 2 0 337.467 2.462 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398087019 467446775 /nfs/dbraw/zinc/44/67/75/467446775.db2.gz UPXIWPXLUDAGKC-BHIYHBOVSA-N 2 0 329.488 2.403 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453101711 467459724 /nfs/dbraw/zinc/45/97/24/467459724.db2.gz OQBSAOSGGHDJGD-SJORKVTESA-N 2 0 341.503 2.374 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000415016756 467469498 /nfs/dbraw/zinc/46/94/98/467469498.db2.gz ORSWANDHDKJUPS-MXWKQRLJSA-N 2 0 328.254 2.492 10 0 EEAERP C[C@@H]1CN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@@]1(C)C[NH3+] ZINC000415049323 467476551 /nfs/dbraw/zinc/47/65/51/467476551.db2.gz ABIPBUWLHRCSFU-BDJLRTHQSA-N 2 0 337.830 2.477 10 0 EEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000415104907 467490676 /nfs/dbraw/zinc/49/06/76/467490676.db2.gz LTWSIJYNRBOHHR-UWWQBHOKSA-N 2 0 335.467 2.370 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C2CCOCC2)CC1 ZINC000449156017 467621335 /nfs/dbraw/zinc/62/13/35/467621335.db2.gz REDZHAXJTSTSGZ-UTKZUKDTSA-N 2 0 346.515 2.459 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458124808 467773163 /nfs/dbraw/zinc/77/31/63/467773163.db2.gz FUOMUFBFINWXQP-IBGZPJMESA-N 2 0 336.524 2.236 10 0 EEAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000529285902 467839026 /nfs/dbraw/zinc/83/90/26/467839026.db2.gz QZJNGCNTNIUSPB-IBGZPJMESA-N 2 0 344.503 2.422 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529298084 467841713 /nfs/dbraw/zinc/84/17/13/467841713.db2.gz KMOWQWGHRWLXKQ-OWCLPIDISA-N 2 0 336.524 2.327 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000514671381 467947725 /nfs/dbraw/zinc/94/77/25/467947725.db2.gz HOSFBZDCCQASNT-WMZOPIPTSA-N 2 0 330.476 2.129 10 0 EEAERP C[C@H]1COCCN1CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000514936986 467964661 /nfs/dbraw/zinc/96/46/61/467964661.db2.gz BIGIARYYJZBGOJ-ICSRJNTNSA-N 2 0 343.515 2.494 10 0 EEAERP Cc1nc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2s1 ZINC000494008234 468017158 /nfs/dbraw/zinc/01/71/58/468017158.db2.gz VOUWARXTQUXGNT-OAHLLOKOSA-N 2 0 346.500 2.282 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000531443053 468053540 /nfs/dbraw/zinc/05/35/40/468053540.db2.gz VJDVRTSGKYEEGA-HKUYNNGSSA-N 2 0 342.487 2.349 10 0 EEAERP CC(C)C1CC([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000488427278 468086850 /nfs/dbraw/zinc/08/68/50/468086850.db2.gz BEJHKGWOKBGJBW-ACBHZAAOSA-N 2 0 331.504 2.300 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000518711426 468123945 /nfs/dbraw/zinc/12/39/45/468123945.db2.gz WRWWJLYOFKYXQG-QGZVFWFLSA-N 2 0 344.503 2.455 10 0 EEAERP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594510893 468613001 /nfs/dbraw/zinc/61/30/01/468613001.db2.gz PMMPYDLHFYWQDM-GRDNDAEWSA-N 2 0 347.459 2.120 10 0 EEAERP [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000557339429 468626959 /nfs/dbraw/zinc/62/69/59/468626959.db2.gz SHGZNANYNLGVDD-DOTOQJQBSA-N 2 0 334.464 2.446 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000595007814 468741802 /nfs/dbraw/zinc/74/18/02/468741802.db2.gz PGJPMFSGUSUWAQ-IAGOWNOFSA-N 2 0 341.540 2.216 10 0 EEAERP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595075253 468752676 /nfs/dbraw/zinc/75/26/76/468752676.db2.gz XPZNJFFQAFKRTB-MAUKXSAKSA-N 2 0 348.487 2.463 10 0 EEAERP 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/nfs/dbraw/zinc/26/01/84/469260184.db2.gz RWEUSKZWNDAYRV-UHFFFAOYSA-N 2 0 334.508 2.179 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000603593419 469415831 /nfs/dbraw/zinc/41/58/31/469415831.db2.gz GZTHAOWZUHQVAV-GOSISDBHSA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)(CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCCC1 ZINC000625941677 469443422 /nfs/dbraw/zinc/44/34/22/469443422.db2.gz SENFPLSWWNLYPY-UHFFFAOYSA-N 2 0 346.475 2.412 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000629453886 469548279 /nfs/dbraw/zinc/54/82/79/469548279.db2.gz KTJAVYNQDZLBKO-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000617010459 469570953 /nfs/dbraw/zinc/57/09/53/469570953.db2.gz PLMRWFFLFIPKAM-GOSISDBHSA-N 2 0 329.488 2.424 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533226 469573860 /nfs/dbraw/zinc/57/38/60/469573860.db2.gz OJUZEENSUXBXIE-KBPBESRZSA-N 2 0 335.414 2.109 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531864 469574249 /nfs/dbraw/zinc/57/42/49/469574249.db2.gz BLVCCMZNKBKPHX-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CN(C(=O)N[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612977862 469597789 /nfs/dbraw/zinc/59/77/89/469597789.db2.gz RCHWUJQEVMYBJY-ROUUACIJSA-N 2 0 342.487 2.044 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629660372 469601617 /nfs/dbraw/zinc/60/16/17/469601617.db2.gz SLAONZNEPFEBHV-MJGOQNOKSA-N 2 0 330.520 2.449 10 0 EEAERP C[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627089178 469811139 /nfs/dbraw/zinc/81/11/39/469811139.db2.gz KXQUPLBMHVVABV-RNCFNFMXSA-N 2 0 333.263 2.243 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131883 469820963 /nfs/dbraw/zinc/82/09/63/469820963.db2.gz XTYNPZATTOWBOD-KRWDZBQOSA-N 2 0 344.503 2.481 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133881 469820982 /nfs/dbraw/zinc/82/09/82/469820982.db2.gz DUYRVHYRNDOYCO-QGZVFWFLSA-N 2 0 330.476 2.044 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000627167794 469831907 /nfs/dbraw/zinc/83/19/07/469831907.db2.gz MWTUHVZBNZYVQS-OKZBNKHCSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)C[NH2+]1 ZINC000627195501 469840293 /nfs/dbraw/zinc/84/02/93/469840293.db2.gz LGCUVNKDYFNEKF-MJGOQNOKSA-N 2 0 346.519 2.333 10 0 EEAERP C[C@@H]1C[C@@H]([N@H+](C)CCc2cn(C)nn2)CCN1Cc1ccccc1 ZINC000625222249 470097685 /nfs/dbraw/zinc/09/76/85/470097685.db2.gz MKDOARJEBIMGNU-APWZRJJASA-N 2 0 327.476 2.343 10 0 EEAERP C[NH+]1CCC(N2CC[C@H](NC(=O)c3nccc4ccsc43)C2)CC1 ZINC000625518557 470159705 /nfs/dbraw/zinc/15/97/05/470159705.db2.gz CZUJNLKKSKOVCY-AWEZNQCLSA-N 2 0 344.484 2.195 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)C2 ZINC000634744061 470290541 /nfs/dbraw/zinc/29/05/41/470290541.db2.gz MOAJKJPMYJYDNH-OYRHEFFESA-N 2 0 341.499 2.300 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000638837302 470299854 /nfs/dbraw/zinc/29/98/54/470299854.db2.gz ZALQAMQMUYXLNM-OQIJWPOYSA-N 2 0 329.488 2.246 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648723768 470326661 /nfs/dbraw/zinc/32/66/61/470326661.db2.gz NJZFPPYFXMRISF-HZPDHXFCSA-N 2 0 330.476 2.107 10 0 EEAERP C[C@@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000633078166 470342290 /nfs/dbraw/zinc/34/22/90/470342290.db2.gz IFNUYAZUKWFWRP-KRWDZBQOSA-N 2 0 336.524 2.378 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000646911549 470772777 /nfs/dbraw/zinc/77/27/77/470772777.db2.gz AMBQMWZOLVELNO-OALUTQOASA-N 2 0 327.472 2.449 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@H](c2ccccc2)C1 ZINC000636070428 470868130 /nfs/dbraw/zinc/86/81/30/470868130.db2.gz BBZTZEWGTAVGET-YZGWKJHDSA-N 2 0 341.499 2.465 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744287 470957218 /nfs/dbraw/zinc/95/72/18/470957218.db2.gz KJPQYVLKMOCOSQ-CYBMUJFWSA-N 2 0 325.478 2.228 10 0 EEAERP O=C(CCC1C[NH2+]C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000638112999 470969981 /nfs/dbraw/zinc/96/99/81/470969981.db2.gz MGYHFBBSZBKHLZ-YQQQUEKLSA-N 2 0 327.472 2.298 10 0 EEAERP O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899375 471010581 /nfs/dbraw/zinc/01/05/81/471010581.db2.gz IWTSZVAAWCHLOW-NVXWUHKLSA-N 2 0 335.879 2.420 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000654554179 471068770 /nfs/dbraw/zinc/06/87/70/471068770.db2.gz VSVFFJMTZBYUHD-RYQLBKOJSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCNC2=O)CC1 ZINC000657276326 471082124 /nfs/dbraw/zinc/08/21/24/471082124.db2.gz AUYLHZIUOJBBFZ-AEFFLSMTSA-N 2 0 329.488 2.198 10 0 EEAERP FC(F)(F)CN1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657342231 471105553 /nfs/dbraw/zinc/10/55/53/471105553.db2.gz VOSIYYVMSCQRBF-UHFFFAOYSA-N 2 0 339.365 2.384 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNCc2cc3n(n2)CCC3)cc1 ZINC000657355096 471110439 /nfs/dbraw/zinc/11/04/39/471110439.db2.gz ZSJLRZXODMOEKW-UHFFFAOYSA-N 2 0 328.460 2.450 10 0 EEAERP Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000657421597 471133099 /nfs/dbraw/zinc/13/30/99/471133099.db2.gz OJIUBGBNHSVBPN-UHFFFAOYSA-N 2 0 343.475 2.313 10 0 EEAERP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104244 471139022 /nfs/dbraw/zinc/13/90/22/471139022.db2.gz KHOCCIRFCDRJGK-DOTOQJQBSA-N 2 0 330.476 2.017 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4nccn43)cc2)C1 ZINC000657594494 471178218 /nfs/dbraw/zinc/17/82/18/471178218.db2.gz AUROIYGJBRCCOC-IBGZPJMESA-N 2 0 336.439 2.191 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000657596871 471180094 /nfs/dbraw/zinc/18/00/94/471180094.db2.gz PCHFBCAGLHOZQS-RBUKOAKNSA-N 2 0 330.472 2.445 10 0 EEAERP COCCOCC[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000651484863 471185151 /nfs/dbraw/zinc/18/51/51/471185151.db2.gz LMUUNDFLOCMSKV-UHFFFAOYSA-N 2 0 329.444 2.328 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657801383 471235917 /nfs/dbraw/zinc/23/59/17/471235917.db2.gz QJBPIVQMDYFMGB-PCCBWWKXSA-N 2 0 342.531 2.019 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000652117157 471237994 /nfs/dbraw/zinc/23/79/94/471237994.db2.gz DQSVWJGBYDDHJB-QGZVFWFLSA-N 2 0 330.476 2.252 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000652137262 471242797 /nfs/dbraw/zinc/24/27/97/471242797.db2.gz DVRFLTZGGKYYQN-CVEARBPZSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000652160341 471247801 /nfs/dbraw/zinc/24/78/01/471247801.db2.gz UXBNQGDFWMPKFY-AYHJJNSGSA-N 2 0 330.476 2.221 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652268992 471264548 /nfs/dbraw/zinc/26/45/48/471264548.db2.gz SQCVKCBPBLGAQU-UHFFFAOYSA-N 2 0 330.407 2.003 10 0 EEAERP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652361119 471279210 /nfs/dbraw/zinc/27/92/10/471279210.db2.gz YLTVWDAQCRCLDN-KBAYOESNSA-N 2 0 331.460 2.294 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243312 471289954 /nfs/dbraw/zinc/28/99/54/471289954.db2.gz WMHHGZHHBRBILT-WNRNVDISSA-N 2 0 339.524 2.111 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000652617012 471314604 /nfs/dbraw/zinc/31/46/04/471314604.db2.gz LWMOROOMSMJBIP-UHFFFAOYSA-N 2 0 340.431 2.406 10 0 EEAERP COCC[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000652926993 471418444 /nfs/dbraw/zinc/41/84/44/471418444.db2.gz UTRHRSGJOXRBDQ-SFHVURJKSA-N 2 0 347.503 2.249 10 0 EEAERP CCN1OC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000660622214 471419334 /nfs/dbraw/zinc/41/93/34/471419334.db2.gz DBSJGAKTTBFYOG-GOSISDBHSA-N 2 0 343.471 2.137 10 0 EEAERP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CS1 ZINC000655709233 471451672 /nfs/dbraw/zinc/45/16/72/471451672.db2.gz ZRXUSENBUIXJAZ-PBHICJAKSA-N 2 0 335.517 2.352 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659028790 471474003 /nfs/dbraw/zinc/47/40/03/471474003.db2.gz PJWMJAXXFCKBFQ-SFHVURJKSA-N 2 0 346.475 2.342 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659036367 471477968 /nfs/dbraw/zinc/47/79/68/471477968.db2.gz RHCHTODUARAXQA-KRWDZBQOSA-N 2 0 334.464 2.201 10 0 EEAERP C[C@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(C)(C)C[NH+](C)C ZINC000659039604 471483110 /nfs/dbraw/zinc/48/31/10/471483110.db2.gz LTHSMQNSKBXZEN-YOEHRIQHSA-N 2 0 348.491 2.445 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380874 471599020 /nfs/dbraw/zinc/59/90/20/471599020.db2.gz GZNNKULUPHJNAI-BHIYHBOVSA-N 2 0 341.499 2.260 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659432560 471624406 /nfs/dbraw/zinc/62/44/06/471624406.db2.gz CKXQWWFEPFMJMA-UHFFFAOYSA-N 2 0 330.476 2.078 10 0 EEAERP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656270104 471662529 /nfs/dbraw/zinc/66/25/29/471662529.db2.gz YQBLXMMVADCTDZ-HRCADAONSA-N 2 0 333.476 2.263 10 0 EEAERP [NH3+][C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659612423 471699877 /nfs/dbraw/zinc/69/98/77/471699877.db2.gz VBUKKYZXKDBJPL-ZWKOTPCHSA-N 2 0 342.487 2.031 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616839 471700746 /nfs/dbraw/zinc/70/07/46/471700746.db2.gz KXOCECQKNGNTFP-UHFFFAOYSA-N 2 0 344.503 2.292 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000661404868 471746194 /nfs/dbraw/zinc/74/61/94/471746194.db2.gz AOFZMZIXGYWZSU-ROUUACIJSA-N 2 0 344.503 2.433 10 0 EEAERP Cc1cc(Br)c(CNC[C@@H](O)C[N@@H+](C)C2CC2)s1 ZINC000656715341 471817310 /nfs/dbraw/zinc/81/73/10/471817310.db2.gz SAULEJWBJJUWQM-LLVKDONJSA-N 2 0 333.295 2.364 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC000664875127 471887035 /nfs/dbraw/zinc/88/70/35/471887035.db2.gz WAVBQBNDNKMCMG-HRCADAONSA-N 2 0 336.480 2.444 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667789601 471905036 /nfs/dbraw/zinc/90/50/36/471905036.db2.gz SWTJWYIXSRGWFM-NHCUHLMSSA-N 2 0 343.515 2.481 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000654346139 471920687 /nfs/dbraw/zinc/92/06/87/471920687.db2.gz LEUMGQLDBVHKFI-IZAXUBKRSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662351454 472081350 /nfs/dbraw/zinc/08/13/50/472081350.db2.gz KROCWVSDYNSMPF-CQSZACIVSA-N 2 0 334.464 2.136 10 0 EEAERP O=C(N1CCC[N@H+](Cc2ccccc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662392861 472095453 /nfs/dbraw/zinc/09/54/53/472095453.db2.gz ZAXLJPUUJWKDBK-UHFFFAOYSA-N 2 0 327.472 2.396 10 0 EEAERP C[C@H]1C[C@H](CCNC(=O)C[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000662507615 472133096 /nfs/dbraw/zinc/13/30/96/472133096.db2.gz VIZFORTZWJXRKT-UHOSZYNNSA-N 2 0 329.488 2.403 10 0 EEAERP [NH3+]CCCN(CC1CCCC1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662562755 472155832 /nfs/dbraw/zinc/15/58/32/472155832.db2.gz ABERACWCSFQJTG-UHFFFAOYSA-N 2 0 334.464 2.123 10 0 EEAERP C[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662796590 472256196 /nfs/dbraw/zinc/25/61/96/472256196.db2.gz AMJMJQRBCMXNNW-BLLLJJGKSA-N 2 0 339.842 2.470 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000651194437 485532252 /nfs/dbraw/zinc/53/22/52/485532252.db2.gz GRBPSQGISDGDBR-INIZCTEOSA-N 2 0 326.529 2.336 10 0 EEAERP CCC[C@H](C)CCC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542875 485730647 /nfs/dbraw/zinc/73/06/47/485730647.db2.gz OADCJISWPPQGSL-JQHSSLGASA-N 2 0 336.524 2.423 10 0 EEAERP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000684384357 485865342 /nfs/dbraw/zinc/86/53/42/485865342.db2.gz VZHOYJWIKHXJOO-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP C[NH+](C)C1(CNc2nccnc2NCC2([NH+](C)C)CCC2)CCC1 ZINC000682080838 486418546 /nfs/dbraw/zinc/41/85/46/486418546.db2.gz TXWUSTYDRYVKEJ-UHFFFAOYSA-N 2 0 332.496 2.269 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415933165 533828161 /nfs/dbraw/zinc/82/81/61/533828161.db2.gz FJRZMUHUSSOIRI-GASCZTMLSA-N 2 0 334.464 2.409 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000181052518 534026772 /nfs/dbraw/zinc/02/67/72/534026772.db2.gz CJIBJEFCHDPYNY-MJGOQNOKSA-N 2 0 342.487 2.163 10 0 EEAERP C[NH+](C)[C@@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc2)C1 ZINC000774300147 577394272 /nfs/dbraw/zinc/39/42/72/577394272.db2.gz AJGVYHSIHCOSJW-YCXXCVGLSA-N 2 0 329.492 2.259 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(Cl)n1 ZINC000769709439 577582801 /nfs/dbraw/zinc/58/28/01/577582801.db2.gz JQWDJESOQFUTLV-UHFFFAOYSA-N 2 0 332.901 2.142 10 0 EEAERP C(C[NH+]1CCCC1)N1CCN(CC[NH+]2CCCC2)C2(CCCCC2)C1 ZINC000760863297 577670972 /nfs/dbraw/zinc/67/09/72/577670972.db2.gz RLUSZENGMVISSC-UHFFFAOYSA-N 2 0 348.579 2.499 10 0 EEAERP c1cn2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)sc2n1 ZINC000895308508 684476099 /nfs/dbraw/zinc/47/60/99/684476099.db2.gz KMLPLEOHKQDMFK-UHFFFAOYSA-N 2 0 334.489 2.376 10 0 EEAERP C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926956153 693040357 /nfs/dbraw/zinc/04/03/57/693040357.db2.gz UASGLYJDRGYVOW-AWEZNQCLSA-N 2 0 326.506 2.470 10 0 EEAERP Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]cn4)[C@@H]3C2)c1 ZINC001485617000 1191864002 /nfs/dbraw/zinc/86/40/02/1191864002.db2.gz YIVCMYNVBJRYPT-AXUOBQJMSA-N 2 0 338.455 2.316 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cccc(CC)c3)C[C@H]21 ZINC001485623472 1191866632 /nfs/dbraw/zinc/86/66/32/1191866632.db2.gz LDIBVIQJEBMUFR-OWZKRDHZSA-N 2 0 343.515 2.385 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266251375 1176026673 /nfs/dbraw/zinc/02/66/73/1176026673.db2.gz CAZNORWJAZZMMP-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccnn1C)C(C)C ZINC001691767115 1176081563 /nfs/dbraw/zinc/08/15/63/1176081563.db2.gz KYVKJKPQACJSTG-GOSISDBHSA-N 2 0 349.523 2.011 10 0 EEAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865869 1176138624 /nfs/dbraw/zinc/13/86/24/1176138624.db2.gz QXOIZWYBYXDIRZ-KDOFPFPSSA-N 2 0 333.451 2.277 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCCCCF)C[C@H]32)C1 ZINC001690977157 1176410342 /nfs/dbraw/zinc/41/03/42/1176410342.db2.gz FJVZZNIIYDGMMX-GVDBMIGSSA-N 2 0 325.472 2.001 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001266561832 1176849530 /nfs/dbraw/zinc/84/95/30/1176849530.db2.gz HOYQHMUTVTWFLO-KRWDZBQOSA-N 2 0 335.467 2.291 10 0 EEAERP CC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCF ZINC001670587108 1176930618 /nfs/dbraw/zinc/93/06/18/1176930618.db2.gz FUDUOZNQFIGBOY-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626761 1177021755 /nfs/dbraw/zinc/02/17/55/1177021755.db2.gz VYFHVTGWJADDTL-BRSBDYLESA-N 2 0 337.508 2.055 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001266724620 1177308977 /nfs/dbraw/zinc/30/89/77/1177308977.db2.gz VNJFOCPOUNEUBI-LBPRGKRZSA-N 2 0 336.307 2.103 10 0 EEAERP CN(CC[NH2+]CC1CCOCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001266787459 1177428669 /nfs/dbraw/zinc/42/86/69/1177428669.db2.gz HWGFQTSJQHGNJE-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)CCC[NH+](C)C ZINC001266819142 1177481828 /nfs/dbraw/zinc/48/18/28/1177481828.db2.gz AHPIZJOWAYNORC-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001266820428 1177485350 /nfs/dbraw/zinc/48/53/50/1177485350.db2.gz MURFDOLISXCXOH-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1)C1CCC1 ZINC001266870962 1177658397 /nfs/dbraw/zinc/65/83/97/1177658397.db2.gz RFEXYMJJWRMCDC-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCCC[C@@H]1C[NH2+]CCF ZINC001266879437 1177692185 /nfs/dbraw/zinc/69/21/85/1177692185.db2.gz ABWCLCJTHXEOKP-QGZVFWFLSA-N 2 0 325.472 2.049 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001691346048 1177942197 /nfs/dbraw/zinc/94/21/97/1177942197.db2.gz MTKDGRHZUFYUBA-SFHVURJKSA-N 2 0 348.491 2.246 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001266995605 1178053517 /nfs/dbraw/zinc/05/35/17/1178053517.db2.gz VMADJEKUGCYJOY-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP CN(CCNC(=O)CC1CC[NH+](C)CC1)Cc1nc2ccccc2o1 ZINC001480920256 1178332946 /nfs/dbraw/zinc/33/29/46/1178332946.db2.gz KSMOOYULPDKVKO-UHFFFAOYSA-N 2 0 344.459 2.108 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCF ZINC001691439444 1178585216 /nfs/dbraw/zinc/58/52/16/1178585216.db2.gz ZBWQXPKJZYNWRL-MHORFTMASA-N 2 0 339.499 2.247 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001750944440 1178611402 /nfs/dbraw/zinc/61/14/02/1178611402.db2.gz LKQHJZIRBMRXMI-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@@H]1CCC(F)(F)C1 ZINC001480975257 1179406820 /nfs/dbraw/zinc/40/68/20/1179406820.db2.gz MYYLJRAAYLSIME-GDBMZVCRSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCOC1CCC1)[NH+]1CCCC1 ZINC001481052224 1179633660 /nfs/dbraw/zinc/63/36/60/1179633660.db2.gz LHCDXOFNBFNGAU-MRXNPFEDSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001481256016 1180487713 /nfs/dbraw/zinc/48/77/13/1180487713.db2.gz BMDWICMAOABUAL-UHFFFAOYSA-N 2 0 329.448 2.365 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001267971675 1180886280 /nfs/dbraw/zinc/88/62/80/1180886280.db2.gz BFURAQGCMNRJLR-GOSISDBHSA-N 2 0 348.491 2.330 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCOC(C)C)CCCC1 ZINC001268041894 1181468456 /nfs/dbraw/zinc/46/84/56/1181468456.db2.gz GWRHVTUWZOADOZ-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1nc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)cs1 ZINC001268067442 1181662073 /nfs/dbraw/zinc/66/20/73/1181662073.db2.gz DQZQMWZGDZAHLI-BBRMVZONSA-N 2 0 340.537 2.017 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001268130945 1181782686 /nfs/dbraw/zinc/78/26/86/1181782686.db2.gz JAEXIUNMLAIRCN-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCCCF ZINC001268136105 1181790757 /nfs/dbraw/zinc/79/07/57/1181790757.db2.gz SPTDYZIQFFYREH-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268179124 1181961636 /nfs/dbraw/zinc/96/16/36/1181961636.db2.gz QDUAYALNIIYEHJ-ZWKOTPCHSA-N 2 0 347.503 2.234 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001481703554 1182248151 /nfs/dbraw/zinc/24/81/51/1182248151.db2.gz UWPVAPRGILGFDS-PWIZWCRZSA-N 2 0 343.515 2.322 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC001268378406 1182398576 /nfs/dbraw/zinc/39/85/76/1182398576.db2.gz WCDIBWQZLNNYMF-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc(CCC[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001268425243 1182597209 /nfs/dbraw/zinc/59/72/09/1182597209.db2.gz ZPTDMFIOTWAVBR-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1ncc(C[NH2+]C[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C2CC2)o1 ZINC001481929599 1182974297 /nfs/dbraw/zinc/97/42/97/1182974297.db2.gz BSTLLZXBNBUBLN-LPHOPBHVSA-N 2 0 348.491 2.232 10 0 EEAERP COc1ccncc1CC(=O)N[C@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001481932790 1182983779 /nfs/dbraw/zinc/98/37/79/1182983779.db2.gz CHLARVGRAIHBRB-LJQANCHMSA-N 2 0 331.460 2.307 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001481982236 1183078170 /nfs/dbraw/zinc/07/81/70/1183078170.db2.gz IRSUAFIHNZIRNU-ODUNQGDFSA-N 2 0 336.307 2.475 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001268588532 1183390167 /nfs/dbraw/zinc/39/01/67/1183390167.db2.gz SCZJODQZKNJWLE-QDLOVBKTSA-N 2 0 337.414 2.166 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001268596226 1183443747 /nfs/dbraw/zinc/44/37/47/1183443747.db2.gz MGVMAAONEHPZQQ-PYTPGESOSA-N 2 0 330.476 2.107 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001482158533 1183476436 /nfs/dbraw/zinc/47/64/36/1183476436.db2.gz FWHVSMCIEDJCNI-SJORKVTESA-N 2 0 346.519 2.389 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268604241 1183506615 /nfs/dbraw/zinc/50/66/15/1183506615.db2.gz YBISIONNRYSPJF-SNAWJCMRSA-N 2 0 342.443 2.120 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268791108 1183707295 /nfs/dbraw/zinc/70/72/95/1183707295.db2.gz KXKVTHMKLLFPLH-KRWDZBQOSA-N 2 0 336.480 2.102 10 0 EEAERP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268794143 1183710639 /nfs/dbraw/zinc/71/06/39/1183710639.db2.gz XEPKTAVITVDZTO-CYBMUJFWSA-N 2 0 334.291 2.085 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001269989124 1184767708 /nfs/dbraw/zinc/76/77/08/1184767708.db2.gz MPWDLWVOYHPDSE-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482299625 1185198211 /nfs/dbraw/zinc/19/82/11/1185198211.db2.gz RZSJXVCPOQIPSD-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001482531852 1186529581 /nfs/dbraw/zinc/52/95/81/1186529581.db2.gz BXLLLNWXVOWLPW-IAGOWNOFSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@H]1CCOC1 ZINC001482545349 1186640543 /nfs/dbraw/zinc/64/05/43/1186640543.db2.gz PSXUMGCFYNTUJJ-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CN(CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccc(F)cn1 ZINC001482606561 1187361056 /nfs/dbraw/zinc/36/10/56/1187361056.db2.gz RZDGHNSDPUMAGA-QZTJIDSGSA-N 2 0 348.466 2.128 10 0 EEAERP CN(CC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)C[NH+]1CCCC1 ZINC001482648964 1187479579 /nfs/dbraw/zinc/47/95/79/1187479579.db2.gz DFAONRHUIQRIDF-UHFFFAOYSA-N 2 0 331.451 2.298 10 0 EEAERP Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)o1 ZINC001482663861 1187509476 /nfs/dbraw/zinc/50/94/76/1187509476.db2.gz CJOSSBIAJCNCHH-SJORKVTESA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)o1 ZINC001482852356 1187772155 /nfs/dbraw/zinc/77/21/55/1187772155.db2.gz VBZWVXCYISHJOA-HNNXBMFYSA-N 2 0 348.491 2.411 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F)[NH+](C)C ZINC001483022908 1188012366 /nfs/dbraw/zinc/01/23/66/1188012366.db2.gz LUULYNKAVWAUKB-HQYUYXFKSA-N 2 0 333.451 2.415 10 0 EEAERP C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)c1c(F)cccc1F ZINC001483093087 1188460164 /nfs/dbraw/zinc/46/01/64/1188460164.db2.gz NHOFZCUMRREKQB-NMEQGOOXSA-N 2 0 337.414 2.240 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001483138324 1188689440 /nfs/dbraw/zinc/68/94/40/1188689440.db2.gz YURHESLQQBEASR-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272864905 1193583419 /nfs/dbraw/zinc/58/34/19/1193583419.db2.gz JGKNQTCUEKESRQ-CXAGYDPISA-N 2 0 334.464 2.021 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001483197376 1189083005 /nfs/dbraw/zinc/08/30/05/1189083005.db2.gz HNUPXHGDZNDUHR-CRAIPNDOSA-N 2 0 332.492 2.167 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485882915 1193628642 /nfs/dbraw/zinc/62/86/42/1193628642.db2.gz XOTPPZYXIYTSBR-HNNXBMFYSA-N 2 0 349.523 2.193 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCc1ccccc1 ZINC001409404016 1189631537 /nfs/dbraw/zinc/63/15/37/1189631537.db2.gz URADILOZJRWMQJ-IRXDYDNUSA-N 2 0 329.488 2.340 10 0 EEAERP CON1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000905760267 1189912960 /nfs/dbraw/zinc/91/29/60/1189912960.db2.gz HVVDAFRXMNMKOR-GOSISDBHSA-N 2 0 343.427 2.164 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc2c(c1)COC2 ZINC001409572531 1190045497 /nfs/dbraw/zinc/04/54/97/1190045497.db2.gz BJFFFQMYTCWQPR-HNAYVOBHSA-N 2 0 345.487 2.138 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485945286 1193654249 /nfs/dbraw/zinc/65/42/49/1193654249.db2.gz VFYDBHRNEVOYKT-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cccc2c1CCOC2 ZINC001409682226 1190182223 /nfs/dbraw/zinc/18/22/23/1190182223.db2.gz GPTWJJHLAWVMNA-MRXNPFEDSA-N 2 0 347.503 2.036 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001483356752 1190395415 /nfs/dbraw/zinc/39/54/15/1190395415.db2.gz MWPVRAJRBWVHLJ-MRXNPFEDSA-N 2 0 344.503 2.263 10 0 EEAERP Cc1cccc(OCC[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001483486525 1190506575 /nfs/dbraw/zinc/50/65/75/1190506575.db2.gz ZLBUAKNOMUYKCL-IBGZPJMESA-N 2 0 347.503 2.296 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC001486130738 1193689913 /nfs/dbraw/zinc/68/99/13/1193689913.db2.gz SJXXKEUNYWGZFY-MAUKXSAKSA-N 2 0 349.523 2.193 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1ocnc1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001409818978 1190649409 /nfs/dbraw/zinc/64/94/09/1190649409.db2.gz RNNVMDHXWYHZJY-DLBZAZTESA-N 2 0 348.491 2.089 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2)[NH+](C)C ZINC001486146332 1193697396 /nfs/dbraw/zinc/69/73/96/1193697396.db2.gz MTTLZAANHATFJM-YQVWRLOYSA-N 2 0 330.476 2.035 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001483683399 1190745286 /nfs/dbraw/zinc/74/52/86/1190745286.db2.gz ZLEHDQYMZFZGCP-AZUAARDMSA-N 2 0 343.515 2.460 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483784400 1191026267 /nfs/dbraw/zinc/02/62/67/1191026267.db2.gz SMYBWHYFHKBJPD-INIZCTEOSA-N 2 0 340.471 2.248 10 0 EEAERP CCOCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001483801095 1191042255 /nfs/dbraw/zinc/04/22/55/1191042255.db2.gz GCTPEKXLAAAAIA-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCF ZINC001483824465 1191075114 /nfs/dbraw/zinc/07/51/14/1191075114.db2.gz KBEYKWUIUXGCMM-OWCLPIDISA-N 2 0 331.451 2.091 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001483865516 1191097859 /nfs/dbraw/zinc/09/78/59/1191097859.db2.gz BQGFGVUGFHUDCG-MRXNPFEDSA-N 2 0 327.488 2.245 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001483914358 1191114660 /nfs/dbraw/zinc/11/46/60/1191114660.db2.gz NNOBMEHGSVIJMZ-HUUCEWRRSA-N 2 0 338.521 2.261 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001483910464 1191120820 /nfs/dbraw/zinc/12/08/20/1191120820.db2.gz ZNSLXYWVHZUDFX-AEFFLSMTSA-N 2 0 346.519 2.173 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484013313 1191155532 /nfs/dbraw/zinc/15/55/32/1191155532.db2.gz SGPXOQXXGARSEU-ZBFHGGJFSA-N 2 0 325.472 2.095 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001484116106 1191218270 /nfs/dbraw/zinc/21/82/70/1191218270.db2.gz VUDJJILGGANTNO-UZLBHIALSA-N 2 0 344.503 2.060 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]1C[N@@H+](CC2CC2)CCC1(F)F ZINC001484196866 1191268618 /nfs/dbraw/zinc/26/86/18/1191268618.db2.gz AGPJAKXWXQESTH-MRXNPFEDSA-N 2 0 343.462 2.346 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C[NH2+]CCCF ZINC001484373996 1191321977 /nfs/dbraw/zinc/32/19/77/1191321977.db2.gz NHTDJYUTXDTTDA-AEFFLSMTSA-N 2 0 349.494 2.448 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC2)on1 ZINC001484663117 1191462919 /nfs/dbraw/zinc/46/29/19/1191462919.db2.gz HXCWTZTYDUOQMR-QGZVFWFLSA-N 2 0 348.491 2.232 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@H](C[NH2+]CCC2CC2)C1 ZINC001484680058 1191464611 /nfs/dbraw/zinc/46/46/11/1191464611.db2.gz JTQVXFXLWVBFGK-MOPGFXCFSA-N 2 0 349.519 2.011 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)[C@H](C)c2cnccn2)CC[N@@H+]1C ZINC001484743021 1191494730 /nfs/dbraw/zinc/49/47/30/1191494730.db2.gz BBUCZBXEUYXXDJ-SOLBZPMBSA-N 2 0 347.507 2.048 10 0 EEAERP CCC1([NH2+]Cc2conc2C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001484820078 1191539720 /nfs/dbraw/zinc/53/97/20/1191539720.db2.gz FGBYOZXSOVUWBC-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001484983788 1191601497 /nfs/dbraw/zinc/60/14/97/1191601497.db2.gz YEOACWQZEMOSPL-HOCLYGCPSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)=CC[NH2+]CCCOC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485444101 1191787335 /nfs/dbraw/zinc/78/73/35/1191787335.db2.gz VTSCUXLKYUZCJJ-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C)no3)[C@@H]2C1 ZINC001486166459 1193709238 /nfs/dbraw/zinc/70/92/38/1193709238.db2.gz KFZNLUKHQOVZDY-JQHSSLGASA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC2(C)C)on1 ZINC001486249439 1193776040 /nfs/dbraw/zinc/77/60/40/1193776040.db2.gz GZHRQKSXZGGBNK-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001486473804 1193987355 /nfs/dbraw/zinc/98/73/55/1193987355.db2.gz FENWWZKSXOXFTJ-NFOMZHRRSA-N 2 0 343.462 2.343 10 0 EEAERP CC(C)(C(=O)NCC1=CC[N@H+](CCOC2CCC2)CC1)[NH+]1CCCC1 ZINC001486512658 1194031528 /nfs/dbraw/zinc/03/15/28/1194031528.db2.gz IRACBWIFNLUXEW-UHFFFAOYSA-N 2 0 349.519 2.178 10 0 EEAERP C[C@@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520544 1194042147 /nfs/dbraw/zinc/04/21/47/1194042147.db2.gz DVHXBFFKZXGMRJ-MJGOQNOKSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001273053103 1194357467 /nfs/dbraw/zinc/35/74/67/1194357467.db2.gz TXXPKNJIQHSUGE-WMLDXEAASA-N 2 0 336.480 2.230 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001273098372 1194382659 /nfs/dbraw/zinc/38/26/59/1194382659.db2.gz JWUGYLLXYLXLRX-MRXNPFEDSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001273131668 1194426898 /nfs/dbraw/zinc/42/68/98/1194426898.db2.gz VRNVAALCUMBZOM-KDOFPFPSSA-N 2 0 346.475 2.398 10 0 EEAERP C[C@@]12CN(C(=O)c3c[nH+]ccc3N)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702121556 1195747976 /nfs/dbraw/zinc/74/79/76/1195747976.db2.gz DXMCRBQUTFNTJS-OXJNMPFZSA-N 2 0 336.439 2.088 10 0 EEAERP C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[NH+]1CCCCCC1 ZINC001410107783 1197551906 /nfs/dbraw/zinc/55/19/06/1197551906.db2.gz FRLXBAMCOCPTLT-OWYHZJEWSA-N 2 0 333.520 2.345 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC001410197271 1197597777 /nfs/dbraw/zinc/59/77/77/1197597777.db2.gz WQKHAGVVATZOQP-OWCLPIDISA-N 2 0 343.462 2.200 10 0 EEAERP C[C@H](NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000865245421 1198138881 /nfs/dbraw/zinc/13/88/81/1198138881.db2.gz KJRDYMYVKQQLSE-CGTJXYLNSA-N 2 0 348.560 2.293 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001410872730 1198525509 /nfs/dbraw/zinc/52/55/09/1198525509.db2.gz XQAHDSUXJUQJGD-SJLPKXTDSA-N 2 0 347.503 2.423 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001410908461 1198574332 /nfs/dbraw/zinc/57/43/32/1198574332.db2.gz CLSJYYXKQHQHIR-SOUVJXGZSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC001411222278 1198932241 /nfs/dbraw/zinc/93/22/41/1198932241.db2.gz KGLHDQLQLDTTQB-MSOLQXFVSA-N 2 0 349.519 2.181 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001411241194 1198958256 /nfs/dbraw/zinc/95/82/56/1198958256.db2.gz WJYUTKUOYWJONE-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2c(F)cccc2F)C1)[NH+](C)C ZINC001411269127 1199009934 /nfs/dbraw/zinc/00/99/34/1199009934.db2.gz BKNYKRXYPQUELU-FVKWTLKZSA-N 2 0 339.430 2.384 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000810429005 1199507175 /nfs/dbraw/zinc/50/71/75/1199507175.db2.gz UBMVSZJKROZDLQ-CRAIPNDOSA-N 2 0 325.472 2.143 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CC[C@@H]21 ZINC000810580041 1199604730 /nfs/dbraw/zinc/60/47/30/1199604730.db2.gz LOEBGUXMPPXKLX-VKJFTORMSA-N 2 0 325.472 2.142 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@]2(F)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870018051 1200409624 /nfs/dbraw/zinc/40/96/24/1200409624.db2.gz UZQIFAAONGKHDY-CIWUYKSXSA-N 2 0 347.478 2.069 10 0 EEAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870909146 1200944885 /nfs/dbraw/zinc/94/48/85/1200944885.db2.gz AOXYMMPWIKEZOD-AWEZNQCLSA-N 2 0 342.281 2.249 10 0 EEAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CCC1(C)C ZINC000871153732 1201073043 /nfs/dbraw/zinc/07/30/43/1201073043.db2.gz TVCUPOCGVBHRLA-GOSISDBHSA-N 2 0 344.503 2.236 10 0 EEAERP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411563 1201510663 /nfs/dbraw/zinc/51/06/63/1201510663.db2.gz PTVMYALNSRYQQB-WBVHZDCISA-N 2 0 347.503 2.401 10 0 EEAERP CN1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000866518121 1201538129 /nfs/dbraw/zinc/53/81/29/1201538129.db2.gz VCPKZRSTTYXGHJ-DBDQLMEASA-N 2 0 348.512 2.454 10 0 EEAERP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000867978625 1201718877 /nfs/dbraw/zinc/71/88/77/1201718877.db2.gz QHRNZRXEJBKZQV-UONOGXRCSA-N 2 0 340.265 2.083 10 0 EEAERP C[C@H]1C[NH+](CCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000868187849 1201760236 /nfs/dbraw/zinc/76/02/36/1201760236.db2.gz NLXMLJGHZKUYPV-DFEHZGFQSA-N 2 0 346.475 2.122 10 0 EEAERP Cc1ccccc1CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001274263211 1204980008 /nfs/dbraw/zinc/98/00/08/1204980008.db2.gz OFJKEUDUHSSNEN-SFFCAUCYSA-N 2 0 329.488 2.284 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001274578317 1205085957 /nfs/dbraw/zinc/08/59/57/1205085957.db2.gz HGBVSXJZSDWGIS-MJSXRHKHSA-N 2 0 335.879 2.362 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCc2ccccc2)C1)C1CCC1 ZINC001275243606 1205289551 /nfs/dbraw/zinc/28/95/51/1205289551.db2.gz WEOSYWXBKMZQFD-UHFFFAOYSA-N 2 0 329.488 2.198 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001276173122 1205813810 /nfs/dbraw/zinc/81/38/10/1205813810.db2.gz BLWNEUXWQZFZON-GOSISDBHSA-N 2 0 328.460 2.200 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001276195534 1205828570 /nfs/dbraw/zinc/82/85/70/1205828570.db2.gz LQNKAMNRYPDODV-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001490826220 1205884654 /nfs/dbraw/zinc/88/46/54/1205884654.db2.gz CUPYMYJYOCZYQW-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924808216 1206034653 /nfs/dbraw/zinc/03/46/53/1206034653.db2.gz QDMGSRLLDSFFKA-OALUTQOASA-N 2 0 344.503 2.128 10 0 EEAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000924920005 1206050855 /nfs/dbraw/zinc/05/08/55/1206050855.db2.gz KSXXTLVZEYXHJR-AYHJJNSGSA-N 2 0 347.528 2.494 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1COCc2cccc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000924952271 1206055030 /nfs/dbraw/zinc/05/50/30/1206055030.db2.gz WTCVIXAIUDFYTB-WMLDXEAASA-N 2 0 337.895 2.384 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)CC[N@@H+]1C ZINC000925340022 1206099381 /nfs/dbraw/zinc/09/93/81/1206099381.db2.gz AWRMUDRYINQMBX-QRQLOZEOSA-N 2 0 344.503 2.037 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518063 1206122089 /nfs/dbraw/zinc/12/20/89/1206122089.db2.gz NRKVCLGLQOWTIS-FYQPLNBISA-N 2 0 343.515 2.426 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000925525539 1206123197 /nfs/dbraw/zinc/12/31/97/1206123197.db2.gz HUTDESLOUSRSFE-ZFWWWQNUSA-N 2 0 325.478 2.054 10 0 EEAERP COc1ccc([C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000925778932 1206153632 /nfs/dbraw/zinc/15/36/32/1206153632.db2.gz VHZJDZFJVPKBAP-UAGQMJEPSA-N 2 0 339.430 2.323 10 0 EEAERP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808657 1206156079 /nfs/dbraw/zinc/15/60/79/1206156079.db2.gz CHGAXERBXLAREU-HNNXBMFYSA-N 2 0 347.507 2.290 10 0 EEAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925817750 1206157466 /nfs/dbraw/zinc/15/74/66/1206157466.db2.gz WJWUCBFEKZNIKN-UHFFFAOYSA-N 3 0 344.547 2.442 10 0 EEAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844436 1206159525 /nfs/dbraw/zinc/15/95/25/1206159525.db2.gz KSGNEFHOBNLXEN-TZIWHRDSSA-N 2 0 344.547 2.487 10 0 EEAERP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854341 1206161418 /nfs/dbraw/zinc/16/14/18/1206161418.db2.gz MTEHLUJSPYXQQM-WMLDXEAASA-N 2 0 334.435 2.422 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3cccnc32)CC[NH2+]CC1 ZINC000925872119 1206163251 /nfs/dbraw/zinc/16/32/51/1206163251.db2.gz PQWYQYFYGUSVJN-HOCLYGCPSA-N 2 0 331.460 2.370 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000926124637 1206195349 /nfs/dbraw/zinc/19/53/49/1206195349.db2.gz IANRARWDUDAACW-GJJHYRHESA-N 2 0 332.488 2.404 10 0 EEAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000926167402 1206200584 /nfs/dbraw/zinc/20/05/84/1206200584.db2.gz NORIQIUAEIQFFU-JKSUJKDBSA-N 2 0 334.489 2.155 10 0 EEAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000926167396 1206200712 /nfs/dbraw/zinc/20/07/12/1206200712.db2.gz NORIQIUAEIQFFU-CVEARBPZSA-N 2 0 334.489 2.155 10 0 EEAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848982 1206508840 /nfs/dbraw/zinc/50/88/40/1206508840.db2.gz VKYANMGHEZWZGT-YSTOQKLRSA-N 2 0 332.488 2.277 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000778642607 1208312713 /nfs/dbraw/zinc/31/27/13/1208312713.db2.gz YZXCOBIFIRDODN-ZWKOTPCHSA-N 2 0 340.508 2.397 10 0 EEAERP C[C@@H](CCCO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000864094550 1210473138 /nfs/dbraw/zinc/47/31/38/1210473138.db2.gz XMNRABKIQNFSEK-NSHDSACASA-N 2 0 330.375 2.320 10 0 EEAERP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001413048125 1217397338 /nfs/dbraw/zinc/39/73/38/1217397338.db2.gz SWVOQAGMIHZHIY-ZCNNSNEGSA-N 2 0 338.536 2.485 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900300012 1234178840 /nfs/dbraw/zinc/17/88/40/1234178840.db2.gz NSYCOKGPEIPWKI-OTWHNJEPSA-N 2 0 329.488 2.292 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)o1 ZINC000900417561 1234335848 /nfs/dbraw/zinc/33/58/48/1234335848.db2.gz INTINNVRIXSTRB-FUHWJXTLSA-N 2 0 333.476 2.495 10 0 EEAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902739030 1238362070 /nfs/dbraw/zinc/36/20/70/1238362070.db2.gz HBWMXKAXFCDKDP-WMZOPIPTSA-N 2 0 331.504 2.242 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000902740635 1238365687 /nfs/dbraw/zinc/36/56/87/1238365687.db2.gz YLMMWFVONVXAOY-SXLOBPIMSA-N 2 0 345.531 2.488 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902948521 1239163216 /nfs/dbraw/zinc/16/32/16/1239163216.db2.gz SYAIMIHHFBBRRV-HQZQWKOLSA-N 2 0 342.483 2.156 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903078531 1239680372 /nfs/dbraw/zinc/68/03/72/1239680372.db2.gz IJTWDXLARLGVKW-UXHICEINSA-N 2 0 330.472 2.436 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903093772 1239716648 /nfs/dbraw/zinc/71/66/48/1239716648.db2.gz UPZMENZWYRYINL-WOJBJXKFSA-N 2 0 346.471 2.199 10 0 EEAERP COc1ccc([C@@H](NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C(C)C)cc1 ZINC000903495895 1240668913 /nfs/dbraw/zinc/66/89/13/1240668913.db2.gz BIJVKBKAUSFEMT-MDYRTPRTSA-N 2 0 347.503 2.425 10 0 EEAERP C[C@@H]1C[N@H+](Cc2nc(COc3ccc(F)cc3)no2)C[C@H]1CC[NH3+] ZINC000903496429 1240672643 /nfs/dbraw/zinc/67/26/43/1240672643.db2.gz NGJRORIRSGZWJK-CHWSQXEVSA-N 2 0 334.395 2.204 10 0 EEAERP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506493 1240716614 /nfs/dbraw/zinc/71/66/14/1240716614.db2.gz VZDAXNNJHXAECG-OTWHNJEPSA-N 2 0 333.520 2.236 10 0 EEAERP Fc1ccc(OCCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903510815 1240740418 /nfs/dbraw/zinc/74/04/18/1240740418.db2.gz LCEZGMZCOHUCDO-KDURUIRLSA-N 2 0 347.478 2.495 10 0 EEAERP C[C@]1([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)COC(=O)N1 ZINC000903562029 1240948501 /nfs/dbraw/zinc/94/85/01/1240948501.db2.gz VIAZXRXEOKGAMX-QFBILLFUSA-N 2 0 329.444 2.043 10 0 EEAERP 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QQEGLMOCTVDOBQ-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001491281830 1258889836 /nfs/dbraw/zinc/88/98/36/1258889836.db2.gz LQESOUGRCACHNT-RTBURBONSA-N 2 0 344.503 2.379 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001491454454 1259097563 /nfs/dbraw/zinc/09/75/63/1259097563.db2.gz JLOGBPJNKPLEPN-YJBOKZPZSA-N 2 0 333.476 2.162 10 0 EEAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001491523784 1259183396 /nfs/dbraw/zinc/18/33/96/1259183396.db2.gz SVAAORLUVVWJID-MBVDDHJVSA-N 2 0 327.432 2.332 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCOC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001273476623 1278576230 /nfs/dbraw/zinc/57/62/30/1278576230.db2.gz SWNAUVOERHUTHF-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@@H](C)OC)CC1 ZINC001267909474 1276902774 /nfs/dbraw/zinc/90/27/74/1276902774.db2.gz QDSZBFVKDQLWTG-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP 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CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC001691747412 1323106558 /nfs/dbraw/zinc/10/65/58/1323106558.db2.gz GZASBVXJZZFJQA-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265391127 1323120936 /nfs/dbraw/zinc/12/09/36/1323120936.db2.gz UIWVGVSQAXGTAF-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001265446486 1323160451 /nfs/dbraw/zinc/16/04/51/1323160451.db2.gz IXYOAAJPLHZXKW-QUCCMNQESA-N 2 0 343.515 2.460 10 0 EEAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265495834 1323182626 /nfs/dbraw/zinc/18/26/26/1323182626.db2.gz IUOGLALRXZGGPU-MKXGPGLRSA-N 2 0 329.488 2.369 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001265565585 1323222395 /nfs/dbraw/zinc/22/23/95/1323222395.db2.gz WADMVMSYQZNYMN-UPJWGTAASA-N 2 0 336.307 2.149 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001265540425 1323211856 /nfs/dbraw/zinc/21/18/56/1323211856.db2.gz QCLFPRWIRFQICM-KSZLIROESA-N 2 0 347.528 2.259 10 0 EEAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001266113447 1323682353 /nfs/dbraw/zinc/68/23/53/1323682353.db2.gz NSJSNQHMGKATIY-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CO[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119302 1323688505 /nfs/dbraw/zinc/68/85/05/1323688505.db2.gz BONQTXLVBCFDAC-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279298137 1323868094 /nfs/dbraw/zinc/86/80/94/1323868094.db2.gz XFRXSNNBXBOMMU-FUHWJXTLSA-N 2 0 335.467 2.447 10 0 EEAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001281529892 1325231910 /nfs/dbraw/zinc/23/19/10/1325231910.db2.gz DCMZGWXZLIDYDN-JTGQJZMRSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281956559 1325534887 /nfs/dbraw/zinc/53/48/87/1325534887.db2.gz HFNAQDBOEGBYLR-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP COCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001283997912 1326355629 /nfs/dbraw/zinc/35/56/29/1326355629.db2.gz DYRNSMFOFSXANQ-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001284127670 1326422118 /nfs/dbraw/zinc/42/21/18/1326422118.db2.gz DEWBTXWXVHOPBG-MAUKXSAKSA-N 2 0 344.459 2.262 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001491685749 1330205529 /nfs/dbraw/zinc/20/55/29/1330205529.db2.gz YXFXZLXQSJPQIW-CRAIPNDOSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001491685741 1330205759 /nfs/dbraw/zinc/20/57/59/1330205759.db2.gz YTZZYAHKRQWXPQ-RDTXWAMCSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491839366 1330270202 /nfs/dbraw/zinc/27/02/02/1330270202.db2.gz NSFJIOWWAVPMGM-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001491808057 1330277644 /nfs/dbraw/zinc/27/76/44/1330277644.db2.gz HBNQRRQDPTUTOM-GDBMZVCRSA-N 2 0 341.496 2.366 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491965213 1330360185 /nfs/dbraw/zinc/36/01/85/1330360185.db2.gz HSKHPEPDZNBTFU-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1conc1C)[NH+](C)C ZINC001492176323 1331055123 /nfs/dbraw/zinc/05/51/23/1331055123.db2.gz WQEKTEXSCZWVQF-SJORKVTESA-N 2 0 336.480 2.184 10 0 EEAERP CN(CCOCC[N@H+](C)CC1CCC1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001316764076 1331879767 /nfs/dbraw/zinc/87/97/67/1331879767.db2.gz YWIRIARZIZNSOL-UHFFFAOYSA-N 2 0 344.459 2.383 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCCCCF ZINC001316790283 1331895487 /nfs/dbraw/zinc/89/54/87/1331895487.db2.gz ALPDYBWKPVCDMS-YVSFHVDLSA-N 2 0 327.488 2.436 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001316946760 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VEKSLMGQUPDJQR-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318423148 1332529724 /nfs/dbraw/zinc/52/97/24/1332529724.db2.gz CITVFXPZQKDWLP-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOc1ccc(C)cc1 ZINC001318524380 1332555417 /nfs/dbraw/zinc/55/54/17/1332555417.db2.gz MISNLTJEIQCEJD-ZHALLVOQSA-N 2 0 347.503 2.198 10 0 EEAERP CCC[NH2+]C[C@@]1(NC(=O)c2ccn(CC[NH+](C)C)n2)CCCC[C@H]1C ZINC001318745517 1332587880 /nfs/dbraw/zinc/58/78/80/1332587880.db2.gz OAHSTCLHIYDNKA-APWZRJJASA-N 2 0 349.523 2.123 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cc(C)no2)C1)[NH+](C)C ZINC001318835905 1332607684 /nfs/dbraw/zinc/60/76/84/1332607684.db2.gz JNSPRGSGRQNRCO-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)co1 ZINC001318895662 1332619642 /nfs/dbraw/zinc/61/96/42/1332619642.db2.gz PELQIPOIAAMGMT-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001318909375 1332622010 /nfs/dbraw/zinc/62/20/10/1332622010.db2.gz XRUUEYJXUYJXAO-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2C)CC1)[NH+](C)C ZINC001318928472 1332625234 /nfs/dbraw/zinc/62/52/34/1332625234.db2.gz HRIRTKHWYBWYSJ-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001318960006 1332629416 /nfs/dbraw/zinc/62/94/16/1332629416.db2.gz XUVOAFRQGGRQKE-WKILWMFISA-N 2 0 344.459 2.310 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001319007284 1332636458 /nfs/dbraw/zinc/63/64/58/1332636458.db2.gz ZMALZHKJHCHOPM-YJBOKZPZSA-N 2 0 335.467 2.482 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001319699856 1332745959 /nfs/dbraw/zinc/74/59/59/1332745959.db2.gz YKZYYWILNDNSFW-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001319735502 1332753711 /nfs/dbraw/zinc/75/37/11/1332753711.db2.gz GDUMWEMWGCJPEB-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccon1 ZINC001319759512 1332760738 /nfs/dbraw/zinc/76/07/38/1332760738.db2.gz ZPBZZQJZUOBQAO-QZTJIDSGSA-N 2 0 348.491 2.410 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc2cccnc21)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320370991 1332869617 /nfs/dbraw/zinc/86/96/17/1332869617.db2.gz JBXOOZMXLHGQFP-CRAIPNDOSA-N 2 0 340.471 2.313 10 0 EEAERP C[C@@H](CC[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320414950 1332878233 /nfs/dbraw/zinc/87/82/33/1332878233.db2.gz NJRJMBIFPOLALF-FXAWDEMLSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001320474975 1332892664 /nfs/dbraw/zinc/89/26/64/1332892664.db2.gz WJOMYKSDGADHBW-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001320531373 1332904565 /nfs/dbraw/zinc/90/45/65/1332904565.db2.gz WRGPTFOQZHWWFE-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2conc2C)C1 ZINC001320531063 1332904619 /nfs/dbraw/zinc/90/46/19/1332904619.db2.gz XMADWAHCUUPWMK-GDBMZVCRSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001320561411 1332910533 /nfs/dbraw/zinc/91/05/33/1332910533.db2.gz GDLPDTSXPAENQQ-CABCVRRESA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cn1)[NH+]1CCCCC1 ZINC001321062181 1333008469 /nfs/dbraw/zinc/00/84/69/1333008469.db2.gz AGGAAYPKYKXQSN-PLNGDYQASA-N 2 0 348.466 2.247 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc(F)c1 ZINC001321064753 1333009667 /nfs/dbraw/zinc/00/96/67/1333009667.db2.gz OPVVCLLWOCHTFF-LAPPRRJPSA-N 2 0 345.462 2.491 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001321189691 1333040878 /nfs/dbraw/zinc/04/08/78/1333040878.db2.gz PJKGJRLNNCTITO-IAFRVXFPSA-N 2 0 331.435 2.169 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211904 1333046182 /nfs/dbraw/zinc/04/61/82/1333046182.db2.gz UFXYXGNTFJZULU-FOSCPCJNSA-N 2 0 333.451 2.491 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC[C@H]1CCCC1(F)F)C12CC[NH+](CC1)C2 ZINC001321338830 1333078780 /nfs/dbraw/zinc/07/87/80/1333078780.db2.gz UOSQCWXKLITARU-BGTMTDRBSA-N 2 0 341.446 2.170 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001322592525 1333290000 /nfs/dbraw/zinc/29/00/00/1333290000.db2.gz PUPSPSZLGNVJHW-UHFFFAOYSA-N 2 0 329.435 2.098 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001322793030 1333327652 /nfs/dbraw/zinc/32/76/52/1333327652.db2.gz PWEHGXQJWCYPTQ-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP O=C(NCC1([NH2+]CCCCC(F)(F)F)CC1)C12CC[NH+](CC1)C2 ZINC001323590795 1333494348 /nfs/dbraw/zinc/49/43/48/1333494348.db2.gz AVIYBURGDYAPKT-UHFFFAOYSA-N 2 0 333.398 2.053 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001324081699 1333604218 /nfs/dbraw/zinc/60/42/18/1333604218.db2.gz PFLYWPKXLVOIAO-ZIAGYGMSSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001327881659 1334358935 /nfs/dbraw/zinc/35/89/35/1334358935.db2.gz ODJUPNVXXOTCIO-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP CC/C=C/CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001328491266 1334467404 /nfs/dbraw/zinc/46/74/04/1334467404.db2.gz ASXOGMZZVQQBGM-ONEGZZNKSA-N 2 0 349.519 2.132 10 0 EEAERP CCOCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001328509824 1334470794 /nfs/dbraw/zinc/47/07/94/1334470794.db2.gz OHTJPMGESQWNPN-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCCF)C1 ZINC001328694111 1334501084 /nfs/dbraw/zinc/50/10/84/1334501084.db2.gz RAWCRCXALUYKGN-LSBZLQRGSA-N 2 0 333.451 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329173952 1334600438 /nfs/dbraw/zinc/60/04/38/1334600438.db2.gz SZIAQYNKXSKGRO-STQMWFEESA-N 2 0 326.872 2.060 10 0 EEAERP COCC[NH2+]C1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001329255751 1334615492 /nfs/dbraw/zinc/61/54/92/1334615492.db2.gz MGLLKBVPHJCPLY-AOCRQIFASA-N 2 0 339.524 2.257 10 0 EEAERP CCCC[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001329902302 1334735647 /nfs/dbraw/zinc/73/56/47/1334735647.db2.gz ULNPMLUAORIXJQ-DBFKFLLRSA-N 2 0 327.900 2.489 10 0 EEAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330444916 1334845385 /nfs/dbraw/zinc/84/53/85/1334845385.db2.gz IYBRWEXPXDTYJJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330883456 1334920669 /nfs/dbraw/zinc/92/06/69/1334920669.db2.gz OYKZZLAOGIOJKP-GOEBONIOSA-N 2 0 344.459 2.297 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001331455216 1335016372 /nfs/dbraw/zinc/01/63/72/1335016372.db2.gz FYYUKGURGWGWKT-MSOLQXFVSA-N 2 0 346.450 2.180 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)cc1 ZINC001331942645 1335682947 /nfs/dbraw/zinc/68/29/47/1335682947.db2.gz DFXGUOUOYAGYDV-PKOBYXMFSA-N 2 0 347.503 2.293 10 0 EEAERP Cc1ncc(C[N@@H+]2CC[C@]3(NC(=O)CCCC[NH+](C)C)CCC[C@@H]23)o1 ZINC001332119599 1335734413 /nfs/dbraw/zinc/73/44/13/1335734413.db2.gz SROXWTBHQKUJGW-IEBWSBKVSA-N 2 0 348.491 2.328 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001332455603 1335827713 /nfs/dbraw/zinc/82/77/13/1335827713.db2.gz ZLNQAXRTONQSOU-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)cc1 ZINC001434381044 1341834657 /nfs/dbraw/zinc/83/46/57/1341834657.db2.gz NHACVADPEQTUFV-SFHVURJKSA-N 2 0 347.503 2.477 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCc3cccs3)C2)C1 ZINC001436362658 1342052877 /nfs/dbraw/zinc/05/28/77/1342052877.db2.gz BJFKDSJFASYVIR-HRCADAONSA-N 2 0 335.517 2.117 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001436381149 1342062248 /nfs/dbraw/zinc/06/22/48/1342062248.db2.gz HQKKITCVESOQFU-RBSFLKMASA-N 2 0 345.422 2.113 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001505716556 1342238481 /nfs/dbraw/zinc/23/84/81/1342238481.db2.gz IOCJSIAIVAHQFA-IAGOWNOFSA-N 2 0 349.523 2.179 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001505716785 1342238639 /nfs/dbraw/zinc/23/86/39/1342238639.db2.gz LMSDDJLSDQCXRE-UONOGXRCSA-N 2 0 331.451 2.246 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567259803 1342724329 /nfs/dbraw/zinc/72/43/29/1342724329.db2.gz IZKSIAOBWPFOFY-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP CCc1nocc1C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001567638844 1342799777 /nfs/dbraw/zinc/79/97/77/1342799777.db2.gz WVDRJNBIJDFCDP-KRWDZBQOSA-N 2 0 336.480 2.048 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]CCCC2CCOCC2)CC1 ZINC001570379479 1343062746 /nfs/dbraw/zinc/06/27/46/1343062746.db2.gz QABRPFUPTLELEL-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cnn(C)c1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001571257940 1343171286 /nfs/dbraw/zinc/17/12/86/1343171286.db2.gz UUSAPAMTMISWMN-MRXNPFEDSA-N 2 0 349.523 2.059 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001571388232 1343202378 /nfs/dbraw/zinc/20/23/78/1343202378.db2.gz MITFTGFAUDLVFQ-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001571544446 1343233747 /nfs/dbraw/zinc/23/37/47/1343233747.db2.gz NYFJZULMWSZBKG-QYNSDQQJSA-N 2 0 327.900 2.345 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001571625174 1343254733 /nfs/dbraw/zinc/25/47/33/1343254733.db2.gz XXNGJMWEMQZHMH-MRXNPFEDSA-N 2 0 341.540 2.408 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001571636649 1343257117 /nfs/dbraw/zinc/25/71/17/1343257117.db2.gz GENBXZOCOXZMGS-GOSISDBHSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001676317924 1357134164 /nfs/dbraw/zinc/13/41/64/1357134164.db2.gz DJERZNCYEMRHMM-YJBOKZPZSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCOc1ccccc1 ZINC001676369508 1357142254 /nfs/dbraw/zinc/14/22/54/1357142254.db2.gz RDWMRRQSADADGG-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001676999113 1357258790 /nfs/dbraw/zinc/25/87/90/1357258790.db2.gz RLJWZXUEMYJUNN-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC[C@H]2CCCO2)C(C)(C)C)CC1 ZINC001677280974 1357306715 /nfs/dbraw/zinc/30/67/15/1357306715.db2.gz BWGHHDLOUOAWBY-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001630690882 1352571682 /nfs/dbraw/zinc/57/16/82/1352571682.db2.gz SZEYJOYMXXKLCH-OAHLLOKOSA-N 2 0 326.444 2.451 10 0 EEAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC[NH+](C)Cc3ccccc3)C[N@@H+]2C1 ZINC001646935684 1353057414 /nfs/dbraw/zinc/05/74/14/1353057414.db2.gz OGOLTXWJEXHPAN-BHIYHBOVSA-N 2 0 329.488 2.355 10 0 EEAERP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCO2)ccn1 ZINC001647253055 1353208104 /nfs/dbraw/zinc/20/81/04/1353208104.db2.gz TVQLLOSGTWMYBV-NNIGNNQHSA-N 2 0 331.460 2.048 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCCCF ZINC001656752468 1354271284 /nfs/dbraw/zinc/27/12/84/1354271284.db2.gz HDCUQEIXZZWAAO-IXDOHACOSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncc(C[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC001660715318 1354523862 /nfs/dbraw/zinc/52/38/62/1354523862.db2.gz IFYHBUOEDBZCQS-HOCLYGCPSA-N 2 0 348.491 2.184 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001661798588 1354699170 /nfs/dbraw/zinc/69/91/70/1354699170.db2.gz PZHSUSDPSLQWHR-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685611 1354825665 /nfs/dbraw/zinc/82/56/65/1354825665.db2.gz MNBQUOFZLQJSIK-WMZOPIPTSA-N 2 0 349.544 2.461 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001662716769 1354830601 /nfs/dbraw/zinc/83/06/01/1354830601.db2.gz BZBDTTLWHAVDCS-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(CC[NH2+]CCF)cc1 ZINC001662818749 1354853842 /nfs/dbraw/zinc/85/38/42/1354853842.db2.gz PAGLSULWJSIWDB-GOSISDBHSA-N 2 0 335.467 2.279 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c(C)s1 ZINC001663937425 1355057162 /nfs/dbraw/zinc/05/71/62/1355057162.db2.gz NNCXUSKVQIBCQL-KRWDZBQOSA-N 2 0 335.517 2.255 10 0 EEAERP C[C@H](C(=O)N(C)CC[NH2+]CCC[C@@H]1CCOC1)[NH+]1CCCCCC1 ZINC001664227371 1355116758 /nfs/dbraw/zinc/11/67/58/1355116758.db2.gz PKDNOGUYBVVWQQ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001664227396 1355116873 /nfs/dbraw/zinc/11/68/73/1355116873.db2.gz QAVYJGDQJPESOC-QGZVFWFLSA-N 2 0 332.492 2.203 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1F ZINC001664394480 1355154443 /nfs/dbraw/zinc/15/44/43/1355154443.db2.gz DBPIHURHKGFWMM-UHFFFAOYSA-N 2 0 329.847 2.367 10 0 EEAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001665421462 1355305979 /nfs/dbraw/zinc/30/59/79/1355305979.db2.gz YWMGWHKPGNQDKO-ZBKUBXTQSA-N 2 0 349.519 2.129 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001665597210 1355330738 /nfs/dbraw/zinc/33/07/38/1355330738.db2.gz STTRGXWDGXLVGA-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001666092915 1355447984 /nfs/dbraw/zinc/44/79/84/1355447984.db2.gz KMOMHKPZAIXYHR-PKOBYXMFSA-N 2 0 344.503 2.203 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)OC ZINC001666115262 1355455827 /nfs/dbraw/zinc/45/58/27/1355455827.db2.gz LHMQVWAGEJFLEH-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666903842 1355613055 /nfs/dbraw/zinc/61/30/55/1355613055.db2.gz YRXZHDUPBCWUMF-YOEHRIQHSA-N 2 0 335.517 2.069 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001667101265 1355648654 /nfs/dbraw/zinc/64/86/54/1355648654.db2.gz NKJXVESFCPSGKY-CQSZACIVSA-N 2 0 337.430 2.401 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cscn1 ZINC001667210099 1355674309 /nfs/dbraw/zinc/67/43/09/1355674309.db2.gz DSJKQINXLAWSBX-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001667285795 1355698882 /nfs/dbraw/zinc/69/88/82/1355698882.db2.gz VDFYSMGAGPZFNV-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001667413014 1355737812 /nfs/dbraw/zinc/73/78/12/1355737812.db2.gz IIZMELZITIHLEZ-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001668234980 1355905444 /nfs/dbraw/zinc/90/54/44/1355905444.db2.gz UVQXMFQEVOEHRX-JKSUJKDBSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001668325911 1355923914 /nfs/dbraw/zinc/92/39/14/1355923914.db2.gz MYBNNUFMUURZEO-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834332 1356017074 /nfs/dbraw/zinc/01/70/74/1356017074.db2.gz VRTLTYFWPSLQDS-GWOVIKRFSA-N 2 0 333.451 2.236 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001668865212 1356028040 /nfs/dbraw/zinc/02/80/40/1356028040.db2.gz SIBMTTJPAREWCW-AATRIKPKSA-N 2 0 345.487 2.250 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC=C(Cl)Cl ZINC001669201116 1356123091 /nfs/dbraw/zinc/12/30/91/1356123091.db2.gz MFIHDTYUVHRUQP-FGTRRKKMSA-N 2 0 334.291 2.440 10 0 EEAERP COCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001669882854 1356232404 /nfs/dbraw/zinc/23/24/04/1356232404.db2.gz RDOHMHXTYPDHTL-CRAIPNDOSA-N 2 0 345.503 2.062 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001670313275 1356317255 /nfs/dbraw/zinc/31/72/55/1356317255.db2.gz VRPDBPGFMACOQX-SFHVURJKSA-N 2 0 335.467 2.436 10 0 EEAERP COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672235602 1356486202 /nfs/dbraw/zinc/48/62/02/1356486202.db2.gz WDFQTWSBDSCUIQ-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP CCCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001672365475 1356509973 /nfs/dbraw/zinc/50/99/73/1356509973.db2.gz ZTZOOQSCAYSXRY-KZNAEPCWSA-N 2 0 339.524 2.019 10 0 EEAERP CCOCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001672938956 1356619556 /nfs/dbraw/zinc/61/95/56/1356619556.db2.gz ZOKVPLDMMTXSDY-QAPCUYQASA-N 2 0 333.476 2.084 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001672983048 1356627134 /nfs/dbraw/zinc/62/71/34/1356627134.db2.gz RWDYGBHCKSPGFM-IYARVYRRSA-N 2 0 339.524 2.019 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001674001432 1356769123 /nfs/dbraw/zinc/76/91/23/1356769123.db2.gz CFYYAILVVYGPQH-UHFFFAOYSA-N 2 0 347.503 2.369 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001675972951 1357079462 /nfs/dbraw/zinc/07/94/62/1357079462.db2.gz CJPACFBMLNCOIV-WBVHZDCISA-N 2 0 332.492 2.106 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC001698700789 1405018354 /nfs/dbraw/zinc/01/83/54/1405018354.db2.gz AWIHKQPYWMCQES-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698861296 1405116552 /nfs/dbraw/zinc/11/65/52/1405116552.db2.gz OQODLFCITZKFLX-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1[NH2+]CCCF ZINC001698901462 1405141326 /nfs/dbraw/zinc/14/13/26/1405141326.db2.gz WXWWCSVPOCSTJC-CVEARBPZSA-N 2 0 325.472 2.049 10 0 EEAERP COCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698954414 1405186610 /nfs/dbraw/zinc/18/66/10/1405186610.db2.gz UEFYXINAWSSWCQ-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP COCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012418 1405226621 /nfs/dbraw/zinc/22/66/21/1405226621.db2.gz DOTIHHLOIMWLAG-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699101422 1405254861 /nfs/dbraw/zinc/25/48/61/1405254861.db2.gz WNKNBKHFCYDGPM-CRAIPNDOSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699102479 1405255285 /nfs/dbraw/zinc/25/52/85/1405255285.db2.gz MGRRXGJQQSCCRY-WMLDXEAASA-N 2 0 333.451 2.152 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001699826497 1405512510 /nfs/dbraw/zinc/51/25/10/1405512510.db2.gz MLXRPSVAVREIGI-IEBWSBKVSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@@H+]1CC[C@H](c2nnc3n2CC[NH+](CCc2ccccc2)CC3)C1 ZINC000257193362 790590051 /nfs/dbraw/zinc/59/00/51/790590051.db2.gz YDWXWHQMJRQKMF-SFHVURJKSA-N 2 0 339.487 2.188 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@@H]1[NH+]1CCCC1 ZINC000907349346 784576016 /nfs/dbraw/zinc/57/60/16/784576016.db2.gz FFMKIQXDCPCXNI-LUKYLMHMSA-N 2 0 337.533 2.042 10 0 EEAERP C[C@@H]1CN(CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@H](C)CO1 ZINC000912391964 788156258 /nfs/dbraw/zinc/15/62/58/788156258.db2.gz OSTPMKLSVYUCKV-HUUCEWRRSA-N 2 0 344.459 2.130 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CC2(CC2(F)F)C1 ZINC000825160244 788492694 /nfs/dbraw/zinc/49/26/94/788492694.db2.gz PSMCQHDJXVTRTL-CKDBGZEDSA-N 2 0 343.462 2.296 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711277956 788585472 /nfs/dbraw/zinc/58/54/72/788585472.db2.gz CZTJYKXEBXBQRY-AEFFLSMTSA-N 2 0 329.488 2.355 10 0 EEAERP C[N@@H+]1CCN(CCC[NH2+]Cc2cc[nH]c(=O)c2)[C@H](c2ccccc2)C1 ZINC000921525473 788845823 /nfs/dbraw/zinc/84/58/23/788845823.db2.gz SHQDNMMBWGAKHO-IBGZPJMESA-N 2 0 340.471 2.256 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844315596 789020152 /nfs/dbraw/zinc/02/01/52/789020152.db2.gz ABOVPFPSCFFXGH-ATZDWAIDSA-N 2 0 343.471 2.470 10 0 EEAERP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425645 789527401 /nfs/dbraw/zinc/52/74/01/789527401.db2.gz KHNOOZNCQQGSLO-HIFRSBDPSA-N 2 0 332.444 2.001 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000923449015 789562103 /nfs/dbraw/zinc/56/21/03/789562103.db2.gz JMTMSHTZYILSEM-SFHVURJKSA-N 2 0 344.434 2.341 10 0 EEAERP Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923458485 789576465 /nfs/dbraw/zinc/57/64/65/789576465.db2.gz PDWYBHACVNNTQA-MRXNPFEDSA-N 2 0 331.460 2.072 10 0 EEAERP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450346 789580622 /nfs/dbraw/zinc/58/06/22/789580622.db2.gz GRWZALQZVUUGNY-DOTOQJQBSA-N 2 0 345.487 2.406 10 0 EEAERP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452386 789585059 /nfs/dbraw/zinc/58/50/59/789585059.db2.gz UMMAMGQYMTVUQS-OAHLLOKOSA-N 2 0 341.455 2.489 10 0 EEAERP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cc(=O)oc2c1 ZINC000923495214 789652998 /nfs/dbraw/zinc/65/29/98/789652998.db2.gz ABOISXCDYRNYBB-GXTWGEPZSA-N 2 0 343.427 2.168 10 0 EEAERP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498811 789680879 /nfs/dbraw/zinc/68/08/79/789680879.db2.gz LSMRPKYRWXRERX-UGUYLWEFSA-N 2 0 333.476 2.178 10 0 EEAERP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000923501847 789687550 /nfs/dbraw/zinc/68/75/50/789687550.db2.gz WCJCVRGMILZSJV-ZTNFWEORSA-N 2 0 329.488 2.479 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923503440 789700597 /nfs/dbraw/zinc/70/05/97/789700597.db2.gz IFGBMIRVVAKFPG-RYUDHWBXSA-N 2 0 327.375 2.143 10 0 EEAERP C[C@@H](NC(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000923513240 789715455 /nfs/dbraw/zinc/71/54/55/789715455.db2.gz JYAPJZFKXACOBJ-SPYBWZPUSA-N 2 0 329.488 2.269 10 0 EEAERP CC(C)[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713377546 794596515 /nfs/dbraw/zinc/59/65/15/794596515.db2.gz NMWNUFQQGQHAKG-HDAAZOAOSA-N 2 0 341.499 2.483 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000914074669 794831329 /nfs/dbraw/zinc/83/13/29/794831329.db2.gz KCVCFKNHZAIMCW-GOSISDBHSA-N 2 0 347.507 2.106 10 0 EEAERP O[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000716654115 796404899 /nfs/dbraw/zinc/40/48/99/796404899.db2.gz FEMNIAWCXIIWKK-ZSYWTGECSA-N 2 0 332.513 2.497 10 0 EEAERP CSc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000804398949 810851547 /nfs/dbraw/zinc/85/15/47/810851547.db2.gz XHHQKQLOTHGNML-UHFFFAOYSA-N 2 0 344.488 2.218 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001565938419 1125465500 /nfs/dbraw/zinc/46/55/00/1125465500.db2.gz IKZLWNPUQADCIC-FUHWJXTLSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444814174 1099739547 /nfs/dbraw/zinc/73/95/47/1099739547.db2.gz KZNVHKFOWTUCFG-QWHCGFSZSA-N 2 0 336.307 2.474 10 0 EEAERP CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001436431805 1087801625 /nfs/dbraw/zinc/80/16/25/1087801625.db2.gz KOXOIQFJIIWYOV-QZTJIDSGSA-N 2 0 335.467 2.462 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H]1CCOC1 ZINC001436494689 1088000147 /nfs/dbraw/zinc/00/01/47/1088000147.db2.gz VERJFKWTJLGPPI-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001436495846 1088008340 /nfs/dbraw/zinc/00/83/40/1088008340.db2.gz SXCICBAFLFZQFK-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001436502708 1088033322 /nfs/dbraw/zinc/03/33/22/1088033322.db2.gz YOLSIKYDNREFSS-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001436790925 1088352008 /nfs/dbraw/zinc/35/20/08/1088352008.db2.gz RMNFDEJYSJRYNC-WOJBJXKFSA-N 2 0 341.499 2.321 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)C1 ZINC001436832004 1088446924 /nfs/dbraw/zinc/44/69/24/1088446924.db2.gz YOOJZGDXXKEHLH-PKOBYXMFSA-N 2 0 347.478 2.482 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436835992 1088460955 /nfs/dbraw/zinc/46/09/55/1088460955.db2.gz WJDWQTXIJCPXPO-CVEARBPZSA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]Cc1ccncc1Cl)C1CC1 ZINC001436837515 1088466341 /nfs/dbraw/zinc/46/63/41/1088466341.db2.gz ZMXVQJCJMRLUFN-MRXNPFEDSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)ccc2c[nH+]cn21 ZINC001437167307 1089184255 /nfs/dbraw/zinc/18/42/55/1089184255.db2.gz MMJZFNNBWCPOQK-CJNGLKHVSA-N 2 0 344.459 2.166 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001437217359 1089297764 /nfs/dbraw/zinc/29/77/64/1089297764.db2.gz UQDBHCRWESVIBI-AEFFLSMTSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001437399757 1089664402 /nfs/dbraw/zinc/66/44/02/1089664402.db2.gz SYSWIWFHHSCJON-HFTRVMKXSA-N 2 0 346.519 2.413 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001437429178 1089727227 /nfs/dbraw/zinc/72/72/27/1089727227.db2.gz SUDLGHIDRZGLHK-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCOC1CCC1 ZINC001437624905 1090136525 /nfs/dbraw/zinc/13/65/25/1090136525.db2.gz GOKNFFDECUHYRK-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@H+](C/C=C\Cl)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001438001130 1090600464 /nfs/dbraw/zinc/60/04/64/1090600464.db2.gz WQWCOPUFLYEHNH-UQCOIBPSSA-N 2 0 325.884 2.005 10 0 EEAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)C[NH+]2CCCC2)C2CC2)c(C)n1 ZINC001438429221 1090927922 /nfs/dbraw/zinc/92/79/22/1090927922.db2.gz QKHJCIGHBATBKO-FQEVSTJZSA-N 2 0 344.503 2.169 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001438511132 1091003581 /nfs/dbraw/zinc/00/35/81/1091003581.db2.gz ZDDXMHHCVJPIQE-BBRMVZONSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001438552522 1091045137 /nfs/dbraw/zinc/04/51/37/1091045137.db2.gz NTCWJVDSPJJWOE-CQSZACIVSA-N 2 0 333.467 2.494 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001438738669 1091288704 /nfs/dbraw/zinc/28/87/04/1091288704.db2.gz YAAMEDZVSAVSEW-GJZGRUSLSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001438771364 1091355130 /nfs/dbraw/zinc/35/51/30/1091355130.db2.gz ORXPZLRGNIRUFB-FZKSUDTASA-N 2 0 336.307 2.472 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001438771245 1091355438 /nfs/dbraw/zinc/35/54/38/1091355438.db2.gz OONJWYVATDEQKY-CHWSQXEVSA-N 2 0 336.307 2.472 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)n1 ZINC001445609718 1091404257 /nfs/dbraw/zinc/40/42/57/1091404257.db2.gz GKHMKLRYAOBZNA-HNNXBMFYSA-N 2 0 332.492 2.141 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001438804917 1091413316 /nfs/dbraw/zinc/41/33/16/1091413316.db2.gz DYPUGQGAVAAIBZ-HUUCEWRRSA-N 2 0 338.521 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)cc1 ZINC001439114563 1091760459 /nfs/dbraw/zinc/76/04/59/1091760459.db2.gz LHLXLPYBTAMLGK-QAPCUYQASA-N 2 0 333.476 2.164 10 0 EEAERP C[C@H](C[NH2+]Cc1ccncc1Cl)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439145681 1091788588 /nfs/dbraw/zinc/78/85/88/1091788588.db2.gz AHZOVUMDAMSJHG-RDBSUJKOSA-N 2 0 338.883 2.060 10 0 EEAERP CCc1ccccc1CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001439313632 1091985193 /nfs/dbraw/zinc/98/51/93/1091985193.db2.gz PLQZXHAXTJOFAF-LPHOPBHVSA-N 2 0 331.504 2.322 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439322552 1091998601 /nfs/dbraw/zinc/99/86/01/1091998601.db2.gz CVZHRLIQAWMEOI-HDMKZQKVSA-N 2 0 335.467 2.433 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325581 1092001709 /nfs/dbraw/zinc/00/17/09/1092001709.db2.gz KMVIWYSMWPNZPN-HNAYVOBHSA-N 2 0 347.478 2.412 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnc(C)s2)CC1 ZINC001446187020 1092262309 /nfs/dbraw/zinc/26/23/09/1092262309.db2.gz WVDMMHUANBDWIJ-OAHLLOKOSA-N 2 0 336.505 2.064 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001439501964 1092336822 /nfs/dbraw/zinc/33/68/22/1092336822.db2.gz XINYPCSSBLKFKP-QGZVFWFLSA-N 2 0 335.879 2.420 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001446246335 1092364852 /nfs/dbraw/zinc/36/48/52/1092364852.db2.gz AECOAQZSIQQUJP-KBXCAEBGSA-N 2 0 345.462 2.393 10 0 EEAERP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001439693765 1092644369 /nfs/dbraw/zinc/64/43/69/1092644369.db2.gz QYWFHQXNFJYYPY-IBGZPJMESA-N 2 0 333.520 2.441 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001439854655 1092876565 /nfs/dbraw/zinc/87/65/65/1092876565.db2.gz RTYPDXUYSPQXDF-GOEBONIOSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC(F)(F)F)C2 ZINC001440116149 1093177697 /nfs/dbraw/zinc/17/76/97/1093177697.db2.gz XKMAPGUADSRTHG-IHRRRGAJSA-N 2 0 335.414 2.250 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185802 1093244612 /nfs/dbraw/zinc/24/46/12/1093244612.db2.gz FHMFRFHYHLZXQE-RBUKOAKNSA-N 2 0 344.503 2.297 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193163 1093259172 /nfs/dbraw/zinc/25/91/72/1093259172.db2.gz ZDGFEPWSBWUFGS-PXNSSMCTSA-N 2 0 347.503 2.033 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC001440197764 1093266945 /nfs/dbraw/zinc/26/69/45/1093266945.db2.gz YBDGHMKSOFRKKX-CABCVRRESA-N 2 0 329.435 2.049 10 0 EEAERP Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)n1 ZINC001440220695 1093298630 /nfs/dbraw/zinc/29/86/30/1093298630.db2.gz PJCMRPNHFKQHCA-SHTZXODSSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001440364102 1093529773 /nfs/dbraw/zinc/52/97/73/1093529773.db2.gz WUMQLYIIBBVWOF-WRANKLGHSA-N 2 0 327.900 2.344 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001440399399 1093581821 /nfs/dbraw/zinc/58/18/21/1093581821.db2.gz YDGWGKVYOZTYQF-IAGOWNOFSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001440403514 1093592040 /nfs/dbraw/zinc/59/20/40/1093592040.db2.gz VFIBCKZYRLQNDE-OCWRDWSWSA-N 2 0 327.900 2.344 10 0 EEAERP CCCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001440477455 1093708500 /nfs/dbraw/zinc/70/85/00/1093708500.db2.gz XRHYDKRWLSWJSE-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCOC)CC(C)(C)C1)[NH+](CC)CC ZINC001440527965 1093782490 /nfs/dbraw/zinc/78/24/90/1093782490.db2.gz BSFXIPFKZGMDPF-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440541600 1093810618 /nfs/dbraw/zinc/81/06/18/1093810618.db2.gz ZTRGZAMCDLAFCG-DLBZAZTESA-N 2 0 349.519 2.011 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001440626606 1093896931 /nfs/dbraw/zinc/89/69/31/1093896931.db2.gz LTDBDLAEQVZFJK-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440792759 1094034923 /nfs/dbraw/zinc/03/49/23/1094034923.db2.gz AKBUUEKXJHRDOQ-HUUCEWRRSA-N 2 0 348.466 2.080 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001441143191 1094479904 /nfs/dbraw/zinc/47/99/04/1094479904.db2.gz DDIJQAGMYHRREJ-PBHICJAKSA-N 2 0 327.488 2.293 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001441296743 1094736604 /nfs/dbraw/zinc/73/66/04/1094736604.db2.gz QPFHLXLYVSBEII-KGLIPLIRSA-N 2 0 348.318 2.428 10 0 EEAERP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cs1 ZINC001441303678 1094753238 /nfs/dbraw/zinc/75/32/38/1094753238.db2.gz PXTPHOAILUXFAU-OSYLJGHBSA-N 2 0 347.528 2.192 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(F)cc3)C2)CC1 ZINC001441364729 1094887738 /nfs/dbraw/zinc/88/77/38/1094887738.db2.gz BHKVZOGMDOHQBD-JCNLHEQBSA-N 2 0 333.451 2.152 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncc(C)c2)C1)[NH+](CC)CC ZINC001441502092 1095185412 /nfs/dbraw/zinc/18/54/12/1095185412.db2.gz ADXRPTZBKLYTHC-KSZLIROESA-N 2 0 332.492 2.247 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001441528514 1095236178 /nfs/dbraw/zinc/23/61/78/1095236178.db2.gz NKZSFNHPBVKOKD-KFWWJZLASA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001441597328 1095439749 /nfs/dbraw/zinc/43/97/49/1095439749.db2.gz UCNLIOXNBDREQN-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nocc3C)[C@@H]2C1 ZINC001441876358 1095996825 /nfs/dbraw/zinc/99/68/25/1095996825.db2.gz PVCDSPMBHITCCF-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP CC[NH2+][C@H](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC001441929135 1096117680 /nfs/dbraw/zinc/11/76/80/1096117680.db2.gz WLRPOASXSIMTIO-LJQANCHMSA-N 2 0 331.504 2.445 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001442007720 1096210763 /nfs/dbraw/zinc/21/07/63/1096210763.db2.gz JRSNZZVEOWETPJ-LSDHHAIUSA-N 2 0 329.444 2.369 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(C(F)F)c1 ZINC001442014001 1096220609 /nfs/dbraw/zinc/22/06/09/1096220609.db2.gz UIGRAQDNSRBVCA-CYBMUJFWSA-N 2 0 337.414 2.314 10 0 EEAERP CC1CC(C[N@H+](CCNC(=O)C23CCC[NH+](CCC2)C3)C2CC2)C1 ZINC001443022045 1097430412 /nfs/dbraw/zinc/43/04/12/1097430412.db2.gz YNLYXNJCDHNCPY-UHFFFAOYSA-N 2 0 333.520 2.489 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001443879212 1098404789 /nfs/dbraw/zinc/40/47/89/1098404789.db2.gz MQJHGBAECUDXEM-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001443990658 1098505047 /nfs/dbraw/zinc/50/50/47/1098505047.db2.gz VGOYDGDSLAYJAJ-MAUKXSAKSA-N 2 0 327.488 2.483 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccccc1F ZINC001444006048 1098521376 /nfs/dbraw/zinc/52/13/76/1098521376.db2.gz GLXLXQAKGCEJAO-HIFRSBDPSA-N 2 0 332.423 2.412 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001479494020 1098563207 /nfs/dbraw/zinc/56/32/07/1098563207.db2.gz FNHWPVYJIJTOAP-HRCADAONSA-N 2 0 336.480 2.259 10 0 EEAERP COCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001479502118 1098569714 /nfs/dbraw/zinc/56/97/14/1098569714.db2.gz MTPRQWPPNPYFSS-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3conc3C)CCCC2)CC[N@@H+]1C ZINC001444064522 1098586578 /nfs/dbraw/zinc/58/65/78/1098586578.db2.gz VSFMAJXFBQBMJN-DLBZAZTESA-N 2 0 348.491 2.232 10 0 EEAERP COC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001479739882 1098857185 /nfs/dbraw/zinc/85/71/85/1098857185.db2.gz PJKZXLDEUNLNQF-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1c(F)cccc1F ZINC001444322927 1098883848 /nfs/dbraw/zinc/88/38/48/1098883848.db2.gz KKEBSTMNCJZOSR-DYVFJYSZSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444578955 1099398604 /nfs/dbraw/zinc/39/86/04/1099398604.db2.gz FDERAHWDQJCCPA-QAPCUYQASA-N 2 0 340.471 2.266 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001479979973 1099433431 /nfs/dbraw/zinc/43/34/31/1099433431.db2.gz BTEKQSCOKHKICD-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001479979974 1099433439 /nfs/dbraw/zinc/43/34/39/1099433439.db2.gz BTEKQSCOKHKICD-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)CC[NH+](C)C ZINC001444660411 1099497275 /nfs/dbraw/zinc/49/72/75/1099497275.db2.gz AOAPVZPQQQNTEJ-OAHLLOKOSA-N 2 0 328.460 2.123 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cc(C2CC2)no1)C1CC1 ZINC001480027097 1099512918 /nfs/dbraw/zinc/51/29/18/1099512918.db2.gz DGACIFJLDNKHFG-ZWKOTPCHSA-N 2 0 346.475 2.021 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444704099 1099560812 /nfs/dbraw/zinc/56/08/12/1099560812.db2.gz FIDRTAUALXUPEN-QAPCUYQASA-N 2 0 335.467 2.434 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001480060666 1099586207 /nfs/dbraw/zinc/58/62/07/1099586207.db2.gz ULTRWJUMFWSDLB-AZUAARDMSA-N 2 0 343.515 2.364 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C\c3ccccc3)C2)C1 ZINC001480170859 1099748483 /nfs/dbraw/zinc/74/84/83/1099748483.db2.gz GSRNLJLNQZBPKF-CPDFDUGJSA-N 2 0 327.472 2.278 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C/c3ccccc3)C2)C1 ZINC001480170869 1099749180 /nfs/dbraw/zinc/74/91/80/1099749180.db2.gz GSRNLJLNQZBPKF-SZERCSLISA-N 2 0 327.472 2.278 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(CC[N@H+](C)CCF)CC1 ZINC001444834980 1099789862 /nfs/dbraw/zinc/78/98/62/1099789862.db2.gz IZNFLBOBVDJLNY-HZPDHXFCSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480233294 1099859376 /nfs/dbraw/zinc/85/93/76/1099859376.db2.gz WSTYDMCUSNCINA-ZACQAIPSSA-N 2 0 325.472 2.093 10 0 EEAERP Cc1csc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)n1 ZINC001444943586 1100057632 /nfs/dbraw/zinc/05/76/32/1100057632.db2.gz UOECYJJZTUVMDQ-AWEZNQCLSA-N 2 0 326.510 2.022 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1C[C@H]1CC(C)(C)CO1 ZINC001480330613 1100086354 /nfs/dbraw/zinc/08/63/54/1100086354.db2.gz HYTLYLXCZVEDEA-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](O)CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001480361072 1100133713 /nfs/dbraw/zinc/13/37/13/1100133713.db2.gz HTRVMRSMWWWWTP-DLBZAZTESA-N 2 0 341.540 2.096 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001480493760 1100307239 /nfs/dbraw/zinc/30/72/39/1100307239.db2.gz ZQETXCMGDVRQTR-KBXCAEBGSA-N 2 0 348.491 2.267 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1nc2ccccc2o1 ZINC001445120918 1100368274 /nfs/dbraw/zinc/36/82/74/1100368274.db2.gz SZIUJDKCGGSYCL-GJZGRUSLSA-N 2 0 344.459 2.154 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001446435001 1100854629 /nfs/dbraw/zinc/85/46/29/1100854629.db2.gz NYDFMJDMPNEBOK-ROUUACIJSA-N 2 0 335.467 2.447 10 0 EEAERP Cc1ccncc1C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495201924 1100882069 /nfs/dbraw/zinc/88/20/69/1100882069.db2.gz BAWJVVCCCFEIMZ-KRWDZBQOSA-N 2 0 344.503 2.250 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC001496369035 1100962487 /nfs/dbraw/zinc/96/24/87/1100962487.db2.gz PPHDCZOSZRCUQD-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@](C)(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001446547841 1101014828 /nfs/dbraw/zinc/01/48/28/1101014828.db2.gz IZGNIHIKEHCRHL-QUCCMNQESA-N 2 0 329.488 2.417 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCOCC1)NC(=O)CC[NH+](C)C ZINC001495321108 1101026531 /nfs/dbraw/zinc/02/65/31/1101026531.db2.gz NTSMOMVAYHZHPP-VQIMIIECSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001446603228 1101100466 /nfs/dbraw/zinc/10/04/66/1101100466.db2.gz HCEGWLUMVQXNLZ-LJQANCHMSA-N 2 0 348.491 2.222 10 0 EEAERP Cc1oncc1C[NH2+]CCC1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001495414527 1101133552 /nfs/dbraw/zinc/13/35/52/1101133552.db2.gz BIIMJEFVWRXZPL-UHFFFAOYSA-N 2 0 345.447 2.057 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC001495457070 1101168624 /nfs/dbraw/zinc/16/86/24/1101168624.db2.gz BGPKUOOLNBHJLB-BQFCYCMXSA-N 2 0 348.491 2.374 10 0 EEAERP COCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001446675296 1101214406 /nfs/dbraw/zinc/21/44/06/1101214406.db2.gz YZHVRZZRUYGKIJ-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](C/C=C/Cl)C2)CC[N@@H+]1C ZINC001446686336 1101243408 /nfs/dbraw/zinc/24/34/08/1101243408.db2.gz ROPFBTQVVCATJN-RIMOFGSCSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001446723219 1101292753 /nfs/dbraw/zinc/29/27/53/1101292753.db2.gz GRHGZBMSXRQOPR-HOTGVXAUSA-N 2 0 345.478 2.448 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001495669471 1101411362 /nfs/dbraw/zinc/41/13/62/1101411362.db2.gz QWQYMLNVGHXJSH-JCGIZDLHSA-N 2 0 335.467 2.398 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)CC[C@H]32)cc1 ZINC001496863808 1101632716 /nfs/dbraw/zinc/63/27/16/1101632716.db2.gz QLCVEILPOXIQBR-RTBURBONSA-N 2 0 329.488 2.370 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCF ZINC001447032792 1101789064 /nfs/dbraw/zinc/78/90/64/1101789064.db2.gz BJQZDILEOIAQTM-DLBZAZTESA-N 2 0 325.472 2.287 10 0 EEAERP CO[C@@H](C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001497261763 1102214165 /nfs/dbraw/zinc/21/41/65/1102214165.db2.gz FWWUWLXSGDTGDH-QAPCUYQASA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CCC2)c(C)n1 ZINC001447248479 1102290796 /nfs/dbraw/zinc/29/07/96/1102290796.db2.gz BYUCFHUYLHCPHC-UHFFFAOYSA-N 2 0 332.492 2.167 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)o1 ZINC001497329566 1102332702 /nfs/dbraw/zinc/33/27/02/1102332702.db2.gz CLQLTZNUONTXGG-HOCLYGCPSA-N 2 0 336.480 2.096 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)cn1 ZINC001447293564 1102380179 /nfs/dbraw/zinc/38/01/79/1102380179.db2.gz CENWZXVREFPGKF-DLBZAZTESA-N 2 0 347.507 2.159 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001447313544 1102431483 /nfs/dbraw/zinc/43/14/83/1102431483.db2.gz XWSFSPFAASBYAN-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001497596574 1102723018 /nfs/dbraw/zinc/72/30/18/1102723018.db2.gz KRKZIWXVELGXDO-PLNGDYQASA-N 2 0 333.451 2.380 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001497671381 1102870819 /nfs/dbraw/zinc/87/08/19/1102870819.db2.gz JWLKRWWIMAAVEH-OGZRUICASA-N 2 0 338.883 2.083 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cnccc1C ZINC001497761889 1103050532 /nfs/dbraw/zinc/05/05/32/1103050532.db2.gz CNATUCSAUXDTIF-DUMMIQTOSA-N 2 0 330.476 2.026 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001494017609 1103350414 /nfs/dbraw/zinc/35/04/14/1103350414.db2.gz HULJDZOAULGDLU-FMQFUMSTSA-N 2 0 327.900 2.442 10 0 EEAERP O=C(NCC[C@H]1CC[N@H+](CCCC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001494073712 1103475956 /nfs/dbraw/zinc/47/59/56/1103475956.db2.gz LORQQHZCSQQLSM-SFHVURJKSA-N 2 0 333.520 2.491 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cncs1 ZINC001447905539 1103564014 /nfs/dbraw/zinc/56/40/14/1103564014.db2.gz JXNVBYWUYHLUAV-STQMWFEESA-N 2 0 326.510 2.104 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCc1ccccc1 ZINC001447917331 1103591695 /nfs/dbraw/zinc/59/16/95/1103591695.db2.gz WZYZXYZVRDPVOM-ROUUACIJSA-N 2 0 331.504 2.444 10 0 EEAERP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494144197 1103595198 /nfs/dbraw/zinc/59/51/98/1103595198.db2.gz DDEPKBNFHWMUTL-SFHVURJKSA-N 2 0 333.520 2.443 10 0 EEAERP C[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494179512 1103653546 /nfs/dbraw/zinc/65/35/46/1103653546.db2.gz FLKUGAPOKFAYRX-IECUYZFFSA-N 2 0 341.499 2.432 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001448132083 1104074171 /nfs/dbraw/zinc/07/41/71/1104074171.db2.gz JCOBYIWBDOFWLT-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494762044 1104345751 /nfs/dbraw/zinc/34/57/51/1104345751.db2.gz WPGNCZRIEMGLRK-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001494874556 1104484223 /nfs/dbraw/zinc/48/42/23/1104484223.db2.gz GXKDRTVGZPFZKG-SFHVURJKSA-N 2 0 347.503 2.377 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001495057498 1104695068 /nfs/dbraw/zinc/69/50/68/1104695068.db2.gz HIZAZDQXJYPIMX-NVXWUHKLSA-N 2 0 335.467 2.194 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccns1 ZINC001495069251 1104709069 /nfs/dbraw/zinc/70/90/69/1104709069.db2.gz SVNPRVXQCZJDFJ-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498044390 1106827808 /nfs/dbraw/zinc/82/78/08/1106827808.db2.gz VMMONRUVZZHJNE-DLBZAZTESA-N 2 0 339.524 2.304 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001480706248 1106924625 /nfs/dbraw/zinc/92/46/25/1106924625.db2.gz AXAFPJDHSLXISB-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480802735 1107144438 /nfs/dbraw/zinc/14/44/38/1107144438.db2.gz ANZHQXIWUVTMCN-MRXNPFEDSA-N 2 0 345.487 2.084 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001498286662 1107217335 /nfs/dbraw/zinc/21/73/35/1107217335.db2.gz BNSCRNKNEZXTKY-ZYSHUDEJSA-N 2 0 347.503 2.362 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H]1CCCC(F)(F)C1 ZINC001493058891 1107415566 /nfs/dbraw/zinc/41/55/66/1107415566.db2.gz SLZMPYIQIALGNC-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1cncs1)[NH+]1CCCC1 ZINC001498457718 1107567432 /nfs/dbraw/zinc/56/74/32/1107567432.db2.gz SQLHWWKAZYIVCK-GDBMZVCRSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001498490598 1107626445 /nfs/dbraw/zinc/62/64/45/1107626445.db2.gz OLYBFSMSTWIWPI-RDJZCZTQSA-N 2 0 336.480 2.008 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2cnccc2C)C1 ZINC001498599784 1107786853 /nfs/dbraw/zinc/78/68/53/1107786853.db2.gz CRGVRRBPBUEXHJ-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001493257913 1107792960 /nfs/dbraw/zinc/79/29/60/1107792960.db2.gz BCAUQSFINBRWBF-ZDUSSCGKSA-N 2 0 341.908 2.435 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001498800366 1108128520 /nfs/dbraw/zinc/12/85/20/1108128520.db2.gz WTASJIGTAKSQOM-GOSISDBHSA-N 2 0 344.503 2.249 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCc2ccccc2)C2CC2)CC1 ZINC001498815869 1108156329 /nfs/dbraw/zinc/15/63/29/1108156329.db2.gz DOFIPYDWOQSGMT-FQEVSTJZSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1ccc2sc(C[NH2+]CCN(C)C(=O)[C@@H]3CCC[N@@H+]3C)nc2c1 ZINC001493500519 1108239290 /nfs/dbraw/zinc/23/92/90/1108239290.db2.gz PFCMAJDVGPKBQA-HNNXBMFYSA-N 2 0 346.500 2.247 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001498872368 1108256002 /nfs/dbraw/zinc/25/60/02/1108256002.db2.gz GHITZAFOVXTCRV-SFHVURJKSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)s1 ZINC001493547521 1108295153 /nfs/dbraw/zinc/29/51/53/1108295153.db2.gz URCQQUIWACDUNH-OAHLLOKOSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC001493769860 1108643774 /nfs/dbraw/zinc/64/37/74/1108643774.db2.gz UCRSUQCZHOUNQY-UHFFFAOYSA-N 2 0 328.460 2.125 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cncn1C ZINC001493859313 1108749236 /nfs/dbraw/zinc/74/92/36/1108749236.db2.gz QZVGCDHZDYTBED-GOSISDBHSA-N 2 0 349.523 2.010 10 0 EEAERP CC(C)[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC001479015141 1110659764 /nfs/dbraw/zinc/65/97/64/1110659764.db2.gz KHHBDCKFFXDQJL-RTBURBONSA-N 2 0 344.503 2.243 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCOC2CCC2)CC1 ZINC001499371683 1112256938 /nfs/dbraw/zinc/25/69/38/1112256938.db2.gz NLRDUCZALDOCKR-KRWDZBQOSA-N 2 0 337.508 2.057 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CCCCCF)CC1 ZINC001499931593 1112546272 /nfs/dbraw/zinc/54/62/72/1112546272.db2.gz NKHLCDCCCDYXNP-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1)[NH+]1CCCC1 ZINC001500132076 1112631818 /nfs/dbraw/zinc/63/18/18/1112631818.db2.gz ZVFPPWHCFQUUAU-DLBZAZTESA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001501071076 1113187969 /nfs/dbraw/zinc/18/79/69/1113187969.db2.gz KLIICKPUWLXTGB-IRXDYDNUSA-N 2 0 341.540 2.216 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1cncs1 ZINC001501403437 1113346295 /nfs/dbraw/zinc/34/62/95/1113346295.db2.gz ITEHRCYOXIYGFA-JKSUJKDBSA-N 2 0 336.505 2.050 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001501640683 1113411327 /nfs/dbraw/zinc/41/13/27/1113411327.db2.gz HRQSFRQWHIVOQK-HOCLYGCPSA-N 2 0 338.521 2.058 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001501650268 1113415431 /nfs/dbraw/zinc/41/54/31/1113415431.db2.gz FQUHMLUTTMQHEB-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1nocc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001502017822 1113560775 /nfs/dbraw/zinc/56/07/75/1113560775.db2.gz XJJVHHANGHCBTQ-DOTOQJQBSA-N 2 0 348.491 2.232 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@H](OC)C2CCC2)CC1 ZINC001502803865 1113805355 /nfs/dbraw/zinc/80/53/55/1113805355.db2.gz FDWMVFHUOUZBHT-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001502811160 1113808643 /nfs/dbraw/zinc/80/86/43/1113808643.db2.gz NUFQNDXUNTWYON-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CC3CC(F)(F)C3)C2)CCC1 ZINC001505502037 1114026157 /nfs/dbraw/zinc/02/61/57/1114026157.db2.gz UVVMTLNTZZIQPE-UHFFFAOYSA-N 2 0 329.435 2.000 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001505506860 1114027782 /nfs/dbraw/zinc/02/77/82/1114027782.db2.gz OGNWTSKVCVZQGC-WLYUNCDWSA-N 2 0 345.422 2.113 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001505759923 1114174182 /nfs/dbraw/zinc/17/41/82/1114174182.db2.gz DDHARXSFCNCQJD-OLZOCXBDSA-N 2 0 327.419 2.288 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001505944685 1114293257 /nfs/dbraw/zinc/29/32/57/1114293257.db2.gz XHEBUDNRHNESRU-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001506830436 1114899664 /nfs/dbraw/zinc/89/96/64/1114899664.db2.gz AEGUDNJZZUMVPQ-ROEZOGTPSA-N 2 0 337.508 2.033 10 0 EEAERP COc1ccc(C[N@@H+]2CCCC3(CN(C(=O)CC[NH+](C)C)C3)C2)cc1 ZINC001506864251 1114932243 /nfs/dbraw/zinc/93/22/43/1114932243.db2.gz CIASZQMEAQVMPL-UHFFFAOYSA-N 2 0 345.487 2.071 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001506887243 1114951596 /nfs/dbraw/zinc/95/15/96/1114951596.db2.gz HHEAJOBYNXQJJH-KPGIPAPCSA-N 2 0 325.884 2.240 10 0 EEAERP CC(C)[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001506975642 1115025326 /nfs/dbraw/zinc/02/53/26/1115025326.db2.gz YWLGVUBZWCPWBM-GOSISDBHSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]C/C=C/Cl ZINC001506989002 1115035248 /nfs/dbraw/zinc/03/52/48/1115035248.db2.gz ZXUIDOKRDZFTCK-FUVBFXSKSA-N 2 0 327.900 2.488 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC001507082440 1115098829 /nfs/dbraw/zinc/09/88/29/1115098829.db2.gz IREJEQCFPSXEEJ-WMZOPIPTSA-N 2 0 349.523 2.275 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccccc21 ZINC001507118197 1115117727 /nfs/dbraw/zinc/11/77/27/1115117727.db2.gz MFCYWIAZTJMIIK-BEFAXECRSA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cncs2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507341937 1115205120 /nfs/dbraw/zinc/20/51/20/1115205120.db2.gz SZOHGIFTPCUBPE-CABCVRRESA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001507369638 1115228965 /nfs/dbraw/zinc/22/89/65/1115228965.db2.gz VDEURECXTMPJLP-QDAKYZJLSA-N 2 0 327.900 2.296 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001507409824 1115255731 /nfs/dbraw/zinc/25/57/31/1115255731.db2.gz LANHKXAPJZALEW-IAGOWNOFSA-N 2 0 333.476 2.021 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507412474 1115257060 /nfs/dbraw/zinc/25/70/60/1115257060.db2.gz WHSMITCNTJSTJQ-IAGOWNOFSA-N 2 0 333.476 2.021 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001567846245 1124137610 /nfs/dbraw/zinc/13/76/10/1124137610.db2.gz OHCTWNYZRUNVTI-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001568392552 1124462868 /nfs/dbraw/zinc/46/28/68/1124462868.db2.gz RDSMMIZAUBJTFP-SJORKVTESA-N 2 0 348.491 2.328 10 0 EEAERP COCCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001568394188 1124464485 /nfs/dbraw/zinc/46/44/85/1124464485.db2.gz AXQPGXYGIKJYOZ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568400481 1124470325 /nfs/dbraw/zinc/47/03/25/1124470325.db2.gz LGANSEKZJIZWFV-ZWKOTPCHSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568678726 1124690625 /nfs/dbraw/zinc/69/06/25/1124690625.db2.gz XLCSXLGOARWAHT-CYBMUJFWSA-N 2 0 333.467 2.494 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001568698848 1124713245 /nfs/dbraw/zinc/71/32/45/1124713245.db2.gz JBKLAWYCXKFXDJ-LSDHHAIUSA-N 2 0 336.480 2.124 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001568713114 1124730081 /nfs/dbraw/zinc/73/00/81/1124730081.db2.gz BPNQWRUHWAOOOW-AWEZNQCLSA-N 2 0 338.521 2.312 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C[N@H+](C)C(C)C ZINC001568800659 1124815682 /nfs/dbraw/zinc/81/56/82/1124815682.db2.gz NWKUCXUNEZMQPB-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP CCc1ccc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001568826635 1124844400 /nfs/dbraw/zinc/84/44/00/1124844400.db2.gz FNFURSVUYCNGAQ-PXPVJAHISA-N 2 0 329.488 2.148 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001568919830 1124947322 /nfs/dbraw/zinc/94/73/22/1124947322.db2.gz JQNBEMDDNPAGAL-KYVUIXNKSA-N 2 0 341.499 2.279 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964608 1125000832 /nfs/dbraw/zinc/00/08/32/1125000832.db2.gz VLFCYGPHMCYTEK-MXKYZYEVSA-N 2 0 337.414 2.240 10 0 EEAERP C[C@@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117566 1125108598 /nfs/dbraw/zinc/10/85/98/1125108598.db2.gz BZUIPJNWDYASCW-YQVWRLOYSA-N 2 0 347.503 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001569208390 1125165729 /nfs/dbraw/zinc/16/57/29/1125165729.db2.gz FGTYRHADVHOIPD-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247051 1125192413 /nfs/dbraw/zinc/19/24/13/1125192413.db2.gz AEFZGCDFWPJHSU-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(Cn1ccnc1)NC[C@H]1C[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001565857386 1125437075 /nfs/dbraw/zinc/43/70/75/1125437075.db2.gz FGHQBOUQFZKVHY-BFTLDODOSA-N 2 0 338.455 2.471 10 0 EEAERP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000104138309 219350861 /nfs/dbraw/zinc/35/08/61/219350861.db2.gz RLENNUWKOYAFDW-YWPYICTPSA-N 2 0 326.282 2.473 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000069349945 215383538 /nfs/dbraw/zinc/38/35/38/215383538.db2.gz MHCGRCPWOWQROV-AWEZNQCLSA-N 2 0 346.500 2.388 10 0 EEAERP O=C(C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000420327298 239748994 /nfs/dbraw/zinc/74/89/94/239748994.db2.gz YEOOBOMNTOMHPQ-MRXNPFEDSA-N 2 0 327.472 2.287 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1OC ZINC000422937856 240298312 /nfs/dbraw/zinc/29/83/12/240298312.db2.gz CXLDSIVPALMVHH-ZDUSSCGKSA-N 2 0 331.254 2.301 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428762311 241645758 /nfs/dbraw/zinc/64/57/58/241645758.db2.gz YLOGQRLYEUHUPN-HOTGVXAUSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000079733848 217252022 /nfs/dbraw/zinc/25/20/22/217252022.db2.gz WOHARVNLEFVULH-PKOBYXMFSA-N 2 0 346.519 2.333 10 0 EEAERP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095087958 218278704 /nfs/dbraw/zinc/27/87/04/218278704.db2.gz LRUQBKTUXDPGBH-GOSISDBHSA-N 2 0 329.488 2.484 10 0 EEAERP CCCCNC(=O)CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195262124 256008468 /nfs/dbraw/zinc/00/84/68/256008468.db2.gz FYLYAUKEARPNKP-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000248513245 160348666 /nfs/dbraw/zinc/34/86/66/160348666.db2.gz DCGHSCKMBJWLSE-RBUKOAKNSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000262796198 152318663 /nfs/dbraw/zinc/31/86/63/152318663.db2.gz NMPGBHNVHAXKPN-KYJSFNMBSA-N 2 0 333.451 2.152 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000248820787 160362827 /nfs/dbraw/zinc/36/28/27/160362827.db2.gz WWANTRDVUQDUFZ-OXJNMPFZSA-N 2 0 341.499 2.498 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248900583 160367318 /nfs/dbraw/zinc/36/73/18/160367318.db2.gz ACCZTOZDAFUZRZ-MOPGFXCFSA-N 2 0 346.519 2.489 10 0 EEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000261803596 160418592 /nfs/dbraw/zinc/41/85/92/160418592.db2.gz RDLXLVWHPONQEA-IEBWSBKVSA-N 2 0 345.487 2.152 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000129685535 292361707 /nfs/dbraw/zinc/36/17/07/292361707.db2.gz SGWUMFHKSJCQJX-FUHWJXTLSA-N 2 0 338.540 2.480 10 0 EEAERP COc1ccccc1OCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862641 159309470 /nfs/dbraw/zinc/30/94/70/159309470.db2.gz QYSCBJZGBNCNNK-INIZCTEOSA-N 2 0 336.476 2.099 10 0 EEAERP O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000120116604 159386501 /nfs/dbraw/zinc/38/65/01/159386501.db2.gz FBELUDVXCUVYDM-QGZVFWFLSA-N 2 0 327.472 2.219 10 0 EEAERP C[N@H+](CCN1CC[NH+](CC2CCOCC2)CC1)Cc1ccc(F)cc1 ZINC000187059002 160091265 /nfs/dbraw/zinc/09/12/65/160091265.db2.gz WZYRTYUOYQUADM-UHFFFAOYSA-N 2 0 349.494 2.302 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)Cc1ccccc1 ZINC000246025743 160261019 /nfs/dbraw/zinc/26/10/19/160261019.db2.gz VMFFZQJWWCVLPK-RBUKOAKNSA-N 2 0 344.503 2.244 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000247401897 160323553 /nfs/dbraw/zinc/32/35/53/160323553.db2.gz REEYNPVJCJSDHB-MAUKXSAKSA-N 2 0 332.492 2.276 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248404354 160343935 /nfs/dbraw/zinc/34/39/35/160343935.db2.gz QCAHVOCWZGYXOF-ZACQAIPSSA-N 2 0 336.524 2.423 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248404353 160344251 /nfs/dbraw/zinc/34/42/51/160344251.db2.gz QCAHVOCWZGYXOF-ULQDDVLXSA-N 2 0 336.524 2.423 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000339623128 160855481 /nfs/dbraw/zinc/85/54/81/160855481.db2.gz WVYWRNAFSSANFO-RTBURBONSA-N 2 0 346.519 2.458 10 0 EEAERP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000360875154 164394607 /nfs/dbraw/zinc/39/46/07/164394607.db2.gz WSWXHMWOAKSVLW-OWBSXZKWSA-N 2 0 344.499 2.417 10 0 EEAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[NH+](C)C ZINC000288275939 275041752 /nfs/dbraw/zinc/04/17/52/275041752.db2.gz HCHJCQLFYXMMHI-SJORKVTESA-N 2 0 345.487 2.326 10 0 EEAERP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CCCCC2)CCO1 ZINC000262667320 278327836 /nfs/dbraw/zinc/32/78/36/278327836.db2.gz KXHLSBWYUZFWET-HZPDHXFCSA-N 2 0 337.508 2.044 10 0 EEAERP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423102270 278334711 /nfs/dbraw/zinc/33/47/11/278334711.db2.gz DTGZCCVDUQGXRO-IUODEOHRSA-N 2 0 338.883 2.393 10 0 EEAERP CO[C@H](C)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828320 294268524 /nfs/dbraw/zinc/26/85/24/294268524.db2.gz BAWTUMKHOAGJNG-AEFFLSMTSA-N 2 0 335.492 2.151 10 0 EEAERP CC(C)[NH2+]CCC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000168591879 311392230 /nfs/dbraw/zinc/39/22/30/311392230.db2.gz QFNCAIAWZYKNTE-CQSZACIVSA-N 2 0 339.430 2.434 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000414745320 313075626 /nfs/dbraw/zinc/07/56/26/313075626.db2.gz XXLWVKCXVSOROK-HNNXBMFYSA-N 2 0 333.480 2.077 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416874805 313344493 /nfs/dbraw/zinc/34/44/93/313344493.db2.gz PYQVOKGAWHCYSI-RBUKOAKNSA-N 2 0 342.487 2.176 10 0 EEAERP C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416893173 313351444 /nfs/dbraw/zinc/35/14/44/313351444.db2.gz BQJKIFUEWBQFQX-INIZCTEOSA-N 2 0 332.492 2.327 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cccc(OC)c1 ZINC000416930715 313364566 /nfs/dbraw/zinc/36/45/66/313364566.db2.gz YVXSGEGVTDZECR-WBAXXEDZSA-N 2 0 348.491 2.209 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000417001637 313389553 /nfs/dbraw/zinc/38/95/53/313389553.db2.gz FBABTTSXOXYZMQ-NEWSRXKRSA-N 2 0 346.519 2.237 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417046056 313406562 /nfs/dbraw/zinc/40/65/62/313406562.db2.gz ZFDVCRLJHCBCLH-CEXWTWQISA-N 2 0 342.487 2.359 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417824885 313608168 /nfs/dbraw/zinc/60/81/68/313608168.db2.gz MJMXQOPGYLNAEK-LJQANCHMSA-N 2 0 334.508 2.179 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000417909019 313645831 /nfs/dbraw/zinc/64/58/31/313645831.db2.gz CCGJMUQCJQJUCD-SOTJZCEJSA-N 2 0 344.503 2.243 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530211034 317699988 /nfs/dbraw/zinc/69/99/88/317699988.db2.gz LVBRGHBCTRNHJL-IINYFYTJSA-N 2 0 327.354 2.499 10 0 EEAERP CC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000566121672 319248338 /nfs/dbraw/zinc/24/83/38/319248338.db2.gz MISWJZDLALMKDU-OALUTQOASA-N 2 0 332.488 2.276 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1CCC[NH2+]C1 ZINC000572856161 319884011 /nfs/dbraw/zinc/88/40/11/319884011.db2.gz AJGMXWZSIPXCSX-QGZVFWFLSA-N 2 0 344.503 2.471 10 0 EEAERP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000574351638 320017684 /nfs/dbraw/zinc/01/76/84/320017684.db2.gz VKARMYKGQLVMFD-OTWHNJEPSA-N 2 0 331.504 2.300 10 0 EEAERP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000576040886 320135661 /nfs/dbraw/zinc/13/56/61/320135661.db2.gz XOMPHCIGDLWINA-FQEVSTJZSA-N 2 0 346.471 2.431 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@H](O)Cc2ccccc2)(N2CCCCC2)CC1 ZINC000581007127 324167426 /nfs/dbraw/zinc/16/74/26/324167426.db2.gz GUNTWRRSOBAQGH-HXUWFJFHSA-N 2 0 345.531 2.130 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000358314200 465053944 /nfs/dbraw/zinc/05/39/44/465053944.db2.gz UZSODCVQFRQGMR-OAGGEKHMSA-N 2 0 346.475 2.000 10 0 EEAERP COc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000341205643 465054218 /nfs/dbraw/zinc/05/42/18/465054218.db2.gz GOBNOLPBDGDOIH-AWEZNQCLSA-N 2 0 331.460 2.089 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000358665524 465251227 /nfs/dbraw/zinc/25/12/27/465251227.db2.gz LYIILGLYEPKFNG-SFHVURJKSA-N 2 0 334.508 2.298 10 0 EEAERP CC(C)C[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000128492529 462644777 /nfs/dbraw/zinc/64/47/77/462644777.db2.gz XNDGIECOFXUNIX-XNHLSEOASA-N 2 0 336.524 2.373 10 0 EEAERP CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000552207957 468317831 /nfs/dbraw/zinc/31/78/31/468317831.db2.gz NBIUKHKBDRSECS-LJQANCHMSA-N 2 0 347.503 2.105 10 0 EEAERP Cc1cccc(-c2nnc([C@@H](C)[NH2+]CC3CC[NH+](CCO)CC3)o2)c1 ZINC000069773687 463322286 /nfs/dbraw/zinc/32/22/86/463322286.db2.gz OABBOPRCNDHBCB-OAHLLOKOSA-N 2 0 344.459 2.400 10 0 EEAERP CC[N@@H+]1CCCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000073490209 463616195 /nfs/dbraw/zinc/61/61/95/463616195.db2.gz WKGVJYIKWUNXKQ-UHFFFAOYSA-N 2 0 330.476 2.161 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000111836835 463683665 /nfs/dbraw/zinc/68/36/65/463683665.db2.gz QATPNIDRFZSAOH-AEFFLSMTSA-N 2 0 332.492 2.290 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)ccc1F ZINC000261895747 463891000 /nfs/dbraw/zinc/89/10/00/463891000.db2.gz HCDDWEZUYFERSA-UHOSZYNNSA-N 3 0 335.467 2.134 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237080017 464261623 /nfs/dbraw/zinc/26/16/23/464261623.db2.gz VEIWLERUJJYUHS-WFASDCNBSA-N 2 0 329.366 2.163 10 0 EEAERP CN1CC[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082182 465473043 /nfs/dbraw/zinc/47/30/43/465473043.db2.gz IGGQTJGNWLXJTI-KZNAEPCWSA-N 2 0 337.895 2.130 10 0 EEAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833053 464456205 /nfs/dbraw/zinc/45/62/05/464456205.db2.gz CXQJCLNLRCVSSQ-PKOBYXMFSA-N 2 0 342.487 2.163 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000175646048 464593155 /nfs/dbraw/zinc/59/31/55/464593155.db2.gz GGMNHUSVTUBNBH-SQNIBIBYSA-N 2 0 332.492 2.461 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719975 464609496 /nfs/dbraw/zinc/60/94/96/464609496.db2.gz KWFCBYPQNAOLQT-ZBFHGGJFSA-N 2 0 347.459 2.058 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000246763257 464619832 /nfs/dbraw/zinc/61/98/32/464619832.db2.gz NWKPJUQMRAZMGV-ZWKOTPCHSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+](C2CC2)C1 ZINC000295253972 464762037 /nfs/dbraw/zinc/76/20/37/464762037.db2.gz FKNCBCNWZWDOMN-MRXNPFEDSA-N 2 0 345.487 2.183 10 0 EEAERP Cn1cncc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177055517 464918967 /nfs/dbraw/zinc/91/89/67/464918967.db2.gz UWFCPKBYHYVADP-FQEVSTJZSA-N 2 0 342.487 2.298 10 0 EEAERP Cc1ccsc1[C@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000337357103 465326125 /nfs/dbraw/zinc/32/61/25/465326125.db2.gz CDXSZQXWZYLZES-INIZCTEOSA-N 2 0 325.522 2.096 10 0 EEAERP O=C(NCC[NH+]1CCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000337375617 465334039 /nfs/dbraw/zinc/33/40/39/465334039.db2.gz AFEZJCHAQSCUDO-UHFFFAOYSA-N 2 0 330.476 2.177 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@H+](CCO)CC2CCCCC2)CC1 ZINC000337413468 465354322 /nfs/dbraw/zinc/35/43/22/465354322.db2.gz MQKRLXPQNMHOKR-UHFFFAOYSA-N 2 0 325.541 2.277 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000366508795 465770516 /nfs/dbraw/zinc/77/05/16/465770516.db2.gz SSGMTFFSQJKAQY-CYBMUJFWSA-N 2 0 333.407 2.275 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1 ZINC000299564338 465803406 /nfs/dbraw/zinc/80/34/06/465803406.db2.gz ODNRTCSOTOGCQA-UHFFFAOYSA-N 2 0 339.443 2.415 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000346171085 465959974 /nfs/dbraw/zinc/95/99/74/465959974.db2.gz NVTDIDLGAMEPIQ-LPHOPBHVSA-N 2 0 325.460 2.492 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)C2 ZINC000362718250 465969258 /nfs/dbraw/zinc/96/92/58/465969258.db2.gz VOMARFNFFMXPPC-AJYUKVHDSA-N 2 0 334.508 2.127 10 0 EEAERP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367612802 466449365 /nfs/dbraw/zinc/44/93/65/466449365.db2.gz BBECGVUOGKRHNO-KURKYZTESA-N 2 0 336.501 2.443 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@@H]21 ZINC000415952072 466716798 /nfs/dbraw/zinc/71/67/98/466716798.db2.gz GXEHEWMPDVWUPA-YOEHRIQHSA-N 2 0 346.450 2.419 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478132 466755037 /nfs/dbraw/zinc/75/50/37/466755037.db2.gz TVNSMQINLMJLOC-CGTJXYLNSA-N 2 0 331.439 2.179 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417050755 466765642 /nfs/dbraw/zinc/76/56/42/466765642.db2.gz XRKYGTWDYZWTJS-XDNAFOTISA-N 2 0 336.524 2.138 10 0 EEAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1CNCCO1 ZINC000423577084 466776785 /nfs/dbraw/zinc/77/67/85/466776785.db2.gz RVFGBSQHUWFIPU-RNCFNFMXSA-N 2 0 329.213 2.154 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000417186552 466797373 /nfs/dbraw/zinc/79/73/73/466797373.db2.gz WUQNMXDOYOFMHT-ZWKOTPCHSA-N 2 0 344.434 2.428 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411421790 466824554 /nfs/dbraw/zinc/82/45/54/466824554.db2.gz WECIOGRGGVFJGO-WBVHZDCISA-N 2 0 339.549 2.195 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417593490 466890757 /nfs/dbraw/zinc/89/07/57/466890757.db2.gz ZDAUZARWTUHKDU-ZACQAIPSSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418564124 467129098 /nfs/dbraw/zinc/12/90/98/467129098.db2.gz WNNMWYYCQVUOET-LMMKCTJWSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418568263 467129817 /nfs/dbraw/zinc/12/98/17/467129817.db2.gz HCIMYKQTIJRBHJ-WMZOPIPTSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418598596 467133959 /nfs/dbraw/zinc/13/39/59/467133959.db2.gz QRKQEOFYSBTRDT-DFEOGRTESA-N 2 0 344.503 2.289 10 0 EEAERP CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418672316 467144474 /nfs/dbraw/zinc/14/44/74/467144474.db2.gz MLCVDNTWUSBUIH-QZTJIDSGSA-N 2 0 330.476 2.345 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000418701498 467147765 /nfs/dbraw/zinc/14/77/65/467147765.db2.gz GLRLBAMDKYCACY-SQGPQFPESA-N 2 0 344.503 2.420 10 0 EEAERP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418778900 467158403 /nfs/dbraw/zinc/15/84/03/467158403.db2.gz APBWPWFQPUAAOX-TVFCKZIOSA-N 2 0 334.508 2.034 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382721160 467378498 /nfs/dbraw/zinc/37/84/98/467378498.db2.gz MOJIAGZYYHVUHS-MSOLQXFVSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000382753432 467379341 /nfs/dbraw/zinc/37/93/41/467379341.db2.gz DSRBEJUXLREJSO-IEBWSBKVSA-N 2 0 329.488 2.499 10 0 EEAERP CCN1CC[C@H]([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266383 467398621 /nfs/dbraw/zinc/39/86/21/467398621.db2.gz PVEPJUOLWQKHOZ-HRCADAONSA-N 2 0 341.496 2.085 10 0 EEAERP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000414748625 467434053 /nfs/dbraw/zinc/43/40/53/467434053.db2.gz OPJVYVNCMMSQMR-ZIAGYGMSSA-N 2 0 337.414 2.111 10 0 EEAERP Cn1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C(C)(C)C)n1 ZINC000415051375 467476406 /nfs/dbraw/zinc/47/64/06/467476406.db2.gz JMYZCYGMGWZHLK-UHFFFAOYSA-N 2 0 333.524 2.024 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277680 467476899 /nfs/dbraw/zinc/47/68/99/467476899.db2.gz YGPQXQIMWPUONW-PKOBYXMFSA-N 2 0 349.519 2.124 10 0 EEAERP COc1cc(F)cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000449202182 467623353 /nfs/dbraw/zinc/62/33/53/467623353.db2.gz IDOLIAGVSAQPKC-KRWDZBQOSA-N 2 0 339.455 2.016 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc4cccnc4o3)ccn2)CC1 ZINC000514911208 467961846 /nfs/dbraw/zinc/96/18/46/467961846.db2.gz XRRCVDHRTVJLJB-UHFFFAOYSA-N 2 0 337.427 2.264 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000530321067 467975821 /nfs/dbraw/zinc/97/58/21/467975821.db2.gz ZXZHLHMHLZBTGC-SFHVURJKSA-N 2 0 340.471 2.296 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccc(C[N@H+]2CC[C@H](CO)[C@H]2C)cc1 ZINC000488741371 468100784 /nfs/dbraw/zinc/10/07/84/468100784.db2.gz ZFUYZTTZBVPNKG-SMOSDQRPSA-N 2 0 332.488 2.092 10 0 EEAERP CCC[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1CCOC ZINC000520416633 468249869 /nfs/dbraw/zinc/24/98/69/468249869.db2.gz MTZOQLUCEVQOCH-HXUWFJFHSA-N 2 0 331.504 2.265 10 0 EEAERP OCC1([NH2+]CC2CC2)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567994480 468252276 /nfs/dbraw/zinc/25/22/76/468252276.db2.gz NIEKUUKIHYYIOM-HXUWFJFHSA-N 2 0 343.515 2.087 10 0 EEAERP COCCN1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000582720443 468583983 /nfs/dbraw/zinc/58/39/83/468583983.db2.gz NDQQEPQWLUZNHD-INIZCTEOSA-N 2 0 339.867 2.369 10 0 EEAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594493338 468608122 /nfs/dbraw/zinc/60/81/22/468608122.db2.gz CHVCSFXERIKPRQ-GOSISDBHSA-N 2 0 334.460 2.409 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000594642145 468639806 /nfs/dbraw/zinc/63/98/06/468639806.db2.gz LGBUGFNOQJEVMF-LJQANCHMSA-N 2 0 327.472 2.497 10 0 EEAERP COC[C@@H](CC1CCOCC1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000595053922 468749585 /nfs/dbraw/zinc/74/95/85/468749585.db2.gz ZXASZLCAFKYSDC-MRXNPFEDSA-N 2 0 330.538 2.235 10 0 EEAERP C[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000561203446 468875473 /nfs/dbraw/zinc/87/54/73/468875473.db2.gz ZLFHUXPUGHJFRY-MJGOQNOKSA-N 2 0 330.476 2.092 10 0 EEAERP Cc1cnc(CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC000572152402 468893795 /nfs/dbraw/zinc/89/37/95/468893795.db2.gz UTHKQOXZPQDHTC-YOFSQIOKSA-N 2 0 342.531 2.484 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572380888 468925883 /nfs/dbraw/zinc/92/58/83/468925883.db2.gz BHAJJJFSLHATNI-DLBZAZTESA-N 2 0 330.476 2.121 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000629530895 469573043 /nfs/dbraw/zinc/57/30/43/469573043.db2.gz UNNBIYNSKLRYAS-AQNXPRMDSA-N 3 0 331.504 2.255 10 0 EEAERP C[N@@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428915 469653732 /nfs/dbraw/zinc/65/37/32/469653732.db2.gz DXDBWUQUYQDPEB-ICSRJNTNSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000626916703 469753737 /nfs/dbraw/zinc/75/37/37/469753737.db2.gz OMWRJKYJRTURTG-NJAFHUGGSA-N 2 0 330.476 2.263 10 0 EEAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626934623 469760912 /nfs/dbraw/zinc/76/09/12/469760912.db2.gz KFHDNIYOBSRNJW-GOSISDBHSA-N 2 0 342.487 2.019 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626938702 469762673 /nfs/dbraw/zinc/76/26/73/469762673.db2.gz JFKDIVVXLPINEL-CRAIPNDOSA-N 2 0 344.503 2.263 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[NH+](C)C)cc1 ZINC000626953570 469767475 /nfs/dbraw/zinc/76/74/75/469767475.db2.gz WTMRDEFZAYFTEF-RLLQIKCJSA-N 2 0 344.503 2.239 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000626993166 469781896 /nfs/dbraw/zinc/78/18/96/469781896.db2.gz CQVGJJYORAUMFS-QXCFHYIPSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000626995376 469782221 /nfs/dbraw/zinc/78/22/21/469782221.db2.gz SVOVNSBJBYDCBJ-UOVPBQLFSA-N 2 0 330.476 2.089 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626998154 469783426 /nfs/dbraw/zinc/78/34/26/469783426.db2.gz IIWXXDXUGOQFLX-NRSFXHEJSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000626999398 469783560 /nfs/dbraw/zinc/78/35/60/469783560.db2.gz ZAVRPSXHBOERAJ-LMSBXDPUSA-N 2 0 330.476 2.089 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627158247 469827852 /nfs/dbraw/zinc/82/78/52/469827852.db2.gz ORUDZVCGTXXSFS-INDMIFKZSA-N 2 0 342.487 2.043 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242380 469854384 /nfs/dbraw/zinc/85/43/84/469854384.db2.gz WATMZIJXVFTXTG-QWHCGFSZSA-N 2 0 338.418 2.043 10 0 EEAERP CN1CCOC[C@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000624176756 469866037 /nfs/dbraw/zinc/86/60/37/469866037.db2.gz RLWTZGPXBXMJAT-SOAGJPPSSA-N 2 0 331.504 2.350 10 0 EEAERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)n(CCc2ccccc2)n1 ZINC000621329132 470032097 /nfs/dbraw/zinc/03/20/97/470032097.db2.gz QSYDRLGFMAYYSD-UHFFFAOYSA-N 2 0 342.487 2.328 10 0 EEAERP COCc1cnc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000630962245 470038274 /nfs/dbraw/zinc/03/82/74/470038274.db2.gz XPRXMWPKPJTPTN-UHFFFAOYSA-N 2 0 333.461 2.048 10 0 EEAERP [NH3+]C1(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638851540 470304385 /nfs/dbraw/zinc/30/43/85/470304385.db2.gz OADDCBQDIXHUSZ-GOSISDBHSA-N 2 0 345.487 2.055 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000633337575 470429493 /nfs/dbraw/zinc/42/94/93/470429493.db2.gz KKGNSFCHDCLPEG-GBESFXJTSA-N 2 0 344.503 2.209 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000646927399 470779360 /nfs/dbraw/zinc/77/93/60/470779360.db2.gz JYDDWULSJOHVPE-MOPGFXCFSA-N 2 0 341.499 2.451 10 0 EEAERP CCO[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000650715153 470949187 /nfs/dbraw/zinc/94/91/87/470949187.db2.gz ROJRGAJRAWXDEO-RTBURBONSA-N 2 0 333.520 2.440 10 0 EEAERP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)OCO2 ZINC000650723881 470951049 /nfs/dbraw/zinc/95/10/49/470951049.db2.gz VIXKZACLCCNPDA-BFYDXBDKSA-N 2 0 348.443 2.285 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)CC1 ZINC000644533183 470976331 /nfs/dbraw/zinc/97/63/31/470976331.db2.gz CZNHXTDLGZISPR-HXUWFJFHSA-N 2 0 333.520 2.191 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc21 ZINC000647901162 471012129 /nfs/dbraw/zinc/01/21/29/471012129.db2.gz JSXXKDPCAUBAMX-ZWKOTPCHSA-N 2 0 327.472 2.430 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCNC2=O)CC1 ZINC000657276328 471082059 /nfs/dbraw/zinc/08/20/59/471082059.db2.gz AUYLHZIUOJBBFZ-SJLPKXTDSA-N 2 0 329.488 2.198 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000651193315 471084811 /nfs/dbraw/zinc/08/48/11/471084811.db2.gz SCBNNLXMWSJHTO-QGZVFWFLSA-N 2 0 326.529 2.338 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496932 471152895 /nfs/dbraw/zinc/15/28/95/471152895.db2.gz TZZJERIODZRIDI-RBUKOAKNSA-N 2 0 345.487 2.041 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641027081 471167910 /nfs/dbraw/zinc/16/79/10/471167910.db2.gz ULIATMLEPZRAPQ-MSOLQXFVSA-N 2 0 330.476 2.044 10 0 EEAERP CN(C)c1ccncc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596970 471179100 /nfs/dbraw/zinc/17/91/00/471179100.db2.gz PTTONCFCOMJBSC-LJQANCHMSA-N 2 0 340.471 2.004 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3OCO4)cc2)C1 ZINC000657595490 471180272 /nfs/dbraw/zinc/18/02/72/471180272.db2.gz QENFNSADHFZEAM-SFHVURJKSA-N 2 0 340.423 2.272 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000652221141 471257689 /nfs/dbraw/zinc/25/76/89/471257689.db2.gz RUWRXYAJGSPEQL-WOYTXXSLSA-N 2 0 332.492 2.415 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000652291735 471268544 /nfs/dbraw/zinc/26/85/44/471268544.db2.gz GDGBNRUVDAATMW-RBUKOAKNSA-N 2 0 344.503 2.470 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)[C@@H]2CCC[C@@H]21 ZINC000658138543 471270396 /nfs/dbraw/zinc/27/03/96/471270396.db2.gz NYVBTYQVTNOSCK-TUFLPTIASA-N 3 0 343.515 2.216 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOCC(F)(F)C(F)F)C1 ZINC000652364016 471280271 /nfs/dbraw/zinc/28/02/71/471280271.db2.gz VKCOHIJMTXPUBX-AGIUHOORSA-N 2 0 342.377 2.264 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290918 /nfs/dbraw/zinc/29/09/18/471290918.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 2 0 344.547 2.123 10 0 EEAERP Cc1n[nH]cc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000666234737 471323997 /nfs/dbraw/zinc/32/39/97/471323997.db2.gz RMRQNKOFXWPWMS-HNNXBMFYSA-N 2 0 328.460 2.396 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487652 471347692 /nfs/dbraw/zinc/34/76/92/471347692.db2.gz KDRBETCDWYCVFI-LISAXSMJSA-N 2 0 347.503 2.327 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C/C=C/c2ccccc2OC)CC1 ZINC000663502765 471402781 /nfs/dbraw/zinc/40/27/81/471402781.db2.gz AUEGIVYUIVLPKR-VMPITWQZSA-N 2 0 345.487 2.289 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000663502742 471402869 /nfs/dbraw/zinc/40/28/69/471402869.db2.gz AHKCJOJZFIXYHQ-UHFFFAOYSA-N 2 0 333.476 2.084 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659036368 471478253 /nfs/dbraw/zinc/47/82/53/471478253.db2.gz RHCHTODUARAXQA-QGZVFWFLSA-N 2 0 334.464 2.201 10 0 EEAERP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659040333 471482735 /nfs/dbraw/zinc/48/27/35/471482735.db2.gz FLCJGRACRISXSB-QGZVFWFLSA-N 2 0 346.475 2.343 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000655806098 471489464 /nfs/dbraw/zinc/48/94/64/471489464.db2.gz PFBUCLONBMEBTN-HEHGZKQESA-N 2 0 325.478 2.049 10 0 EEAERP C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)o1 ZINC000663736747 471497630 /nfs/dbraw/zinc/49/76/30/471497630.db2.gz YQTWVKXICXPZRK-GDBMZVCRSA-N 2 0 336.480 2.086 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000669529133 471536813 /nfs/dbraw/zinc/53/68/13/471536813.db2.gz FQINFAUYDIDVAL-RJFAQORQSA-N 2 0 348.535 2.314 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556709 471550779 /nfs/dbraw/zinc/55/07/79/471550779.db2.gz CBRUKMJCGAQQLX-NXJYUQPGSA-N 2 0 344.503 2.322 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000666919773 471587278 /nfs/dbraw/zinc/58/72/78/471587278.db2.gz DRFQLQGXPHAQHC-CQSZACIVSA-N 2 0 348.482 2.193 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953864 471602548 /nfs/dbraw/zinc/60/25/48/471602548.db2.gz JQTBJXIQROSOQH-FQEVSTJZSA-N 3 0 342.531 2.450 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C(C)C)C1CC1 ZINC000667014043 471623363 /nfs/dbraw/zinc/62/33/63/471623363.db2.gz MJASYTMESSWVLI-ZWKOTPCHSA-N 2 0 338.540 2.479 10 0 EEAERP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000659491847 471654085 /nfs/dbraw/zinc/65/40/85/471654085.db2.gz DMLIRQUKLIDSKC-MWQQHZPXSA-N 2 0 336.455 2.067 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659551825 471674675 /nfs/dbraw/zinc/67/46/75/471674675.db2.gz WJJNGQJCYISYTP-MSOLQXFVSA-N 2 0 344.503 2.325 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659582199 471687100 /nfs/dbraw/zinc/68/71/00/471687100.db2.gz GKXAIPNGYZQERO-RTBURBONSA-N 2 0 346.519 2.361 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661399394 471741911 /nfs/dbraw/zinc/74/19/11/471741911.db2.gz SRZWPCVCGICYBD-QZTJIDSGSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H](CC[N@@H+]1CCC[C@@](O)(C2CC2)C1)[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661628561 471833278 /nfs/dbraw/zinc/83/32/78/471833278.db2.gz VQKNHIKTMQCOKC-LSTHTHJFSA-N 2 0 336.520 2.239 10 0 EEAERP CCN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664782177 471859146 /nfs/dbraw/zinc/85/91/46/471859146.db2.gz IZAHDTBSYNJWCA-RTBURBONSA-N 2 0 344.503 2.244 10 0 EEAERP O=C1CCCCN1C1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667676281 471863846 /nfs/dbraw/zinc/86/38/46/471863846.db2.gz KYCWKAWXAAGARK-UHFFFAOYSA-N 2 0 339.443 2.244 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000660257177 471919569 /nfs/dbraw/zinc/91/95/69/471919569.db2.gz OVZLHRIYLHXXOD-UHFFFAOYSA-N 2 0 344.503 2.376 10 0 EEAERP COc1ccccc1-c1cc(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)on1 ZINC000665300030 471994675 /nfs/dbraw/zinc/99/46/75/471994675.db2.gz WXIQHZOTTRBOCB-RTBURBONSA-N 2 0 343.427 2.207 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662202843 472027988 /nfs/dbraw/zinc/02/79/88/472027988.db2.gz VJEFGRDHHAUXBR-QGZVFWFLSA-N 2 0 329.488 2.249 10 0 EEAERP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000662273347 472051567 /nfs/dbraw/zinc/05/15/67/472051567.db2.gz UMJGDNZQCPOQTF-OAHLLOKOSA-N 2 0 339.480 2.237 10 0 EEAERP O=S(=O)(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662296156 472060109 /nfs/dbraw/zinc/06/01/09/472060109.db2.gz YDLXBJADUZTVST-KRWDZBQOSA-N 2 0 336.501 2.172 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662524857 472139533 /nfs/dbraw/zinc/13/95/33/472139533.db2.gz BGCZUPQETVDOCP-ROUUACIJSA-N 2 0 333.476 2.082 10 0 EEAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662615010 472175044 /nfs/dbraw/zinc/17/50/44/472175044.db2.gz WZTYOJVQISZDLC-KRWDZBQOSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662689764 472208204 /nfs/dbraw/zinc/20/82/04/472208204.db2.gz XLJGCGFBMLXYGF-JTDSTZFVSA-N 2 0 345.487 2.227 10 0 EEAERP C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[N@H+](C)Cc1ccccc1 ZINC000662730304 472225839 /nfs/dbraw/zinc/22/58/39/472225839.db2.gz BUMKQHPADFLHGJ-ZDUSSCGKSA-N 2 0 330.432 2.119 10 0 EEAERP C[C@@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758400 472238151 /nfs/dbraw/zinc/23/81/51/472238151.db2.gz OGMQGYRXMKBVER-QAPCUYQASA-N 2 0 329.488 2.483 10 0 EEAERP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC2([NH3+])CC2)CC1 ZINC000662757089 472238367 /nfs/dbraw/zinc/23/83/67/472238367.db2.gz KZZUOKZLGLMVHM-AWEZNQCLSA-N 2 0 348.466 2.026 10 0 EEAERP CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000678734487 485488886 /nfs/dbraw/zinc/48/88/86/485488886.db2.gz HTDKYPPSCMVOOS-OAHLLOKOSA-N 2 0 345.487 2.479 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)C1 ZINC000658142063 485572125 /nfs/dbraw/zinc/57/21/25/485572125.db2.gz YLPPFVBMOGXHSH-ROUUACIJSA-N 2 0 326.444 2.074 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000680130740 485897321 /nfs/dbraw/zinc/89/73/21/485897321.db2.gz JPASJLGEZMWYEK-KRWDZBQOSA-N 2 0 342.443 2.394 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000416126344 534416452 /nfs/dbraw/zinc/41/64/52/534416452.db2.gz DPVVGKJJFJPQFE-RTBURBONSA-N 2 0 327.472 2.178 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000422742649 535990621 /nfs/dbraw/zinc/99/06/21/535990621.db2.gz GSBOYGNENDGQHB-NZSAHSFTSA-N 3 0 335.467 2.134 10 0 EEAERP COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775391668 577436493 /nfs/dbraw/zinc/43/64/93/577436493.db2.gz CJGCFJBCGIYDCS-YJBOKZPZSA-N 2 0 336.476 2.339 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261738514 681780886 /nfs/dbraw/zinc/78/08/86/681780886.db2.gz IELWRLPNANDHFP-SFTDATJTSA-N 3 0 345.531 2.363 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnn(C2CCC2)c1 ZINC000925041641 682665912 /nfs/dbraw/zinc/66/59/12/682665912.db2.gz QAGGLQLJLQQNNV-NVXWUHKLSA-N 2 0 331.508 2.427 10 0 EEAERP CC[N@H+]1CCc2nnc([C@@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257189573 684149320 /nfs/dbraw/zinc/14/93/20/684149320.db2.gz NXIWJEXKIVQODI-QGZVFWFLSA-N 2 0 325.460 2.146 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)c2c(F)cccc2F)C1 ZINC000925594334 684592774 /nfs/dbraw/zinc/59/27/74/684592774.db2.gz FWQBQMNJZBXHCS-VXGBXAGGSA-N 2 0 325.403 2.190 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCN1c1cc[nH+]cc1 ZINC000895556537 684641304 /nfs/dbraw/zinc/64/13/04/684641304.db2.gz JQFPEXHXFIJOMF-INIZCTEOSA-N 2 0 334.427 2.373 10 0 EEAERP COc1ccccc1[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCCC1 ZINC000899962849 693939798 /nfs/dbraw/zinc/93/97/98/693939798.db2.gz COCDHRCSMKGNRI-QGZVFWFLSA-N 2 0 343.471 2.044 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)CN1CC[NH+](C)CC1 ZINC000902789184 694181179 /nfs/dbraw/zinc/18/11/79/694181179.db2.gz DESRDZFJLLXCMU-ROUUACIJSA-N 2 0 341.503 2.406 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000925322454 692044316 /nfs/dbraw/zinc/04/43/16/692044316.db2.gz PPANSVJGADSUOW-FGTMMUONSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000927007156 693144213 /nfs/dbraw/zinc/14/42/13/693144213.db2.gz BPLWSRKAIOPCRK-WCQYABFASA-N 2 0 327.270 2.207 10 0 EEAERP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641101 1191875808 /nfs/dbraw/zinc/87/58/08/1191875808.db2.gz OPDTZPNKYRJPST-KKSLTYSGSA-N 2 0 349.519 2.177 10 0 EEAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001485696828 1191903503 /nfs/dbraw/zinc/90/35/03/1191903503.db2.gz YGRRLDKCFPAEJI-AFYVEPGGSA-N 2 0 343.515 2.472 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001485792415 1191954844 /nfs/dbraw/zinc/95/48/44/1191954844.db2.gz FBAZGFXKNUTZLR-LSDHHAIUSA-N 2 0 331.451 2.104 10 0 EEAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC001272733729 1192403949 /nfs/dbraw/zinc/40/39/49/1192403949.db2.gz FOEQLXNXPHQQBK-WKILWMFISA-N 2 0 332.492 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H]1CCC(F)(F)C1 ZINC001480872353 1176509718 /nfs/dbraw/zinc/50/97/18/1176509718.db2.gz YUNSTCSGHISGLD-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)sn1 ZINC001266545933 1176804172 /nfs/dbraw/zinc/80/41/72/1176804172.db2.gz RMJSPKPZZPGVHM-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC001772526773 1176904299 /nfs/dbraw/zinc/90/42/99/1176904299.db2.gz AUZKMQVKAMIKPO-VVWVRIMMSA-N 2 0 342.483 2.291 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1nsc2ccccc12)[NH+](C)C ZINC001266732079 1177317670 /nfs/dbraw/zinc/31/76/70/1177317670.db2.gz FDXBWIAMYZPDQR-KRWDZBQOSA-N 2 0 348.516 2.431 10 0 EEAERP CCc1cccc(OCC[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001266808599 1177466049 /nfs/dbraw/zinc/46/60/49/1177466049.db2.gz KZBDEPRNWAKOLY-IBGZPJMESA-N 2 0 347.503 2.160 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC001266813142 1177472191 /nfs/dbraw/zinc/47/21/91/1177472191.db2.gz GCLPVFRJXNPNJA-MRXNPFEDSA-N 2 0 348.491 2.222 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOC1CCCCCC1 ZINC001266967886 1177939743 /nfs/dbraw/zinc/93/97/43/1177939743.db2.gz KYHDCTFDPCMZLN-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)CCn2ccnc2)c(C)c1 ZINC001691417930 1178029659 /nfs/dbraw/zinc/02/96/59/1178029659.db2.gz AWHWWRNPHFPMAD-UHFFFAOYSA-N 2 0 328.460 2.447 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001267046175 1178144088 /nfs/dbraw/zinc/14/40/88/1178144088.db2.gz XRZSVJOTUUHZLN-INIZCTEOSA-N 2 0 347.478 2.291 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001267065000 1178178381 /nfs/dbraw/zinc/17/83/81/1178178381.db2.gz OQJWMNUYLUVXQW-IBGZPJMESA-N 2 0 341.499 2.071 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267108134 1178261952 /nfs/dbraw/zinc/26/19/52/1178261952.db2.gz KWSFDMXKEHDMBO-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267114001 1178274162 /nfs/dbraw/zinc/27/41/62/1178274162.db2.gz WQLHQIGKECJQBS-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001267176029 1178414813 /nfs/dbraw/zinc/41/48/13/1178414813.db2.gz XKYUVIJYMLSCFD-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1)[NH+](C)C ZINC001267178902 1178431787 /nfs/dbraw/zinc/43/17/87/1178431787.db2.gz GRWZDRDLPVJKDC-CVEARBPZSA-N 2 0 336.480 2.184 10 0 EEAERP COc1cccc(CCC[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001267374638 1178895099 /nfs/dbraw/zinc/89/50/99/1178895099.db2.gz IEAMZIOGECNIIO-VQIMIIECSA-N 2 0 347.503 2.016 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267379642 1178927840 /nfs/dbraw/zinc/92/78/40/1178927840.db2.gz BCIIZSQCUOHVSI-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456435 1179038323 /nfs/dbraw/zinc/03/83/23/1179038323.db2.gz XIUXDRVDAGLFSE-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCCC1CCOCC1 ZINC001480950840 1179110368 /nfs/dbraw/zinc/11/03/68/1179110368.db2.gz LUBDABFQOLDKBF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)(C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1)[NH+]1CCCCC1 ZINC001267521875 1179254038 /nfs/dbraw/zinc/25/40/38/1179254038.db2.gz WUDJSGFLCVNNSB-SFHVURJKSA-N 2 0 347.503 2.080 10 0 EEAERP CC[N@@H+](CC=C(C)C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001480987264 1179431960 /nfs/dbraw/zinc/43/19/60/1179431960.db2.gz AUQFSEDXRBIYCB-UHFFFAOYSA-N 2 0 327.432 2.285 10 0 EEAERP CCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1c(C)noc1C ZINC001480991248 1179440806 /nfs/dbraw/zinc/44/08/06/1179440806.db2.gz BZCPXLNGKKMEAT-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001481118501 1179787414 /nfs/dbraw/zinc/78/74/14/1179787414.db2.gz JLYXPVHRASBDDZ-DLBZAZTESA-N 2 0 347.507 2.016 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481124901 1179825158 /nfs/dbraw/zinc/82/51/58/1179825158.db2.gz XJTWEGBJSXSIQT-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP Cc1ccc(OCCC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001267730318 1180318824 /nfs/dbraw/zinc/31/88/24/1180318824.db2.gz NYJOALXRVCSOOO-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1C ZINC001481231758 1180365328 /nfs/dbraw/zinc/36/53/28/1180365328.db2.gz NULAZKGLKNYQDE-DOTOQJQBSA-N 2 0 339.430 2.243 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481249802 1180464512 /nfs/dbraw/zinc/46/45/12/1180464512.db2.gz HUAFGTUZXOIILW-UHFFFAOYSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481302379 1180963339 /nfs/dbraw/zinc/96/33/39/1180963339.db2.gz LOOCXJULLWOWBY-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)Cc1cncn1C ZINC001481304709 1180974864 /nfs/dbraw/zinc/97/48/64/1180974864.db2.gz ZPEGWYXTGNZLFW-UXBLZVDNSA-N 2 0 326.444 2.114 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)s1 ZINC001481317196 1181015626 /nfs/dbraw/zinc/01/56/26/1181015626.db2.gz IUKXBDHFBQMROM-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001481317629 1181016971 /nfs/dbraw/zinc/01/69/71/1181016971.db2.gz JFUNGQSJHIXGDC-HDICACEKSA-N 2 0 331.504 2.458 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1N(C)C ZINC001481320038 1181026009 /nfs/dbraw/zinc/02/60/09/1181026009.db2.gz UGSPVKLMSIZELO-LJQANCHMSA-N 2 0 346.519 2.175 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268062953 1181648958 /nfs/dbraw/zinc/64/89/58/1181648958.db2.gz GARWOXXVCIGZRU-JTZKNUQKSA-N 2 0 329.488 2.477 10 0 EEAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001268070805 1181668670 /nfs/dbraw/zinc/66/86/70/1181668670.db2.gz JSGTZJNBZIXNJX-NVXWUHKLSA-N 2 0 330.476 2.382 10 0 EEAERP COCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268175412 1181953973 /nfs/dbraw/zinc/95/39/73/1181953973.db2.gz DUFSRWIJGGYJBK-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCCCC(F)(F)F)C1)C1CCC1 ZINC001481703243 1182248677 /nfs/dbraw/zinc/24/86/77/1182248677.db2.gz QWQPCWYIYQRDGP-CYBMUJFWSA-N 2 0 335.414 2.394 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348579 1182303883 /nfs/dbraw/zinc/30/38/83/1182303883.db2.gz HRNDHJYDZMUHHV-KXBFYZLASA-N 2 0 340.471 2.313 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001268372060 1182368197 /nfs/dbraw/zinc/36/81/97/1182368197.db2.gz AUZWXSMPXNENMW-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001481738785 1182455855 /nfs/dbraw/zinc/45/58/55/1182455855.db2.gz PNQXYFSTCGAHBM-KRWDZBQOSA-N 2 0 333.520 2.441 10 0 EEAERP C[C@H](CC[NH2+]CC[C@H]1CCCCO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268403236 1182511450 /nfs/dbraw/zinc/51/14/50/1182511450.db2.gz KNQDGPPJCXMUDQ-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ncccc1C ZINC001268456758 1182714949 /nfs/dbraw/zinc/71/49/49/1182714949.db2.gz NNTJVQMRKBOGCH-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc2cnoc2C)C1 ZINC001481844530 1182786229 /nfs/dbraw/zinc/78/62/29/1182786229.db2.gz ZROWWKLTNCGWAY-RDJZCZTQSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncc(C[NH2+]C[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C2CC2)o1 ZINC001481929597 1182974836 /nfs/dbraw/zinc/97/48/36/1182974836.db2.gz BSTLLZXBNBUBLN-APWZRJJASA-N 2 0 348.491 2.232 10 0 EEAERP COc1ccncc1CC(=O)N[C@@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001481932789 1182983751 /nfs/dbraw/zinc/98/37/51/1182983751.db2.gz CHLARVGRAIHBRB-IBGZPJMESA-N 2 0 331.460 2.307 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268494771 1182996877 /nfs/dbraw/zinc/99/68/77/1182996877.db2.gz QWBGIOLNRDGAEP-FQEVSTJZSA-N 2 0 329.488 2.419 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC001482000282 1183113834 /nfs/dbraw/zinc/11/38/34/1183113834.db2.gz LGRYIYFENKRCKB-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001268587747 1183385587 /nfs/dbraw/zinc/38/55/87/1183385587.db2.gz KYDBREHNRFRPJL-PHXNAMCJSA-N 2 0 345.462 2.417 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1F ZINC001268588350 1183387397 /nfs/dbraw/zinc/38/73/97/1183387397.db2.gz QSMSIEGNHRDTNP-ARJAWSKDSA-N 2 0 327.831 2.193 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001268610974 1183520332 /nfs/dbraw/zinc/52/03/32/1183520332.db2.gz YUULXXBAQJUOTC-IHWYPQMZSA-N 2 0 329.435 2.026 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC001268822870 1183741602 /nfs/dbraw/zinc/74/16/02/1183741602.db2.gz ULUJWQIOJXWYLT-HOTGVXAUSA-N 2 0 335.467 2.494 10 0 EEAERP CN(CCC[NH2+]C/C=C/c1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001268916149 1183824590 /nfs/dbraw/zinc/82/45/90/1183824590.db2.gz ZASHFCKUTDSHKE-WEVVVXLNSA-N 2 0 327.472 2.234 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCCCOC)C2)C1)[NH+](C)C ZINC001269740594 1184574185 /nfs/dbraw/zinc/57/41/85/1184574185.db2.gz GPKYYRWMTILRFX-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001270051197 1184812330 /nfs/dbraw/zinc/81/23/30/1184812330.db2.gz VIFOUFDZBACCEF-AEFFLSMTSA-N 2 0 337.508 2.009 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482304064 1185238289 /nfs/dbraw/zinc/23/82/89/1185238289.db2.gz NKRRHXIPSMJDSA-AWEZNQCLSA-N 2 0 348.491 2.110 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508265 1185361231 /nfs/dbraw/zinc/36/12/31/1185361231.db2.gz IUWNSHWMZLWKLW-OALUTQOASA-N 2 0 329.488 2.294 10 0 EEAERP CC(C)OCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270770734 1185380446 /nfs/dbraw/zinc/38/04/46/1185380446.db2.gz XFOQFFWYTXTRDG-IBGZPJMESA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001271348274 1186153940 /nfs/dbraw/zinc/15/39/40/1186153940.db2.gz WJLSTORQIUGDFL-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482497184 1186400436 /nfs/dbraw/zinc/40/04/36/1186400436.db2.gz CBDKNOROQCZIEW-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001272772245 1193490606 /nfs/dbraw/zinc/49/06/06/1193490606.db2.gz DLHWUYKIQYTAPV-CJNGLKHVSA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001482831835 1187751718 /nfs/dbraw/zinc/75/17/18/1187751718.db2.gz ATDMQNVRLJXBLG-ZYSHUDEJSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001482874849 1187795100 /nfs/dbraw/zinc/79/51/00/1187795100.db2.gz MZUSIBIERGEAMO-CQSZACIVSA-N 2 0 338.471 2.183 10 0 EEAERP CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914396 1187840093 /nfs/dbraw/zinc/84/00/93/1187840093.db2.gz NJOFPPKMYSGHKV-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)C1CC[NH+](C)CC1 ZINC001482948280 1187886713 /nfs/dbraw/zinc/88/67/13/1187886713.db2.gz QTXVDPLYMODNQT-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1Cl)C(=O)Cc1ncc[nH]1 ZINC001482959644 1187897559 /nfs/dbraw/zinc/89/75/59/1187897559.db2.gz FSVCOYJSBLMUBI-UHFFFAOYSA-N 2 0 334.851 2.286 10 0 EEAERP CCc1nocc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483013304 1187997395 /nfs/dbraw/zinc/99/73/95/1187997395.db2.gz ZAQZEQARVNTBFI-VOTSOKGWSA-N 2 0 348.491 2.264 10 0 EEAERP Cc1nc(C(C)C)oc1CNC/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001483018862 1188006053 /nfs/dbraw/zinc/00/60/53/1188006053.db2.gz RYZNTZBTMDCOHL-VOTSOKGWSA-N 2 0 348.491 2.353 10 0 EEAERP CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)CCC[NH+]1CCCC1 ZINC001691619268 1188319833 /nfs/dbraw/zinc/31/98/33/1188319833.db2.gz IYIUEZMWOAIFBF-UHFFFAOYSA-N 2 0 338.883 2.159 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691620030 1188320701 /nfs/dbraw/zinc/32/07/01/1188320701.db2.gz FLYXMQXFUABUBX-MSOLQXFVSA-N 2 0 341.540 2.360 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001483060496 1188354965 /nfs/dbraw/zinc/35/49/65/1188354965.db2.gz LLQBXIZHHHKPKU-FEFZKZJHSA-N 2 0 345.487 2.360 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001409276211 1188585345 /nfs/dbraw/zinc/58/53/45/1188585345.db2.gz SRBZRMGCUDIQIE-UHFFFAOYSA-N 2 0 335.467 2.460 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001483188663 1189060587 /nfs/dbraw/zinc/06/05/87/1189060587.db2.gz QZKJBMVKBDMDBZ-CQSZACIVSA-N 2 0 328.460 2.160 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)C[NH+]1CCCC1 ZINC001483192795 1189078727 /nfs/dbraw/zinc/07/87/27/1189078727.db2.gz GFEKKXUHTZILMV-CVEARBPZSA-N 2 0 329.488 2.426 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001485882633 1193628657 /nfs/dbraw/zinc/62/86/57/1193628657.db2.gz KYTYXIYZCUCCMW-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001409413967 1189644716 /nfs/dbraw/zinc/64/47/16/1189644716.db2.gz PRDXYCHNNYIJNM-NWDGAFQWSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001409419995 1189648539 /nfs/dbraw/zinc/64/85/39/1189648539.db2.gz LJTGMLNNPKCWIL-KBPBESRZSA-N 2 0 335.879 2.419 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001409423580 1189655382 /nfs/dbraw/zinc/65/53/82/1189655382.db2.gz QXSJJASDWXBKIZ-KBPBESRZSA-N 2 0 348.491 2.014 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001409569717 1190051295 /nfs/dbraw/zinc/05/12/95/1190051295.db2.gz LLDHSUUUXIRSJN-JCGIZDLHSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001485944037 1193654076 /nfs/dbraw/zinc/65/40/76/1193654076.db2.gz JPGRZRTWRIGGNL-HUUCEWRRSA-N 2 0 333.451 2.419 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001483244207 1190273377 /nfs/dbraw/zinc/27/33/77/1190273377.db2.gz MQPQYQSUAZGNGA-ZDUSSCGKSA-N 2 0 337.414 2.188 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001483437901 1190479081 /nfs/dbraw/zinc/47/90/81/1190479081.db2.gz QSOWRRNBPJRMBT-HZPDHXFCSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@H](C[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)OC ZINC001483492543 1190510105 /nfs/dbraw/zinc/51/01/05/1190510105.db2.gz FNZLYEHUCULYNO-QAPCUYQASA-N 2 0 345.503 2.062 10 0 EEAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)OC ZINC001493543107 1190527067 /nfs/dbraw/zinc/52/70/67/1190527067.db2.gz CENFEOBTYPMYIW-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c(C)n1 ZINC001483606157 1190584415 /nfs/dbraw/zinc/58/44/15/1190584415.db2.gz BANCZTODCAREPB-SFHVURJKSA-N 2 0 332.492 2.023 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CC2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001272625431 1190937597 /nfs/dbraw/zinc/93/75/97/1190937597.db2.gz UNLSXTNNUIBNGB-ICSRJNTNSA-N 2 0 333.520 2.491 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001483790335 1191030827 /nfs/dbraw/zinc/03/08/27/1191030827.db2.gz FNBBJANDWRSTAI-UHFFFAOYSA-N 2 0 326.444 2.002 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](C[C@@H](F)CC)C2)C1 ZINC001483847995 1191083506 /nfs/dbraw/zinc/08/35/06/1191083506.db2.gz QFLRFCQIPUQNIW-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC(C)C ZINC001483936742 1191123953 /nfs/dbraw/zinc/12/39/53/1191123953.db2.gz UIYQHXAAOPCAQX-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC(C)C ZINC001483936741 1191123957 /nfs/dbraw/zinc/12/39/57/1191123957.db2.gz UIYQHXAAOPCAQX-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccn2)C1 ZINC001484093402 1191207474 /nfs/dbraw/zinc/20/74/74/1191207474.db2.gz HKWHTGRUVHLLCL-UYAOXDASSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484108290 1191215706 /nfs/dbraw/zinc/21/57/06/1191215706.db2.gz NOVLZSGPVADPSM-QOKNQOGYSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001484546194 1191408045 /nfs/dbraw/zinc/40/80/45/1191408045.db2.gz DZVFFCHVQMWEHN-OIZKETEYSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)c1 ZINC001484700569 1191472236 /nfs/dbraw/zinc/47/22/36/1191472236.db2.gz OUCYQVJFLXIAFI-PKOBYXMFSA-N 2 0 347.503 2.213 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2nccs2)CC1 ZINC001484726110 1191485665 /nfs/dbraw/zinc/48/56/65/1191485665.db2.gz JHYQHFDMIACQBL-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1cncs1 ZINC001484742959 1191494792 /nfs/dbraw/zinc/49/47/92/1191494792.db2.gz URCLAMLJBUQJLE-MRXNPFEDSA-N 2 0 338.521 2.296 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001484971924 1191596866 /nfs/dbraw/zinc/59/68/66/1191596866.db2.gz JPZPGLOJGZTRLO-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001485041482 1191623087 /nfs/dbraw/zinc/62/30/87/1191623087.db2.gz OJAFYAKBJLURHQ-ZUTSKAEESA-N 2 0 334.291 2.228 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001485100790 1191652156 /nfs/dbraw/zinc/65/21/56/1191652156.db2.gz JPKPWBGADGQUNT-UHFFFAOYSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H]([NH2+]Cc1ccns1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485163691 1191675144 /nfs/dbraw/zinc/67/51/44/1191675144.db2.gz PYFNSWWLMACCQR-KGLIPLIRSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001485191652 1191686678 /nfs/dbraw/zinc/68/66/78/1191686678.db2.gz SZVIHXCIDUOYKF-VXGBXAGGSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485205359 1191692655 /nfs/dbraw/zinc/69/26/55/1191692655.db2.gz BDSFBLFQHHUFPG-KGLIPLIRSA-N 2 0 336.480 2.086 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001485450798 1191789554 /nfs/dbraw/zinc/78/95/54/1191789554.db2.gz MXFVWXYLXBTFJG-BZUAXINKSA-N 2 0 327.488 2.483 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCCN1Cc1cnc(C)o1 ZINC001485483852 1191800332 /nfs/dbraw/zinc/80/03/32/1191800332.db2.gz CPNVUYVUIOACLA-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1ccccc1OCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001273056315 1194359357 /nfs/dbraw/zinc/35/93/57/1194359357.db2.gz SHWSSXCRCQCBIU-QGZVFWFLSA-N 2 0 345.487 2.097 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001273123247 1194406754 /nfs/dbraw/zinc/40/67/54/1194406754.db2.gz PPQWBXZBWJIKGN-SWLSCSKDSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1c(F)cccc1F)[NH+](C)C ZINC001273123610 1194407094 /nfs/dbraw/zinc/40/70/94/1194407094.db2.gz XRZMKECJFGFEJS-WBMJQRKESA-N 2 0 327.419 2.289 10 0 EEAERP C[C@H](c1cccc(F)c1)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001409975040 1195990283 /nfs/dbraw/zinc/99/02/83/1195990283.db2.gz MYIPLFTXGIGREL-LSDHHAIUSA-N 2 0 333.451 2.419 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC001410114634 1197554857 /nfs/dbraw/zinc/55/48/57/1197554857.db2.gz FWDMJVZXOKQTQW-NNZMDNLPSA-N 2 0 349.906 2.476 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001410392428 1197791910 /nfs/dbraw/zinc/79/19/10/1197791910.db2.gz KQBRZSAPMVHGPW-KBXCAEBGSA-N 2 0 330.476 2.445 10 0 EEAERP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000872144515 1198053330 /nfs/dbraw/zinc/05/33/30/1198053330.db2.gz GWMCPTMCOQXIEB-INIZCTEOSA-N 2 0 330.538 2.301 10 0 EEAERP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000872228240 1198099620 /nfs/dbraw/zinc/09/96/20/1198099620.db2.gz GKLLFAMGGOSTHM-FDYSRKEFSA-N 2 0 348.487 2.481 10 0 EEAERP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255960 1198114228 /nfs/dbraw/zinc/11/42/28/1198114228.db2.gz PDHYWSGNPPKIDL-XHSDSOJGSA-N 2 0 335.835 2.015 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001273383057 1198426977 /nfs/dbraw/zinc/42/69/77/1198426977.db2.gz VORNYCSZNAGUTA-ZWKOTPCHSA-N 2 0 335.467 2.494 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ocnc3C)[C@H]2C1 ZINC001410914569 1198569994 /nfs/dbraw/zinc/56/99/94/1198569994.db2.gz GZNMEQDKLUINSE-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949424 1198615019 /nfs/dbraw/zinc/61/50/19/1198615019.db2.gz IKPBANUJWHWVGX-ZIAGYGMSSA-N 2 0 336.505 2.002 10 0 EEAERP CCOC1CC(C[N@H+](C)CCN(C(=O)[C@@H]2CCC[NH+]2C)C(C)C)C1 ZINC001411182071 1198874710 /nfs/dbraw/zinc/87/47/10/1198874710.db2.gz FNCMVEQKTDUHFH-ABHNRTSZSA-N 2 0 339.524 2.065 10 0 EEAERP CC[N@H+](CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)C1CC1 ZINC000870190621 1200543853 /nfs/dbraw/zinc/54/38/53/1200543853.db2.gz STUKBCUKUWMURG-UHFFFAOYSA-N 2 0 329.488 2.251 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1c1cccs1 ZINC000870892433 1200936516 /nfs/dbraw/zinc/93/65/16/1200936516.db2.gz JTKPHHAHKZQRTR-TWTQLAGVSA-N 2 0 333.501 2.375 10 0 EEAERP COC(=O)[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000886636411 1202537692 /nfs/dbraw/zinc/53/76/92/1202537692.db2.gz NDXNXQIJLIFJEM-ROUUACIJSA-N 2 0 331.460 2.225 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC=C(Cl)Cl)C12CCC[NH+](CCC1)C2 ZINC001274126422 1204390989 /nfs/dbraw/zinc/39/09/89/1204390989.db2.gz ZWSHUGPNVQKIKW-OWOJBTEDSA-N 2 0 346.302 2.443 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001276053412 1205754038 /nfs/dbraw/zinc/75/40/38/1205754038.db2.gz XAFSJLCFYANFQZ-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001276278593 1205865705 /nfs/dbraw/zinc/86/57/05/1205865705.db2.gz CVPPZSHZENKSIW-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cn2)CC1 ZINC000924626568 1206006775 /nfs/dbraw/zinc/00/67/75/1206006775.db2.gz KTAISWFPCLCRSJ-AZUAARDMSA-N 2 0 344.503 2.128 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924808786 1206035204 /nfs/dbraw/zinc/03/52/04/1206035204.db2.gz VYTCZISWJZTNCX-SFHVURJKSA-N 2 0 344.503 2.415 10 0 EEAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924875175 1206045093 /nfs/dbraw/zinc/04/50/93/1206045093.db2.gz AZFXLRYRFJAGIE-WOJBJXKFSA-N 2 0 346.519 2.244 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343659 1206100390 /nfs/dbraw/zinc/10/03/90/1206100390.db2.gz WPLKNFJUXIIWEQ-ZHALLVOQSA-N 2 0 344.503 2.243 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C12CCC2 ZINC000925517033 1206121963 /nfs/dbraw/zinc/12/19/63/1206121963.db2.gz XBIRCKVIQYSQEP-NWANDNLSSA-N 2 0 338.835 2.004 10 0 EEAERP CC1(C)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535850 1206124443 /nfs/dbraw/zinc/12/44/43/1206124443.db2.gz LSQFZVWUPSCTLX-PVAVHDDUSA-N 2 0 331.460 2.250 10 0 EEAERP [NH3+][C@@H]1C[C@H](NCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925538780 1206124809 /nfs/dbraw/zinc/12/48/09/1206124809.db2.gz TUHNIZZEGNEJOD-MOPGFXCFSA-N 2 0 328.504 2.058 10 0 EEAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)c1 ZINC000925563779 1206128692 /nfs/dbraw/zinc/12/86/92/1206128692.db2.gz FKMVLIZRQPPGEE-KDDNCGOXSA-N 2 0 327.472 2.108 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583991 1206132291 /nfs/dbraw/zinc/13/22/91/1206132291.db2.gz ONQDHTIKRODTES-ZWKOTPCHSA-N 2 0 348.922 2.322 10 0 EEAERP CCc1cc(N2CCC[C@@H]([NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)ncn1 ZINC000925619824 1206136571 /nfs/dbraw/zinc/13/65/71/1206136571.db2.gz BPQFJQSJNMAFOO-FPAYPSAMSA-N 2 0 343.519 2.374 10 0 EEAERP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)nc2)C1 ZINC000925634647 1206138067 /nfs/dbraw/zinc/13/80/67/1206138067.db2.gz PEVAZFRGMPYALJ-FPAYPSAMSA-N 2 0 343.519 2.410 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925658544 1206140968 /nfs/dbraw/zinc/14/09/68/1206140968.db2.gz PHBLZCKZKLEXCP-IHETXDGRSA-N 2 0 338.442 2.482 10 0 EEAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925801010 1206154924 /nfs/dbraw/zinc/15/49/24/1206154924.db2.gz IEOBPQPJXXNFIP-ORBLRFAASA-N 2 0 330.538 2.490 10 0 EEAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925801011 1206154893 /nfs/dbraw/zinc/15/48/93/1206154893.db2.gz IEOBPQPJXXNFIP-SOEBMCCKSA-N 2 0 330.538 2.490 10 0 EEAERP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925800875 1206155035 /nfs/dbraw/zinc/15/50/35/1206155035.db2.gz ZUIQFHMVPJHKSH-QWFCFKBJSA-N 2 0 331.504 2.204 10 0 EEAERP C[C@H]1CC2(CC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C2)CO1 ZINC000926126895 1206195745 /nfs/dbraw/zinc/19/57/45/1206195745.db2.gz SMNBQNLBCHIQTH-VOMHLDQXSA-N 2 0 330.472 2.300 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CCCCC1 ZINC000928089312 1206338539 /nfs/dbraw/zinc/33/85/39/1206338539.db2.gz JXNGPNOEOFDHSY-HZPDHXFCSA-N 2 0 339.549 2.195 10 0 EEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929754142 1206498444 /nfs/dbraw/zinc/49/84/44/1206498444.db2.gz KCVNLZSSQLQNHH-LWYYNNOASA-N 2 0 330.472 2.244 10 0 EEAERP O[C@H](CC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000929834730 1206506436 /nfs/dbraw/zinc/50/64/36/1206506436.db2.gz KHHLFVXREPYGQM-VQTJNVASSA-N 2 0 341.455 2.078 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C)cn1 ZINC000931397275 1207370208 /nfs/dbraw/zinc/37/02/08/1207370208.db2.gz QTJDBYOQWPAQAA-QGZVFWFLSA-N 2 0 332.492 2.187 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@]2(C)C1 ZINC000933731499 1207828371 /nfs/dbraw/zinc/82/83/71/1207828371.db2.gz BGRPBEMFRFIUOS-HKBOAZHASA-N 2 0 343.515 2.161 10 0 EEAERP C[NH+]1CCC(OCC(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)CC1 ZINC001412786226 1208454481 /nfs/dbraw/zinc/45/44/81/1208454481.db2.gz GEYJMZCRUIQOND-UHFFFAOYSA-N 2 0 329.444 2.214 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837842 1248818925 /nfs/dbraw/zinc/81/89/25/1248818925.db2.gz MJQSSGAWDYPJHR-DZGCQCFKSA-N 2 0 338.883 2.280 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900579227 1234511895 /nfs/dbraw/zinc/51/18/95/1234511895.db2.gz PBERNACSPSERRW-QGZVFWFLSA-N 2 0 344.459 2.131 10 0 EEAERP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000900908932 1234988026 /nfs/dbraw/zinc/98/80/26/1234988026.db2.gz NCYVSAMLAJMWQR-MJGOQNOKSA-N 2 0 349.519 2.107 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379570 1238537998 /nfs/dbraw/zinc/53/79/98/1238537998.db2.gz JZBPMRZPSVQXOQ-KSSFIOAISA-N 2 0 333.451 2.203 10 0 EEAERP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000902922543 1239100624 /nfs/dbraw/zinc/10/06/24/1239100624.db2.gz TYUKWQQWTYILGK-BBWFWOEESA-N 2 0 327.513 2.016 10 0 EEAERP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903083983 1239691702 /nfs/dbraw/zinc/69/17/02/1239691702.db2.gz SCNMMBKQPRWPTD-AABGKKOBSA-N 2 0 330.472 2.436 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 ZINC000903431028 1240452725 /nfs/dbraw/zinc/45/27/25/1240452725.db2.gz DHWKEJLQRIXDFP-DOTOQJQBSA-N 2 0 335.879 2.154 10 0 EEAERP COc1ccccc1NC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903431095 1240453169 /nfs/dbraw/zinc/45/31/69/1240453169.db2.gz MNRBAKHKYPVDQW-ZBFHGGJFSA-N 2 0 331.460 2.201 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000903431022 1240453291 /nfs/dbraw/zinc/45/32/91/1240453291.db2.gz DEFZZLXAFAJMPU-MAUKXSAKSA-N 2 0 333.451 2.281 10 0 EEAERP [NH3+]Cc1cn([C@H]2CCC[N@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)nn1 ZINC000903458908 1240530359 /nfs/dbraw/zinc/53/03/59/1240530359.db2.gz MTQNMHBOLCCASS-GVDBMIGSSA-N 2 0 347.413 2.423 10 0 EEAERP CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496955 1240677577 /nfs/dbraw/zinc/67/75/77/1240677577.db2.gz KWQWYZBCEZPVML-NVXWUHKLSA-N 2 0 333.476 2.008 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000903948566 1242666888 /nfs/dbraw/zinc/66/68/88/1242666888.db2.gz RGFWTEKWISIZHZ-ZWKOTPCHSA-N 2 0 347.507 2.231 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc(CC(C)C)s1)C2 ZINC000903978246 1242833182 /nfs/dbraw/zinc/83/31/82/1242833182.db2.gz BWEPTKDUGDLYPJ-AHIWAGSCSA-N 2 0 337.489 2.054 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](Cc3ocnc3C)CC[C@H]21 ZINC001490983099 1258538461 /nfs/dbraw/zinc/53/84/61/1258538461.db2.gz NQXZGAYPMGKCPM-IAGOWNOFSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)O1 ZINC001491084636 1258650031 /nfs/dbraw/zinc/65/00/31/1258650031.db2.gz CBNCRKYDFOCRIJ-FJIDUMEYSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001491260921 1258858889 /nfs/dbraw/zinc/85/88/89/1258858889.db2.gz CNIJVRBCBWYTAH-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001491369731 1259003636 /nfs/dbraw/zinc/00/36/36/1259003636.db2.gz GJEGSQAABLRXAK-ABHNRTSZSA-N 2 0 339.524 2.304 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001491456741 1259101048 /nfs/dbraw/zinc/10/10/48/1259101048.db2.gz JPTIPSXWYYMACH-QAPCUYQASA-N 2 0 344.503 2.141 10 0 EEAERP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850278339 1277134889 /nfs/dbraw/zinc/13/48/89/1277134889.db2.gz PUAQEIUNMMKPCR-ZDUSSCGKSA-N 2 0 331.420 2.270 10 0 EEAERP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000850357780 1277197714 /nfs/dbraw/zinc/19/77/14/1277197714.db2.gz VFQKAEXKEFOBIW-XJKSGUPXSA-N 2 0 347.484 2.053 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000850500758 1277248964 /nfs/dbraw/zinc/24/89/64/1277248964.db2.gz JDDFROIQCRHTQX-ZJIFWQFVSA-N 2 0 331.595 2.228 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001273652375 1282300036 /nfs/dbraw/zinc/30/00/36/1282300036.db2.gz BNTMGXLJYLQBGC-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCc1ccccc1F ZINC001490317562 1291204674 /nfs/dbraw/zinc/20/46/74/1291204674.db2.gz GZZDHQMXTJGYDY-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C2)ccc1C ZINC001490579502 1291475205 /nfs/dbraw/zinc/47/52/05/1291475205.db2.gz DCNOHQAVTGHAST-KRWDZBQOSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccc(F)cc1 ZINC001490729885 1291709500 /nfs/dbraw/zinc/70/95/00/1291709500.db2.gz YIUFFCARVLFXFL-RDTXWAMCSA-N 2 0 345.462 2.467 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3OCCO3)C2)ccn1 ZINC000856605546 1293579827 /nfs/dbraw/zinc/57/98/27/1293579827.db2.gz XOOBPQAHQPFMLB-GOSISDBHSA-N 2 0 349.475 2.138 10 0 EEAERP Cc1c(F)nccc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000862275766 1295779031 /nfs/dbraw/zinc/77/90/31/1295779031.db2.gz IWFMXZCAZLSCMU-UHFFFAOYSA-N 2 0 344.434 2.110 10 0 EEAERP Cc1c(F)nccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000862295384 1295786121 /nfs/dbraw/zinc/78/61/21/1295786121.db2.gz DUXGIQQROXEXKP-UHFFFAOYSA-N 2 0 344.434 2.110 10 0 EEAERP CSc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549567 1296329642 /nfs/dbraw/zinc/32/96/42/1296329642.db2.gz GFEYKPRMFOAHBW-SJORKVTESA-N 2 0 347.484 2.166 10 0 EEAERP Cc1c(C(=O)NC[C@@H]2CC[N@H+]2CCCOC(C)C)ccc2c[nH+]cn21 ZINC001276877243 1300053542 /nfs/dbraw/zinc/05/35/42/1300053542.db2.gz XHJXPXQWFCEGOV-INIZCTEOSA-N 2 0 344.459 2.262 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001317943861 1332448128 /nfs/dbraw/zinc/44/81/28/1332448128.db2.gz YWFXODKIFYNZIN-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP C[C@@H](CCC[NH2+]C[C@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277329419 1302446391 /nfs/dbraw/zinc/44/63/91/1302446391.db2.gz RBZVRGQXWVILOX-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355848 1302614080 /nfs/dbraw/zinc/61/40/80/1302614080.db2.gz NFWAJHCMVLDCAY-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001277827854 1304711612 /nfs/dbraw/zinc/71/16/12/1304711612.db2.gz YCDYMFKVJQKJAZ-YQVWRLOYSA-N 2 0 347.503 2.151 10 0 EEAERP O=C(CCn1ccnc1)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001277909303 1305054975 /nfs/dbraw/zinc/05/49/75/1305054975.db2.gz JUABDYLZQJCHIJ-LJQANCHMSA-N 2 0 340.471 2.487 10 0 EEAERP CON(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000799126997 1305163069 /nfs/dbraw/zinc/16/30/69/1305163069.db2.gz KHVCHXULSHRTKU-RTBURBONSA-N 2 0 345.487 2.383 10 0 EEAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000841848789 1315622034 /nfs/dbraw/zinc/62/20/34/1315622034.db2.gz TWZZRNYXQSLSKB-UHFFFAOYSA-N 2 0 335.451 2.427 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Cl)n1 ZINC000841849897 1315623379 /nfs/dbraw/zinc/62/33/79/1315623379.db2.gz OOIOCDYHZRBDTA-PMOUVXMZSA-N 2 0 336.867 2.019 10 0 EEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000843360881 1315900541 /nfs/dbraw/zinc/90/05/41/1315900541.db2.gz LEKBPDFFCVEMHZ-FUDCBSFHSA-N 2 0 333.398 2.132 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001278703114 1317796397 /nfs/dbraw/zinc/79/63/97/1317796397.db2.gz DXQDSZUARIMSDO-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001491567533 1322498855 /nfs/dbraw/zinc/49/88/55/1322498855.db2.gz WIKYHVPQQOUKKK-CQSZACIVSA-N 2 0 328.460 2.104 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCCCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001263816575 1322524904 /nfs/dbraw/zinc/52/49/04/1322524904.db2.gz DYXCMAGGQRLXSV-AWEZNQCLSA-N 2 0 347.425 2.348 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1OCC ZINC001263975714 1322574818 /nfs/dbraw/zinc/57/48/18/1322574818.db2.gz NUXAEIDUOOJZHF-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001264743176 1322799749 /nfs/dbraw/zinc/79/97/49/1322799749.db2.gz VUBXNQNNXWCSAI-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCCOC)C2)C1 ZINC001265223034 1322993949 /nfs/dbraw/zinc/99/39/49/1322993949.db2.gz PERVCTSCUZDAAO-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001265422172 1323148003 /nfs/dbraw/zinc/14/80/03/1323148003.db2.gz CWLZOZDYMMQTIH-IXDFTOQJSA-N 2 0 327.472 2.375 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001265433702 1323152896 /nfs/dbraw/zinc/15/28/96/1323152896.db2.gz HAPDXBMEKVSGPA-KRWDZBQOSA-N 2 0 345.487 2.049 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001265453915 1323164100 /nfs/dbraw/zinc/16/41/00/1323164100.db2.gz ADSMAGKIPWELQH-PMACEKPBSA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001265621430 1323273330 /nfs/dbraw/zinc/27/33/30/1323273330.db2.gz JTIMYORUSCWTCC-ZDUSSCGKSA-N 2 0 335.414 2.109 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265706569 1323343589 /nfs/dbraw/zinc/34/35/89/1323343589.db2.gz XIXSZJVLZZEKNR-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001265961900 1323522587 /nfs/dbraw/zinc/52/25/87/1323522587.db2.gz KBSCBMQBNNFDPO-POHAHGRESA-N 2 0 326.444 2.412 10 0 EEAERP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265971427 1323532111 /nfs/dbraw/zinc/53/21/11/1323532111.db2.gz MXOKBZIBRBSXEN-DZGCQCFKSA-N 2 0 339.430 2.416 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(C)ccc1OC ZINC001266070123 1323625107 /nfs/dbraw/zinc/62/51/07/1323625107.db2.gz NWYIGKAYMBTPQA-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1N(C)C ZINC001266109446 1323676073 /nfs/dbraw/zinc/67/60/73/1323676073.db2.gz WMBAAWGNHLVTJG-SFHVURJKSA-N 2 0 346.519 2.033 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCOCc2ccccc2)C1 ZINC001266110829 1323677192 /nfs/dbraw/zinc/67/71/92/1323677192.db2.gz PXJQOFNRGUNGQZ-IBGZPJMESA-N 2 0 347.503 2.078 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1nccs1 ZINC001266228984 1323805722 /nfs/dbraw/zinc/80/57/22/1323805722.db2.gz QCOCLHBIIITWHS-LSDHHAIUSA-N 2 0 336.505 2.098 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001279669385 1323975573 /nfs/dbraw/zinc/97/55/73/1323975573.db2.gz XVUZZOOFLANLTO-QGZVFWFLSA-N 2 0 345.462 2.416 10 0 EEAERP O=C(NCC1([NH2+]CCC[C@@H]2CCOC2)CCC1)C12CCC[NH+]1CCC2 ZINC001280491323 1324253230 /nfs/dbraw/zinc/25/32/30/1324253230.db2.gz LMBZTNPLFGAGLK-QGZVFWFLSA-N 2 0 349.519 2.060 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2=CCCCC2)CCOCC1 ZINC001281264226 1324922903 /nfs/dbraw/zinc/92/29/03/1324922903.db2.gz IESOKDZPAFETCQ-UHFFFAOYSA-N 2 0 337.508 2.084 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC3=CCCCC3)CCOCC2)C1 ZINC001281279977 1324930845 /nfs/dbraw/zinc/93/08/45/1324930845.db2.gz JVLLKCZZQLZANI-GOSISDBHSA-N 2 0 349.519 2.084 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001281770486 1325445956 /nfs/dbraw/zinc/44/59/56/1325445956.db2.gz LRNJXJVZOGVWFR-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001282231020 1325657658 /nfs/dbraw/zinc/65/76/58/1325657658.db2.gz STJVAMKKPAVBPM-HZPDHXFCSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001282715482 1325771389 /nfs/dbraw/zinc/77/13/89/1325771389.db2.gz WILBZCLPKZSYFN-GZBFAFLISA-N 2 0 349.441 2.496 10 0 EEAERP CCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001282781131 1325785080 /nfs/dbraw/zinc/78/50/80/1325785080.db2.gz IWOPEHBVRGXXQE-IEBWSBKVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001283192899 1325951105 /nfs/dbraw/zinc/95/11/05/1325951105.db2.gz WCGDFEYNWPXEFL-WMZOPIPTSA-N 2 0 332.492 2.249 10 0 EEAERP COCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001284347222 1326513152 /nfs/dbraw/zinc/51/31/52/1326513152.db2.gz DPEQVTKZZGYRIM-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001284373494 1326525648 /nfs/dbraw/zinc/52/56/48/1326525648.db2.gz NRACFLSOUDLZII-ZIAGYGMSSA-N 2 0 337.430 2.211 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](Cc2ccccn2)CC1 ZINC001284927540 1326779362 /nfs/dbraw/zinc/77/93/62/1326779362.db2.gz FORNKNLVRTYZGL-LJQANCHMSA-N 2 0 342.487 2.204 10 0 EEAERP Cc1cc(F)ccc1C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284961038 1326796829 /nfs/dbraw/zinc/79/68/29/1326796829.db2.gz ZMMADUHCQOKLJJ-UHFFFAOYSA-N 2 0 333.451 2.334 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001316638761 1326967801 /nfs/dbraw/zinc/96/78/01/1326967801.db2.gz DSMPMLOHMJRTBC-VAMGGRTRSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001491653342 1330199980 /nfs/dbraw/zinc/19/99/80/1330199980.db2.gz DBODCZVGXXYXRW-PXNSSMCTSA-N 2 0 329.488 2.118 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491859224 1330276745 /nfs/dbraw/zinc/27/67/45/1330276745.db2.gz RKQMXYAVDKIFCV-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCOC2CCC2)C1)C1CCC1 ZINC001491874259 1330283778 /nfs/dbraw/zinc/28/37/78/1330283778.db2.gz MQQHWYHHXQWPKB-HZPDHXFCSA-N 2 0 337.508 2.057 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001491893606 1330292978 /nfs/dbraw/zinc/29/29/78/1330292978.db2.gz FYUJQLPOVMXLIH-IAGOWNOFSA-N 2 0 336.455 2.080 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001492074165 1330445747 /nfs/dbraw/zinc/44/57/47/1330445747.db2.gz YOHNROVTRXJYLN-RYRKJORJSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(Cl)s1 ZINC001492113170 1330481906 /nfs/dbraw/zinc/48/19/06/1330481906.db2.gz OZEKSNOLRSAIPF-GFCCVEGCSA-N 2 0 341.908 2.482 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCC[C@@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC001492115279 1330483975 /nfs/dbraw/zinc/48/39/75/1330483975.db2.gz QFGJDOMTEGXCKB-CYBMUJFWSA-N 2 0 346.479 2.031 10 0 EEAERP Cc1nsc(C)c1CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001492251570 1331113340 /nfs/dbraw/zinc/11/33/40/1331113340.db2.gz QZLHVBWHJLFGLS-MRXNPFEDSA-N 2 0 338.521 2.181 10 0 EEAERP Cc1cccc(OCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001492369126 1331193641 /nfs/dbraw/zinc/19/36/41/1331193641.db2.gz BMEUQQTVAPCUKT-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001316728266 1331864750 /nfs/dbraw/zinc/86/47/50/1331864750.db2.gz VVYSRCOFFPVTQK-UONOGXRCSA-N 2 0 337.430 2.355 10 0 EEAERP Cc1nocc1C[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001316926739 1331994077 /nfs/dbraw/zinc/99/40/77/1331994077.db2.gz FIAVRXQADXQSSR-GASCZTMLSA-N 2 0 348.491 2.327 10 0 EEAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317088533 1332074716 /nfs/dbraw/zinc/07/47/16/1332074716.db2.gz RKVCPDILGDUFFV-IIDMSEBBSA-N 2 0 325.472 2.402 10 0 EEAERP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001317677553 1332366246 /nfs/dbraw/zinc/36/62/46/1332366246.db2.gz BNLVFXUHQIBULI-CRAIPNDOSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001318802040 1332599908 /nfs/dbraw/zinc/59/99/08/1332599908.db2.gz AKWCXKLLKXYTRO-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001318829310 1332606030 /nfs/dbraw/zinc/60/60/30/1332606030.db2.gz YWTNXPWGTBXERQ-KRWDZBQOSA-N 2 0 344.503 2.142 10 0 EEAERP Cc1cncc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001318906910 1332621703 /nfs/dbraw/zinc/62/17/03/1332621703.db2.gz GAADXMLBSQIMDD-LJQANCHMSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ocnc2C)CC1 ZINC001318925799 1332624550 /nfs/dbraw/zinc/62/45/50/1332624550.db2.gz BTESSMUNIPRMFL-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001318958599 1332628847 /nfs/dbraw/zinc/62/88/47/1332628847.db2.gz DVKRRXNDDDTCKF-XLAORIBOSA-N 2 0 339.524 2.039 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC001318989449 1332633566 /nfs/dbraw/zinc/63/35/66/1332633566.db2.gz XNHSEMFICDQXNH-OALUTQOASA-N 2 0 345.487 2.056 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001319130387 1332653440 /nfs/dbraw/zinc/65/34/40/1332653440.db2.gz VDKUBZVSJZKTBN-FUKWUPMWSA-N 2 0 327.472 2.376 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319224170 1332667712 /nfs/dbraw/zinc/66/77/12/1332667712.db2.gz FTSBLCIIEYDGEA-QFBILLFUSA-N 2 0 331.504 2.228 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001319658129 1332735315 /nfs/dbraw/zinc/73/53/15/1332735315.db2.gz WJLSTORQIUGDFL-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC001320033715 1332813328 /nfs/dbraw/zinc/81/33/28/1332813328.db2.gz ZIJQJTAAFDKCLQ-UHFFFAOYSA-N 2 0 343.446 2.449 10 0 EEAERP C[C@H](CC[NH2+]CCCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320414952 1332877873 /nfs/dbraw/zinc/87/78/73/1332877873.db2.gz NJRJMBIFPOLALF-XLIONFOSSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001320477807 1332893665 /nfs/dbraw/zinc/89/36/65/1332893665.db2.gz YTPDALFFZMXZPO-OAHLLOKOSA-N 2 0 333.451 2.439 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001320643620 1332927861 /nfs/dbraw/zinc/92/78/61/1332927861.db2.gz HDORDFWUFWLVSK-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH]cn2)c(C)s1 ZINC001321085160 1333015575 /nfs/dbraw/zinc/01/55/75/1333015575.db2.gz RPOUIXQMKXNRGT-ARJAWSKDSA-N 2 0 332.473 2.483 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211907 1333046127 /nfs/dbraw/zinc/04/61/27/1333046127.db2.gz UFXYXGNTFJZULU-XVWMLYKFSA-N 2 0 333.451 2.491 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001321337189 1333077793 /nfs/dbraw/zinc/07/77/93/1333077793.db2.gz OXCWJSZTIWDHEW-MBZYTVFJSA-N 2 0 348.491 2.174 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCc1c(F)cccc1Cl)[NH+](C)C ZINC001321709656 1333146586 /nfs/dbraw/zinc/14/65/86/1333146586.db2.gz FIBSFBURNUZZNH-MLGOLLRUSA-N 2 0 343.874 2.456 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ncccn1 ZINC001322511788 1333274038 /nfs/dbraw/zinc/27/40/38/1333274038.db2.gz LFYMJUKLQAUCJL-INIZCTEOSA-N 2 0 347.507 2.240 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001322693153 1333308970 /nfs/dbraw/zinc/30/89/70/1333308970.db2.gz CODXGEAYJWUYEW-MRXNPFEDSA-N 2 0 342.487 2.448 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cscn1)[NH+]1CCCC1 ZINC001322852475 1333341828 /nfs/dbraw/zinc/34/18/28/1333341828.db2.gz PDTWBHGUWDFTTO-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]C/C=C\c2ccccc2)C1 ZINC001324276532 1333648112 /nfs/dbraw/zinc/64/81/12/1333648112.db2.gz KKYNUEPZMPCYDQ-KHMSUIGKSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@H]([NH2+]Cc1ccns1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455484 1333889578 /nfs/dbraw/zinc/88/95/78/1333889578.db2.gz LPRUACOYWBUELH-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3coc(C)n3)C2)CC[N@@H+]1C ZINC001326273357 1334057465 /nfs/dbraw/zinc/05/74/65/1334057465.db2.gz SNEAZYWLXATWBU-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001326365916 1334077423 /nfs/dbraw/zinc/07/74/23/1334077423.db2.gz WPRPKRSEPZWQEE-STQMWFEESA-N 2 0 336.307 2.474 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccns1)NC(=O)CC1CC[NH+](C)CC1 ZINC001675986209 1357082241 /nfs/dbraw/zinc/08/22/41/1357082241.db2.gz OMCICJPBMUUOSB-CQSZACIVSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1ccc(CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001330976969 1334939400 /nfs/dbraw/zinc/93/94/00/1334939400.db2.gz MZEQIYQNQPHQKB-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001332339853 1335806000 /nfs/dbraw/zinc/80/60/00/1335806000.db2.gz ISQVRRBLJYOIMN-NBZFBGEYSA-N 2 0 327.900 2.489 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333020854 1335948596 /nfs/dbraw/zinc/94/85/96/1335948596.db2.gz JJTSFCKBNGDUJB-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CCC[C@@H]3CCOC3)CC2)CCC1 ZINC001333354966 1336018289 /nfs/dbraw/zinc/01/82/89/1336018289.db2.gz USKGVQGXYQJQBY-GOSISDBHSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCc3cccs3)CC2)C1 ZINC001333406617 1336036885 /nfs/dbraw/zinc/03/68/85/1336036885.db2.gz NELZCOWYZWWGOS-INIZCTEOSA-N 2 0 347.528 2.381 10 0 EEAERP Cn1c(Cl)ncc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000848530620 1338715262 /nfs/dbraw/zinc/71/52/62/1338715262.db2.gz ILLOWSTXELGAFW-UHFFFAOYSA-N 2 0 347.894 2.111 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC001434802309 1341945463 /nfs/dbraw/zinc/94/54/63/1341945463.db2.gz NOHHMMIYRDUDRP-SJLPKXTDSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001500381580 1342183822 /nfs/dbraw/zinc/18/38/22/1342183822.db2.gz ARYFJEFUSUXCFX-YJBOKZPZSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001505716555 1342238523 /nfs/dbraw/zinc/23/85/23/1342238523.db2.gz IOCJSIAIVAHQFA-DLBZAZTESA-N 2 0 349.523 2.179 10 0 EEAERP CCc1ccccc1CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001506677427 1342310897 /nfs/dbraw/zinc/31/08/97/1342310897.db2.gz QZBILIHNXLFLBG-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176054 1342705174 /nfs/dbraw/zinc/70/51/74/1342705174.db2.gz HKHMGSAUBHEBEE-HOTGVXAUSA-N 2 0 336.480 2.232 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)C(C)(C)n2cnc(C)c2)o1 ZINC001567514909 1342775633 /nfs/dbraw/zinc/77/56/33/1342775633.db2.gz IUMZFXRYINZIES-UHFFFAOYSA-N 2 0 347.463 2.034 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001570626863 1343093920 /nfs/dbraw/zinc/09/39/20/1343093920.db2.gz HUXRZGWCUPHSPD-QWHCGFSZSA-N 2 0 338.883 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2cccc(C)c2)C[C@H]1C ZINC001571491211 1343219258 /nfs/dbraw/zinc/21/92/58/1343219258.db2.gz OEBFBPUQOTXKMO-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](CCOCC2CC2)CC1 ZINC001571700408 1343281374 /nfs/dbraw/zinc/28/13/74/1343281374.db2.gz BMDLMYJVPXBDKR-IAGOWNOFSA-N 2 0 349.519 2.034 10 0 EEAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCCCF ZINC001677033355 1357266578 /nfs/dbraw/zinc/26/65/78/1357266578.db2.gz XUSHQTONWMQPIT-HNNXBMFYSA-N 2 0 325.472 2.049 10 0 EEAERP CCOCC[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001677606856 1357370008 /nfs/dbraw/zinc/37/00/08/1357370008.db2.gz BFKKHSZRDGLCSV-KRWDZBQOSA-N 2 0 337.508 2.036 10 0 EEAERP C[C@@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC001677617065 1357374708 /nfs/dbraw/zinc/37/47/08/1357374708.db2.gz YAJPOCCKUBOKHY-IEBWSBKVSA-N 2 0 349.519 2.034 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001649441325 1353506903 /nfs/dbraw/zinc/50/69/03/1353506903.db2.gz WEPIKODHNYVLSA-KRWDZBQOSA-N 2 0 331.504 2.181 10 0 EEAERP COc1ccc(C[C@H](C)[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC001650014810 1353688632 /nfs/dbraw/zinc/68/86/32/1353688632.db2.gz JIISYJGJONUFPP-RDJZCZTQSA-N 2 0 343.475 2.274 10 0 EEAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC2(Br)CC2)CC1 ZINC001655066750 1354163805 /nfs/dbraw/zinc/16/38/05/1354163805.db2.gz RBECPMIPCUAJHH-UHFFFAOYSA-N 2 0 331.298 2.227 10 0 EEAERP CCOC(=O)CCCCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001655574969 1354178575 /nfs/dbraw/zinc/17/85/75/1354178575.db2.gz AAZVPOTUWVDTTK-UHFFFAOYSA-N 2 0 326.481 2.343 10 0 EEAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001656542762 1354246273 /nfs/dbraw/zinc/24/62/73/1354246273.db2.gz NZEFBWIKTUXFMW-SJORKVTESA-N 2 0 349.523 2.075 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccnn1C ZINC001660529072 1354482006 /nfs/dbraw/zinc/48/20/06/1354482006.db2.gz LWGRMDFNRRGRBM-UHFFFAOYSA-N 2 0 349.523 2.013 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCCc2ccsc2)C2CC2)C1 ZINC001661192914 1354602837 /nfs/dbraw/zinc/60/28/37/1354602837.db2.gz NJWQRRDJNCVZCF-DLBZAZTESA-N 2 0 335.517 2.117 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001661374849 1354631771 /nfs/dbraw/zinc/63/17/71/1354631771.db2.gz CFKNJNWMCUKFON-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001661823776 1354703991 /nfs/dbraw/zinc/70/39/91/1354703991.db2.gz YCDMMSZCRYMEPI-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001662839858 1354861898 /nfs/dbraw/zinc/86/18/98/1354861898.db2.gz XJJOIWCTQNIHSW-ROUUACIJSA-N 2 0 339.499 2.391 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001663443469 1354962969 /nfs/dbraw/zinc/96/29/69/1354962969.db2.gz UKBWTAOPZCNQQG-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1ccc(OCC[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001664391356 1355152967 /nfs/dbraw/zinc/15/29/67/1355152967.db2.gz JAYFUKWGYAAVJY-HDICACEKSA-N 2 0 347.503 2.295 10 0 EEAERP CCN(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCCOC)C1)c1ccccc1 ZINC001665080930 1355273147 /nfs/dbraw/zinc/27/31/47/1355273147.db2.gz PUVIGSKKIYDXJM-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCOc1ccccc1)C1CC1 ZINC001665984973 1355420323 /nfs/dbraw/zinc/42/03/23/1355420323.db2.gz NPEKSHIFJBPFJW-AZUAARDMSA-N 2 0 345.487 2.034 10 0 EEAERP CC[NH2+]CCC1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001666226788 1355489495 /nfs/dbraw/zinc/48/94/95/1355489495.db2.gz AKFQKDHLKBBDRE-UHFFFAOYSA-N 2 0 327.432 2.119 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001666938765 1355618217 /nfs/dbraw/zinc/61/82/17/1355618217.db2.gz MQFQOXXRSKXLDH-GFCCVEGCSA-N 2 0 341.415 2.189 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001666991435 1355628936 /nfs/dbraw/zinc/62/89/36/1355628936.db2.gz CHPJUTPQONPPBS-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001667307104 1355705253 /nfs/dbraw/zinc/70/52/53/1355705253.db2.gz QQQYSPNNAZKWMF-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001668106068 1355872254 /nfs/dbraw/zinc/87/22/54/1355872254.db2.gz KXYMVTCNIUNCOG-AWEZNQCLSA-N 2 0 336.505 2.004 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccns2)C1 ZINC001668178493 1355892065 /nfs/dbraw/zinc/89/20/65/1355892065.db2.gz GCFRWVHYIDIXQL-GJZGRUSLSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001668197183 1355897213 /nfs/dbraw/zinc/89/72/13/1355897213.db2.gz NFMKBIIEGHWCFZ-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001669592422 1356181006 /nfs/dbraw/zinc/18/10/06/1356181006.db2.gz ZLWPIUQTBIHSJV-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001672329214 1356502149 /nfs/dbraw/zinc/50/21/49/1356502149.db2.gz VOSKAVDXLBXEET-MJGOQNOKSA-N 2 0 331.504 2.255 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001672531596 1356547796 /nfs/dbraw/zinc/54/77/96/1356547796.db2.gz XFMVLYPUNQINJC-FGTMMUONSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001672816762 1356591661 /nfs/dbraw/zinc/59/16/61/1356591661.db2.gz WLKBJFLXSWYCCP-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001672820469 1356592222 /nfs/dbraw/zinc/59/22/22/1356592222.db2.gz LQURLCUPZXEGKJ-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001673305272 1356664348 /nfs/dbraw/zinc/66/43/48/1356664348.db2.gz LFSCJZQOVWTXFZ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001675268588 1356955752 /nfs/dbraw/zinc/95/57/52/1356955752.db2.gz BYPIQDDEQCLFQQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCc1ccc(Cl)cc1 ZINC001698774143 1405053807 /nfs/dbraw/zinc/05/38/07/1405053807.db2.gz YXCCLLKHIGBXAZ-OAHLLOKOSA-N 2 0 349.906 2.320 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001698803023 1405076493 /nfs/dbraw/zinc/07/64/93/1405076493.db2.gz KWXUSEFBVNFJRH-QGZVFWFLSA-N 2 0 339.524 2.306 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]C/C=C\Cl ZINC001698950686 1405180985 /nfs/dbraw/zinc/18/09/85/1405180985.db2.gz UQRKAXVCVWIBIB-IIKMGHGCSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCOC1 ZINC001699539979 1405377930 /nfs/dbraw/zinc/37/79/30/1405377930.db2.gz ZVFCFMULEKWCQS-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699540027 1405378182 /nfs/dbraw/zinc/37/81/82/1405378182.db2.gz YBVUURREPJUCSR-HUUCEWRRSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1ccc(CCC[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001699545227 1405379754 /nfs/dbraw/zinc/37/97/54/1405379754.db2.gz JMPAGOMBAGKVMX-UHFFFAOYSA-N 2 0 343.515 2.462 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2o1 ZINC001699550642 1405387053 /nfs/dbraw/zinc/38/70/53/1405387053.db2.gz KEKWTRKDQAYJGB-HUUCEWRRSA-N 2 0 344.459 2.279 10 0 EEAERP CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)C[NH+]1CCCC1 ZINC001699551232 1405388110 /nfs/dbraw/zinc/38/81/10/1405388110.db2.gz QMVAISFVPKFQBD-UHFFFAOYSA-N 2 0 337.895 2.416 10 0 EEAERP O=C(NCC1([NH2+]CCCc2ccccc2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001699651115 1405430809 /nfs/dbraw/zinc/43/08/09/1405430809.db2.gz KUVHVZVGRBNJLC-LJQANCHMSA-N 2 0 341.499 2.199 10 0 EEAERP O=C(C[NH2+]Cc1cncc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000816620372 784156588 /nfs/dbraw/zinc/15/65/88/784156588.db2.gz SAPLDRLZNZQPKQ-UHFFFAOYSA-N 2 0 340.471 2.317 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000819062668 785406508 /nfs/dbraw/zinc/40/65/08/785406508.db2.gz RYQVDMMGNPIWSR-RBUKOAKNSA-N 2 0 337.483 2.029 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)cn2)CC1 ZINC000921523406 788838350 /nfs/dbraw/zinc/83/83/50/788838350.db2.gz ZGWZJXHSFCGWGQ-IPMKNSEASA-N 2 0 344.503 2.128 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2nsc3ccccc32)C[C@H]1C[NH+](C)C ZINC000913436039 788873722 /nfs/dbraw/zinc/87/37/22/788873722.db2.gz AUGOVKFAFCJVPC-ZIAGYGMSSA-N 2 0 346.500 2.108 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000844174544 788886182 /nfs/dbraw/zinc/88/61/82/788886182.db2.gz KKWNIDPNQXUVMJ-ILXRZTDVSA-N 2 0 336.867 2.176 10 0 EEAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)COCc1ccccc1 ZINC000923308164 789334755 /nfs/dbraw/zinc/33/47/55/789334755.db2.gz DZYFMKLSUIIOCX-RAFMOHDBSA-N 2 0 332.488 2.417 10 0 EEAERP Fc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923308571 789343394 /nfs/dbraw/zinc/34/33/94/789343394.db2.gz FGLMGFFUAQVMPF-ROUUACIJSA-N 2 0 334.435 2.185 10 0 EEAERP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306505 789349861 /nfs/dbraw/zinc/34/98/61/789349861.db2.gz SHFAAOMPEKPCJI-QZTJIDSGSA-N 2 0 346.471 2.055 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccn(-c3cccc(F)c3)n1)CC2 ZINC000923450176 789580670 /nfs/dbraw/zinc/58/06/70/789580670.db2.gz SSYQBFDWEJUZNU-GOSISDBHSA-N 2 0 344.434 2.341 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000923451410 789582758 /nfs/dbraw/zinc/58/27/58/789582758.db2.gz LNCVDIJDZMUQFC-GOSISDBHSA-N 2 0 338.455 2.473 10 0 EEAERP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502514 789667347 /nfs/dbraw/zinc/66/73/47/789667347.db2.gz ZIYXCPFQRQUGOG-RBSFLKMASA-N 2 0 333.501 2.431 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@H]1C[NH3+] ZINC000923505052 789689761 /nfs/dbraw/zinc/68/97/61/789689761.db2.gz XDGQVPZLCFISON-RYUDHWBXSA-N 2 0 327.375 2.143 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923503438 789700011 /nfs/dbraw/zinc/70/00/11/789700011.db2.gz IFGBMIRVVAKFPG-NEPJUHHUSA-N 2 0 327.375 2.143 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000713432090 794598030 /nfs/dbraw/zinc/59/80/30/794598030.db2.gz NOWDQLSHESKMKV-HLNWXESRSA-N 2 0 327.472 2.285 10 0 EEAERP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000921881626 797842460 /nfs/dbraw/zinc/84/24/60/797842460.db2.gz RYENSUWUJRAFQB-MAUKXSAKSA-N 2 0 345.491 2.024 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001176037952 798326490 /nfs/dbraw/zinc/32/64/90/798326490.db2.gz COOPZGKYBOEDRX-LPHOPBHVSA-N 2 0 344.503 2.497 10 0 EEAERP C[C@@H]1[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000922558805 801293287 /nfs/dbraw/zinc/29/32/87/801293287.db2.gz WYFXLOJAHKTKDZ-RHSMWYFYSA-N 2 0 336.911 2.274 10 0 EEAERP CC(C)[C@H](C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773089 808210274 /nfs/dbraw/zinc/21/02/74/808210274.db2.gz OSAPUQSHIUSEKC-IAGOWNOFSA-N 2 0 326.481 2.149 10 0 EEAERP CN(CCC[N@H+](C)C[C@H](O)c1ccccc1Cl)CC[NH+](C)C ZINC000808781481 812851846 /nfs/dbraw/zinc/85/18/46/812851846.db2.gz IIBJRLYMBILTGX-KRWDZBQOSA-N 2 0 327.900 2.189 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001566453627 1125613034 /nfs/dbraw/zinc/61/30/34/1125613034.db2.gz FNCFWXHVCUJYDB-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001566512689 1125683471 /nfs/dbraw/zinc/68/34/71/1125683471.db2.gz ARVBXTWVCYRYCX-FQEVSTJZSA-N 2 0 329.488 2.419 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436672165 1088116431 /nfs/dbraw/zinc/11/64/31/1088116431.db2.gz RWXGMVOZZCLSDJ-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP COCc1ccc(C[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cc1 ZINC001436673063 1088117249 /nfs/dbraw/zinc/11/72/49/1088117249.db2.gz KTDIQUSLHDAVHC-UHFFFAOYSA-N 2 0 347.503 2.208 10 0 EEAERP Cc1ncsc1C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001436704035 1088168783 /nfs/dbraw/zinc/16/87/83/1088168783.db2.gz RRMLTQQAGCZGGE-UHFFFAOYSA-N 2 0 338.521 2.215 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001436922491 1088582588 /nfs/dbraw/zinc/58/25/88/1088582588.db2.gz AEZRNXWXQBXXLN-RBSFLKMASA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cscn2)C1)[NH+]1CCCC1 ZINC001436932936 1088603270 /nfs/dbraw/zinc/60/32/70/1088603270.db2.gz AFNFOLWSUCCONH-DZKIICNBSA-N 2 0 336.505 2.000 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001437000050 1088747880 /nfs/dbraw/zinc/74/78/80/1088747880.db2.gz TUQMFWVDJXROTN-IRXDYDNUSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001437142203 1089134911 /nfs/dbraw/zinc/13/49/11/1089134911.db2.gz DFPCHWCYJMEPPT-KBXCAEBGSA-N 2 0 348.466 2.222 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001437232983 1089329425 /nfs/dbraw/zinc/32/94/25/1089329425.db2.gz IQRHACAXXHDGOC-QGZVFWFLSA-N 2 0 347.503 2.009 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001437312089 1089470789 /nfs/dbraw/zinc/47/07/89/1089470789.db2.gz QMCMXIJOUDBZLE-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001437385097 1089636175 /nfs/dbraw/zinc/63/61/75/1089636175.db2.gz PLWQBACUHAXJLH-BBRMVZONSA-N 2 0 338.521 2.310 10 0 EEAERP O=C(NCC[N@H+](CC1CC2(CCC2)C1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001437785454 1090371196 /nfs/dbraw/zinc/37/11/96/1090371196.db2.gz MPMIJTHIAMGTJA-LJQANCHMSA-N 2 0 345.531 2.489 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](C[C@H]2CCC(F)(F)C2)C2CC2)C1 ZINC001437818565 1090412454 /nfs/dbraw/zinc/41/24/54/1090412454.db2.gz VMNKLGKJMZWVFR-CABCVRRESA-N 2 0 343.462 2.344 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001437906318 1090488014 /nfs/dbraw/zinc/48/80/14/1090488014.db2.gz KBEZSIKGHTZKAI-SJORKVTESA-N 2 0 348.491 2.056 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437980190 1090572633 /nfs/dbraw/zinc/57/26/33/1090572633.db2.gz UDJHNWCJJBLJCO-KBPBESRZSA-N 2 0 335.414 2.203 10 0 EEAERP COc1cccc(C[NH2+]C[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001438429900 1090928912 /nfs/dbraw/zinc/92/89/12/1090928912.db2.gz WHPZBNPMPUHQFQ-OXJNMPFZSA-N 2 0 345.487 2.021 10 0 EEAERP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001438446046 1090950448 /nfs/dbraw/zinc/95/04/48/1090950448.db2.gz HQXYSCZQQLGQPY-SFHVURJKSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001438464638 1090972011 /nfs/dbraw/zinc/97/20/11/1090972011.db2.gz MXVZGQOTKANWAD-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438668762 1091157692 /nfs/dbraw/zinc/15/76/92/1091157692.db2.gz VGMZOXFMFQQSJQ-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)NC(=O)CC[NH+](C)C ZINC001445435211 1091194024 /nfs/dbraw/zinc/19/40/24/1091194024.db2.gz PAYOKPNVUMNXCA-CQSZACIVSA-N 2 0 346.500 2.356 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1C ZINC001438716207 1091238070 /nfs/dbraw/zinc/23/80/70/1091238070.db2.gz SYSOUEZSMYLWPM-CRAIPNDOSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccn1)C(C)C ZINC001438795893 1091401168 /nfs/dbraw/zinc/40/11/68/1091401168.db2.gz DJZBIVSGJDDIML-ZWKOTPCHSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445746166 1091576526 /nfs/dbraw/zinc/57/65/26/1091576526.db2.gz IXSBULSBEMBDNW-KSSFIOAISA-N 2 0 333.451 2.104 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439133474 1091778958 /nfs/dbraw/zinc/77/89/58/1091778958.db2.gz ZONHGQUDXXTCGK-WBMJQRKESA-N 2 0 325.403 2.043 10 0 EEAERP Cc1nocc1CNC1(CNC(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001446197704 1092273807 /nfs/dbraw/zinc/27/38/07/1092273807.db2.gz QTHPJVDZQKROGY-MRXNPFEDSA-N 2 0 345.447 2.205 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001439498200 1092329703 /nfs/dbraw/zinc/32/97/03/1092329703.db2.gz SHZNVWTYVBODJL-SFHVURJKSA-N 2 0 333.451 2.236 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC001446229915 1092339558 /nfs/dbraw/zinc/33/95/58/1092339558.db2.gz QUSMSBKGSZMPPY-UHFFFAOYSA-N 2 0 327.831 2.169 10 0 EEAERP CCCC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001439696527 1092648472 /nfs/dbraw/zinc/64/84/72/1092648472.db2.gz PGPPEFJKJLOHBR-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CCCC1 ZINC001439818774 1092801565 /nfs/dbraw/zinc/80/15/65/1092801565.db2.gz UBFJCBPDBXLQCL-HNNXBMFYSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440121025 1093182179 /nfs/dbraw/zinc/18/21/79/1093182179.db2.gz NAHCFVZRIXPHEL-PNDVUPANSA-N 2 0 329.488 2.478 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC(C)C)[NH+](C)C ZINC001440122942 1093183330 /nfs/dbraw/zinc/18/33/30/1093183330.db2.gz LQAHKZIISLHLBA-XMTFNYHQSA-N 2 0 339.524 2.111 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)cc1 ZINC001440224874 1093305514 /nfs/dbraw/zinc/30/55/14/1093305514.db2.gz RGFAFTWSBPVTRB-FUHWJXTLSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001448381564 1093358232 /nfs/dbraw/zinc/35/82/32/1093358232.db2.gz BMHSEXRJGDAUEH-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1nc(C[NH+]2C[C@@H]3CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)co1 ZINC001448470888 1093482843 /nfs/dbraw/zinc/48/28/43/1093482843.db2.gz MIIYGFZDGXIHHM-BBWFWOEESA-N 2 0 348.491 2.040 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001448510103 1093535210 /nfs/dbraw/zinc/53/52/10/1093535210.db2.gz MFYKBSHJRYTKKA-SHTZXODSSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001448617380 1093684203 /nfs/dbraw/zinc/68/42/03/1093684203.db2.gz NVLNQHHHGSUASB-LJQANCHMSA-N 2 0 329.488 2.417 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001440481707 1093713754 /nfs/dbraw/zinc/71/37/54/1093713754.db2.gz LNMBXUHQUCXXTE-FUHWJXTLSA-N 2 0 347.503 2.488 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cnoc2C)C1 ZINC001448713134 1093784456 /nfs/dbraw/zinc/78/44/56/1093784456.db2.gz VQWOVUZAICUVGS-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448775729 1093854112 /nfs/dbraw/zinc/85/41/12/1093854112.db2.gz RWNZOBCVYLVHEX-CQSZACIVSA-N 2 0 348.491 2.139 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC2CC(NC(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC001440756531 1093999035 /nfs/dbraw/zinc/99/90/35/1093999035.db2.gz AGPNMOPSTJEGCX-UHFFFAOYSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001440869370 1094129012 /nfs/dbraw/zinc/12/90/12/1094129012.db2.gz BQSMWQNBWUNDOU-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1)C(=O)CC[NH+](C)C ZINC001440884187 1094141680 /nfs/dbraw/zinc/14/16/80/1094141680.db2.gz SGPAJZMWGQZMOM-UHFFFAOYSA-N 2 0 341.446 2.491 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1conc1C ZINC001440980013 1094241845 /nfs/dbraw/zinc/24/18/45/1094241845.db2.gz BUTLAPZYYDALND-DOTOQJQBSA-N 2 0 336.480 2.184 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2)C1 ZINC001441146555 1094485290 /nfs/dbraw/zinc/48/52/90/1094485290.db2.gz JEGUAGHZYKTSEE-MAUKXSAKSA-N 2 0 335.467 2.303 10 0 EEAERP Cc1nocc1C[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001441238313 1094622914 /nfs/dbraw/zinc/62/29/14/1094622914.db2.gz QOPSGUJIHRPLHB-CRAIPNDOSA-N 2 0 348.491 2.232 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001441292461 1094726626 /nfs/dbraw/zinc/72/66/26/1094726626.db2.gz GVFKTLAUHBLOMN-CVEARBPZSA-N 2 0 343.462 2.391 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001441296744 1094736377 /nfs/dbraw/zinc/73/63/77/1094736377.db2.gz QPFHLXLYVSBEII-UONOGXRCSA-N 2 0 348.318 2.428 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCCc3ccsc3)C[C@H]21 ZINC001441306528 1094756472 /nfs/dbraw/zinc/75/64/72/1094756472.db2.gz BGWIPFBDMMBHLJ-NNZMDNLPSA-N 2 0 349.544 2.315 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001441502502 1095185867 /nfs/dbraw/zinc/18/58/67/1095185867.db2.gz GAEVOOGWUSSOLI-KFWWJZLASA-N 2 0 333.451 2.465 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001441502512 1095186305 /nfs/dbraw/zinc/18/63/05/1095186305.db2.gz GAEVOOGWUSSOLI-SOUVJXGZSA-N 2 0 333.451 2.465 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441544687 1095269024 /nfs/dbraw/zinc/26/90/24/1095269024.db2.gz BXXMPWHOXCAJHV-ZIFCJYIRSA-N 2 0 344.503 2.247 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cncc(C)c2)C1)[NH+](C)C ZINC001441550053 1095277127 /nfs/dbraw/zinc/27/71/27/1095277127.db2.gz ACCDTEBCWRHQDM-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP O=C(NC1CCC([NH2+]C/C(Cl)=C\Cl)CC1)C12CC[NH+](CC1)C2 ZINC001441759779 1095755580 /nfs/dbraw/zinc/75/55/80/1095755580.db2.gz QPVMYWMAICNBAJ-FMIVXFBMSA-N 2 0 346.302 2.418 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001441871122 1095985152 /nfs/dbraw/zinc/98/51/52/1095985152.db2.gz LWSFYODPHADXHR-CPMARKCISA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC(F)(F)C2)[C@@H]1C ZINC001441889788 1096024817 /nfs/dbraw/zinc/02/48/17/1096024817.db2.gz BOARLFYUIDZBOY-UKRRQHHQSA-N 2 0 331.451 2.341 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC001441933344 1096122867 /nfs/dbraw/zinc/12/28/67/1096122867.db2.gz KUMLEHXCEXRDHY-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3cncs3)C2)CCC1 ZINC001442170684 1096434868 /nfs/dbraw/zinc/43/48/68/1096434868.db2.gz CYCCQRSAWKFWSP-KGLIPLIRSA-N 2 0 336.505 2.144 10 0 EEAERP CC[C@@H](C[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1)OC ZINC001442265888 1096570611 /nfs/dbraw/zinc/57/06/11/1096570611.db2.gz GXCGMCSJPKOBDH-KRWDZBQOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCc1cccs1 ZINC001442328869 1096650561 /nfs/dbraw/zinc/65/05/61/1096650561.db2.gz IABYJEIQRHOBBC-QAPCUYQASA-N 2 0 335.517 2.261 10 0 EEAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001442822323 1097211043 /nfs/dbraw/zinc/21/10/43/1097211043.db2.gz QKTYOUZLLDCKCP-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCc1cccs1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443126044 1097548087 /nfs/dbraw/zinc/54/80/87/1097548087.db2.gz XGFFJTXKATWDMD-HNNXBMFYSA-N 2 0 337.533 2.459 10 0 EEAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443241323 1097708748 /nfs/dbraw/zinc/70/87/48/1097708748.db2.gz IIJUNZPFKZZBAH-MAUKXSAKSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001443389519 1097902411 /nfs/dbraw/zinc/90/24/11/1097902411.db2.gz XOWHZDSJOGNBLD-IBYDIOTISA-N 2 0 334.291 2.228 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CN(CCCc2ccccc2)C1 ZINC001443480354 1097976852 /nfs/dbraw/zinc/97/68/52/1097976852.db2.gz 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UWVYTNXDZJRTHB-ROUUACIJSA-N 2 0 333.451 2.249 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480208305 1099814847 /nfs/dbraw/zinc/81/48/47/1099814847.db2.gz RMQAIMPWYPBDJE-CALCHBBNSA-N 2 0 345.487 2.225 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001480270729 1099973949 /nfs/dbraw/zinc/97/39/49/1099973949.db2.gz AKQNBWOGNCPMCP-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)[C@@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001444984622 1100112470 /nfs/dbraw/zinc/11/24/70/1100112470.db2.gz BAALAVGXAOAAQH-HRCADAONSA-N 2 0 336.480 2.165 10 0 EEAERP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cnc(C)s2)CC1)[NH+](C)C ZINC001480410352 1100227747 /nfs/dbraw/zinc/22/77/47/1100227747.db2.gz GITZVYIYPQVPLE-XUJLQICISA-N 2 0 338.521 2.309 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480536338 1100365286 /nfs/dbraw/zinc/36/52/86/1100365286.db2.gz FNHXKYTVEZITPD-CVEARBPZSA-N 2 0 340.471 2.171 10 0 EEAERP 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330.476 2.491 10 0 EEAERP Cc1ccccc1OCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494794234 1104379046 /nfs/dbraw/zinc/37/90/46/1104379046.db2.gz ICKDJSJAYFHOCU-GOSISDBHSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]Cc2cccnc2C)C1 ZINC001495040569 1104681301 /nfs/dbraw/zinc/68/13/01/1104681301.db2.gz FFKWFHNSCAKQRM-RTBURBONSA-N 2 0 346.519 2.496 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc(C)c(C)s1 ZINC001497994249 1106753173 /nfs/dbraw/zinc/75/31/73/1106753173.db2.gz YSSRITDVZVSEDS-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC001480701996 1106916689 /nfs/dbraw/zinc/91/66/89/1106916689.db2.gz ONQFGNBFAAEAFK-SJORKVTESA-N 2 0 349.523 2.107 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001454257735 1106978726 /nfs/dbraw/zinc/97/87/26/1106978726.db2.gz ADXCQDMWBMYLEA-DAYGRLMNSA-N 2 0 333.451 2.041 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001498152473 1106992871 /nfs/dbraw/zinc/99/28/71/1106992871.db2.gz BBMOGCZMTJGSEI-LRDDRELGSA-N 2 0 339.430 2.388 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190852 1107054218 /nfs/dbraw/zinc/05/42/18/1107054218.db2.gz UTDYSZWHDKVZML-WCQYABFASA-N 2 0 327.831 2.025 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001498196942 1107064740 /nfs/dbraw/zinc/06/47/40/1107064740.db2.gz COYCAWBNWIHXPD-MAUKXSAKSA-N 2 0 335.467 2.337 10 0 EEAERP Cc1cnc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001480829673 1107216926 /nfs/dbraw/zinc/21/69/26/1107216926.db2.gz CWNIEEWAWJHKEG-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n1 ZINC001498396204 1107450510 /nfs/dbraw/zinc/45/05/10/1107450510.db2.gz PHPWORDGORYHCV-MRXNPFEDSA-N 2 0 346.519 2.483 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CN(C)Cc1cc(-c2ccco2)on1 ZINC001498458169 1107568319 /nfs/dbraw/zinc/56/83/19/1107568319.db2.gz WUGGRGAMOJMDNV-CQSZACIVSA-N 2 0 348.447 2.211 10 0 EEAERP CCc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001493161881 1107617094 /nfs/dbraw/zinc/61/70/94/1107617094.db2.gz WNQGGCJYTKSWTQ-IBGZPJMESA-N 2 0 329.488 2.425 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493266321 1107812681 /nfs/dbraw/zinc/81/26/81/1107812681.db2.gz DWUSPIDMYUJNNP-WMZOPIPTSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCc2ccccc2)C2CC2)CC1 ZINC001498815872 1108156733 /nfs/dbraw/zinc/15/67/33/1108156733.db2.gz DOFIPYDWOQSGMT-HXUWFJFHSA-N 2 0 343.515 2.445 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC001493444912 1108168147 /nfs/dbraw/zinc/16/81/47/1108168147.db2.gz PJBLAJPAEFMUTD-ZDUSSCGKSA-N 2 0 348.318 2.247 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC001498894984 1108291691 /nfs/dbraw/zinc/29/16/91/1108291691.db2.gz YLGVSZNPILGRNB-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001498987512 1108418945 /nfs/dbraw/zinc/41/89/45/1108418945.db2.gz XSMDUFMZOJMQON-IRXDYDNUSA-N 2 0 339.499 2.437 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CC2CCC3(CC3)CC2)C1 ZINC001499066685 1108531573 /nfs/dbraw/zinc/53/15/73/1108531573.db2.gz NJJLWEMTIOMUGN-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP CCCC[N@H+](C)CCn1c(CC)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001460492690 1110295214 /nfs/dbraw/zinc/29/52/14/1110295214.db2.gz GSNAJHBLELICDB-IAGOWNOFSA-N 2 0 348.539 2.245 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@H]([N@H+](C)CC)C1)c1ccco1 ZINC001470135362 1110502066 /nfs/dbraw/zinc/50/20/66/1110502066.db2.gz ZDJZLRXADBPFBI-JYJNAYRXSA-N 2 0 336.480 2.444 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001472114773 1110543730 /nfs/dbraw/zinc/54/37/30/1110543730.db2.gz GEDZTGOVROORJD-PKOBYXMFSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CN1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001473830520 1110582024 /nfs/dbraw/zinc/58/20/24/1110582024.db2.gz ZOIWLYQDWJPCJZ-HXUWFJFHSA-N 2 0 331.504 2.305 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(F)(F)F)C2)CC1 ZINC001479471259 1110698973 /nfs/dbraw/zinc/69/89/73/1110698973.db2.gz MKVPRZUBTCMUAD-QWHCGFSZSA-N 2 0 335.414 2.155 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001499128247 1112138894 /nfs/dbraw/zinc/13/88/94/1112138894.db2.gz UZOZXFFUQFKSMO-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001499896751 1112532296 /nfs/dbraw/zinc/53/22/96/1112532296.db2.gz OGHFNAWPJCNLMP-DOTOQJQBSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CCCC2)c1 ZINC001500127147 1112629861 /nfs/dbraw/zinc/62/98/61/1112629861.db2.gz RSMHEODJEANHTJ-RTBURBONSA-N 2 0 344.503 2.106 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](Cc2cncs2)C1 ZINC001500543109 1112933285 /nfs/dbraw/zinc/93/32/85/1112933285.db2.gz RPHWIXOVWHBQSO-KRWDZBQOSA-N 2 0 338.521 2.203 10 0 EEAERP CC(C)=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001500619821 1112982474 /nfs/dbraw/zinc/98/24/74/1112982474.db2.gz BRPKELVRAIPYGN-OAHLLOKOSA-N 2 0 331.451 2.366 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001501133136 1113210338 /nfs/dbraw/zinc/21/03/38/1113210338.db2.gz SUMVKJRCPVBRSB-DOTOQJQBSA-N 2 0 335.467 2.352 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501396018 1113341830 /nfs/dbraw/zinc/34/18/30/1113341830.db2.gz SBANTQYVAZPOQF-ZWKOTPCHSA-N 2 0 348.491 2.144 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001501694138 1113438321 /nfs/dbraw/zinc/43/83/21/1113438321.db2.gz ISWNDCCOUAHCFK-BRWVUGGUSA-N 2 0 327.488 2.483 10 0 EEAERP CCOCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001501968303 1113541257 /nfs/dbraw/zinc/54/12/57/1113541257.db2.gz LPCZEKDZKIPWMK-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cc(C4CC4)no3)CCC2)C1 ZINC001502017707 1113560502 /nfs/dbraw/zinc/56/05/02/1113560502.db2.gz RZZWJPLECGKRML-CQSZACIVSA-N 2 0 346.475 2.022 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)on1 ZINC001505605992 1114081371 /nfs/dbraw/zinc/08/13/71/1114081371.db2.gz MFABDBQTOMSDRT-HUUCEWRRSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@@H]([NH2+]Cc1cncs1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001505756824 1114172089 /nfs/dbraw/zinc/17/20/89/1114172089.db2.gz IGIHVKPQCBUMFG-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC001506830069 1114899727 /nfs/dbraw/zinc/89/97/27/1114899727.db2.gz NMBMDAFKGYPASC-NNZMDNLPSA-N 2 0 347.528 2.418 10 0 EEAERP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)cs1 ZINC001506830661 1114900229 /nfs/dbraw/zinc/90/02/29/1114900229.db2.gz PTKKWDXAIYKOPL-OSYLJGHBSA-N 2 0 335.517 2.191 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001506860183 1114926458 /nfs/dbraw/zinc/92/64/58/1114926458.db2.gz XVWKDOVQXAKRGD-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CN(Cc1c(F)cccc1F)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506959711 1115008122 /nfs/dbraw/zinc/00/81/22/1115008122.db2.gz APIPFYYLVWDOTE-UHFFFAOYSA-N 2 0 339.430 2.339 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001507295631 1115178910 /nfs/dbraw/zinc/17/89/10/1115178910.db2.gz DEGAVRIZSUBSDQ-ZWKOTPCHSA-N 2 0 347.503 2.293 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cncc(F)c3)C2)CCC1 ZINC001507398320 1115250898 /nfs/dbraw/zinc/25/08/98/1115250898.db2.gz JAFKRQQFYYUDBT-YOEHRIQHSA-N 2 0 348.466 2.080 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cnccc2C)C(C)(C)C1 ZINC001507449975 1115276232 /nfs/dbraw/zinc/27/62/32/1115276232.db2.gz AGKATSRBYRZJQF-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508034291 1115396573 /nfs/dbraw/zinc/39/65/73/1115396573.db2.gz WDCGJCGXTVMWTB-HOTGVXAUSA-N 2 0 341.540 2.264 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C(Cl)=C\Cl)C1 ZINC001508141716 1115426719 /nfs/dbraw/zinc/42/67/19/1115426719.db2.gz SAKXBIFHRMZITA-PFXZOUERSA-N 2 0 334.291 2.226 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001568059770 1124264469 /nfs/dbraw/zinc/26/44/69/1124264469.db2.gz ALVVXZWNYXYPSB-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2ncccc2C)CC1 ZINC001568098937 1124301623 /nfs/dbraw/zinc/30/16/23/1124301623.db2.gz RXVJMSSQPMMGAI-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1csc(C)n1 ZINC001568638871 1124652445 /nfs/dbraw/zinc/65/24/45/1124652445.db2.gz HKKNZNLYBOMJOV-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001568639993 1124653403 /nfs/dbraw/zinc/65/34/03/1124653403.db2.gz DOLONESIFGFSST-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568643098 1124654877 /nfs/dbraw/zinc/65/48/77/1124654877.db2.gz AQVJWXIKJHRVER-BBRMVZONSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001568678822 1124690133 /nfs/dbraw/zinc/69/01/33/1124690133.db2.gz ZBOGZIZKHTYRIX-CYBMUJFWSA-N 2 0 340.537 2.414 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)co1 ZINC001568694876 1124709301 /nfs/dbraw/zinc/70/93/01/1124709301.db2.gz PUUGJAZECQMUSG-AWEZNQCLSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001568699468 1124713479 /nfs/dbraw/zinc/71/34/79/1124713479.db2.gz RDHBGSBJTCCYMS-QGZVFWFLSA-N 2 0 329.488 2.118 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001569135385 1125119619 /nfs/dbraw/zinc/11/96/19/1125119619.db2.gz WOUSMLLSSCNYNY-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC(F)(F)C1 ZINC001569208325 1125165062 /nfs/dbraw/zinc/16/50/62/1125165062.db2.gz CCEGUFHLWVKPLE-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001569257625 1125199361 /nfs/dbraw/zinc/19/93/61/1125199361.db2.gz JWZOGCKFRNQWJO-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(N[C@@H](C[NH2+]C/C=C/c1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001569326782 1125231419 /nfs/dbraw/zinc/23/14/19/1125231419.db2.gz BERAMTWPXGRWTF-QTWIXLPOSA-N 2 0 339.483 2.280 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001569329190 1125232140 /nfs/dbraw/zinc/23/21/40/1125232140.db2.gz HMQGMBHXUIHWRC-HKUYNNGSSA-N 2 0 347.478 2.194 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000097667985 219046038 /nfs/dbraw/zinc/04/60/38/219046038.db2.gz BOULVVXUZYRUSP-IAGOWNOFSA-N 2 0 347.503 2.477 10 0 EEAERP COc1cc2c(cc1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1)O[C@@H](C)C2 ZINC000069347318 215380987 /nfs/dbraw/zinc/38/09/87/215380987.db2.gz JBEFSLHPOKZKMT-CABCVRRESA-N 2 0 348.487 2.201 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2c(Cl)nc3sccn23)CC1 ZINC000069370684 215390997 /nfs/dbraw/zinc/39/09/97/215390997.db2.gz AQXZMSBIGOPCDA-LLVKDONJSA-N 2 0 342.896 2.232 10 0 EEAERP c1ccc([C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422733912 240199193 /nfs/dbraw/zinc/19/91/93/240199193.db2.gz RYVGHURSHPPONB-XUVXKRRUSA-N 2 0 329.488 2.180 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000422792665 240229033 /nfs/dbraw/zinc/22/90/33/240229033.db2.gz RILOMWJEXFNHOI-VAMGGRTRSA-N 3 0 348.579 2.447 10 0 EEAERP CC[NH+]1CCN(c2ccccc2N[C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422922878 240292915 /nfs/dbraw/zinc/29/29/15/240292915.db2.gz RBXYOOZZIHEZJX-DLBZAZTESA-N 2 0 332.492 2.007 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(Cl)cn2)CC[NH2+]CC1 ZINC000423013175 240330428 /nfs/dbraw/zinc/33/04/28/240330428.db2.gz FJDKPGGPRGMOQS-GFCCVEGCSA-N 2 0 325.840 2.146 10 0 EEAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000182053126 283889139 /nfs/dbraw/zinc/88/91/39/283889139.db2.gz GOSRCQWORNZXOO-JKSUJKDBSA-N 2 0 331.460 2.218 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751576 242219033 /nfs/dbraw/zinc/21/90/33/242219033.db2.gz LJPHJYNUOCEGBE-APWZRJJASA-N 2 0 343.475 2.350 10 0 EEAERP CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000459310642 245074697 /nfs/dbraw/zinc/07/46/97/245074697.db2.gz VYQXQGKTNRYZGT-LJDZDVQXSA-N 2 0 348.535 2.373 10 0 EEAERP C[C@H](CCCc1cccnc1)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000459636350 245194131 /nfs/dbraw/zinc/19/41/31/245194131.db2.gz HCMKUIUIJSPLEF-MRXNPFEDSA-N 2 0 344.503 2.125 10 0 EEAERP COc1c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)nn1C ZINC000092813264 218169592 /nfs/dbraw/zinc/16/95/92/218169592.db2.gz BWLBEDAULQCYBR-OAHLLOKOSA-N 2 0 329.448 2.375 10 0 EEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000190926472 152230424 /nfs/dbraw/zinc/23/04/24/152230424.db2.gz YTXSDOJFHBABLI-TVRKMHQQSA-N 2 0 349.475 2.140 10 0 EEAERP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc2C1 ZINC000354079430 153093538 /nfs/dbraw/zinc/09/35/38/153093538.db2.gz HGTXMMQDLDYHFR-IBGZPJMESA-N 2 0 343.515 2.466 10 0 EEAERP COc1cc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000246710835 160291189 /nfs/dbraw/zinc/29/11/89/160291189.db2.gz FGGGZZPEIJBTQZ-RDTXWAMCSA-N 2 0 347.459 2.058 10 0 EEAERP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)NCC1CC1 ZINC000248391042 160343329 /nfs/dbraw/zinc/34/33/29/160343329.db2.gz BVVQKDBYCMVYCI-VAMGGRTRSA-N 2 0 341.499 2.403 10 0 EEAERP CC[NH+]1CCC([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC1 ZINC000341815192 161015701 /nfs/dbraw/zinc/01/57/01/161015701.db2.gz DXQDKTQRRPTMSQ-UHFFFAOYSA-N 2 0 325.456 2.471 10 0 EEAERP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346710658 161394760 /nfs/dbraw/zinc/39/47/60/161394760.db2.gz JXSQGNDEWMDAMU-AOIWGVFYSA-N 2 0 344.503 2.385 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000352032244 162037907 /nfs/dbraw/zinc/03/79/07/162037907.db2.gz KEVJDXRTIAYNPG-UHFFFAOYSA-N 2 0 326.529 2.482 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)NC1CC([NH+]2CCCCC2)C1 ZINC000355227529 163116287 /nfs/dbraw/zinc/11/62/87/163116287.db2.gz QGFRUGDLZHVALL-UHFFFAOYSA-N 2 0 334.508 2.319 10 0 EEAERP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367914268 166019801 /nfs/dbraw/zinc/01/98/01/166019801.db2.gz BIIFZDSTHQLSIK-HZPDHXFCSA-N 2 0 334.508 2.129 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359361104 164119896 /nfs/dbraw/zinc/11/98/96/164119896.db2.gz ABFRFHXWIUEWIQ-SFHVURJKSA-N 2 0 342.487 2.318 10 0 EEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000360895288 164398268 /nfs/dbraw/zinc/39/82/68/164398268.db2.gz HTMKQMCEJVUMPD-IKGGRYGDSA-N 2 0 326.529 2.479 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375665453 167178056 /nfs/dbraw/zinc/17/80/56/167178056.db2.gz QIWWFGPTMOBEAE-ZWKOTPCHSA-N 2 0 345.418 2.418 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+]2CCC1CC2 ZINC000376787589 167393182 /nfs/dbraw/zinc/39/31/82/167393182.db2.gz MCXYJSKCZYSYMT-UHFFFAOYSA-N 2 0 342.487 2.272 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCC2([NH+](C)C)CCC2)ccc1F ZINC000275442074 269116022 /nfs/dbraw/zinc/11/60/22/269116022.db2.gz KKNCLKORPGKJNT-UHFFFAOYSA-N 2 0 336.455 2.171 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288233135 275037433 /nfs/dbraw/zinc/03/74/33/275037433.db2.gz SRBOGOPDTNIZIY-WDSOQIARSA-N 2 0 342.487 2.334 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000288823470 275087183 /nfs/dbraw/zinc/08/71/83/275087183.db2.gz GRTJOSCJCVCWHC-UXDRXVOSSA-N 2 0 344.503 2.431 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000291721757 275333650 /nfs/dbraw/zinc/33/36/50/275333650.db2.gz RBAHLIQYFBFVFA-LPHOPBHVSA-N 2 0 329.488 2.355 10 0 EEAERP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)C(F)F ZINC000423153484 280964514 /nfs/dbraw/zinc/96/45/14/280964514.db2.gz GSNOUBIZSGOYPE-YXPYIKCWSA-N 2 0 326.387 2.237 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000247320095 288308825 /nfs/dbraw/zinc/30/88/25/288308825.db2.gz OORVJDRIRNIRFW-QLFBSQMISA-N 2 0 336.505 2.229 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000247194884 289186966 /nfs/dbraw/zinc/18/69/66/289186966.db2.gz LLJRMXVCOPYFGU-RTBURBONSA-N 2 0 346.519 2.143 10 0 EEAERP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000353400588 290216566 /nfs/dbraw/zinc/21/65/66/290216566.db2.gz FWEGIJLVTXWMSL-QYZOEREBSA-N 2 0 335.536 2.484 10 0 EEAERP [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000262924545 295319233 /nfs/dbraw/zinc/31/92/33/295319233.db2.gz LKBWJSJFCWMWMK-BZUAXINKSA-N 2 0 333.501 2.346 10 0 EEAERP C[NH+](C)C1(CNC(=O)NCCC[NH2+]Cc2cccnc2)CCCCC1 ZINC000416811813 313322404 /nfs/dbraw/zinc/32/24/04/313322404.db2.gz CVGOBYXPZHCEOL-UHFFFAOYSA-N 2 0 347.507 2.125 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000417017775 313396692 /nfs/dbraw/zinc/39/66/92/313396692.db2.gz BOPCEEMOFAZULH-HDICACEKSA-N 2 0 336.524 2.140 10 0 EEAERP CCC1(CNC(=O)N2CC[C@H]([NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000417928643 313653160 /nfs/dbraw/zinc/65/31/60/313653160.db2.gz RILDUVJIIPAYPO-SFHVURJKSA-N 2 0 344.503 2.421 10 0 EEAERP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418452304 313817550 /nfs/dbraw/zinc/81/75/50/313817550.db2.gz NSNVBZGOUUUTAX-GOSISDBHSA-N 2 0 326.444 2.247 10 0 EEAERP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cs1 ZINC000449206752 315432623 /nfs/dbraw/zinc/43/26/23/315432623.db2.gz BFGWODIVHVFJEX-SFHVURJKSA-N 2 0 345.512 2.435 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000527809962 317268200 /nfs/dbraw/zinc/26/82/00/317268200.db2.gz UVAOWWFXZMCKMW-LJQANCHMSA-N 2 0 347.422 2.492 10 0 EEAERP COC[C@@H](C)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000557668870 318690487 /nfs/dbraw/zinc/69/04/87/318690487.db2.gz IXSMPDUFFWZPQY-KRWDZBQOSA-N 2 0 335.492 2.032 10 0 EEAERP CN(C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563727634 319040590 /nfs/dbraw/zinc/04/05/90/319040590.db2.gz WAFFXRWGAXNCHS-PKOBYXMFSA-N 2 0 327.472 2.204 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566193966 319258587 /nfs/dbraw/zinc/25/85/87/319258587.db2.gz PSMLWSVPTGXBKX-YJBOKZPZSA-N 2 0 332.492 2.375 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000566352511 319277911 /nfs/dbraw/zinc/27/79/11/319277911.db2.gz PHNINHUGCRTARN-MSOLQXFVSA-N 2 0 330.476 2.202 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000567625052 319398872 /nfs/dbraw/zinc/39/88/72/319398872.db2.gz CPFFNQGMPCRBGN-CQSZACIVSA-N 2 0 339.430 2.197 10 0 EEAERP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000573096298 319904445 /nfs/dbraw/zinc/90/44/45/319904445.db2.gz VHKSJFFABPOPSM-MRXNPFEDSA-N 2 0 347.507 2.328 10 0 EEAERP CCC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1CCOC ZINC000580315292 324038617 /nfs/dbraw/zinc/03/86/17/324038617.db2.gz BHGHEISAPIDQLC-KZNAEPCWSA-N 2 0 339.524 2.243 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000580770745 324125921 /nfs/dbraw/zinc/12/59/21/324125921.db2.gz JSZUMEQNAURMDQ-UHFFFAOYSA-N 2 0 345.487 2.054 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+](C)C)nc2)[NH+](C)C)cc1 ZINC000339257465 465172040 /nfs/dbraw/zinc/17/20/40/465172040.db2.gz SGLUGOYDTSNGIN-LJQANCHMSA-N 2 0 340.471 2.484 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129033169 462685604 /nfs/dbraw/zinc/68/56/04/462685604.db2.gz CLVJHNKTMWZTDT-NUJGCVRESA-N 2 0 336.524 2.375 10 0 EEAERP COc1ccccc1C[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000155116231 462849476 /nfs/dbraw/zinc/84/94/76/462849476.db2.gz QMCJJMPCFCCYKJ-HKUYNNGSSA-N 2 0 333.520 2.488 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1[NH2+]CCc2ccccc21 ZINC000579211381 468325621 /nfs/dbraw/zinc/32/56/21/468325621.db2.gz HJKAHNSASVHVBU-GOSISDBHSA-N 2 0 325.387 2.297 10 0 EEAERP CC[NH+]1CCC(CNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000067233108 462981380 /nfs/dbraw/zinc/98/13/80/462981380.db2.gz UTMVHKQYHUHDJM-UHFFFAOYSA-N 2 0 333.476 2.089 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCO[C@H](C)C2)CC1 ZINC000568472973 468340212 /nfs/dbraw/zinc/34/02/12/468340212.db2.gz FIFVLNQNKWKJFJ-RBUKOAKNSA-N 2 0 345.531 2.392 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccco2)N(C)C)CC1 ZINC000157664690 463154376 /nfs/dbraw/zinc/15/43/76/463154376.db2.gz FEWLWSJACUWZCC-MRXNPFEDSA-N 2 0 336.480 2.304 10 0 EEAERP C[NH+]1CCN([C@@H]2CCCCN(Cc3cnc(Cl)s3)C2)CC1 ZINC000158989578 463263006 /nfs/dbraw/zinc/26/30/06/463263006.db2.gz RCONEEJNZKOLGM-CYBMUJFWSA-N 2 0 328.913 2.398 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000069529260 463268668 /nfs/dbraw/zinc/26/86/68/463268668.db2.gz MZBCDUAOJVIUGY-UHFFFAOYSA-N 2 0 327.266 2.243 10 0 EEAERP C[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)CC1CC[NH+](CCO)CC1 ZINC000069742474 463317068 /nfs/dbraw/zinc/31/70/68/463317068.db2.gz OMHARCQZYRTSGO-UHFFFAOYSA-N 2 0 346.450 2.148 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000590859800 468358630 /nfs/dbraw/zinc/35/86/30/468358630.db2.gz RDZYENVAAIUGET-QZTJIDSGSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCCCC1 ZINC000073788911 463656278 /nfs/dbraw/zinc/65/62/78/463656278.db2.gz MOGMNZTZYLNTMT-CSNJMZFVSA-N 2 0 336.524 2.423 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000073793466 463656922 /nfs/dbraw/zinc/65/69/22/463656922.db2.gz UZLGBOCXDYAXIX-LJQANCHMSA-N 2 0 346.519 2.333 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000268883907 463793945 /nfs/dbraw/zinc/79/39/45/463793945.db2.gz YNQMAQDLWOWRNI-GIVPXCGWSA-N 2 0 345.531 2.333 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000269008459 463844242 /nfs/dbraw/zinc/84/42/42/463844242.db2.gz NAQUUZAHMMRKKB-CQSZACIVSA-N 2 0 327.494 2.441 10 0 EEAERP C[C@@]1(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CC[NH2+]C1 ZINC000262055298 463936882 /nfs/dbraw/zinc/93/68/82/463936882.db2.gz QPGBMVLHPUJKRO-CXAGYDPISA-N 2 0 336.867 2.385 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000278856709 464000080 /nfs/dbraw/zinc/00/00/80/464000080.db2.gz XKSXAKYZBVTSIX-GOSISDBHSA-N 2 0 329.419 2.386 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000568812474 468389038 /nfs/dbraw/zinc/38/90/38/468389038.db2.gz QEJRFIJUMUJNSP-RYQLBKOJSA-N 2 0 332.492 2.460 10 0 EEAERP CS[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H]1[NH+](C)C ZINC000270499585 464259071 /nfs/dbraw/zinc/25/90/71/464259071.db2.gz PLXCGZVCQHOUAR-ZWKOTPCHSA-N 2 0 347.528 2.400 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000237111332 464267217 /nfs/dbraw/zinc/26/72/17/464267217.db2.gz BHXSTVLMXKAAOT-SNRMKQJTSA-N 2 0 342.487 2.298 10 0 EEAERP C[C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000175385863 464536880 /nfs/dbraw/zinc/53/68/80/464536880.db2.gz AJEWQYPNKUUWMF-AEFFLSMTSA-N 2 0 332.492 2.290 10 0 EEAERP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1CCO ZINC000190244500 464612407 /nfs/dbraw/zinc/61/24/07/464612407.db2.gz AVEABWCNMTUJJG-SFHVURJKSA-N 2 0 333.520 2.143 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246968944 464636921 /nfs/dbraw/zinc/63/69/21/464636921.db2.gz JBSFFVWYFGIALB-CEXWTWQISA-N 2 0 346.519 2.331 10 0 EEAERP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c(OCC[NH+](C)C)c1 ZINC000265761872 464676605 /nfs/dbraw/zinc/67/66/05/464676605.db2.gz ZQLLKVMBNUZFRV-HNNXBMFYSA-N 2 0 334.464 2.151 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[N@@H+]1C ZINC000266673906 464784712 /nfs/dbraw/zinc/78/47/12/464784712.db2.gz OITGUKZQQHRHEC-VNQPRFMTSA-N 2 0 338.521 2.475 10 0 EEAERP Cc1ccn2cc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)nc2c1 ZINC000266755763 464810204 /nfs/dbraw/zinc/81/02/04/464810204.db2.gz OJFKLZFIIBMJNZ-GDBMZVCRSA-N 2 0 329.448 2.267 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000339655150 465421866 /nfs/dbraw/zinc/42/18/66/465421866.db2.gz KBYFUAYFEPRKSC-KURKYZTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000371137705 465613702 /nfs/dbraw/zinc/61/37/02/465613702.db2.gz BZMRWDHHNXRTNK-YJBOKZPZSA-N 2 0 342.487 2.205 10 0 EEAERP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000569121769 468444932 /nfs/dbraw/zinc/44/49/32/468444932.db2.gz AYDRTDNYUYCOLT-WFEDQXDTSA-N 2 0 346.519 2.432 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361632618 466164050 /nfs/dbraw/zinc/16/40/50/466164050.db2.gz TXSFRUIQPKQIQL-HXUWFJFHSA-N 2 0 347.478 2.390 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc(C2CC2)nc1C ZINC000353806344 466164824 /nfs/dbraw/zinc/16/48/24/466164824.db2.gz HVZMRHCGHABMPL-MRXNPFEDSA-N 2 0 348.491 2.349 10 0 EEAERP Cc1ccnc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000367245441 466214612 /nfs/dbraw/zinc/21/46/12/466214612.db2.gz XMABYSASUMPLBO-UHFFFAOYSA-N 2 0 345.535 2.381 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000367473327 466363558 /nfs/dbraw/zinc/36/35/58/466363558.db2.gz DMYSWUHKHVTASV-UHFFFAOYSA-N 2 0 330.476 2.128 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000361967237 466446014 /nfs/dbraw/zinc/44/60/14/466446014.db2.gz JEILURRRXJVMAL-SXLOBPIMSA-N 2 0 334.504 2.489 10 0 EEAERP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372898221 466632400 /nfs/dbraw/zinc/63/24/00/466632400.db2.gz TXTVTWDZCOBQEN-KDURUIRLSA-N 2 0 327.472 2.252 10 0 EEAERP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423102271 466691585 /nfs/dbraw/zinc/69/15/85/466691585.db2.gz DTGZCCVDUQGXRO-SWLSCSKDSA-N 2 0 338.883 2.393 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000423106599 466691985 /nfs/dbraw/zinc/69/19/85/466691985.db2.gz JUFIIGUZCGZGPE-DOMZBBRYSA-N 2 0 338.883 2.380 10 0 EEAERP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423290498 466710453 /nfs/dbraw/zinc/71/04/53/466710453.db2.gz DHBHVBLJHOEZOD-UONOGXRCSA-N 2 0 347.484 2.465 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CC23CCSCC3)CC[NH2+]CC1 ZINC000423543762 466771008 /nfs/dbraw/zinc/77/10/08/466771008.db2.gz HQNRKVOAROBUFJ-CABCVRRESA-N 2 0 340.533 2.431 10 0 EEAERP CCCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000417202395 466801126 /nfs/dbraw/zinc/80/11/26/466801126.db2.gz XOEXNNAUASWESR-SFHVURJKSA-N 2 0 346.519 2.333 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373501358 466825186 /nfs/dbraw/zinc/82/51/86/466825186.db2.gz IMSYAROOLHKGJP-UHFFFAOYSA-N 2 0 348.491 2.370 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417664579 466902603 /nfs/dbraw/zinc/90/26/03/466902603.db2.gz WXHXUQJELSBLEE-GUYCJALGSA-N 2 0 336.455 2.299 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000417852695 466957040 /nfs/dbraw/zinc/95/70/40/466957040.db2.gz HHWAMHZMHNFQLG-QIIPPGSGSA-N 2 0 330.476 2.173 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417885455 466970182 /nfs/dbraw/zinc/97/01/82/466970182.db2.gz YFINZIUCOWCQBZ-AYBZRNKSSA-N 2 0 342.487 2.185 10 0 EEAERP CCC1(CNC(=O)N[C@H](C)C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417915635 466983247 /nfs/dbraw/zinc/98/32/47/466983247.db2.gz CJSHLWUMPMWGBN-MRXNPFEDSA-N 2 0 332.492 2.325 10 0 EEAERP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418062411 467036704 /nfs/dbraw/zinc/03/67/04/467036704.db2.gz YWJRYPUHIMKEBL-DFNIBXOVSA-N 2 0 344.503 2.215 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000418115425 467050010 /nfs/dbraw/zinc/05/00/10/467050010.db2.gz OIRMFGZVWZTGFT-IBGZPJMESA-N 2 0 344.503 2.216 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418550576 467127610 /nfs/dbraw/zinc/12/76/10/467127610.db2.gz LEJXUVGPGZDLCK-QFBILLFUSA-N 2 0 344.503 2.290 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418624388 467137272 /nfs/dbraw/zinc/13/72/72/467137272.db2.gz YVNICZLPAACWPI-YTQUADARSA-N 2 0 344.503 2.290 10 0 EEAERP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418703262 467148139 /nfs/dbraw/zinc/14/81/39/467148139.db2.gz HOXYFTAKQPNMBT-LZLYRXPVSA-N 2 0 332.492 2.418 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418751208 467155190 /nfs/dbraw/zinc/15/51/90/467155190.db2.gz QIRZDPRGRCYDJH-HNNXBMFYSA-N 2 0 346.466 2.137 10 0 EEAERP CN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418764630 467156768 /nfs/dbraw/zinc/15/67/68/467156768.db2.gz KZIIUQPQMCKRCV-KURKYZTESA-N 2 0 330.476 2.030 10 0 EEAERP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC[NH2+]1 ZINC000414748616 467434471 /nfs/dbraw/zinc/43/44/71/467434471.db2.gz OPJVYVNCMMSQMR-KGLIPLIRSA-N 2 0 337.414 2.111 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415063749 467479306 /nfs/dbraw/zinc/47/93/06/467479306.db2.gz ATEVPQDSZAARRY-YOEHRIQHSA-N 2 0 348.516 2.231 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000415181617 467512209 /nfs/dbraw/zinc/51/22/09/467512209.db2.gz LYLPOTVIRQECBO-YOEHRIQHSA-N 2 0 334.464 2.361 10 0 EEAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449393254 467636911 /nfs/dbraw/zinc/63/69/11/467636911.db2.gz LWHWJUCRGLLLBB-YZGWKJHDSA-N 2 0 337.552 2.466 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449513686 467653865 /nfs/dbraw/zinc/65/38/65/467653865.db2.gz WLSLHZXFAKERJP-RTBURBONSA-N 2 0 326.444 2.462 10 0 EEAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000529307903 467843276 /nfs/dbraw/zinc/84/32/76/467843276.db2.gz FLNLSULQOFWEKW-QGZVFWFLSA-N 2 0 336.455 2.027 10 0 EEAERP Cc1cncn1CC(=O)Nc1ccc2c(c1)nc(C)n2[C@@H](C)CO ZINC000529468583 467867994 /nfs/dbraw/zinc/86/79/94/467867994.db2.gz OCJUYXMOYBSCKN-LBPRGKRZSA-N 2 0 327.388 2.042 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000514720175 467950844 /nfs/dbraw/zinc/95/08/44/467950844.db2.gz MZHWDWCBUJLSSP-IJEWVQPXSA-N 2 0 345.491 2.282 10 0 EEAERP COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248877 467968468 /nfs/dbraw/zinc/96/84/68/467968468.db2.gz ROBANQNDVKKCCN-KRWDZBQOSA-N 2 0 334.460 2.294 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000530880833 468015152 /nfs/dbraw/zinc/01/51/52/468015152.db2.gz LLVGFTOVQOISRQ-UHFFFAOYSA-N 2 0 346.519 2.242 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)[NH+]2CCCC2)CC1 ZINC000531226053 468037720 /nfs/dbraw/zinc/03/77/20/468037720.db2.gz PTLQBPQJADIHSF-MRXNPFEDSA-N 2 0 330.476 2.207 10 0 EEAERP COC(=O)c1ccc(CN2CCC(Nc3ccccn3)CC2)nc1 ZINC000569809234 468546917 /nfs/dbraw/zinc/54/69/17/468546917.db2.gz QEHMOVMDQIEZAN-UHFFFAOYSA-N 2 0 326.400 2.340 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000557635324 468642420 /nfs/dbraw/zinc/64/24/20/468642420.db2.gz YOWQEGIIJIHFEF-AOIWGVFYSA-N 2 0 329.488 2.498 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000595052432 468749023 /nfs/dbraw/zinc/74/90/23/468749023.db2.gz WTHRRLKZJRQJPJ-CVEARBPZSA-N 2 0 328.497 2.445 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)COC2CCC([NH3+])CC2)c1 ZINC000572956958 469028342 /nfs/dbraw/zinc/02/83/42/469028342.db2.gz UJEWFAGCIRZHQL-UHFFFAOYSA-N 2 0 347.503 2.431 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000562744114 469058986 /nfs/dbraw/zinc/05/89/86/469058986.db2.gz LCLSQRKKUTWOAI-LJQANCHMSA-N 2 0 346.475 2.234 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000595896170 469068259 /nfs/dbraw/zinc/06/82/59/469068259.db2.gz HRELFWWAQPYOCH-ZNMIVQPWSA-N 2 0 338.473 2.396 10 0 EEAERP [NH3+]C1(CNC(=O)C2(CF)CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000573684724 469185647 /nfs/dbraw/zinc/18/56/47/469185647.db2.gz ALJYZAYTBKBFIB-UHFFFAOYSA-N 2 0 333.451 2.236 10 0 EEAERP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000622330122 469428086 /nfs/dbraw/zinc/42/80/86/469428086.db2.gz KZMLUPKSGUGCDJ-UHFFFAOYSA-N 2 0 332.492 2.336 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629384992 469527649 /nfs/dbraw/zinc/52/76/49/469527649.db2.gz KXKPJUFMPIBVBL-LJQANCHMSA-N 2 0 340.471 2.296 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533227 469574335 /nfs/dbraw/zinc/57/43/35/469574335.db2.gz OJUZEENSUXBXIE-KGLIPLIRSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629550649 469575465 /nfs/dbraw/zinc/57/54/65/469575465.db2.gz ORJIOXWPSBKAGW-YZGWKJHDSA-N 2 0 346.519 2.183 10 0 EEAERP C[C@H]1CC[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660593 469601006 /nfs/dbraw/zinc/60/10/06/469601006.db2.gz WFMCSBBQPTXOHC-WMZOPIPTSA-N 2 0 330.520 2.447 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000607236565 469677461 /nfs/dbraw/zinc/67/74/61/469677461.db2.gz VHDHONYCZQHFBY-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000619900494 469707014 /nfs/dbraw/zinc/70/70/14/469707014.db2.gz VTYVQRSHFBQOQY-SFHVURJKSA-N 2 0 344.503 2.043 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000626925829 469757581 /nfs/dbraw/zinc/75/75/81/469757581.db2.gz SAMGALWIOXLWOV-QAPCUYQASA-N 2 0 332.492 2.468 10 0 EEAERP CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000608507935 469829784 /nfs/dbraw/zinc/82/97/84/469829784.db2.gz PGOCCSQGAZHMJF-UXHICEINSA-N 2 0 333.520 2.143 10 0 EEAERP CCN(C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617923428 469837701 /nfs/dbraw/zinc/83/77/01/469837701.db2.gz CEQBIWGWDSSHHA-RTBURBONSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627195454 469840497 /nfs/dbraw/zinc/84/04/97/469840497.db2.gz KXJVNSFWEGRGAX-YOEHRIQHSA-N 2 0 336.455 2.039 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342280 469910580 /nfs/dbraw/zinc/91/05/80/469910580.db2.gz BCFAGWRGHLQABQ-KXBFYZLASA-N 2 0 345.487 2.431 10 0 EEAERP [NH3+][C@H](c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C1CCOCC1 ZINC000630591810 469914731 /nfs/dbraw/zinc/91/47/31/469914731.db2.gz HPBNSOSFSIOHCM-MJGOQNOKSA-N 2 0 341.459 2.152 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000633110986 470353810 /nfs/dbraw/zinc/35/38/10/470353810.db2.gz ZYEIAEMPRBPBDT-QGZVFWFLSA-N 2 0 338.540 2.480 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000647171288 470846904 /nfs/dbraw/zinc/84/69/04/470846904.db2.gz DWUWYRUILMQPCL-UHFFFAOYSA-N 2 0 328.460 2.383 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000647474441 470910635 /nfs/dbraw/zinc/91/06/35/470910635.db2.gz VDUUAKXFBXOCCQ-HNNXBMFYSA-N 2 0 326.404 2.064 10 0 EEAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000650719255 470950181 /nfs/dbraw/zinc/95/01/81/470950181.db2.gz JNKJFMJXFDCWDG-OAHLLOKOSA-N 2 0 332.469 2.358 10 0 EEAERP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000647793201 470985828 /nfs/dbraw/zinc/98/58/28/470985828.db2.gz PIRRWENLDHQQDD-UGQVUOCMSA-N 2 0 339.277 2.460 10 0 EEAERP O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657399708 471126240 /nfs/dbraw/zinc/12/62/40/471126240.db2.gz CQTYICIWJKDJEJ-INIZCTEOSA-N 2 0 339.443 2.148 10 0 EEAERP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n(CC2CC2)n1 ZINC000657537198 471163856 /nfs/dbraw/zinc/16/38/56/471163856.db2.gz CDCVATBJVCDHEF-UHFFFAOYSA-N 2 0 332.492 2.274 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000652198575 471254713 /nfs/dbraw/zinc/25/47/13/471254713.db2.gz MSBUVYHVJMYCOR-UHFFFAOYSA-N 2 0 330.476 2.222 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000652285439 471266640 /nfs/dbraw/zinc/26/66/40/471266640.db2.gz ZQGALZMEEYYQOE-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000652286713 471267302 /nfs/dbraw/zinc/26/73/02/471267302.db2.gz CQKKLZHHTYORKH-KRWDZBQOSA-N 2 0 344.503 2.279 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000663506873 471405121 /nfs/dbraw/zinc/40/51/21/471405121.db2.gz WNSMTUQSRZJQAE-UHFFFAOYSA-N 2 0 329.897 2.482 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659031806 471474558 /nfs/dbraw/zinc/47/45/58/471474558.db2.gz OELRFQCLSQRXAJ-PBHICJAKSA-N 2 0 334.464 2.199 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420312 471489755 /nfs/dbraw/zinc/48/97/55/471489755.db2.gz IXAUDBHZQZTIHQ-NZSAHSFTSA-N 2 0 344.503 2.196 10 0 EEAERP [NH3+][C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000669509042 471527983 /nfs/dbraw/zinc/52/79/83/471527983.db2.gz GECBCBUCBVCHOR-MRXNPFEDSA-N 2 0 332.835 2.031 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655915757 471537343 /nfs/dbraw/zinc/53/73/43/471537343.db2.gz XLBORNKKNSCTTL-MRVWCRGKSA-N 2 0 344.381 2.011 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000659285334 471565661 /nfs/dbraw/zinc/56/56/61/471565661.db2.gz UABGRZWHJMDFRB-IPQPSQTFSA-N 2 0 345.487 2.051 10 0 EEAERP O=C(C[NH2+]C1CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381412 471599672 /nfs/dbraw/zinc/59/96/72/471599672.db2.gz KQDIADIHYQHIPY-KRWDZBQOSA-N 2 0 327.472 2.157 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)[NH+]2CCCC2)o1 ZINC000659447371 471632435 /nfs/dbraw/zinc/63/24/35/471632435.db2.gz ICEARFIUMILRPU-HZPDHXFCSA-N 2 0 336.480 2.398 10 0 EEAERP CC(C)([NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659520728 471665783 /nfs/dbraw/zinc/66/57/83/471665783.db2.gz MLCJADRWBZNHTN-KRWDZBQOSA-N 2 0 344.503 2.325 10 0 EEAERP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659525408 471666560 /nfs/dbraw/zinc/66/65/60/471666560.db2.gz FXPQOXRQXISLMF-WMZOPIPTSA-N 2 0 344.503 2.183 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000667329287 471740251 /nfs/dbraw/zinc/74/02/51/471740251.db2.gz FCDBJWFRKCUENO-NEWSRXKRSA-N 2 0 344.503 2.385 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000661404864 471746530 /nfs/dbraw/zinc/74/65/30/471746530.db2.gz AOFZMZIXGYWZSU-MSOLQXFVSA-N 2 0 344.503 2.433 10 0 EEAERP CO[C@@H](C[N@H+](C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCOC1 ZINC000659990888 471817728 /nfs/dbraw/zinc/81/77/28/471817728.db2.gz ISMCEEMFQDHFEA-PXNSSMCTSA-N 2 0 347.503 2.072 10 0 EEAERP CO[C@H](C[N@H+](C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000659990893 471817860 /nfs/dbraw/zinc/81/78/60/471817860.db2.gz ISMCEEMFQDHFEA-YLJYHZDGSA-N 2 0 347.503 2.072 10 0 EEAERP CC(CC[NH+]1C[C@H](C)C(O)[C@@H](C)C1)CC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661621321 471828516 /nfs/dbraw/zinc/82/85/16/471828516.db2.gz MZDWAEVHTKNXTA-XSLAGTTESA-N 2 0 340.552 2.300 10 0 EEAERP CC1(C)C[N@@H+]([C@H]2CCNC2=O)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837235 471876111 /nfs/dbraw/zinc/87/61/11/471876111.db2.gz TUGADPRXZYBHGL-OALUTQOASA-N 2 0 341.499 2.498 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000664865029 471882587 /nfs/dbraw/zinc/88/25/87/471882587.db2.gz FATSKSCHYMCJJK-NXHRZFHOSA-N 2 0 332.492 2.413 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667756576 471894017 /nfs/dbraw/zinc/89/40/17/471894017.db2.gz ZOBKEEOHVOVHAY-AZUAARDMSA-N 2 0 330.472 2.300 10 0 EEAERP O=C(C[NH+]1CCC([C@H]2CCCCO2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000661868494 471909626 /nfs/dbraw/zinc/90/96/26/471909626.db2.gz MMNJWXJILKKFTP-LJQANCHMSA-N 2 0 349.519 2.011 10 0 EEAERP [NH3+][C@@H]1C[C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000665241011 471976961 /nfs/dbraw/zinc/97/69/61/471976961.db2.gz XWNCGLCPWHDNES-DUXKGJEZSA-N 2 0 337.467 2.488 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000665259846 471983954 /nfs/dbraw/zinc/98/39/54/471983954.db2.gz SGAOPPJKILRKTA-ZMMAXQRCSA-N 2 0 347.478 2.496 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)CC1CC1 ZINC000662278888 472053107 /nfs/dbraw/zinc/05/31/07/472053107.db2.gz NIHUSCRFDSNHFC-LJQANCHMSA-N 3 0 335.536 2.341 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1Cc1ccccc1 ZINC000662748037 472234044 /nfs/dbraw/zinc/23/40/44/472234044.db2.gz JSFSUBDYGBXFLO-DZGCQCFKSA-N 2 0 342.443 2.261 10 0 EEAERP C[NH+]1CCC(CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673863691 485560332 /nfs/dbraw/zinc/56/03/32/485560332.db2.gz TXJSFPPDSNXQQQ-UHFFFAOYSA-N 2 0 328.420 2.121 10 0 EEAERP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658142570 485572458 /nfs/dbraw/zinc/57/24/58/485572458.db2.gz YOXVOSARTLNVGV-QAPCUYQASA-N 2 0 326.444 2.202 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000680461014 485976855 /nfs/dbraw/zinc/97/68/55/485976855.db2.gz PKIJPYIPJQUGON-UHFFFAOYSA-N 2 0 336.480 2.433 10 0 EEAERP C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000680958760 486098064 /nfs/dbraw/zinc/09/80/64/486098064.db2.gz JLSORZRDTPSPQP-GEEKYZPCSA-N 2 0 332.496 2.266 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000678278025 486608939 /nfs/dbraw/zinc/60/89/39/486608939.db2.gz SFLQCTWQAMGQKD-YOEHRIQHSA-N 2 0 339.505 2.220 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073643064 490588923 /nfs/dbraw/zinc/58/89/23/490588923.db2.gz FJZCEVDBFYXMFO-MRXNPFEDSA-N 2 0 332.492 2.453 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246219972 535772619 /nfs/dbraw/zinc/77/26/19/535772619.db2.gz GPLRUKPWJIFCEY-CEXWTWQISA-N 2 0 329.488 2.484 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134711 577150469 /nfs/dbraw/zinc/15/04/69/577150469.db2.gz GIIBPTCAVRDJFP-SFHVURJKSA-N 2 0 333.476 2.464 10 0 EEAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COCc3ccccc3Cl)C2)C1 ZINC000292264811 678701416 /nfs/dbraw/zinc/70/14/16/678701416.db2.gz YYUPPGJLSMUVNF-FUHWJXTLSA-N 2 0 338.879 2.245 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000915163152 684058458 /nfs/dbraw/zinc/05/84/58/684058458.db2.gz AKVZAEZJAPSTAN-QAPCUYQASA-N 2 0 336.524 2.423 10 0 EEAERP COC(=O)[C@@H]1[C@H](C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1(F)F ZINC000895467860 684612449 /nfs/dbraw/zinc/61/24/49/684612449.db2.gz OWBDPTLWFFNZOW-GJZGRUSLSA-N 2 0 332.435 2.341 10 0 EEAERP C[C@@H]1C[N@H+](Cc2cccn(C(F)F)c2=O)CCN1c1cc[nH+]cc1 ZINC000895557616 684641790 /nfs/dbraw/zinc/64/17/90/684641790.db2.gz PJUVQLWOKONFLE-CYBMUJFWSA-N 2 0 334.370 2.349 10 0 EEAERP O=S1(=O)CCC[C@@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000895708016 684690006 /nfs/dbraw/zinc/69/00/06/684690006.db2.gz YHDLDWSGFVPZPF-IAGOWNOFSA-N 2 0 333.457 2.181 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCCOC)CC1(C)C ZINC001485570178 1191839543 /nfs/dbraw/zinc/83/95/43/1191839543.db2.gz AUODSLYPNDHCTN-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001485655276 1191873660 /nfs/dbraw/zinc/87/36/60/1191873660.db2.gz FLXDHHMYQIOMTP-BBWFWOEESA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nccs1)NC(=O)c1cccc2nccn21 ZINC001485731023 1191921413 /nfs/dbraw/zinc/92/14/13/1191921413.db2.gz WWBQXGYNHLGWKQ-CYBMUJFWSA-N 2 0 343.456 2.479 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1)[NH+](C)C ZINC001266414557 1176505124 /nfs/dbraw/zinc/50/51/24/1176505124.db2.gz DYEBWJRHINULCF-HUUCEWRRSA-N 2 0 338.883 2.060 10 0 EEAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C[C@H]1CCC(F)(F)C1 ZINC001480874536 1176543829 /nfs/dbraw/zinc/54/38/29/1176543829.db2.gz AJNQRWPJHMNDNZ-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1c(C(=O)N[C@H](C[NH2+]CC[C@@H](C)F)C2CC2)ccc2c[nH+]cn21 ZINC001670491288 1176830966 /nfs/dbraw/zinc/83/09/66/1176830966.db2.gz WDYKSHFSPYBMCR-SJKOYZFVSA-N 2 0 332.423 2.489 10 0 EEAERP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCCF ZINC001670581305 1176923975 /nfs/dbraw/zinc/92/39/75/1176923975.db2.gz GOKSJCCXMGWHDC-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001266656251 1177068538 /nfs/dbraw/zinc/06/85/38/1177068538.db2.gz RAKBXQXJNGMOFF-HQSKLWIPSA-N 2 0 337.508 2.009 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cc(F)ccc2C)CC[N@@H+]1C ZINC001266706320 1177235597 /nfs/dbraw/zinc/23/55/97/1177235597.db2.gz KZAJIKPVSLXKKD-ZWKOTPCHSA-N 2 0 335.467 2.412 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266750224 1177348038 /nfs/dbraw/zinc/34/80/38/1177348038.db2.gz SCWQPGBNCKVEPI-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001266767735 1177384045 /nfs/dbraw/zinc/38/40/45/1177384045.db2.gz QNAZUZYGJHVSJU-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1)C12CCC[NH+]1CCC2 ZINC001266796447 1177444560 /nfs/dbraw/zinc/44/45/60/1177444560.db2.gz ZAXPSSODLDOLTL-LWUPOJRFSA-N 2 0 325.884 2.196 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001266822565 1177492767 /nfs/dbraw/zinc/49/27/67/1177492767.db2.gz AVUUTIQMZWKOKE-FQEVSTJZSA-N 2 0 343.515 2.462 10 0 EEAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266872461 1177670448 /nfs/dbraw/zinc/67/04/48/1177670448.db2.gz LAXYJVGLYUJYOV-MRXNPFEDSA-N 2 0 327.432 2.262 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001691173987 1177673632 /nfs/dbraw/zinc/67/36/32/1177673632.db2.gz NXVBVWUYCLCYFQ-KQQSKNTNSA-N 2 0 327.900 2.443 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCc3ccccc3)C2)CC1 ZINC001267054845 1178160921 /nfs/dbraw/zinc/16/09/21/1178160921.db2.gz DRQIKIGYWWZPFL-IBGZPJMESA-N 2 0 343.515 2.399 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001267057106 1178164555 /nfs/dbraw/zinc/16/45/55/1178164555.db2.gz BCAABLAYWGKVBY-INIZCTEOSA-N 2 0 337.895 2.272 10 0 EEAERP CN(CC[NH2+]Cc1cncc(F)c1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001267116542 1178279325 /nfs/dbraw/zinc/27/93/25/1178279325.db2.gz CUNVYJMSMYNFBT-UHFFFAOYSA-N 2 0 344.434 2.144 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267162531 1178360276 /nfs/dbraw/zinc/36/02/76/1178360276.db2.gz GLYMEYLJPOOCAT-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC(F)(F)C1 ZINC001267163301 1178365727 /nfs/dbraw/zinc/36/57/27/1178365727.db2.gz QOCAUOPQWWWGAI-HZPDHXFCSA-N 2 0 343.462 2.487 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)on1 ZINC001267394230 1178964083 /nfs/dbraw/zinc/96/40/83/1178964083.db2.gz FSWZQMJRCQASLE-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267455406 1179037384 /nfs/dbraw/zinc/03/73/84/1179037384.db2.gz PEBDIDHTAFLAJQ-UHFFFAOYSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1nc(C)c(C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)C(C)C)o1 ZINC001267499416 1179186236 /nfs/dbraw/zinc/18/62/36/1179186236.db2.gz VAZAVUAWAORBPK-INIZCTEOSA-N 2 0 336.480 2.102 10 0 EEAERP COCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267567844 1179382576 /nfs/dbraw/zinc/38/25/76/1179382576.db2.gz QONOWFPYQHSECW-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001481111254 1179761959 /nfs/dbraw/zinc/76/19/59/1179761959.db2.gz GLGLWMVXTMJWQT-SJORKVTESA-N 2 0 333.520 2.347 10 0 EEAERP Cc1ccc(C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1C ZINC001481194573 1180063138 /nfs/dbraw/zinc/06/31/38/1180063138.db2.gz LWDOXRGADGKQFN-UHFFFAOYSA-N 2 0 341.499 2.480 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCOC2CCC2)C1 ZINC001279242420 1180414039 /nfs/dbraw/zinc/41/40/39/1180414039.db2.gz RVSSEGSKUBGDRW-AQFXKWCLSA-N 2 0 337.508 2.009 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267885842 1180686642 /nfs/dbraw/zinc/68/66/42/1180686642.db2.gz BJBQJMNWJFDWDV-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001267900897 1180725101 /nfs/dbraw/zinc/72/51/01/1180725101.db2.gz PVUBHTKTLGUZEF-KRWDZBQOSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]C/C(Cl)=C/Cl)CC2)C1 ZINC001267919154 1180763831 /nfs/dbraw/zinc/76/38/31/1180763831.db2.gz RCDGVAJVAYSWME-MKRLJBPISA-N 2 0 348.318 2.475 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001481445882 1181363790 /nfs/dbraw/zinc/36/37/90/1181363790.db2.gz BOYLNTGCFXXWLT-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1)[NH+]1CCCCCC1 ZINC001481500863 1181577211 /nfs/dbraw/zinc/57/72/11/1181577211.db2.gz SGFPLUKSPKOEKH-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)c(C)o1 ZINC001268151432 1181839869 /nfs/dbraw/zinc/83/98/69/1181839869.db2.gz PHISJQROXISJHY-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001268169581 1181933074 /nfs/dbraw/zinc/93/30/74/1181933074.db2.gz CSIDHQQSTAOKNW-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732383 1182412470 /nfs/dbraw/zinc/41/24/70/1182412470.db2.gz MYSIKOHEGLBKND-WBVHZDCISA-N 2 0 339.524 2.207 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1F ZINC001268400472 1182492807 /nfs/dbraw/zinc/49/28/07/1182492807.db2.gz XPKFUOJOMLKSAV-HOCLYGCPSA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001481848524 1182783623 /nfs/dbraw/zinc/78/36/23/1182783623.db2.gz PACBMMMJRNGBLP-APWZRJJASA-N 2 0 331.504 2.228 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)o1 ZINC001481856188 1182817582 /nfs/dbraw/zinc/81/75/82/1182817582.db2.gz PXQZWKZWILGQPS-GDBMZVCRSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268478001 1182905657 /nfs/dbraw/zinc/90/56/57/1182905657.db2.gz YNVPZRUWWCRZSV-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1nc(C)oc1C)C1CC1)[NH+](C)C ZINC001481943016 1183003661 /nfs/dbraw/zinc/00/36/61/1183003661.db2.gz YJGFDVMOAUGGBA-FUHWJXTLSA-N 2 0 336.480 2.006 10 0 EEAERP CCN(CC[NH2+]CC1CCOCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268499316 1183029115 /nfs/dbraw/zinc/02/91/15/1183029115.db2.gz JQCVWPWAWDKUBH-UHFFFAOYSA-N 2 0 347.503 2.227 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001481977212 1183065962 /nfs/dbraw/zinc/06/59/62/1183065962.db2.gz MTMWTEFMCMSHLB-SJLPKXTDSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001481998912 1183107823 /nfs/dbraw/zinc/10/78/23/1183107823.db2.gz BLZJVCNBCKVHCX-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CC(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)C1CCC1 ZINC001481999353 1183112859 /nfs/dbraw/zinc/11/28/59/1183112859.db2.gz LGSRRAWEYDZDBA-UHFFFAOYSA-N 2 0 344.503 2.284 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001268538149 1183201695 /nfs/dbraw/zinc/20/16/95/1183201695.db2.gz GZGXTGZNKZKRHT-LPQSXRFUSA-N 2 0 349.425 2.069 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001268542907 1183214860 /nfs/dbraw/zinc/21/48/60/1183214860.db2.gz SFENIWJPTQOORT-SNJGYRBVSA-N 2 0 334.464 2.036 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001268550498 1183234243 /nfs/dbraw/zinc/23/42/43/1183234243.db2.gz QCMOEBPTPHBOPI-AATRIKPKSA-N 2 0 336.505 2.006 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482068091 1183289461 /nfs/dbraw/zinc/28/94/61/1183289461.db2.gz CGLVDEILNOIPLD-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CC(F)(F)C1 ZINC001482135087 1183390610 /nfs/dbraw/zinc/39/06/10/1183390610.db2.gz GSUXMLIPEFUQRL-YDHLFZDLSA-N 2 0 331.451 2.104 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CN(C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001268734152 1183652725 /nfs/dbraw/zinc/65/27/25/1183652725.db2.gz APQLGEQMEZSRHA-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268746203 1183664802 /nfs/dbraw/zinc/66/48/02/1183664802.db2.gz IRNOWJYKSQJWCM-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF)[NH+]1CCCCC1 ZINC001268757636 1183677739 /nfs/dbraw/zinc/67/77/39/1183677739.db2.gz DJVDDTHCDGBGMO-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]CC[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001268802069 1183720299 /nfs/dbraw/zinc/72/02/99/1183720299.db2.gz MHGVYUATJKCIPZ-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001268822502 1183741937 /nfs/dbraw/zinc/74/19/37/1183741937.db2.gz PLYYZMDECBHUKM-WMZOPIPTSA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1ncccn1)[NH+]1CCCC1 ZINC001268962176 1183859427 /nfs/dbraw/zinc/85/94/27/1183859427.db2.gz OOWANKRLCIBDTP-DLBZAZTESA-N 2 0 347.507 2.096 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCC1)C1CCC1 ZINC001269553947 1184382964 /nfs/dbraw/zinc/38/29/64/1184382964.db2.gz HSYYOPFWPOBFQH-KRWDZBQOSA-N 2 0 337.508 2.058 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001482232875 1184418533 /nfs/dbraw/zinc/41/85/33/1184418533.db2.gz WJXNPTDSNQWUIY-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCCCOC)C2)C1)[NH+](C)C ZINC001269740588 1184574271 /nfs/dbraw/zinc/57/42/71/1184574271.db2.gz GPKYYRWMTILRFX-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269798302 1184626322 /nfs/dbraw/zinc/62/63/22/1184626322.db2.gz JJIGLMCOBOHDIW-MSOLQXFVSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482295562 1185157594 /nfs/dbraw/zinc/15/75/94/1185157594.db2.gz BOMGLSLFLQCSQA-XJKSGUPXSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001280273759 1185325022 /nfs/dbraw/zinc/32/50/22/1185325022.db2.gz IKWSSWFLSVZWBM-GFCCVEGCSA-N 2 0 345.274 2.408 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001270726548 1185349844 /nfs/dbraw/zinc/34/98/44/1185349844.db2.gz GVIMPAVTQNWFMH-NUJGCVRESA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCCF)C2CCCCC2)C1 ZINC001482409532 1185637540 /nfs/dbraw/zinc/63/75/40/1185637540.db2.gz NHRFYOIHEPIJGA-WBVHZDCISA-N 2 0 327.488 2.343 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001482421051 1185665994 /nfs/dbraw/zinc/66/59/94/1185665994.db2.gz HCVSTJOEVZTBKQ-IAGOWNOFSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1[NH2+]CCCF ZINC001482435525 1185710196 /nfs/dbraw/zinc/71/01/96/1185710196.db2.gz RCWMAJXHCQKCJV-QAPCUYQASA-N 2 0 339.499 2.295 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)oc1C ZINC001482444711 1185753933 /nfs/dbraw/zinc/75/39/33/1185753933.db2.gz OXAXBJUMLIQCHM-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP CCc1ccccc1[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCF ZINC001271449108 1186242454 /nfs/dbraw/zinc/24/24/54/1186242454.db2.gz ZBJPIRZDNWYFBE-GOSISDBHSA-N 2 0 347.478 2.451 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554561 1186716524 /nfs/dbraw/zinc/71/65/24/1186716524.db2.gz VLWFEMFYZAZMMH-LPHOPBHVSA-N 2 0 349.494 2.440 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001272772243 1193490594 /nfs/dbraw/zinc/49/05/94/1193490594.db2.gz DLHWUYKIQYTAPV-BBRMVZONSA-N 2 0 338.521 2.309 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482696308 1187666205 /nfs/dbraw/zinc/66/62/05/1187666205.db2.gz VHVHFKONQDHODC-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cccc(CCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001482992139 1187969822 /nfs/dbraw/zinc/96/98/22/1187969822.db2.gz VRXPEHHSBHOXRD-RTLBZRNLSA-N 2 0 329.488 2.284 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001483094186 1188462507 /nfs/dbraw/zinc/46/25/07/1188462507.db2.gz YXFHMSWRBATXRC-KYVUIXNKSA-N 2 0 349.906 2.486 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272864907 1193583162 /nfs/dbraw/zinc/58/31/62/1193583162.db2.gz JGKNQTCUEKESRQ-DYVFJYSZSA-N 2 0 334.464 2.021 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001483171833 1189010643 /nfs/dbraw/zinc/01/06/43/1189010643.db2.gz ALMRCUXHJARCDZ-BHIYHBOVSA-N 2 0 347.503 2.077 10 0 EEAERP CCc1cnc(CN[C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001485884195 1193629052 /nfs/dbraw/zinc/62/90/52/1193629052.db2.gz BDLFYSYDOXRDKX-HUUCEWRRSA-N 2 0 336.480 2.048 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485945288 1193654354 /nfs/dbraw/zinc/65/43/54/1193654354.db2.gz VFYDBHRNEVOYKT-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCc2c1cccc2F ZINC001485945594 1193654642 /nfs/dbraw/zinc/65/46/42/1193654642.db2.gz XTMJCYPNNDTLCO-KBXCAEBGSA-N 2 0 345.462 2.345 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1CCOCC1 ZINC001409689073 1190189432 /nfs/dbraw/zinc/18/94/32/1190189432.db2.gz ORAURSAJQNFFHV-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CC[NH+]1CCCCC1 ZINC001483296668 1190319455 /nfs/dbraw/zinc/31/94/55/1190319455.db2.gz NOBSZDMYZGMBNE-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456439 1190484986 /nfs/dbraw/zinc/48/49/86/1190484986.db2.gz WINZBZWBZNANNW-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)c1C ZINC001486095494 1193679664 /nfs/dbraw/zinc/67/96/64/1193679664.db2.gz JLWJLYXEVYSFGY-FUHWJXTLSA-N 2 0 347.503 2.423 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)COC2)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483474215 1190496029 /nfs/dbraw/zinc/49/60/29/1190496029.db2.gz HXRYEZRCNZZBDC-IBGZPJMESA-N 2 0 345.487 2.139 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)C[NH+]1CCCC1 ZINC001486125585 1193688923 /nfs/dbraw/zinc/68/89/23/1193688923.db2.gz CCGJSGIJMOVQOC-QZTJIDSGSA-N 2 0 345.487 2.130 10 0 EEAERP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001409829957 1190661488 /nfs/dbraw/zinc/66/14/88/1190661488.db2.gz FTIFERNGNQXTNP-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cncc(C)c1)CC2)[NH+](C)C ZINC001486147844 1193698734 /nfs/dbraw/zinc/69/87/34/1193698734.db2.gz QXDHHCBTGZJTKG-BJLQDIEVSA-N 2 0 344.503 2.343 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCc2ccccc2)CC1 ZINC001483759463 1190986979 /nfs/dbraw/zinc/98/69/79/1190986979.db2.gz HSXGNYSOVVAHFQ-SFHVURJKSA-N 2 0 329.488 2.342 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCC1([NH2+]Cc2cccc(C(C)C)n2)CC1 ZINC001483786437 1191028246 /nfs/dbraw/zinc/02/82/46/1191028246.db2.gz YEFJHZFZBQNFFI-UHFFFAOYSA-N 2 0 341.459 2.218 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(C)ns2)CC1 ZINC001483795160 1191035050 /nfs/dbraw/zinc/03/50/50/1191035050.db2.gz PTYCZIKWOHGLMH-OAHLLOKOSA-N 2 0 336.505 2.064 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](C[C@@H](F)CC)C2)C1 ZINC001483847997 1191083337 /nfs/dbraw/zinc/08/33/37/1191083337.db2.gz QFLRFCQIPUQNIW-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP CCOCCC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001483836938 1191087594 /nfs/dbraw/zinc/08/75/94/1191087594.db2.gz QUIYISPVWQXYCN-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001483931896 1191122643 /nfs/dbraw/zinc/12/26/43/1191122643.db2.gz SLGLFZMYYAIKOJ-UONOGXRCSA-N 2 0 335.414 2.392 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCCO1)C1CCC1 ZINC001483934379 1191123523 /nfs/dbraw/zinc/12/35/23/1191123523.db2.gz PEJWOCQEOHNXCV-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+]2CCCC2)o1 ZINC001483957081 1191130792 /nfs/dbraw/zinc/13/07/92/1191130792.db2.gz BHFWELHBSRYFKM-KRWDZBQOSA-N 2 0 348.491 2.330 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+](C[C@@H](C)OC)C2)C1 ZINC001484023317 1191160918 /nfs/dbraw/zinc/16/09/18/1191160918.db2.gz ZSVUNXSEVNIJSV-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001484069947 1191190692 /nfs/dbraw/zinc/19/06/92/1191190692.db2.gz CWKBIHQEUOZBTN-UYAOXDASSA-N 2 0 345.462 2.489 10 0 EEAERP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCOCC1)[NH+](C)C ZINC001484190037 1191265494 /nfs/dbraw/zinc/26/54/94/1191265494.db2.gz AHCXIRPRCJMMRE-GOSISDBHSA-N 2 0 347.503 2.028 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001484568067 1191421275 /nfs/dbraw/zinc/42/12/75/1191421275.db2.gz COSWVTGKUJZIDB-RZUHODDWSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001484571758 1191424606 /nfs/dbraw/zinc/42/46/06/1191424606.db2.gz HSDLYCWODFLSRO-GERCFGONSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C3CCC3)CCC2)sn1 ZINC001484637499 1191453691 /nfs/dbraw/zinc/45/36/91/1191453691.db2.gz GSPDKHBQCMYJOE-UHFFFAOYSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1nocc1C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001484742494 1191494329 /nfs/dbraw/zinc/49/43/29/1191494329.db2.gz DGDXLOZLRQVIJL-KRWDZBQOSA-N 2 0 336.480 2.136 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCC3=CCCCC3)C2)O1 ZINC001484786408 1191520663 /nfs/dbraw/zinc/52/06/63/1191520663.db2.gz JTSDXYHWEMQJQX-GOSISDBHSA-N 2 0 349.519 2.178 10 0 EEAERP CCC1([NH2+]Cc2cc(C)no2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484810797 1191532518 /nfs/dbraw/zinc/53/25/18/1191532518.db2.gz LHSDASPMVIWBBM-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCOC)C2)C1)[NH+](CC)CC ZINC001484832194 1191546008 /nfs/dbraw/zinc/54/60/08/1191546008.db2.gz SKBMVFJBFDZVID-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001484983789 1191601304 /nfs/dbraw/zinc/60/13/04/1191601304.db2.gz YEOACWQZEMOSPL-ZBFHGGJFSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC001485010961 1191615344 /nfs/dbraw/zinc/61/53/44/1191615344.db2.gz ARMLTULUFJWKOI-UHFFFAOYSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC001485068742 1191636294 /nfs/dbraw/zinc/63/62/94/1191636294.db2.gz HZHKZYCQFLPFBW-OAHLLOKOSA-N 2 0 338.883 2.110 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001485186893 1191684864 /nfs/dbraw/zinc/68/48/64/1191684864.db2.gz IEOCHPQCSYVGAB-STQMWFEESA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccnc1 ZINC001485323016 1191742119 /nfs/dbraw/zinc/74/21/19/1191742119.db2.gz JORLUGIHKOLNML-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485485363 1191814778 /nfs/dbraw/zinc/81/47/78/1191814778.db2.gz PVCFSQGUUQLTHD-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001485501976 1191817365 /nfs/dbraw/zinc/81/73/65/1191817365.db2.gz CRKVDUPTAOHXHK-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001486177177 1193715355 /nfs/dbraw/zinc/71/53/55/1193715355.db2.gz PMVQNNBTRRJEPJ-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1)CC(C)(C)C ZINC001486242681 1193769560 /nfs/dbraw/zinc/76/95/60/1193769560.db2.gz MUSKOKYYYPZEBJ-QGZVFWFLSA-N 2 0 346.519 2.386 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCc1ccccc1F)C(C)(C)C ZINC001486408323 1193916287 /nfs/dbraw/zinc/91/62/87/1193916287.db2.gz BQGCJNBKFHDOGJ-KRWDZBQOSA-N 2 0 337.483 2.440 10 0 EEAERP Cc1nc(CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)cs1 ZINC001486411911 1193920689 /nfs/dbraw/zinc/92/06/89/1193920689.db2.gz VIHMMJQWTUEVBE-HNNXBMFYSA-N 2 0 340.537 2.066 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001486402376 1193926608 /nfs/dbraw/zinc/92/66/08/1193926608.db2.gz DZCKIMWODADAQB-OAHLLOKOSA-N 2 0 327.488 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+][C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC001486416632 1193946497 /nfs/dbraw/zinc/94/64/97/1193946497.db2.gz KHLFQYOBFTWLHC-WBVHZDCISA-N 2 0 349.523 2.308 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCOc2ccccc2C)C1)[NH+](C)C ZINC001486476966 1193990095 /nfs/dbraw/zinc/99/00/95/1193990095.db2.gz VNKOHEMARFBXFL-ABHNRTSZSA-N 2 0 347.503 2.293 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(COC)c2)C1)[NH+](C)C ZINC001409973751 1195942719 /nfs/dbraw/zinc/94/27/19/1195942719.db2.gz WJLUTRJHUUBEEC-HNAYVOBHSA-N 2 0 347.503 2.110 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001410230192 1197619811 /nfs/dbraw/zinc/61/98/11/1197619811.db2.gz VCVZXCDBCHTHKV-KKUMJFAQSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1nocc1C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001410253215 1197636326 /nfs/dbraw/zinc/63/63/26/1197636326.db2.gz ZMRBSXLXYLCQCK-SJORKVTESA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001410394714 1197796754 /nfs/dbraw/zinc/79/67/54/1197796754.db2.gz ONBKTQONGDYDKU-INIZCTEOSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410489536 1198043866 /nfs/dbraw/zinc/04/38/66/1198043866.db2.gz UFTUPCGBXOGXNR-UKRRQHHQSA-N 2 0 339.430 2.243 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2=O)[C@@H](C)C1 ZINC000872112969 1198048278 /nfs/dbraw/zinc/04/82/78/1198048278.db2.gz DYJICQLSOXJJIX-ULQDDVLXSA-N 2 0 326.481 2.056 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc(/C=C/[C@@H]3CCC[NH2+]C3)n2)ccn1 ZINC000872174745 1198071234 /nfs/dbraw/zinc/07/12/34/1198071234.db2.gz GCEPNHGWNGWHFE-GJBLVYBDSA-N 2 0 343.431 2.085 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001279180757 1198432949 /nfs/dbraw/zinc/43/29/49/1198432949.db2.gz GIRRAIBXNSFHMJ-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001410953727 1198621692 /nfs/dbraw/zinc/62/16/92/1198621692.db2.gz KOINUUHPJDFNPJ-DLBZAZTESA-N 2 0 349.523 2.179 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C(C)(C)C)o1 ZINC001411209843 1198915201 /nfs/dbraw/zinc/91/52/01/1198915201.db2.gz XTEPBUPRJXFUMJ-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)OCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001411233889 1198944808 /nfs/dbraw/zinc/94/48/08/1198944808.db2.gz HVBFMDQAFZNCQH-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]C/C(Cl)=C/Cl)C2)CC[N@@H+]1C ZINC001411238381 1198951973 /nfs/dbraw/zinc/95/19/73/1198951973.db2.gz LWAVSGXBVVUMAD-QDGIAYOASA-N 2 0 334.291 2.225 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810182504 1199336938 /nfs/dbraw/zinc/33/69/38/1199336938.db2.gz VCKGLRCXIYDCCV-PXNSSMCTSA-N 2 0 349.494 2.488 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2coc3ccccc23)C[C@H]1C[NH+](C)C ZINC000870018756 1200409401 /nfs/dbraw/zinc/40/94/01/1200409401.db2.gz VXLCRNJVZJCMDS-IAGOWNOFSA-N 2 0 343.471 2.173 10 0 EEAERP CS[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870021884 1200411470 /nfs/dbraw/zinc/41/14/70/1200411470.db2.gz UIYXCLWGOBXPKH-KZNAEPCWSA-N 2 0 349.544 2.289 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)Cc1ccccc1 ZINC000870863856 1200918717 /nfs/dbraw/zinc/91/87/17/1200918717.db2.gz FSYIABIZBQWEDE-LXZJYRNTSA-N 2 0 329.488 2.183 10 0 EEAERP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870934777 1200965942 /nfs/dbraw/zinc/96/59/42/1200965942.db2.gz FXQUOHMLZNJUFL-QMTHXVAHSA-N 2 0 340.265 2.035 10 0 EEAERP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708597 1201586160 /nfs/dbraw/zinc/58/61/60/1201586160.db2.gz OZLNGNQALMRUNH-KURKYZTESA-N 2 0 329.444 2.177 10 0 EEAERP CS[C@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H]1[NH+](C)C ZINC000868180678 1201758785 /nfs/dbraw/zinc/75/87/85/1201758785.db2.gz IBNHWFCGYNJRBA-JJXSEGSLSA-N 2 0 334.489 2.011 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1cncc(F)c1)[NH+]1CCCCC1 ZINC001274024910 1204331413 /nfs/dbraw/zinc/33/14/13/1204331413.db2.gz JGYUTGFJUYURLP-SNAWJCMRSA-N 2 0 348.466 2.247 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCCOC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001274087900 1204365351 /nfs/dbraw/zinc/36/53/51/1204365351.db2.gz DWRJPUZCYSOTFZ-VKCQWTKXSA-N 2 0 349.519 2.082 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274286681 1204986379 /nfs/dbraw/zinc/98/63/79/1204986379.db2.gz KHWCQZKELRMXKH-WRFKIARRSA-N 2 0 333.451 2.380 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001274633160 1205106089 /nfs/dbraw/zinc/10/60/89/1205106089.db2.gz FVXKSCAFNSDYBL-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCCCF ZINC001274644867 1205113313 /nfs/dbraw/zinc/11/33/13/1205113313.db2.gz SNRNYIDQMIDLEQ-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCOCC)C1 ZINC001275024436 1205237634 /nfs/dbraw/zinc/23/76/34/1205237634.db2.gz CBFNCUQBUHOETB-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001411892064 1205583023 /nfs/dbraw/zinc/58/30/23/1205583023.db2.gz VZVKSTHTXDJAGM-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000924551364 1205995109 /nfs/dbraw/zinc/99/51/09/1205995109.db2.gz VKDDTUMNSUSFNT-ZCQXEVHSSA-N 2 0 347.478 2.129 10 0 EEAERP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925519411 1206122559 /nfs/dbraw/zinc/12/25/59/1206122559.db2.gz CEZDMSNURNWXDT-RKVPGOIHSA-N 2 0 342.487 2.321 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925539408 1206124781 /nfs/dbraw/zinc/12/47/81/1206124781.db2.gz WIUFRXIMOGUZSQ-GBESFXJTSA-N 2 0 348.487 2.495 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551062 1206126738 /nfs/dbraw/zinc/12/67/38/1206126738.db2.gz DYULUGLTTRVOHO-JUSBFGHESA-N 2 0 341.499 2.339 10 0 EEAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925563629 1206128749 /nfs/dbraw/zinc/12/87/49/1206128749.db2.gz OTCQGSYCQCDDCT-DOPJRALCSA-N 2 0 343.471 2.265 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C12CCC2 ZINC000925573790 1206130630 /nfs/dbraw/zinc/13/06/30/1206130630.db2.gz QNLVZTITXKEKPG-ZKXLYKBJSA-N 2 0 325.456 2.003 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925664777 1206141703 /nfs/dbraw/zinc/14/17/03/1206141703.db2.gz AQVCYDXNCWHOET-RDBSUJKOSA-N 2 0 325.250 2.342 10 0 EEAERP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCOC1 ZINC000925778714 1206153691 /nfs/dbraw/zinc/15/36/91/1206153691.db2.gz KRHRUVGKOSTXCR-NFBUACBFSA-N 2 0 346.471 2.274 10 0 EEAERP C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792776 1206154488 /nfs/dbraw/zinc/15/44/88/1206154488.db2.gz HAGXXZBLWOHGRR-ZBFHGGJFSA-N 2 0 332.444 2.267 10 0 EEAERP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817528 1206157184 /nfs/dbraw/zinc/15/71/84/1206157184.db2.gz PSAXBRVGWZCKQH-FQEVSTJZSA-N 2 0 341.503 2.103 10 0 EEAERP CC[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925837482 1206158731 /nfs/dbraw/zinc/15/87/31/1206158731.db2.gz FKUXMAYKYBYZBI-STQMWFEESA-N 2 0 327.270 2.255 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)CC12CC[NH2+]CC2 ZINC000925848879 1206160022 /nfs/dbraw/zinc/16/00/22/1206160022.db2.gz FBFXDZCGCZKHMS-WBVHZDCISA-N 2 0 330.428 2.045 10 0 EEAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848733 1206160123 /nfs/dbraw/zinc/16/01/23/1206160123.db2.gz JVLMMKDUDRPNFV-KRWDZBQOSA-N 2 0 332.492 2.069 10 0 EEAERP Cc1c([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)C ZINC000925849068 1206160247 /nfs/dbraw/zinc/16/02/47/1206160247.db2.gz HGSJLOYDANJBJR-ZFWWWQNUSA-N 2 0 334.464 2.108 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925854601 1206161423 /nfs/dbraw/zinc/16/14/23/1206161423.db2.gz NHLQXWXVLBZEOD-OCCSQVGLSA-N 2 0 336.407 2.170 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925854612 1206161465 /nfs/dbraw/zinc/16/14/65/1206161465.db2.gz NHLQXWXVLBZEOD-TZMCWYRMSA-N 2 0 336.407 2.170 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000926029336 1206183697 /nfs/dbraw/zinc/18/36/97/1206183697.db2.gz ZFWPXJYDMAQGNP-CVEARBPZSA-N 2 0 348.491 2.384 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cnnn1-c1ccccc1 ZINC000926686912 1206237518 /nfs/dbraw/zinc/23/75/18/1206237518.db2.gz SQSMRULQYLUHJZ-DLBZAZTESA-N 2 0 344.507 2.190 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1cccnc1 ZINC000928827688 1206424814 /nfs/dbraw/zinc/42/48/14/1206424814.db2.gz DHYKWMLAUDITIR-FGTMMUONSA-N 2 0 330.476 2.208 10 0 EEAERP OC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000930682989 1206575627 /nfs/dbraw/zinc/57/56/27/1206575627.db2.gz XIMJDXVOICLSCB-NHCUHLMSSA-N 2 0 346.515 2.496 10 0 EEAERP C[C@@H]1COCC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717991962 1211685093 /nfs/dbraw/zinc/68/50/93/1211685093.db2.gz BONNOJIFMNJWIA-MJGOQNOKSA-N 2 0 332.488 2.418 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)c2ccccc2C)CC1 ZINC000796576063 1221420788 /nfs/dbraw/zinc/42/07/88/1221420788.db2.gz RNEQIYNOTKYSHQ-SFHVURJKSA-N 2 0 327.428 2.254 10 0 EEAERP C[C@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C1CCCC1 ZINC001413065061 1230370327 /nfs/dbraw/zinc/37/03/27/1230370327.db2.gz YGUDYFIQVMRRCS-RXVVDRJESA-N 2 0 345.531 2.428 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724656030 1230676263 /nfs/dbraw/zinc/67/62/63/1230676263.db2.gz KMZQOJMVTJLJBK-LGKHCZOZSA-N 2 0 330.472 2.291 10 0 EEAERP C[C@H]1C[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC000901192339 1235357801 /nfs/dbraw/zinc/35/78/01/1235357801.db2.gz LMVJAQTUTHRNOO-HKUYNNGSSA-N 2 0 341.499 2.499 10 0 EEAERP CS[C@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[C@H]1[NH+](C)C ZINC000901231707 1235424942 /nfs/dbraw/zinc/42/49/42/1235424942.db2.gz WRDCIYPATBQOQE-CVEARBPZSA-N 2 0 346.500 2.408 10 0 EEAERP COc1cc(OC)cc(N2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903445931 1240493378 /nfs/dbraw/zinc/49/33/78/1240493378.db2.gz OGNQJKQRIIVWGW-CVEARBPZSA-N 2 0 333.476 2.343 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000903491939 1240654672 /nfs/dbraw/zinc/65/46/72/1240654672.db2.gz GWGMEJMVLUQTTO-KHYOSLBOSA-N 2 0 341.411 2.054 10 0 EEAERP ClC1(Cl)C[C@@H]1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506941 1240720423 /nfs/dbraw/zinc/72/04/23/1240720423.db2.gz GLQVCIKUHIGQGI-AEGPPILISA-N 2 0 332.319 2.471 10 0 EEAERP c1csc(C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000903718515 1241709327 /nfs/dbraw/zinc/70/93/27/1241709327.db2.gz NZNVOANIRXKWKX-LZLYRXPVSA-N 2 0 336.501 2.498 10 0 EEAERP C(CC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C[NH+]1CCCC1 ZINC000903756938 1241850440 /nfs/dbraw/zinc/85/04/40/1241850440.db2.gz XMLYPFYBUURTER-VQTJNVASSA-N 3 0 335.536 2.343 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccc3cc[nH]c3c2)cnn1C ZINC000903937192 1242581233 /nfs/dbraw/zinc/58/12/33/1242581233.db2.gz DRRNYFRAIVKEEV-MRXNPFEDSA-N 2 0 325.460 2.459 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+][C@H](CO)c2ccc(Br)cc2)CC[NH2+]1 ZINC000903940151 1242603998 /nfs/dbraw/zinc/60/39/98/1242603998.db2.gz YRGDYHQYHBOKSG-LALPHHSUSA-N 2 0 327.266 2.460 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+][C@H](CO)c2ccc(Br)cc2)CC[NH2+]1 ZINC000903940152 1242604013 /nfs/dbraw/zinc/60/40/13/1242604013.db2.gz YRGDYHQYHBOKSG-SLEUVZQESA-N 2 0 327.266 2.460 10 0 EEAERP CCc1noc(C2CCC([NH2+]C[C@H]3C[NH2+]CCC3(F)F)CC2)n1 ZINC000903957975 1242721539 /nfs/dbraw/zinc/72/15/39/1242721539.db2.gz VKPIQADCMZKAJK-OTTFEQOBSA-N 2 0 328.407 2.493 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000903973927 1242810352 /nfs/dbraw/zinc/81/03/52/1242810352.db2.gz JMUJMMRWJTXTKI-IAGOWNOFSA-N 2 0 345.487 2.023 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc3nc(C)sc3c1)C2 ZINC000903977705 1242827118 /nfs/dbraw/zinc/82/71/18/1242827118.db2.gz WVZOGCGKDMFNRQ-IYOUNJFTSA-N 2 0 345.468 2.317 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@H]1CCCO1 ZINC001691744316 1243330861 /nfs/dbraw/zinc/33/08/61/1243330861.db2.gz NDHNFSDOPOCVEL-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474393 1248159272 /nfs/dbraw/zinc/15/92/72/1248159272.db2.gz YFKUHIRUNCKIDO-UKRRQHHQSA-N 2 0 338.883 2.424 10 0 EEAERP CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)C[NH+]1CCCC1 ZINC001276386875 1255742925 /nfs/dbraw/zinc/74/29/25/1255742925.db2.gz QFAQVIWWOBMSRR-UHFFFAOYSA-N 2 0 331.451 2.346 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001490935359 1258491077 /nfs/dbraw/zinc/49/10/77/1258491077.db2.gz UKNMYJINIINQKL-SYQHCUMBSA-N 2 0 333.398 2.193 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001491017200 1258574017 /nfs/dbraw/zinc/57/40/17/1258574017.db2.gz DUIQBLFHNHUNBV-SCTDSRPQSA-N 2 0 345.487 2.175 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001491025960 1258584513 /nfs/dbraw/zinc/58/45/13/1258584513.db2.gz QYCMNGUVJGNPJK-BHYGNILZSA-N 2 0 345.487 2.477 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]C/C(Cl)=C\Cl)C2)CC1 ZINC001491061411 1258622465 /nfs/dbraw/zinc/62/24/65/1258622465.db2.gz JBOGLGLRAPUHBH-IRBPBCMDSA-N 2 0 334.291 2.274 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)[NH+]1CCCC1 ZINC001491083975 1258649881 /nfs/dbraw/zinc/64/98/81/1258649881.db2.gz ZPHQIWAZNDLKHW-OWCLPIDISA-N 2 0 343.462 2.389 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001491361349 1259000500 /nfs/dbraw/zinc/00/05/00/1259000500.db2.gz PUIBBVBZCDUIQU-VYMRPNJYSA-N 2 0 339.524 2.159 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[NH+]1CCCCC1 ZINC000850760250 1277331960 /nfs/dbraw/zinc/33/19/60/1277331960.db2.gz XGBRRFVUTMNOLJ-QAPCUYQASA-N 2 0 346.475 2.343 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)C1(C[NH+](C)C)CC1 ZINC001273575211 1280158127 /nfs/dbraw/zinc/15/81/27/1280158127.db2.gz BYDCBXHQCUGFHJ-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC2(C[NH+](CC3CC3)C2)O1 ZINC001273676694 1283033343 /nfs/dbraw/zinc/03/33/43/1283033343.db2.gz YTPHKQLEQOJFAW-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP c1cnc(NCC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC001201425340 1289577943 /nfs/dbraw/zinc/57/79/43/1289577943.db2.gz RHRIAULPDPYAFW-UHFFFAOYSA-N 2 0 341.459 2.153 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001488736378 1290156911 /nfs/dbraw/zinc/15/69/11/1290156911.db2.gz PSDRFHVGGIAMOM-RFQIPJPRSA-N 2 0 335.414 2.154 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001489286543 1290490906 /nfs/dbraw/zinc/49/09/06/1290490906.db2.gz KPDWMRCMDPXFSS-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1F ZINC001490319300 1291207649 /nfs/dbraw/zinc/20/76/49/1291207649.db2.gz YPOQZVWSQSDMKS-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP COc1cccc(C[N@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)C2CC2)c1 ZINC001490367118 1291248181 /nfs/dbraw/zinc/24/81/81/1291248181.db2.gz MNCNDRNGNXQUAB-IBGZPJMESA-N 2 0 345.487 2.260 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(F)c(F)c1 ZINC001490361087 1291299642 /nfs/dbraw/zinc/29/96/42/1291299642.db2.gz IXDBRZQQQUMXSV-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001490424632 1291336711 /nfs/dbraw/zinc/33/67/11/1291336711.db2.gz FZJYYDBAADXTKA-WMZOPIPTSA-N 2 0 339.524 2.065 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000851847840 1291885644 /nfs/dbraw/zinc/88/56/44/1291885644.db2.gz WCTPZFVQDAYWNT-ZNMIVQPWSA-N 2 0 336.413 2.233 10 0 EEAERP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853246127 1292339964 /nfs/dbraw/zinc/33/99/64/1292339964.db2.gz HBMCGJGQPCNJKQ-ZUIJCZDSSA-N 2 0 341.455 2.183 10 0 EEAERP C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858102768 1294006826 /nfs/dbraw/zinc/00/68/26/1294006826.db2.gz IPYIDLDHOHXMCE-SFHVURJKSA-N 2 0 329.488 2.357 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858500307 1294135145 /nfs/dbraw/zinc/13/51/45/1294135145.db2.gz AFRDFFODTHGXSG-JKSUJKDBSA-N 2 0 343.512 2.190 10 0 EEAERP c1c(C2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000886841098 1296775523 /nfs/dbraw/zinc/77/55/23/1296775523.db2.gz BXWOSSXGIVVREY-PXNSSMCTSA-N 2 0 344.503 2.483 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491110471 1299594961 /nfs/dbraw/zinc/59/49/61/1299594961.db2.gz HJHSVYKHTIFJMT-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001277046363 1301008205 /nfs/dbraw/zinc/00/82/05/1301008205.db2.gz PEUQEJWHGVIKBC-BZUAXINKSA-N 2 0 335.517 2.117 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCCCCF)C3)C2)CC[N@@H+]1C ZINC001277516851 1303813069 /nfs/dbraw/zinc/81/30/69/1303813069.db2.gz PLQFLMSIRLSHPC-ZHALLVOQSA-N 2 0 339.499 2.391 10 0 EEAERP CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001277696386 1304205730 /nfs/dbraw/zinc/20/57/30/1304205730.db2.gz WVHBCBKGFWSTNH-QAPCUYQASA-N 2 0 345.478 2.385 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001277955822 1305296921 /nfs/dbraw/zinc/29/69/21/1305296921.db2.gz CBQQSRYHORMTDP-VQIMIIECSA-N 2 0 347.503 2.103 10 0 EEAERP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398026 1315907324 /nfs/dbraw/zinc/90/73/24/1315907324.db2.gz RWJILUVTNRBJLI-HOTGVXAUSA-N 2 0 343.512 2.190 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)c3c[nH+]ccc3N)cc2)CC1 ZINC000843492336 1315922685 /nfs/dbraw/zinc/92/26/85/1315922685.db2.gz QBNYTOIITSBARW-UHFFFAOYSA-N 2 0 339.443 2.277 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001278681264 1317686870 /nfs/dbraw/zinc/68/68/70/1317686870.db2.gz BUORSNQABNSYFU-FUHWJXTLSA-N 2 0 336.480 2.089 10 0 EEAERP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001278711520 1317824439 /nfs/dbraw/zinc/82/44/39/1317824439.db2.gz SRWSYIJSIZZHJL-KRWDZBQOSA-N 2 0 339.524 2.306 10 0 EEAERP CCN(C)[C@H](C(=O)OCCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529788 1322488497 /nfs/dbraw/zinc/48/84/97/1322488497.db2.gz QHTRBDFZBTXOMD-AEFFLSMTSA-N 2 0 334.460 2.333 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001264039432 1322596118 /nfs/dbraw/zinc/59/61/18/1322596118.db2.gz VHZMMMCXDCHNHY-KBPBESRZSA-N 2 0 349.441 2.497 10 0 EEAERP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001264518743 1322722589 /nfs/dbraw/zinc/72/25/89/1322722589.db2.gz WKVCQVWLWPKXFZ-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001264675403 1322777984 /nfs/dbraw/zinc/77/79/84/1322777984.db2.gz DBZXVEHUKIZXQW-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CO[C@H](C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ccccc1 ZINC001264987676 1322835942 /nfs/dbraw/zinc/83/59/42/1322835942.db2.gz HLNOPFZVTBTJED-BHIYHBOVSA-N 2 0 347.503 2.152 10 0 EEAERP O=C(NCCC[N@@H+](CCCF)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001265177616 1322969315 /nfs/dbraw/zinc/96/93/15/1322969315.db2.gz YZTOYYQZTJHVTP-SJORKVTESA-N 2 0 325.472 2.334 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001265430603 1323151646 /nfs/dbraw/zinc/15/16/46/1323151646.db2.gz BFDNEMDKGOEHGA-YZGWKJHDSA-N 2 0 343.515 2.458 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001265571613 1323225695 /nfs/dbraw/zinc/22/56/95/1323225695.db2.gz USPYICNFYRXSHP-YESZJQIVSA-N 2 0 339.524 2.018 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265609256 1323263267 /nfs/dbraw/zinc/26/32/67/1323263267.db2.gz LOEASPJMERGKDK-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1nocc1C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266074050 1323628171 /nfs/dbraw/zinc/62/81/71/1323628171.db2.gz RWVMKNQZABYBMU-KRWDZBQOSA-N 2 0 336.480 2.050 10 0 EEAERP COCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001266103466 1323667678 /nfs/dbraw/zinc/66/76/78/1323667678.db2.gz RDDVIQUWGSTHGQ-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001266214274 1323781698 /nfs/dbraw/zinc/78/16/98/1323781698.db2.gz BZEPNURBAWTRPZ-BPQIPLTHSA-N 2 0 348.491 2.184 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001279582209 1323946574 /nfs/dbraw/zinc/94/65/74/1323946574.db2.gz MWKLHTJUHPAZJJ-RBUKOAKNSA-N 2 0 349.519 2.178 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001279588755 1323949850 /nfs/dbraw/zinc/94/98/50/1323949850.db2.gz UOWPOAIDRIHDSZ-OKZBNKHCSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC001276552489 1324275406 /nfs/dbraw/zinc/27/54/06/1324275406.db2.gz JJWOWSKQACPPGR-OIFJWEAHSA-N 2 0 327.472 2.278 10 0 EEAERP CCCCCC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001281782741 1325453782 /nfs/dbraw/zinc/45/37/82/1325453782.db2.gz RGDWIDSQWHRPCI-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001282734758 1325775233 /nfs/dbraw/zinc/77/52/33/1325775233.db2.gz HLBAFJLFDHNALP-ZDUSSCGKSA-N 2 0 349.441 2.497 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](CC1=CCCCC1)CCO2 ZINC001282780357 1325784546 /nfs/dbraw/zinc/78/45/46/1325784546.db2.gz AGXXZCURWLKGNY-HXUWFJFHSA-N 2 0 349.519 2.132 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001282914808 1325833161 /nfs/dbraw/zinc/83/31/61/1325833161.db2.gz LNZOJHSVIFLFKL-IRXDYDNUSA-N 2 0 337.508 2.033 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccsc1 ZINC001283613629 1326162944 /nfs/dbraw/zinc/16/29/44/1326162944.db2.gz YQWFCAZSRVXKHL-CRAIPNDOSA-N 2 0 349.544 2.459 10 0 EEAERP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCF)[C@H]3C2)CC1 ZINC001284094882 1326403799 /nfs/dbraw/zinc/40/37/99/1326403799.db2.gz BSURUASSZHBWJH-OKZBNKHCSA-N 2 0 339.499 2.295 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001284641755 1326643815 /nfs/dbraw/zinc/64/38/15/1326643815.db2.gz LAFXHKWEYQBXCG-KRWDZBQOSA-N 2 0 341.540 2.264 10 0 EEAERP COCc1cccc(C[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001284960118 1326797046 /nfs/dbraw/zinc/79/70/46/1326797046.db2.gz QHDDYVQVOHAPPE-UHFFFAOYSA-N 2 0 345.487 2.033 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCc1ccccc1Cl ZINC001491581088 1330172518 /nfs/dbraw/zinc/17/25/18/1330172518.db2.gz ZKNXHTZHOCQFTQ-LSDHHAIUSA-N 2 0 337.895 2.319 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001491685754 1330205649 /nfs/dbraw/zinc/20/56/49/1330205649.db2.gz YXFXZLXQSJPQIW-QAPCUYQASA-N 2 0 347.503 2.472 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cc(C)ccc2F)C1 ZINC001491846702 1330272666 /nfs/dbraw/zinc/27/26/66/1330272666.db2.gz XYVFYACNVXQXST-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001491808059 1330277557 /nfs/dbraw/zinc/27/75/57/1330277557.db2.gz HBNQRRQDPTUTOM-GOEBONIOSA-N 2 0 341.496 2.366 10 0 EEAERP COCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001316670522 1330450162 /nfs/dbraw/zinc/45/01/62/1330450162.db2.gz PDFUIQGHMVCOHY-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1Cc1cncs1)C12CC[NH+](CC1)C2 ZINC001492176043 1331054952 /nfs/dbraw/zinc/05/49/52/1331054952.db2.gz QHKOVTURNSOLII-OAHLLOKOSA-N 2 0 348.516 2.100 10 0 EEAERP Cc1cnc([C@@H](C)[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001316824795 1331915545 /nfs/dbraw/zinc/91/55/45/1331915545.db2.gz MCUUCCMFPMVODD-AEFFLSMTSA-N 2 0 347.507 2.157 10 0 EEAERP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001316877628 1331945759 /nfs/dbraw/zinc/94/57/59/1331945759.db2.gz SJKYQCJQNGQWOD-RDTXWAMCSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316880487 1331947490 /nfs/dbraw/zinc/94/74/90/1331947490.db2.gz PNIBWRYTLQQGEB-SJORKVTESA-N 2 0 327.513 2.111 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1cccnc1C ZINC001316893231 1331959701 /nfs/dbraw/zinc/95/97/01/1331959701.db2.gz NVPYYGPHNWBCBC-LJQANCHMSA-N 2 0 344.503 2.060 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCC(F)(F)F)CC[N@@H+]1C ZINC001317186537 1332121036 /nfs/dbraw/zinc/12/10/36/1332121036.db2.gz RKZXKBMVGYLLBV-HZSPNIEDSA-N 2 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ZINC001569730769 1342935912 /nfs/dbraw/zinc/93/59/12/1342935912.db2.gz SZUQHQYZIUGFIM-MSOLQXFVSA-N 2 0 349.519 2.225 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001570256777 1343043554 /nfs/dbraw/zinc/04/35/54/1343043554.db2.gz UELUDGFSMSKIQH-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001571567003 1343239823 /nfs/dbraw/zinc/23/98/23/1343239823.db2.gz DXKCODFSYANFCE-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1csc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001676767216 1357196489 /nfs/dbraw/zinc/19/64/89/1357196489.db2.gz MZJMRHQQLKIQHN-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001676852896 1357220513 /nfs/dbraw/zinc/22/05/13/1357220513.db2.gz FZNODQZELIMVPL-OKZBNKHCSA-N 2 0 339.499 2.439 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCOC)C(C)(C)C1 ZINC001677042308 1357267369 /nfs/dbraw/zinc/26/73/69/1357267369.db2.gz BNKUGCXDWLCFJM-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NCC1=CC[NH+](CCOC)CC1)c1ccccc1 ZINC001677621793 1357374985 /nfs/dbraw/zinc/37/49/85/1357374985.db2.gz XGVQFRPLRYWVEV-LJQANCHMSA-N 2 0 345.487 2.074 10 0 EEAERP CCCCCC[C@@](O)(C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC ZINC001644682488 1352766130 /nfs/dbraw/zinc/76/61/30/1352766130.db2.gz RRHIJOIODRSBEQ-FUHWJXTLSA-N 2 0 328.497 2.135 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001649315815 1353475473 /nfs/dbraw/zinc/47/54/73/1353475473.db2.gz ZTSNYJLJPUQVTG-RCCFBDPRSA-N 2 0 336.524 2.090 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(F)(F)CC[C@@H]1C ZINC001650542238 1353982113 /nfs/dbraw/zinc/98/21/13/1353982113.db2.gz GUMUYLQXMKYJND-KBPBESRZSA-N 2 0 334.455 2.088 10 0 EEAERP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001650613974 1354023964 /nfs/dbraw/zinc/02/39/64/1354023964.db2.gz YDIVDKACKSHFOX-QZTJIDSGSA-N 2 0 328.460 2.184 10 0 EEAERP c1nscc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001656029260 1354194341 /nfs/dbraw/zinc/19/43/41/1354194341.db2.gz HHIGPJHKEDDFAV-UHFFFAOYSA-N 2 0 330.501 2.441 10 0 EEAERP O=C(N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001656839732 1354282957 /nfs/dbraw/zinc/28/29/57/1354282957.db2.gz KVFZXCHFUYTCPJ-SJORKVTESA-N 2 0 337.483 2.002 10 0 EEAERP COC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001660277584 1354429640 /nfs/dbraw/zinc/42/96/40/1354429640.db2.gz IBNJMBWBSHORFF-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)C[C@H]1CCCOC1 ZINC001660322997 1354440067 /nfs/dbraw/zinc/44/00/67/1354440067.db2.gz YZMLOXLUYVIVTH-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC001660400426 1354457589 /nfs/dbraw/zinc/45/75/89/1354457589.db2.gz TVOAWGHMGJTFDB-QAPCUYQASA-N 2 0 333.451 2.203 10 0 EEAERP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](CCF)C1 ZINC001662018442 1354743054 /nfs/dbraw/zinc/74/30/54/1354743054.db2.gz STYDGRVQHSLXFN-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001662838571 1354858927 /nfs/dbraw/zinc/85/89/27/1354858927.db2.gz FEAHDYDDQTXWLV-QGZVFWFLSA-N 2 0 349.523 2.171 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001663113347 1354918130 /nfs/dbraw/zinc/91/81/30/1354918130.db2.gz AWOIRPDOMYBZQF-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665065092 1355271115 /nfs/dbraw/zinc/27/11/15/1355271115.db2.gz ZSWHWRWTNAPDMJ-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NC1(C[NH2+]CCC(F)(F)F)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001665921675 1355409450 /nfs/dbraw/zinc/40/94/50/1355409450.db2.gz RQFHOHRSLJQBPW-AWEZNQCLSA-N 2 0 347.425 2.299 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001666218970 1355487589 /nfs/dbraw/zinc/48/75/89/1355487589.db2.gz ITQFJHHOGVGVBK-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001666223303 1355488211 /nfs/dbraw/zinc/48/82/11/1355488211.db2.gz HNBAEORQUCJPPM-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cncc(C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001666239977 1355492596 /nfs/dbraw/zinc/49/25/96/1355492596.db2.gz FEDZXEIOGKEKHQ-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001666291236 1355503846 /nfs/dbraw/zinc/50/38/46/1355503846.db2.gz ULDGRCKWLPAJIX-XLAORIBOSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001666947298 1355619721 /nfs/dbraw/zinc/61/97/21/1355619721.db2.gz DWNXRVKGQUUQIT-OAHLLOKOSA-N 2 0 327.432 2.284 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001666993016 1355629592 /nfs/dbraw/zinc/62/95/92/1355629592.db2.gz XWCHVCRQJUGURC-ZWKOTPCHSA-N 2 0 331.504 2.316 10 0 EEAERP COc1ccc(CC[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001668197489 1355897373 /nfs/dbraw/zinc/89/73/73/1355897373.db2.gz OUEKVAJKDFDGEQ-INIZCTEOSA-N 2 0 347.503 2.064 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668884235 1356035444 /nfs/dbraw/zinc/03/54/44/1356035444.db2.gz YUNKCUVROBCOGJ-TWZRTHNCSA-N 2 0 346.475 2.070 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001669020634 1356068808 /nfs/dbraw/zinc/06/88/08/1356068808.db2.gz GSMFECWCUHLYJO-PXPVJAHISA-N 2 0 327.472 2.278 10 0 EEAERP C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccns1)[NH+]1CCCCCC1 ZINC001669075168 1356085145 /nfs/dbraw/zinc/08/51/45/1356085145.db2.gz LQNJJBSNZZSYQF-XVWMLYKFSA-N 2 0 336.505 2.170 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669639320 1356188257 /nfs/dbraw/zinc/18/82/57/1356188257.db2.gz OEEPGEPUMMJJEI-AVGNSLFASA-N 2 0 336.307 2.149 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001670245769 1356302646 /nfs/dbraw/zinc/30/26/46/1356302646.db2.gz CWAMJMATEHPBRQ-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C)s1 ZINC001670357291 1356325837 /nfs/dbraw/zinc/32/58/37/1356325837.db2.gz AHGAEQNXXHINBT-UHFFFAOYSA-N 2 0 326.510 2.038 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692121489 1404984688 /nfs/dbraw/zinc/98/46/88/1404984688.db2.gz UBLXPFMTKWDHMK-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001698856515 1405113715 /nfs/dbraw/zinc/11/37/15/1405113715.db2.gz LFCYGPVGMYUWPG-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001699111246 1405267044 /nfs/dbraw/zinc/26/70/44/1405267044.db2.gz ZAONKGDUVMAXJV-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2)CC1 ZINC001699316054 1405331960 /nfs/dbraw/zinc/33/19/60/1405331960.db2.gz WLMUCNXEYKVXMW-NSCUHMNNSA-N 2 0 333.451 2.320 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCCCO1 ZINC001699553676 1405393038 /nfs/dbraw/zinc/39/30/38/1405393038.db2.gz FNXGQOOVZNPCNG-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001699765568 1405473877 /nfs/dbraw/zinc/47/38/77/1405473877.db2.gz IHMYTNAJHROYFX-CVEARBPZSA-N 2 0 343.462 2.488 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1 ZINC000921330973 773275028 /nfs/dbraw/zinc/27/50/28/773275028.db2.gz TUMUSKZQVMNRMJ-SQNIBIBYSA-N 2 0 347.507 2.246 10 0 EEAERP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806182 777281731 /nfs/dbraw/zinc/28/17/31/777281731.db2.gz BDMAXRGPFLFWGY-DLBZAZTESA-N 2 0 330.538 2.492 10 0 EEAERP CN(CCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000705975222 784913065 /nfs/dbraw/zinc/91/30/65/784913065.db2.gz KXRJWNNGRBVIKB-HOTGVXAUSA-N 2 0 341.496 2.086 10 0 EEAERP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1 ZINC000819015188 785383138 /nfs/dbraw/zinc/38/31/38/785383138.db2.gz DYZMDVMPRASLHS-IBGZPJMESA-N 2 0 347.434 2.374 10 0 EEAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@]2(C)C1 ZINC000913276293 788752890 /nfs/dbraw/zinc/75/28/90/788752890.db2.gz HOCOZWJPPKXUME-CEWLAPEOSA-N 2 0 341.499 2.309 10 0 EEAERP CC(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C ZINC000913437750 788874584 /nfs/dbraw/zinc/87/45/84/788874584.db2.gz TUZWJJAOFWLHMJ-QZTJIDSGSA-N 2 0 345.487 2.009 10 0 EEAERP O=C1N[C@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923381209 789463649 /nfs/dbraw/zinc/46/36/49/789463649.db2.gz SIOPTXNEWPZCDY-ROUUACIJSA-N 2 0 346.519 2.177 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCc1nc(-c3ccccc3)no1)CC2 ZINC000923448688 789561823 /nfs/dbraw/zinc/56/18/23/789561823.db2.gz GEEDEMISXBYSMA-MRXNPFEDSA-N 2 0 342.443 2.109 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000923441438 789567880 /nfs/dbraw/zinc/56/78/80/789567880.db2.gz LEHZRMYHDHXIGU-ZDUSSCGKSA-N 2 0 340.370 2.338 10 0 EEAERP Cc1ccc(Nc2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)cc1 ZINC000923463368 789601599 /nfs/dbraw/zinc/60/15/99/789601599.db2.gz RGOFAXSABJPFHY-UHFFFAOYSA-N 2 0 331.489 2.190 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)[NH+]2CCCC2)o1 ZINC000915978038 797465206 /nfs/dbraw/zinc/46/52/06/797465206.db2.gz QDKGGWKYOHMDOL-XHSDSOJGSA-N 2 0 334.464 2.117 10 0 EEAERP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3c[nH]nc3c1)C2 ZINC000922385418 800940208 /nfs/dbraw/zinc/94/02/08/800940208.db2.gz BKKQJEXZTTWSFB-NCXUSEDFSA-N 2 0 328.460 2.132 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182567962 801247845 /nfs/dbraw/zinc/24/78/45/801247845.db2.gz BSAJAFBMXYBHDP-CQSZACIVSA-N 2 0 334.383 2.127 10 0 EEAERP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000922847803 802054556 /nfs/dbraw/zinc/05/45/56/802054556.db2.gz FHJJYCMYKHHMGY-UHFFFAOYSA-N 2 0 331.460 2.047 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1CC[NH2+]CCF ZINC001565943026 1125468652 /nfs/dbraw/zinc/46/86/52/1125468652.db2.gz KIYDQLHFPDWUTR-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001566052620 1125526631 /nfs/dbraw/zinc/52/66/31/1125526631.db2.gz FKGUWLPGNBKWEN-BSMJBHPZSA-N 2 0 333.520 2.465 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130692 1125582963 /nfs/dbraw/zinc/58/29/63/1125582963.db2.gz BAOIQPWMLYDWQO-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCc1cccs1 ZINC001436480350 1087960130 /nfs/dbraw/zinc/96/01/30/1087960130.db2.gz HVGDNPQVSAUUHP-PBHICJAKSA-N 2 0 335.517 2.354 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001436824311 1088426236 /nfs/dbraw/zinc/42/62/36/1088426236.db2.gz CSUOGEMIIMEMFO-OCCSQVGLSA-N 2 0 341.908 2.338 10 0 EEAERP CCc1nocc1C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001436832995 1088449555 /nfs/dbraw/zinc/44/95/55/1088449555.db2.gz MSVDNWXIUCSBJX-MSOLQXFVSA-N 2 0 348.491 2.096 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001436904851 1088558255 /nfs/dbraw/zinc/55/82/55/1088558255.db2.gz VDZBKWRRCSRWDS-KNUKWFNTSA-N 2 0 334.291 2.417 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1 ZINC001437370593 1089609271 /nfs/dbraw/zinc/60/92/71/1089609271.db2.gz HBGJSOVJOZBDDN-KBXCAEBGSA-N 2 0 333.451 2.152 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCc2ccccc21 ZINC001437595943 1090101245 /nfs/dbraw/zinc/10/12/45/1090101245.db2.gz ZDNITMRRTXGXRZ-WOJBJXKFSA-N 2 0 341.499 2.454 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCc1ccccc1F ZINC001437693368 1090236317 /nfs/dbraw/zinc/23/63/17/1090236317.db2.gz FSDBOJNPRVWIHT-KRWDZBQOSA-N 2 0 335.467 2.289 10 0 EEAERP Cc1nc(C[NH+]2CC[C@@H](CCNC(=O)[C@H]3CCCC[N@H+]3C)C2)oc1C ZINC001437925762 1090518842 /nfs/dbraw/zinc/51/88/42/1090518842.db2.gz BLKYLSHJSJUKCL-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001438266740 1090749425 /nfs/dbraw/zinc/74/94/25/1090749425.db2.gz NYYBRCUCLATRDL-QFBILLFUSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001438304135 1090783315 /nfs/dbraw/zinc/78/33/15/1090783315.db2.gz MLHRDGPKIMOPMF-QZTJIDSGSA-N 2 0 347.478 2.194 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001438556242 1091049170 /nfs/dbraw/zinc/04/91/70/1091049170.db2.gz QAHYDKIKHKZVKS-KDOFPFPSSA-N 2 0 333.451 2.251 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001445436040 1091195495 /nfs/dbraw/zinc/19/54/95/1091195495.db2.gz RKWNMJGIKBPCMS-HUUCEWRRSA-N 2 0 333.476 2.192 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)sn1 ZINC001445470960 1091244149 /nfs/dbraw/zinc/24/41/49/1091244149.db2.gz SUEXCHXKLCSYND-CQSZACIVSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CC[N@H+](C)C2)s1 ZINC001438738673 1091288271 /nfs/dbraw/zinc/28/82/71/1091288271.db2.gz YAAMEDZVSAVSEW-HUUCEWRRSA-N 2 0 338.521 2.024 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001445557002 1091328882 /nfs/dbraw/zinc/32/88/82/1091328882.db2.gz IGHYKOXFRZQVSH-LPHOPBHVSA-N 2 0 344.503 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001438764496 1091338283 /nfs/dbraw/zinc/33/82/83/1091338283.db2.gz FCNLJWPQIJJRPX-CRAIPNDOSA-N 2 0 335.467 2.493 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCOCC1 ZINC001438800068 1091405892 /nfs/dbraw/zinc/40/58/92/1091405892.db2.gz GCHSRBJQKPHPJH-ROUUACIJSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCOCC1 ZINC001438800072 1091406063 /nfs/dbraw/zinc/40/60/63/1091406063.db2.gz GCHSRBJQKPHPJH-ZWKOTPCHSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H](C[NH2+]Cc1sccc1Br)NC(=O)CC[NH+](C)C ZINC001445615237 1091410159 /nfs/dbraw/zinc/41/01/59/1091410159.db2.gz QSPBLMBAZAACDA-JTQLQIEISA-N 2 0 348.310 2.057 10 0 EEAERP C[C@H](C[N@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445785282 1091651782 /nfs/dbraw/zinc/65/17/82/1091651782.db2.gz ZHHGJIZWLPJIQY-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)Cc2cncn2C)CC1)c1ccccc1F ZINC001446266695 1092411909 /nfs/dbraw/zinc/41/19/09/1092411909.db2.gz LXHHHAZWHYQEJQ-CYBMUJFWSA-N 2 0 330.407 2.101 10 0 EEAERP CC(C)OCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001446328570 1092529045 /nfs/dbraw/zinc/52/90/45/1092529045.db2.gz KBMCHAMTLAJYLG-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccc(CF)cc3)CC2)C1 ZINC001439662123 1092598238 /nfs/dbraw/zinc/59/82/38/1092598238.db2.gz RIATWFSQUXFZMW-QGZVFWFLSA-N 2 0 333.451 2.236 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)nsc1C ZINC001439783697 1092740068 /nfs/dbraw/zinc/74/00/68/1092740068.db2.gz LYZUQQOXOLPRRZ-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)n1 ZINC001439820066 1092805624 /nfs/dbraw/zinc/80/56/24/1092805624.db2.gz XOVWTIMJWYKXAN-HNNXBMFYSA-N 2 0 338.521 2.168 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CCCC1 ZINC001439821741 1092808504 /nfs/dbraw/zinc/80/85/04/1092808504.db2.gz UTINOYZXNVSIQD-HOTGVXAUSA-N 2 0 336.505 2.002 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](Cc1ncccc1C)CC2 ZINC001440240354 1093327167 /nfs/dbraw/zinc/32/71/67/1093327167.db2.gz NUSMBWYABUQBNP-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001440342839 1093491745 /nfs/dbraw/zinc/49/17/45/1093491745.db2.gz QJTVYWGUSZDTHM-HYLXBKALSA-N 2 0 325.884 2.240 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ocnc1C)C1CC1 ZINC001448591810 1093650914 /nfs/dbraw/zinc/65/09/14/1093650914.db2.gz ZXYDDUIGHQUJRA-IRXDYDNUSA-N 2 0 348.491 2.184 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1scnc1C ZINC001448787320 1093866305 /nfs/dbraw/zinc/86/63/05/1093866305.db2.gz ZSAWJNLFRCXCAZ-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001441143209 1094480662 /nfs/dbraw/zinc/48/06/62/1094480662.db2.gz DDIJQAGMYHRREJ-YOEHRIQHSA-N 2 0 327.488 2.293 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC001441201183 1094561602 /nfs/dbraw/zinc/56/16/02/1094561602.db2.gz LRBFXGCJGQPLRU-RBUKOAKNSA-N 2 0 344.503 2.249 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC2(C)C)CC1 ZINC001441244710 1094632829 /nfs/dbraw/zinc/63/28/29/1094632829.db2.gz BPCJTESHBMZRHR-CQSZACIVSA-N 2 0 343.462 2.200 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001441350265 1094862611 /nfs/dbraw/zinc/86/26/11/1094862611.db2.gz FHKYMSHTVJJBAT-KZNAEPCWSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001441365947 1094891261 /nfs/dbraw/zinc/89/12/61/1094891261.db2.gz OGJWVHDGDYZBTI-SAABIXHNSA-N 2 0 348.491 2.234 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC001441662072 1095628716 /nfs/dbraw/zinc/62/87/16/1095628716.db2.gz VYXAWIRNEPCGBY-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1cccc(F)c1 ZINC001441871729 1095986354 /nfs/dbraw/zinc/98/63/54/1095986354.db2.gz SYSJAOFBWVVGNU-HNNXBMFYSA-N 2 0 333.451 2.296 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001441874967 1095992361 /nfs/dbraw/zinc/99/23/61/1095992361.db2.gz MUMIYBASXPYCCR-LPHOPBHVSA-N 2 0 347.503 2.410 10 0 EEAERP CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001441878200 1096002404 /nfs/dbraw/zinc/00/24/04/1096002404.db2.gz RMCAJTPQIDSCJH-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441955840 1096156947 /nfs/dbraw/zinc/15/69/47/1096156947.db2.gz WQOYEDHRYXXDDO-CABCVRRESA-N 2 0 328.460 2.104 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001442141292 1096389494 /nfs/dbraw/zinc/38/94/94/1096389494.db2.gz MBKBKMCFEKDNPA-JFIYKMOQSA-N 2 0 346.519 2.351 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC001442213409 1096504862 /nfs/dbraw/zinc/50/48/62/1096504862.db2.gz MFXDQQXTOVUIFH-CABCVRRESA-N 2 0 331.451 2.296 10 0 EEAERP Cc1ccc(C[NH+]2CCC([C@H](C)NC(=O)CC[NH+](C)C)CC2)c(C)n1 ZINC001442225317 1096523517 /nfs/dbraw/zinc/52/35/17/1096523517.db2.gz VNAPOUMJCKPZPS-INIZCTEOSA-N 2 0 346.519 2.367 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001442255639 1096556979 /nfs/dbraw/zinc/55/69/79/1096556979.db2.gz AZEWVCGCGYAZMK-UHFFFAOYSA-N 2 0 346.519 2.173 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1C ZINC001442263461 1096567387 /nfs/dbraw/zinc/56/73/87/1096567387.db2.gz ZIZBQHUSILXTQB-JFIYKMOQSA-N 2 0 347.503 2.328 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](CC4CCC4)CC3)CC2)C1 ZINC001442274080 1096581324 /nfs/dbraw/zinc/58/13/24/1096581324.db2.gz BMBYYACJETXMMH-MRXNPFEDSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(O)ccc1Cl ZINC001442338460 1096661027 /nfs/dbraw/zinc/66/10/27/1096661027.db2.gz MUPFSOUTCVTVTG-CYBMUJFWSA-N 2 0 339.867 2.126 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001442799205 1097179713 /nfs/dbraw/zinc/17/97/13/1097179713.db2.gz JGUZXEYIEHGEMY-LJQANCHMSA-N 2 0 346.519 2.175 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1)[NH+](C)C ZINC001442862864 1097256727 /nfs/dbraw/zinc/25/67/27/1097256727.db2.gz KPESNNQIQHUJNZ-QZTJIDSGSA-N 2 0 347.503 2.282 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001443187602 1097630559 /nfs/dbraw/zinc/63/05/59/1097630559.db2.gz XPWILIJCVRSAPU-BHIYHBOVSA-N 2 0 344.503 2.235 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)cc1C ZINC001443239518 1097705879 /nfs/dbraw/zinc/70/58/79/1097705879.db2.gz GWSIWCXBCAXLKM-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001443260476 1097738991 /nfs/dbraw/zinc/73/89/91/1097738991.db2.gz HUNLTMYREASBGJ-KGLIPLIRSA-N 2 0 335.414 2.109 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443873468 1098399321 /nfs/dbraw/zinc/39/93/21/1098399321.db2.gz FGODNUQKVYMUPN-LJQANCHMSA-N 2 0 331.504 2.492 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1nccs1 ZINC001444001610 1098515922 /nfs/dbraw/zinc/51/59/22/1098515922.db2.gz IRFCKDPGYFKICA-CABCVRRESA-N 2 0 338.521 2.390 10 0 EEAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]Cc1ccc(C)cc1 ZINC001444015106 1098532760 /nfs/dbraw/zinc/53/27/60/1098532760.db2.gz IJCDSOGYRFUCBB-ICSRJNTNSA-N 2 0 329.488 2.465 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001479525984 1098591623 /nfs/dbraw/zinc/59/16/23/1098591623.db2.gz OFBSVIGZSDVFOH-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001444173182 1098724451 /nfs/dbraw/zinc/72/44/51/1098724451.db2.gz UEXCFUDIGPRLIS-LNLFQRSKSA-N 2 0 344.503 2.473 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001479707688 1098784263 /nfs/dbraw/zinc/78/42/63/1098784263.db2.gz GGQUNKSUBWUWOE-YUELXQCFSA-N 2 0 349.441 2.291 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001479715430 1098795719 /nfs/dbraw/zinc/79/57/19/1098795719.db2.gz YIRGDOGIXVCAGI-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC001479776264 1098956638 /nfs/dbraw/zinc/95/66/38/1098956638.db2.gz RCJSIJJRBQEMFG-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC001479805298 1099045403 /nfs/dbraw/zinc/04/54/03/1099045403.db2.gz BNXLMSMLKIVHKR-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCc2ccccc21 ZINC001479809266 1099062813 /nfs/dbraw/zinc/06/28/13/1099062813.db2.gz WASBSPMASIXXQI-SFHVURJKSA-N 2 0 327.472 2.208 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cnccc1C ZINC001479859501 1099166882 /nfs/dbraw/zinc/16/68/82/1099166882.db2.gz HHEBAEDDSJFBFD-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c1 ZINC001480009204 1099480888 /nfs/dbraw/zinc/48/08/88/1099480888.db2.gz WKMZQAFQJFBWSM-MOPGFXCFSA-N 2 0 329.488 2.382 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C1)c1ccccc1F ZINC001480207969 1099812648 /nfs/dbraw/zinc/81/26/48/1099812648.db2.gz QASCIBXXOBILNW-AEGPPILISA-N 2 0 330.407 2.479 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)C)on1 ZINC001444874511 1099884730 /nfs/dbraw/zinc/88/47/30/1099884730.db2.gz PNAUFTRTASMWCZ-IRXDYDNUSA-N 2 0 336.480 2.086 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCCOC)C1 ZINC001480272073 1099979751 /nfs/dbraw/zinc/97/97/51/1099979751.db2.gz OSEJVERKRNEQTR-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001480293379 1100006676 /nfs/dbraw/zinc/00/66/76/1100006676.db2.gz OAIMDYFGCUNHJX-IRXDYDNUSA-N 2 0 327.488 2.296 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480294431 1100009267 /nfs/dbraw/zinc/00/92/67/1100009267.db2.gz IKALRRSXVYZVDQ-HNNXBMFYSA-N 2 0 336.480 2.078 10 0 EEAERP Cc1cncc(C[NH+]2CCCC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001480330089 1100084749 /nfs/dbraw/zinc/08/47/49/1100084749.db2.gz CEDDNYQTKCCOPU-MJGOQNOKSA-N 2 0 344.503 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ocnc2C)C1 ZINC001480386034 1100184778 /nfs/dbraw/zinc/18/47/78/1100184778.db2.gz JHAOQQGZFFLMDM-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001480388248 1100190545 /nfs/dbraw/zinc/19/05/45/1100190545.db2.gz WQMYHWPAGVWUKC-NVXWUHKLSA-N 2 0 348.466 2.033 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]C/C(Cl)=C\Cl)C12CC[NH+](CC1)C2 ZINC001445100277 1100330529 /nfs/dbraw/zinc/33/05/29/1100330529.db2.gz AOFPCDVYPQYTOX-ZMCCTTKHSA-N 2 0 346.302 2.276 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cncs1)C1CCC1 ZINC001445104189 1100336064 /nfs/dbraw/zinc/33/60/64/1100336064.db2.gz CRUVTVLWTKJZGC-CJNGLKHVSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001445103946 1100337999 /nfs/dbraw/zinc/33/79/99/1100337999.db2.gz DDACFKFZAKWJGD-IAGOWNOFSA-N 2 0 348.491 2.234 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1nc(C)oc1C ZINC001445105771 1100341490 /nfs/dbraw/zinc/34/14/90/1100341490.db2.gz HMVZCXWYXNOXGO-CVEARBPZSA-N 2 0 336.480 2.008 10 0 EEAERP CCCOc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001480590160 1100438891 /nfs/dbraw/zinc/43/88/91/1100438891.db2.gz HRMWTLWDDMHPPA-NVXWUHKLSA-N 2 0 333.476 2.021 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001445317042 1100551404 /nfs/dbraw/zinc/55/14/04/1100551404.db2.gz OHIAHCMPZKCQOK-HOCLYGCPSA-N 2 0 349.523 2.308 10 0 EEAERP O=C(NC1(C[NH2+]Cc2nccs2)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001495160235 1100831541 /nfs/dbraw/zinc/83/15/41/1100831541.db2.gz DZHRRZWZYLVKNS-OAHLLOKOSA-N 2 0 348.516 2.004 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2csc(Cl)n2)CCN1C(=O)CC[NH+](C)C ZINC001446443666 1100865131 /nfs/dbraw/zinc/86/51/31/1100865131.db2.gz NHSBMNUJQGPJOH-RYUDHWBXSA-N 2 0 344.912 2.217 10 0 EEAERP CC(C)C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001496296822 1100883421 /nfs/dbraw/zinc/88/34/21/1100883421.db2.gz RNXBGQYWMQAMRS-FWLFOBHPSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001446554042 1101026514 /nfs/dbraw/zinc/02/65/14/1101026514.db2.gz DRJZLANZRHLRAC-YLJYHZDGSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001446560201 1101040980 /nfs/dbraw/zinc/04/09/80/1101040980.db2.gz MKGYAEHOTKXPSP-LJQANCHMSA-N 2 0 349.523 2.195 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496477705 1101069321 /nfs/dbraw/zinc/06/93/21/1101069321.db2.gz AJHYCMGEAFYTEW-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)s1 ZINC001496481073 1101071624 /nfs/dbraw/zinc/07/16/24/1101071624.db2.gz NDMITCVNWLYJGA-CZUORRHYSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001446597928 1101091647 /nfs/dbraw/zinc/09/16/47/1101091647.db2.gz BRHOQARNALEHFH-HXUWFJFHSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]C[C@H]1CCOC1 ZINC001496561374 1101162285 /nfs/dbraw/zinc/16/22/85/1101162285.db2.gz JVPQXTPCDJFLQU-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC001446683455 1101236902 /nfs/dbraw/zinc/23/69/02/1101236902.db2.gz NTDJTRQEXWJMNL-POAQFYNOSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001495681875 1101430683 /nfs/dbraw/zinc/43/06/83/1101430683.db2.gz JCVZHFLVWOJLBZ-UKRRQHHQSA-N 2 0 338.521 2.168 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496817146 1101523637 /nfs/dbraw/zinc/52/36/37/1101523637.db2.gz SVDKLHFWUNQTHU-VQIMIIECSA-N 2 0 329.488 2.406 10 0 EEAERP CN(CC[N@H+](C)CCc1ccccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001496836115 1101566128 /nfs/dbraw/zinc/56/61/28/1101566128.db2.gz OWRNSEVYNVCCOF-UHFFFAOYSA-N 2 0 337.895 2.369 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001496905445 1101699364 /nfs/dbraw/zinc/69/93/64/1101699364.db2.gz QBICRLZWYIYZEJ-SUMWQHHRSA-N 2 0 339.430 2.291 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001496029545 1101953421 /nfs/dbraw/zinc/95/34/21/1101953421.db2.gz YNLNNMQYFHIRHE-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496078107 1102018613 /nfs/dbraw/zinc/01/86/13/1102018613.db2.gz GTRQAYVRLBZYKQ-GFCCVEGCSA-N 2 0 338.521 2.181 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001497272243 1102232177 /nfs/dbraw/zinc/23/21/77/1102232177.db2.gz QVCAOOAXMAVPCS-CHWSQXEVSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001447232423 1102250973 /nfs/dbraw/zinc/25/09/73/1102250973.db2.gz WGDUOSOYDHRJII-UHFFFAOYSA-N 2 0 336.480 2.187 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC2)o1 ZINC001447238769 1102264744 /nfs/dbraw/zinc/26/47/44/1102264744.db2.gz RKZMXPJNYWBAIS-HNNXBMFYSA-N 2 0 348.491 2.376 10 0 EEAERP CC(C)c1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001497322334 1102321667 /nfs/dbraw/zinc/32/16/67/1102321667.db2.gz JTUKQXIQCGRZKT-HZPDHXFCSA-N 2 0 332.492 2.141 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001447338805 1102477854 /nfs/dbraw/zinc/47/78/54/1102477854.db2.gz CXPRWFAVHQTLIP-RTBURBONSA-N 2 0 344.503 2.379 10 0 EEAERP CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001447429773 1102638404 /nfs/dbraw/zinc/63/84/04/1102638404.db2.gz KGBVYYAHJWKUEZ-APWZRJJASA-N 2 0 329.488 2.281 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001497927489 1103353203 /nfs/dbraw/zinc/35/32/03/1103353203.db2.gz VXWZPSXUAYPKIU-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP O=C(NCC[C@@H]1CC[N@H+](Cc2ccsc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001494020733 1103365490 /nfs/dbraw/zinc/36/54/90/1103365490.db2.gz NVUAYQHCMMNXFJ-QAPCUYQASA-N 2 0 347.528 2.418 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001447845557 1103433798 /nfs/dbraw/zinc/43/37/98/1103433798.db2.gz KFWIQXGHSUVOBL-CVEARBPZSA-N 2 0 332.492 2.329 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497971039 1103440329 /nfs/dbraw/zinc/44/03/29/1103440329.db2.gz JYXMKRMJOJXQET-NNWNFCCCSA-N 2 0 327.472 2.280 10 0 EEAERP O=C(NCC[C@@H]1CC[N@H+](CCCC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001494073711 1103475580 /nfs/dbraw/zinc/47/55/80/1103475580.db2.gz LORQQHZCSQQLSM-GOSISDBHSA-N 2 0 333.520 2.491 10 0 EEAERP CN(CC(C)(C)C[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001447993160 1103757197 /nfs/dbraw/zinc/75/71/97/1103757197.db2.gz PITCALWDXNHCGL-HUUCEWRRSA-N 2 0 345.478 2.448 10 0 EEAERP COc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001448064942 1103926426 /nfs/dbraw/zinc/92/64/26/1103926426.db2.gz NQNCPFVBAUNYLK-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cccnc1 ZINC001448097031 1103995010 /nfs/dbraw/zinc/99/50/10/1103995010.db2.gz FPLPGVHKELTNLV-IAGOWNOFSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1oncc1C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448282427 1104314758 /nfs/dbraw/zinc/31/47/58/1104314758.db2.gz RFKBZELAKCAXFU-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983834 1106736868 /nfs/dbraw/zinc/73/68/68/1106736868.db2.gz NPJCEZTWBJXIMO-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001480809204 1107157697 /nfs/dbraw/zinc/15/76/97/1107157697.db2.gz UJOOBOXOJZLVNK-BEFAXECRSA-N 2 0 329.488 2.111 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001480826621 1107204924 /nfs/dbraw/zinc/20/49/24/1107204924.db2.gz MIIWXJFDHFBHCW-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001480829700 1107216146 /nfs/dbraw/zinc/21/61/46/1107216146.db2.gz DMPHUEIULUXQNU-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](CCCCC(F)(F)F)CCNC(=O)C1CC[NH+](C)CC1 ZINC001493008376 1107289401 /nfs/dbraw/zinc/28/94/01/1107289401.db2.gz COKAJBYJAVPERH-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCc2c1cccc2F ZINC001493043540 1107381386 /nfs/dbraw/zinc/38/13/86/1107381386.db2.gz QMYSAKZEZHGDAV-GOSISDBHSA-N 2 0 345.462 2.347 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001493123324 1107542032 /nfs/dbraw/zinc/54/20/32/1107542032.db2.gz YOHHPLSSFOPUHO-RDJZCZTQSA-N 2 0 339.524 2.255 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)ccc1C ZINC001498568322 1107736929 /nfs/dbraw/zinc/73/69/29/1107736929.db2.gz UUGAJEXDYIMQFQ-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001493253338 1107776823 /nfs/dbraw/zinc/77/68/23/1107776823.db2.gz QLKBKRWPRUHZEL-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1F ZINC001498759596 1108043287 /nfs/dbraw/zinc/04/32/87/1108043287.db2.gz MPYVADUGXOOWCB-LSBZLQRGSA-N 2 0 347.478 2.459 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC001498819917 1108164561 /nfs/dbraw/zinc/16/45/61/1108164561.db2.gz XNEPHDGEVUKWTM-ROUUACIJSA-N 2 0 333.451 2.249 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001498876739 1108263322 /nfs/dbraw/zinc/26/33/22/1108263322.db2.gz ROGFJJKIOVHQIO-INIZCTEOSA-N 2 0 336.505 2.004 10 0 EEAERP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001493551017 1108301528 /nfs/dbraw/zinc/30/15/28/1108301528.db2.gz TXVVVKMFLDDIFX-IBGZPJMESA-N 2 0 329.488 2.139 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001493664053 1108476290 /nfs/dbraw/zinc/47/62/90/1108476290.db2.gz MJVZKPDZYSVRKJ-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1Cl)C(=O)CC[NH+](C)C ZINC001493682571 1108501597 /nfs/dbraw/zinc/50/15/97/1108501597.db2.gz XHCRJKHMCPACGJ-UHFFFAOYSA-N 2 0 332.275 2.493 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1 ZINC001493806871 1108687508 /nfs/dbraw/zinc/68/75/08/1108687508.db2.gz RBKOCTYWAHTADP-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP CCOCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460748856 1110322522 /nfs/dbraw/zinc/32/25/22/1110322522.db2.gz PPCGKSHZXHGTSQ-AABGKKOBSA-N 2 0 332.488 2.228 10 0 EEAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001460936515 1110328840 /nfs/dbraw/zinc/32/88/40/1110328840.db2.gz MGRWWSNWHFGHSC-UHFFFAOYSA-N 2 0 338.414 2.268 10 0 EEAERP C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC1CCCC1 ZINC001472116707 1110543926 /nfs/dbraw/zinc/54/39/26/1110543926.db2.gz UELKQCMPMVTYFV-FUHWJXTLSA-N 2 0 333.520 2.347 10 0 EEAERP CC(C)[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC001479015140 1110659590 /nfs/dbraw/zinc/65/95/90/1110659590.db2.gz KHHBDCKFFXDQJL-RBUKOAKNSA-N 2 0 344.503 2.243 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001479301156 1110678095 /nfs/dbraw/zinc/67/80/95/1110678095.db2.gz CRNIJDZHBYQFPY-BBWFWOEESA-N 2 0 348.491 2.150 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC001499421743 1112279161 /nfs/dbraw/zinc/27/91/61/1112279161.db2.gz PMZBQBOBZYHJIG-NVXWUHKLSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCCCOC)CC2)[NH+](C)C ZINC001499585347 1112389855 /nfs/dbraw/zinc/38/98/55/1112389855.db2.gz UIJMYIZXOKIEOK-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500502460 1112894560 /nfs/dbraw/zinc/89/45/60/1112894560.db2.gz VNFRBZVTXWQHOC-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCOCC1 ZINC001500562139 1112946588 /nfs/dbraw/zinc/94/65/88/1112946588.db2.gz HFKHIBCAPVVFBV-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001500617015 1112979459 /nfs/dbraw/zinc/97/94/59/1112979459.db2.gz OHLFXIFFJGIBPQ-HNNXBMFYSA-N 2 0 331.451 2.346 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001501067236 1113187069 /nfs/dbraw/zinc/18/70/69/1113187069.db2.gz MUWGKZRKPROYDN-APWZRJJASA-N 2 0 347.503 2.111 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1cncs1 ZINC001501403436 1113346718 /nfs/dbraw/zinc/34/67/18/1113346718.db2.gz ITEHRCYOXIYGFA-HZPDHXFCSA-N 2 0 336.505 2.050 10 0 EEAERP CCC(CC)C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001501784367 1113475883 /nfs/dbraw/zinc/47/58/83/1113475883.db2.gz SQYJJFNDKYZWDU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccns2)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001501968779 1113541723 /nfs/dbraw/zinc/54/17/23/1113541723.db2.gz VLZJJVRWLRQFIO-ZBFHGGJFSA-N 2 0 348.516 2.289 10 0 EEAERP COCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001503763457 1113906364 /nfs/dbraw/zinc/90/63/64/1113906364.db2.gz BFISWHOBOJUNRU-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001506920958 1114974888 /nfs/dbraw/zinc/97/48/88/1114974888.db2.gz CTKOMWOPPDDXNP-JGGQBBKZSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC001507024916 1115062615 /nfs/dbraw/zinc/06/26/15/1115062615.db2.gz WJGUNGIFAYOVBH-QILLFSRXSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001507088187 1115101946 /nfs/dbraw/zinc/10/19/46/1115101946.db2.gz ZXSWRGFIVIOOKQ-GJZGRUSLSA-N 2 0 338.521 2.262 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001507405874 1115253702 /nfs/dbraw/zinc/25/37/02/1115253702.db2.gz BHSUNKFLMKXKDM-GJZGRUSLSA-N 2 0 345.422 2.115 10 0 EEAERP CC1CC[NH+](CC(=O)NC2(C3CC[NH+](CCF)CC3)CC2)CC1 ZINC001508165022 1115432596 /nfs/dbraw/zinc/43/25/96/1115432596.db2.gz FWJOLCBBCLTJCN-UHFFFAOYSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001567900642 1124164888 /nfs/dbraw/zinc/16/48/88/1124164888.db2.gz HRCARBNQULVUTM-QWHCGFSZSA-N 2 0 336.307 2.101 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001567919228 1124179738 /nfs/dbraw/zinc/17/97/38/1124179738.db2.gz XDJODGUIVLVBSI-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001568060054 1124265923 /nfs/dbraw/zinc/26/59/23/1124265923.db2.gz DOWKJPCTBCFANY-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC001568065520 1124270609 /nfs/dbraw/zinc/27/06/09/1124270609.db2.gz AZBMUGUWZHLKHA-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1 ZINC001568113566 1124309881 /nfs/dbraw/zinc/30/98/81/1124309881.db2.gz NXXVKXWVIQFQBY-IYARVYRRSA-N 2 0 345.487 2.178 10 0 EEAERP O=C(NCc1ccc(C[NH2+]C/C=C/Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001568118457 1124312633 /nfs/dbraw/zinc/31/26/33/1124312633.db2.gz TZURLUJRQHXVED-HNEMKHGLSA-N 2 0 347.890 2.487 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001568687772 1124698903 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EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001569211152 1125166787 /nfs/dbraw/zinc/16/67/87/1125166787.db2.gz PREXKGFPEUFGDK-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001569210140 1125167210 /nfs/dbraw/zinc/16/72/10/1125167210.db2.gz PKINXMQVJHXFMM-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000088687416 539370591 /nfs/dbraw/zinc/37/05/91/539370591.db2.gz IMDRBQDPOXORLG-IBGZPJMESA-N 2 0 330.520 2.402 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000069329275 215379650 /nfs/dbraw/zinc/37/96/50/215379650.db2.gz PNOICCRSVDUEDC-HNNXBMFYSA-N 2 0 346.450 2.194 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422747820 283317896 /nfs/dbraw/zinc/31/78/96/283317896.db2.gz ZOIPFCURSJVMMK-INIZCTEOSA-N 3 0 339.524 2.019 10 0 EEAERP NC(=O)CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000421886607 240043970 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292240885 /nfs/dbraw/zinc/24/08/85/292240885.db2.gz BSZXBKDYBKTWIJ-ZBFHGGJFSA-N 2 0 339.430 2.020 10 0 EEAERP COCC1(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC[NH2+]CC1 ZINC000423409654 292249580 /nfs/dbraw/zinc/24/95/80/292249580.db2.gz QRBBOYVVQLQOTG-CQSZACIVSA-N 2 0 349.475 2.320 10 0 EEAERP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262666733 152304292 /nfs/dbraw/zinc/30/42/92/152304292.db2.gz KRDCEDLAMDMZIZ-QUCCMNQESA-N 2 0 347.503 2.066 10 0 EEAERP Cn1ncc(Cl)c1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000131858145 292394135 /nfs/dbraw/zinc/39/41/35/292394135.db2.gz MDUUTEWWFKQGOP-UHFFFAOYSA-N 2 0 339.915 2.113 10 0 EEAERP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000073897920 159057835 /nfs/dbraw/zinc/05/78/35/159057835.db2.gz MXWGQXZUHPOOBA-OOKSDGMUSA-N 2 0 336.524 2.421 10 0 EEAERP CCCO[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000108395075 159340432 /nfs/dbraw/zinc/34/04/32/159340432.db2.gz KYDUUFJYCFGADL-GOSISDBHSA-N 2 0 337.508 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ZINC000376800836 167396393 /nfs/dbraw/zinc/39/63/93/167396393.db2.gz CSLGTNIBWHNVPF-IBGZPJMESA-N 2 0 344.503 2.341 10 0 EEAERP CC(=O)NCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248410536 278102810 /nfs/dbraw/zinc/10/28/10/278102810.db2.gz YBQVNPKKVURKGR-XUVXKRRUSA-N 2 0 329.488 2.403 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000348870936 279034372 /nfs/dbraw/zinc/03/43/72/279034372.db2.gz GMWJUOPUVYZZHP-KRWDZBQOSA-N 2 0 329.488 2.235 10 0 EEAERP CC[NH+](CC)[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422734530 279165534 /nfs/dbraw/zinc/16/55/34/279165534.db2.gz TZAXHISEKXUMLJ-HSALFYBXSA-N 2 0 331.504 2.426 10 0 EEAERP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367614393 282009317 /nfs/dbraw/zinc/00/93/17/282009317.db2.gz HAPFNROIOPBECV-GUDVDZBRSA-N 2 0 329.488 2.393 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000333128028 312097025 /nfs/dbraw/zinc/09/70/25/312097025.db2.gz BJCSJUJXZKUYFX-CPFNUKBASA-N 2 0 336.524 2.327 10 0 EEAERP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000414476949 313031755 /nfs/dbraw/zinc/03/17/55/313031755.db2.gz AQFDNSLAQGYALH-MJGOQNOKSA-N 2 0 335.536 2.365 10 0 EEAERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)cc1 ZINC000414801837 313093601 /nfs/dbraw/zinc/09/36/01/313093601.db2.gz AQQMNFJJSKJQEI-OAHLLOKOSA-N 2 0 341.455 2.463 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416879997 313346001 /nfs/dbraw/zinc/34/60/01/313346001.db2.gz XPILZZDUXPJNJV-HXUWFJFHSA-N 2 0 342.487 2.177 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000416883549 313347431 /nfs/dbraw/zinc/34/74/31/313347431.db2.gz JQOKMOMDKOKBLC-STQMWFEESA-N 2 0 338.883 2.339 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416966965 313374907 /nfs/dbraw/zinc/37/49/07/313374907.db2.gz GGVXKNOEIQGLPC-OALUTQOASA-N 2 0 344.503 2.420 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCNc1cc[nH+]cc1 ZINC000439042153 315065003 /nfs/dbraw/zinc/06/50/03/315065003.db2.gz SVUAGFIFUQBUMM-UHFFFAOYSA-N 2 0 338.411 2.153 10 0 EEAERP CO[C@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000528414081 317380026 /nfs/dbraw/zinc/38/00/26/317380026.db2.gz AJOJIWFPURRGDU-RBUKOAKNSA-N 2 0 335.467 2.225 10 0 EEAERP CN(CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cc[nH+]cc1 ZINC000541856634 318112486 /nfs/dbraw/zinc/11/24/86/318112486.db2.gz ZFYXEJAJVGVIOF-LPHOPBHVSA-N 2 0 342.487 2.383 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000542787525 318140433 /nfs/dbraw/zinc/14/04/33/318140433.db2.gz GHBDVSAMFBFNMI-CALCHBBNSA-N 2 0 332.492 2.392 10 0 EEAERP CC(C)(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)c1c[nH]cn1 ZINC000548092075 318354079 /nfs/dbraw/zinc/35/40/79/318354079.db2.gz MTPWSEUNDDBJSV-UHFFFAOYSA-N 2 0 348.491 2.086 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000559774260 318756705 /nfs/dbraw/zinc/75/67/05/318756705.db2.gz OZJVFWSLEMIWQG-KRWDZBQOSA-N 2 0 347.503 2.154 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000561077950 318822746 /nfs/dbraw/zinc/82/27/46/318822746.db2.gz LXUWFYODLIGLEU-WMZOPIPTSA-N 2 0 327.472 2.099 10 0 EEAERP CC(C)[NH2+]C1(CO)CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000565163089 319154956 /nfs/dbraw/zinc/15/49/56/319154956.db2.gz NPPPKHQHVJHBDG-UHFFFAOYSA-N 2 0 328.460 2.197 10 0 EEAERP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000571073351 319723567 /nfs/dbraw/zinc/72/35/67/319723567.db2.gz XCDVVESFOFJTIY-AWEZNQCLSA-N 2 0 329.469 2.498 10 0 EEAERP CC(C)[N@H+](C)Cc1cccc(CNC(=O)COC2CCC([NH3+])CC2)c1 ZINC000574208657 320005387 /nfs/dbraw/zinc/00/53/87/320005387.db2.gz RVDHXSCVESBEOG-UHFFFAOYSA-N 2 0 347.503 2.430 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)CC[NH2+]C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000581380128 324242215 /nfs/dbraw/zinc/24/22/15/324242215.db2.gz IXGXMUVJKNBEJP-UYAOXDASSA-N 2 0 343.471 2.231 10 0 EEAERP Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C2CCN(C(N)=O)CC2)c(C)c1 ZINC000358341848 465069611 /nfs/dbraw/zinc/06/96/11/465069611.db2.gz CQNFWYZYMYFUFY-GOSISDBHSA-N 2 0 341.459 2.374 10 0 EEAERP Cn1ccnc1[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000127702936 462575682 /nfs/dbraw/zinc/57/56/82/462575682.db2.gz KVCKUVXOGFXAHP-SFHVURJKSA-N 2 0 345.535 2.411 10 0 EEAERP CCOC(=O)CCCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000117881259 462815759 /nfs/dbraw/zinc/81/57/59/462815759.db2.gz NQMKCTDAHLCVHU-GOSISDBHSA-N 2 0 339.524 2.212 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000579333088 468343853 /nfs/dbraw/zinc/34/38/53/468343853.db2.gz OFBAPQYJFMCPNH-SCTDSRPQSA-N 2 0 330.476 2.121 10 0 EEAERP CCOC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915694 463497389 /nfs/dbraw/zinc/49/73/89/463497389.db2.gz PEJQBJYDXUDHRD-IBGZPJMESA-N 2 0 348.487 2.317 10 0 EEAERP C[N@H+](CCCOc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042133318 463544880 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EEAERP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000280989044 464289389 /nfs/dbraw/zinc/28/93/89/464289389.db2.gz WSWXHMWOAKSVLW-VIYGXFRKSA-N 2 0 344.499 2.417 10 0 EEAERP C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000237399279 464313791 /nfs/dbraw/zinc/31/37/91/464313791.db2.gz ITWJQJYUWDVEIM-APWZRJJASA-N 2 0 331.504 2.301 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174294292 464390226 /nfs/dbraw/zinc/39/02/26/464390226.db2.gz WKPKMYYEZXAIBU-SFHVURJKSA-N 2 0 336.524 2.236 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000281318627 464412163 /nfs/dbraw/zinc/41/21/63/464412163.db2.gz SIYYMDHJXWYDTM-GOSISDBHSA-N 2 0 335.467 2.437 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245835132 464516870 /nfs/dbraw/zinc/51/68/70/464516870.db2.gz CJIBJEFCHDPYNY-PKOBYXMFSA-N 2 0 342.487 2.163 10 0 EEAERP CN1CC[N@H+](C)C[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272384251 464587840 /nfs/dbraw/zinc/58/78/40/464587840.db2.gz FTLBBOSXKROZDM-PLACYPQZSA-N 2 0 342.531 2.017 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000175772295 464620763 /nfs/dbraw/zinc/62/07/63/464620763.db2.gz CBYDPVWRHGLJGP-SFHVURJKSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000183090213 464794734 /nfs/dbraw/zinc/79/47/34/464794734.db2.gz GIVBWRNVLSVDSS-LPHOPBHVSA-N 2 0 345.487 2.056 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000253359212 464992787 /nfs/dbraw/zinc/99/27/87/464992787.db2.gz GVJGXRJZHBDOLG-JKSUJKDBSA-N 2 0 336.480 2.446 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000253359211 464993566 /nfs/dbraw/zinc/99/35/66/464993566.db2.gz GVJGXRJZHBDOLG-HZPDHXFCSA-N 2 0 336.480 2.446 10 0 EEAERP C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000579931554 468436830 /nfs/dbraw/zinc/43/68/30/468436830.db2.gz OUUNSYZVKOTVEU-HNNXBMFYSA-N 2 0 329.488 2.428 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000299112215 465607125 /nfs/dbraw/zinc/60/71/25/465607125.db2.gz QTLNPDIXHDIIRL-RBUKOAKNSA-N 2 0 346.519 2.190 10 0 EEAERP COC1CC[NH+](C(C)(C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353435178 465880067 /nfs/dbraw/zinc/88/00/67/465880067.db2.gz TWFJBGRTDFNYBI-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP CNC(=O)C[NH+]1CCC(CN(C)c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301680170 466009062 /nfs/dbraw/zinc/00/90/62/466009062.db2.gz RQCOAIHRNRRRPA-UHFFFAOYSA-N 2 0 340.471 2.437 10 0 EEAERP O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000361471422 466024762 /nfs/dbraw/zinc/02/47/62/466024762.db2.gz ZTEXJYMHIWBEQN-MRXNPFEDSA-N 2 0 345.462 2.358 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)o1 ZINC000349469984 466120849 /nfs/dbraw/zinc/12/08/49/466120849.db2.gz SJCKYESNBQVRFO-QGZVFWFLSA-N 2 0 335.492 2.395 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000349673323 466186549 /nfs/dbraw/zinc/18/65/49/466186549.db2.gz XBLIQJFDOBJCNB-GOSISDBHSA-N 2 0 336.524 2.377 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367616884 466451279 /nfs/dbraw/zinc/45/12/79/466451279.db2.gz MKOLTSBXOIVIAU-SZMVWBNQSA-N 2 0 348.466 2.020 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C(=O)NCC[NH+](C)C ZINC000347233079 466497432 /nfs/dbraw/zinc/49/74/32/466497432.db2.gz PVRKLPYABZTWIF-KXBFYZLASA-N 2 0 347.503 2.460 10 0 EEAERP C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423251519 466703940 /nfs/dbraw/zinc/70/39/40/466703940.db2.gz WNEARMVVJDFYFP-DYVFJYSZSA-N 2 0 333.457 2.409 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415970328 466717440 /nfs/dbraw/zinc/71/74/40/466717440.db2.gz HXQPDMYOWNVUOD-INIZCTEOSA-N 2 0 334.439 2.275 10 0 EEAERP COCC1(CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405925 466740514 /nfs/dbraw/zinc/74/05/14/466740514.db2.gz JVKRXYUCELRCSV-MOPGFXCFSA-N 2 0 347.503 2.094 10 0 EEAERP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423517693 466764475 /nfs/dbraw/zinc/76/44/75/466764475.db2.gz YMQGOCBXJSOCFC-RRENTHDGSA-N 2 0 345.535 2.252 10 0 EEAERP C[NH2+]CCC1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000417195674 466799588 /nfs/dbraw/zinc/79/95/88/466799588.db2.gz OEUOHPOQXIQKHY-LJQANCHMSA-N 2 0 346.519 2.190 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417253560 466816289 /nfs/dbraw/zinc/81/62/89/466816289.db2.gz LRVZZCPFZOKRLH-KYHPRHEASA-N 2 0 332.492 2.352 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000417295102 466825683 /nfs/dbraw/zinc/82/56/83/466825683.db2.gz NOBUELDBUAWIFE-YJBOKZPZSA-N 2 0 330.476 2.030 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417536189 466879422 /nfs/dbraw/zinc/87/94/22/466879422.db2.gz QLKMHHYKVJWDPP-XWTMOSNGSA-N 2 0 336.524 2.280 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417666111 466903837 /nfs/dbraw/zinc/90/38/37/466903837.db2.gz FCMWEKFWNMMGTH-FHWLQOOXSA-N 2 0 342.487 2.044 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000417784390 466934681 /nfs/dbraw/zinc/93/46/81/466934681.db2.gz AOFVZGUOZKKFRF-ABHNRTSZSA-N 2 0 333.476 2.213 10 0 EEAERP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC1=O ZINC000374153006 467014766 /nfs/dbraw/zinc/01/47/66/467014766.db2.gz DMXMKQZQDUPTQM-ATZDWAIDSA-N 2 0 327.472 2.250 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418031510 467028212 /nfs/dbraw/zinc/02/82/12/467028212.db2.gz KSBCESOFUGMNHO-UHOSZYNNSA-N 2 0 346.519 2.440 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418139841 467057772 /nfs/dbraw/zinc/05/77/72/467057772.db2.gz WEZBSWTXEZEMDW-ABHNRTSZSA-N 2 0 334.508 2.177 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000418550568 467127122 /nfs/dbraw/zinc/12/71/22/467127122.db2.gz HUCCJJUKSBSORS-RDTXWAMCSA-N 2 0 330.476 2.162 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418578227 467131093 /nfs/dbraw/zinc/13/10/93/467131093.db2.gz PSNYLRSUWDWELH-FGTMMUONSA-N 2 0 336.524 2.282 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418702646 467147513 /nfs/dbraw/zinc/14/75/13/467147513.db2.gz HDRACIZNJWVHQM-LZLYRXPVSA-N 2 0 332.492 2.276 10 0 EEAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433322240 467317637 /nfs/dbraw/zinc/31/76/37/467317637.db2.gz ZOAOWMNDGDLESI-LLVKDONJSA-N 2 0 337.411 2.488 10 0 EEAERP O=C(c1ccc(F)c(F)c1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420319957 467354779 /nfs/dbraw/zinc/35/47/79/467354779.db2.gz PSHVZQJENDBNTQ-AWEZNQCLSA-N 2 0 337.414 2.112 10 0 EEAERP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCN1 ZINC000383453849 467380698 /nfs/dbraw/zinc/38/06/98/467380698.db2.gz HTGJGTTVIAQHNS-ZSYWTGECSA-N 2 0 327.472 2.155 10 0 EEAERP CN(C)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1C ZINC000414251600 467394704 /nfs/dbraw/zinc/39/47/04/467394704.db2.gz HFDQEYDDFLLEIB-UHFFFAOYSA-N 2 0 327.476 2.372 10 0 EEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000404426037 467474691 /nfs/dbraw/zinc/47/46/91/467474691.db2.gz LTTMECRTBZJKQV-BMFAXAFESA-N 2 0 329.488 2.496 10 0 EEAERP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCC([NH+]3CCNCC3)CC2)o1 ZINC000415061579 467478478 /nfs/dbraw/zinc/47/84/78/467478478.db2.gz YRKDIOSZKJFLMH-UHFFFAOYSA-N 2 0 343.475 2.284 10 0 EEAERP C[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453429998 467489041 /nfs/dbraw/zinc/48/90/41/467489041.db2.gz QTOBRFKXXZPJLD-DMUMMCEESA-N 2 0 327.472 2.440 10 0 EEAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449393251 467637038 /nfs/dbraw/zinc/63/70/38/467637038.db2.gz LWHWJUCRGLLLBB-HOJAQTOUSA-N 2 0 337.552 2.466 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCC(O)CC2)CC1 ZINC000449649501 467676401 /nfs/dbraw/zinc/67/64/01/467676401.db2.gz ITEWXDMLSDXWAZ-GOSISDBHSA-N 2 0 345.531 2.128 10 0 EEAERP CN(C)[C@H](CNC(=O)NCCc1cn(C)cn1)c1ccccc1Cl ZINC000457456361 467828092 /nfs/dbraw/zinc/82/80/92/467828092.db2.gz BKCXLRLORJKFFN-MRXNPFEDSA-N 2 0 349.866 2.218 10 0 EEAERP CCn1nncc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000459373833 467956313 /nfs/dbraw/zinc/95/63/13/467956313.db2.gz NQEDMEXYHJWSCJ-UHFFFAOYSA-N 2 0 328.464 2.432 10 0 EEAERP CSC1(C[NH2+]C[C@@H](O)COc2ccc(C)cc2)CC[NH+](C)CC1 ZINC000578619976 468227887 /nfs/dbraw/zinc/22/78/87/468227887.db2.gz GYNSKCVMWRHDRH-MRXNPFEDSA-N 2 0 338.517 2.152 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)COC1CCC([NH3+])CC1)CC(C)C ZINC000567896693 468233160 /nfs/dbraw/zinc/23/31/60/468233160.db2.gz JQFSJJBEFTWJMC-CGZBRXJRSA-N 2 0 327.513 2.146 10 0 EEAERP COCCN(C)C[C@H](O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221959 468606610 /nfs/dbraw/zinc/60/66/10/468606610.db2.gz CQPYUGKIYSZBDW-OALUTQOASA-N 2 0 349.519 2.356 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CCOCC1)CCC2 ZINC000594494779 468607970 /nfs/dbraw/zinc/60/79/70/468607970.db2.gz FZRFSFYZJHELBU-HNAYVOBHSA-N 2 0 346.471 2.409 10 0 EEAERP Cc1c(Cl)cc(F)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1F ZINC000582892891 468611484 /nfs/dbraw/zinc/61/14/84/468611484.db2.gz DXHQAPLUZOIFTA-VIFPVBQESA-N 2 0 332.782 2.033 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000561182300 468872354 /nfs/dbraw/zinc/87/23/54/468872354.db2.gz HWLARKZSBMMPPR-KCXAZCMYSA-N 2 0 338.883 2.240 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000572381520 468926424 /nfs/dbraw/zinc/92/64/24/468926424.db2.gz NQSUIVJVYKQVQE-ORPJZTTNSA-N 2 0 348.535 2.122 10 0 EEAERP CC1(C)COC[C@@H]1[NH2+]Cc1cncc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000572931748 469021280 /nfs/dbraw/zinc/02/12/80/469021280.db2.gz FVZFFHRRXGFZAI-CALCHBBNSA-N 2 0 333.476 2.111 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000626370879 469589209 /nfs/dbraw/zinc/58/92/09/469589209.db2.gz YIHFSRUDIKSDIT-CRAIPNDOSA-N 2 0 340.471 2.391 10 0 EEAERP COc1ccc(CN2CC[C@@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2=O)cc1 ZINC000623420625 469651579 /nfs/dbraw/zinc/65/15/79/469651579.db2.gz JXZTVPNOKZWLFR-FUHWJXTLSA-N 2 0 345.487 2.259 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000626984540 469778259 /nfs/dbraw/zinc/77/82/59/469778259.db2.gz HWERLJGCVUMIBS-TTZDDIAXSA-N 2 0 336.505 2.181 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCCCO1 ZINC000623868957 469783904 /nfs/dbraw/zinc/78/39/04/469783904.db2.gz LVKORAIDSUVIAV-YLJYHZDGSA-N 2 0 331.504 2.481 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000627030298 469795973 /nfs/dbraw/zinc/79/59/73/469795973.db2.gz HSQQTPQVKXWRLA-JQHSSLGASA-N 2 0 344.503 2.337 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)C2 ZINC000627092624 469811937 /nfs/dbraw/zinc/81/19/37/469811937.db2.gz CMDDENGETTWKRV-QRQLOZEOSA-N 2 0 330.476 2.108 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000627168726 469832028 /nfs/dbraw/zinc/83/20/28/469832028.db2.gz DTFPTJASCDICPT-DLBZAZTESA-N 2 0 336.455 2.039 10 0 EEAERP CCN(C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617923427 469837925 /nfs/dbraw/zinc/83/79/25/469837925.db2.gz CEQBIWGWDSSHHA-RBUKOAKNSA-N 2 0 329.488 2.451 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC[N@@H+]1C ZINC000630473409 469865519 /nfs/dbraw/zinc/86/55/19/469865519.db2.gz YIRUWHJFGOEUQS-PKOBYXMFSA-N 2 0 344.503 2.416 10 0 EEAERP C[C@@H]1C[C@H]([N@H+](C)CCc2cn(C)nn2)CCN1Cc1ccccc1 ZINC000625222329 470097596 /nfs/dbraw/zinc/09/75/96/470097596.db2.gz MKDOARJEBIMGNU-VQIMIIECSA-N 2 0 327.476 2.343 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000631269321 470107361 /nfs/dbraw/zinc/10/73/61/470107361.db2.gz OVRPIZJHHJVJMX-ZWKOTPCHSA-N 2 0 333.476 2.433 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCCC[C@H]2[C@H]2CCOC2)[nH+]1 ZINC000635007082 470400032 /nfs/dbraw/zinc/40/00/32/470400032.db2.gz DSWNGWOFCVOKHJ-RYQLBKOJSA-N 2 0 330.476 2.498 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645951168 470472740 /nfs/dbraw/zinc/47/27/40/470472740.db2.gz DVZZYHLBBBRQFP-HZPDHXFCSA-N 2 0 332.492 2.405 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370201 470562367 /nfs/dbraw/zinc/56/23/67/470562367.db2.gz HNCOKFWAHSLLMN-HNNXBMFYSA-N 2 0 331.460 2.032 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000646262346 470584428 /nfs/dbraw/zinc/58/44/28/470584428.db2.gz IKPWIBZDWXYOLW-UHFFFAOYSA-N 2 0 332.492 2.263 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647326073 470883030 /nfs/dbraw/zinc/88/30/30/470883030.db2.gz XAUBAMLZXBXZCM-SJLPKXTDSA-N 2 0 327.476 2.248 10 0 EEAERP [NH3+]CC1(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000650712742 470947738 /nfs/dbraw/zinc/94/77/38/470947738.db2.gz SAUXGBALEJIPHX-UHFFFAOYSA-N 2 0 328.416 2.067 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)nc1 ZINC000638530925 471132527 /nfs/dbraw/zinc/13/25/27/471132527.db2.gz ZARRISXWUAUXCE-BCDXTJNWSA-N 2 0 329.492 2.015 10 0 EEAERP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104247 471138814 /nfs/dbraw/zinc/13/88/14/471138814.db2.gz KHOCCIRFCDRJGK-WBVHZDCISA-N 2 0 330.476 2.017 10 0 EEAERP Nc1nc(N2CC[NH+](CCc3cccs3)CC2)c2c([nH+]1)CCCC2 ZINC000645136443 471150312 /nfs/dbraw/zinc/15/03/12/471150312.db2.gz SQXXLXXSRFFCNV-UHFFFAOYSA-N 2 0 343.500 2.364 10 0 EEAERP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657503780 471154656 /nfs/dbraw/zinc/15/46/56/471154656.db2.gz WFHKWINUILBSPY-KRWDZBQOSA-N 2 0 335.411 2.133 10 0 EEAERP c1cc2c(cc1C[NH2+]CC1CC[NH+](C3CCOCC3)CC1)OCCO2 ZINC000657536444 471164169 /nfs/dbraw/zinc/16/41/69/471164169.db2.gz IZJRMBLAOYFOQN-UHFFFAOYSA-N 2 0 346.471 2.438 10 0 EEAERP [NH3+]CC1(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000652126731 471240157 /nfs/dbraw/zinc/24/01/57/471240157.db2.gz UZXIHEYIOZTBCL-UHFFFAOYSA-N 2 0 330.476 2.211 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)NCCC3(C[NH3+])CC3)CC2)CC1 ZINC000652172988 471250233 /nfs/dbraw/zinc/25/02/33/471250233.db2.gz RZFIKOQWFWKKED-UHFFFAOYSA-N 2 0 336.524 2.458 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652180288 471251662 /nfs/dbraw/zinc/25/16/62/471251662.db2.gz OWIZKUQOGXISHA-GOSISDBHSA-N 2 0 344.503 2.325 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCCC2(C[NH3+])CC2)CCC1 ZINC000652197188 471254805 /nfs/dbraw/zinc/25/48/05/471254805.db2.gz QMRKEQDNJNQBME-UHFFFAOYSA-N 2 0 344.503 2.469 10 0 EEAERP O[C@]1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOC1 ZINC000652263147 471263814 /nfs/dbraw/zinc/26/38/14/471263814.db2.gz KZJIFVUOEFGFMZ-YSTOQKLRSA-N 2 0 330.472 2.313 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000652288494 471267368 /nfs/dbraw/zinc/26/73/68/471267368.db2.gz LRLBDAZIODJYRE-QZTJIDSGSA-N 2 0 330.476 2.032 10 0 EEAERP CCN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663452647 471385588 /nfs/dbraw/zinc/38/55/88/471385588.db2.gz LURCDXDOCBUGKI-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC000663503813 471402230 /nfs/dbraw/zinc/40/22/30/471402230.db2.gz MOJWJVCBLQEYMG-UHFFFAOYSA-N 2 0 340.471 2.315 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659047358 471487523 /nfs/dbraw/zinc/48/75/23/471487523.db2.gz RUFOJBJNWMUWBW-GOSISDBHSA-N 2 0 346.475 2.297 10 0 EEAERP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653119352 471497723 /nfs/dbraw/zinc/49/77/23/471497723.db2.gz GRPRFWFXTBHWTG-ROUUACIJSA-N 2 0 331.460 2.486 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[NH2+][C@@H]2CC)cc1 ZINC000659353558 471589759 /nfs/dbraw/zinc/58/97/59/471589759.db2.gz QFCPKFHGVRDUOX-OKYOBFRVSA-N 2 0 345.487 2.035 10 0 EEAERP [NH3+]C[C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000659368919 471595225 /nfs/dbraw/zinc/59/52/25/471595225.db2.gz QEWQAMJXEQIONL-MSOLQXFVSA-N 2 0 325.412 2.029 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000667148756 471671810 /nfs/dbraw/zinc/67/18/10/471671810.db2.gz WIKKHKMSPMZJII-OAHLLOKOSA-N 2 0 340.431 2.121 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795986 471907186 /nfs/dbraw/zinc/90/71/86/471907186.db2.gz XMJMAQLTMPQENR-OKILXGFUSA-N 2 0 331.464 2.112 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000654374828 471933325 /nfs/dbraw/zinc/93/33/25/471933325.db2.gz OQOGWHSUFRBEMT-UWUNEBHHSA-N 2 0 344.503 2.074 10 0 EEAERP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000662337918 472077487 /nfs/dbraw/zinc/07/74/87/472077487.db2.gz NUEUFMPYNYDBGT-TVFCKZIOSA-N 2 0 343.519 2.435 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)on1 ZINC000662662945 472194651 /nfs/dbraw/zinc/19/46/51/472194651.db2.gz ALMZYPMOLPOBMF-LBPRGKRZSA-N 2 0 348.472 2.497 10 0 EEAERP C[C@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[NH2+]C1 ZINC000662687513 472206567 /nfs/dbraw/zinc/20/65/67/472206567.db2.gz ZHXCVFXWDCSIRQ-HFTRVMKXSA-N 2 0 331.460 2.312 10 0 EEAERP C[C@H](CCNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000673771261 485524138 /nfs/dbraw/zinc/52/41/38/485524138.db2.gz GMIFHFDOGPEJFI-AEFFLSMTSA-N 2 0 332.492 2.290 10 0 EEAERP CO[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684373869 485862802 /nfs/dbraw/zinc/86/28/02/485862802.db2.gz DDFAOXXVQLIAGS-HKUYNNGSSA-N 2 0 332.492 2.141 10 0 EEAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc[nH]c3C3CCC3)C2)CC1 ZINC000685191280 486087135 /nfs/dbraw/zinc/08/71/35/486087135.db2.gz YJNBQLQWSPCUCE-HNNXBMFYSA-N 2 0 330.476 2.181 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CCC(C[NH+](C)C)CC1 ZINC000749736973 577980939 /nfs/dbraw/zinc/98/09/39/577980939.db2.gz SWBMTKPXFGUZET-UYSNPLJNSA-N 2 0 326.554 2.055 10 0 EEAERP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000090971335 676814262 /nfs/dbraw/zinc/81/42/62/676814262.db2.gz IRJRLECSXDCXBP-OXJNMPFZSA-N 2 0 329.488 2.486 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C[C@H](O)Cc3ccccc3C(F)(F)F)C[C@]2(C)C1 ZINC000933735597 676840845 /nfs/dbraw/zinc/84/08/45/676840845.db2.gz JKAJBAZOWSEINN-INMHGKMJSA-N 2 0 342.405 2.492 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COCc3ccccc3Cl)C2)C1 ZINC000292264809 678701212 /nfs/dbraw/zinc/70/12/12/678701212.db2.gz YYUPPGJLSMUVNF-AEFFLSMTSA-N 2 0 338.879 2.245 10 0 EEAERP OC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H]1CCCOC1 ZINC000894994762 683455680 /nfs/dbraw/zinc/45/56/80/683455680.db2.gz VAAYEMAGOXFZIN-SXYSDOLCSA-N 2 0 344.499 2.417 10 0 EEAERP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000899808287 693876171 /nfs/dbraw/zinc/87/61/71/693876171.db2.gz CKUXKLMOEXYJRI-DLBZAZTESA-N 2 0 330.476 2.383 10 0 EEAERP COc1ccccc1N1CC[C@H](N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000931310145 684949537 /nfs/dbraw/zinc/94/95/37/684949537.db2.gz IMYOICNYVODOSX-FFZOFVMBSA-N 2 0 343.471 2.074 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001485521725 1191824935 /nfs/dbraw/zinc/82/49/35/1191824935.db2.gz HOZWTFPPFCZSCE-MRXNPFEDSA-N 2 0 346.519 2.402 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588507 1191858556 /nfs/dbraw/zinc/85/85/56/1191858556.db2.gz ZHPODYJDMFOUPK-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC(F)(F)F)C[C@H]2C1 ZINC001485656398 1191874724 /nfs/dbraw/zinc/87/47/24/1191874724.db2.gz CMWQEPMRRCKEJL-RRFJBIMHSA-N 2 0 349.441 2.497 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2C1 ZINC001485657985 1191878961 /nfs/dbraw/zinc/87/89/61/1191878961.db2.gz QJRQBLNTBNUFBQ-VAMGGRTRSA-N 2 0 343.515 2.398 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001485702389 1191905517 /nfs/dbraw/zinc/90/55/17/1191905517.db2.gz RGHPLKHMVFBGCT-DKMHLOGQSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)oc1C ZINC001485744735 1191919782 /nfs/dbraw/zinc/91/97/82/1191919782.db2.gz NDUUBXKSPIYETQ-CZUORRHYSA-N 2 0 336.480 2.008 10 0 EEAERP COCCCCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001485763047 1191937786 /nfs/dbraw/zinc/93/77/86/1191937786.db2.gz NGGCKXCCBBDAHJ-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1nocc1C[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001485785193 1191951635 /nfs/dbraw/zinc/95/16/35/1191951635.db2.gz SKZYRPXNRSVUAF-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCc2ccccc2)C2CC2)C1 ZINC001670557710 1176905269 /nfs/dbraw/zinc/90/52/69/1176905269.db2.gz WRCGXIQEVHIHGY-RBUKOAKNSA-N 2 0 329.488 2.055 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001266632527 1177028459 /nfs/dbraw/zinc/02/84/59/1177028459.db2.gz IEHJNAYSEYYYMX-KKUMJFAQSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001266632722 1177029339 /nfs/dbraw/zinc/02/93/39/1177029339.db2.gz OOVOUVOYSKIRCK-ZHALLVOQSA-N 2 0 347.503 2.259 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCO1)C1CCC1 ZINC001266870448 1177653963 /nfs/dbraw/zinc/65/39/63/1177653963.db2.gz JZTKURXBLLYJKP-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP CN(C)c1cccc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001480898527 1177745095 /nfs/dbraw/zinc/74/50/95/1177745095.db2.gz PWWFUGIAIJNLAI-UHFFFAOYSA-N 2 0 346.519 2.175 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)s1 ZINC001691360247 1177969863 /nfs/dbraw/zinc/96/98/63/1177969863.db2.gz SKAKKDCRJJWXAQ-GOEBONIOSA-N 2 0 336.505 2.016 10 0 EEAERP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001267040524 1178136404 /nfs/dbraw/zinc/13/64/04/1178136404.db2.gz FAEZQDMLBOJUHD-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391362 1178957565 /nfs/dbraw/zinc/95/75/65/1178957565.db2.gz IEJBOXWXKPGRCU-KRWDZBQOSA-N 2 0 339.430 2.040 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001267436887 1179009792 /nfs/dbraw/zinc/00/97/92/1179009792.db2.gz OEYLTISFIVXRAV-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456252 1179038955 /nfs/dbraw/zinc/03/89/55/1179038955.db2.gz RALMXAJJHZMUJO-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CN(CC[NH2+]Cc1nsc2ccccc12)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456283 1179039234 /nfs/dbraw/zinc/03/92/34/1179039234.db2.gz RUBJNUWLEAETGC-CQSZACIVSA-N 2 0 346.500 2.186 10 0 EEAERP CCN1CCO[C@@H](C(=O)N(C)CC[NH2+]CCC2CCCCCC2)C1 ZINC001267471401 1179100581 /nfs/dbraw/zinc/10/05/81/1179100581.db2.gz FIARAJSXUPGBQO-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001267475087 1179109176 /nfs/dbraw/zinc/10/91/76/1179109176.db2.gz XBDJEXKOIAUJHA-LJQANCHMSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC(F)(F)F ZINC001267500591 1179190701 /nfs/dbraw/zinc/19/07/01/1179190701.db2.gz AGALDDKMMLJELB-OAHLLOKOSA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@@H]1CCC(F)(F)C1 ZINC001480975260 1179407916 /nfs/dbraw/zinc/40/79/16/1179407916.db2.gz MYYLJRAAYLSIME-ZBFHGGJFSA-N 2 0 343.462 2.202 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)c1C ZINC001481055395 1179640446 /nfs/dbraw/zinc/64/04/46/1179640446.db2.gz FFLMNMPIEFAOQF-KRWDZBQOSA-N 2 0 333.476 2.036 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1F ZINC001481151964 1179931858 /nfs/dbraw/zinc/93/18/58/1179931858.db2.gz YGZORWFPAJFUNU-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP CC[C@H](C)C[N@H+](CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C1CC1 ZINC001481169424 1179976013 /nfs/dbraw/zinc/97/60/13/1179976013.db2.gz ODXFOKOAJOVEFC-KBXCAEBGSA-N 2 0 347.507 2.417 10 0 EEAERP CN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242662 1180418710 /nfs/dbraw/zinc/41/87/10/1180418710.db2.gz RKZOJHWPDOKPIU-GFCCVEGCSA-N 2 0 344.912 2.219 10 0 EEAERP CN(CCNCc1cscn1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481248730 1180460318 /nfs/dbraw/zinc/46/03/18/1180460318.db2.gz SJMXTVCYYQTBAU-UHFFFAOYSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1nocc1C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481250729 1180472163 /nfs/dbraw/zinc/47/21/63/1180472163.db2.gz ZXXMBZCTWWOLMQ-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001267775216 1180496988 /nfs/dbraw/zinc/49/69/88/1180496988.db2.gz PNGXOBQMKIQYAJ-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1C ZINC001267814624 1180570127 /nfs/dbraw/zinc/57/01/27/1180570127.db2.gz HULYSDPDVYACRT-ROUUACIJSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1nocc1C[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001481355233 1181108633 /nfs/dbraw/zinc/10/86/33/1181108633.db2.gz ZWSAVZPSZTWIKL-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001481457069 1181410806 /nfs/dbraw/zinc/41/08/06/1181410806.db2.gz JXDPKRTXTBAUIS-FUHWJXTLSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001268162494 1181878556 /nfs/dbraw/zinc/87/85/56/1181878556.db2.gz JAMJOOXABONWNY-NVXWUHKLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](C(=O)N(C)CC[NH2+]C[C@@H](O)c1ccccc1)[NH+]1CCCCCC1 ZINC001691499732 1182050687 /nfs/dbraw/zinc/05/06/87/1182050687.db2.gz ASJFKKAECIOXBP-IEBWSBKVSA-N 2 0 347.503 2.033 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001481705256 1182255924 /nfs/dbraw/zinc/25/59/24/1182255924.db2.gz NPYMQJLGNZZKMS-AEFFLSMTSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1F ZINC001268400473 1182492835 /nfs/dbraw/zinc/49/28/35/1182492835.db2.gz XPKFUOJOMLKSAV-ZBFHGGJFSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268425091 1182597028 /nfs/dbraw/zinc/59/70/28/1182597028.db2.gz YSGJQUJVBSBONJ-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@@H](CNC(=O)Cc1ncc[nH]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001481861007 1182827371 /nfs/dbraw/zinc/82/73/71/1182827371.db2.gz HCCRZBNQXYAMHG-QAPCUYQASA-N 2 0 340.471 2.242 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001481953412 1183030440 /nfs/dbraw/zinc/03/04/40/1183030440.db2.gz XWHLWZXDHAEZMZ-INIZCTEOSA-N 2 0 331.451 2.246 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)co1 ZINC001481988449 1183092959 /nfs/dbraw/zinc/09/29/59/1183092959.db2.gz RGMSSFDCSSCHPQ-IAGOWNOFSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ccncc1C[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001482003844 1183120717 /nfs/dbraw/zinc/12/07/17/1183120717.db2.gz LAEAMMZIOLCBTR-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001482009252 1183122815 /nfs/dbraw/zinc/12/28/15/1183122815.db2.gz DFBGOKRTYCPQLL-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)c1C ZINC001268550898 1183235320 /nfs/dbraw/zinc/23/53/20/1183235320.db2.gz WTCCFSZFFVTSQR-AATRIKPKSA-N 2 0 345.487 2.250 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001482061691 1183271562 /nfs/dbraw/zinc/27/15/62/1183271562.db2.gz JJHHDXZTWSCSCW-KURKYZTESA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482131704 1183381246 /nfs/dbraw/zinc/38/12/46/1183381246.db2.gz XMPWKSGVKBKVJE-ZDUSSCGKSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482173192 1183499720 /nfs/dbraw/zinc/49/97/20/1183499720.db2.gz HFEKRGZVZJYFES-QFBILLFUSA-N 2 0 346.519 2.352 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC/C=C\c1ccccc1)C12CC[NH+](CC1)C2 ZINC001268614217 1183529089 /nfs/dbraw/zinc/52/90/89/1183529089.db2.gz TYOSFWMSQLRMPF-ZXALVIFSSA-N 2 0 339.483 2.448 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1 ZINC001268651959 1183581010 /nfs/dbraw/zinc/58/10/10/1183581010.db2.gz TWYILBQYERMVIX-MJGOQNOKSA-N 2 0 331.504 2.444 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2cccnc2)C1 ZINC001268817449 1183737697 /nfs/dbraw/zinc/73/76/97/1183737697.db2.gz HMUPKBDAUHLINI-SFHVURJKSA-N 2 0 332.492 2.142 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001269129492 1183988551 /nfs/dbraw/zinc/98/85/51/1183988551.db2.gz LKCCILFEXRNHFK-CABCVRRESA-N 2 0 347.425 2.251 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001269192410 1184048922 /nfs/dbraw/zinc/04/89/22/1184048922.db2.gz XWXDYMXOBSTJBD-CHWSQXEVSA-N 2 0 336.307 2.103 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001269449202 1184273852 /nfs/dbraw/zinc/27/38/52/1184273852.db2.gz VPOSAQRWGIDWHD-QZTJIDSGSA-N 2 0 335.467 2.337 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001269600990 1184425110 /nfs/dbraw/zinc/42/51/10/1184425110.db2.gz BACCLSOTFGSQLH-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001269798777 1184627307 /nfs/dbraw/zinc/62/73/07/1184627307.db2.gz OBMFCMDMTOSFRC-SJORKVTESA-N 2 0 349.544 2.461 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCc3ccccc3)CC2)C1 ZINC001269943256 1184733064 /nfs/dbraw/zinc/73/30/64/1184733064.db2.gz LCJLEXBMIUNSCI-HXUWFJFHSA-N 2 0 343.515 2.399 10 0 EEAERP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270120792 1184865127 /nfs/dbraw/zinc/86/51/27/1184865127.db2.gz JBYAUBXGUHYJSN-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001270164555 1184892234 /nfs/dbraw/zinc/89/22/34/1184892234.db2.gz AGYCIJIIXQQGCP-QAPCUYQASA-N 2 0 339.499 2.437 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1)C12CC[NH+](CC1)C2 ZINC001270293482 1184994027 /nfs/dbraw/zinc/99/40/27/1184994027.db2.gz RQSMWZXOZMHWKX-LKJUBWIJSA-N 2 0 339.483 2.376 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001270595863 1185192140 /nfs/dbraw/zinc/19/21/40/1185192140.db2.gz QNHNFZUSMOFUFK-IEBWSBKVSA-N 2 0 331.504 2.221 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001270595861 1185192637 /nfs/dbraw/zinc/19/26/37/1185192637.db2.gz QNHNFZUSMOFUFK-HKUYNNGSSA-N 2 0 331.504 2.221 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270770776 1185380721 /nfs/dbraw/zinc/38/07/21/1185380721.db2.gz YAPWUUATXULDMM-CRAIPNDOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329989 1185412305 /nfs/dbraw/zinc/41/23/05/1185412305.db2.gz GEWOTRSVMJMMAS-JWJFLKPDSA-N 2 0 329.488 2.478 10 0 EEAERP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CC2=CCCCC2)CC1 ZINC001670808126 1185495641 /nfs/dbraw/zinc/49/56/41/1185495641.db2.gz WPGWJMPLJORYGJ-UHFFFAOYSA-N 2 0 349.519 2.084 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1nc2ccccc2o1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364033 1185517724 /nfs/dbraw/zinc/51/77/24/1185517724.db2.gz AJOPYBZULRRCPF-CABCVRRESA-N 2 0 344.459 2.421 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001482453812 1185861908 /nfs/dbraw/zinc/86/19/08/1185861908.db2.gz CWINORASKZDKJR-CVEARBPZSA-N 2 0 336.480 2.357 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)co1 ZINC001482455488 1185871727 /nfs/dbraw/zinc/87/17/27/1185871727.db2.gz MGMLVKNAZQODJK-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001271208509 1186079850 /nfs/dbraw/zinc/07/98/50/1186079850.db2.gz QZRLVXMDOTWWRZ-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482491853 1186277058 /nfs/dbraw/zinc/27/70/58/1186277058.db2.gz CAJZHCDICAPZOS-QAPCUYQASA-N 2 0 335.467 2.494 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCc1ccccc1 ZINC001482495934 1186398011 /nfs/dbraw/zinc/39/80/11/1186398011.db2.gz TZLQCEHVZFBDGT-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCc1cccs1 ZINC001482566690 1186860751 /nfs/dbraw/zinc/86/07/51/1186860751.db2.gz ZLHCGORRYSYNKO-INIZCTEOSA-N 2 0 335.517 2.117 10 0 EEAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1c(F)cccc1F ZINC001482569918 1186904732 /nfs/dbraw/zinc/90/47/32/1186904732.db2.gz IZVXWYKURLDENM-KRWDZBQOSA-N 2 0 339.430 2.291 10 0 EEAERP COCc1ccc(C[N@H+](C)CCN(C)C(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001482642247 1187473108 /nfs/dbraw/zinc/47/31/08/1187473108.db2.gz ATRWPCBCBZSUFX-LJQANCHMSA-N 2 0 347.503 2.065 10 0 EEAERP CN(CC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001482642760 1187473819 /nfs/dbraw/zinc/47/38/19/1187473819.db2.gz SJTVPICMPYLIFT-UHFFFAOYSA-N 2 0 343.462 2.298 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001279170759 1193503706 /nfs/dbraw/zinc/50/37/06/1193503706.db2.gz OWCNLSKJVROIHG-WBVHZDCISA-N 2 0 327.488 2.151 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001482685817 1187653959 /nfs/dbraw/zinc/65/39/59/1187653959.db2.gz HTWRAULHUKKUNZ-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1 ZINC001482848486 1187767620 /nfs/dbraw/zinc/76/76/20/1187767620.db2.gz OABUSNIAVPLYOZ-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482870790 1187790770 /nfs/dbraw/zinc/79/07/70/1187790770.db2.gz GWKBONKZYJQVNX-HOTGVXAUSA-N 2 0 342.487 2.494 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(CF)cc1 ZINC001483022500 1188011450 /nfs/dbraw/zinc/01/14/50/1188011450.db2.gz KDHAJQJPSVRFCF-JXCVUKRWSA-N 2 0 333.451 2.402 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F)[NH+](C)C ZINC001483022910 1188012740 /nfs/dbraw/zinc/01/27/40/1188012740.db2.gz LUULYNKAVWAUKB-PJHKVULZSA-N 2 0 333.451 2.415 10 0 EEAERP Cc1ccccc1OCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001483025414 1188021231 /nfs/dbraw/zinc/02/12/31/1188021231.db2.gz BPBXOTQMTHKDMQ-IPLHWJFFSA-N 2 0 345.487 2.120 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C)OC ZINC001670969514 1193535739 /nfs/dbraw/zinc/53/57/39/1193535739.db2.gz RKSQPEPOBMPQHK-FGTMMUONSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001483071053 1188422305 /nfs/dbraw/zinc/42/23/05/1188422305.db2.gz TYTPQBZWVGHWOD-KZSQQDEKSA-N 2 0 343.462 2.416 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001483092928 1188460951 /nfs/dbraw/zinc/46/09/51/1188460951.db2.gz LAWFOCRATUUSAS-SFAKSCPVSA-N 2 0 339.842 2.193 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\CNC/C(Cl)=C/Cl ZINC001483097874 1188473348 /nfs/dbraw/zinc/47/33/48/1188473348.db2.gz MWJHZNNXROPBOA-KOYPQEDDSA-N 2 0 334.291 2.440 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2nc(C)c(C)s2)CC[N@@H+]1C ZINC001483128393 1188604908 /nfs/dbraw/zinc/60/49/08/1188604908.db2.gz ATNWVIIBEDJRST-BYCMXARLSA-N 2 0 338.521 2.085 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691628934 1188784140 /nfs/dbraw/zinc/78/41/40/1188784140.db2.gz FLYXMQXFUABUBX-ZWKOTPCHSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001485881530 1193628355 /nfs/dbraw/zinc/62/83/55/1193628355.db2.gz HUNAIHFZOQLKQV-ZIAGYGMSSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001485908340 1193636461 /nfs/dbraw/zinc/63/64/61/1193636461.db2.gz QBQFZHRQQYCNQD-JKSUJKDBSA-N 2 0 347.507 2.157 10 0 EEAERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001485915766 1193638787 /nfs/dbraw/zinc/63/87/87/1193638787.db2.gz DEVOAQWLSWGXBM-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC001485938605 1193652067 /nfs/dbraw/zinc/65/20/67/1193652067.db2.gz MFMYVCHTKUCMGW-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[N@@H+](C)CC[C@H](C)F ZINC001409668480 1190168021 /nfs/dbraw/zinc/16/80/21/1190168021.db2.gz UWLNPDHTGVRLRN-LSDHHAIUSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001409672085 1190169291 /nfs/dbraw/zinc/16/92/91/1190169291.db2.gz ZSQWXLIKTPXEBI-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483247557 1190275256 /nfs/dbraw/zinc/27/52/56/1190275256.db2.gz ODFQYDHIBFKYPH-INIZCTEOSA-N 2 0 349.438 2.218 10 0 EEAERP CCc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001483297043 1190319592 /nfs/dbraw/zinc/31/95/92/1190319592.db2.gz VLPZWDOPBTXVQY-SUMWQHHRSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483338720 1190369360 /nfs/dbraw/zinc/36/93/60/1190369360.db2.gz IKALBXGTHIUBFK-VQIMIIECSA-N 2 0 329.488 2.007 10 0 EEAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483361656 1190401097 /nfs/dbraw/zinc/40/10/97/1190401097.db2.gz LFTVTSBTMNDDJI-OAHLLOKOSA-N 2 0 327.432 2.284 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1cncs1 ZINC001483359221 1190402114 /nfs/dbraw/zinc/40/21/14/1190402114.db2.gz DFEWSSHFZCEQJE-GDBMZVCRSA-N 2 0 338.521 2.200 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001483490348 1190504681 /nfs/dbraw/zinc/50/46/81/1190504681.db2.gz GYRZVJCFOSWESH-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001483504896 1190518535 /nfs/dbraw/zinc/51/85/35/1190518535.db2.gz IVHRDSOPRDNBKO-GJZGRUSLSA-N 2 0 333.467 2.446 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(C)s1 ZINC001483551099 1190534369 /nfs/dbraw/zinc/53/43/69/1190534369.db2.gz USNIXUOUKKDHBA-SJORKVTESA-N 2 0 335.517 2.444 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC001483620767 1190602818 /nfs/dbraw/zinc/60/28/18/1190602818.db2.gz MIFOMBUMCMUSMD-RHSMWYFYSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1nc(C)c(C[N@@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCCC2)o1 ZINC001409827989 1190663134 /nfs/dbraw/zinc/66/31/34/1190663134.db2.gz DBMCLZYRMMGGKJ-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cncc(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409837558 1190668249 /nfs/dbraw/zinc/66/82/49/1190668249.db2.gz LBVVGPICAOPAQM-MSOLQXFVSA-N 2 0 332.492 2.106 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cnccc2C)C1)[NH+](C)C ZINC001272566466 1190881140 /nfs/dbraw/zinc/88/11/40/1190881140.db2.gz XIIXYYYUAXGUSA-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001483767984 1191001639 /nfs/dbraw/zinc/00/16/39/1191001639.db2.gz SWKAMLKYRGWAGQ-CXAGYDPISA-N 2 0 331.451 2.185 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001483909361 1191120701 /nfs/dbraw/zinc/12/07/01/1191120701.db2.gz RYDOISRSMMPZSG-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCOCC2)C1)[NH+](CC)CC ZINC001484058119 1191180627 /nfs/dbraw/zinc/18/06/27/1191180627.db2.gz PKGQGKSQXPLECV-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001484147394 1191235968 /nfs/dbraw/zinc/23/59/68/1191235968.db2.gz UHMDRYNABICXBM-INIZCTEOSA-N 2 0 347.507 2.096 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccccc2)C1 ZINC001484153542 1191240108 /nfs/dbraw/zinc/24/01/08/1191240108.db2.gz XOPLQSWITKADJX-ICSRJNTNSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484381529 1191324237 /nfs/dbraw/zinc/32/42/37/1191324237.db2.gz RCDREUDRWRSKIR-HKUYNNGSSA-N 2 0 346.519 2.306 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)co1 ZINC001484520021 1191394275 /nfs/dbraw/zinc/39/42/75/1191394275.db2.gz CHYXYWOCOONXBH-WMZOPIPTSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001484537033 1191404165 /nfs/dbraw/zinc/40/41/65/1191404165.db2.gz YNMFECNXQGIYOD-OMXSBYDGSA-N 2 0 327.900 2.297 10 0 EEAERP CN(CCC[N@H+](C)CCCF)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001484759279 1191511825 /nfs/dbraw/zinc/51/18/25/1191511825.db2.gz XJIRAEYNDAQSQT-KRWDZBQOSA-N 2 0 333.467 2.339 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485155147 1191668100 /nfs/dbraw/zinc/66/81/00/1191668100.db2.gz IQYQGNMIFVIOCR-IRXDYDNUSA-N 2 0 347.503 2.341 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230543 1191699238 /nfs/dbraw/zinc/69/92/38/1191699238.db2.gz VRYRAHMZHLJXFZ-KGLIPLIRSA-N 2 0 338.521 2.310 10 0 EEAERP COCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485300386 1191725720 /nfs/dbraw/zinc/72/57/20/1191725720.db2.gz DJXRNGUTFDIMEI-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485300385 1191725817 /nfs/dbraw/zinc/72/58/17/1191725817.db2.gz DJXRNGUTFDIMEI-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486179523 1193716901 /nfs/dbraw/zinc/71/69/01/1193716901.db2.gz IVHAMOLRROSBQC-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC[C@@H]1CCCCO1)C(C)(C)C ZINC001486423020 1193936810 /nfs/dbraw/zinc/93/68/10/1193936810.db2.gz DTYRQPOZTGTPQZ-DLBZAZTESA-N 2 0 341.540 2.406 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(F)cn1)C(C)(C)C ZINC001486423586 1193938094 /nfs/dbraw/zinc/93/80/94/1193938094.db2.gz HVIJZPCPVPPYIX-MRXNPFEDSA-N 2 0 338.471 2.181 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](Cc2ccccn2)CC1 ZINC001486437922 1193957112 /nfs/dbraw/zinc/95/71/12/1193957112.db2.gz OPEJLGHIYMCYHX-MRXNPFEDSA-N 2 0 344.503 2.283 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC001486483157 1193996841 /nfs/dbraw/zinc/99/68/41/1193996841.db2.gz DDKUFPVLSOEEBV-UHFFFAOYSA-N 2 0 344.912 2.216 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001486515804 1194035789 /nfs/dbraw/zinc/03/57/89/1194035789.db2.gz QKTFWJFUURWJIY-AWEZNQCLSA-N 2 0 341.446 2.122 10 0 EEAERP Cn1cncc1CC(=O)NCC1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC001486519826 1194041271 /nfs/dbraw/zinc/04/12/71/1194041271.db2.gz YDNIZLUTGPYFOR-UHFFFAOYSA-N 2 0 342.418 2.050 10 0 EEAERP CC(C)([NH3+])CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702111220 1195728841 /nfs/dbraw/zinc/72/88/41/1195728841.db2.gz KUTFGDQBWWUBRH-FXAWDEMLSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273204200 1197515162 /nfs/dbraw/zinc/51/51/62/1197515162.db2.gz KGLNIRMQVYKBAZ-MRXNPFEDSA-N 2 0 340.471 2.441 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001410406842 1197814749 /nfs/dbraw/zinc/81/47/49/1197814749.db2.gz JFQMQRDCXDTRCU-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)[NH2+]C[C@H]1CCOC1 ZINC001410426486 1197864872 /nfs/dbraw/zinc/86/48/72/1197864872.db2.gz LDVWYZSFAPGUGG-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410457000 1197931788 /nfs/dbraw/zinc/93/17/88/1197931788.db2.gz SHTRSKBLJDATKZ-IPYPFGDCSA-N 2 0 338.521 2.118 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223010 1198095428 /nfs/dbraw/zinc/09/54/28/1198095428.db2.gz LMWMPCQAIOEZSF-IBGZPJMESA-N 2 0 334.504 2.400 10 0 EEAERP C[C@H](CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257667 1198114623 /nfs/dbraw/zinc/11/46/23/1198114623.db2.gz VBOHIWBQCDLOQX-DDBAPUKQSA-N 2 0 329.444 2.047 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC001410912528 1198567147 /nfs/dbraw/zinc/56/71/47/1198567147.db2.gz TVCYVPLBRVYBHV-IEBWSBKVSA-N 2 0 346.475 2.117 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001410981297 1198658192 /nfs/dbraw/zinc/65/81/92/1198658192.db2.gz NWSUUUXOUSJDER-GJZGRUSLSA-N 2 0 325.472 2.190 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/c3ccccc3)C(C)(C)C2)C1 ZINC001411016953 1198698080 /nfs/dbraw/zinc/69/80/80/1198698080.db2.gz NLTRWFOPHGITDT-CECVADTLSA-N 2 0 341.499 2.478 10 0 EEAERP CC(C)N(CC[N@H+](C)CCC[C@@H]1CCOC1)C(=O)[C@H]1CCC[NH+]1C ZINC001411198843 1198896524 /nfs/dbraw/zinc/89/65/24/1198896524.db2.gz JGJLNPYLCGFARY-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001411215964 1198924443 /nfs/dbraw/zinc/92/44/43/1198924443.db2.gz YWXBBNJQGJXZLE-IRXDYDNUSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C)c1 ZINC001411224686 1198935467 /nfs/dbraw/zinc/93/54/67/1198935467.db2.gz PKTVRTXGCDWYRX-QAPCUYQASA-N 2 0 346.519 2.352 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000810174367 1199331027 /nfs/dbraw/zinc/33/10/27/1199331027.db2.gz SEVOBMKWYKWWSD-CRAIPNDOSA-N 2 0 325.472 2.286 10 0 EEAERP CCC(C)(C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875979718 1199459119 /nfs/dbraw/zinc/45/91/19/1199459119.db2.gz DCDZGVKMTFZJON-HZPDHXFCSA-N 2 0 326.529 2.194 10 0 EEAERP Cc1c(Cl)cccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019010 1200410952 /nfs/dbraw/zinc/41/09/52/1200410952.db2.gz MGRRVSLGBHHNIF-HUUCEWRRSA-N 2 0 337.895 2.460 10 0 EEAERP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1Cl ZINC000870021146 1200411699 /nfs/dbraw/zinc/41/16/99/1200411699.db2.gz BCNAMGKTDBPMRA-HZPDHXFCSA-N 2 0 337.895 2.460 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3occc3s2)C[C@H]1C[NH+](C)C ZINC000870020855 1200411978 /nfs/dbraw/zinc/41/19/78/1200411978.db2.gz HUKXTQBYBYNWLL-CHWSQXEVSA-N 2 0 335.473 2.306 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870956395 1200975845 /nfs/dbraw/zinc/97/58/45/1200975845.db2.gz UJIIFIFGGCOPRY-UONOGXRCSA-N 2 0 340.265 2.049 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000813072411 1201098951 /nfs/dbraw/zinc/09/89/51/1201098951.db2.gz GQKVDLYJIGMCKM-IIDMSEBBSA-N 2 0 325.472 2.142 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000866711022 1201586784 /nfs/dbraw/zinc/58/67/84/1201586784.db2.gz ZUVWGBRBXYDTJB-GBESFXJTSA-N 2 0 337.423 2.207 10 0 EEAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000868129538 1201749464 /nfs/dbraw/zinc/74/94/64/1201749464.db2.gz ZWBNKVVRMUFIGZ-GOSISDBHSA-N 2 0 342.447 2.496 10 0 EEAERP COCCN1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886525149 1202518414 /nfs/dbraw/zinc/51/84/14/1202518414.db2.gz YJWYSIZMJQQCNO-WOZUAGRISA-N 2 0 343.515 2.350 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001274022969 1204330855 /nfs/dbraw/zinc/33/08/55/1204330855.db2.gz AHGYUOPBXMKURL-AATRIKPKSA-N 2 0 334.464 2.010 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001274028035 1204333815 /nfs/dbraw/zinc/33/38/15/1204333815.db2.gz ZHXCJWXRZUJKJR-SHCNBLLESA-N 2 0 330.476 2.025 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C)c2)CC[N@@H+]1C ZINC001274035776 1204339400 /nfs/dbraw/zinc/33/94/00/1204339400.db2.gz LJJJHKHRGMAZSC-ZYHOBAKYSA-N 2 0 329.488 2.487 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C)c2)CC[N@@H+]1C ZINC001274035775 1204339422 /nfs/dbraw/zinc/33/94/22/1204339422.db2.gz LJJJHKHRGMAZSC-OBNUAKFSSA-N 2 0 329.488 2.487 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001274120290 1204384068 /nfs/dbraw/zinc/38/40/68/1204384068.db2.gz YGLJJRBBULFZNQ-PLNGDYQASA-N 2 0 341.499 2.367 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCCCCF ZINC001274269533 1204980771 /nfs/dbraw/zinc/98/07/71/1204980771.db2.gz JMHJGUKEKQXQRS-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001274271433 1204982286 /nfs/dbraw/zinc/98/22/86/1204982286.db2.gz UHAIETOETYXJBN-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001274296679 1204988873 /nfs/dbraw/zinc/98/88/73/1204988873.db2.gz FMTFXCCYUKDKET-HIFRSBDPSA-N 2 0 338.883 2.012 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC(F)(F)F)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274431385 1205034249 /nfs/dbraw/zinc/03/42/49/1205034249.db2.gz ZBFSBSWQSYGTIC-FGPRAXNPSA-N 2 0 333.398 2.218 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCF)(c3ccccc3)CC2)C1 ZINC001274486625 1205055703 /nfs/dbraw/zinc/05/57/03/1205055703.db2.gz BCGNUTADEGHPRI-KRWDZBQOSA-N 2 0 347.478 2.058 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001274498154 1205057943 /nfs/dbraw/zinc/05/79/43/1205057943.db2.gz GDPVGCRSMKEDAX-IFOCYFHOSA-N 2 0 344.503 2.272 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274610280 1205099174 /nfs/dbraw/zinc/09/91/74/1205099174.db2.gz OCYRORUDYHIFIC-SNAWJCMRSA-N 2 0 329.488 2.278 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001275071844 1205249069 /nfs/dbraw/zinc/24/90/69/1205249069.db2.gz JAGQADIWOOHVGC-FGTMMUONSA-N 2 0 333.451 2.202 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001411611156 1205452561 /nfs/dbraw/zinc/45/25/61/1205452561.db2.gz JGRLUNISXGMMPP-OALUTQOASA-N 2 0 331.504 2.396 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001276011752 1205636059 /nfs/dbraw/zinc/63/60/59/1205636059.db2.gz MFSXGCFBABNDFE-LSDHHAIUSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001276048016 1205751079 /nfs/dbraw/zinc/75/10/79/1205751079.db2.gz LAPIBLRYHAWDHK-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CCC[NH2+]Cc1ccon1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001276150339 1205800152 /nfs/dbraw/zinc/80/01/52/1205800152.db2.gz IUSOZAOOMPHUDX-UHFFFAOYSA-N 2 0 336.480 2.125 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]CCCN1CCN(c2cccc(C)c2)CC1 ZINC000924608876 1206003211 /nfs/dbraw/zinc/00/32/11/1206003211.db2.gz FFNIPKKTTILTNY-LJQANCHMSA-N 2 0 347.503 2.248 10 0 EEAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925499261 1206119588 /nfs/dbraw/zinc/11/95/88/1206119588.db2.gz NQZDCDCSQGDRQW-AGIUHOORSA-N 2 0 328.403 2.200 10 0 EEAERP COc1ccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925584169 1206132319 /nfs/dbraw/zinc/13/23/19/1206132319.db2.gz KMWVOFNNNQQZSC-MOPGFXCFSA-N 2 0 345.487 2.183 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925646241 1206139325 /nfs/dbraw/zinc/13/93/25/1206139325.db2.gz USQYDVHYCYXVTF-BYCMXARLSA-N 2 0 337.489 2.229 10 0 EEAERP C(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)CCN1CC[NH2+]CC1 ZINC000925846847 1206159505 /nfs/dbraw/zinc/15/95/05/1206159505.db2.gz YAEZXSYXLJCQEO-PMPSAXMXSA-N 2 0 329.579 2.031 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)CC12CC[NH2+]CC2 ZINC000925848128 1206160176 /nfs/dbraw/zinc/16/01/76/1206160176.db2.gz ANBBBMHRJRXWLD-QZTJIDSGSA-N 2 0 328.456 2.209 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCSc3ccccc32)CC12CC[NH2+]CC2 ZINC000925850452 1206160619 /nfs/dbraw/zinc/16/06/19/1206160619.db2.gz ASCAHJLFSFXTRA-DZGCQCFKSA-N 2 0 332.469 2.498 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(F)c1 ZINC000925852760 1206160854 /nfs/dbraw/zinc/16/08/54/1206160854.db2.gz HHYGHTAJZHGYAW-TZMCWYRMSA-N 2 0 336.407 2.170 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)CC12CC[NH2+]CC2 ZINC000925859689 1206162501 /nfs/dbraw/zinc/16/25/01/1206162501.db2.gz XQUBEQWYMAQFFK-PBHICJAKSA-N 2 0 329.444 2.208 10 0 EEAERP CN1CCO[C@@H]([C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000925882296 1206163477 /nfs/dbraw/zinc/16/34/77/1206163477.db2.gz KGZXOVOHAYKFBO-BVPBIZIASA-N 2 0 337.895 2.429 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)n(C)n1 ZINC000926358139 1206215595 /nfs/dbraw/zinc/21/55/95/1206215595.db2.gz VHBSOUBANWJKOJ-HKUYNNGSSA-N 2 0 347.551 2.055 10 0 EEAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCOC23CCOCC3)[C@H](c2ccccc2)C1 ZINC000926634652 1206233385 /nfs/dbraw/zinc/23/33/85/1206233385.db2.gz HEOMROFPWIHPNL-CEXWTWQISA-N 2 0 330.472 2.260 10 0 EEAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929294730 1206463063 /nfs/dbraw/zinc/46/30/63/1206463063.db2.gz DNQOGZNZGQEKME-SFHVURJKSA-N 2 0 326.525 2.486 10 0 EEAERP Cc1nnsc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718010566 1211701176 /nfs/dbraw/zinc/70/11/76/1211701176.db2.gz HTBBFIQTBCYUNT-UHFFFAOYSA-N 2 0 346.500 2.353 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(F)(F)C(F)F ZINC000900481529 1234402190 /nfs/dbraw/zinc/40/21/90/1234402190.db2.gz RLEMWVJPWYTESR-GFCCVEGCSA-N 2 0 341.393 2.151 10 0 EEAERP CN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000900662420 1234625060 /nfs/dbraw/zinc/62/50/60/1234625060.db2.gz NXJWZWHCSMJEGL-QGZVFWFLSA-N 2 0 326.444 2.457 10 0 EEAERP C[NH+](C)CC[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000903376374 1240343861 /nfs/dbraw/zinc/34/38/61/1240343861.db2.gz CSEFTPAKSOVBAI-UXHICEINSA-N 2 0 346.519 2.307 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000903432608 1240458239 /nfs/dbraw/zinc/45/82/39/1240458239.db2.gz GOQLHDONBOTYAJ-ZBFHGGJFSA-N 2 0 335.879 2.343 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC000903492870 1240658705 /nfs/dbraw/zinc/65/87/05/1240658705.db2.gz JYLLDFOXHUFIPK-GHJWDPDVSA-N 2 0 326.799 2.191 10 0 EEAERP CC(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496563 1240672027 /nfs/dbraw/zinc/67/20/27/1240672027.db2.gz SKSUEQZKVOJQDO-VQIMIIECSA-N 2 0 331.504 2.385 10 0 EEAERP C(CC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C[NH+]1CCCC1 ZINC000903756934 1241851362 /nfs/dbraw/zinc/85/13/62/1241851362.db2.gz XMLYPFYBUURTER-PMACEKPBSA-N 3 0 335.536 2.343 10 0 EEAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903757060 1241851435 /nfs/dbraw/zinc/85/14/35/1241851435.db2.gz BCSFQMOVFQQNME-WOJBJXKFSA-N 2 0 328.456 2.058 10 0 EEAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903757057 1241851609 /nfs/dbraw/zinc/85/16/09/1241851609.db2.gz BCSFQMOVFQQNME-PMACEKPBSA-N 2 0 328.456 2.058 10 0 EEAERP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898863 1242394166 /nfs/dbraw/zinc/39/41/66/1242394166.db2.gz OSSNXUZLGRSWFZ-RYQLBKOJSA-N 2 0 336.524 2.371 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](COc3ccccc3)C2)cnn1C ZINC000903902813 1242409316 /nfs/dbraw/zinc/40/93/16/1242409316.db2.gz NOMHVRFPBUTXBO-ROUUACIJSA-N 2 0 342.487 2.247 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2cc3ccccc3o2)cnn1C ZINC000903922080 1242510717 /nfs/dbraw/zinc/51/07/17/1242510717.db2.gz UODFTUMMYGIUHD-OAHLLOKOSA-N 2 0 326.444 2.424 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000903937740 1242585747 /nfs/dbraw/zinc/58/57/47/1242585747.db2.gz QMHHOBBTQWJZBU-YLJYHZDGSA-N 2 0 337.471 2.293 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000827366077 1247956619 /nfs/dbraw/zinc/95/66/19/1247956619.db2.gz YXHTZFDWEBMXQQ-DOMZBBRYSA-N 2 0 338.883 2.281 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490924812 1258486629 /nfs/dbraw/zinc/48/66/29/1258486629.db2.gz OLSZDAOTNGVYCG-SHTZXODSSA-N 2 0 339.867 2.037 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](Cc3ocnc3C)CC[C@H]21 ZINC001490983097 1258538310 /nfs/dbraw/zinc/53/83/10/1258538310.db2.gz NQXZGAYPMGKCPM-DLBZAZTESA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CCCCC1 ZINC001491039442 1258595759 /nfs/dbraw/zinc/59/57/59/1258595759.db2.gz HTEHBJBEXJQWRT-QHLGLPELSA-N 2 0 327.900 2.488 10 0 EEAERP Cn1cncc1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001491075990 1258640965 /nfs/dbraw/zinc/64/09/65/1258640965.db2.gz NLVWHTSQINWOLJ-GASCZTMLSA-N 2 0 346.862 2.443 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491154066 1258730445 /nfs/dbraw/zinc/73/04/45/1258730445.db2.gz ZZULNXPIWCKRPR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccsc1 ZINC001491457223 1259102681 /nfs/dbraw/zinc/10/26/81/1259102681.db2.gz ORTMAISSZSMPFF-YOEHRIQHSA-N 2 0 335.517 2.117 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nsc2ccccc12)[NH+](C)C ZINC001491495667 1259145190 /nfs/dbraw/zinc/14/51/90/1259145190.db2.gz OZTKSDDZRVSYOG-IUODEOHRSA-N 2 0 334.489 2.231 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001273476551 1278575874 /nfs/dbraw/zinc/57/58/74/1278575874.db2.gz RIYAUWLWBFMMJU-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@](C[NH2+]C/C=C\Cl)(NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001481948553 1276938446 /nfs/dbraw/zinc/93/84/46/1276938446.db2.gz RYZARJGNJNIAEE-VJGCYYMXSA-N 2 0 325.884 2.099 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)C1 ZINC000850358049 1277197002 /nfs/dbraw/zinc/19/70/02/1277197002.db2.gz ZYNISVUQNOUTLF-LJQANCHMSA-N 2 0 336.439 2.419 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C(C)C ZINC000851657361 1277704428 /nfs/dbraw/zinc/70/44/28/1277704428.db2.gz YGFKTYPWMBKUHR-QZTJIDSGSA-N 2 0 332.492 2.162 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273610515 1281129547 /nfs/dbraw/zinc/12/95/47/1281129547.db2.gz OXPYYPBURZWVSO-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001488739193 1290158812 /nfs/dbraw/zinc/15/88/12/1290158812.db2.gz CTQKOCPPSXMQTH-GASCZTMLSA-N 2 0 348.491 2.014 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001488880098 1290273775 /nfs/dbraw/zinc/27/37/75/1290273775.db2.gz MCNIYMOJPYTGQC-SHTZXODSSA-N 2 0 344.459 2.152 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001490302593 1291137216 /nfs/dbraw/zinc/13/72/16/1291137216.db2.gz ITDYMQOWWLKEFB-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(C[N@H+](CCCNC(=O)Cc2c[nH]cn2)C2CC2)c(C)n1 ZINC001490386488 1291274847 /nfs/dbraw/zinc/27/48/47/1291274847.db2.gz UZHLIRPBZLCVCO-UHFFFAOYSA-N 2 0 341.459 2.135 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)c(C)n1 ZINC001490700956 1291634398 /nfs/dbraw/zinc/63/43/98/1291634398.db2.gz WFUCFDQBSFFGGU-SFHVURJKSA-N 2 0 344.503 2.025 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC001490739061 1291651617 /nfs/dbraw/zinc/65/16/17/1291651617.db2.gz DJLBCUVOUAHPJQ-QGZVFWFLSA-N 2 0 337.414 2.045 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@H]([NH2+]Cc1cncc(F)c1)C1CC1 ZINC001490740819 1291655302 /nfs/dbraw/zinc/65/53/02/1291655302.db2.gz GVSSUWAYPDNOSJ-SFHVURJKSA-N 2 0 348.466 2.081 10 0 EEAERP CN1c2ccc(CN3CCO[C@@H](CCC[NH+](C)C)C3)cc2CCC1=O ZINC000852760497 1292189534 /nfs/dbraw/zinc/18/95/34/1292189534.db2.gz GTHYZDMTKQHURB-SFHVURJKSA-N 2 0 345.487 2.138 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnoc3C)C2)ccn1 ZINC000856585683 1293572874 /nfs/dbraw/zinc/57/28/74/1293572874.db2.gz LPENBWDRPAREHL-GOSISDBHSA-N 2 0 330.432 2.483 10 0 EEAERP Cc1ccc(O[C@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)nc1 ZINC000858039751 1293992558 /nfs/dbraw/zinc/99/25/58/1293992558.db2.gz INEGNDDCNOBRRQ-IBGZPJMESA-N 2 0 346.519 2.259 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)CC1 ZINC000858129073 1294016119 /nfs/dbraw/zinc/01/61/19/1294016119.db2.gz BWGBMYWUYLUIQN-UHFFFAOYSA-N 2 0 329.419 2.467 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001413788071 1299697756 /nfs/dbraw/zinc/69/77/56/1299697756.db2.gz QONOECKFFPIAOQ-YSTOQKLRSA-N 2 0 341.499 2.355 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001278402837 1310058548 /nfs/dbraw/zinc/05/85/48/1310058548.db2.gz DECLMWWVQKBXTO-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001278500082 1310848062 /nfs/dbraw/zinc/84/80/62/1310848062.db2.gz YJMPQRHHPGUUIF-SFHVURJKSA-N 2 0 327.488 2.439 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001278703113 1317796406 /nfs/dbraw/zinc/79/64/06/1317796406.db2.gz DXQDSZUARIMSDO-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001279028415 1319033645 /nfs/dbraw/zinc/03/36/45/1319033645.db2.gz RHWLFJNZCWCFLD-GOSISDBHSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001264008606 1322583289 /nfs/dbraw/zinc/58/32/89/1322583289.db2.gz WAUAZXVRUFKFMB-RDBSUJKOSA-N 2 0 335.414 2.107 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001264039530 1322596568 /nfs/dbraw/zinc/59/65/68/1322596568.db2.gz WNJUYEDNRYGQSU-ZIAGYGMSSA-N 2 0 337.430 2.355 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)co1 ZINC001264520498 1322723800 /nfs/dbraw/zinc/72/38/00/1322723800.db2.gz MAZRLMUJTGFJSL-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCc1ccccc1Cl ZINC001264970902 1322821875 /nfs/dbraw/zinc/82/18/75/1322821875.db2.gz BTFGMXJFICWMKI-KRWDZBQOSA-N 2 0 337.895 2.415 10 0 EEAERP Cc1nc(CN(C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)oc1C ZINC001264986278 1322835142 /nfs/dbraw/zinc/83/51/42/1322835142.db2.gz FIAXBSKRUZUZFC-INIZCTEOSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@@H]1C[C@H](C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001265072846 1322907834 /nfs/dbraw/zinc/90/78/34/1322907834.db2.gz HUGLHLULYYHVSS-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001265083876 1322912092 /nfs/dbraw/zinc/91/20/92/1322912092.db2.gz UUWWNQCUQZHKQW-SJLPKXTDSA-N 2 0 349.523 2.218 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235615 1323002212 /nfs/dbraw/zinc/00/22/12/1323002212.db2.gz SSOOKXZPNMMGNY-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCOc1ccccc1)C1CC1 ZINC001265366114 1323099448 /nfs/dbraw/zinc/09/94/48/1323099448.db2.gz IRQYECHGFGPDFS-OALUTQOASA-N 2 0 345.487 2.034 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001265498860 1323184388 /nfs/dbraw/zinc/18/43/88/1323184388.db2.gz KFOBWBORSJWKOH-QBPKDAKJSA-N 2 0 325.472 2.380 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001265613424 1323267039 /nfs/dbraw/zinc/26/70/39/1323267039.db2.gz OKXZDPYYJXBKNY-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001265718339 1323348943 /nfs/dbraw/zinc/34/89/43/1323348943.db2.gz LTECZFZWAUSHES-SFFUCWETSA-N 2 0 337.483 2.190 10 0 EEAERP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001265718338 1323349327 /nfs/dbraw/zinc/34/93/27/1323349327.db2.gz LTECZFZWAUSHES-QXDIGNSFSA-N 2 0 337.483 2.190 10 0 EEAERP C[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)C[C@H]1CC(C)(C)CO1 ZINC001265865239 1323438581 /nfs/dbraw/zinc/43/85/81/1323438581.db2.gz WBCQKDFLJPVABJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCc2ccsc2)C1)[NH+](C)C ZINC001266016323 1323568037 /nfs/dbraw/zinc/56/80/37/1323568037.db2.gz WYHZPNYZVDJFQW-SJORKVTESA-N 2 0 337.533 2.459 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001266037763 1323588279 /nfs/dbraw/zinc/58/82/79/1323588279.db2.gz XHTMUWIGEQILKM-OALUTQOASA-N 2 0 329.488 2.009 10 0 EEAERP Cc1nccnc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266074400 1323629828 /nfs/dbraw/zinc/62/98/28/1323629828.db2.gz ADRCXBHSWCFIOM-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001266075430 1323631099 /nfs/dbraw/zinc/63/10/99/1323631099.db2.gz NIMLMWUKUCVZEH-SJORKVTESA-N 2 0 332.492 2.331 10 0 EEAERP Cc1ncoc1C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266145079 1323715922 /nfs/dbraw/zinc/71/59/22/1323715922.db2.gz JFGOMBSAEHRRCS-UHFFFAOYSA-N 2 0 346.475 2.082 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001266146759 1323716576 /nfs/dbraw/zinc/71/65/76/1323716576.db2.gz RDVCFNMWDGDDNF-UMVBOHGHSA-N 2 0 338.883 2.060 10 0 EEAERP CCOCC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001281021049 1324723020 /nfs/dbraw/zinc/72/30/20/1324723020.db2.gz GWYCMGPABZOHQM-UHFFFAOYSA-N 2 0 337.508 2.012 10 0 EEAERP CCCCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282664226 1325759793 /nfs/dbraw/zinc/75/97/93/1325759793.db2.gz ZVDXGMFTQITSNU-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCCCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282678481 1325763963 /nfs/dbraw/zinc/76/39/63/1325763963.db2.gz UJLHDMSYYQQTJB-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001282715483 1325771219 /nfs/dbraw/zinc/77/12/19/1325771219.db2.gz WILBZCLPKZSYFN-UMVBOHGHSA-N 2 0 349.441 2.496 10 0 EEAERP CN(C(=O)CC[NH+]1CCCCC1)[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001283556585 1326129909 /nfs/dbraw/zinc/12/99/09/1326129909.db2.gz KECPPOBWXLGHGU-DXWDOBMASA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001284031136 1326371401 /nfs/dbraw/zinc/37/14/01/1326371401.db2.gz JBLRATMKZCMBCI-QZTJIDSGSA-N 2 0 347.503 2.293 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)C[NH+]1CCCC1 ZINC001284652062 1326647462 /nfs/dbraw/zinc/64/74/62/1326647462.db2.gz DSWVUNFGCIMMCL-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001284927172 1326779285 /nfs/dbraw/zinc/77/92/85/1326779285.db2.gz AKKYYLQZLBARKI-MOPGFXCFSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1oncc1CN1CC=C(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001284995428 1326818189 /nfs/dbraw/zinc/81/81/89/1326818189.db2.gz POFOFLMJUBVWCZ-GASCZTMLSA-N 2 0 346.475 2.104 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001491650827 1330198855 /nfs/dbraw/zinc/19/88/55/1330198855.db2.gz SQJMMGOZIYQJNA-SJCJKPOMSA-N 2 0 339.430 2.388 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001491685212 1330205427 /nfs/dbraw/zinc/20/54/27/1330205427.db2.gz YFKVLHJBQOBUSM-ZBFHGGJFSA-N 2 0 338.521 2.166 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001491890951 1330291459 /nfs/dbraw/zinc/29/14/59/1330291459.db2.gz GZBDDYGGBUVGET-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccnc(Cl)c2)C1 ZINC001491947286 1330339246 /nfs/dbraw/zinc/33/92/46/1330339246.db2.gz TUXHUKUVPYECQY-HNNXBMFYSA-N 2 0 338.883 2.110 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001492128750 1330981568 /nfs/dbraw/zinc/98/15/68/1330981568.db2.gz DOPQHIGRTWFFCE-ZDUSSCGKSA-N 2 0 326.872 2.060 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001492129585 1330982520 /nfs/dbraw/zinc/98/25/20/1330982520.db2.gz QKLKZJNZNBLAPX-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001492144290 1331006222 /nfs/dbraw/zinc/00/62/22/1331006222.db2.gz UVHGYVWOPJIAGQ-IRXDYDNUSA-N 2 0 348.491 2.246 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001316741561 1331485256 /nfs/dbraw/zinc/48/52/56/1331485256.db2.gz BJGYCEAGOGXZAJ-RBUKOAKNSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001316836215 1331923856 /nfs/dbraw/zinc/92/38/56/1331923856.db2.gz VDENYBAUUZGZPY-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001316934838 1332000242 /nfs/dbraw/zinc/00/02/42/1332000242.db2.gz XMRGXEAHEJZHPA-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001316995280 1332036149 /nfs/dbraw/zinc/03/61/49/1332036149.db2.gz OVJQAKRYCBYHDD-IEBWSBKVSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001317145701 1332098632 /nfs/dbraw/zinc/09/86/32/1332098632.db2.gz CTSWXXBIBZPJOX-UXHICEINSA-N 2 0 343.515 2.460 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001317161138 1332105632 /nfs/dbraw/zinc/10/56/32/1332105632.db2.gz AEAHPCPNFQXVCF-CVEARBPZSA-N 2 0 335.517 2.071 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001317245938 1332150690 /nfs/dbraw/zinc/15/06/90/1332150690.db2.gz JEHBCVOQNRBEJJ-PKOBYXMFSA-N 2 0 347.503 2.261 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001317304917 1332172060 /nfs/dbraw/zinc/17/20/60/1332172060.db2.gz QYYFOLPQBLKHRN-DOTOQJQBSA-N 2 0 325.472 2.334 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001317344840 1332188143 /nfs/dbraw/zinc/18/81/43/1332188143.db2.gz VBRXOIFRABTADK-KRWDZBQOSA-N 2 0 349.906 2.416 10 0 EEAERP Cc1ccccc1OCCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001317622866 1332332898 /nfs/dbraw/zinc/33/28/98/1332332898.db2.gz DXNOXBVXLVBQHN-UHFFFAOYSA-N 2 0 347.503 2.154 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2cc(F)ccc2F)CC1 ZINC001317644533 1332345476 /nfs/dbraw/zinc/34/54/76/1332345476.db2.gz SIMFEDYQSGMRDZ-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001317665095 1332359019 /nfs/dbraw/zinc/35/90/19/1332359019.db2.gz OCIKSAXLIVEBNS-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cc(Cl)ccc1C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001317666369 1332359781 /nfs/dbraw/zinc/35/97/81/1332359781.db2.gz WQHIVXPJCRLPJD-UHFFFAOYSA-N 2 0 341.883 2.237 10 0 EEAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCOC)C1 ZINC001317759866 1332399764 /nfs/dbraw/zinc/39/97/64/1332399764.db2.gz UXVDTTCLUBPAFH-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001318794830 1332599524 /nfs/dbraw/zinc/59/95/24/1332599524.db2.gz SVKMURCICILLIH-AEFFLSMTSA-N 2 0 348.491 2.266 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)CC1 ZINC001319777410 1332765162 /nfs/dbraw/zinc/76/51/62/1332765162.db2.gz GKCDZURBIIXGRB-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C[NH2+]CCCF ZINC001319871244 1332789717 /nfs/dbraw/zinc/78/97/17/1332789717.db2.gz VHTABSQEMGAVCD-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1OC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320640788 1332927267 /nfs/dbraw/zinc/92/72/67/1332927267.db2.gz UXRVDGGACXZOSI-WBVHZDCISA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cscn1)[NH+]1CCCC1 ZINC001320646017 1332928779 /nfs/dbraw/zinc/92/87/79/1332928779.db2.gz VNMZGKYAGXXYKQ-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001320998991 1332994591 /nfs/dbraw/zinc/99/45/91/1332994591.db2.gz SDGMBMANSSGGIG-PYTPGESOSA-N 2 0 330.476 2.061 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1Cl ZINC001320998557 1332994714 /nfs/dbraw/zinc/99/47/14/1332994714.db2.gz OTBAEKXGIVAZQP-MPNWYJEXSA-N 2 0 339.842 2.335 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001321189689 1333041075 /nfs/dbraw/zinc/04/10/75/1333041075.db2.gz PJKGJRLNNCTITO-DJSXQKDESA-N 2 0 331.435 2.169 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2cncs2)CC1 ZINC001321315578 1333072151 /nfs/dbraw/zinc/07/21/51/1333072151.db2.gz PBZOPSSZXHHKMN-ARJAWSKDSA-N 2 0 336.505 2.026 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2Cl)C1 ZINC001321391800 1333093225 /nfs/dbraw/zinc/09/32/25/1333093225.db2.gz HZWGHRYLKXXLHI-SFAKSCPVSA-N 2 0 339.842 2.193 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)cs1 ZINC001322843715 1333339405 /nfs/dbraw/zinc/33/94/05/1333339405.db2.gz HCUPBNHFVZCPND-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)CC[NH+]1CCCCC1 ZINC001322843877 1333339534 /nfs/dbraw/zinc/33/95/34/1333339534.db2.gz KZNLVAZOPBTHFQ-UHFFFAOYSA-N 2 0 336.455 2.035 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001324261361 1333644731 /nfs/dbraw/zinc/64/47/31/1333644731.db2.gz ARMGOSUMQPFZDS-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](Cc2cncs2)CC1 ZINC001324340629 1333661636 /nfs/dbraw/zinc/66/16/36/1333661636.db2.gz VCBNJBPYJVBQPD-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP CCCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325055551 1333820308 /nfs/dbraw/zinc/82/03/08/1333820308.db2.gz UMCYCUOXVMIAKA-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)no1 ZINC001326439086 1334094551 /nfs/dbraw/zinc/09/45/51/1334094551.db2.gz UYUUKABVELGBPD-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001329074366 1334580229 /nfs/dbraw/zinc/58/02/29/1334580229.db2.gz MUDXJGKYNHYPDA-RYUDHWBXSA-N 2 0 341.415 2.236 10 0 EEAERP CC(C)OCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001329256943 1334616027 /nfs/dbraw/zinc/61/60/27/1334616027.db2.gz QUKAAOHSARMVLL-AOCRQIFASA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccns2)C1)n1ccnc1 ZINC001330662278 1334883844 /nfs/dbraw/zinc/88/38/44/1334883844.db2.gz LZNXIWCJPMYYFZ-KKUMJFAQSA-N 2 0 347.488 2.018 10 0 EEAERP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001330919263 1334927431 /nfs/dbraw/zinc/92/74/31/1334927431.db2.gz UNVXBQGEAQLHGR-ZIAGYGMSSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001332051564 1335714842 /nfs/dbraw/zinc/71/48/42/1335714842.db2.gz SMFPQFINNWSTMR-BBRMVZONSA-N 2 0 336.480 2.102 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001351005642 1337780934 /nfs/dbraw/zinc/78/09/34/1337780934.db2.gz MBDNWDSFLSCWEW-UHFFFAOYSA-N 2 0 329.554 2.441 10 0 EEAERP C[C@H]1CN(C(=[NH2+])NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000849095174 1338839336 /nfs/dbraw/zinc/83/93/36/1338839336.db2.gz LUUGMJXACIPXAC-YJBOKZPZSA-N 2 0 330.476 2.142 10 0 EEAERP CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C)(c2ccccc2)CC1 ZINC001434187570 1341787834 /nfs/dbraw/zinc/78/78/34/1341787834.db2.gz JEDQFMNODFXPGO-GOSISDBHSA-N 2 0 329.488 2.251 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001669313053 1356143451 /nfs/dbraw/zinc/14/34/51/1356143451.db2.gz NTCPFPLMFDEGRI-QAPCUYQASA-N 2 0 337.508 2.057 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOC(C)C)C1 ZINC001436324213 1342028116 /nfs/dbraw/zinc/02/81/16/1342028116.db2.gz COEGFSTYSBYSCZ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001567507741 1342775292 /nfs/dbraw/zinc/77/52/92/1342775292.db2.gz JHHYLXODPAMHCL-INIZCTEOSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1ccccn1 ZINC001567648633 1342801456 /nfs/dbraw/zinc/80/14/56/1342801456.db2.gz BDMWTXMCEVOPLW-KRWDZBQOSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)no1 ZINC001569689664 1342924355 /nfs/dbraw/zinc/92/43/55/1342924355.db2.gz GCCTVKKQBNYMFS-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569820762 1342952167 /nfs/dbraw/zinc/95/21/67/1342952167.db2.gz UQWVIPQUIGWMES-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001676874335 1357227963 /nfs/dbraw/zinc/22/79/63/1357227963.db2.gz XUNJIKYZZZXQIV-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP COCCC[NH2+][C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001677028564 1357265548 /nfs/dbraw/zinc/26/55/48/1357265548.db2.gz PSCNNUINBWZSAH-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC001677033237 1357266408 /nfs/dbraw/zinc/26/64/08/1357266408.db2.gz VPJHXGWTTWZUAA-KRWDZBQOSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306172 1357310253 /nfs/dbraw/zinc/31/02/53/1357310253.db2.gz CMRNOBINIMEFPL-NWDGAFQWSA-N 2 0 336.307 2.378 10 0 EEAERP CN1Cc2ccccc2[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC001647336867 1353235306 /nfs/dbraw/zinc/23/53/06/1353235306.db2.gz YQMJEPNEOVJOBV-SFHVURJKSA-N 2 0 330.476 2.204 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001656571510 1354249111 /nfs/dbraw/zinc/24/91/11/1354249111.db2.gz QXRWSFOBALUBMQ-OLZOCXBDSA-N 2 0 336.307 2.474 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)CC2CCOCC2)cc1 ZINC001660333997 1354442645 /nfs/dbraw/zinc/44/26/45/1354442645.db2.gz SXZBPIWBAQRKHV-UHFFFAOYSA-N 2 0 347.503 2.227 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001660345294 1354444739 /nfs/dbraw/zinc/44/47/39/1354444739.db2.gz DNBJBVYWYSLIRM-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1ccc(F)cc1C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660368987 1354450469 /nfs/dbraw/zinc/45/04/69/1354450469.db2.gz OZTPAPUENNSXGY-UHFFFAOYSA-N 2 0 333.451 2.168 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001661027821 1354575940 /nfs/dbraw/zinc/57/59/40/1354575940.db2.gz COHZSYBLEMROAE-MSOLQXFVSA-N 2 0 339.524 2.255 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCCc2ccsc2)C2CC2)C1 ZINC001661192915 1354603112 /nfs/dbraw/zinc/60/31/12/1354603112.db2.gz NJWQRRDJNCVZCF-IAGOWNOFSA-N 2 0 335.517 2.117 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661842613 1354707553 /nfs/dbraw/zinc/70/75/53/1354707553.db2.gz QQCPICVPGDNGFH-QWHCGFSZSA-N 2 0 334.291 2.085 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001663105269 1354915980 /nfs/dbraw/zinc/91/59/80/1354915980.db2.gz SFHCILRJROKYAN-WBVHZDCISA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001663941262 1355057940 /nfs/dbraw/zinc/05/79/40/1355057940.db2.gz IOYKQXMYVFVAIC-QLFBSQMISA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cc(C2CC2)no1 ZINC001664492560 1355176752 /nfs/dbraw/zinc/17/67/52/1355176752.db2.gz VCXWTGBENBQIKZ-SFHVURJKSA-N 2 0 348.491 2.363 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)C[NH+]2CC[C@@H](C)C2)C(C)C)o1 ZINC001664539146 1355189799 /nfs/dbraw/zinc/18/97/99/1355189799.db2.gz BLIJTCWVIGJDAK-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001665642604 1355345640 /nfs/dbraw/zinc/34/56/40/1355345640.db2.gz WZSOYGUKHGVSEB-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]CCF)C1)C12CCC[NH+](CCC1)C2 ZINC001666120682 1355458626 /nfs/dbraw/zinc/45/86/26/1355458626.db2.gz YQWIIXZGSJEHIV-INIZCTEOSA-N 2 0 325.472 2.050 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668273399 1355912916 /nfs/dbraw/zinc/91/29/16/1355912916.db2.gz HFWIOXUOOHHOAF-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001668308634 1355920094 /nfs/dbraw/zinc/92/00/94/1355920094.db2.gz AOIDUXKEZABCAT-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668308893 1355920206 /nfs/dbraw/zinc/92/02/06/1355920206.db2.gz BTISGMRGNIRSQD-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668310644 1355921389 /nfs/dbraw/zinc/92/13/89/1355921389.db2.gz WWGXDORYFRHZNM-HIFRSBDPSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)CC[N@@H+]1C ZINC001668833026 1356015701 /nfs/dbraw/zinc/01/57/01/1356015701.db2.gz FGNQKFMHULIUDF-BZOVTKSESA-N 2 0 349.906 2.485 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccns1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865006 1356027763 /nfs/dbraw/zinc/02/77/63/1356027763.db2.gz OHCMYBJKSXTSFB-LIMHQNJXSA-N 2 0 348.516 2.312 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC001670144541 1356284978 /nfs/dbraw/zinc/28/49/78/1356284978.db2.gz PWBAKFOCKTXXFX-MRXNPFEDSA-N 2 0 338.521 2.182 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)c1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001670344365 1356323953 /nfs/dbraw/zinc/32/39/53/1356323953.db2.gz GJYLQNUUFFFFNP-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001670352533 1356325372 /nfs/dbraw/zinc/32/53/72/1356325372.db2.gz FCJGAPVDQMNIOU-KBPBESRZSA-N 2 0 336.480 2.102 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001671868212 1356427069 /nfs/dbraw/zinc/42/70/69/1356427069.db2.gz QFJYMXSICJTCEU-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001672365474 1356509746 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10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCC[C@H]2CCOC2)C1 ZINC001442216783 1096510253 /nfs/dbraw/zinc/51/02/53/1096510253.db2.gz LLBSFEISEMJWAM-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)on1 ZINC001442223494 1096521090 /nfs/dbraw/zinc/52/10/90/1096521090.db2.gz VPBSEZPHZCYQFF-ZBFHGGJFSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001442269756 1096575049 /nfs/dbraw/zinc/57/50/49/1096575049.db2.gz CGHLMHRQQIDJCD-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccn1 ZINC001442303035 1096617815 /nfs/dbraw/zinc/61/78/15/1096617815.db2.gz BSXPSHIBXNOPEP-SJORKVTESA-N 2 0 332.492 2.331 10 0 EEAERP Cc1nc(C(C)C)oc1CN(C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001442411290 1096731117 /nfs/dbraw/zinc/73/11/17/1096731117.db2.gz DXEHNRXXYFSOCU-UHFFFAOYSA-N 2 0 336.480 2.139 10 0 EEAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001442577575 1096940800 /nfs/dbraw/zinc/94/08/00/1096940800.db2.gz QNELTTRPPGFUPR-INIZCTEOSA-N 2 0 328.460 2.058 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC001442801870 1097183578 /nfs/dbraw/zinc/18/35/78/1097183578.db2.gz QOYHPNAKISJBEY-GOSISDBHSA-N 2 0 340.471 2.267 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@@H]1CCCCO1 ZINC001442928687 1097338215 /nfs/dbraw/zinc/33/82/15/1097338215.db2.gz BCQGNFONODKMND-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001443110697 1097524441 /nfs/dbraw/zinc/52/44/41/1097524441.db2.gz VPKXFAUMKMKSPE-IRXDYDNUSA-N 2 0 337.414 2.094 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001444310797 1098868663 /nfs/dbraw/zinc/86/86/63/1098868663.db2.gz PQXGDVPGYYYGHP-ZMSDIMECSA-N 2 0 335.467 2.316 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@H]1CCc2ccccc21 ZINC001479812637 1099074853 /nfs/dbraw/zinc/07/48/53/1099074853.db2.gz PLZJSLNUCCXWSI-MOPGFXCFSA-N 2 0 343.515 2.496 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001444680202 1099525346 /nfs/dbraw/zinc/52/53/46/1099525346.db2.gz UODDCPKMUNVCDS-ULQDDVLXSA-N 2 0 349.523 2.131 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001444687902 1099536944 /nfs/dbraw/zinc/53/69/44/1099536944.db2.gz HWUSNOSNPXCNCJ-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001480060668 1099586756 /nfs/dbraw/zinc/58/67/56/1099586756.db2.gz ULTRWJUMFWSDLB-QUCCMNQESA-N 2 0 343.515 2.364 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001480062909 1099590601 /nfs/dbraw/zinc/59/06/01/1099590601.db2.gz XYRRCNBKJJORAY-HKUYNNGSSA-N 2 0 347.478 2.194 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c(C)n1 ZINC001480237556 1099867207 /nfs/dbraw/zinc/86/72/07/1099867207.db2.gz CSWCKXNBMXQIKO-KDURUIRLSA-N 2 0 344.503 2.311 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)c1 ZINC001480238871 1099871093 /nfs/dbraw/zinc/87/10/93/1099871093.db2.gz HFCOLSUZDGBQMM-CEXWTWQISA-N 2 0 344.503 2.247 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001480293761 1100007985 /nfs/dbraw/zinc/00/79/85/1100007985.db2.gz AXNYWNPZICIFKR-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001480523428 1100353333 /nfs/dbraw/zinc/35/33/33/1100353333.db2.gz YDSWGCLFPNNDID-IAGOWNOFSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001480571883 1100415701 /nfs/dbraw/zinc/41/57/01/1100415701.db2.gz OEGPXRKCWYOEJI-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CNC/C(Cl)=C\Cl)NC(=O)Cc1cn2c(n1)CCCC2 ZINC001445362967 1100599483 /nfs/dbraw/zinc/59/94/83/1100599483.db2.gz MAEAEBGSFSZSBW-LAPSENCUSA-N 2 0 345.274 2.175 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001445366595 1100603108 /nfs/dbraw/zinc/60/31/08/1100603108.db2.gz MZZKVJQSRJOLFX-PBHICJAKSA-N 2 0 333.451 2.070 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496208817 1100749833 /nfs/dbraw/zinc/74/98/33/1100749833.db2.gz YLOFTXHMWVXHSB-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495137493 1100808807 /nfs/dbraw/zinc/80/88/07/1100808807.db2.gz LLPHDUMIRYJPPT-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001496246692 1100816389 /nfs/dbraw/zinc/81/63/89/1100816389.db2.gz APFKQVWIVQGXLD-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC001446458686 1100881004 /nfs/dbraw/zinc/88/10/04/1100881004.db2.gz GCFIHIYZUHBDIU-IBGZPJMESA-N 2 0 347.503 2.254 10 0 EEAERP Cc1cc(CNC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CCCCC2)no1 ZINC001496327955 1100923528 /nfs/dbraw/zinc/92/35/28/1100923528.db2.gz WMGHJKZJVGLQTQ-WMZOPIPTSA-N 2 0 348.491 2.089 10 0 EEAERP CCC[NH2+]C[C@](C)(NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001495261788 1100958120 /nfs/dbraw/zinc/95/81/20/1100958120.db2.gz CWVBCEQLOITXJX-SFHVURJKSA-N 2 0 327.432 2.165 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001496404715 1100997655 /nfs/dbraw/zinc/99/76/55/1100997655.db2.gz SPPPRDIAMAJVMZ-SJLPKXTDSA-N 2 0 348.491 2.192 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3F)C2)C1 ZINC001446545178 1101009054 /nfs/dbraw/zinc/00/90/54/1101009054.db2.gz CXFCQTGDXVNYSI-BEFAXECRSA-N 2 0 333.451 2.248 10 0 EEAERP C[C@@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496424813 1101016045 /nfs/dbraw/zinc/01/60/45/1101016045.db2.gz ANGVRASWLLMIMH-APWZRJJASA-N 2 0 347.503 2.103 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001496483935 1101075235 /nfs/dbraw/zinc/07/52/35/1101075235.db2.gz VSJFISYEPNITLO-KSSFIOAISA-N 2 0 348.491 2.220 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001495807248 1101622215 /nfs/dbraw/zinc/62/22/15/1101622215.db2.gz BXTGYQJHLIILHB-RDTXWAMCSA-N 2 0 333.451 2.251 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001446942017 1101631013 /nfs/dbraw/zinc/63/10/13/1101631013.db2.gz NVMXXBWFEFYIHE-QAPCUYQASA-N 2 0 348.491 2.043 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001495813331 1101631757 /nfs/dbraw/zinc/63/17/57/1101631757.db2.gz UARIKPVSTSPSFO-AWEZNQCLSA-N 2 0 344.459 2.200 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)sn1 ZINC001496925551 1101728489 /nfs/dbraw/zinc/72/84/89/1101728489.db2.gz UPXZFDXXEAUNLS-GDBMZVCRSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001447076968 1101937477 /nfs/dbraw/zinc/93/74/77/1101937477.db2.gz JEFQLOHDTRPCKF-DLBZAZTESA-N 2 0 347.507 2.016 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cn1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496095584 1102049158 /nfs/dbraw/zinc/04/91/58/1102049158.db2.gz FNBRDTQRFODORN-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccn(C)n1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001496130070 1102115086 /nfs/dbraw/zinc/11/50/86/1102115086.db2.gz SIURQBBHUHOKOE-INIZCTEOSA-N 2 0 349.523 2.011 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001447162952 1102115878 /nfs/dbraw/zinc/11/58/78/1102115878.db2.gz NHSLFGMSUMBRTO-XHSDSOJGSA-N 2 0 343.462 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001447165673 1102118211 /nfs/dbraw/zinc/11/82/11/1102118211.db2.gz NMANZRZNHUMEDZ-MRXNPFEDSA-N 2 0 348.491 2.363 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001497261992 1102216096 /nfs/dbraw/zinc/21/60/96/1102216096.db2.gz GPUYLDJSPWOVSO-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497312440 1102298949 /nfs/dbraw/zinc/29/89/49/1102298949.db2.gz MOFWDJNNYMBDJC-BEFAXECRSA-N 2 0 333.451 2.296 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cnn(C(C)(C)C)c2)CCC1 ZINC001447252009 1102301135 /nfs/dbraw/zinc/30/11/35/1102301135.db2.gz SPBRLTRYPYHQAV-UHFFFAOYSA-N 2 0 349.523 2.107 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001447370565 1102543097 /nfs/dbraw/zinc/54/30/97/1102543097.db2.gz JXDVTCXGCVKTOQ-QGZVFWFLSA-N 2 0 335.467 2.448 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001497487253 1102566403 /nfs/dbraw/zinc/56/64/03/1102566403.db2.gz WAIJQUMAUIWVQJ-UHFFFAOYSA-N 2 0 333.451 2.190 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1COC2(CN([C@H](C)c3ccccc3)C2)C1 ZINC001447419425 1102619190 /nfs/dbraw/zinc/61/91/90/1102619190.db2.gz SETNEFJBELWDPM-SJLPKXTDSA-N 2 0 345.487 2.049 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCCC(F)(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC001497579320 1102693403 /nfs/dbraw/zinc/69/34/03/1102693403.db2.gz NDEUDYHZGFLKBM-NHZBNJEXSA-N 2 0 347.425 2.323 10 0 EEAERP CC1([NH2+]CC[C@@H]2CCOC2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001447551362 1102846142 /nfs/dbraw/zinc/84/61/42/1102846142.db2.gz RXUQZIMJFXMHFD-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC(F)(F)F)CC1(C)C ZINC001447586783 1102925202 /nfs/dbraw/zinc/92/52/02/1102925202.db2.gz IAPZBOBCDJXEPE-ZDUSSCGKSA-N 2 0 337.430 2.496 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)c1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497910030 1103307789 /nfs/dbraw/zinc/30/77/89/1103307789.db2.gz FAWKTOOHPBCZBC-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497927284 1103350243 /nfs/dbraw/zinc/35/02/43/1103350243.db2.gz UEHYTBAGGNLTEJ-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497962464 1103422814 /nfs/dbraw/zinc/42/28/14/1103422814.db2.gz IDRKCJDSUJELSG-IAGOWNOFSA-N 2 0 331.504 2.228 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001447925952 1103614717 /nfs/dbraw/zinc/61/47/17/1103614717.db2.gz AJKTWLRLPOWIJI-QWHCGFSZSA-N 2 0 341.883 2.369 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001494157769 1103619373 /nfs/dbraw/zinc/61/93/73/1103619373.db2.gz SHYCALQGCIIJQB-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2C[NH+](CCCCC(F)(F)F)C2)CC1 ZINC001494599201 1104185973 /nfs/dbraw/zinc/18/59/73/1104185973.db2.gz RGWKDTXVFLKLCZ-UHFFFAOYSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1oncc1C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448282416 1104314300 /nfs/dbraw/zinc/31/43/00/1104314300.db2.gz RFKBZELAKCAXFU-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001494951321 1104594955 /nfs/dbraw/zinc/59/49/55/1104594955.db2.gz XOHQRFLOCCFYGC-YJBOKZPZSA-N 2 0 332.492 2.284 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495060110 1104697964 /nfs/dbraw/zinc/69/79/64/1104697964.db2.gz XOWZGEGFNGNEMO-HOTGVXAUSA-N 2 0 341.540 2.264 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480674612 1106860964 /nfs/dbraw/zinc/86/09/64/1106860964.db2.gz TWBVOXRREYWJDQ-OALUTQOASA-N 2 0 329.488 2.009 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001480700689 1106912584 /nfs/dbraw/zinc/91/25/84/1106912584.db2.gz HACKDLSNZPTICO-IRXDYDNUSA-N 2 0 333.476 2.034 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC001480701993 1106915609 /nfs/dbraw/zinc/91/56/09/1106915609.db2.gz ONQFGNBFAAEAFK-DLBZAZTESA-N 2 0 349.523 2.107 10 0 EEAERP CCCCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001480725860 1106980539 /nfs/dbraw/zinc/98/05/39/1106980539.db2.gz YDTDLFGAYAJLQQ-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C(C)C)n1)[NH+]1CCCC1 ZINC001498198404 1107066263 /nfs/dbraw/zinc/06/62/63/1107066263.db2.gz KVBLRDGUQOHQNM-WMZOPIPTSA-N 2 0 349.523 2.179 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1scnc1C ZINC001480768225 1107077233 /nfs/dbraw/zinc/07/72/33/1107077233.db2.gz FZZHDNIVVNYEEK-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccnc1 ZINC001480777358 1107099578 /nfs/dbraw/zinc/09/95/78/1107099578.db2.gz VKEORGDYZIDQDW-FUHWJXTLSA-N 2 0 332.492 2.186 10 0 EEAERP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323454 1107291212 /nfs/dbraw/zinc/29/12/12/1107291212.db2.gz CISGDBGUKFXEFP-HUUCEWRRSA-N 2 0 327.513 2.111 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c1C ZINC001498380777 1107423629 /nfs/dbraw/zinc/42/36/29/1107423629.db2.gz KEQCHQPDZLBSDS-CVEARBPZSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C[NH+]1CCCC1 ZINC001498449204 1107552287 /nfs/dbraw/zinc/55/22/87/1107552287.db2.gz CSCGYJAJWCVLPB-MRXNPFEDSA-N 2 0 329.488 2.208 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493269122 1107817110 /nfs/dbraw/zinc/81/71/10/1107817110.db2.gz XHZGWIUXBSSGRC-WMZOPIPTSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ncccc2C)C1 ZINC001493667877 1108480316 /nfs/dbraw/zinc/48/03/16/1108480316.db2.gz YGZMGURIDLWUJM-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493762073 1108636595 /nfs/dbraw/zinc/63/65/95/1108636595.db2.gz PRJHTRGBGAUKAP-ZWKOTPCHSA-N 2 0 347.503 2.234 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)CC[NH+]2CCCCC2)c1C ZINC001493806401 1108686905 /nfs/dbraw/zinc/68/69/05/1108686905.db2.gz ITJBOANCIMRJMZ-UHFFFAOYSA-N 2 0 347.503 2.428 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@@H]1CCCOC1 ZINC001493864319 1108755705 /nfs/dbraw/zinc/75/57/05/1108755705.db2.gz KQPPNPTYPBWLTE-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001472471145 1110557545 /nfs/dbraw/zinc/55/75/45/1110557545.db2.gz BITYWNCRCCECCM-DLBZAZTESA-N 2 0 330.476 2.289 10 0 EEAERP CN(CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001473876204 1110583399 /nfs/dbraw/zinc/58/33/99/1110583399.db2.gz JTMRVFASJKYMBJ-UHFFFAOYSA-N 2 0 331.504 2.436 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCc3ccccc3F)C2)C1 ZINC001479338552 1110683071 /nfs/dbraw/zinc/68/30/71/1110683071.db2.gz XUAHCKKIRBRBPO-XYJFISCASA-N 2 0 347.478 2.194 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001499228145 1112188660 /nfs/dbraw/zinc/18/86/60/1112188660.db2.gz DMJRDWCFYRRKOE-SFHVURJKSA-N 2 0 345.462 2.214 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001501048224 1113179595 /nfs/dbraw/zinc/17/95/95/1113179595.db2.gz ZGJYHISJQJZCSV-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001501242661 1113258870 /nfs/dbraw/zinc/25/88/70/1113258870.db2.gz LRWQKTSYGHLXAN-CALCHBBNSA-N 2 0 333.451 2.056 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001501741782 1113458086 /nfs/dbraw/zinc/45/80/86/1113458086.db2.gz DGIMMPYJXUJJBW-OAHLLOKOSA-N 2 0 325.472 2.001 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001502147253 1113616044 /nfs/dbraw/zinc/61/60/44/1113616044.db2.gz FNNHXSGFKWSRMQ-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001502797804 1113803092 /nfs/dbraw/zinc/80/30/92/1113803092.db2.gz SUVLJSZUIFHWCT-UHFFFAOYSA-N 2 0 341.540 2.362 10 0 EEAERP Cc1ccc(C[NH2+]CC2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)c(C)n1 ZINC001505502190 1114026291 /nfs/dbraw/zinc/02/62/91/1114026291.db2.gz ZTQNQQMYMYDZRN-UHFFFAOYSA-N 2 0 344.503 2.167 10 0 EEAERP CC(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001506860783 1114927193 /nfs/dbraw/zinc/92/71/93/1114927193.db2.gz YQADZHGMFHPZCS-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]C/C=C\Cl ZINC001506989003 1115034884 /nfs/dbraw/zinc/03/48/84/1115034884.db2.gz ZXUIDOKRDZFTCK-HMZQOCAUSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001507150535 1115135063 /nfs/dbraw/zinc/13/50/63/1115135063.db2.gz YLSIUOOCUKHDLU-CHWSQXEVSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)CC[NH+](C)C ZINC001507321503 1115191130 /nfs/dbraw/zinc/19/11/30/1115191130.db2.gz PPXNRKXBBYFRFS-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2C)C(C)(C)C1 ZINC001507449448 1115275734 /nfs/dbraw/zinc/27/57/34/1115275734.db2.gz FDHMSAILTCTEHZ-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCc1ccns1)C(C)(C)C)[NH+](C)C ZINC001507963486 1115381064 /nfs/dbraw/zinc/38/10/64/1115381064.db2.gz LOWZDSMNBQFQJB-CABCVRRESA-N 2 0 340.537 2.146 10 0 EEAERP CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001508089655 1115417513 /nfs/dbraw/zinc/41/75/13/1115417513.db2.gz YDNNEDUGBTZVLR-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001508154678 1115428828 /nfs/dbraw/zinc/42/88/28/1115428828.db2.gz HKBMVZYUMNQWBV-UHFFFAOYSA-N 2 0 332.492 2.118 10 0 EEAERP C[N@H+](CC(=O)NCC1=CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC001508206690 1115444097 /nfs/dbraw/zinc/44/40/97/1115444097.db2.gz OKRJVPRZEAKFRC-UHFFFAOYSA-N 2 0 333.398 2.171 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCCF ZINC001567958833 1124205348 /nfs/dbraw/zinc/20/53/48/1124205348.db2.gz VDXPFOQPGMBXQX-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568630801 1124645951 /nfs/dbraw/zinc/64/59/51/1124645951.db2.gz KMENWUSGWVNKBD-DZGCQCFKSA-N 2 0 338.521 2.309 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncccc1C ZINC001568639618 1124653193 /nfs/dbraw/zinc/65/31/93/1124653193.db2.gz VJZCRMJPHJZTTL-FUHWJXTLSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)oc1C ZINC001568645345 1124657372 /nfs/dbraw/zinc/65/73/72/1124657372.db2.gz GGBUNKPNYULARW-CQSZACIVSA-N 2 0 348.491 2.152 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001568927830 1124957863 /nfs/dbraw/zinc/95/78/63/1124957863.db2.gz CQIJOKCJAONTOG-WSNITJDQSA-N 2 0 335.414 2.464 10 0 EEAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001569118928 1125110020 /nfs/dbraw/zinc/11/00/20/1125110020.db2.gz XKAWMHCSOYSLGF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC001569329946 1125233340 /nfs/dbraw/zinc/23/33/40/1125233340.db2.gz XFLDYLUWEFSFJF-UONOGXRCSA-N 2 0 348.318 2.151 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363247223 282116339 /nfs/dbraw/zinc/11/63/39/282116339.db2.gz KNXAACOLGMLHCF-RTBURBONSA-N 2 0 344.503 2.039 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416165234 529965120 /nfs/dbraw/zinc/96/51/20/529965120.db2.gz DXTXSQYTJQMRTD-KRWDZBQOSA-N 2 0 329.488 2.235 10 0 EEAERP CN(c1ccccc1C[NH2+]Cc1ccnn1C)C1CC[NH+](C)CC1 ZINC000132950024 530037254 /nfs/dbraw/zinc/03/72/54/530037254.db2.gz AKIJUGVDNFXBTQ-UHFFFAOYSA-N 2 0 327.476 2.240 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842564 240257941 /nfs/dbraw/zinc/25/79/41/240257941.db2.gz FXXKBPFDSLDXMD-SFHVURJKSA-N 2 0 342.443 2.177 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CCO)c1ccccc1Br ZINC000423031911 240337277 /nfs/dbraw/zinc/33/72/77/240337277.db2.gz LQAFUXJTSBYCOL-SWLSCSKDSA-N 2 0 345.281 2.216 10 0 EEAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1([NH3+])CCCCCC1 ZINC000438880040 242056113 /nfs/dbraw/zinc/05/61/13/242056113.db2.gz YEVXWGFXAJJHDC-INIZCTEOSA-N 2 0 328.460 2.206 10 0 EEAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268829469 252278285 /nfs/dbraw/zinc/27/82/85/252278285.db2.gz QIXOVZWRJSQUHU-UYAOXDASSA-N 2 0 333.520 2.455 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000067708895 292160658 /nfs/dbraw/zinc/16/06/58/292160658.db2.gz GVJGXRJZHBDOLG-HOTGVXAUSA-N 2 0 336.480 2.446 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000119067449 292240836 /nfs/dbraw/zinc/24/08/36/292240836.db2.gz PEXIUJZPJQHJEB-CPFNUKBASA-N 2 0 338.540 2.479 10 0 EEAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000263231618 152405926 /nfs/dbraw/zinc/40/59/26/152405926.db2.gz NNFYAAKCKISYKO-CQSZACIVSA-N 2 0 341.415 2.121 10 0 EEAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000355355192 289406349 /nfs/dbraw/zinc/40/63/49/289406349.db2.gz TWYWONXIHWVLSH-FAEJEUNOSA-N 2 0 336.524 2.375 10 0 EEAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000107371011 159330977 /nfs/dbraw/zinc/33/09/77/159330977.db2.gz IXCBCVDSJDAFSC-MSOLQXFVSA-N 2 0 337.895 2.085 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCCn2cccn2)CC1 ZINC000109755391 159351960 /nfs/dbraw/zinc/35/19/60/159351960.db2.gz AMCSXUGOXVYCQD-IBGZPJMESA-N 2 0 333.524 2.155 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000246834789 160296500 /nfs/dbraw/zinc/29/65/00/160296500.db2.gz DXHSCWZUVLJBGJ-QFBILLFUSA-N 2 0 344.503 2.073 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147767 160339041 /nfs/dbraw/zinc/33/90/41/160339041.db2.gz QJQURQPHKQIQPF-NVXWUHKLSA-N 2 0 335.879 2.372 10 0 EEAERP O=C(C[NH2+][C@H](c1ccccc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000343565861 161147127 /nfs/dbraw/zinc/14/71/27/161147127.db2.gz RKPCTZVMZVYXAA-HXUWFJFHSA-N 2 0 327.472 2.470 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343622233 161152159 /nfs/dbraw/zinc/15/21/59/161152159.db2.gz NJXNHCWMHHOJTF-NRFANRHFSA-N 2 0 341.499 2.444 10 0 EEAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CN(C)C[C@@H]3C)CC2)cc1 ZINC000343893911 161178365 /nfs/dbraw/zinc/17/83/65/161178365.db2.gz JOTYQHHQAGKPSJ-OXJNMPFZSA-N 2 0 331.504 2.447 10 0 EEAERP COc1cc(Br)ccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000358968878 164025924 /nfs/dbraw/zinc/02/59/24/164025924.db2.gz AEOWLLYYFYUICA-UHFFFAOYSA-N 2 0 343.265 2.004 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1F ZINC000174988283 276810841 /nfs/dbraw/zinc/81/08/41/276810841.db2.gz VTEPLCJPHAWCIE-KRWDZBQOSA-N 2 0 346.450 2.043 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000246049570 289101104 /nfs/dbraw/zinc/10/11/04/289101104.db2.gz XXVNDPYIUVKHCG-JYSRZZCRSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000297652866 294307246 /nfs/dbraw/zinc/30/72/46/294307246.db2.gz NKFQIFYKYFKPHL-NQIIRXRSSA-N 2 0 343.515 2.446 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000333223631 312114742 /nfs/dbraw/zinc/11/47/42/312114742.db2.gz AMKWWPSRCHKRGP-MJEQTWJJSA-N 2 0 343.462 2.437 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227733 312270466 /nfs/dbraw/zinc/27/04/66/312270466.db2.gz GTYSTMLIKDRLNZ-FXAWDEMLSA-N 2 0 331.504 2.339 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000416838836 313330576 /nfs/dbraw/zinc/33/05/76/313330576.db2.gz JGSYEJFPUWKDNT-RYQLBKOJSA-N 2 0 332.492 2.367 10 0 EEAERP CC(C)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCC(C)CC1 ZINC000417002294 313389750 /nfs/dbraw/zinc/38/97/50/313389750.db2.gz GBQNDTIFXSBOEV-GJZGRUSLSA-N 2 0 346.466 2.039 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000417010100 313393174 /nfs/dbraw/zinc/39/31/74/313393174.db2.gz OPCIXKPUKJNRJS-NEWSRXKRSA-N 2 0 346.519 2.237 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000417173066 313440309 /nfs/dbraw/zinc/44/03/09/313440309.db2.gz KZVMNEYFEGPCQM-HKUYNNGSSA-N 2 0 348.466 2.214 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000418159454 313729279 /nfs/dbraw/zinc/72/92/79/313729279.db2.gz AFSWHFKOWFSEHX-ONIAQPFYSA-N 2 0 332.492 2.283 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000418449851 313817075 /nfs/dbraw/zinc/81/70/75/313817075.db2.gz KXNBPOTXTHEUCE-QZTJIDSGSA-N 2 0 326.444 2.466 10 0 EEAERP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1C ZINC000425383991 314383018 /nfs/dbraw/zinc/38/30/18/314383018.db2.gz PYXXXZDJDJYOGU-OAHLLOKOSA-N 2 0 342.491 2.399 10 0 EEAERP C[C@H]1CCC[C@@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000525437325 317058870 /nfs/dbraw/zinc/05/88/70/317058870.db2.gz JSEHSALTIFDOCR-IRXDYDNUSA-N 2 0 326.529 2.338 10 0 EEAERP O[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@H]1CCCO1 ZINC000527753615 317256221 /nfs/dbraw/zinc/25/62/21/317256221.db2.gz BJZRMEYNEPOEEV-IPMKNSEASA-N 2 0 330.472 2.313 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562809842 318933950 /nfs/dbraw/zinc/93/39/50/318933950.db2.gz PQDHGRYDAMVPCH-NRFANRHFSA-N 2 0 341.499 2.444 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563559404 319023417 /nfs/dbraw/zinc/02/34/17/319023417.db2.gz CXEDVXRGPCXYGQ-IBGZPJMESA-N 2 0 330.476 2.033 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCC[NH2+]1 ZINC000573912495 319977993 /nfs/dbraw/zinc/97/79/93/319977993.db2.gz YDRSZCDRWSZXFC-UHOFOFEASA-N 2 0 329.423 2.129 10 0 EEAERP C[N@H+](C[C@H](O)CNCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000575376945 320103863 /nfs/dbraw/zinc/10/38/63/320103863.db2.gz AHWANMJYLNCQQA-HXUWFJFHSA-N 2 0 331.504 2.217 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N(C)CCC[NH+](C)C)c2)CC1 ZINC000184917442 323429801 /nfs/dbraw/zinc/42/98/01/323429801.db2.gz NDQUTNPXTXJGGU-UHFFFAOYSA-N 2 0 347.507 2.244 10 0 EEAERP CC(C)C[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000578984119 323750887 /nfs/dbraw/zinc/75/08/87/323750887.db2.gz DDYOCDVQZKOHGL-IBGZPJMESA-N 2 0 344.503 2.375 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000580539096 324083099 /nfs/dbraw/zinc/08/30/99/324083099.db2.gz IBDTWNNDHCOMJG-QFBILLFUSA-N 2 0 344.503 2.257 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000581455955 324256429 /nfs/dbraw/zinc/25/64/29/324256429.db2.gz IXLYDMWJVCKZAR-UHFFFAOYSA-N 2 0 333.505 2.130 10 0 EEAERP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582064927 324371808 /nfs/dbraw/zinc/37/18/08/324371808.db2.gz VACFGDDARPVHIF-RTBURBONSA-N 2 0 327.472 2.346 10 0 EEAERP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000582236999 324409749 /nfs/dbraw/zinc/40/97/49/324409749.db2.gz XVKOPQCTGXYIQG-FYZZASKESA-N 2 0 345.531 2.157 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337319355 465304114 /nfs/dbraw/zinc/30/41/14/465304114.db2.gz ADWFCTYFTOWKGR-UHFFFAOYSA-N 3 0 338.584 2.456 10 0 EEAERP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000074102402 462554894 /nfs/dbraw/zinc/55/48/94/462554894.db2.gz DEDBXSBDLQBJMU-HQSKLWIPSA-N 2 0 336.524 2.421 10 0 EEAERP NC(=[NH2+])c1ccc2[nH]c(C=Cc3nc4cc(C(N)=[NH2+])ccc4[nH]3)nc2c1 ZINC000005425414 462659182 /nfs/dbraw/zinc/65/91/82/462659182.db2.gz DFFCDIMSXJYMTB-AATRIKPKSA-N 2 0 344.382 2.178 10 0 EEAERP C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174542 463092382 /nfs/dbraw/zinc/09/23/82/463092382.db2.gz KSLCFFWIKDXHEO-WMZOPIPTSA-N 2 0 332.492 2.320 10 0 EEAERP COc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+][C@@H]2CCSC2)cc1 ZINC000095967581 463118643 /nfs/dbraw/zinc/11/86/43/463118643.db2.gz RGDBTGIOCDKHRJ-AEFFLSMTSA-N 2 0 335.517 2.079 10 0 EEAERP C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103298096 463400033 /nfs/dbraw/zinc/40/00/33/463400033.db2.gz HTJNRKFICABHGL-KRWDZBQOSA-N 2 0 336.524 2.378 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000590859799 468358673 /nfs/dbraw/zinc/35/86/73/468358673.db2.gz RDZYENVAAIUGET-MSOLQXFVSA-N 2 0 336.524 2.378 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CCCCC1 ZINC000105126378 463439773 /nfs/dbraw/zinc/43/97/73/463439773.db2.gz XDQPBHZBHAWENF-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057203920 463464649 /nfs/dbraw/zinc/46/46/49/463464649.db2.gz UCYCUCFJHKSCDA-HKUYNNGSSA-N 2 0 346.519 2.333 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCN2C)CC1 ZINC000151719080 463580014 /nfs/dbraw/zinc/58/00/14/463580014.db2.gz UGLYMOPMWDNGHP-LJQANCHMSA-N 2 0 330.520 2.402 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000073477777 463615240 /nfs/dbraw/zinc/61/52/40/463615240.db2.gz FIEVNMVTKDQABS-MRXNPFEDSA-N 2 0 330.476 2.064 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073611416 463631530 /nfs/dbraw/zinc/63/15/30/463631530.db2.gz ZACLJHTVJRVCSY-UHFFFAOYSA-N 2 0 332.492 2.455 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073639429 463638226 /nfs/dbraw/zinc/63/82/26/463638226.db2.gz CAFQGVCHRSWIPA-MRXNPFEDSA-N 2 0 332.492 2.453 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000111882802 463686208 /nfs/dbraw/zinc/68/62/08/463686208.db2.gz NZRVYNAPIHSBGD-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261875848 463884892 /nfs/dbraw/zinc/88/48/92/463884892.db2.gz DRJAIHLIQLDXJP-OTWHNJEPSA-N 2 0 348.487 2.267 10 0 EEAERP CC1CC[NH+](Cc2cccc(CNC(=O)C3([NH3+])CCOCC3)c2)CC1 ZINC000261950016 463908162 /nfs/dbraw/zinc/90/81/62/463908162.db2.gz YWZWASLXRUKLDH-UHFFFAOYSA-N 2 0 345.487 2.043 10 0 EEAERP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000262011543 463924011 /nfs/dbraw/zinc/92/40/11/463924011.db2.gz VOISNGCDVIYDNX-UTRMSSBJSA-N 2 0 334.460 2.209 10 0 EEAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCC[C@H](C)C3)C2)[nH+]1 ZINC000195516188 464063455 /nfs/dbraw/zinc/06/34/55/464063455.db2.gz QLPCLEYNLUZXPB-DOTOQJQBSA-N 2 0 330.476 2.382 10 0 EEAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000179190620 464078110 /nfs/dbraw/zinc/07/81/10/464078110.db2.gz ONLGBWCVEWADPN-NZSAHSFTSA-N 2 0 344.503 2.463 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000284450939 464196650 /nfs/dbraw/zinc/19/66/50/464196650.db2.gz SNPBIDMLJCUCPN-NSISKUIASA-N 2 0 331.504 2.414 10 0 EEAERP C[C@H]1C[NH+](CC2CCN(C(=O)CCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000237663057 464361291 /nfs/dbraw/zinc/36/12/91/464361291.db2.gz VNITWLYNNGQVPI-IRXDYDNUSA-N 2 0 339.524 2.243 10 0 EEAERP CN1CCN([C@H]2CCCC[N@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000174886345 464462137 /nfs/dbraw/zinc/46/21/37/464462137.db2.gz DENOPEFLCAOQDP-IBGZPJMESA-N 2 0 344.503 2.117 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000281500150 464480019 /nfs/dbraw/zinc/48/00/19/464480019.db2.gz GREGZFNQWNTIBH-SFHVURJKSA-N 2 0 335.467 2.437 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246579887 464602377 /nfs/dbraw/zinc/60/23/77/464602377.db2.gz YCCWZQLGILMMSU-NEWSRXKRSA-N 2 0 344.503 2.433 10 0 EEAERP O[C@H](COCc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000175759674 464618549 /nfs/dbraw/zinc/61/85/49/464618549.db2.gz XJNAPVRMUGJUDA-FQEVSTJZSA-N 2 0 332.488 2.372 10 0 EEAERP CC(C)c1nnc(CN2CCC(CCC[NH+]3CCOCC3)CC2)n1C ZINC000182956465 464765179 /nfs/dbraw/zinc/76/51/79/464765179.db2.gz WLESZAIWXSHTTL-UHFFFAOYSA-N 2 0 349.523 2.263 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000248612784 464772140 /nfs/dbraw/zinc/77/21/40/464772140.db2.gz YANDSRQTWCBBNR-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP COC(=O)[C@@H](CC(C)C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000351732034 465323779 /nfs/dbraw/zinc/32/37/79/465323779.db2.gz YYHHBIJFVDVZKR-GOSISDBHSA-N 2 0 340.508 2.399 10 0 EEAERP COC(=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000597080876 468436985 /nfs/dbraw/zinc/43/69/85/468436985.db2.gz VJBRBBHWVOQSNN-UHFFFAOYSA-N 2 0 328.416 2.480 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000353209955 465717638 /nfs/dbraw/zinc/71/76/38/465717638.db2.gz VJZYTISXEDGFAK-MJGOQNOKSA-N 2 0 331.504 2.469 10 0 EEAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353430941 465876762 /nfs/dbraw/zinc/87/67/62/465876762.db2.gz XJGCEBYTMREBQA-SFHVURJKSA-N 2 0 343.475 2.321 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362687876 465940754 /nfs/dbraw/zinc/94/07/54/465940754.db2.gz XLDRRDVRWDWBOY-IAGOWNOFSA-N 2 0 341.540 2.048 10 0 EEAERP C[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353521812 465950478 /nfs/dbraw/zinc/95/04/78/465950478.db2.gz SQGCPYSIVJKRPE-XSDIEEQYSA-N 2 0 343.515 2.086 10 0 EEAERP Cc1ccc2[nH+]ccc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2c1 ZINC000302204388 466120632 /nfs/dbraw/zinc/12/06/32/466120632.db2.gz CMLBVASSGLZPQX-LJQANCHMSA-N 2 0 338.455 2.286 10 0 EEAERP CCOC(=O)c1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)n1 ZINC000600165521 468481378 /nfs/dbraw/zinc/48/13/78/468481378.db2.gz RQYCLFVUVYXODE-UHFFFAOYSA-N 2 0 337.489 2.175 10 0 EEAERP CN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353954492 466279446 /nfs/dbraw/zinc/27/94/46/466279446.db2.gz BXRFNDBPUHCKSW-LJQANCHMSA-N 2 0 344.503 2.388 10 0 EEAERP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367620575 466453032 /nfs/dbraw/zinc/45/30/32/466453032.db2.gz DAHJXPPZSGAQAO-OTWHNJEPSA-N 2 0 345.487 2.116 10 0 EEAERP C[C@@]1(C[NH2+]C2CCN(C(N)=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088100 466507860 /nfs/dbraw/zinc/50/78/60/466507860.db2.gz PFAANLIRPXSCOQ-IBGZPJMESA-N 2 0 330.476 2.031 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000358189572 466525468 /nfs/dbraw/zinc/52/54/68/466525468.db2.gz AHFZZPMBRZVPMV-UHFFFAOYSA-N 2 0 330.476 2.199 10 0 EEAERP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CC2 ZINC000423495550 466758335 /nfs/dbraw/zinc/75/83/35/466758335.db2.gz URMSTWDGGWGHBV-KGLIPLIRSA-N 2 0 339.277 2.275 10 0 EEAERP O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662252137 472043253 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LRVZZCPFZOKRLH-UIBIWLFHSA-N 2 0 332.492 2.352 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000417406871 466852353 /nfs/dbraw/zinc/85/23/53/466852353.db2.gz RWERTYYBQFFUHJ-ZWKOTPCHSA-N 2 0 330.476 2.032 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417583372 466886720 /nfs/dbraw/zinc/88/67/20/466886720.db2.gz KDFHWMUZXVCZOI-KGLIPLIRSA-N 2 0 346.466 2.183 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417579817 466887142 /nfs/dbraw/zinc/88/71/42/466887142.db2.gz BQAOJEVXBCQAPE-IZVVFDKHSA-N 2 0 330.476 2.217 10 0 EEAERP C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000417849608 466954906 /nfs/dbraw/zinc/95/49/06/466954906.db2.gz CWHVIAHEEVSYJE-INIZCTEOSA-N 2 0 334.508 2.176 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000370680893 466963661 /nfs/dbraw/zinc/96/36/61/466963661.db2.gz MALSCKTXTXSAQU-OAHLLOKOSA-N 2 0 333.480 2.222 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418138566 467056656 /nfs/dbraw/zinc/05/66/56/467056656.db2.gz GMACNJGNTVCFEW-MSOLQXFVSA-N 2 0 334.508 2.319 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000418189631 467070292 /nfs/dbraw/zinc/07/02/92/467070292.db2.gz IANWUEHAUJAGSX-YSHGAJCASA-N 2 0 342.487 2.185 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000418469437 467115157 /nfs/dbraw/zinc/11/51/57/467115157.db2.gz UJAHEVFEAKTZJB-HNNXBMFYSA-N 2 0 330.476 2.476 10 0 EEAERP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCNC(=O)CC4)CC3)c2c1 ZINC000450892633 467199016 /nfs/dbraw/zinc/19/90/16/467199016.db2.gz PFQAJVLZTLJCAV-MRXNPFEDSA-N 2 0 338.455 2.334 10 0 EEAERP CC1(C)C[N@H+](CCC(N)=O)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453006614 467455343 /nfs/dbraw/zinc/45/53/43/467455343.db2.gz CJMRVHXAVLHRHQ-IBGZPJMESA-N 2 0 329.488 2.484 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000453219300 467468948 /nfs/dbraw/zinc/46/89/48/467468948.db2.gz LXNYACKRZPDBNZ-GOSISDBHSA-N 3 0 333.520 2.250 10 0 EEAERP CCN1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000453369769 467483281 /nfs/dbraw/zinc/48/32/81/467483281.db2.gz STDMCNPWWYEISY-MKXGPGLRSA-N 2 0 327.472 2.392 10 0 EEAERP CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000436379488 467533337 /nfs/dbraw/zinc/53/33/37/467533337.db2.gz QKOYHKGJWMYQJM-MJGOQNOKSA-N 2 0 344.459 2.231 10 0 EEAERP C[C@@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000449125417 467619832 /nfs/dbraw/zinc/61/98/32/467619832.db2.gz SIICVBGSORIAFD-KRWDZBQOSA-N 2 0 343.475 2.193 10 0 EEAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)NC1CC([NH+]2CCCCC2)C1 ZINC000528710568 467733889 /nfs/dbraw/zinc/73/38/89/467733889.db2.gz SPHFNUGPKQEQNL-UHFFFAOYSA-N 2 0 344.459 2.307 10 0 EEAERP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241884 467966930 /nfs/dbraw/zinc/96/69/30/467966930.db2.gz RMBWJDYNNIKCEW-WMZOPIPTSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CC1(C)C ZINC000487547908 468044020 /nfs/dbraw/zinc/04/40/20/468044020.db2.gz ATQQJUHCSGTHLA-JQHSSLGASA-N 2 0 331.504 2.300 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000516876088 468052420 /nfs/dbraw/zinc/05/24/20/468052420.db2.gz MPRXIVAUECRNGN-OIISXLGYSA-N 2 0 339.549 2.145 10 0 EEAERP CCC(CC)[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000519193609 468148400 /nfs/dbraw/zinc/14/84/00/468148400.db2.gz NJHBLDDFJDOGCT-SFHVURJKSA-N 2 0 339.524 2.112 10 0 EEAERP [NH3+]C1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000519633048 468186099 /nfs/dbraw/zinc/18/60/99/468186099.db2.gz SFIXMLUPJNSEHL-UHFFFAOYSA-N 2 0 330.476 2.305 10 0 EEAERP C[N@H+](CCC[NH3+])CCCOc1cccc(I)c1 ZINC000592427571 468695391 /nfs/dbraw/zinc/69/53/91/468695391.db2.gz CJSLCZLAXHCVCL-UHFFFAOYSA-N 2 0 348.228 2.341 10 0 EEAERP C[C@@H](CSCCF)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000595018017 468744176 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2.334 10 0 EEAERP CCOC(=O)C[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000599310625 469204147 /nfs/dbraw/zinc/20/41/47/469204147.db2.gz XQCMNRWEGVICMQ-WMZOPIPTSA-N 2 0 340.508 2.277 10 0 EEAERP COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000615652816 469293156 /nfs/dbraw/zinc/29/31/56/469293156.db2.gz YHSZLGCEVRVRFK-WDSOQIARSA-N 2 0 346.471 2.401 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000618547105 469383726 /nfs/dbraw/zinc/38/37/26/469383726.db2.gz BTLCZIBBTGSJDB-MSOLQXFVSA-N 2 0 332.492 2.245 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000618554609 469386590 /nfs/dbraw/zinc/38/65/90/469386590.db2.gz QSCPACQAVHGHHC-ZWKOTPCHSA-N 2 0 330.476 2.217 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)c2)CC1 ZINC000625879030 469422107 /nfs/dbraw/zinc/42/21/07/469422107.db2.gz DNRUDFMNOKSVPX-DOTOQJQBSA-N 2 0 345.491 2.091 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616696594 469480200 /nfs/dbraw/zinc/48/02/00/469480200.db2.gz CYNIPPWKQITNRJ-NZSAHSFTSA-N 2 0 329.488 2.322 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1Br ZINC000629535291 469574580 /nfs/dbraw/zinc/57/45/80/469574580.db2.gz DFFQQQOCYBRYDB-LLVKDONJSA-N 2 0 331.254 2.474 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340470 469629379 /nfs/dbraw/zinc/62/93/79/469629379.db2.gz JGLMWIPTSARQTG-RTBURBONSA-N 2 0 331.504 2.350 10 0 EEAERP CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617556592 469726664 /nfs/dbraw/zinc/72/66/64/469726664.db2.gz TUYPEEWHFOUVNR-LJQANCHMSA-N 2 0 329.488 2.451 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000626925828 469757396 /nfs/dbraw/zinc/75/73/96/469757396.db2.gz SAMGALWIOXLWOV-MAUKXSAKSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000626993776 469781347 /nfs/dbraw/zinc/78/13/47/469781347.db2.gz 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O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCc2nc[nH]c2C1 ZINC000614376726 469924271 /nfs/dbraw/zinc/92/42/71/469924271.db2.gz KEBIWAMEQYSNQY-GDBMZVCRSA-N 2 0 330.476 2.428 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1ccnn1CC1CCC1)N1CC[NH+](C)CC1 ZINC000631038971 470053409 /nfs/dbraw/zinc/05/34/09/470053409.db2.gz PXBGMFDOUNBLTG-LJQANCHMSA-N 2 0 333.524 2.045 10 0 EEAERP CN(C(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000625486871 470153503 /nfs/dbraw/zinc/15/35/03/470153503.db2.gz JRBWDKOWIACQEP-CEXWTWQISA-N 2 0 327.472 2.027 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701359 470281532 /nfs/dbraw/zinc/28/15/32/470281532.db2.gz OOFYURASHREVLK-NRSPTQNISA-N 2 0 346.515 2.400 10 0 EEAERP CCCN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646291533 470592751 /nfs/dbraw/zinc/59/27/51/470592751.db2.gz PLVOFCVVIQPFII-MRXNPFEDSA-N 2 0 328.420 2.215 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)CC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296528 470594599 /nfs/dbraw/zinc/59/45/99/470594599.db2.gz SPADAQYYROIWQT-SJLPKXTDSA-N 2 0 331.460 2.217 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000639750533 470648838 /nfs/dbraw/zinc/64/88/38/470648838.db2.gz WEICRYQLYDFCQJ-OALUTQOASA-N 2 0 333.520 2.141 10 0 EEAERP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647549421 470928665 /nfs/dbraw/zinc/92/86/65/470928665.db2.gz YOFDKPDWMGKNGC-XUVXKRRUSA-N 2 0 337.467 2.374 10 0 EEAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000650718548 470949608 /nfs/dbraw/zinc/94/96/08/470949608.db2.gz QWFDDDGDSBJDSW-UHFFFAOYSA-N 2 0 328.412 2.476 10 0 EEAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000650743993 470957392 /nfs/dbraw/zinc/95/73/92/470957392.db2.gz DAEMRCBHIDJJPV-CQSZACIVSA-N 2 0 337.489 2.006 10 0 EEAERP OC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC000657326277 471099231 /nfs/dbraw/zinc/09/92/31/471099231.db2.gz OPLISHNLUWBJBB-MRXNPFEDSA-N 2 0 340.402 2.347 10 0 EEAERP Fc1cccnc1N1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657392151 471124077 /nfs/dbraw/zinc/12/40/77/471124077.db2.gz MSWFTPHXTWIWFO-CQSZACIVSA-N 2 0 338.390 2.170 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000657765211 471231008 /nfs/dbraw/zinc/23/10/08/471231008.db2.gz KGXKFOVORSIQSI-LJQANCHMSA-N 2 0 344.459 2.233 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000652195117 471254460 /nfs/dbraw/zinc/25/44/60/471254460.db2.gz KONXCBWLJIACJL-UHFFFAOYSA-N 2 0 332.492 2.471 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000652291697 471268432 /nfs/dbraw/zinc/26/84/32/471268432.db2.gz DTJPWGABJQFCGZ-GOSISDBHSA-N 2 0 330.476 2.080 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)[C@@H]2CCC[C@H]21 ZINC000658138550 471270282 /nfs/dbraw/zinc/27/02/82/471270282.db2.gz NYVBTYQVTNOSCK-XSDIEEQYSA-N 3 0 343.515 2.216 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659020210 471470624 /nfs/dbraw/zinc/47/06/24/471470624.db2.gz YAULOZNAUIJWIX-QGZVFWFLSA-N 2 0 348.491 2.371 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000653109767 471492949 /nfs/dbraw/zinc/49/29/49/471492949.db2.gz LVUBQSCSHQRFRD-VAMGGRTRSA-N 2 0 341.499 2.470 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653155410 471511377 /nfs/dbraw/zinc/51/13/77/471511377.db2.gz SBHVJJCXPRILKM-BPLDGKMQSA-N 2 0 343.393 2.021 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770172 471530960 /nfs/dbraw/zinc/53/09/60/471530960.db2.gz OBQCEIHNLNRUKL-IBGZPJMESA-N 2 0 330.520 2.450 10 0 EEAERP C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H](C)[NH3+] ZINC000659383014 471600328 /nfs/dbraw/zinc/60/03/28/471600328.db2.gz SIHYKKDDZVEYDN-SOLBZPMBSA-N 2 0 329.488 2.388 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C(C)(C)C[NH+](C)C 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ZVPNVHRAAOOQGQ-BHIYHBOVSA-N 2 0 344.503 2.385 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000667956325 471962981 /nfs/dbraw/zinc/96/29/81/471962981.db2.gz OBGWOVPCSAUNPL-IBGZPJMESA-N 2 0 329.488 2.425 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000665287216 471989940 /nfs/dbraw/zinc/98/99/40/471989940.db2.gz FKZITXXKJNYFSL-LJQANCHMSA-N 2 0 332.492 2.359 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000665285033 471990105 /nfs/dbraw/zinc/99/01/05/471990105.db2.gz AVOZZUWEUIXOLY-SFHVURJKSA-N 2 0 333.451 2.393 10 0 EEAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCN(c2cnccn2)CC1 ZINC000668084698 472003129 /nfs/dbraw/zinc/00/31/29/472003129.db2.gz SUANKNNKUDFEAW-UHFFFAOYSA-N 2 0 349.442 2.158 10 0 EEAERP O=C([C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1)N1CCCC1 ZINC000662256659 472044854 /nfs/dbraw/zinc/04/48/54/472044854.db2.gz XRDOVWMRHQGMQP-SFHVURJKSA-N 2 0 327.472 2.167 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325801 472073232 /nfs/dbraw/zinc/07/32/32/472073232.db2.gz PXQYZHHGHKURAH-GOSISDBHSA-N 2 0 349.475 2.066 10 0 EEAERP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662337302 472076663 /nfs/dbraw/zinc/07/66/63/472076663.db2.gz LBPZLXDAKOSLHY-NXOAAHMSSA-N 2 0 329.492 2.045 10 0 EEAERP C[C@H]1C[C@@H](CCNC(=O)C[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000662507613 472132858 /nfs/dbraw/zinc/13/28/58/472132858.db2.gz VIZFORTZWJXRKT-QXAKKESOSA-N 2 0 329.488 2.403 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662563922 472155302 /nfs/dbraw/zinc/15/53/02/472155302.db2.gz SRXCBCWUSBNCCG-UHFFFAOYSA-N 2 0 329.469 2.037 10 0 EEAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662584164 472163833 /nfs/dbraw/zinc/16/38/33/472163833.db2.gz ZOWRQFJFCDKNBZ-DODZYUBVSA-N 2 0 329.488 2.496 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000668784420 472266813 /nfs/dbraw/zinc/26/68/13/472266813.db2.gz CIZPVJPWQAQFEP-MRXNPFEDSA-N 3 0 334.489 2.476 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000668860336 472300985 /nfs/dbraw/zinc/30/09/85/472300985.db2.gz XGCDGMICDHNTKJ-CRAIPNDOSA-N 2 0 330.476 2.080 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)[C@@H](C)C1 ZINC000658143168 485571852 /nfs/dbraw/zinc/57/18/52/485571852.db2.gz XHCFXZDXTAOGNR-DBVUQKKJSA-N 3 0 331.504 2.073 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CC(OCc4ccccc4)C3)C2)CC1 ZINC000683815324 485649248 /nfs/dbraw/zinc/64/92/48/485649248.db2.gz BDACSOVOWIUVHF-LWEYNCJUSA-N 2 0 343.515 2.492 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000127956879 490668200 /nfs/dbraw/zinc/66/82/00/490668200.db2.gz IXZJUULEKZXVPL-UHFFFAOYSA-N 2 0 329.488 2.441 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[NH+](C)C ZINC000352359260 517460518 /nfs/dbraw/zinc/46/05/18/517460518.db2.gz FASOGVXAXJPAQL-NRXISQOPSA-N 2 0 349.441 2.494 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@](C)(C[NH3+])C(C)C)CC1 ZINC000414727591 527713205 /nfs/dbraw/zinc/71/32/05/527713205.db2.gz AVSUTIWEDATBKI-IBGZPJMESA-N 2 0 347.507 2.323 10 0 EEAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000462019080 535226914 /nfs/dbraw/zinc/22/69/14/535226914.db2.gz XZYQHUNLJBIJCR-GVDBMIGSSA-N 2 0 326.529 2.479 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(=O)NCC[NH+](C)C ZINC000488434149 535323410 /nfs/dbraw/zinc/32/34/10/535323410.db2.gz OTYMKIMXIYHMGR-JYJNAYRXSA-N 2 0 329.554 2.199 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000422781162 536596879 /nfs/dbraw/zinc/59/68/79/536596879.db2.gz DVPHNSRDAZLECV-GOSISDBHSA-N 2 0 330.476 2.392 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C)OCCCO2)CC1 ZINC000752923440 577778335 /nfs/dbraw/zinc/77/83/35/577778335.db2.gz BQVUSLJBPXPFHV-UHFFFAOYSA-N 2 0 347.503 2.461 10 0 EEAERP Cc1ccccc1[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000755235717 577822272 /nfs/dbraw/zinc/82/22/72/577822272.db2.gz JOHPZRPORBNGPI-FQEVSTJZSA-N 2 0 345.531 2.378 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000741488637 578120234 /nfs/dbraw/zinc/12/02/34/578120234.db2.gz LTVXYAVDKYWDRF-GJZGRUSLSA-N 2 0 328.570 2.111 10 0 EEAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000261598134 676333897 /nfs/dbraw/zinc/33/38/97/676333897.db2.gz AJNFFYUNRDIAEC-PCSNJEICSA-N 2 0 340.471 2.060 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261870967 676472855 /nfs/dbraw/zinc/47/28/55/676472855.db2.gz SJWDUDHNZUIZTE-UHFFFAOYSA-N 2 0 341.499 2.444 10 0 EEAERP C[C@H]1CC2(CC([NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)C2)CO1 ZINC000924569698 681620426 /nfs/dbraw/zinc/62/04/26/681620426.db2.gz IRMCTHDHWKZNRH-PELRDEGISA-N 2 0 343.515 2.351 10 0 EEAERP C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCCCC1 ZINC000914293997 683464702 /nfs/dbraw/zinc/46/47/02/683464702.db2.gz SNWULXFCUMODCW-SJLPKXTDSA-N 2 0 347.507 2.248 10 0 EEAERP CC(C)[C@@H](C[NH2+][C@@H](C)c1cn2c(n1)CCCC2)N1CC[NH+](C)CC1 ZINC000924634704 692974034 /nfs/dbraw/zinc/97/40/34/692974034.db2.gz ZZBQZZXJSIQITK-FUHWJXTLSA-N 2 0 333.524 2.142 10 0 EEAERP CCC/C=C\CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001485555367 1191833623 /nfs/dbraw/zinc/83/36/23/1191833623.db2.gz KCJRCCYJWHHOMC-WYTZPYIFSA-N 2 0 349.519 2.130 10 0 EEAERP CC/C=C/CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641102 1191875927 /nfs/dbraw/zinc/87/59/27/1191875927.db2.gz OPDTZPNKYRJPST-UBZMYNMCSA-N 2 0 349.519 2.177 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(OC)c2C)C1)[NH+](C)C ZINC001485703647 1191898501 /nfs/dbraw/zinc/89/85/01/1191898501.db2.gz YTZVWJMVXPAXTP-SZMVWBNQSA-N 2 0 347.503 2.328 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001485694851 1191902599 /nfs/dbraw/zinc/90/25/99/1191902599.db2.gz WNLSKSIATZXEHU-HAQNSBGRSA-N 2 0 344.912 2.123 10 0 EEAERP COCC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001272701067 1191959755 /nfs/dbraw/zinc/95/97/55/1191959755.db2.gz SPIQUKYRTGBFAA-INIZCTEOSA-N 2 0 347.503 2.474 10 0 EEAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1CC[NH2+]CCCF ZINC001692003741 1177580551 /nfs/dbraw/zinc/58/05/51/1177580551.db2.gz BLOIZOKWWXKLGT-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001691371521 1177976133 /nfs/dbraw/zinc/97/61/33/1177976133.db2.gz BXMLBWNZAAQRDV-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267083982 1178207737 /nfs/dbraw/zinc/20/77/37/1178207737.db2.gz DZSNVPGZLZCMMO-ZWKOTPCHSA-N 2 0 347.503 2.068 10 0 EEAERP CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)CC[NH+]1CCCCC1 ZINC001267116675 1178278398 /nfs/dbraw/zinc/27/83/98/1178278398.db2.gz DVPWVIIKPXQSQS-UHFFFAOYSA-N 2 0 338.883 2.159 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001691441604 1178634646 /nfs/dbraw/zinc/63/46/46/1178634646.db2.gz SGWWGLKFHHEUFH-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccn(C)n1 ZINC001267340568 1178787971 /nfs/dbraw/zinc/78/79/71/1178787971.db2.gz MVFBBKCOQAJRIC-IAGOWNOFSA-N 2 0 349.523 2.010 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001691483845 1179048083 /nfs/dbraw/zinc/04/80/83/1179048083.db2.gz NREFXTXQAVJRBH-KURKYZTESA-N 2 0 335.467 2.128 10 0 EEAERP CN(CC[NH2+]Cc1ccns1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001267473004 1179105419 /nfs/dbraw/zinc/10/54/19/1179105419.db2.gz FAFNBCWSMUWVFN-UHFFFAOYSA-N 2 0 332.473 2.067 10 0 EEAERP COCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267490074 1179162804 /nfs/dbraw/zinc/16/28/04/1179162804.db2.gz FOFJXFGSIWQSSQ-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccn(C)n1 ZINC001267500653 1179191339 /nfs/dbraw/zinc/19/13/39/1179191339.db2.gz BSEXTPAFCFHHGJ-SFHVURJKSA-N 2 0 349.523 2.010 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC001481071052 1179680415 /nfs/dbraw/zinc/68/04/15/1179680415.db2.gz LFUWCCLSQMNQDM-CQSZACIVSA-N 2 0 335.414 2.395 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001481110703 1179761287 /nfs/dbraw/zinc/76/12/87/1179761287.db2.gz AUEVARLCOVXSEP-GDBMZVCRSA-N 2 0 335.517 2.336 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001481114895 1179770246 /nfs/dbraw/zinc/77/02/46/1179770246.db2.gz DONZDGSEAJDCIT-INIZCTEOSA-N 2 0 335.517 2.418 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267778692 1180512557 /nfs/dbraw/zinc/51/25/57/1180512557.db2.gz FVKJYJFCUSCISK-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001267829688 1180596911 /nfs/dbraw/zinc/59/69/11/1180596911.db2.gz ZHWNOEAJNMFKLC-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ocnc2C)C1)[NH+](C)C ZINC001267893110 1180704868 /nfs/dbraw/zinc/70/48/68/1180704868.db2.gz JAUZAOICPGBJMB-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001267899241 1180719395 /nfs/dbraw/zinc/71/93/95/1180719395.db2.gz DUVBXLUPDPTVHK-KBPBESRZSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001267911723 1180751627 /nfs/dbraw/zinc/75/16/27/1180751627.db2.gz ARXDJSGZTRXQRA-QGZVFWFLSA-N 2 0 348.491 2.104 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001481447414 1181369563 /nfs/dbraw/zinc/36/95/63/1181369563.db2.gz QHKQBBOVCITNIT-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001268100796 1181746478 /nfs/dbraw/zinc/74/64/78/1181746478.db2.gz PVSBSJQPFVRLAP-APWZRJJASA-N 2 0 331.504 2.180 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001268114953 1181760017 /nfs/dbraw/zinc/76/00/17/1181760017.db2.gz VLFLAXRCUYTKQH-HOCLYGCPSA-N 2 0 325.522 2.313 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001268161079 1181872990 /nfs/dbraw/zinc/87/29/90/1181872990.db2.gz AFAVLMOGECNOKL-JKSUJKDBSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)on1 ZINC001268161461 1181875524 /nfs/dbraw/zinc/87/55/24/1181875524.db2.gz BNQHOBAROQTHTH-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H]([NH2+]CCOc1ccccc1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001268179123 1181961883 /nfs/dbraw/zinc/96/18/83/1181961883.db2.gz QDUAYALNIIYEHJ-ROUUACIJSA-N 2 0 347.503 2.234 10 0 EEAERP COc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001268351511 1182312313 /nfs/dbraw/zinc/31/23/13/1182312313.db2.gz VHFBUEOLSUNGBD-WBVHZDCISA-N 2 0 333.476 2.082 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481745096 1182498512 /nfs/dbraw/zinc/49/85/12/1182498512.db2.gz RDDFHSQCKWUKJM-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481750741 1182537997 /nfs/dbraw/zinc/53/79/97/1182537997.db2.gz BSAIOQCURHGLEL-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481753200 1182546895 /nfs/dbraw/zinc/54/68/95/1182546895.db2.gz QDHMVEIHOKVBGU-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268412802 1182559700 /nfs/dbraw/zinc/55/97/00/1182559700.db2.gz AUQJKDBVSVTZJU-UKRRQHHQSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ocnc1C ZINC001481883707 1182872002 /nfs/dbraw/zinc/87/20/02/1182872002.db2.gz YCZYRHQLCPRDKP-WBVHZDCISA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001481930231 1182976290 /nfs/dbraw/zinc/97/62/90/1182976290.db2.gz FVZQUZFOBVSTED-OQACOVGMSA-N 2 0 327.900 2.344 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001481985685 1183089063 /nfs/dbraw/zinc/08/90/63/1183089063.db2.gz UHBYDYUYVAZHGD-ULQDDVLXSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001482027694 1183156584 /nfs/dbraw/zinc/15/65/84/1183156584.db2.gz LTUUEWFRNHEOQB-KZNAEPCWSA-N 2 0 339.524 2.040 10 0 EEAERP CC/C=C\CCN1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001482188237 1183586570 /nfs/dbraw/zinc/58/65/70/1183586570.db2.gz GPFIOPRIZGUJML-WIJVFFIESA-N 2 0 337.508 2.034 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191293 1183606237 /nfs/dbraw/zinc/60/62/37/1183606237.db2.gz BWOVZIMFGCKTKW-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268711403 1183631813 /nfs/dbraw/zinc/63/18/13/1183631813.db2.gz IDRKCJDSUJELSG-DLBZAZTESA-N 2 0 331.504 2.228 10 0 EEAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268793417 1183709473 /nfs/dbraw/zinc/70/94/73/1183709473.db2.gz OGWJZQIAVBPEKL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001268869027 1183777198 /nfs/dbraw/zinc/77/71/98/1183777198.db2.gz OZRZLRWZFBSPJE-UHFFFAOYSA-N 2 0 346.519 2.368 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001268914438 1183823043 /nfs/dbraw/zinc/82/30/43/1183823043.db2.gz AYQMPLFEHFAIQZ-UHFFFAOYSA-N 2 0 335.879 2.374 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCC(C)(C)C)CCO1)[NH+](CC)CC ZINC001482201060 1183907713 /nfs/dbraw/zinc/90/77/13/1183907713.db2.gz YMUQCBJKVOVDKF-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP O=C(CCn1ccnc1)N1CC[C@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001269736290 1184568785 /nfs/dbraw/zinc/56/87/85/1184568785.db2.gz JPOALLDZUYKNFH-SFHVURJKSA-N 2 0 336.455 2.337 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001269935184 1184728364 /nfs/dbraw/zinc/72/83/64/1184728364.db2.gz LUWULBJIYCHDKO-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001270263180 1184967891 /nfs/dbraw/zinc/96/78/91/1184967891.db2.gz FTBFGWWYLVXYRX-SJLPKXTDSA-N 2 0 347.478 2.291 10 0 EEAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH2+]C/C=C\Cl ZINC001270517587 1185142552 /nfs/dbraw/zinc/14/25/52/1185142552.db2.gz RFEVPCJQYCEETE-TZDXQJPWSA-N 2 0 333.879 2.293 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001270559913 1185170015 /nfs/dbraw/zinc/17/00/15/1185170015.db2.gz VVWCTUQSBIAKAI-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482318678 1185333540 /nfs/dbraw/zinc/33/35/40/1185333540.db2.gz FTEMKOGNKSFLEV-SJLPKXTDSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001482338110 1185433829 /nfs/dbraw/zinc/43/38/29/1185433829.db2.gz DVBJFWQGOWJSDN-MRXNPFEDSA-N 2 0 346.519 2.367 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482354636 1185492359 /nfs/dbraw/zinc/49/23/59/1185492359.db2.gz SFOBHUQFOYVVNJ-CQSZACIVSA-N 2 0 335.879 2.372 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482354909 1185493352 /nfs/dbraw/zinc/49/33/52/1185493352.db2.gz BAKYFKKFGOBPGW-OAHLLOKOSA-N 2 0 330.476 2.446 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001482356956 1185501657 /nfs/dbraw/zinc/50/16/57/1185501657.db2.gz UNGQVFNWNFJNSN-GFCCVEGCSA-N 2 0 326.510 2.038 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691516884 1185619658 /nfs/dbraw/zinc/61/96/58/1185619658.db2.gz UPFDYRWNSTUYKB-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP CC(C)=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271100744 1185888951 /nfs/dbraw/zinc/88/89/51/1185888951.db2.gz NPDHXXBWGHSJGL-OAHLLOKOSA-N 2 0 343.462 2.368 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCC1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271286740 1186120753 /nfs/dbraw/zinc/12/07/53/1186120753.db2.gz WJXFNGXHGDTDGS-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccn(CC)n1)[NH+](C)C ZINC001271600073 1186332274 /nfs/dbraw/zinc/33/22/74/1186332274.db2.gz NCPISMDOTAURHV-MSOLQXFVSA-N 2 0 349.523 2.104 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001271814366 1186513531 /nfs/dbraw/zinc/51/35/31/1186513531.db2.gz DQTQINWPADHMEM-RBUKOAKNSA-N 2 0 347.503 2.198 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](OC)C1CCC1 ZINC001482651637 1187487376 /nfs/dbraw/zinc/48/73/76/1187487376.db2.gz HKAGCMAQNOMEPT-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001482843523 1187763130 /nfs/dbraw/zinc/76/31/30/1187763130.db2.gz GQCRPPHTGRVCDC-WBMJQRKESA-N 2 0 340.537 2.331 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001482852530 1187772143 /nfs/dbraw/zinc/77/21/43/1187772143.db2.gz WZSOVURAMMHDDN-CYBMUJFWSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)s1 ZINC001482874664 1187794861 /nfs/dbraw/zinc/79/48/61/1187794861.db2.gz KHFYLMWIHADZFI-ZDUSSCGKSA-N 2 0 340.537 2.414 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892395 1187819297 /nfs/dbraw/zinc/81/92/97/1187819297.db2.gz STSYJYSNJAMOEL-CYBMUJFWSA-N 2 0 337.414 2.045 10 0 EEAERP COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001670933524 1193529413 /nfs/dbraw/zinc/52/94/13/1193529413.db2.gz WUTZPJGFFNHYIL-FBVQUNGASA-N 2 0 337.508 2.007 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001483010021 1187993454 /nfs/dbraw/zinc/99/34/54/1187993454.db2.gz YHJDMUPMBMLJTO-LIENPHCYSA-N 2 0 341.499 2.278 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F)[NH+](C)C ZINC001483022907 1188012549 /nfs/dbraw/zinc/01/25/49/1188012549.db2.gz LUULYNKAVWAUKB-FDICQLOXSA-N 2 0 333.451 2.415 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001691619684 1188320271 /nfs/dbraw/zinc/32/02/71/1188320271.db2.gz WLFRASOMDKAJNG-UHFFFAOYSA-N 2 0 338.521 2.184 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001483071867 1188423326 /nfs/dbraw/zinc/42/33/26/1188423326.db2.gz YDQYRFYDXHZFON-IHWYPQMZSA-N 2 0 329.435 2.026 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001483188893 1189061885 /nfs/dbraw/zinc/06/18/85/1189061885.db2.gz AGGGASMYSTYKHP-BEFAXECRSA-N 2 0 333.451 2.236 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001409383904 1189608740 /nfs/dbraw/zinc/60/87/40/1189608740.db2.gz GPVMCVMNVKYDBI-GJZGRUSLSA-N 2 0 333.476 2.020 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409473926 1189779986 /nfs/dbraw/zinc/77/99/86/1189779986.db2.gz OUGIACCVVWVAFI-LSDHHAIUSA-N 2 0 337.512 2.095 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474575 1189791700 /nfs/dbraw/zinc/79/17/00/1189791700.db2.gz PSGWMRPNBHOEDX-UONOGXRCSA-N 2 0 341.446 2.330 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001409621367 1190112037 /nfs/dbraw/zinc/11/20/37/1190112037.db2.gz GSGDVTRDVNPAQF-KGLIPLIRSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccns1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483275164 1190297559 /nfs/dbraw/zinc/29/75/59/1190297559.db2.gz WHZJDYKJOLOXEF-AWEZNQCLSA-N 2 0 346.500 2.155 10 0 EEAERP C[C@H](C[N@H+](C)CCC1CCOCC1)NC(=O)C[C@@H](C)n1ccnc1 ZINC001483392523 1190436527 /nfs/dbraw/zinc/43/65/27/1190436527.db2.gz ZNAAEAYJPQUVKO-HZPDHXFCSA-N 2 0 336.480 2.087 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1cncc(F)c1 ZINC001483421487 1190468574 /nfs/dbraw/zinc/46/85/74/1190468574.db2.gz QLJAGGSIIJZTRU-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1csc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001483487108 1190506906 /nfs/dbraw/zinc/50/69/06/1190506906.db2.gz LCBSEQYYGXSWOH-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cncn1CC(=O)N[C@H](C[NH2+]Cc1cc(C)cc(C)c1)C1CC1 ZINC001483575871 1190565036 /nfs/dbraw/zinc/56/50/36/1190565036.db2.gz VVIBRTVEIVFODP-LJQANCHMSA-N 2 0 340.471 2.493 10 0 EEAERP O=C(N[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001483600740 1190580433 /nfs/dbraw/zinc/58/04/33/1190580433.db2.gz JVUISAYFQHHYON-HIFRSBDPSA-N 2 0 341.446 2.002 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130364 1193689759 /nfs/dbraw/zinc/68/97/59/1193689759.db2.gz RBBZRZSHTHDLMW-DLBZAZTESA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCc3ccccc32)CCC1 ZINC001483655304 1190711980 /nfs/dbraw/zinc/71/19/80/1190711980.db2.gz MTLKHNINDFSIEF-AEFFLSMTSA-N 2 0 327.472 2.349 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)Cn2ccnc2)CC1)c1ccc(F)cc1F ZINC001483796134 1191027412 /nfs/dbraw/zinc/02/74/12/1191027412.db2.gz CGYBFZAAFSYNIH-GFCCVEGCSA-N 2 0 334.370 2.161 10 0 EEAERP COCC[N@H+](CCC(C)C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001483818115 1191046306 /nfs/dbraw/zinc/04/63/06/1191046306.db2.gz IAUAIMKKYXMFCV-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847156 1191082313 /nfs/dbraw/zinc/08/23/13/1191082313.db2.gz FWSIHRNRRQYDRL-MJGOQNOKSA-N 2 0 339.499 2.392 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001483974250 1191137726 /nfs/dbraw/zinc/13/77/26/1191137726.db2.gz WVIITCDZHCNQCC-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2cncs2)C1 ZINC001484122372 1191222136 /nfs/dbraw/zinc/22/21/36/1191222136.db2.gz DQABUFISSGRIRI-QGZVFWFLSA-N 2 0 338.521 2.203 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484354233 1191315647 /nfs/dbraw/zinc/31/56/47/1191315647.db2.gz XDWJESUOSHJQFC-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001484377841 1191321303 /nfs/dbraw/zinc/32/13/03/1191321303.db2.gz SXJQZHHFORVWJD-ROUUACIJSA-N 2 0 347.503 2.010 10 0 EEAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001484374804 1191322071 /nfs/dbraw/zinc/32/20/71/1191322071.db2.gz BGBQFTMGHHVHGU-CVEARBPZSA-N 2 0 349.544 2.317 10 0 EEAERP CCc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484412026 1191339291 /nfs/dbraw/zinc/33/92/91/1191339291.db2.gz HJZQNUZRSQYFBV-KDURUIRLSA-N 2 0 329.488 2.091 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@@H]2CCCC2(F)F)CCC1 ZINC001484649255 1191454795 /nfs/dbraw/zinc/45/47/95/1191454795.db2.gz HOFCBCMTFNTZPB-AWEZNQCLSA-N 2 0 331.451 2.392 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC[C@H]3CCCC3(F)F)CCC2)C1 ZINC001484662436 1191462604 /nfs/dbraw/zinc/46/26/04/1191462604.db2.gz GQNAEDWDBWIGSO-HUUCEWRRSA-N 2 0 343.462 2.392 10 0 EEAERP CCC1([NH2+]C/C=C\Cl)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819147 1191539194 /nfs/dbraw/zinc/53/91/94/1191539194.db2.gz IACODPUSPRBPOA-UVCVVPOWSA-N 2 0 327.900 2.442 10 0 EEAERP CC[C@H](C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1)OC ZINC001484875997 1191559766 /nfs/dbraw/zinc/55/97/66/1191559766.db2.gz MYHWDNURMZUJHK-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C)on1 ZINC001484981449 1191600042 /nfs/dbraw/zinc/60/00/42/1191600042.db2.gz NYNTUAVTVUDPLK-JKSUJKDBSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485054720 1191633513 /nfs/dbraw/zinc/63/35/13/1191633513.db2.gz FUSZLGXAUMYWKW-ROUUACIJSA-N 2 0 339.524 2.207 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@H]1CCCCO1 ZINC001485077045 1191645040 /nfs/dbraw/zinc/64/50/40/1191645040.db2.gz XRFDYKGQMJUOOE-IAGOWNOFSA-N 2 0 348.491 2.143 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189287 1191686031 /nfs/dbraw/zinc/68/60/31/1191686031.db2.gz KYEONLXGACFFOA-LSDHHAIUSA-N 2 0 349.523 2.097 10 0 EEAERP CCc1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218462 1191690004 /nfs/dbraw/zinc/69/00/04/1191690004.db2.gz YWLODKFEXIKJIR-CVEARBPZSA-N 2 0 329.488 2.328 10 0 EEAERP CCc1ccc(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001485224367 1191696603 /nfs/dbraw/zinc/69/66/03/1191696603.db2.gz FBWJWFPMOIOFPR-DLBZAZTESA-N 2 0 331.504 2.370 10 0 EEAERP Cc1ncc(CN2CCCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001485484571 1191800646 /nfs/dbraw/zinc/80/06/46/1191800646.db2.gz IQIQIJAOSAOOCZ-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C)no3)[C@@H]2C1 ZINC001486166458 1193709245 /nfs/dbraw/zinc/70/92/45/1193709245.db2.gz KFZNLUKHQOVZDY-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cn1)C(C)(C)C ZINC001486423584 1193937682 /nfs/dbraw/zinc/93/76/82/1193937682.db2.gz HVIJZPCPVPPYIX-INIZCTEOSA-N 2 0 338.471 2.181 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001486453334 1193975018 /nfs/dbraw/zinc/97/50/18/1193975018.db2.gz YESYYVZDMCPNFB-NDYVEPOPSA-N 2 0 341.805 2.060 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001486453335 1193975036 /nfs/dbraw/zinc/97/50/36/1193975036.db2.gz YESYYVZDMCPNFB-QGILPKKRSA-N 2 0 341.805 2.060 10 0 EEAERP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001486465580 1193980844 /nfs/dbraw/zinc/98/08/44/1193980844.db2.gz AGCYYNQXWKNCRE-CGZBRXJRSA-N 2 0 348.491 2.245 10 0 EEAERP O=C(Cn1ccnc1)NCC1=CC[N@H+](C/C=C\c2ccccc2)CC1 ZINC001486521819 1194044059 /nfs/dbraw/zinc/04/40/59/1194044059.db2.gz NNWYRZYSIDYHIG-DAXSKMNVSA-N 2 0 336.439 2.345 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cscn2)C1 ZINC001272976643 1194285016 /nfs/dbraw/zinc/28/50/16/1194285016.db2.gz FXVBUYMTPCOMCO-GJZGRUSLSA-N 2 0 338.521 2.250 10 0 EEAERP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702101657 1195726794 /nfs/dbraw/zinc/72/67/94/1195726794.db2.gz ZBQQMNOLYPCOBL-CMKODMSKSA-N 2 0 329.488 2.340 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](Cc2cccc(F)c2)CC1(C)C ZINC001410011753 1197102910 /nfs/dbraw/zinc/10/29/10/1197102910.db2.gz AYKFOIDYZYXLII-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001410115041 1197554505 /nfs/dbraw/zinc/55/45/05/1197554505.db2.gz HSJDYNKSODESDP-OKYOBFRVSA-N 2 0 335.536 2.447 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001410372069 1197765389 /nfs/dbraw/zinc/76/53/89/1197765389.db2.gz BZBDBMSUARKVHH-GOEBONIOSA-N 2 0 336.480 2.048 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001410503844 1198058210 /nfs/dbraw/zinc/05/82/10/1198058210.db2.gz JKSCRTPWHLZFOD-HNNXBMFYSA-N 2 0 337.512 2.049 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000872254730 1198113870 /nfs/dbraw/zinc/11/38/70/1198113870.db2.gz CIEUVTHCDNLHOM-CWRNSKLLSA-N 2 0 343.452 2.268 10 0 EEAERP CC(C)c1ccc(CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872257747 1198115615 /nfs/dbraw/zinc/11/56/15/1198115615.db2.gz VUDAGZXDQGLHLO-OTWHNJEPSA-N 2 0 343.471 2.219 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000865450449 1198225089 /nfs/dbraw/zinc/22/50/89/1198225089.db2.gz PJARYNKOXZFCMV-UHFFFAOYSA-N 2 0 335.452 2.255 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001273375536 1198395795 /nfs/dbraw/zinc/39/57/95/1198395795.db2.gz STEXELLTVGMPIG-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001279180758 1198432960 /nfs/dbraw/zinc/43/29/60/1198432960.db2.gz GIRRAIBXNSFHMJ-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001410872712 1198525563 /nfs/dbraw/zinc/52/55/63/1198525563.db2.gz XQAHDSUXJUQJGD-FUHWJXTLSA-N 2 0 347.503 2.423 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)CC[NH+](C)C)CCC[C@@H]23)c(C)n1 ZINC001410884229 1198532171 /nfs/dbraw/zinc/53/21/71/1198532171.db2.gz AVOSBBLBVKBKEQ-UYAOXDASSA-N 2 0 344.503 2.263 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)CC[NH+](C)C)CCC[C@H]23)c(C)n1 ZINC001410884160 1198532447 /nfs/dbraw/zinc/53/24/47/1198532447.db2.gz AVOSBBLBVKBKEQ-AZUAARDMSA-N 2 0 344.503 2.263 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410890307 1198545016 /nfs/dbraw/zinc/54/50/16/1198545016.db2.gz BLEABPMPLPRNDO-UYAOXDASSA-N 2 0 344.503 2.345 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1cscn1)CC2 ZINC001410893354 1198547611 /nfs/dbraw/zinc/54/76/11/1198547611.db2.gz GWHMHZRVIJWLFX-RDJZCZTQSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001410998064 1198674693 /nfs/dbraw/zinc/67/46/93/1198674693.db2.gz ANZGVMPUSAIBHS-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(F)cc2)C(C)(C)C)C1 ZINC001411220470 1198930415 /nfs/dbraw/zinc/93/04/15/1198930415.db2.gz FWFWSWLNKIWKND-WBVHZDCISA-N 2 0 335.467 2.398 10 0 EEAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000810244374 1199398259 /nfs/dbraw/zinc/39/82/59/1199398259.db2.gz RLBDITSZMWRAGT-MAUKXSAKSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@@H]2CC=CCC2)C[C@H]1C[NH+](C)C ZINC000875844611 1199407115 /nfs/dbraw/zinc/40/71/15/1199407115.db2.gz MEMJNZUEVJARQR-KZNAEPCWSA-N 2 0 336.524 2.114 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810711086 1199689761 /nfs/dbraw/zinc/68/97/61/1199689761.db2.gz ZRHROWFOXRSZAR-RDTXWAMCSA-N 2 0 327.488 2.436 10 0 EEAERP COc1cnc(F)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000877059119 1199856265 /nfs/dbraw/zinc/85/62/65/1199856265.db2.gz JRNZRNTUWIUQKE-ZIAGYGMSSA-N 2 0 325.428 2.208 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(C)CCC(F)(F)CC2)C[C@H]1C[NH+](C)C ZINC000870016387 1200408989 /nfs/dbraw/zinc/40/89/89/1200408989.db2.gz MUHUOYAXRZTXLH-HUUCEWRRSA-N 2 0 345.478 2.400 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@H]1C[NH+](C)C ZINC000870024036 1200413392 /nfs/dbraw/zinc/41/33/92/1200413392.db2.gz HWNNVZBOUCSXFB-HZPDHXFCSA-N 2 0 337.895 2.080 10 0 EEAERP CCc1nccn1[C@H](C)CC(=O)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC000870093876 1200462948 /nfs/dbraw/zinc/46/29/48/1200462948.db2.gz XPWLZLQUQZBMRN-PBHICJAKSA-N 2 0 342.443 2.275 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1)C(C)C ZINC000870878813 1200927483 /nfs/dbraw/zinc/92/74/83/1200927483.db2.gz MMDKSVQLVASWEN-CQSZACIVSA-N 2 0 342.281 2.295 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)CC[C@H]21 ZINC000868184117 1201759486 /nfs/dbraw/zinc/75/94/86/1201759486.db2.gz YXTJXZMUICKPDR-DZJNRPSUSA-N 2 0 328.460 2.449 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000882393107 1201864661 /nfs/dbraw/zinc/86/46/61/1201864661.db2.gz WLTBOKIORHCXMX-OALUTQOASA-N 2 0 342.487 2.394 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001274002561 1204288350 /nfs/dbraw/zinc/28/83/50/1204288350.db2.gz LWGNAGLGNLPKDG-QZTJIDSGSA-N 2 0 349.519 2.225 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274608238 1205096010 /nfs/dbraw/zinc/09/60/10/1205096010.db2.gz DUGBJVHWTAAXAK-PXPVJAHISA-N 2 0 344.503 2.272 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275530061 1205398274 /nfs/dbraw/zinc/39/82/74/1205398274.db2.gz TVPKACHZFMAQCH-HZPDHXFCSA-N 2 0 327.513 2.015 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275571150 1205420635 /nfs/dbraw/zinc/42/06/35/1205420635.db2.gz NWGDWLAFBUIJFT-QWHCGFSZSA-N 2 0 326.872 2.058 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000925333478 1206099245 /nfs/dbraw/zinc/09/92/45/1206099245.db2.gz FENBXTRKRRJAHF-RDJZCZTQSA-N 2 0 332.492 2.289 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)CCc3ccccc3)C2)CC[N@@H+]1C ZINC000925340021 1206099472 /nfs/dbraw/zinc/09/94/72/1206099472.db2.gz AWRMUDRYINQMBX-NZSAHSFTSA-N 2 0 344.503 2.037 10 0 EEAERP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925509252 1206121223 /nfs/dbraw/zinc/12/12/23/1206121223.db2.gz VXMRLNMZNIENDY-RTBURBONSA-N 2 0 345.487 2.183 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925634955 1206138010 /nfs/dbraw/zinc/13/80/10/1206138010.db2.gz NMPGZEHNICYODH-CEXWTWQISA-N 3 0 331.504 2.249 10 0 EEAERP CC1(C)[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925720241 1206146152 /nfs/dbraw/zinc/14/61/52/1206146152.db2.gz XDPCCSCKTKRDHW-AKHDSKFASA-N 2 0 332.488 2.320 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839134 1206159102 /nfs/dbraw/zinc/15/91/02/1206159102.db2.gz GDKKNGNLNWLAHE-NBYUQASBSA-N 3 0 327.472 2.364 10 0 EEAERP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855215 1206161187 /nfs/dbraw/zinc/16/11/87/1206161187.db2.gz TUMSPVCYTCIZGE-NVXWUHKLSA-N 2 0 344.455 2.484 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cn1 ZINC000925854342 1206161255 /nfs/dbraw/zinc/16/12/55/1206161255.db2.gz IVIBOSKQJANLCV-ZBFHGGJFSA-N 2 0 335.423 2.193 10 0 EEAERP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854368 1206161355 /nfs/dbraw/zinc/16/13/55/1206161355.db2.gz RKMOKNIDDSEBQR-OLZOCXBDSA-N 2 0 349.500 2.358 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925857252 1206161746 /nfs/dbraw/zinc/16/17/46/1206161746.db2.gz ZHQNNCLISZUBJM-MSOLQXFVSA-N 2 0 328.456 2.283 10 0 EEAERP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925881993 1206163515 /nfs/dbraw/zinc/16/35/15/1206163515.db2.gz IEWBORQTGIKDBP-YZGWKJHDSA-N 2 0 331.504 2.339 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925905848 1206166068 /nfs/dbraw/zinc/16/60/68/1206166068.db2.gz KACKAEMMZNCYLF-SJLPKXTDSA-N 2 0 347.507 2.058 10 0 EEAERP C[NH2+]CCN(C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)C(C)C ZINC000925910969 1206167213 /nfs/dbraw/zinc/16/72/13/1206167213.db2.gz GNFNXGUFACZSNM-UHFFFAOYSA-N 2 0 347.507 2.209 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000926027643 1206183151 /nfs/dbraw/zinc/18/31/51/1206183151.db2.gz QSLCTSHWUNUIFQ-RHSMWYFYSA-N 2 0 334.464 2.137 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1(C)C ZINC000926358492 1206215589 /nfs/dbraw/zinc/21/55/89/1206215589.db2.gz ZRLDGXVBOCUCOQ-MJGOQNOKSA-N 2 0 330.520 2.408 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1ccccc1Br ZINC000926556015 1206227269 /nfs/dbraw/zinc/22/72/69/1206227269.db2.gz PZZLOWANEYVFAU-YPPUGPRSSA-N 2 0 339.277 2.412 10 0 EEAERP CC[N@H+](CC(=O)N1CCOC(C)(C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000931272036 1206620776 /nfs/dbraw/zinc/62/07/76/1206620776.db2.gz PJNLCQIWCLXBGT-UHFFFAOYSA-N 2 0 347.503 2.208 10 0 EEAERP CC(C)(C)OC(=O)N1CC[C@@H](CN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931512955 1207401804 /nfs/dbraw/zinc/40/18/04/1207401804.db2.gz OYAGBTCCHOPYNW-ZDUSSCGKSA-N 2 0 332.448 2.279 10 0 EEAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902796075 1238550860 /nfs/dbraw/zinc/55/08/60/1238550860.db2.gz MGHPTRILIBKZAM-IRXDYDNUSA-N 2 0 327.476 2.159 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001413478107 1238780020 /nfs/dbraw/zinc/78/00/20/1238780020.db2.gz RZRWELRONLVCLI-FUHWJXTLSA-N 2 0 330.476 2.239 10 0 EEAERP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903439692 1240478134 /nfs/dbraw/zinc/47/81/34/1240478134.db2.gz LPGCTVBBGJFSPH-KURKYZTESA-N 2 0 345.487 2.034 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000903441762 1240483961 /nfs/dbraw/zinc/48/39/61/1240483961.db2.gz AMRNDZDABCABFH-GXTWGEPZSA-N 2 0 339.281 2.094 10 0 EEAERP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Cl ZINC000903495297 1240665778 /nfs/dbraw/zinc/66/57/78/1240665778.db2.gz ZCXXFUHAZIVOPN-VXGBXAGGSA-N 2 0 325.840 2.204 10 0 EEAERP C[C@@H]1C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@H]1CC[NH3+] ZINC000903500214 1240688337 /nfs/dbraw/zinc/68/83/37/1240688337.db2.gz WPAWFXDJGQIXJU-VXGBXAGGSA-N 2 0 326.400 2.498 10 0 EEAERP C[C@]1(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)COC(=O)N1 ZINC000903563404 1240953435 /nfs/dbraw/zinc/95/34/35/1240953435.db2.gz BIYLCIRYJKXGSV-LJQANCHMSA-N 2 0 329.444 2.043 10 0 EEAERP c1ccc([C@]23COC[C@H]2C[N@@H+](C[C@@H]2CC4(CO2)CC[NH2+]CC4)C3)cc1 ZINC000903785187 1241956979 /nfs/dbraw/zinc/95/69/79/1241956979.db2.gz WDLBGRUUJBIPOI-DYXWJJEUSA-N 2 0 342.483 2.045 10 0 EEAERP C[N@H+](CCN1CCN(c2ccccc2)CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896164 1242373429 /nfs/dbraw/zinc/37/34/29/1242373429.db2.gz SUKIZDNNAAQBAL-IHWFROFDSA-N 2 0 342.531 2.271 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903981285 1242849569 /nfs/dbraw/zinc/84/95/69/1242849569.db2.gz AUERBWZBZIATAF-JKSUJKDBSA-N 2 0 345.409 2.339 10 0 EEAERP C[C@@]1([C@@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)COC(=O)N1 ZINC000903986439 1242878974 /nfs/dbraw/zinc/87/89/74/1242878974.db2.gz JQZSELOOPMERDU-DYVFJYSZSA-N 2 0 335.473 2.104 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001491073847 1258648453 /nfs/dbraw/zinc/64/84/53/1258648453.db2.gz WARREAOCCJMCKY-OKILXGFUSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC001491299883 1258924476 /nfs/dbraw/zinc/92/44/76/1258924476.db2.gz JXEMOWCGWWLBEB-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001491523787 1259183306 /nfs/dbraw/zinc/18/33/06/1259183306.db2.gz SVAAORLUVVWJID-RGDDUWESSA-N 2 0 327.432 2.332 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273457587 1278447281 /nfs/dbraw/zinc/44/72/81/1278447281.db2.gz KHXSOYNOBMORIG-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)COC1CC[NH+](C)CC1 ZINC001273681596 1283224590 /nfs/dbraw/zinc/22/45/90/1283224590.db2.gz WOWLURZQIXWGSM-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001488691032 1290133224 /nfs/dbraw/zinc/13/32/24/1290133224.db2.gz HNJJFOIGKBIPDA-HXUWFJFHSA-N 2 0 343.515 2.420 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001488960923 1290280814 /nfs/dbraw/zinc/28/08/14/1290280814.db2.gz MGLMYZVTBHMRRD-BFHYXJOUSA-N 2 0 335.414 2.155 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000854233149 1292681717 /nfs/dbraw/zinc/68/17/17/1292681717.db2.gz YZBRCVIBWZNUBY-ZDUSSCGKSA-N 2 0 338.883 2.376 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cn[nH]c3)C2)ccn1 ZINC000856604697 1293580678 /nfs/dbraw/zinc/58/06/78/1293580678.db2.gz PQRLKFWBGWWCPJ-LJQANCHMSA-N 2 0 343.475 2.341 10 0 EEAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542897 1296327225 /nfs/dbraw/zinc/32/72/25/1296327225.db2.gz UGDHXGTVCAQCAV-GMBSWORKSA-N 2 0 328.412 2.094 10 0 EEAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491162239 1299641543 /nfs/dbraw/zinc/64/15/43/1299641543.db2.gz PVABMRMUXBKXPE-HNNXBMFYSA-N 2 0 327.432 2.119 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277770400 1304377766 /nfs/dbraw/zinc/37/77/66/1304377766.db2.gz CQMZYLFKAOZNBX-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1)[NH+](C)C ZINC001277874529 1305004134 /nfs/dbraw/zinc/00/41/34/1305004134.db2.gz PUUODEHBSXAOOD-MJGOQNOKSA-N 2 0 347.503 2.232 10 0 EEAERP Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)cc1 ZINC000843386410 1315904799 /nfs/dbraw/zinc/90/47/99/1315904799.db2.gz HIUKDSZAWWLCJB-SCTDSRPQSA-N 2 0 327.472 2.422 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCc3ccccc3)C2)CC1 ZINC001278542295 1317188373 /nfs/dbraw/zinc/18/83/73/1317188373.db2.gz LGQUFJDDLVPBOP-OAQYLSRUSA-N 2 0 343.515 2.399 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCF)C1)c1ccccc1 ZINC001278572300 1317260560 /nfs/dbraw/zinc/26/05/60/1317260560.db2.gz MZRMSODDRWMZFB-PKOBYXMFSA-N 2 0 335.467 2.477 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)CC1 ZINC001278676392 1317660878 /nfs/dbraw/zinc/66/08/78/1317660878.db2.gz GDWGYGPUFLCILA-INIZCTEOSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@@H]([NH2+]Cc1nccs1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038054 1319059851 /nfs/dbraw/zinc/05/98/51/1319059851.db2.gz DNBJVNISDWJLFG-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264122345 1322633827 /nfs/dbraw/zinc/63/38/27/1322633827.db2.gz LBUYAQPPYGGMDT-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nocc1C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265167389 1322961477 /nfs/dbraw/zinc/96/14/77/1322961477.db2.gz NOYSVPCXMYGXOS-UHFFFAOYSA-N 2 0 346.475 2.082 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265294931 1323044774 /nfs/dbraw/zinc/04/47/74/1323044774.db2.gz MLRPNMOYFYOCDK-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001265443160 1323157414 /nfs/dbraw/zinc/15/74/14/1323157414.db2.gz RLDGYERIEFVZDE-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CCOCC1CC1)C12CCC[NH+]1CCC2 ZINC001265676105 1323315271 /nfs/dbraw/zinc/31/52/71/1323315271.db2.gz WNCHMLQGDRXXSK-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCOc1ccccc1 ZINC001265790107 1323382447 /nfs/dbraw/zinc/38/24/47/1323382447.db2.gz GHARUFDOGAXIKQ-KRWDZBQOSA-N 2 0 345.487 2.036 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001265925177 1323490553 /nfs/dbraw/zinc/49/05/53/1323490553.db2.gz MNKIPNFWDZFTFK-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001265940164 1323503929 /nfs/dbraw/zinc/50/39/29/1323503929.db2.gz MMYYYYNFKNAZID-AMGQUURNSA-N 2 0 339.483 2.376 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1N(C)C ZINC001266027956 1323577956 /nfs/dbraw/zinc/57/79/56/1323577956.db2.gz DHEPOVXHOJJHIP-IBGZPJMESA-N 2 0 346.519 2.175 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001266029383 1323580546 /nfs/dbraw/zinc/58/05/46/1323580546.db2.gz PNJCBVCOQPIBCN-WOJBJXKFSA-N 2 0 343.515 2.317 10 0 EEAERP CC/C=C\CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001276539832 1324012759 /nfs/dbraw/zinc/01/27/59/1324012759.db2.gz GIMBYNMFFFYXLG-DYIICSRESA-N 2 0 349.519 2.130 10 0 EEAERP CC/C=C\CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001276539831 1324012988 /nfs/dbraw/zinc/01/29/88/1324012988.db2.gz GIMBYNMFFFYXLG-CDDIUSEKSA-N 2 0 349.519 2.130 10 0 EEAERP COCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001281098080 1324760657 /nfs/dbraw/zinc/76/06/57/1324760657.db2.gz AZNYCFWJDMATJM-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(CC[NH2+]CC2CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001282058585 1325603034 /nfs/dbraw/zinc/60/30/34/1325603034.db2.gz PVZGHWRMECTTCJ-KKXNLOMOSA-N 2 0 343.515 2.364 10 0 EEAERP COCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001282462549 1325727090 /nfs/dbraw/zinc/72/70/90/1325727090.db2.gz WAOPEXZMBFSFKS-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCCC(F)(F)F ZINC001283611736 1326161922 /nfs/dbraw/zinc/16/19/22/1326161922.db2.gz KAUVJRBCGVAMAU-HIFRSBDPSA-N 2 0 349.441 2.497 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001284155819 1326438898 /nfs/dbraw/zinc/43/88/98/1326438898.db2.gz WKXCXJSQGYBNKV-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCCC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)c(F)c1 ZINC001285016331 1326829810 /nfs/dbraw/zinc/82/98/10/1326829810.db2.gz TULQDOATKJPLIO-UHFFFAOYSA-N 2 0 333.451 2.427 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(C)nc1 ZINC001584323973 1348729779 /nfs/dbraw/zinc/72/97/79/1348729779.db2.gz DUJMABGPXWOEPO-VYENPZKTSA-N 2 0 344.503 2.278 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491887485 1330290049 /nfs/dbraw/zinc/29/00/49/1330290049.db2.gz YRBOHKYNLQMDSD-IAGOWNOFSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001492046490 1330419931 /nfs/dbraw/zinc/41/99/31/1330419931.db2.gz MGIOCWQNJYNQQG-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCc1ccccc1Cl ZINC001492126813 1330980416 /nfs/dbraw/zinc/98/04/16/1330980416.db2.gz AAWTXGWDXHTPGR-OAHLLOKOSA-N 2 0 337.895 2.463 10 0 EEAERP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001492473944 1331277667 /nfs/dbraw/zinc/27/76/67/1331277667.db2.gz HVEFJOGVLWDSBY-QGZVFWFLSA-N 2 0 347.503 2.215 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001317335550 1332183776 /nfs/dbraw/zinc/18/37/76/1332183776.db2.gz RGKHVGGNROKJLF-OAHLLOKOSA-N 2 0 335.517 2.071 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317374475 1332202219 /nfs/dbraw/zinc/20/22/19/1332202219.db2.gz DNCHUWTXXARHJN-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001317622454 1332332604 /nfs/dbraw/zinc/33/26/04/1332332604.db2.gz LOFVULNSRMBBRR-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP CN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)CCc1cncn1C ZINC001317654590 1332351667 /nfs/dbraw/zinc/35/16/67/1332351667.db2.gz PDGAOXJGAAXXPB-UHFFFAOYSA-N 2 0 342.434 2.226 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)cn1 ZINC001318978636 1332631914 /nfs/dbraw/zinc/63/19/14/1332631914.db2.gz GARPBEHQMVFLNS-IYARVYRRSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)CCC[NH+](C)C ZINC001319524414 1332715958 /nfs/dbraw/zinc/71/59/58/1332715958.db2.gz VPTKWDJHTBMPBD-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccon1 ZINC001319759513 1332760882 /nfs/dbraw/zinc/76/08/82/1332760882.db2.gz ZPBZZQJZUOBQAO-ROUUACIJSA-N 2 0 348.491 2.410 10 0 EEAERP Cc1cccc(OCC[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001320464943 1332890230 /nfs/dbraw/zinc/89/02/30/1332890230.db2.gz WBFWSYAZMSGDTI-IEBWSBKVSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320527898 1332903469 /nfs/dbraw/zinc/90/34/69/1332903469.db2.gz DCZNPGAFEUXMLY-MAUKXSAKSA-N 2 0 348.491 2.456 10 0 EEAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320819457 1332959341 /nfs/dbraw/zinc/95/93/41/1332959341.db2.gz JEQPEDTVLNGAKG-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP CCN(CCNCc1nocc1C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320862291 1332967158 /nfs/dbraw/zinc/96/71/58/1332967158.db2.gz IROYSSDXMUIZKK-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1)C(=O)C[NH+]1CCC(C)CC1 ZINC001320876287 1332969770 /nfs/dbraw/zinc/96/97/70/1332969770.db2.gz LIJOLJQGKGHMPX-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP CCc1ccccc1CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320999262 1332994413 /nfs/dbraw/zinc/99/44/13/1332994413.db2.gz UCGABWMARYYHPR-RURPWVQCSA-N 2 0 329.488 2.148 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001321212264 1333046408 /nfs/dbraw/zinc/04/64/08/1333046408.db2.gz XHFJIVRBKLKRMG-GFXSFYIYSA-N 2 0 329.488 2.487 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001321282177 1333063864 /nfs/dbraw/zinc/06/38/64/1333063864.db2.gz VQTWCAHKFJHAAF-VOFKWLDRSA-N 2 0 344.503 2.415 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321842107 1333165988 /nfs/dbraw/zinc/16/59/88/1333165988.db2.gz LKKJUDVWBDSBCB-ZFWWWQNUSA-N 2 0 338.883 2.202 10 0 EEAERP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001322792666 1333327028 /nfs/dbraw/zinc/32/70/28/1333327028.db2.gz KZFIDLSPOKBEFP-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001324812198 1333765039 /nfs/dbraw/zinc/76/50/39/1333765039.db2.gz DAZLPDMXLIWPHP-BBRMVZONSA-N 2 0 348.318 2.475 10 0 EEAERP CCOCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001325416017 1333882317 /nfs/dbraw/zinc/88/23/17/1333882317.db2.gz KMBGTAQUSGUHQY-CABCVRRESA-N 2 0 344.459 2.430 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001325690153 1333941067 /nfs/dbraw/zinc/94/10/67/1333941067.db2.gz RUFXEJNWZAHXIU-QZTJIDSGSA-N 2 0 335.467 2.447 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC001326410784 1334087499 /nfs/dbraw/zinc/08/74/99/1334087499.db2.gz COVFGRFKDFAEGK-WMZOPIPTSA-N 2 0 349.523 2.132 10 0 EEAERP CC[C@@H](C[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1)OC ZINC001326603605 1334123117 /nfs/dbraw/zinc/12/31/17/1334123117.db2.gz MAEOJWWMZHFBLY-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC/C=C/CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001327033559 1334207566 /nfs/dbraw/zinc/20/75/66/1334207566.db2.gz CPHDHZUWPMSMDY-OZSKJFCKSA-N 2 0 339.524 2.138 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001327034617 1334208200 /nfs/dbraw/zinc/20/82/00/1334208200.db2.gz MIMKANGWYVWCRX-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001327165054 1334238809 /nfs/dbraw/zinc/23/88/09/1334238809.db2.gz ZOGNPCBBLDYQMT-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCOCCNC(=O)C12CCC[NH+]1CCC2)CCC(C)(C)C ZINC001331134286 1334969098 /nfs/dbraw/zinc/96/90/98/1334969098.db2.gz UWEVXYCPVZQLOD-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001331455218 1335016396 /nfs/dbraw/zinc/01/63/96/1335016396.db2.gz FYYUKGURGWGWKT-ROUUACIJSA-N 2 0 346.450 2.180 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001331614388 1335045605 /nfs/dbraw/zinc/04/56/05/1335045605.db2.gz XACMXACFPKQSLH-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001332184904 1335756789 /nfs/dbraw/zinc/75/67/89/1335756789.db2.gz LRJQTRLJZVXXAE-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CCCCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001332427451 1335822478 /nfs/dbraw/zinc/82/24/78/1335822478.db2.gz KCKILQDVUCGPPL-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C\c1cccnc1 ZINC000847418954 1338047192 /nfs/dbraw/zinc/04/71/92/1338047192.db2.gz MMAHICPICKYADB-FCUDFIOSSA-N 2 0 344.503 2.359 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cccc(F)c1F ZINC001480514990 1338278430 /nfs/dbraw/zinc/27/84/30/1338278430.db2.gz BSDFFLRVYCOZSP-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc([C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000849095042 1338837640 /nfs/dbraw/zinc/83/76/40/1338837640.db2.gz VOHGEPZRYRPMSN-WMZOPIPTSA-N 2 0 330.476 2.377 10 0 EEAERP [NH2+]=C(NCc1cccnc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849095987 1338838586 /nfs/dbraw/zinc/83/85/86/1338838586.db2.gz VZRNFQTWCNMBHO-UHFFFAOYSA-N 2 0 341.434 2.499 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)cc1 ZINC000849095142 1338839288 /nfs/dbraw/zinc/83/92/88/1338839288.db2.gz LIJTVFCVYQGXHW-INIZCTEOSA-N 2 0 348.491 2.152 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC001620714981 1352362202 /nfs/dbraw/zinc/36/22/02/1352362202.db2.gz CPWBQZIGHIWAGW-FQEVSTJZSA-N 2 0 331.504 2.211 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001433694633 1341661625 /nfs/dbraw/zinc/66/16/25/1341661625.db2.gz NJAFHZMDYNZCBS-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP COCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001500293725 1342140823 /nfs/dbraw/zinc/14/08/23/1342140823.db2.gz ZQSWLIAKOQZGHP-HXUWFJFHSA-N 2 0 347.503 2.369 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001674146350 1356798381 /nfs/dbraw/zinc/79/83/81/1356798381.db2.gz DDWQROPNKOMHIU-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP Cc1cccnc1C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001676001349 1357085344 /nfs/dbraw/zinc/08/53/44/1357085344.db2.gz IKKYFQBAMPAEGS-IRXDYDNUSA-N 2 0 332.492 2.106 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001566811695 1342632958 /nfs/dbraw/zinc/63/29/58/1342632958.db2.gz XDMOMEZMCDMLMM-SHTZXODSSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001567016580 1342678878 /nfs/dbraw/zinc/67/88/78/1342678878.db2.gz ILCLTWLMMURPCQ-ZHALLVOQSA-N 2 0 347.503 2.117 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001567048579 1342685935 /nfs/dbraw/zinc/68/59/35/1342685935.db2.gz YJSLTJOXVOTMNR-SQNIBIBYSA-N 2 0 347.503 2.198 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCc2cccc(F)c2)C1 ZINC001567139353 1342700630 /nfs/dbraw/zinc/70/06/30/1342700630.db2.gz ZRSXCWOEMSCKFZ-KRWDZBQOSA-N 2 0 335.467 2.148 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001567138660 1342700740 /nfs/dbraw/zinc/70/07/40/1342700740.db2.gz LPWVIRWBCLNLRA-IUYMFKLXSA-N 2 0 329.488 2.480 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CCCF)cc1 ZINC001567183500 1342706580 /nfs/dbraw/zinc/70/65/80/1342706580.db2.gz DYCYGIOHYBNXGR-SFHVURJKSA-N 2 0 335.467 2.279 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)no1 ZINC001567259785 1342724550 /nfs/dbraw/zinc/72/45/50/1342724550.db2.gz ITSQXRLOSYKYJH-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001676005187 1357086796 /nfs/dbraw/zinc/08/67/96/1357086796.db2.gz JHDVQSUQEAGLLL-MRXNPFEDSA-N 2 0 347.478 2.339 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(N(C)C)c1 ZINC001567504406 1342773777 /nfs/dbraw/zinc/77/37/77/1342773777.db2.gz JMOYFRFCUAVDRL-IBGZPJMESA-N 2 0 346.519 2.175 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001569818692 1342951382 /nfs/dbraw/zinc/95/13/82/1342951382.db2.gz FSJXLVLRZMMOHW-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001569985228 1342988990 /nfs/dbraw/zinc/98/89/90/1342988990.db2.gz NUYYRCWDWITPET-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP COc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571380031 1343201267 /nfs/dbraw/zinc/20/12/67/1343201267.db2.gz HQJYTQXOINLXAG-AEFFLSMTSA-N 2 0 347.503 2.159 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCCCC(F)(F)F)C(C)(C)C1 ZINC001571563972 1343238538 /nfs/dbraw/zinc/23/85/38/1343238538.db2.gz UOZQSSZVVIETPY-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP COc1ccc(C[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)cc1C ZINC001571693521 1343275974 /nfs/dbraw/zinc/27/59/74/1343275974.db2.gz BGKNYDMVHFWRHB-UHFFFAOYSA-N 2 0 345.487 2.204 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncs1 ZINC001649469457 1353522822 /nfs/dbraw/zinc/52/28/22/1353522822.db2.gz GOLRIKPULIUCTN-GDBMZVCRSA-N 2 0 338.521 2.392 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001649835405 1353619551 /nfs/dbraw/zinc/61/95/51/1353619551.db2.gz CXIZIMDKKVHKGF-CQSZACIVSA-N 2 0 332.423 2.173 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001656446799 1354237611 /nfs/dbraw/zinc/23/76/11/1354237611.db2.gz CSZLKRBICSNEAV-QAPCUYQASA-N 2 0 348.491 2.123 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001657013900 1354308961 /nfs/dbraw/zinc/30/89/61/1354308961.db2.gz PNDJFSOSFRVAFT-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660368065 1354449936 /nfs/dbraw/zinc/44/99/36/1354449936.db2.gz CTICEVRPMVAUJE-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C[C@H]1CCCCO1 ZINC001660632671 1354505622 /nfs/dbraw/zinc/50/56/22/1354505622.db2.gz UODUPJHURONMNO-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001662319508 1354780039 /nfs/dbraw/zinc/78/00/39/1354780039.db2.gz JRLJPEDJNIILJZ-NEPJUHHUSA-N 2 0 336.307 2.006 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001663008650 1354887182 /nfs/dbraw/zinc/88/71/82/1354887182.db2.gz LUJOZLARWCVIJJ-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CN1CCO[C@@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001663039475 1354899917 /nfs/dbraw/zinc/89/99/17/1354899917.db2.gz LPGJLHYNZYBDST-RTBURBONSA-N 2 0 349.519 2.178 10 0 EEAERP C[NH+](CC(=O)NCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C1CCC1 ZINC001663196616 1354933669 /nfs/dbraw/zinc/93/36/69/1354933669.db2.gz CYROXIZPGKSSAW-GFCCVEGCSA-N 2 0 336.307 2.103 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001663992531 1355069372 /nfs/dbraw/zinc/06/93/72/1355069372.db2.gz LMKPCSMATRQRNA-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCOCC)C2)C1 ZINC001665013110 1355264589 /nfs/dbraw/zinc/26/45/89/1355264589.db2.gz IVHAJPCOJNRRTL-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001665681832 1355358231 /nfs/dbraw/zinc/35/82/31/1355358231.db2.gz OKTQQKRCUZJQMR-GOSISDBHSA-N 2 0 347.503 2.460 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001665686663 1355361211 /nfs/dbraw/zinc/36/12/11/1355361211.db2.gz NNKNUZOSXVKXPB-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)OC ZINC001666115260 1355456210 /nfs/dbraw/zinc/45/62/10/1355456210.db2.gz LHMQVWAGEJFLEH-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001666218934 1355488104 /nfs/dbraw/zinc/48/81/04/1355488104.db2.gz HPMCRXBVQFNMEK-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCc1ccccc1F ZINC001666630636 1355555919 /nfs/dbraw/zinc/55/59/19/1355555919.db2.gz YPQPIJFRSJWCIA-INIZCTEOSA-N 2 0 349.494 2.442 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976765 1355626504 /nfs/dbraw/zinc/62/65/04/1355626504.db2.gz KYPZQZCGVPSLOI-YRYLYKBFSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001667286142 1355698782 /nfs/dbraw/zinc/69/87/82/1355698782.db2.gz XRNZCCYNWOSZDP-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)oc1C ZINC001668186202 1355894893 /nfs/dbraw/zinc/89/48/93/1355894893.db2.gz WCSAMVWMTZYCGA-WWGRRREGSA-N 2 0 336.480 2.006 10 0 EEAERP CCN(CC[NH2+]Cc1nsc2ccccc12)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668640401 1355977819 /nfs/dbraw/zinc/97/78/19/1355977819.db2.gz BVVQAUCRCGGMJN-AWEZNQCLSA-N 2 0 346.500 2.186 10 0 EEAERP CCN(CC[NH2+]Cc1scnc1C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668651894 1355979245 /nfs/dbraw/zinc/97/92/45/1355979245.db2.gz ASQIYHHYKVMOKV-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001669020635 1356069033 /nfs/dbraw/zinc/06/90/33/1356069033.db2.gz GSMFECWCUHLYJO-VZSQWMKGSA-N 2 0 327.472 2.278 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001669038905 1356074347 /nfs/dbraw/zinc/07/43/47/1356074347.db2.gz GWJVHYVGNTYXNY-VNHAASDWSA-N 2 0 343.462 2.416 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)C1 ZINC001669140429 1356105610 /nfs/dbraw/zinc/10/56/10/1356105610.db2.gz ZHCZBKNWFWNTTL-KBIGUFJUSA-N 2 0 335.414 2.321 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001669320682 1356144895 /nfs/dbraw/zinc/14/48/95/1356144895.db2.gz PKOPZMPRWDEEOY-KBRIMQKVSA-N 2 0 344.434 2.379 10 0 EEAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001672285918 1356494040 /nfs/dbraw/zinc/49/40/40/1356494040.db2.gz BYYOGVQDNCYMKP-HKUYNNGSSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001672320331 1356500650 /nfs/dbraw/zinc/50/06/50/1356500650.db2.gz HIVNYPPKBRPWIU-RDLIDLCESA-N 2 0 327.900 2.155 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001672816915 1356591726 /nfs/dbraw/zinc/59/17/26/1356591726.db2.gz ZCIIERZWIZTICZ-QAPCUYQASA-N 2 0 348.491 2.050 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001673131508 1356648035 /nfs/dbraw/zinc/64/80/35/1356648035.db2.gz LYLKXGCJKXOWEM-ZWKOTPCHSA-N 2 0 347.478 2.291 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C)o1 ZINC001673933900 1356762938 /nfs/dbraw/zinc/76/29/38/1356762938.db2.gz QNMLHPPKTGVHGS-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC001674554392 1356857416 /nfs/dbraw/zinc/85/74/16/1356857416.db2.gz HWNUQOZIOAOHQZ-ACBHZAAOSA-N 2 0 329.488 2.198 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCCC1 ZINC001675201982 1356944988 /nfs/dbraw/zinc/94/49/88/1356944988.db2.gz STJJZUDXBKBUEX-KRWDZBQOSA-N 2 0 339.524 2.306 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001698717313 1405021179 /nfs/dbraw/zinc/02/11/79/1405021179.db2.gz LTWBMJFNRVATRA-BZSNNMDCSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CCC(F)(F)F)cc1 ZINC001698717649 1405021324 /nfs/dbraw/zinc/02/13/24/1405021324.db2.gz XPYKRKTXHXZWNU-UHFFFAOYSA-N 2 0 331.382 2.297 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001699109082 1405264938 /nfs/dbraw/zinc/26/49/38/1405264938.db2.gz YHQVYMLRFXSBTR-SUMWQHHRSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](C[NH2+]CCCCC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699409192 1405350415 /nfs/dbraw/zinc/35/04/15/1405350415.db2.gz UCAGWDGKUOMLQK-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(Cl)nc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441126 1405356368 /nfs/dbraw/zinc/35/63/68/1405356368.db2.gz JNBXMAFIIKHLRH-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP Cc1oncc1C[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001699706883 1405456290 /nfs/dbraw/zinc/45/62/90/1405456290.db2.gz UGVAZBONXCSNQF-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC001167458206 759633608 /nfs/dbraw/zinc/63/36/08/759633608.db2.gz SHYZUQTXGQWBOQ-HKUYNNGSSA-N 2 0 340.508 2.279 10 0 EEAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCc2ccc(C3CC[NH2+]CC3)nc21 ZINC000888097799 777715313 /nfs/dbraw/zinc/71/53/13/777715313.db2.gz OXKXTIOHRQXGIL-PBHICJAKSA-N 2 0 342.487 2.216 10 0 EEAERP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000906091861 783694747 /nfs/dbraw/zinc/69/47/47/783694747.db2.gz ZLZXYZMKIGCWFJ-BZUAXINKSA-N 2 0 325.403 2.200 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000908938613 785861780 /nfs/dbraw/zinc/86/17/80/785861780.db2.gz ZPJGZYHXEKBTJT-UHFFFAOYSA-N 2 0 327.472 2.253 10 0 EEAERP C[C@@]1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[NH+]2CCC1CC2 ZINC000912380449 788133529 /nfs/dbraw/zinc/13/35/29/788133529.db2.gz SIGBSSZYIZFZSW-HXUWFJFHSA-N 2 0 336.439 2.461 10 0 EEAERP C[NH+](C)[C@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C12CCC2 ZINC000912603163 788261638 /nfs/dbraw/zinc/26/16/38/788261638.db2.gz YEDCMYNSEQMTGM-IRXDYDNUSA-N 2 0 349.519 2.011 10 0 EEAERP COC[C@H](C)[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000923412521 789519261 /nfs/dbraw/zinc/51/92/61/789519261.db2.gz ZBYROMNMJBXVKR-WDYCEAGBSA-N 2 0 330.472 2.389 10 0 EEAERP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000923426234 789527518 /nfs/dbraw/zinc/52/75/18/789527518.db2.gz OFCZDONUKWJAAV-NORZTCDRSA-N 2 0 345.270 2.274 10 0 EEAERP Clc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1Br ZINC000923460828 789594490 /nfs/dbraw/zinc/59/44/90/789594490.db2.gz RSJQAGUXTWSDNV-UHFFFAOYSA-N 2 0 332.673 2.097 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923509279 789695364 /nfs/dbraw/zinc/69/53/64/789695364.db2.gz PBXBULNQCUBYPC-NWDGAFQWSA-N 2 0 345.365 2.440 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715495825 795406851 /nfs/dbraw/zinc/40/68/51/795406851.db2.gz OKVWTRIRIPUQFO-QWFCFKBJSA-N 2 0 327.472 2.157 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3nccc4c3CCCC4)C2)CC1 ZINC000921733148 795640827 /nfs/dbraw/zinc/64/08/27/795640827.db2.gz MDLFDSGBQOOFRO-QGZVFWFLSA-N 2 0 328.504 2.219 10 0 EEAERP CC(C)C(=O)NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716676800 796406013 /nfs/dbraw/zinc/40/60/13/796406013.db2.gz CWNJCVCQWNTNLA-FHWLQOOXSA-N 2 0 329.488 2.401 10 0 EEAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCc2ccc(C3CC[NH2+]CC3)nc21 ZINC000825080531 800309893 /nfs/dbraw/zinc/30/98/93/800309893.db2.gz OXKXTIOHRQXGIL-RHSMWYFYSA-N 2 0 342.487 2.216 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000922801124 801947007 /nfs/dbraw/zinc/94/70/07/801947007.db2.gz CRZOCOOLXJARLV-UONOGXRCSA-N 2 0 339.281 2.351 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001566071985 1125545986 /nfs/dbraw/zinc/54/59/86/1125545986.db2.gz PHSTWWHKFBVUHO-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)c1ncc(C)o1 ZINC001566572298 1125749656 /nfs/dbraw/zinc/74/96/56/1125749656.db2.gz PGMFVYLKEPCLRI-HZPDHXFCSA-N 2 0 336.480 2.214 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H]1CCCO1)[NH+](C)C ZINC001436500381 1088025400 /nfs/dbraw/zinc/02/54/00/1088025400.db2.gz PSXIOPUFSAQZQD-OKZBNKHCSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001436503125 1088038767 /nfs/dbraw/zinc/03/87/67/1088038767.db2.gz ZWLLTXLHTRMFGR-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCOCC1 ZINC001436663784 1088093304 /nfs/dbraw/zinc/09/33/04/1088093304.db2.gz HJZGFYGLNPESHG-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1 ZINC001436790369 1088351528 /nfs/dbraw/zinc/35/15/28/1088351528.db2.gz QTENLVXBFNGTAZ-NSISKUIASA-N 2 0 343.515 2.362 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2c(C)noc2C)C2CC2)CC[N@@H+]1C ZINC001436794707 1088363570 /nfs/dbraw/zinc/36/35/70/1088363570.db2.gz XWLPNOYLVUCTNB-RYQLBKOJSA-N 2 0 348.491 2.006 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001437265664 1089412892 /nfs/dbraw/zinc/41/28/92/1089412892.db2.gz QOKPPACDBQOKRI-CJNGLKHVSA-N 2 0 338.521 2.166 10 0 EEAERP C[N@H+](CCC(F)(F)F)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001437341015 1089538934 /nfs/dbraw/zinc/53/89/34/1089538934.db2.gz STNLBHJGOINQEX-HUUCEWRRSA-N 2 0 347.425 2.203 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001437382177 1089631409 /nfs/dbraw/zinc/63/14/09/1089631409.db2.gz KCJAJOLVRXRIQM-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccon1 ZINC001437381951 1089631530 /nfs/dbraw/zinc/63/15/30/1089631530.db2.gz PKYGZWLSYQPYFO-RHSMWYFYSA-N 2 0 334.464 2.066 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001437420988 1089706813 /nfs/dbraw/zinc/70/68/13/1089706813.db2.gz GEOJSOFXHAHQFD-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP CCc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2CC)o1 ZINC001437425598 1089713111 /nfs/dbraw/zinc/71/31/11/1089713111.db2.gz FVSYGUNJAPXFQY-GDBMZVCRSA-N 2 0 336.480 2.096 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC001437426682 1089717599 /nfs/dbraw/zinc/71/75/99/1089717599.db2.gz JAOOBGISZCKPPL-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCc2ccccc21 ZINC001437595942 1090100855 /nfs/dbraw/zinc/10/08/55/1090100855.db2.gz ZDNITMRRTXGXRZ-VQTJNVASSA-N 2 0 341.499 2.454 10 0 EEAERP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCc2ccccc21 ZINC001437619396 1090129546 /nfs/dbraw/zinc/12/95/46/1090129546.db2.gz RJNMVYZNCZMYLR-GOSISDBHSA-N 2 0 329.488 2.454 10 0 EEAERP O=C(NCC[N@H+](C/C=C\c1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001437818575 1090412518 /nfs/dbraw/zinc/41/25/18/1090412518.db2.gz VQYMNDLNZNVBOL-DAXSKMNVSA-N 2 0 339.483 2.376 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCF)C1)[NH+]1CCCCC1 ZINC001437994340 1090594050 /nfs/dbraw/zinc/59/40/50/1090594050.db2.gz WHDYCOWZEICZGK-IAGOWNOFSA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001438031996 1090614168 /nfs/dbraw/zinc/61/41/68/1090614168.db2.gz WXRJLSIHDCCTGP-CABCVRRESA-N 2 0 331.451 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC001438160293 1090674047 /nfs/dbraw/zinc/67/40/47/1090674047.db2.gz ORFMTIGTLDRFNS-MRXNPFEDSA-N 2 0 341.499 2.454 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001438209436 1090696599 /nfs/dbraw/zinc/69/65/99/1090696599.db2.gz GHWYZMLARNYSNJ-YLJYHZDGSA-N 2 0 343.515 2.324 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Cl ZINC001438327384 1090801802 /nfs/dbraw/zinc/80/18/02/1090801802.db2.gz IYVSHAUBHWSSFP-AWEZNQCLSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+][C@@H]1CCc2ccccc21 ZINC001438519332 1091011925 /nfs/dbraw/zinc/01/19/25/1091011925.db2.gz VWILCOCITIOTHN-MAUKXSAKSA-N 2 0 329.488 2.358 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001438549775 1091042413 /nfs/dbraw/zinc/04/24/13/1091042413.db2.gz JUQCZLPIKCZVJT-LPHOPBHVSA-N 2 0 346.519 2.352 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)ns2)CCCC1)[NH+](C)C ZINC001438594837 1091083814 /nfs/dbraw/zinc/08/38/14/1091083814.db2.gz BPKFPFDNCWBRCA-OAHLLOKOSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001438703873 1091212537 /nfs/dbraw/zinc/21/25/37/1091212537.db2.gz AZCMETBFPOVKLB-ZDUSSCGKSA-N 2 0 327.419 2.243 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)cc1F ZINC001438718543 1091242461 /nfs/dbraw/zinc/24/24/61/1091242461.db2.gz YOEMOVTVBLVDAQ-AWEZNQCLSA-N 2 0 339.455 2.111 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445546285 1091315952 /nfs/dbraw/zinc/31/59/52/1091315952.db2.gz JDCQVDVSXIIYKQ-YWPYICTPSA-N 2 0 341.858 2.414 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)CCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001438927202 1091600980 /nfs/dbraw/zinc/60/09/80/1091600980.db2.gz JMYUKBNFWYDIFL-UHFFFAOYSA-N 2 0 343.515 2.414 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445762269 1091611118 /nfs/dbraw/zinc/61/11/18/1091611118.db2.gz XIVHBZLOVWUPIR-KXBFYZLASA-N 2 0 347.478 2.412 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439124582 1091768301 /nfs/dbraw/zinc/76/83/01/1091768301.db2.gz BKCMZYJCMAQVPS-IUODEOHRSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001439157414 1091801280 /nfs/dbraw/zinc/80/12/80/1091801280.db2.gz CCPNUZNIZAYPRZ-SJORKVTESA-N 2 0 332.492 2.249 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001439164788 1091811054 /nfs/dbraw/zinc/81/10/54/1091811054.db2.gz VXZJXQKOKJIBSU-QGZVFWFLSA-N 2 0 347.503 2.009 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001445954472 1091899347 /nfs/dbraw/zinc/89/93/47/1091899347.db2.gz CFSNYZSGFPYDQD-QZTJIDSGSA-N 2 0 348.466 2.080 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC001439284452 1091945501 /nfs/dbraw/zinc/94/55/01/1091945501.db2.gz JIJIRLRCLBGYKS-MAUKXSAKSA-N 2 0 349.523 2.241 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001445990426 1091961957 /nfs/dbraw/zinc/96/19/57/1091961957.db2.gz SEYKNEKPXHWEIT-QGZVFWFLSA-N 2 0 337.414 2.045 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC001446023559 1092013652 /nfs/dbraw/zinc/01/36/52/1092013652.db2.gz YVUMQTZFIXNVCE-IEBWSBKVSA-N 2 0 346.519 2.367 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cnccc1C ZINC001439413349 1092180573 /nfs/dbraw/zinc/18/05/73/1092180573.db2.gz YLWAVFVGLBDYGZ-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001446167049 1092220793 /nfs/dbraw/zinc/22/07/93/1092220793.db2.gz KIPHHURVVRBPSV-SFHVURJKSA-N 2 0 345.462 2.214 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001446180456 1092249181 /nfs/dbraw/zinc/24/91/81/1092249181.db2.gz FBGFVJKRACGBQQ-QGZVFWFLSA-N 2 0 330.476 2.003 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1F ZINC001439484051 1092291996 /nfs/dbraw/zinc/29/19/96/1092291996.db2.gz KWZVZFUTNCKNBD-QFBILLFUSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001439492225 1092317360 /nfs/dbraw/zinc/31/73/60/1092317360.db2.gz ISZXBCRRFZCQDJ-GOSISDBHSA-N 2 0 333.451 2.214 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001439536419 1092396320 /nfs/dbraw/zinc/39/63/20/1092396320.db2.gz IODPGJBMWBIMRN-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H]([C@@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300982 1092469509 /nfs/dbraw/zinc/46/95/09/1092469509.db2.gz ZUWSUPOPHBDSFU-WMZOPIPTSA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001439806262 1092765296 /nfs/dbraw/zinc/76/52/96/1092765296.db2.gz XMOUKKYHIGSZHY-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439829697 1092822007 /nfs/dbraw/zinc/82/20/07/1092822007.db2.gz NSELLKQHEJUFLE-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001439964890 1093076735 /nfs/dbraw/zinc/07/67/35/1093076735.db2.gz QEFWJGWDFHIGIT-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CC(C)C)CCC1(F)F ZINC001439978324 1093097950 /nfs/dbraw/zinc/09/79/50/1093097950.db2.gz NEPFLYYWZSJZHG-HNNXBMFYSA-N 2 0 333.467 2.448 10 0 EEAERP C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440116687 1093177806 /nfs/dbraw/zinc/17/78/06/1093177806.db2.gz GMSOZOHBARBGSE-HKUYNNGSSA-N 2 0 329.488 2.152 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccc2)CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001440300940 1093426346 /nfs/dbraw/zinc/42/63/46/1093426346.db2.gz NNTLWWFQCJGRCU-SFHVURJKSA-N 2 0 327.472 2.157 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CCCC3CCC3)C[C@H]21)C1CCC1 ZINC001448427161 1093439382 /nfs/dbraw/zinc/43/93/82/1093439382.db2.gz HDOCQEAOXNOJDM-LDLYASANSA-N 2 0 333.520 2.345 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001440313422 1093445164 /nfs/dbraw/zinc/44/51/64/1093445164.db2.gz LCHNTHJCJLGLOJ-VKNSLKGXSA-N 2 0 348.466 2.078 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440357388 1093513437 /nfs/dbraw/zinc/51/34/37/1093513437.db2.gz SEUCSYFCIHLYQS-CHWSQXEVSA-N 2 0 335.414 2.440 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1c(F)cccc1F ZINC001448510071 1093535952 /nfs/dbraw/zinc/53/59/52/1093535952.db2.gz LRAWKLNWDWEJDO-MGPQQGTHSA-N 2 0 339.430 2.462 10 0 EEAERP Cc1cc(C[NH2+][C@H](CCNC(=O)C23CCC[NH+]2CCC3)C(C)C)on1 ZINC001448560060 1093606789 /nfs/dbraw/zinc/60/67/89/1093606789.db2.gz UPYXQFIEMXXJBW-QGZVFWFLSA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]C/C=C/Cl ZINC001448561903 1093610001 /nfs/dbraw/zinc/61/00/01/1093610001.db2.gz OWIWZSOKAYMEMO-GVSOGPONSA-N 2 0 327.900 2.345 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001448613782 1093681108 /nfs/dbraw/zinc/68/11/08/1093681108.db2.gz DKSMSDOMQSSSKY-HOCLYGCPSA-N 2 0 343.462 2.344 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cccnc1 ZINC001440462501 1093683251 /nfs/dbraw/zinc/68/32/51/1093683251.db2.gz NBBFQZWSGDRGBK-GBESFXJTSA-N 2 0 344.503 2.425 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001440489535 1093724553 /nfs/dbraw/zinc/72/45/53/1093724553.db2.gz MFLAYKKYXBOIMC-NFAWXSAZSA-N 2 0 340.418 2.357 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)C[C@@H]1CCCOC1 ZINC001440521881 1093775445 /nfs/dbraw/zinc/77/54/45/1093775445.db2.gz XFUPDVQIVYIVQQ-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001448716347 1093788915 /nfs/dbraw/zinc/78/89/15/1093788915.db2.gz JSVULMDJUAWDKT-QWHCGFSZSA-N 2 0 327.419 2.414 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC1CC1 ZINC001448719759 1093791397 /nfs/dbraw/zinc/79/13/97/1093791397.db2.gz GWIJNSMVVNGHKC-LZQZEXGQSA-N 2 0 329.488 2.178 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2Cc3ccccc3C[NH+]2CC2CC2)C1 ZINC001440533695 1093795458 /nfs/dbraw/zinc/79/54/58/1093795458.db2.gz GIDRTYIKZLUJDX-YLJYHZDGSA-N 2 0 341.499 2.281 10 0 EEAERP CCC1([NH2+]C[C@H]2CCO[C@H](C)C2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440533799 1093796580 /nfs/dbraw/zinc/79/65/80/1093796580.db2.gz USEBIGLFCTVUBX-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001440538800 1093804505 /nfs/dbraw/zinc/80/45/05/1093804505.db2.gz OQXSUIOZDCLFLT-MAUKXSAKSA-N 2 0 335.467 2.229 10 0 EEAERP Cc1conc1C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001440876584 1094135465 /nfs/dbraw/zinc/13/54/65/1094135465.db2.gz NODXRYAELMBSRN-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCOC1)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001449260346 1094208953 /nfs/dbraw/zinc/20/89/53/1094208953.db2.gz KLSHVOPLDUSICW-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001440977042 1094237048 /nfs/dbraw/zinc/23/70/48/1094237048.db2.gz ORZYKLHFTNLLKQ-KSSFIOAISA-N 2 0 330.476 2.445 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]Cc2cncs2)C(C)(C)C)CC1 ZINC001449326381 1094278909 /nfs/dbraw/zinc/27/89/09/1094278909.db2.gz VQDGYSWAMLMESU-HNNXBMFYSA-N 2 0 338.521 2.105 10 0 EEAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCCF)CC1 ZINC001449364106 1094329870 /nfs/dbraw/zinc/32/98/70/1094329870.db2.gz DVTKAKDZFRXZFI-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2Cc2cccnc2)C1 ZINC001441124339 1094447255 /nfs/dbraw/zinc/44/72/55/1094447255.db2.gz BKZYJMWZNIBTOM-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001441167256 1094517421 /nfs/dbraw/zinc/51/74/21/1094517421.db2.gz NVFONNHOYGLMMZ-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001441194252 1094552607 /nfs/dbraw/zinc/55/26/07/1094552607.db2.gz IRXLUNITSAQSMY-MRXNPFEDSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441203885 1094565537 /nfs/dbraw/zinc/56/55/37/1094565537.db2.gz JMJZNGBHKBGFBR-IRXDYDNUSA-N 2 0 329.488 2.273 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCc2cccs2)C1 ZINC001441213280 1094577846 /nfs/dbraw/zinc/57/78/46/1094577846.db2.gz STDMDVCLKGHJCO-GJZGRUSLSA-N 2 0 335.517 2.069 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001441422815 1095012559 /nfs/dbraw/zinc/01/25/59/1095012559.db2.gz YYLKXPBRKOMDKL-KBAYOESNSA-N 2 0 345.487 2.095 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1N(C)C ZINC001441514860 1095208703 /nfs/dbraw/zinc/20/87/03/1095208703.db2.gz VPSNSYHBTHPZSG-LZLYRXPVSA-N 2 0 346.519 2.029 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001441848085 1095929878 /nfs/dbraw/zinc/92/98/78/1095929878.db2.gz WYFHSAOXTHYSQC-DLBZAZTESA-N 2 0 343.515 2.370 10 0 EEAERP O=C(NCC[C@@H](Cc1ccccc1)[NH2+]CCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001441893610 1096033830 /nfs/dbraw/zinc/03/38/30/1096033830.db2.gz HKAKVYUWGKSEFE-RBUKOAKNSA-N 2 0 347.478 2.005 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001442006634 1096209589 /nfs/dbraw/zinc/20/95/89/1096209589.db2.gz HORBUMNWOYCVIW-FUHWJXTLSA-N 2 0 341.499 2.297 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001442072694 1096286318 /nfs/dbraw/zinc/28/63/18/1096286318.db2.gz ZDVBLDRSLYZKAY-VQIMIIECSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001442159330 1096416406 /nfs/dbraw/zinc/41/64/06/1096416406.db2.gz YIURLWWTYYUNSX-CQSZACIVSA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001442196179 1096474032 /nfs/dbraw/zinc/47/40/32/1096474032.db2.gz QAAYAHFMCUYUDD-KGLIPLIRSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001442241518 1096541924 /nfs/dbraw/zinc/54/19/24/1096541924.db2.gz IDWSLOKRRRWMFI-HLIUYOAVSA-N 2 0 345.422 2.208 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)n1 ZINC001442419032 1096742296 /nfs/dbraw/zinc/74/22/96/1096742296.db2.gz FHTZPXFAUPEKIH-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP CCN(CC=C(Cl)Cl)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001442705191 1097075523 /nfs/dbraw/zinc/07/55/23/1097075523.db2.gz NOQKZWXQSYXYFN-STQMWFEESA-N 2 0 336.307 2.474 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001443188489 1097632811 /nfs/dbraw/zinc/63/28/11/1097632811.db2.gz ORCCKLWPNIJCDD-ZIAGYGMSSA-N 2 0 335.414 2.203 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C/C=C/Cl)C1 ZINC001443348941 1097871734 /nfs/dbraw/zinc/87/17/34/1097871734.db2.gz ZOSICDNOULALPU-HKFHSAMXSA-N 2 0 327.900 2.394 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443352582 1097877667 /nfs/dbraw/zinc/87/76/67/1097877667.db2.gz WQDIOCFLUIRXCC-QWHCGFSZSA-N 2 0 334.291 2.037 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001443609790 1098104532 /nfs/dbraw/zinc/10/45/32/1098104532.db2.gz CMYSBDUJNKDGOX-BEFAXECRSA-N 2 0 327.472 2.064 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1C ZINC001443918117 1098439045 /nfs/dbraw/zinc/43/90/45/1098439045.db2.gz PSGWCFQIUSCVGR-RBUKOAKNSA-N 2 0 347.478 2.460 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]Cc1ccon1 ZINC001479525085 1098591877 /nfs/dbraw/zinc/59/18/77/1098591877.db2.gz LIGOAZCITRPHKL-DOTOQJQBSA-N 2 0 336.480 2.122 10 0 EEAERP Cc1nocc1C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001444072622 1098596524 /nfs/dbraw/zinc/59/65/24/1098596524.db2.gz OBHXYBBMZZEFRZ-KRWDZBQOSA-N 2 0 348.491 2.376 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CC(C)(C)CO2)CCCC1 ZINC001444084938 1098615277 /nfs/dbraw/zinc/61/52/77/1098615277.db2.gz CSLBPGBJYYLAFD-INIZCTEOSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001479581466 1098618094 /nfs/dbraw/zinc/61/80/94/1098618094.db2.gz XHAPGRHOLGAVKA-WYQLHOJNSA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCc1ccc(C)cc1 ZINC001479641181 1098670253 /nfs/dbraw/zinc/67/02/53/1098670253.db2.gz PHCQZUQIMVUUQD-RBUKOAKNSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001479693069 1098759588 /nfs/dbraw/zinc/75/95/88/1098759588.db2.gz UIYYKJHGQWRZQO-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP CCn1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001444384311 1098970813 /nfs/dbraw/zinc/97/08/13/1098970813.db2.gz WNOVGRMTSBJPCR-IRXDYDNUSA-N 2 0 349.523 2.009 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCc1ccccc1 ZINC001479782481 1098971122 /nfs/dbraw/zinc/97/11/22/1098971122.db2.gz ZLQUQEADCMXCRU-UHFFFAOYSA-N 2 0 329.488 2.296 10 0 EEAERP CC(C)n1ccc(CN2CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC2)n1 ZINC001479896052 1099276591 /nfs/dbraw/zinc/27/65/91/1099276591.db2.gz HVBALEBJLMLEAD-UHFFFAOYSA-N 2 0 349.523 2.227 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001444635549 1099462182 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329.488 2.111 10 0 EEAERP C[C@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498450280 1107553627 /nfs/dbraw/zinc/55/36/27/1107553627.db2.gz LUOKWKIZVASLIL-WBVHZDCISA-N 2 0 335.467 2.147 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC001493158812 1107610642 /nfs/dbraw/zinc/61/06/42/1107610642.db2.gz JJRRNABLKPFZJS-OAHLLOKOSA-N 2 0 337.414 2.141 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001498505303 1107649024 /nfs/dbraw/zinc/64/90/24/1107649024.db2.gz RHEAPWYNTKGSPN-ZIAGYGMSSA-N 2 0 335.414 2.299 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001498613285 1107809294 /nfs/dbraw/zinc/80/92/94/1107809294.db2.gz PVLLVZBVRNCMOK-INIZCTEOSA-N 2 0 327.419 2.243 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCc1ccsc1)C1CC1 ZINC001498735486 1107996292 /nfs/dbraw/zinc/99/62/92/1107996292.db2.gz FUNFXROEECHRQH-IAGOWNOFSA-N 2 0 335.517 2.259 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001493589853 1108365503 /nfs/dbraw/zinc/36/55/03/1108365503.db2.gz HURFMYBVZDFBIL-FGTMMUONSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cc3ccccc3o2)C1 ZINC001493695996 1108522983 /nfs/dbraw/zinc/52/29/83/1108522983.db2.gz YIFUYRDRMQUDPC-HNNXBMFYSA-N 2 0 329.444 2.323 10 0 EEAERP C[C@@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001493827835 1108710138 /nfs/dbraw/zinc/71/01/38/1108710138.db2.gz QFZAEUNMPQSYIQ-HAZACJEHSA-N 2 0 327.900 2.296 10 0 EEAERP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(N)cc1F ZINC001464878310 1110406588 /nfs/dbraw/zinc/40/65/88/1110406588.db2.gz BCGBEAUDLUVYMO-UHFFFAOYSA-N 2 0 338.471 2.062 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001466254443 1110432325 /nfs/dbraw/zinc/43/23/25/1110432325.db2.gz UEFIPPNEJUMDBA-RDJZCZTQSA-N 2 0 348.466 2.157 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001479346783 1110684154 /nfs/dbraw/zinc/68/41/54/1110684154.db2.gz IJHIDKOXWPJSSS-GASCZTMLSA-N 2 0 336.505 2.004 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001479348149 1110684494 /nfs/dbraw/zinc/68/44/94/1110684494.db2.gz NQXBHNNASPNCEV-MAEOIBBWSA-N 2 0 342.487 2.493 10 0 EEAERP O=C(NCC1([NH2+]CCCc2ccsc2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001499229131 1112189350 /nfs/dbraw/zinc/18/93/50/1112189350.db2.gz QLMMKOSHQPPGQZ-KRWDZBQOSA-N 2 0 347.528 2.261 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001499908154 1112536390 /nfs/dbraw/zinc/53/63/90/1112536390.db2.gz BYQZUHKYCKKTTP-BJYXUANLSA-N 2 0 327.900 2.440 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+]([C@@H](C)COC)C2)C1 ZINC001500160757 1112647894 /nfs/dbraw/zinc/64/78/94/1112647894.db2.gz CZLPAGYCRSIQOG-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001500498891 1112890161 /nfs/dbraw/zinc/89/01/61/1112890161.db2.gz POFSLVXPEONITN-WMZOPIPTSA-N 2 0 327.488 2.295 10 0 EEAERP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001500552361 1112942271 /nfs/dbraw/zinc/94/22/71/1112942271.db2.gz CBPUEMYKFMTDGJ-IBGZPJMESA-N 2 0 339.524 2.117 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001501122987 1113206987 /nfs/dbraw/zinc/20/69/87/1113206987.db2.gz TYZKUCMSKPSNDH-HTEAGGNKSA-N 2 0 339.911 2.299 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cncc(C)c2)C1 ZINC001501146059 1113214778 /nfs/dbraw/zinc/21/47/78/1113214778.db2.gz IQHQSOMZSTUSKV-HKUYNNGSSA-N 2 0 346.519 2.306 10 0 EEAERP CC[C@H](C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001501600717 1113395822 /nfs/dbraw/zinc/39/58/22/1113395822.db2.gz OHNRPMYSGNHUMU-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001501682127 1113432525 /nfs/dbraw/zinc/43/25/25/1113432525.db2.gz YIZHRWGUNYSGQG-JKSUJKDBSA-N 2 0 333.476 2.084 10 0 EEAERP CC(C)[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]CCO)cc1)[NH+]1CCCC1 ZINC001501681811 1113432531 /nfs/dbraw/zinc/43/25/31/1113432531.db2.gz RCJHAAYFTZQQSB-LPHOPBHVSA-N 2 0 347.503 2.066 10 0 EEAERP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001501682024 1113432613 /nfs/dbraw/zinc/43/26/13/1113432613.db2.gz WEXKHISEWBAEGK-IRXDYDNUSA-N 2 0 347.503 2.330 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccns2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001502008920 1113556628 /nfs/dbraw/zinc/55/66/28/1113556628.db2.gz SOXDWUDHOCPKSH-HOCLYGCPSA-N 2 0 348.516 2.289 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001502083088 1113581433 /nfs/dbraw/zinc/58/14/33/1113581433.db2.gz RWTGJJVRRUENCC-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccccn2)CC1 ZINC001505725781 1114153537 /nfs/dbraw/zinc/15/35/37/1114153537.db2.gz XMHDXBOMCWBSLS-HZPDHXFCSA-N 2 0 332.492 2.185 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC[C@H]1CCCO1)C(=O)C1([NH+](C)C)CCC1 ZINC001505816399 1114210924 /nfs/dbraw/zinc/21/09/24/1114210924.db2.gz PAQWJJDDFBPISQ-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001506501074 1114653809 /nfs/dbraw/zinc/65/38/09/1114653809.db2.gz SNSHNYWJRKDVCK-SFHVURJKSA-N 2 0 344.503 2.393 10 0 EEAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)CC)[C@@H]2C1 ZINC001506816734 1114892920 /nfs/dbraw/zinc/89/29/20/1114892920.db2.gz ATUJMNCUOVZSQA-AKHDSKFASA-N 2 0 329.488 2.383 10 0 EEAERP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001506945389 1114994362 /nfs/dbraw/zinc/99/43/62/1114994362.db2.gz FLQXWUOQUALELK-KGLIPLIRSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001507074512 1115094242 /nfs/dbraw/zinc/09/42/42/1115094242.db2.gz VBIQMMZVIVRYAL-CQSZACIVSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001507128388 1115123317 /nfs/dbraw/zinc/12/33/17/1115123317.db2.gz VDEQBXZQPZFLOQ-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001507150537 1115135165 /nfs/dbraw/zinc/13/51/65/1115135165.db2.gz YLSIUOOCUKHDLU-QWHCGFSZSA-N 2 0 348.318 2.103 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001507342093 1115204857 /nfs/dbraw/zinc/20/48/57/1115204857.db2.gz UNGWOIYORYABMU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3coc(C)n3)[C@H]2C1 ZINC001507361465 1115221797 /nfs/dbraw/zinc/22/17/97/1115221797.db2.gz BNKDEDACNHDGJB-SZMVWBNQSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507410921 1115256163 /nfs/dbraw/zinc/25/61/63/1115256163.db2.gz PAIZLNLXHRAITD-MOPGFXCFSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001508026349 1115392090 /nfs/dbraw/zinc/39/20/90/1115392090.db2.gz KGCJGHKYUQQHDH-CQSZACIVSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2F)CC[N@@H+]1C ZINC001508240964 1115458141 /nfs/dbraw/zinc/45/81/41/1115458141.db2.gz OILFUMYHSAHMQU-ZFWWWQNUSA-N 2 0 339.430 2.231 10 0 EEAERP CC(C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[NH+]1CCCC1 ZINC001509019696 1115715536 /nfs/dbraw/zinc/71/55/36/1115715536.db2.gz HFWIZPKKCQBJMP-QGZVFWFLSA-N 2 0 346.523 2.172 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914878 1124176630 /nfs/dbraw/zinc/17/66/30/1124176630.db2.gz HEIHTEGYKHKKLX-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001568393765 1124463628 /nfs/dbraw/zinc/46/36/28/1124463628.db2.gz RXPFEXKVHIVOLF-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001568531144 1124592655 /nfs/dbraw/zinc/59/26/55/1124592655.db2.gz NJNYIWLUGRGOAQ-CVEARBPZSA-N 2 0 325.472 2.097 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001568674706 1124687750 /nfs/dbraw/zinc/68/77/50/1124687750.db2.gz SYLSIORHSPTRJH-CQSZACIVSA-N 2 0 336.480 2.124 10 0 EEAERP CCc1nocc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001568870316 1124896909 /nfs/dbraw/zinc/89/69/09/1124896909.db2.gz BCCDKNJPLJEESN-CJEFGCBOSA-N 2 0 346.475 2.016 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F)C12CC[NH+](CC1)C2 ZINC001568949623 1124983535 /nfs/dbraw/zinc/98/35/35/1124983535.db2.gz FMFSZHLMTGSVPZ-QFRLHKFZSA-N 2 0 343.446 2.171 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]C[C@@H]2CC[C@@H](C)O2)ccc2c[nH+]cn21 ZINC001569217505 1125172579 /nfs/dbraw/zinc/17/25/79/1125172579.db2.gz OGTMNKPOYBIBCI-PBHICJAKSA-N 2 0 344.459 2.262 10 0 EEAERP CC[NH2+]Cc1cc(Br)cnc1N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053249140 214172239 /nfs/dbraw/zinc/17/22/39/214172239.db2.gz XMHAPRNEEOMYEC-CQSZACIVSA-N 2 0 341.297 2.484 10 0 EEAERP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)C2)C1 ZINC000415975566 529810684 /nfs/dbraw/zinc/81/06/84/529810684.db2.gz QAOZKUGVIYFHRP-SFHVURJKSA-N 2 0 332.423 2.031 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000092104750 539381200 /nfs/dbraw/zinc/38/12/00/539381200.db2.gz IUKLLIYAODCSPF-MJGOQNOKSA-N 2 0 345.487 2.118 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCCC[C@H]1CCO)c1ccccc1 ZINC000342062982 539830883 /nfs/dbraw/zinc/83/08/83/539830883.db2.gz NNOXMNXQMRTHHY-RBUKOAKNSA-N 2 0 347.503 2.033 10 0 EEAERP COc1cc(C[NH2+]CC2CC[NH+](CCO)CC2)cc(Cl)c1OC ZINC000069368889 215390038 /nfs/dbraw/zinc/39/00/38/215390038.db2.gz DFULSMWTPONBPK-UHFFFAOYSA-N 2 0 342.867 2.151 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000423371705 282914025 /nfs/dbraw/zinc/91/40/25/282914025.db2.gz ARLPXKJRSPODIL-JONQDZQNSA-N 2 0 349.441 2.007 10 0 EEAERP C[C@H]([NH2+]CCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000037759631 213165495 /nfs/dbraw/zinc/16/54/95/213165495.db2.gz OZJCXGYHRFTTAP-ZDUSSCGKSA-N 2 0 326.282 2.347 10 0 EEAERP c1cc(C[NH+]2CCSCC2)cc(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422958453 240308449 /nfs/dbraw/zinc/30/84/49/240308449.db2.gz XWJXCROBRRCYRU-OALUTQOASA-N 2 0 347.528 2.414 10 0 EEAERP CN([C@H](C[NH3+])c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000022161589 212279960 /nfs/dbraw/zinc/27/99/60/212279960.db2.gz FHBSPYBYDMRBCJ-OAHLLOKOSA-N 2 0 326.282 2.475 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000171906443 227356617 /nfs/dbraw/zinc/35/66/17/227356617.db2.gz QIQPHFLLSOEYEI-SJORKVTESA-N 2 0 346.475 2.215 10 0 EEAERP CN(C)C(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000092078460 218115659 /nfs/dbraw/zinc/11/56/59/218115659.db2.gz OEEAQNQKQSINCK-SFHVURJKSA-N 2 0 329.488 2.276 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)OCc2ccccc2)CC1 ZINC000181451666 533662499 /nfs/dbraw/zinc/66/24/99/533662499.db2.gz WPKRUEBUOVMUAX-QGZVFWFLSA-N 2 0 348.487 2.145 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)CC(C)C ZINC000173687899 152188372 /nfs/dbraw/zinc/18/83/72/152188372.db2.gz FEBRRDBWRGAGHN-MSOLQXFVSA-N 2 0 336.524 2.399 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121806459 292268418 /nfs/dbraw/zinc/26/84/18/292268418.db2.gz AQCNQZMYFQABRR-JCYILVPMSA-N 2 0 326.529 2.382 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194661028 160197564 /nfs/dbraw/zinc/19/75/64/160197564.db2.gz ARTDBWWULVEWQZ-CALCHBBNSA-N 2 0 336.524 2.234 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000245627684 160245465 /nfs/dbraw/zinc/24/54/65/160245465.db2.gz GYOJMLQHBHCJBF-RBUKOAKNSA-N 2 0 342.487 2.358 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000246583104 160285492 /nfs/dbraw/zinc/28/54/92/160285492.db2.gz ZVOODHPGVGWRSO-ROUUACIJSA-N 2 0 334.508 2.129 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246587468 160285915 /nfs/dbraw/zinc/28/59/15/160285915.db2.gz SOORBCXTIKQSRI-RYRKJORJSA-N 2 0 334.508 2.129 10 0 EEAERP Cc1ccc(CN(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108473 160310203 /nfs/dbraw/zinc/31/02/03/160310203.db2.gz YFZVDGDJYHDHHI-YOEHRIQHSA-N 2 0 333.476 2.494 10 0 EEAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000247558194 160328683 /nfs/dbraw/zinc/32/86/83/160328683.db2.gz ZVSIVRHTNOIUTN-LMMKCTJWSA-N 2 0 344.503 2.385 10 0 EEAERP O=C(NCCNc1cc[nH+]cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342420239 161064176 /nfs/dbraw/zinc/06/41/76/161064176.db2.gz BGKDXMCPIKYDIP-LJQANCHMSA-N 2 0 338.455 2.086 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCN2Cc2ccccn2)CC1 ZINC000369916325 166356747 /nfs/dbraw/zinc/35/67/47/166356747.db2.gz QPFRIPFSEUNLKE-LJQANCHMSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000369945718 166362920 /nfs/dbraw/zinc/36/29/20/166362920.db2.gz ZQPODHCTPHTFJM-FUHWJXTLSA-N 2 0 330.476 2.037 10 0 EEAERP CC(C)(C[NH+]1CCCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416241958 277298514 /nfs/dbraw/zinc/29/85/14/277298514.db2.gz DXMHBGIZOUUPBU-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000451235889 277344626 /nfs/dbraw/zinc/34/46/26/277344626.db2.gz LROOKHPTWPGOMV-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453096519 278258384 /nfs/dbraw/zinc/25/83/84/278258384.db2.gz TVUUPUQZGVDKEK-KRWDZBQOSA-N 2 0 341.503 2.375 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247912976 279312173 /nfs/dbraw/zinc/31/21/73/279312173.db2.gz AQDXTLIXECERDV-SQNIBIBYSA-N 2 0 330.476 2.215 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000358537773 279381522 /nfs/dbraw/zinc/38/15/22/279381522.db2.gz QQFZHGBDHZLWHP-FUHWJXTLSA-N 2 0 334.508 2.187 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000246375206 281196621 /nfs/dbraw/zinc/19/66/21/281196621.db2.gz QLWHLWDPGBVWIJ-ROUUACIJSA-N 2 0 336.524 2.375 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000296810042 294073092 /nfs/dbraw/zinc/07/30/92/294073092.db2.gz FJQTZEJPXGKYEL-INIZCTEOSA-N 2 0 333.476 2.183 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333390802 312139754 /nfs/dbraw/zinc/13/97/54/312139754.db2.gz OUEFVSWBHBRSPG-CRAIPNDOSA-N 2 0 345.491 2.048 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000333415527 312144185 /nfs/dbraw/zinc/14/41/85/312144185.db2.gz RVFBSSSXRZHMOA-ADKAHSJRSA-N 2 0 336.524 2.471 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333916698 312213811 /nfs/dbraw/zinc/21/38/11/312213811.db2.gz NKOJBBLKNYHBFZ-DLBZAZTESA-N 2 0 336.524 2.472 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397559026 312446679 /nfs/dbraw/zinc/44/66/79/312446679.db2.gz PPYLICYWMGYPGL-RTBURBONSA-N 3 0 331.504 2.121 10 0 EEAERP CCc1cccc(F)c1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414480828 313032265 /nfs/dbraw/zinc/03/22/65/313032265.db2.gz JYFUXPLJLGQRPE-UHFFFAOYSA-N 2 0 349.494 2.274 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000414522947 313036857 /nfs/dbraw/zinc/03/68/57/313036857.db2.gz HMFJTYGQOUQMSK-PKOBYXMFSA-N 2 0 331.504 2.421 10 0 EEAERP C[C@@H](NC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)[C@H](C)[NH3+] ZINC000414732129 313071518 /nfs/dbraw/zinc/07/15/18/313071518.db2.gz FZYICRMLIFIZDO-GRYCIOLGSA-N 2 0 325.482 2.232 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccccc1 ZINC000416871872 313343254 /nfs/dbraw/zinc/34/32/54/313343254.db2.gz KWKHEGYJPNGFRF-KDURUIRLSA-N 2 0 344.503 2.150 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000416893936 313351984 /nfs/dbraw/zinc/35/19/84/313351984.db2.gz YJOLSPABQGPCFU-MOPGFXCFSA-N 2 0 344.503 2.422 10 0 EEAERP [NH3+][C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000416899110 313354311 /nfs/dbraw/zinc/35/43/11/313354311.db2.gz DUVVGJDJPXDNFS-SFHVURJKSA-N 2 0 330.476 2.209 10 0 EEAERP C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000416974052 313378878 /nfs/dbraw/zinc/37/88/78/313378878.db2.gz WCPIAIOHMCGDGW-OWCLPIDISA-N 2 0 332.492 2.453 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC000417656947 313557465 /nfs/dbraw/zinc/55/74/65/313557465.db2.gz GXBCABNUAQTXJB-LJQANCHMSA-N 2 0 348.466 2.172 10 0 EEAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418550580 313843805 /nfs/dbraw/zinc/84/38/05/313843805.db2.gz HWMXOAWGCLIVTO-UHFFFAOYSA-N 2 0 342.487 2.307 10 0 EEAERP C[C@@H](CCNC(=O)N(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000543671536 318165518 /nfs/dbraw/zinc/16/55/18/318165518.db2.gz NGSVLSHIQNILSU-KRWDZBQOSA-N 2 0 334.508 2.490 10 0 EEAERP CN(CCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000543714903 318167854 /nfs/dbraw/zinc/16/78/54/318167854.db2.gz MYQKABMTABHWNB-QGZVFWFLSA-N 2 0 330.476 2.098 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000564098418 319067346 /nfs/dbraw/zinc/06/73/46/319067346.db2.gz OMXQIVAYZSFZET-JKSUJKDBSA-N 2 0 335.517 2.418 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000565550622 319193699 /nfs/dbraw/zinc/19/36/99/319193699.db2.gz RMDZPXMHCXZVLB-QZTJIDSGSA-N 2 0 329.488 2.309 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000567337120 319370383 /nfs/dbraw/zinc/37/03/83/319370383.db2.gz VTPFKGGMFCDGDD-WMZOPIPTSA-N 2 0 344.503 2.338 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000580539094 324083081 /nfs/dbraw/zinc/08/30/81/324083081.db2.gz IBDTWNNDHCOMJG-APWZRJJASA-N 2 0 344.503 2.257 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000583884980 324754185 /nfs/dbraw/zinc/75/41/85/324754185.db2.gz VXPSNXBMBNPIEB-LJQANCHMSA-N 2 0 346.519 2.190 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579211081 468325954 /nfs/dbraw/zinc/32/59/54/468325954.db2.gz JRGALALPFABCFG-MJQMVNBJSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(N3CCCC3)nc2)CC1 ZINC000121106196 463079471 /nfs/dbraw/zinc/07/94/71/463079471.db2.gz VAEVKYNDQRKCBT-QGZVFWFLSA-N 2 0 346.519 2.206 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000097082157 463318173 /nfs/dbraw/zinc/31/81/73/463318173.db2.gz GMKIHDQVUOEMGF-OKZBNKHCSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000097106832 463326679 /nfs/dbraw/zinc/32/66/79/463326679.db2.gz NVQGOBCBQQEVPD-MRXNPFEDSA-N 2 0 333.476 2.231 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170835380 463718376 /nfs/dbraw/zinc/71/83/76/463718376.db2.gz AZUORVSRQMFUAK-RTBURBONSA-N 2 0 344.503 2.477 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)o1 ZINC000170836281 463718914 /nfs/dbraw/zinc/71/89/14/463718914.db2.gz LOLWJYBRYKALQX-HOTGVXAUSA-N 2 0 334.464 2.070 10 0 EEAERP CN(Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261929045 463902994 /nfs/dbraw/zinc/90/29/94/463902994.db2.gz CNDGJEMSVMAXFF-RDJZCZTQSA-N 3 0 334.533 2.429 10 0 EEAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000178750780 463962830 /nfs/dbraw/zinc/96/28/30/463962830.db2.gz CATBZDJHMOBTOB-OAHLLOKOSA-N 2 0 337.427 2.135 10 0 EEAERP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1 ZINC000245463017 464484608 /nfs/dbraw/zinc/48/46/08/464484608.db2.gz OIIJMWMZWYSAEN-OALUTQOASA-N 2 0 327.472 2.348 10 0 EEAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000189415636 464497767 /nfs/dbraw/zinc/49/77/67/464497767.db2.gz TWYXNAVQVLNPAG-INIZCTEOSA-N 2 0 337.483 2.035 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000246446182 464585689 /nfs/dbraw/zinc/58/56/89/464585689.db2.gz NWXHGTKFERHDPY-DLBZAZTESA-N 2 0 326.529 2.477 10 0 EEAERP CN1CC[N@H+](C)C[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272384252 464587778 /nfs/dbraw/zinc/58/77/78/464587778.db2.gz FTLBBOSXKROZDM-WOZUAGRISA-N 2 0 342.531 2.017 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246497290 464591693 /nfs/dbraw/zinc/59/16/93/464591693.db2.gz SGWUMFHKSJCQJX-SJLPKXTDSA-N 2 0 338.540 2.480 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246542133 464597296 /nfs/dbraw/zinc/59/72/96/464597296.db2.gz WMGCTERNLCXWKU-RCCFBDPRSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247185038 464656075 /nfs/dbraw/zinc/65/60/75/464656075.db2.gz LBMQUGGSHLVQQQ-IXDOHACOSA-N 2 0 336.524 2.375 10 0 EEAERP O[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000568974326 468414908 /nfs/dbraw/zinc/41/49/08/468414908.db2.gz CYUYIECARBZVTM-HFSMHLIXSA-N 2 0 338.451 2.436 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000176440097 464775118 /nfs/dbraw/zinc/77/51/18/464775118.db2.gz UATSLHDLDGHXOK-HNNXBMFYSA-N 2 0 338.521 2.306 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000249975611 464923831 /nfs/dbraw/zinc/92/38/31/464923831.db2.gz KXSDYMUYUMMPEH-HFTRVMKXSA-N 2 0 333.451 2.152 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000298818075 465514954 /nfs/dbraw/zinc/51/49/54/465514954.db2.gz UWGVRELLPYSHRZ-UHFFFAOYSA-N 2 0 347.503 2.371 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000371060092 465576324 /nfs/dbraw/zinc/57/63/24/465576324.db2.gz VIMLGRGHOSLHIO-UHFFFAOYSA-N 2 0 342.487 2.303 10 0 EEAERP C[NH+](C)CCC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000366384805 465695775 /nfs/dbraw/zinc/69/57/75/465695775.db2.gz VQPWUUWVOBDDCA-UHFFFAOYSA-N 2 0 336.524 2.377 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)C(C)C ZINC000340095020 465762863 /nfs/dbraw/zinc/76/28/63/465762863.db2.gz PGCDAYQUJPYCDV-QZTJIDSGSA-N 2 0 332.492 2.461 10 0 EEAERP COC(=O)c1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000597129892 468454062 /nfs/dbraw/zinc/45/40/62/468454062.db2.gz PZJXQWPCKWXRPC-UHFFFAOYSA-N 2 0 341.883 2.052 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnccc3C)cn2)CC1 ZINC000353932543 466265793 /nfs/dbraw/zinc/26/57/93/466265793.db2.gz MPNKSLXBGZEHFV-UHFFFAOYSA-N 2 0 325.460 2.217 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](C(=O)OC)C2)CC1 ZINC000597241061 468493089 /nfs/dbraw/zinc/49/30/89/468493089.db2.gz BRMHMCNNLQQPDH-IYARVYRRSA-N 2 0 345.487 2.260 10 0 EEAERP CN(C)c1ncccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860514 466684975 /nfs/dbraw/zinc/68/49/75/466684975.db2.gz LKCHIACHRGXEKA-PXNSSMCTSA-N 2 0 338.455 2.493 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423057614 466690137 /nfs/dbraw/zinc/69/01/37/466690137.db2.gz HNKGGUYPXYHJDK-QANKJYHBSA-N 2 0 337.895 2.040 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417159648 466793024 /nfs/dbraw/zinc/79/30/24/466793024.db2.gz CQCCABWNQVIGFZ-WFFDWFOESA-N 2 0 348.466 2.353 10 0 EEAERP C[C@H]1CCC[C@](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)([NH+](C)C)C1 ZINC000417210439 466803184 /nfs/dbraw/zinc/80/31/84/466803184.db2.gz DRKFGUFCINPZLC-BMFAXAFESA-N 2 0 336.524 2.138 10 0 EEAERP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000417662972 466902795 /nfs/dbraw/zinc/90/27/95/466902795.db2.gz UBGMTZXRVQUATA-OAHLLOKOSA-N 2 0 336.455 2.028 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000417825777 466946857 /nfs/dbraw/zinc/94/68/57/466946857.db2.gz NNMKXESXEFBHJE-LJQANCHMSA-N 2 0 348.466 2.043 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417874764 466965445 /nfs/dbraw/zinc/96/54/45/466965445.db2.gz NLOXQBNZSANNCE-BVBHFADKSA-N 2 0 342.487 2.043 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000365897163 466981483 /nfs/dbraw/zinc/98/14/83/466981483.db2.gz VORBTFDIPMCLHL-VKJFTORMSA-N 2 0 327.488 2.388 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417995642 467016323 /nfs/dbraw/zinc/01/63/23/467016323.db2.gz QMMUYBNYWYNTBY-DFGXFYAUSA-N 2 0 334.508 2.033 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418031509 467028806 /nfs/dbraw/zinc/02/88/06/467028806.db2.gz KSBCESOFUGMNHO-QRQLOZEOSA-N 2 0 346.519 2.440 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000424329986 467030588 /nfs/dbraw/zinc/03/05/88/467030588.db2.gz RGKYGNINAHIGJD-HOTGVXAUSA-N 2 0 333.476 2.146 10 0 EEAERP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000418589726 467132528 /nfs/dbraw/zinc/13/25/28/467132528.db2.gz JDOLNXHLKHAAEU-UHOSZYNNSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000377949326 467170197 /nfs/dbraw/zinc/17/01/97/467170197.db2.gz JAJVSSBWXQPUQJ-UHFFFAOYSA-N 2 0 344.503 2.407 10 0 EEAERP C[N@H+](C[C@H](O)CNC[C@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000379652942 467370091 /nfs/dbraw/zinc/37/00/91/467370091.db2.gz YMQKIPIUBTZQSZ-WOJBJXKFSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415006880 467466454 /nfs/dbraw/zinc/46/64/54/467466454.db2.gz CBAHEBSNJRZYQN-OUAUKWLOSA-N 2 0 328.254 2.492 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000453240776 467469676 /nfs/dbraw/zinc/46/96/76/467469676.db2.gz SKMRWRXCLMYGHJ-JWRYVHENSA-N 2 0 328.522 2.052 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277678 467476084 /nfs/dbraw/zinc/47/60/84/467476084.db2.gz YGPQXQIMWPUONW-MJGOQNOKSA-N 2 0 349.519 2.124 10 0 EEAERP CC(C)n1ccc(C[C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)n1 ZINC000415050615 467476845 /nfs/dbraw/zinc/47/68/45/467476845.db2.gz IVUUISGDDYQPTO-LRYGQEGESA-N 2 0 333.524 2.201 10 0 EEAERP CCO[C@H]1C[C@](CO)([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000436379489 467533060 /nfs/dbraw/zinc/53/30/60/467533060.db2.gz QKOYHKGJWMYQJM-PKOBYXMFSA-N 2 0 344.459 2.231 10 0 EEAERP O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000441441763 467572158 /nfs/dbraw/zinc/57/21/58/467572158.db2.gz AKRCJNNTXDWLDR-IBGZPJMESA-N 2 0 349.519 2.153 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000449234630 467625168 /nfs/dbraw/zinc/62/51/68/467625168.db2.gz QXBQZTCFRFMMHL-LAUBAEHRSA-N 2 0 346.515 2.459 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000518711425 468123673 /nfs/dbraw/zinc/12/36/73/468123673.db2.gz WRWWJLYOFKYXQG-KRWDZBQOSA-N 2 0 344.503 2.455 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000594494874 468609233 /nfs/dbraw/zinc/60/92/33/468609233.db2.gz JQGNBOSKZXRZIU-KXBFYZLASA-N 2 0 345.487 2.076 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)NCC1=CC[NH2+]CC1 ZINC000583430132 468696149 /nfs/dbraw/zinc/69/61/49/468696149.db2.gz PVIMTSZSFWMICD-UHFFFAOYSA-N 2 0 342.487 2.391 10 0 EEAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000594968723 468733225 /nfs/dbraw/zinc/73/32/25/468733225.db2.gz IYBHAGXMWOJDIZ-FHLIZLRMSA-N 2 0 331.460 2.081 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000595011429 468742532 /nfs/dbraw/zinc/74/25/32/468742532.db2.gz YJLOGJDWIVNOKH-HOTGVXAUSA-N 2 0 340.508 2.445 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593322226 468938016 /nfs/dbraw/zinc/93/80/16/468938016.db2.gz LVHFRZSKJINQDS-KURKYZTESA-N 2 0 332.444 2.334 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942783 469443399 /nfs/dbraw/zinc/44/33/99/469443399.db2.gz ACCWOGXDLMOJEL-UHFFFAOYSA-N 2 0 334.464 2.220 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000629392889 469530291 /nfs/dbraw/zinc/53/02/91/469530291.db2.gz VTTNERMBAPQQBS-OAHLLOKOSA-N 2 0 327.266 2.132 10 0 EEAERP [NH3+]CCOCC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000629549669 469575237 /nfs/dbraw/zinc/57/52/37/469575237.db2.gz KZDUEKYKYWLJPI-UHFFFAOYSA-N 2 0 336.480 2.347 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000629569018 469582584 /nfs/dbraw/zinc/58/25/84/469582584.db2.gz NRPKRESABHFINF-GJZGRUSLSA-N 2 0 347.459 2.166 10 0 EEAERP CCc1ccc(CN2CCN(C(=O)NCc3nccn3C)CC2)s1 ZINC000606510462 469613927 /nfs/dbraw/zinc/61/39/27/469613927.db2.gz XOMYIZDTHRUCHE-UHFFFAOYSA-N 2 0 347.488 2.071 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617556014 469726081 /nfs/dbraw/zinc/72/60/81/469726081.db2.gz HXIKDBWMBSKPMV-RBUKOAKNSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[NH2+]1 ZINC000626934703 469760926 /nfs/dbraw/zinc/76/09/26/469760926.db2.gz LTDOXEQTFLBSPB-NJAFHUGGSA-N 2 0 330.476 2.263 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000623903691 469792685 /nfs/dbraw/zinc/79/26/85/469792685.db2.gz NBIXLKGKPPLMQM-WBVHZDCISA-N 2 0 339.524 2.160 10 0 EEAERP C[NH2+]CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627072458 469806430 /nfs/dbraw/zinc/80/64/30/469806430.db2.gz ZISBRARSUZCFKR-CYBMUJFWSA-N 2 0 333.263 2.115 10 0 EEAERP CC(C)[NH+]1CCC([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000624102423 469841554 /nfs/dbraw/zinc/84/15/54/469841554.db2.gz VYRAPMOTKIJALZ-UHFFFAOYSA-N 2 0 334.451 2.406 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627200942 469843070 /nfs/dbraw/zinc/84/30/70/469843070.db2.gz VXBFIBDAECOZND-FUHWJXTLSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]1 ZINC000627208959 469845627 /nfs/dbraw/zinc/84/56/27/469845627.db2.gz CUDPWISGBOVUOT-XGXHKWSGSA-N 2 0 342.487 2.043 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C[NH+](C)C ZINC000627475659 469910314 /nfs/dbraw/zinc/91/03/14/469910314.db2.gz RPWPZWYDRRCQTD-FFZOFVMBSA-N 2 0 343.515 2.459 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631042334 470054025 /nfs/dbraw/zinc/05/40/25/470054025.db2.gz POWZEBSXFKXIBJ-UHFFFAOYSA-N 2 0 333.524 2.191 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000625257196 470106324 /nfs/dbraw/zinc/10/63/24/470106324.db2.gz XUKZLXCTAYMSHF-KBPBESRZSA-N 2 0 337.430 2.449 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000634644171 470274051 /nfs/dbraw/zinc/27/40/51/470274051.db2.gz PMUROLDUTWAMSV-SFTDATJTSA-N 2 0 346.515 2.400 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000649342744 470552492 /nfs/dbraw/zinc/55/24/92/470552492.db2.gz MHZLUOQJDJSBID-ZWKOTPCHSA-N 2 0 329.488 2.498 10 0 EEAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000649373402 470563763 /nfs/dbraw/zinc/56/37/63/470563763.db2.gz YFILRHGLVUAIQU-MSOLQXFVSA-N 2 0 342.487 2.085 10 0 EEAERP c1nc2n(n1)[C@H](C[NH+]1CCN(c3cc[nH+]c4ccccc43)CC1)CC2 ZINC000639642171 470590912 /nfs/dbraw/zinc/59/09/12/470590912.db2.gz OCUNKCJKYYQJPQ-HNNXBMFYSA-N 2 0 334.427 2.136 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000639750529 470648623 /nfs/dbraw/zinc/64/86/23/470648623.db2.gz WEICRYQLYDFCQJ-MOPGFXCFSA-N 2 0 333.520 2.141 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H]3OCCN(CC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000649750309 470684178 /nfs/dbraw/zinc/68/41/78/470684178.db2.gz KIENLOGARMXYSW-RTWAWAEBSA-N 2 0 343.515 2.448 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287854 470877332 /nfs/dbraw/zinc/87/73/32/470877332.db2.gz WAIAEQQSAUJEFC-IAGOWNOFSA-N 2 0 333.524 2.144 10 0 EEAERP C[C@H]([NH2+]CCCc1ncn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647327388 470883777 /nfs/dbraw/zinc/88/37/77/470883777.db2.gz ZWTAJKGRSZKSIN-FUHWJXTLSA-N 2 0 327.476 2.248 10 0 EEAERP CCC(C)(C)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000644606288 470994616 /nfs/dbraw/zinc/99/46/16/470994616.db2.gz VLLKEWKAGGIICN-LJQANCHMSA-N 2 0 333.520 2.072 10 0 EEAERP C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899294 471010368 /nfs/dbraw/zinc/01/03/68/471010368.db2.gz FYGGPFROYPQZPG-BHIYHBOVSA-N 2 0 329.488 2.498 10 0 EEAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104534 471138503 /nfs/dbraw/zinc/13/85/03/471138503.db2.gz OBLNKJYHXJDULV-WBAXXEDZSA-N 2 0 340.471 2.028 10 0 EEAERP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104246 471138758 /nfs/dbraw/zinc/13/87/58/471138758.db2.gz KHOCCIRFCDRJGK-RDJZCZTQSA-N 2 0 330.476 2.017 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C1 ZINC000657595590 471179224 /nfs/dbraw/zinc/17/92/24/471179224.db2.gz RFVNUSSQCRXDQR-QGZVFWFLSA-N 2 0 336.439 2.419 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652126811 471240420 /nfs/dbraw/zinc/24/04/20/471240420.db2.gz XZXOHGXWZZALCZ-UHFFFAOYSA-N 2 0 332.492 2.457 10 0 EEAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135492 471269471 /nfs/dbraw/zinc/26/94/71/471269471.db2.gz DYSPQUARSNHVNN-PKOBYXMFSA-N 2 0 340.471 2.154 10 0 EEAERP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652361117 471279636 /nfs/dbraw/zinc/27/96/36/471279636.db2.gz YLTVWDAQCRCLDN-CGTJXYLNSA-N 2 0 331.460 2.294 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663452645 471384398 /nfs/dbraw/zinc/38/43/98/471384398.db2.gz LURCDXDOCBUGKI-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@H+](CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CCCC1 ZINC000659031856 471474763 /nfs/dbraw/zinc/47/47/63/471474763.db2.gz DADNRPLQCQTBRX-GOSISDBHSA-N 2 0 346.475 2.343 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659041532 471483245 /nfs/dbraw/zinc/48/32/45/471483245.db2.gz JEMVBDBIYAVTCZ-QZTJIDSGSA-N 2 0 346.475 2.296 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420311 471488669 /nfs/dbraw/zinc/48/86/69/471488669.db2.gz IXAUDBHZQZTIHQ-NEWSRXKRSA-N 2 0 344.503 2.196 10 0 EEAERP CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663765499 471507831 /nfs/dbraw/zinc/50/78/31/471507831.db2.gz SWTPUFGJXYFWAV-RBUKOAKNSA-N 2 0 346.519 2.285 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655909664 471531540 /nfs/dbraw/zinc/53/15/40/471531540.db2.gz CJHCHZHIVZLFOY-UONOGXRCSA-N 2 0 346.397 2.258 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000666856418 471563892 /nfs/dbraw/zinc/56/38/92/471563892.db2.gz HDVUNHPWIPPTTC-IBGZPJMESA-N 3 0 330.520 2.450 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000656153763 471610270 /nfs/dbraw/zinc/61/02/70/471610270.db2.gz MSTXUEHJTMXISE-MJBXVCDLSA-N 2 0 346.393 2.375 10 0 EEAERP FC1(F)C[C@@H]1OCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000656473995 471727017 /nfs/dbraw/zinc/72/70/17/471727017.db2.gz VTRFYOSTMLTSGO-LBPRGKRZSA-N 2 0 332.314 2.047 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661399399 471741961 /nfs/dbraw/zinc/74/19/61/471741961.db2.gz SRZWPCVCGICYBD-ZWKOTPCHSA-N 2 0 344.503 2.433 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000667432501 471776823 /nfs/dbraw/zinc/77/68/23/471776823.db2.gz GBUWVHFIXFLQQV-OAHLLOKOSA-N 2 0 344.434 2.244 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654065612 471825837 /nfs/dbraw/zinc/82/58/37/471825837.db2.gz CKZHWIRISYRMPC-WOVMCDHWSA-N 2 0 330.476 2.063 10 0 EEAERP CC1(C)C[N@@H+]([C@@H]2CCNC2=O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837240 471876409 /nfs/dbraw/zinc/87/64/09/471876409.db2.gz TUGADPRXZYBHGL-RTBURBONSA-N 2 0 341.499 2.498 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000665287416 471989977 /nfs/dbraw/zinc/98/99/77/471989977.db2.gz KQKTZEJUDIJJQO-IAGOWNOFSA-N 2 0 339.524 2.159 10 0 EEAERP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000665368296 472022504 /nfs/dbraw/zinc/02/25/04/472022504.db2.gz WXPSERKJFBTDGE-AQNXPRMDSA-N 2 0 341.499 2.417 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(F)c1 ZINC000668654374 472209885 /nfs/dbraw/zinc/20/98/85/472209885.db2.gz XVAJPEKDAGJFJQ-MJGOQNOKSA-N 2 0 348.466 2.214 10 0 EEAERP C[C@@H]1C[C@@H](N[C@@]2(CO)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042431 485572942 /nfs/dbraw/zinc/57/29/42/485572942.db2.gz BNGOKTZMYITGOK-HOJAQTOUSA-N 2 0 331.504 2.086 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](OC)C3)cn2)CC1 ZINC000684370563 485861776 /nfs/dbraw/zinc/86/17/76/485861776.db2.gz YFHPATSXFYUTTI-MSOLQXFVSA-N 2 0 332.492 2.271 10 0 EEAERP CCCC(=O)NC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680327902 485941807 /nfs/dbraw/zinc/94/18/07/485941807.db2.gz ZSITVUCEIINKGO-UHFFFAOYSA-N 2 0 341.459 2.456 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[NH+]2CCC1CC2 ZINC000685458551 486125946 /nfs/dbraw/zinc/12/59/46/486125946.db2.gz CLJBOQPZOBLNKD-UHFFFAOYSA-N 2 0 329.488 2.441 10 0 EEAERP CC[N@@H+]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C[C@@H]1C ZINC000677181489 486388736 /nfs/dbraw/zinc/38/87/36/486388736.db2.gz ACTJIBOMXBFXIK-INIZCTEOSA-N 2 0 330.476 2.159 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246219982 535771870 /nfs/dbraw/zinc/77/18/70/535771870.db2.gz GPLRUKPWJIFCEY-GUDVDZBRSA-N 2 0 329.488 2.484 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422822046 536595385 /nfs/dbraw/zinc/59/53/85/536595385.db2.gz ADSZWTGRDPQLPX-MRXNPFEDSA-N 3 0 325.522 2.304 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000730670375 577049634 /nfs/dbraw/zinc/04/96/34/577049634.db2.gz QXHBODGYFMTBBW-MRXNPFEDSA-N 2 0 348.491 2.480 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000925678553 684831164 /nfs/dbraw/zinc/83/11/64/684831164.db2.gz FVUTZQOXVVSEDN-CHWSQXEVSA-N 2 0 342.281 2.106 10 0 EEAERP C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001485503408 1191818089 /nfs/dbraw/zinc/81/80/89/1191818089.db2.gz MKZXQRAXIDHIHT-HUUCEWRRSA-N 2 0 327.488 2.436 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ncccc2C)CC1(C)C ZINC001485581403 1191847972 /nfs/dbraw/zinc/84/79/72/1191847972.db2.gz CQSZJKFJPCBJFY-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC001485616953 1191863453 /nfs/dbraw/zinc/86/34/53/1191863453.db2.gz CLXRYQPGEYDCEP-AKHDSKFASA-N 2 0 329.488 2.067 10 0 EEAERP Cc1nocc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001485657976 1191878863 /nfs/dbraw/zinc/87/88/63/1191878863.db2.gz QJOVZURXSVRXPY-XYJFISCASA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001485740833 1191917355 /nfs/dbraw/zinc/91/73/55/1191917355.db2.gz UUUCTFDYHAFQRC-QGZVFWFLSA-N 2 0 346.519 2.496 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001691960728 1176081740 /nfs/dbraw/zinc/08/17/40/1176081740.db2.gz BRUUHJGMMAVVEX-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)NC[C@H]([NH2+]CCCF)C2CC2)[C@@H](c2ccccc2)C1 ZINC001266430956 1176525976 /nfs/dbraw/zinc/52/59/76/1176525976.db2.gz GWUXGTNJJABMHM-QYZOEREBSA-N 2 0 347.478 2.176 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001266442538 1176541654 /nfs/dbraw/zinc/54/16/54/1176541654.db2.gz YUOKCPPIIQZGIA-UXHICEINSA-N 2 0 343.515 2.364 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266614567 1176992425 /nfs/dbraw/zinc/99/24/25/1176992425.db2.gz JGOHECZUMXDARV-BFYDXBDKSA-N 2 0 325.472 2.380 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701764 1177226764 /nfs/dbraw/zinc/22/67/64/1177226764.db2.gz DVDYWUJWHLOEHP-SFHVURJKSA-N 2 0 341.455 2.323 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001266734875 1177324046 /nfs/dbraw/zinc/32/40/46/1177324046.db2.gz BEEYSLCRJNTIDV-CALCHBBNSA-N 2 0 348.491 2.294 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001691103463 1177581501 /nfs/dbraw/zinc/58/15/01/1177581501.db2.gz YWQUWHRWDLUGAW-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001691128645 1177617196 /nfs/dbraw/zinc/61/71/96/1177617196.db2.gz PTMGYFNJJIMJBU-OTVXOJSOSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001691165665 1177662929 /nfs/dbraw/zinc/66/29/29/1177662929.db2.gz CWKLMYZXQCDKSK-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001266945039 1177863855 /nfs/dbraw/zinc/86/38/55/1177863855.db2.gz XJFYKXVWRVDXEP-QGZVFWFLSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C[NH2+]CCF)C1 ZINC001691370418 1177978880 /nfs/dbraw/zinc/97/88/80/1177978880.db2.gz PRTJQYYKCISHNP-VKJFTORMSA-N 2 0 345.478 2.385 10 0 EEAERP CC1CC(C[NH2+]CCc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)C1 ZINC001267098026 1178234859 /nfs/dbraw/zinc/23/48/59/1178234859.db2.gz CKKZETNVFHVYLY-GQOXECLESA-N 2 0 343.515 2.433 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1)C12CC[NH+](CC1)C2 ZINC001267179148 1178432942 /nfs/dbraw/zinc/43/29/42/1178432942.db2.gz MAJWRHRRSXBVHM-GOSISDBHSA-N 2 0 342.487 2.038 10 0 EEAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCCc2ccccc21 ZINC001480934727 1178835533 /nfs/dbraw/zinc/83/55/33/1178835533.db2.gz FGSZTDASMKASAS-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001267372759 1178883271 /nfs/dbraw/zinc/88/32/71/1178883271.db2.gz XBRDGDPSOFEWKC-KRWDZBQOSA-N 2 0 339.430 2.386 10 0 EEAERP CN(CC[NH2+]Cc1nsc2ccccc12)C(=O)C1([NH+](C)C)CCC1 ZINC001267384541 1178942863 /nfs/dbraw/zinc/94/28/63/1178942863.db2.gz WKIQDDPPHXFRNU-UHFFFAOYSA-N 2 0 346.500 2.329 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2cnccc2C)C1 ZINC001267416487 1178989958 /nfs/dbraw/zinc/98/99/58/1178989958.db2.gz SIAOUFWTURFNCC-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456868 1179039991 /nfs/dbraw/zinc/03/99/91/1179039991.db2.gz LRESHIJSXJBXBK-UHFFFAOYSA-N 2 0 335.879 2.026 10 0 EEAERP COCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267490073 1179162831 /nfs/dbraw/zinc/16/28/31/1179162831.db2.gz FOFJXFGSIWQSSQ-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCOC(C)C)C1 ZINC001481052160 1179633629 /nfs/dbraw/zinc/63/36/29/1179633629.db2.gz KKQWXXKXLGCJSF-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001481072374 1179676318 /nfs/dbraw/zinc/67/63/18/1179676318.db2.gz TWCNGFYDSHGLDU-IEBWSBKVSA-N 2 0 345.462 2.489 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481070898 1179680206 /nfs/dbraw/zinc/68/02/06/1179680206.db2.gz JYYQTPBETVNWGH-HXUWFJFHSA-N 2 0 343.515 2.468 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481125011 1179825950 /nfs/dbraw/zinc/82/59/50/1179825950.db2.gz ZNFKLHOKKUMRLV-GOSISDBHSA-N 2 0 333.520 2.491 10 0 EEAERP CCCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ocnc1C ZINC001481143495 1179913585 /nfs/dbraw/zinc/91/35/85/1179913585.db2.gz DYAULYZVCBSIII-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481265163 1180516027 /nfs/dbraw/zinc/51/60/27/1180516027.db2.gz CMWCVLCDCCSRRK-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001267933623 1180786346 /nfs/dbraw/zinc/78/63/46/1180786346.db2.gz KJNILZYCVNVCQO-QAETUUGQSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1 ZINC001481317422 1181017352 /nfs/dbraw/zinc/01/73/52/1181017352.db2.gz DZALDNWSMQHUIP-KBPBESRZSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481327921 1181043781 /nfs/dbraw/zinc/04/37/81/1181043781.db2.gz ICFHCKHDTRDASR-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001481408677 1181240479 /nfs/dbraw/zinc/24/04/79/1181240479.db2.gz DOSMVMANTCCAAI-HKUYNNGSSA-N 2 0 344.503 2.236 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001268038174 1181386269 /nfs/dbraw/zinc/38/62/69/1181386269.db2.gz QOQUNFRJLWUGNA-INIZCTEOSA-N 2 0 327.488 2.487 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001481457068 1181410857 /nfs/dbraw/zinc/41/08/57/1181410857.db2.gz JXDPKRTXTBAUIS-AEFFLSMTSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@H](C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2)OC ZINC001268046893 1181542543 /nfs/dbraw/zinc/54/25/43/1181542543.db2.gz NYSGOIFJYOCVKW-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H]1CCCC1(F)F ZINC001481682674 1182197453 /nfs/dbraw/zinc/19/74/53/1182197453.db2.gz DZCWDSFTDXDDNL-PMPSAXMXSA-N 2 0 343.462 2.437 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001481705201 1182255419 /nfs/dbraw/zinc/25/54/19/1182255419.db2.gz HVZCDQLFSFQZKX-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)CCn1ccnc1 ZINC001268382989 1182414378 /nfs/dbraw/zinc/41/43/78/1182414378.db2.gz GUXWMOWWKRSOGP-OAHLLOKOSA-N 2 0 332.423 2.405 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268424777 1182596052 /nfs/dbraw/zinc/59/60/52/1182596052.db2.gz AXVMLQKLVJSYFV-KRWDZBQOSA-N 2 0 332.492 2.250 10 0 EEAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)[NH+](C)C ZINC001481933555 1182981788 /nfs/dbraw/zinc/98/17/88/1182981788.db2.gz LQYQEDRFNIFDIS-WBVHZDCISA-N 2 0 338.521 2.166 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)C12CC[NH+](CC1)C2 ZINC001268492628 1182991881 /nfs/dbraw/zinc/99/18/81/1182991881.db2.gz IHTNUJJWBXAVLD-UHFFFAOYSA-N 2 0 341.908 2.435 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001481953343 1183030286 /nfs/dbraw/zinc/03/02/86/1183030286.db2.gz XSAQDIZRVBSECP-KXBFYZLASA-N 2 0 333.451 2.152 10 0 EEAERP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001482000968 1183115004 /nfs/dbraw/zinc/11/50/04/1183115004.db2.gz UHADWLBCWBLKCP-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001482007768 1183129835 /nfs/dbraw/zinc/12/98/35/1183129835.db2.gz FEDBVLGZEJBBOD-IYBDPMFKSA-N 2 0 348.491 2.266 10 0 EEAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001482017592 1183137268 /nfs/dbraw/zinc/13/72/68/1183137268.db2.gz BAPOHECVLVISBG-WKILWMFISA-N 2 0 339.524 2.303 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001268540860 1183208892 /nfs/dbraw/zinc/20/88/92/1183208892.db2.gz ATVZNMHFZDWLIJ-LMIZRQEKSA-N 2 0 335.879 2.442 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001268625118 1183547594 /nfs/dbraw/zinc/54/75/94/1183547594.db2.gz LGFCOWQUMHQPQI-NVFZZLLCSA-N 2 0 337.414 2.240 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001268754633 1183670154 /nfs/dbraw/zinc/67/01/54/1183670154.db2.gz FPLSDSXUOHVOLX-JQWIXIFHSA-N 2 0 347.290 2.281 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001268848382 1183765022 /nfs/dbraw/zinc/76/50/22/1183765022.db2.gz ZMJLPCXMVCUPHF-MRXNPFEDSA-N 2 0 349.523 2.262 10 0 EEAERP CN(CCC[NH2+]Cc1cscn1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268915392 1183824046 /nfs/dbraw/zinc/82/40/46/1183824046.db2.gz MGMCKSPFZPSZQP-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c1ncccn1)[NH+]1CCCC1 ZINC001268962179 1183859721 /nfs/dbraw/zinc/85/97/21/1183859721.db2.gz OOWANKRLCIBDTP-SJORKVTESA-N 2 0 347.507 2.096 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001269424250 1184256594 /nfs/dbraw/zinc/25/65/94/1184256594.db2.gz DFBBPFZRCFRIMN-ZIAGYGMSSA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001269436754 1184266562 /nfs/dbraw/zinc/26/65/62/1184266562.db2.gz ANUPQIFMYDSXMQ-SJORKVTESA-N 2 0 337.508 2.057 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CC[NH2+]C/C=C\Cl)C2)C1 ZINC001269785464 1184622862 /nfs/dbraw/zinc/62/28/62/1184622862.db2.gz NMMWQWDRNQAEQD-TTXFDSJOSA-N 2 0 327.900 2.299 10 0 EEAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCCc2ccccc2)C1 ZINC001269887080 1184695605 /nfs/dbraw/zinc/69/56/05/1184695605.db2.gz SJOOGZOHJZYLBA-GOSISDBHSA-N 2 0 329.488 2.104 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C[C@@H]1C ZINC001269989576 1184769690 /nfs/dbraw/zinc/76/96/90/1184769690.db2.gz ULRJIHILTAGZHF-ROUUACIJSA-N 2 0 347.503 2.375 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001270092000 1184839773 /nfs/dbraw/zinc/83/97/73/1184839773.db2.gz UOTOOUDVXZQTSD-HPTQEQEDSA-N 2 0 345.834 2.214 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283896 1185059336 /nfs/dbraw/zinc/05/93/36/1185059336.db2.gz RHKAJPCTUVPSMP-LZLYRXPVSA-N 2 0 347.503 2.280 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001482284245 1185062922 /nfs/dbraw/zinc/06/29/22/1185062922.db2.gz LYXCASUFNPBDGE-SJLPKXTDSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482295560 1185157722 /nfs/dbraw/zinc/15/77/22/1185157722.db2.gz BOMGLSLFLQCSQA-CJNGLKHVSA-N 2 0 336.480 2.102 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001270559912 1185170006 /nfs/dbraw/zinc/17/00/06/1185170006.db2.gz VVWCTUQSBIAKAI-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001482368629 1185530099 /nfs/dbraw/zinc/53/00/99/1185530099.db2.gz IALAVZWIGAQYQR-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)OCCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001270869874 1185555370 /nfs/dbraw/zinc/55/53/70/1185555370.db2.gz GKVGHIWFXLRIDN-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001482412934 1185648086 /nfs/dbraw/zinc/64/80/86/1185648086.db2.gz KAMHLAYQAQXXNZ-KRWDZBQOSA-N 2 0 348.491 2.234 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001482457223 1185891780 /nfs/dbraw/zinc/89/17/80/1185891780.db2.gz SYDXBDNHOIZBJM-MSOLQXFVSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271161391 1186013122 /nfs/dbraw/zinc/01/31/22/1186013122.db2.gz CXKDQPTYZIBEMH-VSZOKUSCSA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCCCCF)CC2)[NH+](C)C ZINC001280388038 1186145169 /nfs/dbraw/zinc/14/51/69/1186145169.db2.gz LLTIRIDRIDATAB-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001482692771 1187659341 /nfs/dbraw/zinc/65/93/41/1187659341.db2.gz JYQJZOGFYSBNMS-RBUKOAKNSA-N 2 0 346.519 2.415 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001482847181 1187766176 /nfs/dbraw/zinc/76/61/76/1187766176.db2.gz QDCQDAMTTKWZOS-MLGOLLRUSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncccn1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482847795 1187766641 /nfs/dbraw/zinc/76/66/41/1187766641.db2.gz IFQUWOQNVMHCIZ-OAHLLOKOSA-N 2 0 347.507 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)noc1C ZINC001482903127 1187828959 /nfs/dbraw/zinc/82/89/59/1187828959.db2.gz XDKXZDXSPXZSLB-GUYCJALGSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482962828 1187896559 /nfs/dbraw/zinc/89/65/59/1187896559.db2.gz PLMGFIILMNHCEH-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc(Cl)n1 ZINC000841848558 1187994169 /nfs/dbraw/zinc/99/41/69/1187994169.db2.gz MCQKCDAMMXFBIE-CABCVRRESA-N 2 0 338.883 2.457 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001483091897 1188459664 /nfs/dbraw/zinc/45/96/64/1188459664.db2.gz BAQNPISJHKNFOJ-QJWSLPPGSA-N 2 0 345.462 2.417 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001409284753 1188598873 /nfs/dbraw/zinc/59/88/73/1188598873.db2.gz ZTSBNDVRVNWTQX-WTNGLUPJSA-N 2 0 333.451 2.249 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184575 1189058383 /nfs/dbraw/zinc/05/83/83/1189058383.db2.gz QUFLPFYGFQNQHR-GFCCVEGCSA-N 2 0 339.842 2.169 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)c(C)n1 ZINC001485838633 1193609462 /nfs/dbraw/zinc/60/94/62/1193609462.db2.gz VPJYVWVXHDIZKZ-IBGZPJMESA-N 2 0 346.519 2.365 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485875223 1193627020 /nfs/dbraw/zinc/62/70/20/1193627020.db2.gz JUZUDQULYMIECQ-HNAYVOBHSA-N 2 0 347.478 2.412 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001409347899 1189558813 /nfs/dbraw/zinc/55/88/13/1189558813.db2.gz FAEDSJMZTWAWOC-LSDHHAIUSA-N 2 0 335.467 2.335 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001485875273 1193627114 /nfs/dbraw/zinc/62/71/14/1193627114.db2.gz KKPJSZZBROXJQJ-XLIONFOSSA-N 2 0 343.515 2.316 10 0 EEAERP Cc1oc(-c2ccco2)nc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409397217 1189621389 /nfs/dbraw/zinc/62/13/89/1189621389.db2.gz KMZAWJDLPDTWLY-STQMWFEESA-N 2 0 348.447 2.178 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001409410967 1189628889 /nfs/dbraw/zinc/62/88/89/1189628889.db2.gz NVAVYEWBUGVGJP-OLZOCXBDSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001485886334 1193629915 /nfs/dbraw/zinc/62/99/15/1193629915.db2.gz UWFWGZYNUMDYGA-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001483234560 1189722332 /nfs/dbraw/zinc/72/23/32/1189722332.db2.gz TUJZJKZIXCBDMC-NWDGAFQWSA-N 2 0 336.307 2.149 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001485956499 1193648511 /nfs/dbraw/zinc/64/85/11/1193648511.db2.gz XVYDCHJGTQXIOC-ROUUACIJSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409630737 1190122914 /nfs/dbraw/zinc/12/29/14/1190122914.db2.gz GFMXMKDVOUFEGY-HNNXBMFYSA-N 2 0 333.451 2.166 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485962388 1193660578 /nfs/dbraw/zinc/66/05/78/1193660578.db2.gz XZIUYKBXTNJFLF-OAHLLOKOSA-N 2 0 330.476 2.445 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC001409689587 1190191174 /nfs/dbraw/zinc/19/11/74/1190191174.db2.gz STFNEKMUJNXGAR-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284720 1190308630 /nfs/dbraw/zinc/30/86/30/1190308630.db2.gz RRHPFVBOWCCVMH-MPNRVQBSSA-N 2 0 327.472 2.280 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2cnc(C)s2)CC[N@@H+]1C ZINC001483466595 1190490037 /nfs/dbraw/zinc/49/00/37/1190490037.db2.gz MPNPWAXGXAAQGI-JKSUJKDBSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC001483608030 1190586893 /nfs/dbraw/zinc/58/68/93/1190586893.db2.gz QAFVHEIRGBWSER-IRXDYDNUSA-N 2 0 348.491 2.150 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CCc2cccs2)C1)C12CC[NH+](CC1)C2 ZINC001272616136 1190931044 /nfs/dbraw/zinc/93/10/44/1190931044.db2.gz KADUOEMQFMCGIX-MRXNPFEDSA-N 2 0 347.528 2.215 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC001483760902 1190988751 /nfs/dbraw/zinc/98/87/51/1190988751.db2.gz CLVHRGMSRODKIC-MRXNPFEDSA-N 2 0 348.466 2.081 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC001483959607 1191128526 /nfs/dbraw/zinc/12/85/26/1191128526.db2.gz ZDNMCUUGHMSWNK-KRWDZBQOSA-N 2 0 333.476 2.116 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484000580 1191150636 /nfs/dbraw/zinc/15/06/36/1191150636.db2.gz HGQOAZTWILUJQS-OIISXLGYSA-N 2 0 348.491 2.088 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)CCC1 ZINC001484097526 1191209299 /nfs/dbraw/zinc/20/92/99/1191209299.db2.gz BHFIJODSKPKSJV-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C[NH2+]CCCF ZINC001484373998 1191321894 /nfs/dbraw/zinc/32/18/94/1191321894.db2.gz NHTDJYUTXDTTDA-WMZOPIPTSA-N 2 0 349.494 2.448 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3nccn32)C1)OC ZINC001484530006 1191400059 /nfs/dbraw/zinc/40/00/59/1191400059.db2.gz OXOKHBBUCYBRSC-CVEARBPZSA-N 2 0 344.459 2.201 10 0 EEAERP C[N@H+](CCCF)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484556909 1191413310 /nfs/dbraw/zinc/41/33/10/1191413310.db2.gz AGBMGOYLDRTLHF-INIZCTEOSA-N 2 0 335.467 2.436 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001484729772 1191488226 /nfs/dbraw/zinc/48/82/26/1191488226.db2.gz XBOSZCNJXXFUOR-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(C[NH+](CC3CCCC3)C2)C1 ZINC001484797937 1191529877 /nfs/dbraw/zinc/52/98/77/1191529877.db2.gz VPHABHJGTGWJMK-QZTJIDSGSA-N 2 0 349.519 2.011 10 0 EEAERP CCC1([NH2+]Cc2ccccn2)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484817240 1191538322 /nfs/dbraw/zinc/53/83/22/1191538322.db2.gz XMCASKIVOLRPBD-UHFFFAOYSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)s1 ZINC001484910044 1191571204 /nfs/dbraw/zinc/57/12/04/1191571204.db2.gz RNLJOAZXZWXLCZ-DOMZBBRYSA-N 2 0 338.521 2.037 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]C[C@@H](C)OC)CC2)C1 ZINC001484921704 1191575890 /nfs/dbraw/zinc/57/58/90/1191575890.db2.gz CVEPTTNGSNAEOP-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192212 1191686879 /nfs/dbraw/zinc/68/68/79/1191686879.db2.gz ZJAZKFHHAQFFPK-HUUCEWRRSA-N 2 0 335.467 2.459 10 0 EEAERP CCc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218468 1191689990 /nfs/dbraw/zinc/68/99/90/1191689990.db2.gz YWLODKFEXIKJIR-JKSUJKDBSA-N 2 0 329.488 2.328 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214568 1191696316 /nfs/dbraw/zinc/69/63/16/1191696316.db2.gz GSYXJMRROPRHDJ-HOTGVXAUSA-N 2 0 347.503 2.084 10 0 EEAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001485253854 1191705045 /nfs/dbraw/zinc/70/50/45/1191705045.db2.gz RLIBCTZLOUPIDT-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1 ZINC001485323015 1191742143 /nfs/dbraw/zinc/74/21/43/1191742143.db2.gz JORLUGIHKOLNML-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP COc1cccc(CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001485383959 1191769037 /nfs/dbraw/zinc/76/90/37/1191769037.db2.gz QGIJPPIGLOQUEI-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1cncc(C[N@@H+]2CC[C@]3(NC(=O)CCC[NH+](C)C)CCC[C@H]23)c1 ZINC001486151770 1193702360 /nfs/dbraw/zinc/70/23/60/1193702360.db2.gz YDFMOLNJOLMTRB-AZUAARDMSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@]3(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]23)c1 ZINC001486153184 1193703316 /nfs/dbraw/zinc/70/33/16/1193703316.db2.gz CPDZIJLVWRVNPX-QUCCMNQESA-N 2 0 344.503 2.343 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001486241274 1193767715 /nfs/dbraw/zinc/76/77/15/1193767715.db2.gz VEHGDENSXFVLBG-AWEZNQCLSA-N 2 0 331.451 2.200 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]Cc2nccs2)C(C)(C)C)C1 ZINC001486419724 1193932396 /nfs/dbraw/zinc/93/23/96/1193932396.db2.gz IDCRPOLOJIXFKG-ZIAGYGMSSA-N 2 0 338.521 2.105 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]Cc2nccs2)C(C)(C)C)C1 ZINC001486419721 1193932469 /nfs/dbraw/zinc/93/24/69/1193932469.db2.gz IDCRPOLOJIXFKG-KBPBESRZSA-N 2 0 338.521 2.105 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001273010151 1194317330 /nfs/dbraw/zinc/31/73/30/1194317330.db2.gz DUOYKWWQLKVQSE-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123181 1194406297 /nfs/dbraw/zinc/40/62/97/1194406297.db2.gz OKJYNWQTSVGPPZ-HNNXBMFYSA-N 2 0 349.906 2.463 10 0 EEAERP COCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001691671217 1194414978 /nfs/dbraw/zinc/41/49/78/1194414978.db2.gz BTULKAHAZUTLSH-AWEZNQCLSA-N 2 0 344.459 2.119 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702126015 1195749072 /nfs/dbraw/zinc/74/90/72/1195749072.db2.gz YAGIIFKQCDJRAU-PCCBWWKXSA-N 2 0 345.531 2.141 10 0 EEAERP CC1CCC(C[NH2+]CCN(C)C(=O)c2cc(CN(C)C)on2)CC1 ZINC001493609478 1197053270 /nfs/dbraw/zinc/05/32/70/1197053270.db2.gz NQXAZYDLAVCETJ-UHFFFAOYSA-N 2 0 336.480 2.224 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001410160714 1197575303 /nfs/dbraw/zinc/57/53/03/1197575303.db2.gz PEAXYIVAQPICHL-OKYOBFRVSA-N 2 0 333.520 2.201 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001410173033 1197583007 /nfs/dbraw/zinc/58/30/07/1197583007.db2.gz GVRUSVOVRUJTAV-UHFFFAOYSA-N 2 0 348.491 2.056 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3conc3C)C[C@H]2C1 ZINC001410179869 1197587057 /nfs/dbraw/zinc/58/70/57/1197587057.db2.gz HXXHJHHUUNVXHN-JFIYKMOQSA-N 2 0 348.491 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3conc3C)C[C@H]2C1 ZINC001410179874 1197587483 /nfs/dbraw/zinc/58/74/83/1197587483.db2.gz HXXHJHHUUNVXHN-LZLYRXPVSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1)OC ZINC001410227092 1197617544 /nfs/dbraw/zinc/61/75/44/1197617544.db2.gz YRXMAQNDBMECML-BRSBDYLESA-N 2 0 339.524 2.159 10 0 EEAERP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872028766 1198031052 /nfs/dbraw/zinc/03/10/52/1198031052.db2.gz RGNZSTTWCMIMTI-ZWKOTPCHSA-N 2 0 332.492 2.128 10 0 EEAERP C[C@@]1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C[NH2+]CCO1 ZINC000872173871 1198070203 /nfs/dbraw/zinc/07/02/03/1198070203.db2.gz ZVQNREGIFRQYCV-SFHVURJKSA-N 2 0 328.416 2.167 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000872205909 1198085908 /nfs/dbraw/zinc/08/59/08/1198085908.db2.gz LIXATEDZLALYJJ-VNTMZGSJSA-N 2 0 346.515 2.399 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000865801655 1198381192 /nfs/dbraw/zinc/38/11/92/1198381192.db2.gz BPYSIHLRYNKXBR-PWRODBHTSA-N 2 0 343.515 2.412 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001279180762 1198433102 /nfs/dbraw/zinc/43/31/02/1198433102.db2.gz GIRRAIBXNSFHMJ-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1csc(CN2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)n1 ZINC001410930882 1198595882 /nfs/dbraw/zinc/59/58/82/1198595882.db2.gz QDPLGDRMJCGDBZ-GJZGRUSLSA-N 2 0 338.521 2.261 10 0 EEAERP CCN(CCNCc1cc(C)on1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001273421102 1198774682 /nfs/dbraw/zinc/77/46/82/1198774682.db2.gz RNBHHKPXMJOQHB-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)N(CC[N@H+](C)CCC[C@H]1CCOC1)C(=O)[C@H]1CCC[NH+]1C ZINC001411198846 1198896594 /nfs/dbraw/zinc/89/65/94/1198896594.db2.gz JGJLNPYLCGFARY-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(F)cc2)C(C)(C)C)C1 ZINC001411220467 1198930713 /nfs/dbraw/zinc/93/07/13/1198930713.db2.gz FWFWSWLNKIWKND-RDJZCZTQSA-N 2 0 335.467 2.398 10 0 EEAERP COCc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001411254923 1198981700 /nfs/dbraw/zinc/98/17/00/1198981700.db2.gz QPUVXYWESJYAPH-UHFFFAOYSA-N 2 0 347.503 2.252 10 0 EEAERP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000811524878 1200106993 /nfs/dbraw/zinc/10/69/93/1200106993.db2.gz OXVIPNDTPOQQHU-JCHQDKQGSA-N 2 0 325.472 2.283 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000870017902 1200409431 /nfs/dbraw/zinc/40/94/31/1200409431.db2.gz RYSUGDOAOCRUIY-QZTJIDSGSA-N 2 0 349.494 2.346 10 0 EEAERP CC(C)Oc1ccccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021419 1200412168 /nfs/dbraw/zinc/41/21/68/1200412168.db2.gz DVFDOFLDMWJGBC-IAGOWNOFSA-N 2 0 347.503 2.285 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870880336 1200928970 /nfs/dbraw/zinc/92/89/70/1200928970.db2.gz ZLWBVNUMAOEEAE-ZIAGYGMSSA-N 2 0 340.265 2.002 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1c1cccs1 ZINC000870892430 1200936155 /nfs/dbraw/zinc/93/61/55/1200936155.db2.gz JTKPHHAHKZQRTR-CNKGYHKASA-N 2 0 333.501 2.375 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000870956394 1200976116 /nfs/dbraw/zinc/97/61/16/1200976116.db2.gz UJIIFIFGGCOPRY-KGLIPLIRSA-N 2 0 340.265 2.049 10 0 EEAERP C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000866414664 1201512150 /nfs/dbraw/zinc/51/21/50/1201512150.db2.gz RHQZUWXUDXRZOG-HOJAQTOUSA-N 2 0 345.531 2.332 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001274644804 1205112990 /nfs/dbraw/zinc/11/29/90/1205112990.db2.gz RLICCAWSURNBNN-SJLPKXTDSA-N 2 0 349.523 2.218 10 0 EEAERP C[C@H](CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+](C)Cc1ccccc1 ZINC001412637959 1205808413 /nfs/dbraw/zinc/80/84/13/1205808413.db2.gz GCBONJIWQCXJRZ-SJLPKXTDSA-N 2 0 335.467 2.447 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C12CCC2 ZINC000925565718 1206129153 /nfs/dbraw/zinc/12/91/53/1206129153.db2.gz WXSJQOFLLUGQDH-QZTJIDSGSA-N 2 0 344.455 2.323 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000925638719 1206138561 /nfs/dbraw/zinc/13/85/61/1206138561.db2.gz FEBLFADBEDZJRF-GJZGRUSLSA-N 2 0 336.455 2.053 10 0 EEAERP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)c2)nn1 ZINC000925722491 1206146545 /nfs/dbraw/zinc/14/65/45/1206146545.db2.gz LKUVUMUSYMNLJO-YESZJQIVSA-N 2 0 341.459 2.021 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000925735630 1206147775 /nfs/dbraw/zinc/14/77/75/1206147775.db2.gz HRSWWPTZLDGGOK-RHSMWYFYSA-N 2 0 333.476 2.475 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925817744 1206157658 /nfs/dbraw/zinc/15/76/58/1206157658.db2.gz WHXZJTIMXMWNKU-MOPGFXCFSA-N 2 0 345.487 2.181 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833311 1206158516 /nfs/dbraw/zinc/15/85/16/1206158516.db2.gz WFPGPOWCLDCHJT-SQWXYCIISA-N 2 0 326.440 2.423 10 0 EEAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000925843586 1206159160 /nfs/dbraw/zinc/15/91/60/1206159160.db2.gz FQJGHZOUJMEEGT-MRXNPFEDSA-N 2 0 329.492 2.299 10 0 EEAERP CC(C)C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853764 1206161236 /nfs/dbraw/zinc/16/12/36/1206161236.db2.gz REOONAWFVAVAII-NVXWUHKLSA-N 2 0 331.460 2.444 10 0 EEAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2c(c1)CCO2 ZINC000925853624 1206161317 /nfs/dbraw/zinc/16/13/17/1206161317.db2.gz JNRUCPGTEDWWFW-DLBZAZTESA-N 2 0 344.455 2.348 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC12CC[NH2+]CC2 ZINC000925854592 1206161406 /nfs/dbraw/zinc/16/14/06/1206161406.db2.gz RZBLIRAQNQVGMK-NHYWBVRUSA-N 2 0 336.382 2.227 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925909131 1206166921 /nfs/dbraw/zinc/16/69/21/1206166921.db2.gz CBAIOKGJIKIUQK-NXHRZFHOSA-N 2 0 347.507 2.056 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925915761 1206167686 /nfs/dbraw/zinc/16/76/86/1206167686.db2.gz GJZONKNRWBCQDX-MSOLQXFVSA-N 2 0 347.507 2.199 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925926474 1206169711 /nfs/dbraw/zinc/16/97/11/1206169711.db2.gz ORCHIDLSEUGAAX-GDBMZVCRSA-N 2 0 334.464 2.137 10 0 EEAERP Cc1ccc(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000926043063 1206185218 /nfs/dbraw/zinc/18/52/18/1206185218.db2.gz QQCNEUGWCQKILO-HOTGVXAUSA-N 2 0 348.491 2.384 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000926686914 1206237300 /nfs/dbraw/zinc/23/73/00/1206237300.db2.gz SQSMRULQYLUHJZ-IRXDYDNUSA-N 2 0 344.507 2.190 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1cccnc1 ZINC000928830396 1206425397 /nfs/dbraw/zinc/42/53/97/1206425397.db2.gz MPCCWIOTCOGZKS-KRWDZBQOSA-N 2 0 332.492 2.455 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4C[C@@H]5COC[C@@H]5O4)C[C@H]3C2)cc1 ZINC000931747617 1207454946 /nfs/dbraw/zinc/45/49/46/1207454946.db2.gz TZBVMALYUFLHPH-ZPAWYTMASA-N 2 0 342.483 2.244 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087213 1234034345 /nfs/dbraw/zinc/03/43/45/1234034345.db2.gz UQRPQHKRPFPXCY-ROUUACIJSA-N 2 0 345.487 2.097 10 0 EEAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000900180749 1234070920 /nfs/dbraw/zinc/07/09/20/1234070920.db2.gz USLYOGDIRNTRJV-HXUWFJFHSA-N 2 0 345.487 2.458 10 0 EEAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC001413185086 1234556584 /nfs/dbraw/zinc/55/65/84/1234556584.db2.gz GQKSLRRPARNGFR-FGTMMUONSA-N 2 0 329.488 2.353 10 0 EEAERP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)C12CCC2 ZINC000903899528 1242398094 /nfs/dbraw/zinc/39/80/94/1242398094.db2.gz SXUYYRNLIVJJHW-KBAYOESNSA-N 2 0 334.508 2.125 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cnn1C ZINC000903924909 1242519409 /nfs/dbraw/zinc/51/94/09/1242519409.db2.gz JZXMYHRQPSCSSP-IBGZPJMESA-N 3 0 349.567 2.194 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001491169625 1258738288 /nfs/dbraw/zinc/73/82/88/1258738288.db2.gz DIJPGYAXNRIZSF-KRWDZBQOSA-N 2 0 337.533 2.461 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001491172066 1258741796 /nfs/dbraw/zinc/74/17/96/1258741796.db2.gz AVHGRWWOWUGJHY-VJHAYEMCSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491183269 1258748027 /nfs/dbraw/zinc/74/80/27/1258748027.db2.gz BEBOCSGBPDHTRH-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCOC(C)C)CC[N@@H+]1C ZINC001491250643 1258843988 /nfs/dbraw/zinc/84/39/88/1258843988.db2.gz NOTYPYRVUHFIML-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491297335 1258914105 /nfs/dbraw/zinc/91/41/05/1258914105.db2.gz HXHUGMYDOJELEX-AEFFLSMTSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@H](NC(=O)Cc1cncn1C)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001491294120 1258918534 /nfs/dbraw/zinc/91/85/34/1258918534.db2.gz BCCWCMMLLJTCSJ-GOEBONIOSA-N 2 0 346.500 2.441 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccsc1 ZINC001491457221 1259101342 /nfs/dbraw/zinc/10/13/42/1259101342.db2.gz ORTMAISSZSMPFF-RHSMWYFYSA-N 2 0 335.517 2.117 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491502744 1259152548 /nfs/dbraw/zinc/15/25/48/1259152548.db2.gz BXYNYLOJKCPGDJ-UKRRQHHQSA-N 2 0 336.480 2.185 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505324 1259156402 /nfs/dbraw/zinc/15/64/02/1259156402.db2.gz VVEIHCCGEDHRGY-CJNGLKHVSA-N 2 0 338.521 2.166 10 0 EEAERP CSc1nnc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1CC(C)C ZINC000925487699 1292207273 /nfs/dbraw/zinc/20/72/73/1292207273.db2.gz NXOYEFOTKDYFIM-ZIAGYGMSSA-N 2 0 337.537 2.448 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000854231001 1292681499 /nfs/dbraw/zinc/68/14/99/1292681499.db2.gz GMYGCNVGHYHTHO-HNNXBMFYSA-N 2 0 345.487 2.263 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(C)n3)C2)ccn1 ZINC000856549463 1293564598 /nfs/dbraw/zinc/56/45/98/1293564598.db2.gz RTGBNLLEQVSVEP-IBGZPJMESA-N 2 0 341.459 2.285 10 0 EEAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC000931380822 1297167590 /nfs/dbraw/zinc/16/75/90/1297167590.db2.gz RSZIAJSLUSRUAE-MSOLQXFVSA-N 2 0 340.508 2.256 10 0 EEAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001277818831 1304640377 /nfs/dbraw/zinc/64/03/77/1304640377.db2.gz DANZCAIJDZYHFI-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001491561506 1304681248 /nfs/dbraw/zinc/68/12/48/1304681248.db2.gz XOCAYVYNHATNDX-VYDXJSESSA-N 2 0 345.487 2.041 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001118846340 1308951197 /nfs/dbraw/zinc/95/11/97/1308951197.db2.gz YZHYQQWXOGTXPH-DLBZAZTESA-N 2 0 345.491 2.009 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001278422646 1310200603 /nfs/dbraw/zinc/20/06/03/1310200603.db2.gz FGXKWDKWVGUPEN-QAPCUYQASA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001278466011 1310430276 /nfs/dbraw/zinc/43/02/76/1310430276.db2.gz FEACQMNOARURCJ-XLIONFOSSA-N 2 0 349.519 2.011 10 0 EEAERP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866677 1315626385 /nfs/dbraw/zinc/62/63/85/1315626385.db2.gz GIMSPSPJUAYERV-HIEASXQVSA-N 2 0 330.476 2.343 10 0 EEAERP CC(C)(C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001157382855 1318591195 /nfs/dbraw/zinc/59/11/95/1318591195.db2.gz ZLWCBWBSKMUWBR-UHFFFAOYSA-N 2 0 347.503 2.126 10 0 EEAERP COCCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001279097158 1319254320 /nfs/dbraw/zinc/25/43/20/1319254320.db2.gz MFKVHZGTXSBSPC-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001264656059 1322767655 /nfs/dbraw/zinc/76/76/55/1322767655.db2.gz ZOZVSWSZRYQPTF-ZGQVYYGYSA-N 2 0 331.504 2.219 10 0 EEAERP CC(C)c1cccc(C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)n1 ZINC001265068239 1322905181 /nfs/dbraw/zinc/90/51/81/1322905181.db2.gz BYEFWOJLWFVCDH-UHFFFAOYSA-N 2 0 332.492 2.239 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001265670902 1323310893 /nfs/dbraw/zinc/31/08/93/1323310893.db2.gz XGYCZTZGWGMSEQ-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCOc2ccccc2)CC[N@@H+]1C ZINC001265910197 1323479326 /nfs/dbraw/zinc/47/93/26/1323479326.db2.gz RIDLFQUFIUWWLG-ROUUACIJSA-N 2 0 347.503 2.234 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001265914794 1323482671 /nfs/dbraw/zinc/48/26/71/1323482671.db2.gz WZBBWNCPLKGUCX-PKOBYXMFSA-N 2 0 347.503 2.213 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1cncs1 ZINC001265933067 1323497353 /nfs/dbraw/zinc/49/73/53/1323497353.db2.gz FLFVHSYLBWQJPZ-INIZCTEOSA-N 2 0 338.521 2.344 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[N@H+](C)CCC(F)(F)F)C1 ZINC001265954390 1323516602 /nfs/dbraw/zinc/51/66/02/1323516602.db2.gz POUPUMNZPFLWKZ-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001265963703 1323524857 /nfs/dbraw/zinc/52/48/57/1323524857.db2.gz JVLRPZJIUWEQQH-MOPGFXCFSA-N 2 0 329.488 2.070 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266242042 1323830953 /nfs/dbraw/zinc/83/09/53/1323830953.db2.gz YIDBZGLIZARKAQ-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001280083041 1324077913 /nfs/dbraw/zinc/07/79/13/1324077913.db2.gz GWBQUBPSPTXKSB-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929536 1325839523 /nfs/dbraw/zinc/83/95/23/1325839523.db2.gz RVBXZJYSVIVDCI-OSFIAYCASA-N 2 0 349.519 2.034 10 0 EEAERP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCF)[C@@H]3C2)CC1 ZINC001284094883 1326403936 /nfs/dbraw/zinc/40/39/36/1326403936.db2.gz BSURUASSZHBWJH-RCCFBDPRSA-N 2 0 339.499 2.295 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2cccc(OC)c2)CC1)[NH+](C)C ZINC001284956136 1326793627 /nfs/dbraw/zinc/79/36/27/1326793627.db2.gz APICZGZDORIYFE-IBGZPJMESA-N 2 0 345.487 2.284 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)cc1Cl ZINC001491682301 1330204409 /nfs/dbraw/zinc/20/44/09/1330204409.db2.gz KHYRSWGPRRDFEB-ZDUSSCGKSA-N 2 0 341.883 2.283 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001491685736 1330205757 /nfs/dbraw/zinc/20/57/57/1330205757.db2.gz YTZZYAHKRQWXPQ-KDOFPFPSSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1 ZINC001492024268 1330450797 /nfs/dbraw/zinc/45/07/97/1330450797.db2.gz OBGVAKGROGWBQY-VQIMIIECSA-N 2 0 329.488 2.055 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492165649 1331030782 /nfs/dbraw/zinc/03/07/82/1331030782.db2.gz ZCTZNIWJUIQGDX-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC2(CCC2)C1 ZINC001492298533 1331174301 /nfs/dbraw/zinc/17/43/01/1331174301.db2.gz GQFDNQDRMYAFBH-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316851147 1331445940 /nfs/dbraw/zinc/44/59/40/1331445940.db2.gz QDGPPVLJUACVFZ-YOEHRIQHSA-N 2 0 333.467 2.385 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCCCF ZINC001316739248 1331866925 /nfs/dbraw/zinc/86/69/25/1331866925.db2.gz OLBYMWUWDFDISW-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCCC(F)(F)F)C1 ZINC001316947245 1332009143 /nfs/dbraw/zinc/00/91/43/1332009143.db2.gz JITJCSAJEAVKIH-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC/C=C\c3ccccc3)C2)C1 ZINC001317344150 1332187866 /nfs/dbraw/zinc/18/78/66/1332187866.db2.gz PXZJNFMRHXPUKX-QXBNDQRDSA-N 2 0 341.499 2.480 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)no1 ZINC001317435752 1332239178 /nfs/dbraw/zinc/23/91/78/1332239178.db2.gz USIXJZVGLMNYOP-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC[NH2+]C/C=C\c1ccc(Cl)cc1)C(=O)C[NH+]1CCCC1 ZINC001317661888 1332356485 /nfs/dbraw/zinc/35/64/85/1332356485.db2.gz QFHAVEKTXREHSK-PLNGDYQASA-N 2 0 335.879 2.497 10 0 EEAERP COCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001317876936 1332439587 /nfs/dbraw/zinc/43/95/87/1332439587.db2.gz QYOMFKICDIBJBC-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC001318240899 1332495055 /nfs/dbraw/zinc/49/50/55/1332495055.db2.gz RZPALGIKHLWXOC-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)o1 ZINC001318822092 1332604613 /nfs/dbraw/zinc/60/46/13/1332604613.db2.gz AQOLGWXVDCUITE-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001318828904 1332606074 /nfs/dbraw/zinc/60/60/74/1332606074.db2.gz XDCRUCZTNKHLED-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]C[C@H]2CCCCO2)C1 ZINC001318846006 1332610298 /nfs/dbraw/zinc/61/02/98/1332610298.db2.gz QWUVEZXTDKZNDJ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001318850902 1332611361 /nfs/dbraw/zinc/61/13/61/1332611361.db2.gz PCQWWDHPMSLMHT-AEFFLSMTSA-N 2 0 332.492 2.140 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CCCC1)C12CCC[NH+](CCC1)C2 ZINC001319361868 1332690280 /nfs/dbraw/zinc/69/02/80/1332690280.db2.gz OMUHJYCAJRKCOM-UHFFFAOYSA-N 2 0 325.472 2.241 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001319533658 1332717096 /nfs/dbraw/zinc/71/70/96/1332717096.db2.gz JDHWWFLYTUNMAR-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccon1 ZINC001319759514 1332760909 /nfs/dbraw/zinc/76/09/09/1332760909.db2.gz ZPBZZQJZUOBQAO-ZWKOTPCHSA-N 2 0 348.491 2.410 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(CC)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001320694219 1332936701 /nfs/dbraw/zinc/93/67/01/1332936701.db2.gz FIJWWYAWXWKFHR-IBGZPJMESA-N 2 0 331.504 2.324 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001320757144 1332947041 /nfs/dbraw/zinc/94/70/41/1332947041.db2.gz YYOJOVJBMCXLRD-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001321187195 1333039953 /nfs/dbraw/zinc/03/99/53/1333039953.db2.gz SHPBCNHQOPRXDD-SNAWJCMRSA-N 2 0 345.487 2.332 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1 ZINC001321419769 1333101146 /nfs/dbraw/zinc/10/11/46/1333101146.db2.gz QBVPXIUSOAPTDQ-PLNGDYQASA-N 2 0 325.403 2.067 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001322543950 1333279912 /nfs/dbraw/zinc/27/99/12/1333279912.db2.gz PWUZUWOFEYGXFQ-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001322640911 1333299825 /nfs/dbraw/zinc/29/98/25/1333299825.db2.gz LWFLMJVXTYRLEO-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001322693151 1333308505 /nfs/dbraw/zinc/30/85/05/1333308505.db2.gz CODXGEAYJWUYEW-INIZCTEOSA-N 2 0 342.487 2.448 10 0 EEAERP CCCC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1CC ZINC001323163013 1333400829 /nfs/dbraw/zinc/40/08/29/1333400829.db2.gz RYONHKFEVGXJIE-AEFFLSMTSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001324728975 1333747689 /nfs/dbraw/zinc/74/76/89/1333747689.db2.gz VOVOSANGIHIIIN-YFVAEKQCSA-N 2 0 343.515 2.398 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919606 1333995593 /nfs/dbraw/zinc/99/55/93/1333995593.db2.gz HTWDTNXJJVWKOC-ZWKOTPCHSA-N 2 0 348.491 2.280 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001327048590 1334211096 /nfs/dbraw/zinc/21/10/96/1334211096.db2.gz LMGKRXXENSZJQA-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001327996622 1334375925 /nfs/dbraw/zinc/37/59/25/1334375925.db2.gz WZDQDNCUJOWHHH-KRWDZBQOSA-N 2 0 341.540 2.358 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001328643585 1334492909 /nfs/dbraw/zinc/49/29/09/1334492909.db2.gz CNIJVRBCBWYTAH-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cn1ccnc1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001330631863 1334879652 /nfs/dbraw/zinc/87/96/52/1334879652.db2.gz AZDHXYQTBMNSOS-QAQDUYKDSA-N 2 0 330.476 2.338 10 0 EEAERP Cc1ccccc1C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001330955602 1334934500 /nfs/dbraw/zinc/93/45/00/1334934500.db2.gz RTZDQBGVDQXDRN-KRWDZBQOSA-N 2 0 329.488 2.465 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cc(C)no1 ZINC001330986480 1334941330 /nfs/dbraw/zinc/94/13/30/1334941330.db2.gz DEJRNUGYFIVMNR-YOEHRIQHSA-N 2 0 336.480 2.232 10 0 EEAERP COCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331530736 1335031913 /nfs/dbraw/zinc/03/19/13/1335031913.db2.gz ONPTXYSNEUSKEL-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[N@@H+]2CC[C@@]3(NC(=O)CCCC[NH+](C)C)CCC[C@@H]23)o1 ZINC001332119603 1335734442 /nfs/dbraw/zinc/73/44/42/1335734442.db2.gz SROXWTBHQKUJGW-MJGOQNOKSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001332901230 1335927613 /nfs/dbraw/zinc/92/76/13/1335927613.db2.gz YKTLZHOJDFQAHU-SFHVURJKSA-N 2 0 331.504 2.445 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)C12CCC2 ZINC001335252829 1336355379 /nfs/dbraw/zinc/35/53/79/1336355379.db2.gz PZYMWQSVONIXMJ-UONOGXRCSA-N 2 0 341.377 2.295 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001480305380 1337980601 /nfs/dbraw/zinc/98/06/01/1337980601.db2.gz SKFLPNMJWRXLTJ-QGZVFWFLSA-N 2 0 347.478 2.292 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C/c1cccnc1 ZINC000847418952 1338047408 /nfs/dbraw/zinc/04/74/08/1338047408.db2.gz MMAHICPICKYADB-DQSGYLJSSA-N 2 0 344.503 2.359 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC001434325151 1341829317 /nfs/dbraw/zinc/82/93/17/1341829317.db2.gz YSLFGVQNDVYJSS-SJORKVTESA-N 2 0 330.476 2.239 10 0 EEAERP CNC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001434475602 1341852888 /nfs/dbraw/zinc/85/28/88/1341852888.db2.gz MTQPTHZCGDBPTE-HXUWFJFHSA-N 2 0 343.515 2.399 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)ccc1C ZINC001670233414 1356300959 /nfs/dbraw/zinc/30/09/59/1356300959.db2.gz RJNXZTFDLHLHEG-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC/C=C/c2ccccc2)C1 ZINC001499119841 1342107898 /nfs/dbraw/zinc/10/78/98/1342107898.db2.gz IPDRVQGRSORUSN-FQMXMGHCSA-N 2 0 327.472 2.232 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001673993846 1356768191 /nfs/dbraw/zinc/76/81/91/1356768191.db2.gz PCPBTIVYRVXFOJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP c1cnn(-c2cc(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)ccn2)c1 ZINC001560261133 1342510548 /nfs/dbraw/zinc/51/05/48/1342510548.db2.gz PUVACAWCNPTXFQ-UHFFFAOYSA-N 2 0 331.383 2.138 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001566956102 1342660002 /nfs/dbraw/zinc/66/00/02/1342660002.db2.gz SRWATASVPKYCTN-ROUUACIJSA-N 2 0 348.491 2.143 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCCC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001567267584 1342729274 /nfs/dbraw/zinc/72/92/74/1342729274.db2.gz ZBGBCHLFBYTWEM-GOSISDBHSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001567497448 1342770576 /nfs/dbraw/zinc/77/05/76/1342770576.db2.gz YGKCKOANBSKELK-IEBWSBKVSA-N 2 0 347.503 2.070 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001570022552 1343001752 /nfs/dbraw/zinc/00/17/52/1343001752.db2.gz WMLAOQLPECWQQZ-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCCC(C)(C)C)C1 ZINC001570292915 1343051999 /nfs/dbraw/zinc/05/19/99/1343051999.db2.gz QSJGWUYCTQEBCS-LJQANCHMSA-N 2 0 341.540 2.098 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001570361616 1343061435 /nfs/dbraw/zinc/06/14/35/1343061435.db2.gz HBLOZMBUEBJTTN-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CCCOc2ccccc2)CC1(C)C ZINC001570902480 1343136856 /nfs/dbraw/zinc/13/68/56/1343136856.db2.gz SXFGXUVLGSMDJK-SFHVURJKSA-N 2 0 347.503 2.234 10 0 EEAERP CCOCCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001571332315 1343185723 /nfs/dbraw/zinc/18/57/23/1343185723.db2.gz ARKGPEUQZXPFPN-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001676317922 1357133937 /nfs/dbraw/zinc/13/39/37/1357133937.db2.gz DJERZNCYEMRHMM-MAUKXSAKSA-N 2 0 335.467 2.289 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001677048228 1357269402 /nfs/dbraw/zinc/26/94/02/1357269402.db2.gz NOKAIDDLPCYIBK-KBPBESRZSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677262711 1357303509 /nfs/dbraw/zinc/30/35/09/1357303509.db2.gz BUQIWUFBUAFDLO-INIZCTEOSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC001677617064 1357374183 /nfs/dbraw/zinc/37/41/83/1357374183.db2.gz YAJPOCCKUBOKHY-HKUYNNGSSA-N 2 0 349.519 2.034 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](Cc3ccsc3)CC2)C1 ZINC001677621786 1357375616 /nfs/dbraw/zinc/37/56/16/1357375616.db2.gz XDRUYZNBXVVXBD-INIZCTEOSA-N 2 0 333.501 2.338 10 0 EEAERP CCOC(=O)COCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001645141797 1352773111 /nfs/dbraw/zinc/77/31/11/1352773111.db2.gz MEIKGEBXOOONEH-UHFFFAOYSA-N 2 0 349.475 2.200 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCO[C@@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001649454980 1353514037 /nfs/dbraw/zinc/51/40/37/1353514037.db2.gz BKCYLKQFHXRSRH-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC001649465964 1353520884 /nfs/dbraw/zinc/52/08/84/1353520884.db2.gz YMUNJUDARFQPTH-YJBOKZPZSA-N 2 0 335.467 2.147 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001660305455 1354435784 /nfs/dbraw/zinc/43/57/84/1354435784.db2.gz MOUSCJYUBCWJBS-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001661034184 1354576795 /nfs/dbraw/zinc/57/67/95/1354576795.db2.gz BAUDDAWOMFUDCO-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001661079131 1354587626 /nfs/dbraw/zinc/58/76/26/1354587626.db2.gz ULOSEMSLHPAVCV-MRXNPFEDSA-N 2 0 325.472 2.193 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001662729002 1354833113 /nfs/dbraw/zinc/83/31/13/1354833113.db2.gz URJMFTBMEKHIEC-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001663105643 1354915829 /nfs/dbraw/zinc/91/58/29/1354915829.db2.gz WPKDOJOFERPTLX-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1 ZINC001664036875 1355079332 /nfs/dbraw/zinc/07/93/32/1355079332.db2.gz XJVPPMXEMBCAGD-HNNXBMFYSA-N 2 0 331.451 2.200 10 0 EEAERP CN(CC[NH2+]Cc1cccc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664369939 1355148266 /nfs/dbraw/zinc/14/82/66/1355148266.db2.gz QUUDMXRSMHCZEX-GOSISDBHSA-N 2 0 325.456 2.340 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]CCF)C1)C12CCC[NH+](CCC1)C2 ZINC001666120683 1355458930 /nfs/dbraw/zinc/45/89/30/1355458930.db2.gz YQWIIXZGSJEHIV-MRXNPFEDSA-N 2 0 325.472 2.050 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001666140072 1355464965 /nfs/dbraw/zinc/46/49/65/1355464965.db2.gz PNAKBOXONINTLZ-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001666526142 1355539776 /nfs/dbraw/zinc/53/97/76/1355539776.db2.gz UAFMEZLTPLEHQW-AEFFLSMTSA-N 2 0 347.503 2.118 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)CCO1 ZINC001666735105 1355582665 /nfs/dbraw/zinc/58/26/65/1355582665.db2.gz WVJYRHKNGHUVNU-GOSISDBHSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668118028 1355876256 /nfs/dbraw/zinc/87/62/56/1355876256.db2.gz PPRBCSUQBMCOPO-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668274396 1355913444 /nfs/dbraw/zinc/91/34/44/1355913444.db2.gz RMHWTEUBKAPELU-GJZGRUSLSA-N 2 0 344.459 2.154 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC(F)(F)F)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668882866 1356033981 /nfs/dbraw/zinc/03/39/81/1356033981.db2.gz KXRHXGZPDLRWAQ-SZZVUECUSA-N 2 0 333.398 2.218 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883252 1356034379 /nfs/dbraw/zinc/03/43/79/1356034379.db2.gz NUISFNOSMYHBJC-FPXQDXNASA-N 2 0 342.487 2.169 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC001669091425 1356091579 /nfs/dbraw/zinc/09/15/79/1356091579.db2.gz LGFYYQHSCYYZRB-JXCVUKRWSA-N 2 0 345.487 2.050 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669118158 1356098950 /nfs/dbraw/zinc/09/89/50/1356098950.db2.gz HOOWYHQSFVSBHZ-WAYWQWQTSA-N 2 0 348.491 2.174 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669182235 1356117655 /nfs/dbraw/zinc/11/76/55/1356117655.db2.gz AXAVSFJYWBXMAF-XYBNCVKDSA-N 2 0 329.435 2.026 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001669207398 1356125540 /nfs/dbraw/zinc/12/55/40/1356125540.db2.gz MVEDLVUZZHCJJK-QGZUEGPWSA-N 2 0 336.505 2.026 10 0 EEAERP C[C@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001669293466 1356141342 /nfs/dbraw/zinc/14/13/42/1356141342.db2.gz NXVLUQXOOFXTDA-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)c1cnc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)o1 ZINC001670233483 1356300860 /nfs/dbraw/zinc/30/08/60/1356300860.db2.gz ULNNMYLLJSMFQP-UHFFFAOYSA-N 2 0 336.480 2.078 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@](C)(C[NH2+]C/C=C/Cl)C2)CC1 ZINC001671788737 1356414292 /nfs/dbraw/zinc/41/42/92/1356414292.db2.gz APKGAVGROWLVLJ-GALSZHCDSA-N 2 0 327.900 2.299 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672529293 1356545989 /nfs/dbraw/zinc/54/59/89/1356545989.db2.gz CFSLSZLKDJKONW-RCCFBDPRSA-N 2 0 339.524 2.207 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672536838 1356548293 /nfs/dbraw/zinc/54/82/93/1356548293.db2.gz DWCGSVJCHVFRQY-IRXDYDNUSA-N 2 0 348.491 2.280 10 0 EEAERP Cc1ccc(CC[NH2+]CC2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001674526316 1356854064 /nfs/dbraw/zinc/85/40/64/1356854064.db2.gz UZCSOCBRXYFRHU-ACBHZAAOSA-N 2 0 329.488 2.116 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCc1cccs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001674872602 1356905306 /nfs/dbraw/zinc/90/53/06/1356905306.db2.gz PBLFPRMZXBJKDN-HNNXBMFYSA-N 2 0 337.533 2.317 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001675898126 1357064815 /nfs/dbraw/zinc/06/48/15/1357064815.db2.gz KKWACHXLHADQHR-WMLDXEAASA-N 2 0 336.480 2.230 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001692115816 1404975677 /nfs/dbraw/zinc/97/56/77/1404975677.db2.gz RSDAAXVDOBGUBL-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698569406 1405010286 /nfs/dbraw/zinc/01/02/86/1405010286.db2.gz PWVQPJBEHBIIAI-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698860363 1405117284 /nfs/dbraw/zinc/11/72/84/1405117284.db2.gz NABCROOUVGIIIE-NVXWUHKLSA-N 2 0 335.467 2.147 10 0 EEAERP COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698954413 1405186767 /nfs/dbraw/zinc/18/67/67/1405186767.db2.gz UEFYXINAWSSWCQ-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106841 1405262073 /nfs/dbraw/zinc/26/20/73/1405262073.db2.gz PCJDWDAXFPQDIU-QFBILLFUSA-N 2 0 344.503 2.473 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2C)C1 ZINC001699131695 1405282664 /nfs/dbraw/zinc/28/26/64/1405282664.db2.gz VCPPRSIYEUKKDD-QFBILLFUSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)n1 ZINC001699136120 1405286135 /nfs/dbraw/zinc/28/61/35/1405286135.db2.gz ROCCXPASAKBIHB-ZBFHGGJFSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1c(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)ccc2c[nH+]cn21 ZINC001699578582 1405403439 /nfs/dbraw/zinc/40/34/39/1405403439.db2.gz GPYRPLKIKIKSFN-BGGTUALNSA-N 2 0 332.835 2.493 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001699758887 1405469536 /nfs/dbraw/zinc/46/95/36/1405469536.db2.gz VXSYZSRYJJARCC-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCCCC1 ZINC000919655201 770156107 /nfs/dbraw/zinc/15/61/07/770156107.db2.gz UEPJMMFQGGQNPL-MJGOQNOKSA-N 2 0 346.519 2.333 10 0 EEAERP OC[C@@H]1C[N@H+](Cc2ccc(Br)cc2)CC12CC[NH2+]CC2 ZINC000169782181 790574116 /nfs/dbraw/zinc/57/41/16/790574116.db2.gz NNVGFZYXDQVMQA-AWEZNQCLSA-N 2 0 339.277 2.243 10 0 EEAERP CN(CCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000705975223 784912795 /nfs/dbraw/zinc/91/27/95/784912795.db2.gz KXRJWNNGRBVIKB-HZPDHXFCSA-N 2 0 341.496 2.086 10 0 EEAERP C[C@]1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[NH+]2CCC1CC2 ZINC000912380448 788133652 /nfs/dbraw/zinc/13/36/52/788133652.db2.gz SIGBSSZYIZFZSW-FQEVSTJZSA-N 2 0 336.439 2.461 10 0 EEAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@]2(C)C1 ZINC000913284492 788761843 /nfs/dbraw/zinc/76/18/43/788761843.db2.gz USCMDYIPUDCLSC-AHRSYUTCSA-N 2 0 333.520 2.441 10 0 EEAERP C[N@H+](CCc1ccc(Br)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312262 789349587 /nfs/dbraw/zinc/34/95/87/789349587.db2.gz JNQWFVHUBQWERV-HNNXBMFYSA-N 2 0 339.277 2.302 10 0 EEAERP O=C1N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923381206 789464004 /nfs/dbraw/zinc/46/40/04/789464004.db2.gz SIOPTXNEWPZCDY-QZTJIDSGSA-N 2 0 346.519 2.177 10 0 EEAERP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923452836 789586351 /nfs/dbraw/zinc/58/63/51/789586351.db2.gz IEOOAKGAFXJIHW-IAGOWNOFSA-N 2 0 345.487 2.460 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000062527859 791646244 /nfs/dbraw/zinc/64/62/44/791646244.db2.gz AXBYYROKELGKLG-SFHVURJKSA-N 2 0 336.524 2.425 10 0 EEAERP Cn1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(Br)n1 ZINC000713842411 794744211 /nfs/dbraw/zinc/74/42/11/794744211.db2.gz DNZOCUYUAUQYIA-UHFFFAOYSA-N 2 0 341.297 2.490 10 0 EEAERP COCCN(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716692439 796443225 /nfs/dbraw/zinc/44/32/25/796443225.db2.gz MCDQYKHJUGHRGV-UFYCRDLUSA-N 2 0 331.504 2.207 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921842793 797084525 /nfs/dbraw/zinc/08/45/25/797084525.db2.gz MVXJLMNAHISPPM-UHFFFAOYSA-N 2 0 334.508 2.403 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000917598105 798291521 /nfs/dbraw/zinc/29/15/21/798291521.db2.gz YSZHWPBCDHXXGZ-QZTJIDSGSA-N 2 0 348.560 2.108 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921979001 798521461 /nfs/dbraw/zinc/52/14/61/798521461.db2.gz ASUGBGQWSIJLJL-FQEVSTJZSA-N 2 0 340.471 2.465 10 0 EEAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000922158412 799215362 /nfs/dbraw/zinc/21/53/62/799215362.db2.gz IYKXWVWZORGGDW-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806861786 812011777 /nfs/dbraw/zinc/01/17/77/812011777.db2.gz UUBNDTWBGWNIJV-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565942669 1125469056 /nfs/dbraw/zinc/46/90/56/1125469056.db2.gz CXCATYMSUDPVKA-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cncs1 ZINC001566498562 1125666608 /nfs/dbraw/zinc/66/66/08/1125666608.db2.gz KGTSHIREKGKOQU-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001436492444 1087993230 /nfs/dbraw/zinc/99/32/30/1087993230.db2.gz WGIKAIVQUXTVPL-FGTMMUONSA-N 2 0 339.524 2.111 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436668954 1088107935 /nfs/dbraw/zinc/10/79/35/1088107935.db2.gz ODZDQXZBOXMBFH-RHSMWYFYSA-N 2 0 336.480 2.048 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1)OC ZINC001436731763 1088207041 /nfs/dbraw/zinc/20/70/41/1088207041.db2.gz OXCHDOSXPCYMLO-DOTOQJQBSA-N 2 0 339.524 2.255 10 0 EEAERP CC[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC)OC ZINC001436861193 1088511805 /nfs/dbraw/zinc/51/18/05/1088511805.db2.gz NKYMQULSSVWGJQ-XMTFNYHQSA-N 2 0 339.524 2.207 10 0 EEAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001437029826 1088839105 /nfs/dbraw/zinc/83/91/05/1088839105.db2.gz CBJPBRBFESRTAU-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cncc(CN2CCCC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001437036170 1088877850 /nfs/dbraw/zinc/87/78/50/1088877850.db2.gz IRFWSJWYFOQFQD-APWZRJJASA-N 2 0 344.503 2.203 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001437044864 1088921996 /nfs/dbraw/zinc/92/19/96/1088921996.db2.gz YQGJNFQYUBWEAR-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001437131330 1089118616 /nfs/dbraw/zinc/11/86/16/1089118616.db2.gz ODOGZXNRRHZYIW-FOIQADDNSA-N 2 0 341.499 2.111 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC001437193894 1089239973 /nfs/dbraw/zinc/23/99/73/1089239973.db2.gz APFWMUPJLJVGSF-BQFCYCMXSA-N 2 0 347.503 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CCc2ccccc2)C1 ZINC001437202458 1089267924 /nfs/dbraw/zinc/26/79/24/1089267924.db2.gz KRTGPRRHSXFINJ-HKUYNNGSSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437217358 1089296295 /nfs/dbraw/zinc/29/62/95/1089296295.db2.gz UPBLUTCDKPWBFA-LBPRGKRZSA-N 2 0 338.521 2.086 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001437424011 1089711794 /nfs/dbraw/zinc/71/17/94/1089711794.db2.gz AFYBULONVMDVDV-SJLPKXTDSA-N 2 0 332.492 2.249 10 0 EEAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC001437621215 1090133015 /nfs/dbraw/zinc/13/30/15/1090133015.db2.gz OYVNRKIXGGVMIQ-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001437673635 1090202639 /nfs/dbraw/zinc/20/26/39/1090202639.db2.gz BMISSQZAOBTUPM-WMLDXEAASA-N 2 0 331.451 2.139 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCC(F)(F)F ZINC001437680633 1090215274 /nfs/dbraw/zinc/21/52/74/1090215274.db2.gz NNVFUZBMLXSRHO-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1ccc(C[N@H+](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001437786649 1090372620 /nfs/dbraw/zinc/37/26/20/1090372620.db2.gz SFQCHYUDHSOVCH-FQEVSTJZSA-N 2 0 341.499 2.417 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)cc1F ZINC001437938288 1090531461 /nfs/dbraw/zinc/53/14/61/1090531461.db2.gz DKKZNZCYAJEZET-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001438304131 1090783178 /nfs/dbraw/zinc/78/31/78/1090783178.db2.gz MLHRDGPKIMOPMF-MSOLQXFVSA-N 2 0 347.478 2.194 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccns1 ZINC001438320380 1090796135 /nfs/dbraw/zinc/79/61/35/1090796135.db2.gz DPGZPOPSHDIICM-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1ccc(Cl)cc1 ZINC001438369739 1090847184 /nfs/dbraw/zinc/84/71/84/1090847184.db2.gz PKRDEJLUXRGFLU-QGZVFWFLSA-N 2 0 337.895 2.463 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1F ZINC001438374370 1090853874 /nfs/dbraw/zinc/85/38/74/1090853874.db2.gz JHZJIDBITHWHML-XJKSGUPXSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1coc(C2CC2)n1 ZINC001438478486 1090982994 /nfs/dbraw/zinc/98/29/94/1090982994.db2.gz FTMUIGTXBQBNPK-RHSMWYFYSA-N 2 0 348.491 2.267 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1C[NH+](CCC(C)(C)C)CCO1 ZINC001438567554 1091057581 /nfs/dbraw/zinc/05/75/81/1091057581.db2.gz JXEBJTIGDJOCMV-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCC(C)(C)C)CCO1 ZINC001438576601 1091063590 /nfs/dbraw/zinc/06/35/90/1091063590.db2.gz XWZKZNMDSBWAEC-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001438666998 1091154624 /nfs/dbraw/zinc/15/46/24/1091154624.db2.gz WBPCHWHCQBDHRZ-LPHOPBHVSA-N 2 0 347.503 2.254 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1C ZINC001438716227 1091237495 /nfs/dbraw/zinc/23/74/95/1091237495.db2.gz SYSOUEZSMYLWPM-QAPCUYQASA-N 2 0 332.492 2.201 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438775000 1091363927 /nfs/dbraw/zinc/36/39/27/1091363927.db2.gz UNBQXYMENSFILH-GOEBONIOSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001438856532 1091491882 /nfs/dbraw/zinc/49/18/82/1091491882.db2.gz SHQXPWDUCPGFTP-DLBZAZTESA-N 2 0 349.523 2.132 10 0 EEAERP CC[C@@H](C(=O)N(C)CCN(C)Cc1nc2ccccc2o1)[NH+](C)C ZINC001438911384 1091571155 /nfs/dbraw/zinc/57/11/55/1091571155.db2.gz TUBXYYSUNZYXHH-HNNXBMFYSA-N 2 0 332.448 2.058 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001445773872 1091637342 /nfs/dbraw/zinc/63/73/42/1091637342.db2.gz HKABXCKLNSPKBY-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445785285 1091652015 /nfs/dbraw/zinc/65/20/15/1091652015.db2.gz ZHHGJIZWLPJIQY-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001439063550 1091707850 /nfs/dbraw/zinc/70/78/50/1091707850.db2.gz FJLWPAXTARPYIQ-NVXWUHKLSA-N 2 0 347.507 2.062 10 0 EEAERP C[C@@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439323651 1092000508 /nfs/dbraw/zinc/00/05/08/1092000508.db2.gz FWNXQTNWFWGJBA-NPEFWANSSA-N 2 0 329.488 2.477 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001446167042 1092221310 /nfs/dbraw/zinc/22/13/10/1092221310.db2.gz KIPHHURVVRBPSV-GOSISDBHSA-N 2 0 345.462 2.214 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1C ZINC001439496833 1092327533 /nfs/dbraw/zinc/32/75/33/1092327533.db2.gz PRGAKOJQRAFZQS-RBUKOAKNSA-N 2 0 329.488 2.240 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC001439533655 1092393506 /nfs/dbraw/zinc/39/35/06/1092393506.db2.gz WOLQCXSBQGMIQG-CABCVRRESA-N 2 0 343.462 2.487 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1conc1C)[NH+](CC)CC ZINC001439786281 1092744852 /nfs/dbraw/zinc/74/48/52/1092744852.db2.gz YQVHLABCCPITOB-IAGOWNOFSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001439863689 1092893970 /nfs/dbraw/zinc/89/39/70/1092893970.db2.gz DCUODLHQTFNCDB-PXNSSMCTSA-N 2 0 344.503 2.121 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439865716 1092897508 /nfs/dbraw/zinc/89/75/08/1092897508.db2.gz KNGIPTKMHZVHID-QFBILLFUSA-N 2 0 333.520 2.489 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001439882388 1092931826 /nfs/dbraw/zinc/93/18/26/1092931826.db2.gz AOSCYBCZFLWVHO-YQVWRLOYSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001439904337 1092967809 /nfs/dbraw/zinc/96/78/09/1092967809.db2.gz YMPVYIOFWTUIKG-SJLPKXTDSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@](C)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001439943810 1093049622 /nfs/dbraw/zinc/04/96/22/1093049622.db2.gz AULKSLWGSLQABD-LPHOPBHVSA-N 2 0 348.491 2.043 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccn1)C2 ZINC001440111615 1093173441 /nfs/dbraw/zinc/17/34/41/1093173441.db2.gz OGKRUFYSAWNDKC-UHOSZYNNSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC3(CN(C(=O)C[N@@H+](C)C(C)C)C3)CC2)o1 ZINC001440239747 1093327342 /nfs/dbraw/zinc/32/73/42/1093327342.db2.gz KTXSYWMQVQTMPU-UHFFFAOYSA-N 2 0 348.491 2.056 10 0 EEAERP Cc1cccc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)c1 ZINC001440363060 1093526588 /nfs/dbraw/zinc/52/65/88/1093526588.db2.gz YTSKZHSUWZQJIY-SFHVURJKSA-N 2 0 329.488 2.465 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1c1ccccc1 ZINC001440367687 1093534832 /nfs/dbraw/zinc/53/48/32/1093534832.db2.gz FONAPNFINZRHRF-RBUKOAKNSA-N 2 0 329.488 2.322 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001448543779 1093584498 /nfs/dbraw/zinc/58/44/98/1093584498.db2.gz FCZUJNTXOUOFGW-UHFFFAOYSA-N 2 0 347.503 2.378 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001440474487 1093702045 /nfs/dbraw/zinc/70/20/45/1093702045.db2.gz PIEUZAQHWAJYGE-WCLQSUPFSA-N 2 0 327.900 2.442 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001440474482 1093702268 /nfs/dbraw/zinc/70/22/68/1093702268.db2.gz PIEUZAQHWAJYGE-IZIDJEDMSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001448663778 1093731995 /nfs/dbraw/zinc/73/19/95/1093731995.db2.gz ZUFAIELWJKTSPT-YOEHRIQHSA-N 2 0 335.517 2.069 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001440520110 1093770886 /nfs/dbraw/zinc/77/08/86/1093770886.db2.gz PXKQIFXRIBYBPU-AWEZNQCLSA-N 2 0 335.414 2.348 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1scnc1C ZINC001448787330 1093866730 /nfs/dbraw/zinc/86/67/30/1093866730.db2.gz ZSAWJNLFRCXCAZ-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@H+](CCF)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001440708358 1093957188 /nfs/dbraw/zinc/95/71/88/1093957188.db2.gz XULKNNYNYVLNBE-HZPDHXFCSA-N 2 0 327.488 2.389 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001449016911 1094018864 /nfs/dbraw/zinc/01/88/64/1094018864.db2.gz NEJZSBOGQLKSSH-WBVHZDCISA-N 2 0 333.476 2.114 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CCCF)CC2)CC(C)(C)C ZINC001449017432 1094019308 /nfs/dbraw/zinc/01/93/08/1094019308.db2.gz UGJNLBLKLFZHTN-YJBOKZPZSA-N 2 0 327.488 2.437 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001440791553 1094033310 /nfs/dbraw/zinc/03/33/10/1094033310.db2.gz FUYXLIBBRGPNQW-JKSUJKDBSA-N 2 0 347.503 2.300 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001440800741 1094045125 /nfs/dbraw/zinc/04/51/25/1094045125.db2.gz RVHBPQABEKAETJ-JKSUJKDBSA-N 2 0 347.503 2.471 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCCC2)on1 ZINC001440858572 1094119197 /nfs/dbraw/zinc/11/91/97/1094119197.db2.gz MVOLZUISWGKWMS-HOTGVXAUSA-N 2 0 336.480 2.232 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccccc1F)C(=O)C12CC[NH+](CC1)C2 ZINC001440880824 1094139428 /nfs/dbraw/zinc/13/94/28/1094139428.db2.gz AXGWZOSRAKYZLQ-UHFFFAOYSA-N 2 0 347.478 2.496 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1C ZINC001441040425 1094334811 /nfs/dbraw/zinc/33/48/11/1094334811.db2.gz VQIKUXLXMRAFQR-CRAIPNDOSA-N 2 0 332.492 2.201 10 0 EEAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1COCCN1C1CCCC1)C(C)C ZINC001441083647 1094378088 /nfs/dbraw/zinc/37/80/88/1094378088.db2.gz REBYHQHNJSRJKY-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncccc1C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001441108636 1094420982 /nfs/dbraw/zinc/42/09/82/1094420982.db2.gz ONLUVSYQSSUAFI-GOSISDBHSA-N 2 0 344.503 2.393 10 0 EEAERP CCc1cccc(C[NH+]2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001441194844 1094553999 /nfs/dbraw/zinc/55/39/99/1094553999.db2.gz IYNUISBIJLPQEQ-INIZCTEOSA-N 2 0 329.488 2.281 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248326 1094639404 /nfs/dbraw/zinc/63/94/04/1094639404.db2.gz ANBSHOQQNTTXGT-PMACEKPBSA-N 2 0 343.515 2.228 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001441328868 1094787886 /nfs/dbraw/zinc/78/78/86/1094787886.db2.gz JPZWZNCQZZKZGS-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CCCF)C[C@@H]2C1 ZINC001441345058 1094853655 /nfs/dbraw/zinc/85/36/55/1094853655.db2.gz ZDTKVGSIBHTJQL-YESZJQIVSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001441436573 1095046554 /nfs/dbraw/zinc/04/65/54/1095046554.db2.gz GKORNQUURJAIGJ-BZSNNMDCSA-N 2 0 337.508 2.058 10 0 EEAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001441486768 1095163307 /nfs/dbraw/zinc/16/33/07/1095163307.db2.gz LSALFMHSVVMWRZ-GASCZTMLSA-N 2 0 348.397 2.100 10 0 EEAERP Cc1csc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)n1 ZINC001441506452 1095193951 /nfs/dbraw/zinc/19/39/51/1095193951.db2.gz HKOJNLARSOTOOO-OKILXGFUSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC001441537323 1095251377 /nfs/dbraw/zinc/25/13/77/1095251377.db2.gz YIBFINXTTKUIEV-HIFRSBDPSA-N 2 0 338.521 2.261 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441570321 1095336400 /nfs/dbraw/zinc/33/64/00/1095336400.db2.gz OAAVLLQRFDKUJL-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001441656962 1095620526 /nfs/dbraw/zinc/62/05/26/1095620526.db2.gz VSCDGKYDJBFOFS-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](CO)[NH2+]CCC(C)(C)C ZINC001441714638 1095693948 /nfs/dbraw/zinc/69/39/48/1095693948.db2.gz GJKVZAVPNUCRPM-OAHLLOKOSA-N 2 0 341.540 2.142 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCc1c(F)cccc1F ZINC001441850745 1095938407 /nfs/dbraw/zinc/93/84/07/1095938407.db2.gz IUTWEUBECPVLPV-SUMWQHHRSA-N 2 0 339.430 2.086 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C(C)(C)C2)CC1 ZINC001441919608 1096101432 /nfs/dbraw/zinc/10/14/32/1096101432.db2.gz PGRNFWDIIRPSKL-OAHLLOKOSA-N 2 0 335.517 2.417 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1Cl ZINC001442016052 1096221678 /nfs/dbraw/zinc/22/16/78/1096221678.db2.gz YHTNBCKJYQHCSV-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)ns1)C(C)(C)C)[NH+](C)C ZINC001442139746 1096386466 /nfs/dbraw/zinc/38/64/66/1096386466.db2.gz DNOYNEPYYQGXGK-CABCVRRESA-N 2 0 340.537 2.412 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)c1 ZINC001442412866 1096734148 /nfs/dbraw/zinc/73/41/48/1096734148.db2.gz KTFMYEJDODXFLS-OAHLLOKOSA-N 2 0 333.476 2.289 10 0 EEAERP CC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2c1c(F)ccc2F ZINC001442570313 1096933955 /nfs/dbraw/zinc/93/39/55/1096933955.db2.gz QPPXPGHNJLPWPX-INIZCTEOSA-N 2 0 339.430 2.342 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC001442813261 1097199008 /nfs/dbraw/zinc/19/90/08/1097199008.db2.gz HZQDXRZLUPCVAX-WMLDXEAASA-N 2 0 335.517 2.479 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001442866702 1097260056 /nfs/dbraw/zinc/26/00/56/1097260056.db2.gz AKUUMHIBWMXVLX-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@@H](c1cccc(F)c1)[N@H+](CCNC(=O)Cn1ccnc1)C1CC1 ZINC001443070804 1097481798 /nfs/dbraw/zinc/48/17/98/1097481798.db2.gz ZVXFLRDANOAYNL-AWEZNQCLSA-N 2 0 330.407 2.364 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001443187611 1097630458 /nfs/dbraw/zinc/63/04/58/1097630458.db2.gz XPWILIJCVRSAPU-NZSAHSFTSA-N 2 0 344.503 2.235 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCCF)C2)C1 ZINC001443320494 1097810041 /nfs/dbraw/zinc/81/00/41/1097810041.db2.gz IVUBUVWXAZVPMV-DLBZAZTESA-N 2 0 327.488 2.248 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCC1CCOCC1 ZINC001443919971 1098441064 /nfs/dbraw/zinc/44/10/64/1098441064.db2.gz SCGUMHCNYKYWOG-ROUUACIJSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ncoc1C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001444074169 1098598230 /nfs/dbraw/zinc/59/82/30/1098598230.db2.gz UHOSEQCYWKEJJQ-MRXNPFEDSA-N 2 0 348.491 2.376 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001479677050 1098731289 /nfs/dbraw/zinc/73/12/89/1098731289.db2.gz YYDYJXPBYZVAAM-HKUYNNGSSA-N 2 0 347.503 2.249 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001479695450 1098764010 /nfs/dbraw/zinc/76/40/10/1098764010.db2.gz LIKQHHCVNSQSGG-SFHVURJKSA-N 2 0 332.492 2.283 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC001444207296 1098766840 /nfs/dbraw/zinc/76/68/40/1098766840.db2.gz IIBOYAXQSASQPR-UHFFFAOYSA-N 2 0 344.434 2.078 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001444311313 1098870528 /nfs/dbraw/zinc/87/05/28/1098870528.db2.gz RSCSTHOMJKSFLI-DYVFJYSZSA-N 2 0 335.517 2.240 10 0 EEAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1ccccc1F ZINC001479756864 1098910896 /nfs/dbraw/zinc/91/08/96/1098910896.db2.gz FBJGEAFIPUGBIQ-AEFFLSMTSA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1nc2ccccc2o1)[NH+](C)C ZINC001479797131 1099015464 /nfs/dbraw/zinc/01/54/64/1099015464.db2.gz TYKBLBNFOFFJRC-HNNXBMFYSA-N 2 0 332.448 2.106 10 0 EEAERP COc1cc(C[N@H+](C)CCCNC(=O)C[NH+]2CC[C@@H](C)C2)ccc1C ZINC001479797075 1099017133 /nfs/dbraw/zinc/01/71/33/1099017133.db2.gz RLHCBNQUHPOFHX-MRXNPFEDSA-N 2 0 347.503 2.284 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1F ZINC001479859196 1099164832 /nfs/dbraw/zinc/16/48/32/1099164832.db2.gz ACTCJNKSSUTSPE-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001479894973 1099273165 /nfs/dbraw/zinc/27/31/65/1099273165.db2.gz AJCGLRDDFFFSHP-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001479912247 1099313658 /nfs/dbraw/zinc/31/36/58/1099313658.db2.gz ZPUZPRZWLSDPMP-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001444647848 1099479782 /nfs/dbraw/zinc/47/97/82/1099479782.db2.gz GOWOWWHTZIXKBY-ZDUSSCGKSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cs1 ZINC001480058467 1099578101 /nfs/dbraw/zinc/57/81/01/1099578101.db2.gz DQIKCCFWJRNTFW-PBHICJAKSA-N 2 0 335.517 2.383 10 0 EEAERP CCc1ccccc1C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480063049 1099591411 /nfs/dbraw/zinc/59/14/11/1099591411.db2.gz YJBRFVPWDXZCSE-RTBURBONSA-N 2 0 329.488 2.185 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444765149 1099658833 /nfs/dbraw/zinc/65/88/33/1099658833.db2.gz XGTVLKARYYQFBP-WDSOQIARSA-N 2 0 346.519 2.432 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cncs2)[C@@H](C)C1 ZINC001444797976 1099715652 /nfs/dbraw/zinc/71/56/52/1099715652.db2.gz XKAAOUNWPPQIAG-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001480167296 1099742388 /nfs/dbraw/zinc/74/23/88/1099742388.db2.gz LMHCQSKVGCIIAX-IYARVYRRSA-N 2 0 332.492 2.167 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001480228342 1099850661 /nfs/dbraw/zinc/85/06/61/1099850661.db2.gz VYFHVTGWJADDTL-MHORFTMASA-N 2 0 337.508 2.055 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001480299260 1100015513 /nfs/dbraw/zinc/01/55/13/1100015513.db2.gz APMCBRLRJKAEDJ-CYBMUJFWSA-N 2 0 336.307 2.475 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001480571881 1100415371 /nfs/dbraw/zinc/41/53/71/1100415371.db2.gz OEGPXRKCWYOEJI-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCc2c1cccc2F ZINC001480574085 1100418316 /nfs/dbraw/zinc/41/83/16/1100418316.db2.gz LNRGHEDMCQMDGH-SUMWQHHRSA-N 2 0 331.435 2.003 10 0 EEAERP C[C@H](C[NH2+]CCCCc1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229871 1100787496 /nfs/dbraw/zinc/78/74/96/1100787496.db2.gz MCBFDARHKUOINO-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCCC1 ZINC001496319048 1100912097 /nfs/dbraw/zinc/91/20/97/1100912097.db2.gz XKENXHUWBLEKDH-ASQNPNNHSA-N 2 0 327.900 2.488 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001496375890 1100968794 /nfs/dbraw/zinc/96/87/94/1100968794.db2.gz OSIFHUIHUAYDAK-MAUKXSAKSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@](C)(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001446554039 1101027701 /nfs/dbraw/zinc/02/77/01/1101027701.db2.gz DRJZLANZRHLRAC-XLIONFOSSA-N 2 0 329.488 2.417 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(F)c2F)C1 ZINC001446614466 1101116794 /nfs/dbraw/zinc/11/67/94/1101116794.db2.gz QLTKZMKTFNEXLX-SFHVURJKSA-N 2 0 339.430 2.245 10 0 EEAERP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001495473964 1101184386 /nfs/dbraw/zinc/18/43/86/1101184386.db2.gz TXSVLWZPIHEFJQ-BRWVUGGUSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001446723489 1101293262 /nfs/dbraw/zinc/29/32/62/1101293262.db2.gz GRHGZBMSXRQOPR-JKSUJKDBSA-N 2 0 345.478 2.448 10 0 EEAERP CN(CC[N@H+](C)CCc1ccns1)C(=O)C[NH+](C)CC(C)(C)C ZINC001496780193 1101453078 /nfs/dbraw/zinc/45/30/78/1101453078.db2.gz CXILPIJGRSBYNO-UHFFFAOYSA-N 2 0 340.537 2.054 10 0 EEAERP CN(CC[N@H+](C)CCCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001496816029 1101522208 /nfs/dbraw/zinc/52/22/08/1101522208.db2.gz AZMXEZUHMRQDIU-UHFFFAOYSA-N 2 0 329.488 2.105 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCc1ccccc1Cl ZINC001495783557 1101592256 /nfs/dbraw/zinc/59/22/56/1101592256.db2.gz AZKKNNYLWCFTKI-HNNXBMFYSA-N 2 0 349.906 2.320 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001446949519 1101643029 /nfs/dbraw/zinc/64/30/29/1101643029.db2.gz QNVCVTTULTZNAL-QFBILLFUSA-N 2 0 346.519 2.367 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1C ZINC001497156341 1102042312 /nfs/dbraw/zinc/04/23/12/1102042312.db2.gz ULMLDLNFHOXYCI-WMLDXEAASA-N 2 0 333.476 2.082 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001496097580 1102053745 /nfs/dbraw/zinc/05/37/45/1102053745.db2.gz IDTXUWOIFOGFTM-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP COC[C@H](C)[N@@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001447155751 1102102212 /nfs/dbraw/zinc/10/22/12/1102102212.db2.gz PJGDMXVWAQRPHM-INIZCTEOSA-N 2 0 347.503 2.038 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2conc2C)C1 ZINC001496142470 1102127934 /nfs/dbraw/zinc/12/79/34/1102127934.db2.gz AVBPWDIRBVXAPZ-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)COC2CC[NH+](C)CC2)cc1 ZINC001496196512 1102203847 /nfs/dbraw/zinc/20/38/47/1102203847.db2.gz ZZJZWTBINAWQQL-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@H](CC[NH2+][C@H](C)c1cc(F)ccc1F)NC(=O)CC[NH+](C)C ZINC001497262625 1102216237 /nfs/dbraw/zinc/21/62/37/1102216237.db2.gz IXZSIQPHCWAIIH-CHWSQXEVSA-N 2 0 327.419 2.462 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497296183 1102270766 /nfs/dbraw/zinc/27/07/66/1102270766.db2.gz BAPSSJGRRAQTDO-MRXNPFEDSA-N 2 0 332.492 2.106 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001497305193 1102287620 /nfs/dbraw/zinc/28/76/20/1102287620.db2.gz VPALRVMYKLLLLG-NVXWUHKLSA-N 2 0 333.476 2.021 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001447313541 1102431002 /nfs/dbraw/zinc/43/10/02/1102431002.db2.gz XWSFSPFAASBYAN-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP CCC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001447412239 1102610545 /nfs/dbraw/zinc/61/05/45/1102610545.db2.gz JNYKHPUTBNMLPQ-MRXNPFEDSA-N 2 0 334.464 2.020 10 0 EEAERP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001497589220 1102708350 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ZINC001498051832 1106844277 /nfs/dbraw/zinc/84/42/77/1106844277.db2.gz YLKCBCZHLQPPCQ-ZFWWWQNUSA-N 2 0 336.480 2.014 10 0 EEAERP CO[C@@H](C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001480682429 1106874160 /nfs/dbraw/zinc/87/41/60/1106874160.db2.gz GCVVTOYFKOSKFQ-MJGOQNOKSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498084894 1106900976 /nfs/dbraw/zinc/90/09/76/1106900976.db2.gz JDOPBQVICVJDDM-KNXALSJPSA-N 2 0 337.414 2.141 10 0 EEAERP CC[C@H](C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001480716800 1106953502 /nfs/dbraw/zinc/95/35/02/1106953502.db2.gz MZXYQSBVHFFBGK-LPHOPBHVSA-N 2 0 331.504 2.433 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001480806502 1107152050 /nfs/dbraw/zinc/15/20/50/1107152050.db2.gz GHTKQHBUHJZZHG-UZLBHIALSA-N 2 0 345.487 2.166 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001493110454 1107513416 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348.491 2.187 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC001498641714 1107873959 /nfs/dbraw/zinc/87/39/59/1107873959.db2.gz NIOPAZZZQFIEDD-KRWDZBQOSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C(C)(C)c2cnc[nH]2)s1 ZINC001498641719 1107874539 /nfs/dbraw/zinc/87/45/39/1107874539.db2.gz NKVOPEIRLIUYTL-UHFFFAOYSA-N 2 0 335.477 2.091 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001498736405 1107997458 /nfs/dbraw/zinc/99/74/58/1107997458.db2.gz QGTDNWLOZUTPOJ-IRXDYDNUSA-N 2 0 337.414 2.043 10 0 EEAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@@H]1CCn2c(C)ncc2C1)C1CC1 ZINC001493415278 1108113472 /nfs/dbraw/zinc/11/34/72/1108113472.db2.gz XQIMDBAZXZTLHL-GOEBONIOSA-N 2 0 332.492 2.381 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]Cc2conc2C)C2CC2)C1 ZINC001498808640 1108143848 /nfs/dbraw/zinc/14/38/48/1108143848.db2.gz WXDLDHFEQROIPJ-FUHWJXTLSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]C[C@H]2CC(C)(C)CO2)ccc2c[nH+]cn21 ZINC001493609301 1108396894 /nfs/dbraw/zinc/39/68/94/1108396894.db2.gz MTPWOMWOXXJJQN-MRXNPFEDSA-N 2 0 344.459 2.119 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nsc2ccccc12)[NH+](C)C ZINC001493700192 1108528834 /nfs/dbraw/zinc/52/88/34/1108528834.db2.gz TXUNGSYZYQVAGK-HNNXBMFYSA-N 2 0 334.489 2.185 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC001493806861 1108687750 /nfs/dbraw/zinc/68/77/50/1108687750.db2.gz QSQBTAKCXPQLFE-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP CO[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCOC1 ZINC001460804326 1110324737 /nfs/dbraw/zinc/32/47/37/1110324737.db2.gz NSJDUFLWAXBJHU-MXEMCNAFSA-N 2 0 344.499 2.492 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460944076 1110329220 /nfs/dbraw/zinc/32/92/20/1110329220.db2.gz NLQBWLCKJATUMO-KDURUIRLSA-N 2 0 337.552 2.277 10 0 EEAERP O=C(NCC[NH+]1CCC1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001471048036 1110516260 /nfs/dbraw/zinc/51/62/60/1110516260.db2.gz YNRKXVBTTIQKBZ-IBGZPJMESA-N 2 0 344.503 2.436 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+][C@@H]3CCc4ccccc43)CC2)CCC1 ZINC001499249667 1112200254 /nfs/dbraw/zinc/20/02/54/1112200254.db2.gz SOSOVUHSOJGBPN-QGZVFWFLSA-N 2 0 327.472 2.397 10 0 EEAERP CC(C)c1cccc(C[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)n1 ZINC001499330927 1112237191 /nfs/dbraw/zinc/23/71/91/1112237191.db2.gz XQBAVSJTAMYUAD-UHFFFAOYSA-N 2 0 344.503 2.285 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1F ZINC001499448898 1112291639 /nfs/dbraw/zinc/29/16/39/1112291639.db2.gz WINRMVDXHPLDBX-ZDUSSCGKSA-N 2 0 337.414 2.360 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001499844653 1112509954 /nfs/dbraw/zinc/50/99/54/1112509954.db2.gz PAJKQNJMHZEPFU-ZIAGYGMSSA-N 2 0 339.430 2.386 10 0 EEAERP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH2+]CCF ZINC001499896762 1112532038 /nfs/dbraw/zinc/53/20/38/1112532038.db2.gz OGHFNAWPJCNLMP-RDJZCZTQSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC[C@@H](C)F)CC1 ZINC001499939115 1112547931 /nfs/dbraw/zinc/54/79/31/1112547931.db2.gz JMQIPFJHXMDMQH-WBVHZDCISA-N 2 0 327.488 2.436 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001501577943 1113389034 /nfs/dbraw/zinc/38/90/34/1113389034.db2.gz FRNRIRMNVFKOGV-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]Cc2cncs2)C1)C12CCC[NH+]1CCC2 ZINC001501585448 1113391276 /nfs/dbraw/zinc/39/12/76/1113391276.db2.gz CAWWMSILQZRZNG-OAHLLOKOSA-N 2 0 348.516 2.100 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001501652012 1113416092 /nfs/dbraw/zinc/41/60/92/1113416092.db2.gz VLKHPTJJFDOMEE-HRYODUOUSA-N 2 0 336.307 2.474 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccns2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008918 1113556614 /nfs/dbraw/zinc/55/66/14/1113556614.db2.gz SOXDWUDHOCPKSH-GDBMZVCRSA-N 2 0 348.516 2.289 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008596 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ZINC000367914266 166020013 /nfs/dbraw/zinc/02/00/13/166020013.db2.gz BIIFZDSTHQLSIK-CVEARBPZSA-N 2 0 334.508 2.129 10 0 EEAERP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423508337 287053670 /nfs/dbraw/zinc/05/36/70/287053670.db2.gz QOOVSPWUIXFZHX-KDOFPFPSSA-N 2 0 347.484 2.465 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000376019706 167246849 /nfs/dbraw/zinc/24/68/49/167246849.db2.gz RHHBBINESJTZBQ-AQEOSJORSA-N 2 0 336.524 2.375 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCCC1 ZINC000376631094 167364254 /nfs/dbraw/zinc/36/42/54/167364254.db2.gz ZDCIPXFEJDFKCS-SFHVURJKSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249512490 287352468 /nfs/dbraw/zinc/35/24/68/287352468.db2.gz UXPCSWYMGJCCAH-SJLPKXTDSA-N 2 0 332.492 2.320 10 0 EEAERP C[C@H]([NH2+]C1CCN(C(N)=O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272693324 269009777 /nfs/dbraw/zinc/00/97/77/269009777.db2.gz XJLKOSVDUHGXPS-DOTOQJQBSA-N 2 0 330.476 2.030 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000271535081 274139792 /nfs/dbraw/zinc/13/97/92/274139792.db2.gz SNQREDCNDLRYFS-SUMDDJOVSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000271535077 274139812 /nfs/dbraw/zinc/13/98/12/274139812.db2.gz SNQREDCNDLRYFS-AYBZRNKSSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272392645 274170189 /nfs/dbraw/zinc/17/01/89/274170189.db2.gz JMIZSEYEGGZFLK-WDSOQIARSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC1(C)C ZINC000487274067 278343948 /nfs/dbraw/zinc/34/39/48/278343948.db2.gz FTLYGFFYOWWFCQ-IAGOWNOFSA-N 2 0 331.508 2.403 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C2 ZINC000297030267 294133974 /nfs/dbraw/zinc/13/39/74/294133974.db2.gz LXIDKVLEFQIWEQ-TZOQOTQKSA-N 2 0 342.487 2.356 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC000423385435 294677236 /nfs/dbraw/zinc/67/72/36/294677236.db2.gz KQGPIAFAYRIWTQ-QXSJWSMHSA-N 2 0 349.441 2.007 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416792035 313317881 /nfs/dbraw/zinc/31/78/81/313317881.db2.gz XOEHNODCDZPIOO-RTBURBONSA-N 2 0 342.487 2.359 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000416845932 313334246 /nfs/dbraw/zinc/33/42/46/313334246.db2.gz SMFVYQFFCPTSME-QGTPRVQTSA-N 2 0 332.492 2.149 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)CC(C)C ZINC000416954566 313371254 /nfs/dbraw/zinc/37/12/54/313371254.db2.gz LPISGBYXQBLWQD-FGTMMUONSA-N 2 0 338.540 2.384 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416974050 313378644 /nfs/dbraw/zinc/37/86/44/313378644.db2.gz WCPIAIOHMCGDGW-OAGGEKHMSA-N 2 0 332.492 2.453 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000416985221 313383506 /nfs/dbraw/zinc/38/35/06/313383506.db2.gz PPUPIGSZDPGXQL-MAUKXSAKSA-N 2 0 332.492 2.326 10 0 EEAERP CC[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417014829 313395056 /nfs/dbraw/zinc/39/50/56/313395056.db2.gz LMIVITIZJLGISM-KFKAGJAMSA-N 2 0 344.503 2.121 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000417025084 313399763 /nfs/dbraw/zinc/39/97/63/313399763.db2.gz XNNJAXOIRLFTLO-MSOLQXFVSA-N 2 0 332.492 2.496 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418030275 313694043 /nfs/dbraw/zinc/69/40/43/313694043.db2.gz JJNBKNCIOLJVPL-MJVIPROJSA-N 2 0 346.397 2.343 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000418469438 313822524 /nfs/dbraw/zinc/82/25/24/313822524.db2.gz UJAHEVFEAKTZJB-OAHLLOKOSA-N 2 0 330.476 2.476 10 0 EEAERP C[C@@H]1CCC[C@@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000525437326 317058486 /nfs/dbraw/zinc/05/84/86/317058486.db2.gz JSEHSALTIFDOCR-SJORKVTESA-N 2 0 326.529 2.338 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)nc2)[C@@H](C)C1 ZINC000527988975 317299064 /nfs/dbraw/zinc/29/90/64/317299064.db2.gz WLCCWGWEDSOHPB-FUHWJXTLSA-N 2 0 335.492 2.359 10 0 EEAERP CN1C2(CCC2)COC[C@]1(CO)CNc1ccnc2ccsc21 ZINC000528131860 317325254 /nfs/dbraw/zinc/32/52/54/317325254.db2.gz MCYKPYBXVZBJNQ-QGZVFWFLSA-N 2 0 333.457 2.324 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000541380967 318097754 /nfs/dbraw/zinc/09/77/54/318097754.db2.gz PEKRMVPTECLTAJ-AEFFLSMTSA-N 2 0 328.416 2.003 10 0 EEAERP COc1ccc2occ(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2c1 ZINC000548826677 318414740 /nfs/dbraw/zinc/41/47/40/318414740.db2.gz KKAICTDIUARSHA-UHFFFAOYSA-N 2 0 333.432 2.007 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000563604501 319029203 /nfs/dbraw/zinc/02/92/03/319029203.db2.gz PYLLYUXFQWACMJ-WDSOQIARSA-N 2 0 344.503 2.420 10 0 EEAERP COc1ccc([C@@H](C[NH3+])CN2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000564212346 319072810 /nfs/dbraw/zinc/07/28/10/319072810.db2.gz SYTWUPJCNVDZPD-FXAWDEMLSA-N 2 0 325.456 2.296 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000564323297 319078241 /nfs/dbraw/zinc/07/82/41/319078241.db2.gz HVVLOKXTTOHUTQ-VQIMIIECSA-N 2 0 325.460 2.492 10 0 EEAERP COc1cncc(/C=C/CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000574197621 320004665 /nfs/dbraw/zinc/00/46/65/320004665.db2.gz VTIAZGDXPGRFRS-FNORWQNLSA-N 2 0 346.519 2.451 10 0 EEAERP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000574786978 320058073 /nfs/dbraw/zinc/05/80/73/320058073.db2.gz HHWXRAPPWWDFLR-XKGZKEIXSA-N 2 0 344.503 2.463 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000576611488 320188920 /nfs/dbraw/zinc/18/89/20/320188920.db2.gz BTQUCCMTUIIGBU-IBGZPJMESA-N 2 0 325.456 2.497 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000577229911 320243833 /nfs/dbraw/zinc/24/38/33/320243833.db2.gz DXPLYANVTIZYGP-MRXNPFEDSA-N 2 0 330.476 2.109 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000578549780 323653389 /nfs/dbraw/zinc/65/33/89/323653389.db2.gz ZSRVVNRVFWZRJV-IAGOWNOFSA-N 2 0 329.492 2.259 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000582170708 324394482 /nfs/dbraw/zinc/39/44/82/324394482.db2.gz LKWHERPBQIIVME-LPHOPBHVSA-N 2 0 344.503 2.470 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000358671317 465255649 /nfs/dbraw/zinc/25/56/49/465255649.db2.gz UHCHZNRYONWULE-GOSISDBHSA-N 2 0 348.466 2.380 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091281275 462868898 /nfs/dbraw/zinc/86/88/98/462868898.db2.gz FCXOGHJZPOXTOV-CQSZACIVSA-N 2 0 347.484 2.246 10 0 EEAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(OC)c1 ZINC000121111472 463081456 /nfs/dbraw/zinc/08/14/56/463081456.db2.gz CUVCAFBJCRGQOV-HNNXBMFYSA-N 2 0 336.476 2.228 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000121439641 463136229 /nfs/dbraw/zinc/13/62/29/463136229.db2.gz LGSPXCKLARZFBF-YJBOKZPZSA-N 2 0 330.476 2.073 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000069500965 463261224 /nfs/dbraw/zinc/26/12/24/463261224.db2.gz HTKFIMIWCUAJAM-IBGZPJMESA-N 2 0 345.487 2.123 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000163318375 463580337 /nfs/dbraw/zinc/58/03/37/463580337.db2.gz QMIGIHICSCAIPV-OAQYLSRUSA-N 2 0 345.531 2.394 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000579572200 468377789 /nfs/dbraw/zinc/37/77/89/468377789.db2.gz LTUQBUNUSXTABW-JFRXWTBNSA-N 2 0 344.503 2.337 10 0 EEAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268928330 463812840 /nfs/dbraw/zinc/81/28/40/463812840.db2.gz WRHFUYUIZFAJKJ-AZUAARDMSA-N 2 0 333.520 2.455 10 0 EEAERP C[C@@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)Cc1ccccc1 ZINC000171909221 463947949 /nfs/dbraw/zinc/94/79/49/463947949.db2.gz LURCOKMJNQKWAH-KRWDZBQOSA-N 2 0 344.503 2.387 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[NH+](C)C)cc1 ZINC000174384001 464401019 /nfs/dbraw/zinc/40/10/19/464401019.db2.gz YXWHTPBYLFGXBS-MOPGFXCFSA-N 2 0 342.487 2.253 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000591078416 468403526 /nfs/dbraw/zinc/40/35/26/468403526.db2.gz JKVREKNAVVMJCU-GOSISDBHSA-N 2 0 343.475 2.466 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000246253037 464564234 /nfs/dbraw/zinc/56/42/34/464564234.db2.gz KBNMFURZYJXISD-JFIYKMOQSA-N 2 0 333.476 2.322 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000246545444 464598085 /nfs/dbraw/zinc/59/80/85/464598085.db2.gz WUWBGJHTFLSINM-KURKYZTESA-N 2 0 338.540 2.336 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCCC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471482 464623068 /nfs/dbraw/zinc/62/30/68/464623068.db2.gz LHBRDNSOKNWXGA-MJGOQNOKSA-N 2 0 329.488 2.499 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000176022153 464681526 /nfs/dbraw/zinc/68/15/26/464681526.db2.gz HGLPMIRSBKOVHO-SFHVURJKSA-N 2 0 334.508 2.273 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247600894 464697574 /nfs/dbraw/zinc/69/75/74/464697574.db2.gz UNCMUBXDTAOUGL-BBWFWOEESA-N 2 0 336.524 2.233 10 0 EEAERP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248915310 464820897 /nfs/dbraw/zinc/82/08/97/464820897.db2.gz ZLYMCLYESPVATE-HOCLYGCPSA-N 2 0 328.497 2.131 10 0 EEAERP Cc1nc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(N(C)C)n1 ZINC000343759283 465550847 /nfs/dbraw/zinc/55/08/47/465550847.db2.gz HPRSRMWTRVPBSG-BBRMVZONSA-N 2 0 328.464 2.658 10 0 EEAERP C[C@H]([NH2+]C1(CN[C@H]2C[N@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000344525829 465642620 /nfs/dbraw/zinc/64/26/20/465642620.db2.gz NSYPSXBKGSDFIY-AOIWGVFYSA-N 2 0 331.504 2.426 10 0 EEAERP CCSCC[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362449593 465750818 /nfs/dbraw/zinc/75/08/18/465750818.db2.gz HLGJLPXZSACRIX-AWEZNQCLSA-N 2 0 327.538 2.193 10 0 EEAERP COc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534766 465787860 /nfs/dbraw/zinc/78/78/60/465787860.db2.gz LVSVGTXNGZNVID-AUUYWEPGSA-N 2 0 347.459 2.058 10 0 EEAERP COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000347222087 466488092 /nfs/dbraw/zinc/48/80/92/466488092.db2.gz JRIJTVMPUSXHNM-YJBOKZPZSA-N 2 0 335.492 2.438 10 0 EEAERP C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310413365 466513182 /nfs/dbraw/zinc/51/31/82/466513182.db2.gz MQDZCNCHUVJASK-DSLXNQLJSA-N 2 0 329.488 2.388 10 0 EEAERP COc1cccc2c1CC[C@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347256749 466513814 /nfs/dbraw/zinc/51/38/14/466513814.db2.gz WUHUWEGCZBOUEI-MSOLQXFVSA-N 2 0 347.503 2.365 10 0 EEAERP Cc1cn2c(n1)CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)CC2 ZINC000374697235 466717858 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DEZYCUKYNDVLSZ-YOEHRIQHSA-N 2 0 336.455 2.204 10 0 EEAERP C[C@H](CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417817026 466943600 /nfs/dbraw/zinc/94/36/00/466943600.db2.gz QYZXHQJHYOCHQH-VQIMIIECSA-N 2 0 344.503 2.433 10 0 EEAERP NC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370654856 466955233 /nfs/dbraw/zinc/95/52/33/466955233.db2.gz XZIKFPKHEHFROV-QGZVFWFLSA-N 2 0 330.476 2.031 10 0 EEAERP CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000417931111 466990092 /nfs/dbraw/zinc/99/00/92/466990092.db2.gz BOIDKJFGDHXNPC-KURKYZTESA-N 2 0 330.476 2.215 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[C@H]1c1ccccc1 ZINC000417947020 466998709 /nfs/dbraw/zinc/99/87/09/466998709.db2.gz RSJOXIGEMTXSSG-FCGDIQPGSA-N 2 0 342.487 2.073 10 0 EEAERP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418042518 467031872 /nfs/dbraw/zinc/03/18/72/467031872.db2.gz LVCCBTUPRTYWRK-PMACEKPBSA-N 2 0 344.503 2.421 10 0 EEAERP 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/nfs/dbraw/zinc/56/05/50/470560550.db2.gz RJTIGDGDIWDMPJ-HKUYNNGSSA-N 2 0 342.487 2.271 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H]3OCCN(CC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000649750308 470685139 /nfs/dbraw/zinc/68/51/39/470685139.db2.gz KIENLOGARMXYSW-NHCUHLMSSA-N 2 0 343.515 2.448 10 0 EEAERP c1ccc(N2CC[C@@H](C[NH+]3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC000637870425 470862000 /nfs/dbraw/zinc/86/20/00/470862000.db2.gz SERVFXHCBBRURY-FQEVSTJZSA-N 2 0 342.531 2.226 10 0 EEAERP CC(C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@]1(O)CCOC1 ZINC000647247179 470865975 /nfs/dbraw/zinc/86/59/75/470865975.db2.gz AOTVISMWGYBHJB-NRFANRHFSA-N 2 0 346.515 2.461 10 0 EEAERP C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899172 471010387 /nfs/dbraw/zinc/01/03/87/471010387.db2.gz BPCGVKWNWNERAY-SZVBFZGTSA-N 2 0 347.478 2.337 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903842 471013245 /nfs/dbraw/zinc/01/32/45/471013245.db2.gz QUULUTHCDGVWFC-YJBOKZPZSA-N 2 0 331.460 2.488 10 0 EEAERP FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657315938 471096631 /nfs/dbraw/zinc/09/66/31/471096631.db2.gz VBIJAHWHCRLWBN-CYBMUJFWSA-N 2 0 339.365 2.241 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000638514273 471128086 /nfs/dbraw/zinc/12/80/86/471128086.db2.gz RUBZEPLFOFUOQN-OALUTQOASA-N 2 0 327.472 2.403 10 0 EEAERP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1C ZINC000657594596 471178089 /nfs/dbraw/zinc/17/80/89/471178089.db2.gz IZNHLXFFAJLLIP-IBGZPJMESA-N 2 0 342.487 2.376 10 0 EEAERP CC(C)Cn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597579 471181602 /nfs/dbraw/zinc/18/16/02/471181602.db2.gz UZKUNTIUORJVPH-HXUWFJFHSA-N 2 0 342.487 2.396 10 0 EEAERP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652616813 471314748 /nfs/dbraw/zinc/31/47/48/471314748.db2.gz BVIXWGNURCFHGD-UHFFFAOYSA-N 2 0 328.420 2.263 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490335 471363652 /nfs/dbraw/zinc/36/36/52/471363652.db2.gz RBCXQTRQAKINKE-FHLIZLRMSA-N 2 0 341.446 2.001 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000663506559 471403904 /nfs/dbraw/zinc/40/39/04/471403904.db2.gz VDCVXFDHISHWJK-QGZVFWFLSA-N 2 0 331.504 2.445 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000655799377 471488725 /nfs/dbraw/zinc/48/87/25/471488725.db2.gz OIBHUVAWNRPVQR-ZRNYENFQSA-N 2 0 332.488 2.417 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1 ZINC000666827728 471551114 /nfs/dbraw/zinc/55/11/14/471551114.db2.gz BZPVUAIZHCQVON-DYVFJYSZSA-N 2 0 330.407 2.073 10 0 EEAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000653247440 471551282 /nfs/dbraw/zinc/55/12/82/471551282.db2.gz AKBOJNVQASQLEY-RTBURBONSA-N 2 0 347.503 2.354 10 0 EEAERP CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[NH2+]C1 ZINC000659380397 471598877 /nfs/dbraw/zinc/59/88/77/471598877.db2.gz CSJULNDEVKTBKB-QGZVFWFLSA-N 2 0 327.472 2.014 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659433846 471625481 /nfs/dbraw/zinc/62/54/81/471625481.db2.gz GTTSLIFYLPXZFW-RTBURBONSA-N 2 0 344.503 2.163 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccsc1 ZINC000659433329 471625524 /nfs/dbraw/zinc/62/55/24/471625524.db2.gz AFROCHAGTNDTFD-GNHJJJEISA-N 2 0 336.505 2.264 10 0 EEAERP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)[NH+](C)C ZINC000656196667 471631277 /nfs/dbraw/zinc/63/12/77/471631277.db2.gz KIEBLFJJVHGZIX-SJORKVTESA-N 2 0 332.492 2.243 10 0 EEAERP C[N@H+](CCCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000659504142 471660877 /nfs/dbraw/zinc/66/08/77/471660877.db2.gz YGEFEOMGXIHFAT-KRWDZBQOSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656270105 471663111 /nfs/dbraw/zinc/66/31/11/471663111.db2.gz YQBLXMMVADCTDZ-OAGGEKHMSA-N 2 0 333.476 2.263 10 0 EEAERP C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)c1nccn1C ZINC000667248257 471708218 /nfs/dbraw/zinc/70/82/18/471708218.db2.gz UUWSCVARSWOJDF-HNNXBMFYSA-N 2 0 327.432 2.009 10 0 EEAERP CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000656545868 471754862 /nfs/dbraw/zinc/75/48/62/471754862.db2.gz PZIFUIBJZBGQEA-HUUCEWRRSA-N 2 0 338.521 2.477 10 0 EEAERP CC(CC[NH+]1C[C@@H]2COC[C@]2(C)C1)CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661702189 471855768 /nfs/dbraw/zinc/85/57/68/471855768.db2.gz FMYLPQNHLSFHJC-ZRNYENFQSA-N 2 0 336.520 2.339 10 0 EEAERP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000654383678 471936849 /nfs/dbraw/zinc/93/68/49/471936849.db2.gz OFMSUJMIXPCKPN-MDZRGWNJSA-N 2 0 344.503 2.073 10 0 EEAERP c1cc(C[NH+]2CCC3(COC3)C2)cc(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000662072842 471976183 /nfs/dbraw/zinc/97/61/83/471976183.db2.gz CNBGGCBCKNSWQO-UHFFFAOYSA-N 2 0 328.456 2.131 10 0 EEAERP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662264195 472049298 /nfs/dbraw/zinc/04/92/98/472049298.db2.gz SBGVUJBPPUYIBJ-KGMASTOKSA-N 2 0 347.547 2.199 10 0 EEAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280340 472054291 /nfs/dbraw/zinc/05/42/91/472054291.db2.gz OBFXKAUIKMLMSO-JKSUJKDBSA-N 2 0 326.444 2.022 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662355627 472082143 /nfs/dbraw/zinc/08/21/43/472082143.db2.gz IVCCGTZPCTYFSI-SFHVURJKSA-N 2 0 333.476 2.041 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000662387751 472093854 /nfs/dbraw/zinc/09/38/54/472093854.db2.gz LZRFLWMWGFNLQB-LPHOPBHVSA-N 2 0 347.503 2.287 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662388146 472095232 /nfs/dbraw/zinc/09/52/32/472095232.db2.gz JSEWQFRWADFDKR-UHFFFAOYSA-N 2 0 348.491 2.384 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000665639858 472120789 /nfs/dbraw/zinc/12/07/89/472120789.db2.gz GZBHAXILKISAPE-HOTGVXAUSA-N 2 0 335.496 2.056 10 0 EEAERP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662785469 472251089 /nfs/dbraw/zinc/25/10/89/472251089.db2.gz PFCUSMWCYNHZKF-QAPCUYQASA-N 2 0 345.462 2.310 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662881808 472289037 /nfs/dbraw/zinc/28/90/37/472289037.db2.gz BKRFQRUGZDXWTL-DKIMLUQUSA-N 2 0 329.444 2.207 10 0 EEAERP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000678769485 485497895 /nfs/dbraw/zinc/49/78/95/485497895.db2.gz FRHVPMPONUIELT-HOCLYGCPSA-N 2 0 335.473 2.117 10 0 EEAERP C[NH+]1CCC(C)(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000679565264 485736261 /nfs/dbraw/zinc/73/62/61/485736261.db2.gz ZFMOQJJWDCFMLJ-UHFFFAOYSA-N 2 0 328.420 2.121 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566033 486147146 /nfs/dbraw/zinc/14/71/46/486147146.db2.gz JPRMCMPKVUQFQV-XLIONFOSSA-N 2 0 331.504 2.038 10 0 EEAERP CC[C@@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171631386 529296153 /nfs/dbraw/zinc/29/61/53/529296153.db2.gz ZWBAJQBPBBZHLM-OALUTQOASA-N 2 0 348.487 2.315 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000428953736 535448608 /nfs/dbraw/zinc/44/86/08/535448608.db2.gz HBQQYOJPLDCTEJ-UHFFFAOYSA-N 2 0 336.524 2.282 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264960723 535939287 /nfs/dbraw/zinc/93/92/87/535939287.db2.gz ASQJSKOSAUTQIN-GOSISDBHSA-N 2 0 344.503 2.039 10 0 EEAERP COc1ccc([C@H](NCC2([NH+](C)C)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422727356 536930189 /nfs/dbraw/zinc/93/01/89/536930189.db2.gz HHBJVCADLKFURD-OALUTQOASA-N 2 0 347.503 2.189 10 0 EEAERP CCC[NH+]1CCC(CNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727084446 576403998 /nfs/dbraw/zinc/40/39/98/576403998.db2.gz LTYHHAMAUKLLEN-UHFFFAOYSA-N 2 0 328.570 2.160 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)C2)C1 ZINC000292057295 678645663 /nfs/dbraw/zinc/64/56/63/678645663.db2.gz CELXMRMDRFXAQN-NRSPTQNISA-N 2 0 344.499 2.469 10 0 EEAERP COCC[N@@H+](Cc1cnc2onc(C)c2c1)CC1CC[NH+](C)CC1 ZINC000895417023 684593358 /nfs/dbraw/zinc/59/33/58/684593358.db2.gz LPPXUHJXWUABKE-UHFFFAOYSA-N 2 0 332.448 2.321 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000896109627 684844647 /nfs/dbraw/zinc/84/46/47/684844647.db2.gz KDGVIYGWPZFRLQ-AEFFLSMTSA-N 2 0 333.476 2.287 10 0 EEAERP CCN1CCC([NH+]2CCC(C(=O)Nc3c[nH]nc3Cl)CC2)CC1 ZINC000897645070 691722337 /nfs/dbraw/zinc/72/23/37/691722337.db2.gz ZDWHRZXXKAGWFN-UHFFFAOYSA-N 2 0 339.871 2.198 10 0 EEAERP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000899180691 693643718 /nfs/dbraw/zinc/64/37/18/693643718.db2.gz ZPIJXJMSQDLGLJ-XWSJACJDSA-N 2 0 327.472 2.232 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]21)C1CCC1 ZINC001485605373 1191857747 /nfs/dbraw/zinc/85/77/47/1191857747.db2.gz WOJWGLHLFWSDAU-LDLYASANSA-N 2 0 345.462 2.104 10 0 EEAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001485722036 1191909589 /nfs/dbraw/zinc/90/95/89/1191909589.db2.gz CDPYSASJMOEMIX-PBHICJAKSA-N 2 0 335.496 2.321 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cn1 ZINC001485723422 1191910329 /nfs/dbraw/zinc/91/03/29/1191910329.db2.gz DHSPKMGONUCZDN-HOCLYGCPSA-N 2 0 347.507 2.205 10 0 EEAERP Cc1nc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)co1 ZINC001485786356 1191952242 /nfs/dbraw/zinc/95/22/42/1191952242.db2.gz NCLFUKFMOHMFHR-SJORKVTESA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccon1 ZINC001266247540 1176019723 /nfs/dbraw/zinc/01/97/23/1176019723.db2.gz NULBIDDCLAYRST-ZWKOTPCHSA-N 2 0 348.491 2.410 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccnc(Cl)c1 ZINC001266399044 1176479144 /nfs/dbraw/zinc/47/91/44/1176479144.db2.gz IWHZRXGPKOBYFN-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001266795137 1177443136 /nfs/dbraw/zinc/44/31/36/1177443136.db2.gz CUYVKIFGDQFQEP-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001266807397 1177464370 /nfs/dbraw/zinc/46/43/70/1177464370.db2.gz KIZJYUDILIOCPO-ZIAGYGMSSA-N 2 0 335.414 2.109 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001691173525 1177672448 /nfs/dbraw/zinc/67/24/48/1177672448.db2.gz HPLXHXUPPNKJMY-IBGZPJMESA-N 2 0 344.503 2.286 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCF)C1 ZINC001266877141 1177686311 /nfs/dbraw/zinc/68/63/11/1177686311.db2.gz QVYGNFVNHGSGLO-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001266989074 1178045309 /nfs/dbraw/zinc/04/53/09/1178045309.db2.gz RVHWDFMGYFRJSG-OAHLLOKOSA-N 2 0 329.847 2.367 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001267069763 1178185247 /nfs/dbraw/zinc/18/52/47/1178185247.db2.gz CWZUTPPFNZGFGU-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC001691446029 1178830444 /nfs/dbraw/zinc/83/04/44/1178830444.db2.gz OYJSDAAGFWJHSZ-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001267429197 1178995861 /nfs/dbraw/zinc/99/58/61/1178995861.db2.gz SEKSIGCPWCPDGU-PKOBYXMFSA-N 2 0 343.515 2.496 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+](Cc2cncs2)C1)CC(C)(C)C ZINC001481112945 1179766478 /nfs/dbraw/zinc/76/64/78/1179766478.db2.gz USRKXMRVHIMEOF-CQSZACIVSA-N 2 0 338.521 2.059 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1F ZINC001481228876 1180359533 /nfs/dbraw/zinc/35/95/33/1180359533.db2.gz KNMKQTRPDXPHLL-QGZVFWFLSA-N 2 0 339.430 2.386 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001481236815 1180384210 /nfs/dbraw/zinc/38/42/10/1180384210.db2.gz YATYJBWTMIMJKT-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)c2cc3c[nH]ccc-3n2)c(C)n1 ZINC001481246222 1180436422 /nfs/dbraw/zinc/43/64/22/1180436422.db2.gz QCPRRJQJJKDCBW-UHFFFAOYSA-N 2 0 337.427 2.437 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]C/C(Cl)=C\Cl)CC2)C1 ZINC001267919152 1180763778 /nfs/dbraw/zinc/76/37/78/1180763778.db2.gz RCDGVAJVAYSWME-GWQWUEFDSA-N 2 0 348.318 2.475 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001267969072 1180873668 /nfs/dbraw/zinc/87/36/68/1180873668.db2.gz FOYBQQWSTUUBJV-AJKQWTFCSA-N 2 0 327.900 2.440 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](Cc3conc3C)C2)CC[N@@H+]1C ZINC001481430281 1181316758 /nfs/dbraw/zinc/31/67/58/1181316758.db2.gz AXEADKYPIUDBED-BPQIPLTHSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001481446849 1181371483 /nfs/dbraw/zinc/37/14/83/1181371483.db2.gz KNNHAOHTXLSFCJ-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC001481455837 1181404715 /nfs/dbraw/zinc/40/47/15/1181404715.db2.gz LGYHLINFXRVWCZ-GOSISDBHSA-N 2 0 346.519 2.368 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C(=O)CC[NH+](C)C ZINC001268082262 1181696103 /nfs/dbraw/zinc/69/61/03/1181696103.db2.gz BCFGPCHMFCMKEQ-AEFFLSMTSA-N 2 0 331.504 2.495 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001268166397 1181905270 /nfs/dbraw/zinc/90/52/70/1181905270.db2.gz SNWWVFWGMKQPMR-SFHVURJKSA-N 2 0 344.503 2.347 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2nccn21 ZINC001268280936 1182148028 /nfs/dbraw/zinc/14/80/28/1182148028.db2.gz OLLKCCHGXLEAJY-HZPDHXFCSA-N 2 0 344.459 2.249 10 0 EEAERP O=C(Cc1ncc[nH]1)N[C@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001268287538 1182166143 /nfs/dbraw/zinc/16/61/43/1182166143.db2.gz HCXCWERIBMAEAN-MNOVXSKESA-N 2 0 331.247 2.146 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001481731442 1182406065 /nfs/dbraw/zinc/40/60/65/1182406065.db2.gz SVFQCBLQJWEGQO-IEBWSBKVSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001268413420 1182562677 /nfs/dbraw/zinc/56/26/77/1182562677.db2.gz FPKYRUHGFDLPNK-ZDUSSCGKSA-N 2 0 335.517 2.445 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001268416154 1182576112 /nfs/dbraw/zinc/57/61/12/1182576112.db2.gz UINHLDVCELBKMN-KRWDZBQOSA-N 2 0 329.488 2.384 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439715 1182615155 /nfs/dbraw/zinc/61/51/55/1182615155.db2.gz SQWKFEVFBRCNHB-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001481823343 1182742637 /nfs/dbraw/zinc/74/26/37/1182742637.db2.gz DXIZAYMMJLHAQA-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001481876631 1182852921 /nfs/dbraw/zinc/85/29/21/1182852921.db2.gz WJHRTNXACJQEOF-ZIAGYGMSSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c(C)s1 ZINC001482023707 1183152924 /nfs/dbraw/zinc/15/29/24/1183152924.db2.gz YRJYXSNNQXCRHZ-SHTZXODSSA-N 2 0 338.521 2.229 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001482027692 1183156899 /nfs/dbraw/zinc/15/68/99/1183156899.db2.gz LTFMMNVGNNCEJK-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001268520349 1183168883 /nfs/dbraw/zinc/16/88/83/1183168883.db2.gz CCXUJLPNAZIHPX-OKMFUNFZSA-N 2 0 341.499 2.148 10 0 EEAERP CC(C)c1cnc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)o1 ZINC001268805024 1183719947 /nfs/dbraw/zinc/71/99/47/1183719947.db2.gz PGKBEGIECVWHSB-UHFFFAOYSA-N 2 0 348.491 2.365 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001268802220 1183720420 /nfs/dbraw/zinc/72/04/20/1183720420.db2.gz QXMRNKSRPNRLOW-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCCC2)o1 ZINC001482219717 1184279078 /nfs/dbraw/zinc/27/90/78/1184279078.db2.gz OEZNJBUZCOAMIG-QGZVFWFLSA-N 2 0 348.491 2.374 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001482232872 1184418481 /nfs/dbraw/zinc/41/84/81/1184418481.db2.gz WJXNPTDSNQWUIY-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@](C)(C[NH2+]C/C=C/Cl)C2CC2)CC1 ZINC001269644637 1184469168 /nfs/dbraw/zinc/46/91/68/1184469168.db2.gz HBVOLQWAWNYEHV-DLGAGEGBSA-N 2 0 327.900 2.345 10 0 EEAERP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001482238328 1184526241 /nfs/dbraw/zinc/52/62/41/1184526241.db2.gz OAWBXDWLNNHTSY-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@H]1C ZINC001269982276 1184759591 /nfs/dbraw/zinc/75/95/91/1184759591.db2.gz VHXIKQCTZHRWBY-QZTJIDSGSA-N 2 0 347.503 2.376 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001270031435 1184800015 /nfs/dbraw/zinc/80/00/15/1184800015.db2.gz VNXPQRYYEXMQQE-WGSAOQKQSA-N 2 0 347.503 2.415 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCOC1CCCCCC1 ZINC001270372408 1185056527 /nfs/dbraw/zinc/05/65/27/1185056527.db2.gz SYRJDFVDADCDLJ-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001482338106 1185434000 /nfs/dbraw/zinc/43/40/00/1185434000.db2.gz DVBJFWQGOWJSDN-INIZCTEOSA-N 2 0 346.519 2.367 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]cnc2C)c1 ZINC001482358631 1185506682 /nfs/dbraw/zinc/50/66/82/1185506682.db2.gz QKUBMMONKATHNR-UONOGXRCSA-N 2 0 344.459 2.467 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001482413204 1185648760 /nfs/dbraw/zinc/64/87/60/1185648760.db2.gz MNJDKABGHCXSIT-IAGOWNOFSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001482448322 1185796255 /nfs/dbraw/zinc/79/62/55/1185796255.db2.gz IIYXEAYKMAHJPA-OWXGIERXSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001271216786 1186087921 /nfs/dbraw/zinc/08/79/21/1186087921.db2.gz PZCBJKBERIEMLX-ZDUSSCGKSA-N 2 0 326.872 2.012 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271261987 1186111939 /nfs/dbraw/zinc/11/19/39/1186111939.db2.gz WQDBOOLGJJFRHX-HUUCEWRRSA-N 2 0 349.441 2.401 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1)C1CCC1 ZINC001271544194 1186303434 /nfs/dbraw/zinc/30/34/34/1186303434.db2.gz OEZQSCNBCHAFLX-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001271576198 1186318631 /nfs/dbraw/zinc/31/86/31/1186318631.db2.gz MBRSKIZXMIBTJV-DOTOQJQBSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001482536310 1186575968 /nfs/dbraw/zinc/57/59/68/1186575968.db2.gz PZJMIKQQVAHSTB-RBUKOAKNSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCOC1CCC1 ZINC001271886401 1186579017 /nfs/dbraw/zinc/57/90/17/1186579017.db2.gz UMWVJYIBSXRLMA-BQFCYCMXSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001482553084 1186698474 /nfs/dbraw/zinc/69/84/74/1186698474.db2.gz KCDDWUSLRWRPSK-CHWSQXEVSA-N 2 0 336.307 2.378 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001670899920 1193493474 /nfs/dbraw/zinc/49/34/74/1193493474.db2.gz HIFSRNBQIYQUOG-UHFFFAOYSA-N 2 0 345.487 2.016 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482833267 1187753222 /nfs/dbraw/zinc/75/32/22/1187753222.db2.gz ISXXJOMNNJNJOX-JFIYKMOQSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@H](CC[NH2+]CCC[C@H]1CCOC1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001482848020 1187766473 /nfs/dbraw/zinc/76/64/73/1187766473.db2.gz WEGCRZQCBUEMFZ-CABCVRRESA-N 2 0 344.459 2.478 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482854855 1187776983 /nfs/dbraw/zinc/77/69/83/1187776983.db2.gz QZRGOPXSXICPPM-PCKAHOCUSA-N 2 0 341.459 2.411 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001482898155 1187810047 /nfs/dbraw/zinc/81/00/47/1187810047.db2.gz ARZCKYKMRUSCDT-ZDUSSCGKSA-N 2 0 325.403 2.045 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)Cn1ccnc1C ZINC001482968543 1187906512 /nfs/dbraw/zinc/90/65/12/1187906512.db2.gz NLAMJKZPXNIJPD-UHFFFAOYSA-N 2 0 340.471 2.319 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001279150854 1187907158 /nfs/dbraw/zinc/90/71/58/1187907158.db2.gz YKRBSWHHDNZIQZ-MJGOQNOKSA-N 2 0 331.504 2.173 10 0 EEAERP C[C@@]1(C[NH2+]CCCCCF)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671735142 1193530663 /nfs/dbraw/zinc/53/06/63/1193530663.db2.gz HZHIKHHNFPFUNH-HKUYNNGSSA-N 2 0 339.499 2.296 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001483129403 1188613063 /nfs/dbraw/zinc/61/30/63/1188613063.db2.gz XQAIPEBHIJPYLO-VHDGCEQUSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001409297117 1188613670 /nfs/dbraw/zinc/61/36/70/1188613670.db2.gz QMIRQPIQHYJABQ-JCYILVPMSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)s1 ZINC001483197090 1189087979 /nfs/dbraw/zinc/08/79/79/1189087979.db2.gz VKRGXZRHQQTPHD-CQSZACIVSA-N 2 0 338.521 2.312 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001409421718 1189652594 /nfs/dbraw/zinc/65/25/94/1189652594.db2.gz GKHPYYPGMXEAJL-SJORKVTESA-N 2 0 346.519 2.493 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001409421715 1189652652 /nfs/dbraw/zinc/65/26/52/1189652652.db2.gz GKHPYYPGMXEAJL-DLBZAZTESA-N 2 0 346.519 2.493 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccc(F)cc1F)C(=O)CC[NH+](C)C ZINC001409446626 1189690663 /nfs/dbraw/zinc/69/06/63/1189690663.db2.gz MVVGNPIZVVXQOB-UHFFFAOYSA-N 2 0 341.446 2.491 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409473917 1189780027 /nfs/dbraw/zinc/78/00/27/1189780027.db2.gz OUGIACCVVWVAFI-HUUCEWRRSA-N 2 0 337.512 2.095 10 0 EEAERP Cc1nccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001409483170 1189845189 /nfs/dbraw/zinc/84/51/89/1189845189.db2.gz YZJNGCFXBJMXKM-HZPDHXFCSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)cn1 ZINC001485929789 1193649372 /nfs/dbraw/zinc/64/93/72/1193649372.db2.gz DUCCWWXEHBXIHS-HZPDHXFCSA-N 2 0 347.507 2.014 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483282755 1190305791 /nfs/dbraw/zinc/30/57/91/1190305791.db2.gz AQRBETJFGCTWOM-DOTOQJQBSA-N 2 0 340.471 2.171 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001483318878 1190342794 /nfs/dbraw/zinc/34/27/94/1190342794.db2.gz FYVXJTCRQOLWOJ-YJBOKZPZSA-N 2 0 332.492 2.236 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCOCC1 ZINC001483422022 1190469986 /nfs/dbraw/zinc/46/99/86/1190469986.db2.gz UDSBOBYJRRQMAE-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483561542 1190550530 /nfs/dbraw/zinc/55/05/30/1190550530.db2.gz SZGDQZYRPNQXJQ-MOPGFXCFSA-N 2 0 327.472 2.013 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC001483605662 1190583976 /nfs/dbraw/zinc/58/39/76/1190583976.db2.gz PQPSKFMRCXCDMR-RBUKOAKNSA-N 2 0 345.462 2.393 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130367 1193689929 /nfs/dbraw/zinc/68/99/29/1193689929.db2.gz RBBZRZSHTHDLMW-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccc1F)CC2 ZINC001486143356 1193695592 /nfs/dbraw/zinc/69/55/92/1193695592.db2.gz AHORIKYBCKSCNN-PKOBYXMFSA-N 2 0 333.451 2.391 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001483683405 1190745743 /nfs/dbraw/zinc/74/57/43/1190745743.db2.gz ZLEHDQYMZFZGCP-QUCCMNQESA-N 2 0 343.515 2.460 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001272345055 1190778287 /nfs/dbraw/zinc/77/82/87/1190778287.db2.gz ZTSYROHQARXLHC-NVXWUHKLSA-N 2 0 335.517 2.261 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001272616467 1190931505 /nfs/dbraw/zinc/93/15/05/1190931505.db2.gz MTFYIFUHUSNTLD-GOSISDBHSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1ccc(CCC[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)cc1 ZINC001483785078 1191027072 /nfs/dbraw/zinc/02/70/72/1191027072.db2.gz XUEKOTOIELBINS-UHFFFAOYSA-N 2 0 341.499 2.262 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2sccc2Cl)CC1 ZINC001483791489 1191031645 /nfs/dbraw/zinc/03/16/45/1191031645.db2.gz WDDIEGHTNZEILT-UHFFFAOYSA-N 2 0 327.881 2.236 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001483832503 1191069453 /nfs/dbraw/zinc/06/94/53/1191069453.db2.gz JRRANVFRBXXPST-LJQANCHMSA-N 2 0 348.491 2.138 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001483845680 1191080510 /nfs/dbraw/zinc/08/05/10/1191080510.db2.gz APDVKUVCPHRWIJ-SFHVURJKSA-N 2 0 325.472 2.146 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483915103 1191114740 /nfs/dbraw/zinc/11/47/40/1191114740.db2.gz DMSCJAMATUMAQS-STQMWFEESA-N 2 0 333.398 2.004 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)o1 ZINC001483915885 1191115214 /nfs/dbraw/zinc/11/52/14/1191115214.db2.gz JFANFSFOTTXFBZ-GOEBONIOSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484093355 1191207459 /nfs/dbraw/zinc/20/74/59/1191207459.db2.gz GXLONXMZLIZEIK-QUCCMNQESA-N 2 0 333.520 2.347 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@]2(C)CCN(C(=O)Cn3ccnc3)C2)o1 ZINC001484128264 1191224992 /nfs/dbraw/zinc/22/49/92/1191224992.db2.gz NSZRVOFUJUARMZ-SFHVURJKSA-N 2 0 345.447 2.023 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484136411 1191227742 /nfs/dbraw/zinc/22/77/42/1191227742.db2.gz GEWGOLBOTNPICV-BZUAXINKSA-N 2 0 327.488 2.293 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCOCC)CC1 ZINC001484136740 1191228090 /nfs/dbraw/zinc/22/80/90/1191228090.db2.gz CSRSSSOHYYETOL-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP COc1cccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001484472764 1191377914 /nfs/dbraw/zinc/37/79/14/1191377914.db2.gz IXWNUVBLMZKMJY-PKOBYXMFSA-N 2 0 345.487 2.070 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)CC1 ZINC001484536371 1191403824 /nfs/dbraw/zinc/40/38/24/1191403824.db2.gz TUWFZCLUZIIGTH-INIZCTEOSA-N 2 0 347.478 2.496 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC001484683727 1191470332 /nfs/dbraw/zinc/47/03/32/1191470332.db2.gz IFTWDVGADJQSNN-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC(C)([NH2+]CC2CCC2)CC1 ZINC001484916839 1191568845 /nfs/dbraw/zinc/56/88/45/1191568845.db2.gz GOIYLNLQOSQEKX-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001484906369 1191570294 /nfs/dbraw/zinc/57/02/94/1191570294.db2.gz RCAYAFBEXKYYRE-WBVHZDCISA-N 2 0 347.528 2.213 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485157539 1191673393 /nfs/dbraw/zinc/67/33/93/1191673393.db2.gz MFHADLMZHCBKQG-CHWSQXEVSA-N 2 0 339.430 2.432 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001485158336 1191673589 /nfs/dbraw/zinc/67/35/89/1191673589.db2.gz ZFFCZDQWGDGXOC-QWHCGFSZSA-N 2 0 339.430 2.432 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)sc1C ZINC001485217138 1191689391 /nfs/dbraw/zinc/68/93/91/1191689391.db2.gz QXHDJOUDFBYNOI-NEPJUHHUSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001485225250 1191696897 /nfs/dbraw/zinc/69/68/97/1191696897.db2.gz HZYWXNNTEPDCOB-CHWSQXEVSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CCCCC(F)(F)F ZINC001485348230 1191749652 /nfs/dbraw/zinc/74/96/52/1191749652.db2.gz XLMFNYFWJPBBRC-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC(F)(F)CC1 ZINC001485382705 1191768494 /nfs/dbraw/zinc/76/84/94/1191768494.db2.gz IIQSKRKMCTVBSR-DZGCQCFKSA-N 2 0 331.451 2.200 10 0 EEAERP COCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001485456350 1191792156 /nfs/dbraw/zinc/79/21/56/1191792156.db2.gz PYPJDVXRVRWDAO-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cnccc1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470809 1191801334 /nfs/dbraw/zinc/80/13/34/1191801334.db2.gz RVJBLMJOQALSIP-GOSISDBHSA-N 2 0 344.503 2.250 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485479840 1191806848 /nfs/dbraw/zinc/80/68/48/1191806848.db2.gz HXBPIVZKXPUFRJ-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001485482020 1191808915 /nfs/dbraw/zinc/80/89/15/1191808915.db2.gz IDRWQMQXNQIOBX-QGZVFWFLSA-N 2 0 341.540 2.362 10 0 EEAERP Cc1cncc(C[N@H+]2CCCCC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001485482668 1191809183 /nfs/dbraw/zinc/80/91/83/1191809183.db2.gz QFLXLLYFYXTNDX-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCCC[N@@H+]1CCC[C@H](NC(=O)CCCCN2CCOCC2)[C@@H]1C ZINC001486182780 1193719541 /nfs/dbraw/zinc/71/95/41/1193719541.db2.gz ZEYNPZNWCBITEH-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC001486221616 1193759234 /nfs/dbraw/zinc/75/92/34/1193759234.db2.gz UWVYXYHKKFEISJ-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC001486241183 1193767553 /nfs/dbraw/zinc/76/75/53/1193767553.db2.gz STXNNTBIKOXIGT-ZIAGYGMSSA-N 2 0 331.451 2.200 10 0 EEAERP CO[C@@H](C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001486483136 1193997211 /nfs/dbraw/zinc/99/72/11/1193997211.db2.gz CGHFYSFQXIJSAJ-ACBHZAAOSA-N 2 0 347.503 2.293 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001273123543 1194407290 /nfs/dbraw/zinc/40/72/90/1194407290.db2.gz WBLVDMAXYOIBFH-UONOGXRCSA-N 2 0 338.496 2.297 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001273131670 1194426976 /nfs/dbraw/zinc/42/69/76/1194426976.db2.gz VRNVAALCUMBZOM-KSSFIOAISA-N 2 0 346.475 2.398 10 0 EEAERP C[C@@]12CN(C(=O)C[C@H]3CCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702082704 1195739267 /nfs/dbraw/zinc/73/92/67/1195739267.db2.gz RTCQYBNMIFTMOL-NLWGTHIKSA-N 2 0 327.472 2.109 10 0 EEAERP Cc1ccccc1CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273175873 1197344570 /nfs/dbraw/zinc/34/45/70/1197344570.db2.gz LPNXNJIINAFDDZ-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCCC4CCC4)C[C@H]32)C1 ZINC001410150343 1197581328 /nfs/dbraw/zinc/58/13/28/1197581328.db2.gz KWQDLPVEMFRVCW-MKXGPGLRSA-N 2 0 333.520 2.203 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001410194583 1197596715 /nfs/dbraw/zinc/59/67/15/1197596715.db2.gz UCGDMBUDUVVZQI-CEXWTWQISA-N 2 0 344.503 2.140 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cc(C)no1)C1CC1 ZINC001410318525 1197698141 /nfs/dbraw/zinc/69/81/41/1197698141.db2.gz ZVRXRCSJRASIFP-QZTJIDSGSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1cncs1)C1CC1)[NH+](C)C ZINC001410339938 1197728747 /nfs/dbraw/zinc/72/87/47/1197728747.db2.gz ZVWVKTPOLNDMEV-HOTGVXAUSA-N 2 0 338.521 2.056 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001410369794 1197761196 /nfs/dbraw/zinc/76/11/96/1197761196.db2.gz DTGPACZJSRKXBW-AYOQOUSVSA-N 2 0 347.503 2.362 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001410372097 1197765475 /nfs/dbraw/zinc/76/54/75/1197765475.db2.gz BZBDBMSUARKVHH-HOCLYGCPSA-N 2 0 336.480 2.048 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001410378071 1197772101 /nfs/dbraw/zinc/77/21/01/1197772101.db2.gz GKFCXDPMOQGUGP-INIZCTEOSA-N 2 0 347.503 2.254 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864050297 1197955944 /nfs/dbraw/zinc/95/59/44/1197955944.db2.gz BWJXEQWWSBUJSK-GSJFWJNXSA-N 2 0 328.254 2.283 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000872144285 1198054424 /nfs/dbraw/zinc/05/44/24/1198054424.db2.gz FPPSXICKMOBJAL-MOPGFXCFSA-N 2 0 346.471 2.500 10 0 EEAERP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155128 1198061293 /nfs/dbraw/zinc/06/12/93/1198061293.db2.gz DITPJCNDFHOFGF-GOSISDBHSA-N 2 0 346.519 2.175 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000865070230 1198072638 /nfs/dbraw/zinc/07/26/38/1198072638.db2.gz RLDXFDYDUWJZLH-PXNSSMCTSA-N 2 0 342.487 2.290 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@]12C[C@H]1CCCC2 ZINC000865070236 1198072985 /nfs/dbraw/zinc/07/29/85/1198072985.db2.gz RLDXFDYDUWJZLH-YLJYHZDGSA-N 2 0 342.487 2.290 10 0 EEAERP C[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Cl)c1 ZINC000872257251 1198114962 /nfs/dbraw/zinc/11/49/62/1198114962.db2.gz OEVUCVWQWIUUDY-DXEWXGHRSA-N 2 0 349.862 2.310 10 0 EEAERP C[C@@H]1CCCC[C@@H]1NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865245199 1198138435 /nfs/dbraw/zinc/13/84/35/1198138435.db2.gz HNQGQRSIPSLZFP-VQHPVUNQSA-N 2 0 340.581 2.111 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000865456273 1198228565 /nfs/dbraw/zinc/22/85/65/1198228565.db2.gz GJDUNGCFDKMTLC-GFCCVEGCSA-N 2 0 349.372 2.450 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H]1C ZINC001410844706 1198495174 /nfs/dbraw/zinc/49/51/74/1198495174.db2.gz JKTQHYWZWCPXHF-MAUKXSAKSA-N 2 0 335.467 2.287 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873239390 1198538664 /nfs/dbraw/zinc/53/86/64/1198538664.db2.gz VIGLCKRCXIFZEI-DGELNIIYSA-N 2 0 326.440 2.255 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](C[C@@H]1CCCCO1)CC2 ZINC001410914046 1198568845 /nfs/dbraw/zinc/56/88/45/1198568845.db2.gz UTDLKQBVKVTLET-LNLFQRSKSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C[NH2+]CCCF ZINC001279181031 1198673781 /nfs/dbraw/zinc/67/37/81/1198673781.db2.gz CZZOVFXXUYYHKK-QAPCUYQASA-N 2 0 339.499 2.152 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001411117116 1198813292 /nfs/dbraw/zinc/81/32/92/1198813292.db2.gz QFIYNNPHYLVLOY-CHWSQXEVSA-N 2 0 348.318 2.474 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]Cc2cncs2)C(C)(C)C)C1 ZINC001411211951 1198920383 /nfs/dbraw/zinc/92/03/83/1198920383.db2.gz AFVBBVDJSFTFGF-UKRRQHHQSA-N 2 0 338.521 2.105 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000810367290 1199451248 /nfs/dbraw/zinc/45/12/48/1199451248.db2.gz JEEYZMQQIFEQHA-MAUKXSAKSA-N 2 0 325.472 2.286 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000810701648 1199684090 /nfs/dbraw/zinc/68/40/90/1199684090.db2.gz QFYKOXHXBDTQPJ-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020331 1200410877 /nfs/dbraw/zinc/41/08/77/1200410877.db2.gz MNDDUEPRYAVFIY-NCOADZHNSA-N 2 0 349.544 2.358 10 0 EEAERP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000870020519 1200411572 /nfs/dbraw/zinc/41/15/72/1200411572.db2.gz CUVRSKRHAJULNU-DJIMGWMZSA-N 2 0 335.467 2.127 10 0 EEAERP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)C1 ZINC000870896704 1200939307 /nfs/dbraw/zinc/93/93/07/1200939307.db2.gz YJXPOHUXNZFOGI-QOIOWGMHSA-N 2 0 343.471 2.473 10 0 EEAERP C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000868187851 1201760181 /nfs/dbraw/zinc/76/01/81/1201760181.db2.gz NLXMLJGHZKUYPV-KJWYOANISA-N 2 0 346.475 2.122 10 0 EEAERP C[N@H+](CCNC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)C1CC1 ZINC000868366575 1201800454 /nfs/dbraw/zinc/80/04/54/1201800454.db2.gz RXFBMKLIHFPFQK-UHFFFAOYSA-N 2 0 344.503 2.043 10 0 EEAERP C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@H]4C3)cc2)CC[N@@H+]1C ZINC000882394941 1201865578 /nfs/dbraw/zinc/86/55/78/1201865578.db2.gz LOKUNFUADKCYOV-AYOQOUSVSA-N 2 0 342.487 2.250 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000717544806 1204263943 /nfs/dbraw/zinc/26/39/43/1204263943.db2.gz IXKJPAYCOWCFGI-DYXWJJEUSA-N 2 0 341.499 2.484 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1F ZINC001274104957 1204373911 /nfs/dbraw/zinc/37/39/11/1204373911.db2.gz FNKZCAKGXCZJLJ-DKFQHHCZSA-N 2 0 335.467 2.482 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cc(F)ccc1F)C12CCC[NH+]1CCC2 ZINC001274162332 1204420555 /nfs/dbraw/zinc/42/05/55/1204420555.db2.gz LLPUGVYQGJAURM-UPHRSURJSA-N 2 0 349.425 2.355 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)cc1 ZINC001274251470 1204977141 /nfs/dbraw/zinc/97/71/41/1204977141.db2.gz OZHGAFXKVABRKS-MJGOQNOKSA-N 2 0 347.503 2.152 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001274310276 1204993114 /nfs/dbraw/zinc/99/31/14/1204993114.db2.gz OKNNIVNZSYMNHS-NCWIEVAOSA-N 2 0 345.487 2.188 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001274370606 1205012301 /nfs/dbraw/zinc/01/23/01/1205012301.db2.gz UMOXVMOWQHEHSP-SREVYHEPSA-N 2 0 332.492 2.130 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001274578319 1205086231 /nfs/dbraw/zinc/08/62/31/1205086231.db2.gz HGBVSXJZSDWGIS-QDLOVBKTSA-N 2 0 335.879 2.362 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274610774 1205097109 /nfs/dbraw/zinc/09/71/09/1205097109.db2.gz QOZPQVGKKBKVNP-PHWHVTFISA-N 2 0 344.503 2.272 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001275311041 1205306330 /nfs/dbraw/zinc/30/63/30/1205306330.db2.gz WPCJXLISIJTETQ-ZALBZXLWSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001275582252 1205427556 /nfs/dbraw/zinc/42/75/56/1205427556.db2.gz NNQSLAMIAJYAGV-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC001412434696 1205724276 /nfs/dbraw/zinc/72/42/76/1205724276.db2.gz NAAPFBSQSKGIKO-MOPGFXCFSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925326510 1206097921 /nfs/dbraw/zinc/09/79/21/1206097921.db2.gz MEXHQQAZHIISCO-APWZRJJASA-N 2 0 344.503 2.385 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000925327510 1206098009 /nfs/dbraw/zinc/09/80/09/1206098009.db2.gz GCMIFKBRMVIDBG-FUHWJXTLSA-N 2 0 332.492 2.161 10 0 EEAERP C[C@H]1CC2(CC([NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)C2)CO1 ZINC000925441562 1206112195 /nfs/dbraw/zinc/11/21/95/1206112195.db2.gz ROUWKWWMEFTFDQ-IJNIYJAUSA-N 2 0 345.487 2.025 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000925499264 1206119732 /nfs/dbraw/zinc/11/97/32/1206119732.db2.gz NQZDCDCSQGDRQW-UPJWGTAASA-N 2 0 328.403 2.200 10 0 EEAERP c1ccc(CN2CC[NH+](CCCN[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925539042 1206125025 /nfs/dbraw/zinc/12/50/25/1206125025.db2.gz YHPYJFSINGJKTG-FQEVSTJZSA-N 2 0 342.531 2.069 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000925634957 1206137998 /nfs/dbraw/zinc/13/79/98/1206137998.db2.gz NMPGZEHNICYODH-GUDVDZBRSA-N 3 0 331.504 2.249 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]2CC(C)(C)CO2)CC[NH2+]CC1 ZINC000925773300 1206153037 /nfs/dbraw/zinc/15/30/37/1206153037.db2.gz CJKPYVBLCCGRBC-LSDHHAIUSA-N 2 0 326.481 2.103 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925811400 1206156351 /nfs/dbraw/zinc/15/63/51/1206156351.db2.gz ILSABMIULSDJGP-MZADTFQBSA-N 3 0 342.531 2.195 10 0 EEAERP COc1cccc2c1CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C2 ZINC000925847660 1206160138 /nfs/dbraw/zinc/16/01/38/1206160138.db2.gz SZKBRTRWYIKEKC-GOSISDBHSA-N 2 0 331.504 2.218 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929771142 1206500482 /nfs/dbraw/zinc/50/04/82/1206500482.db2.gz KLMKNFATAAWXRG-KBPBESRZSA-N 2 0 326.403 2.123 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)CC(C)(C)O1 ZINC000930146925 1206537762 /nfs/dbraw/zinc/53/77/62/1206537762.db2.gz MSKSIJMEOBZFHF-INIZCTEOSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CCC[N@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1)CC[NH+](C)C ZINC000930499179 1206562696 /nfs/dbraw/zinc/56/26/96/1206562696.db2.gz ITIJVGCHNZWGQG-HUUCEWRRSA-N 2 0 339.446 2.302 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000075639597 1208784380 /nfs/dbraw/zinc/78/43/80/1208784380.db2.gz USBZAALELMXTRV-FQEVSTJZSA-N 2 0 332.488 2.381 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccccc1 ZINC000900556348 1234480613 /nfs/dbraw/zinc/48/06/13/1234480613.db2.gz BPJYGVSGZLFBSM-UZLBHIALSA-N 2 0 347.503 2.079 10 0 EEAERP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901133418 1235264596 /nfs/dbraw/zinc/26/45/96/1235264596.db2.gz MEIAKAMRBDGERO-HXUWFJFHSA-N 2 0 345.487 2.376 10 0 EEAERP c1cc(-c2nncnn2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903194700 1239982898 /nfs/dbraw/zinc/98/28/98/1239982898.db2.gz PUKODCQKBJNUSH-ZNXRZULTSA-N 2 0 336.443 2.181 10 0 EEAERP NC(=O)CC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000903259909 1240125667 /nfs/dbraw/zinc/12/56/67/1240125667.db2.gz LPYLUCINAZNAOI-QHPSASCESA-N 2 0 327.472 2.426 10 0 EEAERP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903458728 1240530251 /nfs/dbraw/zinc/53/02/51/1240530251.db2.gz IHYIDBHPZAPYQK-IKGGRYGDSA-N 3 0 348.510 2.474 10 0 EEAERP C[C@@]1(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)COC(=O)N1 ZINC000903563403 1240953091 /nfs/dbraw/zinc/95/30/91/1240953091.db2.gz BIYLCIRYJKXGSV-IBGZPJMESA-N 2 0 329.444 2.043 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903564965 1240956604 /nfs/dbraw/zinc/95/66/04/1240956604.db2.gz ALHFNRBPXFVNGZ-SQNIBIBYSA-N 2 0 345.512 2.329 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CNCc2cc(N)cc[nH+]2)CC1 ZINC000903950394 1242673514 /nfs/dbraw/zinc/67/35/14/1242673514.db2.gz MPJNTTRRCDAVDB-UHFFFAOYSA-N 2 0 339.487 2.486 10 0 EEAERP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958229 1242724198 /nfs/dbraw/zinc/72/41/98/1242724198.db2.gz XJXAPRUKJCGCAL-GXTWGEPZSA-N 2 0 328.403 2.469 10 0 EEAERP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001491231299 1258833973 /nfs/dbraw/zinc/83/39/73/1258833973.db2.gz YQSMYCKBDWVTRF-QGZVFWFLSA-N 2 0 337.508 2.034 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccc(Cl)nc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001273495542 1278591758 /nfs/dbraw/zinc/59/17/58/1278591758.db2.gz BCJFNVHLDBZVCT-HNNXBMFYSA-N 2 0 338.883 2.110 10 0 EEAERP c1nn(-c2ccccc2)nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850419158 1277219765 /nfs/dbraw/zinc/21/97/65/1277219765.db2.gz CHPYTGWNINPCRD-UHFFFAOYSA-N 2 0 325.460 2.479 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1 ZINC001413683580 1286553954 /nfs/dbraw/zinc/55/39/54/1286553954.db2.gz KKXRNLYIDXFXOP-NJAFHUGGSA-N 2 0 332.492 2.311 10 0 EEAERP CCO[C@@H](C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001489238434 1290487488 /nfs/dbraw/zinc/48/74/88/1290487488.db2.gz LXHSULBMJJICHM-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001489344592 1290529028 /nfs/dbraw/zinc/52/90/28/1290529028.db2.gz RKZUZGABMHOJFH-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCCc1cccc(F)c1 ZINC001490163655 1290990539 /nfs/dbraw/zinc/99/05/39/1290990539.db2.gz CGXPRIDJUTZBQA-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001490233670 1291049963 /nfs/dbraw/zinc/04/99/63/1291049963.db2.gz RHXGUTQOXPMNMM-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001490308851 1291179814 /nfs/dbraw/zinc/17/98/14/1291179814.db2.gz GGVNNRIKNAIWRV-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1conc1CN[C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001490310996 1291184577 /nfs/dbraw/zinc/18/45/77/1291184577.db2.gz FNIVQMNPXFCUAP-RDJZCZTQSA-N 2 0 336.480 2.182 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000854231283 1292680593 /nfs/dbraw/zinc/68/05/93/1292680593.db2.gz IMLVSALDMPLFQQ-CYBMUJFWSA-N 2 0 338.883 2.376 10 0 EEAERP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC000854514019 1292825239 /nfs/dbraw/zinc/82/52/39/1292825239.db2.gz UTRZPTAYUSDLMC-IEBWSBKVSA-N 2 0 327.472 2.471 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC[NH+]3CCCCC3)C2)ccn1 ZINC000856585697 1293572562 /nfs/dbraw/zinc/57/25/62/1293572562.db2.gz LZYKJSDBYYILPQ-FQEVSTJZSA-N 2 0 346.519 2.472 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](O)C3CC3)C2)ccn1 ZINC000856606071 1293580051 /nfs/dbraw/zinc/58/00/51/1293580051.db2.gz GXIPLAGOMGXNDR-RTBURBONSA-N 2 0 333.476 2.146 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001490902871 1294655332 /nfs/dbraw/zinc/65/53/32/1294655332.db2.gz SNKVPLORQLOLRK-BZSNNMDCSA-N 2 0 330.476 2.001 10 0 EEAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542900 1296326780 /nfs/dbraw/zinc/32/67/80/1296326780.db2.gz UGDHXGTVCAQCAV-URLQWDBASA-N 2 0 328.412 2.094 10 0 EEAERP Cc1ccc(C)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863550483 1296328894 /nfs/dbraw/zinc/32/88/94/1296328894.db2.gz XOSIMMWQRBTYBR-MSOLQXFVSA-N 2 0 329.444 2.060 10 0 EEAERP Cc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1Cl ZINC000863643593 1296361275 /nfs/dbraw/zinc/36/12/75/1296361275.db2.gz PGADFYOVTDPEDR-SJORKVTESA-N 2 0 349.862 2.405 10 0 EEAERP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1[NH2+]CCOC ZINC001276774279 1297587115 /nfs/dbraw/zinc/58/71/15/1297587115.db2.gz XOADYRHVVVSVLC-PKOBYXMFSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277148840 1301513960 /nfs/dbraw/zinc/51/39/60/1301513960.db2.gz WXLDIBQVELQLFQ-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001277273320 1302138901 /nfs/dbraw/zinc/13/89/01/1302138901.db2.gz VZQLITMEDTXGTF-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001277335363 1302477593 /nfs/dbraw/zinc/47/75/93/1302477593.db2.gz NHPHYXQMDYOTKO-AWEZNQCLSA-N 2 0 348.491 2.016 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001277345365 1302549211 /nfs/dbraw/zinc/54/92/11/1302549211.db2.gz JMSYFIOEPJMKAQ-MSOLQXFVSA-N 2 0 349.519 2.107 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)C[NH+]1CCCC1 ZINC001277356286 1302616710 /nfs/dbraw/zinc/61/67/10/1302616710.db2.gz RIDNKVQVFQSWBA-HNNXBMFYSA-N 2 0 344.459 2.298 10 0 EEAERP CC[C@H](C(=O)N1CCC([N@H+](C)CCCOC(C)C)CC1)[NH+](C)C ZINC001277411586 1302919429 /nfs/dbraw/zinc/91/94/29/1302919429.db2.gz LYHOGFPMYVKRFP-QGZVFWFLSA-N 2 0 327.513 2.065 10 0 EEAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001413819116 1303144916 /nfs/dbraw/zinc/14/49/16/1303144916.db2.gz QLWKSFJRSZTZJM-NXHRZFHOSA-N 2 0 332.492 2.413 10 0 EEAERP CCc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001278017017 1305696174 /nfs/dbraw/zinc/69/61/74/1305696174.db2.gz GVWWLHAGBKEYIE-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCCCC1 ZINC000841723963 1315604075 /nfs/dbraw/zinc/60/40/75/1315604075.db2.gz CADKVNKFWYJHKG-KRWDZBQOSA-N 2 0 332.492 2.074 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)c1ccccc1 ZINC001278572297 1317260310 /nfs/dbraw/zinc/26/03/10/1317260310.db2.gz MZRMSODDRWMZFB-HKUYNNGSSA-N 2 0 335.467 2.477 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCCCCF)C1 ZINC001276414891 1321929269 /nfs/dbraw/zinc/92/92/69/1321929269.db2.gz ZEKDLXSOXRJXQP-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncc(C[N@H+](CCCNC(=O)C23CCC[NH+]2CCC3)C2CC2)o1 ZINC001265167504 1322962291 /nfs/dbraw/zinc/96/22/91/1322962291.db2.gz RGMGGJNPBLQEEI-UHFFFAOYSA-N 2 0 346.475 2.082 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001265443803 1323157745 /nfs/dbraw/zinc/15/77/45/1323157745.db2.gz FFRDNRHFQSGJKN-IBGZPJMESA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001265595120 1323251344 /nfs/dbraw/zinc/25/13/44/1323251344.db2.gz SPQHCMQJAXGHHS-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001265621248 1323273146 /nfs/dbraw/zinc/27/31/46/1323273146.db2.gz FXAYNPUQDRPEOS-YVNXIIFDSA-N 2 0 327.900 2.297 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702657 1323336220 /nfs/dbraw/zinc/33/62/20/1323336220.db2.gz GKGKQYCDOAKOOI-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@H](C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001265902157 1323471318 /nfs/dbraw/zinc/47/13/18/1323471318.db2.gz JVYQOTDEMRJLOP-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001265956564 1323518214 /nfs/dbraw/zinc/51/82/14/1323518214.db2.gz SETNTNAOTXPHOB-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266219113 1323788895 /nfs/dbraw/zinc/78/88/95/1323788895.db2.gz DBEZNJMDEFDFTM-MRXNPFEDSA-N 2 0 348.491 2.328 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCCc2ccccc2)C1 ZINC001279307770 1323870352 /nfs/dbraw/zinc/87/03/52/1323870352.db2.gz NGXXYCIOGKKMGO-UHFFFAOYSA-N 2 0 341.499 2.294 10 0 EEAERP COC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654010 1323970957 /nfs/dbraw/zinc/97/09/57/1323970957.db2.gz LZDWMGMQXHAPFU-IRXDYDNUSA-N 2 0 337.508 2.034 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCc2cccs2)C2CC2)CCC1 ZINC001276602848 1324731731 /nfs/dbraw/zinc/73/17/31/1324731731.db2.gz GVTZMMATGDZTJS-INIZCTEOSA-N 2 0 335.517 2.259 10 0 EEAERP Cc1cc(CN2C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)no1 ZINC001276625195 1324861928 /nfs/dbraw/zinc/86/19/28/1324861928.db2.gz SMGODSWNMICVEQ-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CCC(F)(F)F)[C@@]12CC[N@H+](C1)CCC2 ZINC001281889952 1325500339 /nfs/dbraw/zinc/50/03/39/1325500339.db2.gz BDXLROAOHPSSIK-HOCLYGCPSA-N 2 0 347.425 2.395 10 0 EEAERP Cc1ccc(CCC[NH2+]CC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001282073856 1325610781 /nfs/dbraw/zinc/61/07/81/1325610781.db2.gz JUTMOAKGFNNWBV-GPJFCIFZSA-N 2 0 343.515 2.364 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001282923506 1325836544 /nfs/dbraw/zinc/83/65/44/1325836544.db2.gz GCBSFLIXYQZDLK-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283174190 1325944737 /nfs/dbraw/zinc/94/47/37/1325944737.db2.gz RARKULBAQPWCMN-BEFAXECRSA-N 2 0 344.503 2.106 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001283417296 1326058810 /nfs/dbraw/zinc/05/88/10/1326058810.db2.gz TWPUJKXGZCKWMG-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(Cl)n2)C[C@H]1C ZINC001284014565 1326362921 /nfs/dbraw/zinc/36/29/21/1326362921.db2.gz BVQJJPRBAQPGBH-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CCC[N@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001284957680 1326794931 /nfs/dbraw/zinc/79/49/31/1326794931.db2.gz MVKYSWRKBQRFDV-SFHVURJKSA-N 2 0 325.472 2.357 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001491850664 1330273911 /nfs/dbraw/zinc/27/39/11/1330273911.db2.gz WHESCIMVHGWILJ-KRWDZBQOSA-N 2 0 342.487 2.448 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887454 1330290000 /nfs/dbraw/zinc/29/00/00/1330290000.db2.gz YHFDSHGSBSBMIG-ROUUACIJSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491897296 1330294733 /nfs/dbraw/zinc/29/47/33/1330294733.db2.gz VEZIIZQSDACAFJ-HZPDHXFCSA-N 2 0 336.480 2.149 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccc(F)cn1 ZINC001492144001 1331005138 /nfs/dbraw/zinc/00/51/38/1331005138.db2.gz OQUSXVOISNTGSQ-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001492154684 1331017595 /nfs/dbraw/zinc/01/75/95/1331017595.db2.gz RMJJWQXBBUTVEG-BRWVUGGUSA-N 2 0 348.491 2.184 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)c1 ZINC001492302992 1331141806 /nfs/dbraw/zinc/14/18/06/1331141806.db2.gz GQJXVJHJIGTZKD-HKUYNNGSSA-N 2 0 345.487 2.260 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001316812025 1331908323 /nfs/dbraw/zinc/90/83/23/1331908323.db2.gz WWDMFVJAOWQQDA-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C2CC2)no1 ZINC001316825520 1331916677 /nfs/dbraw/zinc/91/66/77/1331916677.db2.gz RXJRHPBMZSEFQS-SFHVURJKSA-N 2 0 348.491 2.363 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001316946761 1332008832 /nfs/dbraw/zinc/00/88/32/1332008832.db2.gz CMVGUIAWUVQTAD-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001317105825 1332082126 /nfs/dbraw/zinc/08/21/26/1332082126.db2.gz WCEYPYXLKOTEJE-KSZLIROESA-N 2 0 333.451 2.089 10 0 EEAERP CCc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001317307800 1332173201 /nfs/dbraw/zinc/17/32/01/1332173201.db2.gz SGNIPBIZEICVFA-HKUYNNGSSA-N 2 0 347.503 2.159 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCCCF)C2)CC1 ZINC001317354363 1332191764 /nfs/dbraw/zinc/19/17/64/1332191764.db2.gz IGYYLLGQWCXRHX-DLBZAZTESA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001317371312 1332200033 /nfs/dbraw/zinc/20/00/33/1332200033.db2.gz UFYPQQVCYKYYKZ-IBGZPJMESA-N 2 0 329.488 2.495 10 0 EEAERP COCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317876937 1332439325 /nfs/dbraw/zinc/43/93/25/1332439325.db2.gz QYOMFKICDIBJBC-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)on1 ZINC001318828850 1332605952 /nfs/dbraw/zinc/60/59/52/1332605952.db2.gz VUTLFJGACLQTDK-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC001318989451 1332633365 /nfs/dbraw/zinc/63/33/65/1332633365.db2.gz XNHSEMFICDQXNH-RTBURBONSA-N 2 0 345.487 2.056 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCCc1ccccc1 ZINC001319190030 1332662749 /nfs/dbraw/zinc/66/27/49/1332662749.db2.gz RNCKRYBYWZSJRD-PXNSSMCTSA-N 2 0 343.515 2.303 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001319437598 1332701144 /nfs/dbraw/zinc/70/11/44/1332701144.db2.gz WEEIUGUKFAFJIO-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001320150945 1332839101 /nfs/dbraw/zinc/83/91/01/1332839101.db2.gz DYRHKUDGBNOQGB-XDHNQJSPSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320371725 1332869834 /nfs/dbraw/zinc/86/98/34/1332869834.db2.gz LYELDKAYBXDWMC-KBXCAEBGSA-N 2 0 328.460 2.247 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001320444670 1332885039 /nfs/dbraw/zinc/88/50/39/1332885039.db2.gz BYPHDOUYBLSWFN-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1sc(C)nc1C)[NH+](C)C ZINC001320463044 1332889040 /nfs/dbraw/zinc/88/90/40/1332889040.db2.gz DGKZKRQPLUHGER-BXUZGUMPSA-N 2 0 326.510 2.085 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320891449 1332973376 /nfs/dbraw/zinc/97/33/76/1332973376.db2.gz JHBIVEBQOODZFJ-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CC[NH2+]CCCc1cccc(C)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320920501 1332979382 /nfs/dbraw/zinc/97/93/82/1332979382.db2.gz FHTMKGAGJUOLSE-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321056201 1333007425 /nfs/dbraw/zinc/00/74/25/1333007425.db2.gz CENUZSRVVHUJBK-DKRLNXSXSA-N 2 0 348.491 2.180 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1Cl ZINC001321222013 1333047848 /nfs/dbraw/zinc/04/78/48/1333047848.db2.gz JEGGRMYJMRAMEB-ARJAWSKDSA-N 2 0 327.831 2.193 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001321248332 1333054416 /nfs/dbraw/zinc/05/44/16/1333054416.db2.gz BEULUBLSFBXJQX-QDNWOOLPSA-N 2 0 333.451 2.491 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c1 ZINC001321284673 1333064184 /nfs/dbraw/zinc/06/41/84/1333064184.db2.gz HBNHWHFCEWUKPJ-GDIRUBCPSA-N 2 0 342.487 2.169 10 0 EEAERP CCc1ccccc1CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394495 1333094140 /nfs/dbraw/zinc/09/41/40/1333094140.db2.gz XLCQJYQOLOFAOV-LIXSYLKWSA-N 2 0 329.488 2.005 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1sccc1C[NH+](C)C ZINC001321867058 1333170853 /nfs/dbraw/zinc/17/08/53/1333170853.db2.gz PLIRXPGBRYTTTO-DZGCQCFKSA-N 2 0 339.505 2.087 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322565964 1333284402 /nfs/dbraw/zinc/28/44/02/1333284402.db2.gz JYBHLBXYFIBELK-HZPDHXFCSA-N 2 0 343.462 2.487 10 0 EEAERP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001322661701 1333302895 /nfs/dbraw/zinc/30/28/95/1333302895.db2.gz IHBWFMOCFGRBNW-WMZOPIPTSA-N 2 0 347.503 2.364 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001322792636 1333327247 /nfs/dbraw/zinc/32/72/47/1333327247.db2.gz KFEYVGIBOBZPKS-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001324273650 1333647054 /nfs/dbraw/zinc/64/70/54/1333647054.db2.gz NPALPBKNNSQJOL-AWEZNQCLSA-N 2 0 335.414 2.395 10 0 EEAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001413846969 1333853386 /nfs/dbraw/zinc/85/33/86/1333853386.db2.gz IDPUTBBYJIXQGF-FHWLQOOXSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C[NH2+]CCCF ZINC001325598303 1333920723 /nfs/dbraw/zinc/92/07/23/1333920723.db2.gz JFKHGPUUGUDIRL-MAUKXSAKSA-N 2 0 335.467 2.406 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001326363060 1334076396 /nfs/dbraw/zinc/07/63/96/1334076396.db2.gz DYJJNHRRASFWFK-KRWDZBQOSA-N 2 0 346.519 2.388 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001326429154 1334091951 /nfs/dbraw/zinc/09/19/51/1334091951.db2.gz AEXGRAOIJAIGLA-WOJBJXKFSA-N 2 0 343.515 2.317 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCOCC1)[NH+](C)C ZINC001327669250 1334330791 /nfs/dbraw/zinc/33/07/91/1334330791.db2.gz FUROYLJPJVBXLX-MRXNPFEDSA-N 2 0 341.540 2.408 10 0 EEAERP CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001328207142 1334415207 /nfs/dbraw/zinc/41/52/07/1334415207.db2.gz JALUPTDFFZTKQM-MRXNPFEDSA-N 2 0 341.540 2.096 10 0 EEAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001330431648 1334843482 /nfs/dbraw/zinc/84/34/82/1334843482.db2.gz UQDWCFITZTYKGR-SJLPKXTDSA-N 2 0 349.519 2.034 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001330649648 1334882320 /nfs/dbraw/zinc/88/23/20/1334882320.db2.gz AHCUAVDWAYCTOG-JCNLHEQBSA-N 2 0 337.895 2.319 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccnc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330899981 1334923931 /nfs/dbraw/zinc/92/39/31/1334923931.db2.gz NCNYTWZIGAWSMD-RYRKJORJSA-N 2 0 332.492 2.186 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001330976776 1334939488 /nfs/dbraw/zinc/93/94/88/1334939488.db2.gz LYCFGQGZAMWULI-NVXWUHKLSA-N 2 0 333.476 2.021 10 0 EEAERP C[N@H+](CCOCC1CCC1)C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001331029184 1334948585 /nfs/dbraw/zinc/94/85/85/1334948585.db2.gz NRLBAKWLYKLVGE-UHFFFAOYSA-N 2 0 348.491 2.082 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001331456173 1335017134 /nfs/dbraw/zinc/01/71/34/1335017134.db2.gz SDIIMHPZWPPFNG-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001332184905 1335757131 /nfs/dbraw/zinc/75/71/31/1335757131.db2.gz LRJQTRLJZVXXAE-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCOC2CCC2)C(C)(C)C)CC[N@@H+]1C ZINC001332805414 1335910592 /nfs/dbraw/zinc/91/05/92/1335910592.db2.gz CCQSISMLBRNTNS-OIISXLGYSA-N 2 0 339.524 2.016 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001332837481 1335916564 /nfs/dbraw/zinc/91/65/64/1335916564.db2.gz LEWWJTYBPIUFLC-OAHLLOKOSA-N 2 0 327.513 2.018 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001333119361 1335965932 /nfs/dbraw/zinc/96/59/32/1335965932.db2.gz IGZYXMSOGLROID-NRXISQOPSA-N 2 0 338.883 2.154 10 0 EEAERP CCc1noc(C)c1C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001333457742 1336050907 /nfs/dbraw/zinc/05/09/07/1336050907.db2.gz MIUPLWJOLZFMDB-UHFFFAOYSA-N 2 0 348.491 2.134 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCOc1ccccc1 ZINC001480525582 1338296253 /nfs/dbraw/zinc/29/62/53/1338296253.db2.gz KRCHNCMKBLMMDM-BZSNNMDCSA-N 2 0 347.503 2.280 10 0 EEAERP C[NH+]1CCN(C2CC[NH+](C[C@@H]3CCCC34CCOCC4)CC2)CC1 ZINC001414025558 1339130567 /nfs/dbraw/zinc/13/05/67/1339130567.db2.gz LOCBMCPFRKOIQF-SFHVURJKSA-N 2 0 335.536 2.295 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC001433892067 1341714378 /nfs/dbraw/zinc/71/43/78/1341714378.db2.gz SXRDNUDBDIDCMB-WCXIOVBPSA-N 2 0 339.549 2.145 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(F)c1F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668555905 1355962342 /nfs/dbraw/zinc/96/23/42/1355962342.db2.gz YSJOFYOVKKXXIJ-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CC1([NH+]2CCCC2)CCC(NC(=O)NCc2cccnc2N)CC1 ZINC001434832528 1341955745 /nfs/dbraw/zinc/95/57/45/1341955745.db2.gz CJVMKDKLZCGPOB-UHFFFAOYSA-N 2 0 331.464 2.260 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1C[C@@H]1CCC(F)(F)C1 ZINC001436332914 1342036897 /nfs/dbraw/zinc/03/68/97/1342036897.db2.gz KVMZGDLKEFPZEW-HUUCEWRRSA-N 2 0 331.451 2.295 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001436384629 1342063985 /nfs/dbraw/zinc/06/39/85/1342063985.db2.gz YKRBLKUFQPIPFP-VQHPVUNQSA-N 2 0 327.488 2.339 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CCCCCF)C2)CC1 ZINC001566630812 1342586398 /nfs/dbraw/zinc/58/63/98/1342586398.db2.gz YXAPCFHIJJHQDY-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001566677523 1342599055 /nfs/dbraw/zinc/59/90/55/1342599055.db2.gz PXUYLSUVKDNJFC-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962784 1342666547 /nfs/dbraw/zinc/66/65/47/1342666547.db2.gz LUNDPFOMQMJWLF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567172611 1342704113 /nfs/dbraw/zinc/70/41/13/1342704113.db2.gz OYZHEMURBGLYST-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001569995376 1342993320 /nfs/dbraw/zinc/99/33/20/1342993320.db2.gz SSATUACWRJTRKP-KKTNHOPESA-N 2 0 327.900 2.442 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCOc2cccc(C)c2)C1 ZINC001570358395 1343060701 /nfs/dbraw/zinc/06/07/01/1343060701.db2.gz DBPWVKVWSFAIFN-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001571136311 1343163919 /nfs/dbraw/zinc/16/39/19/1343163919.db2.gz GYIGLCDNQMFELY-HAYRUFQQSA-N 2 0 345.834 2.118 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)C[NH+]1CCCC1 ZINC001676781735 1357198670 /nfs/dbraw/zinc/19/86/70/1357198670.db2.gz CVPYSRUEOHUMBZ-LPHOPBHVSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001649452163 1353512700 /nfs/dbraw/zinc/51/27/00/1353512700.db2.gz XLCHIMPOXVIVOO-MRXNPFEDSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(F)(F)CC[C@H]1C ZINC001650542240 1353981904 /nfs/dbraw/zinc/98/19/04/1353981904.db2.gz GUMUYLQXMKYJND-UONOGXRCSA-N 2 0 334.455 2.088 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC001652662145 1354099003 /nfs/dbraw/zinc/09/90/03/1354099003.db2.gz LOOUSCRARIZMTI-MRXNPFEDSA-N 2 0 343.512 2.334 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1ncccc1C ZINC001660536085 1354484060 /nfs/dbraw/zinc/48/40/60/1354484060.db2.gz CWVCGISJCHKYNZ-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001661718519 1354679667 /nfs/dbraw/zinc/67/96/67/1354679667.db2.gz LNUNNVSCIXEUQB-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001662238652 1354767452 /nfs/dbraw/zinc/76/74/52/1354767452.db2.gz BIZLMBCAMUITKZ-VXGBXAGGSA-N 2 0 336.307 2.149 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001662680910 1354825427 /nfs/dbraw/zinc/82/54/27/1354825427.db2.gz VHIWUAGDIVJXSL-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001662713312 1354830620 /nfs/dbraw/zinc/83/06/20/1354830620.db2.gz ZSYKSWJDIAUEFX-GOSISDBHSA-N 2 0 331.504 2.411 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001662767471 1354841628 /nfs/dbraw/zinc/84/16/28/1354841628.db2.gz PVUVLANEZDZXBZ-CVEARBPZSA-N 2 0 344.459 2.310 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001663113346 1354917900 /nfs/dbraw/zinc/91/79/00/1354917900.db2.gz AWOIRPDOMYBZQF-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)C[NH+]2CC[C@H](C)C2)C(C)C)c1 ZINC001664539659 1355189909 /nfs/dbraw/zinc/18/99/09/1355189909.db2.gz XBXBUKGSDZCJFT-KRWDZBQOSA-N 2 0 346.519 2.449 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001665736725 1355377493 /nfs/dbraw/zinc/37/74/93/1355377493.db2.gz DZJAEFJARZBYNS-GOSISDBHSA-N 2 0 332.492 2.236 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001666110307 1355453948 /nfs/dbraw/zinc/45/39/48/1355453948.db2.gz GOFUMHMTYFWDKH-GWBWQHIQSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001666167079 1355473206 /nfs/dbraw/zinc/47/32/06/1355473206.db2.gz BWMAAJWZRUNDEO-ROUUACIJSA-N 2 0 344.503 2.060 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cscn2)CC1 ZINC001666256298 1355497010 /nfs/dbraw/zinc/49/70/10/1355497010.db2.gz IBKFTNQIIXSUHZ-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F)C1 ZINC001666604864 1355551438 /nfs/dbraw/zinc/55/14/38/1355551438.db2.gz BNPUAZLJMNMAAF-KBPBESRZSA-N 2 0 337.430 2.403 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)CCC[NH+](C)C ZINC001666976616 1355625348 /nfs/dbraw/zinc/62/53/48/1355625348.db2.gz IEQVFDGBUCKEGZ-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2ncc[nH]2)s1 ZINC001667296465 1355702016 /nfs/dbraw/zinc/70/20/16/1355702016.db2.gz NIOVALSDFHDHHL-CQSZACIVSA-N 2 0 347.488 2.278 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)CC[NH+](C)C ZINC001668198074 1355897554 /nfs/dbraw/zinc/89/75/54/1355897554.db2.gz SXZDSMHITYNDMQ-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669140208 1356105167 /nfs/dbraw/zinc/10/51/67/1356105167.db2.gz WULUNZSNSQIZHK-WOMSROEHSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001669188864 1356120138 /nfs/dbraw/zinc/12/01/38/1356120138.db2.gz JKFYWFVDRCTYDH-PUWCWTCHSA-N 2 0 337.414 2.240 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669399789 1356154956 /nfs/dbraw/zinc/15/49/56/1356154956.db2.gz OFGGXDVEZACHBH-CRAIPNDOSA-N 2 0 345.503 2.108 10 0 EEAERP COCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001669882856 1356231312 /nfs/dbraw/zinc/23/13/12/1356231312.db2.gz RDOHMHXTYPDHTL-QAPCUYQASA-N 2 0 345.503 2.062 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccn1)C2 ZINC001672166999 1356472491 /nfs/dbraw/zinc/47/24/91/1356472491.db2.gz XYRISUGIHIALMZ-WDSOQIARSA-N 2 0 344.503 2.283 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001672897698 1356610306 /nfs/dbraw/zinc/61/03/06/1356610306.db2.gz VDFWXIYRAFPXFX-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001672916382 1356613873 /nfs/dbraw/zinc/61/38/73/1356613873.db2.gz OZSRDTNVIGTIHE-MRXNPFEDSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673168487 1356651322 /nfs/dbraw/zinc/65/13/22/1356651322.db2.gz NPBPNJBDPVUOLS-KRWDZBQOSA-N 2 0 337.508 2.057 10 0 EEAERP CCC1([NH2+]Cc2cncn2C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001673621856 1356719034 /nfs/dbraw/zinc/71/90/34/1356719034.db2.gz RTPFOCMGMFHQDZ-UHFFFAOYSA-N 2 0 349.523 2.013 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CCC(F)(F)F)C1 ZINC001674551025 1356856909 /nfs/dbraw/zinc/85/69/09/1356856909.db2.gz IALMQYGGOBGTRY-RUXDESIVSA-N 2 0 335.414 2.298 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674686280 1356875687 /nfs/dbraw/zinc/87/56/87/1356875687.db2.gz DLBWGQPPGXEXBA-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCCc1cccc(F)c1 ZINC001698737243 1405036153 /nfs/dbraw/zinc/03/61/53/1405036153.db2.gz GYKDXKCVGYLNKB-QAPCUYQASA-N 2 0 335.467 2.194 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001698765443 1405050665 /nfs/dbraw/zinc/05/06/65/1405050665.db2.gz MVJWUCYMHRXYIM-KRWDZBQOSA-N 2 0 345.531 2.475 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698862498 1405117803 /nfs/dbraw/zinc/11/78/03/1405117803.db2.gz ZJFGPIXATCQBNF-CHWSQXEVSA-N 2 0 338.323 2.347 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699383765 1405345277 /nfs/dbraw/zinc/34/52/77/1405345277.db2.gz UYDSWKQCCZKHFR-VQIMIIECSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001699540089 1405378602 /nfs/dbraw/zinc/37/86/02/1405378602.db2.gz NPCVIVQBGHVEKH-UHFFFAOYSA-N 2 0 344.503 2.265 10 0 EEAERP O=C(NCC1([NH2+]CCC2=CCCCC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001699650911 1405430783 /nfs/dbraw/zinc/43/07/83/1405430783.db2.gz GRKQFZJASIYCHS-GOSISDBHSA-N 2 0 331.504 2.457 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000809948303 783548922 /nfs/dbraw/zinc/54/89/22/783548922.db2.gz YWDOMKABBUOART-PXNSSMCTSA-N 2 0 349.494 2.488 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ccc(Br)cn2)C[C@H]1C[NH+](C)C ZINC000706007091 784887931 /nfs/dbraw/zinc/88/79/31/784887931.db2.gz NUULPZWPXOLVIJ-CHWSQXEVSA-N 2 0 341.297 2.020 10 0 EEAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)CCO2 ZINC000817982809 785130458 /nfs/dbraw/zinc/13/04/58/785130458.db2.gz HPSMQNRTMGOOOR-MNNVXMFVSA-N 2 0 329.488 2.489 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000819060393 785380463 /nfs/dbraw/zinc/38/04/63/785380463.db2.gz HPMWGPOBTVBCAC-WOJBJXKFSA-N 2 0 333.520 2.198 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819059386 785380832 /nfs/dbraw/zinc/38/08/32/785380832.db2.gz XUWKNQOYIPLGKF-ICSRJNTNSA-N 2 0 333.520 2.200 10 0 EEAERP Cc1cccc2c1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C2 ZINC000820074960 785798630 /nfs/dbraw/zinc/79/86/30/785798630.db2.gz PMVWMYBAYYIKJL-KRWDZBQOSA-N 2 0 346.519 2.335 10 0 EEAERP COC(C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)OC ZINC000585116520 786472158 /nfs/dbraw/zinc/47/21/58/786472158.db2.gz ZMHXOJGTLYTSAG-IYBDPMFKSA-N 2 0 336.476 2.347 10 0 EEAERP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711278039 788585173 /nfs/dbraw/zinc/58/51/73/788585173.db2.gz DEAMZGSLGNXNIU-QZTJIDSGSA-N 2 0 329.488 2.355 10 0 EEAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@]2(C)C1 ZINC000913284493 788761986 /nfs/dbraw/zinc/76/19/86/788761986.db2.gz USCMDYIPUDCLSC-FFZOFVMBSA-N 2 0 333.520 2.441 10 0 EEAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(S(C)(=O)=O)cc1 ZINC000923313049 789350757 /nfs/dbraw/zinc/35/07/57/789350757.db2.gz CGSNIDLZIXOKOA-ALOPSCKCSA-N 2 0 336.501 2.443 10 0 EEAERP O=C1N[C@@H]2C[N@H+](C[C@@H]3CC4CCC3CC4)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923376850 789458820 /nfs/dbraw/zinc/45/88/20/789458820.db2.gz BUIYBQFFKAAVNZ-JGSFCUDISA-N 2 0 346.519 2.033 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923502041 789687535 /nfs/dbraw/zinc/68/75/35/789687535.db2.gz WMKJJLIMNOXOAT-AYBZRNKSSA-N 2 0 329.488 2.439 10 0 EEAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000913637915 794011471 /nfs/dbraw/zinc/01/14/71/794011471.db2.gz PFIIZXIZLUUYPU-SFHVURJKSA-N 2 0 339.483 2.253 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000913980868 794689387 /nfs/dbraw/zinc/68/93/87/794689387.db2.gz BMWSZUQPNYNRLU-SFHVURJKSA-N 2 0 345.491 2.000 10 0 EEAERP c1ccc(C[N@H+]2CCCN(CC[NH+]3CCCC3)CCOCC2)cc1 ZINC001176497544 798474276 /nfs/dbraw/zinc/47/42/76/798474276.db2.gz YMNLEILLPLHQTJ-UHFFFAOYSA-N 2 0 331.504 2.307 10 0 EEAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000922291705 800312287 /nfs/dbraw/zinc/31/22/87/800312287.db2.gz HGWZBIMNKXPYOI-DAWZGUTISA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000922558804 801293384 /nfs/dbraw/zinc/29/33/84/801293384.db2.gz WYFXLOJAHKTKDZ-PBHICJAKSA-N 2 0 336.911 2.274 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000808454625 812645495 /nfs/dbraw/zinc/64/54/95/812645495.db2.gz RXRYHRJMNZNYTN-MJGOQNOKSA-N 2 0 336.395 2.160 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001566508926 1125678076 /nfs/dbraw/zinc/67/80/76/1125678076.db2.gz VQVAEBXQVMSQPR-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCc1ccc(Cl)cc1 ZINC001566516333 1125687091 /nfs/dbraw/zinc/68/70/91/1125687091.db2.gz HOUDLVKUCDLMJZ-INIZCTEOSA-N 2 0 337.895 2.272 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H]1CCc2ccccc2C1 ZINC001566516222 1125688178 /nfs/dbraw/zinc/68/81/78/1125688178.db2.gz CWDFFKHWXYSJIC-YLJYHZDGSA-N 2 0 343.515 2.181 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC001436699080 1088160848 /nfs/dbraw/zinc/16/08/48/1088160848.db2.gz LXQRLUHEWPGACO-SJORKVTESA-N 2 0 339.524 2.065 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001436761902 1088283893 /nfs/dbraw/zinc/28/38/93/1088283893.db2.gz ZTBWMHWTRDNLRH-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436804286 1088384181 /nfs/dbraw/zinc/38/41/81/1088384181.db2.gz CVIQGKSJHHPBQO-CRAIPNDOSA-N 2 0 327.488 2.339 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCF)C2)C1 ZINC001436836577 1088463838 /nfs/dbraw/zinc/46/38/38/1088463838.db2.gz ATFZKQQHRXERFS-IRXDYDNUSA-N 2 0 327.488 2.248 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](CCF)C1)c1ccccc1 ZINC001437015915 1088801468 /nfs/dbraw/zinc/80/14/68/1088801468.db2.gz YCDRHXOABCHRMI-WMZOPIPTSA-N 2 0 335.467 2.477 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001437061250 1088968289 /nfs/dbraw/zinc/96/82/89/1088968289.db2.gz DEQUHVTXZXDRDV-GOEBONIOSA-N 2 0 348.491 2.184 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]21 ZINC001437083223 1089025524 /nfs/dbraw/zinc/02/55/24/1089025524.db2.gz XHHLUNMOKDHMBJ-XTLBNRTFSA-N 2 0 339.483 2.232 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437260689 1089402659 /nfs/dbraw/zinc/40/26/59/1089402659.db2.gz JDASPFYDDZPOIV-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001437380221 1089628974 /nfs/dbraw/zinc/62/89/74/1089628974.db2.gz FRSMZALCIYCZKA-ZFWWWQNUSA-N 2 0 336.480 2.014 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001437737672 1090297884 /nfs/dbraw/zinc/29/78/84/1090297884.db2.gz CUXQKCHKEXQZJO-KRWDZBQOSA-N 2 0 335.517 2.215 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCCN(Cc1ccns1)C1CC1 ZINC001437796122 1090380918 /nfs/dbraw/zinc/38/09/18/1090380918.db2.gz YVRHCCVMJQGZEY-AWEZNQCLSA-N 2 0 336.505 2.098 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001437902728 1090483120 /nfs/dbraw/zinc/48/31/20/1090483120.db2.gz IFWKSUDJWLKKBH-QZTJIDSGSA-N 2 0 344.503 2.155 10 0 EEAERP C[N@H+](CCCF)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001437995358 1090596449 /nfs/dbraw/zinc/59/64/49/1090596449.db2.gz ZXKRNXTXRPVTKD-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncsc1C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001438005808 1090605244 /nfs/dbraw/zinc/60/52/44/1090605244.db2.gz YJECYGROWNVWSZ-UHFFFAOYSA-N 2 0 338.521 2.074 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001438203939 1090694519 /nfs/dbraw/zinc/69/45/19/1090694519.db2.gz BSEZFZKNQCAMER-MSOLQXFVSA-N 2 0 335.467 2.365 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1conc1C ZINC001438337520 1090813226 /nfs/dbraw/zinc/81/32/26/1090813226.db2.gz CQHVXAHURSTBHC-WBVHZDCISA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001438483661 1090986087 /nfs/dbraw/zinc/98/60/87/1090986087.db2.gz BQWJVYCFXDIKDI-AYOQOUSVSA-N 2 0 347.503 2.267 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001438484835 1090987256 /nfs/dbraw/zinc/98/72/56/1090987256.db2.gz CBYXUWBNXQQIKY-UZLBHIALSA-N 2 0 343.515 2.487 10 0 EEAERP CCC(CC)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001438583516 1091070878 /nfs/dbraw/zinc/07/08/78/1091070878.db2.gz VYSOLCGVINSPSD-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC1([NH2+]Cc2cccc(F)c2)CCCC1)C12CC[NH+](CC1)C2 ZINC001438614805 1091103818 /nfs/dbraw/zinc/10/38/18/1091103818.db2.gz VRQOFCYUHMITLM-UHFFFAOYSA-N 2 0 345.462 2.440 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001445428969 1091185444 /nfs/dbraw/zinc/18/54/44/1091185444.db2.gz NEBVNMHRLJKARE-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001445447964 1091210696 /nfs/dbraw/zinc/21/06/96/1091210696.db2.gz QBKYRQAHTGGXEH-HIFRSBDPSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)sc1C ZINC001438770955 1091354498 /nfs/dbraw/zinc/35/44/98/1091354498.db2.gz KSLVNMFOKAQVSQ-WFASDCNBSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C\Cl ZINC001438837918 1091466928 /nfs/dbraw/zinc/46/69/28/1091466928.db2.gz UTQPROUDUPXLGA-DQLFRSJESA-N 2 0 336.307 2.378 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439140133 1091784010 /nfs/dbraw/zinc/78/40/10/1091784010.db2.gz ORMHWFVRPKMABC-FMKPAKJESA-N 2 0 344.459 2.467 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439151105 1091793292 /nfs/dbraw/zinc/79/32/92/1091793292.db2.gz BIYIKTCVVRIXGR-ZIAGYGMSSA-N 2 0 336.480 2.043 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC001445946977 1091885135 /nfs/dbraw/zinc/88/51/35/1091885135.db2.gz DRTGLKTWGHVHSL-SJORKVTESA-N 2 0 348.491 2.150 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001445948493 1091888373 /nfs/dbraw/zinc/88/83/73/1091888373.db2.gz KJTLGKHYAJISGX-GBESFXJTSA-N 2 0 329.488 2.401 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001445958061 1091904061 /nfs/dbraw/zinc/90/40/61/1091904061.db2.gz XQJKIHPEIBYRHD-JKSUJKDBSA-N 2 0 336.505 2.000 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1Cl ZINC001439283184 1091941428 /nfs/dbraw/zinc/94/14/28/1091941428.db2.gz CNOWKOWDKPPWST-LBPRGKRZSA-N 2 0 329.847 2.414 10 0 EEAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCOC1CCC1 ZINC001439378111 1092120337 /nfs/dbraw/zinc/12/03/37/1092120337.db2.gz IDIRGKSCKVOKRB-AEFFLSMTSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(Cl)s1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439412048 1092178709 /nfs/dbraw/zinc/17/87/09/1092178709.db2.gz SIPYODVJMPJOJW-VXGBXAGGSA-N 2 0 329.897 2.290 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001439416000 1092185087 /nfs/dbraw/zinc/18/50/87/1092185087.db2.gz FYVSPKDUCOXHSG-WBVHZDCISA-N 2 0 348.491 2.089 10 0 EEAERP O=C(NCC1([NH2+]Cc2cc(F)ccc2F)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001446168097 1092223411 /nfs/dbraw/zinc/22/34/11/1092223411.db2.gz OJTGDAAYBCRYDD-INIZCTEOSA-N 2 0 349.425 2.045 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001439458169 1092234542 /nfs/dbraw/zinc/23/45/42/1092234542.db2.gz HEUPURSDSRAJDI-RBUKOAKNSA-N 2 0 345.462 2.152 10 0 EEAERP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)COC)[NH+](CC)CC ZINC001446323626 1092517989 /nfs/dbraw/zinc/51/79/89/1092517989.db2.gz SGCLGURSBKXYGH-WNRNVDISSA-N 2 0 339.524 2.207 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001439666161 1092603993 /nfs/dbraw/zinc/60/39/93/1092603993.db2.gz BAIKATPJCXMLBA-INIZCTEOSA-N 2 0 349.425 2.286 10 0 EEAERP CC[C@H](F)C[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001439690420 1092636582 /nfs/dbraw/zinc/63/65/82/1092636582.db2.gz PLDDKXKRJBQAMM-INIZCTEOSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439854461 1092875670 /nfs/dbraw/zinc/87/56/70/1092875670.db2.gz SDHMOMQCEZBJIK-VQIMIIECSA-N 2 0 333.520 2.489 10 0 EEAERP CO[C@H](C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001439857808 1092886158 /nfs/dbraw/zinc/88/61/58/1092886158.db2.gz XLGFECQHPSUNMG-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001439863691 1092894610 /nfs/dbraw/zinc/89/46/10/1092894610.db2.gz DCUODLHQTFNCDB-YLJYHZDGSA-N 2 0 344.503 2.121 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001439946769 1093057933 /nfs/dbraw/zinc/05/79/33/1093057933.db2.gz FICNROJCIFVYIE-HXUWFJFHSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnoc1C)[NH+](C)C ZINC001440124146 1093185414 /nfs/dbraw/zinc/18/54/14/1093185414.db2.gz UHKJAXWAIMJXLZ-BZZMCLGOSA-N 2 0 348.491 2.182 10 0 EEAERP Cc1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)cc1 ZINC001448468560 1093480314 /nfs/dbraw/zinc/48/03/14/1093480314.db2.gz KZBQZPBFTOKLSA-LDLYASANSA-N 2 0 329.488 2.129 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C\Cl)C1)C12CCC[NH+]1CCC2 ZINC001448513619 1093541071 /nfs/dbraw/zinc/54/10/71/1093541071.db2.gz SANVGNNJVRXACH-ZAECQBEJSA-N 2 0 346.302 2.418 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001440383215 1093553118 /nfs/dbraw/zinc/55/31/18/1093553118.db2.gz ZTJCUMCOSWTZJJ-GUDVDZBRSA-N 2 0 329.488 2.321 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1coc(C2CC2)n1 ZINC001448558443 1093603696 /nfs/dbraw/zinc/60/36/96/1093603696.db2.gz GJKLFPXKMTWXNJ-IAGOWNOFSA-N 2 0 348.491 2.267 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001440446166 1093655736 /nfs/dbraw/zinc/65/57/36/1093655736.db2.gz IWEISISKTPPXHS-SJORKVTESA-N 2 0 333.451 2.058 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001449011474 1094011952 /nfs/dbraw/zinc/01/19/52/1094011952.db2.gz JFRAKSHLEWAPNE-ICSRJNTNSA-N 2 0 344.503 2.343 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2)[NH+](C)C ZINC001449026476 1094034113 /nfs/dbraw/zinc/03/41/13/1094034113.db2.gz HHFQJKMFFRYHQJ-ZHALLVOQSA-N 2 0 330.476 2.035 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001440815417 1094068335 /nfs/dbraw/zinc/06/83/35/1094068335.db2.gz GNQILIMKPUDUIZ-RYUDHWBXSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001440844306 1094101767 /nfs/dbraw/zinc/10/17/67/1094101767.db2.gz VYOFQNPBAIAHPA-JKSUJKDBSA-N 2 0 349.519 2.140 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2cccnc2)C1 ZINC001440963936 1094221789 /nfs/dbraw/zinc/22/17/89/1094221789.db2.gz SKJQQUQWTJSCET-FUHWJXTLSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001449278344 1094225312 /nfs/dbraw/zinc/22/53/12/1094225312.db2.gz DFRKVGSWATWEAF-UHFFFAOYSA-N 2 0 334.508 2.399 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccnc1 ZINC001440981824 1094245140 /nfs/dbraw/zinc/24/51/40/1094245140.db2.gz DDYZQGMIJJXNTP-FUHWJXTLSA-N 2 0 332.492 2.281 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001441038193 1094333222 /nfs/dbraw/zinc/33/32/22/1094333222.db2.gz POWARZQRNSMZNH-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccnc2C)C2CC2)CC[N@@H+]1C ZINC001441201827 1094562904 /nfs/dbraw/zinc/56/29/04/1094562904.db2.gz WXVLQYOPFVTJDY-GBESFXJTSA-N 2 0 344.503 2.105 10 0 EEAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441303310 1094750423 /nfs/dbraw/zinc/75/04/23/1094750423.db2.gz RPBDBMIIQWBHHX-FTWHOSCRSA-N 2 0 325.884 2.005 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441438176 1095052382 /nfs/dbraw/zinc/05/23/82/1095052382.db2.gz XLEISZNTHMYRQJ-RTBURBONSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001441468190 1095128211 /nfs/dbraw/zinc/12/82/11/1095128211.db2.gz IQASARWPJYHPHC-VQIMIIECSA-N 2 0 344.503 2.058 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC(F)(F)C3)C2)CCC1 ZINC001441492388 1095171200 /nfs/dbraw/zinc/17/12/00/1095171200.db2.gz WPUDVDBLFGGLHZ-MCIONIFRSA-N 2 0 329.435 2.143 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C)oc2C)C1)[NH+](CC)CC ZINC001441503826 1095187246 /nfs/dbraw/zinc/18/72/46/1095187246.db2.gz FWTVECZGLYIEQG-UXLLHSPISA-N 2 0 336.480 2.149 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001441515662 1095211215 /nfs/dbraw/zinc/21/12/15/1095211215.db2.gz YMZNNHVJMVFXMS-JCGIZDLHSA-N 2 0 335.467 2.493 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccnc2)C1 ZINC001441566951 1095326315 /nfs/dbraw/zinc/32/63/15/1095326315.db2.gz LMLVYZPTMQOAAD-AEFFLSMTSA-N 2 0 332.492 2.140 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001441625119 1095502403 /nfs/dbraw/zinc/50/24/03/1095502403.db2.gz UOSVANVBGASKIP-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001441817515 1095848669 /nfs/dbraw/zinc/84/86/69/1095848669.db2.gz KZDUZRAKMUHVOQ-QFBILLFUSA-N 2 0 346.519 2.172 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C3CC3)no2)C1 ZINC001441931837 1096121774 /nfs/dbraw/zinc/12/17/74/1096121774.db2.gz GPMNOQFTHUITBG-GDBMZVCRSA-N 2 0 348.491 2.268 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001441934304 1096124945 /nfs/dbraw/zinc/12/49/45/1096124945.db2.gz OGFDJGICGZXESP-AWEZNQCLSA-N 2 0 331.451 2.200 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001442142305 1096388826 /nfs/dbraw/zinc/38/88/26/1096388826.db2.gz BKJWNIOIIWQNBZ-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccn(C3CCCC3)n2)C1 ZINC001442257728 1096558269 /nfs/dbraw/zinc/55/82/69/1096558269.db2.gz XHEXTWDHYRAQIR-UHFFFAOYSA-N 2 0 347.507 2.029 10 0 EEAERP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)o1 ZINC001442263565 1096567551 /nfs/dbraw/zinc/56/75/51/1096567551.db2.gz ZTEZFIKRAJROQZ-LEOMRAHMSA-N 2 0 348.491 2.182 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001442295366 1096610956 /nfs/dbraw/zinc/61/09/56/1096610956.db2.gz NCTPYGIWVYNUPU-IAGOWNOFSA-N 2 0 347.503 2.330 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cncc(C)c1 ZINC001442756957 1097133130 /nfs/dbraw/zinc/13/31/30/1097133130.db2.gz QVMDNFQCMJNZMZ-CALCHBBNSA-N 2 0 332.492 2.201 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001442809437 1097192800 /nfs/dbraw/zinc/19/28/00/1097192800.db2.gz CRDFBIKVKABUPJ-AEFFLSMTSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC001442876547 1097269778 /nfs/dbraw/zinc/26/97/78/1097269778.db2.gz CWSAAUPJSMYQDK-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001451871019 1097998372 /nfs/dbraw/zinc/99/83/72/1097998372.db2.gz HVVCBLQKRPWFAN-UHOSZYNNSA-N 2 0 329.488 2.307 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001443979363 1098496289 /nfs/dbraw/zinc/49/62/89/1098496289.db2.gz HSPYEWHFSGQIMT-CRAIPNDOSA-N 2 0 342.487 2.494 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ocnc1C ZINC001444002911 1098517918 /nfs/dbraw/zinc/51/79/18/1098517918.db2.gz JVBWMPKDKITZKL-HOTGVXAUSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001444382595 1098968046 /nfs/dbraw/zinc/96/80/46/1098968046.db2.gz CPSGGWGSUQQCGJ-KDOFPFPSSA-N 2 0 345.462 2.251 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479790518 1098995060 /nfs/dbraw/zinc/99/50/60/1098995060.db2.gz MXJLBXCGDQKAOM-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)c1cnc(C)cn1 ZINC001479847522 1099142095 /nfs/dbraw/zinc/14/20/95/1099142095.db2.gz OEDIWMGZXHZRFV-SJLPKXTDSA-N 2 0 347.507 2.159 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(F)c(F)c1 ZINC001479860554 1099173225 /nfs/dbraw/zinc/17/32/25/1099173225.db2.gz KWKMPBYADVATJG-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001479906081 1099294169 /nfs/dbraw/zinc/29/41/69/1099294169.db2.gz LPAKUWILSVSSAR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1)[NH+](C)C ZINC001444536643 1099310082 /nfs/dbraw/zinc/31/00/82/1099310082.db2.gz NNEUULSQBMFDNS-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001480209644 1099817191 /nfs/dbraw/zinc/81/71/91/1099817191.db2.gz YFCADCMYUWIHBL-BBWFWOEESA-N 2 0 333.451 2.437 10 0 EEAERP C[C@H](F)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001444844571 1099819513 /nfs/dbraw/zinc/81/95/13/1099819513.db2.gz ZYHLMKMNCLTXMU-DOTOQJQBSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCc3cccs3)C2)C1 ZINC001480263239 1099947830 /nfs/dbraw/zinc/94/78/30/1099947830.db2.gz MAQQCXFSEIQHDC-IAGOWNOFSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C(C)C)o1 ZINC001444907836 1099976510 /nfs/dbraw/zinc/97/65/10/1099976510.db2.gz YWKHBEKQQLZKMD-INIZCTEOSA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001480293378 1100005991 /nfs/dbraw/zinc/00/59/91/1100005991.db2.gz OAIMDYFGCUNHJX-IAGOWNOFSA-N 2 0 327.488 2.296 10 0 EEAERP CCc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001444935169 1100040501 /nfs/dbraw/zinc/04/05/01/1100040501.db2.gz RAXIBRLEXUCPJP-MOPGFXCFSA-N 2 0 331.504 2.431 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001445070905 1100275223 /nfs/dbraw/zinc/27/52/23/1100275223.db2.gz IMHNUNIAIAEUQQ-INIZCTEOSA-N 2 0 345.487 2.242 10 0 EEAERP CCCOc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001480590162 1100439247 /nfs/dbraw/zinc/43/92/47/1100439247.db2.gz HRMWTLWDDMHPPA-WBVHZDCISA-N 2 0 333.476 2.021 10 0 EEAERP C[C@@](C[NH2+]CC1CCCC1)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495248181 1100942964 /nfs/dbraw/zinc/94/29/64/1100942964.db2.gz HMJOZRZGXJOZIH-QUCCMNQESA-N 2 0 333.520 2.393 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]Cc2ccsc2)C2CC2)CC1 ZINC001495277389 1100973147 /nfs/dbraw/zinc/97/31/47/1100973147.db2.gz OIDBGSNGCSYDDO-GOSISDBHSA-N 2 0 335.517 2.464 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)CC[N@@H+]1C ZINC001496396605 1100989385 /nfs/dbraw/zinc/98/93/85/1100989385.db2.gz QKEYFGTZGCPIGL-IXDOHACOSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(C)cc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001446561723 1101042961 /nfs/dbraw/zinc/04/29/61/1101042961.db2.gz NEYFWMZMVFQRTP-FQEVSTJZSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@@]1(C[NH2+]C/C(Cl)=C\Cl)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001446598482 1101092684 /nfs/dbraw/zinc/09/26/84/1101092684.db2.gz BRLCQYRQKIXGEW-NRUITVPNSA-N 2 0 334.291 2.229 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001495377680 1101097158 /nfs/dbraw/zinc/09/71/58/1101097158.db2.gz FWMBQGIXWNRQOO-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001495681848 1101426738 /nfs/dbraw/zinc/42/67/38/1101426738.db2.gz IWRPGJYTJSCGQN-KXBFYZLASA-N 2 0 346.519 2.415 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001496861189 1101624093 /nfs/dbraw/zinc/62/40/93/1101624093.db2.gz FSVPRKUHMMXZPS-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1)OC ZINC001495930913 1101781382 /nfs/dbraw/zinc/78/13/82/1101781382.db2.gz ULWCNPQKXXYKBM-MRXNPFEDSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)on1 ZINC001495938291 1101792566 /nfs/dbraw/zinc/79/25/66/1101792566.db2.gz BADWICVCGWUACC-HOTGVXAUSA-N 2 0 348.491 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccnc2)C1 ZINC001496143699 1102130541 /nfs/dbraw/zinc/13/05/41/1102130541.db2.gz FBWMSESFEYPYIZ-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497213559 1102136561 /nfs/dbraw/zinc/13/65/61/1102136561.db2.gz BTSHRQGOWKYJSU-WBVHZDCISA-N 2 0 349.523 2.107 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497476950 1102552042 /nfs/dbraw/zinc/55/20/42/1102552042.db2.gz AWXOOFFRPVYNDC-GOSISDBHSA-N 2 0 347.503 2.227 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1F ZINC001497550261 1102653863 /nfs/dbraw/zinc/65/38/63/1102653863.db2.gz YHQRWANIDMZXNV-RXYHWBRQSA-N 2 0 339.842 2.335 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2nc(C)cs2)CC1 ZINC001447565413 1102874482 /nfs/dbraw/zinc/87/44/82/1102874482.db2.gz PRKHNROTFWJBRT-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cncc(F)c2)C1 ZINC001497733537 1102984105 /nfs/dbraw/zinc/98/41/05/1102984105.db2.gz YPJYUKJKFCDVNY-OIWWRSOPSA-N 2 0 348.466 2.103 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001447905296 1103562625 /nfs/dbraw/zinc/56/26/25/1103562625.db2.gz IACRDMRIWHXSGT-KGLIPLIRSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001494155006 1103615237 /nfs/dbraw/zinc/61/52/37/1103615237.db2.gz ALKHAQJGTKSJIT-MRXNPFEDSA-N 2 0 335.467 2.366 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001447942214 1103653079 /nfs/dbraw/zinc/65/30/79/1103653079.db2.gz NTKQYFUPGJSAST-UHFFFAOYSA-N 2 0 336.480 2.102 10 0 EEAERP C[N@H+](C/C=C\c1ccccc1)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494179511 1103654142 /nfs/dbraw/zinc/65/41/42/1103654142.db2.gz FLKUGAPOKFAYRX-AWPWWVNJSA-N 2 0 341.499 2.432 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ncccc2C)C1 ZINC001448075464 1103946589 /nfs/dbraw/zinc/94/65/89/1103946589.db2.gz AZLIVGIOJCOONG-MSOLQXFVSA-N 2 0 346.519 2.449 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CCCC1(F)F ZINC001494675407 1104262878 /nfs/dbraw/zinc/26/28/78/1104262878.db2.gz HULLEQJHMJTOTN-JYJNAYRXSA-N 2 0 343.462 2.439 10 0 EEAERP Cc1nc(CN2CCCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)co1 ZINC001448265980 1104280206 /nfs/dbraw/zinc/28/02/06/1104280206.db2.gz ZBMJGVHOEKIWQC-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@@H](CC)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001494949604 1104592741 /nfs/dbraw/zinc/59/27/41/1104592741.db2.gz MSVPHYPDZNULAJ-GJZGRUSLSA-N 2 0 336.480 2.014 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001480597684 1106737320 /nfs/dbraw/zinc/73/73/20/1106737320.db2.gz SACVYOWXROUWLY-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001480658374 1106830754 /nfs/dbraw/zinc/83/07/54/1106830754.db2.gz DDIMDMPWVNCBOA-QGZVFWFLSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001480704030 1106919867 /nfs/dbraw/zinc/91/98/67/1106919867.db2.gz BRKVDNTUPISAAK-QZTJIDSGSA-N 2 0 347.507 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCOC(C)C)C1 ZINC001480727361 1106982397 /nfs/dbraw/zinc/98/23/97/1106982397.db2.gz UZCUCICNMRYZOO-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001498196943 1107062960 /nfs/dbraw/zinc/06/29/60/1107062960.db2.gz COYCAWBNWIHXPD-YJBOKZPZSA-N 2 0 335.467 2.337 10 0 EEAERP COc1cc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C)ccc1C ZINC001498457545 1107568101 /nfs/dbraw/zinc/56/81/01/1107568101.db2.gz RSWSPVGCOCQHCD-INIZCTEOSA-N 2 0 335.492 2.280 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[C@@H](C)n2ccnc2)o1 ZINC001498620166 1107824899 /nfs/dbraw/zinc/82/48/99/1107824899.db2.gz HUXXQRPNLDJXPQ-UKRRQHHQSA-N 2 0 333.436 2.330 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001498641697 1107873771 /nfs/dbraw/zinc/87/37/71/1107873771.db2.gz MISXBVCXDHNHIX-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)Cc1ccccn1 ZINC001493299429 1107888855 /nfs/dbraw/zinc/88/88/55/1107888855.db2.gz PGMFAPIUPYOXQC-UHFFFAOYSA-N 2 0 344.503 2.286 10 0 EEAERP O=C(N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001498761358 1108045828 /nfs/dbraw/zinc/04/58/28/1108045828.db2.gz RHQMLFISSWVQJS-OALUTQOASA-N 2 0 345.462 2.152 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1cccc(F)c1F)C1CC1 ZINC001498861930 1108238004 /nfs/dbraw/zinc/23/80/04/1108238004.db2.gz GPRHFAFWAFNFSV-INIZCTEOSA-N 2 0 337.414 2.045 10 0 EEAERP Cc1cccc(C)c1C[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001499066234 1108530455 /nfs/dbraw/zinc/53/04/55/1108530455.db2.gz FGTQAZHRSPTEKC-QAPCUYQASA-N 2 0 329.488 2.336 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CC2CCC3(CC3)CC2)C1 ZINC001499066686 1108530932 /nfs/dbraw/zinc/53/09/32/1108530932.db2.gz NJJLWEMTIOMUGN-SJLPKXTDSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460944082 1110329335 /nfs/dbraw/zinc/32/93/35/1110329335.db2.gz NLQBWLCKJATUMO-RTBURBONSA-N 2 0 337.552 2.277 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001463552089 1110376265 /nfs/dbraw/zinc/37/62/65/1110376265.db2.gz YSPLRPNSCJCSOZ-INIZCTEOSA-N 2 0 348.466 2.119 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001470962141 1110515200 /nfs/dbraw/zinc/51/52/00/1110515200.db2.gz HMUDDFYIVNXAFL-HXUWFJFHSA-N 2 0 337.467 2.405 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001499184510 1112167607 /nfs/dbraw/zinc/16/76/07/1112167607.db2.gz XXCRZLINBXFKIE-CXKPLTABSA-N 2 0 327.472 2.423 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC[C@H]3CC3(Cl)Cl)CC2)CC[N@@H+]1C ZINC001499231030 1112190729 /nfs/dbraw/zinc/19/07/29/1112190729.db2.gz RRQLIVNCURNOMS-FRRDWIJNSA-N 2 0 348.318 2.149 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cc(F)cc(F)c3)CC2)C1 ZINC001499422141 1112278951 /nfs/dbraw/zinc/27/89/51/1112278951.db2.gz UOURTPFLBKRFNA-CYBMUJFWSA-N 2 0 337.414 2.045 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(Cc2ccon2)C1 ZINC001499480920 1112311851 /nfs/dbraw/zinc/31/18/51/1112311851.db2.gz KFMRQBPLODXJCZ-FUHWJXTLSA-N 2 0 348.491 2.219 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1nccs1)C1CCCC1 ZINC001500126992 1112629919 /nfs/dbraw/zinc/62/99/19/1112629919.db2.gz RAXNUGSGXQNCKZ-OAHLLOKOSA-N 2 0 336.505 2.004 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001501166126 1113223920 /nfs/dbraw/zinc/22/39/20/1113223920.db2.gz HVSQNPWCMSXDBL-YVSFHVDLSA-N 2 0 327.488 2.434 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001501569428 1113386384 /nfs/dbraw/zinc/38/63/84/1113386384.db2.gz YANZJLBPJSDYQC-WMZOPIPTSA-N 2 0 348.491 2.184 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cnc(C)s2)C1 ZINC001501640934 1113411320 /nfs/dbraw/zinc/41/13/20/1113411320.db2.gz MKHNBEBVBLNWHP-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC001501681826 1113432787 /nfs/dbraw/zinc/43/27/87/1113432787.db2.gz RJKYNWDNVVAMOM-APWZRJJASA-N 2 0 347.503 2.210 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C)o1 ZINC001503022674 1113872771 /nfs/dbraw/zinc/87/27/71/1113872771.db2.gz CTUADLSAMRYCOA-NVXWUHKLSA-N 2 0 348.491 2.328 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)CCOC)c1ccccc1 ZINC001505455454 1113989665 /nfs/dbraw/zinc/98/96/65/1113989665.db2.gz BAKHAJJKFRJZAD-MOPGFXCFSA-N 2 0 347.503 2.249 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001505497782 1114024555 /nfs/dbraw/zinc/02/45/55/1114024555.db2.gz PTINCOYBROQMLD-CLRIEMFWSA-N 2 0 335.414 2.154 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001505681102 1114128138 /nfs/dbraw/zinc/12/81/38/1114128138.db2.gz JCSNBRSEVMPATI-LSDHHAIUSA-N 2 0 333.476 2.020 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001505710365 1114145095 /nfs/dbraw/zinc/14/50/95/1114145095.db2.gz POIVTQJZAYIRBJ-UONOGXRCSA-N 2 0 344.459 2.341 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C[C@@H]1CCC(F)(F)C1 ZINC001505935258 1114288148 /nfs/dbraw/zinc/28/81/48/1114288148.db2.gz DKPAKOMKIOPJHJ-UONOGXRCSA-N 2 0 331.451 2.343 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cnc(C)o1)NC(=O)C1CC[NH+](C)CC1 ZINC001506542864 1114686944 /nfs/dbraw/zinc/68/69/44/1114686944.db2.gz FIYGTYZMYHKVJE-INIZCTEOSA-N 2 0 336.480 2.089 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)C1CCC1 ZINC001506886860 1114950825 /nfs/dbraw/zinc/95/08/25/1114950825.db2.gz SRJSQNQGMMVVDG-HSFUPAIVSA-N 2 0 333.520 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001506895683 1114956562 /nfs/dbraw/zinc/95/65/62/1114956562.db2.gz CEZGUGXCUKWJFV-ZWOKBUDYSA-N 2 0 343.515 2.228 10 0 EEAERP CC[C@H](C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1)OC ZINC001506964236 1115013163 /nfs/dbraw/zinc/01/31/63/1115013163.db2.gz NWJTZSQKNJUGEW-XYJFISCASA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001507299312 1115180482 /nfs/dbraw/zinc/18/04/82/1115180482.db2.gz VDXMNDGFDZEQTM-IEBWSBKVSA-N 2 0 344.503 2.427 10 0 EEAERP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCCCCF ZINC001507381531 1115240534 /nfs/dbraw/zinc/24/05/34/1115240534.db2.gz IZSXCKJFYAONJA-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)CCc1c[nH]cn1 ZINC001507952202 1115379602 /nfs/dbraw/zinc/37/96/02/1115379602.db2.gz OXLHSZIBESGYDN-GFCCVEGCSA-N 2 0 334.386 2.415 10 0 EEAERP CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1)OC ZINC001508083190 1115415861 /nfs/dbraw/zinc/41/58/61/1115415861.db2.gz OOSFFYTWGHTAMX-RYQLBKOJSA-N 2 0 341.540 2.214 10 0 EEAERP O=C(NCC1C[NH+](CCCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001567846595 1124137616 /nfs/dbraw/zinc/13/76/16/1124137616.db2.gz ZFNYSUJBESZQNQ-UHFFFAOYSA-N 2 0 341.499 2.153 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]C/C=C/Cl ZINC001568196725 1124349847 /nfs/dbraw/zinc/34/98/47/1124349847.db2.gz XYUOTSZXRJUHKS-IQUXHOORSA-N 2 0 349.906 2.426 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001568238194 1124380033 /nfs/dbraw/zinc/38/00/33/1124380033.db2.gz YBTPCYNXGAGGEY-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001568392551 1124462575 /nfs/dbraw/zinc/46/25/75/1124462575.db2.gz RDSMMIZAUBJTFP-IRXDYDNUSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001568428237 1124496425 /nfs/dbraw/zinc/49/64/25/1124496425.db2.gz DSGQCCWLKFVVAE-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568708525 1124725533 /nfs/dbraw/zinc/72/55/33/1124725533.db2.gz JDJDSIZWGWSSIW-GDBMZVCRSA-N 2 0 329.444 2.369 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001568920604 1124948695 /nfs/dbraw/zinc/94/86/95/1124948695.db2.gz YKSKDGZOKVOXRW-QGZUEGPWSA-N 2 0 333.451 2.238 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568929392 1124960445 /nfs/dbraw/zinc/96/04/45/1124960445.db2.gz ZIHXIUIYORBEIP-ZMBJWTFHSA-N 2 0 344.503 2.415 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568949875 1124982963 /nfs/dbraw/zinc/98/29/63/1124982963.db2.gz GMFZXLFJUTXTCQ-PKVWGGKHSA-N 2 0 344.503 2.272 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001568949636 1124983036 /nfs/dbraw/zinc/98/30/36/1124983036.db2.gz FNKKRCKKPWISKB-RTLBZRNLSA-N 2 0 329.488 2.141 10 0 EEAERP CCc1noc(C)c1C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568969668 1125007487 /nfs/dbraw/zinc/00/74/87/1125007487.db2.gz NZMYREVAUKEYIV-SRLDXXQCSA-N 2 0 348.491 2.180 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001569030102 1125053227 /nfs/dbraw/zinc/05/32/27/1125053227.db2.gz DDJBZCLDWUKQCM-OAHLLOKOSA-N 2 0 349.906 2.463 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001565873597 1125446652 /nfs/dbraw/zinc/44/66/52/1125446652.db2.gz GDNIXTYGSPYQDO-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000247986268 283124190 /nfs/dbraw/zinc/12/41/90/283124190.db2.gz IGVQUZSJUGVMAJ-GBESFXJTSA-N 2 0 342.487 2.312 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+]1C ZINC000415954900 239020756 /nfs/dbraw/zinc/02/07/56/239020756.db2.gz LEQXSLHUFIWIBZ-GXTWGEPZSA-N 2 0 334.439 2.418 10 0 EEAERP COC[C@@H](CCC[NH3+])Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422955678 240305220 /nfs/dbraw/zinc/30/52/20/240305220.db2.gz MXGPRGZWXLVUSF-JTDSTZFVSA-N 2 0 335.492 2.462 10 0 EEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000022222715 212282882 /nfs/dbraw/zinc/28/28/82/212282882.db2.gz LVVGUFDBDLGSBG-AWEZNQCLSA-N 2 0 330.245 2.226 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264960727 247088935 /nfs/dbraw/zinc/08/89/35/247088935.db2.gz ASQJSKOSAUTQIN-SFHVURJKSA-N 2 0 344.503 2.039 10 0 EEAERP NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000273347155 256288634 /nfs/dbraw/zinc/28/86/34/256288634.db2.gz AHFGBHMEBLBASV-HXUWFJFHSA-N 2 0 337.467 2.469 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000248846817 160364331 /nfs/dbraw/zinc/36/43/31/160364331.db2.gz OIYRCLJEINVMMP-WDSOQIARSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1nnc2ccccn21 ZINC000248873487 160365816 /nfs/dbraw/zinc/36/58/16/160365816.db2.gz LAWSEAOGINOXPP-DOTOQJQBSA-N 2 0 336.443 2.125 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000107888027 159337681 /nfs/dbraw/zinc/33/76/81/159337681.db2.gz JJLFYLCKADAQIY-QZTJIDSGSA-N 2 0 347.478 2.496 10 0 EEAERP O=C(CCC1CC[NH2+]CC1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186575575 160076334 /nfs/dbraw/zinc/07/63/34/160076334.db2.gz FGMOFMYCJVTZGK-LJQANCHMSA-N 2 0 344.503 2.332 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CN1CC[NH+](C)CC1 ZINC000352434867 162133949 /nfs/dbraw/zinc/13/39/49/162133949.db2.gz CEYROAKHXMAWFT-QGZVFWFLSA-N 2 0 341.503 2.060 10 0 EEAERP CCn1nccc1CN(CCO)Cc1cc(-n2ccnc2)cs1 ZINC000355482446 163204789 /nfs/dbraw/zinc/20/47/89/163204789.db2.gz GXCNELRSNMVYTF-UHFFFAOYSA-N 2 0 331.445 2.145 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000356091796 163331066 /nfs/dbraw/zinc/33/10/66/163331066.db2.gz MMXOFIFWABWQPW-GDBMZVCRSA-N 2 0 338.521 2.334 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000284450941 269597187 /nfs/dbraw/zinc/59/71/87/269597187.db2.gz SNPBIDMLJCUCPN-PWIZWCRZSA-N 2 0 331.504 2.414 10 0 EEAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422691900 276110186 /nfs/dbraw/zinc/11/01/86/276110186.db2.gz JCNBGVMZJNMSKR-PMACEKPBSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000297652872 294307425 /nfs/dbraw/zinc/30/74/25/294307425.db2.gz NKFQIFYKYFKPHL-WIYYLYMNSA-N 2 0 343.515 2.446 10 0 EEAERP COc1cccc([C@@H](CNC(=O)c2ccccc2CC[NH3+])[NH+](C)C)c1 ZINC000327182626 311604626 /nfs/dbraw/zinc/60/46/26/311604626.db2.gz BBUGXFKNLHKXNZ-LJQANCHMSA-N 2 0 341.455 2.229 10 0 EEAERP COCCN(C)c1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000414813114 313095700 /nfs/dbraw/zinc/09/57/00/313095700.db2.gz LXRNASWHZGPFTH-HNNXBMFYSA-N 2 0 328.460 2.474 10 0 EEAERP C[NH2+][C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000416910246 313357554 /nfs/dbraw/zinc/35/75/54/313357554.db2.gz ZCMHHVGKUXFLNN-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000416975702 313379388 /nfs/dbraw/zinc/37/93/88/313379388.db2.gz ZOGYREIDPXTVNB-CRAIPNDOSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000417630422 313551552 /nfs/dbraw/zinc/55/15/52/313551552.db2.gz QXHWQIHNWZPPIS-HLLBOEOZSA-N 2 0 332.492 2.413 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529283768 317565341 /nfs/dbraw/zinc/56/53/41/317565341.db2.gz ROMSOHNRVWGBQI-GOEBONIOSA-N 2 0 332.448 2.000 10 0 EEAERP c1cc2c(cc1C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000530247684 317704520 /nfs/dbraw/zinc/70/45/20/317704520.db2.gz BTXZQOYTNZWDAZ-KRWDZBQOSA-N 2 0 332.444 2.048 10 0 EEAERP CN(CCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1cc[nH+]cc1 ZINC000541855804 318111947 /nfs/dbraw/zinc/11/19/47/318111947.db2.gz CPEGTZMACYBPIP-SFHVURJKSA-N 2 0 340.471 2.197 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000563374414 319002657 /nfs/dbraw/zinc/00/26/57/319002657.db2.gz PSTSYAYYQFKPSY-QGZVFWFLSA-N 2 0 345.487 2.119 10 0 EEAERP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000564847979 319117903 /nfs/dbraw/zinc/11/79/03/319117903.db2.gz RSZVLVLYOOCULO-INIZCTEOSA-N 2 0 346.393 2.420 10 0 EEAERP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000564853981 319118706 /nfs/dbraw/zinc/11/87/06/319118706.db2.gz ICMGZQBSAMIOPV-XVLXNVKGSA-N 2 0 346.471 2.234 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CC/C=C\c2cncc(OC)c2)CC1 ZINC000564905107 319125323 /nfs/dbraw/zinc/12/53/23/319125323.db2.gz HCPKJCTVXHDIQH-VURMDHGXSA-N 2 0 346.519 2.499 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC000576648280 320191934 /nfs/dbraw/zinc/19/19/34/320191934.db2.gz YWPQCYLPYBYTAN-IEBWSBKVSA-N 2 0 344.503 2.236 10 0 EEAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000576821497 320206988 /nfs/dbraw/zinc/20/69/88/320206988.db2.gz OMHRYECMNUREPM-ALOPSCKCSA-N 2 0 341.455 2.036 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479499 464247789 /nfs/dbraw/zinc/24/77/89/464247789.db2.gz DFMORIVDOJJBFC-IEBWSBKVSA-N 2 0 325.460 2.243 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590548154 468270109 /nfs/dbraw/zinc/27/01/09/468270109.db2.gz TUHJENNBCJNCPJ-UHFFFAOYSA-N 2 0 327.538 2.006 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339251262 465168196 /nfs/dbraw/zinc/16/81/96/465168196.db2.gz BTZWGSSEUKBQTH-OWCLPIDISA-N 2 0 332.492 2.239 10 0 EEAERP O[C@H]1[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC12CCOCC2 ZINC000298150394 465316337 /nfs/dbraw/zinc/31/63/37/465316337.db2.gz ROWIGLTVDGMHRM-APWZRJJASA-N 2 0 345.487 2.208 10 0 EEAERP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H]1CCCCO1 ZINC000114456784 462648614 /nfs/dbraw/zinc/64/86/14/462648614.db2.gz JEZVWTLYXXUFEF-SFHVURJKSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1nn(C)c(CC)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121156258 463089005 /nfs/dbraw/zinc/08/90/05/463089005.db2.gz WYZYBUDHWYXHJM-OAHLLOKOSA-N 2 0 336.524 2.070 10 0 EEAERP CCOCC[NH+]1CCC2(CCN(c3cc[nH+]c(C)c3)C[C@H]2CO)CC1 ZINC000097136977 463332428 /nfs/dbraw/zinc/33/24/28/463332428.db2.gz FLDGCOJTAMVQNP-SFHVURJKSA-N 2 0 347.503 2.327 10 0 EEAERP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000553166241 468354010 /nfs/dbraw/zinc/35/40/10/468354010.db2.gz CZSKPCFZJOSDEC-QFBILLFUSA-N 2 0 345.487 2.290 10 0 EEAERP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248752 463500632 /nfs/dbraw/zinc/50/06/32/463500632.db2.gz VMLMGPTVIOIEMP-IEBWSBKVSA-N 2 0 349.519 2.124 10 0 EEAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3ccccc3F)CC2)C1 ZINC000106120708 463506012 /nfs/dbraw/zinc/50/60/12/463506012.db2.gz QBXYXXOKPAKRLG-GOSISDBHSA-N 2 0 335.467 2.053 10 0 EEAERP CCOC(=O)c1cnc2ccccc2c1NC[C@@H]1CN(C)CCO1 ZINC000108945602 463630172 /nfs/dbraw/zinc/63/01/72/463630172.db2.gz PNCMWHRCNOAAND-CYBMUJFWSA-N 2 0 329.400 2.154 10 0 EEAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000111875789 463686087 /nfs/dbraw/zinc/68/60/87/463686087.db2.gz KKVMEDDCDBJCFJ-IEBWSBKVSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522832091 468376630 /nfs/dbraw/zinc/37/66/30/468376630.db2.gz GVIKMXGNASQYKY-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261907016 463894896 /nfs/dbraw/zinc/89/48/96/463894896.db2.gz IMBSKZYOZMDBTL-IPMKNSEASA-N 2 0 345.487 2.073 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261990234 463918777 /nfs/dbraw/zinc/91/87/77/463918777.db2.gz SPWULUCEEPXQJJ-ZRSRNVLSSA-N 2 0 337.552 2.490 10 0 EEAERP C[C@@]1(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CC[NH2+]C1 ZINC000262055304 463936489 /nfs/dbraw/zinc/93/64/89/463936489.db2.gz QPGBMVLHPUJKRO-SUMWQHHRSA-N 2 0 336.867 2.385 10 0 EEAERP C(CN1CCC[C@@H]1C[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172161852 464005798 /nfs/dbraw/zinc/00/57/98/464005798.db2.gz JEOUFXFBRZZVOF-WOJBJXKFSA-N 2 0 334.552 2.107 10 0 EEAERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccccc2)cc1OC ZINC000263246566 464070505 /nfs/dbraw/zinc/07/05/05/464070505.db2.gz PIKCQKCYZWPNQH-AEFFLSMTSA-N 2 0 342.439 2.041 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179191664 464077357 /nfs/dbraw/zinc/07/73/57/464077357.db2.gz LNYCYUWIUOKVBL-RBUKOAKNSA-N 2 0 344.503 2.463 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085618 464262672 /nfs/dbraw/zinc/26/26/72/464262672.db2.gz VEIWLERUJJYUHS-DOMZBBRYSA-N 2 0 329.366 2.163 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000180906201 464417508 /nfs/dbraw/zinc/41/75/08/464417508.db2.gz YIPMQNXMDPCPCL-UHFFFAOYSA-N 2 0 347.507 2.162 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833045 464455806 /nfs/dbraw/zinc/45/58/06/464455806.db2.gz CXQJCLNLRCVSSQ-MJGOQNOKSA-N 2 0 342.487 2.163 10 0 EEAERP CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000246235746 464561478 /nfs/dbraw/zinc/56/14/78/464561478.db2.gz TZWSQBGMFVQWPN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276301802 464883030 /nfs/dbraw/zinc/88/30/30/464883030.db2.gz VWAIIIMCPQFDFS-UHFFFAOYSA-N 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2.494 10 0 EEAERP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000358116372 466470048 /nfs/dbraw/zinc/47/00/48/466470048.db2.gz SSQYPXDEGZKTFC-FUHWJXTLSA-N 2 0 334.508 2.297 10 0 EEAERP C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252033 472042520 /nfs/dbraw/zinc/04/25/20/472042520.db2.gz HZQKJCXPXIYKEA-NSHDSACASA-N 2 0 331.279 2.463 10 0 EEAERP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423517686 466764191 /nfs/dbraw/zinc/76/41/91/466764191.db2.gz YMQGOCBXJSOCFC-BKVYNOPKSA-N 2 0 345.535 2.252 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417087930 466775969 /nfs/dbraw/zinc/77/59/69/466775969.db2.gz IRTYDVJPZGHUOP-QAPCUYQASA-N 2 0 344.503 2.121 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373400695 466792080 /nfs/dbraw/zinc/79/20/80/466792080.db2.gz RFMNBVLMUKIIOU-WWDZGPRUSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417221120 466807542 /nfs/dbraw/zinc/80/75/42/466807542.db2.gz NHRCFZPVDCDJKQ-VVLHAWIVSA-N 2 0 336.524 2.136 10 0 EEAERP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417735613 466920931 /nfs/dbraw/zinc/92/09/31/466920931.db2.gz LKGWFLRSBMULFZ-LZWOXQAQSA-N 2 0 338.521 2.414 10 0 EEAERP FC1(F)Oc2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2O1 ZINC000424133287 466986314 /nfs/dbraw/zinc/98/63/14/466986314.db2.gz LPZQDXMRQBXCSE-UHFFFAOYSA-N 2 0 328.359 2.210 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993745 467015085 /nfs/dbraw/zinc/01/50/85/467015085.db2.gz OHCIMQHFODJHHN-FJIDUMEYSA-N 2 0 348.535 2.280 10 0 EEAERP C[C@H]1CN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418046770 467033064 /nfs/dbraw/zinc/03/30/64/467033064.db2.gz QZPNKYAFGTUQNV-QFBILLFUSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000371020390 467073517 /nfs/dbraw/zinc/07/35/17/467073517.db2.gz XSDIGRSVTWOFNN-NSISKUIASA-N 2 0 341.499 2.424 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C[C@@H]1C ZINC000418330873 467094169 /nfs/dbraw/zinc/09/41/69/467094169.db2.gz QTUZCPFTWITUKG-WMZOPIPTSA-N 2 0 347.507 2.076 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418572792 467130432 /nfs/dbraw/zinc/13/04/32/467130432.db2.gz KRDXOFGPLOQZJW-AOIWGVFYSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000382753435 467379547 /nfs/dbraw/zinc/37/95/47/467379547.db2.gz DSRBEJUXLREJSO-MJGOQNOKSA-N 2 0 329.488 2.499 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@H](CC[NH3+])C(F)F)CC1 ZINC000414986938 467461481 /nfs/dbraw/zinc/46/14/81/467461481.db2.gz IBVYZUBPEXVUHA-MRXNPFEDSA-N 2 0 340.462 2.291 10 0 EEAERP CO[C@@]1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOC1 ZINC000449251280 467625942 /nfs/dbraw/zinc/62/59/42/467625942.db2.gz PPNCLEDEGQXXSZ-YLJYHZDGSA-N 2 0 332.488 2.477 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000458341194 467811906 /nfs/dbraw/zinc/81/19/06/467811906.db2.gz KVCXKXRQGBLEEU-SCTDSRPQSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+](C2CC2)C1 ZINC000458751309 467891833 /nfs/dbraw/zinc/89/18/33/467891833.db2.gz UZXSPRFLHIAEDO-KLHKWILBSA-N 2 0 334.508 2.129 10 0 EEAERP COCCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247975 467968440 /nfs/dbraw/zinc/96/84/40/467968440.db2.gz FORMZJDLMGBWLQ-FQEVSTJZSA-N 2 0 348.487 2.302 10 0 EEAERP c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000530248328 467968451 /nfs/dbraw/zinc/96/84/51/467968451.db2.gz IZUCKQKTSMBCAB-GOSISDBHSA-N 2 0 346.471 2.438 10 0 EEAERP Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000515166544 467976375 /nfs/dbraw/zinc/97/63/75/467976375.db2.gz UHFOMCHBLSHIOV-GOSISDBHSA-N 2 0 325.412 2.481 10 0 EEAERP CSCc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000531357924 468046974 /nfs/dbraw/zinc/04/69/74/468046974.db2.gz RHJXYLKZEPSCKJ-UHFFFAOYSA-N 2 0 341.496 2.254 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000516916580 468055702 /nfs/dbraw/zinc/05/57/02/468055702.db2.gz VQEGIMNDBZZLIH-FCEWJHQRSA-N 2 0 348.491 2.494 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccccc1C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488734288 468099995 /nfs/dbraw/zinc/09/99/95/468099995.db2.gz NANWLBKPWBTISO-JSJNYSNDSA-N 2 0 332.488 2.092 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccncc3)c2C(F)F)C1 ZINC000518458460 468116415 /nfs/dbraw/zinc/11/64/15/468116415.db2.gz YDRMWVSWDHQRTQ-GFCCVEGCSA-N 2 0 349.385 2.277 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569743520 468537263 /nfs/dbraw/zinc/53/72/63/468537263.db2.gz LGSYMSPCZXRYQH-SFHVURJKSA-N 2 0 334.423 2.473 10 0 EEAERP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000583078224 468639300 /nfs/dbraw/zinc/63/93/00/468639300.db2.gz DKQGKCWZVKGKAD-MOPGFXCFSA-N 2 0 345.487 2.131 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000570618207 468666059 /nfs/dbraw/zinc/66/60/59/468666059.db2.gz CYFUEBKDZMQZAB-UHFFFAOYSA-N 2 0 332.492 2.199 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000570769669 468687167 /nfs/dbraw/zinc/68/71/67/468687167.db2.gz VJHVTRMYHXTPOI-MRXNPFEDSA-N 2 0 343.471 2.240 10 0 EEAERP C[C@H](CSCCF)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595075293 468753208 /nfs/dbraw/zinc/75/32/08/468753208.db2.gz YEOUQHQQHMVWOI-PBHICJAKSA-N 2 0 326.481 2.434 10 0 EEAERP C[C@H]1CCCN(Cc2csc(NC(=O)CC(F)(F)CN)n2)C1 ZINC000571532616 468803388 /nfs/dbraw/zinc/80/33/88/468803388.db2.gz VSOAPENLLOTYQZ-JTQLQIEISA-N 2 0 332.420 2.298 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000562800621 469076154 /nfs/dbraw/zinc/07/61/54/469076154.db2.gz KMXSOFZIGJHBEP-YLJYHZDGSA-N 2 0 344.503 2.292 10 0 EEAERP COC(=O)CC1([NH2+]C[C@H](O)CN(C)Cc2ccccc2)CCCCC1 ZINC000610989233 469132611 /nfs/dbraw/zinc/13/26/11/469132611.db2.gz MXESOTGCIMAKEO-SFHVURJKSA-N 2 0 348.487 2.335 10 0 EEAERP O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)N(Cc1ccccc1)C1CC1 ZINC000574084569 469258046 /nfs/dbraw/zinc/25/80/46/469258046.db2.gz ODJITMJTLHAQOD-FQEVSTJZSA-N 2 0 327.472 2.253 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])c(Br)c1 ZINC000629536346 469573681 /nfs/dbraw/zinc/57/36/81/469573681.db2.gz GIEBXAQSTNFQEQ-LLVKDONJSA-N 2 0 331.254 2.474 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CC[NH+]1C1CCCC1 ZINC000629604656 469590427 /nfs/dbraw/zinc/59/04/27/469590427.db2.gz XQCKJMGYZBTQGD-PMACEKPBSA-N 2 0 331.504 2.086 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340468 469630039 /nfs/dbraw/zinc/63/00/39/469630039.db2.gz JGLMWIPTSARQTG-OALUTQOASA-N 2 0 331.504 2.350 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000626916701 469753840 /nfs/dbraw/zinc/75/38/40/469753840.db2.gz OMWRJKYJRTURTG-BPQIPLTHSA-N 2 0 330.476 2.263 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009317 469788380 /nfs/dbraw/zinc/78/83/80/469788380.db2.gz GGTDBMOGRAPRJS-XGXHKWSGSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050189 469802219 /nfs/dbraw/zinc/80/22/19/469802219.db2.gz DRSWJONYYGFSEG-AEFFLSMTSA-N 2 0 344.503 2.481 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C[NH2+]1 ZINC000627195072 469840597 /nfs/dbraw/zinc/84/05/97/469840597.db2.gz ISBHOAIJPDBULQ-FUHWJXTLSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)C[NH2+]1 ZINC000627195494 469840842 /nfs/dbraw/zinc/84/08/42/469840842.db2.gz LGCUVNKDYFNEKF-HKUYNNGSSA-N 2 0 346.519 2.333 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000624133372 469851104 /nfs/dbraw/zinc/85/11/04/469851104.db2.gz MULZIGAAPWLCLS-FVVUREQNSA-N 2 0 327.472 2.283 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000608648239 469852988 /nfs/dbraw/zinc/85/29/88/469852988.db2.gz PQYUOLGPAKJWGX-RTBURBONSA-N 2 0 344.503 2.244 10 0 EEAERP C[C@]1(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCCS1 ZINC000628213431 470077486 /nfs/dbraw/zinc/07/74/86/470077486.db2.gz KIVVTXMRYURZQK-GOSISDBHSA-N 2 0 349.548 2.254 10 0 EEAERP C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000625198220 470093759 /nfs/dbraw/zinc/09/37/59/470093759.db2.gz RZECXMXKEHFBNM-MOPGFXCFSA-N 2 0 332.488 2.106 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628746200 470148412 /nfs/dbraw/zinc/14/84/12/470148412.db2.gz YUSOJAQSPPSGHS-MRXNPFEDSA-N 2 0 333.476 2.089 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000638837303 470300525 /nfs/dbraw/zinc/30/05/25/470300525.db2.gz ZALQAMQMUYXLNM-XGXHKWSGSA-N 2 0 329.488 2.246 10 0 EEAERP C[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634771408 470303817 /nfs/dbraw/zinc/30/38/17/470303817.db2.gz UDQSCWMOFKQHHI-SAJDGTNDSA-N 2 0 341.499 2.403 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649288492 470530163 /nfs/dbraw/zinc/53/01/63/470530163.db2.gz VELGUOPCMKWJQO-MRXNPFEDSA-N 2 0 345.487 2.056 10 0 EEAERP CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649305973 470538255 /nfs/dbraw/zinc/53/82/55/470538255.db2.gz RHFBLKBDJCHBQW-DBDQLMEASA-N 2 0 327.472 2.136 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804433 470988667 /nfs/dbraw/zinc/98/86/67/470988667.db2.gz QPKNKWVFCGMPLK-DYEKYZERSA-N 2 0 345.409 2.326 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCNC2=O)CC1 ZINC000657276330 471082398 /nfs/dbraw/zinc/08/23/98/471082398.db2.gz AUYLHZIUOJBBFZ-WMZOPIPTSA-N 2 0 329.488 2.198 10 0 EEAERP Fc1cncc(Br)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000657314238 471094972 /nfs/dbraw/zinc/09/49/72/471094972.db2.gz YOIWQZWUEPTWPK-UHFFFAOYSA-N 2 0 346.244 2.185 10 0 EEAERP CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1F ZINC000651256600 471105843 /nfs/dbraw/zinc/10/58/43/471105843.db2.gz HYMSWZOGLAHNHO-KRWDZBQOSA-N 2 0 338.471 2.412 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000657572741 471172353 /nfs/dbraw/zinc/17/23/53/471172353.db2.gz DEVRPGIPLJHJGI-KRWDZBQOSA-N 2 0 329.492 2.234 10 0 EEAERP COCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000657597315 471181139 /nfs/dbraw/zinc/18/11/39/471181139.db2.gz TWVCKYHLDRWCKY-QGZVFWFLSA-N 2 0 330.428 2.282 10 0 EEAERP c1cc(N2CCN(CCC[NH2+][C@H]3CCCSCC3)CC2)cc[nH+]1 ZINC000657863588 471242225 /nfs/dbraw/zinc/24/22/25/471242225.db2.gz LCMMCQFTWBMBJO-KRWDZBQOSA-N 2 0 334.533 2.469 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)Cc1ccccc1 ZINC000660451871 471349555 /nfs/dbraw/zinc/34/95/55/471349555.db2.gz KCAGRYUWRNAWPE-KRWDZBQOSA-N 2 0 332.492 2.290 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000663506558 471403702 /nfs/dbraw/zinc/40/37/02/471403702.db2.gz VDCVXFDHISHWJK-KRWDZBQOSA-N 2 0 331.504 2.445 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000663504598 471404247 /nfs/dbraw/zinc/40/42/47/471404247.db2.gz YPBNIVUCANHMGE-DUXPYHPUSA-N 2 0 333.451 2.419 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000658980409 471456052 /nfs/dbraw/zinc/45/60/52/471456052.db2.gz MIKMXADQCYCDQL-UHFFFAOYSA-N 2 0 346.475 2.281 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659019059 471469678 /nfs/dbraw/zinc/46/96/78/471469678.db2.gz MOTBIHMJFBSLEO-KRWDZBQOSA-N 2 0 346.475 2.171 10 0 EEAERP C[C@@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1=CC[N@H+](C)CC1 ZINC000659037525 471479026 /nfs/dbraw/zinc/47/90/26/471479026.db2.gz JFPSKIQNCQSVMA-RDTXWAMCSA-N 2 0 344.459 2.119 10 0 EEAERP CCN(C(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000663698227 471481305 /nfs/dbraw/zinc/48/13/05/471481305.db2.gz ULLQZXZEMAOKGD-QFBILLFUSA-N 2 0 344.503 2.169 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659040376 471483005 /nfs/dbraw/zinc/48/30/05/471483005.db2.gz DNUKKNJSGWAJKE-ROUUACIJSA-N 2 0 346.475 2.343 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653155411 471510725 /nfs/dbraw/zinc/51/07/25/471510725.db2.gz SBHVJJCXPRILKM-NWANDNLSSA-N 2 0 343.393 2.021 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000655965050 471559100 /nfs/dbraw/zinc/55/91/00/471559100.db2.gz LQTFLHOCPOBUNE-KYNGSXCRSA-N 2 0 340.471 2.479 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)Cc1ccccc1 ZINC000659435646 471626394 /nfs/dbraw/zinc/62/63/94/471626394.db2.gz ZLMZROGZRPOODE-FDYSRKEFSA-N 2 0 344.503 2.072 10 0 EEAERP C[NH2+]C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000659454161 471635742 /nfs/dbraw/zinc/63/57/42/471635742.db2.gz XWTXACCLGDSKCS-MIGBEJBISA-N 2 0 330.476 2.089 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCC1 ZINC000659500542 471658781 /nfs/dbraw/zinc/65/87/81/471658781.db2.gz XMNCLQBPFTWNFK-UHFFFAOYSA-N 2 0 342.487 2.174 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576694 471683948 /nfs/dbraw/zinc/68/39/48/471683948.db2.gz JOWMEVIHRBPQMQ-IPMKNSEASA-N 2 0 344.503 2.258 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000659578619 471685378 /nfs/dbraw/zinc/68/53/78/471685378.db2.gz FCSLXQSHDCUOIG-GDAAHCPNSA-N 2 0 344.503 2.256 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000656790122 471841534 /nfs/dbraw/zinc/84/15/34/471841534.db2.gz LMIOVWOZKMLCDP-KPEUIFRASA-N 2 0 335.467 2.258 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000667831554 471921683 /nfs/dbraw/zinc/92/16/83/471921683.db2.gz ULOHCZLHIXLDRZ-AWEZNQCLSA-N 2 0 332.423 2.077 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000665259427 471982846 /nfs/dbraw/zinc/98/28/46/471982846.db2.gz FTZSUTKIFNJQRU-MBGYTDRXSA-N 2 0 335.467 2.352 10 0 EEAERP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253850 472044972 /nfs/dbraw/zinc/04/49/72/472044972.db2.gz WRWLYJYTMJNOQO-SFHVURJKSA-N 2 0 340.471 2.462 10 0 EEAERP c1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c2c(c1)C[NH2+]CC2 ZINC000662263127 472048681 /nfs/dbraw/zinc/04/86/81/472048681.db2.gz ZQMWXDOLBCIGGD-IBGZPJMESA-N 2 0 329.488 2.019 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662325081 472071755 /nfs/dbraw/zinc/07/17/55/472071755.db2.gz HTYWJGMKMUOOGM-SFHVURJKSA-N 2 0 349.475 2.066 10 0 EEAERP Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325275 472072828 /nfs/dbraw/zinc/07/28/28/472072828.db2.gz KSVKRMFPANWSDS-QGZVFWFLSA-N 2 0 333.476 2.366 10 0 EEAERP Cc1cc[nH+]c(NC2CC[NH+](CCN3CCOCC3)CC2)c1C1CC1 ZINC000668510894 472153262 /nfs/dbraw/zinc/15/32/62/472153262.db2.gz AHZSIBZRFVKLQB-UHFFFAOYSA-N 2 0 344.503 2.476 10 0 EEAERP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000662584165 472163679 /nfs/dbraw/zinc/16/36/79/472163679.db2.gz ZOWRQFJFCDKNBZ-YWTNHNAXSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662695316 472211789 /nfs/dbraw/zinc/21/17/89/472211789.db2.gz JSYZCLYOSAPOEN-CHWSQXEVSA-N 2 0 336.480 2.355 10 0 EEAERP C[C@H]1C[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000662747716 472233970 /nfs/dbraw/zinc/23/39/70/472233970.db2.gz CITVHRJPXGOZLA-YJBOKZPZSA-N 2 0 327.472 2.440 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662771412 472245371 /nfs/dbraw/zinc/24/53/71/472245371.db2.gz HAOCRRTVANBYTD-QYZOEREBSA-N 2 0 329.488 2.185 10 0 EEAERP CCC[C@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC[N@@H+]1CCOC ZINC000662825265 472267984 /nfs/dbraw/zinc/26/79/84/472267984.db2.gz GYNLMSIIASDBHZ-HKUYNNGSSA-N 2 0 345.487 2.180 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000662883478 472290133 /nfs/dbraw/zinc/29/01/33/472290133.db2.gz KNVQXPFSKKBZQU-MOPGFXCFSA-N 2 0 337.423 2.173 10 0 EEAERP Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657486738 485565403 /nfs/dbraw/zinc/56/54/03/485565403.db2.gz IWIZVCQQPXYMFJ-PBHICJAKSA-N 2 0 338.415 2.011 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000629571319 485735884 /nfs/dbraw/zinc/73/58/84/485735884.db2.gz RXDWATHYECLVAS-UHFFFAOYSA-N 2 0 349.244 2.135 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000676647896 486272427 /nfs/dbraw/zinc/27/24/27/486272427.db2.gz LEYGKPFOOWAMBL-MAUKXSAKSA-N 2 0 345.491 2.000 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC1(F)F ZINC000673206579 486295084 /nfs/dbraw/zinc/29/50/84/486295084.db2.gz XSLVPIARPBNDOR-AWEZNQCLSA-N 2 0 334.455 2.089 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000416137061 534416840 /nfs/dbraw/zinc/41/68/40/534416840.db2.gz RSILXIXBCOMWLY-OALUTQOASA-N 2 0 327.472 2.178 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000363367784 521654897 /nfs/dbraw/zinc/65/48/97/521654897.db2.gz KGPMUMZJPAMCCU-KRWDZBQOSA-N 2 0 330.476 2.207 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@H](C)C1 ZINC000415947829 527826131 /nfs/dbraw/zinc/82/61/31/527826131.db2.gz SXISSMQKJUAZRL-PBHICJAKSA-N 2 0 334.464 2.218 10 0 EEAERP CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993682 528124182 /nfs/dbraw/zinc/12/41/82/528124182.db2.gz FWYQMAYNGHCVOZ-UHFFFAOYSA-N 2 0 334.464 2.112 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422932317 536596119 /nfs/dbraw/zinc/59/61/19/536596119.db2.gz ZAEYXFXTBDOMID-GOSISDBHSA-N 2 0 333.476 2.156 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000731600451 577110378 /nfs/dbraw/zinc/11/03/78/577110378.db2.gz OEQXITQESBLZIX-GOSISDBHSA-N 2 0 330.476 2.251 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895188297 684259352 /nfs/dbraw/zinc/25/93/52/684259352.db2.gz QHGHPZYWHYWBQZ-TXEJJXNPSA-N 2 0 344.912 2.063 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)C1 ZINC000925659359 684779161 /nfs/dbraw/zinc/77/91/61/684779161.db2.gz CVIFTGDBZSTKDT-DLBZAZTESA-N 2 0 338.517 2.140 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C12CCC2 ZINC000925684658 684881798 /nfs/dbraw/zinc/88/17/98/684881798.db2.gz IRHYYXYTLXMNPI-MCIONIFRSA-N 2 0 325.250 2.342 10 0 EEAERP c1cc(N2CCC([NH2+][C@@H]3CCCN4CCSC[C@@H]34)CC2)cc[nH+]1 ZINC000896432461 684976006 /nfs/dbraw/zinc/97/60/06/684976006.db2.gz OXOPNEUQWDXCBN-MSOLQXFVSA-N 2 0 332.517 2.220 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001485587367 1191858229 /nfs/dbraw/zinc/85/82/29/1191858229.db2.gz UVNRPKNJCVGAHA-GOSISDBHSA-N 2 0 344.503 2.284 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001485743091 1191918669 /nfs/dbraw/zinc/91/86/69/1191918669.db2.gz BXSKESUFMJKMLL-MRXNPFEDSA-N 2 0 345.487 2.166 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)oc1C ZINC001485744737 1191919805 /nfs/dbraw/zinc/91/98/05/1191919805.db2.gz NDUUBXKSPIYETQ-XJKSGUPXSA-N 2 0 336.480 2.008 10 0 EEAERP CCCCC[N@H+](C)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001485757311 1191925525 /nfs/dbraw/zinc/92/55/25/1191925525.db2.gz GZVVEGKDSAKOBT-UHFFFAOYSA-N 2 0 349.523 2.171 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC001266332817 1176315784 /nfs/dbraw/zinc/31/57/84/1176315784.db2.gz AIAXQGKJCBGNAW-RTBURBONSA-N 2 0 329.488 2.294 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001266336260 1176322090 /nfs/dbraw/zinc/32/20/90/1176322090.db2.gz MFSFWJIGHWGSBM-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266686189 1177198252 /nfs/dbraw/zinc/19/82/52/1177198252.db2.gz TVZJFIMOHPTGLV-CALCHBBNSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(Cl)ccc1F)[NH+](C)C ZINC001266989187 1178045016 /nfs/dbraw/zinc/04/50/16/1178045016.db2.gz VGHRXPCLGDWOET-OAHLLOKOSA-N 2 0 329.847 2.367 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001267015631 1178093765 /nfs/dbraw/zinc/09/37/65/1178093765.db2.gz KAZYUALQMQGPQR-SFHVURJKSA-N 2 0 347.503 2.020 10 0 EEAERP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001267040526 1178136391 /nfs/dbraw/zinc/13/63/91/1178136391.db2.gz FAEZQDMLBOJUHD-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267177029 1178424580 /nfs/dbraw/zinc/42/45/80/1178424580.db2.gz FHMRRBGYLLYPFS-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2ccnc2C1)CCC1CC1 ZINC001267284894 1178681577 /nfs/dbraw/zinc/68/15/77/1178681577.db2.gz VYVSWUPLLIKYPK-KRWDZBQOSA-N 2 0 332.492 2.462 10 0 EEAERP C[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)CCC1CCCCC1 ZINC001480930766 1178689550 /nfs/dbraw/zinc/68/95/50/1178689550.db2.gz UINDPUJVNTUKOE-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C)c(C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C(C)C)o1 ZINC001267308347 1178731063 /nfs/dbraw/zinc/73/10/63/1178731063.db2.gz VAZAVUAWAORBPK-MRXNPFEDSA-N 2 0 336.480 2.102 10 0 EEAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267441823 1179017549 /nfs/dbraw/zinc/01/75/49/1179017549.db2.gz VRVWDPGUMVQCLC-UHFFFAOYSA-N 2 0 331.382 2.362 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456473 1179038860 /nfs/dbraw/zinc/03/88/60/1179038860.db2.gz YKGJLGFRONACJF-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001481107829 1179756755 /nfs/dbraw/zinc/75/67/55/1179756755.db2.gz JPPCQBWDPCEWRZ-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001481127603 1179842089 /nfs/dbraw/zinc/84/20/89/1179842089.db2.gz YPVOPQYLDKHVTN-HNNXBMFYSA-N 2 0 339.430 2.243 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001481154260 1179937821 /nfs/dbraw/zinc/93/78/21/1179937821.db2.gz QPKYORIJEUGALN-OAHLLOKOSA-N 2 0 338.883 2.015 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc(Cl)s2)C1 ZINC001481280859 1180776136 /nfs/dbraw/zinc/77/61/36/1180776136.db2.gz YXEIHDVKWQPKTL-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001481301160 1180955824 /nfs/dbraw/zinc/95/58/24/1180955824.db2.gz PUTKYTSREXWYQA-UHFFFAOYSA-N 2 0 347.478 2.496 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC001481302981 1180965496 /nfs/dbraw/zinc/96/54/96/1180965496.db2.gz IMLJLWLQUXNYKF-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP C[C@@H]([NH2+]Cc1ccon1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001481340959 1181072050 /nfs/dbraw/zinc/07/20/50/1181072050.db2.gz WAXGVCVBGZVNSB-OAHLLOKOSA-N 2 0 336.480 2.123 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001481343493 1181076903 /nfs/dbraw/zinc/07/69/03/1181076903.db2.gz ULOULCYUUNWFOH-AWEZNQCLSA-N 2 0 338.521 2.120 10 0 EEAERP CCN(CCNCc1ncc(C)s1)C(=O)C(C)(C)n1cnc(C)c1 ZINC001268458398 1182737214 /nfs/dbraw/zinc/73/72/14/1182737214.db2.gz MJRNMMGXFOXNFG-UHFFFAOYSA-N 2 0 349.504 2.330 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccc(C)cc1 ZINC001481876314 1182852080 /nfs/dbraw/zinc/85/20/80/1182852080.db2.gz UZFVOSVWMDDJHI-RBUKOAKNSA-N 2 0 331.504 2.364 10 0 EEAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479537 1182922765 /nfs/dbraw/zinc/92/27/65/1182922765.db2.gz LIQLDRXIQBFLRM-RUJXFNLJSA-N 2 0 329.488 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)C12CC[NH+](CC1)C2 ZINC001268492759 1182989656 /nfs/dbraw/zinc/98/96/56/1182989656.db2.gz NBWCEAXVMPCIQO-UHFFFAOYSA-N 2 0 341.455 2.467 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001268492788 1182990143 /nfs/dbraw/zinc/99/01/43/1182990143.db2.gz NWPXBBXRGQWJES-UHFFFAOYSA-N 2 0 335.879 2.374 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001482137969 1183454223 /nfs/dbraw/zinc/45/42/23/1183454223.db2.gz HOUHLFZGYHLZAD-HOCLYGCPSA-N 2 0 345.478 2.496 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001268617097 1183533805 /nfs/dbraw/zinc/53/38/05/1183533805.db2.gz MIGPJXWNEPCNAQ-PJHKVULZSA-N 2 0 333.451 2.415 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001268625775 1183549114 /nfs/dbraw/zinc/54/91/14/1183549114.db2.gz KYTWJOOJJDPAMA-IBUXWKBASA-N 2 0 339.842 2.193 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(C(C)(C)C)on1)[NH+](C)C ZINC001268915937 1183824670 /nfs/dbraw/zinc/82/46/70/1183824670.db2.gz SZCLOJZMKJASMO-HNNXBMFYSA-N 2 0 338.496 2.250 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001269177968 1184032541 /nfs/dbraw/zinc/03/25/41/1184032541.db2.gz VUXWQIPMBVWDEN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCOc3ccccc3)CC2)CC[N@@H+]1C ZINC001269416283 1184251830 /nfs/dbraw/zinc/25/18/30/1184251830.db2.gz RBBINTGXBHEEKR-SJLPKXTDSA-N 2 0 345.487 2.034 10 0 EEAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001269969611 1184754876 /nfs/dbraw/zinc/75/48/76/1184754876.db2.gz IVYZSTARLOINAG-SKNOTLCPSA-N 2 0 337.508 2.080 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270024696 1184793282 /nfs/dbraw/zinc/79/32/82/1184793282.db2.gz HRUZMOXCBPRZMG-XSLAGTTESA-N 2 0 337.508 2.057 10 0 EEAERP OCCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453207059 1185242830 /nfs/dbraw/zinc/24/28/30/1185242830.db2.gz HNQDLGLPZUXYKT-AQNXPRMDSA-N 2 0 332.488 2.418 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001270648952 1185263841 /nfs/dbraw/zinc/26/38/41/1185263841.db2.gz KRHGKMNSCMXYGA-APWZRJJASA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001691507996 1185348190 /nfs/dbraw/zinc/34/81/90/1185348190.db2.gz YMPCJORDKCLIJS-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCOC)CC1 ZINC001270925469 1185745402 /nfs/dbraw/zinc/74/54/02/1185745402.db2.gz FTEGKJPQLATLJH-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001482459210 1185913220 /nfs/dbraw/zinc/91/32/20/1185913220.db2.gz VOUBIFPOBFLUOC-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001271271133 1186115182 /nfs/dbraw/zinc/11/51/82/1186115182.db2.gz XEDLRXUGMHVCDI-MRXNPFEDSA-N 2 0 327.488 2.343 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001271566002 1186316598 /nfs/dbraw/zinc/31/65/98/1186316598.db2.gz LMZPFKXKKVBPNJ-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001271770233 1186472496 /nfs/dbraw/zinc/47/24/96/1186472496.db2.gz LOCBNUOKXFVLOE-ULQDDVLXSA-N 2 0 327.488 2.343 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001272045590 1187256968 /nfs/dbraw/zinc/25/69/68/1187256968.db2.gz WCACPOVIPWVWQE-KSZLIROESA-N 2 0 339.524 2.065 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001482682294 1187635127 /nfs/dbraw/zinc/63/51/27/1187635127.db2.gz NHDUCUXUGVUQCL-GOEBONIOSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861304 1187774790 /nfs/dbraw/zinc/77/47/90/1187774790.db2.gz UTQLKEDONGHXJI-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482870231 1187789855 /nfs/dbraw/zinc/78/98/55/1187789855.db2.gz AQDVACBLTRYQLT-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1F)C(=O)CC[NH+](C)C ZINC001482948012 1187886908 /nfs/dbraw/zinc/88/69/08/1187886908.db2.gz OVRIHADKCCIUPZ-CYBMUJFWSA-N 2 0 327.419 2.416 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)nsc1C)C(=O)C1CC[NH+](C)CC1 ZINC001482947990 1187887299 /nfs/dbraw/zinc/88/72/99/1187887299.db2.gz OQFYXEDZTLMMNT-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001483008718 1187991568 /nfs/dbraw/zinc/99/15/68/1187991568.db2.gz LKVWTWADUVWANJ-UIXCXIJASA-N 2 0 349.906 2.485 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001483046881 1188259270 /nfs/dbraw/zinc/25/92/70/1188259270.db2.gz IRFRIDWIMZCNPS-NMEQGOOXSA-N 2 0 348.318 2.317 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nc(C)c(C)s1 ZINC001691622871 1188322514 /nfs/dbraw/zinc/32/25/14/1188322514.db2.gz CBPQKNZIZQYQEA-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1CC1 ZINC001485834726 1193569889 /nfs/dbraw/zinc/56/98/89/1193569889.db2.gz RHOCDVWGRGUYFV-LQOIGFFLSA-N 2 0 348.318 2.474 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691626310 1188734542 /nfs/dbraw/zinc/73/45/42/1188734542.db2.gz ZNZIEHIGIYWPLT-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001272889016 1193592223 /nfs/dbraw/zinc/59/22/23/1193592223.db2.gz IUVIGSYXQDFVAH-MRXNPFEDSA-N 2 0 344.503 2.311 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483215260 1189206737 /nfs/dbraw/zinc/20/67/37/1189206737.db2.gz UTXMMHXNIXKJBZ-LRDDRELGSA-N 2 0 341.858 2.210 10 0 EEAERP CCc1nocc1C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001409446773 1189690379 /nfs/dbraw/zinc/69/03/79/1189690379.db2.gz IHCGIKINBXJODJ-UHFFFAOYSA-N 2 0 336.480 2.048 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409465319 1189756603 /nfs/dbraw/zinc/75/66/03/1189756603.db2.gz JZGRWGIHEHCZGC-QWHCGFSZSA-N 2 0 327.419 2.288 10 0 EEAERP C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)[N@H+](C)CC1CCCC1 ZINC001409563622 1190039842 /nfs/dbraw/zinc/03/98/42/1190039842.db2.gz GBCQTDVANWSSAL-HNNXBMFYSA-N 2 0 332.492 2.389 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCc2c1cccc2F ZINC001485945597 1193654668 /nfs/dbraw/zinc/65/46/68/1193654668.db2.gz XTMJCYPNNDTLCO-KSSFIOAISA-N 2 0 345.462 2.345 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccns1)[NH+]1CCCCCC1 ZINC001483272475 1190296290 /nfs/dbraw/zinc/29/62/90/1190296290.db2.gz YQRASMNBDLZXDB-LSDHHAIUSA-N 2 0 338.521 2.044 10 0 EEAERP CCc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001483297041 1190319259 /nfs/dbraw/zinc/31/92/59/1190319259.db2.gz VLPZWDOPBTXVQY-GUYCJALGSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@@H](O)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483371672 1190414560 /nfs/dbraw/zinc/41/45/60/1190414560.db2.gz ZJDJJEPIPHRVHR-FUHWJXTLSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406780 1190452973 /nfs/dbraw/zinc/45/29/73/1190452973.db2.gz GMEOYWWNRGYBNS-OAHLLOKOSA-N 2 0 333.451 2.166 10 0 EEAERP C[C@@H](C[N@H+](C)CC[C@@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407557 1190453963 /nfs/dbraw/zinc/45/39/63/1190453963.db2.gz MNCSVNWXNPCFFM-QWHCGFSZSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1cncn1C ZINC001483415190 1190462853 /nfs/dbraw/zinc/46/28/53/1190462853.db2.gz MTNRZIUDAORMKO-KXBFYZLASA-N 2 0 340.471 2.477 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001483583417 1190570140 /nfs/dbraw/zinc/57/01/40/1190570140.db2.gz PEWNANQQLIHSCY-VDZJLULYSA-N 2 0 344.503 2.105 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483599773 1190580071 /nfs/dbraw/zinc/58/00/71/1190580071.db2.gz XACYMYCCKOHXSY-DNVCBOLYSA-N 2 0 347.478 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC001486130735 1193689774 /nfs/dbraw/zinc/68/97/74/1193689774.db2.gz SJXXKEUNYWGZFY-CRAIPNDOSA-N 2 0 349.523 2.193 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCOc1ccccc1 ZINC001483637490 1190699948 /nfs/dbraw/zinc/69/99/48/1190699948.db2.gz XSBUEMPFFKZUSI-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001483761266 1190989096 /nfs/dbraw/zinc/98/90/96/1190989096.db2.gz QPCGHPCOQZSCAY-NVXWUHKLSA-N 2 0 337.508 2.057 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001483845824 1191081149 /nfs/dbraw/zinc/08/11/49/1191081149.db2.gz BQEYOKDSAJMWBS-MPNRVQBSSA-N 2 0 327.900 2.395 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001483926196 1191118969 /nfs/dbraw/zinc/11/89/69/1191118969.db2.gz XPBSLZMPJSHTHF-OALUTQOASA-N 2 0 347.478 2.433 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCc2cccs2)C1 ZINC001484084003 1191205631 /nfs/dbraw/zinc/20/56/31/1191205631.db2.gz UHELHEFQRYNBMJ-FUHWJXTLSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484093353 1191207456 /nfs/dbraw/zinc/20/74/56/1191207456.db2.gz GXLONXMZLIZEIK-AZUAARDMSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001484152373 1191238820 /nfs/dbraw/zinc/23/88/20/1191238820.db2.gz LKOGSDXDRXYPIR-AZUAARDMSA-N 2 0 344.503 2.203 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[N@@H+](CC2CC2)CCC1(F)F ZINC001484196865 1191268912 /nfs/dbraw/zinc/26/89/12/1191268912.db2.gz AGPJAKXWXQESTH-INIZCTEOSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484533546 1191401576 /nfs/dbraw/zinc/40/15/76/1191401576.db2.gz UMALTWASRQWWDB-PKOBYXMFSA-N 2 0 329.488 2.417 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2csc(Cl)n2)C1 ZINC001484535713 1191403822 /nfs/dbraw/zinc/40/38/22/1191403822.db2.gz JLHUOWJVOQTISP-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484536604 1191403975 /nfs/dbraw/zinc/40/39/75/1191403975.db2.gz ACTVAUCHNMKENO-MAUKXSAKSA-N 2 0 345.478 2.387 10 0 EEAERP CCOCC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001484556450 1191417969 /nfs/dbraw/zinc/41/79/69/1191417969.db2.gz XEOFZLQJGVBCFR-UHFFFAOYSA-N 2 0 347.503 2.113 10 0 EEAERP CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCc3ccccc3)C2)CC1 ZINC001484581792 1191426029 /nfs/dbraw/zinc/42/60/29/1191426029.db2.gz BILZLISIDBTXJZ-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC001484726690 1191486143 /nfs/dbraw/zinc/48/61/43/1191486143.db2.gz OSEGEIXAGHDERY-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001484772122 1191514609 /nfs/dbraw/zinc/51/46/09/1191514609.db2.gz LXQLIFFPIKBWGB-SJORKVTESA-N 2 0 348.491 2.082 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCC3=CCCCC3)C2)O1 ZINC001484786409 1191520836 /nfs/dbraw/zinc/52/08/36/1191520836.db2.gz JTSDXYHWEMQJQX-SFHVURJKSA-N 2 0 349.519 2.178 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(F)c1Cl ZINC001484900037 1191565176 /nfs/dbraw/zinc/56/51/76/1191565176.db2.gz NBLFUPXROVZJDZ-DOMZBBRYSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485179789 1191678917 /nfs/dbraw/zinc/67/89/17/1191678917.db2.gz JLWQCRWBDBWVOW-ZIAGYGMSSA-N 2 0 336.455 2.078 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1nccs1 ZINC001485227695 1191697986 /nfs/dbraw/zinc/69/79/86/1191697986.db2.gz WXULVFXUGKHUMA-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001485229812 1191698769 /nfs/dbraw/zinc/69/87/69/1191698769.db2.gz MGQXAOKBPLQYOQ-QWHCGFSZSA-N 2 0 326.872 2.058 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001485261680 1191709417 /nfs/dbraw/zinc/70/94/17/1191709417.db2.gz FRKLBANJPPUTOK-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC1CC(F)(F)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001485263367 1191710099 /nfs/dbraw/zinc/71/00/99/1191710099.db2.gz BCMIHDHHWUJTDG-UHFFFAOYSA-N 2 0 343.462 2.202 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)CCO1 ZINC001485455026 1191791703 /nfs/dbraw/zinc/79/17/03/1191791703.db2.gz QBMGIBKZVCLEKS-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](O)C[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001485458441 1191797236 /nfs/dbraw/zinc/79/72/36/1191797236.db2.gz LPBGOHLXEORFGX-QGZVFWFLSA-N 2 0 339.524 2.042 10 0 EEAERP CCCC[NH+]1CCC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001486449456 1193963940 /nfs/dbraw/zinc/96/39/40/1193963940.db2.gz DXBIPQWPGLEVJH-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001486475220 1193988945 /nfs/dbraw/zinc/98/89/45/1193988945.db2.gz DVBSFBWHKLWSIL-UHFFFAOYSA-N 2 0 338.521 2.181 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCOc2cccc(C)c2)C1)[NH+](C)C ZINC001486476741 1193989872 /nfs/dbraw/zinc/98/98/72/1193989872.db2.gz LMNOKEMVHXAIDD-TVPLGVNVSA-N 2 0 347.503 2.293 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001273052452 1194356235 /nfs/dbraw/zinc/35/62/35/1194356235.db2.gz LDTTZIJMGUOGLQ-HOCLYGCPSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@]12CN(C(=O)C3(C[NH3+])CCCC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702056012 1195712358 /nfs/dbraw/zinc/71/23/58/1195712358.db2.gz QRHNXEHPVCHABF-AZUAARDMSA-N 2 0 341.499 2.486 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CCc2cccs2)CC1(C)C)[NH+](C)C ZINC001410028220 1197461742 /nfs/dbraw/zinc/46/17/42/1197461742.db2.gz VLYNCVNTNZTHLA-CVEARBPZSA-N 2 0 337.533 2.457 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001691689008 1197505152 /nfs/dbraw/zinc/50/51/52/1197505152.db2.gz PSSJZUVXEFBHFY-SQNIBIBYSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001410221444 1197613912 /nfs/dbraw/zinc/61/39/12/1197613912.db2.gz SDAZKZPUIJXRFB-YHUYYLMFSA-N 2 0 345.478 2.492 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001410436549 1197889345 /nfs/dbraw/zinc/88/93/45/1197889345.db2.gz NSWLPXBPZFPMAK-SUMWQHHRSA-N 2 0 338.496 2.068 10 0 EEAERP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCOC1 ZINC000872022176 1198028561 /nfs/dbraw/zinc/02/85/61/1198028561.db2.gz HISZKXXNPXTQFB-ROUUACIJSA-N 2 0 332.492 2.128 10 0 EEAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000872152097 1198058551 /nfs/dbraw/zinc/05/85/51/1198058551.db2.gz MDQGBFVVLWVWMV-ILZDJORESA-N 2 0 327.472 2.112 10 0 EEAERP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)CCCCCC[NH3+] ZINC000872155029 1198061196 /nfs/dbraw/zinc/06/11/96/1198061196.db2.gz KQTQCOFHDDSTTF-CYBMUJFWSA-N 2 0 338.427 2.313 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)CCCCCC[NH3+] ZINC000872154883 1198063149 /nfs/dbraw/zinc/06/31/49/1198063149.db2.gz DFFGTOUMLLPJGE-CQSZACIVSA-N 2 0 335.448 2.236 10 0 EEAERP CC(=O)NCC1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000865472380 1198234775 /nfs/dbraw/zinc/23/47/75/1198234775.db2.gz ZVQRODXTSJRVIG-CCZBSFLLSA-N 2 0 339.524 2.160 10 0 EEAERP CC(=O)N1CCC([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000865773670 1198370455 /nfs/dbraw/zinc/37/04/55/1198370455.db2.gz GVOGSCNYONADSE-UHFFFAOYSA-N 2 0 329.488 2.251 10 0 EEAERP COc1cccc2c1ccnc2N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866011051 1198453646 /nfs/dbraw/zinc/45/36/46/1198453646.db2.gz UNPJREPYQXRYPJ-HZPDHXFCSA-N 2 0 342.487 2.419 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nc(C(F)(F)F)cs2)C[C@H]1C[NH+](C)C ZINC000866011191 1198453706 /nfs/dbraw/zinc/45/37/06/1198453706.db2.gz VSXDNSOTEJYJSH-GHMZBOCLSA-N 2 0 336.427 2.338 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nc3ccccc3o2)[C@H]1C ZINC001410850863 1198501691 /nfs/dbraw/zinc/50/16/91/1198501691.db2.gz JLJRZKZQIXIEIV-CABCVRRESA-N 2 0 344.459 2.247 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)nsc2C)C[C@@H]1C ZINC001410857167 1198508495 /nfs/dbraw/zinc/50/84/95/1198508495.db2.gz DEAKEQHNVGDUBY-WFASDCNBSA-N 2 0 338.521 2.181 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CC[C@@H]1CCCO1)CC2)C1CCC1 ZINC001410886010 1198537345 /nfs/dbraw/zinc/53/73/45/1198537345.db2.gz CHRLZNAHWUNFRK-NSHGMRRFSA-N 2 0 349.519 2.153 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC001410912522 1198566956 /nfs/dbraw/zinc/56/69/56/1198566956.db2.gz TVCYVPLBRVYBHV-HKUYNNGSSA-N 2 0 346.475 2.117 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001410946858 1198612623 /nfs/dbraw/zinc/61/26/23/1198612623.db2.gz BZWHNUDQIIEBRP-WMZOPIPTSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001411221593 1198932032 /nfs/dbraw/zinc/93/20/32/1198932032.db2.gz WWYOOZJAYFSXNS-QGZVFWFLSA-N 2 0 329.488 2.403 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC001411257714 1198988582 /nfs/dbraw/zinc/98/85/82/1198988582.db2.gz SGEJUUOKGHVKOM-UHFFFAOYSA-N 2 0 342.487 2.038 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280627262 1199025306 /nfs/dbraw/zinc/02/53/06/1199025306.db2.gz DQEVIQUHACZMKL-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CC1(C)C ZINC000875674142 1199341138 /nfs/dbraw/zinc/34/11/38/1199341138.db2.gz DUSLIQRDUCJHNY-WCXIOVBPSA-N 2 0 338.540 2.192 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000870018986 1200410702 /nfs/dbraw/zinc/41/07/02/1200410702.db2.gz LODKASRBOUATDS-RRFJBIMHSA-N 2 0 331.451 2.010 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000870021644 1200412009 /nfs/dbraw/zinc/41/20/09/1200412009.db2.gz SCVDYILYNJCUEF-OSFIAYCASA-N 2 0 347.478 2.427 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870872703 1200923252 /nfs/dbraw/zinc/92/32/52/1200923252.db2.gz HCDGBECSACEAFN-BPOAAREJSA-N 2 0 327.472 2.470 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000813072409 1201098919 /nfs/dbraw/zinc/09/89/19/1201098919.db2.gz GQKVDLYJIGMCKM-HDMKZQKVSA-N 2 0 325.472 2.142 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@@H](C)C1 ZINC000866575131 1201551269 /nfs/dbraw/zinc/55/12/69/1201551269.db2.gz IOEXVIJAOOYRKW-YJBOKZPZSA-N 2 0 330.476 2.032 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000882392606 1201864510 /nfs/dbraw/zinc/86/45/10/1201864510.db2.gz OBJSOABBKRIYNQ-ZWKOTPCHSA-N 2 0 328.460 2.004 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1C ZINC001274037718 1204340671 /nfs/dbraw/zinc/34/06/71/1204340671.db2.gz SLHCIFGDHRRWHP-UOYPKJBKSA-N 2 0 337.414 2.067 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001274255131 1204976451 /nfs/dbraw/zinc/97/64/51/1204976451.db2.gz YMOAEYWXEKNYTF-SNAWJCMRSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001274251469 1204977254 /nfs/dbraw/zinc/97/72/54/1204977254.db2.gz OZHGAFXKVABRKS-HKUYNNGSSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)C1 ZINC001274299387 1204988787 /nfs/dbraw/zinc/98/87/87/1204988787.db2.gz WMHBVQRWPCSYPE-NQHOJNORSA-N 2 0 335.414 2.323 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001274368344 1205012059 /nfs/dbraw/zinc/01/20/59/1205012059.db2.gz LGZUTJHQDWDQDA-OBMMGQTPSA-N 2 0 333.451 2.491 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCOC(C)C)CC1(C)C)[NH+](C)C ZINC001274436896 1205035251 /nfs/dbraw/zinc/03/52/51/1205035251.db2.gz QYUQUWMODUEQRK-SJORKVTESA-N 2 0 341.540 2.358 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccnc1C ZINC001274608688 1205095772 /nfs/dbraw/zinc/09/57/72/1205095772.db2.gz HCIVVVDROUDSCV-XFHJGTJQSA-N 2 0 330.476 2.026 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275571152 1205420688 /nfs/dbraw/zinc/42/06/88/1205420688.db2.gz NWGDWLAFBUIJFT-STQMWFEESA-N 2 0 326.872 2.058 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001276231755 1205845817 /nfs/dbraw/zinc/84/58/17/1205845817.db2.gz BUXOESKGWPPLNP-NSHDSACASA-N 2 0 332.901 2.075 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000924654219 1206012126 /nfs/dbraw/zinc/01/21/26/1206012126.db2.gz GXDBQPXLXBOCCV-GOSISDBHSA-N 2 0 345.491 2.308 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924658057 1206012737 /nfs/dbraw/zinc/01/27/37/1206012737.db2.gz JPGKROWSPQKPRR-AZUAARDMSA-N 2 0 330.520 2.410 10 0 EEAERP CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000925046038 1206064859 /nfs/dbraw/zinc/06/48/59/1206064859.db2.gz NNMVFJJAFMIBPK-QPIRBTGLSA-N 2 0 346.519 2.439 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C12CCC2 ZINC000925566853 1206128968 /nfs/dbraw/zinc/12/89/68/1206128968.db2.gz GZRPOEMKXKGEKF-YUELXQCFSA-N 2 0 344.377 2.305 10 0 EEAERP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925571293 1206130040 /nfs/dbraw/zinc/13/00/40/1206130040.db2.gz ZCZHNMKDDIUVRE-HOJAQTOUSA-N 2 0 332.488 2.493 10 0 EEAERP COc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)[NH+](C)C)cc1OC ZINC000925623798 1206137078 /nfs/dbraw/zinc/13/70/78/1206137078.db2.gz XBAQQYAUVHKEFR-JCGIZDLHSA-N 2 0 333.476 2.166 10 0 EEAERP C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cccc(N2CCOCC2)c1 ZINC000925780029 1206153522 /nfs/dbraw/zinc/15/35/22/1206153522.db2.gz QOJKIFXBZJFWTH-GDBMZVCRSA-N 2 0 339.430 2.419 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC(F)(F)CC1 ZINC000925849440 1206160613 /nfs/dbraw/zinc/16/06/13/1206160613.db2.gz JFEDWABXRCXECG-GXTWGEPZSA-N 2 0 330.419 2.475 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925912025 1206167472 /nfs/dbraw/zinc/16/74/72/1206167472.db2.gz VFACTQBXDIVDJN-SFHVURJKSA-N 2 0 347.507 2.202 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926157577 1206199690 /nfs/dbraw/zinc/19/96/90/1206199690.db2.gz YNIFSBCZMLKIIJ-DLBZAZTESA-N 2 0 348.516 2.497 10 0 EEAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccnn1CC1CCC1 ZINC000926358364 1206215447 /nfs/dbraw/zinc/21/54/47/1206215447.db2.gz XVWGAUKGFTVRSX-INIZCTEOSA-N 2 0 333.524 2.360 10 0 EEAERP CN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000927289771 1206250810 /nfs/dbraw/zinc/25/08/10/1206250810.db2.gz VITZUTZWRGUGMF-URSIVYNOSA-N 2 0 334.508 2.272 10 0 EEAERP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000928435385 1206382828 /nfs/dbraw/zinc/38/28/28/1206382828.db2.gz LZJLCVPCJHPDFK-NZSAHSFTSA-N 2 0 329.488 2.150 10 0 EEAERP COC1(OC)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000931639686 1207430495 /nfs/dbraw/zinc/43/04/95/1207430495.db2.gz ZTIJKXACNTZRBS-LJQANCHMSA-N 2 0 348.487 2.228 10 0 EEAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cn(C)cn1 ZINC000717920509 1211579435 /nfs/dbraw/zinc/57/94/35/1211579435.db2.gz RIDAFQAGAWGRMK-KRWDZBQOSA-N 2 0 342.487 2.488 10 0 EEAERP CN1C[C@@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1=O ZINC000723534420 1230590659 /nfs/dbraw/zinc/59/06/59/1230590659.db2.gz ACBOHKJEVDQAOQ-MUGJNUQGSA-N 2 0 341.499 2.498 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901128483 1235257788 /nfs/dbraw/zinc/25/77/88/1235257788.db2.gz XQGUOCCYWGKDIZ-MJGOQNOKSA-N 2 0 345.487 2.299 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc3ccc(C)cc3c1)C2 ZINC000903494504 1240664552 /nfs/dbraw/zinc/66/45/52/1240664552.db2.gz HGTPKSSSHUGOMV-QKLQHJQFSA-N 2 0 339.439 2.256 10 0 EEAERP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1CC[NH3+] ZINC000903496817 1240675182 /nfs/dbraw/zinc/67/51/82/1240675182.db2.gz FUHDFVXRKFCNFH-IUODEOHRSA-N 2 0 344.484 2.326 10 0 EEAERP C([C@H]1CCC2(CCCC2)O1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505804 1240712476 /nfs/dbraw/zinc/71/24/76/1240712476.db2.gz HRNGDXQDGJKXPT-CEXWTWQISA-N 2 0 333.520 2.379 10 0 EEAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779220 1241921731 /nfs/dbraw/zinc/92/17/31/1241921731.db2.gz WOFOCOHZDMNXIY-QFBILLFUSA-N 2 0 346.475 2.285 10 0 EEAERP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898862 1242394636 /nfs/dbraw/zinc/39/46/36/1242394636.db2.gz OSSNXUZLGRSWFZ-KBAYOESNSA-N 2 0 336.524 2.371 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])CNc2ccc(C)cc2C[NH+](C)C)cnn1C ZINC000903918811 1242485481 /nfs/dbraw/zinc/48/54/81/1242485481.db2.gz IQQKPFVLTOXTJR-INIZCTEOSA-N 2 0 329.492 2.328 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCCOc2ccccc2C)cnn1C ZINC000903923372 1242515495 /nfs/dbraw/zinc/51/54/95/1242515495.db2.gz SBBSMQATSOAZLJ-KRWDZBQOSA-N 2 0 330.476 2.213 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H]([NH3+])CC(F)F)cc1 ZINC000903934046 1242560263 /nfs/dbraw/zinc/56/02/63/1242560263.db2.gz ZMJSJQYPICZWAL-KBMXLJTQSA-N 2 0 327.419 2.103 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cnn1C ZINC000903947612 1242660225 /nfs/dbraw/zinc/66/02/25/1242660225.db2.gz CCNQNHFHOMZERR-MJGOQNOKSA-N 2 0 348.535 2.375 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](CCC4CC4)CC[C@H]32)CC1 ZINC001490983698 1258537810 /nfs/dbraw/zinc/53/78/10/1258537810.db2.gz OXZNARVQTYUBAD-QZTJIDSGSA-N 2 0 333.520 2.441 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](C/C=C\Cl)CC[C@@H]21 ZINC001490984914 1258541908 /nfs/dbraw/zinc/54/19/08/1258541908.db2.gz VGGFAPYVJVMNMY-FYUFSVPTSA-N 2 0 327.900 2.394 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491119623 1258700934 /nfs/dbraw/zinc/70/09/34/1258700934.db2.gz HGYDLDBDVLHOPT-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491116444 1258710249 /nfs/dbraw/zinc/71/02/49/1258710249.db2.gz LGEHVCOZYUINFQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491280568 1258886621 /nfs/dbraw/zinc/88/66/21/1258886621.db2.gz HFPYMQXSQKCBJY-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491338138 1258966095 /nfs/dbraw/zinc/96/60/95/1258966095.db2.gz MEXHRKBYXYURRL-QXDIGNSFSA-N 2 0 339.499 2.291 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001491347368 1258980541 /nfs/dbraw/zinc/98/05/41/1258980541.db2.gz OXXQJNBOSMYJEI-FAFZWHIHSA-N 2 0 345.487 2.177 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491478794 1259129617 /nfs/dbraw/zinc/12/96/17/1259129617.db2.gz SUMUDACESVYQJF-QAPCUYQASA-N 2 0 330.476 2.083 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCOCC2CCC2)CC1 ZINC001273474237 1278571865 /nfs/dbraw/zinc/57/18/65/1278571865.db2.gz FWEROFLUZIWADW-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[NH+]1CCCCC1 ZINC000850760248 1277331620 /nfs/dbraw/zinc/33/16/20/1277331620.db2.gz XGBRRFVUTMNOLJ-MAUKXSAKSA-N 2 0 346.475 2.343 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cnn(C(C)(C)C)c1 ZINC001490214918 1291004884 /nfs/dbraw/zinc/00/48/84/1291004884.db2.gz XKSXUVQJHMXONT-QGZVFWFLSA-N 2 0 349.523 2.061 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC001490680223 1291563039 /nfs/dbraw/zinc/56/30/39/1291563039.db2.gz UKMXUGJUIBTNER-RTBURBONSA-N 2 0 329.488 2.464 10 0 EEAERP O=C(NC[C@H]([NH2+]CCc1cccs1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001490663905 1291585746 /nfs/dbraw/zinc/58/57/46/1291585746.db2.gz ABAXJYQTNBROOS-MSOLQXFVSA-N 2 0 347.528 2.117 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710820 1291597301 /nfs/dbraw/zinc/59/73/01/1291597301.db2.gz VCCIHAUGHHKQPG-RHSMWYFYSA-N 2 0 331.451 2.043 10 0 EEAERP CC(C)n1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001490770647 1291711172 /nfs/dbraw/zinc/71/11/72/1291711172.db2.gz DPJWIYNDRNQYRF-QGZVFWFLSA-N 2 0 349.523 2.086 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C[C@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760632 1292189469 /nfs/dbraw/zinc/18/94/69/1292189469.db2.gz JVYVCYGCTIHJIQ-MSOLQXFVSA-N 2 0 347.459 2.054 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852859162 1292217502 /nfs/dbraw/zinc/21/75/02/1292217502.db2.gz QUDSKAZNXSNBKS-UHFFFAOYSA-N 2 0 345.487 2.333 10 0 EEAERP O=C(C=C1CC[NH2+]CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000852857789 1292218565 /nfs/dbraw/zinc/21/85/65/1292218565.db2.gz GANDPOFTDQNEMV-UHFFFAOYSA-N 2 0 327.472 2.120 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)C3CC3)C2)ccn1 ZINC000856606069 1293579036 /nfs/dbraw/zinc/57/90/36/1293579036.db2.gz GXIPLAGOMGXNDR-OALUTQOASA-N 2 0 333.476 2.146 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)CC[NH2+]CC1 ZINC000857253580 1293772946 /nfs/dbraw/zinc/77/29/46/1293772946.db2.gz OURNMHHATZLMHM-RYUDHWBXSA-N 2 0 337.291 2.481 10 0 EEAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544533 1296327465 /nfs/dbraw/zinc/32/74/65/1296327465.db2.gz WWFZKZRLHMBQKM-RIFZZMRRSA-N 2 0 342.439 2.484 10 0 EEAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000931380824 1297167174 /nfs/dbraw/zinc/16/71/74/1297167174.db2.gz RSZIAJSLUSRUAE-ROUUACIJSA-N 2 0 340.508 2.256 10 0 EEAERP CC(C)(C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001491162981 1299643000 /nfs/dbraw/zinc/64/30/00/1299643000.db2.gz CPQCIKWTSUQPOO-PMGBHYCQSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)n1 ZINC001277335684 1302480157 /nfs/dbraw/zinc/48/01/57/1302480157.db2.gz UNVGRTHQRZVZJL-OAHLLOKOSA-N 2 0 344.503 2.169 10 0 EEAERP Cc1cccc([C@@H](C)[N@H+](C)CCOCCNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001277476518 1303575429 /nfs/dbraw/zinc/57/54/29/1303575429.db2.gz XTIZNUAKCMZZAH-MJGOQNOKSA-N 2 0 347.503 2.215 10 0 EEAERP CCc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001278017015 1305696410 /nfs/dbraw/zinc/69/64/10/1305696410.db2.gz GVWWLHAGBKEYIE-FUHWJXTLSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001278313978 1309330401 /nfs/dbraw/zinc/33/04/01/1309330401.db2.gz AGGQLNPGSFMVIS-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278427506 1310223339 /nfs/dbraw/zinc/22/33/39/1310223339.db2.gz VMFWMBWSGXIBJP-LJQANCHMSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001278711521 1317824056 /nfs/dbraw/zinc/82/40/56/1317824056.db2.gz SRWSYIJSIZZHJL-QGZVFWFLSA-N 2 0 339.524 2.306 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001265007410 1322854176 /nfs/dbraw/zinc/85/41/76/1322854176.db2.gz PWDSEPXRSKBYLT-UHFFFAOYSA-N 2 0 345.487 2.262 10 0 EEAERP CC[N@H+](CCCNC(=O)Cc1[nH]cnc1C)Cc1c(C)nsc1C ZINC001265143914 1322945999 /nfs/dbraw/zinc/94/59/99/1322945999.db2.gz VFUQNWFKRRPNLR-UHFFFAOYSA-N 2 0 349.504 2.362 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265406500 1323134729 /nfs/dbraw/zinc/13/47/29/1323134729.db2.gz ADQRJHHWNRWUBV-IGBSGPOWSA-N 2 0 331.504 2.360 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001265609684 1323263748 /nfs/dbraw/zinc/26/37/48/1323263748.db2.gz VGSLBQYIMZEEDN-SOLBZPMBSA-N 2 0 349.544 2.459 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001265670903 1323310624 /nfs/dbraw/zinc/31/06/24/1323310624.db2.gz XGYCZTZGWGMSEQ-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702658 1323336701 /nfs/dbraw/zinc/33/67/01/1323336701.db2.gz GKGKQYCDOAKOOI-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001265997467 1323554210 /nfs/dbraw/zinc/55/42/10/1323554210.db2.gz GBWQVFZZEPIVOW-MRXNPFEDSA-N 2 0 339.443 2.119 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037154 1323587517 /nfs/dbraw/zinc/58/75/17/1323587517.db2.gz LDVPWTAAUSRSPT-IBGZPJMESA-N 2 0 343.515 2.462 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CCc2ccccc2F)CC1 ZINC001279675719 1323976607 /nfs/dbraw/zinc/97/66/07/1323976607.db2.gz KXMFOXXYCSHTQB-UHFFFAOYSA-N 2 0 347.478 2.458 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001280073772 1324076203 /nfs/dbraw/zinc/07/62/03/1324076203.db2.gz QKISYPOPQCFQNZ-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c(C)o1 ZINC001280074790 1324076656 /nfs/dbraw/zinc/07/66/56/1324076656.db2.gz VPELEHUVZYNYNN-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001281724959 1325418104 /nfs/dbraw/zinc/41/81/04/1325418104.db2.gz NCIHCGXRKBERLI-BBRMVZONSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1ncsc1C[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001283184602 1325947869 /nfs/dbraw/zinc/94/78/69/1325947869.db2.gz FDJHGBVPNXPOPD-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ccccc1C[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001283409371 1326054812 /nfs/dbraw/zinc/05/48/12/1326054812.db2.gz WYUPRRJKAHRLGB-IBGZPJMESA-N 2 0 347.503 2.044 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284034766 1326373198 /nfs/dbraw/zinc/37/31/98/1326373198.db2.gz VOWSZLZOGDFZHL-MAUKXSAKSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOCc2ccccc2)C[C@@H]1C ZINC001284035104 1326373743 /nfs/dbraw/zinc/37/37/43/1326373743.db2.gz ZJNFMFDUMNRZIM-PKOBYXMFSA-N 2 0 347.503 2.122 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001284150380 1326436208 /nfs/dbraw/zinc/43/62/08/1326436208.db2.gz BWQZCHPANIGATG-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001284762373 1326700858 /nfs/dbraw/zinc/70/08/58/1326700858.db2.gz SEFWBSRYIYIMRQ-ABHNRTSZSA-N 2 0 339.524 2.253 10 0 EEAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001284795559 1326718872 /nfs/dbraw/zinc/71/88/72/1326718872.db2.gz YNNAKHBUAFLPHJ-ABHNRTSZSA-N 2 0 339.524 2.253 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCc1ccccc1Cl ZINC001491581086 1330172572 /nfs/dbraw/zinc/17/25/72/1330172572.db2.gz ZKNXHTZHOCQFTQ-GJZGRUSLSA-N 2 0 337.895 2.319 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC001491849578 1330273495 /nfs/dbraw/zinc/27/34/95/1330273495.db2.gz IFUVUTHTCSGQOS-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001491808062 1330277594 /nfs/dbraw/zinc/27/75/94/1330277594.db2.gz HBNQRRQDPTUTOM-ZBFHGGJFSA-N 2 0 341.496 2.366 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001491885146 1330289054 /nfs/dbraw/zinc/28/90/54/1330289054.db2.gz GPQWFYHFWLXEPC-RBUKOAKNSA-N 2 0 347.503 2.068 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C/C=C\Cl)C2)CC[N@@H+]1C ZINC001491945045 1330336920 /nfs/dbraw/zinc/33/69/20/1330336920.db2.gz YMBFJLMINRPLSE-QDAKYZJLSA-N 2 0 327.900 2.392 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001492044680 1330418365 /nfs/dbraw/zinc/41/83/65/1330418365.db2.gz WHAYHLRDKASSPP-DGCLKSJQSA-N 2 0 344.912 2.265 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC001492031663 1330456855 /nfs/dbraw/zinc/45/68/55/1330456855.db2.gz QXZDFQQDHMMMHS-CXAGYDPISA-N 2 0 336.480 2.150 10 0 EEAERP C[N@H+](CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccccn1)C1CCC1 ZINC001492158083 1331021552 /nfs/dbraw/zinc/02/15/52/1331021552.db2.gz OODMTSCSRZMVAF-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001492175847 1331053781 /nfs/dbraw/zinc/05/37/81/1331053781.db2.gz MILYTRZSIZONPV-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001316812153 1331908549 /nfs/dbraw/zinc/90/85/49/1331908549.db2.gz RSMAKTQSTAKBTK-KRWDZBQOSA-N 2 0 341.540 2.360 10 0 EEAERP 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327.472 2.136 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001330843402 1334913742 /nfs/dbraw/zinc/91/37/42/1334913742.db2.gz RBNHHUKNBGNJRU-BBRMVZONSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001330843404 1334913873 /nfs/dbraw/zinc/91/38/73/1334913873.db2.gz RBNHHUKNBGNJRU-CZUORRHYSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccncc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330883677 1334920544 /nfs/dbraw/zinc/92/05/44/1334920544.db2.gz QPQIYBXSVHLISS-XJKSGUPXSA-N 2 0 338.883 2.204 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332421138 1335821245 /nfs/dbraw/zinc/82/12/45/1335821245.db2.gz AGDWJIQEAQSIJN-SFHVURJKSA-N 2 0 349.494 2.347 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001332901420 1335927791 /nfs/dbraw/zinc/92/77/91/1335927791.db2.gz YYECPDXLEQBVDZ-LBPRGKRZSA-N 2 0 325.419 2.400 10 0 EEAERP 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1342184080 /nfs/dbraw/zinc/18/40/80/1342184080.db2.gz BBORYUSAPQUVEZ-VQIMIIECSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCOCC2)c1 ZINC001502635772 1342219054 /nfs/dbraw/zinc/21/90/54/1342219054.db2.gz YDFARQAIRHJHRJ-KRWDZBQOSA-N 2 0 347.503 2.263 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001673343237 1356670571 /nfs/dbraw/zinc/67/05/71/1356670571.db2.gz VXPPYAVPWNEJIR-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001566677524 1342599217 /nfs/dbraw/zinc/59/92/17/1342599217.db2.gz PXUYLSUVKDNJFC-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001566740214 1342619787 /nfs/dbraw/zinc/61/97/87/1342619787.db2.gz SERXUUHNDREUTL-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001566879331 1342647042 /nfs/dbraw/zinc/64/70/42/1342647042.db2.gz JVXVEIFVBQVREY-IAGOWNOFSA-N 2 0 347.507 2.098 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001566893789 1342647684 /nfs/dbraw/zinc/64/76/84/1342647684.db2.gz OXDLFZUFMZFOHG-HZSPNIEDSA-N 2 0 348.318 2.474 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC1CCC([NH2+]Cc2ccon2)CC1 ZINC001566992058 1342674817 /nfs/dbraw/zinc/67/48/17/1342674817.db2.gz NLIOSMIQRFLKPK-UHFFFAOYSA-N 2 0 348.491 2.458 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@H+]2CC[C@H](C)C2)no1 ZINC001567259784 1342725062 /nfs/dbraw/zinc/72/50/62/1342725062.db2.gz ITSQXRLOSYKYJH-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)n1 ZINC001675965905 1357078679 /nfs/dbraw/zinc/07/86/79/1357078679.db2.gz FVAJMQHFGTVMSV-HNNXBMFYSA-N 2 0 346.519 2.415 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)CC[N@H+](C)C2CCCCC2)o1 ZINC001567538863 1342782374 /nfs/dbraw/zinc/78/23/74/1342782374.db2.gz ZGWJLPNKQYFVDK-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCC[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001569547047 1342894972 /nfs/dbraw/zinc/89/49/72/1342894972.db2.gz CVUGKSYJRUOIAG-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001570142604 1343015807 /nfs/dbraw/zinc/01/58/07/1343015807.db2.gz QJNZGWVMNOMSTH-OALUTQOASA-N 2 0 349.519 2.177 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001676873703 1357227703 /nfs/dbraw/zinc/22/77/03/1357227703.db2.gz QPTMPCFWGMQJQZ-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001676874338 1357228129 /nfs/dbraw/zinc/22/81/29/1357228129.db2.gz XUNJIKYZZZXQIV-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCCCF ZINC001677033356 1357266520 /nfs/dbraw/zinc/26/65/20/1357266520.db2.gz XUSHQTONWMQPIT-OAHLLOKOSA-N 2 0 325.472 2.049 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H](C[NH2+]CCCO)C(C)(C)C ZINC001677263662 1357304439 /nfs/dbraw/zinc/30/44/39/1357304439.db2.gz WMCZCTDIGFENDR-MRXNPFEDSA-N 2 0 341.540 2.142 10 0 EEAERP CN(CCOCC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001677496727 1357340690 /nfs/dbraw/zinc/34/06/90/1357340690.db2.gz BMEHYLYCPMONIJ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP c1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CC5(C[NH2+]C5)CO4)C3)nc2c1 ZINC001650034500 1353695698 /nfs/dbraw/zinc/69/56/98/1353695698.db2.gz FVINHBNKSBKWOF-CABCVRRESA-N 2 0 326.444 2.121 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001656446797 1354237739 /nfs/dbraw/zinc/23/77/39/1354237739.db2.gz CSZLKRBICSNEAV-MAUKXSAKSA-N 2 0 348.491 2.123 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cnccn1 ZINC001660203073 1354415821 /nfs/dbraw/zinc/41/58/21/1354415821.db2.gz GYOKNFNNENWYSI-AEFFLSMTSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1ncc(C[NH+](CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C2CC2)o1 ZINC001660752730 1354531813 /nfs/dbraw/zinc/53/18/13/1354531813.db2.gz HUUZJUINLVHPJC-GASCZTMLSA-N 2 0 348.491 2.327 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001661213264 1354608428 /nfs/dbraw/zinc/60/84/28/1354608428.db2.gz OHSJJXOSTYJORR-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001661885646 1354717987 /nfs/dbraw/zinc/71/79/87/1354717987.db2.gz LPSIJQZENAMGIH-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001661921546 1354723095 /nfs/dbraw/zinc/72/30/95/1354723095.db2.gz DEJARXUHMJWJJV-ZOXRBWTQSA-N 2 0 327.900 2.440 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001662581862 1354807838 /nfs/dbraw/zinc/80/78/38/1354807838.db2.gz LEBQQJYSXFVLAL-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)n1 ZINC001664111949 1355094867 /nfs/dbraw/zinc/09/48/67/1355094867.db2.gz XMLFSLYEKIOMKC-UHFFFAOYSA-N 2 0 332.492 2.121 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664241048 1355120615 /nfs/dbraw/zinc/12/06/15/1355120615.db2.gz PAVDNCZVZKWWTQ-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP COCCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001664726233 1355224490 /nfs/dbraw/zinc/22/44/90/1355224490.db2.gz GRRXYLGAAYQIPR-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCc3cncn3C2)CCCC1 ZINC001665934019 1355412587 /nfs/dbraw/zinc/41/25/87/1355412587.db2.gz VYGSPOVTWRNHLO-MRXNPFEDSA-N 2 0 330.476 2.430 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976251 1355625337 /nfs/dbraw/zinc/62/53/37/1355625337.db2.gz ADSQLOVIGACXKF-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667150775 1355658021 /nfs/dbraw/zinc/65/80/21/1355658021.db2.gz HRFQHSUPEOALAG-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001668555046 1355961543 /nfs/dbraw/zinc/96/15/43/1355961543.db2.gz GYHYCJAVVZHIRW-UHFFFAOYSA-N 2 0 334.508 2.306 10 0 EEAERP CCN(CC[NH2+]CCCc1cccc(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001668619672 1355974235 /nfs/dbraw/zinc/97/42/35/1355974235.db2.gz QKNOIBDSKNXRDE-UHFFFAOYSA-N 2 0 343.515 2.462 10 0 EEAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669665145 1356191186 /nfs/dbraw/zinc/19/11/86/1356191186.db2.gz QVRAQMMNAPDFOS-YOEHRIQHSA-N 2 0 333.467 2.433 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001669749785 1356202261 /nfs/dbraw/zinc/20/22/61/1356202261.db2.gz ATHMBDFZRGPOQC-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP CC/C=C/CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCOCC1 ZINC001671934779 1356440979 /nfs/dbraw/zinc/44/09/79/1356440979.db2.gz HXECWYPGENIFLM-AATRIKPKSA-N 2 0 337.508 2.082 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001672326829 1356501732 /nfs/dbraw/zinc/50/17/32/1356501732.db2.gz FKDSKNXNNSLSGO-AEFFLSMTSA-N 2 0 349.494 2.394 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001673131403 1356648225 /nfs/dbraw/zinc/64/82/25/1356648225.db2.gz IPCNHGLLPRGEQA-CYBMUJFWSA-N 2 0 334.291 2.372 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCOc2ccc(C)cc2)C1 ZINC001673917796 1356759783 /nfs/dbraw/zinc/75/97/83/1356759783.db2.gz QUSVNNRYWHEQOY-MJGOQNOKSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccns2)ccc2c[nH+]cn21 ZINC001674687186 1356876709 /nfs/dbraw/zinc/87/67/09/1356876709.db2.gz NFTMWLTVWYPTEH-NEPJUHHUSA-N 2 0 343.456 2.396 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)nc1 ZINC001675946969 1357075393 /nfs/dbraw/zinc/07/53/93/1357075393.db2.gz GCXBIMRMGVKJMJ-MRXNPFEDSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC/C=C/c1ccccc1 ZINC001698771226 1405053237 /nfs/dbraw/zinc/05/32/37/1405053237.db2.gz DXFRIDVEIODQPV-LVJUENIKSA-N 2 0 329.488 2.384 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699019362 1405234051 /nfs/dbraw/zinc/23/40/51/1405234051.db2.gz FDRVAQMTEVMGGL-MAUKXSAKSA-N 2 0 344.459 2.167 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001699135748 1405286043 /nfs/dbraw/zinc/28/60/43/1405286043.db2.gz UCIUVBMNKDLVJL-IUODEOHRSA-N 2 0 326.510 2.022 10 0 EEAERP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001699279239 1405311816 /nfs/dbraw/zinc/31/18/16/1405311816.db2.gz WQSIZJPMBRCFME-QDLOVBKTSA-N 2 0 330.476 2.144 10 0 EEAERP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccccc2Cl)CCCO1 ZINC000819264956 785499240 /nfs/dbraw/zinc/49/92/40/785499240.db2.gz JBSBIGYHTOBBFK-YOEHRIQHSA-N 2 0 326.868 2.464 10 0 EEAERP CN(C)Cc1cnc(C[NH2+]CCc2cccc3c2OCCO3)s1 ZINC000922943872 788397968 /nfs/dbraw/zinc/39/79/68/788397968.db2.gz CNTJFVUXRXWNGC-UHFFFAOYSA-N 2 0 333.457 2.308 10 0 EEAERP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711278043 788585305 /nfs/dbraw/zinc/58/53/05/788585305.db2.gz DEAMZGSLGNXNIU-ZWKOTPCHSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000913276807 788753010 /nfs/dbraw/zinc/75/30/10/788753010.db2.gz MORGSYVAKNPMNB-BGYRXZFFSA-N 2 0 329.488 2.205 10 0 EEAERP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298917 789331964 /nfs/dbraw/zinc/33/19/64/789331964.db2.gz ZADGCOYFNCMDPR-MRXNPFEDSA-N 2 0 331.460 2.024 10 0 EEAERP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425647 789528134 /nfs/dbraw/zinc/52/81/34/789528134.db2.gz KHNOOZNCQQGSLO-UKRRQHHQSA-N 2 0 332.444 2.001 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ncccc1C(F)(F)F)CC2 ZINC000923447974 789560766 /nfs/dbraw/zinc/56/07/66/789560766.db2.gz YVDJPTPXVNNKJS-LBPRGKRZSA-N 2 0 329.366 2.430 10 0 EEAERP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000923497249 789670847 /nfs/dbraw/zinc/67/08/47/789670847.db2.gz AWJIRJYOYAJYKT-NVXWUHKLSA-N 2 0 345.487 2.103 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713378915 794564177 /nfs/dbraw/zinc/56/41/77/794564177.db2.gz OXYAFUIEAJGKOM-IZOMPHCZSA-N 2 0 327.472 2.141 10 0 EEAERP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CCN1c1cc[nH+]cc1 ZINC000915279702 795803753 /nfs/dbraw/zinc/80/37/53/795803753.db2.gz XTBBSGHQROZEMK-MRXNPFEDSA-N 2 0 339.443 2.040 10 0 EEAERP CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OCCO ZINC000716691699 796443081 /nfs/dbraw/zinc/44/30/81/796443081.db2.gz KJSOXFIZRGAHGD-FHWLQOOXSA-N 2 0 332.488 2.417 10 0 EEAERP COC(=O)N(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731652 796448206 /nfs/dbraw/zinc/44/82/06/796448206.db2.gz MCXVRSHUSQFGSD-BZSNNMDCSA-N 2 0 331.460 2.327 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000916165443 797535232 /nfs/dbraw/zinc/53/52/32/797535232.db2.gz RQTAUMRJQLEHTL-KRWDZBQOSA-N 2 0 335.496 2.104 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)ccn1 ZINC000921942103 798277133 /nfs/dbraw/zinc/27/71/33/798277133.db2.gz OBKYWPLELOCXCX-KZNAEPCWSA-N 2 0 333.476 2.317 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000917598106 798291296 /nfs/dbraw/zinc/29/12/96/798291296.db2.gz YSZHWPBCDHXXGZ-ROUUACIJSA-N 2 0 348.560 2.108 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001566464933 1125624466 /nfs/dbraw/zinc/62/44/66/1125624466.db2.gz BPTQEVLMDSWCTD-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001436415967 1087771856 /nfs/dbraw/zinc/77/18/56/1087771856.db2.gz OVIWMMFNUMTCSX-NWANDNLSSA-N 2 0 347.425 2.155 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC001436421317 1087781444 /nfs/dbraw/zinc/78/14/44/1087781444.db2.gz KFSQXTANPQMTEZ-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001436477664 1087948858 /nfs/dbraw/zinc/94/88/58/1087948858.db2.gz POUJAECRUAGUOG-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001436933780 1088605611 /nfs/dbraw/zinc/60/56/11/1088605611.db2.gz FCGPMRXDMWYXBO-HDJSIYSDSA-N 2 0 339.430 2.084 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](C/C=C/Cl)CC[C@H]32)CC1 ZINC001436946113 1088627814 /nfs/dbraw/zinc/62/78/14/1088627814.db2.gz QXZGKHJRDHRKPK-HWYYHXQYSA-N 2 0 339.911 2.394 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437161724 1089171379 /nfs/dbraw/zinc/17/13/79/1089171379.db2.gz HBXHJNYIQDDOFA-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC001437235386 1089334611 /nfs/dbraw/zinc/33/46/11/1089334611.db2.gz OAFBRZTUODNLPJ-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437261827 1089404255 /nfs/dbraw/zinc/40/42/55/1089404255.db2.gz DUKFZBPXPHGZOF-BBRMVZONSA-N 2 0 338.521 2.166 10 0 EEAERP CO[C@H](C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1)C1CCC1 ZINC001437358310 1089587008 /nfs/dbraw/zinc/58/70/08/1089587008.db2.gz OSIWTRCROHAGSN-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001437417170 1089698865 /nfs/dbraw/zinc/69/88/65/1089698865.db2.gz IAUOCWKAPVITOW-KDOFPFPSSA-N 2 0 345.462 2.393 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001437429621 1089726347 /nfs/dbraw/zinc/72/63/47/1089726347.db2.gz VOMIAQLUXXQRJX-CQSZACIVSA-N 2 0 332.448 2.152 10 0 EEAERP CC(C)c1ccccc1C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437540423 1089989283 /nfs/dbraw/zinc/98/92/83/1089989283.db2.gz CAVOMQXYAXAZJX-UHFFFAOYSA-N 2 0 329.488 2.454 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cnc(C)s1 ZINC001437689900 1090231764 /nfs/dbraw/zinc/23/17/64/1090231764.db2.gz TYYRDKOZVUXHEL-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001437819917 1090413572 /nfs/dbraw/zinc/41/35/72/1090413572.db2.gz NSESTNPKKCWIIL-OAHLLOKOSA-N 2 0 343.462 2.488 10 0 EEAERP C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001437840467 1090425292 /nfs/dbraw/zinc/42/52/92/1090425292.db2.gz NMJVGUYCOZVRCN-KBPBESRZSA-N 2 0 339.430 2.416 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001437919882 1090507115 /nfs/dbraw/zinc/50/71/15/1090507115.db2.gz QPCBESVXMUTNAC-DUIXZTDISA-N 2 0 327.900 2.440 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001437925238 1090518585 /nfs/dbraw/zinc/51/85/85/1090518585.db2.gz PVMLHPJFSFRWNE-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(NCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001437951965 1090549136 /nfs/dbraw/zinc/54/91/36/1090549136.db2.gz ZBJDHBRRVWVBEA-INIZCTEOSA-N 2 0 345.462 2.250 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCCF)C1)[NH+]1CCCC1 ZINC001437962238 1090557524 /nfs/dbraw/zinc/55/75/24/1090557524.db2.gz UNZYFCWSPFLCFK-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCCF)C1)[NH+]1CCCC1 ZINC001437962240 1090557837 /nfs/dbraw/zinc/55/78/37/1090557837.db2.gz UNZYFCWSPFLCFK-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001438540202 1091031862 /nfs/dbraw/zinc/03/18/62/1091031862.db2.gz INCPIJWRGAPBFY-OAHLLOKOSA-N 2 0 329.488 2.241 10 0 EEAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001438615137 1091104965 /nfs/dbraw/zinc/10/49/65/1091104965.db2.gz ZQTRVDQHZGMOOB-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC001438762838 1091334096 /nfs/dbraw/zinc/33/40/96/1091334096.db2.gz BXPOZFSVNYNAAI-CZUORRHYSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438856732 1091491828 /nfs/dbraw/zinc/49/18/28/1091491828.db2.gz SYXMSMSOBXZPGO-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@H]1CCCCO1 ZINC001438876140 1091521332 /nfs/dbraw/zinc/52/13/32/1091521332.db2.gz LOMGVWJRFMZPJX-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001438939206 1091622316 /nfs/dbraw/zinc/62/23/16/1091622316.db2.gz SJPNCBWQHIGOHF-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001439111060 1091756043 /nfs/dbraw/zinc/75/60/43/1091756043.db2.gz OWPMAQQUUUQLNM-WBVHZDCISA-N 2 0 349.523 2.105 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001439346706 1092052867 /nfs/dbraw/zinc/05/28/67/1092052867.db2.gz YHDBAMRNEWTZMI-YJBOKZPZSA-N 2 0 333.476 2.116 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001439536423 1092396226 /nfs/dbraw/zinc/39/62/26/1092396226.db2.gz IODPGJBMWBIMRN-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC001446268916 1092415842 /nfs/dbraw/zinc/41/58/42/1092415842.db2.gz VBPIKIONMLSVIX-YOEHRIQHSA-N 2 0 348.466 2.080 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH+](CCF)C1 ZINC001439682020 1092623853 /nfs/dbraw/zinc/62/38/53/1092623853.db2.gz GPJSSHBMAXMUGT-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1conc1C)[NH+](CC)CC ZINC001439786279 1092744471 /nfs/dbraw/zinc/74/44/71/1092744471.db2.gz YQVHLABCCPITOB-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001439904333 1092968184 /nfs/dbraw/zinc/96/81/84/1092968184.db2.gz YMPVYIOFWTUIKG-FUHWJXTLSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001439904863 1092969272 /nfs/dbraw/zinc/96/92/72/1092969272.db2.gz SRJCPXZKIZKXIE-FUHWJXTLSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@]1(C[NH2+]Cc2ccccc2F)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001439910036 1092978852 /nfs/dbraw/zinc/97/88/52/1092978852.db2.gz CAAGDCYLTYWFHQ-IBGZPJMESA-N 2 0 333.451 2.250 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](Cc2ocnc2C)CC1 ZINC001439922527 1093001335 /nfs/dbraw/zinc/00/13/35/1093001335.db2.gz NYFWSWHBVJPYIZ-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC[C@H](F)C[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001440229414 1093312431 /nfs/dbraw/zinc/31/24/31/1093312431.db2.gz DNRAMGMVVXMPNF-HNNXBMFYSA-N 2 0 325.472 2.001 10 0 EEAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001440288768 1093411543 /nfs/dbraw/zinc/41/15/43/1093411543.db2.gz KPIDTJMXASSLJL-HRCADAONSA-N 2 0 341.459 2.411 10 0 EEAERP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448424333 1093435144 /nfs/dbraw/zinc/43/51/44/1093435144.db2.gz BEVQUVJPXNVEHH-AKHDSKFASA-N 2 0 329.488 2.383 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2C1 ZINC001448466118 1093476740 /nfs/dbraw/zinc/47/67/40/1093476740.db2.gz DLYWCJOQRFEHTE-BRWVUGGUSA-N 2 0 349.544 2.459 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2C1 ZINC001448468569 1093480638 /nfs/dbraw/zinc/48/06/38/1093480638.db2.gz ITJKKCYVSVMZQZ-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001440350459 1093502571 /nfs/dbraw/zinc/50/25/71/1093502571.db2.gz QNTSUGMIASVBNZ-MZMPZRCHSA-N 2 0 333.451 2.249 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001448512474 1093537999 /nfs/dbraw/zinc/53/79/99/1093537999.db2.gz FSMWTANIKBEWSN-CTYIDZIISA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001440405719 1093595911 /nfs/dbraw/zinc/59/59/11/1093595911.db2.gz SQJWZAOQPXVUKJ-FUHWJXTLSA-N 2 0 344.503 2.249 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC001440414192 1093607953 /nfs/dbraw/zinc/60/79/53/1093607953.db2.gz VTAFHBCERDFOCY-PKOBYXMFSA-N 2 0 346.519 2.415 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc2conc2C)C2CC2)CC[N@@H+]1C ZINC001448581743 1093634743 /nfs/dbraw/zinc/63/47/43/1093634743.db2.gz MDHYIUTXBJHWNE-KSZLIROESA-N 2 0 348.491 2.040 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)ccc1C ZINC001448966739 1093972484 /nfs/dbraw/zinc/97/24/84/1093972484.db2.gz BJXNNRNNSIKJON-SJLPKXTDSA-N 2 0 347.503 2.423 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001449029777 1094038551 /nfs/dbraw/zinc/03/85/51/1094038551.db2.gz LUTZTJMYHFVBGC-WMZOPIPTSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1sccc1Cl ZINC001440859893 1094121800 /nfs/dbraw/zinc/12/18/00/1094121800.db2.gz OYOUXQQSSPXTBJ-RYUDHWBXSA-N 2 0 329.897 2.480 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1Cl)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440860887 1094122517 /nfs/dbraw/zinc/12/25/17/1094122517.db2.gz QQOCYHBZRYQOQG-CABCVRRESA-N 2 0 337.895 2.461 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001449328853 1094280649 /nfs/dbraw/zinc/28/06/49/1094280649.db2.gz ZYTRLNKQHORYNN-HIFRSBDPSA-N 2 0 345.478 2.494 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001441016165 1094296533 /nfs/dbraw/zinc/29/65/33/1094296533.db2.gz QHNJKKQKEHIEOK-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1)n1ccnc1 ZINC001441350337 1094862053 /nfs/dbraw/zinc/86/20/53/1094862053.db2.gz FWACLQDVCHXNNR-DJIMGWMZSA-N 2 0 345.447 2.143 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)c(C)o1 ZINC001441445427 1095074934 /nfs/dbraw/zinc/07/49/34/1095074934.db2.gz VODMCKABOJWZCG-BQFCYCMXSA-N 2 0 348.491 2.149 10 0 EEAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001441457379 1095108816 /nfs/dbraw/zinc/10/88/16/1095108816.db2.gz MXBAZUFKTGMBMK-QYZOEREBSA-N 2 0 329.488 2.178 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001441597333 1095439506 /nfs/dbraw/zinc/43/95/06/1095439506.db2.gz UCNLIOXNBDREQN-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001441686400 1095668537 /nfs/dbraw/zinc/66/85/37/1095668537.db2.gz MKNRWEZETOCRIK-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1oc(C)nc1C)CC2 ZINC001441868235 1095980014 /nfs/dbraw/zinc/98/00/14/1095980014.db2.gz OQDJARPQLVUDSZ-MJGOQNOKSA-N 2 0 348.491 2.246 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001441933711 1096124836 /nfs/dbraw/zinc/12/48/36/1096124836.db2.gz RBDCQVUOWQHERW-QAPCUYQASA-N 2 0 347.503 2.223 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001441988284 1096190643 /nfs/dbraw/zinc/19/06/43/1096190643.db2.gz FCIQEMLEJAKNRK-CZUORRHYSA-N 2 0 336.480 2.149 10 0 EEAERP CN(C[C@H](O)C[N@H+](C)CCC(C)(C)C)C(=O)CC[NH+]1CCCCC1 ZINC001442088869 1096308091 /nfs/dbraw/zinc/30/80/91/1096308091.db2.gz HDLCROUUUSKYOM-QGZVFWFLSA-N 2 0 341.540 2.050 10 0 EEAERP CCc1nocc1C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001442147910 1096398304 /nfs/dbraw/zinc/39/83/04/1096398304.db2.gz MTVRWTWNZSTVIA-HZPDHXFCSA-N 2 0 338.496 2.198 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC001442186781 1096457219 /nfs/dbraw/zinc/45/72/19/1096457219.db2.gz HUPROTWCWOROHC-NWDGAFQWSA-N 2 0 344.912 2.265 10 0 EEAERP Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001442217516 1096511630 /nfs/dbraw/zinc/51/16/30/1096511630.db2.gz HQHJKQOWFPLRSY-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001442219444 1096514514 /nfs/dbraw/zinc/51/45/14/1096514514.db2.gz AFTPETLLRNSTAP-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)Cc1cc(F)cc(F)c1 ZINC001442602005 1096973050 /nfs/dbraw/zinc/97/30/50/1096973050.db2.gz JKSDWSKIFWKVKM-KBPBESRZSA-N 2 0 339.430 2.386 10 0 EEAERP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@@H]1CCCCO1 ZINC001442695915 1097065902 /nfs/dbraw/zinc/06/59/02/1097065902.db2.gz SYIUZUIWOQWNFT-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001442805887 1097188313 /nfs/dbraw/zinc/18/83/13/1097188313.db2.gz SCXCISHASDYYJU-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001442809442 1097193382 /nfs/dbraw/zinc/19/33/82/1097193382.db2.gz CRDFBIKVKABUPJ-FUHWJXTLSA-N 2 0 345.487 2.118 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](C[C@H]1CCCCO1)C1CC1 ZINC001443010064 1097425357 /nfs/dbraw/zinc/42/53/57/1097425357.db2.gz UQDVZEXKRYFKRX-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001443618215 1098114992 /nfs/dbraw/zinc/11/49/92/1098114992.db2.gz XDGLZRKBGMOLGF-HZPDHXFCSA-N 2 0 345.487 2.146 10 0 EEAERP CCc1ccccc1C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001443631118 1098126090 /nfs/dbraw/zinc/12/60/90/1098126090.db2.gz WGDOPCOPVHMNJP-MRXNPFEDSA-N 2 0 329.488 2.139 10 0 EEAERP CCC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001443637744 1098133233 /nfs/dbraw/zinc/13/32/33/1098133233.db2.gz ZHMSAFAUKNTRFA-UHFFFAOYSA-N 2 0 342.487 2.448 10 0 EEAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1(C)C ZINC001452126591 1098236643 /nfs/dbraw/zinc/23/66/43/1098236643.db2.gz HFHHTYBLDPFDMM-XMTFNYHQSA-N 2 0 329.488 2.177 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522129 1098588680 /nfs/dbraw/zinc/58/86/80/1098588680.db2.gz KIBPXZKUQLESQW-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1OCC ZINC001479532670 1098598550 /nfs/dbraw/zinc/59/85/50/1098598550.db2.gz HPMHQNQNFYFDFS-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1C[C@@]23CN(C(=O)NCC[NH+]4CCC(C)(C)C4)C[C@]2(C1)CCCC3 ZINC001479553445 1098604631 /nfs/dbraw/zinc/60/46/31/1098604631.db2.gz HEOFENAKPCWENK-BGYRXZFFSA-N 2 0 348.535 2.236 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CC2CC(F)(F)C2)CCCC1 ZINC001444091473 1098623511 /nfs/dbraw/zinc/62/35/11/1098623511.db2.gz UDGFPUZZRMXBNY-UHFFFAOYSA-N 2 0 329.435 2.146 10 0 EEAERP Cc1ccc(CC[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001479790727 1098994426 /nfs/dbraw/zinc/99/44/26/1098994426.db2.gz QGQOFKUDAVBPDS-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2cnc(C)o2)C1 ZINC001479791448 1098995987 /nfs/dbraw/zinc/99/59/87/1098995987.db2.gz MUNGBGYHEHOCKL-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001444556734 1099352718 /nfs/dbraw/zinc/35/27/18/1099352718.db2.gz CYIQDXXFYLWGJB-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](F)C[NH+]1CC2(C1)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2 ZINC001444565227 1099372331 /nfs/dbraw/zinc/37/23/31/1099372331.db2.gz CUGLQEZPYQPQNQ-JKSUJKDBSA-N 2 0 345.478 2.339 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001444591747 1099416931 /nfs/dbraw/zinc/41/69/31/1099416931.db2.gz HTFWYURPXRMLNF-YXJHDRRASA-N 2 0 347.503 2.280 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCc1cccs1)CC2 ZINC001479984559 1099441718 /nfs/dbraw/zinc/44/17/18/1099441718.db2.gz DTBBRWHJEXGNKW-INIZCTEOSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444669931 1099510481 /nfs/dbraw/zinc/51/04/81/1099510481.db2.gz SBLUAYKFCNGNNI-UONOGXRCSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001480047417 1099552097 /nfs/dbraw/zinc/55/20/97/1099552097.db2.gz RSCOODLENWWTIR-KBXCAEBGSA-N 2 0 333.451 2.152 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001480111028 1099678385 /nfs/dbraw/zinc/67/83/85/1099678385.db2.gz UAEHVHZADCMHRK-DLBZAZTESA-N 2 0 339.430 2.196 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001444883738 1099910394 /nfs/dbraw/zinc/91/03/94/1099910394.db2.gz GIWYZAGFPOWRKY-SJORKVTESA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc2ccc(C)cc2)CC[N@@H+]1C ZINC001480463640 1100267944 /nfs/dbraw/zinc/26/79/44/1100267944.db2.gz GQKFBKRPMKLPEW-NZSAHSFTSA-N 2 0 331.504 2.362 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001480486212 1100296640 /nfs/dbraw/zinc/29/66/40/1100296640.db2.gz IUVHDJFZDXUAIM-DZGCQCFKSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001480571884 1100415640 /nfs/dbraw/zinc/41/56/40/1100415640.db2.gz OEGPXRKCWYOEJI-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001496207167 1100748721 /nfs/dbraw/zinc/74/87/21/1100748721.db2.gz NYHKMSUJTSCTAR-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)oc2C)C[C@H]1C ZINC001446420563 1100832845 /nfs/dbraw/zinc/83/28/45/1100832845.db2.gz OQUORNZRYBXEHY-CZUORRHYSA-N 2 0 336.480 2.102 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496296701 1100881525 /nfs/dbraw/zinc/88/15/25/1100881525.db2.gz RDSFLJDBHWUXQE-CABCVRRESA-N 2 0 331.451 2.104 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ncccc1C)C1CCCC1)[NH+](C)C ZINC001446494102 1100936968 /nfs/dbraw/zinc/93/69/68/1100936968.db2.gz CERFACBFGSBOSA-RBUKOAKNSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)s1 ZINC001496372574 1100965814 /nfs/dbraw/zinc/96/58/14/1100965814.db2.gz ABGRXOYXJKFCQT-BBRMVZONSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001496451864 1101043988 /nfs/dbraw/zinc/04/39/88/1101043988.db2.gz YLXBLACVPUCCPN-DZGCQCFKSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@H](C(=O)N[C@]1(C)CCN(Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567912 1101051288 /nfs/dbraw/zinc/05/12/88/1101051288.db2.gz XETNZAHTNLTVDO-CRAIPNDOSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001495372452 1101087491 /nfs/dbraw/zinc/08/74/91/1101087491.db2.gz AHVSZJYFKIKIIV-MRXNPFEDSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001495471158 1101181655 /nfs/dbraw/zinc/18/16/55/1101181655.db2.gz WTUKCILZPSJVCD-QAQDUYKDSA-N 2 0 341.540 2.406 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001495559997 1101272153 /nfs/dbraw/zinc/27/21/53/1101272153.db2.gz MLTRJOIADWKACE-WOJBJXKFSA-N 2 0 341.499 2.152 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001495596490 1101300809 /nfs/dbraw/zinc/30/08/09/1101300809.db2.gz PTXJJFSAOFPDSW-GOSISDBHSA-N 2 0 348.491 2.330 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001495683864 1101433594 /nfs/dbraw/zinc/43/35/94/1101433594.db2.gz SKXIPSHBEDLBDN-HIFRSBDPSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446946475 1101638832 /nfs/dbraw/zinc/63/88/32/1101638832.db2.gz VOBIEUVBCPOMDD-HOCLYGCPSA-N 2 0 335.517 2.417 10 0 EEAERP O=C(NCC1([NH2+]Cc2cccnc2)CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001495959969 1101833369 /nfs/dbraw/zinc/83/33/69/1101833369.db2.gz QDRFZKRCJMNCEO-IBGZPJMESA-N 2 0 342.487 2.086 10 0 EEAERP C[C@@H](F)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001447074909 1101930570 /nfs/dbraw/zinc/93/05/70/1101930570.db2.gz DQHCVCWTIZCDOZ-CRAIPNDOSA-N 2 0 335.467 2.434 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496168715 1102162479 /nfs/dbraw/zinc/16/24/79/1102162479.db2.gz HFUJPODPDBVZKZ-CABCVRRESA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1C ZINC001497332618 1102339546 /nfs/dbraw/zinc/33/95/46/1102339546.db2.gz PRJLDPVGYRXXDJ-QAPCUYQASA-N 2 0 332.492 2.249 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001497334183 1102342669 /nfs/dbraw/zinc/34/26/69/1102342669.db2.gz WXPODBKOJVIQDV-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001447338435 1102476253 /nfs/dbraw/zinc/47/62/53/1102476253.db2.gz AYWLCBHXPLFUTL-AEFFLSMTSA-N 2 0 348.491 2.280 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCC2(C[NH+](CCC3CC3)C2)O1 ZINC001447403079 1102596940 /nfs/dbraw/zinc/59/69/40/1102596940.db2.gz PSMKRHSDRQVJTP-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cccc(Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001497578085 1102691512 /nfs/dbraw/zinc/69/15/12/1102691512.db2.gz GJSXOAZNDGTIQV-LPQSXRFUSA-N 2 0 347.890 2.444 10 0 EEAERP CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001447462525 1102692430 /nfs/dbraw/zinc/69/24/30/1102692430.db2.gz AARZWAIONORZBS-UYAOXDASSA-N 2 0 347.503 2.033 10 0 EEAERP CC1CCC(C[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001497585887 1102702725 /nfs/dbraw/zinc/70/27/25/1102702725.db2.gz NSZZPKYAXBYCJD-SXMWIWCRSA-N 2 0 333.520 2.417 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001497660432 1102844241 /nfs/dbraw/zinc/84/42/41/1102844241.db2.gz IKFHEGSKPQPJBA-OAJJDEHYSA-N 2 0 333.451 2.417 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2F)C1 ZINC001497672987 1102872129 /nfs/dbraw/zinc/87/21/29/1102872129.db2.gz BYLDJUAXVUOMLE-BAABZTOOSA-N 2 0 337.414 2.069 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ocnc2C)[C@@H](C)C1 ZINC001447641497 1103034525 /nfs/dbraw/zinc/03/45/25/1103034525.db2.gz XVXOACKWSFHBFN-GOEBONIOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494029356 1103385289 /nfs/dbraw/zinc/38/52/89/1103385289.db2.gz OINWEIBBBHJBLQ-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC001494048894 1103425707 /nfs/dbraw/zinc/42/57/07/1103425707.db2.gz SOMFPJHAUPVBLE-AIADIJKESA-N 2 0 329.488 2.480 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001447905479 1103563045 /nfs/dbraw/zinc/56/30/45/1103563045.db2.gz JQBVUDMTGOIWEE-NWDGAFQWSA-N 2 0 325.419 2.400 10 0 EEAERP CO[C@H](C)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001447928724 1103620677 /nfs/dbraw/zinc/62/06/77/1103620677.db2.gz CPXOGMWACISECS-KLAILNCOSA-N 2 0 339.524 2.255 10 0 EEAERP COc1cc(Cl)ccc1C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001448079507 1103956445 /nfs/dbraw/zinc/95/64/45/1103956445.db2.gz BJHKZWGICRWNJF-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001448332201 1104408813 /nfs/dbraw/zinc/40/88/13/1104408813.db2.gz BYUXOYPVLKXCOO-MAUKXSAKSA-N 2 0 347.478 2.434 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001448333046 1104409444 /nfs/dbraw/zinc/40/94/44/1104409444.db2.gz JQIGDXFRHNCEMK-HNNXBMFYSA-N 2 0 335.467 2.411 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497984260 1106737390 /nfs/dbraw/zinc/73/73/90/1106737390.db2.gz XLFCGXBCGTUXDB-PUFASFLSSA-N 2 0 335.879 2.399 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001480770309 1107083766 /nfs/dbraw/zinc/08/37/66/1107083766.db2.gz RXWIKNDZXBHGPF-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC001480773247 1107091211 /nfs/dbraw/zinc/09/12/11/1107091211.db2.gz XAHZNLCFWRRZLQ-BLLLJJGKSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C12CC[NH+](CC1)C2 ZINC001498425780 1107498683 /nfs/dbraw/zinc/49/86/83/1107498683.db2.gz QABWVOLEMWJHII-MRXNPFEDSA-N 2 0 341.499 2.208 10 0 EEAERP CC(C)[N@H+](C)CCn1c(C2CC2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001454751997 1107583097 /nfs/dbraw/zinc/58/30/97/1107583097.db2.gz NBTMWSMXVAMTNH-KRWDZBQOSA-N 2 0 346.523 2.170 10 0 EEAERP CN(C)c1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001498568786 1107737014 /nfs/dbraw/zinc/73/70/14/1107737014.db2.gz YVEIQZINHSQWBY-LJQANCHMSA-N 2 0 346.519 2.175 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC001498658472 1107911662 /nfs/dbraw/zinc/91/16/62/1107911662.db2.gz PPUZBWIMFHWDLQ-OKILXGFUSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001498773770 1108074806 /nfs/dbraw/zinc/07/48/06/1108074806.db2.gz JUDYJJIRNQBGSX-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001498780495 1108088781 /nfs/dbraw/zinc/08/87/81/1108088781.db2.gz CKKPSOBIWZWLOY-ZWKOTPCHSA-N 2 0 333.451 2.294 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CCCOC ZINC001498898174 1108294545 /nfs/dbraw/zinc/29/45/45/1108294545.db2.gz LLBXUEWMYTZOGK-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CCCOC ZINC001498898178 1108294997 /nfs/dbraw/zinc/29/49/97/1108294997.db2.gz LLBXUEWMYTZOGK-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493549382 1108297414 /nfs/dbraw/zinc/29/74/14/1108297414.db2.gz HJLKILVHZDKPAK-HXUWFJFHSA-N 2 0 343.515 2.317 10 0 EEAERP CO[C@@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCOC1 ZINC001460804323 1110324785 /nfs/dbraw/zinc/32/47/85/1110324785.db2.gz NSJDUFLWAXBJHU-ANULTFPQSA-N 2 0 344.499 2.492 10 0 EEAERP c1cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001474163664 1110590622 /nfs/dbraw/zinc/59/06/22/1110590622.db2.gz BEGUNIFFTQLWEI-UHFFFAOYSA-N 2 0 345.410 2.197 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479319210 1110680427 /nfs/dbraw/zinc/68/04/27/1110680427.db2.gz GOBWOFXMRGFRRA-MAEOIBBWSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001479384907 1110689395 /nfs/dbraw/zinc/68/93/95/1110689395.db2.gz KAEVKHKUNZHYRW-MGPQQGTHSA-N 2 0 335.414 2.298 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCc3cccc(F)c3)CC2)C1 ZINC001499420770 1112278122 /nfs/dbraw/zinc/27/81/22/1112278122.db2.gz JDFYSQBCBXANIW-QGZVFWFLSA-N 2 0 347.478 2.339 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001499908157 1112536349 /nfs/dbraw/zinc/53/63/49/1112536349.db2.gz BYQZUHKYCKKTTP-OXUBUWLOSA-N 2 0 327.900 2.440 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCOC)C1 ZINC001500499129 1112890240 /nfs/dbraw/zinc/89/02/40/1112890240.db2.gz SEKIHCOHKQTXBH-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001501071077 1113188089 /nfs/dbraw/zinc/18/80/89/1113188089.db2.gz KLIICKPUWLXTGB-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001501077260 1113190178 /nfs/dbraw/zinc/19/01/78/1113190178.db2.gz WPHDDEVPMHKZBI-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H]([NH2+]CC1CCOCC1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001501679669 1113431373 /nfs/dbraw/zinc/43/13/73/1113431373.db2.gz SDHPDLXJKUHRBH-INIZCTEOSA-N 2 0 347.503 2.332 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502054377 1113571378 /nfs/dbraw/zinc/57/13/78/1113571378.db2.gz ZJODKDZPGZELMP-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccn1 ZINC001505455783 1113989748 /nfs/dbraw/zinc/98/97/48/1113989748.db2.gz HZEPTBDXHQHLFN-SFHVURJKSA-N 2 0 332.492 2.236 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCOCc1ccccc1 ZINC001505685026 1114129926 /nfs/dbraw/zinc/12/99/26/1114129926.db2.gz DIVXGXZGVOCGEL-IAGOWNOFSA-N 2 0 347.503 2.028 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505760557 1114174645 /nfs/dbraw/zinc/17/46/45/1114174645.db2.gz MHDNBCCNQOKVSO-JKSUJKDBSA-N 2 0 334.508 2.076 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506505327 1114657676 /nfs/dbraw/zinc/65/76/76/1114657676.db2.gz OABRGQROGTZQSK-DOTOQJQBSA-N 2 0 339.499 2.485 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506747813 1114860735 /nfs/dbraw/zinc/86/07/35/1114860735.db2.gz IGRLSEFSFZGVMJ-SFHVURJKSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001506802867 1114887206 /nfs/dbraw/zinc/88/72/06/1114887206.db2.gz JQZLOVARONCTRV-XDKFSHSGSA-N 2 0 333.451 2.132 10 0 EEAERP C[C@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001506828374 1114898532 /nfs/dbraw/zinc/89/85/32/1114898532.db2.gz NDCWLJXMTWRODA-XLAORIBOSA-N 2 0 339.499 2.295 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506931401 1114982431 /nfs/dbraw/zinc/98/24/31/1114982431.db2.gz ABLZOLKGPRGIDA-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC001506949406 1114998314 /nfs/dbraw/zinc/99/83/14/1114998314.db2.gz CIGKEOVBGKPCOD-DOTOQJQBSA-N 2 0 335.467 2.460 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1coc(C)n1 ZINC001506951871 1115000461 /nfs/dbraw/zinc/00/04/61/1115000461.db2.gz XAESFTRRTGOZCF-PBHICJAKSA-N 2 0 336.480 2.232 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001507003267 1115046700 /nfs/dbraw/zinc/04/67/00/1115046700.db2.gz SMOXAGUFEWICSS-OALUTQOASA-N 2 0 345.487 2.116 10 0 EEAERP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCCCCF ZINC001507384551 1115243073 /nfs/dbraw/zinc/24/30/73/1115243073.db2.gz WWXFOBXAFZFYFJ-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001507426358 1115262473 /nfs/dbraw/zinc/26/24/73/1115262473.db2.gz FYZGDMAFQZHNOY-RTBURBONSA-N 2 0 331.504 2.444 10 0 EEAERP COc1cccc(C[N@H+](C)CCN(C(=O)[C@@H]2CCC[NH+]2C)C(C)C)c1 ZINC001507768391 1115343244 /nfs/dbraw/zinc/34/32/44/1115343244.db2.gz KPQSVBUIBGZOJS-IBGZPJMESA-N 2 0 347.503 2.458 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001507833593 1115355641 /nfs/dbraw/zinc/35/56/41/1115355641.db2.gz CHIATOXIYRUUMS-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)s1 ZINC001508028240 1115392685 /nfs/dbraw/zinc/39/26/85/1115392685.db2.gz NUEFZNZEJHKCGS-KBPBESRZSA-N 2 0 338.521 2.024 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508034295 1115396408 /nfs/dbraw/zinc/39/64/08/1115396408.db2.gz WDCGJCGXTVMWTB-HZPDHXFCSA-N 2 0 341.540 2.264 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001508161732 1115431739 /nfs/dbraw/zinc/43/17/39/1115431739.db2.gz GRTVZLHWRPCJSN-HNNXBMFYSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1cnc(CN2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC001508215547 1115448404 /nfs/dbraw/zinc/44/84/04/1115448404.db2.gz QGJRKEWIPSXZPO-UHFFFAOYSA-N 2 0 346.475 2.106 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567943221 1124197526 /nfs/dbraw/zinc/19/75/26/1124197526.db2.gz ZQEPGQKFVRNSRP-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001568065851 1124270790 /nfs/dbraw/zinc/27/07/90/1124270790.db2.gz FPEZAGGRABHAMV-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001568207523 1124355306 /nfs/dbraw/zinc/35/53/06/1124355306.db2.gz BPCDZZBBPNKUGL-WMZOPIPTSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568274207 1124398933 /nfs/dbraw/zinc/39/89/33/1124398933.db2.gz TUNPINSKLDCJSE-CRAIPNDOSA-N 2 0 347.478 2.147 10 0 EEAERP CCOCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001568405920 1124475006 /nfs/dbraw/zinc/47/50/06/1124475006.db2.gz AQJGLBAPORTIDJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCCF ZINC001568428953 1124496284 /nfs/dbraw/zinc/49/62/84/1124496284.db2.gz KSIUTFZWXAEYRO-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCCCF)C1 ZINC001568515739 1124579953 /nfs/dbraw/zinc/57/99/53/1124579953.db2.gz OKBXAKFKTZNTGH-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001568541114 1124601952 /nfs/dbraw/zinc/60/19/52/1124601952.db2.gz FIBFHLSOLYRFCN-ABUMPJRPSA-N 2 0 327.900 2.345 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001568671767 1124685251 /nfs/dbraw/zinc/68/52/51/1124685251.db2.gz AOQWYAYLWQJSLV-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174553059 231240080 /nfs/dbraw/zinc/24/00/80/231240080.db2.gz JHKUGQJJABAMSE-PMACEKPBSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103300728 219287578 /nfs/dbraw/zinc/28/75/78/219287578.db2.gz OQJIMBFNWXLIPC-SFHVURJKSA-N 2 0 332.492 2.320 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000069349813 215383745 /nfs/dbraw/zinc/38/37/45/215383745.db2.gz SYHRODAHJLSDJC-OAHLLOKOSA-N 2 0 334.460 2.030 10 0 EEAERP CC(C)[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000036170786 213073978 /nfs/dbraw/zinc/07/39/78/213073978.db2.gz VBXZOWMXSWBPPE-OAHLLOKOSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cn2)C[C@@H](C)O1 ZINC000422878023 240270908 /nfs/dbraw/zinc/27/09/08/240270908.db2.gz IRLJLSZJSQSIGJ-JOCBIADPSA-N 2 0 332.492 2.302 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000422909107 240287601 /nfs/dbraw/zinc/28/76/01/240287601.db2.gz ZXHNQEYCAYDIAF-SFTDATJTSA-N 2 0 343.515 2.255 10 0 EEAERP COC[C@]1(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423414408 240479456 /nfs/dbraw/zinc/47/94/56/240479456.db2.gz MTTBTEYQMWNXHV-WIYYLYMNSA-N 2 0 345.531 2.440 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000276054615 256398809 /nfs/dbraw/zinc/39/88/09/256398809.db2.gz AQDRJPIHIGRVCX-QFBILLFUSA-N 2 0 346.519 2.415 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422882984 285373956 /nfs/dbraw/zinc/37/39/56/285373956.db2.gz PVLIWJQOPQQWRN-GUYCJALGSA-N 2 0 334.464 2.375 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C1CC1 ZINC000245683036 160247630 /nfs/dbraw/zinc/24/76/30/160247630.db2.gz VSUSJOKTINCQAI-OLMNPRSZSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000247542593 160328205 /nfs/dbraw/zinc/32/82/05/160328205.db2.gz YNNITHVYIXDUHU-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352757264 162273710 /nfs/dbraw/zinc/27/37/10/162273710.db2.gz SPZQMPWHGVUXOX-UHFFFAOYSA-N 2 0 341.503 2.204 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000352878065 162327528 /nfs/dbraw/zinc/32/75/28/162327528.db2.gz COIRBHNKFGSFTM-KRWDZBQOSA-N 2 0 345.553 2.045 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000371815527 166678193 /nfs/dbraw/zinc/67/81/93/166678193.db2.gz UQRWCHCXBJCXJW-INIZCTEOSA-N 2 0 330.476 2.017 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170827000 276334791 /nfs/dbraw/zinc/33/47/91/276334791.db2.gz OZZZUVKINUOXRO-GOSISDBHSA-N 2 0 332.492 2.374 10 0 EEAERP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173824020 280244108 /nfs/dbraw/zinc/24/41/08/280244108.db2.gz PFGKZYUHTSMXAM-MOPGFXCFSA-N 2 0 348.535 2.399 10 0 EEAERP CC1CC[NH+](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193490446 281816096 /nfs/dbraw/zinc/81/60/96/281816096.db2.gz WUGVPWNWJMXKSA-UHFFFAOYSA-N 2 0 336.524 2.236 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454714 290216547 /nfs/dbraw/zinc/21/65/47/290216547.db2.gz LQCXYQSQMOKUEN-FHWLQOOXSA-N 2 0 335.536 2.484 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166532333 311391343 /nfs/dbraw/zinc/39/13/43/311391343.db2.gz KAYDIIHTGBESFU-HBFSDRIKSA-N 2 0 331.504 2.380 10 0 EEAERP C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760087 313078566 /nfs/dbraw/zinc/07/85/66/313078566.db2.gz XQVDLCZVXQHOCN-LBPRGKRZSA-N 2 0 327.831 2.108 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416792032 313317482 /nfs/dbraw/zinc/31/74/82/313317482.db2.gz XOEHNODCDZPIOO-RBUKOAKNSA-N 2 0 342.487 2.359 10 0 EEAERP C[NH+](C)C1(CNC(=O)N(CC[NH3+])CCc2ccccc2)CCCC1 ZINC000416828235 313327041 /nfs/dbraw/zinc/32/70/41/313327041.db2.gz OOPYRARCOXGHFN-UHFFFAOYSA-N 2 0 332.492 2.074 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NCCC[NH3+])c1ccccc1Cl ZINC000416829772 313327786 /nfs/dbraw/zinc/32/77/86/313327786.db2.gz GDKNUUNKJMWHHP-HNNXBMFYSA-N 2 0 326.872 2.371 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416886966 313349597 /nfs/dbraw/zinc/34/95/97/313349597.db2.gz HKJRSHIBESRPMZ-MOPGFXCFSA-N 2 0 344.503 2.422 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCCC1 ZINC000416941609 313368178 /nfs/dbraw/zinc/36/81/78/313368178.db2.gz AJHXWYQVRXFRDL-KURKYZTESA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417256942 313465778 /nfs/dbraw/zinc/46/57/78/313465778.db2.gz SXMBYXWBPWUSBL-MAONVTDJSA-N 2 0 336.524 2.277 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000417931499 313655134 /nfs/dbraw/zinc/65/51/34/313655134.db2.gz LIXSXNGOMLFAMR-UMQBVGHOSA-N 2 0 336.524 2.138 10 0 EEAERP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418324770 313783187 /nfs/dbraw/zinc/78/31/87/313783187.db2.gz WHTWHOYDRHCRRY-ZWKOTPCHSA-N 2 0 336.524 2.284 10 0 EEAERP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000437526044 315039118 /nfs/dbraw/zinc/03/91/18/315039118.db2.gz OGSACVHWHWXEMX-DLBZAZTESA-N 2 0 337.533 2.089 10 0 EEAERP COC[C@H](C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000527115993 317154426 /nfs/dbraw/zinc/15/44/26/317154426.db2.gz XJBPMUIQMDDCTC-QGZVFWFLSA-N 2 0 325.541 2.397 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCCO1 ZINC000527955558 317292122 /nfs/dbraw/zinc/29/21/22/317292122.db2.gz MNTNNFPYGAZWHE-XNTOXWQXSA-N 2 0 344.499 2.417 10 0 EEAERP CCN(C)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000530248298 317704240 /nfs/dbraw/zinc/70/42/40/317704240.db2.gz IHCUIFJPGYAMTQ-SFHVURJKSA-N 2 0 332.492 2.128 10 0 EEAERP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000536828864 318010700 /nfs/dbraw/zinc/01/07/00/318010700.db2.gz WSHZTISRWRBKKZ-FUHWJXTLSA-N 2 0 344.503 2.420 10 0 EEAERP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)n(C)n1 ZINC000565475083 319185631 /nfs/dbraw/zinc/18/56/31/319185631.db2.gz OHSMZRFGKDMSAP-NVXWUHKLSA-N 2 0 342.491 2.210 10 0 EEAERP C[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000565823647 319217679 /nfs/dbraw/zinc/21/76/79/319217679.db2.gz OENSAFNAUDPCRT-YJBOKZPZSA-N 2 0 329.488 2.286 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000565831769 319219106 /nfs/dbraw/zinc/21/91/06/319219106.db2.gz DRSNHHWLFYHBHW-LJQANCHMSA-N 2 0 342.487 2.271 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000567571844 319391709 /nfs/dbraw/zinc/39/17/09/319391709.db2.gz HDXNVODYLHUOCN-LPHOPBHVSA-N 2 0 344.503 2.470 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000578549781 323652924 /nfs/dbraw/zinc/65/29/24/323652924.db2.gz ZSRVVNRVFWZRJV-IRXDYDNUSA-N 2 0 329.492 2.259 10 0 EEAERP C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000125565976 463557961 /nfs/dbraw/zinc/55/79/61/463557961.db2.gz WNGBGUMLISSPLD-VQIMIIECSA-N 2 0 336.476 2.067 10 0 EEAERP Cn1ccnc1[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000127702705 462575549 /nfs/dbraw/zinc/57/55/49/462575549.db2.gz KVCKUVXOGFXAHP-GOSISDBHSA-N 2 0 345.535 2.411 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000128616303 462657506 /nfs/dbraw/zinc/65/75/06/462657506.db2.gz MWSJWIRJNPIMAP-MJGOQNOKSA-N 2 0 346.519 2.490 10 0 EEAERP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)CC1CC[NH+](CCO)CC1 ZINC000075603058 462737857 /nfs/dbraw/zinc/73/78/57/462737857.db2.gz FBUGIPSHGRWGHL-UHFFFAOYSA-N 2 0 340.851 2.205 10 0 EEAERP C[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000155260448 462867318 /nfs/dbraw/zinc/86/73/18/462867318.db2.gz JOZNCZUSSNCIBX-FQEVSTJZSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000049794897 462979074 /nfs/dbraw/zinc/97/90/74/462979074.db2.gz VQJSEXYVBWRMMM-IEBWSBKVSA-N 2 0 346.519 2.333 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2=Cc3ccccc3OC2)CC1 ZINC000121121076 463083404 /nfs/dbraw/zinc/08/34/04/463083404.db2.gz WRSQVFJCHANHGB-MRXNPFEDSA-N 2 0 330.472 2.487 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000123614865 463355570 /nfs/dbraw/zinc/35/55/70/463355570.db2.gz ZJCRUJUHOCVITI-GOSISDBHSA-N 2 0 338.540 2.386 10 0 EEAERP C[N@H+](CCOc1c(Cl)cccc1Cl)CCN1CC[NH2+]CC1 ZINC000071150546 463409995 /nfs/dbraw/zinc/40/99/95/463409995.db2.gz CIIPUDORTCZSKZ-UHFFFAOYSA-N 2 0 332.275 2.209 10 0 EEAERP C[N@H+](CCn1cccn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862947 463479714 /nfs/dbraw/zinc/47/97/14/463479714.db2.gz XRUJPUKDROWRIX-HXUWFJFHSA-N 2 0 342.487 2.261 10 0 EEAERP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876714 463484919 /nfs/dbraw/zinc/48/49/19/463484919.db2.gz BXRZXZBXXGWXBU-GOSISDBHSA-N 2 0 343.471 2.423 10 0 EEAERP COc1ccc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(N)n3)CC2)cc1 ZINC000043533949 463645845 /nfs/dbraw/zinc/64/58/45/463645845.db2.gz LQCLLEXVAJAEMR-UHFFFAOYSA-N 2 0 327.432 2.088 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000170855480 463724146 /nfs/dbraw/zinc/72/41/46/463724146.db2.gz CTBRNDLJNRKLTH-AEFFLSMTSA-N 2 0 333.451 2.200 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000194152932 463803592 /nfs/dbraw/zinc/80/35/92/463803592.db2.gz KSZPHJWSMXPSSK-APWZRJJASA-N 2 0 344.503 2.217 10 0 EEAERP C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261858705 463881080 /nfs/dbraw/zinc/88/10/80/463881080.db2.gz WFJDWPGRNAFHTC-RWQQGDIJSA-N 2 0 329.488 2.165 10 0 EEAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000261873237 463885480 /nfs/dbraw/zinc/88/54/80/463885480.db2.gz YDJXYCOJMNTQDP-HZPDHXFCSA-N 2 0 339.549 2.229 10 0 EEAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261886618 463888807 /nfs/dbraw/zinc/88/88/07/463888807.db2.gz FYGKNHJDMPUJQD-VAMGGRTRSA-N 2 0 331.504 2.385 10 0 EEAERP Cc1cc2c(ncnc2N2CC[NH+](CC3CC[NH2+]CC3)CC2)s1 ZINC000261994007 463919840 /nfs/dbraw/zinc/91/98/40/463919840.db2.gz SQZNJLWEJMWCSW-UHFFFAOYSA-N 2 0 331.489 2.121 10 0 EEAERP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262011542 463924322 /nfs/dbraw/zinc/92/43/22/463924322.db2.gz VOISNGCDVIYDNX-FDPIWHGQSA-N 2 0 334.460 2.209 10 0 EEAERP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171900852 463944556 /nfs/dbraw/zinc/94/45/56/463944556.db2.gz LTDSWVYTWRTKIR-MSOLQXFVSA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262212993 463973507 /nfs/dbraw/zinc/97/35/07/463973507.db2.gz YJJSIWKUFJHWDJ-QRQLOZEOSA-N 2 0 345.487 2.164 10 0 EEAERP C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278855769 463999776 /nfs/dbraw/zinc/99/97/76/463999776.db2.gz QTWCQPVTJRQJRN-UVBQOVKKSA-N 2 0 330.472 2.312 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279167994 464051014 /nfs/dbraw/zinc/05/10/14/464051014.db2.gz QJVXYYZDRXSOQB-GOSISDBHSA-N 2 0 341.503 2.236 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000174521577 464417669 /nfs/dbraw/zinc/41/76/69/464417669.db2.gz RDKJUEKCERMAAU-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000246446205 464585460 /nfs/dbraw/zinc/58/54/60/464585460.db2.gz NWXHGTKFERHDPY-IRXDYDNUSA-N 2 0 326.529 2.477 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000568966331 468414216 /nfs/dbraw/zinc/41/42/16/468414216.db2.gz GXYFWRHMZZMVHV-KPFFTGBYSA-N 2 0 344.503 2.481 10 0 EEAERP CCC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182513262 464671788 /nfs/dbraw/zinc/67/17/88/464671788.db2.gz XQBXEJLDSRPBDP-MOPGFXCFSA-N 2 0 347.503 2.018 10 0 EEAERP Cc1nccn1CCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182622105 464695290 /nfs/dbraw/zinc/69/52/90/464695290.db2.gz IOUUCJGYEDOAIZ-YOFSQIOKSA-N 2 0 345.535 2.215 10 0 EEAERP C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248652872 464780791 /nfs/dbraw/zinc/78/07/91/464780791.db2.gz OFUBTYOTVIDZNC-AEFFLSMTSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000337354387 465322639 /nfs/dbraw/zinc/32/26/39/465322639.db2.gz CUMAPAVZJMTSQH-SJLPKXTDSA-N 2 0 332.492 2.463 10 0 EEAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478584 466113491 /nfs/dbraw/zinc/11/34/91/466113491.db2.gz SAZAYXQFAYKYFB-MOPGFXCFSA-N 2 0 327.476 2.211 10 0 EEAERP CSCC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000367153884 466162482 /nfs/dbraw/zinc/16/24/82/466162482.db2.gz PJNBQHZYRQSXQW-UHFFFAOYSA-N 2 0 341.565 2.442 10 0 EEAERP C[C@H]1CN(CCN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250112 466216361 /nfs/dbraw/zinc/21/63/61/466216361.db2.gz FJSSVFANSZVSGS-OALUTQOASA-N 2 0 331.504 2.304 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000349791243 466242191 /nfs/dbraw/zinc/24/21/91/466242191.db2.gz PCUVGQWVAVLNKX-SFHVURJKSA-N 2 0 341.503 2.047 10 0 EEAERP Cc1cnn(CCCCC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000363639366 466524761 /nfs/dbraw/zinc/52/47/61/466524761.db2.gz OFMAHSSTMWQCBW-FQEVSTJZSA-N 2 0 347.551 2.464 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417816954 466943592 /nfs/dbraw/zinc/94/35/92/466943592.db2.gz QRPCMSBDKMEVJD-JFIYKMOQSA-N 2 0 332.492 2.194 10 0 EEAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000417939728 466995442 /nfs/dbraw/zinc/99/54/42/466995442.db2.gz KWOZBASQBSWDPF-RTBURBONSA-N 2 0 344.503 2.463 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000417946478 466998540 /nfs/dbraw/zinc/99/85/40/466998540.db2.gz RMGQTUXLILNZFG-OKZBNKHCSA-N 2 0 330.476 2.263 10 0 EEAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000424272073 467019673 /nfs/dbraw/zinc/01/96/73/467019673.db2.gz SYGCYFMLKAHUKJ-QGFMHUBQSA-N 2 0 344.503 2.127 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418139843 467057742 /nfs/dbraw/zinc/05/77/42/467057742.db2.gz WEZBSWTXEZEMDW-DAWZGUTISA-N 2 0 334.508 2.177 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418384966 467103375 /nfs/dbraw/zinc/10/33/75/467103375.db2.gz PAHIYKKIASCKGU-GOSISDBHSA-N 2 0 332.492 2.107 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418614652 467136280 /nfs/dbraw/zinc/13/62/80/467136280.db2.gz JJNTVUPZHPICQF-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418684543 467146016 /nfs/dbraw/zinc/14/60/16/467146016.db2.gz BBCPJBRHIQEYFU-XKQJLSEDSA-N 2 0 336.455 2.169 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418726144 467151163 /nfs/dbraw/zinc/15/11/63/467151163.db2.gz OPBDXVCQHSRACR-NWDGAFQWSA-N 2 0 326.407 2.028 10 0 EEAERP O=C(C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000420327297 467358765 /nfs/dbraw/zinc/35/87/65/467358765.db2.gz YEOOBOMNTOMHPQ-INIZCTEOSA-N 2 0 327.472 2.287 10 0 EEAERP C=Cn1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397606847 467443534 /nfs/dbraw/zinc/44/35/34/467443534.db2.gz PYWFENIUAIFTAZ-UHFFFAOYSA-N 2 0 326.444 2.100 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415203193 467517686 /nfs/dbraw/zinc/51/76/86/467517686.db2.gz KLTVYIBLQABJEL-ZBFHGGJFSA-N 2 0 334.464 2.055 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[C@H](C)[N@H+]1C ZINC000454715178 467611392 /nfs/dbraw/zinc/61/13/92/467611392.db2.gz DFEZJGTVFPXQLX-CYGHRXIMSA-N 2 0 330.476 2.166 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396714 467638108 /nfs/dbraw/zinc/63/81/08/467638108.db2.gz MKDKTTMKGOPPFW-SESVDKBCSA-N 2 0 345.531 2.333 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000515143570 467975910 /nfs/dbraw/zinc/97/59/10/467975910.db2.gz KYLSCDRBRCFMAY-ZAWLATJESA-N 2 0 344.503 2.194 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@H]1c1ccccc1 ZINC000515223335 467980901 /nfs/dbraw/zinc/98/09/01/467980901.db2.gz NVSYBGRXEGQBRC-PSBWJHGTSA-N 2 0 344.503 2.496 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000516026240 468010394 /nfs/dbraw/zinc/01/03/94/468010394.db2.gz YZZPFCSOEWKBKI-HLLBOEOZSA-N 2 0 348.466 2.075 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000567905379 468236174 /nfs/dbraw/zinc/23/61/74/468236174.db2.gz VEQDSKQSFHVODP-MRXNPFEDSA-N 2 0 335.415 2.052 10 0 EEAERP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594510887 468612317 /nfs/dbraw/zinc/61/23/17/468612317.db2.gz PMMPYDLHFYWQDM-CPUCHLNUSA-N 2 0 347.459 2.120 10 0 EEAERP CCN(C[C@@H](O)C[N@H+](C)CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000570859951 468705829 /nfs/dbraw/zinc/70/58/29/468705829.db2.gz PZEIEQJVQFTGEI-HOJAQTOUSA-N 2 0 333.520 2.456 10 0 EEAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000601269346 468806132 /nfs/dbraw/zinc/80/61/32/468806132.db2.gz RAQINGNAOJCPTG-MOPGFXCFSA-N 2 0 346.519 2.331 10 0 EEAERP CC[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000561125639 468865656 /nfs/dbraw/zinc/86/56/56/468865656.db2.gz NSYCUKQAURAWGM-IPELMVKDSA-N 2 0 344.503 2.121 10 0 EEAERP C[C@H]1C[C@H](CCNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000561192556 468873434 /nfs/dbraw/zinc/87/34/34/468873434.db2.gz ZSIYUFCSVYZMSP-CAMMJAKZSA-N 2 0 344.503 2.418 10 0 EEAERP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000615182553 469173377 /nfs/dbraw/zinc/17/33/77/469173377.db2.gz KMVRCICYOHMFHD-XUVXKRRUSA-N 2 0 341.499 2.104 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[C@H]1c1ccc(F)cc1 ZINC000573964364 469237780 /nfs/dbraw/zinc/23/77/80/469237780.db2.gz YXCFFLXKROKXGM-RBUKOAKNSA-N 2 0 339.414 2.386 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000617007258 469568575 /nfs/dbraw/zinc/56/85/75/469568575.db2.gz OYMUHNVRAWGEOC-QZTJIDSGSA-N 2 0 329.488 2.498 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000629569023 469583201 /nfs/dbraw/zinc/58/32/01/469583201.db2.gz NRPKRESABHFINF-LSDHHAIUSA-N 2 0 347.459 2.166 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000623717518 469743707 /nfs/dbraw/zinc/74/37/07/469743707.db2.gz DPWSMCVABIXGHQ-NUJGCVRESA-N 2 0 336.524 2.423 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626925992 469757317 /nfs/dbraw/zinc/75/73/17/469757317.db2.gz USBLKZDZXHJQDO-QAPCUYQASA-N 2 0 332.492 2.468 10 0 EEAERP C[C@H]1CCC[C@](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)([NH+](C)C)C1 ZINC000626945557 469765188 /nfs/dbraw/zinc/76/51/88/469765188.db2.gz KCRHJVASZVWZCX-KANFNMMFSA-N 2 0 336.524 2.138 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000626991301 469779865 /nfs/dbraw/zinc/77/98/65/469779865.db2.gz FIZXBTGLWFPHBR-RYQLBKOJSA-N 2 0 332.492 2.337 10 0 EEAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000608500926 469829852 /nfs/dbraw/zinc/82/98/52/469829852.db2.gz ZAJAMQGNVFLVIO-VQTJNVASSA-N 2 0 333.520 2.286 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000627166279 469831210 /nfs/dbraw/zinc/83/12/10/469831210.db2.gz BCTXYGUPOQJAHN-NZSAHSFTSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199908 469841649 /nfs/dbraw/zinc/84/16/49/469841649.db2.gz FZGAFFYZFHQITF-NXHRZFHOSA-N 2 0 330.476 2.043 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929562 469842225 /nfs/dbraw/zinc/84/22/25/469842225.db2.gz MDEDHGJVYYOPJO-RTBURBONSA-N 2 0 344.503 2.236 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000620621775 469876596 /nfs/dbraw/zinc/87/65/96/469876596.db2.gz ULESNVCMZAUEIT-MRXNPFEDSA-N 2 0 341.565 2.441 10 0 EEAERP C[NH+](C)CC1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000627571553 469939337 /nfs/dbraw/zinc/93/93/37/469939337.db2.gz YIMAEALVENNISW-VQTJNVASSA-N 2 0 341.499 2.165 10 0 EEAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncc(OC)n2)CC1 ZINC000625275888 470110465 /nfs/dbraw/zinc/11/04/65/470110465.db2.gz KWDWAFIBFRYEHR-UHFFFAOYSA-N 2 0 336.480 2.056 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000625285771 470112251 /nfs/dbraw/zinc/11/22/51/470112251.db2.gz GNLIXCPDHDYBOQ-ZWKOTPCHSA-N 2 0 335.467 2.271 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661685 470176927 /nfs/dbraw/zinc/17/69/27/470176927.db2.gz BLXFJZQAORWNEX-QXAKKESOSA-N 2 0 327.476 2.414 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634699927 470281265 /nfs/dbraw/zinc/28/12/65/470281265.db2.gz QPGXQHBOALMESG-OGWHTMIXSA-N 2 0 326.525 2.246 10 0 EEAERP COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000633377079 470445164 /nfs/dbraw/zinc/44/51/64/470445164.db2.gz GKDWJWFEWGNLDA-UHFFFAOYSA-N 2 0 342.443 2.466 10 0 EEAERP CCC[C@@H]1CN(C(=O)NC/C=C\C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641866426 470504557 /nfs/dbraw/zinc/50/45/57/470504557.db2.gz BLIZONARAMQKHS-HPFMTEOYSA-N 2 0 330.476 2.197 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000646850199 470754979 /nfs/dbraw/zinc/75/49/79/470754979.db2.gz WVPRGKOWFGFHJE-ZWKOTPCHSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccnn2-c2ccccn2)C[C@H](C)O1 ZINC000647184941 470851831 /nfs/dbraw/zinc/85/18/31/470851831.db2.gz JCWOLBFJJKGWDK-IRXDYDNUSA-N 2 0 343.475 2.246 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647326071 470882732 /nfs/dbraw/zinc/88/27/32/470882732.db2.gz XAUBAMLZXBXZCM-AEFFLSMTSA-N 2 0 327.476 2.248 10 0 EEAERP CN(C)C(=O)COc1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480372 470911796 /nfs/dbraw/zinc/91/17/96/470911796.db2.gz KVFZGXZZMNXWQD-FUHWJXTLSA-N 2 0 345.487 2.118 10 0 EEAERP COCCN(C)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479633 470911877 /nfs/dbraw/zinc/91/18/77/470911877.db2.gz NTSCMQHQWHFXNM-QZTJIDSGSA-N 2 0 332.492 2.128 10 0 EEAERP COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899712 471010377 /nfs/dbraw/zinc/01/03/77/471010377.db2.gz SXOOLFXAIIMSEE-AEFFLSMTSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899297 471010500 /nfs/dbraw/zinc/01/05/00/471010500.db2.gz FYGGPFROYPQZPG-QRQLOZEOSA-N 2 0 329.488 2.498 10 0 EEAERP O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000647899492 471010527 /nfs/dbraw/zinc/01/05/27/471010527.db2.gz MUTNOVBZOVEZSD-RYQLBKOJSA-N 2 0 343.471 2.090 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000647900709 471011530 /nfs/dbraw/zinc/01/15/30/471011530.db2.gz FLKAIWBODHWPHQ-ZBFHGGJFSA-N 2 0 345.443 2.208 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654550006 471066917 /nfs/dbraw/zinc/06/69/17/471066917.db2.gz DRNKPXFDQTTZDR-GBESFXJTSA-N 2 0 344.503 2.148 10 0 EEAERP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657361403 471113625 /nfs/dbraw/zinc/11/36/25/471113625.db2.gz CVNHSDTZNZIHMF-CABCVRRESA-N 2 0 327.432 2.004 10 0 EEAERP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496930 471152632 /nfs/dbraw/zinc/15/26/32/471152632.db2.gz TZZJERIODZRIDI-OALUTQOASA-N 2 0 345.487 2.041 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000657572670 471172956 /nfs/dbraw/zinc/17/29/56/471172956.db2.gz BEQRITNYBHOCPP-INIZCTEOSA-N 2 0 329.492 2.438 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Br)o1 ZINC000657574298 471173873 /nfs/dbraw/zinc/17/38/73/471173873.db2.gz VUWQVKGTNRIQRG-LBPRGKRZSA-N 2 0 332.286 2.404 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652148056 471244834 /nfs/dbraw/zinc/24/48/34/471244834.db2.gz LXOINIRIFBEMFG-KBPBESRZSA-N 2 0 336.455 2.347 10 0 EEAERP C[C@H](NC(=O)NCCC1(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652176470 471250662 /nfs/dbraw/zinc/25/06/62/471250662.db2.gz HFVMMDLMGJZFFZ-WMZOPIPTSA-N 2 0 344.503 2.325 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000641247876 471252156 /nfs/dbraw/zinc/25/21/56/471252156.db2.gz FKQGWTVNKFOXEJ-PKOBYXMFSA-N 2 0 344.503 2.210 10 0 EEAERP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655467013 471338830 /nfs/dbraw/zinc/33/88/30/471338830.db2.gz CBTKCPGKHOCAHR-WSTZPKSXSA-N 2 0 327.472 2.109 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000663400625 471358381 /nfs/dbraw/zinc/35/83/81/471358381.db2.gz UBVHLNDOWXQADE-GOSISDBHSA-N 2 0 330.476 2.027 10 0 EEAERP CCN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000663507040 471405335 /nfs/dbraw/zinc/40/53/35/471405335.db2.gz RQICDFKIKBXQHE-GOSISDBHSA-N 2 0 332.492 2.244 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659047781 471487279 /nfs/dbraw/zinc/48/72/79/471487279.db2.gz VGUFKPCJOMNODV-PBHICJAKSA-N 2 0 334.464 2.198 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000663765564 471507838 /nfs/dbraw/zinc/50/78/38/471507838.db2.gz YTBYQTCKNLXCLB-MSOLQXFVSA-N 2 0 346.519 2.331 10 0 EEAERP C[C@@H](CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655923455 471542167 /nfs/dbraw/zinc/54/21/67/471542167.db2.gz YOZNWRVBFRNQQC-JSGCOSHPSA-N 2 0 346.397 2.086 10 0 EEAERP CC[N@H+](CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1CCCCC1 ZINC000655931512 471546368 /nfs/dbraw/zinc/54/63/68/471546368.db2.gz KPERWJHBCCSWRH-CYBMUJFWSA-N 2 0 338.418 2.220 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659269719 471559362 /nfs/dbraw/zinc/55/93/62/471559362.db2.gz NSWOZBFWTXCUKT-QRQLOZEOSA-N 2 0 347.503 2.250 10 0 EEAERP C[C@]1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565842 471560340 /nfs/dbraw/zinc/56/03/40/471560340.db2.gz LETRHDAHIHQUMI-UYAOXDASSA-N 2 0 344.503 2.482 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000659318836 471579012 /nfs/dbraw/zinc/57/90/12/471579012.db2.gz DTDBIHIHNAPGKH-UHOSZYNNSA-N 2 0 347.503 2.156 10 0 EEAERP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381340 471598158 /nfs/dbraw/zinc/59/81/58/471598158.db2.gz KEYROKWVWDITNX-SFHVURJKSA-N 2 0 329.488 2.403 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000659434366 471625158 /nfs/dbraw/zinc/62/51/58/471625158.db2.gz MDELPCWPBIXJTO-GULBITTBSA-N 2 0 336.505 2.182 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659435675 471626185 /nfs/dbraw/zinc/62/61/85/471626185.db2.gz ZJSUJVQMLRRMIU-IXDOHACOSA-N 2 0 326.529 2.417 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000659455183 471634931 /nfs/dbraw/zinc/63/49/31/471634931.db2.gz UXWSFCSLQDLUQC-TZGCNFNXSA-N 2 0 330.476 2.249 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CC1C[NH+](C)C1)c1ccccc1 ZINC000664109958 471641235 /nfs/dbraw/zinc/64/12/35/471641235.db2.gz SWVNKADVVDJOOD-HNNXBMFYSA-N 2 0 332.492 2.319 10 0 EEAERP Cc1cc(CO)cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000664238118 471690945 /nfs/dbraw/zinc/69/09/45/471690945.db2.gz WKEBQYZXEXXJTJ-GOSISDBHSA-N 2 0 327.428 2.061 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000659622385 471701870 /nfs/dbraw/zinc/70/18/70/471701870.db2.gz QHPWIPGSGLDQEZ-QGZVFWFLSA-N 2 0 336.455 2.026 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000659621473 471702087 /nfs/dbraw/zinc/70/20/87/471702087.db2.gz FQMZPNVOMYPWMH-QGZVFWFLSA-N 2 0 335.496 2.458 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000661305368 471708947 /nfs/dbraw/zinc/70/89/47/471708947.db2.gz QYHIHJPAJFUMEX-HNNXBMFYSA-N 2 0 329.448 2.254 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000661305141 471709637 /nfs/dbraw/zinc/70/96/37/471709637.db2.gz NWXOQOSRLYCPKX-IBGZPJMESA-N 2 0 349.438 2.408 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000659873789 471773757 /nfs/dbraw/zinc/77/37/57/471773757.db2.gz NOTDKYAGIVKDIO-HXUWFJFHSA-N 2 0 332.488 2.372 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000667451329 471783446 /nfs/dbraw/zinc/78/34/46/471783446.db2.gz XDXVIBDNJUSFJK-LJQANCHMSA-N 2 0 330.476 2.398 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667789521 471905285 /nfs/dbraw/zinc/90/52/85/471905285.db2.gz QQISDMMJKYXQSQ-RTWAWAEBSA-N 2 0 343.515 2.481 10 0 EEAERP CCc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000654351894 471923751 /nfs/dbraw/zinc/92/37/51/471923751.db2.gz RZWRMQXUGMWUSP-UHOSZYNNSA-N 2 0 346.519 2.491 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000654407067 471946327 /nfs/dbraw/zinc/94/63/27/471946327.db2.gz ARHORTIXXDETIE-BPQIPLTHSA-N 2 0 332.492 2.237 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000665288918 471991445 /nfs/dbraw/zinc/99/14/45/471991445.db2.gz AWROYEHUMMGHFV-DOTOQJQBSA-N 2 0 327.488 2.485 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000662884859 472290794 /nfs/dbraw/zinc/29/07/94/472290794.db2.gz PTCFLCRISZWQNB-RTBURBONSA-N 2 0 337.423 2.001 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000452385056 485478255 /nfs/dbraw/zinc/47/82/55/485478255.db2.gz CPFCFWUMDJLZMP-MOPGFXCFSA-N 2 0 347.503 2.033 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651193582 485532885 /nfs/dbraw/zinc/53/28/85/485532885.db2.gz AMGBVGCESPHSRH-DLBZAZTESA-N 2 0 326.529 2.336 10 0 EEAERP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000658141645 485570668 /nfs/dbraw/zinc/57/06/68/485570668.db2.gz STGCPJXOYHJPOK-DNVCBOLYSA-N 2 0 328.460 2.320 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000683231958 486631485 /nfs/dbraw/zinc/63/14/85/486631485.db2.gz CFSKNCQIBPBTEN-HNNXBMFYSA-N 2 0 328.420 2.215 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000171906442 534218204 /nfs/dbraw/zinc/21/82/04/534218204.db2.gz QIQPHFLLSOEYEI-IAGOWNOFSA-N 2 0 346.475 2.215 10 0 EEAERP CC[N@@H+]1C[C@@H](C)N(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000416183928 527924792 /nfs/dbraw/zinc/92/47/92/527924792.db2.gz MAIAUJKYBVOPEE-IAGOWNOFSA-N 2 0 329.488 2.376 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000415931436 528353663 /nfs/dbraw/zinc/35/36/63/528353663.db2.gz LWVGYSKRGHHWOI-HNNXBMFYSA-N 2 0 348.491 2.105 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416159725 528998310 /nfs/dbraw/zinc/99/83/10/528998310.db2.gz NIQABCQZNZSKAN-LJQANCHMSA-N 2 0 329.488 2.425 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416159724 529008361 /nfs/dbraw/zinc/00/83/61/529008361.db2.gz NIQABCQZNZSKAN-IBGZPJMESA-N 2 0 329.488 2.425 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416247618 529287192 /nfs/dbraw/zinc/28/71/92/529287192.db2.gz PGAMTFXNOUAFMI-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C)C1 ZINC000459612043 535116596 /nfs/dbraw/zinc/11/65/96/535116596.db2.gz LWBNMBONSDQSHV-SCTDSRPQSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000727467454 576428778 /nfs/dbraw/zinc/42/87/78/576428778.db2.gz ZFPIQFYAWPSZQQ-INIZCTEOSA-N 2 0 341.496 2.088 10 0 EEAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCNC2=O)ccc1OC ZINC000775380500 577436209 /nfs/dbraw/zinc/43/62/09/577436209.db2.gz JGMIXWXXYZJMEA-YOEHRIQHSA-N 2 0 333.476 2.466 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000924970578 682151591 /nfs/dbraw/zinc/15/15/91/682151591.db2.gz SKKFHMTYRKVIEI-LJQANCHMSA-N 2 0 348.487 2.097 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]CCC2CC(O)C2)c2c1OC(F)(F)O2 ZINC000894564655 682975012 /nfs/dbraw/zinc/97/50/12/682975012.db2.gz BILPMIPUVREVKZ-UHFFFAOYSA-N 2 0 342.386 2.320 10 0 EEAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896939140 685999363 /nfs/dbraw/zinc/99/93/63/685999363.db2.gz IDPUTBBYJIXQGF-GUDVDZBRSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000927007157 693144304 /nfs/dbraw/zinc/14/43/04/693144304.db2.gz BPLWSRKAIOPCRK-YPMHNXCESA-N 2 0 327.270 2.207 10 0 EEAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485642456 1191876391 /nfs/dbraw/zinc/87/63/91/1191876391.db2.gz CMTHLVZKVROOOR-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)co1 ZINC001485723034 1191910128 /nfs/dbraw/zinc/91/01/28/1191910128.db2.gz VQPUREABDIGIIK-WMLDXEAASA-N 2 0 336.480 2.230 10 0 EEAERP CCO[C@H](C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1)C1CC1 ZINC001485767958 1191941731 /nfs/dbraw/zinc/94/17/31/1191941731.db2.gz UYEKXTANLRAJGW-GOSISDBHSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485814163 1191978196 /nfs/dbraw/zinc/97/81/96/1191978196.db2.gz RLWSFBUKWFLPIQ-QZTJIDSGSA-N 2 0 348.491 2.184 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001690957510 1176090143 /nfs/dbraw/zinc/09/01/43/1176090143.db2.gz KWLCEDGLSQRJCC-UHFFFAOYSA-N 2 0 335.414 2.395 10 0 EEAERP O=C(NC[C@@H]([NH2+]CCCCC(F)(F)F)C1CC1)C12CC[NH+](CC1)C2 ZINC001266439725 1176538476 /nfs/dbraw/zinc/53/84/76/1176538476.db2.gz UYIRJGDJSWQREN-CQSZACIVSA-N 2 0 347.425 2.299 10 0 EEAERP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC001772526772 1176903539 /nfs/dbraw/zinc/90/35/39/1176903539.db2.gz AUZKMQVKAMIKPO-CNZDXRFVSA-N 2 0 342.483 2.291 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480903970 1177859977 /nfs/dbraw/zinc/85/99/77/1177859977.db2.gz XVMXYFRIWSRRTA-HOTGVXAUSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691306261 1177873427 /nfs/dbraw/zinc/87/34/27/1177873427.db2.gz TVYXMYRHEAMQSJ-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)c1sccc1C[NH+](C)C ZINC001691336121 1177931148 /nfs/dbraw/zinc/93/11/48/1177931148.db2.gz FLCSXLIQCLPACW-UHFFFAOYSA-N 2 0 337.411 2.424 10 0 EEAERP CCc1noc(C)c1C[NH2+]CCN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001691362002 1177965217 /nfs/dbraw/zinc/96/52/17/1177965217.db2.gz DBUSNTRJXLKSAQ-UHFFFAOYSA-N 2 0 341.415 2.284 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691386316 1177993491 /nfs/dbraw/zinc/99/34/91/1177993491.db2.gz SJXHYVJBCKUYFY-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267171871 1178398682 /nfs/dbraw/zinc/39/86/82/1178398682.db2.gz PUTSETYVOPILQE-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001691446472 1178832630 /nfs/dbraw/zinc/83/26/30/1178832630.db2.gz WZHBOLZYYOIAGL-ZIAGYGMSSA-N 2 0 337.430 2.355 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001267459646 1179049078 /nfs/dbraw/zinc/04/90/78/1179049078.db2.gz XWOFTCKYECQDQR-FXAWDEMLSA-N 2 0 345.531 2.426 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC(F)(F)C1 ZINC001267513782 1179232292 /nfs/dbraw/zinc/23/22/92/1179232292.db2.gz DWDYJHKANLOQEK-OAHLLOKOSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)cc1F ZINC001481124978 1179826248 /nfs/dbraw/zinc/82/62/48/1179826248.db2.gz ZBURITVESYCVMX-QGZVFWFLSA-N 2 0 333.451 2.168 10 0 EEAERP Cc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001267753479 1180416603 /nfs/dbraw/zinc/41/66/03/1180416603.db2.gz BURAKOSFZQLATH-LJQANCHMSA-N 2 0 344.503 2.347 10 0 EEAERP CCN(C(=O)Cc1[nH]cnc1C)[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001267790170 1180535037 /nfs/dbraw/zinc/53/50/37/1180535037.db2.gz NKWGJDSUMIHIAA-KRWDZBQOSA-N 2 0 348.491 2.000 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCCF)NC(=O)C[N@H+](C)C1CCC1 ZINC001267870158 1180657867 /nfs/dbraw/zinc/65/78/67/1180657867.db2.gz JCYOAWFXQCIPNS-CRAIPNDOSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001481301832 1180960754 /nfs/dbraw/zinc/96/07/54/1180960754.db2.gz DBQWCJGIBWTWHE-ROUUACIJSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1nocc1C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001481352391 1181098630 /nfs/dbraw/zinc/09/86/30/1181098630.db2.gz VMKUPBGZHRBFAI-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001481379793 1181163608 /nfs/dbraw/zinc/16/36/08/1181163608.db2.gz KKBGPCNBOWVLKW-FGTMMUONSA-N 2 0 337.483 2.143 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CCCOC)CC1 ZINC001481514705 1181618479 /nfs/dbraw/zinc/61/84/79/1181618479.db2.gz LAXAVVFOHFBCMM-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001481516596 1181625041 /nfs/dbraw/zinc/62/50/41/1181625041.db2.gz XMYSPMDFCKNHQY-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001268152602 1181846719 /nfs/dbraw/zinc/84/67/19/1181846719.db2.gz ZWEYFEBXCSTMOC-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2nccn21 ZINC001268280935 1182147889 /nfs/dbraw/zinc/14/78/89/1182147889.db2.gz OLLKCCHGXLEAJY-HOTGVXAUSA-N 2 0 344.459 2.249 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001268379106 1182401590 /nfs/dbraw/zinc/40/15/90/1182401590.db2.gz DYIUQKMIUVQKMF-INIZCTEOSA-N 2 0 345.487 2.308 10 0 EEAERP Cc1ccccc1OCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268397654 1182476440 /nfs/dbraw/zinc/47/64/40/1182476440.db2.gz YRUPLCNCUKLEHS-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)ncn1 ZINC001268402308 1182498696 /nfs/dbraw/zinc/49/86/96/1182498696.db2.gz GIFQECQRNCTDTA-DOTOQJQBSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422495 1182588114 /nfs/dbraw/zinc/58/81/14/1182588114.db2.gz CTQXXLATVIHBTQ-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001268422669 1182589333 /nfs/dbraw/zinc/58/93/33/1182589333.db2.gz GMLXVFYSNWIVMH-HNNXBMFYSA-N 2 0 337.895 2.463 10 0 EEAERP CCN(CC[NH2+]CCCc1ccc(C)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439738 1182614715 /nfs/dbraw/zinc/61/47/15/1182614715.db2.gz UBYWSVYJSMREDN-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268450468 1182636112 /nfs/dbraw/zinc/63/61/12/1182636112.db2.gz NBDNVXKBCJXERP-UKRRQHHQSA-N 2 0 338.521 2.038 10 0 EEAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001481779477 1182681625 /nfs/dbraw/zinc/68/16/25/1182681625.db2.gz SZIOJGIXJIUXCP-MJGOQNOKSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481823294 1182743035 /nfs/dbraw/zinc/74/30/35/1182743035.db2.gz CMTZXDMYEYEQNM-QZTJIDSGSA-N 2 0 347.503 2.472 10 0 EEAERP CC[C@@H](CNC(=O)Cc1cncn1C)[NH2+][C@@H]1CCc2ccccc21 ZINC001481870360 1182844498 /nfs/dbraw/zinc/84/44/98/1182844498.db2.gz MGWAETFYYLGFPA-MAUKXSAKSA-N 2 0 326.444 2.135 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001481878515 1182876067 /nfs/dbraw/zinc/87/60/67/1182876067.db2.gz JOGSAMOSSPZVNJ-KRWDZBQOSA-N 2 0 328.460 2.248 10 0 EEAERP CCc1noc(C)c1C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001481911834 1182934896 /nfs/dbraw/zinc/93/48/96/1182934896.db2.gz DASJJDGTVUOWAL-UHFFFAOYSA-N 2 0 348.491 2.160 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccccn1)NC(=O)CC[NH+](C)C ZINC001481962354 1183034724 /nfs/dbraw/zinc/03/47/24/1183034724.db2.gz QUVMSBJYVDGPTG-LPHOPBHVSA-N 2 0 332.492 2.188 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001268523169 1183176938 /nfs/dbraw/zinc/17/69/38/1183176938.db2.gz POGPUXDGKZZREX-CJBXHNHZSA-N 2 0 331.435 2.169 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001268587746 1183385916 /nfs/dbraw/zinc/38/59/16/1183385916.db2.gz KYDBREHNRFRPJL-LSTKMXGYSA-N 2 0 345.462 2.417 10 0 EEAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268591707 1183394054 /nfs/dbraw/zinc/39/40/54/1183394054.db2.gz BFDMTDUINVQOOF-ZSQQTYLHSA-N 2 0 329.488 2.250 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001268708449 1183626629 /nfs/dbraw/zinc/62/66/29/1183626629.db2.gz CBWZTLVFSUDMCV-SFHVURJKSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269083228 1183946026 /nfs/dbraw/zinc/94/60/26/1183946026.db2.gz BUQPEQJZJPLWFJ-ZBFHGGJFSA-N 2 0 325.472 2.095 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001269989571 1184769507 /nfs/dbraw/zinc/76/95/07/1184769507.db2.gz UJBIAZBGDWHERD-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001270221332 1184933978 /nfs/dbraw/zinc/93/39/78/1184933978.db2.gz DOIHGGQZDRJHOP-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CCCC1 ZINC001270390798 1185068975 /nfs/dbraw/zinc/06/89/75/1185068975.db2.gz ZPXCKMFIPGVHAP-UONOGXRCSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@]1(C[NH2+]CCCC2CCC2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001270828665 1185436269 /nfs/dbraw/zinc/43/62/69/1185436269.db2.gz HBXSDUFCRTVSOR-LJQANCHMSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001482368607 1185530571 /nfs/dbraw/zinc/53/05/71/1185530571.db2.gz IALAVZWIGAQYQR-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001270959113 1185774310 /nfs/dbraw/zinc/77/43/10/1185774310.db2.gz SHDAQRRPVABHPZ-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001271577976 1186319572 /nfs/dbraw/zinc/31/95/72/1186319572.db2.gz YUKDHVDFIOCYPF-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001271628114 1186342986 /nfs/dbraw/zinc/34/29/86/1186342986.db2.gz CLHXQPFYAHUWCU-PKOBYXMFSA-N 2 0 343.515 2.398 10 0 EEAERP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001482495401 1186396593 /nfs/dbraw/zinc/39/65/93/1186396593.db2.gz OVQHSDPYTBSLPY-AEFFLSMTSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001271738253 1186445951 /nfs/dbraw/zinc/44/59/51/1186445951.db2.gz GHFNLYYYNUKWOZ-CHWSQXEVSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001482536309 1186575730 /nfs/dbraw/zinc/57/57/30/1186575730.db2.gz PZJMIKQQVAHSTB-OALUTQOASA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001482553087 1186699479 /nfs/dbraw/zinc/69/94/79/1186699479.db2.gz KCDDWUSLRWRPSK-QWHCGFSZSA-N 2 0 336.307 2.378 10 0 EEAERP CN(CC[N@H+](C)CCC[C@H]1CCOC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482617995 1187430195 /nfs/dbraw/zinc/43/01/95/1187430195.db2.gz YRHRITSPIMXNBZ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)c(C)n1 ZINC001482650569 1187481224 /nfs/dbraw/zinc/48/12/24/1187481224.db2.gz VSULQAGROHKGGH-UHFFFAOYSA-N 2 0 346.519 2.465 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272781758 1193495817 /nfs/dbraw/zinc/49/58/17/1193495817.db2.gz JCTLJRKQJZMMJZ-HDMKZQKVSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCC[NH+]2CCCC2)o1 ZINC001482698930 1187668979 /nfs/dbraw/zinc/66/89/79/1187668979.db2.gz UAKVMDDSDLQORV-FUHWJXTLSA-N 2 0 348.491 2.234 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001482846480 1187765358 /nfs/dbraw/zinc/76/53/58/1187765358.db2.gz KEUYOHFYCUNZML-DZGCQCFKSA-N 2 0 338.521 2.174 10 0 EEAERP C[C@@H](CC[NH2+]Cc1coc(C2CC2)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482883088 1187807423 /nfs/dbraw/zinc/80/74/23/1187807423.db2.gz BTTNOAPSPZUCED-HNNXBMFYSA-N 2 0 348.491 2.268 10 0 EEAERP CCc1cccc(C[NH2+]CCN(CC)C(=O)Cn2ccnc2C)c1 ZINC001482968812 1187906229 /nfs/dbraw/zinc/90/62/29/1187906229.db2.gz YLFFYLOVNZBYNE-UHFFFAOYSA-N 2 0 328.460 2.392 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001483027468 1188034233 /nfs/dbraw/zinc/03/42/33/1188034233.db2.gz DXAHPUUVHLAFAD-ONEGZZNKSA-N 2 0 349.438 2.422 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001691620839 1188321437 /nfs/dbraw/zinc/32/14/37/1188321437.db2.gz PCCSYMDGJLRBNA-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1Cl ZINC001691622994 1188322658 /nfs/dbraw/zinc/32/26/58/1188322658.db2.gz HCANSZHOMAPVQE-UHFFFAOYSA-N 2 0 329.847 2.367 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\CNCc2c(F)cccc2F)C1 ZINC001483082928 1188444027 /nfs/dbraw/zinc/44/40/27/1188444027.db2.gz ZKORMXARIFDRHG-SFAKSCPVSA-N 2 0 337.414 2.069 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001483082254 1188445074 /nfs/dbraw/zinc/44/50/74/1188445074.db2.gz NDOOWICICWOWAH-VZSQWMKGSA-N 2 0 329.488 2.353 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001272228186 1188457849 /nfs/dbraw/zinc/45/78/49/1188457849.db2.gz YUZARSLWRUHRMX-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866395 1193583906 /nfs/dbraw/zinc/58/39/06/1193583906.db2.gz WOWHURLUIDNSIG-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001483188621 1189060513 /nfs/dbraw/zinc/06/05/13/1189060513.db2.gz PEYPBVYXMJXPOM-XLIONFOSSA-N 2 0 329.488 2.384 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485838110 1193608503 /nfs/dbraw/zinc/60/85/03/1193608503.db2.gz UADSFEXPFORORO-RTBURBONSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409368916 1189588462 /nfs/dbraw/zinc/58/84/62/1189588462.db2.gz MKAKIFJMZWJKLQ-STQMWFEESA-N 2 0 338.521 2.309 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485894010 1193632254 /nfs/dbraw/zinc/63/22/54/1193632254.db2.gz MPOYMAINLIAWBF-LSDHHAIUSA-N 2 0 327.513 2.111 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccns1 ZINC001485893547 1193632528 /nfs/dbraw/zinc/63/25/28/1193632528.db2.gz MUYWXJTVOMEVDB-GDBMZVCRSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001485895159 1193632675 /nfs/dbraw/zinc/63/26/75/1193632675.db2.gz YBAXBLUJLIRPEK-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccncc1Cl)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259411 1190284679 /nfs/dbraw/zinc/28/46/79/1190284679.db2.gz AHZOVUMDAMSJHG-IHRRRGAJSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1cc2ccccc2o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483411135 1190457268 /nfs/dbraw/zinc/45/72/68/1190457268.db2.gz YVCQXKDLGHESAM-HNNXBMFYSA-N 2 0 341.455 2.465 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001483593289 1190577731 /nfs/dbraw/zinc/57/77/31/1190577731.db2.gz UZBLUROCAZXZJL-RTBURBONSA-N 2 0 344.503 2.329 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486123678 1193688345 /nfs/dbraw/zinc/68/83/45/1193688345.db2.gz GKWIKMBPCBXIOL-GDBMZVCRSA-N 2 0 337.895 2.413 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2cccnc2)C2CCCC2)CC[N@@H+]1C ZINC001484002290 1191151628 /nfs/dbraw/zinc/15/16/28/1191151628.db2.gz TZWMRFFSIWSZTH-ATZDWAIDSA-N 2 0 344.503 2.186 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001484020208 1191159198 /nfs/dbraw/zinc/15/91/98/1191159198.db2.gz PWBIRRIOBUXLNU-IBGZPJMESA-N 2 0 333.520 2.443 10 0 EEAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCOCC2)C1)[NH+](CC)CC ZINC001484058113 1191180766 /nfs/dbraw/zinc/18/07/66/1191180766.db2.gz PKGQGKSQXPLECV-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001484377842 1191321301 /nfs/dbraw/zinc/32/13/01/1191321301.db2.gz SXJQZHHFORVWJD-ZWKOTPCHSA-N 2 0 347.503 2.010 10 0 EEAERP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001484442239 1191350203 /nfs/dbraw/zinc/35/02/03/1191350203.db2.gz FABPCMDRDYXHMA-QUCCMNQESA-N 2 0 347.503 2.033 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001484532858 1191401269 /nfs/dbraw/zinc/40/12/69/1191401269.db2.gz KSVIIFCAUJTBOZ-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001484541382 1191406528 /nfs/dbraw/zinc/40/65/28/1191406528.db2.gz LNDCXYQKOPSYKU-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP COC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001484557156 1191413773 /nfs/dbraw/zinc/41/37/73/1191413773.db2.gz GBIANRPMEGSGBQ-IAGOWNOFSA-N 2 0 347.503 2.111 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001484700618 1191472225 /nfs/dbraw/zinc/47/22/25/1191472225.db2.gz PSNNVOPNEZDMKJ-IBGZPJMESA-N 2 0 349.519 2.180 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001484726834 1191486383 /nfs/dbraw/zinc/48/63/83/1191486383.db2.gz TVPPXYGTIJMELF-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001484897398 1191567647 /nfs/dbraw/zinc/56/76/47/1191567647.db2.gz KVFAJCUATIKWKQ-ZBFHGGJFSA-N 2 0 344.459 2.106 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001484897397 1191567772 /nfs/dbraw/zinc/56/77/72/1191567772.db2.gz KVFAJCUATIKWKQ-HOCLYGCPSA-N 2 0 344.459 2.106 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001484928362 1191574124 /nfs/dbraw/zinc/57/41/24/1191574124.db2.gz PPDHCXQEQYTBGC-UHFFFAOYSA-N 2 0 348.491 2.363 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001485166979 1191676705 /nfs/dbraw/zinc/67/67/05/1191676705.db2.gz DTOFSXLUKYWAAA-NWDGAFQWSA-N 2 0 343.456 2.396 10 0 EEAERP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179787 1191679031 /nfs/dbraw/zinc/67/90/31/1191679031.db2.gz JLWQCRWBDBWVOW-KGLIPLIRSA-N 2 0 336.455 2.078 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485207042 1191693365 /nfs/dbraw/zinc/69/33/65/1191693365.db2.gz SVEIQTAJDJBDCI-KBPBESRZSA-N 2 0 336.480 2.006 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001485307695 1191727254 /nfs/dbraw/zinc/72/72/54/1191727254.db2.gz BNHPKCGSFOTKOX-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001486221619 1193759198 /nfs/dbraw/zinc/75/91/98/1193759198.db2.gz UWVYXYHKKFEISJ-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486240378 1193767020 /nfs/dbraw/zinc/76/70/20/1193767020.db2.gz LSULAPAQSNHBPK-CABCVRRESA-N 2 0 327.488 2.436 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)C(C)(C)C1 ZINC001486246722 1193773239 /nfs/dbraw/zinc/77/32/39/1193773239.db2.gz QJSYLMQGRHVMDX-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC001486246469 1193773387 /nfs/dbraw/zinc/77/33/87/1193773387.db2.gz LLAXJQKIWLBPDL-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)N(CC[N@H+](C)CCc1ccccc1F)C(=O)[C@H]1CC[NH+](C)C1 ZINC001486380015 1193891969 /nfs/dbraw/zinc/89/19/69/1193891969.db2.gz VPDYVRHYRDCUES-SFHVURJKSA-N 2 0 349.494 2.489 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001486402375 1193926881 /nfs/dbraw/zinc/92/68/81/1193926881.db2.gz DZCKIMWODADAQB-HNNXBMFYSA-N 2 0 327.488 2.343 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001486483440 1193997045 /nfs/dbraw/zinc/99/70/45/1193997045.db2.gz JQOBUDDFZFLPDE-WLYUNCDWSA-N 2 0 331.451 2.341 10 0 EEAERP CCc1ccc(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001273123591 1194407046 /nfs/dbraw/zinc/40/70/46/1194407046.db2.gz XJXAHLJABIUQKX-INIZCTEOSA-N 2 0 329.488 2.329 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176003 1197344917 /nfs/dbraw/zinc/34/49/17/1197344917.db2.gz ODPKSJWDCCWDAI-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001410160884 1197575514 /nfs/dbraw/zinc/57/55/14/1197575514.db2.gz PSJZWLFXRDVZQF-AXUOBQJMSA-N 2 0 345.462 2.277 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001410173130 1197583239 /nfs/dbraw/zinc/58/32/39/1197583239.db2.gz BEBHOIHFAZQQKO-GBESFXJTSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410224514 1197615078 /nfs/dbraw/zinc/61/50/78/1197615078.db2.gz CWFSZSIOYJLYFM-SAABIXHNSA-N 2 0 349.523 2.097 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001410288988 1197663283 /nfs/dbraw/zinc/66/32/83/1197663283.db2.gz CTFUOBQSLUSQJX-RBUKOAKNSA-N 2 0 344.503 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cc(C)no1)C1CC1 ZINC001410318528 1197698362 /nfs/dbraw/zinc/69/83/62/1197698362.db2.gz ZVRXRCSJRASIFP-ROUUACIJSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1cc(C(O)=CONC(=[NH2+])C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1C ZINC000871784567 1197900795 /nfs/dbraw/zinc/90/07/95/1197900795.db2.gz DDMHYNIWQKYGFI-GOOCMWNKSA-N 2 0 332.448 2.196 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CC2(CSC2)C1 ZINC000865088708 1198080988 /nfs/dbraw/zinc/08/09/88/1198080988.db2.gz JCCRFRQBHYUOBB-INIZCTEOSA-N 2 0 339.549 2.004 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CCC(C)([NH+](C)C)CC1 ZINC000865261321 1198145139 /nfs/dbraw/zinc/14/51/39/1198145139.db2.gz QWMLEANHZCIEPH-ISXOHVOVSA-N 2 0 326.554 2.198 10 0 EEAERP C[N@H+](CCSCC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000865365879 1198186388 /nfs/dbraw/zinc/18/63/88/1198186388.db2.gz ZLLYOAIJFHBWQA-UHFFFAOYSA-N 2 0 335.517 2.062 10 0 EEAERP O=C(c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1)N1CCCC1 ZINC000865415722 1198204602 /nfs/dbraw/zinc/20/46/02/1198204602.db2.gz NOZSLJVHCYORMY-UHFFFAOYSA-N 2 0 345.487 2.125 10 0 EEAERP COCC[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)NC(=O)OC(C)(C)C ZINC000865597882 1198292547 /nfs/dbraw/zinc/29/25/47/1198292547.db2.gz IGJNBKLSJICIHD-OAHLLOKOSA-N 2 0 348.447 2.354 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cnc(C)s2)[C@@H]1C ZINC001411028964 1198708675 /nfs/dbraw/zinc/70/86/75/1198708675.db2.gz CCSXANOJQPFQEA-CJNGLKHVSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000826075827 1200695738 /nfs/dbraw/zinc/69/57/38/1200695738.db2.gz CNUJCHSXYFWERC-HNNXBMFYSA-N 2 0 338.883 2.422 10 0 EEAERP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000870941707 1200969510 /nfs/dbraw/zinc/96/95/10/1200969510.db2.gz ZUYPIHXMVWWGKA-LERXQTSPSA-N 2 0 340.265 2.035 10 0 EEAERP C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000866414667 1201512368 /nfs/dbraw/zinc/51/23/68/1201512368.db2.gz RHQZUWXUDXRZOG-SXLOBPIMSA-N 2 0 345.531 2.332 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000868121930 1201748056 /nfs/dbraw/zinc/74/80/56/1201748056.db2.gz UVROICHCMMNDNE-QZTJIDSGSA-N 2 0 346.475 2.375 10 0 EEAERP C[C@@]12CN(C(=O)CC[NH2+]CC3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000717204874 1202137623 /nfs/dbraw/zinc/13/76/23/1202137623.db2.gz CBEDSQJMYFYHEA-PZJWPPBQSA-N 2 0 341.499 2.357 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001274088915 1204364596 /nfs/dbraw/zinc/36/45/96/1204364596.db2.gz LITKBWVNMDYWFL-ONEGZZNKSA-N 2 0 333.451 2.380 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1F ZINC001274132430 1204393383 /nfs/dbraw/zinc/39/33/83/1204393383.db2.gz AIVFCWQNCIBMFP-IDOMTICXSA-N 2 0 337.414 2.211 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001274161455 1204420290 /nfs/dbraw/zinc/42/02/90/1204420290.db2.gz IOTIYRNNZJWHNC-NSCUHMNNSA-N 2 0 343.471 2.086 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21)C12CC[NH+](CC1)C2 ZINC001274508229 1205062662 /nfs/dbraw/zinc/06/26/62/1205062662.db2.gz HGWJUOXICQVSRS-LPQSXRFUSA-N 2 0 343.446 2.171 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc(F)c(F)c1)[NH+](C)C ZINC001274796701 1205166565 /nfs/dbraw/zinc/16/65/65/1205166565.db2.gz CBTJVPIDIPOZMH-DYVFJYSZSA-N 2 0 341.446 2.188 10 0 EEAERP CC/C=C\CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001274867984 1205196763 /nfs/dbraw/zinc/19/67/63/1205196763.db2.gz RWRWHOPSZCQOBG-XDXAGZTOSA-N 2 0 349.519 2.130 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001275284160 1205298669 /nfs/dbraw/zinc/29/86/69/1205298669.db2.gz FIEYIRCVCGPWGO-LADRWXRNSA-N 2 0 339.499 2.483 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc2ccccc2c1)NC(=O)CC[NH+](C)C ZINC001275291288 1205300620 /nfs/dbraw/zinc/30/06/20/1205300620.db2.gz HXIXHLNISJFWTH-INIZCTEOSA-N 2 0 327.472 2.428 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001275323178 1205309042 /nfs/dbraw/zinc/30/90/42/1205309042.db2.gz DCOOSGHENLEAFP-FNORWQNLSA-N 2 0 327.900 2.489 10 0 EEAERP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[C@H]1O ZINC001411641300 1205468686 /nfs/dbraw/zinc/46/86/86/1205468686.db2.gz MJYOOVIDSRZQNX-RTBURBONSA-N 2 0 345.487 2.456 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001275837053 1205557730 /nfs/dbraw/zinc/55/77/30/1205557730.db2.gz ZVCWZUGSYMOCQN-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001411887717 1205580578 /nfs/dbraw/zinc/58/05/78/1205580578.db2.gz QJPKLMOZYLRHNE-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCOc1ccccc1CNC(=O)C1([NH+](C)C)CCCC1 ZINC001412481278 1205736178 /nfs/dbraw/zinc/73/61/78/1205736178.db2.gz MWUQGQHTGGLDPE-UHFFFAOYSA-N 2 0 333.476 2.118 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001276092703 1205777875 /nfs/dbraw/zinc/77/78/75/1205777875.db2.gz IMUWVFATPWYCTB-UHFFFAOYSA-N 2 0 341.415 2.191 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924658063 1206012548 /nfs/dbraw/zinc/01/25/48/1206012548.db2.gz JPGKROWSPQKPRR-UYAOXDASSA-N 2 0 330.520 2.410 10 0 EEAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000925239532 1206085730 /nfs/dbraw/zinc/08/57/30/1206085730.db2.gz FUHRPAGBLFLHQN-BHIYHBOVSA-N 2 0 336.524 2.386 10 0 EEAERP C[C@@H]1CC2(CC([NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)C2)CO1 ZINC000925441563 1206112167 /nfs/dbraw/zinc/11/21/67/1206112167.db2.gz ROUWKWWMEFTFDQ-MYWSLZCHSA-N 2 0 345.487 2.025 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000925531729 1206123926 /nfs/dbraw/zinc/12/39/26/1206123926.db2.gz MOLATIJLHDVYDA-MGPQQGTHSA-N 2 0 330.350 2.478 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C3(C)C)C2)c1 ZINC000925552634 1206127196 /nfs/dbraw/zinc/12/71/96/1206127196.db2.gz LJDYXTFKSTZXKY-RDTXWAMCSA-N 2 0 333.476 2.260 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C3(C)C)C2)c1 ZINC000925552630 1206127200 /nfs/dbraw/zinc/12/72/00/1206127200.db2.gz LJDYXTFKSTZXKY-KDOFPFPSSA-N 2 0 333.476 2.260 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C12CCC2 ZINC000925565717 1206129047 /nfs/dbraw/zinc/12/90/47/1206129047.db2.gz WXSJQOFLLUGQDH-MSOLQXFVSA-N 2 0 344.455 2.323 10 0 EEAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925801190 1206155226 /nfs/dbraw/zinc/15/52/26/1206155226.db2.gz VFZLGQKKJDVKDD-PIKOESSRSA-N 2 0 331.504 2.111 10 0 EEAERP Cc1c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cnn1-c1ccc(F)cc1 ZINC000925809962 1206156568 /nfs/dbraw/zinc/15/65/68/1206156568.db2.gz LRBRYKQJYMEKEF-CQSZACIVSA-N 2 0 345.466 2.394 10 0 EEAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000925848014 1206159957 /nfs/dbraw/zinc/15/99/57/1206159957.db2.gz YIYJEFOXKYSYHX-QGZVFWFLSA-N 2 0 346.519 2.115 10 0 EEAERP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854335 1206161468 /nfs/dbraw/zinc/16/14/68/1206161468.db2.gz MTEHLUJSPYXQQM-RHSMWYFYSA-N 2 0 334.435 2.422 10 0 EEAERP CSc1c(F)cc(NC(=O)NCCN2CCC([NH3+])CC2)cc1F ZINC000926090935 1206190309 /nfs/dbraw/zinc/19/03/09/1206190309.db2.gz QYYOKGJGNKHPQS-UHFFFAOYSA-N 2 0 344.431 2.231 10 0 EEAERP CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000926492335 1206224014 /nfs/dbraw/zinc/22/40/14/1206224014.db2.gz LXXCVLCLNAANGX-VAMGGRTRSA-N 2 0 332.488 2.056 10 0 EEAERP C[N@H+](C[C@@H](O)C1(O)CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753462 1206498152 /nfs/dbraw/zinc/49/81/52/1206498152.db2.gz ATOUKUIOLHYWSE-RBUKOAKNSA-N 2 0 332.488 2.106 10 0 EEAERP COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931074434 1206605024 /nfs/dbraw/zinc/60/50/24/1206605024.db2.gz FJBMHUHCZZMXDU-GVDBMIGSSA-N 2 0 326.481 2.008 10 0 EEAERP Cc1c(F)cccc1NC(=O)CCN1CCc2[nH+]ccc(N)c2C1 ZINC000931514578 1207402363 /nfs/dbraw/zinc/40/23/63/1207402363.db2.gz BUMQPQDMEZQQSJ-UHFFFAOYSA-N 2 0 328.391 2.498 10 0 EEAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001412811290 1208471281 /nfs/dbraw/zinc/47/12/81/1208471281.db2.gz YVDDYHASWKZGRZ-JYJNAYRXSA-N 2 0 325.472 2.190 10 0 EEAERP CO[C@@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000717932368 1211600438 /nfs/dbraw/zinc/60/04/38/1211600438.db2.gz ACHRUQANLRTEGL-IBGZPJMESA-N 2 0 332.488 2.418 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@]3(C)C[C@H](O)CN3C)c2C1 ZINC000901152574 1235287986 /nfs/dbraw/zinc/28/79/86/1235287986.db2.gz PDXJVRZKQPWJBE-KXBFYZLASA-N 2 0 331.460 2.052 10 0 EEAERP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001493240155 1249799431 /nfs/dbraw/zinc/79/94/31/1249799431.db2.gz IIRVRYBOFZOZGH-ICFKLAHKSA-N 2 0 327.900 2.442 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(OC)ccc1Cl)C2 ZINC000903492361 1240656922 /nfs/dbraw/zinc/65/69/22/1240656922.db2.gz BGEMHSRBBBJUSU-AHIWAGSCSA-N 2 0 338.835 2.061 10 0 EEAERP c1cc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729177 1241742753 /nfs/dbraw/zinc/74/27/53/1241742753.db2.gz JYWBEYJAXBHCCT-JTDSTZFVSA-N 2 0 330.428 2.321 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cnn1C ZINC000903896252 1242375051 /nfs/dbraw/zinc/37/50/51/1242375051.db2.gz UIMNKJQUXWWICO-QFBILLFUSA-N 2 0 327.476 2.386 10 0 EEAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958384 1242724829 /nfs/dbraw/zinc/72/48/29/1242724829.db2.gz ZCQYFIDAYBENAQ-WOPDTQHZSA-N 2 0 340.361 2.188 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC000903976993 1242823995 /nfs/dbraw/zinc/82/39/95/1242823995.db2.gz GWUSYXDABMKENK-PEYYIBSZSA-N 2 0 326.799 2.191 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474389 1248159221 /nfs/dbraw/zinc/15/92/21/1248159221.db2.gz YFKUHIRUNCKIDO-DZGCQCFKSA-N 2 0 338.883 2.424 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001491025595 1258584368 /nfs/dbraw/zinc/58/43/68/1258584368.db2.gz BVECTLOPBOMKKE-FGTMMUONSA-N 2 0 347.478 2.479 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC2CC(F)(F)C2)C1 ZINC001491220108 1258801268 /nfs/dbraw/zinc/80/12/68/1258801268.db2.gz AORFVWXAABNNMG-GDBMZVCRSA-N 2 0 343.462 2.344 10 0 EEAERP COc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001491225825 1258810738 /nfs/dbraw/zinc/81/07/38/1258810738.db2.gz QBDWVUURBJWBGK-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491287631 1258906386 /nfs/dbraw/zinc/90/63/86/1258906386.db2.gz OPKQDPFFJHWHTL-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCOC2CCC2)CC1 ZINC001491356058 1258990012 /nfs/dbraw/zinc/99/00/12/1258990012.db2.gz LLFWIKCGETUQGV-HTWSVDAQSA-N 2 0 337.508 2.057 10 0 EEAERP Cn1c(Cl)ncc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362894 1277198565 /nfs/dbraw/zinc/19/85/65/1277198565.db2.gz UEIQLPQCSMUYFX-UHFFFAOYSA-N 2 0 333.867 2.470 10 0 EEAERP COc1ccc([C@H](C)[NH2+][C@H]2CCNC2=O)cc1C[NH+]1CCCCC1 ZINC000850481883 1277241778 /nfs/dbraw/zinc/24/17/78/1277241778.db2.gz OHWPPEZEVPKYKK-YOEHRIQHSA-N 2 0 331.460 2.220 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000851645946 1277699387 /nfs/dbraw/zinc/69/93/87/1277699387.db2.gz PESNHZXATKJBBZ-SFHVURJKSA-N 2 0 329.444 2.160 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CC[C@@H]2CCCCO2)CCC1 ZINC001493107090 1277999382 /nfs/dbraw/zinc/99/93/82/1277999382.db2.gz JFNWMOVRLLFDND-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273610512 1281129472 /nfs/dbraw/zinc/12/94/72/1281129472.db2.gz OXPYYPBURZWVSO-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CCOCC2CCC2)CC1 ZINC001490425308 1291336524 /nfs/dbraw/zinc/33/65/24/1291336524.db2.gz QUUPKIZWGQMEKR-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001490579442 1291475175 /nfs/dbraw/zinc/47/51/75/1291475175.db2.gz QJDMYLTXDWFRJX-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCc1ccccc1)CC2 ZINC001490597884 1291499265 /nfs/dbraw/zinc/49/92/65/1291499265.db2.gz ATBKLIAIUPJYFV-GOSISDBHSA-N 2 0 329.488 2.152 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3cn[nH]c32)(N2CCCCC2)CC1 ZINC000857857429 1293932323 /nfs/dbraw/zinc/93/23/23/1293932323.db2.gz UEYWGLRWINXGBI-KRWDZBQOSA-N 2 0 331.508 2.327 10 0 EEAERP Cc1cccc([C@@H](C)[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549665 1296329073 /nfs/dbraw/zinc/32/90/73/1296329073.db2.gz OPNILDCPMAINDR-OLMNPRSZSA-N 2 0 329.444 2.313 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000863550054 1296329245 /nfs/dbraw/zinc/32/92/45/1296329245.db2.gz MWYCWOOPHVFYJX-DLBZAZTESA-N 2 0 347.484 2.036 10 0 EEAERP C[C@@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277187247 1301724645 /nfs/dbraw/zinc/72/46/45/1301724645.db2.gz SMFHWNIYNWGSAN-GXTWGEPZSA-N 2 0 335.414 2.155 10 0 EEAERP CON(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000799126996 1305163316 /nfs/dbraw/zinc/16/33/16/1305163316.db2.gz KHVCHXULSHRTKU-RBUKOAKNSA-N 2 0 345.487 2.383 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC001276398907 1314731019 /nfs/dbraw/zinc/73/10/19/1314731019.db2.gz FBWGMQZJGZMHPU-ZIAGYGMSSA-N 2 0 336.480 2.102 10 0 EEAERP [NH3+]CCc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000841890792 1315631210 /nfs/dbraw/zinc/63/12/10/1315631210.db2.gz QVERIHGVKNVSCA-UHFFFAOYSA-N 2 0 330.476 2.004 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841898567 1315632124 /nfs/dbraw/zinc/63/21/24/1315632124.db2.gz NWHZCNCRZIUTLL-IMFGXOCKSA-N 2 0 344.503 2.196 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001278704882 1317803041 /nfs/dbraw/zinc/80/30/41/1317803041.db2.gz UINBTSOIKXZKMD-KBPBESRZSA-N 2 0 337.430 2.355 10 0 EEAERP CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001264106361 1322623355 /nfs/dbraw/zinc/62/33/55/1322623355.db2.gz YTHUYIDHBRBPOB-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264122302 1322633856 /nfs/dbraw/zinc/63/38/56/1322633856.db2.gz KDEYLMZDBIQGID-QGZVFWFLSA-N 2 0 327.513 2.114 10 0 EEAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001264518744 1322722639 /nfs/dbraw/zinc/72/26/39/1322722639.db2.gz WKVCQVWLWPKXFZ-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1CC[NH2+]CCF ZINC001264520839 1322724368 /nfs/dbraw/zinc/72/43/68/1322724368.db2.gz QGKIWJCEQOENCZ-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)c1C ZINC001265030945 1322873005 /nfs/dbraw/zinc/87/30/05/1322873005.db2.gz QOVSBSDOOAKFFG-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccn1 ZINC001265137044 1322941532 /nfs/dbraw/zinc/94/15/32/1322941532.db2.gz MLVCSGBEHZNPCW-UHFFFAOYSA-N 2 0 332.492 2.142 10 0 EEAERP CCc1nocc1C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001265174746 1322966400 /nfs/dbraw/zinc/96/64/00/1322966400.db2.gz IRXOUJJODWRJLH-UHFFFAOYSA-N 2 0 348.491 2.050 10 0 EEAERP COCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265391129 1323120826 /nfs/dbraw/zinc/12/08/26/1323120826.db2.gz UIWVGVSQAXGTAF-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265399514 1323131283 /nfs/dbraw/zinc/13/12/83/1323131283.db2.gz YDYBBISVVNIDDK-KRWDZBQOSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOc3ccccc3)C2)CC[N@@H+]1C ZINC001265492302 1323181322 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DYPICWVPMCDSSJ-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1conc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001266231601 1323811235 /nfs/dbraw/zinc/81/12/35/1323811235.db2.gz MAIGJJQEKPAOEZ-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001280198007 1324110350 /nfs/dbraw/zinc/11/03/50/1324110350.db2.gz MRJOUOANMHFPBR-LPHOPBHVSA-N 2 0 347.503 2.364 10 0 EEAERP O=C(NC1CC(C[NH2+]CCC(F)(F)F)C1)C12CCC[NH+](CCC1)C2 ZINC001282013773 1325570008 /nfs/dbraw/zinc/57/00/08/1325570008.db2.gz JXVNYBWOCRDUDB-UHFFFAOYSA-N 2 0 347.425 2.299 10 0 EEAERP O=C(NC1CC(C[NH2+]C/C=C/Cl)C1)C1CC[NH+](CC2CC2)CC1 ZINC001282066771 1325607001 /nfs/dbraw/zinc/60/70/01/1325607001.db2.gz QLJVQCMLVLNRFN-LZCJLJQNSA-N 2 0 339.911 2.345 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001283192893 1325951115 /nfs/dbraw/zinc/95/11/15/1325951115.db2.gz WCGDFEYNWPXEFL-AEFFLSMTSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1)c1ncccn1 ZINC001283248114 1325970386 /nfs/dbraw/zinc/97/03/86/1325970386.db2.gz KSAMKAIWRHCHOE-JKSUJKDBSA-N 2 0 347.507 2.144 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027332 1326369244 /nfs/dbraw/zinc/36/92/44/1326369244.db2.gz UNVSMQZTHURGTL-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCc2ccccc2)C(C)(C)C)C1 ZINC001284653495 1326647641 /nfs/dbraw/zinc/64/76/41/1326647641.db2.gz SPQDPHLHSBGYEQ-MSOLQXFVSA-N 2 0 331.504 2.301 10 0 EEAERP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284826807 1326731693 /nfs/dbraw/zinc/73/16/93/1326731693.db2.gz HNUVAUHATWJJNF-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCCc1ccccc1 ZINC001491654291 1330184690 /nfs/dbraw/zinc/18/46/90/1330184690.db2.gz JZIOIGYZCGQXCM-PXNSSMCTSA-N 2 0 329.488 2.199 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491791046 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2 0 349.523 2.075 10 0 EEAERP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865302 1331774118 /nfs/dbraw/zinc/77/41/18/1331774118.db2.gz IMJTWKIWOPSUJT-KGLIPLIRSA-N 2 0 339.430 2.416 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1CCC[NH2+]CCF ZINC001316712633 1331858925 /nfs/dbraw/zinc/85/89/25/1331858925.db2.gz SLSAGSAVWSDJKA-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001316796538 1331897504 /nfs/dbraw/zinc/89/75/04/1331897504.db2.gz MRDKTWRMPVOZPR-IKGGRYGDSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316880485 1331947404 /nfs/dbraw/zinc/94/74/04/1331947404.db2.gz PNIBWRYTLQQGEB-IRXDYDNUSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882112 1331948988 /nfs/dbraw/zinc/94/89/88/1331948988.db2.gz XLYPPYRPLXIFKA-HKUYNNGSSA-N 2 0 347.503 2.376 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001317120320 1332086829 /nfs/dbraw/zinc/08/68/29/1332086829.db2.gz AUNLDSNXPLMJMH-XWTMOSNGSA-N 2 0 337.508 2.057 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001317161140 1332105820 /nfs/dbraw/zinc/10/58/20/1332105820.db2.gz AEAHPCPNFQXVCF-HZPDHXFCSA-N 2 0 335.517 2.071 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317164709 1332107462 /nfs/dbraw/zinc/10/74/62/1332107462.db2.gz ZNOBZGUFVLKZTA-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1CCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001317421549 1332225405 /nfs/dbraw/zinc/22/54/05/1332225405.db2.gz DEFSNZWGYIEGTD-DLBZAZTESA-N 2 0 325.472 2.049 10 0 EEAERP CN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317599078 1332318489 /nfs/dbraw/zinc/31/84/89/1332318489.db2.gz ZSXKPHIGCVPZHN-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001317599130 1332318553 /nfs/dbraw/zinc/31/85/53/1332318553.db2.gz WTPMQUYUURLBGJ-CABCVRRESA-N 2 0 333.467 2.446 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCc2ccccc21)[NH+](C)C ZINC001317599335 1332318874 /nfs/dbraw/zinc/31/88/74/1332318874.db2.gz RQDFIRFNKXXNDY-PKOBYXMFSA-N 2 0 331.504 2.495 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1F ZINC001317670861 1332362375 /nfs/dbraw/zinc/36/23/75/1332362375.db2.gz XYOVKEJPKRJXDK-KBPBESRZSA-N 2 0 339.430 2.386 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317936004 1332446913 /nfs/dbraw/zinc/44/69/13/1332446913.db2.gz OOMOIHRZZNLQEL-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[NH2+]C[C@@]1(NC(=O)c2ccn(CC[NH+](C)C)n2)CCCC[C@@H]1C ZINC001318745518 1332587664 /nfs/dbraw/zinc/58/76/64/1332587664.db2.gz OAHSTCLHIYDNKA-LPHOPBHVSA-N 2 0 349.523 2.123 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318852551 1332611698 /nfs/dbraw/zinc/61/16/98/1332611698.db2.gz WIUFBDRFHYHLEW-JKSUJKDBSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C/C=C\c1ccccc1 ZINC001319237642 1332669423 /nfs/dbraw/zinc/66/94/23/1332669423.db2.gz GASVFCRBFDIACX-SKHCZCESSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)C[NH+]1CCCC1 ZINC001319572868 1332722941 /nfs/dbraw/zinc/72/29/41/1332722941.db2.gz FHOVECVCSISUTA-AWEZNQCLSA-N 2 0 339.430 2.040 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001319667332 1332737510 /nfs/dbraw/zinc/73/75/10/1332737510.db2.gz FEHRMRMVEIWSIW-WBVHZDCISA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cncs1 ZINC001319715844 1332749402 /nfs/dbraw/zinc/74/94/02/1332749402.db2.gz SCWZKDCGIAKAIQ-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001319791309 1332769312 /nfs/dbraw/zinc/76/93/12/1332769312.db2.gz LDHJCNKYDHBTBQ-RTBURBONSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCc1cccs1 ZINC001319860595 1332786569 /nfs/dbraw/zinc/78/65/69/1332786569.db2.gz GYORHFYVLAYROC-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001320422454 1332880012 /nfs/dbraw/zinc/88/00/12/1332880012.db2.gz QFAVEQHFBMYBNK-AYOQOUSVSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320547969 1332907724 /nfs/dbraw/zinc/90/77/24/1332907724.db2.gz IGOAJNNOIATHAQ-JKSUJKDBSA-N 2 0 345.487 2.043 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001320623468 1332923509 /nfs/dbraw/zinc/92/35/09/1332923509.db2.gz UAVGXOGZYWWTNY-KUHUBIRLSA-N 2 0 348.491 2.016 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001320890431 1332972835 /nfs/dbraw/zinc/97/28/35/1332972835.db2.gz YMWQXXQIQWXYNI-UHFFFAOYSA-N 2 0 344.503 2.142 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001321250000 1333055329 /nfs/dbraw/zinc/05/53/29/1333055329.db2.gz NCSGMUIKWTXYNB-CHYADLBTSA-N 2 0 329.488 2.407 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F)C12CC[NH+](CC1)C2 ZINC001321338833 1333078632 /nfs/dbraw/zinc/07/86/32/1333078632.db2.gz UOSQCWXKLITARU-DJYNDVHFSA-N 2 0 341.446 2.170 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cc2ccccc2o1 ZINC001321404466 1333096130 /nfs/dbraw/zinc/09/61/30/1333096130.db2.gz QOOJDCFUSRUVEE-ONEGZZNKSA-N 2 0 327.428 2.291 10 0 EEAERP CN(CCC[NH2+]Cc1nc2ccccc2o1)C(=O)C[N@H+](C)C1CCC1 ZINC001322544008 1333279840 /nfs/dbraw/zinc/27/98/40/1333279840.db2.gz RNGKOVBOTRUJFB-UHFFFAOYSA-N 2 0 344.459 2.250 10 0 EEAERP C[C@H]1C[C@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001322640909 1333299560 /nfs/dbraw/zinc/29/95/60/1333299560.db2.gz LWFLMJVXTYRLEO-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001322756816 1333320970 /nfs/dbraw/zinc/32/09/70/1333320970.db2.gz NPDDLENMPFWHJH-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)cn1 ZINC001324261448 1333644867 /nfs/dbraw/zinc/64/48/67/1333644867.db2.gz QYLRSLFBFMFMMV-SJORKVTESA-N 2 0 347.507 2.159 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919317 1333995541 /nfs/dbraw/zinc/99/55/41/1333995541.db2.gz HTWDTNXJJVWKOC-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001326363063 1334076478 /nfs/dbraw/zinc/07/64/78/1334076478.db2.gz DYJJNHRRASFWFK-QGZVFWFLSA-N 2 0 346.519 2.388 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326410552 1334086889 /nfs/dbraw/zinc/08/68/89/1334086889.db2.gz ACPWLDAZZMBBEM-WOJBJXKFSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001326429678 1334092416 /nfs/dbraw/zinc/09/24/16/1334092416.db2.gz GVXMQXRWKBIVSS-HZPDHXFCSA-N 2 0 348.491 2.078 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001326436017 1334093427 /nfs/dbraw/zinc/09/34/27/1334093427.db2.gz AXFHNRNYLGBLNN-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP O=C(N1CCO[C@H](C[NH2+]CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001327006283 1334201323 /nfs/dbraw/zinc/20/13/23/1334201323.db2.gz WNWPUNMDSOALTB-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001327904899 1334362059 /nfs/dbraw/zinc/36/20/59/1334362059.db2.gz SMXWZCJWAXBOSL-HIFRSBDPSA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001327925334 1334365008 /nfs/dbraw/zinc/36/50/08/1334365008.db2.gz NZQXTBDIABVRCJ-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001327941692 1334367455 /nfs/dbraw/zinc/36/74/55/1334367455.db2.gz SINGQXFELPIMOR-WMZOPIPTSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330766471 1334898189 /nfs/dbraw/zinc/89/81/89/1334898189.db2.gz AAXYWVDWHQLJAR-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001332339848 1335806040 /nfs/dbraw/zinc/80/60/40/1335806040.db2.gz ISQVRRBLJYOIMN-COXDATCZSA-N 2 0 327.900 2.489 10 0 EEAERP CCc1ccccc1CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001333389337 1336029201 /nfs/dbraw/zinc/02/92/01/1336029201.db2.gz APTLSUHOPQKZTD-UHFFFAOYSA-N 2 0 343.515 2.492 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc([C@@H](N)c2ccccc2)no1 ZINC001335837078 1336435228 /nfs/dbraw/zinc/43/52/28/1336435228.db2.gz ORLGRRVPXLPBIS-SJORKVTESA-N 2 0 337.427 2.250 10 0 EEAERP COc1cccc([C@@H](C)[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001500289301 1342136632 /nfs/dbraw/zinc/13/66/32/1342136632.db2.gz HVSKTRXBQJTQGX-UZLBHIALSA-N 2 0 345.487 2.433 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001500291745 1342139322 /nfs/dbraw/zinc/13/93/22/1342139322.db2.gz CVFJKEZUMFKWBV-HXUWFJFHSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500392583 1342185224 /nfs/dbraw/zinc/18/52/24/1342185224.db2.gz FFQKGPDJIJZGQC-LJQANCHMSA-N 2 0 333.520 2.491 10 0 EEAERP CC(C)[NH+]1CCN(CCCN2CC[N@H+](C3CCCC3)[C@H](C)C2)CC1 ZINC001560145879 1342508123 /nfs/dbraw/zinc/50/81/23/1342508123.db2.gz VJCWWPIISDHISJ-LJQANCHMSA-N 2 0 336.568 2.351 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001565828938 1342564683 /nfs/dbraw/zinc/56/46/83/1342564683.db2.gz UOCNFGMAAQAXLV-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001565828937 1342564939 /nfs/dbraw/zinc/56/49/39/1342564939.db2.gz UOCNFGMAAQAXLV-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCc2cccc(F)c2)C1 ZINC001567139354 1342700637 /nfs/dbraw/zinc/70/06/37/1342700637.db2.gz ZRSXCWOEMSCKFZ-QGZVFWFLSA-N 2 0 335.467 2.148 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1ccccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001676005186 1357086699 /nfs/dbraw/zinc/08/66/99/1357086699.db2.gz JHDVQSUQEAGLLL-INIZCTEOSA-N 2 0 347.478 2.339 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001569730770 1342935884 /nfs/dbraw/zinc/93/58/84/1342935884.db2.gz SZUQHQYZIUGFIM-QZTJIDSGSA-N 2 0 349.519 2.225 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC001569916292 1342976430 /nfs/dbraw/zinc/97/64/30/1342976430.db2.gz YJZHORNLYQOXOQ-RTBURBONSA-N 2 0 344.503 2.379 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001569998072 1342993987 /nfs/dbraw/zinc/99/39/87/1342993987.db2.gz GXXIXWXHDOZJDJ-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001570626548 1343093669 /nfs/dbraw/zinc/09/36/69/1343093669.db2.gz FEXRMIWLUZQQMH-STQMWFEESA-N 2 0 326.872 2.060 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676768008 1357196850 /nfs/dbraw/zinc/19/68/50/1357196850.db2.gz RRTIEOJACHDUFR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@H+](C)CCN(C(=O)c1cccc2nccn21)C(C)C ZINC001677204667 1357294711 /nfs/dbraw/zinc/29/47/11/1357294711.db2.gz CSNVMQNOHFINOY-UHFFFAOYSA-N 2 0 332.448 2.153 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001656293757 1354221316 /nfs/dbraw/zinc/22/13/16/1354221316.db2.gz SCBUGDNESZOEID-JQHSSLGASA-N 2 0 339.499 2.343 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001656446801 1354237708 /nfs/dbraw/zinc/23/77/08/1354237708.db2.gz CSZLKRBICSNEAV-YJBOKZPZSA-N 2 0 348.491 2.123 10 0 EEAERP C[C@H](C(=O)NCCC[N@H+](C)Cc1cncs1)[NH+]1CCCCCC1 ZINC001660321344 1354439325 /nfs/dbraw/zinc/43/93/25/1354439325.db2.gz GJPLWRQZJFDOQD-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1ccccn1)C1CC1 ZINC001660752615 1354531647 /nfs/dbraw/zinc/53/16/47/1354531647.db2.gz DAOSWRYFWZSSOK-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](CCCCCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001661003805 1354571785 /nfs/dbraw/zinc/57/17/85/1354571785.db2.gz GVRCUHIXSDWVLF-OAHLLOKOSA-N 2 0 345.422 2.211 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001661947596 1354727338 /nfs/dbraw/zinc/72/73/38/1354727338.db2.gz WPWUDCGTZNWJRO-AWEZNQCLSA-N 2 0 335.414 2.251 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001661972434 1354731301 /nfs/dbraw/zinc/73/13/01/1354731301.db2.gz VXRGRIVFUKBHOL-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCF)C1 ZINC001662018440 1354742644 /nfs/dbraw/zinc/74/26/44/1354742644.db2.gz STYDGRVQHSLXFN-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@H](C(=O)NC1CCC([NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001662127250 1354753258 /nfs/dbraw/zinc/75/32/58/1354753258.db2.gz ZKKFRKCEGNPIQT-LEOMRAHMSA-N 2 0 339.524 2.159 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001662729005 1354833086 /nfs/dbraw/zinc/83/30/86/1354833086.db2.gz URJMFTBMEKHIEC-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001662766320 1354841106 /nfs/dbraw/zinc/84/11/06/1354841106.db2.gz ICXOCZXUFJOSFV-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001662772420 1354842718 /nfs/dbraw/zinc/84/27/18/1354842718.db2.gz GPZQZYQMFBLTJJ-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931515 1355056562 /nfs/dbraw/zinc/05/65/62/1355056562.db2.gz LJPIOYUZAJMYCN-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC/C=C/c2ccccc2)CC[N@@H+]1C ZINC001663942854 1355057638 /nfs/dbraw/zinc/05/76/38/1355057638.db2.gz ZQXSEAQWGFANMT-FVDXIBTGSA-N 2 0 329.488 2.478 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001664268793 1355126904 /nfs/dbraw/zinc/12/69/04/1355126904.db2.gz VHUHDRDJHDKPGP-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001666172654 1355475826 /nfs/dbraw/zinc/47/58/26/1355475826.db2.gz KSQRGCXLBDAXHF-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCc1cccs1)C12CCC[NH+]1CCC2 ZINC001666434786 1355526909 /nfs/dbraw/zinc/52/69/09/1355526909.db2.gz ICCMITMZZRUYRZ-MRXNPFEDSA-N 2 0 347.528 2.500 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001668308635 1355920322 /nfs/dbraw/zinc/92/03/22/1355920322.db2.gz AOIDUXKEZABCAT-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668426257 1355938963 /nfs/dbraw/zinc/93/89/63/1355938963.db2.gz DUPQGLNAMDFFKW-QGZVFWFLSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001668834150 1356016372 /nfs/dbraw/zinc/01/63/72/1356016372.db2.gz RVZMLLFJFRIVEX-PRXHZCDDSA-N 2 0 337.414 2.067 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001669182855 1356118998 /nfs/dbraw/zinc/11/89/98/1356118998.db2.gz ISHJNZGGGULZEO-QWNKOJSDSA-N 2 0 329.488 2.326 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001669207892 1356125724 /nfs/dbraw/zinc/12/57/24/1356125724.db2.gz PZUWAKQKDUZOSM-QWNKOJSDSA-N 2 0 348.491 2.256 10 0 EEAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)c1sccc1C[NH+](C)C ZINC001669308644 1356143309 /nfs/dbraw/zinc/14/33/09/1356143309.db2.gz YVMWFRQFRYVKOQ-SNVBAGLBSA-N 2 0 337.411 2.470 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+][C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001670099830 1356275349 /nfs/dbraw/zinc/27/53/49/1356275349.db2.gz FYIHOMGRQYXUAX-SZVBFZGTSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c(C)n1 ZINC001670130625 1356281860 /nfs/dbraw/zinc/28/18/60/1356281860.db2.gz OAXVLGKVXIVHGY-IAGOWNOFSA-N 2 0 341.459 2.163 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCCC(F)(F)F)C1 ZINC001671626030 1356377158 /nfs/dbraw/zinc/37/71/58/1356377158.db2.gz URUQQQGNTCONCR-DZGCQCFKSA-N 2 0 335.414 2.394 10 0 EEAERP CC(C)OCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001671784084 1356414025 /nfs/dbraw/zinc/41/40/25/1356414025.db2.gz CHEXEISYGLEWOM-LJQANCHMSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001672805252 1356588616 /nfs/dbraw/zinc/58/86/16/1356588616.db2.gz LKJIKQYPRJZEGX-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001698860145 1405117134 /nfs/dbraw/zinc/11/71/34/1405117134.db2.gz MQBDAAHNQWIRJR-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001698862501 1405118025 /nfs/dbraw/zinc/11/80/25/1405118025.db2.gz ZJFGPIXATCQBNF-STQMWFEESA-N 2 0 338.323 2.347 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698862500 1405118371 /nfs/dbraw/zinc/11/83/71/1405118371.db2.gz ZJFGPIXATCQBNF-QWHCGFSZSA-N 2 0 338.323 2.347 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001699113042 1405268751 /nfs/dbraw/zinc/26/87/51/1405268751.db2.gz MIZDSMRQRPGLPR-CYBMUJFWSA-N 2 0 336.505 2.064 10 0 EEAERP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001699279238 1405310875 /nfs/dbraw/zinc/31/08/75/1405310875.db2.gz WQSIZJPMBRCFME-MJSXRHKHSA-N 2 0 330.476 2.144 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(Cl)nc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441128 1405355291 /nfs/dbraw/zinc/35/52/91/1405355291.db2.gz JNBXMAFIIKHLRH-UMVBOHGHSA-N 2 0 338.883 2.012 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001699533237 1405374782 /nfs/dbraw/zinc/37/47/82/1405374782.db2.gz GYSVUGBIPDVFJS-UHFFFAOYSA-N 2 0 340.537 2.368 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001699577494 1405402662 /nfs/dbraw/zinc/40/26/62/1405402662.db2.gz UBLMCSOTJCAUJX-HOCLYGCPSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001699762260 1405472119 /nfs/dbraw/zinc/47/21/19/1405472119.db2.gz OWCHGAZRQJFGBF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCNC(=S)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000840820281 783019145 /nfs/dbraw/zinc/01/91/45/783019145.db2.gz GZUOBIXHUPVCKG-UHFFFAOYSA-N 2 0 328.570 2.255 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000921432032 773368780 /nfs/dbraw/zinc/36/87/80/773368780.db2.gz FJXUMZPVDMXTNK-BURFUSLBSA-N 2 0 330.476 2.041 10 0 EEAERP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC000169782631 790575491 /nfs/dbraw/zinc/57/54/91/790575491.db2.gz XXBRNCARSSEDQM-KRWDZBQOSA-N 2 0 348.487 2.494 10 0 EEAERP CN(CCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000705975221 784912937 /nfs/dbraw/zinc/91/29/37/784912937.db2.gz KXRJWNNGRBVIKB-CVEARBPZSA-N 2 0 341.496 2.086 10 0 EEAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC000818178929 785206086 /nfs/dbraw/zinc/20/60/86/785206086.db2.gz VNORQIPTDNUUHS-ZWKOTPCHSA-N 2 0 325.472 2.143 10 0 EEAERP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711360045 788765871 /nfs/dbraw/zinc/76/58/71/788765871.db2.gz LOLGYWUQVUEXDM-ZWKOTPCHSA-N 2 0 329.488 2.260 10 0 EEAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170583 788884324 /nfs/dbraw/zinc/88/43/24/788884324.db2.gz KCVRLSBGOKPUHS-KZNAEPCWSA-N 2 0 337.508 2.044 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H]3OCCN(CC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000844401581 789069020 /nfs/dbraw/zinc/06/90/20/789069020.db2.gz MXYILVFLIDRXDZ-UXHICEINSA-N 2 0 329.488 2.058 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000923431953 789543044 /nfs/dbraw/zinc/54/30/44/789543044.db2.gz UDKQPGJIWLTTSK-MGPQQGTHSA-N 2 0 346.393 2.362 10 0 EEAERP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451740 789584108 /nfs/dbraw/zinc/58/41/08/789584108.db2.gz CLMFYDNCHVZOFO-GDBMZVCRSA-N 2 0 349.450 2.291 10 0 EEAERP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1F ZINC000923452536 789585163 /nfs/dbraw/zinc/58/51/63/789585163.db2.gz HJJHYTLGIYOWSP-GOEBONIOSA-N 2 0 349.450 2.291 10 0 EEAERP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495548 789652404 /nfs/dbraw/zinc/65/24/04/789652404.db2.gz CDQJDXHGGWPWRS-KFWWJZLASA-N 2 0 326.444 2.479 10 0 EEAERP C[C@@H]1CN(CC(=O)N2CC[C@H](C)Sc3ccccc32)C[C@H]1C[NH3+] ZINC000923513222 789715119 /nfs/dbraw/zinc/71/51/19/789715119.db2.gz IMRGGKVGNYOAOR-QLFBSQMISA-N 2 0 333.501 2.431 10 0 EEAERP CC[N@H+](CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000846177710 790079412 /nfs/dbraw/zinc/07/94/12/790079412.db2.gz QGEQVSPBEINXLA-HNNXBMFYSA-N 2 0 346.466 2.328 10 0 EEAERP Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903439933 794431392 /nfs/dbraw/zinc/43/13/92/794431392.db2.gz QTJONKQHBUXKRA-KURKYZTESA-N 2 0 345.487 2.034 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922517360 801207476 /nfs/dbraw/zinc/20/74/76/801207476.db2.gz LCJZFVKITYHLQU-RDJZCZTQSA-N 2 0 335.496 2.102 10 0 EEAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCOCC1 ZINC000922743932 801811993 /nfs/dbraw/zinc/81/19/93/801811993.db2.gz AAWPMISUZUYPMM-MJGOQNOKSA-N 2 0 331.504 2.207 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001566002214 1125496223 /nfs/dbraw/zinc/49/62/23/1125496223.db2.gz UKNJWNXRWZAONN-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1cnc([C@@H](C)N(C)CCCNC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001566490720 1125654535 /nfs/dbraw/zinc/65/45/35/1125654535.db2.gz BBHXWHLAWSKZKK-OAHLLOKOSA-N 2 0 338.496 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001436474322 1087941107 /nfs/dbraw/zinc/94/11/07/1087941107.db2.gz GKNRRMBENGGCRD-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC1(C)C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCF)C1 ZINC001436499978 1088023953 /nfs/dbraw/zinc/02/39/53/1088023953.db2.gz OKJWUMYBGJRIEF-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001436872046 1088523576 /nfs/dbraw/zinc/52/35/76/1088523576.db2.gz NTKBJIZRPNHOIU-WBVHZDCISA-N 2 0 333.476 2.289 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](Cc3cccnc3)CC[C@H]21 ZINC001436946981 1088630209 /nfs/dbraw/zinc/63/02/09/1088630209.db2.gz VABDVTDAWAGNHH-RBUKOAKNSA-N 2 0 344.503 2.235 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1)[NH+](C)C ZINC001437029685 1088839575 /nfs/dbraw/zinc/83/95/75/1088839575.db2.gz BFLFKTMTINRJPA-GUDVDZBRSA-N 2 0 347.503 2.031 10 0 EEAERP CCc1nocc1C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001437327866 1089500654 /nfs/dbraw/zinc/50/06/54/1089500654.db2.gz VXDMWZNFFGOUHB-CVEARBPZSA-N 2 0 336.480 2.094 10 0 EEAERP Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001437786652 1090373002 /nfs/dbraw/zinc/37/30/02/1090373002.db2.gz SFQCHYUDHSOVCH-HXUWFJFHSA-N 2 0 341.499 2.417 10 0 EEAERP Cc1ccc(C[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001437817911 1090411171 /nfs/dbraw/zinc/41/11/71/1090411171.db2.gz URNJUHHAPRGTTL-SFHVURJKSA-N 2 0 329.488 2.417 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](C[C@@H]2CCC(F)(F)C2)C2CC2)C1 ZINC001437818568 1090412333 /nfs/dbraw/zinc/41/23/33/1090412333.db2.gz VMNKLGKJMZWVFR-LSDHHAIUSA-N 2 0 343.462 2.344 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001437944395 1090540076 /nfs/dbraw/zinc/54/00/76/1090540076.db2.gz HMHCHXGTUOLFLL-HZPDHXFCSA-N 2 0 335.517 2.071 10 0 EEAERP C[NH+](C)CCC(=O)NCC1C[NH+](C/C=C\c2ccc(Cl)cc2)C1 ZINC001438135306 1090659311 /nfs/dbraw/zinc/65/93/11/1090659311.db2.gz QRKKKISCOLDVTE-ARJAWSKDSA-N 2 0 335.879 2.353 10 0 EEAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001438142020 1090664261 /nfs/dbraw/zinc/66/42/61/1090664261.db2.gz FXGTZOGZKLYMCW-KDOFPFPSSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001438304139 1090782923 /nfs/dbraw/zinc/78/29/23/1090782923.db2.gz MLHRDGPKIMOPMF-ROUUACIJSA-N 2 0 347.478 2.194 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001438341641 1090817818 /nfs/dbraw/zinc/81/78/18/1090817818.db2.gz LJQMROVJIOMCAR-RTBURBONSA-N 2 0 345.487 2.186 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001438661998 1091150441 /nfs/dbraw/zinc/15/04/41/1091150441.db2.gz JSOGXKXBISUKBD-MRXNPFEDSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438707381 1091218824 /nfs/dbraw/zinc/21/88/24/1091218824.db2.gz FKDWWLWFOUYRKZ-DLBZAZTESA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438707386 1091219060 /nfs/dbraw/zinc/21/90/60/1091219060.db2.gz FKDWWLWFOUYRKZ-IRXDYDNUSA-N 2 0 346.519 2.031 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1C ZINC001445498772 1091276721 /nfs/dbraw/zinc/27/67/21/1091276721.db2.gz IGFGYEHKSQXYHP-QAPCUYQASA-N 2 0 347.503 2.472 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c(C)s1 ZINC001438775654 1091366598 /nfs/dbraw/zinc/36/65/98/1091366598.db2.gz QAXZLNZBMZFIPK-DOMZBBRYSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438834838 1091460062 /nfs/dbraw/zinc/46/00/62/1091460062.db2.gz KEGXONYNCMDJCX-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@H](C[NH2+]Cc1nsc2ccccc12)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439127062 1091771240 /nfs/dbraw/zinc/77/12/40/1091771240.db2.gz GJVLRFMUBLMGGX-CZUORRHYSA-N 2 0 346.500 2.375 10 0 EEAERP CCCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001439132857 1091776587 /nfs/dbraw/zinc/77/65/87/1091776587.db2.gz WSBLEDYXEWAUII-HIFRSBDPSA-N 2 0 336.480 2.014 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1c(Cl)cccc1OC)[NH+](C)C ZINC001439274912 1091932103 /nfs/dbraw/zinc/93/21/03/1091932103.db2.gz KJOMPFWLNLPAMB-SWLSCSKDSA-N 2 0 341.883 2.283 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1nc2ccccc2o1)C1CC1)[NH+](C)C ZINC001445993119 1091965705 /nfs/dbraw/zinc/96/57/05/1091965705.db2.gz QNKYGNXNEQDWEM-HZPDHXFCSA-N 2 0 344.459 2.152 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC001446017097 1092001085 /nfs/dbraw/zinc/00/10/85/1092001085.db2.gz SBCKOXYHGPAEIZ-CVEARBPZSA-N 2 0 336.480 2.040 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001439395924 1092147318 /nfs/dbraw/zinc/14/73/18/1092147318.db2.gz KACDJCPGBYWGMM-HNNXBMFYSA-N 2 0 330.476 2.446 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC001446228517 1092337332 /nfs/dbraw/zinc/33/73/32/1092337332.db2.gz JZDZOCPDYAMGFO-GFCCVEGCSA-N 2 0 325.403 2.216 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001439812445 1092782434 /nfs/dbraw/zinc/78/24/34/1092782434.db2.gz DWMLEKKOQPCLEK-ROUUACIJSA-N 2 0 348.491 2.232 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+](CCOC)C2)C1 ZINC001439828236 1092818069 /nfs/dbraw/zinc/81/80/69/1092818069.db2.gz KDFOPOXMFAZYBP-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001440269040 1093380791 /nfs/dbraw/zinc/38/07/91/1093380791.db2.gz VFDKMJWLUIELSL-RTBURBONSA-N 2 0 329.488 2.370 10 0 EEAERP CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001448478298 1093497308 /nfs/dbraw/zinc/49/73/08/1093497308.db2.gz JRTNSPOLZOWXLN-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)o1 ZINC001448510889 1093536526 /nfs/dbraw/zinc/53/65/26/1093536526.db2.gz OXFNQQBNNYOMKO-YHUYYLMFSA-N 2 0 336.480 2.115 10 0 EEAERP CCO[C@@H](C[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)C1CC1 ZINC001448539984 1093577637 /nfs/dbraw/zinc/57/76/37/1093577637.db2.gz WHZJIRSVAITTTG-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001440408144 1093600725 /nfs/dbraw/zinc/60/07/25/1093600725.db2.gz YPNZAEKNTZDKAX-JQHSSLGASA-N 2 0 332.492 2.042 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001440481715 1093714882 /nfs/dbraw/zinc/71/48/82/1093714882.db2.gz LNMBXUHQUCXXTE-SJLPKXTDSA-N 2 0 347.503 2.488 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC2(C[NH+](CC3CCCCC3)C2)O1 ZINC001440514428 1093762669 /nfs/dbraw/zinc/76/26/69/1093762669.db2.gz MLVQFOCIHRNHBR-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001440535850 1093799553 /nfs/dbraw/zinc/79/95/53/1093799553.db2.gz CFKZVNZMPJAROW-QGZVFWFLSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001440539629 1093805811 /nfs/dbraw/zinc/80/58/11/1093805811.db2.gz SCIMPMQDOJIEGG-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnoc3C)[C@@H]2C1 ZINC001449026397 1094034451 /nfs/dbraw/zinc/03/44/51/1094034451.db2.gz BHARVMFWJDNMMS-JQHSSLGASA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001440844154 1094101812 /nfs/dbraw/zinc/10/18/12/1094101812.db2.gz VYOFQNPBAIAHPA-HOTGVXAUSA-N 2 0 349.519 2.140 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)s1 ZINC001449324631 1094276485 /nfs/dbraw/zinc/27/64/85/1094276485.db2.gz MTDMKZVHUJKLDH-HNNXBMFYSA-N 2 0 340.537 2.412 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC(C)C)C1 ZINC001449364808 1094330577 /nfs/dbraw/zinc/33/05/77/1094330577.db2.gz FSOITGIHEOZZBY-KBPBESRZSA-N 2 0 337.430 2.353 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001441227180 1094602065 /nfs/dbraw/zinc/60/20/65/1094602065.db2.gz QIFYQBLVFOJKQB-WCQYABFASA-N 2 0 334.291 2.132 10 0 EEAERP CC(C)(C(=O)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12)[NH+]1CCCCC1 ZINC001441262521 1094669213 /nfs/dbraw/zinc/66/92/13/1094669213.db2.gz CTBYZHZXCLWKMG-XGJYMRIXSA-N 2 0 339.911 2.297 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001441338490 1094823643 /nfs/dbraw/zinc/82/36/43/1094823643.db2.gz JIULIXWYASPKGX-OKZBNKHCSA-N 2 0 339.499 2.439 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC001441441360 1095062862 /nfs/dbraw/zinc/06/28/62/1095062862.db2.gz XVUYUJPDJCBILK-IRXDYDNUSA-N 2 0 335.517 2.477 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001441534942 1095247526 /nfs/dbraw/zinc/24/75/26/1095247526.db2.gz IXXMWTUVMHOLSC-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001441565994 1095323433 /nfs/dbraw/zinc/32/34/33/1095323433.db2.gz MDWRCICXELLFLL-KGLIPLIRSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001441606933 1095463438 /nfs/dbraw/zinc/46/34/38/1095463438.db2.gz YGMAULQEYCSKPN-CYBMUJFWSA-N 2 0 326.510 2.058 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001441629191 1095510111 /nfs/dbraw/zinc/51/01/11/1095510111.db2.gz SMUJENBFVQDCBS-RHSMWYFYSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001441652098 1095607010 /nfs/dbraw/zinc/60/70/10/1095607010.db2.gz FFDOJSOOJUGYEF-HNAYVOBHSA-N 2 0 329.488 2.064 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC001441687968 1095671383 /nfs/dbraw/zinc/67/13/83/1095671383.db2.gz UKYUZQQOYQLJAH-IRXDYDNUSA-N 2 0 332.492 2.139 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001441855062 1095949466 /nfs/dbraw/zinc/94/94/66/1095949466.db2.gz GFPOPJIXFMKTPV-JCGIZDLHSA-N 2 0 332.492 2.023 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001441876049 1095995284 /nfs/dbraw/zinc/99/52/84/1095995284.db2.gz YMBMABCETLLGMN-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001441878210 1096002113 /nfs/dbraw/zinc/00/21/13/1096002113.db2.gz RMCAJTPQIDSCJH-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001442136390 1096380987 /nfs/dbraw/zinc/38/09/87/1096380987.db2.gz DKWGREGMRYJLDI-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnoc2C)C1)[NH+](CC)CC ZINC001442157023 1096411749 /nfs/dbraw/zinc/41/17/49/1096411749.db2.gz QYPUHUQLQMTLNX-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001442196623 1096475035 /nfs/dbraw/zinc/47/50/35/1096475035.db2.gz FJMRLZJKAIASFE-JKSUJKDBSA-N 2 0 336.480 2.232 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001442219459 1096514052 /nfs/dbraw/zinc/51/40/52/1096514052.db2.gz AFTPETLLRNSTAP-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@H]1CCCC1(F)F ZINC001442483994 1096819308 /nfs/dbraw/zinc/81/93/08/1096819308.db2.gz CZWCZZRVVKBZDT-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001442577574 1096940593 /nfs/dbraw/zinc/94/05/93/1096940593.db2.gz QJOMZGMPEXMYJR-UHFFFAOYSA-N 2 0 329.488 2.071 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC[C@@H](C)F ZINC001442721735 1097094879 /nfs/dbraw/zinc/09/48/79/1097094879.db2.gz SIGMACKJXFQXHX-RHSMWYFYSA-N 2 0 333.467 2.385 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001442950517 1097365529 /nfs/dbraw/zinc/36/55/29/1097365529.db2.gz KGLOOLKDENELDJ-FGTMMUONSA-N 2 0 333.520 2.347 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(C[N@H+](C)CCF)CC2)C1 ZINC001443370672 1097892007 /nfs/dbraw/zinc/89/20/07/1097892007.db2.gz LMDKIMKSWAOXHC-DLBZAZTESA-N 2 0 327.488 2.247 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001443629195 1098124045 /nfs/dbraw/zinc/12/40/45/1098124045.db2.gz NARPBCYFSYRPOT-AUUYWEPGSA-N 2 0 345.462 2.203 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001479475465 1098557685 /nfs/dbraw/zinc/55/76/85/1098557685.db2.gz PUZSDMHPGIJDQA-XJKSGUPXSA-N 2 0 339.430 2.291 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC)CC[C@H]1c1ccc(OC)cc1 ZINC001479627149 1098652604 /nfs/dbraw/zinc/65/26/04/1098652604.db2.gz SUCAFJSCOVEDAN-OALUTQOASA-N 2 0 347.503 2.331 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cc(C)no1 ZINC001479637666 1098666394 /nfs/dbraw/zinc/66/63/94/1098666394.db2.gz YWBLOFOIQLSERU-BPQIPLTHSA-N 2 0 348.491 2.327 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOCC2CC2)C1)[NH+](C)C ZINC001479688061 1098748667 /nfs/dbraw/zinc/74/86/67/1098748667.db2.gz ONNHZCBPXFRZSC-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCOc1ccccc1 ZINC001479699602 1098772305 /nfs/dbraw/zinc/77/23/05/1098772305.db2.gz OEGFQZAXIHYIIL-NZSAHSFTSA-N 2 0 345.487 2.129 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001444222421 1098781680 /nfs/dbraw/zinc/78/16/80/1098781680.db2.gz NGGFWLIAAVKVMZ-NVXWUHKLSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccn1 ZINC001479708319 1098785448 /nfs/dbraw/zinc/78/54/48/1098785448.db2.gz IUINRBQLMOJDDO-NJAFHUGGSA-N 2 0 330.476 2.035 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001479710819 1098788934 /nfs/dbraw/zinc/78/89/34/1098788934.db2.gz ITZVOGSLYDUFFE-WBVHZDCISA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001444448826 1099091308 /nfs/dbraw/zinc/09/13/08/1099091308.db2.gz JCSXYUFHFVRDEO-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1C ZINC001444617766 1099444100 /nfs/dbraw/zinc/44/41/00/1099444100.db2.gz ICDPWMHVMDIJHZ-YJBOKZPZSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1cccnc1C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001479987672 1099448473 /nfs/dbraw/zinc/44/84/73/1099448473.db2.gz GNENGKIORJCGIT-SFHVURJKSA-N 2 0 344.503 2.201 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)on1 ZINC001444691882 1099542659 /nfs/dbraw/zinc/54/26/59/1099542659.db2.gz JLQBZDIWZWFYCR-DOTOQJQBSA-N 2 0 336.480 2.182 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001444731442 1099607241 /nfs/dbraw/zinc/60/72/41/1099607241.db2.gz RJERJDLJQUQVOP-CVEARBPZSA-N 2 0 333.476 2.289 10 0 EEAERP CC(C)(C(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C1)[NH+]1CCCC1 ZINC001480114732 1099681216 /nfs/dbraw/zinc/68/12/16/1099681216.db2.gz KDUBAMBCBMBMAS-KRWDZBQOSA-N 2 0 345.487 2.130 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001444844576 1099819854 /nfs/dbraw/zinc/81/98/54/1099819854.db2.gz ZYHLMKMNCLTXMU-NVXWUHKLSA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480294432 1100009073 /nfs/dbraw/zinc/00/90/73/1100009073.db2.gz IKALRRSXVYZVDQ-OAHLLOKOSA-N 2 0 336.480 2.078 10 0 EEAERP CC(C)OCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480323648 1100069961 /nfs/dbraw/zinc/06/99/61/1100069961.db2.gz KTZOWVKODMIVER-BZSNNMDCSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc(CN2CCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001480331255 1100088508 /nfs/dbraw/zinc/08/85/08/1100088508.db2.gz LEZIACSMFKUFFW-OAHLLOKOSA-N 2 0 338.521 2.262 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001480350770 1100120686 /nfs/dbraw/zinc/12/06/86/1100120686.db2.gz BARNIZISFJNDJM-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480472069 1100278991 /nfs/dbraw/zinc/27/89/91/1100278991.db2.gz MUOBMYVFIVQKTB-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001445114886 1100356964 /nfs/dbraw/zinc/35/69/64/1100356964.db2.gz OWTHAOXUFVFUCC-WBVHZDCISA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480536339 1100366250 /nfs/dbraw/zinc/36/62/50/1100366250.db2.gz FNHXKYTVEZITPD-HOTGVXAUSA-N 2 0 340.471 2.171 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(OC)c1C ZINC001495108555 1100760599 /nfs/dbraw/zinc/76/05/99/1100760599.db2.gz NTUBZXOAKDBLKO-KRWDZBQOSA-N 2 0 333.476 2.084 10 0 EEAERP O=C(NC1(C[NH2+]Cc2nccs2)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001495160233 1100831999 /nfs/dbraw/zinc/83/19/99/1100831999.db2.gz DZHRRZWZYLVKNS-HNNXBMFYSA-N 2 0 348.516 2.004 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001496278088 1100860754 /nfs/dbraw/zinc/86/07/54/1100860754.db2.gz GKMURTGFVZIZFA-ZWKOTPCHSA-N 2 0 332.492 2.186 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496296703 1100882424 /nfs/dbraw/zinc/88/24/24/1100882424.db2.gz RDSFLJDBHWUXQE-HUUCEWRRSA-N 2 0 331.451 2.104 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC001496366988 1100959914 /nfs/dbraw/zinc/95/99/14/1100959914.db2.gz GKRGVFXVSAXDMY-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001495378639 1101097681 /nfs/dbraw/zinc/09/76/81/1101097681.db2.gz KKOVGDCWUZQDEB-KRWDZBQOSA-N 2 0 332.492 2.142 10 0 EEAERP CC[C@H](F)C[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001496512572 1101111579 /nfs/dbraw/zinc/11/15/79/1101111579.db2.gz NFEAMJKWBNAOCZ-KRWDZBQOSA-N 2 0 339.499 2.391 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001496602079 1101202338 /nfs/dbraw/zinc/20/23/38/1101202338.db2.gz FJEWVBYBGVSTQO-UKRRQHHQSA-N 2 0 331.451 2.104 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001496603662 1101204658 /nfs/dbraw/zinc/20/46/58/1101204658.db2.gz UGGJIEYVXNJSMH-MAUKXSAKSA-N 2 0 327.488 2.339 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001496680026 1101278532 /nfs/dbraw/zinc/27/85/32/1101278532.db2.gz OQKMGHVEUNQUNY-QAPCUYQASA-N 2 0 333.476 2.241 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001496706366 1101306456 /nfs/dbraw/zinc/30/64/56/1101306456.db2.gz FIQMPZPORNLFFB-QLFBSQMISA-N 2 0 331.451 2.152 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001495681874 1101427230 /nfs/dbraw/zinc/42/72/30/1101427230.db2.gz JCVZHFLVWOJLBZ-HIFRSBDPSA-N 2 0 338.521 2.168 10 0 EEAERP CC[C@H](C[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)OC ZINC001496780508 1101453146 /nfs/dbraw/zinc/45/31/46/1101453146.db2.gz FKWIXCOYIBDCKF-QAPCUYQASA-N 2 0 345.503 2.014 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cccc(F)c1Cl ZINC001495810057 1101625915 /nfs/dbraw/zinc/62/59/15/1101625915.db2.gz VJLWMICBTFAIJG-ZDUSSCGKSA-N 2 0 341.858 2.417 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cncs2)CCC1 ZINC001496890871 1101675643 /nfs/dbraw/zinc/67/56/43/1101675643.db2.gz XGJLPZPFIPUMHH-ZFWWWQNUSA-N 2 0 336.505 2.002 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCCC1 ZINC001495963764 1101843752 /nfs/dbraw/zinc/84/37/52/1101843752.db2.gz QGWCWECQNQFQKH-SJORKVTESA-N 2 0 339.524 2.040 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cn1 ZINC001497196625 1102109080 /nfs/dbraw/zinc/10/90/80/1102109080.db2.gz BFKPOGLWSJCXFM-WMLDXEAASA-N 2 0 336.455 2.080 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CCCCO2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001447211522 1102213466 /nfs/dbraw/zinc/21/34/66/1102213466.db2.gz DIFBVIFJSYAVKW-KRWDZBQOSA-N 2 0 349.519 2.060 10 0 EEAERP CCc1cnc(CN2CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2)o1 ZINC001447322691 1102445344 /nfs/dbraw/zinc/44/53/44/1102445344.db2.gz SSLJKJCDARXCOW-GDBMZVCRSA-N 2 0 336.480 2.048 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCCc2cccc(F)c2)CC[N@@H+]1C ZINC001497585427 1102702514 /nfs/dbraw/zinc/70/25/14/1102702514.db2.gz JLQXFFRLOPVPDZ-YLWHDKFOSA-N 2 0 347.478 2.361 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1F ZINC001497612374 1102749607 /nfs/dbraw/zinc/74/96/07/1102749607.db2.gz AIPJQSGQSWNWES-XDXAGZTOSA-N 2 0 333.451 2.380 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CCCF)CC1(C)C ZINC001447591504 1102933849 /nfs/dbraw/zinc/93/38/49/1102933849.db2.gz VVQLJPFSWIJQIR-HUUCEWRRSA-N 2 0 333.467 2.243 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001447698066 1103129461 /nfs/dbraw/zinc/12/94/61/1103129461.db2.gz GDDXICVNAUFIEU-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP O=C(NCC[C@H]1CC[N@H+](Cc2ccsc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001494020731 1103364557 /nfs/dbraw/zinc/36/45/57/1103364557.db2.gz NVUAYQHCMMNXFJ-MAUKXSAKSA-N 2 0 347.528 2.418 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2cccc(F)c2F)C1 ZINC001447818252 1103380299 /nfs/dbraw/zinc/38/02/99/1103380299.db2.gz FSMWTANIKBEWSN-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001447905481 1103564118 /nfs/dbraw/zinc/56/41/18/1103564118.db2.gz JQBVUDMTGOIWEE-RYUDHWBXSA-N 2 0 325.419 2.400 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447930492 1103627266 /nfs/dbraw/zinc/62/72/66/1103627266.db2.gz JGVNWCLYAVMEBZ-CVEARBPZSA-N 2 0 331.504 2.498 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC001447943606 1103655895 /nfs/dbraw/zinc/65/58/95/1103655895.db2.gz BUFSGSUBLGAKTR-AOCRQIFASA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccn(CC)n2)CC1 ZINC001447944503 1103657290 /nfs/dbraw/zinc/65/72/90/1103657290.db2.gz DBHJOVMSVACCJS-UHFFFAOYSA-N 2 0 349.523 2.104 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(CF)cc1 ZINC001448089660 1103977671 /nfs/dbraw/zinc/97/76/71/1103977671.db2.gz FCQQPERDSRBBAN-HZPDHXFCSA-N 2 0 335.467 2.434 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(F)c2)C1 ZINC001448348131 1104440300 /nfs/dbraw/zinc/44/03/00/1104440300.db2.gz URCKZRGGVYKTBA-HOCLYGCPSA-N 2 0 333.451 2.104 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCc1ccccc1F ZINC001495057499 1104695527 /nfs/dbraw/zinc/69/55/27/1104695527.db2.gz HIZAZDQXJYPIMX-RDJZCZTQSA-N 2 0 335.467 2.194 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480653141 1106823468 /nfs/dbraw/zinc/82/34/68/1106823468.db2.gz KTXYBXXXSDRINF-MRXNPFEDSA-N 2 0 341.459 2.365 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2sc(C)nc2C)CC[N@@H+]1C ZINC001498045312 1106831697 /nfs/dbraw/zinc/83/16/97/1106831697.db2.gz OTQYDEOBAJKZMH-TUKIKUTGSA-N 2 0 338.521 2.085 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001480682732 1106876463 /nfs/dbraw/zinc/87/64/63/1106876463.db2.gz HMPCCMKASIQHDT-CQSZACIVSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)c2ccc3c[nH+]cn3c2C)co1 ZINC001480776248 1107097296 /nfs/dbraw/zinc/09/72/96/1107097296.db2.gz LKTIOCLHPAJDEO-GFCCVEGCSA-N 2 0 341.415 2.237 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC001480803208 1107144587 /nfs/dbraw/zinc/14/45/87/1107144587.db2.gz HKFDWYWBOHVESD-WBVHZDCISA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccccc1CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498249544 1107152342 /nfs/dbraw/zinc/15/23/42/1107152342.db2.gz ZGFOYRBUYFIEMI-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001493222917 1107711256 /nfs/dbraw/zinc/71/12/56/1107711256.db2.gz KRELJUQAOGKTBS-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP CN(CCC[NH2+]Cc1csc(C2CC2)n1)C(=O)C12CC[NH+](CC1)C2 ZINC001498642364 1107875999 /nfs/dbraw/zinc/87/59/99/1107875999.db2.gz ZAOBWBKFNBHGPJ-UHFFFAOYSA-N 2 0 348.516 2.054 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001498737179 1108001059 /nfs/dbraw/zinc/00/10/59/1108001059.db2.gz XSXJFRFZTTXLNE-PMACEKPBSA-N 2 0 341.499 2.254 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCc1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001498856965 1108230301 /nfs/dbraw/zinc/23/03/01/1108230301.db2.gz GMSQLGNCIGHAQL-IBGZPJMESA-N 2 0 341.499 2.199 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC=C(Cl)Cl)C1 ZINC001493667331 1108480837 /nfs/dbraw/zinc/48/08/37/1108480837.db2.gz OCLKYXSXZOEDJX-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]Cc1cccnc1)c1ccccc1 ZINC001493759250 1108634039 /nfs/dbraw/zinc/63/40/39/1108634039.db2.gz HIVHMGWERFKSQV-IBGZPJMESA-N 2 0 340.471 2.323 10 0 EEAERP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001465214954 1110413137 /nfs/dbraw/zinc/41/31/37/1110413137.db2.gz KDJLNGTYGRYPHR-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1ccco1 ZINC001470135363 1110501932 /nfs/dbraw/zinc/50/19/32/1110501932.db2.gz ZDJZLRXADBPFBI-XHSDSOJGSA-N 2 0 336.480 2.444 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001470260285 1110503946 /nfs/dbraw/zinc/50/39/46/1110503946.db2.gz VGYJRBBKNYOAMO-ZWKOTPCHSA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001479322278 1110681342 /nfs/dbraw/zinc/68/13/42/1110681342.db2.gz RHMRGISKBNMCQL-UXHBJDMCSA-N 2 0 345.890 2.436 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001479414285 1110693740 /nfs/dbraw/zinc/69/37/40/1110693740.db2.gz IZHNYFDVPOAHHC-UFYCRDLUSA-N 2 0 343.515 2.364 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001499128246 1112139290 /nfs/dbraw/zinc/13/92/90/1112139290.db2.gz UZOZXFFUQFKSMO-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCc3ccsc3)CC2)CC1 ZINC001499341214 1112241577 /nfs/dbraw/zinc/24/15/77/1112241577.db2.gz SKRUJVCMQBCGLN-UHFFFAOYSA-N 2 0 335.517 2.261 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2CC[NH+](CCCF)C2)CC1 ZINC001499477770 1112308581 /nfs/dbraw/zinc/30/85/81/1112308581.db2.gz HMQFAHRERQZXHJ-QGZVFWFLSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500502697 1112894488 /nfs/dbraw/zinc/89/44/88/1112894488.db2.gz ZEWWOWALBPRKDU-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C)o1 ZINC001503022676 1113872805 /nfs/dbraw/zinc/87/28/05/1113872805.db2.gz CTUADLSAMRYCOA-WBVHZDCISA-N 2 0 348.491 2.328 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(CO)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001505391436 1113929355 /nfs/dbraw/zinc/92/93/55/1113929355.db2.gz XFNXMLDVEKZCQP-KRWDZBQOSA-N 2 0 347.503 2.033 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456575 1113990848 /nfs/dbraw/zinc/99/08/48/1113990848.db2.gz YIBXQTOQEFYGNG-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001505622193 1114091266 /nfs/dbraw/zinc/09/12/66/1114091266.db2.gz QTTYBAKSBLFWAY-NWDGAFQWSA-N 2 0 338.521 2.227 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1ccccc1N(C)C 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ZINC001568651530 1124662209 /nfs/dbraw/zinc/66/22/09/1124662209.db2.gz SISJNFFJIYCPGR-SJLPKXTDSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001568674501 1124687517 /nfs/dbraw/zinc/68/75/17/1124687517.db2.gz OUSBJCHJGGMQKD-GFCCVEGCSA-N 2 0 338.521 2.086 10 0 EEAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568758849 1124773211 /nfs/dbraw/zinc/77/32/11/1124773211.db2.gz UWKJFUNZQBAPQD-CQSZACIVSA-N 2 0 333.411 2.067 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2F)CC[N@@H+]1C ZINC001568852435 1124872993 /nfs/dbraw/zinc/87/29/93/1124872993.db2.gz VWTYIQACJCXGAM-SQLJOLKNSA-N 2 0 337.414 2.067 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1F ZINC001568859380 1124883084 /nfs/dbraw/zinc/88/30/84/1124883084.db2.gz ZTBKRWJUCSNFME-DUMMIQTOSA-N 2 0 333.451 2.462 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001568919829 1124947267 /nfs/dbraw/zinc/94/72/67/1124947267.db2.gz JQNBEMDDNPAGAL-BAHPRDJBSA-N 2 0 341.499 2.279 10 0 EEAERP C[C@H](C[NH2+]CCCc1c(F)cccc1F)NC(=O)C[NH+]1CCCC1 ZINC001569036896 1125056244 /nfs/dbraw/zinc/05/62/44/1125056244.db2.gz XTDYMHZJJUPVJN-CQSZACIVSA-N 2 0 339.430 2.088 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C2CC2)no1 ZINC001569201749 1125161153 /nfs/dbraw/zinc/16/11/53/1125161153.db2.gz JITFJQOXIYFCEU-GOSISDBHSA-N 2 0 348.491 2.363 10 0 EEAERP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349788690 282239623 /nfs/dbraw/zinc/23/96/23/282239623.db2.gz ZKAOODSZDIGULF-MOPGFXCFSA-N 2 0 344.503 2.037 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1=O ZINC000067880391 215238978 /nfs/dbraw/zinc/23/89/78/215238978.db2.gz YIGAORBMVJKRSY-HXUWFJFHSA-N 2 0 325.456 2.456 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(F)ccc2OC)CC[NH2+]CC1 ZINC000423065593 240348809 /nfs/dbraw/zinc/34/88/09/240348809.db2.gz UYCMREYCYYPIHW-ZDUSSCGKSA-N 2 0 338.423 2.245 10 0 EEAERP COc1ccc([C@H](NC[C@H](C)C[NH+]2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422751715 240207324 /nfs/dbraw/zinc/20/73/24/240207324.db2.gz ABCOWMJUIDEXDS-DBVUQKKJSA-N 2 0 347.503 2.046 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000422881367 240273637 /nfs/dbraw/zinc/27/36/37/240273637.db2.gz QKVCTDVAENQDLX-LBPRGKRZSA-N 2 0 331.254 2.301 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024354 240332128 /nfs/dbraw/zinc/33/21/28/240332128.db2.gz LNYCBKMTPJHQNP-QWHCGFSZSA-N 2 0 329.847 2.401 10 0 EEAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000495095966 247064805 /nfs/dbraw/zinc/06/48/05/247064805.db2.gz YWWQUECFFUKGHL-ZWKOTPCHSA-N 2 0 329.488 2.198 10 0 EEAERP CCN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248587150 160350991 /nfs/dbraw/zinc/35/09/91/160350991.db2.gz YBRQAWRVFJEHPH-GUDVDZBRSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000122192600 292271064 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PEFQCXXDDJEGCZ-ZWKOTPCHSA-N 2 0 334.508 2.154 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246705133 160290143 /nfs/dbraw/zinc/29/01/43/160290143.db2.gz XOISBUTYVBLNHP-KSZLIROESA-N 2 0 336.524 2.233 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)[NH+](C)C)cc1 ZINC000247203680 160314592 /nfs/dbraw/zinc/31/45/92/160314592.db2.gz LSNALJRMZLWEQD-NEWSRXKRSA-N 2 0 344.503 2.476 10 0 EEAERP CC[NH2+]Cc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000364213869 165054140 /nfs/dbraw/zinc/05/41/40/165054140.db2.gz RIASYFAEDMEHEG-TXPKVOOTSA-N 2 0 331.460 2.267 10 0 EEAERP CC[N@H+](CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)C1CC1 ZINC000369927110 166358687 /nfs/dbraw/zinc/35/86/87/166358687.db2.gz NLKXPBHOIFROHA-UHFFFAOYSA-N 2 0 330.476 2.207 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000174173382 287220489 /nfs/dbraw/zinc/22/04/89/287220489.db2.gz VWASFLQCRCUNJT-KZNAEPCWSA-N 2 0 336.524 2.377 10 0 EEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000123776883 222330593 /nfs/dbraw/zinc/33/05/93/222330593.db2.gz RDTYXHQOVAERQP-HUUCEWRRSA-N 2 0 341.521 2.495 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900511 227347046 /nfs/dbraw/zinc/34/70/46/227347046.db2.gz CLWQAMCAKFDPTH-IBGZPJMESA-N 2 0 342.487 2.272 10 0 EEAERP C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000272688826 269009365 /nfs/dbraw/zinc/00/93/65/269009365.db2.gz BYOZGJHRYANZDV-QFBILLFUSA-N 2 0 344.503 2.109 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000279207484 274451720 /nfs/dbraw/zinc/45/17/20/274451720.db2.gz VSIRZQICPNOYFD-HXUWFJFHSA-N 2 0 341.503 2.234 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000174449385 276075564 /nfs/dbraw/zinc/07/55/64/276075564.db2.gz JPLQVPJURIWZGC-IBGZPJMESA-N 2 0 342.487 2.294 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@H]21 ZINC000415952070 277066840 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467017036 /nfs/dbraw/zinc/01/70/36/467017036.db2.gz WMQUFPGWKYIUGE-WBAXXEDZSA-N 2 0 346.475 2.010 10 0 EEAERP C[C@]1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044859 467032881 /nfs/dbraw/zinc/03/28/81/467032881.db2.gz NMSYXZXUPNEOKG-FXAWDEMLSA-N 2 0 344.503 2.340 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccc2ccccc2c1 ZINC000418253770 467084808 /nfs/dbraw/zinc/08/48/08/467084808.db2.gz ZIXUUCHROABPQO-VQIMIIECSA-N 2 0 349.438 2.419 10 0 EEAERP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418451069 467113118 /nfs/dbraw/zinc/11/31/18/467113118.db2.gz VFQPCFIFPAHPAR-ZACQAIPSSA-N 2 0 336.455 2.169 10 0 EEAERP CCc1nc(C)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000428310702 467220899 /nfs/dbraw/zinc/22/08/99/467220899.db2.gz PPKPJJBZTDBHHP-SJPCQFCGSA-N 2 0 332.492 2.288 10 0 EEAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000386250682 467389982 /nfs/dbraw/zinc/38/99/82/467389982.db2.gz 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C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCC[N@@H+]3CCO)CC2)C1 ZINC000449389425 467635617 /nfs/dbraw/zinc/63/56/17/467635617.db2.gz CTWVUYAZFJAZPE-MISYRCLQSA-N 2 0 337.552 2.466 10 0 EEAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)NC ZINC000449767880 467711615 /nfs/dbraw/zinc/71/16/15/467711615.db2.gz BGBRPSDBNUYHCA-ZSYWTGECSA-N 2 0 329.488 2.401 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000530243090 467967679 /nfs/dbraw/zinc/96/76/79/467967679.db2.gz VXRKXTAGPMCGMY-SFHVURJKSA-N 2 0 349.450 2.245 10 0 EEAERP C[C@@H]1CC[C@](CO)([NH+](C)CCC[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495196955 468082901 /nfs/dbraw/zinc/08/29/01/468082901.db2.gz SWCWSNFQYJTANL-RDGPPVDQSA-N 2 0 326.525 2.342 10 0 EEAERP O[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399459 468158959 /nfs/dbraw/zinc/15/89/59/468158959.db2.gz QBEWBXLWZCCSJD-VQTJNVASSA-N 3 0 343.515 2.230 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000578549782 468216019 /nfs/dbraw/zinc/21/60/19/468216019.db2.gz ZSRVVNRVFWZRJV-SJORKVTESA-N 2 0 329.492 2.259 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000582237002 468510437 /nfs/dbraw/zinc/51/04/37/468510437.db2.gz XVKOPQCTGXYIQG-ZIBCJSCZSA-N 2 0 345.531 2.157 10 0 EEAERP [NH3+][C@H](CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000583623094 468729493 /nfs/dbraw/zinc/72/94/93/468729493.db2.gz QUBCQQIWLMZBMK-CVEARBPZSA-N 2 0 333.501 2.346 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000595061838 468750630 /nfs/dbraw/zinc/75/06/30/468750630.db2.gz NGQNBXMXWXDJPB-NXHTTZLHSA-N 2 0 339.549 2.347 10 0 EEAERP C[NH+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000601208471 468781946 /nfs/dbraw/zinc/78/19/46/468781946.db2.gz NFMKTVXLAWEDBX-YQQQUEKLSA-N 2 0 344.503 2.433 10 0 EEAERP CCOC(=O)C1(C)CC([NH2+]Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000601262451 468802604 /nfs/dbraw/zinc/80/26/04/468802604.db2.gz 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ZINC000658108794 471266652 /nfs/dbraw/zinc/26/66/52/471266652.db2.gz SIDOBCUOCMGWSQ-DLBZAZTESA-N 2 0 348.535 2.311 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)C1 ZINC000652347747 471275552 /nfs/dbraw/zinc/27/55/52/471275552.db2.gz KRUYKWJKSOBRTO-NLWGTHIKSA-N 2 0 348.487 2.300 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nc(-c4ccoc4)no3)C2)C1 ZINC000652348934 471275976 /nfs/dbraw/zinc/27/59/76/471275976.db2.gz WKMIRVHNKNECPL-BPLDGKMQSA-N 2 0 332.404 2.048 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291178 /nfs/dbraw/zinc/29/11/78/471291178.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 2 0 344.547 2.123 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C/C=C\c2ccccc2OC)CC1 ZINC000663502767 471402303 /nfs/dbraw/zinc/40/23/03/471402303.db2.gz AUEGIVYUIVLPKR-YVMONPNESA-N 2 0 345.487 2.289 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000663507178 471404841 /nfs/dbraw/zinc/40/48/41/471404841.db2.gz ZMCYAILZRQBFAY-IBGZPJMESA-N 2 0 329.488 2.124 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698085 471446913 /nfs/dbraw/zinc/44/69/13/471446913.db2.gz WALOHPSIELSCQZ-PMACEKPBSA-N 2 0 331.504 2.002 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)ccc1F ZINC000655714800 471453361 /nfs/dbraw/zinc/45/33/61/471453361.db2.gz DAEPSFRZIFERAS-GOSISDBHSA-N 2 0 335.467 2.230 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[NH+]2CCCC2)o1 ZINC000653115726 471496801 /nfs/dbraw/zinc/49/68/01/471496801.db2.gz YNRZRGSBMKOVIB-ULQDDVLXSA-N 2 0 331.460 2.372 10 0 EEAERP CC(C)[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000669514831 471529932 /nfs/dbraw/zinc/52/99/32/471529932.db2.gz MFVYTEQPOMAQKN-LJQANCHMSA-N 2 0 329.488 2.299 10 0 EEAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655907780 471531165 /nfs/dbraw/zinc/53/11/65/471531165.db2.gz ODSHZMVNKPOFGZ-KFWWJZLASA-N 2 0 334.464 2.025 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663909603 471573339 /nfs/dbraw/zinc/57/33/39/471573339.db2.gz OLZJIKULDDZQTB-SJORKVTESA-N 2 0 348.491 2.461 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000659432053 471623786 /nfs/dbraw/zinc/62/37/86/471623786.db2.gz RTRVKGLSGOPRNA-GOSISDBHSA-N 2 0 332.492 2.455 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000656195178 471629445 /nfs/dbraw/zinc/62/94/45/471629445.db2.gz WJVGYNMDDDSKTK-INIZCTEOSA-N 2 0 344.425 2.198 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659454718 471635833 /nfs/dbraw/zinc/63/58/33/471635833.db2.gz NFLLJQITRLKWLX-TZGCNFNXSA-N 2 0 330.476 2.167 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000667150347 471672845 /nfs/dbraw/zinc/67/28/45/471672845.db2.gz KYXMKAKLORJVTE-QGZVFWFLSA-N 2 0 348.491 2.196 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659545018 471673292 /nfs/dbraw/zinc/67/32/92/471673292.db2.gz YUPZKLOTBRNXHX-JFIYKMOQSA-N 2 0 336.524 2.173 10 0 EEAERP CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000656545869 471755009 /nfs/dbraw/zinc/75/50/09/471755009.db2.gz PZIFUIBJZBGQEA-LSDHHAIUSA-N 2 0 338.521 2.477 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000654066562 471825935 /nfs/dbraw/zinc/82/59/35/471825935.db2.gz BQNTYOFRRYHNQN-GBESFXJTSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)[C@@]1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCSC1 ZINC000662489890 472125903 /nfs/dbraw/zinc/12/59/03/472125903.db2.gz YDGXETALBURUPB-VQIMIIECSA-N 2 0 347.528 2.232 10 0 EEAERP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000668571187 472179831 /nfs/dbraw/zinc/17/98/31/472179831.db2.gz DKHVEMYHPICDPV-AYHJJNSGSA-N 2 0 327.472 2.392 10 0 EEAERP CC1CC[NH+]([C@@H](CNC(=O)NC/C=C/C[NH3+])c2cccs2)CC1 ZINC000668644705 472207739 /nfs/dbraw/zinc/20/77/39/472207739.db2.gz LZTMSSSJXZQKNX-FAAWYNLUSA-N 2 0 336.505 2.335 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[C@H]1c1ccc(F)cc1 ZINC000662815515 472264273 /nfs/dbraw/zinc/26/42/73/472264273.db2.gz GADFYPDAWBJPPD-DLBZAZTESA-N 2 0 331.435 2.144 10 0 EEAERP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000662881773 472288912 /nfs/dbraw/zinc/28/89/12/472288912.db2.gz BCUUBFPDAHUFAA-ZWKOTPCHSA-N 2 0 325.412 2.294 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000673865746 485561983 /nfs/dbraw/zinc/56/19/83/485561983.db2.gz ZDGRCXTURFZCCW-KRWDZBQOSA-N 2 0 340.431 2.359 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C1 ZINC000628337833 485713148 /nfs/dbraw/zinc/71/31/48/485713148.db2.gz SLAHFYSAZCYPEU-LJQANCHMSA-N 2 0 348.450 2.486 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000680502181 485987086 /nfs/dbraw/zinc/98/70/86/485987086.db2.gz NKHTZSYAMDXBSU-LJQANCHMSA-N 2 0 346.519 2.492 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000676647898 486272151 /nfs/dbraw/zinc/27/21/51/486272151.db2.gz LEYGKPFOOWAMBL-YJBOKZPZSA-N 2 0 345.491 2.000 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N1CCC(C[NH+]2CCCC2)CC1 ZINC000727076440 576401902 /nfs/dbraw/zinc/40/19/02/576401902.db2.gz HMNNBQZKFJPXLJ-UHFFFAOYSA-N 2 0 340.581 2.257 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2(C)OCCO2)CC1 ZINC000759175207 577638492 /nfs/dbraw/zinc/63/84/92/577638492.db2.gz BQBDUGYYHCJASC-UHFFFAOYSA-N 2 0 347.503 2.461 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccnn2C)CC1 ZINC000762555356 577703167 /nfs/dbraw/zinc/70/31/67/577703167.db2.gz GYHKXOGTVHTWRR-UHFFFAOYSA-N 2 0 341.503 2.284 10 0 EEAERP COC(=O)CCN(Cc1ccc(F)c(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261903997 682145296 /nfs/dbraw/zinc/14/52/96/682145296.db2.gz WRQYVCOEKHSJIU-QGZVFWFLSA-N 2 0 326.387 2.330 10 0 EEAERP [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000895116758 683955114 /nfs/dbraw/zinc/95/51/14/683955114.db2.gz SWECHQJYLWAGOB-ZHALLVOQSA-N 2 0 344.503 2.411 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925643803 684701026 /nfs/dbraw/zinc/70/10/26/684701026.db2.gz IEKNADMGLVMFQU-NWDGAFQWSA-N 2 0 325.478 2.358 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000899224846 693670050 /nfs/dbraw/zinc/67/00/50/693670050.db2.gz XTBOJLIKBAZBGF-APWZRJJASA-N 2 0 342.487 2.251 10 0 EEAERP COc1ccc(C[NH+]2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001485537130 1191827173 /nfs/dbraw/zinc/82/71/73/1191827173.db2.gz GQNIEMJBYNDCOL-INIZCTEOSA-N 2 0 345.487 2.036 10 0 EEAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001485685280 1191896791 /nfs/dbraw/zinc/89/67/91/1191896791.db2.gz RYBJKTXUHHWMNC-CKEIUWERSA-N 2 0 333.480 2.075 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001485815367 1191979347 /nfs/dbraw/zinc/97/93/47/1191979347.db2.gz ZKDIQEABNRPEKP-ZWKOTPCHSA-N 2 0 348.491 2.184 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659794 1177075613 /nfs/dbraw/zinc/07/56/13/1177075613.db2.gz HBAWRMVMWIGWHD-OAHLLOKOSA-N 2 0 327.831 2.121 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001266851665 1177555145 /nfs/dbraw/zinc/55/51/45/1177555145.db2.gz BNZCQIMBDZLNCO-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCCC[C@H]1C[NH2+]CCF ZINC001266879435 1177691996 /nfs/dbraw/zinc/69/19/96/1177691996.db2.gz ABWCLCJTHXEOKP-KRWDZBQOSA-N 2 0 325.472 2.049 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001691235850 1177751770 /nfs/dbraw/zinc/75/17/70/1177751770.db2.gz PMLJVZWTBGVSKK-DLBZAZTESA-N 2 0 349.519 2.058 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CC[NH2+]CCCF ZINC001691309551 1177885011 /nfs/dbraw/zinc/88/50/11/1177885011.db2.gz SUDBXAPKLJAGTL-CVEARBPZSA-N 2 0 325.472 2.049 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691321713 1177908771 /nfs/dbraw/zinc/90/87/71/1177908771.db2.gz HWKCLXNTOHNLEL-FQEVSTJZSA-N 2 0 343.515 2.181 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001267092272 1178222986 /nfs/dbraw/zinc/22/29/86/1178222986.db2.gz ZICHUMNKPUPFOT-MSOLQXFVSA-N 2 0 339.499 2.485 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001267118039 1178281945 /nfs/dbraw/zinc/28/19/45/1178281945.db2.gz ZYNXDQFXGDWMFO-LJQANCHMSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)sn1 ZINC001267455990 1179039340 /nfs/dbraw/zinc/03/93/40/1179039340.db2.gz JEMOVEIAHAUWCE-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)C(C)C)sn1 ZINC001267499205 1179185540 /nfs/dbraw/zinc/18/55/40/1179185540.db2.gz MQAGGWMCKATVHB-INIZCTEOSA-N 2 0 338.521 2.262 10 0 EEAERP CC/C=C\CC[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267685713 1180160913 /nfs/dbraw/zinc/16/09/13/1180160913.db2.gz HKYCZEGLJXQFHG-ARJAWSKDSA-N 2 0 339.443 2.285 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001267735650 1180332783 /nfs/dbraw/zinc/33/27/83/1180332783.db2.gz ZJVBLZQDPPFDBI-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001481245094 1180434005 /nfs/dbraw/zinc/43/40/05/1180434005.db2.gz CWBCWUSEACZRAT-IEBWSBKVSA-N 2 0 345.487 2.260 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)cc(C)c1 ZINC001267828968 1180598073 /nfs/dbraw/zinc/59/80/73/1180598073.db2.gz KLYQDZWPQSCACJ-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1ccc2sc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)nc2c1 ZINC001481273420 1180602916 /nfs/dbraw/zinc/60/29/16/1180602916.db2.gz SZGOUJXBIQELEO-UHFFFAOYSA-N 2 0 348.516 2.495 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(CC[NH2+]CCC(F)(F)F)CC1 ZINC001267913365 1180752711 /nfs/dbraw/zinc/75/27/11/1180752711.db2.gz MUSRFQGUJFIALK-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)on1 ZINC001267912639 1180753441 /nfs/dbraw/zinc/75/34/41/1180753441.db2.gz WKVDCOCUOHPABH-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268055339 1181612326 /nfs/dbraw/zinc/61/23/26/1181612326.db2.gz OPUPGRCRFPHFTK-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)Oc1cccc(C[NH+]2CC(CNC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001481669313 1182179448 /nfs/dbraw/zinc/17/94/48/1182179448.db2.gz HTWLCXNBHMDDLA-UHFFFAOYSA-N 2 0 347.503 2.362 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001481673099 1182186926 /nfs/dbraw/zinc/18/69/26/1182186926.db2.gz SZJFQJORSZSIOA-IKGGRYGDSA-N 2 0 325.472 2.286 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481696740 1182230252 /nfs/dbraw/zinc/23/02/52/1182230252.db2.gz STTRGXWDGXLVGA-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2ncccc2c1)NC(=O)CC[NH+](C)C ZINC001268398203 1182477705 /nfs/dbraw/zinc/47/77/05/1182477705.db2.gz WRUKLTLAPODCFW-OAHLLOKOSA-N 2 0 328.460 2.171 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1cncn1C ZINC001268413552 1182563719 /nfs/dbraw/zinc/56/37/19/1182563719.db2.gz GXQHHSDWQMRTIF-CYBMUJFWSA-N 2 0 334.851 2.301 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268457915 1182720750 /nfs/dbraw/zinc/72/07/50/1182720750.db2.gz BTMDVEQYHJLJTB-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458717 1182739489 /nfs/dbraw/zinc/73/94/89/1182739489.db2.gz QPXJOFWECMEKPK-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1conc1C ZINC001481827311 1182756774 /nfs/dbraw/zinc/75/67/74/1182756774.db2.gz CGHCRHLVTHTDSC-SJORKVTESA-N 2 0 336.480 2.088 10 0 EEAERP CCOCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481981231 1183076179 /nfs/dbraw/zinc/07/61/79/1183076179.db2.gz MCLMYTWVSKFSSC-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001481990227 1183096431 /nfs/dbraw/zinc/09/64/31/1183096431.db2.gz RWQIBAOMVOKJNY-QZTJIDSGSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]Cc3ccccc3)CC2)C1 ZINC001482007415 1183129626 /nfs/dbraw/zinc/12/96/26/1183129626.db2.gz CMRYREVZXYSSHA-IBGZPJMESA-N 2 0 329.488 2.357 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001482033628 1183179110 /nfs/dbraw/zinc/17/91/10/1183179110.db2.gz MEYBXKSGYFCXML-RTBURBONSA-N 2 0 345.487 2.056 10 0 EEAERP Cc1conc1C[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001482070008 1183295765 /nfs/dbraw/zinc/29/57/65/1183295765.db2.gz JIVMLLLBOWIXTR-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001268628068 1183551106 /nfs/dbraw/zinc/55/11/06/1183551106.db2.gz YPVFLRPOZUDJQM-ZZKXABKFSA-N 2 0 327.881 2.115 10 0 EEAERP CC/C=C/CCN1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001482188236 1183586813 /nfs/dbraw/zinc/58/68/13/1183586813.db2.gz GPFIOPRIZGUJML-VGRIIWOTSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001268661582 1183589642 /nfs/dbraw/zinc/58/96/42/1183589642.db2.gz ACZWDSGWWXMFED-CRAIPNDOSA-N 2 0 347.503 2.118 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001268690750 1183614162 /nfs/dbraw/zinc/61/41/62/1183614162.db2.gz FTQSKVBBLRCEEQ-AWEZNQCLSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1ccc(CN2CC(CNC(=O)CCCC[NH+](C)C)C2)cc1F ZINC001268896460 1183799094 /nfs/dbraw/zinc/79/90/94/1183799094.db2.gz SHTUGOMCAPCVJG-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268930809 1183833928 /nfs/dbraw/zinc/83/39/28/1183833928.db2.gz IALXKYYZDMZNSK-FQEVSTJZSA-N 2 0 329.488 2.419 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297286 1184148835 /nfs/dbraw/zinc/14/88/35/1184148835.db2.gz XBXMWKCJUIBLHM-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001269765944 1184603311 /nfs/dbraw/zinc/60/33/11/1184603311.db2.gz NWDKSRNQDFJSJE-NVXWUHKLSA-N 2 0 348.491 2.043 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001269903065 1184706760 /nfs/dbraw/zinc/70/67/60/1184706760.db2.gz WXDVOXXBEMDXDD-UHFFFAOYSA-N 2 0 348.491 2.222 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@@H]1C ZINC001269982278 1184759939 /nfs/dbraw/zinc/75/99/39/1184759939.db2.gz VHXIKQCTZHRWBY-ZWKOTPCHSA-N 2 0 347.503 2.376 10 0 EEAERP Cc1conc1CNC[C@H](C)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001482299988 1185199990 /nfs/dbraw/zinc/19/99/90/1185199990.db2.gz WMGUTPWEVWRFRG-LBPRGKRZSA-N 2 0 327.388 2.110 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCOCC)C2)C1 ZINC001270625155 1185239280 /nfs/dbraw/zinc/23/92/80/1185239280.db2.gz VOYUTHMOYVNTMH-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)CCn1ccnc1 ZINC001482312363 1185291107 /nfs/dbraw/zinc/29/11/07/1185291107.db2.gz GSSDMUSYQNKSLZ-KGLIPLIRSA-N 2 0 328.407 2.145 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001482340564 1185439123 /nfs/dbraw/zinc/43/91/23/1185439123.db2.gz JMNNFIOVCILQEI-RYUDHWBXSA-N 2 0 349.504 2.298 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)s1 ZINC001482398527 1185612431 /nfs/dbraw/zinc/61/24/31/1185612431.db2.gz NTFBDZNHTAUDEB-HNNXBMFYSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270921288 1185741861 /nfs/dbraw/zinc/74/18/61/1185741861.db2.gz HUYVBLKEHBYEIH-YOEHRIQHSA-N 2 0 337.895 2.413 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2(C)CC[NH+](CCCCCF)CC2)C1 ZINC001270925726 1185745378 /nfs/dbraw/zinc/74/53/78/1185745378.db2.gz KJRRABSSZSXCDD-MRXNPFEDSA-N 2 0 327.488 2.296 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550192 1186310916 /nfs/dbraw/zinc/31/09/16/1186310916.db2.gz NKRZLFWFUPXHDP-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001482628197 1187453446 /nfs/dbraw/zinc/45/34/46/1187453446.db2.gz HZGGWBGGPQRYKM-SJORKVTESA-N 2 0 347.503 2.488 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001482865168 1187784818 /nfs/dbraw/zinc/78/48/18/1187784818.db2.gz GJIJUGPBWNZJOX-HNNXBMFYSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001482890679 1187817810 /nfs/dbraw/zinc/81/78/10/1187817810.db2.gz YEUHFWUMPIZDIL-SWLSCSKDSA-N 2 0 326.510 2.022 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929944 1187850697 /nfs/dbraw/zinc/85/06/97/1187850697.db2.gz LXOFDXJXIBPNCF-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/CNCc2nc3ccccc3o2)CCC1 ZINC001483016062 1188002808 /nfs/dbraw/zinc/00/28/08/1188002808.db2.gz AHOHECVMAFPOAZ-AATRIKPKSA-N 2 0 342.443 2.074 10 0 EEAERP Cc1nc(CNC/C=C\CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001483022893 1188012443 /nfs/dbraw/zinc/01/24/43/1188012443.db2.gz LSMJWTZYOYIHGE-DSLCMKTCSA-N 2 0 348.516 2.230 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001483082599 1188445043 /nfs/dbraw/zinc/44/50/43/1188445043.db2.gz SLJMGWDKTORWDT-RITUYPHNSA-N 2 0 345.462 2.417 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483098206 1188473733 /nfs/dbraw/zinc/47/37/33/1188473733.db2.gz PMEBKAMBWHKDJD-OOFWQKGWSA-N 2 0 348.491 2.174 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691628712 1188775748 /nfs/dbraw/zinc/77/57/48/1188775748.db2.gz AYTXGFFNJZXZKD-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214016 1189192019 /nfs/dbraw/zinc/19/20/19/1189192019.db2.gz CKNIWLPIBVJRPO-FZMZJTMJSA-N 2 0 327.831 2.168 10 0 EEAERP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001409367302 1189587690 /nfs/dbraw/zinc/58/76/90/1189587690.db2.gz BKRMDGXWJMRXDE-CHWSQXEVSA-N 2 0 341.883 2.283 10 0 EEAERP COc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C2CCC2)ccc1C ZINC001409381998 1189605402 /nfs/dbraw/zinc/60/54/02/1189605402.db2.gz PKCMJJRYCMOUIN-CVEARBPZSA-N 2 0 347.503 2.471 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001485885965 1193629703 /nfs/dbraw/zinc/62/97/03/1193629703.db2.gz QJWWNBMEEPPGPO-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP CCC(CC)n1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001485956402 1193648768 /nfs/dbraw/zinc/64/87/68/1193648768.db2.gz WQRCQZPLOARCFQ-CVEARBPZSA-N 2 0 349.523 2.132 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266115 1190290354 /nfs/dbraw/zinc/29/03/54/1190290354.db2.gz DIDLYKQKAVDNJJ-HOTGVXAUSA-N 2 0 340.471 2.171 10 0 EEAERP C[C@@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483318420 1190345901 /nfs/dbraw/zinc/34/59/01/1190345901.db2.gz CCWGGESIUDFYIG-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001483441450 1190481970 /nfs/dbraw/zinc/48/19/70/1190481970.db2.gz ADMHSVRFWHUCHC-NVXWUHKLSA-N 2 0 348.491 2.094 10 0 EEAERP CO[C@@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001483474409 1190495936 /nfs/dbraw/zinc/49/59/36/1190495936.db2.gz KCCIDPAADYRNDM-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1c(C)nsc1C)[NH+](C)C ZINC001483492324 1190509421 /nfs/dbraw/zinc/50/94/21/1190509421.db2.gz DCBXONLZCGAPEG-HNNXBMFYSA-N 2 0 326.510 2.038 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001483495765 1190511804 /nfs/dbraw/zinc/51/18/04/1190511804.db2.gz JCGXTPIYSJMWNL-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001483606524 1190585479 /nfs/dbraw/zinc/58/54/79/1190585479.db2.gz DFXZLYYZBWOPSM-ZWKOTPCHSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001483607545 1190586349 /nfs/dbraw/zinc/58/63/49/1190586349.db2.gz MIHSRAHNVBWHSR-GOSISDBHSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001486123680 1193688376 /nfs/dbraw/zinc/68/83/76/1193688376.db2.gz GKWIKMBPCBXIOL-HOCLYGCPSA-N 2 0 337.895 2.413 10 0 EEAERP CC(C)C[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCCC1 ZINC001409794376 1190626179 /nfs/dbraw/zinc/62/61/79/1190626179.db2.gz HOBZCNURIVEDEX-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1scnc1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409843947 1190676447 /nfs/dbraw/zinc/67/64/47/1190676447.db2.gz OGCCXJUFNNYIPU-GJZGRUSLSA-N 2 0 338.521 2.168 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001272475318 1190840587 /nfs/dbraw/zinc/84/05/87/1190840587.db2.gz OQQRWYYWLADHSM-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001483765474 1190999533 /nfs/dbraw/zinc/99/95/33/1190999533.db2.gz YSQFFDZDGHDROW-UHFFFAOYSA-N 2 0 337.414 2.045 10 0 EEAERP O=C(NCC1([NH2+]CCc2ccc(Cl)cc2)CC1)C12CC[NH+](CC1)C2 ZINC001483784331 1191026535 /nfs/dbraw/zinc/02/65/35/1191026535.db2.gz SBMWETVFZKDXAZ-UHFFFAOYSA-N 2 0 347.890 2.217 10 0 EEAERP COCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001483813255 1191058524 /nfs/dbraw/zinc/05/85/24/1191058524.db2.gz KUCZOYONOZTECY-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C[C@H]1C ZINC001483915580 1191115143 /nfs/dbraw/zinc/11/51/43/1191115143.db2.gz YCUFYLONBSEKLZ-GDBMZVCRSA-N 2 0 348.491 2.361 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001483907867 1191120102 /nfs/dbraw/zinc/12/01/02/1191120102.db2.gz FMVBQGGQAMZERP-LSDHHAIUSA-N 2 0 336.480 2.219 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001483907864 1191120110 /nfs/dbraw/zinc/12/01/10/1191120110.db2.gz FMVBQGGQAMZERP-CABCVRRESA-N 2 0 336.480 2.219 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F)C1CCC1 ZINC001483934327 1191123262 /nfs/dbraw/zinc/12/32/62/1191123262.db2.gz OPBORUNDSNEXAS-SFHVURJKSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001484000578 1191150502 /nfs/dbraw/zinc/15/05/02/1191150502.db2.gz HGQOAZTWILUJQS-DJIMGWMZSA-N 2 0 348.491 2.088 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001484058770 1191180787 /nfs/dbraw/zinc/18/07/87/1191180787.db2.gz UPCMUDWMEUGZKL-MRXNPFEDSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001484069939 1191190889 /nfs/dbraw/zinc/19/08/89/1191190889.db2.gz CWKBIHQEUOZBTN-AZUAARDMSA-N 2 0 345.462 2.489 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)C[C@@H](C)n3ccnc3)C2)no1 ZINC001484113230 1191213689 /nfs/dbraw/zinc/21/36/89/1191213689.db2.gz DVSYSWNKVQKQED-KDOFPFPSSA-N 2 0 345.447 2.159 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCCCCF)CCC2(F)F)C1 ZINC001484195567 1191267604 /nfs/dbraw/zinc/26/76/04/1191267604.db2.gz HZILFOJIPNRRKW-CABCVRRESA-N 2 0 349.441 2.151 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)c1 ZINC001484700567 1191472217 /nfs/dbraw/zinc/47/22/17/1191472217.db2.gz OUCYQVJFLXIAFI-IEBWSBKVSA-N 2 0 347.503 2.213 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001484726773 1191486203 /nfs/dbraw/zinc/48/62/03/1191486203.db2.gz RFXCMGUIVIZIGF-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(C[NH+](CC3CCCC3)C2)C1 ZINC001484797936 1191529945 /nfs/dbraw/zinc/52/99/45/1191529945.db2.gz VPHABHJGTGWJMK-MSOLQXFVSA-N 2 0 349.519 2.011 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484809184 1191531975 /nfs/dbraw/zinc/53/19/75/1191531975.db2.gz CGIKQYSHIIWVCX-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485100806 1191651968 /nfs/dbraw/zinc/65/19/68/1191651968.db2.gz KHVLRMBHHFWTIL-UHFFFAOYSA-N 2 0 347.478 2.460 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]Cc2coc(C3CC3)n2)C1)C1CCC1 ZINC001485094948 1191653808 /nfs/dbraw/zinc/65/38/08/1191653808.db2.gz WFYPKPZYMMCUDF-UHFFFAOYSA-N 2 0 346.475 2.021 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)C1 ZINC001485107135 1191656629 /nfs/dbraw/zinc/65/66/29/1191656629.db2.gz GRFNLWZPDBSBIV-KLHKWILBSA-N 2 0 347.478 2.194 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485228919 1191698297 /nfs/dbraw/zinc/69/82/97/1191698297.db2.gz FZQOQGSUCRKRJO-IAGOWNOFSA-N 2 0 332.492 2.249 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001485240691 1191706006 /nfs/dbraw/zinc/70/60/06/1191706006.db2.gz LZAMBNGOWZWKMW-UHFFFAOYSA-N 2 0 347.425 2.394 10 0 EEAERP Cc1ccccc1OCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485288955 1191720907 /nfs/dbraw/zinc/72/09/07/1191720907.db2.gz XUTOSRFXHHZPOT-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001485356830 1191760678 /nfs/dbraw/zinc/76/06/78/1191760678.db2.gz GJDGICMYSDSBBQ-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485485365 1191815097 /nfs/dbraw/zinc/81/50/97/1191815097.db2.gz PVCFSQGUUQLTHD-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001486221548 1193759339 /nfs/dbraw/zinc/75/93/39/1193759339.db2.gz TUHBBKHLZVVLMG-MSOLQXFVSA-N 2 0 347.503 2.410 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC001486239462 1193765852 /nfs/dbraw/zinc/76/58/52/1193765852.db2.gz BQACHTJCOFLHIR-KRWDZBQOSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1csc(C[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)n1 ZINC001486240258 1193766966 /nfs/dbraw/zinc/76/69/66/1193766966.db2.gz KOAGHWSZOZNCSS-AWEZNQCLSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486241791 1193768698 /nfs/dbraw/zinc/76/86/98/1193768698.db2.gz ZITQBHUVWXLKSO-IAGOWNOFSA-N 2 0 341.540 2.072 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1)[NH+](CC)CC ZINC001486476097 1193989645 /nfs/dbraw/zinc/98/96/45/1193989645.db2.gz MIJYKRXVGHUHHH-OFLPRAFFSA-N 2 0 336.480 2.182 10 0 EEAERP CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC([NH2+]CCCF)C1 ZINC001486476807 1193990206 /nfs/dbraw/zinc/99/02/06/1193990206.db2.gz ONOZYVPUGYGIFC-MQBCKMQZSA-N 2 0 331.451 2.138 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001486483737 1193997490 /nfs/dbraw/zinc/99/74/90/1193997490.db2.gz PRRGFYINLYXMDK-UHFFFAOYSA-N 2 0 346.519 2.172 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1c(F)cccc1F)[NH+](C)C ZINC001273123609 1194407037 /nfs/dbraw/zinc/40/70/37/1194407037.db2.gz XRZMKECJFGFEJS-MLGOLLRUSA-N 2 0 327.419 2.289 10 0 EEAERP COCC[NH2+][C@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001691671218 1194414739 /nfs/dbraw/zinc/41/47/39/1194414739.db2.gz BTULKAHAZUTLSH-CQSZACIVSA-N 2 0 344.459 2.119 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)C[C@H]2CCC(F)(F)C2)CC1 ZINC001410246020 1197631215 /nfs/dbraw/zinc/63/12/15/1197631215.db2.gz DPVFSMJTDRGJOK-AWEZNQCLSA-N 2 0 331.451 2.296 10 0 EEAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001410253986 1197637296 /nfs/dbraw/zinc/63/72/96/1197637296.db2.gz PKMSJNMGSVXCIH-INIZCTEOSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001410430920 1197876599 /nfs/dbraw/zinc/87/65/99/1197876599.db2.gz DZCIUWZGQXBYJU-ZBFHGGJFSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001410457168 1197934048 /nfs/dbraw/zinc/93/40/48/1197934048.db2.gz SSMLXJGHIQTZKY-MAUKXSAKSA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410489584 1198043472 /nfs/dbraw/zinc/04/34/72/1198043472.db2.gz UFTUPCGBXOGXNR-ZFWWWQNUSA-N 2 0 339.430 2.243 10 0 EEAERP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155130 1198062251 /nfs/dbraw/zinc/06/22/51/1198062251.db2.gz LRVNSMCWQIGZBT-CQSZACIVSA-N 2 0 334.464 2.423 10 0 EEAERP CC(C)(O)C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000872200339 1198081655 /nfs/dbraw/zinc/08/16/55/1198081655.db2.gz ZPHNYQUGZDAJIN-OAHLLOKOSA-N 2 0 326.506 2.072 10 0 EEAERP Brc1cccc2c1C[C@H]([NH2+]CC1CC[NH2+]CC1)CO2 ZINC000873222777 1198534961 /nfs/dbraw/zinc/53/49/61/1198534961.db2.gz FTOGOQCUWMREPS-LBPRGKRZSA-N 2 0 325.250 2.342 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1ccccn1)CC2 ZINC001410901438 1198557767 /nfs/dbraw/zinc/55/77/67/1198557767.db2.gz KFEXVGOUCLQNEG-HKUYNNGSSA-N 2 0 330.476 2.037 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncc(C)o3)[C@H]2C1 ZINC001410912760 1198566614 /nfs/dbraw/zinc/56/66/14/1198566614.db2.gz FZPVUAPJZGGLLH-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@@H](C(F)(F)F)C1 ZINC001410998125 1198674784 /nfs/dbraw/zinc/67/47/84/1198674784.db2.gz APOAUPUGHQVKIE-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)OCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001411233874 1198944651 /nfs/dbraw/zinc/94/46/51/1198944651.db2.gz HVBFMDQAFZNCQH-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C3CC[NH+](C/C=C\Cl)CC3)CC2)C1 ZINC001411258734 1198991196 /nfs/dbraw/zinc/99/11/96/1198991196.db2.gz YMFYDMYZUDMLLW-HTUWBFOXSA-N 2 0 339.911 2.442 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)CCCC[NH+]1CCCC1 ZINC000869765343 1200265297 /nfs/dbraw/zinc/26/52/97/1200265297.db2.gz JNAFDQBZSRXFDO-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1C[NH+](C)C ZINC000870021358 1200411723 /nfs/dbraw/zinc/41/17/23/1200411723.db2.gz OWTFCBQCHBZWSD-QZTJIDSGSA-N 2 0 340.471 2.046 10 0 EEAERP CSCc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870023877 1200412997 /nfs/dbraw/zinc/41/29/97/1200412997.db2.gz DWNZGLJCPHHCON-QZTJIDSGSA-N 2 0 349.544 2.361 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C[C@H]1C[NH+](C)C ZINC000870022820 1200413332 /nfs/dbraw/zinc/41/33/32/1200413332.db2.gz ZGSMZKUSMOVKOO-AQNXPRMDSA-N 2 0 343.515 2.378 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cs1 ZINC001672853548 1201017273 /nfs/dbraw/zinc/01/72/73/1201017273.db2.gz RTVYSUYTZHXMJN-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709872 1201586097 /nfs/dbraw/zinc/58/60/97/1201586097.db2.gz MJNFBDMZCUDEJB-KSYCFECVSA-N 2 0 335.835 2.268 10 0 EEAERP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1 ZINC000868301151 1201786862 /nfs/dbraw/zinc/78/68/62/1201786862.db2.gz WIULLDUMESVZRD-DAIYRKSASA-N 2 0 346.475 2.024 10 0 EEAERP CN1Cc2ccccc2[C@H]1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000868691662 1201860411 /nfs/dbraw/zinc/86/04/11/1201860411.db2.gz LSLXYPQNINBKOX-GOSISDBHSA-N 2 0 330.476 2.347 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001274088135 1204364044 /nfs/dbraw/zinc/36/40/44/1204364044.db2.gz GEPZXXNYKPCZGD-OOFWQKGWSA-N 2 0 327.472 2.420 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001274345432 1205006195 /nfs/dbraw/zinc/00/61/95/1205006195.db2.gz SYZWUGKLMPGDKB-KRWDZBQOSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001274608265 1205095785 /nfs/dbraw/zinc/09/57/85/1205095785.db2.gz DWFAJXFNSJBOLQ-MJSXRHKHSA-N 2 0 343.462 2.414 10 0 EEAERP CCCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001274863391 1205191582 /nfs/dbraw/zinc/19/15/82/1205191582.db2.gz VOJUBKTZLUHTIK-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001275003956 1205232088 /nfs/dbraw/zinc/23/20/88/1205232088.db2.gz HFERLKMUXZRXSM-LPXAQJHASA-N 2 0 333.879 2.390 10 0 EEAERP COCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275024910 1205237545 /nfs/dbraw/zinc/23/75/45/1205237545.db2.gz XRNDHNMDYRAAII-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275107990 1205257985 /nfs/dbraw/zinc/25/79/85/1205257985.db2.gz HDICOCAAEIYESI-KZNAEPCWSA-N 2 0 339.524 2.065 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275108318 1205258242 /nfs/dbraw/zinc/25/82/42/1205258242.db2.gz KMRNHBZGQQCWFM-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001275149875 1205267944 /nfs/dbraw/zinc/26/79/44/1205267944.db2.gz PGEBAXISAHNYMR-DZGCQCFKSA-N 2 0 338.883 2.202 10 0 EEAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC001412478703 1205734706 /nfs/dbraw/zinc/73/47/06/1205734706.db2.gz CJMBEUNMTYYLRI-IBGZPJMESA-N 2 0 329.488 2.451 10 0 EEAERP COCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001276212740 1205838998 /nfs/dbraw/zinc/83/89/98/1205838998.db2.gz BTESDLUBIPKKCY-UHFFFAOYSA-N 2 0 344.459 2.311 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cn2)CC1 ZINC000924624932 1206006183 /nfs/dbraw/zinc/00/61/83/1206006183.db2.gz DDTLOPWOXQSDOK-QUCCMNQESA-N 2 0 344.503 2.128 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCN(CC[NH+](C)C)CC2)n(C)n1 ZINC000924634238 1206007770 /nfs/dbraw/zinc/00/77/70/1206007770.db2.gz CEESOKCVSKNEHW-XLIONFOSSA-N 2 0 347.551 2.055 10 0 EEAERP C[C@H]1CC2(CC([NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)C2)CO1 ZINC000924919139 1206050939 /nfs/dbraw/zinc/05/09/39/1206050939.db2.gz FWIJZYZMIBSIER-IJNIYJAUSA-N 2 0 345.487 2.025 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccns1 ZINC000924944324 1206053985 /nfs/dbraw/zinc/05/39/85/1206053985.db2.gz XFTAMBBVNCIMIR-HNNXBMFYSA-N 2 0 346.504 2.186 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925482706 1206118047 /nfs/dbraw/zinc/11/80/47/1206118047.db2.gz SWBDIKLZQRVRMF-AEGPPILISA-N 2 0 339.505 2.151 10 0 EEAERP O=C(NCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1F ZINC000925497485 1206119580 /nfs/dbraw/zinc/11/95/80/1206119580.db2.gz ZWZAQRDFXUWBAS-WMZOPIPTSA-N 2 0 333.451 2.313 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000925563732 1206128597 /nfs/dbraw/zinc/12/85/97/1206128597.db2.gz FBTUKKLIESUMHA-ROUUACIJSA-N 2 0 345.487 2.155 10 0 EEAERP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925571295 1206129873 /nfs/dbraw/zinc/12/98/73/1206129873.db2.gz ZCZHNMKDDIUVRE-RLLQIKCJSA-N 2 0 332.488 2.493 10 0 EEAERP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2=O)cc1 ZINC000925602702 1206134470 /nfs/dbraw/zinc/13/44/70/1206134470.db2.gz WLNFIZKRCORNNE-NUJGCVRESA-N 2 0 345.487 2.292 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C1 ZINC000925728809 1206146891 /nfs/dbraw/zinc/14/68/91/1206146891.db2.gz WUPOLIFUVHKHAF-DLBZAZTESA-N 2 0 330.476 2.207 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C[C@@H]([NH3+])C1 ZINC000925728812 1206147286 /nfs/dbraw/zinc/14/72/86/1206147286.db2.gz WUPOLIFUVHKHAF-SJORKVTESA-N 2 0 330.476 2.207 10 0 EEAERP C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cccc(N2CCOCC2)c1 ZINC000925780030 1206153541 /nfs/dbraw/zinc/15/35/41/1206153541.db2.gz QOJKIFXBZJFWTH-GOEBONIOSA-N 2 0 339.430 2.419 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800485 1206154952 /nfs/dbraw/zinc/15/49/52/1206154952.db2.gz SBBJZLIHCAULBA-IIAWOOMASA-N 2 0 339.505 2.344 10 0 EEAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)c1 ZINC000925811085 1206156401 /nfs/dbraw/zinc/15/64/01/1206156401.db2.gz QRCKRXPNSPRVPO-INIZCTEOSA-N 2 0 332.492 2.033 10 0 EEAERP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845402 1206159453 /nfs/dbraw/zinc/15/94/53/1206159453.db2.gz GQWMNSZKDJVEJT-KRWDZBQOSA-N 2 0 335.467 2.487 10 0 EEAERP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848552 1206160127 /nfs/dbraw/zinc/16/01/27/1206160127.db2.gz IGKFMIUISHTZLP-QGZVFWFLSA-N 2 0 347.503 2.402 10 0 EEAERP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925856095 1206161867 /nfs/dbraw/zinc/16/18/67/1206161867.db2.gz PLBJBBSFKRMGGT-HIFRSBDPSA-N 2 0 348.443 2.040 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000925914900 1206167702 /nfs/dbraw/zinc/16/77/02/1206167702.db2.gz GONVYLQKPJSPJN-OLZOCXBDSA-N 2 0 337.493 2.106 10 0 EEAERP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000926166255 1206200593 /nfs/dbraw/zinc/20/05/93/1206200593.db2.gz VUGWSMOTXPHOJT-HZPDHXFCSA-N 2 0 334.489 2.107 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)[C@@H]1SC ZINC000926638719 1206233802 /nfs/dbraw/zinc/23/38/02/1206233802.db2.gz LIOXXPAYQSYEFS-RPDHEGIESA-N 2 0 328.522 2.127 10 0 EEAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4C[C@H]5COC[C@H]5O4)C3)C2)cc1 ZINC000930462698 1206560069 /nfs/dbraw/zinc/56/00/69/1206560069.db2.gz ZLGIGXZNZIGUDP-BURNTYAHSA-N 2 0 342.483 2.388 10 0 EEAERP CC(C)C[N@H+](C[C@@H](O)CCC1(O)CCC1)CC1CC[NH+](C)CC1 ZINC000931564612 1207413599 /nfs/dbraw/zinc/41/35/99/1207413599.db2.gz LSSXYEZEIDZVPK-SFHVURJKSA-N 2 0 326.525 2.342 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COC1CC[NH+](C)CC1 ZINC000931716020 1207447257 /nfs/dbraw/zinc/44/72/57/1207447257.db2.gz FIMHTIOFGGPKSS-UHFFFAOYSA-N 2 0 347.503 2.208 10 0 EEAERP CN(C)c1ccc(NC(=O)CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000795311781 1212501159 /nfs/dbraw/zinc/50/11/59/1212501159.db2.gz SPCUCYVAWKBRPY-IBGZPJMESA-N 2 0 330.476 2.109 10 0 EEAERP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C12CC[NH+](CC1)C2 ZINC000900435710 1234353142 /nfs/dbraw/zinc/35/31/42/1234353142.db2.gz CVTNFPWLUAHTKU-UHFFFAOYSA-N 2 0 345.512 2.312 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@H](O)CN3C)c2C1 ZINC000901152573 1235288405 /nfs/dbraw/zinc/28/84/05/1235288405.db2.gz PDXJVRZKQPWJBE-HNAYVOBHSA-N 2 0 331.460 2.052 10 0 EEAERP C[NH+](C)CC[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000903376376 1240343706 /nfs/dbraw/zinc/34/37/06/1240343706.db2.gz CSEFTPAKSOVBAI-WOJBJXKFSA-N 2 0 346.519 2.307 10 0 EEAERP CC[NH+](CC)CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000903884477 1242313265 /nfs/dbraw/zinc/31/32/65/1242313265.db2.gz AWTKGEGFYWCAMQ-QGZVFWFLSA-N 2 0 336.528 2.002 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000903931585 1242550431 /nfs/dbraw/zinc/55/04/31/1242550431.db2.gz FSSWLDDREPLONC-DLBZAZTESA-N 2 0 340.475 2.109 10 0 EEAERP Cc1ccccc1NC(=O)C[C@@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972367 1242803953 /nfs/dbraw/zinc/80/39/53/1242803953.db2.gz HHWRLYOHXDKBLU-IAGOWNOFSA-N 2 0 345.487 2.460 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCO1 ZINC001691744317 1243330586 /nfs/dbraw/zinc/33/05/86/1243330586.db2.gz NDHNFSDOPOCVEL-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001490924702 1258485197 /nfs/dbraw/zinc/48/51/97/1258485197.db2.gz KZBPUOMRYYCWGL-HDJSIYSDSA-N 2 0 339.430 2.086 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001491030430 1258587990 /nfs/dbraw/zinc/58/79/90/1258587990.db2.gz VLUBFJWMHKUKTQ-XWTMOSNGSA-N 2 0 337.508 2.057 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001491070909 1258637553 /nfs/dbraw/zinc/63/75/53/1258637553.db2.gz NOVWKPSDZKIACH-TXEJJXNPSA-N 2 0 329.897 2.480 10 0 EEAERP CC(C)COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001491212950 1258787650 /nfs/dbraw/zinc/78/76/50/1258787650.db2.gz FLBOVPKZQXEWPW-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001491235725 1258824144 /nfs/dbraw/zinc/82/41/44/1258824144.db2.gz GMBAUKVEIPNXCD-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001491231094 1258833451 /nfs/dbraw/zinc/83/34/51/1258833451.db2.gz RDFINLINFDKNJL-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001491363871 1258993921 /nfs/dbraw/zinc/99/39/21/1258993921.db2.gz HWXRDQSSPXUPKC-UHFFFAOYSA-N 2 0 347.503 2.068 10 0 EEAERP Cc1nocc1C[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001491370932 1259012154 /nfs/dbraw/zinc/01/21/54/1259012154.db2.gz HKJQCPGTALOFLK-UHFFFAOYSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/c1ccccc1 ZINC001491457192 1259100941 /nfs/dbraw/zinc/10/09/41/1259100941.db2.gz OCKQOHSWVJGCKS-HPWWWVCSSA-N 2 0 327.472 2.136 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccc(Cl)cc1)[NH+](C)C ZINC001491495706 1259145842 /nfs/dbraw/zinc/14/58/42/1259145842.db2.gz PRJXMUSTMGQBNO-XJKSGUPXSA-N 2 0 325.884 2.317 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001490901928 1287294543 /nfs/dbraw/zinc/29/45/43/1287294543.db2.gz ARNDCGNAZJKBEM-WKILWMFISA-N 2 0 325.472 2.239 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000851744589 1277739646 /nfs/dbraw/zinc/73/96/46/1277739646.db2.gz JOCBBHFEQCCBIR-OAHLLOKOSA-N 2 0 336.413 2.376 10 0 EEAERP CCC1([NH2+]CCC[C@@H]2CCOC2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001273782871 1285658820 /nfs/dbraw/zinc/65/88/20/1285658820.db2.gz PNCZMESCKRVDOM-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)Cc1ncc[nH]1)Cc1ccc(Cl)nc1 ZINC001490352474 1291177229 /nfs/dbraw/zinc/17/72/29/1291177229.db2.gz ZJSIAEMILGGRSL-UHFFFAOYSA-N 2 0 335.839 2.029 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCCO1 ZINC001490336522 1291231693 /nfs/dbraw/zinc/23/16/93/1291231693.db2.gz WWIZHIBORBJOQD-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](C/C=C\Cl)CC2 ZINC001490605484 1291515897 /nfs/dbraw/zinc/51/58/97/1291515897.db2.gz FQXOMWBULZSUMH-ZHMISCPASA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001490607453 1291518418 /nfs/dbraw/zinc/51/84/18/1291518418.db2.gz CFGPLMPYRMLPGA-OAHLLOKOSA-N 2 0 343.462 2.343 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2)[NH+]1CCCC1 ZINC001490609021 1291519216 /nfs/dbraw/zinc/51/92/16/1291519216.db2.gz IPTKILDHHCVLEL-SJORKVTESA-N 2 0 339.499 2.437 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)cc1F ZINC001490708624 1291592371 /nfs/dbraw/zinc/59/23/71/1291592371.db2.gz CWXGPIFRRFHJTO-KUHUBIRLSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852857959 1292218092 /nfs/dbraw/zinc/21/80/92/1292218092.db2.gz LFAVBXKCIYRCTE-UHFFFAOYSA-N 2 0 327.472 2.385 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857864845 1293934468 /nfs/dbraw/zinc/93/44/68/1293934468.db2.gz JTFLBQVMUKHVFZ-QZTJIDSGSA-N 2 0 326.444 2.144 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281059 1294070269 /nfs/dbraw/zinc/07/02/69/1294070269.db2.gz CKWRQELYAJGUDN-GJZGRUSLSA-N 2 0 341.496 2.085 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859930880 1294710963 /nfs/dbraw/zinc/71/09/63/1294710963.db2.gz ILWLFZGTPLLVCV-YSIASYRMSA-N 2 0 341.499 2.322 10 0 EEAERP C[C@H](Cc1ccccc1)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643603 1296361229 /nfs/dbraw/zinc/36/12/29/1296361229.db2.gz PPSLETNGWVKGFR-LZQZEXGQSA-N 2 0 343.471 2.122 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001490928324 1299584675 /nfs/dbraw/zinc/58/46/75/1299584675.db2.gz MGBZKBBIMIYNTO-LPWJVIDDSA-N 2 0 336.307 2.147 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001277335352 1302478168 /nfs/dbraw/zinc/47/81/68/1302478168.db2.gz MZRIBGZBDCPGFE-MAUKXSAKSA-N 2 0 346.519 2.415 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001491558325 1303520037 /nfs/dbraw/zinc/52/00/37/1303520037.db2.gz JFMCENQESHJEOY-QFBILLFUSA-N 2 0 346.519 2.415 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001277763136 1304362544 /nfs/dbraw/zinc/36/25/44/1304362544.db2.gz JAPNMDPQTQWCCG-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)n1 ZINC001277974242 1305426357 /nfs/dbraw/zinc/42/63/57/1305426357.db2.gz UAPOPEBZDZKNEF-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CCCOC)CC2)C1 ZINC001278072742 1305864973 /nfs/dbraw/zinc/86/49/73/1305864973.db2.gz YQTZJTYFJFFBLI-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001278087428 1305907936 /nfs/dbraw/zinc/90/79/36/1305907936.db2.gz GDKMIVYRXWPSHV-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@@H]1C ZINC001278308975 1309256055 /nfs/dbraw/zinc/25/60/55/1309256055.db2.gz SWVSNLTYYMQRFR-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP C[NH+](C)CCCCCCCNC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000841739236 1315606201 /nfs/dbraw/zinc/60/62/01/1315606201.db2.gz DNAXNFOQWMEZAA-SFHVURJKSA-N 2 0 347.507 2.250 10 0 EEAERP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(=O)C1CC1 ZINC000843127798 1315850188 /nfs/dbraw/zinc/85/01/88/1315850188.db2.gz SZWJMSLDWDZITC-CALCHBBNSA-N 2 0 344.455 2.442 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCCCF)CC1 ZINC001278598266 1317321123 /nfs/dbraw/zinc/32/11/23/1317321123.db2.gz NPUHOSNYVLJDSK-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCCc3ccccc3)C2)C1 ZINC001263850154 1322537049 /nfs/dbraw/zinc/53/70/49/1322537049.db2.gz HZACDJNIKJRNJX-AQNXPRMDSA-N 2 0 343.515 2.445 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001264189894 1322656579 /nfs/dbraw/zinc/65/65/79/1322656579.db2.gz NXKOJKDQOZRFTK-CQSZACIVSA-N 2 0 338.521 2.258 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235614 1323002545 /nfs/dbraw/zinc/00/25/45/1323002545.db2.gz SSOOKXZPNMMGNY-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001265503475 1323186263 /nfs/dbraw/zinc/18/62/63/1323186263.db2.gz WEGDFVHJPBWQIX-SHTZXODSSA-N 2 0 339.430 2.434 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H]1CCCC(F)(F)C1 ZINC001265971744 1323532512 /nfs/dbraw/zinc/53/25/12/1323532512.db2.gz YZGGKEPJVNWLIY-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)COCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001266187237 1323752673 /nfs/dbraw/zinc/75/26/73/1323752673.db2.gz PJIJRRATZFHPRL-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccon1 ZINC001266214445 1323782541 /nfs/dbraw/zinc/78/25/41/1323782541.db2.gz CRFTYGZBPOUPLN-ZWKOTPCHSA-N 2 0 348.491 2.408 10 0 EEAERP CCOCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001279222704 1323852899 /nfs/dbraw/zinc/85/28/99/1323852899.db2.gz SWIWXTYZMZWTAB-BCDXTJNWSA-N 2 0 349.519 2.011 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279588754 1323950333 /nfs/dbraw/zinc/95/03/33/1323950333.db2.gz UOWPOAIDRIHDSZ-KZNAEPCWSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001280448919 1324231729 /nfs/dbraw/zinc/23/17/29/1324231729.db2.gz BDXJLHWDIILEFP-FGTMMUONSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280746806 1324472912 /nfs/dbraw/zinc/47/29/12/1324472912.db2.gz LLAWPUNAGBDWNC-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(CN2C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)no1 ZINC001276625196 1324862190 /nfs/dbraw/zinc/86/21/90/1324862190.db2.gz SMGODSWNMICVEQ-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1 ZINC001276678692 1325160439 /nfs/dbraw/zinc/16/04/39/1325160439.db2.gz RBTVWOGFIRATAO-HHARLNAUSA-N 2 0 330.476 2.388 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001283493108 1326097433 /nfs/dbraw/zinc/09/74/33/1326097433.db2.gz MOPROBAOTQTOKZ-PMACEKPBSA-N 2 0 343.515 2.458 10 0 EEAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001283912876 1326317253 /nfs/dbraw/zinc/31/72/53/1326317253.db2.gz GEQCIBVYRDRQSG-FUHWJXTLSA-N 2 0 349.523 2.074 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001284349660 1326514109 /nfs/dbraw/zinc/51/41/09/1326514109.db2.gz ZMQYVJBRPPCSNP-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284737806 1326689833 /nfs/dbraw/zinc/68/98/33/1326689833.db2.gz NSHGRIAWDRSIOS-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC001285015713 1326829988 /nfs/dbraw/zinc/82/99/88/1326829988.db2.gz NTGLZZYDEPZNLH-QGZVFWFLSA-N 2 0 333.451 2.449 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491581016 1330172531 /nfs/dbraw/zinc/17/25/31/1330172531.db2.gz YZOMUPZSFHDUFJ-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491888854 1330290579 /nfs/dbraw/zinc/29/05/79/1330290579.db2.gz KRUPMGVFIMAAKI-RBUKOAKNSA-N 2 0 347.503 2.415 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC001491891741 1330291871 /nfs/dbraw/zinc/29/18/71/1330291871.db2.gz NPNZOZUZEOHZQN-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1c(F)cccc1F ZINC001492113375 1330482942 /nfs/dbraw/zinc/48/29/42/1330482942.db2.gz SHDBVXWSPRDGOG-CYBMUJFWSA-N 2 0 337.414 2.045 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1CCCF)C12CCC[NH+]1CCC2 ZINC001492160161 1331023672 /nfs/dbraw/zinc/02/36/72/1331023672.db2.gz QXPGCZCKHLPKBC-INIZCTEOSA-N 2 0 325.472 2.335 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316772454 1331829795 /nfs/dbraw/zinc/82/97/95/1331829795.db2.gz OOARGIOYKDHCFX-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1nc(C)c(C)s1 ZINC001316887743 1331953555 /nfs/dbraw/zinc/95/35/55/1331953555.db2.gz SFYXPVHJFUWEJJ-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCCC2CCOCC2)C1 ZINC001316995348 1332036168 /nfs/dbraw/zinc/03/61/68/1332036168.db2.gz PTTRKYFPCKRMRW-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(CCC[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001317069068 1332068446 /nfs/dbraw/zinc/06/84/46/1332068446.db2.gz DOZPSMRDGZZBBU-SFHVURJKSA-N 2 0 347.503 2.159 10 0 EEAERP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001317148018 1332099918 /nfs/dbraw/zinc/09/99/18/1332099918.db2.gz BKWORENIOVJIPK-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001317162985 1332106742 /nfs/dbraw/zinc/10/67/42/1332106742.db2.gz YBXCUMLZZDSVLI-QTONRWBISA-N 2 0 327.900 2.299 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCCCF)C2)CC1 ZINC001317354367 1332191766 /nfs/dbraw/zinc/19/17/66/1332191766.db2.gz IGYYLLGQWCXRHX-IRXDYDNUSA-N 2 0 327.488 2.485 10 0 EEAERP CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317374474 1332202022 /nfs/dbraw/zinc/20/20/22/1332202022.db2.gz DNCHUWTXXARHJN-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP COc1ccc(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317572443 1332303552 /nfs/dbraw/zinc/30/35/52/1332303552.db2.gz GFFBHEOPYIENMU-GOSISDBHSA-N 2 0 347.503 2.461 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001317595910 1332316378 /nfs/dbraw/zinc/31/63/78/1332316378.db2.gz LZXFWSQQQLHRTM-UHFFFAOYSA-N 2 0 331.504 2.324 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001317653344 1332351226 /nfs/dbraw/zinc/35/12/26/1332351226.db2.gz FIZBEKQMDAGVEE-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP COCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317837365 1332425541 /nfs/dbraw/zinc/42/55/41/1332425541.db2.gz RCHOUHBNQCJEMI-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317993842 1332458724 /nfs/dbraw/zinc/45/87/24/1332458724.db2.gz DQGHVRVMXNEMEQ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001318299680 1332504464 /nfs/dbraw/zinc/50/44/64/1332504464.db2.gz KNHHAHPELXAZBC-SFHVURJKSA-N 2 0 340.471 2.474 10 0 EEAERP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001318685720 1332577241 /nfs/dbraw/zinc/57/72/41/1332577241.db2.gz JULGTAVHDSPWFJ-HOCLYGCPSA-N 2 0 347.425 2.155 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)co1 ZINC001318914700 1332622832 /nfs/dbraw/zinc/62/28/32/1332622832.db2.gz HFRDDRPCPIPLFT-OAHLLOKOSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2C)CC1)[NH+](C)C ZINC001318928470 1332625523 /nfs/dbraw/zinc/62/55/23/1332625523.db2.gz HRIRTKHWYBWYSJ-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)n1 ZINC001318978879 1332631736 /nfs/dbraw/zinc/63/17/36/1332631736.db2.gz LKWZSGZNRIANPN-QAQDUYKDSA-N 2 0 347.507 2.034 10 0 EEAERP O=C(N[C@H](C[NH2+]CCCF)C1CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001319651714 1332734112 /nfs/dbraw/zinc/73/41/12/1332734112.db2.gz PMJKUPXVWYABRH-QZTJIDSGSA-N 2 0 339.499 2.343 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320527900 1332903678 /nfs/dbraw/zinc/90/36/78/1332903678.db2.gz DCZNPGAFEUXMLY-YJBOKZPZSA-N 2 0 348.491 2.456 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320633704 1332925862 /nfs/dbraw/zinc/92/58/62/1332925862.db2.gz KANXSTQEWMTTIM-OCCSQVGLSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001321336783 1333077581 /nfs/dbraw/zinc/07/75/81/1333077581.db2.gz MZNVURZJYWMFDA-CHYADLBTSA-N 2 0 344.503 2.309 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001322033628 1333199224 /nfs/dbraw/zinc/19/92/24/1333199224.db2.gz WHZRXXPUOQASEV-SFHVURJKSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001322663211 1333303464 /nfs/dbraw/zinc/30/34/64/1333303464.db2.gz YDQSKDSSHXPVHX-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001322852371 1333341163 /nfs/dbraw/zinc/34/11/63/1333341163.db2.gz NEIWDPGDWWJEOW-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001324097766 1333608620 /nfs/dbraw/zinc/60/86/20/1333608620.db2.gz MXVFKVZQXCEAGE-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001324097763 1333608688 /nfs/dbraw/zinc/60/86/88/1333608688.db2.gz MXVFKVZQXCEAGE-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001325457482 1333890104 /nfs/dbraw/zinc/89/01/04/1333890104.db2.gz SFIGTFRFPMCYHB-AEFFLSMTSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cncs1 ZINC001325582251 1333916979 /nfs/dbraw/zinc/91/69/79/1333916979.db2.gz PNYNNSUCWUIELV-CABCVRRESA-N 2 0 338.521 2.059 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ncccc2C)C1 ZINC001326401081 1334085098 /nfs/dbraw/zinc/08/50/98/1334085098.db2.gz DVPMGSNNEBTDGU-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cnccc2OC)C[C@@H]1C ZINC001328255027 1334427172 /nfs/dbraw/zinc/42/71/72/1334427172.db2.gz GXSKQQFHNCBWDC-DOTOQJQBSA-N 2 0 349.475 2.028 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCOc1ccccc1 ZINC001329443401 1334652210 /nfs/dbraw/zinc/65/22/10/1334652210.db2.gz ZYKLKYSZSALADF-ZHALLVOQSA-N 2 0 347.503 2.232 10 0 EEAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001329514102 1334666250 /nfs/dbraw/zinc/66/62/50/1334666250.db2.gz AGUYBHQQMPRKMH-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)=CC[N@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001333354952 1336018769 /nfs/dbraw/zinc/01/87/69/1336018769.db2.gz TXOUOZAVTKINKW-UHFFFAOYSA-N 2 0 349.519 2.059 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2cccc(F)c2)CC1 ZINC001333432691 1336045840 /nfs/dbraw/zinc/04/58/40/1336045840.db2.gz BONWLOQVJCMBJL-UHFFFAOYSA-N 2 0 333.451 2.416 10 0 EEAERP CC(C)[C@@H](O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001434469262 1341851238 /nfs/dbraw/zinc/85/12/38/1341851238.db2.gz KRHMDQVGGDATDD-FQEVSTJZSA-N 2 0 333.520 2.143 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1ccc(OC)cc1)[NH+](C)C ZINC001436329651 1342032873 /nfs/dbraw/zinc/03/28/73/1342032873.db2.gz MQSFTQPBHWQXBZ-PKOBYXMFSA-N 2 0 347.503 2.111 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CC/C=C/c2ccccc2)C1 ZINC001499119843 1342108232 /nfs/dbraw/zinc/10/82/32/1342108232.db2.gz IPDRVQGRSORUSN-OIFJWEAHSA-N 2 0 327.472 2.232 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001505716783 1342238505 /nfs/dbraw/zinc/23/85/05/1342238505.db2.gz LMSDDJLSDQCXRE-KBPBESRZSA-N 2 0 331.451 2.246 10 0 EEAERP Cc1cccnc1C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001676001348 1357085573 /nfs/dbraw/zinc/08/55/73/1357085573.db2.gz IKKYFQBAMPAEGS-IAGOWNOFSA-N 2 0 332.492 2.106 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566871570 1342642949 /nfs/dbraw/zinc/64/29/49/1342642949.db2.gz GFGHQMAFMOOCLI-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001566893790 1342647695 /nfs/dbraw/zinc/64/76/95/1342647695.db2.gz OXDLFZUFMZFOHG-MGPQQGTHSA-N 2 0 348.318 2.474 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001566909946 1342650486 /nfs/dbraw/zinc/65/04/86/1342650486.db2.gz IOOYAFQGPCFHSG-IBGZPJMESA-N 2 0 331.504 2.399 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1 ZINC001567663057 1342807980 /nfs/dbraw/zinc/80/79/80/1342807980.db2.gz FUOGXLJYQIMNEB-RBUKOAKNSA-N 2 0 347.503 2.079 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567731661 1342826398 /nfs/dbraw/zinc/82/63/98/1342826398.db2.gz POAZPQKCHMNHRA-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568775918 1342853845 /nfs/dbraw/zinc/85/38/45/1342853845.db2.gz QFMZKSBYTWLYND-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1csc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)n1 ZINC001570362564 1343061817 /nfs/dbraw/zinc/06/18/17/1343061817.db2.gz XJTHTQJFOXPGTI-DZGCQCFKSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001571636650 1343257134 /nfs/dbraw/zinc/25/71/34/1343257134.db2.gz GENBXZOCOXZMGS-SFHVURJKSA-N 2 0 343.515 2.445 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001676261947 1357127832 /nfs/dbraw/zinc/12/78/32/1357127832.db2.gz GSVLJSHMCBBZDN-HNNXBMFYSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001676874337 1357227826 /nfs/dbraw/zinc/22/78/26/1357227826.db2.gz XUNJIKYZZZXQIV-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCc2cccs2)C1)C12CC[NH+](CC1)C2 ZINC001676965274 1357250521 /nfs/dbraw/zinc/25/05/21/1357250521.db2.gz LGZMNUKGGMHPNG-CVEARBPZSA-N 2 0 347.528 2.261 10 0 EEAERP CCOCCC[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001677431481 1357331271 /nfs/dbraw/zinc/33/12/71/1357331271.db2.gz OBLMAAWKTCEZAS-WWDZGPRUSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001621584581 1352370806 /nfs/dbraw/zinc/37/08/06/1352370806.db2.gz LYUWDCJOPFRPTL-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP c1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CC5(C[NH2+]C5)CO4)C3)nc2c1 ZINC001650034502 1353695849 /nfs/dbraw/zinc/69/58/49/1353695849.db2.gz FVINHBNKSBKWOF-GJZGRUSLSA-N 2 0 326.444 2.121 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001656175813 1354210918 /nfs/dbraw/zinc/21/09/18/1354210918.db2.gz HSOBEOCSTXNAJO-YESZJQIVSA-N 2 0 335.517 2.117 10 0 EEAERP COC(=O)/C=C\c1ccc(OCCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC001656311142 1354222577 /nfs/dbraw/zinc/22/25/77/1354222577.db2.gz KXLQUJXXLCZIQY-ZODOCNFASA-N 2 0 344.455 2.135 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001660369193 1354450969 /nfs/dbraw/zinc/45/09/69/1354450969.db2.gz RKCFRJCUZOYDJZ-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@H]1CCCC1(F)F ZINC001660400590 1354458620 /nfs/dbraw/zinc/45/86/20/1354458620.db2.gz YRAZLVFYLXWYJV-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCc1ccccc1 ZINC001660528791 1354482377 /nfs/dbraw/zinc/48/23/77/1354482377.db2.gz FMAUUBUTTSXJGP-HXUWFJFHSA-N 2 0 343.515 2.399 10 0 EEAERP COCCCCC[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001660775784 1354536548 /nfs/dbraw/zinc/53/65/48/1354536548.db2.gz GNLXHADFZQRKPQ-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001661201482 1354603862 /nfs/dbraw/zinc/60/38/62/1354603862.db2.gz BTLIVYACHXYVOK-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001661614916 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O=C(N[C@@H]1CCC[C@H]([NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001690773981 1404937918 /nfs/dbraw/zinc/93/79/18/1404937918.db2.gz BHGTYLNKSSZMDW-DLBZAZTESA-N 2 0 349.519 2.201 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001698858867 1405114675 /nfs/dbraw/zinc/11/46/75/1405114675.db2.gz WFDFPJJXQUCVTD-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001698861016 1405116874 /nfs/dbraw/zinc/11/68/74/1405116874.db2.gz RMQAYLHXHHXNDI-AEFFLSMTSA-N 2 0 347.503 2.016 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001698899132 1405139284 /nfs/dbraw/zinc/13/92/84/1405139284.db2.gz SWXXKEZJZJSNEO-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]CCOC1CCC1)C12CC[NH+](CC1)C2 ZINC001698919611 1405161532 /nfs/dbraw/zinc/16/15/32/1405161532.db2.gz CSCSFVDXKHTTHG-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CCF)CC1 ZINC001698948901 1405178625 /nfs/dbraw/zinc/17/86/25/1405178625.db2.gz XEUPKZPRSBTXSP-WBVHZDCISA-N 2 0 327.488 2.293 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699018714 1405233741 /nfs/dbraw/zinc/23/37/41/1405233741.db2.gz DRGZZANYXQWEKS-MAUKXSAKSA-N 2 0 344.459 2.167 10 0 EEAERP c1cc(C[NH2+]CCc2cccc3c2OCCO3)n(-c2cc[nH+]cc2)n1 ZINC000922944246 788403411 /nfs/dbraw/zinc/40/34/11/788403411.db2.gz GWOBSARBYSIXRI-UHFFFAOYSA-N 2 0 336.395 2.371 10 0 EEAERP COc1cc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)ccc1OC(F)F ZINC000923296751 789328962 /nfs/dbraw/zinc/32/89/62/789328962.db2.gz BWFXGABSIJTFBN-ZDUSSCGKSA-N 2 0 342.386 2.107 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCc1nc(-c3ccccc3)no1)CC2 ZINC000923448687 789561953 /nfs/dbraw/zinc/56/19/53/789561953.db2.gz GEEDEMISXBYSMA-INIZCTEOSA-N 2 0 342.443 2.109 10 0 EEAERP C[C@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923497129 789671373 /nfs/dbraw/zinc/67/13/73/789671373.db2.gz FDXAHZAUOXNXRW-QWHCGFSZSA-N 2 0 334.395 2.204 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC000923511142 789697729 /nfs/dbraw/zinc/69/77/29/789697729.db2.gz ZPIILDSLYSICLC-XLIONFOSSA-N 2 0 343.515 2.384 10 0 EEAERP [NH3+]CCOCC[N@@H+]1CCC[C@H]1COc1ccc(Br)cc1 ZINC000923526901 789718710 /nfs/dbraw/zinc/71/87/10/789718710.db2.gz VJCUZTHHNAYCPM-AWEZNQCLSA-N 2 0 343.265 2.268 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716680758 796442095 /nfs/dbraw/zinc/44/20/95/796442095.db2.gz UJUWANVDZSRKFL-XSDIEEQYSA-N 2 0 343.515 2.350 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000916836898 797912076 /nfs/dbraw/zinc/91/20/76/797912076.db2.gz PNLIUTKEPHLMOE-FUHWJXTLSA-N 2 0 347.507 2.106 10 0 EEAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000925441437 798307120 /nfs/dbraw/zinc/30/71/20/798307120.db2.gz PNVWBMQIVJIKHM-RBUKOAKNSA-N 2 0 347.503 2.129 10 0 EEAERP C[C@H](c1cnccn1)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001566454513 1125614898 /nfs/dbraw/zinc/61/48/98/1125614898.db2.gz YPTKTOAFVLOYDZ-MRXNPFEDSA-N 2 0 347.507 2.240 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCC1CCOCC1 ZINC001566555653 1125728282 /nfs/dbraw/zinc/72/82/82/1125728282.db2.gz XKFXXVQPYABURV-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC2CCOCC2)[C@@H]1C ZINC001436506968 1088045183 /nfs/dbraw/zinc/04/51/83/1088045183.db2.gz DLXUCLSGYMKCRD-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CC[NH+]1CCC(N(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001436669528 1088107660 /nfs/dbraw/zinc/10/76/60/1088107660.db2.gz OTICLSGSQXIXPT-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC001436799091 1088369998 /nfs/dbraw/zinc/36/99/98/1088369998.db2.gz OLLFHXBUDXQZJY-ROUUACIJSA-N 2 0 333.451 2.294 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001436841704 1088476643 /nfs/dbraw/zinc/47/66/43/1088476643.db2.gz MSOQQAMVTAKBGO-KRWDZBQOSA-N 2 0 335.467 2.448 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1)C12CCC[NH+]1CCC2 ZINC001436955339 1088644012 /nfs/dbraw/zinc/64/40/12/1088644012.db2.gz WXXMMYROMYVURB-OGKWRQLDSA-N 2 0 332.275 2.171 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001436977048 1088672926 /nfs/dbraw/zinc/67/29/26/1088672926.db2.gz QZIXXJRBKFEZCD-QLIIJSOBSA-N 2 0 343.515 2.369 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2cncs2)C1 ZINC001437067093 1088994216 /nfs/dbraw/zinc/99/42/16/1088994216.db2.gz QQBVWEIHZQZPGA-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC001437124683 1089107380 /nfs/dbraw/zinc/10/73/80/1089107380.db2.gz AZLCLKOXXRKGDL-DOMZBBRYSA-N 2 0 338.521 2.227 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001437133944 1089123846 /nfs/dbraw/zinc/12/38/46/1089123846.db2.gz VICNTQFIACZZCW-IIDMSEBBSA-N 2 0 329.488 2.499 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001437170595 1089191989 /nfs/dbraw/zinc/19/19/89/1089191989.db2.gz QUQFWDUXYJZCLZ-HOTGVXAUSA-N 2 0 345.487 2.479 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001437195201 1089245147 /nfs/dbraw/zinc/24/51/47/1089245147.db2.gz BARIDGRZZJHVTL-AWEZNQCLSA-N 2 0 346.500 2.356 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001437235349 1089334782 /nfs/dbraw/zinc/33/47/82/1089334782.db2.gz KGBONYHICKRUQU-ZBFHGGJFSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001437259138 1089398711 /nfs/dbraw/zinc/39/87/11/1089398711.db2.gz FDGSTPRHIQFSRX-CYBMUJFWSA-N 2 0 338.521 2.230 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437263592 1089409987 /nfs/dbraw/zinc/40/99/87/1089409987.db2.gz SKAJVADXHYTKBD-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001437327226 1089497849 /nfs/dbraw/zinc/49/78/49/1089497849.db2.gz LBPWJJNNWWQTPS-ZWKOTPCHSA-N 2 0 349.523 2.241 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1C ZINC001437497788 1089877975 /nfs/dbraw/zinc/87/79/75/1089877975.db2.gz IYLSUFBQUUBSTP-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001437936722 1090529807 /nfs/dbraw/zinc/52/98/07/1090529807.db2.gz FDNHCRUGVAUOCL-IRXDYDNUSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)(C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1)[NH+]1CCCC1 ZINC001438132933 1090657586 /nfs/dbraw/zinc/65/75/86/1090657586.db2.gz KOVQLRGALNKHBO-UHFFFAOYSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001438234170 1090714160 /nfs/dbraw/zinc/71/41/60/1090714160.db2.gz URYFJWBDACPJQG-ZWKOTPCHSA-N 2 0 339.524 2.207 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccns1 ZINC001438344304 1090822019 /nfs/dbraw/zinc/82/20/19/1090822019.db2.gz PCLKJOVIKBJTNO-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC001438579156 1091066531 /nfs/dbraw/zinc/06/65/31/1091066531.db2.gz YNOTVTZVLSHTAG-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001438650350 1091135289 /nfs/dbraw/zinc/13/52/89/1091135289.db2.gz ZSBWLUGICUQCCZ-YJBOKZPZSA-N 2 0 347.478 2.412 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438723303 1091251351 /nfs/dbraw/zinc/25/13/51/1091251351.db2.gz QQIZHNVEBKYHFH-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H](C[NH2+]Cc1cc2ccccc2s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445497857 1091274799 /nfs/dbraw/zinc/27/47/99/1091274799.db2.gz FNBWRJGOQSPBDF-HIFRSBDPSA-N 2 0 331.485 2.447 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1coc(C2CC2)n1 ZINC001438963022 1091655800 /nfs/dbraw/zinc/65/58/00/1091655800.db2.gz NPGQUZBQRXUHIN-WBVHZDCISA-N 2 0 348.491 2.267 10 0 EEAERP COCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001439152283 1091795369 /nfs/dbraw/zinc/79/53/69/1091795369.db2.gz WMLQZXDDZQRTQT-GJYPPUQNSA-N 2 0 347.503 2.158 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001445954485 1091899425 /nfs/dbraw/zinc/89/94/25/1091899425.db2.gz CFSNYZSGFPYDQD-ZWKOTPCHSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001445989488 1091959757 /nfs/dbraw/zinc/95/97/57/1091959757.db2.gz QDWQFAQPCRAKLR-HOTGVXAUSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cnccc1C ZINC001446008018 1091987919 /nfs/dbraw/zinc/98/79/19/1091987919.db2.gz HYSPPGFSOWKUPF-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439401384 1092157345 /nfs/dbraw/zinc/15/73/45/1092157345.db2.gz BGZPFWPHSRZTMN-FVDXIBTGSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cc1F ZINC001439603224 1092505338 /nfs/dbraw/zinc/50/53/38/1092505338.db2.gz FJHXVVRFAZSPPJ-KRWDZBQOSA-N 2 0 345.462 2.214 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)sn1 ZINC001439679869 1092620925 /nfs/dbraw/zinc/62/09/25/1092620925.db2.gz YCBKUIKAWMNFQS-KBPBESRZSA-N 2 0 336.505 2.063 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001439702459 1092657724 /nfs/dbraw/zinc/65/77/24/1092657724.db2.gz CYLFCYKTTXIKEL-IBGZPJMESA-N 2 0 348.491 2.138 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001439922901 1093000348 /nfs/dbraw/zinc/00/03/48/1093000348.db2.gz JWFQDLKTFVCORV-INIZCTEOSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(NCC1([NH2+]CC2CC2)CCOCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001439957179 1093073578 /nfs/dbraw/zinc/07/35/78/1093073578.db2.gz OXDMTBPPGYEGQF-SFHVURJKSA-N 2 0 349.519 2.058 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC=C(Cl)Cl)C2 ZINC001440117855 1093178636 /nfs/dbraw/zinc/17/86/36/1093178636.db2.gz ZDTJKCPOQQNJAG-XQQFMLRXSA-N 2 0 334.291 2.226 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185800 1093245732 /nfs/dbraw/zinc/24/57/32/1093245732.db2.gz FHMFRFHYHLZXQE-MOPGFXCFSA-N 2 0 344.503 2.297 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001440225039 1093306655 /nfs/dbraw/zinc/30/66/55/1093306655.db2.gz SJYJQCDRZFJFNA-APWZRJJASA-N 2 0 347.503 2.474 10 0 EEAERP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)n1ccnc1 ZINC001440304168 1093431520 /nfs/dbraw/zinc/43/15/20/1093431520.db2.gz MBPBXEQOCBPISX-MWDXBVQZSA-N 2 0 348.491 2.134 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1)C12CC[NH+](CC1)C2 ZINC001440359876 1093521567 /nfs/dbraw/zinc/52/15/67/1093521567.db2.gz WFMWUXNUGPPZJN-ZACQAIPSSA-N 2 0 331.504 2.147 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001440363102 1093527412 /nfs/dbraw/zinc/52/74/12/1093527412.db2.gz ZNMWBAHQFZRHIW-CVEARBPZSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1)[NH+](C)C ZINC001440413718 1093607729 /nfs/dbraw/zinc/60/77/29/1093607729.db2.gz RYKYMXQHDXECEH-SQWLQELKSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1conc1C ZINC001440465144 1093686501 /nfs/dbraw/zinc/68/65/01/1093686501.db2.gz SWCQYPIOKFMAQX-FGTMMUONSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1oncc1C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001440466945 1093690333 /nfs/dbraw/zinc/69/03/33/1093690333.db2.gz VFTQJBOQUXMAPH-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001448733087 1093804617 /nfs/dbraw/zinc/80/46/17/1093804617.db2.gz ZRWYJJJSBYXEOL-KSSFIOAISA-N 2 0 327.488 2.436 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)co1 ZINC001440671735 1093934998 /nfs/dbraw/zinc/93/49/98/1093934998.db2.gz UPUXVNHDZHLJHR-GJZGRUSLSA-N 2 0 336.480 2.232 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001440757175 1094000097 /nfs/dbraw/zinc/00/00/97/1094000097.db2.gz QNJBXDMTPSGYGG-UHFFFAOYSA-N 2 0 328.460 2.104 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001449051553 1094065096 /nfs/dbraw/zinc/06/50/96/1094065096.db2.gz HDSUGGHDKLRACG-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440824262 1094077483 /nfs/dbraw/zinc/07/74/83/1094077483.db2.gz BBMKSYUCNQVBQN-JKSUJKDBSA-N 2 0 334.508 2.351 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C)c1 ZINC001449292977 1094243953 /nfs/dbraw/zinc/24/39/53/1094243953.db2.gz GPNBRVXDIMUVPP-ZWKOTPCHSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H](O)C[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001449307423 1094261115 /nfs/dbraw/zinc/26/11/15/1094261115.db2.gz HVXGXTBUSLZAEH-GOEBONIOSA-N 2 0 341.540 2.141 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cn1)C(C)(C)C)[NH+](C)C ZINC001449308091 1094261962 /nfs/dbraw/zinc/26/19/62/1094261962.db2.gz JWSYLFUVVQGGON-HZPDHXFCSA-N 2 0 338.471 2.181 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001441027118 1094315770 /nfs/dbraw/zinc/31/57/70/1094315770.db2.gz QMLUCZNCPRZJGM-KSSFIOAISA-N 2 0 333.451 2.345 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001441340243 1094830010 /nfs/dbraw/zinc/83/00/10/1094830010.db2.gz MPLBTBPBSHQEEQ-OKZBNKHCSA-N 2 0 339.499 2.439 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001441577817 1095371493 /nfs/dbraw/zinc/37/14/93/1095371493.db2.gz GQDBDLKXSMYIRF-FUHWJXTLSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001441598680 1095441802 /nfs/dbraw/zinc/44/18/02/1095441802.db2.gz TXTPNPOPYZGLDQ-GFCCVEGCSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC001441687971 1095671562 /nfs/dbraw/zinc/67/15/62/1095671562.db2.gz UKYUZQQOYQLJAH-SJORKVTESA-N 2 0 332.492 2.139 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001441849357 1095932419 /nfs/dbraw/zinc/93/24/19/1095932419.db2.gz ALYCAUWQIJOASO-KRWDZBQOSA-N 2 0 329.488 2.465 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001441929043 1096115814 /nfs/dbraw/zinc/11/58/14/1096115814.db2.gz LWGJAHGZFCGYDP-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2c(C)nsc2C)C1 ZINC001442158483 1096415013 /nfs/dbraw/zinc/41/50/13/1096415013.db2.gz PAQCYTOUOKJAKL-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)s1 ZINC001442170952 1096435443 /nfs/dbraw/zinc/43/54/43/1096435443.db2.gz MNIZYYQLORBMMF-HNNXBMFYSA-N 2 0 340.537 2.414 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001442317104 1096635221 /nfs/dbraw/zinc/63/52/21/1096635221.db2.gz GFZOCXLCYMHTEK-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cccnc1C ZINC001442725853 1097099235 /nfs/dbraw/zinc/09/92/35/1097099235.db2.gz GTIKJZSKXNSNBY-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001443271682 1097754105 /nfs/dbraw/zinc/75/41/05/1097754105.db2.gz OKJCYXQWZKWAOH-WOJBJXKFSA-N 2 0 343.515 2.317 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnoc1C ZINC001444009500 1098525881 /nfs/dbraw/zinc/52/58/81/1098525881.db2.gz TVYRZVFSYIFVOJ-RHSMWYFYSA-N 2 0 336.480 2.232 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001479495786 1098565769 /nfs/dbraw/zinc/56/57/69/1098565769.db2.gz QDTREBZBXCSFFT-FUHWJXTLSA-N 2 0 333.451 2.296 10 0 EEAERP Cc1cc(C[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C)sn1 ZINC001479797229 1099015828 /nfs/dbraw/zinc/01/58/28/1099015828.db2.gz XNUJIIUBZTYYJQ-UHFFFAOYSA-N 2 0 340.537 2.368 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001479835482 1099118190 /nfs/dbraw/zinc/11/81/90/1099118190.db2.gz VZWOOBQFVCNKTR-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001444509304 1099248448 /nfs/dbraw/zinc/24/84/48/1099248448.db2.gz MKQKQFHYEBTDMN-MRXNPFEDSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001444637412 1099465152 /nfs/dbraw/zinc/46/51/52/1099465152.db2.gz QILOVEFRMNCJRH-KBPBESRZSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)CC[NH+](C)C ZINC001444660408 1099497372 /nfs/dbraw/zinc/49/73/72/1099497372.db2.gz AOAPVZPQQQNTEJ-HNNXBMFYSA-N 2 0 328.460 2.123 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001480063594 1099593291 /nfs/dbraw/zinc/59/32/91/1099593291.db2.gz IYTLACRLWVDGLR-KRWDZBQOSA-N 2 0 337.414 2.045 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)n1 ZINC001444736783 1099611610 /nfs/dbraw/zinc/61/16/10/1099611610.db2.gz WTEYDHWGYQUHDM-MRXNPFEDSA-N 2 0 332.492 2.237 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001480238351 1099869248 /nfs/dbraw/zinc/86/92/48/1099869248.db2.gz RQKKRPGLXUOGDL-KDURUIRLSA-N 2 0 329.488 2.252 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC(F)(F)F ZINC001444880261 1099901093 /nfs/dbraw/zinc/90/10/93/1099901093.db2.gz ZOAPGNRGCBPACU-ZIAGYGMSSA-N 2 0 335.414 2.011 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC[C@@H]1CCCCO1 ZINC001480331829 1100090886 /nfs/dbraw/zinc/09/08/86/1100090886.db2.gz NONNHENSANUJJF-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388699 1100192506 /nfs/dbraw/zinc/19/25/06/1100192506.db2.gz ZLCDVZNHRVIWMV-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC/C=C/c3ccccc3)C[C@H]21 ZINC001480390197 1100195244 /nfs/dbraw/zinc/19/52/44/1100195244.db2.gz HMAMJBHNWRPGFQ-ARSOZIIBSA-N 2 0 339.483 2.231 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cncs1)c1ccccc1 ZINC001480569431 1100413487 /nfs/dbraw/zinc/41/34/87/1100413487.db2.gz IQPZINQKERUTBE-WMLDXEAASA-N 2 0 346.500 2.430 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)sn1 ZINC001496237184 1100803927 /nfs/dbraw/zinc/80/39/27/1100803927.db2.gz AUYWPYHXRQGGFL-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496251085 1100819944 /nfs/dbraw/zinc/81/99/44/1100819944.db2.gz SXPAFIVCAICIGS-PBHICJAKSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCCF)C2CCCCC2)CC[N@@H+]1C ZINC001496315770 1100908695 /nfs/dbraw/zinc/90/86/95/1100908695.db2.gz XIFJQGSAPOJLLQ-DJIMGWMZSA-N 2 0 327.488 2.341 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]Cc2ccsc2)C2CC2)CC1 ZINC001495277390 1100974289 /nfs/dbraw/zinc/97/42/89/1100974289.db2.gz OIDBGSNGCSYDDO-SFHVURJKSA-N 2 0 335.517 2.464 10 0 EEAERP C[C@](C[NH2+]CCc1ccccc1F)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495299556 1100999752 /nfs/dbraw/zinc/99/97/52/1100999752.db2.gz NFZMHLKLLNYFTM-HXUWFJFHSA-N 2 0 347.478 2.339 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001496463647 1101055663 /nfs/dbraw/zinc/05/56/63/1101055663.db2.gz TUAHOKHTXZPOQB-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001495348710 1101060172 /nfs/dbraw/zinc/06/01/72/1101060172.db2.gz YPLSUZKGOXAGTL-HKUYNNGSSA-N 2 0 344.503 2.203 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2cnccc2C)C1 ZINC001495379065 1101098147 /nfs/dbraw/zinc/09/81/47/1101098147.db2.gz LITWISNDFJAMRH-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](CCOC2CCC2)CC1 ZINC001446675566 1101216269 /nfs/dbraw/zinc/21/62/69/1101216269.db2.gz SBEHPHSBSLREHP-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](C/C=C\Cl)C2)CC[N@@H+]1C ZINC001446686329 1101244179 /nfs/dbraw/zinc/24/41/79/1101244179.db2.gz ROPFBTQVVCATJN-CDZFGDQCSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(F)(F)C1 ZINC001495681209 1101428152 /nfs/dbraw/zinc/42/81/52/1101428152.db2.gz GGJBAYHFIXVMGV-DZGCQCFKSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC=C(Cl)Cl ZINC001495730666 1101495949 /nfs/dbraw/zinc/49/59/49/1101495949.db2.gz MJVPLCRZCZEUPW-AVGNSLFASA-N 2 0 336.307 2.378 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001495813334 1101632277 /nfs/dbraw/zinc/63/22/77/1101632277.db2.gz UARIKPVSTSPSFO-CQSZACIVSA-N 2 0 344.459 2.200 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCO)cc1 ZINC001447091064 1101971844 /nfs/dbraw/zinc/97/18/44/1101971844.db2.gz UVBHAXVYCSWKKM-QFBILLFUSA-N 2 0 347.503 2.209 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC001447091059 1101972793 /nfs/dbraw/zinc/97/27/93/1101972793.db2.gz UVBHAXVYCSWKKM-APWZRJJASA-N 2 0 347.503 2.209 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497272440 1102231064 /nfs/dbraw/zinc/23/10/64/1102231064.db2.gz QZUYABZDWMKUCB-GDBMZVCRSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001497273817 1102234549 /nfs/dbraw/zinc/23/45/49/1102234549.db2.gz AHKKAXSIPQJMLF-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001497278740 1102242944 /nfs/dbraw/zinc/24/29/44/1102242944.db2.gz YBBQZEMDZGROJS-KRWDZBQOSA-N 2 0 331.504 2.445 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC=C(Cl)Cl)CC[N@@H+]1C ZINC001497383949 1102413751 /nfs/dbraw/zinc/41/37/51/1102413751.db2.gz QBIKECNHGHOMCG-QWHCGFSZSA-N 2 0 336.307 2.474 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(OC)cc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001497471307 1102540963 /nfs/dbraw/zinc/54/09/63/1102540963.db2.gz KNJXHKNEIRBZRG-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001497602379 1102732341 /nfs/dbraw/zinc/73/23/41/1102732341.db2.gz XLCBQMSCNCXGQF-KVLZDYKBSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1ccccc1C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001447490679 1102737346 /nfs/dbraw/zinc/73/73/46/1102737346.db2.gz GOKNCZRDEGNWBI-UHFFFAOYSA-N 2 0 347.503 2.092 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC001447534134 1102799872 /nfs/dbraw/zinc/79/98/72/1102799872.db2.gz BOZLSHZSBNVAFM-BLLLJJGKSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001447536303 1102806529 /nfs/dbraw/zinc/80/65/29/1102806529.db2.gz FNPCVEIBDVAKDX-HNAYVOBHSA-N 2 0 340.471 2.123 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2F)C1 ZINC001497672988 1102874091 /nfs/dbraw/zinc/87/40/91/1102874091.db2.gz BYLDJUAXVUOMLE-HSWBROFVSA-N 2 0 337.414 2.069 10 0 EEAERP Cc1nc(CNC/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)o1 ZINC001497681353 1102892549 /nfs/dbraw/zinc/89/25/49/1102892549.db2.gz QPSRCYZACXUZDG-BQYQJAHWSA-N 2 0 336.480 2.031 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC001447614852 1102975180 /nfs/dbraw/zinc/97/51/80/1102975180.db2.gz LQCIAWGLCWBBGK-OAHLLOKOSA-N 2 0 347.503 2.342 10 0 EEAERP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001447765783 1103263402 /nfs/dbraw/zinc/26/34/02/1103263402.db2.gz DTCZDYBLJWHWJP-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001494032128 1103394665 /nfs/dbraw/zinc/39/46/65/1103394665.db2.gz UKRNAENVYHIBBV-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)n1 ZINC001447904692 1103561352 /nfs/dbraw/zinc/56/13/52/1103561352.db2.gz IIPKJJJWNQGQDF-SJORKVTESA-N 2 0 346.519 2.413 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001447933291 1103633051 /nfs/dbraw/zinc/63/30/51/1103633051.db2.gz NRKJJDUYLFDILK-OLZOCXBDSA-N 2 0 327.419 2.288 10 0 EEAERP Cc1cc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)sn1 ZINC001447941602 1103651782 /nfs/dbraw/zinc/65/17/82/1103651782.db2.gz KTXNZAJSRYEVAP-UHFFFAOYSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cccc(OCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001448013426 1103800190 /nfs/dbraw/zinc/80/01/90/1103800190.db2.gz FLVMTFSFUJYTQB-YQVWRLOYSA-N 2 0 347.503 2.151 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCOC)C1 ZINC001494301371 1103856423 /nfs/dbraw/zinc/85/64/23/1103856423.db2.gz CPPYUZJPQPPNBS-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001494329683 1103901643 /nfs/dbraw/zinc/90/16/43/1103901643.db2.gz HBDLKEIDWOKEFW-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cccc(C)c1OCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448148101 1104110054 /nfs/dbraw/zinc/11/00/54/1104110054.db2.gz NRGJFFXGAWMRLI-ZWKOTPCHSA-N 2 0 347.503 2.070 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001494841460 1104439772 /nfs/dbraw/zinc/43/97/72/1104439772.db2.gz IAJXFZRZVMXERB-SFHVURJKSA-N 2 0 344.503 2.073 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001494949943 1104592555 /nfs/dbraw/zinc/59/25/55/1104592555.db2.gz OUPKHFKZMLQUKI-BBRMVZONSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001498054980 1106849281 /nfs/dbraw/zinc/84/92/81/1106849281.db2.gz ILYRLKBSFYBJOQ-MAUKXSAKSA-N 2 0 332.492 2.167 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498055901 1106853211 /nfs/dbraw/zinc/85/32/11/1106853211.db2.gz YNYJOXZWIBQYSP-DZGCQCFKSA-N 2 0 334.464 2.021 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001480677177 1106864957 /nfs/dbraw/zinc/86/49/57/1106864957.db2.gz QWLAOWWXGFHFLQ-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCCCCF)C2)C1 ZINC001480735789 1107008539 /nfs/dbraw/zinc/00/85/39/1107008539.db2.gz JXBKTOPRVSFYJM-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001480808499 1107155770 /nfs/dbraw/zinc/15/57/70/1107155770.db2.gz KTWWPIVVLZUQFP-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001498380566 1107424609 /nfs/dbraw/zinc/42/46/09/1107424609.db2.gz INNNRWIOXXNHPH-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ncoc1CN(C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498422639 1107492959 /nfs/dbraw/zinc/49/29/59/1107492959.db2.gz OPIIBPAQBOAXPT-CQSZACIVSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1OC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001498458652 1107569730 /nfs/dbraw/zinc/56/97/30/1107569730.db2.gz SETKKWNCDQGYBB-INIZCTEOSA-N 2 0 345.487 2.260 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001493139449 1107580626 /nfs/dbraw/zinc/58/06/26/1107580626.db2.gz GRGWBQGIOODVFQ-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001498567946 1107734737 /nfs/dbraw/zinc/73/47/37/1107734737.db2.gz HJZRPGCPALHEOB-IBGZPJMESA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+]1CCCCC1 ZINC001498760634 1108043418 /nfs/dbraw/zinc/04/34/18/1108043418.db2.gz ORWBBDKNUPLUMI-PPYMECGQSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001493551184 1108301172 /nfs/dbraw/zinc/30/11/72/1108301172.db2.gz NHOSMCOMTWMLNW-SJLPKXTDSA-N 2 0 346.519 2.402 10 0 EEAERP CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCCCF ZINC001498901726 1108301709 /nfs/dbraw/zinc/30/17/09/1108301709.db2.gz HLKRHLLOAPTNQF-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP Cc1cccc(C)c1C[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001499066235 1108528841 /nfs/dbraw/zinc/52/88/41/1108528841.db2.gz FGTQAZHRSPTEKC-YJBOKZPZSA-N 2 0 329.488 2.336 10 0 EEAERP OCC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1CO ZINC001460964995 1110330107 /nfs/dbraw/zinc/33/01/07/1110330107.db2.gz KGDFGKBBTSGPMB-UXHICEINSA-N 2 0 332.488 2.095 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CC[C@@H]1CCCC1(F)F)C(=O)C[NH+]1CCCC1 ZINC001479271191 1110672998 /nfs/dbraw/zinc/67/29/98/1110672998.db2.gz LYJOKKRIJWEFFO-HOTGVXAUSA-N 2 0 343.462 2.440 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001479341876 1110683706 /nfs/dbraw/zinc/68/37/06/1110683706.db2.gz YCDCTYYPUIIOGX-WDYCEAGBSA-N 2 0 327.472 2.254 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001479407897 1110692657 /nfs/dbraw/zinc/69/26/57/1110692657.db2.gz HIWJGQOYRVQAIL-JFIYKMOQSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001499584500 1112389144 /nfs/dbraw/zinc/38/91/44/1112389144.db2.gz DRWIXURYMZJGPG-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001499897175 1112532430 /nfs/dbraw/zinc/53/24/30/1112532430.db2.gz UFMSTNVYWRHCTK-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](F)CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001501243193 1113259533 /nfs/dbraw/zinc/25/95/33/1113259533.db2.gz WBIMBUDBYNBFSF-YESZJQIVSA-N 2 0 325.472 2.001 10 0 EEAERP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001501417858 1113352047 /nfs/dbraw/zinc/35/20/47/1113352047.db2.gz KXSXYHLQCVVDGL-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001502092827 1113584380 /nfs/dbraw/zinc/58/43/80/1113584380.db2.gz XFJLXHNCHMRKPM-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001502147308 1113616077 /nfs/dbraw/zinc/61/60/77/1113616077.db2.gz GUAMYUGQGBJSIS-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001502341737 1113635600 /nfs/dbraw/zinc/63/56/00/1113635600.db2.gz BQOKXAUGTHIQNU-KRWDZBQOSA-N 2 0 336.480 2.138 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001502811159 1113808378 /nfs/dbraw/zinc/80/83/78/1113808378.db2.gz NUFQNDXUNTWYON-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)on1 ZINC001505605991 1114081214 /nfs/dbraw/zinc/08/12/14/1114081214.db2.gz MFABDBQTOMSDRT-GJZGRUSLSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505679924 1114127336 /nfs/dbraw/zinc/12/73/36/1114127336.db2.gz YJCGHKUSZNPYEU-KGLIPLIRSA-N 2 0 332.448 2.152 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccon1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001505818303 1114212221 /nfs/dbraw/zinc/21/22/21/1114212221.db2.gz RNAZPPOMIYXJNP-IAGOWNOFSA-N 2 0 348.491 2.266 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCCc1ccsc1 ZINC001506001437 1114333477 /nfs/dbraw/zinc/33/34/77/1114333477.db2.gz ASIKNQVQHASXJC-CVEARBPZSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)on1 ZINC001506945057 1114993553 /nfs/dbraw/zinc/99/35/53/1114993553.db2.gz VRRUDKABQKGFED-HNNXBMFYSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001507117102 1115117162 /nfs/dbraw/zinc/11/71/62/1115117162.db2.gz GORLGOZRSBVMJJ-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507155042 1115137482 /nfs/dbraw/zinc/13/74/82/1115137482.db2.gz PYJMXRPKYKJJPK-APWZRJJASA-N 2 0 331.504 2.180 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001507161805 1115141868 /nfs/dbraw/zinc/14/18/68/1115141868.db2.gz MUHWFGKOSCCKHR-AWEZNQCLSA-N 2 0 341.446 2.284 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001507354758 1115217491 /nfs/dbraw/zinc/21/74/91/1115217491.db2.gz JDQIYUVQKYLJLQ-HKUYNNGSSA-N 2 0 346.475 2.081 10 0 EEAERP CC(C)[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001507390802 1115247559 /nfs/dbraw/zinc/24/75/59/1115247559.db2.gz ZKHPEZLUTAAULN-WOJBJXKFSA-N 2 0 343.515 2.444 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC001507427797 1115262892 /nfs/dbraw/zinc/26/28/92/1115262892.db2.gz LIHDBNUFTCSOTJ-ROUUACIJSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507730169 1115335720 /nfs/dbraw/zinc/33/57/20/1115335720.db2.gz STQFTHGXOFFGHD-QZTJIDSGSA-N 2 0 349.519 2.147 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001508035460 1115397207 /nfs/dbraw/zinc/39/72/07/1115397207.db2.gz HEHAZIZJQAVCRU-DZGCQCFKSA-N 2 0 345.478 2.494 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CC[C@@H](C)F)CC2)CC1 ZINC001508164892 1115432366 /nfs/dbraw/zinc/43/23/66/1115432366.db2.gz CXDKBBSVFBWRGR-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C)n2CC[NH+]2CC=CCC2)C1 ZINC001514617735 1118807966 /nfs/dbraw/zinc/80/79/66/1118807966.db2.gz QBEYHYBQDBHUDF-GOSISDBHSA-N 2 0 346.523 2.017 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001521752165 1119274262 /nfs/dbraw/zinc/27/42/62/1119274262.db2.gz HVSWPODTRMGQAZ-UHFFFAOYSA-N 2 0 327.538 2.054 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001540246200 1124079157 /nfs/dbraw/zinc/07/91/57/1124079157.db2.gz HSIGKLHPOQTIDH-VQIMIIECSA-N 2 0 344.503 2.497 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC(CC[NH2+]CCCF)CC2)CC1 ZINC001568094955 1124298777 /nfs/dbraw/zinc/29/87/77/1124298777.db2.gz UXDFKNPMYQOIIP-UHFFFAOYSA-N 2 0 327.488 2.296 10 0 EEAERP COCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001568159189 1124333982 /nfs/dbraw/zinc/33/39/82/1124333982.db2.gz ZVIWCYBYKCOBIO-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568172241 1124339256 /nfs/dbraw/zinc/33/92/56/1124339256.db2.gz QFOLQNCGQXJPIU-YLJYHZDGSA-N 2 0 343.515 2.221 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cnc(C)o1 ZINC001568397957 1124468662 /nfs/dbraw/zinc/46/86/62/1124468662.db2.gz LOVBBYKSDTVIMO-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568400479 1124470154 /nfs/dbraw/zinc/47/01/54/1124470154.db2.gz LGANSEKZJIZWFV-QZTJIDSGSA-N 2 0 344.503 2.203 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nc(C)cs2)CC[N@@H+]1C ZINC001568633367 1124647589 /nfs/dbraw/zinc/64/75/89/1124647589.db2.gz DGTRLKQFZIVTQO-VHDGCEQUSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001568647609 1124658963 /nfs/dbraw/zinc/65/89/63/1124658963.db2.gz ZLMAALQIJDXBRG-MRXNPFEDSA-N 2 0 341.540 2.265 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001568695277 1124708767 /nfs/dbraw/zinc/70/87/67/1124708767.db2.gz ZTPIRNJTCAUPBI-CQSZACIVSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C1([NH+](C)C)CCC1 ZINC001568746791 1124760491 /nfs/dbraw/zinc/76/04/91/1124760491.db2.gz CWMWPFNWTJNTCR-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569188478 1125153479 /nfs/dbraw/zinc/15/34/79/1125153479.db2.gz IWWXLWWHOSHIGG-ROUUACIJSA-N 2 0 333.451 2.345 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001569208389 1125165707 /nfs/dbraw/zinc/16/57/07/1125165707.db2.gz FGTYRHADVHOIPD-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569213565 1125170074 /nfs/dbraw/zinc/17/00/74/1125170074.db2.gz FILQZWUNDYRCET-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001569213724 1125170107 /nfs/dbraw/zinc/17/01/07/1125170107.db2.gz JXKDWQXJYWHSBI-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001565857019 1125437340 /nfs/dbraw/zinc/43/73/40/1125437340.db2.gz XWGQYIRGSVJYIK-BBWFWOEESA-N 2 0 327.488 2.341 10 0 EEAERP CN(CC[NH2+]CCC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000053447051 214183710 /nfs/dbraw/zinc/18/37/10/214183710.db2.gz UXMBLOVODNGCAL-UHFFFAOYSA-N 2 0 328.298 2.422 10 0 EEAERP CC[NH+]1CCN(CC[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000053937267 214206089 /nfs/dbraw/zinc/20/60/89/214206089.db2.gz CEOLVFOJROVIAW-OAHLLOKOSA-N 2 0 326.282 2.477 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000422973859 536596485 /nfs/dbraw/zinc/59/64/85/536596485.db2.gz PSZCDJLUHJHWAW-LLVKDONJSA-N 2 0 345.237 2.021 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000422942078 536594893 /nfs/dbraw/zinc/59/48/93/536594893.db2.gz KAJFRFZNJZCXPV-CYBMUJFWSA-N 2 0 331.254 2.171 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(F)cc1 ZINC000174159012 231135261 /nfs/dbraw/zinc/13/52/61/231135261.db2.gz DDSABZJFUYARMF-ZWKOTPCHSA-N 2 0 346.450 2.084 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2-n2ccnc2)CC[N@@H+]1C ZINC000174307323 231173515 /nfs/dbraw/zinc/17/35/15/231173515.db2.gz TZFAQXINDRLNFM-DOTOQJQBSA-N 2 0 341.459 2.496 10 0 EEAERP CCOc1cc2c(c(C[NH2+]CC3CC[NH+](CCO)CC3)c1)O[C@@H](C)C2 ZINC000069415561 215403937 /nfs/dbraw/zinc/40/39/37/215403937.db2.gz FBRCCSQDWALSKR-HNNXBMFYSA-N 2 0 348.487 2.203 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000422753488 240207584 /nfs/dbraw/zinc/20/75/84/240207584.db2.gz IKJCUFGMETYWQO-MAUKXSAKSA-N 2 0 330.472 2.455 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)c2sccc2C)CC[NH2+]CC1 ZINC000422988954 240318628 /nfs/dbraw/zinc/31/86/28/240318628.db2.gz JZVYBZGPEVJJFZ-ZIAGYGMSSA-N 2 0 340.489 2.001 10 0 EEAERP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000425370351 241140318 /nfs/dbraw/zinc/14/03/18/241140318.db2.gz NYONCKPEFAJHIQ-QZTJIDSGSA-N 2 0 347.528 2.368 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccccc2C)CC1 ZINC000447403522 242274266 /nfs/dbraw/zinc/27/42/66/242274266.db2.gz FOUUZICATQSUIE-KRWDZBQOSA-N 2 0 331.504 2.458 10 0 EEAERP CCC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CCC1 ZINC000459804971 245252229 /nfs/dbraw/zinc/25/22/29/245252229.db2.gz PHZGGSWLQQNVKX-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000247367559 284343874 /nfs/dbraw/zinc/34/38/74/284343874.db2.gz RJCYBYWVJMFKRC-RBUKOAKNSA-N 2 0 346.519 2.143 10 0 EEAERP CC(C)[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095087957 218278581 /nfs/dbraw/zinc/27/85/81/218278581.db2.gz LRUQBKTUXDPGBH-SFHVURJKSA-N 2 0 329.488 2.484 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424631761 285246589 /nfs/dbraw/zinc/24/65/89/285246589.db2.gz AXSKVYMDXZWALY-IXDOHACOSA-N 2 0 327.488 2.389 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130187461 292369442 /nfs/dbraw/zinc/36/94/42/292369442.db2.gz JVMHWLKILJXAJQ-UHFFFAOYSA-N 2 0 347.503 2.477 10 0 EEAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)N[C@@H]3CCCc4ccccc43)C[C@@H]2C1 ZINC000193609121 160183950 /nfs/dbraw/zinc/18/39/50/160183950.db2.gz FSIMUSJKTQKHKM-ZIFCJYIRSA-N 2 0 327.472 2.064 10 0 EEAERP C[N@H+]1C[C@H]2CN(Cc3nn(-c4ccc(F)cc4)c4c3CCC4)C[C@H]2C1 ZINC000193639832 160184711 /nfs/dbraw/zinc/18/47/11/160184711.db2.gz KHYOBMXMKGOAPW-GASCZTMLSA-N 2 0 340.446 2.494 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245935224 160258225 /nfs/dbraw/zinc/25/82/25/160258225.db2.gz SACSHXIXDPFSNF-ZWKOTPCHSA-N 2 0 336.524 2.378 10 0 EEAERP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000247109542 160310583 /nfs/dbraw/zinc/31/05/83/160310583.db2.gz IXYBOABKZNNWFZ-IRXDYDNUSA-N 2 0 341.540 2.045 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247556688 160328779 /nfs/dbraw/zinc/32/87/79/160328779.db2.gz ZSTNHBMPBZQNEN-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP Cc1ccncc1N1CCN(c2ccnc(N3CCCCC3)n2)CC1 ZINC000359948102 164202182 /nfs/dbraw/zinc/20/21/82/164202182.db2.gz XNSQSIPVCJXNRU-UHFFFAOYSA-N 2 0 338.459 2.497 10 0 EEAERP C[NH+](C)CCc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364212712 165053424 /nfs/dbraw/zinc/05/34/24/165053424.db2.gz KKBBMNWHLZHPCB-ABSDTBQOSA-N 2 0 345.487 2.262 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH+]2CCC1CC2 ZINC000375213417 167088655 /nfs/dbraw/zinc/08/86/55/167088655.db2.gz ZBUXFDRLAZNEOQ-SFHVURJKSA-N 2 0 334.508 2.273 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)ccc1F ZINC000237062904 274087066 /nfs/dbraw/zinc/08/70/66/274087066.db2.gz IWRRNJXESDCOOE-IBGZPJMESA-N 2 0 341.430 2.391 10 0 EEAERP C[NH+](C)CC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000278568271 274374752 /nfs/dbraw/zinc/37/47/52/274374752.db2.gz CISAQHYDWWZNJC-MRXNPFEDSA-N 2 0 331.460 2.239 10 0 EEAERP C[C@H]1[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000291704899 275331950 /nfs/dbraw/zinc/33/19/50/275331950.db2.gz FTYZCGAPJUWNGD-PBWTXFEYSA-N 2 0 329.488 2.496 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000174449400 276075430 /nfs/dbraw/zinc/07/54/30/276075430.db2.gz JPLQVPJURIWZGC-LJQANCHMSA-N 2 0 342.487 2.294 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000171905420 276075617 /nfs/dbraw/zinc/07/56/17/276075617.db2.gz AXSQHCGALYVLAG-GOSISDBHSA-N 2 0 330.476 2.128 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000416031168 277167795 /nfs/dbraw/zinc/16/77/95/277167795.db2.gz OBGUMWXLPNPPGN-MJBXVCDLSA-N 2 0 344.381 2.011 10 0 EEAERP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000270593282 279286835 /nfs/dbraw/zinc/28/68/35/279286835.db2.gz YNHDVPCTHUAQIJ-ZWKOTPCHSA-N 2 0 330.476 2.169 10 0 EEAERP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCC[C@H](C)C1 ZINC000297703377 294319237 /nfs/dbraw/zinc/31/92/37/294319237.db2.gz XPUCWSWRMIPSHV-LSDHHAIUSA-N 2 0 329.448 2.254 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)C2)n(C)n1 ZINC000353588059 301338041 /nfs/dbraw/zinc/33/80/41/301338041.db2.gz KXHHIYNMRLTORH-FJIDUMEYSA-N 2 0 331.508 2.160 10 0 EEAERP C[C@H](CCC(F)(F)F)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414181743 312979071 /nfs/dbraw/zinc/97/90/71/312979071.db2.gz CHZYYSZVBFBDCA-CQSZACIVSA-N 2 0 337.430 2.104 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000414741322 313074242 /nfs/dbraw/zinc/07/42/42/313074242.db2.gz SAPOVFADRMMPRO-UHFFFAOYSA-N 2 0 347.507 2.468 10 0 EEAERP C[N@@H+]1CCC[C@@H](CCNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416254454 313206488 /nfs/dbraw/zinc/20/64/88/313206488.db2.gz VICBWVAIBZJFBM-KRWDZBQOSA-N 2 0 329.488 2.283 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000416980994 313381735 /nfs/dbraw/zinc/38/17/35/313381735.db2.gz KLSNWBWMFLIQCH-MOPGFXCFSA-N 2 0 344.503 2.422 10 0 EEAERP CCn1nncc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417942656 313660476 /nfs/dbraw/zinc/66/04/76/313660476.db2.gz SZKNFYVNRHTQHU-UHFFFAOYSA-N 2 0 329.448 2.062 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)CC1 ZINC000418573438 313850103 /nfs/dbraw/zinc/85/01/03/313850103.db2.gz LJLYUDVNSUDUAV-SQNIBIBYSA-N 2 0 336.524 2.138 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000527879518 317279703 /nfs/dbraw/zinc/27/97/03/317279703.db2.gz IQXPGMDBFFOQHX-SFHVURJKSA-N 2 0 334.508 2.177 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000563529158 319019602 /nfs/dbraw/zinc/01/96/02/319019602.db2.gz GXASCTUFKYCQGQ-NJAFHUGGSA-N 2 0 330.476 2.121 10 0 EEAERP O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000564339021 319079929 /nfs/dbraw/zinc/07/99/29/319079929.db2.gz YPWMWNGQMPZRHF-GOSISDBHSA-N 2 0 327.472 2.071 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000565544701 319192532 /nfs/dbraw/zinc/19/25/32/319192532.db2.gz RKWAMWYHKZXNEK-IXDOHACOSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000567821330 319423278 /nfs/dbraw/zinc/42/32/78/319423278.db2.gz ZBOQKAHRCPDZPF-VQIMIIECSA-N 2 0 344.503 2.375 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000574637010 320043380 /nfs/dbraw/zinc/04/33/80/320043380.db2.gz OZWMAMZZPJCFEL-QILLFSRXSA-N 2 0 333.451 2.343 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[NH+](C)C)cc1 ZINC000574741396 320052393 /nfs/dbraw/zinc/05/23/93/320052393.db2.gz AVRCQQLSNDKQPN-ICSRJNTNSA-N 2 0 344.503 2.383 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000577390742 320253449 /nfs/dbraw/zinc/25/34/49/320253449.db2.gz DGYCRMGTPSYPFT-GOSISDBHSA-N 2 0 330.476 2.305 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000580831264 324137133 /nfs/dbraw/zinc/13/71/33/324137133.db2.gz LGSKGCWBSDODHR-QUCCMNQESA-N 2 0 337.467 2.163 10 0 EEAERP Cc1nc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)nc(N(C)C)n1 ZINC000488373384 447845835 /nfs/dbraw/zinc/84/58/35/447845835.db2.gz XFJDNSWKDOJYAT-ZDUSSCGKSA-N 2 0 326.448 2.105 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000341269658 465085019 /nfs/dbraw/zinc/08/50/19/465085019.db2.gz MBPNAKJUAJNYNY-WMZOPIPTSA-N 2 0 342.487 2.312 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339230672 465154790 /nfs/dbraw/zinc/15/47/90/465154790.db2.gz NNUWQNVRCVTJJH-UHFFFAOYSA-N 2 0 346.500 2.409 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000342251405 465305351 /nfs/dbraw/zinc/30/53/51/465305351.db2.gz RQNLTJBRMYECBJ-MRXNPFEDSA-N 2 0 344.382 2.422 10 0 EEAERP C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154997261 462833999 /nfs/dbraw/zinc/83/39/99/462833999.db2.gz YPNMXEKBXZEGBU-QAPCUYQASA-N 2 0 332.492 2.055 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000157798664 463171319 /nfs/dbraw/zinc/17/13/19/463171319.db2.gz NNPVLGNAXGSCPJ-UHFFFAOYSA-N 2 0 338.540 2.482 10 0 EEAERP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000553166242 468353721 /nfs/dbraw/zinc/35/37/21/468353721.db2.gz CZSKPCFZJOSDEC-VQIMIIECSA-N 2 0 345.487 2.290 10 0 EEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCN(C(N)=O)CC1 ZINC000124691224 463452716 /nfs/dbraw/zinc/45/27/16/463452716.db2.gz YMXVLCMGTYSSBX-HOTGVXAUSA-N 2 0 344.503 2.276 10 0 EEAERP CC(C)[C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000185363973 463808732 /nfs/dbraw/zinc/80/87/32/463808732.db2.gz OLJTUCJTBUNXGD-KRWDZBQOSA-N 2 0 326.529 2.336 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186571347 464023973 /nfs/dbraw/zinc/02/39/73/464023973.db2.gz YIKVWPJCYCXDIH-MRXNPFEDSA-N 2 0 347.507 2.200 10 0 EEAERP O=S(=O)(CCN1CCC(c2ncc[nH]2)CC1)c1ccc(F)cc1 ZINC000279145143 464043208 /nfs/dbraw/zinc/04/32/08/464043208.db2.gz YZEOVMVJCSDWSG-UHFFFAOYSA-N 2 0 337.420 2.202 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C1CC1 ZINC000179192661 464077914 /nfs/dbraw/zinc/07/79/14/464077914.db2.gz VSUSJOKTINCQAI-ZTFGCOKTSA-N 2 0 330.476 2.214 10 0 EEAERP O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000229276470 464196010 /nfs/dbraw/zinc/19/60/10/464196010.db2.gz TYXUIYJFCYIFNP-MSOLQXFVSA-N 2 0 338.455 2.226 10 0 EEAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237973089 464413150 /nfs/dbraw/zinc/41/31/50/464413150.db2.gz MQDJPYVWNMGMCV-YQQQUEKLSA-N 2 0 327.472 2.298 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246497062 464591136 /nfs/dbraw/zinc/59/11/36/464591136.db2.gz SFOFUPHEXJYYHV-AEFFLSMTSA-N 2 0 338.540 2.480 10 0 EEAERP C[N@H+](CCCn1ccnc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000183175841 464814815 /nfs/dbraw/zinc/81/48/15/464814815.db2.gz YEDJLMGPRKWTDG-INIZCTEOSA-N 2 0 334.489 2.340 10 0 EEAERP C[C@H](c1cccc(F)c1)N1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000249276080 464856534 /nfs/dbraw/zinc/85/65/34/464856534.db2.gz KYYDJZYHXUOEAP-IAGOWNOFSA-N 2 0 335.467 2.225 10 0 EEAERP CN(CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cnccn1 ZINC000253417507 465005620 /nfs/dbraw/zinc/00/56/20/465005620.db2.gz XADVRRXTPSCAAE-UHFFFAOYSA-N 2 0 325.460 2.121 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000339851096 465548442 /nfs/dbraw/zinc/54/84/42/465548442.db2.gz RMMFHQUHPVDJCE-MRXNPFEDSA-N 2 0 326.529 2.480 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000339942536 465622991 /nfs/dbraw/zinc/62/29/91/465622991.db2.gz SWNDNBDACGGURO-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175174 465815062 /nfs/dbraw/zinc/81/50/62/465815062.db2.gz LUDCDKKLLSFOEE-MPGHIAIKSA-N 2 0 334.483 2.178 10 0 EEAERP COCc1cnc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000357348986 465970817 /nfs/dbraw/zinc/97/08/17/465970817.db2.gz HXIHZRAAPTXDMX-KBPBESRZSA-N 2 0 327.494 2.269 10 0 EEAERP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000353637362 466028540 /nfs/dbraw/zinc/02/85/40/466028540.db2.gz KXZYLTVRDNNCQP-YCPHGPKFSA-N 2 0 338.521 2.380 10 0 EEAERP COCCn1cc2c(n1)[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000353672307 466055829 /nfs/dbraw/zinc/05/58/29/466055829.db2.gz PZVNLVLQQSTFAM-BRSBDYLESA-N 2 0 332.492 2.369 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000354334280 466482476 /nfs/dbraw/zinc/48/24/76/466482476.db2.gz MGXFIDHBPGQHBB-QGZVFWFLSA-N 2 0 329.488 2.283 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417042948 466763145 /nfs/dbraw/zinc/76/31/45/466763145.db2.gz WWGNFFYLWVMOAO-SCTDSRPQSA-N 2 0 336.524 2.140 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373391076 466789120 /nfs/dbraw/zinc/78/91/20/466789120.db2.gz VNERFVCTJAPUKK-AOCRQIFASA-N 2 0 336.524 2.423 10 0 EEAERP COCCC[NH+]1CCC(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417442051 466859691 /nfs/dbraw/zinc/85/96/91/466859691.db2.gz SJAIINRLAXLXPH-OAHLLOKOSA-N 2 0 348.491 2.006 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417524923 466877017 /nfs/dbraw/zinc/87/70/17/466877017.db2.gz ACXKGRFWLFOJSX-SOLBZPMBSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417588282 466888030 /nfs/dbraw/zinc/88/80/30/466888030.db2.gz PBWQGZCCLNHGDZ-CRAIPNDOSA-N 2 0 330.476 2.043 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417999778 467016977 /nfs/dbraw/zinc/01/69/77/467016977.db2.gz WMQUFPGWKYIUGE-JCGIZDLHSA-N 2 0 346.475 2.010 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000424329987 467030859 /nfs/dbraw/zinc/03/08/59/467030859.db2.gz RGKYGNINAHIGJD-HZPDHXFCSA-N 2 0 333.476 2.146 10 0 EEAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418102110 467045588 /nfs/dbraw/zinc/04/55/88/467045588.db2.gz GYRYWXZVNCZVDX-IEBWSBKVSA-N 2 0 342.487 2.044 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418228012 467080203 /nfs/dbraw/zinc/08/02/03/467080203.db2.gz APUYLQCBZPRFTB-XYJFISCASA-N 2 0 332.492 2.324 10 0 EEAERP [NH3+]C[C@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccc2ccccc2c1 ZINC000418253763 467084904 /nfs/dbraw/zinc/08/49/04/467084904.db2.gz ZIXUUCHROABPQO-APWZRJJASA-N 2 0 349.438 2.419 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418449101 467113156 /nfs/dbraw/zinc/11/31/56/467113156.db2.gz JVFAOICUVSGFCE-GOSISDBHSA-N 2 0 332.492 2.450 10 0 EEAERP [NH3+]C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1 ZINC000418501862 467121110 /nfs/dbraw/zinc/12/11/10/467121110.db2.gz SVMSMXATYKNGEE-JKSUJKDBSA-N 2 0 348.397 2.136 10 0 EEAERP [NH3+]C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2c1 ZINC000418501857 467121332 /nfs/dbraw/zinc/12/13/32/467121332.db2.gz SVMSMXATYKNGEE-HOTGVXAUSA-N 2 0 348.397 2.136 10 0 EEAERP CCC[C@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](O)CCC)C2)C1 ZINC000451041889 467233103 /nfs/dbraw/zinc/23/31/03/467233103.db2.gz BVHPEKCWFBVWDD-ADUPEVMXSA-N 2 0 326.525 2.486 10 0 EEAERP Cc1ccccc1CC(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420297876 467342813 /nfs/dbraw/zinc/34/28/13/467342813.db2.gz GLKHGUGCMCDQCM-GOSISDBHSA-N 2 0 329.488 2.071 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420302934 467345324 /nfs/dbraw/zinc/34/53/24/467345324.db2.gz MTUBJCWQNWRXDN-KBPBESRZSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297753 467398973 /nfs/dbraw/zinc/39/89/73/467398973.db2.gz GNNNCPYUMZBPQS-XLIONFOSSA-N 2 0 343.515 2.086 10 0 EEAERP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397600963 467443356 /nfs/dbraw/zinc/44/33/56/467443356.db2.gz UGRIEBSCYKPOEQ-VQTJNVASSA-N 3 0 343.515 2.230 10 0 EEAERP COc1ccc2c(c1)C[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000415061883 467478570 /nfs/dbraw/zinc/47/85/70/467478570.db2.gz YZQJHMZVSLLHOY-IOJLRTSASA-N 2 0 343.515 2.359 10 0 EEAERP COc1c(C)cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000415134748 467498778 /nfs/dbraw/zinc/49/87/78/467498778.db2.gz WBYKXDUWXMWSJA-QGZVFWFLSA-N 2 0 329.448 2.199 10 0 EEAERP COCC[N@@H+]1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449156945 467621089 /nfs/dbraw/zinc/62/10/89/467621089.db2.gz UEMADJGTKHLATE-GHTZIAJQSA-N 2 0 345.531 2.392 10 0 EEAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449393253 467637219 /nfs/dbraw/zinc/63/72/19/467637219.db2.gz LWHWJUCRGLLLBB-RLLQIKCJSA-N 2 0 337.552 2.466 10 0 EEAERP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397541 467637846 /nfs/dbraw/zinc/63/78/46/467637846.db2.gz VNVLPKSMDUAIQA-HLAWJBBLSA-N 2 0 345.531 2.476 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449672799 467685345 /nfs/dbraw/zinc/68/53/45/467685345.db2.gz NHORVZKDHVVIEL-DOMZBBRYSA-N 2 0 340.349 2.321 10 0 EEAERP O[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)CC1(O)CCC1 ZINC000528508619 467691671 /nfs/dbraw/zinc/69/16/71/467691671.db2.gz XERLDWVNJSNOHW-WOJBJXKFSA-N 2 0 344.499 2.250 10 0 EEAERP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2COCCO2)CC3)cc1 ZINC000450640895 467884609 /nfs/dbraw/zinc/88/46/09/467884609.db2.gz HIACDBRBSSORKS-IBGZPJMESA-N 2 0 330.472 2.390 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000515341937 467986405 /nfs/dbraw/zinc/98/64/05/467986405.db2.gz CGUFYICWJCRHTF-IMFGXOCKSA-N 2 0 344.503 2.338 10 0 EEAERP CN(Cc1nc(-c2cccnc2)no1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515490762 467994453 /nfs/dbraw/zinc/99/44/53/467994453.db2.gz RQGOPWCCJSKUCX-UHFFFAOYSA-N 2 0 335.411 2.409 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493907230 468004074 /nfs/dbraw/zinc/00/40/74/468004074.db2.gz NNRGFSMNFPICIV-UHFFFAOYSA-N 2 0 331.504 2.350 10 0 EEAERP Cc1nc2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2s1 ZINC000494008233 468017126 /nfs/dbraw/zinc/01/71/26/468017126.db2.gz VOUWARXTQUXGNT-HNNXBMFYSA-N 2 0 346.500 2.282 10 0 EEAERP COC(=O)c1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000600762754 468651595 /nfs/dbraw/zinc/65/15/95/468651595.db2.gz WVEFQEOPWRPTFE-SFHVURJKSA-N 2 0 332.444 2.064 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926942 468723611 /nfs/dbraw/zinc/72/36/11/468723611.db2.gz ORRHMCTWQBLATA-GDAAHCPNSA-N 2 0 330.472 2.338 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000595011426 468743161 /nfs/dbraw/zinc/74/31/61/468743161.db2.gz YJLOGJDWIVNOKH-CVEARBPZSA-N 2 0 340.508 2.445 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1CC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000584001682 468784929 /nfs/dbraw/zinc/78/49/29/468784929.db2.gz SKYVIVKNFPFAJC-INIZCTEOSA-N 2 0 337.467 2.364 10 0 EEAERP CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571523762 468801274 /nfs/dbraw/zinc/80/12/74/468801274.db2.gz VQGHNQBJPKKBKA-SHUKQUCYSA-N 2 0 339.842 2.468 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CCC[NH2+]C1 ZINC000572856160 469010291 /nfs/dbraw/zinc/01/02/91/469010291.db2.gz AJGMXWZSIPXCSX-KRWDZBQOSA-N 2 0 344.503 2.471 10 0 EEAERP COC(=O)[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)O1 ZINC000599604303 469306870 /nfs/dbraw/zinc/30/68/70/469306870.db2.gz HCTNYLXPDFBEJZ-APWZRJJASA-N 2 0 346.471 2.435 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000618552449 469386387 /nfs/dbraw/zinc/38/63/87/469386387.db2.gz ZWNRHVMJFDWANU-SFHVURJKSA-N 2 0 332.492 2.422 10 0 EEAERP FCC[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](CCF)C2)CCO1 ZINC000626004191 469466212 /nfs/dbraw/zinc/46/62/12/469466212.db2.gz AZRKYXDOKYERJC-CALCHBBNSA-N 2 0 334.451 2.278 10 0 EEAERP C[C@@]1(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000612863805 469567191 /nfs/dbraw/zinc/56/71/91/469567191.db2.gz YUWZTZUYNODZMA-LJQANCHMSA-N 2 0 330.476 2.224 10 0 EEAERP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000629523733 469573281 /nfs/dbraw/zinc/57/32/81/469573281.db2.gz IQJXQCRREMPMNO-LDLYASANSA-N 2 0 329.488 2.280 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC1(C)C ZINC000623427766 469654311 /nfs/dbraw/zinc/65/43/11/469654311.db2.gz MBCMTEARWLHIBZ-SLFFLAALSA-N 2 0 345.531 2.332 10 0 EEAERP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721010 469744481 /nfs/dbraw/zinc/74/44/81/469744481.db2.gz FCBBCLKLLJDRNF-AEFFLSMTSA-N 2 0 336.524 2.423 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000626929127 469758042 /nfs/dbraw/zinc/75/80/42/469758042.db2.gz GZMJJRMGLFGSJS-IAGOWNOFSA-N 2 0 336.524 2.471 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000626929129 469758424 /nfs/dbraw/zinc/75/84/24/469758424.db2.gz GZMJJRMGLFGSJS-SJORKVTESA-N 2 0 336.524 2.471 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000626974466 469774087 /nfs/dbraw/zinc/77/40/87/469774087.db2.gz GRQVYINPHZRVCI-NVXWUHKLSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCCC[NH+]1CCCCC1)C2 ZINC000626982898 469777281 /nfs/dbraw/zinc/77/72/81/469777281.db2.gz VXMQWSQINMTBLB-KDURUIRLSA-N 2 0 336.524 2.284 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000627165304 469830970 /nfs/dbraw/zinc/83/09/70/469830970.db2.gz RJJQNIKNOJNWMS-ZWKOTPCHSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627195452 469840745 /nfs/dbraw/zinc/84/07/45/469840745.db2.gz KXJVNSFWEGRGAX-RHSMWYFYSA-N 2 0 336.455 2.039 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627197766 469841854 /nfs/dbraw/zinc/84/18/54/469841854.db2.gz NVGAVQBSNQWKEM-QAPCUYQASA-N 2 0 332.492 2.420 10 0 EEAERP C/C=C\C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624197597 469872411 /nfs/dbraw/zinc/87/24/11/469872411.db2.gz RFJRKSQUXHYGHP-IYKSTZQJSA-N 2 0 339.505 2.143 10 0 EEAERP [NH3+][C@@H](c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C1CCOCC1 ZINC000630591811 469914430 /nfs/dbraw/zinc/91/44/30/469914430.db2.gz HPBNSOSFSIOHCM-PKOBYXMFSA-N 2 0 341.459 2.152 10 0 EEAERP C[NH+]1CCN(c2cc[nH+]c(NCc3ccnn3-c3ccccn3)c2)CC1 ZINC000630961554 470038249 /nfs/dbraw/zinc/03/82/49/470038249.db2.gz QYGOBXFKYAAJMY-UHFFFAOYSA-N 2 0 349.442 2.026 10 0 EEAERP COc1ccc(COCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104374 470527744 /nfs/dbraw/zinc/52/77/44/470527744.db2.gz LMBLFYHMMIEXCK-UHFFFAOYSA-N 2 0 334.460 2.008 10 0 EEAERP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CC2 ZINC000639643008 470592748 /nfs/dbraw/zinc/59/27/48/470592748.db2.gz YEWNEWJWQKVROH-UYAOXDASSA-N 2 0 337.471 2.363 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)CC3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000646296309 470594492 /nfs/dbraw/zinc/59/44/92/470594492.db2.gz BNPRMQJJHFQVLZ-MJGOQNOKSA-N 2 0 343.471 2.361 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000646927400 470779682 /nfs/dbraw/zinc/77/96/82/470779682.db2.gz JYDDWULSJOHVPE-OALUTQOASA-N 2 0 341.499 2.451 10 0 EEAERP COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480974 470911519 /nfs/dbraw/zinc/91/15/19/470911519.db2.gz KQDRAQHKSKBDHR-HOTGVXAUSA-N 2 0 332.444 2.430 10 0 EEAERP NC(=O)CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657798335 471235118 /nfs/dbraw/zinc/23/51/18/471235118.db2.gz NNBUCIHHPWRYTB-UHFFFAOYSA-N 2 0 327.432 2.183 10 0 EEAERP [NH3+]CC1(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652131723 471241479 /nfs/dbraw/zinc/24/14/79/471241479.db2.gz KOQFQPRONQSYJL-KRWDZBQOSA-N 2 0 330.476 2.079 10 0 EEAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657918187 471248140 /nfs/dbraw/zinc/24/81/40/471248140.db2.gz BAMXOFCVNMNFTK-SCTDSRPQSA-N 2 0 342.524 2.297 10 0 EEAERP CN(C(=O)NCCC1(C[NH3+])CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000652240309 471260616 /nfs/dbraw/zinc/26/06/16/471260616.db2.gz WQNVBBJGHNDBHI-SFHVURJKSA-N 2 0 344.503 2.421 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000652288426 471267429 /nfs/dbraw/zinc/26/74/29/471267429.db2.gz IPJQOQPGIUEFDV-OAHLLOKOSA-N 2 0 332.492 2.278 10 0 EEAERP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139490 471270350 /nfs/dbraw/zinc/27/03/50/471270350.db2.gz MAPLNGKMANSFTJ-KDOFPFPSSA-N 2 0 328.460 2.146 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000655246146 471291715 /nfs/dbraw/zinc/29/17/15/471291715.db2.gz APUMTPHZAWOKTD-JENIJYKNSA-N 2 0 347.478 2.494 10 0 EEAERP CCN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000666213438 471318527 /nfs/dbraw/zinc/31/85/27/471318527.db2.gz FTDRVZZFTAJIGU-MRXNPFEDSA-N 2 0 328.420 2.215 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)Cc1ccccc1 ZINC000660507864 471372256 /nfs/dbraw/zinc/37/22/56/471372256.db2.gz LFWJPWHFQFMCNB-IBGZPJMESA-N 2 0 346.519 2.143 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000663449162 471383811 /nfs/dbraw/zinc/38/38/11/471383811.db2.gz BUZOLXHAIAQZOK-OAHLLOKOSA-N 2 0 336.505 2.088 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000663502824 471402694 /nfs/dbraw/zinc/40/26/94/471402694.db2.gz CAKNGVJVTKSVHW-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C[C@@H]1C ZINC000659040016 471482190 /nfs/dbraw/zinc/48/21/90/471482190.db2.gz MILHOAZVKSCZFJ-MPGHIAIKSA-N 2 0 346.475 2.294 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CCCC2)CC1 ZINC000653118278 471497906 /nfs/dbraw/zinc/49/79/06/471497906.db2.gz HMMVHHAJQWNIFQ-ZWKOTPCHSA-N 2 0 349.519 2.057 10 0 EEAERP [NH3+]C1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC2(CCC2)C1 ZINC000659289083 471568355 /nfs/dbraw/zinc/56/83/55/471568355.db2.gz ZOQWXCHQTCKQDJ-UHFFFAOYSA-N 2 0 337.533 2.126 10 0 EEAERP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659527283 471667343 /nfs/dbraw/zinc/66/73/43/471667343.db2.gz KLKAIHOEHUBHDJ-SJLPKXTDSA-N 2 0 344.503 2.325 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000664394436 471739412 /nfs/dbraw/zinc/73/94/12/471739412.db2.gz AJNGKNBLRFMJCW-INIZCTEOSA-N 2 0 326.529 2.384 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000667426310 471774732 /nfs/dbraw/zinc/77/47/32/471774732.db2.gz BAGZGQGIJRABMM-OAHLLOKOSA-N 2 0 344.434 2.244 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000667831555 471922364 /nfs/dbraw/zinc/92/23/64/471922364.db2.gz ULOHCZLHIXLDRZ-CQSZACIVSA-N 2 0 332.423 2.077 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000665287661 471991079 /nfs/dbraw/zinc/99/10/79/471991079.db2.gz QYSIUIHHAMGWFL-INIZCTEOSA-N 2 0 346.519 2.394 10 0 EEAERP C[N@H+](CCCNC(=O)C1CCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668064210 471994885 /nfs/dbraw/zinc/99/48/85/471994885.db2.gz GZQSGFDNIDGEET-UHFFFAOYSA-N 2 0 327.432 2.006 10 0 EEAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)CC1 ZINC000668169035 472036659 /nfs/dbraw/zinc/03/66/59/472036659.db2.gz GQFABPUMWMCUGB-KRWDZBQOSA-N 2 0 325.460 2.431 10 0 EEAERP c1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c2c(c1)C[NH2+]CC2 ZINC000662263128 472049260 /nfs/dbraw/zinc/04/92/60/472049260.db2.gz ZQMWXDOLBCIGGD-LJQANCHMSA-N 2 0 329.488 2.019 10 0 EEAERP OC1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000668240560 472055803 /nfs/dbraw/zinc/05/58/03/472055803.db2.gz LVWPIQUUMQMYSC-RBUKOAKNSA-N 2 0 330.472 2.171 10 0 EEAERP CCN(CCC[NH+](CC)CC)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662534361 472143518 /nfs/dbraw/zinc/14/35/18/472143518.db2.gz KVRRDBQJSVRRAY-UHFFFAOYSA-N 2 0 336.480 2.336 10 0 EEAERP C[C@@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC[NH2+]CC1 ZINC000662685732 472205290 /nfs/dbraw/zinc/20/52/90/472205290.db2.gz HEUUMLVDVYUMEC-KSSFIOAISA-N 2 0 331.460 2.312 10 0 EEAERP C[C@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000662687514 472207602 /nfs/dbraw/zinc/20/76/02/472207602.db2.gz ZHXCVFXWDCSIRQ-KYJSFNMBSA-N 2 0 331.460 2.312 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662696946 472211949 /nfs/dbraw/zinc/21/19/49/472211949.db2.gz ZWBQJJMVEOPUBF-ZFWWWQNUSA-N 2 0 342.443 2.434 10 0 EEAERP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662787223 472250767 /nfs/dbraw/zinc/25/07/67/472250767.db2.gz JKSLMLDLUPLOGK-HNNXBMFYSA-N 2 0 342.443 2.215 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000594927486 485605664 /nfs/dbraw/zinc/60/56/64/485605664.db2.gz VSKWBEZWRJZUSZ-ATZDWAIDSA-N 2 0 346.471 2.448 10 0 EEAERP CCC[NH+]1CCC(N(C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000674048094 485623652 /nfs/dbraw/zinc/62/36/52/485623652.db2.gz ZAQHNBBTBRTKHN-FQEVSTJZSA-N 2 0 333.520 2.286 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418456335 485681311 /nfs/dbraw/zinc/68/13/11/485681311.db2.gz FRYBHFWUJORDOI-CRAIPNDOSA-N 2 0 330.476 2.476 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)C(=O)NCC[NH+](C)C ZINC000683928538 485689006 /nfs/dbraw/zinc/68/90/06/485689006.db2.gz RPTBPELFUJWWCO-SFHVURJKSA-N 2 0 330.476 2.350 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000672754010 486184697 /nfs/dbraw/zinc/18/46/97/486184697.db2.gz HOUBUCLDZVNEJD-JZXOWHBKSA-N 2 0 332.492 2.380 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000673206947 486295246 /nfs/dbraw/zinc/29/52/46/486295246.db2.gz HZSBFBOKEIGSQM-HUUCEWRRSA-N 2 0 346.466 2.232 10 0 EEAERP CCCN(CCC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682555510 486505733 /nfs/dbraw/zinc/50/57/33/486505733.db2.gz BPOJPARURFGWDA-UHFFFAOYSA-N 2 0 330.436 2.463 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000363367785 521635086 /nfs/dbraw/zinc/63/50/86/521635086.db2.gz KGPMUMZJPAMCCU-QGZVFWFLSA-N 2 0 330.476 2.207 10 0 EEAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422841916 537062368 /nfs/dbraw/zinc/06/23/68/537062368.db2.gz XFBDJBAURMHPGE-USXIJHARSA-N 2 0 333.476 2.006 10 0 EEAERP COC[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775391665 577436505 /nfs/dbraw/zinc/43/65/05/577436505.db2.gz CJGCFJBCGIYDCS-QAPCUYQASA-N 2 0 336.476 2.339 10 0 EEAERP O=S1(=O)CCC(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000767351089 577535285 /nfs/dbraw/zinc/53/52/85/577535285.db2.gz UTMOTVFIZBOMSQ-UHFFFAOYSA-N 2 0 342.549 2.399 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000925678555 684831151 /nfs/dbraw/zinc/83/11/51/684831151.db2.gz FVUTZQOXVVSEDN-QWHCGFSZSA-N 2 0 342.281 2.106 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000898087849 691871651 /nfs/dbraw/zinc/87/16/51/691871651.db2.gz FONZEODJUQRNEE-FGTMMUONSA-N 2 0 329.488 2.321 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000925322465 692044352 /nfs/dbraw/zinc/04/43/52/692044352.db2.gz PPANSVJGADSUOW-SQNIBIBYSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000924724557 693283305 /nfs/dbraw/zinc/28/33/05/693283305.db2.gz ZQDWDUBBYABOBW-IRXDYDNUSA-N 2 0 331.504 2.195 10 0 EEAERP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001485576337 1191853432 /nfs/dbraw/zinc/85/34/32/1191853432.db2.gz CUIVBOWBPXCRBI-GOSISDBHSA-N 2 0 347.503 2.111 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@H]2C1 ZINC001485657257 1191891699 /nfs/dbraw/zinc/89/16/99/1191891699.db2.gz ISRGOLFBLVNGPS-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001485702978 1191905942 /nfs/dbraw/zinc/90/59/42/1191905942.db2.gz LKPIVJFHEXWWJG-GUDVDZBRSA-N 2 0 331.504 2.300 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cc(C)ncn1 ZINC001485750837 1191931815 /nfs/dbraw/zinc/93/18/15/1191931815.db2.gz CBMJIXHFAMIVNS-CRAIPNDOSA-N 2 0 347.507 2.034 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813838 1191978085 /nfs/dbraw/zinc/97/80/85/1191978085.db2.gz OHEFPSBZAUNJKD-OALUTQOASA-N 2 0 344.503 2.283 10 0 EEAERP CC1CC[NH+](CC(=O)NCC[N@H+](C)CCCCC(F)(F)F)CC1 ZINC001266342940 1176342632 /nfs/dbraw/zinc/34/26/32/1176342632.db2.gz YWTRONJJCQDZGW-UHFFFAOYSA-N 2 0 337.430 2.499 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001670557329 1176903973 /nfs/dbraw/zinc/90/39/73/1176903973.db2.gz SEKVDMXXYSGKPA-HNNXBMFYSA-N 2 0 338.883 2.060 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659793 1177074541 /nfs/dbraw/zinc/07/45/41/1177074541.db2.gz HBAWRMVMWIGWHD-HNNXBMFYSA-N 2 0 327.831 2.121 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266685616 1177197840 /nfs/dbraw/zinc/19/78/40/1177197840.db2.gz JIKWKJBSGNUXSD-CALCHBBNSA-N 2 0 339.524 2.303 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701797 1177227249 /nfs/dbraw/zinc/22/72/49/1177227249.db2.gz FTGPTWPPCTYORB-QGZVFWFLSA-N 2 0 335.879 2.230 10 0 EEAERP CN(CC[NH2+]CCOC1CCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724145 1177306439 /nfs/dbraw/zinc/30/64/39/1177306439.db2.gz FQXNDWSFPIPKOI-GOSISDBHSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267103811 1178250191 /nfs/dbraw/zinc/25/01/91/1178250191.db2.gz HEDPCHAQODPAMN-QGZVFWFLSA-N 2 0 339.524 2.209 10 0 EEAERP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267112506 1178270543 /nfs/dbraw/zinc/27/05/43/1178270543.db2.gz ZNZMHFFGIHPFNF-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001267373453 1178887501 /nfs/dbraw/zinc/88/75/01/1178887501.db2.gz VXVFNESTVWLVHG-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)n1ccc(CNCCN(C)C(=O)c2cc3c[nH]ccc-3n2)n1 ZINC001267390940 1178956391 /nfs/dbraw/zinc/95/63/91/1178956391.db2.gz QDFFYVDKAHMSQZ-UHFFFAOYSA-N 2 0 340.431 2.202 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)c2ccccc2CC[NH+](C)C)O1 ZINC001267409613 1178971570 /nfs/dbraw/zinc/97/15/70/1178971570.db2.gz UFEJHYHRWJFSTQ-FUHWJXTLSA-N 2 0 347.503 2.020 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)C)o1 ZINC001267500893 1179192533 /nfs/dbraw/zinc/19/25/33/1179192533.db2.gz FSWWHKHVRGWHOC-SFHVURJKSA-N 2 0 348.491 2.042 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001267735649 1180332876 /nfs/dbraw/zinc/33/28/76/1180332876.db2.gz ZJVBLZQDPPFDBI-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCC(F)(F)F)CCCC2)CC1 ZINC001267840947 1180617944 /nfs/dbraw/zinc/61/79/44/1180617944.db2.gz IBSOKGAFOAAPGP-UHFFFAOYSA-N 2 0 335.414 2.299 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001267965605 1180862414 /nfs/dbraw/zinc/86/24/14/1180862414.db2.gz MSCOWKBCDZZQRZ-CQSZACIVSA-N 2 0 335.414 2.251 10 0 EEAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001481400766 1181215480 /nfs/dbraw/zinc/21/54/80/1181215480.db2.gz SVMLAGYCBYPPNH-OALUTQOASA-N 2 0 333.520 2.441 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001268114951 1181759979 /nfs/dbraw/zinc/75/99/79/1181759979.db2.gz VLFLAXRCUYTKQH-GDBMZVCRSA-N 2 0 325.522 2.313 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001268140302 1181802320 /nfs/dbraw/zinc/80/23/20/1181802320.db2.gz HAJLBVQEBQIWIV-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001268149637 1181829537 /nfs/dbraw/zinc/82/95/37/1181829537.db2.gz DDORHNXXOKWYRU-IEBWSBKVSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)on1 ZINC001268161460 1181875308 /nfs/dbraw/zinc/87/53/08/1181875308.db2.gz BNQHOBAROQTHTH-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001268185933 1181971275 /nfs/dbraw/zinc/97/12/75/1181971275.db2.gz JMLVZSGPNCFEPC-KDOFPFPSSA-N 2 0 344.459 2.119 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732382 1182412512 /nfs/dbraw/zinc/41/25/12/1182412512.db2.gz MYSIKOHEGLBKND-RDJZCZTQSA-N 2 0 339.524 2.207 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001268426876 1182594344 /nfs/dbraw/zinc/59/43/44/1182594344.db2.gz SQCABEJFLAAIQR-CQSZACIVSA-N 2 0 338.496 2.297 10 0 EEAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001481779478 1182682227 /nfs/dbraw/zinc/68/22/27/1182682227.db2.gz SZIOJGIXJIUXCP-PKOBYXMFSA-N 2 0 344.503 2.155 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268458858 1182740846 /nfs/dbraw/zinc/74/08/46/1182740846.db2.gz UGKIRIKGWLUXLF-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001481878045 1182875670 /nfs/dbraw/zinc/87/56/70/1182875670.db2.gz HVACZUAGZGOTHI-KSSFIOAISA-N 2 0 333.451 2.393 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001482027156 1183155821 /nfs/dbraw/zinc/15/58/21/1183155821.db2.gz ZKKFRKCEGNPIQT-BQFCYCMXSA-N 2 0 339.524 2.159 10 0 EEAERP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001482031705 1183172045 /nfs/dbraw/zinc/17/20/45/1183172045.db2.gz XLCROLCULYEFPL-FHLIZLRMSA-N 2 0 335.467 2.481 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1)C1CCC1 ZINC001482059036 1183266638 /nfs/dbraw/zinc/26/66/38/1183266638.db2.gz XPGBRXPXIURYHK-MRXNPFEDSA-N 2 0 335.517 2.356 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001482062394 1183276994 /nfs/dbraw/zinc/27/69/94/1183276994.db2.gz KXGBWEFKGMHOFC-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC001268571500 1183298471 /nfs/dbraw/zinc/29/84/71/1183298471.db2.gz AQYRSXRMIAPDAJ-SREVYHEPSA-N 2 0 329.488 2.366 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001482100555 1183329058 /nfs/dbraw/zinc/32/90/58/1183329058.db2.gz FWGMJFBFAQVBPY-VQIMIIECSA-N 2 0 329.488 2.179 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001482173910 1183502740 /nfs/dbraw/zinc/50/27/40/1183502740.db2.gz SMJMFVTVWAZPON-CYBMUJFWSA-N 2 0 327.419 2.147 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1)[NH+]1CCCC1 ZINC001268716920 1183636898 /nfs/dbraw/zinc/63/68/98/1183636898.db2.gz NDHGXNBEWCWTID-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC001482202647 1183926629 /nfs/dbraw/zinc/92/66/29/1183926629.db2.gz JNPHGYNMTZFSGK-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269071817 1183939499 /nfs/dbraw/zinc/93/94/99/1183939499.db2.gz RLBFPTJGTMGRKF-KGLIPLIRSA-N 2 0 335.414 2.296 10 0 EEAERP CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001269287132 1184141407 /nfs/dbraw/zinc/14/14/07/1184141407.db2.gz GCGVQQZCTVUKQR-GOSISDBHSA-N 2 0 349.519 2.130 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2(NCc3coc(C)n3)CCCC2)CC[N@@H+]1C ZINC001482219189 1184275016 /nfs/dbraw/zinc/27/50/16/1184275016.db2.gz FTFIDSDLVREFRM-DLBZAZTESA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cnc(C)o2)CC1)[NH+](C)C ZINC001269907436 1184711147 /nfs/dbraw/zinc/71/11/47/1184711147.db2.gz DBGAHFFOQQTARP-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCF)[NH+]1CCCCC1 ZINC001270308720 1185007031 /nfs/dbraw/zinc/00/70/31/1185007031.db2.gz JZNLLCRQMCDXSQ-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001270647256 1185262453 /nfs/dbraw/zinc/26/24/53/1185262453.db2.gz BONVBIVGNPYBGH-SFHVURJKSA-N 2 0 336.480 2.104 10 0 EEAERP COCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270767880 1185377488 /nfs/dbraw/zinc/37/74/88/1185377488.db2.gz BHTKWYPIYNVVFU-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F)CC1 ZINC001482346989 1185470251 /nfs/dbraw/zinc/47/02/51/1185470251.db2.gz DPCBYXUMSUZWGR-ZDUSSCGKSA-N 2 0 337.430 2.496 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1OC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365593 1185524384 /nfs/dbraw/zinc/52/43/84/1185524384.db2.gz WUZREJJIIPOFRA-WBVHZDCISA-N 2 0 345.487 2.116 10 0 EEAERP COCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001271402643 1186189320 /nfs/dbraw/zinc/18/93/20/1186189320.db2.gz GCCRBBQQLXHSCG-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC001271425582 1186210311 /nfs/dbraw/zinc/21/03/11/1186210311.db2.gz IIUPRYGJBNLSCI-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271629549 1186343586 /nfs/dbraw/zinc/34/35/86/1186343586.db2.gz PEYXAAXIWWJWJJ-OLZOCXBDSA-N 2 0 335.414 2.107 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cscn1 ZINC001271698728 1186378775 /nfs/dbraw/zinc/37/87/75/1186378775.db2.gz FNIZTUAFTBLJJX-LSDHHAIUSA-N 2 0 338.521 2.059 10 0 EEAERP CC[C@H](C(=O)N(C)CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)[NH+](C)C ZINC001482606839 1187362428 /nfs/dbraw/zinc/36/24/28/1187362428.db2.gz WXIXGJDJLDXFMZ-CHWSQXEVSA-N 2 0 338.323 2.301 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3ccnc3)CC[C@@H]21 ZINC001482665154 1187542531 /nfs/dbraw/zinc/54/25/31/1187542531.db2.gz BENIFPXMBPTVJA-MSOLQXFVSA-N 2 0 348.491 2.013 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1nc(C)oc1C ZINC001482696242 1187666411 /nfs/dbraw/zinc/66/64/11/1187666411.db2.gz VLMOPBRKDMCHKJ-CVEARBPZSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699700 1187677177 /nfs/dbraw/zinc/67/71/77/1187677177.db2.gz ZDHFDGOTEMVCIM-SJLPKXTDSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482699993 1187678207 /nfs/dbraw/zinc/67/82/07/1187678207.db2.gz XZRLKRFAONPFPW-ZWKOTPCHSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482833268 1187753073 /nfs/dbraw/zinc/75/30/73/1187753073.db2.gz ISXXJOMNNJNJOX-LZLYRXPVSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861475 1187775307 /nfs/dbraw/zinc/77/53/07/1187775307.db2.gz VZKJMRRAFDTPIZ-CQSZACIVSA-N 2 0 348.491 2.411 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCOC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001482955476 1187881983 /nfs/dbraw/zinc/88/19/83/1187881983.db2.gz LDKBUYLLLHOQDT-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967744 1187905788 /nfs/dbraw/zinc/90/57/88/1187905788.db2.gz XVKVDXGMWCYPOI-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409372691 1189595290 /nfs/dbraw/zinc/59/52/90/1189595290.db2.gz NCOZNHPEXCRPPN-CHWSQXEVSA-N 2 0 331.451 2.246 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001485908337 1193636468 /nfs/dbraw/zinc/63/64/68/1193636468.db2.gz QBQFZHRQQYCNQD-CVEARBPZSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001485954909 1193647847 /nfs/dbraw/zinc/64/78/47/1193647847.db2.gz AUCMCTKLGFEIDS-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235748 1190017005 /nfs/dbraw/zinc/01/70/05/1190017005.db2.gz YMHKLEQZGVVSKT-IRXDYDNUSA-N 2 0 343.515 2.370 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485942680 1193653441 /nfs/dbraw/zinc/65/34/41/1193653441.db2.gz WKHPYOGGTFBMST-GJZGRUSLSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ccc(CCC[N@@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001409651363 1190151286 /nfs/dbraw/zinc/15/12/86/1190151286.db2.gz SGYOHZKXJCWIBK-GOSISDBHSA-N 2 0 343.515 2.460 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccns2)CCCCC1 ZINC001409763148 1190253446 /nfs/dbraw/zinc/25/34/46/1190253446.db2.gz OERKRBOBGVMBLI-OAHLLOKOSA-N 2 0 336.505 2.146 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001483285966 1190307875 /nfs/dbraw/zinc/30/78/75/1190307875.db2.gz NWVVZAUJDRNOOI-IRXDYDNUSA-N 2 0 331.504 2.228 10 0 EEAERP CN(CCC[NH2+]CC[C@H]1CCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483465578 1190489061 /nfs/dbraw/zinc/48/90/61/1190489061.db2.gz MJWJHWSHLHPHSI-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001483574138 1190563733 /nfs/dbraw/zinc/56/37/33/1190563733.db2.gz QJCWVPGERINAKS-GOSISDBHSA-N 2 0 341.459 2.411 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483606443 1190585512 /nfs/dbraw/zinc/58/55/12/1190585512.db2.gz YWKHRDZJCHUFOD-AEFFLSMTSA-N 2 0 333.451 2.070 10 0 EEAERP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1[NH2+]CCOC ZINC001483616329 1190592186 /nfs/dbraw/zinc/59/21/86/1190592186.db2.gz RUAPHJMFCMMUCD-QAPCUYQASA-N 2 0 344.459 2.119 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)n1 ZINC001486120806 1193687521 /nfs/dbraw/zinc/68/75/21/1193687521.db2.gz FHDKBLNNKAYUCZ-DOTOQJQBSA-N 2 0 332.492 2.236 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001272598698 1190913140 /nfs/dbraw/zinc/91/31/40/1190913140.db2.gz JATAZICWDSCYJH-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001272616493 1190931711 /nfs/dbraw/zinc/93/17/11/1190931711.db2.gz NBFFTMONQCXXCP-ZDUSSCGKSA-N 2 0 346.302 2.229 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001272623792 1190936305 /nfs/dbraw/zinc/93/63/05/1190936305.db2.gz DDKWUPYZFHQTTF-GOEBONIOSA-N 2 0 345.478 2.446 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917860 1191116228 /nfs/dbraw/zinc/11/62/28/1191116228.db2.gz YYXVXLDCLIKTII-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001484056396 1191184483 /nfs/dbraw/zinc/18/44/83/1191184483.db2.gz ARQQOGYBYRGPOT-HXUWFJFHSA-N 2 0 331.504 2.324 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[C@@H](C)n3ccnc3)C2)no1 ZINC001484113235 1191213846 /nfs/dbraw/zinc/21/38/46/1191213846.db2.gz DVSYSWNKVQKQED-RDTXWAMCSA-N 2 0 345.447 2.159 10 0 EEAERP CC1(CNC(=O)C23CCC[NH+](CCC2)C3)CC[NH+](CC2CC2)CC1 ZINC001484138810 1191229527 /nfs/dbraw/zinc/22/95/27/1191229527.db2.gz NXZKLJNAWPJMNE-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001484252391 1191289536 /nfs/dbraw/zinc/28/95/36/1191289536.db2.gz NDWJZDGEYBVJJW-QUCCMNQESA-N 2 0 347.503 2.031 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccccn1 ZINC001484464926 1191369418 /nfs/dbraw/zinc/36/94/18/1191369418.db2.gz LLCOVTCDINHGMR-RTBURBONSA-N 2 0 344.503 2.379 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC(C)C)C1 ZINC001484678293 1191467252 /nfs/dbraw/zinc/46/72/52/1191467252.db2.gz JWSQIEIDYAHZOT-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001484745329 1191496635 /nfs/dbraw/zinc/49/66/35/1191496635.db2.gz BBKAIXVJRYULPA-KRWDZBQOSA-N 2 0 336.480 2.138 10 0 EEAERP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484809186 1191532005 /nfs/dbraw/zinc/53/20/05/1191532005.db2.gz CLOQUPYQUZVACM-KRWDZBQOSA-N 2 0 330.476 2.037 10 0 EEAERP CC1([NH2+]CC[C@H]2CCCCO2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484927852 1191573882 /nfs/dbraw/zinc/57/38/82/1191573882.db2.gz XDSOJAYGWRAFEI-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001484943692 1191587934 /nfs/dbraw/zinc/58/79/34/1191587934.db2.gz RVDLJOXLFCTJEQ-SFHVURJKSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001485185356 1191680617 /nfs/dbraw/zinc/68/06/17/1191680617.db2.gz DGINVOBXCSRPBN-QWHCGFSZSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485186101 1191681327 /nfs/dbraw/zinc/68/13/27/1191681327.db2.gz MSDLEKUFLORTBU-GJZGRUSLSA-N 2 0 342.487 2.493 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485229252 1191698700 /nfs/dbraw/zinc/69/87/00/1191698700.db2.gz HXVTUOQYSKAYTF-QWHCGFSZSA-N 2 0 327.419 2.288 10 0 EEAERP Cc1ncccc1C[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485263812 1191710223 /nfs/dbraw/zinc/71/02/23/1191710223.db2.gz OXCUASGCKQNSHT-UHFFFAOYSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccnc1 ZINC001485356242 1191760590 /nfs/dbraw/zinc/76/05/90/1191760590.db2.gz BAPUZNABBGTTDI-WMZOPIPTSA-N 2 0 332.492 2.281 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)cn1 ZINC001485455064 1191791539 /nfs/dbraw/zinc/79/15/39/1191791539.db2.gz QWNRLSQLMBILCR-INIZCTEOSA-N 2 0 347.507 2.206 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cnccc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485461277 1191798410 /nfs/dbraw/zinc/79/84/10/1191798410.db2.gz GTSBLIZJMWVABI-ROUUACIJSA-N 2 0 332.492 2.249 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC[C@@H]1CCCO1)CC2 ZINC001486149589 1193700035 /nfs/dbraw/zinc/70/00/35/1193700035.db2.gz PAHSEYCHRWXNEG-LNLFQRSKSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486239668 1193765904 /nfs/dbraw/zinc/76/59/04/1193765904.db2.gz DSULGWYRYLNKAJ-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC[C@H]1CCCCO1)C(C)(C)C ZINC001486423021 1193936923 /nfs/dbraw/zinc/93/69/23/1193936923.db2.gz DTYRQPOZTGTPQZ-IAGOWNOFSA-N 2 0 341.540 2.406 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001486515805 1194035952 /nfs/dbraw/zinc/03/59/52/1194035952.db2.gz QKTFWJFUURWJIY-CQSZACIVSA-N 2 0 341.446 2.122 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001272993722 1194301702 /nfs/dbraw/zinc/30/17/02/1194301702.db2.gz JQSQMXBSTPBQII-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)Cc1c[nH]cn1 ZINC001273045248 1194350095 /nfs/dbraw/zinc/35/00/95/1194350095.db2.gz RGEDBOSLIVZVCM-NSHDSACASA-N 2 0 338.814 2.429 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)cc1 ZINC001410162775 1197576306 /nfs/dbraw/zinc/57/63/06/1197576306.db2.gz WWPDMNIBHACDFR-IEBWSBKVSA-N 2 0 347.503 2.041 10 0 EEAERP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001410212045 1197605864 /nfs/dbraw/zinc/60/58/64/1197605864.db2.gz OBWBWBSADBZYKK-ULQDDVLXSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(CF)cc3)C2)CC1 ZINC001410227301 1197617395 /nfs/dbraw/zinc/61/73/95/1197617395.db2.gz QBULIXCZFDGICY-IYARVYRRSA-N 2 0 347.478 2.482 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001410522429 1198079663 /nfs/dbraw/zinc/07/96/63/1198079663.db2.gz VVTRIPGOBWBSBE-LBPRGKRZSA-N 2 0 326.510 2.037 10 0 EEAERP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000865411465 1198202946 /nfs/dbraw/zinc/20/29/46/1198202946.db2.gz DKTDMROAVPLBTH-TZGCNFNXSA-N 2 0 335.492 2.460 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001410851434 1198502636 /nfs/dbraw/zinc/50/26/36/1198502636.db2.gz ICONEIYNOLUWNA-DOTOQJQBSA-N 2 0 349.523 2.074 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001410851477 1198502683 /nfs/dbraw/zinc/50/26/83/1198502683.db2.gz ICONEIYNOLUWNA-WBVHZDCISA-N 2 0 349.523 2.074 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CC[NH+](C)C ZINC001410853538 1198504831 /nfs/dbraw/zinc/50/48/31/1198504831.db2.gz JTKLCBAPOZJDPP-PBHICJAKSA-N 2 0 337.895 2.413 10 0 EEAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001411002022 1198678597 /nfs/dbraw/zinc/67/85/97/1198678597.db2.gz CSHPMOKCCWYVKC-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001411030203 1198709937 /nfs/dbraw/zinc/70/99/37/1198709937.db2.gz XDRMVCBXFZBFIT-HUUCEWRRSA-N 2 0 349.441 2.211 10 0 EEAERP Cc1cc(C)cc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000875735334 1199365614 /nfs/dbraw/zinc/36/56/14/1199365614.db2.gz DZUUWIHXBMKAQI-RTBURBONSA-N 2 0 346.519 2.184 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CC=CCC2)C[C@H]1C[NH+](C)C ZINC000875844612 1199407110 /nfs/dbraw/zinc/40/71/10/1199407110.db2.gz MEMJNZUEVJARQR-RCCFBDPRSA-N 2 0 336.524 2.114 10 0 EEAERP C/C(=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000870023364 1200412967 /nfs/dbraw/zinc/41/29/67/1200412967.db2.gz VPXIOJIROKYVBN-TXTZYTMVSA-N 2 0 347.478 2.427 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](CCCCO)CC1 ZINC000795102488 1200546517 /nfs/dbraw/zinc/54/65/17/1200546517.db2.gz YGKPFTRXRSJUFD-UHFFFAOYSA-N 2 0 333.407 2.277 10 0 EEAERP COc1cccc([C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH+]2CCCC2)c1 ZINC000870853566 1200912202 /nfs/dbraw/zinc/91/22/02/1200912202.db2.gz RSAYNHPPYJRIRT-HNAWSFBYSA-N 2 0 343.471 2.076 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000870919136 1200952642 /nfs/dbraw/zinc/95/26/42/1200952642.db2.gz SOZQKRGBEFYYOU-HLNWXESRSA-N 2 0 327.472 2.457 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cn2)CC1 ZINC000866225899 1201470122 /nfs/dbraw/zinc/47/01/22/1201470122.db2.gz GTFIWEAFVQPJFI-UYAOXDASSA-N 2 0 344.503 2.271 10 0 EEAERP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)nc12 ZINC000866704372 1201584335 /nfs/dbraw/zinc/58/43/35/1201584335.db2.gz OBECWDXMYSIMOR-IBGZPJMESA-N 2 0 328.460 2.200 10 0 EEAERP O=C(CCc1c[nH]cn1)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001274083053 1204362126 /nfs/dbraw/zinc/36/21/26/1204362126.db2.gz XQRDFGLISHFHJQ-ZMXQLYDGSA-N 2 0 342.418 2.431 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001274104730 1204373847 /nfs/dbraw/zinc/37/38/47/1204373847.db2.gz CNALHJJKVCYLLX-OSJSJHBBSA-N 2 0 339.430 2.313 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274430652 1205034445 /nfs/dbraw/zinc/03/44/45/1205034445.db2.gz QPJALBKCIQQCTC-YJZIAQIGSA-N 2 0 342.487 2.169 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C(C)(C)C1 ZINC001274453229 1205042994 /nfs/dbraw/zinc/04/29/94/1205042994.db2.gz HYJRCDYNHXZHOA-HZPDHXFCSA-N 2 0 336.480 2.087 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001274577825 1205085627 /nfs/dbraw/zinc/08/56/27/1205085627.db2.gz CRCJLGHDXDKGND-SHCNBLLESA-N 2 0 345.487 2.188 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2sccc2Cl)C1 ZINC001274579466 1205086891 /nfs/dbraw/zinc/08/68/91/1205086891.db2.gz UNQGDEBMVREESJ-DLGQBQFBSA-N 2 0 327.881 2.115 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275806736 1205542788 /nfs/dbraw/zinc/54/27/88/1205542788.db2.gz PMZQUXLFXWLRDU-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCCOC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001276007412 1205631505 /nfs/dbraw/zinc/63/15/05/1205631505.db2.gz SDCSJBZVEBNZQC-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC(F)(F)F ZINC001276100216 1205780410 /nfs/dbraw/zinc/78/04/10/1205780410.db2.gz ZKEOCFWAQQURRW-CQSZACIVSA-N 2 0 337.430 2.497 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001276170912 1205812364 /nfs/dbraw/zinc/81/23/64/1205812364.db2.gz SUHLIPVYQGHNTI-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924807830 1206034778 /nfs/dbraw/zinc/03/47/78/1206034778.db2.gz OIOOQCRTOAULHY-RBUKOAKNSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1ccnn1CC1CCC1)CN1CC[NH+](C)CC1 ZINC000924952641 1206054903 /nfs/dbraw/zinc/05/49/03/1206054903.db2.gz NUPFOOLDGHGKGP-SJORKVTESA-N 2 0 333.524 2.217 10 0 EEAERP C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cnn(C2CCC2)c1 ZINC000925020873 1206061643 /nfs/dbraw/zinc/06/16/43/1206061643.db2.gz SHGVSEQRVQUUBM-OAHLLOKOSA-N 2 0 347.507 2.201 10 0 EEAERP C[NH+](C)CCOc1ccc(CCN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925498236 1206119709 /nfs/dbraw/zinc/11/97/09/1206119709.db2.gz DFQFPXWMZFKING-IBGZPJMESA-N 2 0 331.504 2.434 10 0 EEAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1cccc(F)c1 ZINC000925505544 1206120814 /nfs/dbraw/zinc/12/08/14/1206120814.db2.gz SXUIZANOCPJGJJ-QRQLOZEOSA-N 2 0 336.451 2.323 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551058 1206126586 /nfs/dbraw/zinc/12/65/86/1206126586.db2.gz DYULUGLTTRVOHO-DABHTEOTSA-N 2 0 341.499 2.339 10 0 EEAERP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000925791808 1206154511 /nfs/dbraw/zinc/15/45/11/1206154511.db2.gz SICJYFQRLBFAGT-VYDXJSESSA-N 2 0 333.476 2.050 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ncc(-c2ccccc2)n1C ZINC000925817326 1206157186 /nfs/dbraw/zinc/15/71/86/1206157186.db2.gz QCMGIHQXTVJNMX-OAHLLOKOSA-N 2 0 327.476 2.161 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH2+]C2(C)C)CCOCC1 ZINC000925836247 1206158685 /nfs/dbraw/zinc/15/86/85/1206158685.db2.gz JHLLKRNJMHWFOI-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844433 1206159612 /nfs/dbraw/zinc/15/96/12/1206159612.db2.gz KSGNEFHOBNLXEN-CTNGQTDRSA-N 2 0 344.547 2.487 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC12CC[NH2+]CC2 ZINC000925852537 1206161028 /nfs/dbraw/zinc/16/10/28/1206161028.db2.gz VVSSMPSOQBJSHH-UPJWGTAASA-N 2 0 334.382 2.382 10 0 EEAERP CC(C)C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853763 1206161268 /nfs/dbraw/zinc/16/12/68/1206161268.db2.gz REOONAWFVAVAII-DOTOQJQBSA-N 2 0 331.460 2.444 10 0 EEAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)n1 ZINC000925872637 1206163196 /nfs/dbraw/zinc/16/31/96/1206163196.db2.gz IMTJPJJPGAKLJI-LYYZXLFJSA-N 2 0 334.464 2.015 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925901502 1206165698 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GEHBQIJWBCJVOJ-FQEVSTJZSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001490857262 1210208228 /nfs/dbraw/zinc/20/82/28/1210208228.db2.gz BWOQTPKFZPIXNE-MOPGFXCFSA-N 2 0 329.488 2.070 10 0 EEAERP CC(=O)N1CC[C@@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902396677 1237523027 /nfs/dbraw/zinc/52/30/27/1237523027.db2.gz GCRDYDFETAOCMF-RHSMWYFYSA-N 2 0 325.403 2.345 10 0 EEAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902739025 1238360843 /nfs/dbraw/zinc/36/08/43/1238360843.db2.gz HBWMXKAXFCDKDP-FUHWJXTLSA-N 2 0 331.504 2.242 10 0 EEAERP CC(C)C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000902740291 1238366049 /nfs/dbraw/zinc/36/60/49/1238366049.db2.gz REZGUMDRTDJZFC-SFHVURJKSA-N 2 0 325.541 2.443 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)N1CC[NH+](C)CC1 ZINC000902793364 1238544457 /nfs/dbraw/zinc/54/44/57/1238544457.db2.gz IKIYBZUFRPVYKT-SJORKVTESA-N 2 0 327.476 2.159 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000902924989 1239105666 /nfs/dbraw/zinc/10/56/66/1239105666.db2.gz DLYNRFWOARFYCL-MAUKXSAKSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000903431628 1240454277 /nfs/dbraw/zinc/45/42/77/1240454277.db2.gz SLYJEJYBXRHHAY-PBHICJAKSA-N 2 0 333.451 2.009 10 0 EEAERP Fc1ccc(OCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903509853 1240735634 /nfs/dbraw/zinc/73/56/34/1240735634.db2.gz BVBRVXFPVHPIRQ-HDICACEKSA-N 2 0 333.451 2.105 10 0 EEAERP COc1ccccc1[C@H]1CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897075 1242380998 /nfs/dbraw/zinc/38/09/98/1242380998.db2.gz YUJWHJNXYRFHIO-SJORKVTESA-N 2 0 342.487 2.344 10 0 EEAERP Cc1csc([C@@H]2CC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903937781 1242586934 /nfs/dbraw/zinc/58/69/34/1242586934.db2.gz RDHFCFIUGQKOJW-HUUCEWRRSA-N 2 0 333.505 2.100 10 0 EEAERP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1OC(=O)C1CC1 ZINC000903977291 1242825970 /nfs/dbraw/zinc/82/59/70/1242825970.db2.gz OBGIVPIWMQFODQ-CZUORRHYSA-N 2 0 332.444 2.427 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491112436 1258688408 /nfs/dbraw/zinc/68/84/08/1258688408.db2.gz ZBAMPHYBDBXQEC-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491184264 1258748603 /nfs/dbraw/zinc/74/86/03/1258748603.db2.gz JPIAPHQZNUKDGX-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCCCF)CC[N@@H+]1C ZINC001491213746 1258788963 /nfs/dbraw/zinc/78/89/63/1258788963.db2.gz KVDHDOAOXCGEGL-IXDOHACOSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001491453908 1259104477 /nfs/dbraw/zinc/10/44/77/1259104477.db2.gz DWMLRGRJCOLOMV-FUHWJXTLSA-N 2 0 333.476 2.033 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273753505 1284819892 /nfs/dbraw/zinc/81/98/92/1284819892.db2.gz UCBMIGVCWPVBFW-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOC(C)C)CC(C)(C)C1 ZINC001489350681 1290535934 /nfs/dbraw/zinc/53/59/34/1290535934.db2.gz YKBSHGPAZAJRMJ-KRWDZBQOSA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cccc(Cl)n1 ZINC001490280981 1291108071 /nfs/dbraw/zinc/10/80/71/1291108071.db2.gz DBWLNOKDSNAMTM-UHFFFAOYSA-N 2 0 326.872 2.013 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)Cc1cnc(C)o1 ZINC001490331784 1291224787 /nfs/dbraw/zinc/22/47/87/1291224787.db2.gz XMTPGEYZRJOCCW-UHFFFAOYSA-N 2 0 348.491 2.187 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(OC)cc1 ZINC001490356058 1291295180 /nfs/dbraw/zinc/29/51/80/1291295180.db2.gz ZOHRMQVRLHHGMB-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CC(C)COCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001490409800 1291321582 /nfs/dbraw/zinc/32/15/82/1291321582.db2.gz RLPTZHQWCGQIOM-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001490595573 1291496845 /nfs/dbraw/zinc/49/68/45/1291496845.db2.gz OEBDLSHPISRWSN-SJORKVTESA-N 2 0 339.499 2.437 10 0 EEAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001490711984 1291598473 /nfs/dbraw/zinc/59/84/73/1291598473.db2.gz HZMLQYGNHDJMPA-QYZOEREBSA-N 2 0 329.488 2.225 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOCC(F)F)C2)ccn1 ZINC000856584558 1293573028 /nfs/dbraw/zinc/57/30/28/1293573028.db2.gz MOXWXNUWQRGXTP-INIZCTEOSA-N 2 0 343.418 2.268 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCC(=O)O3)C2)ccn1 ZINC000856605432 1293580536 /nfs/dbraw/zinc/58/05/36/1293580536.db2.gz WXKZWDQQVPRWPN-QZTJIDSGSA-N 2 0 347.459 2.081 10 0 EEAERP CN(CCC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)C[NH+]1CCCC1 ZINC001276386809 1296519323 /nfs/dbraw/zinc/51/93/23/1296519323.db2.gz NZCISBAAPIMPPP-OAHLLOKOSA-N 2 0 331.451 2.346 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC[N@@H+]1C ZINC000864567806 1296596615 /nfs/dbraw/zinc/59/66/15/1296596615.db2.gz VZXAFUPWLCOWCW-RBUKOAKNSA-N 2 0 344.503 2.497 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000926990914 1296981288 /nfs/dbraw/zinc/98/12/88/1296981288.db2.gz PNQLVCTYZVJOCW-PWLXQIBMSA-N 2 0 335.492 2.029 10 0 EEAERP C[NH+](C)C1(C)CCN(C/C=C/CN2CCC(C)([NH+](C)C)CC2)CC1 ZINC000931355719 1297154026 /nfs/dbraw/zinc/15/40/26/1297154026.db2.gz WQKDIKCGTHMEMQ-BQYQJAHWSA-N 2 0 336.568 2.375 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355847 1302613006 /nfs/dbraw/zinc/61/30/06/1302613006.db2.gz NFWAJHCMVLDCAY-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001277684197 1304180723 /nfs/dbraw/zinc/18/07/23/1304180723.db2.gz DWTWPIUYNYYIHZ-SJORKVTESA-N 2 0 335.517 2.211 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000840747650 1315405611 /nfs/dbraw/zinc/40/56/11/1315405611.db2.gz URGLJTKQRMUEOK-KURKYZTESA-N 2 0 325.541 2.037 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000842671364 1315751206 /nfs/dbraw/zinc/75/12/06/1315751206.db2.gz TUWIATGYLZWSQJ-UHFFFAOYSA-N 2 0 341.503 2.298 10 0 EEAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1(O)CCCCC1 ZINC000843096034 1315840763 /nfs/dbraw/zinc/84/07/63/1315840763.db2.gz QNXRWKIUTKXJQW-LJQANCHMSA-N 2 0 332.488 2.428 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)cc2F)CC1 ZINC001152768696 1316721041 /nfs/dbraw/zinc/72/10/41/1316721041.db2.gz WMDFAOHOLCRNSH-OAHLLOKOSA-N 2 0 348.466 2.248 10 0 EEAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001278523025 1317136315 /nfs/dbraw/zinc/13/63/15/1317136315.db2.gz BWWNZNRVFQXYJG-GOSISDBHSA-N 2 0 327.432 2.119 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001278573399 1317262405 /nfs/dbraw/zinc/26/24/05/1317262405.db2.gz WDOYBXGQLNRMCO-ZFWWWQNUSA-N 2 0 337.430 2.353 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001264121877 1322633810 /nfs/dbraw/zinc/63/38/10/1322633810.db2.gz BEWXSMGENXRUGL-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(Cl)c1 ZINC001265058238 1322898843 /nfs/dbraw/zinc/89/88/43/1322898843.db2.gz NDWLJSMXFIXYRR-UHFFFAOYSA-N 2 0 335.879 2.374 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C[C@H]1CCC(F)(F)C1 ZINC001265064304 1322903046 /nfs/dbraw/zinc/90/30/46/1322903046.db2.gz ZCJRGRRBSIJNBV-RDJZCZTQSA-N 2 0 343.462 2.346 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cnc(C)o1 ZINC001265147858 1322949123 /nfs/dbraw/zinc/94/91/23/1322949123.db2.gz MWOBSSVUDQRYCI-HUUCEWRRSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001265572289 1323225329 /nfs/dbraw/zinc/22/53/29/1323225329.db2.gz DAIGBFUHDDQOPF-RWMBFGLXSA-N 2 0 336.307 2.147 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001265846239 1323421303 /nfs/dbraw/zinc/42/13/03/1323421303.db2.gz KTCAKLIEDGCDJR-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001265905294 1323474092 /nfs/dbraw/zinc/47/40/92/1323474092.db2.gz HTGPRAOKHWZEHM-OALUTQOASA-N 2 0 333.520 2.489 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001265945671 1323508636 /nfs/dbraw/zinc/50/86/36/1323508636.db2.gz UEQUABCPHDZIOA-MOPGFXCFSA-N 2 0 329.488 2.070 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266021270 1323573721 /nfs/dbraw/zinc/57/37/21/1323573721.db2.gz VBERTUZLMPRFFI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1cnccn1 ZINC001266095046 1323655248 /nfs/dbraw/zinc/65/52/48/1323655248.db2.gz KFLOTPOSLKBQDQ-QGZVFWFLSA-N 2 0 347.507 2.098 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccccc2F)C2CC2)C1 ZINC001266174687 1323741711 /nfs/dbraw/zinc/74/17/11/1323741711.db2.gz QMUHHNBMILZIOU-MRXNPFEDSA-N 2 0 333.451 2.248 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266219111 1323788355 /nfs/dbraw/zinc/78/83/55/1323788355.db2.gz DBEZNJMDEFDFTM-INIZCTEOSA-N 2 0 348.491 2.328 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001280455233 1324234677 /nfs/dbraw/zinc/23/46/77/1324234677.db2.gz IESVZAMROMVNNA-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317162499 1325564488 /nfs/dbraw/zinc/56/44/88/1325564488.db2.gz UGLOVPWQTGNXDY-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccccc1CCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282073773 1325610917 /nfs/dbraw/zinc/61/09/17/1325610917.db2.gz HCDRVSKCUHWTQV-SKINQDTJSA-N 2 0 343.515 2.364 10 0 EEAERP COCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001282462551 1325726948 /nfs/dbraw/zinc/72/69/48/1325726948.db2.gz WAOPEXZMBFSFKS-YJBOKZPZSA-N 2 0 345.503 2.062 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)co1 ZINC001283193122 1325951358 /nfs/dbraw/zinc/95/13/58/1325951358.db2.gz YJKXUASIDGDJND-HNNXBMFYSA-N 2 0 348.491 2.234 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncn1C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001283248150 1325970498 /nfs/dbraw/zinc/97/04/98/1325970498.db2.gz LRKIBVPSIJFNAN-IAGOWNOFSA-N 2 0 349.523 2.059 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCOC1CCC1 ZINC001283613614 1326162793 /nfs/dbraw/zinc/16/27/93/1326162793.db2.gz YNDXICYDWXTOEA-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOc2ccc(C)cc2)C[C@@H]1C ZINC001284019424 1326365349 /nfs/dbraw/zinc/36/53/49/1326365349.db2.gz YVVUUQWXUIQVDE-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001284686767 1326666942 /nfs/dbraw/zinc/66/69/42/1326666942.db2.gz WNGXZSZETUUNSW-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001284927179 1326779529 /nfs/dbraw/zinc/77/95/29/1326779529.db2.gz AKKYYLQZLBARKI-RBUKOAKNSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001491859508 1330266565 /nfs/dbraw/zinc/26/65/65/1330266565.db2.gz VVUYFMHXQXYYCL-OAHLLOKOSA-N 2 0 338.521 2.038 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)cc1F ZINC001492127413 1330980798 /nfs/dbraw/zinc/98/07/98/1330980798.db2.gz FHNULBWSQTULRT-CYBMUJFWSA-N 2 0 325.403 2.045 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492129921 1330982931 /nfs/dbraw/zinc/98/29/31/1330982931.db2.gz UZBOONXQTWDNPL-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP CCOCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001316711242 1331858719 /nfs/dbraw/zinc/85/87/19/1331858719.db2.gz QTDNEYZBGBJICI-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316770405 1331883728 /nfs/dbraw/zinc/88/37/28/1331883728.db2.gz JSHCCHRFIUQVEK-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001316807005 1331903710 /nfs/dbraw/zinc/90/37/10/1331903710.db2.gz WEHIJYHPMSACPQ-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001316877627 1331945623 /nfs/dbraw/zinc/94/56/23/1331945623.db2.gz SJKYQCJQNGQWOD-KSSFIOAISA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001317034330 1332052055 /nfs/dbraw/zinc/05/20/55/1332052055.db2.gz NDQANXKSTCUVFK-OAHLLOKOSA-N 2 0 338.883 2.060 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001317191042 1332123289 /nfs/dbraw/zinc/12/32/89/1332123289.db2.gz WJYGJZWOSQLVPG-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001317302303 1332170817 /nfs/dbraw/zinc/17/08/17/1332170817.db2.gz RDXRFYBSRXCQSY-DLBZAZTESA-N 2 0 325.472 2.357 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC001317308610 1332173692 /nfs/dbraw/zinc/17/36/92/1332173692.db2.gz NKHUOHUQIMVXST-LBPRGKRZSA-N 2 0 344.912 2.219 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001317332345 1332183031 /nfs/dbraw/zinc/18/30/31/1332183031.db2.gz ANCPMOKWKKHALG-ZAOIQFLMSA-N 2 0 329.488 2.480 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1cncc(F)c1 ZINC001317425899 1332229578 /nfs/dbraw/zinc/22/95/78/1332229578.db2.gz DFYVPVNVUGIIRI-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP C[N@H+](CCCCc1ccccc1)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317459298 1332252272 /nfs/dbraw/zinc/25/22/72/1332252272.db2.gz MMUQVGGREZQKSY-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCOc1ccc(C)cc1 ZINC001317664626 1332358977 /nfs/dbraw/zinc/35/89/77/1332358977.db2.gz LPABTFGSMGLJJN-LJQANCHMSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317670869 1332362507 /nfs/dbraw/zinc/36/25/07/1332362507.db2.gz YCBRFZDLFUVOMM-CHWSQXEVSA-N 2 0 338.521 2.181 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001318802364 1332599648 /nfs/dbraw/zinc/59/96/48/1332599648.db2.gz ASJAMWXVJVHPDK-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319541500 1332718497 /nfs/dbraw/zinc/71/84/97/1332718497.db2.gz UIPIDILPDIOJRA-SJORKVTESA-N 2 0 327.513 2.112 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319644140 1332732876 /nfs/dbraw/zinc/73/28/76/1332732876.db2.gz WLHGQUGOJXYJPH-RTBURBONSA-N 2 0 331.504 2.301 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001319667329 1332737725 /nfs/dbraw/zinc/73/77/25/1332737725.db2.gz FEHRMRMVEIWSIW-NVXWUHKLSA-N 2 0 327.488 2.485 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001319710318 1332747885 /nfs/dbraw/zinc/74/78/85/1332747885.db2.gz LVEFVYGKYGVOBS-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCF)C1 ZINC001319769169 1332762865 /nfs/dbraw/zinc/76/28/65/1332762865.db2.gz KORBJZYEXXETKR-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001319775651 1332764559 /nfs/dbraw/zinc/76/45/59/1332764559.db2.gz XBYPKKHGKYZBLD-INIZCTEOSA-N 2 0 348.491 2.365 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C[NH2+]CCCF ZINC001319871241 1332789587 /nfs/dbraw/zinc/78/95/87/1332789587.db2.gz VHTABSQEMGAVCD-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001320451589 1332887178 /nfs/dbraw/zinc/88/71/78/1332887178.db2.gz YDGXFJLHZNOYHR-XJKSGUPXSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)nc1 ZINC001320564262 1332911665 /nfs/dbraw/zinc/91/16/65/1332911665.db2.gz QZSDJERVQDSBRM-IAGOWNOFSA-N 2 0 347.507 2.032 10 0 EEAERP CCN(CC[NH2+]Cc1cc(O)ccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320694697 1332936451 /nfs/dbraw/zinc/93/64/51/1332936451.db2.gz VCEYFACSCFOXEF-MRXNPFEDSA-N 2 0 339.867 2.078 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C\C[NH2+]Cc2cccnc2)C1 ZINC001321248277 1333054351 /nfs/dbraw/zinc/05/43/51/1333054351.db2.gz AIMYDFMOUGRWFZ-PHWHVTFISA-N 2 0 348.466 2.056 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001321282178 1333063754 /nfs/dbraw/zinc/06/37/54/1333063754.db2.gz VQTWCAHKFJHAAF-ZMBJWTFHSA-N 2 0 344.503 2.415 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321394125 1333093979 /nfs/dbraw/zinc/09/39/79/1333093979.db2.gz VVSLRXCLRNSKAO-DKFQHHCZSA-N 2 0 345.487 2.188 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322566380 1333284328 /nfs/dbraw/zinc/28/43/28/1333284328.db2.gz MBPVPOQMOJENKI-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001322590610 1333289389 /nfs/dbraw/zinc/28/93/89/1333289389.db2.gz GEHSENBCNUGQPA-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001325454192 1333889340 /nfs/dbraw/zinc/88/93/40/1333889340.db2.gz DHNRUGMLWGHLGZ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001326333094 1334070394 /nfs/dbraw/zinc/07/03/94/1334070394.db2.gz OHKFXMOXASPUPZ-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC001326816216 1334163815 /nfs/dbraw/zinc/16/38/15/1334163815.db2.gz FWBYRIDYGHNGAM-DZGCQCFKSA-N 2 0 338.883 2.281 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@](CO)([NH2+]CCCC(C)(C)C)C1 ZINC001327580374 1334317874 /nfs/dbraw/zinc/31/78/74/1334317874.db2.gz HHONZGJOILVCIP-LJQANCHMSA-N 2 0 341.540 2.098 10 0 EEAERP Cn1nccc1C[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001329940165 1334745783 /nfs/dbraw/zinc/74/57/83/1334745783.db2.gz XIOQGZYZALCOCY-KRWDZBQOSA-N 2 0 349.523 2.013 10 0 EEAERP CCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001330160410 1334790083 /nfs/dbraw/zinc/79/00/83/1334790083.db2.gz KCFYKMGBEJUHFS-LJQANCHMSA-N 2 0 349.519 2.108 10 0 EEAERP Cc1nocc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330898638 1334923510 /nfs/dbraw/zinc/92/35/10/1334923510.db2.gz INGBJMFCQPQVKK-DZKIICNBSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ncc(Cl)s1)NC(=O)C[NH+]1CCCC1 ZINC001330976177 1334939159 /nfs/dbraw/zinc/93/91/59/1334939159.db2.gz GMDZWHKRPPWBHQ-GFCCVEGCSA-N 2 0 344.912 2.267 10 0 EEAERP CCCCOCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001332387922 1335815746 /nfs/dbraw/zinc/81/57/46/1335815746.db2.gz NEKXCBLVLDNIGS-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001332460448 1335828995 /nfs/dbraw/zinc/82/89/95/1335828995.db2.gz RUDJVGZPDRZUBR-ZIAGYGMSSA-N 2 0 335.414 2.131 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]C/C=C\Cl)cc2F)C1 ZINC001333478942 1336056255 /nfs/dbraw/zinc/05/62/55/1336056255.db2.gz GJFSIHNWBPNUPO-ANPLFTBSSA-N 2 0 339.842 2.236 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CC2)[C@H]1c1ccc(F)cc1 ZINC001345139539 1337427780 /nfs/dbraw/zinc/42/77/80/1337427780.db2.gz AKXKFSYWYLUCRP-IAGOWNOFSA-N 2 0 334.439 2.012 10 0 EEAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCC[C@H]1O ZINC001434469919 1341851527 /nfs/dbraw/zinc/85/15/27/1341851527.db2.gz RMUKWXJQMKKOTC-LEWJYISDSA-N 2 0 345.531 2.287 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCCc2ccccc2)C1 ZINC001436322244 1342026686 /nfs/dbraw/zinc/02/66/86/1342026686.db2.gz NDDWBOZXNPOFLF-QUCCMNQESA-N 2 0 343.515 2.494 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(F)c1)CC2 ZINC001449016051 1342084857 /nfs/dbraw/zinc/08/48/57/1342084857.db2.gz QVCQADMQMYOKLY-PKOBYXMFSA-N 2 0 333.451 2.391 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCCCF ZINC001674141257 1356796976 /nfs/dbraw/zinc/79/69/76/1356796976.db2.gz KFNFCALFLSUALO-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567017189 1342679605 /nfs/dbraw/zinc/67/96/05/1342679605.db2.gz VOYQJOFGQREYQM-UKRRQHHQSA-N 2 0 338.883 2.202 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567138251 1342700052 /nfs/dbraw/zinc/70/00/52/1342700052.db2.gz DGNPCGAWIIETFM-KRWDZBQOSA-N 2 0 331.504 2.181 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001569520992 1342891943 /nfs/dbraw/zinc/89/19/43/1342891943.db2.gz FAEPBDFVKDCOHJ-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001569682993 1342923474 /nfs/dbraw/zinc/92/34/74/1342923474.db2.gz AKNXFKNVLAHDNR-AZUAARDMSA-N 2 0 331.504 2.398 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001569682994 1342923527 /nfs/dbraw/zinc/92/35/27/1342923527.db2.gz AKNXFKNVLAHDNR-ICSRJNTNSA-N 2 0 331.504 2.398 10 0 EEAERP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001569687135 1342924074 /nfs/dbraw/zinc/92/40/74/1342924074.db2.gz ODWCWMXYBPSPCX-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569915978 1342976662 /nfs/dbraw/zinc/97/66/62/1342976662.db2.gz WERFVBKICUKSPP-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP CCC1([NH2+]Cc2cnn(C)c2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001570263448 1343044255 /nfs/dbraw/zinc/04/42/55/1343044255.db2.gz PHFVHWNPJTZLQR-UHFFFAOYSA-N 2 0 349.523 2.013 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001570626546 1343093621 /nfs/dbraw/zinc/09/36/21/1343093621.db2.gz FEXRMIWLUZQQMH-OLZOCXBDSA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001571073083 1343161070 /nfs/dbraw/zinc/16/10/70/1343161070.db2.gz MUPPMZRTXQSWLO-QZTJIDSGSA-N 2 0 349.519 2.034 10 0 EEAERP COCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001571480478 1343216987 /nfs/dbraw/zinc/21/69/87/1343216987.db2.gz DRVUYQVYVQIDKP-GDBMZVCRSA-N 2 0 344.459 2.262 10 0 EEAERP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001676228385 1357123852 /nfs/dbraw/zinc/12/38/52/1357123852.db2.gz PAJJFOVHMAKNHX-GOSISDBHSA-N 2 0 333.520 2.489 10 0 EEAERP COc1ccccc1CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001676757021 1357195020 /nfs/dbraw/zinc/19/50/20/1357195020.db2.gz UZVCRIPNOUAWJC-SJLPKXTDSA-N 2 0 347.503 2.159 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC001677594936 1357367222 /nfs/dbraw/zinc/36/72/22/1357367222.db2.gz YCXYMMNXAQAZEK-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001646954054 1353069957 /nfs/dbraw/zinc/06/99/57/1353069957.db2.gz QWUUCNLTOJMJTB-XMTFNYHQSA-N 2 0 336.524 2.136 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC=C(Cl)Cl)CC[N@@H+]1C ZINC001649446748 1353510319 /nfs/dbraw/zinc/51/03/19/1353510319.db2.gz GUOPNIJYOAOBLZ-FRRDWIJNSA-N 2 0 336.307 2.378 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001671246559 1353624410 /nfs/dbraw/zinc/62/44/10/1353624410.db2.gz UPIIBBTTXKBIHV-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+]CC[C@H]2CCCO2)C1 ZINC001656566689 1354248613 /nfs/dbraw/zinc/24/86/13/1354248613.db2.gz DJZDQFVALHKILO-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001656910141 1354298955 /nfs/dbraw/zinc/29/89/55/1354298955.db2.gz VHNJELIMFUYKCR-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657043224 1354312013 /nfs/dbraw/zinc/31/20/13/1354312013.db2.gz BKFOKZIMNMUYJU-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCc1ccccc1 ZINC001660145102 1354403406 /nfs/dbraw/zinc/40/34/06/1354403406.db2.gz ASQHZZPMBZBFPS-LJQANCHMSA-N 2 0 329.488 2.009 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(C)nc1C ZINC001660528844 1354482054 /nfs/dbraw/zinc/48/20/54/1354482054.db2.gz HCGRBSGKYTWBDS-IEBWSBKVSA-N 2 0 346.519 2.367 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001660627642 1354503686 /nfs/dbraw/zinc/50/36/86/1354503686.db2.gz BXZUDDGGEOZIEF-IEBWSBKVSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001661027833 1354576320 /nfs/dbraw/zinc/57/63/20/1354576320.db2.gz CROBYANRQNPMMM-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554809 1354657336 /nfs/dbraw/zinc/65/73/36/1354657336.db2.gz GKLQRHFWNAYJFA-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001662680913 1354825507 /nfs/dbraw/zinc/82/55/07/1354825507.db2.gz VHIWUAGDIVJXSL-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001662733927 1354834364 /nfs/dbraw/zinc/83/43/64/1354834364.db2.gz YFMLOVWUUAHAKV-SBSDFTTDSA-N 2 0 327.900 2.443 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[C@H]([NH2+]CCCO)C1 ZINC001662765080 1354841413 /nfs/dbraw/zinc/84/14/13/1354841413.db2.gz CUNPCNRPXLFMQS-HOTGVXAUSA-N 2 0 339.524 2.039 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001663072370 1354908307 /nfs/dbraw/zinc/90/83/07/1354908307.db2.gz RUGWCCXZWXXEHN-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001663099297 1354913907 /nfs/dbraw/zinc/91/39/07/1354913907.db2.gz UPOPOLNUJAFKBW-RNOHYWCBSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001663105644 1354915644 /nfs/dbraw/zinc/91/56/44/1354915644.db2.gz WPKDOJOFERPTLX-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001666218979 1355487410 /nfs/dbraw/zinc/48/74/10/1355487410.db2.gz JEVJRPKLOLXLLU-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cnc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001666244804 1355493676 /nfs/dbraw/zinc/49/36/76/1355493676.db2.gz ILNPUCXGYZPFOB-OAHLLOKOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cnc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001666244803 1355493783 /nfs/dbraw/zinc/49/37/83/1355493783.db2.gz ILNPUCXGYZPFOB-HNNXBMFYSA-N 2 0 348.491 2.043 10 0 EEAERP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCF)CC1 ZINC001666249279 1355494330 /nfs/dbraw/zinc/49/43/30/1355494330.db2.gz JFHKXERXIOHTAH-IAGOWNOFSA-N 2 0 325.472 2.191 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001666302514 1355506078 /nfs/dbraw/zinc/50/60/78/1355506078.db2.gz LBQBAQIKHHLUKC-XSLAGTTESA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001667101264 1355648464 /nfs/dbraw/zinc/64/84/64/1355648464.db2.gz NKJXVESFCPSGKY-AWEZNQCLSA-N 2 0 337.430 2.401 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1nocc1C ZINC001667295440 1355700571 /nfs/dbraw/zinc/70/05/71/1355700571.db2.gz BZLZAIAACFIJHD-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001668097425 1355869823 /nfs/dbraw/zinc/86/98/23/1355869823.db2.gz VIHKDLTUVNUWFN-DLBZAZTESA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001668262809 1355911090 /nfs/dbraw/zinc/91/10/90/1355911090.db2.gz GJRYIEVSKRGLBK-CQSZACIVSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001668309769 1355920755 /nfs/dbraw/zinc/92/07/55/1355920755.db2.gz MEBCUNFGQWQTFR-GFCCVEGCSA-N 2 0 329.897 2.482 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668324716 1355923132 /nfs/dbraw/zinc/92/31/32/1355923132.db2.gz CSYBCPVWSWZEQW-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669140209 1356105652 /nfs/dbraw/zinc/10/56/52/1356105652.db2.gz WULUNZSNSQIZHK-YPQKKHBXSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CC=C(Cl)Cl ZINC001669201114 1356123108 /nfs/dbraw/zinc/12/31/08/1356123108.db2.gz MFIHDTYUVHRUQP-AYIQIARFSA-N 2 0 334.291 2.440 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCOc1ccccc1 ZINC001669559687 1356175872 /nfs/dbraw/zinc/17/58/72/1356175872.db2.gz YWPNXAWEPDQWGX-FUHWJXTLSA-N 2 0 333.476 2.033 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670275739 1356310068 /nfs/dbraw/zinc/31/00/68/1356310068.db2.gz QDXMYHXOYXTOBE-AEFFLSMTSA-N 2 0 348.491 2.192 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001672839698 1356597369 /nfs/dbraw/zinc/59/73/69/1356597369.db2.gz PODNHPAAKNMNNS-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001673402834 1356686576 /nfs/dbraw/zinc/68/65/76/1356686576.db2.gz XYYJXCXXSZMIGN-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCCCF)CC2)C1 ZINC001673982442 1356767557 /nfs/dbraw/zinc/76/75/57/1356767557.db2.gz YCPQFMOHTRCJTG-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001674749471 1356889280 /nfs/dbraw/zinc/88/92/80/1356889280.db2.gz ZOSMUFVAQWVGJU-HZPDHXFCSA-N 2 0 341.540 2.406 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CC[C@H]2CCCO2)ccc2c[nH+]cn21 ZINC001698754407 1405043695 /nfs/dbraw/zinc/04/36/95/1405043695.db2.gz XUZPQXYZIMDSIT-RHSMWYFYSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC/C=C\c1ccccc1 ZINC001698771228 1405053121 /nfs/dbraw/zinc/05/31/21/1405053121.db2.gz DXFRIDVEIODQPV-ULXYLZTKSA-N 2 0 329.488 2.384 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)C1 ZINC001699015828 1405231464 /nfs/dbraw/zinc/23/14/64/1405231464.db2.gz DUJWWVCUWWCXOK-PKOBYXMFSA-N 2 0 344.503 2.236 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674232 790367317 /nfs/dbraw/zinc/36/73/17/790367317.db2.gz KTUQPCDUAYXNBK-RTBURBONSA-N 2 0 342.487 2.298 10 0 EEAERP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806414 777305128 /nfs/dbraw/zinc/30/51/28/777305128.db2.gz POVXAIIAGDIBEC-KGLIPLIRSA-N 2 0 345.553 2.123 10 0 EEAERP CCC[NH+]1CCC(NCc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925808002 777359061 /nfs/dbraw/zinc/35/90/61/777359061.db2.gz JFRKJJLDCYYKJA-UHFFFAOYSA-N 2 0 330.520 2.056 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cc2)(N2CCCCC2)CC1 ZINC000819111762 785430050 /nfs/dbraw/zinc/43/00/50/785430050.db2.gz UYACESKONWCWED-LJQANCHMSA-N 2 0 349.494 2.399 10 0 EEAERP C[C@@]1(NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[NH+]2CCC1CC2 ZINC000912377039 788149998 /nfs/dbraw/zinc/14/99/98/788149998.db2.gz CDTXEVXYJNQXQK-HXUWFJFHSA-N 2 0 327.472 2.497 10 0 EEAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000844159358 788905121 /nfs/dbraw/zinc/90/51/21/788905121.db2.gz AHNJYRLEQIADMK-QGZVFWFLSA-N 2 0 327.403 2.306 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCc2cccnc21 ZINC000923198389 789116838 /nfs/dbraw/zinc/11/68/38/789116838.db2.gz HXIGFXIUTLCQLT-RDJZCZTQSA-N 2 0 347.507 2.030 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000923346221 789423743 /nfs/dbraw/zinc/42/37/43/789423743.db2.gz WCQQVSDVNRIDCH-XUVXKRRUSA-N 2 0 332.488 2.464 10 0 EEAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1 ZINC000923398901 789497626 /nfs/dbraw/zinc/49/76/26/789497626.db2.gz OAQDMFDESQGPHV-ULQDDVLXSA-N 2 0 348.491 2.222 10 0 EEAERP CCOCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000923403480 789504946 /nfs/dbraw/zinc/50/49/46/789504946.db2.gz QUZLGPHHJSZQAC-HKUYNNGSSA-N 2 0 330.472 2.391 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NC1CCCCCCC1)CC2 ZINC000923459046 789578516 /nfs/dbraw/zinc/57/85/16/789578516.db2.gz YPJKCAGPXKUMDR-QGZVFWFLSA-N 2 0 337.508 2.045 10 0 EEAERP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923452711 789585426 /nfs/dbraw/zinc/58/54/26/789585426.db2.gz WCRMYQVQVWERKA-FUHWJXTLSA-N 2 0 345.487 2.460 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923500931 789685461 /nfs/dbraw/zinc/68/54/61/789685461.db2.gz SBOMFEMPERLZED-JYJNAYRXSA-N 2 0 346.475 2.257 10 0 EEAERP COC/C(C)=C\C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000929607618 793292846 /nfs/dbraw/zinc/29/28/46/793292846.db2.gz ZIZKJIWLCDFQBA-OCKHKDLRSA-N 2 0 331.504 2.329 10 0 EEAERP Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903439932 794431806 /nfs/dbraw/zinc/43/18/06/794431806.db2.gz QTJONKQHBUXKRA-KSZLIROESA-N 2 0 345.487 2.034 10 0 EEAERP O=C1NCCCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716672146 796405633 /nfs/dbraw/zinc/40/56/33/796405633.db2.gz ICXJRILMRJFACN-VJANTYMQSA-N 2 0 327.472 2.298 10 0 EEAERP O=C1NCCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716672145 796405897 /nfs/dbraw/zinc/40/58/97/796405897.db2.gz ICXJRILMRJFACN-RDGPPVDQSA-N 2 0 327.472 2.298 10 0 EEAERP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3c[nH]nc3c1)C2 ZINC000922385416 800940333 /nfs/dbraw/zinc/94/03/33/800940333.db2.gz BKKQJEXZTTWSFB-AKHDSKFASA-N 2 0 328.460 2.132 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566075595 1125548788 /nfs/dbraw/zinc/54/87/88/1125548788.db2.gz TXHDPALRZLCHLN-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001566508880 1125677956 /nfs/dbraw/zinc/67/79/56/1125677956.db2.gz SZFVPNAHUPAGGB-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001566516621 1125689328 /nfs/dbraw/zinc/68/93/28/1125689328.db2.gz RQRBVEMOKURCNS-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001436455709 1087902976 /nfs/dbraw/zinc/90/29/76/1087902976.db2.gz CFRMAKQEPUWHDD-XXGTVTCJSA-N 2 0 341.499 2.432 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccn(CC)n1 ZINC001436666312 1088100402 /nfs/dbraw/zinc/10/04/02/1088100402.db2.gz LSUOSPLZBFZAFR-AEFFLSMTSA-N 2 0 349.523 2.104 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC001436725631 1088192047 /nfs/dbraw/zinc/19/20/47/1088192047.db2.gz KGSCABYXNQCBGJ-RBUKOAKNSA-N 2 0 344.503 2.263 10 0 EEAERP CCc1cnc(CN2CCCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001437049140 1088936195 /nfs/dbraw/zinc/93/61/95/1088936195.db2.gz ZGJBWQWASBYDSJ-OAHLLOKOSA-N 2 0 336.480 2.048 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001437050344 1088939876 /nfs/dbraw/zinc/93/98/76/1088939876.db2.gz NUJDDUHEHXBCFT-KRWDZBQOSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001437142613 1089135783 /nfs/dbraw/zinc/13/57/83/1089135783.db2.gz DFPCHWCYJMEPPT-RDTXWAMCSA-N 2 0 348.466 2.222 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cn1 ZINC001437171921 1089197080 /nfs/dbraw/zinc/19/70/80/1089197080.db2.gz SAQKDGPWVPNHLV-HNNXBMFYSA-N 2 0 347.507 2.032 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCc1c(F)cccc1F ZINC001437185743 1089222653 /nfs/dbraw/zinc/22/26/53/1089222653.db2.gz IUTWEUBECPVLPV-GUYCJALGSA-N 2 0 339.430 2.086 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001437395566 1089650919 /nfs/dbraw/zinc/65/09/19/1089650919.db2.gz DYGKLLSDKXFPLE-IPYPFGDCSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001437406082 1089682133 /nfs/dbraw/zinc/68/21/33/1089682133.db2.gz XLDFIHCTAOELQQ-IRXDYDNUSA-N 2 0 331.504 2.228 10 0 EEAERP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437458911 1089773164 /nfs/dbraw/zinc/77/31/64/1089773164.db2.gz RIYPDSUVUNXPGE-LJQANCHMSA-N 2 0 329.488 2.193 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001437737678 1090297949 /nfs/dbraw/zinc/29/79/49/1090297949.db2.gz CUXQKCHKEXQZJO-QGZVFWFLSA-N 2 0 335.517 2.215 10 0 EEAERP Cc1ccc(C[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCC3)C2)cc1 ZINC001438134342 1090658475 /nfs/dbraw/zinc/65/84/75/1090658475.db2.gz QKNLQAVXVWBTOI-UHFFFAOYSA-N 2 0 329.488 2.417 10 0 EEAERP C[NH+](C)CCC(=O)NCC1C[NH+](C/C=C/c2ccc(Cl)cc2)C1 ZINC001438135309 1090659395 /nfs/dbraw/zinc/65/93/95/1090659395.db2.gz QRKKKISCOLDVTE-ONEGZZNKSA-N 2 0 335.879 2.353 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001438158840 1090672136 /nfs/dbraw/zinc/67/21/36/1090672136.db2.gz LTYXXVNPIXPSOI-QGZVFWFLSA-N 2 0 333.451 2.046 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)nc1C ZINC001438332857 1090807094 /nfs/dbraw/zinc/80/70/94/1090807094.db2.gz LSZUKMMCXYJZSI-KDOFPFPSSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1cnc(CNCc2ccc(CNC(=O)C[N@@H+](C)C(C)C)cc2)o1 ZINC001438445569 1090949764 /nfs/dbraw/zinc/94/97/64/1090949764.db2.gz FXVASYGSYSZPSU-UHFFFAOYSA-N 2 0 344.459 2.229 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CC2(CCC2)C1 ZINC001438489331 1090989495 /nfs/dbraw/zinc/98/94/95/1090989495.db2.gz KAEHYPMKUWLTNK-YJBOKZPZSA-N 2 0 333.520 2.250 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001438666164 1091155335 /nfs/dbraw/zinc/15/53/35/1091155335.db2.gz SFRPSGHJJAWEBU-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438680815 1091177033 /nfs/dbraw/zinc/17/70/33/1091177033.db2.gz IMVHFDZFXWYVOD-ZBFHGGJFSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(C)n1 ZINC001438788318 1091388037 /nfs/dbraw/zinc/38/80/37/1091388037.db2.gz FVQJTVXUFOWHGY-ROUUACIJSA-N 2 0 332.492 2.023 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445607950 1091401533 /nfs/dbraw/zinc/40/15/33/1091401533.db2.gz VIKXJDVLARLWDY-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001438887279 1091529403 /nfs/dbraw/zinc/52/94/03/1091529403.db2.gz BALAMMNWGJZYLE-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP Cc1cncc(CN(C)CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001438931790 1091612625 /nfs/dbraw/zinc/61/26/25/1091612625.db2.gz KHCRYDLREKJDDL-MOPGFXCFSA-N 2 0 346.519 2.401 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001438943787 1091631415 /nfs/dbraw/zinc/63/14/15/1091631415.db2.gz BIMZUGSTKNPNKO-WMZOPIPTSA-N 2 0 333.451 2.200 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)cc1F ZINC001445825047 1091711886 /nfs/dbraw/zinc/71/18/86/1091711886.db2.gz TXEQNLCOGCHEEA-HOCLYGCPSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cc(F)cc2F)[NH+](C)C ZINC001439128316 1091773073 /nfs/dbraw/zinc/77/30/73/1091773073.db2.gz GCOQHZDQAZDBPO-ZTFRIQLXSA-N 2 0 339.430 2.387 10 0 EEAERP CCc1ccccc1CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001439313631 1091982564 /nfs/dbraw/zinc/98/25/64/1091982564.db2.gz PLQZXHAXTJOFAF-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)C1CC[NH+](C)CC1 ZINC001439362016 1092081873 /nfs/dbraw/zinc/08/18/73/1092081873.db2.gz IFYMJZDYURVXJB-OAHLLOKOSA-N 2 0 342.487 2.446 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CCOC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001439632887 1092552758 /nfs/dbraw/zinc/55/27/58/1092552758.db2.gz CQPNRNOANVPXHA-FUHWJXTLSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1cccnc1C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439698155 1092651501 /nfs/dbraw/zinc/65/15/01/1092651501.db2.gz CUZPKGOIHFYAID-HXUWFJFHSA-N 2 0 344.503 2.156 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001439780281 1092736845 /nfs/dbraw/zinc/73/68/45/1092736845.db2.gz ZVOYOSDBRXVHSR-OLZOCXBDSA-N 2 0 346.302 2.370 10 0 EEAERP Cc1ccc(OCC[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001439874898 1092916289 /nfs/dbraw/zinc/91/62/89/1092916289.db2.gz SISLYAJNHFBSTO-FQEVSTJZSA-N 2 0 345.487 2.050 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001439882383 1092932230 /nfs/dbraw/zinc/93/22/30/1092932230.db2.gz AOSCYBCZFLWVHO-SCTDSRPQSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c(C)n1 ZINC001440132421 1093197620 /nfs/dbraw/zinc/19/76/20/1093197620.db2.gz JOWJGCNVVHSKFT-HNAYVOBHSA-N 2 0 346.519 2.224 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(F)(F)F ZINC001440183756 1093242028 /nfs/dbraw/zinc/24/20/28/1093242028.db2.gz CSUCNRBWEXFJDQ-KGLIPLIRSA-N 2 0 335.414 2.346 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185801 1093245195 /nfs/dbraw/zinc/24/51/95/1093245195.db2.gz FHMFRFHYHLZXQE-OALUTQOASA-N 2 0 344.503 2.297 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccccc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC001440220906 1093297831 /nfs/dbraw/zinc/29/78/31/1093297831.db2.gz VCIFLHAXMDTYTN-KRWDZBQOSA-N 2 0 347.503 2.113 10 0 EEAERP CCc1cccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001440246553 1093338256 /nfs/dbraw/zinc/33/82/56/1093338256.db2.gz CTCUCBWJUVTWER-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)cs1 ZINC001448424630 1093435574 /nfs/dbraw/zinc/43/55/74/1093435574.db2.gz BAXOLULAKTZIND-NNZMDNLPSA-N 2 0 347.528 2.335 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001440351275 1093503771 /nfs/dbraw/zinc/50/37/71/1093503771.db2.gz FRHGRPIMXJYSJB-QGZVFWFLSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001440355724 1093511050 /nfs/dbraw/zinc/51/10/50/1093511050.db2.gz LNXQVIMCMPOWRL-JFIYKMOQSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1)c1ccccc1F ZINC001440362286 1093525173 /nfs/dbraw/zinc/52/51/73/1093525173.db2.gz MJHSXXZRCDVAFK-BZUAXINKSA-N 2 0 333.451 2.467 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001440399397 1093582543 /nfs/dbraw/zinc/58/25/43/1093582543.db2.gz YDGWGKVYOZTYQF-DLBZAZTESA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ocnc1C)C1CC1 ZINC001448591808 1093651201 /nfs/dbraw/zinc/65/12/01/1093651201.db2.gz ZXYDDUIGHQUJRA-IAGOWNOFSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001440446254 1093656023 /nfs/dbraw/zinc/65/60/23/1093656023.db2.gz JUQNBGPAGRHIHI-UHOSZYNNSA-N 2 0 329.488 2.480 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CCC2(C[NH+](CC(C)C)C2)O1)[NH+](CC)CC ZINC001440499670 1093739369 /nfs/dbraw/zinc/73/93/69/1093739369.db2.gz JDAWIUFIENKZHW-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)CCCN1CC2(C1)C[C@H](NC(=O)C[C@H](C)n1ccnc1)CO2 ZINC001440510837 1093756655 /nfs/dbraw/zinc/75/66/55/1093756655.db2.gz NWJBLQDFMMWFIS-IRXDYDNUSA-N 2 0 348.491 2.230 10 0 EEAERP CCC1([NH2+]Cc2conc2C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440529671 1093786865 /nfs/dbraw/zinc/78/68/65/1093786865.db2.gz KJQZHNVNFKDRSQ-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CCC1([NH2+]Cc2cncs2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001440539456 1093806541 /nfs/dbraw/zinc/80/65/41/1093806541.db2.gz QBYCPPYLQWOUDF-UHFFFAOYSA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(F)cccc2F)[C@H]1C ZINC001448982303 1093985675 /nfs/dbraw/zinc/98/56/75/1093985675.db2.gz XZTZFVPVZIKMED-DYVFJYSZSA-N 2 0 339.430 2.384 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)ccc1C ZINC001448987356 1093990089 /nfs/dbraw/zinc/99/00/89/1093990089.db2.gz RQGJNLMAXUEQHH-DOTOQJQBSA-N 2 0 333.476 2.034 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)sc1C ZINC001449326597 1094278607 /nfs/dbraw/zinc/27/86/07/1094278607.db2.gz XEVCERXYIRANEK-CQSZACIVSA-N 2 0 340.537 2.332 10 0 EEAERP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001449359040 1094321975 /nfs/dbraw/zinc/32/19/75/1094321975.db2.gz ZLUOMWLCTFCEGV-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncccc1C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001441108638 1094421076 /nfs/dbraw/zinc/42/10/76/1094421076.db2.gz ONLUVSYQSSUAFI-SFHVURJKSA-N 2 0 344.503 2.393 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC001441172011 1094526200 /nfs/dbraw/zinc/52/62/00/1094526200.db2.gz GIHDQSIPMLYQQZ-KGLIPLIRSA-N 2 0 341.908 2.480 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]([NH2+]Cc1cncs1)C1CC1 ZINC001441298577 1094742266 /nfs/dbraw/zinc/74/22/66/1094742266.db2.gz LVQNLKIFIZQNRO-MRXNPFEDSA-N 2 0 336.505 2.004 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001441380731 1094919929 /nfs/dbraw/zinc/91/99/29/1094919929.db2.gz RRKTWTHDSQPVFH-SAABIXHNSA-N 2 0 342.487 2.494 10 0 EEAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C2CC2)no1 ZINC001441433990 1095038713 /nfs/dbraw/zinc/03/87/13/1095038713.db2.gz BRHPJEJFQKICFY-MQVJKMGUSA-N 2 0 346.475 2.115 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC001441482615 1095156137 /nfs/dbraw/zinc/15/61/37/1095156137.db2.gz TXFOMNSFXUEUSA-OALUTQOASA-N 2 0 344.503 2.236 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001441544279 1095265881 /nfs/dbraw/zinc/26/58/81/1095265881.db2.gz HKLYCRBQRYVNNQ-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cncc(C)c2)C1)[NH+](C)C ZINC001441550052 1095277679 /nfs/dbraw/zinc/27/76/79/1095277679.db2.gz ACCDTEBCWRHQDM-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001441551310 1095280945 /nfs/dbraw/zinc/28/09/45/1095280945.db2.gz XXORIWPAIVHMDC-YOEHRIQHSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC[C@H](C)F ZINC001441565996 1095324441 /nfs/dbraw/zinc/32/44/41/1095324441.db2.gz MDWRCICXELLFLL-UONOGXRCSA-N 2 0 333.411 2.066 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001441585883 1095404832 /nfs/dbraw/zinc/40/48/32/1095404832.db2.gz LRQVNNMTYBFRDJ-HOCLYGCPSA-N 2 0 336.480 2.182 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC001441587727 1095410266 /nfs/dbraw/zinc/41/02/66/1095410266.db2.gz QTSJJCGTQXMZTI-IEBWSBKVSA-N 2 0 347.503 2.154 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001441848230 1095930625 /nfs/dbraw/zinc/93/06/25/1095930625.db2.gz XPTYTEPPJAOSCY-LPHOPBHVSA-N 2 0 344.503 2.391 10 0 EEAERP CN(C)c1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001442217842 1096511361 /nfs/dbraw/zinc/51/13/61/1096511361.db2.gz RIQAYIOLIULMDE-SFHVURJKSA-N 2 0 346.519 2.127 10 0 EEAERP C[N@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)Cc1ccsc1 ZINC001442564869 1096929068 /nfs/dbraw/zinc/92/90/68/1096929068.db2.gz KNLXZZPNFZKITJ-UHFFFAOYSA-N 2 0 335.517 2.418 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001442809460 1097193227 /nfs/dbraw/zinc/19/32/27/1097193227.db2.gz CRDFBIKVKABUPJ-WMZOPIPTSA-N 2 0 345.487 2.118 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001442909384 1097315439 /nfs/dbraw/zinc/31/54/39/1097315439.db2.gz UOJAKCTUJZPZFU-JKSUJKDBSA-N 2 0 333.451 2.106 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1(C)C ZINC001452126587 1098235705 /nfs/dbraw/zinc/23/57/05/1098235705.db2.gz HFHHTYBLDPFDMM-XDNAFOTISA-N 2 0 329.488 2.177 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC001443851329 1098370672 /nfs/dbraw/zinc/37/06/72/1098370672.db2.gz DXVCKYQYUZGTCN-HNNXBMFYSA-N 2 0 338.521 2.134 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444050009 1098575519 /nfs/dbraw/zinc/57/55/19/1098575519.db2.gz YSEDXQDOUFQBML-SJORKVTESA-N 2 0 328.460 2.104 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC001444086568 1098617015 /nfs/dbraw/zinc/61/70/15/1098617015.db2.gz GLWZYPSNHGYDSE-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001479695104 1098763898 /nfs/dbraw/zinc/76/38/98/1098763898.db2.gz ICNWGCOKIHNJNC-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC001479776260 1098956115 /nfs/dbraw/zinc/95/61/15/1098956115.db2.gz RCJSIJJRBQEMFG-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001479869129 1099205809 /nfs/dbraw/zinc/20/58/09/1099205809.db2.gz SINUFNIJRROVCN-LJQANCHMSA-N 2 0 333.520 2.489 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCc1cccs1)CC2 ZINC001479984564 1099441217 /nfs/dbraw/zinc/44/12/17/1099441217.db2.gz DTBBRWHJEXGNKW-MRXNPFEDSA-N 2 0 335.517 2.213 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cc(C2CC2)no1)C1CC1 ZINC001480027093 1099512316 /nfs/dbraw/zinc/51/23/16/1099512316.db2.gz DGACIFJLDNKHFG-QZTJIDSGSA-N 2 0 346.475 2.021 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444759523 1099645976 /nfs/dbraw/zinc/64/59/76/1099645976.db2.gz NLLWYYYPJXQISC-IEBWSBKVSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001444828617 1099775636 /nfs/dbraw/zinc/77/56/36/1099775636.db2.gz PKIYWQZOEUAMPJ-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1)[NH+](C)C ZINC001480231117 1099855144 /nfs/dbraw/zinc/85/51/44/1099855144.db2.gz DKTTYPNIERPGPJ-IJEWVQPXSA-N 2 0 325.403 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480301834 1100019711 /nfs/dbraw/zinc/01/97/11/1100019711.db2.gz ZYNWHJFSAPFCMF-WOJBJXKFSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001444928880 1100026706 /nfs/dbraw/zinc/02/67/06/1100026706.db2.gz JLIWKBMACHLBNY-WOJBJXKFSA-N 2 0 343.515 2.357 10 0 EEAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001480331207 1100087604 /nfs/dbraw/zinc/08/76/04/1100087604.db2.gz KVUBYSWCLXFVMB-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001480346377 1100114592 /nfs/dbraw/zinc/11/45/92/1100114592.db2.gz RUTRXSQXVIYMBL-GJZGRUSLSA-N 2 0 347.425 2.251 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001480358974 1100130938 /nfs/dbraw/zinc/13/09/38/1100130938.db2.gz HGBWZLGOSYORFP-SFHVURJKSA-N 2 0 347.503 2.160 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)oc1C ZINC001445114841 1100357851 /nfs/dbraw/zinc/35/78/51/1100357851.db2.gz ORDWIQYAHPGCJI-JKSUJKDBSA-N 2 0 336.480 2.006 10 0 EEAERP CCCOc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001480590161 1100439567 /nfs/dbraw/zinc/43/95/67/1100439567.db2.gz HRMWTLWDDMHPPA-RDJZCZTQSA-N 2 0 333.476 2.021 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccns1)C1CCCCC1 ZINC001496321767 1100916075 /nfs/dbraw/zinc/91/60/75/1100916075.db2.gz XGMNJIVCCGVNQY-INIZCTEOSA-N 2 0 338.521 2.250 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)[C@H](C)C1 ZINC001496376234 1100968743 /nfs/dbraw/zinc/96/87/43/1100968743.db2.gz PNOVHMLOAYQUBC-ZBFHGGJFSA-N 2 0 348.491 2.219 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446547628 1101013757 /nfs/dbraw/zinc/01/37/57/1101013757.db2.gz HSIHGLDSGAPFTM-AZUAARDMSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001446577207 1101063795 /nfs/dbraw/zinc/06/37/95/1101063795.db2.gz DPJGTDXVOLQOJW-LPHOPBHVSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001446577212 1101064580 /nfs/dbraw/zinc/06/45/80/1101064580.db2.gz DPJGTDXVOLQOJW-QFBILLFUSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001495385821 1101105840 /nfs/dbraw/zinc/10/58/40/1101105840.db2.gz IAGAEDTWAQHMMK-QZTJIDSGSA-N 2 0 344.503 2.142 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001495466816 1101177860 /nfs/dbraw/zinc/17/78/60/1101177860.db2.gz MODJQHNGTGQQHN-QAQDUYKDSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446945749 1101636262 /nfs/dbraw/zinc/63/62/62/1101636262.db2.gz UUBWHESFLPUMQF-OXJNMPFZSA-N 2 0 343.515 2.454 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001446970902 1101681529 /nfs/dbraw/zinc/68/15/29/1101681529.db2.gz KGLSSBGXBGESSR-HOCLYGCPSA-N 2 0 337.895 2.476 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)sn1 ZINC001496925554 1101728782 /nfs/dbraw/zinc/72/87/82/1101728782.db2.gz UPXZFDXXEAUNLS-GOEBONIOSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001496062578 1101998238 /nfs/dbraw/zinc/99/82/38/1101998238.db2.gz BVMVJBCGXOQDQB-QANKJYHBSA-N 2 0 348.491 2.219 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497207524 1102128387 /nfs/dbraw/zinc/12/83/87/1102128387.db2.gz JLUUNCCPIZXPOD-ZFWWWQNUSA-N 2 0 331.451 2.391 10 0 EEAERP COc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001497270369 1102226750 /nfs/dbraw/zinc/22/67/50/1102226750.db2.gz BNBHJVDWXWLFHU-DOTOQJQBSA-N 2 0 347.503 2.330 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncc(C)c1 ZINC001497329892 1102335386 /nfs/dbraw/zinc/33/53/86/1102335386.db2.gz FIKIWXSTCSUUPT-WMZOPIPTSA-N 2 0 332.492 2.249 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3ccccn3)CCC2)C1 ZINC001447270951 1102352180 /nfs/dbraw/zinc/35/21/80/1102352180.db2.gz WSBUJKOZMSHPKN-FUHWJXTLSA-N 2 0 344.503 2.331 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCC2CCOCC2)CC1 ZINC001447305338 1102414039 /nfs/dbraw/zinc/41/40/39/1102414039.db2.gz ZHBHEZCTGFUVSL-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cncc(F)c3)CC2)CCC1 ZINC001447308194 1102419547 /nfs/dbraw/zinc/41/95/47/1102419547.db2.gz OTFYGAIGIBLXKD-QGZVFWFLSA-N 2 0 348.466 2.176 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)CC1CC[NH+](C)CC1 ZINC001497464492 1102531793 /nfs/dbraw/zinc/53/17/93/1102531793.db2.gz OLTBHNAPMAAEOE-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCC1([NH2+]C[C@@H](O)c2ccccc2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447431353 1102641515 /nfs/dbraw/zinc/64/15/15/1102641515.db2.gz WDAGCADJPBQWAF-GOSISDBHSA-N 2 0 347.503 2.033 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001447440929 1102659592 /nfs/dbraw/zinc/65/95/92/1102659592.db2.gz PMGKGCXTYLPTLY-SJLPKXTDSA-N 2 0 345.478 2.340 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C)cc1F ZINC001497612368 1102749243 /nfs/dbraw/zinc/74/92/43/1102749243.db2.gz AIPJQSGQSWNWES-PYTPGESOSA-N 2 0 333.451 2.380 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2cnc(C)s2)CC1 ZINC001447567811 1102878286 /nfs/dbraw/zinc/87/82/86/1102878286.db2.gz XNRVCAAAGWMWCA-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCCCOC)C1 ZINC001493952113 1103182726 /nfs/dbraw/zinc/18/27/26/1103182726.db2.gz QAIGIEODDHXBCJ-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP CCCC[NH+]1CCC(CO)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001447741353 1103212221 /nfs/dbraw/zinc/21/22/21/1103212221.db2.gz ZAHLMBXJOPKBKW-UHFFFAOYSA-N 2 0 347.503 2.105 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001497927466 1103350114 /nfs/dbraw/zinc/35/01/14/1103350114.db2.gz VNDVHHLKTUOOPA-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001494017608 1103351298 /nfs/dbraw/zinc/35/12/98/1103351298.db2.gz HULJDZOAULGDLU-DUIXZTDISA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001494078172 1103484548 /nfs/dbraw/zinc/48/45/48/1103484548.db2.gz GSBLPJYHFLZONT-DOTOQJQBSA-N 2 0 335.517 2.336 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001494078121 1103485515 /nfs/dbraw/zinc/48/55/15/1103485515.db2.gz FRHQLMOWQGLBDI-RDJZCZTQSA-N 2 0 333.451 2.106 10 0 EEAERP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494144196 1103594626 /nfs/dbraw/zinc/59/46/26/1103594626.db2.gz DDEPKBNFHWMUTL-GOSISDBHSA-N 2 0 333.520 2.443 10 0 EEAERP CC[C@@H](C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001494150909 1103609732 /nfs/dbraw/zinc/60/97/32/1103609732.db2.gz WQXAXWBCEGCTHZ-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001494178634 1103651781 /nfs/dbraw/zinc/65/17/81/1103651781.db2.gz MDGOJHWCQQCMCA-SFHVURJKSA-N 2 0 347.503 2.316 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCc1ccccc1 ZINC001448012541 1103795122 /nfs/dbraw/zinc/79/51/22/1103795122.db2.gz CVMRABVOUUINOM-ZHALLVOQSA-N 2 0 331.504 2.396 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001494320359 1103892088 /nfs/dbraw/zinc/89/20/88/1103892088.db2.gz XASRZGUVJKWTRO-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3ccns3)CCCCC2)C1 ZINC001448236616 1104225512 /nfs/dbraw/zinc/22/55/12/1104225512.db2.gz ORQIMZIGAUQXRB-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1ncccc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448279409 1104309449 /nfs/dbraw/zinc/30/94/49/1104309449.db2.gz WCXNCWQDNDTKNK-FGTMMUONSA-N 2 0 346.519 2.495 10 0 EEAERP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCCCOC)C1 ZINC001494912223 1104548367 /nfs/dbraw/zinc/54/83/67/1104548367.db2.gz ZZUFJDUORWEDHE-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cnc(C)cn1 ZINC001495069495 1104709217 /nfs/dbraw/zinc/70/92/17/1104709217.db2.gz YOPDUVOWHSKUHR-FUHWJXTLSA-N 2 0 347.507 2.032 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001497994233 1106753335 /nfs/dbraw/zinc/75/33/35/1106753335.db2.gz YFPUVPFSHGBIKO-CJNGLKHVSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480619912 1106779412 /nfs/dbraw/zinc/77/94/12/1106779412.db2.gz UHILRYCZBKOGTP-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498106409 1106927832 /nfs/dbraw/zinc/92/78/32/1106927832.db2.gz VGYGLNOVSOZJAK-ZDUSSCGKSA-N 2 0 336.480 2.043 10 0 EEAERP CCc1cnc(C[N@@H+]2CCC[C@H]2CCCNC(=O)[C@H]2CCC[NH+]2C)o1 ZINC001480827829 1107209433 /nfs/dbraw/zinc/20/94/33/1107209433.db2.gz XHJNZGYMRGLGAT-NVXWUHKLSA-N 2 0 348.491 2.192 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498550974 1107706261 /nfs/dbraw/zinc/70/62/61/1107706261.db2.gz DBSIEOSOBHSPTL-UHFFFAOYSA-N 2 0 332.492 2.284 10 0 EEAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC001498633375 1107850917 /nfs/dbraw/zinc/85/09/17/1107850917.db2.gz OBMUJLCXYQMHQQ-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001498780494 1108087729 /nfs/dbraw/zinc/08/77/29/1108087729.db2.gz CKKPSOBIWZWLOY-QZTJIDSGSA-N 2 0 333.451 2.294 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)c(C)n1 ZINC001498781572 1108091071 /nfs/dbraw/zinc/09/10/71/1108091071.db2.gz NYHDPMPAKAOOTA-RBUKOAKNSA-N 2 0 344.503 2.167 10 0 EEAERP C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)n1ccnc1 ZINC001455507829 1108644198 /nfs/dbraw/zinc/64/41/98/1108644198.db2.gz FEIVKAUHIYEEGS-HQRMLTQVSA-N 2 0 338.455 2.425 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC001468885176 1110481636 /nfs/dbraw/zinc/48/16/36/1110481636.db2.gz FFTNJCICFUXZGG-ZDUSSCGKSA-N 2 0 325.428 2.292 10 0 EEAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[Si](C)(C)c1ccccc1 ZINC001473703081 1110578992 /nfs/dbraw/zinc/57/89/92/1110578992.db2.gz VVGWRHRYLGSVMS-UHFFFAOYSA-N 2 0 334.580 2.431 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)[C@@H]2C1 ZINC001478520133 1110655261 /nfs/dbraw/zinc/65/52/61/1110655261.db2.gz OXFWPNSUGOJAKF-QZTJIDSGSA-N 2 0 348.535 2.378 10 0 EEAERP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001478657134 1110656275 /nfs/dbraw/zinc/65/62/75/1110656275.db2.gz FGVAQZVOHJRQRI-GOSISDBHSA-N 2 0 344.503 2.435 10 0 EEAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479294864 1110677263 /nfs/dbraw/zinc/67/72/63/1110677263.db2.gz JUZFSKYVIPCWHH-DKKFBQAASA-N 2 0 335.536 2.495 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001479301403 1110677938 /nfs/dbraw/zinc/67/79/38/1110677938.db2.gz JRZLMXKCIAFTEG-QGTPRVQTSA-N 2 0 348.466 2.080 10 0 EEAERP COCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001499480218 1112310913 /nfs/dbraw/zinc/31/09/13/1112310913.db2.gz DYNBVAHHTJFXRZ-ZWKOTPCHSA-N 2 0 348.491 2.013 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC001499539030 1112354256 /nfs/dbraw/zinc/35/42/56/1112354256.db2.gz XNKTVDJSLKXLID-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP COCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499575951 1112381209 /nfs/dbraw/zinc/38/12/09/1112381209.db2.gz DKLCMGPMCBCSET-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001499987009 1112566989 /nfs/dbraw/zinc/56/69/89/1112566989.db2.gz VURCKJWLHIOIOW-HUUCEWRRSA-N 2 0 333.467 2.385 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001499990055 1112567657 /nfs/dbraw/zinc/56/76/57/1112567657.db2.gz QEINGZJODGJNNK-UHFFFAOYSA-N 2 0 344.459 2.264 10 0 EEAERP CC(C)CCOCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001500007681 1112577117 /nfs/dbraw/zinc/57/71/17/1112577117.db2.gz YBWGIYSUBPHZPR-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001500111929 1112622468 /nfs/dbraw/zinc/62/24/68/1112622468.db2.gz RNKZUQDIJAVCNB-KDOFPFPSSA-N 2 0 348.491 2.089 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+]([C@H](C)COC)C2)C1 ZINC001500160759 1112647568 /nfs/dbraw/zinc/64/75/68/1112647568.db2.gz CZLPAGYCRSIQOG-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001500401896 1112804840 /nfs/dbraw/zinc/80/48/40/1112804840.db2.gz KKAXFWJPABDMQD-LPHOPBHVSA-N 2 0 333.451 2.106 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(C)CCC[NH+](Cc3cccnc3)C2)C1 ZINC001500546769 1112936949 /nfs/dbraw/zinc/93/69/49/1112936949.db2.gz HEPVNTTXKCRMNG-FXAWDEMLSA-N 2 0 344.503 2.142 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501396017 1113341154 /nfs/dbraw/zinc/34/11/54/1113341154.db2.gz SBANTQYVAZPOQF-ROUUACIJSA-N 2 0 348.491 2.144 10 0 EEAERP CC(C)[C@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CCO)cc1)[NH+]1CCCC1 ZINC001501681813 1113432816 /nfs/dbraw/zinc/43/28/16/1113432816.db2.gz RCJHAAYFTZQQSB-VQIMIIECSA-N 2 0 347.503 2.066 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOC(C)C)CC1 ZINC001502811335 1113808590 /nfs/dbraw/zinc/80/85/90/1113808590.db2.gz SHVLUCZBEJPRGR-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001502923080 1113856899 /nfs/dbraw/zinc/85/68/99/1113856899.db2.gz MXNPCOZIZUFEAN-IRXDYDNUSA-N 2 0 349.523 2.218 10 0 EEAERP Cc1cnc(C[NH2+]CC2CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)s1 ZINC001505516637 1114032257 /nfs/dbraw/zinc/03/22/57/1114032257.db2.gz DXPQTISDDOPUHZ-ZBCRRDGASA-N 2 0 338.521 2.022 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001505535853 1114038551 /nfs/dbraw/zinc/03/85/51/1114038551.db2.gz BSGVDRITPZLVSL-HWOWSKLDSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505667131 1114119091 /nfs/dbraw/zinc/11/90/91/1114119091.db2.gz IXSLPDUHWOOEDW-CHWSQXEVSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCOCc1ccccc1 ZINC001505685025 1114130025 /nfs/dbraw/zinc/13/00/25/1114130025.db2.gz DIVXGXZGVOCGEL-DLBZAZTESA-N 2 0 347.503 2.028 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505731741 1114156512 /nfs/dbraw/zinc/15/65/12/1114156512.db2.gz DRJZYBCSKXDXHO-LSDHHAIUSA-N 2 0 333.451 2.213 10 0 EEAERP COC[C@H](C)[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001505783483 1114190030 /nfs/dbraw/zinc/19/00/30/1114190030.db2.gz IEGUUOKRQLFYIJ-GTPINHCMSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001505819953 1114213184 /nfs/dbraw/zinc/21/31/84/1114213184.db2.gz DZMROHXYIDSALZ-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1C ZINC001505931082 1114285319 /nfs/dbraw/zinc/28/53/19/1114285319.db2.gz UAYLFTMFUGZQBX-CRAIPNDOSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC001506528931 1114677087 /nfs/dbraw/zinc/67/70/87/1114677087.db2.gz FLULYQLAEZEXSV-UHFFFAOYSA-N 2 0 338.521 2.392 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506546872 1114689329 /nfs/dbraw/zinc/68/93/29/1114689329.db2.gz ZQALEANLYKQBRL-KBAYOESNSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001506856302 1114920947 /nfs/dbraw/zinc/92/09/47/1114920947.db2.gz QCMLLEKVUVBHDU-IEBWSBKVSA-N 2 0 347.503 2.041 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001507074475 1115094201 /nfs/dbraw/zinc/09/42/01/1115094201.db2.gz UQDSCLKJJJWEQW-APWZRJJASA-N 2 0 329.488 2.273 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccccn2)C1 ZINC001507111703 1115114383 /nfs/dbraw/zinc/11/43/83/1115114383.db2.gz DYLLGKJZUIAQCT-DLBZAZTESA-N 2 0 332.492 2.140 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)CC[NH+](C)C ZINC001507321510 1115191500 /nfs/dbraw/zinc/19/15/00/1115191500.db2.gz PPXNRKXBBYFRFS-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cncc(F)c3)C2)CCC1 ZINC001507398319 1115250740 /nfs/dbraw/zinc/25/07/40/1115250740.db2.gz JAFKRQQFYYUDBT-WMLDXEAASA-N 2 0 348.466 2.080 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001507401868 1115252068 /nfs/dbraw/zinc/25/20/68/1115252068.db2.gz PZLPKLFEPCOVEJ-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)CC1 ZINC001507443584 1115272257 /nfs/dbraw/zinc/27/22/57/1115272257.db2.gz QAIZLZIXIOUGOI-CYBMUJFWSA-N 2 0 335.414 2.107 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC)C(C)(C)C1)c1ccccc1 ZINC001507449654 1115275940 /nfs/dbraw/zinc/27/59/40/1115275940.db2.gz IQZQUVZFSHNONE-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]C/C=C\Cl ZINC001507453521 1115278867 /nfs/dbraw/zinc/27/88/67/1115278867.db2.gz JRNOLHGJONIQIB-DDJMYBDESA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[NH+]1CCCC1 ZINC001509019695 1115715428 /nfs/dbraw/zinc/71/54/28/1115715428.db2.gz HFWIZPKKCQBJMP-KRWDZBQOSA-N 2 0 346.523 2.172 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CCc2ccccc2F)C2CC2)C1 ZINC001568032493 1124240478 /nfs/dbraw/zinc/24/04/78/1124240478.db2.gz RKHVMDYECCUWNW-OXQOHEQNSA-N 2 0 347.478 2.194 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001568087653 1124291403 /nfs/dbraw/zinc/29/14/03/1124291403.db2.gz IUNHWQGQNHIOEI-BZUAXINKSA-N 2 0 336.455 2.480 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC001568093962 1124297530 /nfs/dbraw/zinc/29/75/30/1124297530.db2.gz LMUCSJMMJIOHKC-OAHLLOKOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001568176236 1124340682 /nfs/dbraw/zinc/34/06/82/1124340682.db2.gz RKEWTRMDDSUJRW-QGZVFWFLSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCCC1 ZINC001568234864 1124377248 /nfs/dbraw/zinc/37/72/48/1124377248.db2.gz GOTLKJDKMRYPAZ-SJORKVTESA-N 2 0 339.524 2.039 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568274208 1124398646 /nfs/dbraw/zinc/39/86/46/1124398646.db2.gz TUNPINSKLDCJSE-MAUKXSAKSA-N 2 0 347.478 2.147 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCCF)C2CCCCC2)CCC1 ZINC001568343711 1124428529 /nfs/dbraw/zinc/42/85/29/1124428529.db2.gz OKLCKGZTTBBZSO-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001568386097 1124455957 /nfs/dbraw/zinc/45/59/57/1124455957.db2.gz VCSMPFVRSSEUGZ-BPQIPLTHSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001568392693 1124462711 /nfs/dbraw/zinc/46/27/11/1124462711.db2.gz UVOROASXSFPJSB-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1 ZINC001568684864 1124696942 /nfs/dbraw/zinc/69/69/42/1124696942.db2.gz LTLRFBCYNNIVID-HOCLYGCPSA-N 2 0 338.521 2.390 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(F)c1F)C(=O)C[N@H+](C)C1CCC1 ZINC001568749263 1124763161 /nfs/dbraw/zinc/76/31/61/1124763161.db2.gz XUWOPXPOCWCVAH-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001568930884 1124962244 /nfs/dbraw/zinc/96/22/44/1124962244.db2.gz PZFGLKADBGXZQH-PLNGDYQASA-N 2 0 344.503 2.192 10 0 EEAERP COc1cc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001568949430 1124983408 /nfs/dbraw/zinc/98/34/08/1124983408.db2.gz CIZJLALKPVRWNZ-WRFKIARRSA-N 2 0 345.487 2.107 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001569314839 1125225257 /nfs/dbraw/zinc/22/52/57/1125225257.db2.gz NVYBTSPGSGTMSG-ZWKOTPCHSA-N 2 0 349.906 2.461 10 0 EEAERP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000251541319 282120936 /nfs/dbraw/zinc/12/09/36/282120936.db2.gz GHCLJXMWRAVRBP-RYQLBKOJSA-N 2 0 330.476 2.025 10 0 EEAERP C[NH2+][C@@H](CCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000054015717 214210382 /nfs/dbraw/zinc/21/03/82/214210382.db2.gz WMHZXSVPVNYRDS-HNNXBMFYSA-N 2 0 326.282 2.347 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCNc1cccc(Br)c1 ZINC000422969076 536594422 /nfs/dbraw/zinc/59/44/22/536594422.db2.gz YPBXOMATMCRLTI-CQSZACIVSA-N 2 0 330.270 2.205 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080097933 539346302 /nfs/dbraw/zinc/34/63/02/539346302.db2.gz BVYLQWXRILJGET-BHIYHBOVSA-N 2 0 344.503 2.433 10 0 EEAERP CC[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C[C@H](C)O ZINC000248555757 539680732 /nfs/dbraw/zinc/68/07/32/539680732.db2.gz ICKCQIWOBAZYQX-LPHOPBHVSA-N 2 0 337.483 2.035 10 0 EEAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCCN1CC[NH2+]CC1)CCC2 ZINC000423190546 282932247 /nfs/dbraw/zinc/93/22/47/282932247.db2.gz SPMOUFJHTOTKPT-OAHLLOKOSA-N 2 0 342.409 2.363 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423072229 240350879 /nfs/dbraw/zinc/35/08/79/240350879.db2.gz PLTRYKUEKVVYJH-MJBXVCDLSA-N 2 0 337.489 2.373 10 0 EEAERP c1csc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)c1 ZINC000422827807 240247582 /nfs/dbraw/zinc/24/75/82/240247582.db2.gz NLJFEJFTOWBTNH-RBUKOAKNSA-N 2 0 349.544 2.317 10 0 EEAERP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422782933 240222416 /nfs/dbraw/zinc/22/24/16/240222416.db2.gz GVXFCEZDPUGXCQ-OALUTQOASA-N 2 0 345.487 2.056 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422866909 240265018 /nfs/dbraw/zinc/26/50/18/240265018.db2.gz RBWSQJDCZQGVTB-PMACEKPBSA-N 2 0 331.504 2.383 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422866911 240266552 /nfs/dbraw/zinc/26/65/52/240266552.db2.gz RBWSQJDCZQGVTB-VQTJNVASSA-N 2 0 331.504 2.383 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000422909105 240286758 /nfs/dbraw/zinc/28/67/58/240286758.db2.gz ZXHNQEYCAYDIAF-NHCUHLMSSA-N 2 0 343.515 2.255 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000422911518 240287623 /nfs/dbraw/zinc/28/76/23/240287623.db2.gz TYAXATHPZKYAES-CABCVRRESA-N 2 0 341.883 2.271 10 0 EEAERP COC[C@H](CCC[NH3+])Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422981517 240316552 /nfs/dbraw/zinc/31/65/52/240316552.db2.gz OOIWIYOBJVGBMR-IBGZPJMESA-N 2 0 335.492 2.057 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415954964 284336393 /nfs/dbraw/zinc/33/63/93/284336393.db2.gz LJUZBUCWUKTRDB-ZIAGYGMSSA-N 2 0 332.423 2.220 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CN(C)C[C@H]2CCC[NH2+]C2)[C@@H]1c1cnn(C)c1 ZINC000262002257 285228710 /nfs/dbraw/zinc/22/87/10/285228710.db2.gz UFAGICKYZMGMSX-JENIJYKNSA-N 2 0 333.524 2.125 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000339493416 152554717 /nfs/dbraw/zinc/55/47/17/152554717.db2.gz NQFJJUGOICDXNH-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP O=C(NCc1cnc2n1CCCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000377280293 154123486 /nfs/dbraw/zinc/12/34/86/154123486.db2.gz JZXDMHPNCQSFPU-MRXNPFEDSA-N 2 0 345.491 2.379 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000262136157 160441679 /nfs/dbraw/zinc/44/16/79/160441679.db2.gz YQBPXEAVDGKTCV-LJQANCHMSA-N 2 0 330.520 2.402 10 0 EEAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000104505188 159287138 /nfs/dbraw/zinc/28/71/38/159287138.db2.gz PTNPFSKURLVWFC-QZTJIDSGSA-N 2 0 347.478 2.448 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105179843 159298470 /nfs/dbraw/zinc/29/84/70/159298470.db2.gz FQDBJYQQTPRMBG-IAGOWNOFSA-N 2 0 336.524 2.377 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)OCCO)CC1 ZINC000342305234 161054820 /nfs/dbraw/zinc/05/48/20/161054820.db2.gz HJENRLYRKSNQRI-UHFFFAOYSA-N 2 0 349.519 2.096 10 0 EEAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000343191514 161111588 /nfs/dbraw/zinc/11/15/88/161111588.db2.gz HAESICFTFDJCGV-WOCWXWTJSA-N 2 0 331.504 2.336 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CO)CCC2)CC1 ZINC000344348199 161219333 /nfs/dbraw/zinc/21/93/33/161219333.db2.gz IFPBNOVKYQERNX-UHFFFAOYSA-N 2 0 331.504 2.471 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000364734896 165252593 /nfs/dbraw/zinc/25/25/93/165252593.db2.gz ABHJZFHFTDMZBH-GOSISDBHSA-N 2 0 327.472 2.205 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375852349 167212755 /nfs/dbraw/zinc/21/27/55/167212755.db2.gz NPLRZKDMLFUKAK-IBGZPJMESA-N 2 0 339.487 2.324 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000271571162 274142150 /nfs/dbraw/zinc/14/21/50/274142150.db2.gz ZCOOQQQINXYECT-AHRSYUTCSA-N 2 0 332.488 2.274 10 0 EEAERP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CCCCC2)CCO1 ZINC000262667318 278327789 /nfs/dbraw/zinc/32/77/89/278327789.db2.gz KXHLSBWYUZFWET-CVEARBPZSA-N 2 0 337.508 2.044 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)[NH2+]C)c(C)c2)CC1 ZINC000270460038 279375057 /nfs/dbraw/zinc/37/50/57/279375057.db2.gz DDITYDRQBGDZEL-UHFFFAOYSA-N 2 0 347.507 2.256 10 0 EEAERP COc1ccccc1-n1nccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000281685444 292776301 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0 EEAERP COc1ccccc1/C=C/C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971312 313117460 /nfs/dbraw/zinc/11/74/60/313117460.db2.gz IAWPQRGMRRCORB-NBUZRDOWSA-N 2 0 343.393 2.134 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416794561 313318433 /nfs/dbraw/zinc/31/84/33/313318433.db2.gz PWYONNFZRLOJFH-MJGOQNOKSA-N 2 0 342.487 2.044 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416807153 313321335 /nfs/dbraw/zinc/32/13/35/313321335.db2.gz GSBUGPFPXHELOJ-GVDBMIGSSA-N 2 0 346.475 2.200 10 0 EEAERP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416900605 313354363 /nfs/dbraw/zinc/35/43/63/313354363.db2.gz XHNAOVQVIDNOIF-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)CC(C)C ZINC000416943702 313368763 /nfs/dbraw/zinc/36/87/63/313368763.db2.gz CPHYWWKKMDSRKX-ZIAGYGMSSA-N 2 0 334.455 2.039 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000416974048 313379093 /nfs/dbraw/zinc/37/90/93/313379093.db2.gz WCPIAIOHMCGDGW-BZUAXINKSA-N 2 0 332.492 2.453 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417017219 313395979 /nfs/dbraw/zinc/39/59/79/313395979.db2.gz ORDLKIANWPQOMT-DOTOQJQBSA-N 2 0 336.505 2.136 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417042151 313405642 /nfs/dbraw/zinc/40/56/42/313405642.db2.gz WUKXHIKBGDBRTM-NUJGCVRESA-N 2 0 332.492 2.354 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000417173068 313440565 /nfs/dbraw/zinc/44/05/65/313440565.db2.gz KZVMNEYFEGPCQM-MJGOQNOKSA-N 2 0 348.466 2.214 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417200227 313446948 /nfs/dbraw/zinc/44/69/48/313446948.db2.gz TUOIDGCNLIRCTE-RBUKOAKNSA-N 2 0 340.471 2.159 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1F ZINC000417657450 313557276 /nfs/dbraw/zinc/55/72/76/313557276.db2.gz 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ZINC000570625462 319681980 /nfs/dbraw/zinc/68/19/80/319681980.db2.gz FIKJWJYMTCBOTA-LJQANCHMSA-N 2 0 347.503 2.032 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572974704 319894574 /nfs/dbraw/zinc/89/45/74/319894574.db2.gz NMAOZNSUMXEMKX-VQIMIIECSA-N 2 0 346.475 2.202 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cn2ccccc2n1 ZINC000576530781 320180896 /nfs/dbraw/zinc/18/08/96/320180896.db2.gz ZUPOOXHUDPBDPV-MRXNPFEDSA-N 2 0 329.492 2.259 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000583683337 324710948 /nfs/dbraw/zinc/71/09/48/324710948.db2.gz JAYFPMRKNVNJLO-PLYYQAHHSA-N 2 0 348.466 2.040 10 0 EEAERP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152950033 462598603 /nfs/dbraw/zinc/59/86/03/462598603.db2.gz XGVCVYDAYXLUSG-RBSFLKMASA-N 2 0 327.831 2.468 10 0 EEAERP CC[N@H+](CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000115695134 462725217 /nfs/dbraw/zinc/72/52/17/462725217.db2.gz ZMXFDGZPXGUJMF-UHFFFAOYSA-N 2 0 336.455 2.171 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000133675392 462958742 /nfs/dbraw/zinc/95/87/42/462958742.db2.gz VDMIHRMPPQIBHR-GOSISDBHSA-N 2 0 338.540 2.386 10 0 EEAERP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000124113729 463391757 /nfs/dbraw/zinc/39/17/57/463391757.db2.gz KQYNNOJFQCOVIF-JCYILVPMSA-N 2 0 340.508 2.323 10 0 EEAERP COc1c(C[NH2+]CCCc2nc3ccccc3n2C)c(C)nn1C ZINC000124375217 463415359 /nfs/dbraw/zinc/41/53/59/463415359.db2.gz KPPDVVHAXNOEPA-UHFFFAOYSA-N 2 0 327.432 2.346 10 0 EEAERP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000166182379 463652246 /nfs/dbraw/zinc/65/22/46/463652246.db2.gz YQRIOYVFPQCBBF-CABCVRRESA-N 2 0 349.475 2.482 10 0 EEAERP CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000268361114 463717173 /nfs/dbraw/zinc/71/71/73/463717173.db2.gz PQEBEDYBYLQFST-XLIONFOSSA-N 2 0 331.504 2.468 10 0 EEAERP 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000246419088 464581558 /nfs/dbraw/zinc/58/15/58/464581558.db2.gz LRPUNIBLFOKYNJ-MSOLQXFVSA-N 2 0 338.540 2.480 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@H](C)C1 ZINC000190004642 464583803 /nfs/dbraw/zinc/58/38/03/464583803.db2.gz QPEFIFIFLULVKL-MCIONIFRSA-N 2 0 326.403 2.026 10 0 EEAERP CCCn1cc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000190312095 464620768 /nfs/dbraw/zinc/62/07/68/464620768.db2.gz FMDPCYJFUQBJJX-FQEVSTJZSA-N 2 0 342.487 2.362 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000191557531 464820016 /nfs/dbraw/zinc/82/00/16/464820016.db2.gz QXTVTBNGSPEZEY-CHWSQXEVSA-N 2 0 325.478 2.182 10 0 EEAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000250427396 464928951 /nfs/dbraw/zinc/92/89/51/464928951.db2.gz GPPUDTJYTXHPSC-ZACQAIPSSA-N 2 0 336.524 2.233 10 0 EEAERP CN1CCO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000192978691 465020427 /nfs/dbraw/zinc/02/04/27/465020427.db2.gz UKIAWIKBYYFICM-NXEWRWPSSA-N 2 0 329.488 2.102 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCCC[NH+]2CCCC2)ccc1F ZINC000360926510 465637232 /nfs/dbraw/zinc/63/72/32/465637232.db2.gz SEQXTLOYTNXGJT-UHFFFAOYSA-N 2 0 336.455 2.172 10 0 EEAERP C[C@H]([NH2+]C1(CN[C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000344525830 465641574 /nfs/dbraw/zinc/64/15/74/465641574.db2.gz NSYPSXBKGSDFIY-JENIJYKNSA-N 2 0 331.504 2.426 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000340088209 465755199 /nfs/dbraw/zinc/75/51/99/465755199.db2.gz KIWKAJHGJMXEAE-MSOLQXFVSA-N 2 0 332.492 2.463 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353454717 465896493 /nfs/dbraw/zinc/89/64/93/465896493.db2.gz LQCXYQSQMOKUEN-GBESFXJTSA-N 2 0 335.536 2.484 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N2CCOCC2)o1 ZINC000353464933 465904916 /nfs/dbraw/zinc/90/49/16/465904916.db2.gz WCLUAJXHTYKJTB-YRXWBPOGSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000353466064 465905311 /nfs/dbraw/zinc/90/53/11/465905311.db2.gz YATHZOAOOVZKFJ-XWTMOSNGSA-N 2 0 336.524 2.375 10 0 EEAERP FC(F)(F)CCN1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000361343847 465923429 /nfs/dbraw/zinc/92/34/29/465923429.db2.gz MMBMIONZBJGVAO-UHFFFAOYSA-N 2 0 337.430 2.105 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000366856773 465975988 /nfs/dbraw/zinc/97/59/88/465975988.db2.gz TYFZOUFBNWHUEC-MSOLQXFVSA-N 2 0 348.466 2.212 10 0 EEAERP COc1ccc(C[C@@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000353671142 466056167 /nfs/dbraw/zinc/05/61/67/466056167.db2.gz MYZGHGRIMUUBOM-QGZVFWFLSA-N 2 0 347.503 2.208 10 0 EEAERP C[NH+](C)CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000353820738 466175939 /nfs/dbraw/zinc/17/59/39/466175939.db2.gz ZFOHNUJLIMARSE-KRWDZBQOSA-N 2 0 335.467 2.496 10 0 EEAERP CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353835868 466185140 /nfs/dbraw/zinc/18/51/40/466185140.db2.gz NYDWSPRDMUAHPV-XLSGJFPKSA-N 2 0 334.508 2.268 10 0 EEAERP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367620572 466452429 /nfs/dbraw/zinc/45/24/29/466452429.db2.gz DAHJXPPZSGAQAO-GUDVDZBRSA-N 2 0 345.487 2.116 10 0 EEAERP CN(C)CC(=O)Nc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000354328099 466478917 /nfs/dbraw/zinc/47/89/17/466478917.db2.gz AYXDFUUSRVSTCD-KRWDZBQOSA-N 2 0 346.475 2.390 10 0 EEAERP COc1ccccc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347245813 466505307 /nfs/dbraw/zinc/50/53/07/466505307.db2.gz IOCVYVFFKKAVQS-RDJZCZTQSA-N 2 0 335.492 2.438 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccncc3)cn2)CC1 ZINC000350517523 466525655 /nfs/dbraw/zinc/52/56/55/466525655.db2.gz QZTKFJDYYCPMNC-MRXNPFEDSA-N 2 0 325.460 2.469 10 0 EEAERP COc1cc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000423391923 466736392 /nfs/dbraw/zinc/73/63/92/466736392.db2.gz PUHZOHBYFLXBCC-IAQYHMDHSA-N 2 0 349.372 2.321 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C2)CC1 ZINC000373465580 466813054 /nfs/dbraw/zinc/81/30/54/466813054.db2.gz LRUJAUYZGOWUGD-VIQWUECVSA-N 2 0 348.535 2.377 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000373514493 466830067 /nfs/dbraw/zinc/83/00/67/466830067.db2.gz JKIPLKQPMVLVIJ-UHOSZYNNSA-N 2 0 329.488 2.403 10 0 EEAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417560317 466883793 /nfs/dbraw/zinc/88/37/93/466883793.db2.gz ZQLAHWZHKVZBCM-KSZLIROESA-N 2 0 336.524 2.282 10 0 EEAERP CC(C)([NH3+])CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417589028 466889515 /nfs/dbraw/zinc/88/95/15/466889515.db2.gz UZWYTLOROHEGQQ-ALOPSCKCSA-N 2 0 330.476 2.219 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)NCC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417982031 467008664 /nfs/dbraw/zinc/00/86/64/467008664.db2.gz DISNXQYCOLGXMF-DLBZAZTESA-N 2 0 346.475 2.010 10 0 EEAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC1=O ZINC000374153008 467014231 /nfs/dbraw/zinc/01/42/31/467014231.db2.gz DMXMKQZQDUPTQM-LZQZEXGQSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@H](CCNC(=O)NCCC[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC000418023853 467025602 /nfs/dbraw/zinc/02/56/02/467025602.db2.gz SIODFKHLPWFXPX-QGZVFWFLSA-N 2 0 347.507 2.125 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418037483 467030341 /nfs/dbraw/zinc/03/03/41/467030341.db2.gz DGJJDFMFFPEOAJ-HQRMLTQVSA-N 2 0 344.503 2.420 10 0 EEAERP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418038781 467031048 /nfs/dbraw/zinc/03/10/48/467031048.db2.gz FWLGEUIVPDANEY-IEBWSBKVSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@]1(CNC(=O)NCC2([NH3+])CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418045188 467032762 /nfs/dbraw/zinc/03/27/62/467032762.db2.gz OAWCXEACFNHXOQ-GOSISDBHSA-N 2 0 330.476 2.222 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418429780 467109103 /nfs/dbraw/zinc/10/91/03/467109103.db2.gz OAGRLMLWUOKNRE-SJLPKXTDSA-N 2 0 330.476 2.060 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418548051 467126515 /nfs/dbraw/zinc/12/65/15/467126515.db2.gz JPMRTPDFTOTQMC-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420394442 467393719 /nfs/dbraw/zinc/39/37/19/467393719.db2.gz KPAPLBGQDUMREV-MAUKXSAKSA-N 2 0 341.455 2.137 10 0 EEAERP CC(C)n1cncc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390916690 467417482 /nfs/dbraw/zinc/41/74/82/467417482.db2.gz USSSUGJOEUBOGM-UHFFFAOYSA-N 2 0 341.503 2.371 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414929292 467452392 /nfs/dbraw/zinc/45/23/92/467452392.db2.gz NRXQKKUUCQWREG-HEHGZKQESA-N 2 0 335.448 2.009 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H](CC[NH3+])C(F)F)CC1 ZINC000414986932 467461537 /nfs/dbraw/zinc/46/15/37/467461537.db2.gz IBVYZUBPEXVUHA-INIZCTEOSA-N 2 0 340.462 2.291 10 0 EEAERP COCCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415035120 467471476 /nfs/dbraw/zinc/47/14/76/467471476.db2.gz DIFIDHXHQIJZFM-MSOLQXFVSA-N 2 0 332.492 2.128 10 0 EEAERP COc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c2nccn2C)cc1 ZINC000415119108 467493877 /nfs/dbraw/zinc/49/38/77/467493877.db2.gz WWEWXGYZUBDEII-VKJFTORMSA-N 2 0 328.460 2.496 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449513685 467653823 /nfs/dbraw/zinc/65/38/23/467653823.db2.gz WLSLHZXFAKERJP-RBUKOAKNSA-N 2 0 326.444 2.462 10 0 EEAERP Cc1cncn1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000528642807 467719084 /nfs/dbraw/zinc/71/90/84/467719084.db2.gz MXBQNKQRHUXGOT-QGZVFWFLSA-N 2 0 326.444 2.315 10 0 EEAERP c1[nH]nc(-c2cccnc2)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248595 467968063 /nfs/dbraw/zinc/96/80/63/467968063.db2.gz MXGABFOILIDSNZ-GOSISDBHSA-N 2 0 341.459 2.062 10 0 EEAERP [NH3+]C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000557147351 468615836 /nfs/dbraw/zinc/61/58/36/468615836.db2.gz VHUSQSNVFAFNOG-IPQPSQTFSA-N 2 0 342.487 2.219 10 0 EEAERP COC(=O)c1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(C)o1 ZINC000594608819 468634489 /nfs/dbraw/zinc/63/44/89/468634489.db2.gz BMOIXCJYWDLBGD-UHFFFAOYSA-N 2 0 326.462 2.292 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000600724324 468636464 /nfs/dbraw/zinc/63/64/64/468636464.db2.gz NKFOCRQRWVEGHP-UYFTZEKXSA-N 2 0 340.508 2.322 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000595007816 468742019 /nfs/dbraw/zinc/74/20/19/468742019.db2.gz PGJPMFSGUSUWAQ-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000595052434 468749180 /nfs/dbraw/zinc/74/91/80/468749180.db2.gz WTHRRLKZJRQJPJ-HZPDHXFCSA-N 2 0 328.497 2.445 10 0 EEAERP C[C@@]1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000571303969 468770411 /nfs/dbraw/zinc/77/04/11/468770411.db2.gz NNDCVTXWXYWYQT-MJGOQNOKSA-N 2 0 330.476 2.092 10 0 EEAERP C[C@@H]1CCCN(Cc2csc(NC(=O)CC(F)(F)CN)n2)C1 ZINC000571532617 468803446 /nfs/dbraw/zinc/80/34/46/468803446.db2.gz VSOAPENLLOTYQZ-SNVBAGLBSA-N 2 0 332.420 2.298 10 0 EEAERP C[C@H]1C[C@@H](CCNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000561192558 468873043 /nfs/dbraw/zinc/87/30/43/468873043.db2.gz ZSIYUFCSVYZMSP-DKKFBQAASA-N 2 0 344.503 2.418 10 0 EEAERP CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561213151 468876648 /nfs/dbraw/zinc/87/66/48/468876648.db2.gz WOQYDOAKCSTHQP-RBUKOAKNSA-N 2 0 344.503 2.420 10 0 EEAERP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000595660117 468943523 /nfs/dbraw/zinc/94/35/23/468943523.db2.gz UAKRRZCKKSRVCP-ZWKOTPCHSA-N 2 0 332.444 2.093 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000618547109 469384747 /nfs/dbraw/zinc/38/47/47/469384747.db2.gz BWANEHBBXGFELK-MSOLQXFVSA-N 2 0 332.492 2.463 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629529867 469573122 /nfs/dbraw/zinc/57/31/22/469573122.db2.gz OSVRALAQJBKITF-XUVXKRRUSA-N 3 0 331.504 2.113 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000629652177 469599407 /nfs/dbraw/zinc/59/94/07/469599407.db2.gz CAKBRBMFSQTCTN-UHFFFAOYSA-N 2 0 331.254 2.126 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427765 469654522 /nfs/dbraw/zinc/65/45/22/469654522.db2.gz MBCMTEARWLHIBZ-HSALFYBXSA-N 2 0 345.531 2.332 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC1(C)C ZINC000623638056 469718076 /nfs/dbraw/zinc/71/80/76/469718076.db2.gz SOXQKQUJEJZFOS-AWEZNQCLSA-N 2 0 334.451 2.406 10 0 EEAERP CC(C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000626934487 469760628 /nfs/dbraw/zinc/76/06/28/469760628.db2.gz ZXEKMCPQZKCCMK-SJORKVTESA-N 2 0 336.524 2.327 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617701741 469765613 /nfs/dbraw/zinc/76/56/13/469765613.db2.gz APCVBDPBLYCKHN-YJBOKZPZSA-N 2 0 347.503 2.036 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000624176755 469865921 /nfs/dbraw/zinc/86/59/21/469865921.db2.gz RLWTZGPXBXMJAT-MHJFOBGBSA-N 2 0 331.504 2.350 10 0 EEAERP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634707270 470282909 /nfs/dbraw/zinc/28/29/09/470282909.db2.gz CNGLWEQCTOSKTD-OALUTQOASA-N 2 0 326.525 2.246 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634760355 470299619 /nfs/dbraw/zinc/29/96/19/470299619.db2.gz BYOFXETVTUWEQB-OAHLLOKOSA-N 2 0 333.476 2.135 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000638978351 470343519 /nfs/dbraw/zinc/34/35/19/470343519.db2.gz XYIRXBFPMFTQME-RDJZCZTQSA-N 2 0 330.476 2.334 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000646190770 470560684 /nfs/dbraw/zinc/56/06/84/470560684.db2.gz AARATEBDSATAIN-RTBURBONSA-N 2 0 338.455 2.390 10 0 EEAERP COc1cc2c(cc1C[NH2+]CCCC[NH+]1CCOCC1)O[C@@H](C)C2 ZINC000642621414 470561485 /nfs/dbraw/zinc/56/14/85/470561485.db2.gz ODWGKPKZURBSMW-HNNXBMFYSA-N 2 0 334.460 2.221 10 0 EEAERP Fc1ccccc1Cc1nnc2n1CCN(CCCn1ccnc1)C2 ZINC000649714217 470673297 /nfs/dbraw/zinc/67/32/97/470673297.db2.gz WKHZRSRSRYITIB-UHFFFAOYSA-N 2 0 340.406 2.110 10 0 EEAERP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccncc1 ZINC000647288241 470876869 /nfs/dbraw/zinc/87/68/69/470876869.db2.gz VFWGEPDSKDAYLN-QZTJIDSGSA-N 2 0 332.492 2.346 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1C ZINC000647313076 470880706 /nfs/dbraw/zinc/88/07/06/470880706.db2.gz KEPBJUYRIBMHPE-QAPCUYQASA-N 2 0 349.494 2.359 10 0 EEAERP O[C@@H](C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000644524962 470973347 /nfs/dbraw/zinc/97/33/47/470973347.db2.gz RFKVTISILJXXKM-INIZCTEOSA-N 2 0 345.409 2.102 10 0 EEAERP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000647793200 470985737 /nfs/dbraw/zinc/98/57/37/470985737.db2.gz PIRRWENLDHQQDD-CLWVCHIJSA-N 2 0 339.277 2.460 10 0 EEAERP COc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899419 471010754 /nfs/dbraw/zinc/01/07/54/471010754.db2.gz JTDBNIMQQPDRJA-HKUYNNGSSA-N 2 0 345.487 2.118 10 0 EEAERP CCc1ccc2[nH+]ccc(N3CCN(CC[NH+](C)C)C(=O)C3)c2c1 ZINC000651382585 471153594 /nfs/dbraw/zinc/15/35/94/471153594.db2.gz OYFJKFYZEUVBPV-UHFFFAOYSA-N 2 0 326.444 2.007 10 0 EEAERP CNC(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657535849 471164322 /nfs/dbraw/zinc/16/43/22/471164322.db2.gz SHTGKTHPNBHBNF-UHFFFAOYSA-N 2 0 345.487 2.027 10 0 EEAERP CCn1nc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c2ccccc21 ZINC000657573185 471173055 /nfs/dbraw/zinc/17/30/55/471173055.db2.gz LWGSLHSVKAXARK-INIZCTEOSA-N 2 0 331.508 2.418 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000657574553 471174292 /nfs/dbraw/zinc/17/42/92/471174292.db2.gz ZFZPIXHZGLEXMV-AWEZNQCLSA-N 2 0 335.521 2.500 10 0 EEAERP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657824514 471238457 /nfs/dbraw/zinc/23/84/57/471238457.db2.gz JOHUTJRXFNKIOR-IBGZPJMESA-N 2 0 329.488 2.105 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000652152966 471246019 /nfs/dbraw/zinc/24/60/19/471246019.db2.gz ZIJOIYUNRAEQTJ-KRWDZBQOSA-N 2 0 330.476 2.079 10 0 EEAERP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000652191532 471253246 /nfs/dbraw/zinc/25/32/46/471253246.db2.gz XLNWYODCYFEXKU-NVXWUHKLSA-N 2 0 332.492 2.414 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000658108213 471266476 /nfs/dbraw/zinc/26/64/76/471266476.db2.gz PXLJGVWMQQFGHF-BZSNNMDCSA-N 2 0 335.540 2.308 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000652286761 471267138 /nfs/dbraw/zinc/26/71/38/471267138.db2.gz DUDYEHASUFXVRI-YJBOKZPZSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134750 471269664 /nfs/dbraw/zinc/26/96/64/471269664.db2.gz BTFCVPREAXHJJB-APWZRJJASA-N 2 0 328.460 2.018 10 0 EEAERP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139489 471270198 /nfs/dbraw/zinc/27/01/98/471270198.db2.gz MAPLNGKMANSFTJ-KBXCAEBGSA-N 2 0 328.460 2.146 10 0 EEAERP C[C@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418142 471288406 /nfs/dbraw/zinc/28/84/06/471288406.db2.gz UDJYKOLCXXKFGG-IEBWSBKVSA-N 2 0 344.503 2.244 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000663504074 471402400 /nfs/dbraw/zinc/40/24/00/471402400.db2.gz RSDZCNKWQALZAE-MRXNPFEDSA-N 2 0 345.487 2.133 10 0 EEAERP COCC[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000652926992 471418455 /nfs/dbraw/zinc/41/84/55/471418455.db2.gz UTRHRSGJOXRBDQ-GOSISDBHSA-N 2 0 347.503 2.249 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659031880 471474909 /nfs/dbraw/zinc/47/49/09/471474909.db2.gz PAORITVIMWISDY-GOSISDBHSA-N 2 0 346.475 2.296 10 0 EEAERP C[C@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(C)(C)C[NH+](C)C ZINC000659039603 471482589 /nfs/dbraw/zinc/48/25/89/471482589.db2.gz LTHSMQNSKBXZEN-WMLDXEAASA-N 2 0 348.491 2.445 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669469226 471509261 /nfs/dbraw/zinc/50/92/61/471509261.db2.gz DHIQVRAQSCYDLG-HUUCEWRRSA-N 2 0 330.476 2.352 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C/C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000669562555 471555973 /nfs/dbraw/zinc/55/59/73/471555973.db2.gz KVGNCSWLXMKBAH-XGACYXMMSA-N 2 0 344.381 2.122 10 0 EEAERP [NH3+][C@@H](CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653266782 471559998 /nfs/dbraw/zinc/55/99/98/471559998.db2.gz FPMAAQOVSNAAOI-HCXYKTFWSA-N 2 0 345.487 2.354 10 0 EEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661037349 471598695 /nfs/dbraw/zinc/59/86/95/471598695.db2.gz JICQGKIXVXDXQS-LJQANCHMSA-N 2 0 346.519 2.346 10 0 EEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577316 471684129 /nfs/dbraw/zinc/68/41/29/471684129.db2.gz QESJRDJISWQONK-KZNAEPCWSA-N 2 0 332.492 2.147 10 0 EEAERP [NH3+][C@H](c1cn(C2CC[NH2+]CC2)nn1)c1ccc(Br)cc1 ZINC000656457393 471722516 /nfs/dbraw/zinc/72/25/16/471722516.db2.gz WAEZTDBLFMPTDN-AWEZNQCLSA-N 2 0 336.237 2.013 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000667329286 471740221 /nfs/dbraw/zinc/74/02/21/471740221.db2.gz FCDBJWFRKCUENO-BHIYHBOVSA-N 2 0 344.503 2.385 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cc1ccco1 ZINC000667811473 471917072 /nfs/dbraw/zinc/91/70/72/471917072.db2.gz NCYSSILTQQHXCS-DLBZAZTESA-N 2 0 335.492 2.333 10 0 EEAERP COc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1S(C)(=O)=O ZINC000665280858 471988344 /nfs/dbraw/zinc/98/83/44/471988344.db2.gz NCUHHJRYJZHYLU-TZMCWYRMSA-N 2 0 328.478 2.123 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCc2ccc(F)cc21 ZINC000665640456 472120764 /nfs/dbraw/zinc/12/07/64/472120764.db2.gz VFHGDKUMOVDAPT-AWEZNQCLSA-N 2 0 336.455 2.170 10 0 EEAERP C[C@@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC[NH2+]CC1 ZINC000662685730 472204799 /nfs/dbraw/zinc/20/47/99/472204799.db2.gz HEUUMLVDVYUMEC-KBXCAEBGSA-N 2 0 331.460 2.312 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000662883485 472290197 /nfs/dbraw/zinc/29/01/97/472290197.db2.gz KNVQXPFSKKBZQU-OALUTQOASA-N 2 0 337.423 2.173 10 0 EEAERP O=C(NCCC[NH+]1CCCCC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861828 485559494 /nfs/dbraw/zinc/55/94/94/485559494.db2.gz ACIURANKHJVBCA-UHFFFAOYSA-N 2 0 328.420 2.265 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000673862419 485559839 /nfs/dbraw/zinc/55/98/39/485559839.db2.gz KPUAJMNXFAYULX-JKSUJKDBSA-N 2 0 326.404 2.016 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3c[nH]nc3C)cn2)CC1 ZINC000679334439 485663605 /nfs/dbraw/zinc/66/36/05/485663605.db2.gz UKELLPYTSHQWSE-AWEZNQCLSA-N 2 0 328.464 2.106 10 0 EEAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684373870 485862739 /nfs/dbraw/zinc/86/27/39/485862739.db2.gz DDFAOXXVQLIAGS-IEBWSBKVSA-N 2 0 332.492 2.141 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000685431817 486117960 /nfs/dbraw/zinc/11/79/60/486117960.db2.gz ZPXOHBJWURXQHH-OAHLLOKOSA-N 2 0 349.442 2.328 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2c(F)cccc2F)CC1 ZINC000171589032 534078054 /nfs/dbraw/zinc/07/80/54/534078054.db2.gz YJWFPSRIPGGQJD-GUYCJALGSA-N 2 0 342.430 2.023 10 0 EEAERP C[N@H+](CC(=O)NCc1ccco1)Cc1cc(-n2ccnc2)cs1 ZINC000753541390 577789603 /nfs/dbraw/zinc/78/96/03/577789603.db2.gz YQUUHLMCHPGMOE-UHFFFAOYSA-N 2 0 330.413 2.275 10 0 EEAERP CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261791428 681351201 /nfs/dbraw/zinc/35/12/01/681351201.db2.gz ONOVEGRXSHVUSR-QUCCMNQESA-N 2 0 342.487 2.438 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CC2)COCCO3)cc1 ZINC000895694172 684684516 /nfs/dbraw/zinc/68/45/16/684684516.db2.gz DTOUYIFDGIFHKG-UHFFFAOYSA-N 2 0 334.460 2.008 10 0 EEAERP COC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000895850867 684748253 /nfs/dbraw/zinc/74/82/53/684748253.db2.gz PIIGJZXVGKSAER-KRWDZBQOSA-N 2 0 347.459 2.092 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC[N@@H+]1C ZINC000925314073 691640820 /nfs/dbraw/zinc/64/08/20/691640820.db2.gz CRORNDGGSOIVQQ-FUHWJXTLSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H](C)c1cn2c(n1)CCCC2)N1CC[NH+](C)CC1 ZINC000924634711 692973856 /nfs/dbraw/zinc/97/38/56/692973856.db2.gz ZZBQZZXJSIQITK-WMZOPIPTSA-N 2 0 333.524 2.142 10 0 EEAERP CC(C)[C@@H](C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)[NH+](C)C ZINC000899049759 693584593 /nfs/dbraw/zinc/58/45/93/693584593.db2.gz ZYWUQDAGWZVSTA-AWEZNQCLSA-N 2 0 337.855 2.236 10 0 EEAERP CC(C)OCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001485504240 1191818385 /nfs/dbraw/zinc/81/83/85/1191818385.db2.gz RPBRZUUSHZEKKH-SJLPKXTDSA-N 2 0 339.524 2.111 10 0 EEAERP CCC/C=C/CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001485555369 1191833985 /nfs/dbraw/zinc/83/39/85/1191833985.db2.gz KCJRCCYJWHHOMC-YHTLKTDXSA-N 2 0 349.519 2.130 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588508 1191858643 /nfs/dbraw/zinc/85/86/43/1191858643.db2.gz ZHPODYJDMFOUPK-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1csc(C[NH2+][C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)n1 ZINC001485792794 1191955461 /nfs/dbraw/zinc/95/54/61/1191955461.db2.gz QLLBVEWCMWFPLR-LSDHHAIUSA-N 2 0 338.521 2.024 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001691960726 1176081087 /nfs/dbraw/zinc/08/10/87/1176081087.db2.gz BRUUHJGMMAVVEX-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC001480865718 1176138722 /nfs/dbraw/zinc/13/87/22/1176138722.db2.gz MCNHAYSMWLROJO-QWHCGFSZSA-N 2 0 344.912 2.075 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266755408 1177359383 /nfs/dbraw/zinc/35/93/83/1177359383.db2.gz OYDIVIDOHVBRCF-INIZCTEOSA-N 2 0 344.459 2.121 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001266764362 1177375213 /nfs/dbraw/zinc/37/52/13/1177375213.db2.gz PTIKMFJVKNPUNY-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCCN1Cc1ccc(Cl)nc1)[NH+](C)C ZINC001691105608 1177584708 /nfs/dbraw/zinc/58/47/08/1177584708.db2.gz GVAFCVVIAMJRIX-HUUCEWRRSA-N 2 0 338.883 2.156 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccncc2Cl)CC[N@@H+]1C ZINC001691324827 1177914351 /nfs/dbraw/zinc/91/43/51/1177914351.db2.gz XBNKJVVOEJVWNM-GOEBONIOSA-N 2 0 338.883 2.013 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266979970 1177970919 /nfs/dbraw/zinc/97/09/19/1177970919.db2.gz NEAZEZYVOGINJI-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCc3ccc(Cl)cc3)C2)C1 ZINC001267068958 1178184418 /nfs/dbraw/zinc/18/44/18/1178184418.db2.gz MCVIKZHQUASDNI-IRXDYDNUSA-N 2 0 349.906 2.272 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCCOC)C1 ZINC001267103932 1178249866 /nfs/dbraw/zinc/24/98/66/1178249866.db2.gz IWGSIJXGMQRZNY-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267196576 1178475137 /nfs/dbraw/zinc/47/51/37/1178475137.db2.gz JVHVFKGHXNUSRV-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001480936246 1178914483 /nfs/dbraw/zinc/91/44/83/1178914483.db2.gz YHJAYXXSAYGXJQ-ROUUACIJSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267428768 1178996312 /nfs/dbraw/zinc/99/63/12/1178996312.db2.gz BOPKHKAFANZMGQ-INIZCTEOSA-N 2 0 346.519 2.403 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267494518 1179172146 /nfs/dbraw/zinc/17/21/46/1179172146.db2.gz VUJUSLHUVGBHRE-SJLPKXTDSA-N 2 0 341.540 2.214 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC[C@@H]1CCCCO1 ZINC001267505963 1179208703 /nfs/dbraw/zinc/20/87/03/1179208703.db2.gz QXVKOJDOAUXVNB-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(C[NH+]2CCC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)n1 ZINC001481060255 1179653164 /nfs/dbraw/zinc/65/31/64/1179653164.db2.gz YHHWTQXYFLIPPO-BEFAXECRSA-N 2 0 344.503 2.121 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267772468 1180484383 /nfs/dbraw/zinc/48/43/83/1180484383.db2.gz DKAVDKRFYJDBLZ-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481271355 1180570907 /nfs/dbraw/zinc/57/09/07/1180570907.db2.gz SFPUOYSQGGDUJZ-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001267885535 1180685749 /nfs/dbraw/zinc/68/57/49/1180685749.db2.gz UPNHNIZDPVNFOF-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001267971087 1180877075 /nfs/dbraw/zinc/87/70/75/1180877075.db2.gz YWLIGLNDRSUWCX-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCOCC)CC1 ZINC001481332729 1181053061 /nfs/dbraw/zinc/05/30/61/1181053061.db2.gz DHIDKLFJVLVVBY-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]CC=C(Cl)Cl)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481341429 1181072815 /nfs/dbraw/zinc/07/28/15/1181072815.db2.gz HIGATWBVBOHRRU-GFCCVEGCSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1csc(C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)C(C)C)n1 ZINC001481348189 1181086913 /nfs/dbraw/zinc/08/69/13/1181086913.db2.gz UEMHTODEVOBBNP-HNNXBMFYSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@H]1CCCCO1 ZINC001481350730 1181094554 /nfs/dbraw/zinc/09/45/54/1181094554.db2.gz QDIWPDHVYBNSPB-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)c1C ZINC001481446248 1181367483 /nfs/dbraw/zinc/36/74/83/1181367483.db2.gz FRZLHWFBOVVSFD-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268062555 1181649195 /nfs/dbraw/zinc/64/91/95/1181649195.db2.gz DITDDNTZDHEZCI-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268069717 1181664612 /nfs/dbraw/zinc/66/46/12/1181664612.db2.gz ZYFGDSSQAVFYLU-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268078197 1181684316 /nfs/dbraw/zinc/68/43/16/1181684316.db2.gz BYANAAFRTTYSPW-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC001481654835 1182136766 /nfs/dbraw/zinc/13/67/66/1182136766.db2.gz LWUQCOQHCWHWMC-INIZCTEOSA-N 2 0 349.906 2.272 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379482 1182403927 /nfs/dbraw/zinc/40/39/27/1182403927.db2.gz RRRUDHLIENUEFF-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481750742 1182538584 /nfs/dbraw/zinc/53/85/84/1182538584.db2.gz BSAIOQCURHGLEL-WOJBJXKFSA-N 2 0 343.515 2.494 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)no1 ZINC001268427566 1182599531 /nfs/dbraw/zinc/59/95/31/1182599531.db2.gz YAFMROAYAVGEOS-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001481776714 1182674208 /nfs/dbraw/zinc/67/42/08/1182674208.db2.gz BFBQDVIQHMAXOB-GOSISDBHSA-N 2 0 332.492 2.236 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]Cc2cnoc2C)C1 ZINC001481844531 1182786983 /nfs/dbraw/zinc/78/69/83/1182786983.db2.gz ZROWWKLTNCGWAY-WBVHZDCISA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ocnc1C ZINC001481883699 1182871261 /nfs/dbraw/zinc/87/12/61/1182871261.db2.gz YCZYRHQLCPRDKP-DOTOQJQBSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2nocc2C)C1 ZINC001481987944 1183091812 /nfs/dbraw/zinc/09/18/12/1183091812.db2.gz NVPOSAGSMIYUSI-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001268520357 1183168319 /nfs/dbraw/zinc/16/83/19/1183168319.db2.gz CCXUJLPNAZIHPX-VURNCLMJSA-N 2 0 341.499 2.148 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482066623 1183285725 /nfs/dbraw/zinc/28/57/25/1183285725.db2.gz ARCZLAVZPULANY-VQTJNVASSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001482100552 1183329285 /nfs/dbraw/zinc/32/92/85/1183329285.db2.gz FWGMJFBFAQVBPY-APWZRJJASA-N 2 0 329.488 2.179 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001268647982 1183579120 /nfs/dbraw/zinc/57/91/20/1183579120.db2.gz OQFHPOLPSPDZBS-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001268877425 1183784913 /nfs/dbraw/zinc/78/49/13/1183784913.db2.gz YJZUFUOHSUGWIN-RDJZCZTQSA-N 2 0 348.491 2.192 10 0 EEAERP O=C(N[C@H](C[NH2+]CCc1ccccc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269071373 1183939640 /nfs/dbraw/zinc/93/96/40/1183939640.db2.gz IFWCGYYMLUVPEG-WOJBJXKFSA-N 2 0 341.499 2.055 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001269292559 1184145882 /nfs/dbraw/zinc/14/58/82/1184145882.db2.gz OCTUEBCATNSBRU-SFHVURJKSA-N 2 0 332.492 2.155 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001269653055 1184481703 /nfs/dbraw/zinc/48/17/03/1184481703.db2.gz UQURJGPTPNXEIS-IAQYHMDHSA-N 2 0 334.291 2.132 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269712331 1184544541 /nfs/dbraw/zinc/54/45/41/1184544541.db2.gz PBBQJDFGDRSBRJ-MAUKXSAKSA-N 2 0 348.491 2.050 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001270237842 1184948718 /nfs/dbraw/zinc/94/87/18/1184948718.db2.gz XEIHHCWBFXFODX-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCF)C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001270450703 1185105303 /nfs/dbraw/zinc/10/53/03/1185105303.db2.gz XLVWSJWSIMOOEF-SFHVURJKSA-N 2 0 339.499 2.343 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001270595806 1185192541 /nfs/dbraw/zinc/19/25/41/1185192541.db2.gz QDOQFRANIHVFBQ-QFBILLFUSA-N 2 0 331.504 2.085 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482304070 1185238313 /nfs/dbraw/zinc/23/83/13/1185238313.db2.gz NKRRHXIPSMJDSA-CQSZACIVSA-N 2 0 348.491 2.110 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364260 1185518296 /nfs/dbraw/zinc/51/82/96/1185518296.db2.gz GBYZBZKXINPIJP-GOEBONIOSA-N 2 0 337.895 2.271 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1)[NH+](C)C ZINC001271043803 1185838963 /nfs/dbraw/zinc/83/89/63/1185838963.db2.gz HPEQMIUPOOQZJI-QGZVFWFLSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C/C=C\Cl)C1CCCCC1 ZINC001271353846 1186157639 /nfs/dbraw/zinc/15/76/39/1186157639.db2.gz KOHOPOZLNGGDFF-CXOKCQFOSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001271445551 1186231681 /nfs/dbraw/zinc/23/16/81/1186231681.db2.gz DMQQMKSPSUGYOE-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N(CC[NH2+]CC2CCC2)Cc2ccccc2)C1 ZINC001271826248 1186527743 /nfs/dbraw/zinc/52/77/43/1186527743.db2.gz BSHSMNZDSNCFQY-LJQANCHMSA-N 2 0 329.488 2.357 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001482531853 1186529952 /nfs/dbraw/zinc/52/99/52/1186529952.db2.gz BXLLLNWXVOWLPW-IRXDYDNUSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)C)cs1 ZINC001482555047 1186717863 /nfs/dbraw/zinc/71/78/63/1186717863.db2.gz ZGULLHOGOJZOQJ-BBRMVZONSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272042365 1187229848 /nfs/dbraw/zinc/22/98/48/1187229848.db2.gz DGUUGJGPDDBIDW-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CN(CC[N@H+](C)CCCc1ccsc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001482642974 1187474188 /nfs/dbraw/zinc/47/41/88/1187474188.db2.gz ZZSQEPNEGMQPMY-QGZVFWFLSA-N 2 0 337.533 2.413 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnc(C)s1 ZINC001482691457 1187665726 /nfs/dbraw/zinc/66/57/26/1187665726.db2.gz FMJMMQKZGFLECU-ZBFHGGJFSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)oc1C ZINC001482885044 1187800729 /nfs/dbraw/zinc/80/07/29/1187800729.db2.gz LPTHOLMDCBFKSZ-AWEZNQCLSA-N 2 0 336.480 2.008 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482935024 1187855731 /nfs/dbraw/zinc/85/57/31/1187855731.db2.gz OQNMLSRCMZPWNS-UHFFFAOYSA-N 2 0 337.427 2.290 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)Cn1ccnc1C ZINC001482968659 1187906451 /nfs/dbraw/zinc/90/64/51/1187906451.db2.gz SHKRSAGUNMCPIY-UHFFFAOYSA-N 2 0 336.386 2.108 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001482991386 1187968981 /nfs/dbraw/zinc/96/89/81/1187968981.db2.gz QFVWHMXCTLSDFL-RXYHWBRQSA-N 2 0 339.842 2.335 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001482991385 1187969381 /nfs/dbraw/zinc/96/93/81/1187969381.db2.gz QFVWHMXCTLSDFL-KZSQQDEKSA-N 2 0 339.842 2.335 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cc(F)ccc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001483010090 1187993090 /nfs/dbraw/zinc/99/30/90/1187993090.db2.gz JARSBVUWZYWVRI-NLVOMGJBSA-N 2 0 349.425 2.069 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001483046884 1188259327 /nfs/dbraw/zinc/25/93/27/1188259327.db2.gz IRFRIDWIMZCNPS-TYHIMRJMSA-N 2 0 348.318 2.317 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001272822728 1193561955 /nfs/dbraw/zinc/56/19/55/1193561955.db2.gz HUYLOJCHSVLETI-UKRRQHHQSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\CNC/C(Cl)=C\Cl ZINC001483097876 1188473190 /nfs/dbraw/zinc/47/31/90/1188473190.db2.gz MWJHZNNXROPBOA-VLGCGUMNSA-N 2 0 334.291 2.440 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001483098593 1188474632 /nfs/dbraw/zinc/47/46/32/1188474632.db2.gz RULFVKVLGQGCQI-ONEGZZNKSA-N 2 0 330.476 2.028 10 0 EEAERP Cc1cc(C[NH2+]CC2CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)no1 ZINC001409272252 1188509062 /nfs/dbraw/zinc/50/90/62/1188509062.db2.gz DCYNQRVTBGCDSV-HTWSVDAQSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001272838219 1193571700 /nfs/dbraw/zinc/57/17/00/1193571700.db2.gz SRFTUQQAKATUMX-KCPJHIHWSA-N 2 0 348.397 2.476 10 0 EEAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)CN(C)Cc1ccccc1 ZINC001483199760 1189089236 /nfs/dbraw/zinc/08/92/36/1189089236.db2.gz USRWVWYPSSCHHJ-CYBMUJFWSA-N 2 0 331.382 2.165 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc2ccccc2o1 ZINC001485855753 1193617673 /nfs/dbraw/zinc/61/76/73/1193617673.db2.gz NHZKMQAUEXLERW-PBHICJAKSA-N 2 0 329.444 2.464 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOCc1ccccc1 ZINC001485893932 1193632240 /nfs/dbraw/zinc/63/22/40/1193632240.db2.gz XXSNAOZQTMHYRO-MJGOQNOKSA-N 2 0 347.503 2.124 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccon1 ZINC001409502163 1189902716 /nfs/dbraw/zinc/90/27/16/1189902716.db2.gz HICMZOHGHATWAX-HUUCEWRRSA-N 2 0 336.480 2.122 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1CCOCC1 ZINC001409554926 1190028672 /nfs/dbraw/zinc/02/86/72/1190028672.db2.gz KWPMKWSKWHWCGL-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)N(C)Cc2nocc2C)C1 ZINC001409620538 1190110937 /nfs/dbraw/zinc/11/09/37/1190110937.db2.gz XBGXTXUPZROVDR-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1cccc2cccnc21 ZINC001409682618 1190182729 /nfs/dbraw/zinc/18/27/29/1190182729.db2.gz MUFWHNIKVMXGIZ-YJBOKZPZSA-N 2 0 340.471 2.123 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259619 1190285525 /nfs/dbraw/zinc/28/55/25/1190285525.db2.gz HWGXSKYXGGPNKC-IHRRRGAJSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](C[N@H+](C)CCCCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483351925 1190387649 /nfs/dbraw/zinc/38/76/49/1190387649.db2.gz JJINTBHSQRUTIN-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1conc1C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001409775352 1190434568 /nfs/dbraw/zinc/43/45/68/1190434568.db2.gz FISJYFRBIVBTEX-OAHLLOKOSA-N 2 0 348.491 2.234 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001486087993 1193678106 /nfs/dbraw/zinc/67/81/06/1193678106.db2.gz QBPFSEYGXJFSLD-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001483475824 1190497483 /nfs/dbraw/zinc/49/74/83/1190497483.db2.gz YKONSEPHHPHTMP-OAHLLOKOSA-N 2 0 338.521 2.128 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001483499272 1190513446 /nfs/dbraw/zinc/51/34/46/1190513446.db2.gz IPZNKUMYYUHXJK-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@H](C)c2cnccn2)CC1 ZINC001483500900 1190516878 /nfs/dbraw/zinc/51/68/78/1190516878.db2.gz DOCZLAPMMMALDZ-MRXNPFEDSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C)sc1C ZINC001483512222 1190525700 /nfs/dbraw/zinc/52/57/00/1190525700.db2.gz SHDJIRCNOPJSHD-UHFFFAOYSA-N 2 0 326.510 2.038 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001483560224 1190548526 /nfs/dbraw/zinc/54/85/26/1190548526.db2.gz CEYVWDUXLIXWQM-HZPDHXFCSA-N 2 0 336.505 2.000 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c(C)n1 ZINC001483606155 1190584502 /nfs/dbraw/zinc/58/45/02/1190584502.db2.gz BANCZTODCAREPB-GOSISDBHSA-N 2 0 332.492 2.023 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001486122120 1193687968 /nfs/dbraw/zinc/68/79/68/1193687968.db2.gz PKEVQQGQCHZFMP-MAUKXSAKSA-N 2 0 344.503 2.119 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001272323666 1190761565 /nfs/dbraw/zinc/76/15/65/1190761565.db2.gz RWTUDBGEXZKNBB-OLZOCXBDSA-N 2 0 346.302 2.276 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCN1Cc1ccc2ncccc2c1 ZINC001483710024 1190792300 /nfs/dbraw/zinc/79/23/00/1190792300.db2.gz RXDWOFYMZNZRPV-GOSISDBHSA-N 2 0 340.471 2.266 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cnc(C)s2)C1)[NH+](C)C ZINC001272615224 1190930806 /nfs/dbraw/zinc/93/08/06/1190930806.db2.gz AIAXPHQWTAQDDX-HOCLYGCPSA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCc3cccs3)C2)C1 ZINC001483849560 1191085846 /nfs/dbraw/zinc/08/58/46/1191085846.db2.gz XTKQHCYJMLTPDX-GOSISDBHSA-N 2 0 335.517 2.167 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CCN1C(=O)CC[NH+](C)C ZINC001483907409 1191120049 /nfs/dbraw/zinc/12/00/49/1191120049.db2.gz BETLPDMOFIJYPK-NVXWUHKLSA-N 2 0 349.523 2.059 10 0 EEAERP COc1ccc(C[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001483970700 1191131483 /nfs/dbraw/zinc/13/14/83/1191131483.db2.gz IMLFAWMJAMPKPS-UHFFFAOYSA-N 2 0 333.476 2.118 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001484058769 1191180808 /nfs/dbraw/zinc/18/08/08/1191180808.db2.gz UPCMUDWMEUGZKL-INIZCTEOSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(C)(CNC(=O)CCC[NH+](C)C)CC1 ZINC001484141218 1191236992 /nfs/dbraw/zinc/23/69/92/1191236992.db2.gz BXNPZRDWZALSME-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H]([NH2+]Cc1cnc(Cl)s1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484349032 1191313352 /nfs/dbraw/zinc/31/33/52/1191313352.db2.gz YMTLUPRNNCSXLC-NEPJUHHUSA-N 2 0 344.912 2.075 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001484368699 1191320793 /nfs/dbraw/zinc/32/07/93/1191320793.db2.gz HLNRQAHASWQMFF-QWHCGFSZSA-N 2 0 348.318 2.474 10 0 EEAERP C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C[NH2+]CCCF ZINC001484373997 1191321856 /nfs/dbraw/zinc/32/18/56/1191321856.db2.gz NHTDJYUTXDTTDA-FUHWJXTLSA-N 2 0 349.494 2.448 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001484397678 1191330861 /nfs/dbraw/zinc/33/08/61/1191330861.db2.gz MWJYEKZBRLQABZ-QAQDUYKDSA-N 2 0 327.488 2.344 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793703 1191347980 /nfs/dbraw/zinc/34/79/80/1191347980.db2.gz KJAUBPMAWPNNRC-GFCCVEGCSA-N 2 0 344.286 2.493 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1cnc(C)o1 ZINC001484466808 1191371533 /nfs/dbraw/zinc/37/15/33/1191371533.db2.gz WYKVESIIBYPYDC-QZTJIDSGSA-N 2 0 348.491 2.280 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)CC1 ZINC001484536372 1191403551 /nfs/dbraw/zinc/40/35/51/1191403551.db2.gz TUWFZCLUZIIGTH-MRXNPFEDSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CCC1 ZINC001484638642 1191453848 /nfs/dbraw/zinc/45/38/48/1191453848.db2.gz FUCYATDZKDMGIX-SFHVURJKSA-N 2 0 345.487 2.178 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484819367 1191539425 /nfs/dbraw/zinc/53/94/25/1191539425.db2.gz NDHKVPLEJWYIQZ-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485006419 1191612576 /nfs/dbraw/zinc/61/25/76/1191612576.db2.gz SEVSQYHMGZEVAG-APWZRJJASA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185355 1191680518 /nfs/dbraw/zinc/68/05/18/1191680518.db2.gz DGINVOBXCSRPBN-OLZOCXBDSA-N 2 0 339.430 2.289 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201993 1191683861 /nfs/dbraw/zinc/68/38/61/1191683861.db2.gz ZHHBTGLERYETMV-STQMWFEESA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001485191649 1191686614 /nfs/dbraw/zinc/68/66/14/1191686614.db2.gz SZVIHXCIDUOYKF-RYUDHWBXSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192213 1191686784 /nfs/dbraw/zinc/68/67/84/1191686784.db2.gz ZJAZKFHHAQFFPK-LSDHHAIUSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485207044 1191693131 /nfs/dbraw/zinc/69/31/31/1191693131.db2.gz SVEIQTAJDJBDCI-UONOGXRCSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001485343309 1191746945 /nfs/dbraw/zinc/74/69/45/1191746945.db2.gz BHMRPVDFGUTVQT-CRAIPNDOSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001485370843 1191758942 /nfs/dbraw/zinc/75/89/42/1191758942.db2.gz IJULBPIGEYQJPZ-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cnoc1C)CC2 ZINC001486160212 1193706467 /nfs/dbraw/zinc/70/64/67/1193706467.db2.gz MQVWRSVYCMDHDH-IEBWSBKVSA-N 2 0 348.491 2.328 10 0 EEAERP COCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001486236121 1193761940 /nfs/dbraw/zinc/76/19/40/1193761940.db2.gz MLVANKUIMXENQK-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486240379 1193767210 /nfs/dbraw/zinc/76/72/10/1193767210.db2.gz LSULAPAQSNHBPK-GJZGRUSLSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001486241275 1193767512 /nfs/dbraw/zinc/76/75/12/1193767512.db2.gz VEHGDENSXFVLBG-CQSZACIVSA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486241790 1193768838 /nfs/dbraw/zinc/76/88/38/1193768838.db2.gz ZITQBHUVWXLKSO-DLBZAZTESA-N 2 0 341.540 2.072 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCO[C@H](C)C1)C(=O)C[NH+]1CCCC1 ZINC001486379907 1193890456 /nfs/dbraw/zinc/89/04/56/1193890456.db2.gz SQHPGRJHDLSGTN-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001486442356 1193970187 /nfs/dbraw/zinc/97/01/87/1193970187.db2.gz NLFKTQPSGDEGAC-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001493642772 1197275154 /nfs/dbraw/zinc/27/51/54/1197275154.db2.gz XTPXHEKFWLGVJM-SFHVURJKSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001410352499 1197743656 /nfs/dbraw/zinc/74/36/56/1197743656.db2.gz SMGZSZOABGMRDK-BEFAXECRSA-N 2 0 329.488 2.206 10 0 EEAERP Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000871788123 1197903912 /nfs/dbraw/zinc/90/39/12/1197903912.db2.gz JPYKMLGZOYPVEU-OAHLLOKOSA-N 2 0 338.415 2.292 10 0 EEAERP Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000871788122 1197904073 /nfs/dbraw/zinc/90/40/73/1197904073.db2.gz JPYKMLGZOYPVEU-HNNXBMFYSA-N 2 0 338.415 2.292 10 0 EEAERP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158872 1198064303 /nfs/dbraw/zinc/06/43/03/1198064303.db2.gz YPZWXIPFPIPZIV-JZXOWHBKSA-N 2 0 339.524 2.147 10 0 EEAERP CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865070617 1198073187 /nfs/dbraw/zinc/07/31/87/1198073187.db2.gz UVXRMIASNSNNJK-QZTJIDSGSA-N 2 0 344.503 2.392 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000872228238 1198099423 /nfs/dbraw/zinc/09/94/23/1198099423.db2.gz GIRDNHDFOUZSPA-ISXOHVOVSA-N 2 0 326.506 2.478 10 0 EEAERP C[NH+]1CCN(CCC[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865404959 1198199472 /nfs/dbraw/zinc/19/94/72/1198199472.db2.gz AYAWQDZXQJNCHJ-UHFFFAOYSA-N 2 0 349.372 2.451 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCOC1CCC1)CC2 ZINC001410890439 1198546003 /nfs/dbraw/zinc/54/60/03/1198546003.db2.gz BTMHVISGMQQXAT-HKUYNNGSSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001410941167 1198597591 /nfs/dbraw/zinc/59/75/91/1198597591.db2.gz KASHQQAPOZLCFE-HZPDHXFCSA-N 2 0 348.491 2.008 10 0 EEAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]C/C=C/Cl ZINC001411027890 1198707908 /nfs/dbraw/zinc/70/79/08/1198707908.db2.gz VQOQAARRYBVPKS-PMGBHYCQSA-N 2 0 327.900 2.442 10 0 EEAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001411252536 1198976147 /nfs/dbraw/zinc/97/61/47/1198976147.db2.gz NNBJZSSRKJLZLU-QUSZUCQISA-N 2 0 327.472 2.231 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000810429008 1199507041 /nfs/dbraw/zinc/50/70/41/1199507041.db2.gz UBMVSZJKROZDLQ-YJBOKZPZSA-N 2 0 325.472 2.143 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@]2(F)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870018053 1200409704 /nfs/dbraw/zinc/40/97/04/1200409704.db2.gz UZQIFAAONGKHDY-QQTQMKHKSA-N 2 0 347.478 2.069 10 0 EEAERP CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000870023798 1200413398 /nfs/dbraw/zinc/41/33/98/1200413398.db2.gz AOEYHTPAOHINKC-BRSBDYLESA-N 2 0 335.536 2.423 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH+]2CCCC2)cc1 ZINC000870875830 1200924903 /nfs/dbraw/zinc/92/49/03/1200924903.db2.gz LBIDBJVZBXETMV-RMJJICAUSA-N 2 0 327.472 2.376 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1c1cccs1 ZINC000870892431 1200936219 /nfs/dbraw/zinc/93/62/19/1200936219.db2.gz JTKPHHAHKZQRTR-JGTMWYTQSA-N 2 0 333.501 2.375 10 0 EEAERP CN1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000866518124 1201538642 /nfs/dbraw/zinc/53/86/42/1201538642.db2.gz VCPKZRSTTYXGHJ-XFUTXVRSSA-N 2 0 348.512 2.454 10 0 EEAERP O=C(Cn1ccnc1)NC1(C[NH2+]CCCC2CCCC2)CCOCC1 ZINC001274020625 1204328516 /nfs/dbraw/zinc/32/85/16/1204328516.db2.gz DNSRXIIGYFJVDY-UHFFFAOYSA-N 2 0 348.491 2.109 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cc(C2CC2)no1 ZINC001274027188 1204335322 /nfs/dbraw/zinc/33/53/22/1204335322.db2.gz ULWCPAOADMZAAG-DDKKJVIOSA-N 2 0 346.475 2.187 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1F ZINC001274104958 1204374407 /nfs/dbraw/zinc/37/44/07/1204374407.db2.gz FNKZCAKGXCZJLJ-MJRGOJFPSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]CC2CC(F)(F)C2)cn1 ZINC001274120323 1204384694 /nfs/dbraw/zinc/38/46/94/1204384694.db2.gz YVCPMGXYDBKUII-SNAWJCMRSA-N 2 0 340.418 2.234 10 0 EEAERP COCCCCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001274368260 1205011987 /nfs/dbraw/zinc/01/19/87/1205011987.db2.gz KDYZFRRLIXPBSA-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001274368946 1205012078 /nfs/dbraw/zinc/01/20/78/1205012078.db2.gz WZDQDNCUJOWHHH-QGZVFWFLSA-N 2 0 341.540 2.358 10 0 EEAERP CC[N@H+](C)CCC(=O)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001274489873 1205056086 /nfs/dbraw/zinc/05/60/86/1205056086.db2.gz NGHNIHRVXVNYDL-XDXAGZTOSA-N 2 0 333.451 2.417 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)[NH+](C)C ZINC001274913822 1205206870 /nfs/dbraw/zinc/20/68/70/1205206870.db2.gz XBKQXTSIFQLXMW-RBSFLKMASA-N 2 0 333.467 2.492 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CC[NH+]1CCCCC1 ZINC001275038113 1205241510 /nfs/dbraw/zinc/24/15/10/1205241510.db2.gz FJWSHTJCWWQQOC-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001275202376 1205279689 /nfs/dbraw/zinc/27/96/89/1205279689.db2.gz IKZJHEBHBZIGIE-MAUKXSAKSA-N 2 0 335.467 2.337 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1Cl)[NH+](C)C ZINC001275202165 1205279774 /nfs/dbraw/zinc/27/97/74/1205279774.db2.gz FIBSFBURNUZZNH-BLLLJJGKSA-N 2 0 343.874 2.456 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275310101 1205305232 /nfs/dbraw/zinc/30/52/32/1205305232.db2.gz ZXBPVDKYCLEWPN-HOTGVXAUSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275310100 1205305316 /nfs/dbraw/zinc/30/53/16/1205305316.db2.gz ZXBPVDKYCLEWPN-CVEARBPZSA-N 2 0 335.467 2.194 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275592928 1205435987 /nfs/dbraw/zinc/43/59/87/1205435987.db2.gz VGHJHIJGJJEIDP-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001411611145 1205452658 /nfs/dbraw/zinc/45/26/58/1205452658.db2.gz JGRLUNISXGMMPP-MOPGFXCFSA-N 2 0 331.504 2.396 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001275977212 1205614509 /nfs/dbraw/zinc/61/45/09/1205614509.db2.gz OBUJKJVUTQDEHP-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001276123318 1205785897 /nfs/dbraw/zinc/78/58/97/1205785897.db2.gz XRZZVUAEEBPELP-UQCOIBPSSA-N 2 0 333.823 2.072 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC001412714070 1205841155 /nfs/dbraw/zinc/84/11/55/1205841155.db2.gz REXYKVVSDYVBEG-UHFFFAOYSA-N 2 0 329.488 2.491 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccnnc1 ZINC000924971146 1206056858 /nfs/dbraw/zinc/05/68/58/1206056858.db2.gz SWEXLTUZSYPUOR-HNNXBMFYSA-N 2 0 326.444 2.284 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@@H]([NH3+])C1 ZINC000925525537 1206123338 /nfs/dbraw/zinc/12/33/38/1206123338.db2.gz HUTDESLOUSRSFE-HIFRSBDPSA-N 2 0 325.478 2.054 10 0 EEAERP Cc1ccc(C(=O)NCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1F ZINC000925536765 1206124439 /nfs/dbraw/zinc/12/44/39/1206124439.db2.gz QVYLFZAZSBECBF-HYVNUMGLSA-N 2 0 333.451 2.230 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000925544419 1206125772 /nfs/dbraw/zinc/12/57/72/1206125772.db2.gz RAJKSQCWVSWIEC-QZTJIDSGSA-N 3 0 345.535 2.089 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925563609 1206128757 /nfs/dbraw/zinc/12/87/57/1206128757.db2.gz ONKOXLGDFCSURA-CEXWTWQISA-N 3 0 331.504 2.493 10 0 EEAERP CC1(C)[C@H](NCC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925598704 1206133809 /nfs/dbraw/zinc/13/38/09/1206133809.db2.gz SVUSFXZNRKBBLX-FGTMMUONSA-N 2 0 335.536 2.388 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925599267 1206133950 /nfs/dbraw/zinc/13/39/50/1206133950.db2.gz QTDZRDWUTSDQTM-KBMXLJTQSA-N 2 0 335.879 2.436 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664238 1206141157 /nfs/dbraw/zinc/14/11/57/1206141157.db2.gz DNVCSQMWACYUGA-REEYDVFISA-N 2 0 328.460 2.411 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925667648 1206141985 /nfs/dbraw/zinc/14/19/85/1206141985.db2.gz DCXPZLDKDCMMNZ-IRXDYDNUSA-N 3 0 334.508 2.408 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849349 1206160594 /nfs/dbraw/zinc/16/05/94/1206160594.db2.gz IOHPIESBCOEUHF-DLBZAZTESA-N 2 0 329.444 2.198 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(CC)CC ZINC000925858049 1206162033 /nfs/dbraw/zinc/16/20/33/1206162033.db2.gz RRTSCQFPQSQPBH-BZUAXINKSA-N 2 0 338.492 2.245 10 0 EEAERP [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2nc(CN3CCCCC3)cs2)C1 ZINC000925914922 1206167808 /nfs/dbraw/zinc/16/78/08/1206167808.db2.gz GTFRTFAOFZUGDU-QWHCGFSZSA-N 2 0 337.493 2.378 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000926097023 1206191658 /nfs/dbraw/zinc/19/16/58/1206191658.db2.gz YLSXAMOLWWDCKK-CVEARBPZSA-N 2 0 345.491 2.077 10 0 EEAERP Cc1cc(NC(=O)NCC[N@H+]2CCC[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000930284688 1206546587 /nfs/dbraw/zinc/54/65/87/1206546587.db2.gz ZWNWPDFVGGPISB-HNNXBMFYSA-N 2 0 348.495 2.064 10 0 EEAERP CON(C)C(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000799149371 1208427698 /nfs/dbraw/zinc/42/76/98/1208427698.db2.gz HRTHKPXQOPPFRH-UHFFFAOYSA-N 2 0 334.464 2.030 10 0 EEAERP OC1(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000718007631 1211700553 /nfs/dbraw/zinc/70/05/53/1211700553.db2.gz WKRQKKJLTPGSCT-UHFFFAOYSA-N 2 0 332.488 2.298 10 0 EEAERP C[N@@H+]1CC[C@]2(CCN([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310520 1212501625 /nfs/dbraw/zinc/50/16/25/1212501625.db2.gz OJLVQIPSUCZJLN-ICSRJNTNSA-N 2 0 327.472 2.205 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC000900538550 1234457722 /nfs/dbraw/zinc/45/77/22/1234457722.db2.gz PTJGCHVEQKEUFL-HKUYNNGSSA-N 2 0 345.487 2.260 10 0 EEAERP CC1([NH+]2CCOCC2)CCC([NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC001413215925 1234795308 /nfs/dbraw/zinc/79/53/08/1234795308.db2.gz RBJFHXJANMRLDB-JLAWEPINSA-N 2 0 336.451 2.482 10 0 EEAERP CC(C)[NH+]1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000903191431 1239975238 /nfs/dbraw/zinc/97/52/38/1239975238.db2.gz WLORYWNTKQQQSV-UHFFFAOYSA-N 2 0 345.553 2.089 10 0 EEAERP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903458729 1240529360 /nfs/dbraw/zinc/52/93/60/1240529360.db2.gz IHYIDBHPZAPYQK-ZACQAIPSSA-N 3 0 348.510 2.474 10 0 EEAERP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898860 1242393843 /nfs/dbraw/zinc/39/38/43/1242393843.db2.gz OSSNXUZLGRSWFZ-BPQIPLTHSA-N 2 0 336.524 2.371 10 0 EEAERP CCOCc1ccccc1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903924722 1242518902 /nfs/dbraw/zinc/51/89/02/1242518902.db2.gz ICVOGNQPUNXREC-KRWDZBQOSA-N 2 0 329.448 2.029 10 0 EEAERP CC[C@H](OCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903932272 1242553354 /nfs/dbraw/zinc/55/33/54/1242553354.db2.gz QBWXWGZPUINXJM-HKUYNNGSSA-N 2 0 343.475 2.460 10 0 EEAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958383 1242724565 /nfs/dbraw/zinc/72/45/65/1242724565.db2.gz ZCQYFIDAYBENAQ-UTUOFQBUSA-N 2 0 340.361 2.188 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccc(F)cc1 ZINC001491047988 1258607716 /nfs/dbraw/zinc/60/77/16/1258607716.db2.gz MOTCSZGJBNAKMD-RRQGHBQHSA-N 2 0 333.451 2.465 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001491056589 1258626038 /nfs/dbraw/zinc/62/60/38/1258626038.db2.gz YTGNEIKKBMHKTN-OKILXGFUSA-N 2 0 331.451 2.246 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001491252867 1258847094 /nfs/dbraw/zinc/84/70/94/1258847094.db2.gz FWSKFFOPFKVPIO-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP C[N@H+](CC(=O)NC1CCC([NH2+]C[C@H]2CCOC2)CC1)CC(C)(C)C ZINC001491364132 1258995826 /nfs/dbraw/zinc/99/58/26/1258995826.db2.gz RMOAZMFXSUCDAT-KLAILNCOSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001491454987 1259097527 /nfs/dbraw/zinc/09/75/27/1259097527.db2.gz NIXOZZKMKRLSKZ-LPHOPBHVSA-N 2 0 346.519 2.220 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+][C@H](C)c1cnccn1 ZINC001491507121 1259157303 /nfs/dbraw/zinc/15/73/03/1259157303.db2.gz SBMVFJHWKNZKLP-HUUCEWRRSA-N 2 0 347.507 2.285 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cnoc2C)C1)[NH+](C)C ZINC001267887079 1276748019 /nfs/dbraw/zinc/74/80/19/1276748019.db2.gz BIKPTLCGHKJXOX-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000850357779 1277197843 /nfs/dbraw/zinc/19/78/43/1277197843.db2.gz VFQKAEXKEFOBIW-CZUORRHYSA-N 2 0 347.484 2.053 10 0 EEAERP CCN(CC[NH2+]Cc1ocnc1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001273766048 1285140652 /nfs/dbraw/zinc/14/06/52/1285140652.db2.gz VOCXRONQWZOQIM-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC001489097508 1290368384 /nfs/dbraw/zinc/36/83/84/1290368384.db2.gz ZTJDVNHGTMFAJU-KBPBESRZSA-N 2 0 347.425 2.109 10 0 EEAERP Cc1oncc1C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001490386871 1291274270 /nfs/dbraw/zinc/27/42/70/1291274270.db2.gz AJHACEUXUFSTSI-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2oc(C)nc2C)C2CC2)CC[N@@H+]1C ZINC001490665928 1291548825 /nfs/dbraw/zinc/54/88/25/1291548825.db2.gz XLIPPZWEKIYNDZ-GVDBMIGSSA-N 2 0 348.491 2.006 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]Cc1cncc(F)c1)C1CC1 ZINC001490675594 1291559209 /nfs/dbraw/zinc/55/92/09/1291559209.db2.gz YBPYIOMBHOGZRZ-ROUUACIJSA-N 2 0 348.466 2.080 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000851847838 1291885274 /nfs/dbraw/zinc/88/52/74/1291885274.db2.gz WCTPZFVQDAYWNT-KKUMJFAQSA-N 2 0 336.413 2.233 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852866570 1292220384 /nfs/dbraw/zinc/22/03/84/1292220384.db2.gz XYTZREQCOWZAHX-LPHOPBHVSA-N 2 0 327.472 2.466 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852907351 1292231475 /nfs/dbraw/zinc/23/14/75/1292231475.db2.gz JQNLLJQSFAPMKS-LJQANCHMSA-N 2 0 327.472 2.072 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3OCCCO3)C2)ccn1 ZINC000856588888 1293575149 /nfs/dbraw/zinc/57/51/49/1293575149.db2.gz CKWUADVAXBFLBB-SFHVURJKSA-N 2 0 349.475 2.140 10 0 EEAERP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001276691318 1295563506 /nfs/dbraw/zinc/56/35/06/1295563506.db2.gz WODRPZZFEMZYSH-NNZMDNLPSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927145196 1297035528 /nfs/dbraw/zinc/03/55/28/1297035528.db2.gz JZZZBLBPDMNZKD-CGTJXYLNSA-N 2 0 339.487 2.173 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001278262196 1308928823 /nfs/dbraw/zinc/92/88/23/1308928823.db2.gz BRIBTPHWHJHLBF-QFBILLFUSA-N 2 0 345.487 2.129 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001278327348 1309463933 /nfs/dbraw/zinc/46/39/33/1309463933.db2.gz JADCJHNMEIUZMM-SJORKVTESA-N 2 0 325.472 2.287 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001264685601 1322784443 /nfs/dbraw/zinc/78/44/43/1322784443.db2.gz MKRCUINUSQBAED-KRWDZBQOSA-N 2 0 327.513 2.114 10 0 EEAERP Cc1nocc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001264994925 1322842707 /nfs/dbraw/zinc/84/27/07/1322842707.db2.gz NDNUNQPKVQQXMW-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)C[C@@H]1CC(C)(C)CO1 ZINC001265072881 1322907563 /nfs/dbraw/zinc/90/75/63/1322907563.db2.gz IQDIMYSKDYENCT-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001265461718 1323167977 /nfs/dbraw/zinc/16/79/77/1323167977.db2.gz XILQWFWMBYZXET-AWEZNQCLSA-N 2 0 335.414 2.395 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]cn3)C2)cc1 ZINC001265496142 1323182487 /nfs/dbraw/zinc/18/24/87/1323182487.db2.gz OLSMXEJQCBNHNI-QAQDUYKDSA-N 2 0 326.444 2.130 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265498858 1323184375 /nfs/dbraw/zinc/18/43/75/1323184375.db2.gz KFOBWBORSJWKOH-LUKYLMHMSA-N 2 0 325.472 2.380 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1cccc(F)c1 ZINC001265882436 1323453508 /nfs/dbraw/zinc/45/35/08/1323453508.db2.gz HXNMHZPWPXIPPB-UHFFFAOYSA-N 2 0 333.451 2.392 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265971428 1323531741 /nfs/dbraw/zinc/53/17/41/1323531741.db2.gz MXOKBZIBRBSXEN-HIFRSBDPSA-N 2 0 339.430 2.416 10 0 EEAERP CCc1cnc(CN(C)CCCNC(=O)[C@H]2CCCC[N@H+]2CC)o1 ZINC001265978337 1323538537 /nfs/dbraw/zinc/53/85/37/1323538537.db2.gz IXXGZWAPVCSSFN-MRXNPFEDSA-N 2 0 336.480 2.050 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cncc(C)c1 ZINC001266089639 1323646235 /nfs/dbraw/zinc/64/62/35/1323646235.db2.gz RITIYQIDWADYON-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1cncs1 ZINC001266203685 1323767256 /nfs/dbraw/zinc/76/72/56/1323767256.db2.gz HYXCFQYGEOECOW-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001266214275 1323782391 /nfs/dbraw/zinc/78/23/91/1323782391.db2.gz BZEPNURBAWTRPZ-KBAYOESNSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ncccc1C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001279676290 1323977027 /nfs/dbraw/zinc/97/70/27/1323977027.db2.gz YTAMXXGQMWLSAO-LJQANCHMSA-N 2 0 344.503 2.225 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)c(C)o1 ZINC001280074789 1324076715 /nfs/dbraw/zinc/07/67/15/1324076715.db2.gz VPELEHUVZYNYNN-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001280173920 1324104319 /nfs/dbraw/zinc/10/43/19/1324104319.db2.gz UQTZNTROSYPLSN-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001280434351 1324223524 /nfs/dbraw/zinc/22/35/24/1324223524.db2.gz RFGBFBZUWSWZJE-MJGOQNOKSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)c1 ZINC001276622946 1324842218 /nfs/dbraw/zinc/84/22/18/1324842218.db2.gz BXWXEJVWOXAXEI-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001276686154 1325341693 /nfs/dbraw/zinc/34/16/93/1325341693.db2.gz DLDVLGCOECHSGX-UYAOXDASSA-N 2 0 343.515 2.364 10 0 EEAERP COCCCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001282462550 1325727114 /nfs/dbraw/zinc/72/71/14/1325727114.db2.gz WAOPEXZMBFSFKS-QAPCUYQASA-N 2 0 345.503 2.062 10 0 EEAERP CCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001282781133 1325784902 /nfs/dbraw/zinc/78/49/02/1325784902.db2.gz IWOPEHBVRGXXQE-PKOBYXMFSA-N 2 0 339.524 2.066 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001282929280 1325839145 /nfs/dbraw/zinc/83/91/45/1325839145.db2.gz OXUHCLMJRDFACZ-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC001282992018 1325870926 /nfs/dbraw/zinc/87/09/26/1325870926.db2.gz FLTBXJUKBRVLLA-IHBUEBGLSA-N 2 0 344.503 2.489 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nccs1 ZINC001283174165 1325944475 /nfs/dbraw/zinc/94/44/75/1325944475.db2.gz QXHNNWFLMKEDEJ-LSDHHAIUSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1ncsc1C[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001283184603 1325947755 /nfs/dbraw/zinc/94/77/55/1325947755.db2.gz FDJHGBVPNXPOPD-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001283377527 1326037816 /nfs/dbraw/zinc/03/78/16/1326037816.db2.gz LTJJSENKTWHZFA-ZHALLVOQSA-N 2 0 347.503 2.152 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001284071565 1326393138 /nfs/dbraw/zinc/39/31/38/1326393138.db2.gz MVWSGJZRFKXHSS-XLIONFOSSA-N 2 0 349.519 2.012 10 0 EEAERP CN(C[C@H](O)C[NH2+]CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001284477944 1326575367 /nfs/dbraw/zinc/57/53/67/1326575367.db2.gz RNAZOCDMXULBEU-GOSISDBHSA-N 2 0 349.519 2.207 10 0 EEAERP Cc1cc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)cs1 ZINC001284986910 1326813548 /nfs/dbraw/zinc/81/35/48/1326813548.db2.gz UWPKUVVXARUAKJ-UHFFFAOYSA-N 2 0 333.501 2.401 10 0 EEAERP COCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491888978 1330290597 /nfs/dbraw/zinc/29/05/97/1330290597.db2.gz MAEDYTIBIDXULV-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001491944648 1330335885 /nfs/dbraw/zinc/33/58/85/1330335885.db2.gz XCXMOQXMMKMXTG-IAGOWNOFSA-N 2 0 347.507 2.111 10 0 EEAERP C[C@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491955702 1330347786 /nfs/dbraw/zinc/34/77/86/1330347786.db2.gz DAXBPWKYRUOTSD-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001316802217 1331900683 /nfs/dbraw/zinc/90/06/83/1331900683.db2.gz IFTKLXDSOFTCII-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCCC2CCOCC2)C1 ZINC001316995349 1332035981 /nfs/dbraw/zinc/03/59/81/1332035981.db2.gz PTTRKYFPCKRMRW-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001317161916 1332106449 /nfs/dbraw/zinc/10/64/49/1332106449.db2.gz FSYJBOFUDUQVKI-QXBNDQRDSA-N 2 0 341.499 2.480 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317301094 1332170417 /nfs/dbraw/zinc/17/04/17/1332170417.db2.gz VBCNDZPCWGUEBH-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317363589 1332196347 /nfs/dbraw/zinc/19/63/47/1332196347.db2.gz NFZHZQRFXPEMMT-OALUTQOASA-N 2 0 347.503 2.415 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001317405292 1332216436 /nfs/dbraw/zinc/21/64/36/1332216436.db2.gz GUGMFFATYMFQMQ-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001317596725 1332316830 /nfs/dbraw/zinc/31/68/30/1332316830.db2.gz LVBZPQWAVDOYTO-QGZVFWFLSA-N 2 0 333.476 2.118 10 0 EEAERP Cc1ccccc1OCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600197 1332319250 /nfs/dbraw/zinc/31/92/50/1332319250.db2.gz GPVOBETXJIWCTM-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CCC(F)(F)F)ccc2c[nH+]cn21 ZINC001317602504 1332321113 /nfs/dbraw/zinc/32/11/13/1332321113.db2.gz ARNDPLHNMOTLCC-UHFFFAOYSA-N 2 0 328.338 2.257 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CCCc2ccsc2)CC[N@@H+]1C ZINC001317624070 1332333825 /nfs/dbraw/zinc/33/38/25/1332333825.db2.gz XKSXVCRHLHFAMO-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660396 1332355917 /nfs/dbraw/zinc/35/59/17/1332355917.db2.gz CNKJFNOYUWTUSR-CQSZACIVSA-N 2 0 343.393 2.205 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCOCc2ccccc2)C1)[NH+](C)C ZINC001318443373 1332535691 /nfs/dbraw/zinc/53/56/91/1332535691.db2.gz WNAMPELFSBKGIA-MOPGFXCFSA-N 2 0 347.503 2.076 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOc1ccc(C)cc1 ZINC001318569141 1332562297 /nfs/dbraw/zinc/56/22/97/1332562297.db2.gz SGCWYIMAOKHFDX-GOSISDBHSA-N 2 0 347.503 2.200 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318594326 1332565390 /nfs/dbraw/zinc/56/53/90/1332565390.db2.gz HFPPEOLQTRAINI-CABCVRRESA-N 2 0 338.883 2.061 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cnoc2C)CC1 ZINC001318926379 1332624991 /nfs/dbraw/zinc/62/49/91/1332624991.db2.gz PWXQGVDFVJBLOE-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319572755 1332722920 /nfs/dbraw/zinc/72/29/20/1332722920.db2.gz DJESWZSDVOONIQ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nccs1 ZINC001319737179 1332754611 /nfs/dbraw/zinc/75/46/11/1332754611.db2.gz WHTLGECYGXYJRQ-HUUCEWRRSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001319757883 1332760059 /nfs/dbraw/zinc/76/00/59/1332760059.db2.gz HGTUWVXSAJTXTR-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)co1 ZINC001319787065 1332767295 /nfs/dbraw/zinc/76/72/95/1332767295.db2.gz DCZLCVWXONKSOQ-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001320414466 1332877942 /nfs/dbraw/zinc/87/79/42/1332877942.db2.gz HYZNEYZTIVKGNT-HNNXBMFYSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320527897 1332903750 /nfs/dbraw/zinc/90/37/50/1332903750.db2.gz DCZNPGAFEUXMLY-CRAIPNDOSA-N 2 0 348.491 2.456 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320736466 1332942942 /nfs/dbraw/zinc/94/29/42/1332942942.db2.gz BFABIBHOBIRSAX-CRAIPNDOSA-N 2 0 335.467 2.434 10 0 EEAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320819458 1332959655 /nfs/dbraw/zinc/95/96/55/1332959655.db2.gz JEQPEDTVLNGAKG-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001321104339 1333020235 /nfs/dbraw/zinc/02/02/35/1333020235.db2.gz APVQQOOBOALNSX-JFDDCEBESA-N 2 0 338.883 2.083 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001322032727 1333199482 /nfs/dbraw/zinc/19/94/82/1333199482.db2.gz JMYQVKJQFINFKK-SFHVURJKSA-N 2 0 347.503 2.200 10 0 EEAERP CCCC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001323034707 1333373035 /nfs/dbraw/zinc/37/30/35/1333373035.db2.gz TWHCEGLPLRWOBJ-QGZVFWFLSA-N 2 0 327.432 2.165 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCCCF)C2)C1 ZINC001323843104 1333552860 /nfs/dbraw/zinc/55/28/60/1333552860.db2.gz DMKGQCJYJIRGBV-SJLPKXTDSA-N 2 0 325.472 2.145 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCCCCF ZINC001324162541 1333621662 /nfs/dbraw/zinc/62/16/62/1333621662.db2.gz LIGNJVKGFMICED-SJORKVTESA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001324614219 1333722262 /nfs/dbraw/zinc/72/22/62/1333722262.db2.gz FQIYVOIALBDVPR-PKOBYXMFSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326349560 1334073960 /nfs/dbraw/zinc/07/39/60/1334073960.db2.gz NOJFRZLXBNJGQL-UAGQMJEPSA-N 2 0 348.491 2.042 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001326714003 1334148435 /nfs/dbraw/zinc/14/84/35/1334148435.db2.gz RUTRXSQXVIYMBL-CABCVRRESA-N 2 0 347.425 2.251 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001326980499 1334195867 /nfs/dbraw/zinc/19/58/67/1334195867.db2.gz UTTRHCTUCDLARC-NZSAHSFTSA-N 2 0 349.519 2.034 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC001327940948 1334367405 /nfs/dbraw/zinc/36/74/05/1334367405.db2.gz OGTHAZGYGRALMD-UILUVHTGSA-N 2 0 336.307 2.474 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2OC)C[C@H]1C ZINC001328255038 1334427348 /nfs/dbraw/zinc/42/73/48/1334427348.db2.gz GXSKQQFHNCBWDC-WBVHZDCISA-N 2 0 349.475 2.028 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCOC(C)C)[NH+](C)C ZINC001328693299 1334500203 /nfs/dbraw/zinc/50/02/03/1334500203.db2.gz HEBSYTOVUSAHQY-GUDVDZBRSA-N 2 0 347.503 2.123 10 0 EEAERP Cc1ccc(CC[NH2+]CC2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001328941197 1334552824 /nfs/dbraw/zinc/55/28/24/1334552824.db2.gz OGSHMQOOMFLUAC-HDYDNRTBSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1coc(C2CC2)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001330910474 1334925239 /nfs/dbraw/zinc/92/52/39/1334925239.db2.gz KBXNPGRIUAUSHK-AWEZNQCLSA-N 2 0 348.491 2.268 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCCCCF)C(C)(C)C2)C1 ZINC001332435914 1335823663 /nfs/dbraw/zinc/82/36/63/1335823663.db2.gz BWYDDQNZSLJPTD-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP COCCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001333154430 1335972468 /nfs/dbraw/zinc/97/24/68/1335972468.db2.gz TYWXXXJEIQAFPY-ABHNRTSZSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CCCN(C(=[NH2+])NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849117722 1339146024 /nfs/dbraw/zinc/14/60/24/1339146024.db2.gz SDFUDZVAVVIVKL-KRWDZBQOSA-N 2 0 344.503 2.270 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+](CCC2)C3)oc1C ZINC001670138756 1356283431 /nfs/dbraw/zinc/28/34/31/1356283431.db2.gz OSTFRZMZJOETLX-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001500273201 1342126655 /nfs/dbraw/zinc/12/66/55/1342126655.db2.gz SDZOAHKYQHJVIB-LJQANCHMSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCc2ccccc2)C1 ZINC001506678681 1342311550 /nfs/dbraw/zinc/31/15/50/1342311550.db2.gz VVONNOZKKKRCOW-KRWDZBQOSA-N 2 0 329.488 2.152 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC001673238677 1356657117 /nfs/dbraw/zinc/65/71/17/1356657117.db2.gz XPEOIZBCLPUFII-CYBMUJFWSA-N 2 0 348.318 2.295 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001673985713 1356767841 /nfs/dbraw/zinc/76/78/41/1356767841.db2.gz PAQYGGNSFSJPFO-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)ccc1C ZINC001566678921 1342598929 /nfs/dbraw/zinc/59/89/29/1342598929.db2.gz HRFUEBOXGSHINV-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC23CC[NH+](CCCCCF)CC3)C1 ZINC001566695304 1342606027 /nfs/dbraw/zinc/60/60/27/1342606027.db2.gz YUNNRGLWPZDKCN-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001566757751 1342624548 /nfs/dbraw/zinc/62/45/48/1342624548.db2.gz NPZIRUSMZLEUBO-OKYOBFRVSA-N 2 0 349.519 2.105 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](C[NH2+]CCCCCF)C1 ZINC001566893705 1342647816 /nfs/dbraw/zinc/64/78/16/1342647816.db2.gz MZNYCXQWXXOHAO-SJLPKXTDSA-N 2 0 339.499 2.296 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001566956101 1342660205 /nfs/dbraw/zinc/66/02/05/1342660205.db2.gz SRWATASVPKYCTN-QZTJIDSGSA-N 2 0 348.491 2.143 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001566991874 1342674927 /nfs/dbraw/zinc/67/49/27/1342674927.db2.gz KOYHNXXHNRSDMX-UHFFFAOYSA-N 2 0 347.503 2.423 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001567048578 1342685728 /nfs/dbraw/zinc/68/57/28/1342685728.db2.gz YJSLTJOXVOTMNR-BZSNNMDCSA-N 2 0 347.503 2.198 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001567267828 1342728810 /nfs/dbraw/zinc/72/88/10/1342728810.db2.gz YVFGJQNZTVUXTM-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@H+](CCCCc1ccccc1)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567281694 1342732853 /nfs/dbraw/zinc/73/28/53/1342732853.db2.gz FAFQVIVILRNDSK-HXUWFJFHSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCCCF)CC[N@@H+]1C ZINC001567373538 1342748051 /nfs/dbraw/zinc/74/80/51/1342748051.db2.gz JXXTXHSBCBUADE-ULQDDVLXSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001569985229 1342989222 /nfs/dbraw/zinc/98/92/22/1342989222.db2.gz NUYYRCWDWITPET-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001570142693 1343015597 /nfs/dbraw/zinc/01/55/97/1343015597.db2.gz RSMPCBNTOKFHRJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001571464159 1343213885 /nfs/dbraw/zinc/21/38/85/1343213885.db2.gz IFFOGPABFPIQAU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001571634371 1343255841 /nfs/dbraw/zinc/25/58/41/1343255841.db2.gz HIDKWPJCYXYQAS-IRXDYDNUSA-N 2 0 341.540 2.408 10 0 EEAERP CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001677371696 1357322531 /nfs/dbraw/zinc/32/25/31/1357322531.db2.gz KUPZXOOMGOVRFN-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[NH+]1CCC(C(=O)NCCCCc2cc[nH+]c(N)c2)CC1 ZINC001649193509 1352402985 /nfs/dbraw/zinc/40/29/85/1352402985.db2.gz IJZZUVMSPOUMHZ-UHFFFAOYSA-N 2 0 332.492 2.471 10 0 EEAERP CCNc1cc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccn1 ZINC001650536208 1353978369 /nfs/dbraw/zinc/97/83/69/1353978369.db2.gz NWYBISMVSZAJOM-GJZGRUSLSA-N 2 0 333.480 2.433 10 0 EEAERP CCc1nocc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001660138842 1354403471 /nfs/dbraw/zinc/40/34/71/1354403471.db2.gz LCPUOIHCZQNGNQ-QGZVFWFLSA-N 2 0 336.480 2.048 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)Cc1cncc(F)c1 ZINC001660190856 1354413629 /nfs/dbraw/zinc/41/36/29/1354413629.db2.gz UXGOKVKNNOXDOU-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@H](C)O2)ccc2c[nH+]cn21 ZINC001660203709 1354416228 /nfs/dbraw/zinc/41/62/28/1354416228.db2.gz SJKOPEITQGCGQZ-YOEHRIQHSA-N 2 0 344.459 2.262 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001660368947 1354450000 /nfs/dbraw/zinc/45/00/00/1354450000.db2.gz NVQGZFXWVOSUTO-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001662238650 1354766854 /nfs/dbraw/zinc/76/68/54/1354766854.db2.gz BIZLMBCAMUITKZ-NWDGAFQWSA-N 2 0 336.307 2.149 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001662729003 1354833289 /nfs/dbraw/zinc/83/32/89/1354833289.db2.gz URJMFTBMEKHIEC-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001662779503 1354845169 /nfs/dbraw/zinc/84/51/69/1354845169.db2.gz NNFFOLFBZCLIMX-HUUCEWRRSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001662940525 1354878531 /nfs/dbraw/zinc/87/85/31/1354878531.db2.gz RVRLQLGZALQLFF-GFCCVEGCSA-N 2 0 341.415 2.237 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCF ZINC001663085458 1354910024 /nfs/dbraw/zinc/91/00/24/1354910024.db2.gz HFEURMKBQGYHRL-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001665487301 1355317273 /nfs/dbraw/zinc/31/72/73/1355317273.db2.gz JOAGSGVIALSQDJ-IBGZPJMESA-N 2 0 329.488 2.318 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001666093878 1355449731 /nfs/dbraw/zinc/44/97/31/1355449731.db2.gz YXSLFZREORGCOX-WMZOPIPTSA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001666120292 1355458206 /nfs/dbraw/zinc/45/82/06/1355458206.db2.gz RCFKSTHXXNJBOI-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001666428822 1355526062 /nfs/dbraw/zinc/52/60/62/1355526062.db2.gz PXFPJQBPDMOZNB-KURKYZTESA-N 2 0 339.524 2.112 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001666647020 1355558906 /nfs/dbraw/zinc/55/89/06/1355558906.db2.gz VPRCHVYFINQKQF-QGZVFWFLSA-N 2 0 343.515 2.229 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001667203862 1355672802 /nfs/dbraw/zinc/67/28/02/1355672802.db2.gz MIYGXYKNGVADKA-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001667441328 1355742512 /nfs/dbraw/zinc/74/25/12/1355742512.db2.gz XMZQYYLZRPTGSN-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)on1 ZINC001668318680 1355922639 /nfs/dbraw/zinc/92/26/39/1355922639.db2.gz BDLRFEJVWYPJBQ-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834194 1356016951 /nfs/dbraw/zinc/01/69/51/1356016951.db2.gz SQJXVEGSSGMCJI-IQJJSDQYSA-N 2 0 345.487 2.358 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668884231 1356035391 /nfs/dbraw/zinc/03/53/91/1356035391.db2.gz YUNKCUVROBCOGJ-NCWIEVAOSA-N 2 0 346.475 2.070 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cc2ccccc2o1)C12CC[NH+](CC1)C2 ZINC001669138384 1356104405 /nfs/dbraw/zinc/10/44/05/1356104405.db2.gz HMDZQURDBFICJO-ONEGZZNKSA-N 2 0 339.439 2.291 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669377646 1356152492 /nfs/dbraw/zinc/15/24/92/1356152492.db2.gz YCOXKETUYQDIRI-PBHICJAKSA-N 2 0 337.895 2.461 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001671364360 1356332410 /nfs/dbraw/zinc/33/24/10/1356332410.db2.gz LXDMKRCHNCFONP-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671893164 1356433589 /nfs/dbraw/zinc/43/35/89/1356433589.db2.gz ZKMLLHCBUTUULP-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001672537431 1356549654 /nfs/dbraw/zinc/54/96/54/1356549654.db2.gz HUFMHBHBIFMPQD-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698828815 1405095899 /nfs/dbraw/zinc/09/58/99/1405095899.db2.gz QCZGJUYYYGYHCF-WMZOPIPTSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698912677 1405154745 /nfs/dbraw/zinc/15/47/45/1405154745.db2.gz BTQMAKBFFGTEKD-IXDOHACOSA-N 2 0 348.491 2.184 10 0 EEAERP CCN1CCO[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001699551695 1405388581 /nfs/dbraw/zinc/38/85/81/1405388581.db2.gz RAZPKQTYFGATQW-PKOBYXMFSA-N 2 0 347.503 2.215 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CCN(Cc2ccnc(Cl)c2)C1 ZINC001699828205 1405513489 /nfs/dbraw/zinc/51/34/89/1405513489.db2.gz ZSHKINQAXBGJNC-QGZVFWFLSA-N 2 0 338.883 2.157 10 0 EEAERP C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000925792812 776699484 /nfs/dbraw/zinc/69/94/84/776699484.db2.gz WIPYOYGDJFJALO-MDZLAQPJSA-N 2 0 332.416 2.189 10 0 EEAERP CN(CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC000705971488 784911505 /nfs/dbraw/zinc/91/15/05/784911505.db2.gz CSEDGYAWCWSEFQ-MQVJKMGUSA-N 2 0 341.496 2.085 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000819174796 785447262 /nfs/dbraw/zinc/44/72/62/785447262.db2.gz RMFFOGBDGCAEAP-GBESFXJTSA-N 2 0 336.451 2.135 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000819359350 785520160 /nfs/dbraw/zinc/52/01/60/785520160.db2.gz DWNZRKVLURVJJN-QGZVFWFLSA-N 2 0 327.384 2.175 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001136767526 787884299 /nfs/dbraw/zinc/88/42/99/787884299.db2.gz UDQDYIUVNODPCW-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000711364942 788803012 /nfs/dbraw/zinc/80/30/12/788803012.db2.gz CBDBYWMZHVRVEL-SFHVURJKSA-N 2 0 329.488 2.355 10 0 EEAERP CCc1[nH]nc(Cl)c1CNCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000921523437 788837721 /nfs/dbraw/zinc/83/77/21/788837721.db2.gz ZTEMAHGKPHJUMT-UHFFFAOYSA-N 2 0 348.882 2.062 10 0 EEAERP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923282834 789296484 /nfs/dbraw/zinc/29/64/84/789296484.db2.gz YMQWWLRAIVXIJI-RYUDHWBXSA-N 2 0 333.259 2.404 10 0 EEAERP Cc1nc(CN2CC[NH2+]CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000923463538 789601749 /nfs/dbraw/zinc/60/17/49/789601749.db2.gz UJVMVMGSJVPFOH-UHFFFAOYSA-N 2 0 334.851 2.298 10 0 EEAERP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923502472 789666549 /nfs/dbraw/zinc/66/65/49/789666549.db2.gz ZPGMNIJNVKLLCE-LPHOPBHVSA-N 2 0 331.504 2.385 10 0 EEAERP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923498246 789675743 /nfs/dbraw/zinc/67/57/43/789675743.db2.gz KGDRTYUWAXHYSE-FUHWJXTLSA-N 2 0 347.503 2.049 10 0 EEAERP CCCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846226791 790094013 /nfs/dbraw/zinc/09/40/13/790094013.db2.gz CADSKKPXWSQXHH-BBWFWOEESA-N 2 0 325.497 2.044 10 0 EEAERP CCN1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1=O ZINC000716713305 796444719 /nfs/dbraw/zinc/44/47/19/796444719.db2.gz OFISEJDXBQRJAG-MANSERQUSA-N 2 0 327.472 2.250 10 0 EEAERP C[NH+]1CCN(c2cc[nH+]cc2NCc2cccc3[nH]c(=O)oc32)CC1 ZINC000921928291 798147961 /nfs/dbraw/zinc/14/79/61/798147961.db2.gz STTBPNNEBQUHAO-UHFFFAOYSA-N 2 0 339.399 2.292 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N2C[C@H](C)OC(C)(C)C2)CC1 ZINC000929277341 799751367 /nfs/dbraw/zinc/75/13/67/799751367.db2.gz STUTWHMEOMPSGC-INIZCTEOSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000922291704 800311995 /nfs/dbraw/zinc/31/19/95/800311995.db2.gz HGWZBIMNKXPYOI-ABHNRTSZSA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)O[C@]1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000922610441 801512819 /nfs/dbraw/zinc/51/28/19/801512819.db2.gz COUWQXKJSXONIB-IBGZPJMESA-N 2 0 336.476 2.301 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000922801122 801946834 /nfs/dbraw/zinc/94/68/34/801946834.db2.gz CRZOCOOLXJARLV-KGLIPLIRSA-N 2 0 339.281 2.351 10 0 EEAERP Cc1nc(F)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000787274207 807076615 /nfs/dbraw/zinc/07/66/15/807076615.db2.gz YOPXPYUAGYUNPB-UHFFFAOYSA-N 2 0 334.483 2.379 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CCCCCF)CC[C@@H]3C2)CC1 ZINC001566048786 1125524718 /nfs/dbraw/zinc/52/47/18/1125524718.db2.gz YLRROXRYNNMAIC-SJORKVTESA-N 2 0 339.499 2.248 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCOCC(C)C)C1)[NH+](C)C ZINC001566075235 1125547472 /nfs/dbraw/zinc/54/74/72/1125547472.db2.gz JDTLFNUKUMKOAM-ZWKOTPCHSA-N 2 0 341.540 2.360 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001566508879 1125678638 /nfs/dbraw/zinc/67/86/38/1125678638.db2.gz SZFVPNAHUPAGGB-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001436761900 1088281664 /nfs/dbraw/zinc/28/16/64/1088281664.db2.gz ZTBWMHWTRDNLRH-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001436790912 1088352576 /nfs/dbraw/zinc/35/25/76/1088352576.db2.gz RMNFDEJYSJRYNC-UXHICEINSA-N 2 0 341.499 2.321 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001436794785 1088363254 /nfs/dbraw/zinc/36/32/54/1088363254.db2.gz YQBIYWCEAPBXQM-CVEARBPZSA-N 2 0 327.488 2.483 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC001436832999 1088452688 /nfs/dbraw/zinc/45/26/88/1088452688.db2.gz MSVDNWXIUCSBJX-ROUUACIJSA-N 2 0 348.491 2.096 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436961827 1088652415 /nfs/dbraw/zinc/65/24/15/1088652415.db2.gz AOGFACJJOIPFFJ-CALCHBBNSA-N 2 0 333.451 2.213 10 0 EEAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC001437235387 1089335551 /nfs/dbraw/zinc/33/55/51/1089335551.db2.gz OAFBRZTUODNLPJ-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)sn1 ZINC001437330297 1089508352 /nfs/dbraw/zinc/50/83/52/1089508352.db2.gz OOUVQEZZZREXRO-LSDHHAIUSA-N 2 0 338.521 2.310 10 0 EEAERP C[N@H+](CCC(F)(F)F)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437339706 1089533736 /nfs/dbraw/zinc/53/37/36/1089533736.db2.gz WUIFTUXOPLJUPC-ZIAGYGMSSA-N 2 0 335.414 2.346 10 0 EEAERP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001437840489 1090425306 /nfs/dbraw/zinc/42/53/06/1090425306.db2.gz NMJVGUYCOZVRCN-ZIAGYGMSSA-N 2 0 339.430 2.416 10 0 EEAERP CCc1nocc1C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001438377846 1090860202 /nfs/dbraw/zinc/86/02/02/1090860202.db2.gz RDNPFNODAORXHD-NVXWUHKLSA-N 2 0 336.480 2.096 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001438540169 1091032386 /nfs/dbraw/zinc/03/23/86/1091032386.db2.gz INCPIJWRGAPBFY-HNNXBMFYSA-N 2 0 329.488 2.241 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001438650449 1091134686 /nfs/dbraw/zinc/13/46/86/1091134686.db2.gz KHKFSFYBQWYFLA-AEFFLSMTSA-N 2 0 349.523 2.273 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438680810 1091177398 /nfs/dbraw/zinc/17/73/98/1091177398.db2.gz IMVHFDZFXWYVOD-GOEBONIOSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438736548 1091284219 /nfs/dbraw/zinc/28/42/19/1091284219.db2.gz REDHIGYLCOAVAB-AEFFLSMTSA-N 2 0 335.467 2.398 10 0 EEAERP C[C@@H](CNCc1nc2ccccc2o1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445571381 1091349885 /nfs/dbraw/zinc/34/98/85/1091349885.db2.gz JXSHGKKOUKTBOR-GJZGRUSLSA-N 2 0 344.459 2.297 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nc(C(C)(C)C)cs1)[NH+](C)C ZINC001445574632 1091354181 /nfs/dbraw/zinc/35/41/81/1091354181.db2.gz IMASPUXTJNCJMG-QWHCGFSZSA-N 2 0 340.537 2.375 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001438829704 1091448425 /nfs/dbraw/zinc/44/84/25/1091448425.db2.gz MTZKQDKEJJVBRA-YLJYHZDGSA-N 2 0 345.531 2.474 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001445887853 1091815306 /nfs/dbraw/zinc/81/53/06/1091815306.db2.gz CTUSIFFBDNEVCW-ZBFHGGJFSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001439365609 1092092255 /nfs/dbraw/zinc/09/22/55/1092092255.db2.gz HHQGIZADFQARSS-VYDXJSESSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001439414975 1092183871 /nfs/dbraw/zinc/18/38/71/1092183871.db2.gz CUTFTFITASANSX-SJLPKXTDSA-N 2 0 332.492 2.106 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001439478164 1092278996 /nfs/dbraw/zinc/27/89/96/1092278996.db2.gz UOYVOXUOZGXOAC-PBHICJAKSA-N 2 0 345.422 2.113 10 0 EEAERP C[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1cccc(F)c1 ZINC001439490823 1092314001 /nfs/dbraw/zinc/31/40/01/1092314001.db2.gz FPNRQNQHZPCRAF-KBXCAEBGSA-N 2 0 333.451 2.467 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001439501956 1092336744 /nfs/dbraw/zinc/33/67/44/1092336744.db2.gz XINYPCSSBLKFKP-KRWDZBQOSA-N 2 0 335.879 2.420 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001439627998 1092543204 /nfs/dbraw/zinc/54/32/04/1092543204.db2.gz MCQFOQOZGCLAJD-UHFFFAOYSA-N 2 0 348.516 2.127 10 0 EEAERP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001439693769 1092643959 /nfs/dbraw/zinc/64/39/59/1092643959.db2.gz QYWFHQXNFJYYPY-LJQANCHMSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)n1 ZINC001439856356 1092880614 /nfs/dbraw/zinc/88/06/14/1092880614.db2.gz VDEIBOYEAIEMKH-YWZLYKJASA-N 2 0 344.503 2.121 10 0 EEAERP O=C(NCC1([NH2+]CC2CC2)CCOCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001439957177 1093073132 /nfs/dbraw/zinc/07/31/32/1093073132.db2.gz OXDMTBPPGYEGQF-GOSISDBHSA-N 2 0 349.519 2.058 10 0 EEAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCOCC1 ZINC001439957907 1093074461 /nfs/dbraw/zinc/07/44/61/1093074461.db2.gz UFFMHRVZLGONSK-HZPDHXFCSA-N 2 0 348.491 2.204 10 0 EEAERP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440121027 1093182024 /nfs/dbraw/zinc/18/20/24/1093182024.db2.gz NAHCFVZRIXPHEL-TZCMGQOBSA-N 2 0 329.488 2.478 10 0 EEAERP CC[N@H+](C)CCC(=O)NCc1cccc2c1CC[NH+](C[C@@H](C)OC)C2 ZINC001440261653 1093365230 /nfs/dbraw/zinc/36/52/30/1093365230.db2.gz LKJGWFOVHVTUTM-MRXNPFEDSA-N 2 0 347.503 2.038 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)[NH+]1CCCC1 ZINC001448439770 1093450711 /nfs/dbraw/zinc/45/07/11/1093450711.db2.gz QJNIYSOIUJMCAW-NNZMDNLPSA-N 2 0 333.520 2.345 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001440404373 1093593354 /nfs/dbraw/zinc/59/33/54/1093593354.db2.gz YXDGACFIZCVJKY-LSDHHAIUSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1nsc(C)c1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001440425160 1093623153 /nfs/dbraw/zinc/62/31/53/1093623153.db2.gz FLNGLSHZTYGARQ-INIZCTEOSA-N 2 0 338.521 2.134 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001440466416 1093689403 /nfs/dbraw/zinc/68/94/03/1093689403.db2.gz ABVJZJPYPZRYAV-UHFFFAOYSA-N 2 0 333.451 2.202 10 0 EEAERP COC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001440480169 1093710571 /nfs/dbraw/zinc/71/05/71/1093710571.db2.gz YXBAGZVRJKSCTI-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001440496138 1093735678 /nfs/dbraw/zinc/73/56/78/1093735678.db2.gz LRZWLVUWAKNLLA-AEFFLSMTSA-N 2 0 346.519 2.447 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C)C1CCCC1 ZINC001440500910 1093742451 /nfs/dbraw/zinc/74/24/51/1093742451.db2.gz YNRVCFARQCUDOC-NJAFHUGGSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cn1 ZINC001440520378 1093772558 /nfs/dbraw/zinc/77/25/58/1093772558.db2.gz OBDVJVWORDOJBE-SJORKVTESA-N 2 0 347.507 2.111 10 0 EEAERP C[C@@H](F)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001440538799 1093804227 /nfs/dbraw/zinc/80/42/27/1093804227.db2.gz OQXSUIOZDCLFLT-CRAIPNDOSA-N 2 0 335.467 2.229 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CCc3ccccc3F)CC2)C1 ZINC001440612536 1093878569 /nfs/dbraw/zinc/87/85/69/1093878569.db2.gz FMEHVDNASMQECD-QGZVFWFLSA-N 2 0 347.478 2.291 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](CC)OC)[NH+](C)C ZINC001440722630 1093966890 /nfs/dbraw/zinc/96/68/90/1093966890.db2.gz SIQIYFDPODWACY-JCHJZTRSSA-N 2 0 347.503 2.123 10 0 EEAERP CCc1onc(C)c1C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001449009481 1094009937 /nfs/dbraw/zinc/00/99/37/1094009937.db2.gz JKVFBSWHQJKJQK-IEBWSBKVSA-N 2 0 348.491 2.110 10 0 EEAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001449077121 1094090275 /nfs/dbraw/zinc/09/02/75/1094090275.db2.gz JFMSBLLNTDGCAF-HIFRSBDPSA-N 2 0 349.441 2.353 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001449093072 1094104250 /nfs/dbraw/zinc/10/42/50/1094104250.db2.gz RPTKWPDGXYQHQK-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440881676 1094140093 /nfs/dbraw/zinc/14/00/93/1094140093.db2.gz HBNXVFUHYRBNOL-AWEZNQCLSA-N 2 0 338.521 2.059 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440970688 1094228031 /nfs/dbraw/zinc/22/80/31/1094228031.db2.gz NCBKCJLLCBOSPM-IRXDYDNUSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440998571 1094269740 /nfs/dbraw/zinc/26/97/40/1094269740.db2.gz IUBGFZJLCHXRDH-SJORKVTESA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001441038194 1094332860 /nfs/dbraw/zinc/33/28/60/1094332860.db2.gz POWARZQRNSMZNH-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](Cc1ocnc1C)CC2 ZINC001441155795 1094498781 /nfs/dbraw/zinc/49/87/81/1094498781.db2.gz LAEILOMPBWCYCQ-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441203889 1094565059 /nfs/dbraw/zinc/56/50/59/1094565059.db2.gz JMJZNGBHKBGFBR-SJORKVTESA-N 2 0 329.488 2.273 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]Cc2conc2C)C2CC2)C1 ZINC001441246685 1094636769 /nfs/dbraw/zinc/63/67/69/1094636769.db2.gz LPMAHJJBELMQSH-AEFFLSMTSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441383734 1094928931 /nfs/dbraw/zinc/92/89/31/1094928931.db2.gz IXRKGMPOIXRQKK-KCYZZUKISA-N 2 0 325.472 2.378 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001441543735 1095263201 /nfs/dbraw/zinc/26/32/01/1095263201.db2.gz GJNORWHSUSIJEA-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1cccnc1C[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001441665853 1095636318 /nfs/dbraw/zinc/63/63/18/1095636318.db2.gz YMMQJBBVEZQTAG-ROUUACIJSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001441686398 1095668490 /nfs/dbraw/zinc/66/84/90/1095668490.db2.gz MKNRWEZETOCRIK-GOEBONIOSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC001441830440 1095886939 /nfs/dbraw/zinc/88/69/39/1095886939.db2.gz GUXINUATMUPWPA-ZFWWWQNUSA-N 2 0 339.430 2.384 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001441865962 1095973825 /nfs/dbraw/zinc/97/38/25/1095973825.db2.gz DHVQCQVUJMFSRB-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]32)co1 ZINC001441866848 1095975422 /nfs/dbraw/zinc/97/54/22/1095975422.db2.gz JTEKCNYDIFEXHX-BPQIPLTHSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001441869250 1095980724 /nfs/dbraw/zinc/98/07/24/1095980724.db2.gz KNQCOXZQPNRPJJ-BHIYHBOVSA-N 2 0 344.503 2.058 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001441929052 1096115488 /nfs/dbraw/zinc/11/54/88/1096115488.db2.gz LWGJAHGZFCGYDP-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001442221283 1096516709 /nfs/dbraw/zinc/51/67/09/1096516709.db2.gz VREREENINJUOTE-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001442223227 1096519528 /nfs/dbraw/zinc/51/95/28/1096519528.db2.gz UVYNWPTZCZKYCD-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC001442604439 1096975833 /nfs/dbraw/zinc/97/58/33/1096975833.db2.gz QGZGBARHSGJEHX-UHFFFAOYSA-N 2 0 343.393 2.349 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCc1cccs1 ZINC001442703083 1097073640 /nfs/dbraw/zinc/07/36/40/1097073640.db2.gz MCVSXMNKWQVZHZ-HOTGVXAUSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001443346854 1097869301 /nfs/dbraw/zinc/86/93/01/1097869301.db2.gz XMNMASODOZVSMB-FQEVSTJZSA-N 2 0 343.515 2.414 10 0 EEAERP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccccc1F ZINC001479756865 1098910386 /nfs/dbraw/zinc/91/03/86/1098910386.db2.gz FBJGEAFIPUGBIQ-FUHWJXTLSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCCc1ccsc1 ZINC001479794129 1099004372 /nfs/dbraw/zinc/00/43/72/1099004372.db2.gz UIVJEFPWCZCHFG-UHFFFAOYSA-N 2 0 337.533 2.461 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001479794591 1099006519 /nfs/dbraw/zinc/00/65/19/1099006519.db2.gz PBINVDGPXGQMDY-LJQANCHMSA-N 2 0 347.503 2.241 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCNC(=O)c2ccc(C[NH+](C)C)cc2)on1 ZINC001479802634 1099034240 /nfs/dbraw/zinc/03/42/40/1099034240.db2.gz VCHFZCFKQVLEEN-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001444440858 1099076007 /nfs/dbraw/zinc/07/60/07/1099076007.db2.gz NLHQYPBBPVGXRV-HNAYVOBHSA-N 2 0 346.519 2.415 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cnc(C)o1 ZINC001479843642 1099134831 /nfs/dbraw/zinc/13/48/31/1099134831.db2.gz HYTZEJZEKHNVBC-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ncsc1C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001479866015 1099190757 /nfs/dbraw/zinc/19/07/57/1099190757.db2.gz BMTNYHVFYAYCBW-OAHLLOKOSA-N 2 0 336.505 2.016 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cc(F)cc(F)c2)CCCC1 ZINC001444520188 1099269095 /nfs/dbraw/zinc/26/90/95/1099269095.db2.gz LJVJOMZOKLXVIL-UHFFFAOYSA-N 2 0 339.430 2.435 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cs1 ZINC001480058479 1099577955 /nfs/dbraw/zinc/57/79/55/1099577955.db2.gz DQIKCCFWJRNTFW-WMLDXEAASA-N 2 0 335.517 2.383 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001480065988 1099598747 /nfs/dbraw/zinc/59/87/47/1099598747.db2.gz LTHXJUIXCJHGAR-QZTJIDSGSA-N 2 0 348.466 2.080 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]2C[N@H+](CCF)CC[C@@H]21 ZINC001480190112 1099791004 /nfs/dbraw/zinc/79/10/04/1099791004.db2.gz WSQYCYDSDJWLIP-SJORKVTESA-N 2 0 325.472 2.145 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)c1 ZINC001480238872 1099870819 /nfs/dbraw/zinc/87/08/19/1099870819.db2.gz HFCOLSUZDGBQMM-OTWHNJEPSA-N 2 0 344.503 2.247 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001444912465 1099986697 /nfs/dbraw/zinc/98/66/97/1099986697.db2.gz PPALGHQAQQVQAX-ROUUACIJSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001444941904 1100056462 /nfs/dbraw/zinc/05/64/62/1100056462.db2.gz YFPJRRPSYVCYOH-RBUKOAKNSA-N 2 0 331.504 2.301 10 0 EEAERP Cc1cncc(C[NH+]2CCCC[C@@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001480330090 1100084626 /nfs/dbraw/zinc/08/46/26/1100084626.db2.gz CEDDNYQTKCCOPU-PKOBYXMFSA-N 2 0 344.503 2.203 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001480358973 1100130768 /nfs/dbraw/zinc/13/07/68/1100130768.db2.gz HGBWZLGOSYORFP-GOSISDBHSA-N 2 0 347.503 2.160 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001480547894 1100382370 /nfs/dbraw/zinc/38/23/70/1100382370.db2.gz FOWCPDWNEQGRKQ-HNNXBMFYSA-N 2 0 332.492 2.025 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1Cl ZINC001495109205 1100763957 /nfs/dbraw/zinc/76/39/57/1100763957.db2.gz SSWYQXDFQUQVMH-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001446415623 1100825258 /nfs/dbraw/zinc/82/52/58/1100825258.db2.gz FJUBILQPDTXRGZ-IAGOWNOFSA-N 2 0 332.492 2.199 10 0 EEAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001446475199 1100901424 /nfs/dbraw/zinc/90/14/24/1100901424.db2.gz GZHGNWCPKZFHKB-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)sn1 ZINC001496484473 1101076306 /nfs/dbraw/zinc/07/63/06/1101076306.db2.gz XAWNCMBRVCVDRF-CJNGLKHVSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001495374267 1101089918 /nfs/dbraw/zinc/08/99/18/1101089918.db2.gz OIYSXDDTMHCWHQ-IRXDYDNUSA-N 2 0 327.488 2.296 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001446597486 1101091102 /nfs/dbraw/zinc/09/11/02/1101091102.db2.gz IKZHONMSXFRAQP-OXJNMPFZSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495432440 1101150269 /nfs/dbraw/zinc/15/02/69/1101150269.db2.gz IXGGRVNVJFTJTA-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cnoc1C)C(C)C ZINC001496566282 1101167404 /nfs/dbraw/zinc/16/74/04/1101167404.db2.gz JUYYSOIYSOHQNO-DLBZAZTESA-N 2 0 336.480 2.088 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001496575326 1101175014 /nfs/dbraw/zinc/17/50/14/1101175014.db2.gz PPALGHQAQQVQAX-QZTJIDSGSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001495482103 1101191720 /nfs/dbraw/zinc/19/17/20/1101191720.db2.gz OZZODPUSGBOVDD-WKILWMFISA-N 2 0 336.455 2.078 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cncs1 ZINC001496638500 1101243772 /nfs/dbraw/zinc/24/37/72/1101243772.db2.gz FNTBZGJKRSYXLN-MRXNPFEDSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1c(C(=O)NCC2([NH2+]CC(C)C)CCOCC2)ccc2c[nH+]cn21 ZINC001446708047 1101274891 /nfs/dbraw/zinc/27/48/91/1101274891.db2.gz CBNUGKVAQILHNO-UHFFFAOYSA-N 2 0 344.459 2.167 10 0 EEAERP CCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCOCC1 ZINC001446716520 1101284966 /nfs/dbraw/zinc/28/49/66/1101284966.db2.gz IDHTYOQTZPAXHZ-UHFFFAOYSA-N 2 0 339.524 2.304 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CCc2ccccc2)CC[N@@H+]1C ZINC001496708277 1101311427 /nfs/dbraw/zinc/31/14/27/1101311427.db2.gz XWWTTWHBWREAMF-RBUKOAKNSA-N 2 0 331.504 2.350 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1cccc(Cl)n1 ZINC001495685899 1101434643 /nfs/dbraw/zinc/43/46/43/1101434643.db2.gz XVMZFTSQIFVRTK-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP COc1cc(C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)ccc1Cl ZINC001496776943 1101447340 /nfs/dbraw/zinc/44/73/40/1101447340.db2.gz JJRCUMNOMRRTQG-UHFFFAOYSA-N 2 0 341.883 2.191 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001495807803 1101624211 /nfs/dbraw/zinc/62/42/11/1101624211.db2.gz GDMCWDGDQZSZDR-CABCVRRESA-N 2 0 331.451 2.250 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2conc2C)CCCC1 ZINC001495918571 1101762617 /nfs/dbraw/zinc/76/26/17/1101762617.db2.gz NBSBRLIOLZEYQL-QGZVFWFLSA-N 2 0 348.491 2.376 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496060048 1101994340 /nfs/dbraw/zinc/99/43/40/1101994340.db2.gz DHPXYZORPLXDQZ-RCCFBDPRSA-N 2 0 347.503 2.151 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001497253514 1102196597 /nfs/dbraw/zinc/19/65/97/1102196597.db2.gz FLLMBCPPQYLJCS-YDHLFZDLSA-N 2 0 338.521 2.166 10 0 EEAERP CO[C@H](C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001497261759 1102213692 /nfs/dbraw/zinc/21/36/92/1102213692.db2.gz FWWUWLXSGDTGDH-MAUKXSAKSA-N 2 0 339.524 2.018 10 0 EEAERP CCCc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001497309206 1102293861 /nfs/dbraw/zinc/29/38/61/1102293861.db2.gz XPBUYYIAVBDFLR-CQSZACIVSA-N 2 0 348.491 2.016 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cncc(F)c3)CC2)CCC1 ZINC001447308185 1102419068 /nfs/dbraw/zinc/41/90/68/1102419068.db2.gz OTFYGAIGIBLXKD-KRWDZBQOSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)s1 ZINC001497577123 1102690058 /nfs/dbraw/zinc/69/00/58/1102690058.db2.gz AGIGWCQJIBHQJT-AWFCHZOYSA-N 2 0 336.505 2.086 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cncs1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497600186 1102728430 /nfs/dbraw/zinc/72/84/30/1102728430.db2.gz ZGYOZUYXYGFIAZ-CWIOURORSA-N 2 0 348.516 2.312 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001447542892 1102825667 /nfs/dbraw/zinc/82/56/67/1102825667.db2.gz RWXDVTNCIKLUNU-GOEBONIOSA-N 2 0 344.459 2.106 10 0 EEAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001447544145 1102828528 /nfs/dbraw/zinc/82/85/28/1102828528.db2.gz BDDMEAHUWOBGAT-HOCLYGCPSA-N 2 0 325.472 2.047 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001497690859 1102911687 /nfs/dbraw/zinc/91/16/87/1102911687.db2.gz IIXFDBRHSPUSJJ-MJRGOJFPSA-N 2 0 348.491 2.316 10 0 EEAERP Cc1nc(CNC/C=C\CNC(=O)C[C@H](C)n2ccnc2)sc1C ZINC001497694754 1102918286 /nfs/dbraw/zinc/91/82/86/1102918286.db2.gz WEFMXZDKWGWVRR-ZFDPJTLLSA-N 2 0 347.488 2.370 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC(F)(F)F)CC1(C)C ZINC001447586780 1102925493 /nfs/dbraw/zinc/92/54/93/1102925493.db2.gz IAPZBOBCDJXEPE-CYBMUJFWSA-N 2 0 337.430 2.496 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cncc(F)c2)C1 ZINC001497733533 1102983731 /nfs/dbraw/zinc/98/37/31/1102983731.db2.gz YPJYUKJKFCDVNY-CMDLKFMISA-N 2 0 348.466 2.103 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497962467 1103423058 /nfs/dbraw/zinc/42/30/58/1103423058.db2.gz IDRKCJDSUJELSG-SJORKVTESA-N 2 0 331.504 2.228 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001447863110 1103470110 /nfs/dbraw/zinc/47/01/10/1103470110.db2.gz YUMHYEUHTADHQM-GHMZBOCLSA-N 2 0 335.477 2.099 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001447922923 1103607792 /nfs/dbraw/zinc/60/77/92/1103607792.db2.gz CZZCMKUARRXACV-HWEGEYNCSA-N 2 0 327.900 2.344 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494280273 1103804303 /nfs/dbraw/zinc/80/43/03/1103804303.db2.gz IJKAQOZUQOOSSL-QGZVFWFLSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2ncccc2C)C1 ZINC001448075473 1103945687 /nfs/dbraw/zinc/94/56/87/1103945687.db2.gz AZLIVGIOJCOONG-ROUUACIJSA-N 2 0 346.519 2.449 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001494731957 1104312806 /nfs/dbraw/zinc/31/28/06/1104312806.db2.gz BSJFOXWUFGMFNE-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1nocc1CN1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001494861260 1104464960 /nfs/dbraw/zinc/46/49/60/1104464960.db2.gz ATCAWDCGNYCZPV-MRXNPFEDSA-N 2 0 336.480 2.002 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001480647359 1106814476 /nfs/dbraw/zinc/81/44/76/1106814476.db2.gz ZSMRBXWHHFEUMU-PKOBYXMFSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498062223 1106867717 /nfs/dbraw/zinc/86/77/17/1106867717.db2.gz CRCYAUOOAVSVDV-HOTGVXAUSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001498189261 1107050160 /nfs/dbraw/zinc/05/01/60/1107050160.db2.gz DFBVXYBNHQYMOA-HNNXBMFYSA-N 2 0 336.455 2.081 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(Cl)s1 ZINC001480773282 1107091424 /nfs/dbraw/zinc/09/14/24/1107091424.db2.gz XWRPIJYOVRDMGW-VXGBXAGGSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC001480825139 1107199831 /nfs/dbraw/zinc/19/98/31/1107199831.db2.gz ZGEDQZWXQWFNBW-BHIYHBOVSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ccc(OCCC[N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)cc1C ZINC001480849261 1107259244 /nfs/dbraw/zinc/25/92/44/1107259244.db2.gz SKQLGRGHKLNHJU-IBGZPJMESA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)n1 ZINC001498621824 1107829043 /nfs/dbraw/zinc/82/90/43/1107829043.db2.gz QDEMJNXLYJMSEK-UHFFFAOYSA-N 2 0 349.523 2.134 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498642318 1107875345 /nfs/dbraw/zinc/87/53/45/1107875345.db2.gz XWTZYPJPZULFPF-KRWDZBQOSA-N 2 0 349.523 2.052 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001498657447 1107909173 /nfs/dbraw/zinc/90/91/73/1107909173.db2.gz JJIXQTMLFPRUAN-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493664699 1108475843 /nfs/dbraw/zinc/47/58/43/1108475843.db2.gz PENSCZLOMPCDSR-PXNSSMCTSA-N 2 0 343.515 2.324 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)Cn2ccnc2C)c1 ZINC001493794612 1108674549 /nfs/dbraw/zinc/67/45/49/1108674549.db2.gz YDGAHSNQSQAZNV-AWEZNQCLSA-N 2 0 330.432 2.009 10 0 EEAERP COCc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001493803443 1108684151 /nfs/dbraw/zinc/68/41/51/1108684151.db2.gz NXWGMGJBYNDMKJ-IRXDYDNUSA-N 2 0 347.503 2.254 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]Cc2cncs2)CC1 ZINC001493842049 1108726808 /nfs/dbraw/zinc/72/68/08/1108726808.db2.gz ARRAGQKZZLQXEF-AWEZNQCLSA-N 2 0 338.521 2.202 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1)C(=O)CC[NH+](C)C ZINC001479245238 1110667092 /nfs/dbraw/zinc/66/70/92/1110667092.db2.gz ZFDGDWJSNNPPSW-QGZVFWFLSA-N 2 0 328.460 2.152 10 0 EEAERP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1CC[NH+]1C ZINC001479396572 1110690859 /nfs/dbraw/zinc/69/08/59/1110690859.db2.gz OFSUWBXFIPAPMN-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCc3ccccc3Cl)CC2)C1 ZINC001499421135 1112278446 /nfs/dbraw/zinc/27/84/46/1112278446.db2.gz LOJRDIYVKYKAAT-HNNXBMFYSA-N 2 0 349.906 2.463 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001499447898 1112291388 /nfs/dbraw/zinc/29/13/88/1112291388.db2.gz AMQNPMVXNNQTTJ-RHSMWYFYSA-N 2 0 331.435 2.003 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001499525507 1112340373 /nfs/dbraw/zinc/34/03/73/1112340373.db2.gz DEQOLQWVDODWPN-GOSISDBHSA-N 2 0 337.483 2.001 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001499538561 1112352748 /nfs/dbraw/zinc/35/27/48/1112352748.db2.gz FPBNAGUJMZLNLB-LJQANCHMSA-N 2 0 347.503 2.249 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](Cc2cccnc2)C1 ZINC001500553316 1112942939 /nfs/dbraw/zinc/94/29/39/1112942939.db2.gz WELFUYGXFPFOPY-LJQANCHMSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cnc(C)s2)C1 ZINC001501083206 1113192676 /nfs/dbraw/zinc/19/26/76/1113192676.db2.gz FPUUDNHGBOGEBZ-UKRRQHHQSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001501122989 1113207070 /nfs/dbraw/zinc/20/70/70/1113207070.db2.gz TYZKUCMSKPSNDH-YFWHOBGESA-N 2 0 339.911 2.299 10 0 EEAERP CN(CCC[N@H+](C)CCCCC(F)(F)F)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001502397088 1113664642 /nfs/dbraw/zinc/66/46/42/1113664642.db2.gz PXKKKDQWJOEAEV-CQSZACIVSA-N 2 0 337.430 2.451 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(CN2CCCC2)on1 ZINC001505446902 1113981238 /nfs/dbraw/zinc/98/12/38/1113981238.db2.gz 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ZINC001507147372 1115133138 /nfs/dbraw/zinc/13/31/38/1115133138.db2.gz LKVLHNOQLXOXHA-PXNSSMCTSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001507152231 1115135952 /nfs/dbraw/zinc/13/59/52/1115135952.db2.gz ACLXPDNPLLLNME-CVEARBPZSA-N 2 0 332.492 2.093 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001507293819 1115177917 /nfs/dbraw/zinc/17/79/17/1115177917.db2.gz VVQDRKVUGNVHQR-SJLPKXTDSA-N 2 0 349.523 2.275 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507326982 1115194207 /nfs/dbraw/zinc/19/42/07/1115194207.db2.gz OFBKODRRBYFSRB-IAGOWNOFSA-N 2 0 341.540 2.216 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C)[NH+](C)C ZINC001507963546 1115381405 /nfs/dbraw/zinc/38/14/05/1115381405.db2.gz MIRAJGLJOBBLBO-KURKYZTESA-N 2 0 349.519 2.181 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C(C)(C)C ZINC001508034154 1115396441 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NRHFGLIVILWDHZ-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001568318453 1124418358 /nfs/dbraw/zinc/41/83/58/1124418358.db2.gz AUHRWYIBCNFTCR-GOSISDBHSA-N 2 0 331.504 2.460 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CCCCC(F)(F)F)C1 ZINC001568496255 1124554248 /nfs/dbraw/zinc/55/42/48/1124554248.db2.gz NRNADWBDWRWAEV-AWEZNQCLSA-N 2 0 337.430 2.451 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568642787 1124654961 /nfs/dbraw/zinc/65/49/61/1124654961.db2.gz UAVCULCMFWCQEP-MAUKXSAKSA-N 2 0 332.492 2.249 10 0 EEAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001568756652 1124771390 /nfs/dbraw/zinc/77/13/90/1124771390.db2.gz ZVDLLRUBPDBVRE-UHFFFAOYSA-N 2 0 337.427 2.290 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001568898088 1124926277 /nfs/dbraw/zinc/92/62/77/1124926277.db2.gz IJWJXGVBSGBNJL-CDDIUSEKSA-N 2 0 341.499 2.463 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001568951218 1124984985 /nfs/dbraw/zinc/98/49/85/1124984985.db2.gz NLPJQGUUZLUXBO-MPNWYJEXSA-N 2 0 331.435 2.245 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001568958074 1124994910 /nfs/dbraw/zinc/99/49/10/1124994910.db2.gz IXSUARAMYWGVGB-NUALSEBGSA-N 2 0 327.472 2.243 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001569209352 1125165654 /nfs/dbraw/zinc/16/56/54/1125165654.db2.gz BNXFTSFAYVRZQL-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]C[C@H]2CC[C@@H](C)O2)ccc2c[nH+]cn21 ZINC001569217506 1125172867 /nfs/dbraw/zinc/17/28/67/1125172867.db2.gz OGTMNKPOYBIBCI-RHSMWYFYSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2cscn2)CC1 ZINC001569254430 1125197233 /nfs/dbraw/zinc/19/72/33/1125197233.db2.gz RLSWMTSOVDPDPB-UHFFFAOYSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001569258325 1125200532 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345.531 2.296 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422950288 240305038 /nfs/dbraw/zinc/30/50/38/240305038.db2.gz VRNQGJAWNPMKAU-HNNXBMFYSA-N 2 0 328.460 2.205 10 0 EEAERP C[C@@H]1C[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838493 240255484 /nfs/dbraw/zinc/25/54/84/240255484.db2.gz OOFXZIIXGORMDB-RZXSNQJFSA-N 2 0 343.515 2.396 10 0 EEAERP [NH3+]CC1CCC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000423187986 240399728 /nfs/dbraw/zinc/39/97/28/240399728.db2.gz PRQNQAADTNVESV-UHFFFAOYSA-N 3 0 331.504 2.121 10 0 EEAERP Brc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000423201550 240403597 /nfs/dbraw/zinc/40/35/97/240403597.db2.gz IVTPAVFRUBDAKL-INIZCTEOSA-N 2 0 338.293 2.395 10 0 EEAERP CCCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1Br ZINC000020967476 212193130 /nfs/dbraw/zinc/19/31/30/212193130.db2.gz KCIIRABZGKTFJL-UHFFFAOYSA-N 2 0 345.281 2.300 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCCCCC1 ZINC000465634291 245353040 /nfs/dbraw/zinc/35/30/40/245353040.db2.gz PXZFQUGRSLFOSB-QGZVFWFLSA-N 2 0 334.508 2.297 10 0 EEAERP CSCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120276223 142382700 /nfs/dbraw/zinc/38/27/00/142382700.db2.gz NUBAUHOCNFFLMM-UHFFFAOYSA-N 2 0 327.538 2.054 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119023161 292240228 /nfs/dbraw/zinc/24/02/28/292240228.db2.gz UWRKLIZTXIQKPE-OPQOLIRYSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000107836642 159337071 /nfs/dbraw/zinc/33/70/71/159337071.db2.gz HPYRCWYXGSNWOS-QZTJIDSGSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000186359331 160068170 /nfs/dbraw/zinc/06/81/70/160068170.db2.gz HFARXNVJEMDSGZ-QGZVFWFLSA-N 2 0 345.491 2.035 10 0 EEAERP CN(C)c1noc(C2CC[NH+](Cc3cccc4nccn43)CC2)n1 ZINC000191908903 160163920 /nfs/dbraw/zinc/16/39/20/160163920.db2.gz MLSBCNSKVSXTDD-UHFFFAOYSA-N 2 0 326.404 2.163 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247599784 160329708 /nfs/dbraw/zinc/32/97/08/160329708.db2.gz UERNBVIXGYBOFE-DLBZAZTESA-N 2 0 346.475 2.296 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1C[NH+](C3CC3)C[C@H]1C)CC2 ZINC000342336164 161057218 /nfs/dbraw/zinc/05/72/18/161057218.db2.gz IHOKEUWQVCCOQZ-BGTYHANMSA-N 2 0 334.508 2.126 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H]1C ZINC000346405879 161369707 /nfs/dbraw/zinc/36/97/07/161369707.db2.gz YHRUHEFXJASNET-ZIFCJYIRSA-N 2 0 346.519 2.283 10 0 EEAERP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346520349 161378991 /nfs/dbraw/zinc/37/89/91/161378991.db2.gz BKQCUYHEPDYWQG-DLBZAZTESA-N 2 0 339.549 2.383 10 0 EEAERP Cc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cn2c1 ZINC000171631206 227186289 /nfs/dbraw/zinc/18/62/89/227186289.db2.gz ILVGSCAWCQFFPN-MRXNPFEDSA-N 2 0 330.476 2.167 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353441163 277169424 /nfs/dbraw/zinc/16/94/24/277169424.db2.gz AIUTWKOIGDDURU-ULQDDVLXSA-N 2 0 331.460 2.347 10 0 EEAERP CO[C@H](Cc1ccccc1)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000297386496 294230344 /nfs/dbraw/zinc/23/03/44/294230344.db2.gz DUMIFMWDSCIDNC-LEWJYISDSA-N 2 0 345.531 2.346 10 0 EEAERP COCCN(C)c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000297477265 294254459 /nfs/dbraw/zinc/25/44/59/294254459.db2.gz JKAILYDIUKLJOC-UHFFFAOYSA-N 2 0 325.416 2.102 10 0 EEAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1[NH3+] ZINC000333133980 312098313 /nfs/dbraw/zinc/09/83/13/312098313.db2.gz CBUWZATZQRKEOY-IPFAQRCESA-N 2 0 342.487 2.171 10 0 EEAERP COCC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH2+]CC1 ZINC000414970846 313117803 /nfs/dbraw/zinc/11/78/03/313117803.db2.gz HZFQWBIZCNIUHU-UHFFFAOYSA-N 2 0 332.473 2.311 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416785425 313315979 /nfs/dbraw/zinc/31/59/79/313315979.db2.gz KWPPMQRBRZFTAZ-GBESFXJTSA-N 2 0 342.487 2.217 10 0 EEAERP COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000416816422 313323810 /nfs/dbraw/zinc/32/38/10/313323810.db2.gz PBNSZFPYQOCJGU-MPGHIAIKSA-N 2 0 348.491 2.257 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000416845933 313334213 /nfs/dbraw/zinc/33/42/13/313334213.db2.gz SMFVYQFFCPTSME-WBAXXEDZSA-N 2 0 332.492 2.149 10 0 EEAERP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416874333 313343971 /nfs/dbraw/zinc/34/39/71/313343971.db2.gz PMTIAFKGXUHFOU-ZWKOTPCHSA-N 2 0 330.476 2.209 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416886967 313349791 /nfs/dbraw/zinc/34/97/91/313349791.db2.gz HKJRSHIBESRPMZ-OALUTQOASA-N 2 0 344.503 2.422 10 0 EEAERP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416906794 313356871 /nfs/dbraw/zinc/35/68/71/313356871.db2.gz SOEYXMZCLWZNPO-SFHVURJKSA-N 2 0 332.492 2.455 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCC[NH3+])cc2)C1 ZINC000416986857 313384138 /nfs/dbraw/zinc/38/41/38/313384138.db2.gz JKIHAOSMUOFQKN-IYBDPMFKSA-N 2 0 332.492 2.313 10 0 EEAERP [NH3+]Cc1cc(NC(=O)COC2CCC([NH3+])CC2)cc(C(F)(F)F)c1 ZINC000417840105 313614205 /nfs/dbraw/zinc/61/42/05/313614205.db2.gz ZHLFIQALUCIJHT-UHFFFAOYSA-N 2 0 345.365 2.389 10 0 EEAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418699555 313884256 /nfs/dbraw/zinc/88/42/56/313884256.db2.gz NYPTVNWSFSDJPI-UONOGXRCSA-N 2 0 326.510 2.337 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOCCOc1ccccc1 ZINC000441245988 315176132 /nfs/dbraw/zinc/17/61/32/315176132.db2.gz GOBGBVKKHUYNIS-YZGWKJHDSA-N 2 0 348.487 2.266 10 0 EEAERP Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)c(OCC[NH+](C)C)c1 ZINC000517572818 316676330 /nfs/dbraw/zinc/67/63/30/316676330.db2.gz ROGGPHYRVASFHZ-UHFFFAOYSA-N 2 0 349.475 2.160 10 0 EEAERP O=C1CCCCN1C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351564 319277609 /nfs/dbraw/zinc/27/76/09/319277609.db2.gz PNBFFGNJXZDNFG-UHFFFAOYSA-N 2 0 327.472 2.309 10 0 EEAERP C[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000575805513 320115648 /nfs/dbraw/zinc/11/56/48/320115648.db2.gz NKWSIHKKJPPZIB-MRXNPFEDSA-N 2 0 329.488 2.300 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC000576648281 320191996 /nfs/dbraw/zinc/19/19/96/320191996.db2.gz YWPQCYLPYBYTAN-MJGOQNOKSA-N 2 0 344.503 2.236 10 0 EEAERP Cc1ncncc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000577865550 320281107 /nfs/dbraw/zinc/28/11/07/320281107.db2.gz FHJGNCMUFGHDSO-MRXNPFEDSA-N 2 0 331.508 2.386 10 0 EEAERP O[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)CN1CCc2ccccc2C1 ZINC000581186403 324202656 /nfs/dbraw/zinc/20/26/56/324202656.db2.gz MOENEMNHPRBKPX-VQTJNVASSA-N 2 0 344.499 2.487 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000341468619 465183664 /nfs/dbraw/zinc/18/36/64/465183664.db2.gz UWCOHTSFXXOOBO-KZNAEPCWSA-N 2 0 334.508 2.273 10 0 EEAERP COc1cccc(OCC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000152660632 462566336 /nfs/dbraw/zinc/56/63/36/462566336.db2.gz XAVHSDVGAKWNBF-INIZCTEOSA-N 2 0 336.476 2.099 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128770971 462669764 /nfs/dbraw/zinc/66/97/64/462669764.db2.gz OVTJJYZYDXXIML-HFTRVMKXSA-N 2 0 330.476 2.214 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000155292323 462871464 /nfs/dbraw/zinc/87/14/64/462871464.db2.gz HDNSBJHPHSNAFQ-ICSRJNTNSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068079572 463088095 /nfs/dbraw/zinc/08/80/95/463088095.db2.gz YGBQMRGRFLRHTJ-GOSISDBHSA-N 2 0 329.488 2.451 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[NH+](CC)CC2)CC1 ZINC000157422133 463130418 /nfs/dbraw/zinc/13/04/18/463130418.db2.gz HLLHFCYTJRKVIW-UHFFFAOYSA-N 2 0 330.520 2.356 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000579333083 468343177 /nfs/dbraw/zinc/34/31/77/468343177.db2.gz OFBAPQYJFMCPNH-JENIJYKNSA-N 2 0 330.476 2.121 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071857298 463443711 /nfs/dbraw/zinc/44/37/11/463443711.db2.gz HPJYOGXRMXEUTN-LMMKCTJWSA-N 2 0 344.503 2.415 10 0 EEAERP CCCN(CC[NH+](C)C)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073427055 463611625 /nfs/dbraw/zinc/61/16/25/463611625.db2.gz ABPXHWUCDONDBK-UHFFFAOYSA-N 2 0 332.492 2.407 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000194131494 463796353 /nfs/dbraw/zinc/79/63/53/463796353.db2.gz BJTHKXCTLIQHQM-IRXDYDNUSA-N 2 0 336.455 2.212 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000171673575 463903725 /nfs/dbraw/zinc/90/37/25/463903725.db2.gz UYYPBDMTLHXRDF-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000279199379 464060172 /nfs/dbraw/zinc/06/01/72/464060172.db2.gz KSEVMYFERXVWRF-IRXDYDNUSA-N 2 0 344.503 2.497 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179121366 464060787 /nfs/dbraw/zinc/06/07/87/464060787.db2.gz NXFZRCKYFNNZNR-RBUKOAKNSA-N 2 0 344.503 2.463 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000568812475 468389168 /nfs/dbraw/zinc/38/91/68/468389168.db2.gz QEJRFIJUMUJNSP-SZMVWBNQSA-N 2 0 332.492 2.460 10 0 EEAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263902973 464233475 /nfs/dbraw/zinc/23/34/75/464233475.db2.gz FBVLRDPXMUGEQP-OALUTQOASA-N 2 0 329.488 2.451 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284588825 464253616 /nfs/dbraw/zinc/25/36/16/464253616.db2.gz ZOPKLEMMNTXQCQ-XAMWDVODSA-N 2 0 331.504 2.413 10 0 EEAERP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)cc1F ZINC000237292578 464298432 /nfs/dbraw/zinc/29/84/32/464298432.db2.gz OWTKMICERCIWAT-NVXWUHKLSA-N 2 0 349.450 2.042 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000180908233 464417721 /nfs/dbraw/zinc/41/77/21/464417721.db2.gz DZXJGYMQATYANP-UHFFFAOYSA-N 2 0 347.507 2.244 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000175109654 464491635 /nfs/dbraw/zinc/49/16/35/464491635.db2.gz WOTAJTCJYJPLJL-LJQANCHMSA-N 2 0 344.503 2.043 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245634059 464500098 /nfs/dbraw/zinc/50/00/98/464500098.db2.gz IVOSDGAPYGIEKB-SZMVWBNQSA-N 2 0 332.492 2.461 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000246424752 464583833 /nfs/dbraw/zinc/58/38/33/464583833.db2.gz MDLVRZBBGIIRCL-BZSNNMDCSA-N 2 0 338.540 2.479 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246455294 464586790 /nfs/dbraw/zinc/58/67/90/464586790.db2.gz OUHTXYLBXSBXHY-XSLAGTTESA-N 2 0 338.540 2.479 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272443221 464611052 /nfs/dbraw/zinc/61/10/52/464611052.db2.gz UIYSWVHSHZGSLU-OWZKRDHZSA-N 3 0 343.515 2.228 10 0 EEAERP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1CCO ZINC000190244482 464613064 /nfs/dbraw/zinc/61/30/64/464613064.db2.gz AVEABWCNMTUJJG-GOSISDBHSA-N 2 0 333.520 2.143 10 0 EEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000190475329 464654113 /nfs/dbraw/zinc/65/41/13/464654113.db2.gz WTXFIYUJLSRZSE-SFHVURJKSA-N 2 0 338.455 2.134 10 0 EEAERP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000247491223 464685217 /nfs/dbraw/zinc/68/52/17/464685217.db2.gz LTDSWVYTWRTKIR-ROUUACIJSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579814574 468417102 /nfs/dbraw/zinc/41/71/02/468417102.db2.gz UNYOZBKVSDDECH-PKOBYXMFSA-N 2 0 336.524 2.426 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000250427389 464928669 /nfs/dbraw/zinc/92/86/69/464928669.db2.gz GPPUDTJYTXHPSC-BBWFWOEESA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H]1CN(c2ccccc2C[NH2+]CCCC[NH+]2CCOCC2)CCO1 ZINC000298789417 465506054 /nfs/dbraw/zinc/50/60/54/465506054.db2.gz QMCURIZPWUROCT-SFHVURJKSA-N 2 0 347.503 2.114 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339861673 465556585 /nfs/dbraw/zinc/55/65/85/465556585.db2.gz NWUCVLUJYSTPRT-FHWLQOOXSA-N 2 0 344.503 2.085 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000353466063 465905087 /nfs/dbraw/zinc/90/50/87/465905087.db2.gz YATHZOAOOVZKFJ-XMTFNYHQSA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353465834 465905338 /nfs/dbraw/zinc/90/53/38/465905338.db2.gz ZNJGFPUQYKIWEK-BZSNNMDCSA-N 2 0 331.460 2.347 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000346229544 466010621 /nfs/dbraw/zinc/01/06/21/466010621.db2.gz VOAMPITVNIVUGI-UHFFFAOYSA-N 3 0 343.475 2.118 10 0 EEAERP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349788692 466241816 /nfs/dbraw/zinc/24/18/16/466241816.db2.gz ZKAOODSZDIGULF-RBUKOAKNSA-N 2 0 344.503 2.037 10 0 EEAERP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349799432 466245918 /nfs/dbraw/zinc/24/59/18/466245918.db2.gz IUIALSKICGNENK-DLBZAZTESA-N 2 0 346.475 2.295 10 0 EEAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310275191 466508515 /nfs/dbraw/zinc/50/85/15/466508515.db2.gz UQCSMYHOOROLDX-SFHVURJKSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000368428987 466633361 /nfs/dbraw/zinc/63/33/61/466633361.db2.gz KFXUJLVUYSTMKI-MFWIUYSUSA-N 2 0 345.487 2.287 10 0 EEAERP C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2CC[NH3+])cc1 ZINC000324695322 466649075 /nfs/dbraw/zinc/64/90/75/466649075.db2.gz RWXYQOCOZUXZOU-UHFFFAOYSA-N 2 0 327.428 2.381 10 0 EEAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000325579243 466660156 /nfs/dbraw/zinc/66/01/56/466660156.db2.gz OYQFWCWLVZFPMV-LJQANCHMSA-N 2 0 327.472 2.208 10 0 EEAERP C[NH+]1CCC(CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416142068 466723609 /nfs/dbraw/zinc/72/36/09/466723609.db2.gz BMLYQVLRDIEHOG-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423406343 466741787 /nfs/dbraw/zinc/74/17/87/466741787.db2.gz URISQXWHHSCAGR-QGTPRVQTSA-N 2 0 329.448 2.006 10 0 EEAERP COC[C@]1(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423414405 466744686 /nfs/dbraw/zinc/74/46/86/466744686.db2.gz MTTBTEYQMWNXHV-GHTZIAJQSA-N 2 0 345.531 2.440 10 0 EEAERP C1C[C@@H]([C@@H]2CCC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)CO1 ZINC000423505776 466760121 /nfs/dbraw/zinc/76/01/21/466760121.db2.gz HREINGKKVRBDNT-JAMPWESASA-N 2 0 335.536 2.388 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417109612 466782753 /nfs/dbraw/zinc/78/27/53/466782753.db2.gz KRIZFEGEFMBWIR-MJGOQNOKSA-N 2 0 342.487 2.187 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417221118 466807181 /nfs/dbraw/zinc/80/71/81/466807181.db2.gz NHRCFZPVDCDJKQ-TWMKSMIVSA-N 2 0 336.524 2.136 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417243656 466813729 /nfs/dbraw/zinc/81/37/29/466813729.db2.gz WIWIDWBSKUPWJO-APWZRJJASA-N 2 0 336.524 2.282 10 0 EEAERP CSc1ccc(OC[C@H](O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000411760584 466894701 /nfs/dbraw/zinc/89/47/01/466894701.db2.gz SMPPXPBIHROWLF-CRAIPNDOSA-N 2 0 336.501 2.176 10 0 EEAERP C[C@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000417664747 466904084 /nfs/dbraw/zinc/90/40/84/466904084.db2.gz XGQVYKSQAPGACU-XJKSGUPXSA-N 2 0 336.455 2.014 10 0 EEAERP c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374107884 467002194 /nfs/dbraw/zinc/00/21/94/467002194.db2.gz MBGDPXNNPMRSTF-FGYAAKKASA-N 2 0 328.456 2.413 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000418009760 467021742 /nfs/dbraw/zinc/02/17/42/467021742.db2.gz FTQCIMUWYYFLDB-ZWKOTPCHSA-N 2 0 334.508 2.202 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000377104658 467029263 /nfs/dbraw/zinc/02/92/63/467029263.db2.gz KSDXXIWPZWHFQR-HOTGVXAUSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000418584992 467132494 /nfs/dbraw/zinc/13/24/94/467132494.db2.gz YAEYMWDNUBSBNM-ZIFCJYIRSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000418604147 467134110 /nfs/dbraw/zinc/13/41/10/467134110.db2.gz XFELAZSIVRJDHM-FUHWJXTLSA-N 2 0 344.503 2.290 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000428382756 467227283 /nfs/dbraw/zinc/22/72/83/467227283.db2.gz KEQCACSDAWLKPR-IBGZPJMESA-N 2 0 329.488 2.175 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccccc1C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488734291 468100104 /nfs/dbraw/zinc/10/01/04/468100104.db2.gz NANWLBKPWBTISO-OBMJPTGESA-N 2 0 332.488 2.092 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000569578017 468513422 /nfs/dbraw/zinc/51/34/22/468513422.db2.gz GDWFQMXTFFIQFA-OLMNPRSZSA-N 2 0 330.476 2.475 10 0 EEAERP NCC(F)(F)CC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000570221820 468605806 /nfs/dbraw/zinc/60/58/06/468605806.db2.gz GQBFDVMOZRAJMU-NSHDSACASA-N 2 0 347.356 2.030 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000570265588 468612553 /nfs/dbraw/zinc/61/25/53/468612553.db2.gz XAROCOLRJCIYJJ-JCGIZDLHSA-N 2 0 330.476 2.332 10 0 EEAERP [NH3+]C1CCC(OCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000583561895 468716602 /nfs/dbraw/zinc/71/66/02/468716602.db2.gz SKDVCIBVSKZFTD-XBMUEBEBSA-N 2 0 345.487 2.054 10 0 EEAERP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000571073352 468736645 /nfs/dbraw/zinc/73/66/45/468736645.db2.gz XCDVVESFOFJTIY-CQSZACIVSA-N 2 0 329.469 2.498 10 0 EEAERP COC(=O)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000595667244 468945833 /nfs/dbraw/zinc/94/58/33/468945833.db2.gz FHCHVXDKYFIMJU-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP CSC1(CNC(=O)NCCC[N@H+](C)CC(C)C)CC[NH+](C)CC1 ZINC000593408679 468966635 /nfs/dbraw/zinc/96/66/35/468966635.db2.gz RPIJZTFGQFMKTC-UHFFFAOYSA-N 2 0 344.569 2.091 10 0 EEAERP COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611255642 469212143 /nfs/dbraw/zinc/21/21/43/469212143.db2.gz SCMRZIDZINNJRS-KRWDZBQOSA-N 2 0 332.444 2.156 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[NH2+]1 ZINC000625859442 469413645 /nfs/dbraw/zinc/41/36/45/469413645.db2.gz PVCHNUAVMIMJKF-HOCLYGCPSA-N 2 0 334.464 2.279 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000604789369 469512977 /nfs/dbraw/zinc/51/29/77/469512977.db2.gz YPEGJEJLBGOHAU-SJLPKXTDSA-N 2 0 333.451 2.248 10 0 EEAERP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000629387643 469528726 /nfs/dbraw/zinc/52/87/26/469528726.db2.gz KKVMTCKOUOKHCL-OAHLLOKOSA-N 2 0 339.277 2.404 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1(C)C ZINC000623430538 469655477 /nfs/dbraw/zinc/65/54/77/469655477.db2.gz WNZRPRJKUJVFCI-DLBZAZTESA-N 2 0 345.487 2.129 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000626924902 469756703 /nfs/dbraw/zinc/75/67/03/469756703.db2.gz FZCZOJOEHAVEAD-MAUKXSAKSA-N 2 0 330.476 2.222 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000626933751 469760682 /nfs/dbraw/zinc/76/06/82/469760682.db2.gz YUPTZBROXUECQS-YJBOKZPZSA-N 2 0 332.492 2.468 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCCC1 ZINC000626935199 469761432 /nfs/dbraw/zinc/76/14/32/469761432.db2.gz ZUBZBUOKPKXRKN-QRQLOZEOSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626947799 469765824 /nfs/dbraw/zinc/76/58/24/469765824.db2.gz YKHKDGOEVZREMS-ZYSHUDEJSA-N 2 0 336.524 2.138 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(F)(F)F ZINC000625023436 470062082 /nfs/dbraw/zinc/06/20/82/470062082.db2.gz HELMUMMNHRLWRB-KBPBESRZSA-N 2 0 337.430 2.449 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628164120 470067878 /nfs/dbraw/zinc/06/78/78/470067878.db2.gz DRYPPWXRKZCCTO-KRWDZBQOSA-N 2 0 327.476 2.165 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCC2(O)CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000631701895 470178752 /nfs/dbraw/zinc/17/87/52/470178752.db2.gz QTLQOTGYSWGKMI-ZWKOTPCHSA-N 2 0 331.504 2.480 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631769821 470182466 /nfs/dbraw/zinc/18/24/66/470182466.db2.gz PPVPQMYUJFHJGO-XGXHKWSGSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000634745752 470291257 /nfs/dbraw/zinc/29/12/57/470291257.db2.gz RMKMADBATTYKSE-RLLQIKCJSA-N 2 0 327.472 2.109 10 0 EEAERP COc1cncc(/C=C/CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000645828564 470431800 /nfs/dbraw/zinc/43/18/00/470431800.db2.gz XNZYIZDFKFIFKW-MTGFJVSHSA-N 2 0 344.503 2.205 10 0 EEAERP CCOc1ccc(OCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646102250 470525875 /nfs/dbraw/zinc/52/58/75/470525875.db2.gz GNGBWUAUGWPWHR-UHFFFAOYSA-N 2 0 334.460 2.261 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649288491 470530031 /nfs/dbraw/zinc/53/00/31/470530031.db2.gz VELGUOPCMKWJQO-INIZCTEOSA-N 2 0 345.487 2.056 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000646911759 470773331 /nfs/dbraw/zinc/77/33/31/470773331.db2.gz GIEQAEYRUHHEPZ-MJGOQNOKSA-N 2 0 345.487 2.183 10 0 EEAERP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647549418 470928622 /nfs/dbraw/zinc/92/86/22/470928622.db2.gz YOFDKPDWMGKNGC-HSALFYBXSA-N 2 0 337.467 2.374 10 0 EEAERP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606596 470994588 /nfs/dbraw/zinc/99/45/88/470994588.db2.gz VQIIEFWRPZKCRQ-MHJFOBGBSA-N 2 0 333.520 2.189 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903841 471013508 /nfs/dbraw/zinc/01/35/08/471013508.db2.gz QUULUTHCDGVWFC-QAPCUYQASA-N 2 0 331.460 2.488 10 0 EEAERP Cc1ccccc1-n1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cn1 ZINC000648034769 471062570 /nfs/dbraw/zinc/06/25/70/471062570.db2.gz FBCPDVCGPVYLBA-UHFFFAOYSA-N 2 0 341.503 2.250 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)CC(C)C)C[C@H]1C ZINC000651193516 471084436 /nfs/dbraw/zinc/08/44/36/471084436.db2.gz ZAPLKNGXNVDYQP-SJORKVTESA-N 2 0 326.529 2.479 10 0 EEAERP C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)O1 ZINC000657295759 471088589 /nfs/dbraw/zinc/08/85/89/471088589.db2.gz XHRYFFWBYTUJNC-HZPDHXFCSA-N 2 0 343.475 2.245 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccco1)c1nc(N)[nH+]c2c1CCCC2 ZINC000645241594 471188792 /nfs/dbraw/zinc/18/87/92/471188792.db2.gz NVIYWPXGDAVKPD-UHFFFAOYSA-N 2 0 329.448 2.489 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240526 471260819 /nfs/dbraw/zinc/26/08/19/471260819.db2.gz FVSPPSLLQCJLFS-SFHVURJKSA-N 2 0 344.503 2.279 10 0 EEAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110298 471266799 /nfs/dbraw/zinc/26/67/99/471266799.db2.gz XDYVOXNNIAWIHQ-MSOLQXFVSA-N 2 0 340.556 2.029 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC/C=C/C[NH3+])cc1 ZINC000669115341 471384434 /nfs/dbraw/zinc/38/44/34/471384434.db2.gz PDZBBFPUXYSGPY-QDLOVBKTSA-N 2 0 330.476 2.375 10 0 EEAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669125168 471388291 /nfs/dbraw/zinc/38/82/91/471388291.db2.gz VMFHBUIQCODAHA-YIEVGGLXSA-N 2 0 330.476 2.233 10 0 EEAERP CCOc1ccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000663503277 471402317 /nfs/dbraw/zinc/40/23/17/471402317.db2.gz MXCZUKOLIYQQNR-UHFFFAOYSA-N 2 0 333.476 2.166 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000663503424 471402490 /nfs/dbraw/zinc/40/24/90/471402490.db2.gz HPTHNRPPWITAHL-UHFFFAOYSA-N 2 0 336.505 2.101 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2ccccc2n1 ZINC000655713194 471453400 /nfs/dbraw/zinc/45/34/00/471453400.db2.gz YGTNJCGAUADGLE-HOTGVXAUSA-N 2 0 327.476 2.153 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659033211 471476692 /nfs/dbraw/zinc/47/66/92/471476692.db2.gz IOTFCEZPXUQFGE-YOEHRIQHSA-N 2 0 334.464 2.199 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659044477 471484968 /nfs/dbraw/zinc/48/49/68/471484968.db2.gz UZZVADUXXZRAJF-QZTJIDSGSA-N 2 0 346.475 2.296 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659045027 471487129 /nfs/dbraw/zinc/48/71/29/471487129.db2.gz UHVRMAVMQINCRX-YJBOKZPZSA-N 2 0 346.475 2.296 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000655825975 471496608 /nfs/dbraw/zinc/49/66/08/471496608.db2.gz ACSVCVSEJZABOU-MAEOIBBWSA-N 2 0 345.487 2.021 10 0 EEAERP [NH3+]C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(F)(F)F ZINC000655910506 471532741 /nfs/dbraw/zinc/53/27/41/471532741.db2.gz WHBRNEIXASQOAI-UONOGXRCSA-N 2 0 344.381 2.012 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC/C=C/C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000669562553 471556388 /nfs/dbraw/zinc/55/63/88/471556388.db2.gz KVGNCSWLXMKBAH-RDFMZFSFSA-N 2 0 344.381 2.122 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946417 471599444 /nfs/dbraw/zinc/59/94/44/471599444.db2.gz BDWDJKBHAICJFR-ROUUACIJSA-N 2 0 334.483 2.008 10 0 EEAERP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659432380 471623956 /nfs/dbraw/zinc/62/39/56/471623956.db2.gz YBALSDWMWYLWGG-RTBURBONSA-N 2 0 344.503 2.307 10 0 EEAERP CCN(C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664126053 471647773 /nfs/dbraw/zinc/64/77/73/471647773.db2.gz KAFYKLLMCPMPCU-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659603285 471696343 /nfs/dbraw/zinc/69/63/43/471696343.db2.gz ZDFWNDXHJDTNOD-IXDOHACOSA-N 2 0 334.508 2.034 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C2CCC(F)CC2)CC1 ZINC000662005399 471952843 /nfs/dbraw/zinc/95/28/43/471952843.db2.gz LESZFAFMRAJPGN-QQFBHYJXSA-N 2 0 327.488 2.482 10 0 EEAERP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030467 471962909 /nfs/dbraw/zinc/96/29/09/471962909.db2.gz FQVALEUJGFOQCX-VNQPRFMTSA-N 2 0 340.427 2.372 10 0 EEAERP Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000665219907 471972170 /nfs/dbraw/zinc/97/21/70/471972170.db2.gz LXMJFUKXWXGEJU-ZWKOTPCHSA-N 2 0 332.492 2.034 10 0 EEAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233400 471976133 /nfs/dbraw/zinc/97/61/33/471976133.db2.gz HAINRBCSBAUEIW-UWJYYQICSA-N 3 0 345.531 2.426 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000665240333 471977405 /nfs/dbraw/zinc/97/74/05/471977405.db2.gz IMRJXOGOIBYVKK-PLACYPQZSA-N 3 0 343.515 2.264 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000665257059 471982508 /nfs/dbraw/zinc/98/25/08/471982508.db2.gz XRIQQHCLKZJWBW-XPGWFJOJSA-N 2 0 331.504 2.461 10 0 EEAERP OC1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000668240561 472056081 /nfs/dbraw/zinc/05/60/81/472056081.db2.gz LVWPIQUUMQMYSC-RTBURBONSA-N 2 0 330.472 2.171 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)c2cccc3c2C[NH2+]C3)ccc1F ZINC000662462781 472117543 /nfs/dbraw/zinc/11/75/43/472117543.db2.gz RBPUQJCQARYYAX-UHFFFAOYSA-N 2 0 327.403 2.421 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)on1 ZINC000662674040 472198876 /nfs/dbraw/zinc/19/88/76/472198876.db2.gz XFKVULVCMXHABY-UHFFFAOYSA-N 2 0 334.464 2.207 10 0 EEAERP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662749101 472233590 /nfs/dbraw/zinc/23/35/90/472233590.db2.gz KKELPZYJQAEFAW-UHFFFAOYSA-N 2 0 349.519 2.060 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000662869237 472284173 /nfs/dbraw/zinc/28/41/73/472284173.db2.gz ZKEAKAIZOZKPDT-CBVHJVASSA-N 2 0 345.487 2.035 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862626 485559678 /nfs/dbraw/zinc/55/96/78/485559678.db2.gz OCHANVTZDHWHDP-AWEZNQCLSA-N 2 0 328.420 2.263 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)[C@@H](C)C1 ZINC000658143170 485572030 /nfs/dbraw/zinc/57/20/30/485572030.db2.gz XHCFXZDXTAOGNR-VDGAXYAQSA-N 3 0 331.504 2.073 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+]1C ZINC000415954910 533890797 /nfs/dbraw/zinc/89/07/97/533890797.db2.gz LEQXSLHUFIWIBZ-TZMCWYRMSA-N 2 0 334.439 2.418 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000173786768 527846695 /nfs/dbraw/zinc/84/66/95/527846695.db2.gz MTWQQPCOBWYGOR-RTBURBONSA-N 2 0 331.504 2.350 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422928022 536596046 /nfs/dbraw/zinc/59/60/46/536596046.db2.gz IKAWXGVTLLTZCI-CYBMUJFWSA-N 2 0 328.840 2.345 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761099182 577676608 /nfs/dbraw/zinc/67/66/08/577676608.db2.gz VUIQITIOBYNYOS-APWZRJJASA-N 2 0 327.472 2.170 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000745180153 577910218 /nfs/dbraw/zinc/91/02/18/577910218.db2.gz IXMUIDHRNOHPNY-ZACQAIPSSA-N 2 0 338.565 2.292 10 0 EEAERP c1cc(N2CCC([NH2+][C@H]3CCCN4CCSC[C@@H]34)CC2)cc[nH+]1 ZINC000896432464 684976278 /nfs/dbraw/zinc/97/62/78/684976278.db2.gz OXOPNEUQWDXCBN-ROUUACIJSA-N 2 0 332.517 2.220 10 0 EEAERP CC1=CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000897397838 688790694 /nfs/dbraw/zinc/79/06/94/688790694.db2.gz LNFFYFSEOPPUKS-OALUTQOASA-N 2 0 327.472 2.448 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323438834 692901820 /nfs/dbraw/zinc/90/18/20/692901820.db2.gz CFQCPKHQUJALPC-MOPGFXCFSA-N 2 0 329.488 2.486 10 0 EEAERP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485576943 1191844770 /nfs/dbraw/zinc/84/47/70/1191844770.db2.gz GHGDNFGQCMUZCG-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485706150 1191899673 /nfs/dbraw/zinc/89/96/73/1191899673.db2.gz ASPMZZXNAYIOIV-IYARVYRRSA-N 2 0 344.503 2.250 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cn1 ZINC001485723420 1191910322 /nfs/dbraw/zinc/91/03/22/1191910322.db2.gz DHSPKMGONUCZDN-GDBMZVCRSA-N 2 0 347.507 2.205 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485763502 1191937188 /nfs/dbraw/zinc/93/71/88/1191937188.db2.gz UZUWRLAYZRHBPX-UHFFFAOYSA-N 2 0 349.523 2.147 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001485814196 1191978226 /nfs/dbraw/zinc/97/82/26/1191978226.db2.gz RPOYOKMYIJBTMY-AEFFLSMTSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCC2CCOCC2)C1)[NH+](C)C ZINC001266341671 1176336285 /nfs/dbraw/zinc/33/62/85/1176336285.db2.gz LOXOZBKFCBTCFA-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691019610 1176500214 /nfs/dbraw/zinc/50/02/14/1176500214.db2.gz BXBAOZSJQWSVJJ-HNNXBMFYSA-N 2 0 349.441 2.499 10 0 EEAERP O=C(NCC[N@H+](CC1=CCCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001266591986 1176902216 /nfs/dbraw/zinc/90/22/16/1176902216.db2.gz DTDHZAUZHYCOCT-LJQANCHMSA-N 2 0 331.504 2.409 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C(C)C)nc1C)[NH+](C)C ZINC001266741063 1177332470 /nfs/dbraw/zinc/33/24/70/1177332470.db2.gz JGWLMFGBTDSINX-GOSISDBHSA-N 2 0 334.508 2.402 10 0 EEAERP CC(C)CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001266865561 1177619994 /nfs/dbraw/zinc/61/99/94/1177619994.db2.gz XNFZGRIUFNMBCI-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCCN1CCOCC1 ZINC001691304508 1177866997 /nfs/dbraw/zinc/86/69/97/1177866997.db2.gz BUXCSUPSMYPNDY-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOC1CCCCCC1 ZINC001266967885 1177938906 /nfs/dbraw/zinc/93/89/06/1177938906.db2.gz KYHDCTFDPCMZLN-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267087602 1178213421 /nfs/dbraw/zinc/21/34/21/1178213421.db2.gz UGYMTGAPLOYCSX-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)CCC[NH+]1CCCCC1 ZINC001267089552 1178216363 /nfs/dbraw/zinc/21/63/63/1178216363.db2.gz IZCGHTZJHYXYER-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC001267090644 1178218170 /nfs/dbraw/zinc/21/81/70/1178218170.db2.gz KBAXAZQNIMHGBQ-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001267181847 1178444346 /nfs/dbraw/zinc/44/43/46/1178444346.db2.gz ORWOATHZMCQVMY-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001691441484 1178632337 /nfs/dbraw/zinc/63/23/37/1178632337.db2.gz PLRKBHFTPYSYPL-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP COc1cccc(/C=C/CC[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001480947114 1179090358 /nfs/dbraw/zinc/09/03/58/1179090358.db2.gz IPVIKBPUXUVAGL-WEBJUUICSA-N 2 0 345.487 2.098 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC001267473752 1179105846 /nfs/dbraw/zinc/10/58/46/1179105846.db2.gz KAYSULZEKAUKDW-UHFFFAOYSA-N 2 0 328.460 2.123 10 0 EEAERP CC(C)[N@@H+](CC=C(Cl)Cl)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267515128 1179234672 /nfs/dbraw/zinc/23/46/72/1179234672.db2.gz XKAZQWGZPDFABL-ZDUSSCGKSA-N 2 0 336.307 2.474 10 0 EEAERP COCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267567845 1179382519 /nfs/dbraw/zinc/38/25/19/1179382519.db2.gz QONOWFPYQHSECW-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCc2cncn2C1)CC1CC(C)(C)C1 ZINC001480983413 1179422806 /nfs/dbraw/zinc/42/28/06/1179422806.db2.gz AFUVQQNWNUKVCW-MRXNPFEDSA-N 2 0 332.492 2.320 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCCCF)C1 ZINC001481093274 1179723062 /nfs/dbraw/zinc/72/30/62/1179723062.db2.gz WUACYAHLEUMEKX-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[N@H+](C1CC1)[C@@H]1CCc2c1cccc2F ZINC001481197361 1180071443 /nfs/dbraw/zinc/07/14/43/1180071443.db2.gz ZYDBPDVPKGYPAL-LJQANCHMSA-N 2 0 345.462 2.489 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CCCCC(F)(F)F)C1 ZINC001267684710 1180156674 /nfs/dbraw/zinc/15/66/74/1180156674.db2.gz SCUXXNLUXOOZDU-CQSZACIVSA-N 2 0 337.430 2.451 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481279721 1180754877 /nfs/dbraw/zinc/75/48/77/1180754877.db2.gz NRCRQAYCFFODFX-QGZVFWFLSA-N 2 0 331.504 2.317 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001267924176 1180773375 /nfs/dbraw/zinc/77/33/75/1180773375.db2.gz FUBOLZYCSMXFGU-BZSNNMDCSA-N 2 0 339.499 2.485 10 0 EEAERP Cc1nocc1C[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001481355234 1181108451 /nfs/dbraw/zinc/10/84/51/1181108451.db2.gz ZWSAVZPSZTWIKL-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001481813021 1182728058 /nfs/dbraw/zinc/72/80/58/1182728058.db2.gz BXHURZBOAPGXKY-VHDGCEQUSA-N 2 0 338.883 2.060 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1c(C)cccc1C ZINC001481872990 1182857680 /nfs/dbraw/zinc/85/76/80/1182857680.db2.gz ZFTBEDYCXYPNSQ-KRWDZBQOSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)co1 ZINC001481988453 1183093093 /nfs/dbraw/zinc/09/30/93/1183093093.db2.gz RGMSSFDCSSCHPQ-SJORKVTESA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001268541748 1183211742 /nfs/dbraw/zinc/21/17/42/1183211742.db2.gz IWUDMFMEFMKUBZ-MMOQLGGJSA-N 2 0 345.462 2.415 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]Cc1cncs1 ZINC001482149284 1183466931 /nfs/dbraw/zinc/46/69/31/1183466931.db2.gz QDLLAHABWHEGNR-GJZGRUSLSA-N 2 0 338.521 2.250 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001268610975 1183520031 /nfs/dbraw/zinc/52/00/31/1183520031.db2.gz YUULXXBAQJUOTC-NSCUHMNNSA-N 2 0 329.435 2.026 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001268631188 1183556683 /nfs/dbraw/zinc/55/66/83/1183556683.db2.gz XVSWGKMNGRCNBD-PLNGDYQASA-N 2 0 328.460 2.270 10 0 EEAERP C[C@H](C[NH2+]CCc1ccns1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268673938 1183600972 /nfs/dbraw/zinc/60/09/72/1183600972.db2.gz ICLKQBHPWALMDX-CQSZACIVSA-N 2 0 346.500 2.155 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@H](C)C[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001268754634 1183670394 /nfs/dbraw/zinc/67/03/94/1183670394.db2.gz FPLSDSXUOHVOLX-PWSUYJOCSA-N 2 0 347.290 2.281 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001268957523 1183850475 /nfs/dbraw/zinc/85/04/75/1183850475.db2.gz DSPLGWSNHZAPNS-GJZGRUSLSA-N 2 0 348.491 2.363 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001269096915 1183959277 /nfs/dbraw/zinc/95/92/77/1183959277.db2.gz HRCARBNQULVUTM-STQMWFEESA-N 2 0 336.307 2.101 10 0 EEAERP C[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+]1CCCCCC1 ZINC001269124267 1183983223 /nfs/dbraw/zinc/98/32/23/1183983223.db2.gz HSYMGWNNSBOJAK-SYTIVJCGSA-N 2 0 327.900 2.488 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001269633646 1184459035 /nfs/dbraw/zinc/45/90/35/1184459035.db2.gz COYYDQNSRHCASI-KRWDZBQOSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001269711528 1184543315 /nfs/dbraw/zinc/54/33/15/1184543315.db2.gz KVOOTVLUSHLGKK-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CC[NH2+]C/C=C/Cl)C2)C1 ZINC001269785463 1184622782 /nfs/dbraw/zinc/62/27/82/1184622782.db2.gz NMMWQWDRNQAEQD-SULOOQPXSA-N 2 0 327.900 2.299 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCC(F)(F)F)CC1 ZINC001269894906 1184700248 /nfs/dbraw/zinc/70/02/48/1184700248.db2.gz FJGJAGDJPJAALX-CQSZACIVSA-N 2 0 335.414 2.251 10 0 EEAERP CCCCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001270242662 1184951603 /nfs/dbraw/zinc/95/16/03/1184951603.db2.gz GKEADDLSNOYPGB-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482296836 1185167243 /nfs/dbraw/zinc/16/72/43/1185167243.db2.gz AEEIKELBIMLNBO-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2cncs2)CC1 ZINC001482346765 1185469364 /nfs/dbraw/zinc/46/93/64/1185469364.db2.gz BCKKUFOLTQEXMY-CQSZACIVSA-N 2 0 338.521 2.200 10 0 EEAERP CC(C)=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271100742 1185888463 /nfs/dbraw/zinc/88/84/63/1185888463.db2.gz NPDHXXBWGHSJGL-HNNXBMFYSA-N 2 0 343.462 2.368 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482459491 1185920754 /nfs/dbraw/zinc/92/07/54/1185920754.db2.gz CKGKCRKGQBALIO-MOPGFXCFSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)no1 ZINC001271565599 1186316626 /nfs/dbraw/zinc/31/66/26/1186316626.db2.gz HWQLPNVAXFKROP-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001271700715 1186382655 /nfs/dbraw/zinc/38/26/55/1186382655.db2.gz SQZHTGWJZQFFGV-WMZOPIPTSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001271814365 1186513854 /nfs/dbraw/zinc/51/38/54/1186513854.db2.gz DQTQINWPADHMEM-OALUTQOASA-N 2 0 347.503 2.198 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCOC1CCC1 ZINC001271886402 1186579095 /nfs/dbraw/zinc/57/90/95/1186579095.db2.gz UMWVJYIBSXRLMA-XYJFISCASA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC[C@H](C)F ZINC001482542007 1186616708 /nfs/dbraw/zinc/61/67/08/1186616708.db2.gz LCOKFWVQMGIBGK-YOEHRIQHSA-N 2 0 347.438 2.359 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1c(F)cccc1F ZINC001482569919 1186904369 /nfs/dbraw/zinc/90/43/69/1186904369.db2.gz IZVXWYKURLDENM-QGZVFWFLSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482860799 1187774726 /nfs/dbraw/zinc/77/47/26/1187774726.db2.gz NFSZNMHNZGRNJM-ZDUSSCGKSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892357 1187819687 /nfs/dbraw/zinc/81/96/87/1187819687.db2.gz SJPRRDZPKBEFER-LBPRGKRZSA-N 2 0 341.908 2.482 10 0 EEAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482925216 1187845404 /nfs/dbraw/zinc/84/54/04/1187845404.db2.gz OBHZSKVQUPFTKL-AQDCRGGLSA-N 2 0 341.499 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954692 1187881489 /nfs/dbraw/zinc/88/14/89/1187881489.db2.gz LXHQRTIDBHRBAW-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP CC(C)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001670937020 1193529713 /nfs/dbraw/zinc/52/97/13/1193529713.db2.gz DHZPPEYBUGVWGV-AYHJJNSGSA-N 2 0 339.524 2.255 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483021426 1188010161 /nfs/dbraw/zinc/01/01/61/1188010161.db2.gz DOENLPXHGWGATF-XFHJGTJQSA-N 2 0 345.487 2.250 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC001483094076 1188462501 /nfs/dbraw/zinc/46/25/01/1188462501.db2.gz XODJKPUZMNYPRA-KIOMOSBCSA-N 2 0 341.499 2.450 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001272882334 1193591639 /nfs/dbraw/zinc/59/16/39/1193591639.db2.gz QZILVSUXIIJULV-GFCCVEGCSA-N 2 0 341.415 2.237 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409437559 1189676385 /nfs/dbraw/zinc/67/63/85/1189676385.db2.gz ACFXRVSOFBDZNZ-CVEARBPZSA-N 2 0 333.476 2.082 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001485914585 1193638472 /nfs/dbraw/zinc/63/84/72/1193638472.db2.gz MHXNIEFFIZRAAJ-BQFCYCMXSA-N 2 0 346.519 2.365 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001485922728 1193641176 /nfs/dbraw/zinc/64/11/76/1193641176.db2.gz PYLPOSPHHQGWOB-SJORKVTESA-N 2 0 347.503 2.111 10 0 EEAERP CO[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001409572031 1190053847 /nfs/dbraw/zinc/05/38/47/1190053847.db2.gz AHBWWQJLKBEUFK-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nccnc1C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483242046 1190271926 /nfs/dbraw/zinc/27/19/26/1190271926.db2.gz AHYDXEBXALOBES-AWEZNQCLSA-N 2 0 347.507 2.032 10 0 EEAERP CO[C@@H](C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001483254279 1190282452 /nfs/dbraw/zinc/28/24/52/1190282452.db2.gz AZPFLFDYPYQUDU-RDJZCZTQSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCOCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483296733 1190319250 /nfs/dbraw/zinc/31/92/50/1190319250.db2.gz QGJBLACUZXAZOJ-INIZCTEOSA-N 2 0 347.503 2.273 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001483296685 1190319600 /nfs/dbraw/zinc/31/96/00/1190319600.db2.gz OORKDKXUZVVEPZ-GJZGRUSLSA-N 2 0 331.451 2.392 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001486090455 1193678388 /nfs/dbraw/zinc/67/83/88/1193678388.db2.gz KNAODBLEUASLSY-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc(C[NH2+][C@H](CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)o1 ZINC001409776125 1190509406 /nfs/dbraw/zinc/50/94/06/1190509406.db2.gz PKYGLWDHDIHPBM-CVEARBPZSA-N 2 0 336.480 2.040 10 0 EEAERP O=C(N[C@H](C[NH2+]CC[C@@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001483571205 1190560684 /nfs/dbraw/zinc/56/06/84/1190560684.db2.gz DYSUJKQCOSTIKX-ZWKOTPCHSA-N 2 0 349.519 2.058 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001483607546 1190586249 /nfs/dbraw/zinc/58/62/49/1190586249.db2.gz MIHSRAHNVBWHSR-SFHVURJKSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)CN1C(=O)CC[NH+](C)C ZINC001486120863 1193687678 /nfs/dbraw/zinc/68/76/78/1193687678.db2.gz FZPXYTWVJZBIFK-HIFRSBDPSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1)[NH+](C)C ZINC001272563479 1190878651 /nfs/dbraw/zinc/87/86/51/1190878651.db2.gz CFKYAHAUKZHJTH-QAPCUYQASA-N 2 0 335.467 2.494 10 0 EEAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592681 1190909117 /nfs/dbraw/zinc/90/91/17/1190909117.db2.gz ZJHWYNHZMZLWJR-ZIAGYGMSSA-N 2 0 347.488 2.073 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH+](CCCF)CC3CC3)CC2)C1 ZINC001483817680 1191046389 /nfs/dbraw/zinc/04/63/89/1191046389.db2.gz WAPRUQMRXQYAOF-KRWDZBQOSA-N 2 0 339.499 2.391 10 0 EEAERP CC(C)OCCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001483967433 1191135457 /nfs/dbraw/zinc/13/54/57/1191135457.db2.gz MQFZOVNZBHKKLJ-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001484014658 1191156231 /nfs/dbraw/zinc/15/62/31/1191156231.db2.gz PJJSZHJECLHGKT-KRWDZBQOSA-N 2 0 336.480 2.088 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484519825 1191394122 /nfs/dbraw/zinc/39/41/22/1191394122.db2.gz BHKWVCNPPYQULV-ICSRJNTNSA-N 2 0 341.499 2.357 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)co1 ZINC001484541025 1191406408 /nfs/dbraw/zinc/40/64/08/1191406408.db2.gz GIUFSJMOHJKJCF-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001484561311 1191416738 /nfs/dbraw/zinc/41/67/38/1191416738.db2.gz YANHZNSCFPGDFO-VQIMIIECSA-N 2 0 347.503 2.473 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001484615979 1191443241 /nfs/dbraw/zinc/44/32/41/1191443241.db2.gz MZLNMMUIJIYHPC-KZNAEPCWSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCOc3ccccc3)CCC2)CCC1 ZINC001484637909 1191454046 /nfs/dbraw/zinc/45/40/46/1191454046.db2.gz WKAGPFJCMWNSIP-UHFFFAOYSA-N 2 0 345.487 2.178 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@@H](C[NH2+]CCC2CC2)C1 ZINC001484680062 1191464776 /nfs/dbraw/zinc/46/47/76/1191464776.db2.gz JTQVXFXLWVBFGK-RBUKOAKNSA-N 2 0 349.519 2.011 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCCC2)C1)[NH+](CC)CC ZINC001484693224 1191469062 /nfs/dbraw/zinc/46/90/62/1191469062.db2.gz SMLDPFPLBISKSX-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC001484726688 1191486328 /nfs/dbraw/zinc/48/63/28/1191486328.db2.gz OSEGEIXAGHDERY-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC1([NH2+]Cc2cc(C)no2)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484815769 1191534554 /nfs/dbraw/zinc/53/45/54/1191534554.db2.gz WIJWIHWOLHXIIN-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CC1CC1 ZINC001484822840 1191540804 /nfs/dbraw/zinc/54/08/04/1191540804.db2.gz IJDFWSXCXRQHGK-IBGZPJMESA-N 2 0 329.488 2.280 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001484870983 1191556368 /nfs/dbraw/zinc/55/63/68/1191556368.db2.gz ONBUXOAFSLZJBT-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001484906366 1191569993 /nfs/dbraw/zinc/56/99/93/1191569993.db2.gz RCAYAFBEXKYYRE-DOTOQJQBSA-N 2 0 347.528 2.213 10 0 EEAERP CC[N@H+](CCCF)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001485031271 1191621704 /nfs/dbraw/zinc/62/17/04/1191621704.db2.gz KEWXAPXWTJUGJV-GOSISDBHSA-N 2 0 339.499 2.248 10 0 EEAERP COC[C@@H](C)[NH2+]CC1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485097821 1191654586 /nfs/dbraw/zinc/65/45/86/1191654586.db2.gz NJSOKMCBBRMSET-QQFBHYJXSA-N 2 0 339.524 2.159 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001485166980 1191676775 /nfs/dbraw/zinc/67/67/75/1191676775.db2.gz DTOFSXLUKYWAAA-RYUDHWBXSA-N 2 0 343.456 2.396 10 0 EEAERP C[C@@H]([NH2+]Cc1ccns1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485193611 1191687657 /nfs/dbraw/zinc/68/76/57/1191687657.db2.gz IBDREAQDDGKDHQ-OLZOCXBDSA-N 2 0 326.510 2.104 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485205558 1191692627 /nfs/dbraw/zinc/69/26/27/1191692627.db2.gz CWNSBXDEPNJXDJ-IRXDYDNUSA-N 2 0 346.519 2.493 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485312869 1191729668 /nfs/dbraw/zinc/72/96/68/1191729668.db2.gz JCEXIAXGJDTNRX-QAPCUYQASA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001485347315 1191749144 /nfs/dbraw/zinc/74/91/44/1191749144.db2.gz HEAAMPCMUWVOND-OLZOCXBDSA-N 2 0 327.419 2.414 10 0 EEAERP COc1cccc(CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001485383952 1191768746 /nfs/dbraw/zinc/76/87/46/1191768746.db2.gz QGIJPPIGLOQUEI-AEFFLSMTSA-N 2 0 347.503 2.016 10 0 EEAERP O=C(NC1(C[NH2+]Cc2cscn2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001485456462 1191792390 /nfs/dbraw/zinc/79/23/90/1191792390.db2.gz UDBONMGYDXYMIZ-UHFFFAOYSA-N 2 0 348.516 2.148 10 0 EEAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCCN2CCOCC2)[C@H]1C ZINC001486182779 1193719509 /nfs/dbraw/zinc/71/95/09/1193719509.db2.gz ZEYNPZNWCBITEH-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486235099 1193787251 /nfs/dbraw/zinc/78/72/51/1193787251.db2.gz RTWGFCCMSMQOTR-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CC(C)(C)CO1)C(=O)[C@@H]1CCC[NH+]1C ZINC001486365761 1193864596 /nfs/dbraw/zinc/86/45/96/1193864596.db2.gz YLOSWZRPGCQIFK-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001410117772 1197555625 /nfs/dbraw/zinc/55/56/25/1197555625.db2.gz HTZCGEQBTAAOHC-XGBSXSJOSA-N 2 0 349.906 2.394 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501235 1198055850 /nfs/dbraw/zinc/05/58/50/1198055850.db2.gz GTKVDIJRCARLOK-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001410501643 1198056827 /nfs/dbraw/zinc/05/68/27/1198056827.db2.gz SZLCHMCBBOVPQY-FUHWJXTLSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1cccc(NC(=O)NC(=O)C[N@H+](C)CCCCCC[NH3+])c1C ZINC000872154831 1198061176 /nfs/dbraw/zinc/06/11/76/1198061176.db2.gz BVRTYDLIEBGMPZ-UHFFFAOYSA-N 2 0 334.464 2.402 10 0 EEAERP CN(C[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000872229645 1198099905 /nfs/dbraw/zinc/09/99/05/1198099905.db2.gz RXKBHJMIYXWRGJ-SWKXRBFHSA-N 2 0 343.512 2.067 10 0 EEAERP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255688 1198114161 /nfs/dbraw/zinc/11/41/61/1198114161.db2.gz KWRUATKHZISTNE-OWYHZJEWSA-N 2 0 343.471 2.122 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+]Cc2cnc3c(F)cccc3c2)CC1(C)C ZINC000865553053 1198273450 /nfs/dbraw/zinc/27/34/50/1198273450.db2.gz QUJVNXACHGYPMJ-UHFFFAOYSA-N 2 0 330.451 2.490 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001273381934 1198422971 /nfs/dbraw/zinc/42/29/71/1198422971.db2.gz MSLMTMKDQYDQJP-IBGZPJMESA-N 2 0 329.488 2.275 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@H]1C[NH+](C)C ZINC000866012202 1198454380 /nfs/dbraw/zinc/45/43/80/1198454380.db2.gz UDUNLGMORYNQAH-CHWSQXEVSA-N 2 0 330.398 2.276 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cncs2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001410866477 1198518290 /nfs/dbraw/zinc/51/82/90/1198518290.db2.gz PPZMRTKFQYYPRB-KGLIPLIRSA-N 2 0 338.521 2.200 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000810174371 1199330889 /nfs/dbraw/zinc/33/08/89/1199330889.db2.gz SEVOBMKWYKWWSD-QAPCUYQASA-N 2 0 325.472 2.286 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870879447 1200927866 /nfs/dbraw/zinc/92/78/66/1200927866.db2.gz GUYGEZQRXUNEGA-SMDDNHRTSA-N 2 0 342.281 2.295 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870937322 1200966731 /nfs/dbraw/zinc/96/67/31/1200966731.db2.gz ZCWHVALQLVNUBX-VHRBIJSZSA-N 2 0 340.265 2.035 10 0 EEAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000870994830 1200997420 /nfs/dbraw/zinc/99/74/20/1200997420.db2.gz WDCCDAZEQIBVCN-OXJNMPFZSA-N 2 0 342.487 2.261 10 0 EEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCCN1CCOCC1)C2 ZINC000880020846 1201350231 /nfs/dbraw/zinc/35/02/31/1201350231.db2.gz QWFDRQMZNXKRIR-LEWJYISDSA-N 2 0 343.515 2.163 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000868167115 1201756461 /nfs/dbraw/zinc/75/64/61/1201756461.db2.gz MOYVJPOPGMPKJX-UHFFFAOYSA-N 2 0 331.464 2.112 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1F)C12CCC[NH+](CCC1)C2 ZINC001274119365 1204386064 /nfs/dbraw/zinc/38/60/64/1204386064.db2.gz MCQVKFWPRCHOJE-ARJAWSKDSA-N 2 0 345.462 2.464 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1F ZINC001274133267 1204395147 /nfs/dbraw/zinc/39/51/47/1204395147.db2.gz KHIBMGDQDVPHFD-DUMMIQTOSA-N 2 0 333.451 2.115 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001275407194 1205344177 /nfs/dbraw/zinc/34/41/77/1205344177.db2.gz SADLPDUSTLQRFE-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275480084 1205378752 /nfs/dbraw/zinc/37/87/52/1205378752.db2.gz FRGOGWTYNJQYGO-QWHCGFSZSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001275617718 1205446342 /nfs/dbraw/zinc/44/63/42/1205446342.db2.gz UBLLQCSUAWDONY-ABHNRTSZSA-N 2 0 339.524 2.255 10 0 EEAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001276006556 1205631370 /nfs/dbraw/zinc/63/13/70/1205631370.db2.gz AGZYAIFZRBGUKW-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(-n2ccnc2)ccc1O ZINC001412385879 1205710622 /nfs/dbraw/zinc/71/06/22/1205710622.db2.gz PMYBJLJDTIDIBB-UHFFFAOYSA-N 2 0 330.432 2.428 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924808784 1206035154 /nfs/dbraw/zinc/03/51/54/1206035154.db2.gz VYTCZISWJZTNCX-GOSISDBHSA-N 2 0 344.503 2.415 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925331681 1206098382 /nfs/dbraw/zinc/09/83/82/1206098382.db2.gz KNMOKUMIJQQQCI-YTQUADARSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)CCc3ccccc3)C2)CC[N@@H+]1C ZINC000925340019 1206099489 /nfs/dbraw/zinc/09/94/89/1206099489.db2.gz AWRMUDRYINQMBX-BHIYHBOVSA-N 2 0 344.503 2.037 10 0 EEAERP COc1cccc(N2CC[C@H](C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)c1 ZINC000925563786 1206128746 /nfs/dbraw/zinc/12/87/46/1206128746.db2.gz FKMVLIZRQPPGEE-VRRLIPPPSA-N 2 0 327.472 2.108 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)C[C@@H]([NH3+])C1 ZINC000925637713 1206138462 /nfs/dbraw/zinc/13/84/62/1206138462.db2.gz QGVXUHAREQTZPJ-HYVNUMGLSA-N 2 0 330.476 2.068 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650138 1206139886 /nfs/dbraw/zinc/13/98/86/1206139886.db2.gz MSMUZJHLVZVVJY-KZNAEPCWSA-N 2 0 331.529 2.464 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664235 1206140930 /nfs/dbraw/zinc/14/09/30/1206140930.db2.gz DNVCSQMWACYUGA-DEORAPPZSA-N 2 0 328.460 2.411 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)C12CCC2 ZINC000925708287 1206145394 /nfs/dbraw/zinc/14/53/94/1206145394.db2.gz RVWGNGRBOHOAGB-RBUKOAKNSA-N 2 0 340.515 2.201 10 0 EEAERP [NH3+]CCC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1 ZINC000925729676 1206147385 /nfs/dbraw/zinc/14/73/85/1206147385.db2.gz KSQLAEUMZDMDJB-ONQFOCNCSA-N 2 0 336.501 2.412 10 0 EEAERP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000925791806 1206154640 /nfs/dbraw/zinc/15/46/40/1206154640.db2.gz SICJYFQRLBFAGT-HLLBOEOZSA-N 2 0 333.476 2.050 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC12CC[NH2+]CC2 ZINC000925848877 1206160228 /nfs/dbraw/zinc/16/02/28/1206160228.db2.gz FBFXDZCGCZKHMS-NVXWUHKLSA-N 2 0 330.428 2.045 10 0 EEAERP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925850515 1206160500 /nfs/dbraw/zinc/16/05/00/1206160500.db2.gz BQRJELDWEAQUSQ-YJBOKZPZSA-N 2 0 346.471 2.291 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC(F)(F)CC1 ZINC000925849442 1206160523 /nfs/dbraw/zinc/16/05/23/1206160523.db2.gz JFEDWABXRCXECG-JSGCOSHPSA-N 2 0 330.419 2.475 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2c(c1)COC2 ZINC000925852100 1206160870 /nfs/dbraw/zinc/16/08/70/1206160870.db2.gz GOMJUZIFNYCPIK-GUYCJALGSA-N 2 0 330.428 2.053 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(F)c1 ZINC000925852755 1206161045 /nfs/dbraw/zinc/16/10/45/1206161045.db2.gz HHYGHTAJZHGYAW-OCCSQVGLSA-N 2 0 336.407 2.170 10 0 EEAERP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854375 1206161283 /nfs/dbraw/zinc/16/12/83/1206161283.db2.gz RKMOKNIDDSEBQR-QWHCGFSZSA-N 2 0 349.500 2.358 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)CC12CC[NH2+]CC2 ZINC000925853767 1206161305 /nfs/dbraw/zinc/16/13/05/1206161305.db2.gz REOWOOZASWEUEW-DOTOQJQBSA-N 2 0 346.496 2.292 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000926281545 1206210811 /nfs/dbraw/zinc/21/08/11/1206210811.db2.gz PDPFHCKIMNOFJT-JQKXYWIWSA-N 2 0 343.515 2.207 10 0 EEAERP C[C@@H]1C[NH+](C/C=C\C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)Cc2c[nH]nc21 ZINC000931460187 1207386744 /nfs/dbraw/zinc/38/67/44/1207386744.db2.gz FGYDVFKEXCJGHY-LQOBQMSGSA-N 2 0 326.448 2.227 10 0 EEAERP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000931664080 1207436144 /nfs/dbraw/zinc/43/61/44/1207436144.db2.gz PLINEMQOPRALIL-PEKVBPLLSA-N 2 0 345.487 2.193 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000779342353 1210020427 /nfs/dbraw/zinc/02/04/27/1210020427.db2.gz RNQTXBBSHMLABW-KXZRCVDZSA-N 2 0 343.515 2.271 10 0 EEAERP Cc1nn(C)cc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718009583 1211700892 /nfs/dbraw/zinc/70/08/92/1211700892.db2.gz AIDITKXBKFSZOW-UHFFFAOYSA-N 2 0 342.487 2.235 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001490877868 1212032462 /nfs/dbraw/zinc/03/24/62/1212032462.db2.gz YUNZKMXONMSPHO-BZSNNMDCSA-N 2 0 345.487 2.095 10 0 EEAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000900180748 1234070943 /nfs/dbraw/zinc/07/09/43/1234070943.db2.gz USLYOGDIRNTRJV-FQEVSTJZSA-N 2 0 345.487 2.458 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900300010 1234178855 /nfs/dbraw/zinc/17/88/55/1234178855.db2.gz NSYCOKGPEIPWKI-GBESFXJTSA-N 2 0 329.488 2.292 10 0 EEAERP C[C@@H](c1cccc(NC(=O)C23CC[NH+](CC2)C3)c1)N1CCOCC1 ZINC000900578039 1234509808 /nfs/dbraw/zinc/50/98/08/1234509808.db2.gz YLCQUWAOZITEHY-HNNXBMFYSA-N 2 0 329.444 2.114 10 0 EEAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC001413185089 1234556429 /nfs/dbraw/zinc/55/64/29/1234556429.db2.gz GQKSLRRPARNGFR-KZNAEPCWSA-N 2 0 329.488 2.353 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902746508 1238381476 /nfs/dbraw/zinc/38/14/76/1238381476.db2.gz IWXVTSFAFYDXTI-ZHALLVOQSA-N 2 0 331.504 2.242 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1OC(C)C)C2 ZINC000903491777 1240655479 /nfs/dbraw/zinc/65/54/79/1240655479.db2.gz ALPMWZKLGCCNCJ-FCEWJHQRSA-N 2 0 332.444 2.186 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1CC[NH3+] ZINC000903496617 1240672375 /nfs/dbraw/zinc/67/23/75/1240672375.db2.gz VVPSPEBEJLGGMP-VXGBXAGGSA-N 2 0 329.897 2.277 10 0 EEAERP c1ccc(COCCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903507185 1240721134 /nfs/dbraw/zinc/72/11/34/1240721134.db2.gz QIPODINNJSQAFR-OYRHEFFESA-N 2 0 343.515 2.494 10 0 EEAERP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@]3(CC[NH2+]C3)CO1)OCCO2 ZINC000903717984 1241707810 /nfs/dbraw/zinc/70/78/10/1241707810.db2.gz GTUREIGNFUMNRJ-UWVAXJGDSA-N 2 0 344.455 2.363 10 0 EEAERP c1cc2c(cc1[C@H]([NH2+]C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C1CC1)OCCO2 ZINC000903757633 1241852276 /nfs/dbraw/zinc/85/22/76/1241852276.db2.gz FKTBXBMBVISCOB-DBVUQKKJSA-N 2 0 344.455 2.267 10 0 EEAERP CC(C)c1nc(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cs1 ZINC000903924529 1242517980 /nfs/dbraw/zinc/51/79/80/1242517980.db2.gz FNRWVVCOGBLLHL-AWEZNQCLSA-N 2 0 334.493 2.115 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000903935029 1242566226 /nfs/dbraw/zinc/56/62/26/1242566226.db2.gz LAMLMVFCFGOJPW-OAHLLOKOSA-N 2 0 335.521 2.312 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001491017201 1258573844 /nfs/dbraw/zinc/57/38/44/1258573844.db2.gz DUIQBLFHNHUNBV-ZIFCJYIRSA-N 2 0 345.487 2.175 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1)[NH+](C)C ZINC001491495705 1259145438 /nfs/dbraw/zinc/14/54/38/1259145438.db2.gz PRJXMUSTMGQBNO-CZUORRHYSA-N 2 0 325.884 2.317 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001273689626 1283404509 /nfs/dbraw/zinc/40/45/09/1283404509.db2.gz YRMYYHSBZSFLDN-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001489230503 1290480800 /nfs/dbraw/zinc/48/08/00/1290480800.db2.gz CLLXRZVIHAROAF-PBPRPIPASA-N 2 0 327.900 2.440 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H]1CCOC1)[NH+](C)C ZINC001489322664 1290508471 /nfs/dbraw/zinc/50/84/71/1290508471.db2.gz LJHBZJRVZIMWHB-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nsc(C)c1C[N@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001490208738 1291001165 /nfs/dbraw/zinc/00/11/65/1291001165.db2.gz YEWUVTUKJYAKDV-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001490727951 1291613431 /nfs/dbraw/zinc/61/34/31/1291613431.db2.gz HICYHYVNOGFTIW-CRAIPNDOSA-N 2 0 333.451 2.152 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1(C)C ZINC000858175380 1294033245 /nfs/dbraw/zinc/03/32/45/1294033245.db2.gz MEVNGYQXSORQNL-CABCVRRESA-N 2 0 341.496 2.085 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000863550130 1296329569 /nfs/dbraw/zinc/32/95/69/1296329569.db2.gz ZBMVZCRDXBODFL-MSOLQXFVSA-N 2 0 347.434 2.015 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001276812954 1298384336 /nfs/dbraw/zinc/38/43/36/1298384336.db2.gz NDCCTFRQVUCBPW-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(NCC1([NH2+]CCCc2ccsc2)CC1)C12CC[NH+](CC1)C2 ZINC001277225957 1301912850 /nfs/dbraw/zinc/91/28/50/1301912850.db2.gz ZKBALVDZCBEVEV-UHFFFAOYSA-N 2 0 333.501 2.015 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)o1 ZINC001277292113 1302221842 /nfs/dbraw/zinc/22/18/42/1302221842.db2.gz VIYGLDOBQUGFSC-CYBMUJFWSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cscn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001277316381 1302331605 /nfs/dbraw/zinc/33/16/05/1302331605.db2.gz YCAWXSLUDHCVIH-CQSZACIVSA-N 2 0 338.521 2.250 10 0 EEAERP COCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001277818833 1304640737 /nfs/dbraw/zinc/64/07/37/1304640737.db2.gz DANZCAIJDZYHFI-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001277907046 1305049698 /nfs/dbraw/zinc/04/96/98/1305049698.db2.gz IMGSYIHORNQGGT-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000843071866 1315835130 /nfs/dbraw/zinc/83/51/30/1315835130.db2.gz CIFDGZZVDASFQT-YOEHRIQHSA-N 2 0 326.868 2.200 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001261502804 1322116218 /nfs/dbraw/zinc/11/62/18/1322116218.db2.gz YWLONNLDRIRDON-ZWKOTPCHSA-N 2 0 330.476 2.285 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1C[C@@H]1CC(C)(C)CO1)C(=O)CCCC[NH+](C)C ZINC001263817019 1322524817 /nfs/dbraw/zinc/52/48/17/1322524817.db2.gz MZOVSJQQKHDKDL-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001263816581 1322525159 /nfs/dbraw/zinc/52/51/59/1322525159.db2.gz FCSKDZPJPXTMDD-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001263912582 1322553330 /nfs/dbraw/zinc/55/33/30/1322553330.db2.gz WFIAEUINODQULM-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCCCOC ZINC001264071874 1322605073 /nfs/dbraw/zinc/60/50/73/1322605073.db2.gz QWBCRYJLKYRTQB-KSZLIROESA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001264742700 1322799554 /nfs/dbraw/zinc/79/95/54/1322799554.db2.gz CUNQFOUTLKKHTE-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CCc2cccs2)CC[N@@H+]1C ZINC001264987588 1322836013 /nfs/dbraw/zinc/83/60/13/1322836013.db2.gz CVNBLCBAYNHRKJ-DLBZAZTESA-N 2 0 337.533 2.459 10 0 EEAERP C[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCOC1)[NH+]1CCCCCC1 ZINC001265043738 1322885864 /nfs/dbraw/zinc/88/58/64/1322885864.db2.gz XVEQWOLBFTWXHL-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NCCC[N@@H+](CCCF)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001265177613 1322969441 /nfs/dbraw/zinc/96/94/41/1322969441.db2.gz YZTOYYQZTJHVTP-DLBZAZTESA-N 2 0 325.472 2.334 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001265287880 1323038752 /nfs/dbraw/zinc/03/87/52/1323038752.db2.gz JKISLISGROXGQU-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265386751 1323114297 /nfs/dbraw/zinc/11/42/97/1323114297.db2.gz MEDQVUJGHTZQGC-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001265444600 1323159404 /nfs/dbraw/zinc/15/94/04/1323159404.db2.gz YCCQCWWUMHMOFZ-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001265871787 1323444295 /nfs/dbraw/zinc/44/42/95/1323444295.db2.gz GMEJCPVYYMOSLZ-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001266029656 1323580215 /nfs/dbraw/zinc/58/02/15/1323580215.db2.gz VMGAAZWVRBLORI-VQTJNVASSA-N 2 0 343.515 2.399 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001266029654 1323580363 /nfs/dbraw/zinc/58/03/63/1323580363.db2.gz VMGAAZWVRBLORI-PMACEKPBSA-N 2 0 343.515 2.399 10 0 EEAERP CO[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119301 1323688741 /nfs/dbraw/zinc/68/87/41/1323688741.db2.gz BONQTXLVBCFDAC-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncoc1C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001266138259 1323707890 /nfs/dbraw/zinc/70/78/90/1323707890.db2.gz AFZSMOOJIYBPDX-KRWDZBQOSA-N 2 0 348.491 2.327 10 0 EEAERP C[NH+]1CCC(CC(=O)N(CC[NH2+]CCF)Cc2ccccc2)CC1 ZINC001279318442 1323872914 /nfs/dbraw/zinc/87/29/14/1323872914.db2.gz NFYQMJOPYXOOKR-UHFFFAOYSA-N 2 0 335.467 2.306 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001280083039 1324078603 /nfs/dbraw/zinc/07/86/03/1324078603.db2.gz GWBQUBPSPTXKSB-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001280198697 1324110815 /nfs/dbraw/zinc/11/08/15/1324110815.db2.gz VVJQHHDEAAQNIP-AEFFLSMTSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001280263780 1324134315 /nfs/dbraw/zinc/13/43/15/1324134315.db2.gz MDJQVZPZJJLRKB-ROUUACIJSA-N 2 0 344.503 2.060 10 0 EEAERP COCC[NH2+][C@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001280355201 1324169325 /nfs/dbraw/zinc/16/93/25/1324169325.db2.gz ZAXPZFPTQQHSEN-MRXNPFEDSA-N 2 0 347.503 2.332 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCc1cccs1)C(=O)C12CC[NH+](CC1)C2 ZINC001282337087 1325694906 /nfs/dbraw/zinc/69/49/06/1325694906.db2.gz GGQOCOLJIFOMBG-UHFFFAOYSA-N 2 0 349.544 2.461 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nccs1 ZINC001283174162 1325944488 /nfs/dbraw/zinc/94/44/88/1325944488.db2.gz QXHNNWFLMKEDEJ-GJZGRUSLSA-N 2 0 338.521 2.390 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001284928886 1326780481 /nfs/dbraw/zinc/78/04/81/1326780481.db2.gz RERQAKOZECIZRO-RBUKOAKNSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001284977424 1326806824 /nfs/dbraw/zinc/80/68/24/1326806824.db2.gz WFUYZYVEGWKBDX-GOSISDBHSA-N 2 0 348.491 2.126 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(Cl)s1 ZINC001491640160 1330194254 /nfs/dbraw/zinc/19/42/54/1330194254.db2.gz ITSBSKSBKBRFHG-NSHDSACASA-N 2 0 327.881 2.092 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001491603443 1330200635 /nfs/dbraw/zinc/20/06/35/1330200635.db2.gz TZYQWRDSFSMGQL-AEFFLSMTSA-N 2 0 332.492 2.247 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)cc1Cl ZINC001491682300 1330204315 /nfs/dbraw/zinc/20/43/15/1330204315.db2.gz KHYRSWGPRRDFEB-CYBMUJFWSA-N 2 0 341.883 2.283 10 0 EEAERP C[N@H+](CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCO)C1)C1CCCCC1 ZINC001491881417 1330287274 /nfs/dbraw/zinc/28/72/74/1330287274.db2.gz GFMUJOBMCHTEFG-IAGOWNOFSA-N 2 0 339.524 2.040 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001491890948 1330291448 /nfs/dbraw/zinc/29/14/48/1330291448.db2.gz GZBDDYGGBUVGET-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491897294 1330294784 /nfs/dbraw/zinc/29/47/84/1330294784.db2.gz VEZIIZQSDACAFJ-CVEARBPZSA-N 2 0 336.480 2.149 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001491959310 1330352998 /nfs/dbraw/zinc/35/29/98/1330352998.db2.gz KZNINKRNYYGJQJ-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001316774152 1331886264 /nfs/dbraw/zinc/88/62/64/1331886264.db2.gz SUMCJOJDLMWKLB-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1cncc(C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001316871349 1331942032 /nfs/dbraw/zinc/94/20/32/1331942032.db2.gz WTPHYZVPGWYIKI-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC001316887445 1331952941 /nfs/dbraw/zinc/95/29/41/1331952941.db2.gz QZRHXQHFYVFAHF-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001316955126 1332014844 /nfs/dbraw/zinc/01/48/44/1332014844.db2.gz PYFTZNZBEFGVTE-RTBURBONSA-N 2 0 347.503 2.033 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001317161139 1332105708 /nfs/dbraw/zinc/10/57/08/1332105708.db2.gz AEAHPCPNFQXVCF-HOTGVXAUSA-N 2 0 335.517 2.071 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001317161912 1332106526 /nfs/dbraw/zinc/10/65/26/1332106526.db2.gz FSYJBOFUDUQVKI-NIKFVJRQSA-N 2 0 341.499 2.480 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001317166217 1332108554 /nfs/dbraw/zinc/10/85/54/1332108554.db2.gz XGVRLFGNJTUXBQ-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001317174036 1332113720 /nfs/dbraw/zinc/11/37/20/1332113720.db2.gz QAYDLHLRDOHXIZ-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001317320628 1332177901 /nfs/dbraw/zinc/17/79/01/1332177901.db2.gz APOKVXBCRPJLRR-CSAUUDERSA-N 2 0 341.499 2.478 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001317333775 1332183464 /nfs/dbraw/zinc/18/34/64/1332183464.db2.gz NQLPIVIOKJOGAR-SXLOBPIMSA-N 2 0 343.515 2.398 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317339388 1332185832 /nfs/dbraw/zinc/18/58/32/1332185832.db2.gz SEICTZGARGPVOU-APWZRJJASA-N 2 0 339.499 2.437 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001317354593 1332191843 /nfs/dbraw/zinc/19/18/43/1332191843.db2.gz JKBBREMUOLFKCA-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001317424779 1332228333 /nfs/dbraw/zinc/22/83/33/1332228333.db2.gz XBVCSLKQHJLVDH-RYRNWLTQSA-N 2 0 339.911 2.442 10 0 EEAERP COCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317842329 1332428545 /nfs/dbraw/zinc/42/85/45/1332428545.db2.gz OXVNDXPLLLQTEC-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCCCOC)C1 ZINC001318446654 1332539377 /nfs/dbraw/zinc/53/93/77/1332539377.db2.gz WSHMMHOCCJDMQL-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318594328 1332565479 /nfs/dbraw/zinc/56/54/79/1332565479.db2.gz HFPPEOLQTRAINI-HUUCEWRRSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001318685721 1332577356 /nfs/dbraw/zinc/57/73/56/1332577356.db2.gz JULGTAVHDSPWFJ-ZBFHGGJFSA-N 2 0 347.425 2.155 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)CC[N@@H+]1C ZINC001318699326 1332579828 /nfs/dbraw/zinc/57/98/28/1332579828.db2.gz VDUDINIGPDYJAE-KYOSRNDESA-N 2 0 335.414 2.154 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319112876 1332651402 /nfs/dbraw/zinc/65/14/02/1332651402.db2.gz CCWZONAVVPCSPY-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319775170 1332764786 /nfs/dbraw/zinc/76/47/86/1332764786.db2.gz QYPPEBLSVJDAMI-NVXWUHKLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001320451587 1332887291 /nfs/dbraw/zinc/88/72/91/1332887291.db2.gz YDGXFJLHZNOYHR-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320633703 1332925794 /nfs/dbraw/zinc/92/57/94/1332925794.db2.gz KANXSTQEWMTTIM-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001320830048 1332961331 /nfs/dbraw/zinc/96/13/31/1332961331.db2.gz LODFPAQQZDQBFT-JXMROGBWSA-N 2 0 329.488 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320929567 1332981743 /nfs/dbraw/zinc/98/17/43/1332981743.db2.gz SAYHQEREXOMOCY-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089425 1333016760 /nfs/dbraw/zinc/01/67/60/1333016760.db2.gz BBTZHQRHUKZLDP-SBXOADHZSA-N 2 0 325.472 2.404 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001321248331 1333054610 /nfs/dbraw/zinc/05/46/10/1333054610.db2.gz BEULUBLSFBXJQX-OKQSBHACSA-N 2 0 333.451 2.491 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001321567512 1333125913 /nfs/dbraw/zinc/12/59/13/1333125913.db2.gz IPVYFGZWPOPOQB-QGZVFWFLSA-N 2 0 329.488 2.342 10 0 EEAERP C[C@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001322194562 1333225175 /nfs/dbraw/zinc/22/51/75/1333225175.db2.gz UKWQXUACFCFECK-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001323142641 1333395333 /nfs/dbraw/zinc/39/53/33/1333395333.db2.gz JJEJPPIHGSPKPQ-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324833116 1333769435 /nfs/dbraw/zinc/76/94/35/1333769435.db2.gz LKVKFKHXBNQUIR-AFCDSYGPSA-N 2 0 327.900 2.443 10 0 EEAERP COCCC[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001326489593 1334103204 /nfs/dbraw/zinc/10/32/04/1334103204.db2.gz JOMOLRPFMWOPCP-MRXNPFEDSA-N 2 0 345.487 2.086 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001328262659 1334430051 /nfs/dbraw/zinc/43/00/51/1334430051.db2.gz YPECRTYNJDONLK-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(NC(=O)C2([NH3+])CC3(CCC3)C2)ccc1N1CC[NH+](C)CC1 ZINC001329809757 1334718624 /nfs/dbraw/zinc/71/86/24/1334718624.db2.gz SIBCLVMWYCKRTC-UHFFFAOYSA-N 2 0 342.487 2.347 10 0 EEAERP CC(C)COCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001329910085 1334737892 /nfs/dbraw/zinc/73/78/92/1334737892.db2.gz ZAAMCOYZDGDXAQ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N(CCC[NH2+]CCF)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001331087583 1334961051 /nfs/dbraw/zinc/96/10/51/1334961051.db2.gz DUXPEJSMJUCJIX-UHFFFAOYSA-N 2 0 333.451 2.060 10 0 EEAERP Cc1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001331471558 1335019405 /nfs/dbraw/zinc/01/94/05/1335019405.db2.gz DLLYZIJCSVJVMC-RDJZCZTQSA-N 2 0 345.491 2.009 10 0 EEAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001331543518 1335034113 /nfs/dbraw/zinc/03/41/13/1335034113.db2.gz LEBJFLSCNQYAAC-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCc1ccccc1)C(C)(C)C ZINC001332777275 1335904637 /nfs/dbraw/zinc/90/46/37/1335904637.db2.gz ULFGWDHHYDNVER-ROUUACIJSA-N 2 0 331.504 2.444 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332793222 1335908176 /nfs/dbraw/zinc/90/81/76/1335908176.db2.gz VWXZADQTJKPKPB-JKSUJKDBSA-N 2 0 327.513 2.016 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332861434 1335920705 /nfs/dbraw/zinc/92/07/05/1335920705.db2.gz SCLUJOUDCFAWTN-IAGOWNOFSA-N 2 0 341.540 2.408 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001479909910 1337554995 /nfs/dbraw/zinc/55/49/95/1337554995.db2.gz XRCZVGADNPXZNR-MRXNPFEDSA-N 2 0 329.444 2.465 10 0 EEAERP Cc1ccc2sc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)nc2c1 ZINC001480530729 1338309096 /nfs/dbraw/zinc/30/90/96/1338309096.db2.gz NBBGSHXEVCAHNB-ZDUSSCGKSA-N 2 0 334.489 2.151 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC001620714982 1352362125 /nfs/dbraw/zinc/36/21/25/1352362125.db2.gz CPWBQZIGHIWAGW-HXUWFJFHSA-N 2 0 331.504 2.211 10 0 EEAERP CCc1cnc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001666195449 1355482242 /nfs/dbraw/zinc/48/22/42/1355482242.db2.gz URQXVHLFSUDWLB-KRWDZBQOSA-N 2 0 348.491 2.050 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCc1ccccc1F ZINC001666640313 1355557413 /nfs/dbraw/zinc/55/74/13/1355557413.db2.gz CUSSILKKUCNSSD-QGZVFWFLSA-N 2 0 349.494 2.442 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001436367058 1342055467 /nfs/dbraw/zinc/05/54/67/1342055467.db2.gz MCNIYMOJPYTGQC-GASCZTMLSA-N 2 0 344.459 2.152 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436380646 1342061646 /nfs/dbraw/zinc/06/16/46/1342061646.db2.gz UULLWGVBYQDYET-DJIMGWMZSA-N 2 0 348.491 2.096 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500273232 1342126445 /nfs/dbraw/zinc/12/64/45/1342126445.db2.gz STJRYVFSGXHPHG-VOFKWLDRSA-N 2 0 337.508 2.034 10 0 EEAERP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001500273200 1342126459 /nfs/dbraw/zinc/12/64/59/1342126459.db2.gz SDZOAHKYQHJVIB-IBGZPJMESA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500273231 1342126516 /nfs/dbraw/zinc/12/65/16/1342126516.db2.gz STJRYVFSGXHPHG-UEKDZROGSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCCC(F)(F)F)C1 ZINC001500289465 1342137221 /nfs/dbraw/zinc/13/72/21/1342137221.db2.gz JOTHCZKXXCZCDA-OAHLLOKOSA-N 2 0 335.414 2.395 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N2CC[C@](C)(C[NH2+]CCF)C2)cc1 ZINC001500378773 1342182644 /nfs/dbraw/zinc/18/26/44/1342182644.db2.gz WYCAWTZYZVJWIE-LJQANCHMSA-N 2 0 335.467 2.202 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001567051311 1342686254 /nfs/dbraw/zinc/68/62/54/1342686254.db2.gz RZYDDTISEACMOR-KRWDZBQOSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCCc1ccccc1 ZINC001567050555 1342686350 /nfs/dbraw/zinc/68/63/50/1342686350.db2.gz CCTROYAQNDBJMS-QGZVFWFLSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001567176274 1342704972 /nfs/dbraw/zinc/70/49/72/1342704972.db2.gz JWSUEJMZUMJONA-QZTJIDSGSA-N 2 0 347.507 2.034 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001567507966 1342775156 /nfs/dbraw/zinc/77/51/56/1342775156.db2.gz NSEMYEHUAXOPKY-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001569687136 1342923990 /nfs/dbraw/zinc/92/39/90/1342923990.db2.gz ODWCWMXYBPSPCX-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001569870995 1342963597 /nfs/dbraw/zinc/96/35/97/1342963597.db2.gz RNPOGRGPEXZBJC-KRWDZBQOSA-N 2 0 347.478 2.449 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001570006597 1342997178 /nfs/dbraw/zinc/99/71/78/1342997178.db2.gz QDDDWAMQPQQPFY-QGZVFWFLSA-N 2 0 346.519 2.388 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)CCC1 ZINC001570040425 1343003070 /nfs/dbraw/zinc/00/30/70/1343003070.db2.gz QLCKJWJYECMSMJ-LZCSDRCQSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001570626545 1343093749 /nfs/dbraw/zinc/09/37/49/1343093749.db2.gz FEXRMIWLUZQQMH-CHWSQXEVSA-N 2 0 326.872 2.060 10 0 EEAERP CCOCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001571395033 1343203477 /nfs/dbraw/zinc/20/34/77/1343203477.db2.gz XMPWSOLVSPNGNO-AWEZNQCLSA-N 2 0 332.448 2.119 10 0 EEAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1cccnc1 ZINC001676893471 1357235284 /nfs/dbraw/zinc/23/52/84/1357235284.db2.gz JPRJARABZLOOKI-WMZOPIPTSA-N 2 0 332.492 2.283 10 0 EEAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001677643712 1357381869 /nfs/dbraw/zinc/38/18/69/1357381869.db2.gz XFUDDKQVDZRYLF-KRWDZBQOSA-N 2 0 333.451 2.283 10 0 EEAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC[NH+](C)Cc3ccccc3)C[N@@H+]2C1 ZINC001646935689 1353057493 /nfs/dbraw/zinc/05/74/93/1353057493.db2.gz OGOLTXWJEXHPAN-QRQLOZEOSA-N 2 0 329.488 2.355 10 0 EEAERP c1cc2c(c(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)c1)OCC[NH2+]C2 ZINC001647546149 1353320379 /nfs/dbraw/zinc/32/03/79/1353320379.db2.gz KJRYSLRPADJSKS-OAHLLOKOSA-N 2 0 326.400 2.028 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001649462089 1353518155 /nfs/dbraw/zinc/51/81/55/1353518155.db2.gz GBHSWCBDGSRAFX-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)nn1 ZINC001650052988 1353702447 /nfs/dbraw/zinc/70/24/47/1353702447.db2.gz ZTOVCMUBMNWSLE-UHFFFAOYSA-N 2 0 332.492 2.418 10 0 EEAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001656862959 1354287142 /nfs/dbraw/zinc/28/71/42/1354287142.db2.gz DIESZVSANSMNOK-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001657007205 1354309254 /nfs/dbraw/zinc/30/92/54/1354309254.db2.gz LZHWIZOVHQDIKM-FGTMMUONSA-N 2 0 339.524 2.255 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCc2ccccc21 ZINC001660146880 1354403755 /nfs/dbraw/zinc/40/37/55/1354403755.db2.gz TUNWFMZJHBUNFX-WOJBJXKFSA-N 2 0 341.499 2.454 10 0 EEAERP COC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001660277586 1354429489 /nfs/dbraw/zinc/42/94/89/1354429489.db2.gz IBNJMBWBSHORFF-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)Cc1c[nH]cn1 ZINC001660314051 1354438025 /nfs/dbraw/zinc/43/80/25/1354438025.db2.gz ZVMPBDOFXOUEFZ-GFCCVEGCSA-N 2 0 336.386 2.430 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001660369194 1354450917 /nfs/dbraw/zinc/45/09/17/1354450917.db2.gz RKCFRJCUZOYDJZ-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(F)c(Cl)c1 ZINC001660395184 1354456151 /nfs/dbraw/zinc/45/61/51/1354456151.db2.gz BJCRXDMUCSQBJO-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660627578 1354504219 /nfs/dbraw/zinc/50/42/19/1354504219.db2.gz AFCVJXOMDPBDAK-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1cc(C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)sn1 ZINC001660660545 1354511588 /nfs/dbraw/zinc/51/15/88/1354511588.db2.gz SLQOUGMAHSJBME-INIZCTEOSA-N 2 0 336.505 2.016 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001661842608 1354707122 /nfs/dbraw/zinc/70/71/22/1354707122.db2.gz QOPIFJQEZHJDSB-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2c[nH]ccc-2n1 ZINC001661930024 1354724628 /nfs/dbraw/zinc/72/46/28/1354724628.db2.gz PCKZDGGZRQMNGZ-HNNXBMFYSA-N 2 0 330.432 2.184 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001662308098 1354778462 /nfs/dbraw/zinc/77/84/62/1354778462.db2.gz AMAVGUWOCPDKCW-YJBOKZPZSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCc1ccccc1 ZINC001662314999 1354779777 /nfs/dbraw/zinc/77/97/77/1354779777.db2.gz SMNLPMWFANXVAV-LNLFQRSKSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001663105268 1354915544 /nfs/dbraw/zinc/91/55/44/1354915544.db2.gz SFHCILRJROKYAN-RDJZCZTQSA-N 2 0 348.491 2.186 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001663113349 1354918464 /nfs/dbraw/zinc/91/84/64/1354918464.db2.gz AWOIRPDOMYBZQF-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1cncs1 ZINC001663124487 1354924093 /nfs/dbraw/zinc/92/40/93/1354924093.db2.gz XOEBYAPAZGHNHN-OAHLLOKOSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001664036512 1355078839 /nfs/dbraw/zinc/07/88/39/1355078839.db2.gz JHUIWKIEVPTGGG-MRXNPFEDSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664309175 1355135435 /nfs/dbraw/zinc/13/54/35/1355135435.db2.gz IHQVYQRFDTURBZ-KRWDZBQOSA-N 2 0 347.503 2.364 10 0 EEAERP COCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001664442287 1355165435 /nfs/dbraw/zinc/16/54/35/1355165435.db2.gz KTBGAKHXCOOKFC-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001666115595 1355456059 /nfs/dbraw/zinc/45/60/59/1355456059.db2.gz SJSYFTMNIDDHQS-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001666218936 1355487394 /nfs/dbraw/zinc/48/73/94/1355487394.db2.gz HPMCRXBVQFNMEK-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001666302943 1355506406 /nfs/dbraw/zinc/50/64/06/1355506406.db2.gz UPSCFLBYHXXGBF-ULQDDVLXSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)no1 ZINC001667278749 1355696359 /nfs/dbraw/zinc/69/63/59/1355696359.db2.gz DDOLMGNCMZUBQK-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001667354005 1355718822 /nfs/dbraw/zinc/71/88/22/1355718822.db2.gz ZJMQIMLYXWSIPP-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCOC(C)C)C1 ZINC001667693658 1355789994 /nfs/dbraw/zinc/78/99/94/1355789994.db2.gz JODCBUQSHIOHII-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)cs1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668651872 1355979670 /nfs/dbraw/zinc/97/96/70/1355979670.db2.gz ADCAGAJRNMJVAU-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828224 1356015167 /nfs/dbraw/zinc/01/51/67/1356015167.db2.gz OGTGIQCIHJFAOS-STOZHHMFSA-N 2 0 349.425 2.069 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)cc1F ZINC001668865495 1356028358 /nfs/dbraw/zinc/02/83/58/1356028358.db2.gz YQFTXQQFBQWHLF-SNAWJCMRSA-N 2 0 349.450 2.081 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668881937 1356033045 /nfs/dbraw/zinc/03/30/45/1356033045.db2.gz BYEJLKJRXSGRFM-HSSFLUBNSA-N 2 0 341.446 2.311 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cncc(F)c1 ZINC001669075320 1356085263 /nfs/dbraw/zinc/08/52/63/1356085263.db2.gz OMYYFSBJNHOFMA-XDXAGZTOSA-N 2 0 348.466 2.246 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001669118550 1356098981 /nfs/dbraw/zinc/09/89/81/1356098981.db2.gz NSGMDRBSSVWSFM-ONEGZZNKSA-N 2 0 343.462 2.414 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001669201130 1356122982 /nfs/dbraw/zinc/12/29/82/1356122982.db2.gz MNVWTJMQARIGTL-IKSUFZCESA-N 2 0 329.488 2.364 10 0 EEAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCc2ccns2)ccc2c[nH+]cn21 ZINC001669336071 1356146783 /nfs/dbraw/zinc/14/67/83/1356146783.db2.gz CUEYDQUYUHAZIO-GFCCVEGCSA-N 2 0 343.456 2.050 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001670246143 1356304013 /nfs/dbraw/zinc/30/40/13/1356304013.db2.gz PQAXRJNYAUHDPC-INIZCTEOSA-N 2 0 347.503 2.284 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001671414992 1356335474 /nfs/dbraw/zinc/33/54/74/1356335474.db2.gz IRANHVQKVQSFKT-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671678168 1356392684 /nfs/dbraw/zinc/39/26/84/1356392684.db2.gz JBWDXGBNGQAWLS-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673238236 1356656319 /nfs/dbraw/zinc/65/63/19/1356656319.db2.gz NYVWBHRBBHOHNK-HZPDHXFCSA-N 2 0 337.508 2.057 10 0 EEAERP O=C(NC1(C[NH2+]CCF)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001675185490 1356943442 /nfs/dbraw/zinc/94/34/42/1356943442.db2.gz XXMXAJJYNISRJX-JKSUJKDBSA-N 2 0 325.472 2.382 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698755911 1405044917 /nfs/dbraw/zinc/04/49/17/1405044917.db2.gz VSCUNIJDTDTLGX-HIFRSBDPSA-N 2 0 338.883 2.061 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001698791962 1405067373 /nfs/dbraw/zinc/06/73/73/1405067373.db2.gz ICRFMJDFEPKXMS-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001698922136 1405163612 /nfs/dbraw/zinc/16/36/12/1405163612.db2.gz BRDCZEUPRSCKJE-MJGOQNOKSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699101407 1405254531 /nfs/dbraw/zinc/25/45/31/1405254531.db2.gz WJRBNPWEQISEJA-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699263142 1405305274 /nfs/dbraw/zinc/30/52/74/1405305274.db2.gz VFNNVTZVNDIYTB-CRLUXQHQSA-N 2 0 348.491 2.038 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl)[NH+](C)C ZINC001699366206 1405342398 /nfs/dbraw/zinc/34/23/98/1405342398.db2.gz FGPSAIXUSQMLRC-AGIUHOORSA-N 2 0 338.323 2.251 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001699839893 1405519455 /nfs/dbraw/zinc/51/94/55/1405519455.db2.gz YNRMSKNWSQNNBP-CUGXLUPKSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000920658549 770819077 /nfs/dbraw/zinc/81/90/77/770819077.db2.gz FHDPBXMKGHCRMW-FBVQUNGASA-N 2 0 336.524 2.373 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674230 790366841 /nfs/dbraw/zinc/36/68/41/790366841.db2.gz KTUQPCDUAYXNBK-RBUKOAKNSA-N 2 0 342.487 2.298 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817930457 785110879 /nfs/dbraw/zinc/11/08/79/785110879.db2.gz BSJYTXGXGLNCMW-GOEBONIOSA-N 2 0 335.448 2.438 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3ccccc3Cl)C2)CC1 ZINC000819054183 785378178 /nfs/dbraw/zinc/37/81/78/785378178.db2.gz OEZDJVMOATYNJC-KSSFIOAISA-N 2 0 337.895 2.132 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000923170660 789048601 /nfs/dbraw/zinc/04/86/01/789048601.db2.gz LFKGFJOTTZZFTB-DLBZAZTESA-N 2 0 347.507 2.246 10 0 EEAERP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1OC ZINC000923301795 789336369 /nfs/dbraw/zinc/33/63/69/789336369.db2.gz XUMJZVGVEOIZBT-HOTGVXAUSA-N 2 0 332.444 2.219 10 0 EEAERP CN(C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000923427740 789528698 /nfs/dbraw/zinc/52/86/98/789528698.db2.gz VLEUKLKYLIQIHT-VQTJNVASSA-N 2 0 343.515 2.351 10 0 EEAERP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923495924 789653355 /nfs/dbraw/zinc/65/33/55/789653355.db2.gz GEMRASWBQFXBEP-QFBILLFUSA-N 2 0 347.503 2.145 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923491502 789662431 /nfs/dbraw/zinc/66/24/31/789662431.db2.gz IFSBKPZVBNSWSD-RBSFLKMASA-N 2 0 326.868 2.305 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921604250 789826257 /nfs/dbraw/zinc/82/62/57/789826257.db2.gz QBPMJWMBKIBEHV-YTQUADARSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC000921617967 789933958 /nfs/dbraw/zinc/93/39/58/789933958.db2.gz UUUYIFPMUZOYEK-FCCDEINASA-N 2 0 336.524 2.421 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000913946046 794625757 /nfs/dbraw/zinc/62/57/57/794625757.db2.gz GADWXBOPXXGVGT-QAPCUYQASA-N 2 0 332.492 2.420 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000914023918 794757840 /nfs/dbraw/zinc/75/78/40/794757840.db2.gz MYYYTXYTUCLBFO-CRAIPNDOSA-N 2 0 332.492 2.419 10 0 EEAERP OCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000716647150 796404487 /nfs/dbraw/zinc/40/44/87/796404487.db2.gz ABUVUMWVUXADFN-UFYCRDLUSA-N 2 0 344.499 2.418 10 0 EEAERP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000925441438 798306681 /nfs/dbraw/zinc/30/66/81/798306681.db2.gz PNVWBMQIVJIKHM-RTBURBONSA-N 2 0 347.503 2.129 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000922077352 798832356 /nfs/dbraw/zinc/83/23/56/798832356.db2.gz OPUUADPQSMTVFE-MJGOQNOKSA-N 2 0 330.476 2.044 10 0 EEAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000922846867 802049360 /nfs/dbraw/zinc/04/93/60/802049360.db2.gz RLFIZBXKHFBRPO-HXUWFJFHSA-N 2 0 345.487 2.458 10 0 EEAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001565978216 1125480508 /nfs/dbraw/zinc/48/05/08/1125480508.db2.gz XBMLGAFZPKMLFL-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cccnc1C ZINC001566554451 1125725039 /nfs/dbraw/zinc/72/50/39/1125725039.db2.gz FTCHLDAQFCMYFU-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001436400912 1087748318 /nfs/dbraw/zinc/74/83/18/1087748318.db2.gz CUJXTNVGDPJGFH-BQFCYCMXSA-N 2 0 345.487 2.336 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001436404095 1087752470 /nfs/dbraw/zinc/75/24/70/1087752470.db2.gz PYBWJHKSGFLPQI-JYJNAYRXSA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436902613 1088557013 /nfs/dbraw/zinc/55/70/13/1088557013.db2.gz NZHBZEJBKYSCPL-JYJNAYRXSA-N 2 0 348.491 2.409 10 0 EEAERP Cc1csc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)n1 ZINC001436977375 1088673568 /nfs/dbraw/zinc/67/35/68/1088673568.db2.gz KRHLCZFRSUZTDS-GASCZTMLSA-N 2 0 336.505 2.064 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](CCF)C1)c1ccccc1 ZINC001437015874 1088799853 /nfs/dbraw/zinc/79/98/53/1088799853.db2.gz YCDRHXOABCHRMI-AEFFLSMTSA-N 2 0 335.467 2.477 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437057935 1088957142 /nfs/dbraw/zinc/95/71/42/1088957142.db2.gz DRJLXTDFFNCBPG-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001437326343 1089494326 /nfs/dbraw/zinc/49/43/26/1089494326.db2.gz KGFHIALSXSHSCY-ROUUACIJSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1 ZINC001437370606 1089609526 /nfs/dbraw/zinc/60/95/26/1089609526.db2.gz HBGJSOVJOZBDDN-RDTXWAMCSA-N 2 0 333.451 2.152 10 0 EEAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCc1ccccc1Cl ZINC001437542778 1089998029 /nfs/dbraw/zinc/99/80/29/1089998029.db2.gz VAQIIPFSVPAQQH-OAHLLOKOSA-N 2 0 337.895 2.272 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)Cc1cccnc1 ZINC001437750186 1090316059 /nfs/dbraw/zinc/31/60/59/1090316059.db2.gz ILZSJXYVUYLMJB-UHFFFAOYSA-N 2 0 344.503 2.286 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001437949410 1090545442 /nfs/dbraw/zinc/54/54/42/1090545442.db2.gz RHYRFUUVXKBJBB-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001437982891 1090574891 /nfs/dbraw/zinc/57/48/91/1090574891.db2.gz VTWPRANFTRUCIT-SOUVJXGZSA-N 2 0 349.441 2.449 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001438281923 1090765985 /nfs/dbraw/zinc/76/59/85/1090765985.db2.gz INMLZDNBWGFZKV-MOPGFXCFSA-N 2 0 329.488 2.254 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438331225 1090805248 /nfs/dbraw/zinc/80/52/48/1090805248.db2.gz KNPIJPKANDHHHH-AEFFLSMTSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)[C@H]3CCC[N@H+]3C)CCCC2)s1 ZINC001438386325 1090871619 /nfs/dbraw/zinc/87/16/19/1090871619.db2.gz TYIGJCOTVLYKKG-OAHLLOKOSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@@](C[NH2+]CC1CC(F)(F)C1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438429725 1090927474 /nfs/dbraw/zinc/92/74/74/1090927474.db2.gz UTDMYEBCQYJXRH-INIZCTEOSA-N 2 0 329.435 2.002 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nc2ccccc2o1 ZINC001438557570 1091049388 /nfs/dbraw/zinc/04/93/88/1091049388.db2.gz YUKDSWIDKVWLML-AWEZNQCLSA-N 2 0 332.448 2.010 10 0 EEAERP Cc1nc(CNC2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCCC2)co1 ZINC001438597578 1091086142 /nfs/dbraw/zinc/08/61/42/1091086142.db2.gz QAMKOJGLVGWISX-KRWDZBQOSA-N 2 0 348.491 2.376 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001438611204 1091100265 /nfs/dbraw/zinc/10/02/65/1091100265.db2.gz JTJWRHKOMQYPLF-UHFFFAOYSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)C[NH+]1CCCC1 ZINC001438718536 1091243749 /nfs/dbraw/zinc/24/37/49/1091243749.db2.gz GJXNNODVJIELTB-AWEZNQCLSA-N 2 0 346.500 2.329 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438723300 1091251546 /nfs/dbraw/zinc/25/15/46/1091251546.db2.gz QQIZHNVEBKYHFH-GXTWGEPZSA-N 2 0 341.858 2.367 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001438727128 1091259839 /nfs/dbraw/zinc/25/98/39/1091259839.db2.gz PRDLDYMSBYHCMV-MJGOQNOKSA-N 2 0 347.503 2.410 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCc1nc2c(o1)CCCC2 ZINC001445494789 1091271470 /nfs/dbraw/zinc/27/14/70/1091271470.db2.gz BSRQQRAKGZHPDU-ZBFHGGJFSA-N 2 0 348.491 2.022 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445606692 1091401783 /nfs/dbraw/zinc/40/17/83/1091401783.db2.gz RJBHXJGCDGKVDJ-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC(C)(C)C1 ZINC001438807516 1091418200 /nfs/dbraw/zinc/41/82/00/1091418200.db2.gz FMWYBJPNJYBRID-ZWKOTPCHSA-N 2 0 335.536 2.495 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ocnc1C)c1ccccc1 ZINC001445642412 1091430960 /nfs/dbraw/zinc/43/09/60/1091430960.db2.gz HMJYLFVHGJNOJB-KBXCAEBGSA-N 2 0 344.459 2.270 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438856739 1091492228 /nfs/dbraw/zinc/49/22/28/1091492228.db2.gz SYXMSMSOBXZPGO-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001439109417 1091754825 /nfs/dbraw/zinc/75/48/25/1091754825.db2.gz MTKJSHXOUUNFLP-BFYDXBDKSA-N 2 0 332.492 2.140 10 0 EEAERP CCCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001439132862 1091776779 /nfs/dbraw/zinc/77/67/79/1091776779.db2.gz WSBLEDYXEWAUII-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439405374 1092164932 /nfs/dbraw/zinc/16/49/32/1092164932.db2.gz GYOMSXMIHZRVOF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccnc1)[NH+]1CCCC1 ZINC001439407741 1092170145 /nfs/dbraw/zinc/17/01/45/1092170145.db2.gz NCJBYLLUWKDBIY-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ocnc2C)C2CC2)C1 ZINC001439475068 1092270795 /nfs/dbraw/zinc/27/07/95/1092270795.db2.gz VDNOMMQGCZAIAD-SJORKVTESA-N 2 0 348.491 2.089 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001439499013 1092330647 /nfs/dbraw/zinc/33/06/47/1092330647.db2.gz SMDPGBIVKDOKKG-KRWDZBQOSA-N 2 0 335.879 2.420 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC001439515949 1092360367 /nfs/dbraw/zinc/36/03/67/1092360367.db2.gz QMUQJWSFZFXFOB-PKOBYXMFSA-N 2 0 347.503 2.364 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc2cc[nH]c2c1 ZINC001439563461 1092443090 /nfs/dbraw/zinc/44/30/90/1092443090.db2.gz SHLAAXNHMSBXQL-QGZVFWFLSA-N 2 0 328.460 2.200 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001439678210 1092618926 /nfs/dbraw/zinc/61/89/26/1092618926.db2.gz RGFJQWKIPVFHKM-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cnc(C)o1)C1CCCC1)[NH+](C)C ZINC001439815421 1092790370 /nfs/dbraw/zinc/79/03/70/1092790370.db2.gz RAHOERVWRYLFKS-DLBZAZTESA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(COC)cc2)C1 ZINC001439857717 1092885491 /nfs/dbraw/zinc/88/54/91/1092885491.db2.gz XGKTYFRIWOQDEY-HXUWFJFHSA-N 2 0 347.503 2.255 10 0 EEAERP CC[C@H](C(=O)NCC1(C)CC[NH+](Cc2cncs2)CC1)[NH+](C)C ZINC001439913395 1092987024 /nfs/dbraw/zinc/98/70/24/1092987024.db2.gz RUIONNBGJDLFOP-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ncccc1C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001439923326 1093002518 /nfs/dbraw/zinc/00/25/18/1093002518.db2.gz MAWAAHVXWOXFPG-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001440135220 1093201293 /nfs/dbraw/zinc/20/12/93/1093201293.db2.gz KLKMJKKQZCYVJF-DOTOQJQBSA-N 2 0 335.467 2.352 10 0 EEAERP CN(CCF)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001440216057 1093288976 /nfs/dbraw/zinc/28/89/76/1093288976.db2.gz UDCHLZVTQNPUAK-GOSISDBHSA-N 2 0 333.451 2.046 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCc2cccc3c2CC[NH+](CCCF)C3)C1 ZINC001440262600 1093367366 /nfs/dbraw/zinc/36/73/66/1093367366.db2.gz RBDCRXJHHIFGPB-INIZCTEOSA-N 2 0 347.478 2.362 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21)c1ccccc1 ZINC001448433587 1093445787 /nfs/dbraw/zinc/44/57/87/1093445787.db2.gz FAAMZGYRWLBKAL-AKHDSKFASA-N 2 0 329.488 2.382 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001440399400 1093581478 /nfs/dbraw/zinc/58/14/78/1093581478.db2.gz YDGWGKVYOZTYQF-IRXDYDNUSA-N 2 0 348.491 2.328 10 0 EEAERP CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001440418894 1093612944 /nfs/dbraw/zinc/61/29/44/1093612944.db2.gz CVXGFXQVKGXEPG-QZTJIDSGSA-N 2 0 329.488 2.465 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2OC)[C@@H]1C ZINC001440496384 1093735817 /nfs/dbraw/zinc/73/58/17/1093735817.db2.gz LVFAFFLTXPWUOZ-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001440590658 1093856523 /nfs/dbraw/zinc/85/65/23/1093856523.db2.gz CYBBMAJNCQDWGQ-SUMWQHHRSA-N 2 0 339.430 2.242 10 0 EEAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1)OC ZINC001440612106 1093878557 /nfs/dbraw/zinc/87/85/57/1093878557.db2.gz AFRCUARZGRMTIM-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CC1([NH2+]Cc2ccon2)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001440612995 1093880032 /nfs/dbraw/zinc/88/00/32/1093880032.db2.gz JCGULOXAPUBGFN-UHFFFAOYSA-N 2 0 348.491 2.411 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccnc2)CC1(C)C ZINC001440626802 1093897572 /nfs/dbraw/zinc/89/75/72/1093897572.db2.gz UOWGAZUABQJMLF-KRWDZBQOSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC2(C)C)sn1 ZINC001449072988 1094087868 /nfs/dbraw/zinc/08/78/68/1094087868.db2.gz BZXSMIOAXLDCLH-HNNXBMFYSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001440843003 1094100216 /nfs/dbraw/zinc/10/02/16/1094100216.db2.gz PFJQDVJOMGRRBB-KGLIPLIRSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001440964799 1094222059 /nfs/dbraw/zinc/22/20/59/1094222059.db2.gz ANGYOFZJZHBDII-GDBMZVCRSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)N(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449282112 1094231020 /nfs/dbraw/zinc/23/10/20/1094231020.db2.gz WDHZYGOQFFBLSJ-HNNXBMFYSA-N 2 0 331.451 2.152 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001449366639 1094332794 /nfs/dbraw/zinc/33/27/94/1094332794.db2.gz HAXYMBAUUFJLMQ-DFGFTWQDSA-N 2 0 327.900 2.440 10 0 EEAERP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)cs1 ZINC001449381985 1094353628 /nfs/dbraw/zinc/35/36/28/1094353628.db2.gz AWLICMKMYAQTRN-UHFFFAOYSA-N 2 0 338.521 2.126 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnc(Cl)s2)C1)[NH+](C)C ZINC001449399364 1094379607 /nfs/dbraw/zinc/37/96/07/1094379607.db2.gz GOVCADVHQZNEJN-GCZXYKMCSA-N 2 0 344.912 2.216 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001449405082 1094385610 /nfs/dbraw/zinc/38/56/10/1094385610.db2.gz VXBHTJYYAUKZCQ-UHFFFAOYSA-N 2 0 329.488 2.499 10 0 EEAERP COCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001441097007 1094396591 /nfs/dbraw/zinc/39/65/91/1094396591.db2.gz YWUVEGQKCJSJGL-GOSISDBHSA-N 2 0 345.487 2.008 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]C[C@H]2CCCCO2)CCCCC1 ZINC001441107166 1094417091 /nfs/dbraw/zinc/41/70/91/1094417091.db2.gz HXVYOKPFRPWALG-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001441411485 1094990587 /nfs/dbraw/zinc/99/05/87/1094990587.db2.gz ROJMUZQPOYZRPS-QZTJIDSGSA-N 2 0 332.492 2.186 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH+](C/C=C/Cl)C[C@H]21)c1ccccc1 ZINC001441728601 1095707696 /nfs/dbraw/zinc/70/76/96/1095707696.db2.gz CSVIGZRRCQLMHJ-YELIHUTLSA-N 2 0 347.890 2.478 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC001441757673 1095751559 /nfs/dbraw/zinc/75/15/59/1095751559.db2.gz NELUQXFETSUAAF-UHFFFAOYSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H]1[C@H]([NH2+]CC2CCC(F)(F)CC2)CCN1C(=O)CC[NH+](C)C ZINC001441826318 1095873176 /nfs/dbraw/zinc/87/31/76/1095873176.db2.gz PMVYDAUDVYZJQJ-DZGCQCFKSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1cccc(F)c1 ZINC001441871730 1095986460 /nfs/dbraw/zinc/98/64/60/1095986460.db2.gz SYSJAOFBWVVGNU-OAHLLOKOSA-N 2 0 333.451 2.296 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCC1CCOCC1 ZINC001441913495 1096089937 /nfs/dbraw/zinc/08/99/37/1096089937.db2.gz YGIPPRKPUARNOQ-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cnc(C)s2)C(C)(C)C1 ZINC001441938566 1096131794 /nfs/dbraw/zinc/13/17/94/1096131794.db2.gz SGJJCDIICGRDSX-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001441949176 1096148854 /nfs/dbraw/zinc/14/88/54/1096148854.db2.gz KTSVTYROKGTZFC-CVEARBPZSA-N 2 0 346.519 2.450 10 0 EEAERP CCOC1CC(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)C1 ZINC001442172764 1096437667 /nfs/dbraw/zinc/43/76/67/1096437667.db2.gz IXNCFUXZFBJETI-OFLPRAFFSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001442228567 1096526894 /nfs/dbraw/zinc/52/68/94/1096526894.db2.gz XRRAHDUMBKXMTM-UONOGXRCSA-N 2 0 337.430 2.352 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nccs1 ZINC001442310694 1096626883 /nfs/dbraw/zinc/62/68/83/1096626883.db2.gz XTNWQKJGMHPYFZ-HUUCEWRRSA-N 2 0 338.521 2.390 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2cccc(F)c2)C1 ZINC001442580956 1096946465 /nfs/dbraw/zinc/94/64/65/1096946465.db2.gz YMDVGRGPQDCECF-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP COc1ccc(C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001442619021 1096988390 /nfs/dbraw/zinc/98/83/90/1096988390.db2.gz KIJUKDQWDYJOQD-LJQANCHMSA-N 2 0 347.503 2.364 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001442833767 1097225634 /nfs/dbraw/zinc/22/56/34/1097225634.db2.gz WMLFHNJOXWKWBD-HXUWFJFHSA-N 2 0 341.499 2.352 10 0 EEAERP O=C(NCCN(Cc1ccccn1)C1CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001443016029 1097428261 /nfs/dbraw/zinc/42/82/61/1097428261.db2.gz KIEPGVYNWSFTIN-MOPGFXCFSA-N 2 0 342.487 2.179 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)C/C=C\Cl)C2)CC[N@@H+]1C ZINC001443319490 1097807610 /nfs/dbraw/zinc/80/76/10/1097807610.db2.gz FFELIAZCSDGLKV-FHWULYQBSA-N 2 0 327.900 2.250 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001443417252 1097918803 /nfs/dbraw/zinc/91/88/03/1097918803.db2.gz KQFPAXZLTMYRPW-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001443423383 1097923840 /nfs/dbraw/zinc/92/38/40/1097923840.db2.gz WXRJLSIHDCCTGP-HUUCEWRRSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001443984183 1098501013 /nfs/dbraw/zinc/50/10/13/1098501013.db2.gz KCHPPTQLBDNQPS-JSGCOSHPSA-N 2 0 327.419 2.462 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nc2ccccc2o1 ZINC001443992555 1098507537 /nfs/dbraw/zinc/50/75/37/1098507537.db2.gz ZYAPYMGNBSCOAN-LSDHHAIUSA-N 2 0 344.459 2.154 10 0 EEAERP Cc1ncoc1C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001444074167 1098598685 /nfs/dbraw/zinc/59/86/85/1098598685.db2.gz UHOSEQCYWKEJJQ-INIZCTEOSA-N 2 0 348.491 2.376 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1C/C=C\Cl ZINC001479618986 1098644528 /nfs/dbraw/zinc/64/45/28/1098644528.db2.gz WJLAFDDQQVGFQE-NSDSPUJPSA-N 2 0 339.911 2.250 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001444144236 1098683845 /nfs/dbraw/zinc/68/38/45/1098683845.db2.gz VOAHHKTVHBPFAB-BEFAXECRSA-N 2 0 333.451 2.152 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001444218623 1098779044 /nfs/dbraw/zinc/77/90/44/1098779044.db2.gz IMGNYWFTEKBWSF-INIZCTEOSA-N 2 0 327.488 2.295 10 0 EEAERP COC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001479736646 1098846381 /nfs/dbraw/zinc/84/63/81/1098846381.db2.gz MWEJVQCJRJRWAB-HOTGVXAUSA-N 2 0 344.459 2.296 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001444392037 1098985062 /nfs/dbraw/zinc/98/50/62/1098985062.db2.gz VWNOBJDXOBJROB-SJKOYZFVSA-N 2 0 339.430 2.246 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001444448823 1099092758 /nfs/dbraw/zinc/09/27/58/1099092758.db2.gz JCSXYUFHFVRDEO-KRWDZBQOSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ocnc2C)CCCC1 ZINC001444504200 1099237785 /nfs/dbraw/zinc/23/77/85/1099237785.db2.gz WYPFQKSARCKQGS-INIZCTEOSA-N 2 0 348.491 2.376 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCOC(C)C)C2)CC[N@@H+]1C ZINC001479903807 1099287815 /nfs/dbraw/zinc/28/78/15/1099287815.db2.gz ICPVUEYQSQXSBR-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC001444540014 1099320028 /nfs/dbraw/zinc/32/00/28/1099320028.db2.gz YAEFXGUWBSLBAU-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001444591312 1099416481 /nfs/dbraw/zinc/41/64/81/1099416481.db2.gz CIBQSNZWXJMTEN-HIFRSBDPSA-N 2 0 331.451 2.341 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001444630104 1099457242 /nfs/dbraw/zinc/45/72/42/1099457242.db2.gz BAUOMYLAYRUNFW-HNNXBMFYSA-N 2 0 348.491 2.050 10 0 EEAERP COc1ccc(Cl)c(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001444660509 1099497994 /nfs/dbraw/zinc/49/79/94/1099497994.db2.gz BXBZAYKSCCOPNF-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001480065991 1099598632 /nfs/dbraw/zinc/59/86/32/1099598632.db2.gz LTHXJUIXCJHGAR-ROUUACIJSA-N 2 0 348.466 2.080 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001480088410 1099647536 /nfs/dbraw/zinc/64/75/36/1099647536.db2.gz YXAIIBWNNBITOZ-KGLIPLIRSA-N 2 0 335.414 2.061 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480117764 1099681842 /nfs/dbraw/zinc/68/18/42/1099681842.db2.gz AGGLBSKYQCKNEB-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444814161 1099740649 /nfs/dbraw/zinc/74/06/49/1099740649.db2.gz KZNVHKFOWTUCFG-CHWSQXEVSA-N 2 0 336.307 2.474 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480208197 1099816435 /nfs/dbraw/zinc/81/64/35/1099816435.db2.gz QRAOEOVHXCGADX-SOLBZPMBSA-N 2 0 337.508 2.055 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001480302633 1100020935 /nfs/dbraw/zinc/02/09/35/1100020935.db2.gz LYPFOOVSUYPYSG-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP O=C(NC[C@@H]1CCCC[N@H+]1CCCCCF)[C@@H]1C[NH+]2CCC1CC2 ZINC001480315678 1100049922 /nfs/dbraw/zinc/04/99/22/1100049922.db2.gz ILVBAKOXGLHUFX-ZWKOTPCHSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001480352090 1100122092 /nfs/dbraw/zinc/12/20/92/1100122092.db2.gz QLZBDLWXIDKSNV-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc(C[NH2+]C2CCC(NC(=O)C[C@@H](C)n3ccnc3)CC2)o1 ZINC001480408489 1100223592 /nfs/dbraw/zinc/22/35/92/1100223592.db2.gz PJHANVUOYMQQGA-IUDNXUCKSA-N 2 0 345.447 2.348 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001446414769 1100823904 /nfs/dbraw/zinc/82/39/04/1100823904.db2.gz CIZVKHAULOLIQE-HIFRSBDPSA-N 2 0 338.521 2.261 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)[C@@H](C)C1 ZINC001496376230 1100968374 /nfs/dbraw/zinc/96/83/74/1100968374.db2.gz PNOVHMLOAYQUBC-HOCLYGCPSA-N 2 0 348.491 2.219 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297109 1100997310 /nfs/dbraw/zinc/99/73/10/1100997310.db2.gz DVJNYLQFLALMKY-QRWLVFNGSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495297104 1100997433 /nfs/dbraw/zinc/99/74/33/1100997433.db2.gz DVJNYLQFLALMKY-MGPUTAFESA-N 2 0 347.478 2.460 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@H](C)c1ncccn1 ZINC001496428467 1101020259 /nfs/dbraw/zinc/02/02/59/1101020259.db2.gz OTRMCBBZDPLHEB-SJORKVTESA-N 2 0 347.507 2.239 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001495473913 1101184377 /nfs/dbraw/zinc/18/43/77/1101184377.db2.gz CMJIEYXOZQUAGG-BRSBDYLESA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001446722257 1101291731 /nfs/dbraw/zinc/29/17/31/1101291731.db2.gz CPQPHMMIMFSBOX-JKSUJKDBSA-N 2 0 345.478 2.448 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001446945792 1101636419 /nfs/dbraw/zinc/63/64/19/1101636419.db2.gz OSFOGXGYSNYSLY-DLBZAZTESA-N 2 0 349.523 2.131 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446945755 1101636727 /nfs/dbraw/zinc/63/67/27/1101636727.db2.gz UUBWHESFLPUMQF-OXQOHEQNSA-N 2 0 343.515 2.454 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001496923371 1101725280 /nfs/dbraw/zinc/72/52/80/1101725280.db2.gz MXBCTOVBVLSUIU-HOCLYGCPSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496060047 1101993444 /nfs/dbraw/zinc/99/34/44/1101993444.db2.gz DHPXYZORPLXDQZ-KZNAEPCWSA-N 2 0 347.503 2.151 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496093367 1102044369 /nfs/dbraw/zinc/04/43/69/1102044369.db2.gz HPHRQTZVUTUMCI-CRAIPNDOSA-N 2 0 335.467 2.289 10 0 EEAERP COCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001496092591 1102044601 /nfs/dbraw/zinc/04/46/01/1102044601.db2.gz DUAQEXUOKGTEFW-VQIMIIECSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001496156458 1102148449 /nfs/dbraw/zinc/14/84/49/1102148449.db2.gz YRLUIIYGZPAOKF-IAGOWNOFSA-N 2 0 343.515 2.454 10 0 EEAERP CC1(C)CO[C@@H](C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)C1 ZINC001447236743 1102257131 /nfs/dbraw/zinc/25/71/31/1102257131.db2.gz XKWWYLSYNIILSO-MRXNPFEDSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001447322347 1102444965 /nfs/dbraw/zinc/44/49/65/1102444965.db2.gz RNUAAMWDDVRDEX-RBUKOAKNSA-N 2 0 347.503 2.031 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497454752 1102515474 /nfs/dbraw/zinc/51/54/74/1102515474.db2.gz NUOZWEIUFGCPTG-OAHLLOKOSA-N 2 0 335.467 2.414 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccn1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595934 1102723237 /nfs/dbraw/zinc/72/32/37/1102723237.db2.gz HRGVAFCNFAIKID-ZMBJWTFHSA-N 2 0 342.487 2.251 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497611402 1102747537 /nfs/dbraw/zinc/74/75/37/1102747537.db2.gz JBFZMKOMQXKIIE-YSKLNCTFSA-N 2 0 327.472 2.466 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001447567820 1102878749 /nfs/dbraw/zinc/87/87/49/1102878749.db2.gz JRHZNNHQZQZZHL-UHFFFAOYSA-N 2 0 348.491 2.363 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001497690850 1102911169 /nfs/dbraw/zinc/91/11/69/1102911169.db2.gz IIXFDBRHSPUSJJ-HPFMTEOYSA-N 2 0 348.491 2.316 10 0 EEAERP CC[N@H+](CCOC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001447737844 1103203482 /nfs/dbraw/zinc/20/34/82/1103203482.db2.gz PAMSXOQXUJDNKF-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494029787 1103385892 /nfs/dbraw/zinc/38/58/92/1103385892.db2.gz MSIGVQRHUSGLOO-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1C ZINC001447872600 1103488287 /nfs/dbraw/zinc/48/82/87/1103488287.db2.gz SCWADCUMPVCZIR-CVEARBPZSA-N 2 0 347.503 2.471 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001447920617 1103601415 /nfs/dbraw/zinc/60/14/15/1103601415.db2.gz OIGGVZUUVNSTAZ-CHWSQXEVSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1ccc(C)c(OCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001448141646 1104093811 /nfs/dbraw/zinc/09/38/11/1104093811.db2.gz ARLCQIXUBSYXEP-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1cccnc1C[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001448310424 1104363581 /nfs/dbraw/zinc/36/35/81/1104363581.db2.gz AJEPXLOWWOORBK-WMZOPIPTSA-N 2 0 344.503 2.201 10 0 EEAERP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001494810097 1104401403 /nfs/dbraw/zinc/40/14/03/1104401403.db2.gz YQTWLILQVVLBLQ-MJGOQNOKSA-N 2 0 345.487 2.082 10 0 EEAERP COc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001494877774 1104489200 /nfs/dbraw/zinc/48/92/00/1104489200.db2.gz XPCFBEOGEJOTIY-SFHVURJKSA-N 2 0 347.503 2.111 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001495094333 1104732609 /nfs/dbraw/zinc/73/26/09/1104732609.db2.gz OLEKTHGWJSMSES-LPHOPBHVSA-N 2 0 345.487 2.043 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001498055654 1106852018 /nfs/dbraw/zinc/85/20/18/1106852018.db2.gz FHGRJBDLXHSEBH-DAYGRLMNSA-N 2 0 335.492 2.437 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480679486 1106869975 /nfs/dbraw/zinc/86/99/75/1106869975.db2.gz NXAABTGQXZORGJ-AIADIJKESA-N 2 0 327.472 2.234 10 0 EEAERP CO[C@H](C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001480682425 1106873157 /nfs/dbraw/zinc/87/31/57/1106873157.db2.gz GCVVTOYFKOSKFQ-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]CCOCC2CC2)C1)C12CCC[NH+]1CCC2 ZINC001480695552 1106903406 /nfs/dbraw/zinc/90/34/06/1106903406.db2.gz OTXADCFDSSOKHQ-ZWKOTPCHSA-N 2 0 349.519 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001480706722 1106923803 /nfs/dbraw/zinc/92/38/03/1106923803.db2.gz HRCYQHZDCQVINI-HOTGVXAUSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001480709183 1106929990 /nfs/dbraw/zinc/92/99/90/1106929990.db2.gz JQIBIOMUWFWSGQ-HUUCEWRRSA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@H](C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001480716802 1106951883 /nfs/dbraw/zinc/95/18/83/1106951883.db2.gz MZXYQSBVHFFBGK-QFBILLFUSA-N 2 0 331.504 2.433 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001498152108 1106989840 /nfs/dbraw/zinc/98/98/40/1106989840.db2.gz VGTVGJXVKUCFOY-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001498152107 1106990910 /nfs/dbraw/zinc/99/09/10/1106990910.db2.gz VGTVGJXVKUCFOY-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CCC1CC1 ZINC001493023089 1107322384 /nfs/dbraw/zinc/32/23/84/1107322384.db2.gz RBIDYRRINJAUEP-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)Cc1ccc(Cl)nc1 ZINC001498427510 1107504159 /nfs/dbraw/zinc/50/41/59/1107504159.db2.gz HGQDPZCNNILBQY-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498560213 1107722633 /nfs/dbraw/zinc/72/26/33/1107722633.db2.gz PFZNSIRUHKPUOA-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ncccc1C ZINC001493291324 1107866537 /nfs/dbraw/zinc/86/65/37/1107866537.db2.gz PMAJWCFZDALAHH-GOSISDBHSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498641922 1107873218 /nfs/dbraw/zinc/87/32/18/1107873218.db2.gz QSQXTVGMUAKFMS-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1scnc1C ZINC001498656876 1107907892 /nfs/dbraw/zinc/90/78/92/1107907892.db2.gz CPXVICVXCDPWNM-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001498819572 1108162326 /nfs/dbraw/zinc/16/23/26/1108162326.db2.gz VIBMSDRIRHGCQZ-DZGCQCFKSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1)[NH+](C)C ZINC001498862052 1108239822 /nfs/dbraw/zinc/23/98/22/1108239822.db2.gz XXAHACBAXFAVFQ-CABCVRRESA-N 2 0 338.883 2.060 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001498864935 1108244104 /nfs/dbraw/zinc/24/41/04/1108244104.db2.gz UXVUCOJNOCXGKF-PMACEKPBSA-N 2 0 343.515 2.364 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001498864932 1108244238 /nfs/dbraw/zinc/24/42/38/1108244238.db2.gz UUADZLBAQIUHCR-TZMCWYRMSA-N 2 0 341.908 2.338 10 0 EEAERP CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]Cc1ocnc1C ZINC001498892984 1108287562 /nfs/dbraw/zinc/28/75/62/1108287562.db2.gz GIUAZRRRCSOHFA-HOTGVXAUSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCc1ccccc1 ZINC001498996694 1108433168 /nfs/dbraw/zinc/43/31/68/1108433168.db2.gz BHFJDWMLJFQBFJ-OALUTQOASA-N 2 0 329.488 2.294 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2cncs2)CC1 ZINC001493842050 1108726874 /nfs/dbraw/zinc/72/68/74/1108726874.db2.gz ARRAGQKZZLQXEF-CQSZACIVSA-N 2 0 338.521 2.202 10 0 EEAERP CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001493848437 1108731873 /nfs/dbraw/zinc/73/18/73/1108731873.db2.gz FCQJDGYQEUKCRN-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)CC[NH+](C)C)c1 ZINC001466880293 1110445780 /nfs/dbraw/zinc/44/57/80/1110445780.db2.gz GHTVNQQZZUNMIR-INIZCTEOSA-N 2 0 335.492 2.173 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CC[C@@H]1CCCC1(F)F)C(=O)C[NH+]1CCCC1 ZINC001479271198 1110672934 /nfs/dbraw/zinc/67/29/34/1110672934.db2.gz LYJOKKRIJWEFFO-JKSUJKDBSA-N 2 0 343.462 2.440 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC001479319419 1110680634 /nfs/dbraw/zinc/68/06/34/1110680634.db2.gz JNCSFEKYJNCTBR-KCQAQPDRSA-N 2 0 339.430 2.462 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001499184512 1112167227 /nfs/dbraw/zinc/16/72/27/1112167227.db2.gz XXCRZLINBXFKIE-PRCIHIDRSA-N 2 0 327.472 2.423 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001499230776 1112190445 /nfs/dbraw/zinc/19/04/45/1112190445.db2.gz GWRFBJMWYRRZJA-MZMPZRCHSA-N 2 0 345.462 2.392 10 0 EEAERP COCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001499482098 1112313230 /nfs/dbraw/zinc/31/32/30/1112313230.db2.gz UBRAIIRKYXPDBL-ROUUACIJSA-N 2 0 348.491 2.013 10 0 EEAERP COCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001499482097 1112314087 /nfs/dbraw/zinc/31/40/87/1112314087.db2.gz UBRAIIRKYXPDBL-QZTJIDSGSA-N 2 0 348.491 2.013 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001499535206 1112349716 /nfs/dbraw/zinc/34/97/16/1112349716.db2.gz GSDGPKMUTQDZMW-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CCCCOCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001499585709 1112390680 /nfs/dbraw/zinc/39/06/80/1112390680.db2.gz ZQAKQTBIFSOVMO-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001499795680 1112488245 /nfs/dbraw/zinc/48/82/45/1112488245.db2.gz SXTOPMLGSUASEO-FGTMMUONSA-N 2 0 333.520 2.441 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001499920333 1112541012 /nfs/dbraw/zinc/54/10/12/1112541012.db2.gz BTAZVTKHOZYCRR-QGZVFWFLSA-N 2 0 335.467 2.291 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001500123159 1112627561 /nfs/dbraw/zinc/62/75/61/1112627561.db2.gz RVIKSZPZHLDJMG-MAUKXSAKSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001501091314 1113195634 /nfs/dbraw/zinc/19/56/34/1113195634.db2.gz MSYVMAQUHKDFDH-DOTOQJQBSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1F ZINC001501135970 1113211233 /nfs/dbraw/zinc/21/12/33/1113211233.db2.gz NQBYMXDOYBHKAX-RDJZCZTQSA-N 2 0 335.467 2.270 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC001501237728 1113256605 /nfs/dbraw/zinc/25/66/05/1113256605.db2.gz BOLGHYBNQCTWBG-FQBWVUSXSA-N 2 0 333.520 2.155 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001505436781 1113970774 /nfs/dbraw/zinc/97/07/74/1113970774.db2.gz DXHDXZVRMAWWCE-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]1C[NH+](C)CCOC)c1ccccc1 ZINC001505455455 1113989926 /nfs/dbraw/zinc/98/99/26/1113989926.db2.gz BAKHAJJKFRJZAD-OALUTQOASA-N 2 0 347.503 2.249 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505760556 1114174848 /nfs/dbraw/zinc/17/48/48/1114174848.db2.gz MHDNBCCNQOKVSO-HZPDHXFCSA-N 2 0 334.508 2.076 10 0 EEAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001505961041 1114301908 /nfs/dbraw/zinc/30/19/08/1114301908.db2.gz FDZHLAXXKYZLJN-KBPBESRZSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001506001725 1114334096 /nfs/dbraw/zinc/33/40/96/1114334096.db2.gz HKSGCDCOWHXTGA-DLBZAZTESA-N 2 0 346.519 2.031 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001506001726 1114334315 /nfs/dbraw/zinc/33/43/15/1114334315.db2.gz HKSGCDCOWHXTGA-IAGOWNOFSA-N 2 0 346.519 2.031 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001506490414 1114646127 /nfs/dbraw/zinc/64/61/27/1114646127.db2.gz RUWFOIAUKGKRNS-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCc3ccc(C)cc3)C[C@H]21 ZINC001506825619 1114897650 /nfs/dbraw/zinc/89/76/50/1114897650.db2.gz LHCBROZNHDTOFV-OWZKRDHZSA-N 2 0 343.515 2.173 10 0 EEAERP Cc1ccc(C)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001506828782 1114899025 /nfs/dbraw/zinc/89/90/25/1114899025.db2.gz QGZLDHLBONNWNI-OWZKRDHZSA-N 2 0 341.499 2.193 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C/C=C/Cl)C[C@H]3C2)CC1 ZINC001506851668 1114915118 /nfs/dbraw/zinc/91/51/18/1114915118.db2.gz FGFHFYJKRSRFME-ZBHOMTMDSA-N 2 0 339.911 2.297 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001506853891 1114917620 /nfs/dbraw/zinc/91/76/20/1114917620.db2.gz MECARFVJTHWLFM-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001506886050 1114951043 /nfs/dbraw/zinc/95/10/43/1114951043.db2.gz GGTAZMDCKDKQFM-SHTZXODSSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)on1 ZINC001506945059 1114993481 /nfs/dbraw/zinc/99/34/81/1114993481.db2.gz VRRUDKABQKGFED-OAHLLOKOSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001507074454 1115093860 /nfs/dbraw/zinc/09/38/60/1115093860.db2.gz UBHGKTAYZRYWSE-YLJYHZDGSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001507116926 1115116570 /nfs/dbraw/zinc/11/65/70/1115116570.db2.gz IEHACQOOCHFSND-ZOBUZTSGSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2cccnc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001507299313 1115180609 /nfs/dbraw/zinc/18/06/09/1115180609.db2.gz VDXMNDGFDZEQTM-MJGOQNOKSA-N 2 0 344.503 2.427 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1C ZINC001507319705 1115190741 /nfs/dbraw/zinc/19/07/41/1115190741.db2.gz LBTAHTDYPOWLSH-PBHICJAKSA-N 2 0 333.476 2.034 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001507354759 1115217354 /nfs/dbraw/zinc/21/73/54/1115217354.db2.gz JDQIYUVQKYLJLQ-IEBWSBKVSA-N 2 0 346.475 2.081 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001507433243 1115266053 /nfs/dbraw/zinc/26/60/53/1115266053.db2.gz FCWCJBGJNBYFRH-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001507433246 1115266090 /nfs/dbraw/zinc/26/60/90/1115266090.db2.gz FCWCJBGJNBYFRH-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001507833595 1115355280 /nfs/dbraw/zinc/35/52/80/1115355280.db2.gz CHIATOXIYRUUMS-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC001567929168 1124188297 /nfs/dbraw/zinc/18/82/97/1124188297.db2.gz XZJNVDPRBWPQIG-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccccc1 ZINC001567984643 1124216771 /nfs/dbraw/zinc/21/67/71/1124216771.db2.gz QEJGGSNNTQHKDE-GOSISDBHSA-N 2 0 329.488 2.199 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccn3)C2)CC[N@@H+]1C ZINC001568056791 1124262206 /nfs/dbraw/zinc/26/22/06/1124262206.db2.gz KXEVTSIBZPGTQS-ZIFCJYIRSA-N 2 0 344.503 2.140 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001568067028 1124271701 /nfs/dbraw/zinc/27/17/01/1124271701.db2.gz VDXHYXBWRQFJJX-KRWDZBQOSA-N 2 0 335.467 2.496 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001568367535 1124440931 /nfs/dbraw/zinc/44/09/31/1124440931.db2.gz HNZMDGCBGAFMDN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001568394187 1124465012 /nfs/dbraw/zinc/46/50/12/1124465012.db2.gz AXQPGXYGIKJYOZ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nc(C)cs2)CC[N@@H+]1C ZINC001568633366 1124648265 /nfs/dbraw/zinc/64/82/65/1124648265.db2.gz DGTRLKQFZIVTQO-AEGPPILISA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ncccc2C)CC[N@@H+]1C ZINC001568633973 1124649306 /nfs/dbraw/zinc/64/93/06/1124649306.db2.gz RBHNVGNCBNRZNA-XYJFISCASA-N 2 0 332.492 2.105 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001568640744 1124654444 /nfs/dbraw/zinc/65/44/44/1124654444.db2.gz OYJYBAVBWVIDFH-YOEHRIQHSA-N 2 0 348.491 2.374 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001568713345 1124731168 /nfs/dbraw/zinc/73/11/68/1124731168.db2.gz DULMHXVQQUYNFW-FUHWJXTLSA-N 2 0 332.492 2.186 10 0 EEAERP CCN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568743992 1124758553 /nfs/dbraw/zinc/75/85/53/1124758553.db2.gz WXTOWPGWXKEEPY-OAHLLOKOSA-N 2 0 349.441 2.499 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001568751820 1124766711 /nfs/dbraw/zinc/76/67/11/1124766711.db2.gz UXXVYAPGSHMEHL-WMZOPIPTSA-N 2 0 348.491 2.192 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568851535 1124873034 /nfs/dbraw/zinc/87/30/34/1124873034.db2.gz GIFDHEHJWOCKKG-XQQSMPNESA-N 2 0 341.499 2.407 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568866365 1124891226 /nfs/dbraw/zinc/89/12/26/1124891226.db2.gz SGHKADYVBYOYPG-WHLIDYPQSA-N 2 0 330.476 2.026 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001568898089 1124926916 /nfs/dbraw/zinc/92/69/16/1124926916.db2.gz IJWJXGVBSGBNJL-DYIICSRESA-N 2 0 341.499 2.463 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001569213744 1125169919 /nfs/dbraw/zinc/16/99/19/1125169919.db2.gz KPDPDHXMKHFRJE-GJZGRUSLSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]C[C@H]2CC[C@H](C)O2)ccc2c[nH+]cn21 ZINC001569217507 1125172480 /nfs/dbraw/zinc/17/24/80/1125172480.db2.gz OGTMNKPOYBIBCI-WMLDXEAASA-N 2 0 344.459 2.262 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000247194871 282116355 /nfs/dbraw/zinc/11/63/55/282116355.db2.gz LLJRMXVCOPYFGU-RBUKOAKNSA-N 2 0 346.519 2.143 10 0 EEAERP [NH3+]C1(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCCCCC1 ZINC000131631708 539417625 /nfs/dbraw/zinc/41/76/25/539417625.db2.gz ZTOOAIMZJYZIAI-UHFFFAOYSA-N 2 0 329.488 2.476 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103309145 219289031 /nfs/dbraw/zinc/28/90/31/219289031.db2.gz CCLWYDNEVUNIGN-IBGZPJMESA-N 2 0 346.519 2.190 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000415963621 295945214 /nfs/dbraw/zinc/94/52/14/295945214.db2.gz VWSYABAGGNSCNS-AWEZNQCLSA-N 2 0 346.450 2.421 10 0 EEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)cc2F)CC1 ZINC000036670305 213108374 /nfs/dbraw/zinc/10/83/74/213108374.db2.gz IYFGJLFEPZUVHL-CQSZACIVSA-N 2 0 330.245 2.226 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC000422811253 240238311 /nfs/dbraw/zinc/23/83/11/240238311.db2.gz OWAOOCDBZSETED-ZIAGYGMSSA-N 2 0 348.443 2.387 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060434 240346150 /nfs/dbraw/zinc/34/61/50/240346150.db2.gz IGPMLEQGXVJAGS-FRYIKTPZSA-N 2 0 331.504 2.383 10 0 EEAERP CS[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000425355412 241139115 /nfs/dbraw/zinc/13/91/15/241139115.db2.gz OQTUNPXPWMFFMQ-GJZGRUSLSA-N 2 0 327.538 2.097 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000439213653 242072310 /nfs/dbraw/zinc/07/23/10/242072310.db2.gz MDZSKZJJNODPEF-NUJGCVRESA-N 2 0 339.524 2.159 10 0 EEAERP COCC[N@@H+]1CCC[C@@]2(CC[NH+](CCCn3nc(C)cc3C)C2)C1 ZINC000020862762 212178164 /nfs/dbraw/zinc/17/81/64/212178164.db2.gz JKMZRCNNEZCYDB-IBGZPJMESA-N 2 0 334.508 2.324 10 0 EEAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000111835493 220203107 /nfs/dbraw/zinc/20/31/07/220203107.db2.gz NUQVEYJWAHVWAH-LJQANCHMSA-N 2 0 346.519 2.331 10 0 EEAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000111835491 220203172 /nfs/dbraw/zinc/20/31/72/220203172.db2.gz NUQVEYJWAHVWAH-IBGZPJMESA-N 2 0 346.519 2.331 10 0 EEAERP CC(C)c1nc2c(n1C)CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000191487458 152256959 /nfs/dbraw/zinc/25/69/59/152256959.db2.gz QBMCPIMZDLLJHS-UHFFFAOYSA-N 2 0 347.551 2.318 10 0 EEAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000357784244 153344874 /nfs/dbraw/zinc/34/48/74/153344874.db2.gz UQRJEPXCMVRMOQ-AWEZNQCLSA-N 2 0 338.471 2.415 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(c2c[nH]cn2)CC1 ZINC000374213788 154007367 /nfs/dbraw/zinc/00/73/67/154007367.db2.gz VXUHGOLMYADIIX-GFCCVEGCSA-N 2 0 342.399 2.345 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000374289577 154032987 /nfs/dbraw/zinc/03/29/87/154032987.db2.gz XWTJGQKLFJFALZ-GOSISDBHSA-N 2 0 331.508 2.072 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261535079 160399166 /nfs/dbraw/zinc/39/91/66/160399166.db2.gz GNFRBZDYARKUQW-IBGZPJMESA-N 2 0 329.488 2.499 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107834866 159336435 /nfs/dbraw/zinc/33/64/35/159336435.db2.gz RCRWFYCUMHFQHH-SJLPKXTDSA-N 2 0 334.508 2.131 10 0 EEAERP CN(C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000193650756 160184927 /nfs/dbraw/zinc/18/49/27/160184927.db2.gz HJFAUKBXTZNPQL-ZIFCJYIRSA-N 2 0 327.472 2.016 10 0 EEAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000245910329 160256164 /nfs/dbraw/zinc/25/61/64/160256164.db2.gz IXCBCVDSJDAFSC-QZTJIDSGSA-N 2 0 337.895 2.085 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000247513438 160327155 /nfs/dbraw/zinc/32/71/55/160327155.db2.gz QDFQXSAKMFXSMC-JKSUJKDBSA-N 2 0 334.464 2.152 10 0 EEAERP COc1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248147698 160339021 /nfs/dbraw/zinc/33/90/21/160339021.db2.gz QJDXFFDEMJKFBK-IEBWSBKVSA-N 2 0 345.487 2.070 10 0 EEAERP CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248470219 160348018 /nfs/dbraw/zinc/34/80/18/160348018.db2.gz HSHOOPFPLXCOAZ-BISRIHTFSA-N 2 0 333.520 2.438 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442886 162136744 /nfs/dbraw/zinc/13/67/44/162136744.db2.gz ZAEJZTSQLIMYLK-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000352511284 162165878 /nfs/dbraw/zinc/16/58/78/162165878.db2.gz LDTNJLNEWKBMHF-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000368227609 166073096 /nfs/dbraw/zinc/07/30/96/166073096.db2.gz OWSMMUNJNMQCPN-RHSMWYFYSA-N 2 0 345.422 2.008 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000245431179 276370014 /nfs/dbraw/zinc/37/00/14/276370014.db2.gz MQQSNNFFGRBWJH-HUUCEWRRSA-N 2 0 338.521 2.477 10 0 EEAERP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000495017168 276888753 /nfs/dbraw/zinc/88/87/53/276888753.db2.gz JXPMRUOEJVSBJO-SFHVURJKSA-N 2 0 345.487 2.306 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415954958 280029633 /nfs/dbraw/zinc/02/96/33/280029633.db2.gz LJUZBUCWUKTRDB-KBPBESRZSA-N 2 0 332.423 2.220 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[NH+](C)C)cc1 ZINC000174383956 280944302 /nfs/dbraw/zinc/94/43/02/280944302.db2.gz YXWHTPBYLFGXBS-RBUKOAKNSA-N 2 0 342.487 2.253 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000178978790 289101205 /nfs/dbraw/zinc/10/12/05/289101205.db2.gz UUSFCJBXMWZNOE-ABHNRTSZSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000170861270 289382740 /nfs/dbraw/zinc/38/27/40/289382740.db2.gz JKVPRUVIBJZQGS-ZWKOTPCHSA-N 2 0 330.476 2.169 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@H]3C[N@H+](C)CC[C@H]31)C2 ZINC000245967234 290177715 /nfs/dbraw/zinc/17/77/15/290177715.db2.gz NPFAERBUGJKQPV-AJYUKVHDSA-N 2 0 334.508 2.127 10 0 EEAERP CCc1ccc2[nH+]ccc(N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000297333298 294215482 /nfs/dbraw/zinc/21/54/82/294215482.db2.gz AKLMOVDEAUHCMW-UHFFFAOYSA-N 2 0 340.471 2.398 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]1c1ccccc1 ZINC000333782649 312196618 /nfs/dbraw/zinc/19/66/18/312196618.db2.gz LBXRMUBTAPUNOB-IEWDOMPSSA-N 2 0 342.487 2.119 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@](C)(C[NH3+])C2CC2)CC1 ZINC000414739350 313073956 /nfs/dbraw/zinc/07/39/56/313073956.db2.gz PRVMTGUZEMZCSM-LJQANCHMSA-N 2 0 345.491 2.077 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[NH+](C)C)cc1 ZINC000416850228 313335954 /nfs/dbraw/zinc/33/59/54/313335954.db2.gz ZFSKEEJHXIJBCK-FHWLQOOXSA-N 2 0 344.503 2.245 10 0 EEAERP C[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416870629 313342462 /nfs/dbraw/zinc/34/24/62/313342462.db2.gz IQHDJMOQUJUAHI-IBGZPJMESA-N 2 0 330.476 2.163 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCC[NH+]1CCCCC1 ZINC000416877953 313345332 /nfs/dbraw/zinc/34/53/32/313345332.db2.gz DDKPQBCXMOEWDN-SFHVURJKSA-N 2 0 332.492 2.424 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000416975704 313379550 /nfs/dbraw/zinc/37/95/50/313379550.db2.gz ZOGYREIDPXTVNB-QAPCUYQASA-N 2 0 332.492 2.324 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418501850 313831288 /nfs/dbraw/zinc/83/12/88/313831288.db2.gz SVDOAWWQJOACBB-JEBQAFNWSA-N 2 0 326.444 2.137 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015838 317302964 /nfs/dbraw/zinc/30/29/64/317302964.db2.gz ZEJSAOOEMXPWLU-XJKSGUPXSA-N 2 0 337.489 2.002 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015835 317303366 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10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1C[NH2+]Cc2ccccc21 ZINC000581193465 324204340 /nfs/dbraw/zinc/20/43/40/324204340.db2.gz NKJPICUIMWSJCU-INIZCTEOSA-N 2 0 325.387 2.297 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000581250028 324215051 /nfs/dbraw/zinc/21/50/51/324215051.db2.gz XPWGRVOQYXVHMN-QFBILLFUSA-N 2 0 344.503 2.375 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000341223510 465064963 /nfs/dbraw/zinc/06/49/63/465064963.db2.gz VZCVVCIWCMEUBO-AWEZNQCLSA-N 2 0 331.460 2.089 10 0 EEAERP COc1ccc(F)c(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000339325384 465207634 /nfs/dbraw/zinc/20/76/34/465207634.db2.gz LLWGOIUMBITHSU-KRWDZBQOSA-N 2 0 339.455 2.016 10 0 EEAERP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000062506455 462618578 /nfs/dbraw/zinc/61/85/78/462618578.db2.gz MZZLQXVGWNORRK-MRXNPFEDSA-N 2 0 332.492 2.422 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000048215970 462874467 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000177518775 463726629 /nfs/dbraw/zinc/72/66/29/463726629.db2.gz RBUUFWYLOOLNMZ-CVEARBPZSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC[N@@H+]1C ZINC000177928756 463815960 /nfs/dbraw/zinc/81/59/60/463815960.db2.gz BWTMMCDXODIJMZ-LPHOPBHVSA-N 2 0 325.456 2.469 10 0 EEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262176269 463966263 /nfs/dbraw/zinc/96/62/63/463966263.db2.gz VWXMFLYASNKHLY-HNAYVOBHSA-N 2 0 332.394 2.267 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000173953289 464338123 /nfs/dbraw/zinc/33/81/23/464338123.db2.gz YXAXOCXMWNVHNB-NVXWUHKLSA-N 2 0 345.491 2.175 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](CC)C3)cc2)CC1 ZINC000175607671 464585685 /nfs/dbraw/zinc/58/56/85/464585685.db2.gz FIEPNXGFHGFIAB-GOSISDBHSA-N 2 0 344.503 2.043 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721603 464609808 /nfs/dbraw/zinc/60/98/08/464609808.db2.gz GBSHALBEIXJXCB-QAPCUYQASA-N 2 0 335.467 2.446 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000175824726 464634486 /nfs/dbraw/zinc/63/44/86/464634486.db2.gz BSIJUTHSSUMTAX-GOSISDBHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000247500513 464686641 /nfs/dbraw/zinc/68/66/41/464686641.db2.gz UZRNFZZPOYIKCX-BHIYHBOVSA-N 2 0 344.503 2.037 10 0 EEAERP CC1(C)OCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000295259077 464765301 /nfs/dbraw/zinc/76/53/01/464765301.db2.gz RFPDNUZFXLYBPV-SFHVURJKSA-N 2 0 345.487 2.056 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000352358976 465518638 /nfs/dbraw/zinc/51/86/38/465518638.db2.gz AOWQDFLHNOTEEH-RUXDESIVSA-N 2 0 333.398 2.002 10 0 EEAERP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000366347618 465669605 /nfs/dbraw/zinc/66/96/05/465669605.db2.gz UDTGSWGKRGFLNQ-IIIMJFFVSA-N 2 0 334.508 2.319 10 0 EEAERP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000353637360 466029372 /nfs/dbraw/zinc/02/93/72/466029372.db2.gz KXZYLTVRDNNCQP-IIAWOOMASA-N 2 0 338.521 2.380 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000361518236 466065203 /nfs/dbraw/zinc/06/52/03/466065203.db2.gz ILLYGQDGKGGOND-GOSISDBHSA-N 2 0 341.455 2.206 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000349661252 466179031 /nfs/dbraw/zinc/17/90/31/466179031.db2.gz HNPMUQZBNSGUKU-AEFFLSMTSA-N 2 0 336.524 2.377 10 0 EEAERP CN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349740995 466216635 /nfs/dbraw/zinc/21/66/35/466216635.db2.gz BQCWKAXIPGLQCM-LJQANCHMSA-N 2 0 344.503 2.387 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310100037 466509454 /nfs/dbraw/zinc/50/94/54/466509454.db2.gz BBNNKFPTSVRVGE-VNTMZGSJSA-N 3 0 331.504 2.241 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(=O)OC)cc2)[C@@H](C)C1 ZINC000341167918 466629950 /nfs/dbraw/zinc/62/99/50/466629950.db2.gz UTWIJOHJSVEOMT-YJBOKZPZSA-N 2 0 334.460 2.401 10 0 EEAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)c1 ZINC000422771759 466682831 /nfs/dbraw/zinc/68/28/31/466682831.db2.gz YNTJLBIAZNBEHZ-LVFSCSRESA-N 2 0 333.476 2.006 10 0 EEAERP C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252032 472043484 /nfs/dbraw/zinc/04/34/84/472043484.db2.gz HZQKJCXPXIYKEA-LLVKDONJSA-N 2 0 331.279 2.463 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCCCC1 ZINC000662678137 472200946 /nfs/dbraw/zinc/20/09/46/472200946.db2.gz BOKDDGWYBAGXQU-INIZCTEOSA-N 2 0 331.460 2.220 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000417395124 466849849 /nfs/dbraw/zinc/84/98/49/466849849.db2.gz FCHAYSAYVBOHCG-KDURUIRLSA-N 2 0 344.503 2.279 10 0 EEAERP CC[NH2+]CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417586290 466887813 /nfs/dbraw/zinc/88/78/13/466887813.db2.gz QOWCNOLBBPYUDQ-AYHJJNSGSA-N 2 0 330.476 2.091 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000376195659 466897537 /nfs/dbraw/zinc/89/75/37/466897537.db2.gz MVDFYHMYKKSFES-BXEXHWSDSA-N 2 0 334.508 2.270 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1F ZINC000417661927 466902897 /nfs/dbraw/zinc/90/28/97/466902897.db2.gz QSYITWKGBCZKSH-INIZCTEOSA-N 2 0 336.455 2.219 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417819397 466944396 /nfs/dbraw/zinc/94/43/96/466944396.db2.gz TUWBEHGJWCPWRE-JFIYKMOQSA-N 2 0 332.492 2.194 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417871099 466964951 /nfs/dbraw/zinc/96/49/51/466964951.db2.gz HAYQUHKEFHPDEC-DOTOQJQBSA-N 2 0 332.492 2.483 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417913592 466983751 /nfs/dbraw/zinc/98/37/51/466983751.db2.gz QTVJVHYWUMURPH-IEBWSBKVSA-N 2 0 336.524 2.140 10 0 EEAERP CCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004291 467019724 /nfs/dbraw/zinc/01/97/24/467019724.db2.gz YVHFPAIAPUMSSO-COLVAYQJSA-N 2 0 342.846 2.261 10 0 EEAERP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291382 467023754 /nfs/dbraw/zinc/02/37/54/467023754.db2.gz NTABCXQVKVANJJ-ZIAGYGMSSA-N 2 0 347.425 2.251 10 0 EEAERP C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@H](C)[NH3+] ZINC000418030274 467028320 /nfs/dbraw/zinc/02/83/20/467028320.db2.gz JJNBKNCIOLJVPL-MISXGVKJSA-N 2 0 346.397 2.343 10 0 EEAERP C[C@@H]1CC2(C[N@@H+]1Cc1c(Br)cnn1C)CC[NH2+]CC2 ZINC000424371247 467034707 /nfs/dbraw/zinc/03/47/07/467034707.db2.gz DGEKOZPINADVAU-LLVKDONJSA-N 2 0 327.270 2.147 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418136352 467056450 /nfs/dbraw/zinc/05/64/50/467056450.db2.gz QHJSOSNATLIHJA-SZMVWBNQSA-N 2 0 334.508 2.177 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418456338 467113563 /nfs/dbraw/zinc/11/35/63/467113563.db2.gz FRYBHFWUJORDOI-YJBOKZPZSA-N 2 0 330.476 2.476 10 0 EEAERP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418778910 467158026 /nfs/dbraw/zinc/15/80/26/467158026.db2.gz APBWPWFQPUAAOX-XMTFNYHQSA-N 2 0 334.508 2.034 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000377949122 467170014 /nfs/dbraw/zinc/17/00/14/467170014.db2.gz HWWNHTBRTGAALS-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP CN(Cc1ccccc1)C1(C[NH2+]C2CCN(C(N)=O)CC2)CCC1 ZINC000386717707 467390791 /nfs/dbraw/zinc/39/07/91/467390791.db2.gz RDSHYMGXEYFIIB-UHFFFAOYSA-N 2 0 330.476 2.174 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690240 467429419 /nfs/dbraw/zinc/42/94/19/467429419.db2.gz HLYSPYIRNIBPLJ-GOEBONIOSA-N 2 0 335.879 2.327 10 0 EEAERP COc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(OC)c1 ZINC000415045963 467475436 /nfs/dbraw/zinc/47/54/36/467475436.db2.gz CDILFHMSHGMYTN-UHFFFAOYSA-N 2 0 333.476 2.010 10 0 EEAERP COc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1OC ZINC000415056679 467477141 /nfs/dbraw/zinc/47/71/41/467477141.db2.gz QELOQIDUEJLMBF-UHFFFAOYSA-N 2 0 333.476 2.010 10 0 EEAERP C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H](C)[NH3+] ZINC000415065745 467479050 /nfs/dbraw/zinc/47/90/50/467479050.db2.gz HNGGZTHTOUJVSL-UONOGXRCSA-N 2 0 336.505 2.135 10 0 EEAERP CCO[C@@H]1C[N@H+](CCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000405445066 467482230 /nfs/dbraw/zinc/48/22/30/467482230.db2.gz MNSGNYPQLIEVOH-IUODEOHRSA-N 2 0 343.265 2.124 10 0 EEAERP C[C@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449098997 467618048 /nfs/dbraw/zinc/61/80/48/467618048.db2.gz LVCXIOJOJUJWHQ-SJORKVTESA-N 2 0 327.476 2.352 10 0 EEAERP COCC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449145621 467620530 /nfs/dbraw/zinc/62/05/30/467620530.db2.gz YMMPJGPLVHXXIG-XLIONFOSSA-N 2 0 334.504 2.459 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCOC[C@@H]2C)CC1 ZINC000449222245 467624277 /nfs/dbraw/zinc/62/42/77/467624277.db2.gz HTSGUJLIJBSLNW-MOPGFXCFSA-N 2 0 345.531 2.392 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000449328096 467631331 /nfs/dbraw/zinc/63/13/31/467631331.db2.gz IBGRTIVYABCSJC-KRWDZBQOSA-N 2 0 334.504 2.459 10 0 EEAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000455436896 467682330 /nfs/dbraw/zinc/68/23/30/467682330.db2.gz VEYTYOVPCCJIHQ-OFQRWUPVSA-N 2 0 338.521 2.380 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1cccc(F)c1 ZINC000530239615 467966790 /nfs/dbraw/zinc/96/67/90/467966790.db2.gz HAZLEHBWYNNUFU-SFHVURJKSA-N 2 0 349.450 2.245 10 0 EEAERP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000530245460 467967453 /nfs/dbraw/zinc/96/74/53/467967453.db2.gz YMYWXHLPGQVTPN-QAPCUYQASA-N 2 0 334.460 2.344 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749677 468044914 /nfs/dbraw/zinc/04/49/14/468044914.db2.gz IXFPNUVIZKLIRB-AHCXZYCDSA-N 2 0 330.476 2.119 10 0 EEAERP CN1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519638652 468187520 /nfs/dbraw/zinc/18/75/20/468187520.db2.gz ACHZJOZEQUWNJT-HRCADAONSA-N 2 0 339.842 2.468 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594205334 468512165 /nfs/dbraw/zinc/51/21/65/468512165.db2.gz RJUKUPNPSWJIBC-PMACEKPBSA-N 2 0 331.504 2.040 10 0 EEAERP C[C@]1(CNC(=O)NCC2=CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000584770437 468932606 /nfs/dbraw/zinc/93/26/06/468932606.db2.gz RMADKNLZWSMYJF-HXUWFJFHSA-N 2 0 342.487 2.260 10 0 EEAERP COC(=O)c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n2c1CCCC2 ZINC000598638995 468941742 /nfs/dbraw/zinc/94/17/42/468941742.db2.gz FVGZSUIBMHQTRV-GJZGRUSLSA-N 2 0 331.460 2.327 10 0 EEAERP COC(=O)CC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000593662987 469083262 /nfs/dbraw/zinc/08/32/62/469083262.db2.gz KVSHNKWJJYTDOX-UHFFFAOYSA-N 2 0 332.444 2.347 10 0 EEAERP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398431 469530732 /nfs/dbraw/zinc/53/07/32/469530732.db2.gz SYMAPPBYPZYTKB-ZDUSSCGKSA-N 2 0 327.856 2.321 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000629538452 469574855 /nfs/dbraw/zinc/57/48/55/469574855.db2.gz MZUGUJPWHPCWEJ-AQNXPRMDSA-N 3 0 331.504 2.385 10 0 EEAERP CC(C)([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1nc2ccccc2s1 ZINC000629650656 469598710 /nfs/dbraw/zinc/59/87/10/469598710.db2.gz ZLPDZQAPNZVXMG-ZDUSSCGKSA-N 2 0 346.500 2.318 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000617551055 469723323 /nfs/dbraw/zinc/72/33/23/469723323.db2.gz KDZYLIKDSYREAU-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000626917643 469753534 /nfs/dbraw/zinc/75/35/34/469753534.db2.gz DQOPOOWSSPPRKM-MAUKXSAKSA-N 2 0 330.476 2.091 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000626933747 469761090 /nfs/dbraw/zinc/76/10/90/469761090.db2.gz YUPTZBROXUECQS-MAUKXSAKSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009256 469787930 /nfs/dbraw/zinc/78/79/30/469787930.db2.gz DPCVJVSIQMDNHM-FPAYPSAMSA-N 2 0 344.503 2.337 10 0 EEAERP CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+](C)C)cc1 ZINC000627044531 469800945 /nfs/dbraw/zinc/80/09/45/469800945.db2.gz ABTLPCGYNYSGLB-MAZHCROVSA-N 2 0 336.505 2.061 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)[C@@H]2CCC[C@H]21 ZINC000624103649 469842059 /nfs/dbraw/zinc/84/20/59/469842059.db2.gz JKLAUHMGOLNOOJ-HRCADAONSA-N 2 0 346.462 2.406 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C[NH2+]1 ZINC000627209752 469845787 /nfs/dbraw/zinc/84/57/87/469845787.db2.gz INNVANKRWAPEOC-BHIYHBOVSA-N 2 0 344.503 2.085 10 0 EEAERP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000620666613 469888504 /nfs/dbraw/zinc/88/85/04/469888504.db2.gz VNGIBXMKUXCGFX-LJQANCHMSA-N 2 0 346.519 2.287 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCC2(O)CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000631701893 470178788 /nfs/dbraw/zinc/17/87/88/470178788.db2.gz QTLQOTGYSWGKMI-ROUUACIJSA-N 2 0 331.504 2.480 10 0 EEAERP CCCN(C(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000648997312 470421629 /nfs/dbraw/zinc/42/16/29/470421629.db2.gz MUFBEYCLJLYTFS-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649305975 470537682 /nfs/dbraw/zinc/53/76/82/470537682.db2.gz RHFBLKBDJCHBQW-IKLKHMQRSA-N 2 0 327.472 2.136 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C(C)(C)n1cncn1 ZINC000647344721 470885660 /nfs/dbraw/zinc/88/56/60/470885660.db2.gz XXBWTKBHZIDSAA-NXHRZFHOSA-N 2 0 327.476 2.337 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000644840513 471061777 /nfs/dbraw/zinc/06/17/77/471061777.db2.gz KQLBLBFWVNIBEV-ICSRJNTNSA-N 2 0 329.488 2.297 10 0 EEAERP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000638387461 471071128 /nfs/dbraw/zinc/07/11/28/471071128.db2.gz USUUYLSAXQECFL-BRWVUGGUSA-N 2 0 329.488 2.496 10 0 EEAERP Cn1nccc1-c1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072264 471076129 /nfs/dbraw/zinc/07/61/29/471076129.db2.gz UMQJZOZNUYEXAN-UHFFFAOYSA-N 2 0 340.471 2.384 10 0 EEAERP OC[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCc2ccccc21 ZINC000657500930 471153036 /nfs/dbraw/zinc/15/30/36/471153036.db2.gz QDJJGMHJVNFCHE-HXUWFJFHSA-N 2 0 334.423 2.233 10 0 EEAERP c1nc(C2CC2)ncc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537825 471164415 /nfs/dbraw/zinc/16/44/15/471164415.db2.gz UKYPKDNRKRIQJO-UHFFFAOYSA-N 2 0 330.476 2.335 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000652128233 471240639 /nfs/dbraw/zinc/24/06/39/471240639.db2.gz SWSUCUPBQVSERC-HZPDHXFCSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000652172137 471249827 /nfs/dbraw/zinc/24/98/27/471249827.db2.gz MPLCIGSKKWXRNM-UHFFFAOYSA-N 2 0 332.492 2.326 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240525 471260957 /nfs/dbraw/zinc/26/09/57/471260957.db2.gz FVSPPSLLQCJLFS-GOSISDBHSA-N 2 0 344.503 2.279 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH3+])cc2F)[C@H](C)C1 ZINC000652276385 471265620 /nfs/dbraw/zinc/26/56/20/471265620.db2.gz UBCQUVCNUWQYKP-CXAGYDPISA-N 2 0 336.455 2.156 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000652283309 471266359 /nfs/dbraw/zinc/26/63/59/471266359.db2.gz BSDVAXCCUREDCT-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP CCC[NH+]1CCC(N(C)C(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652285379 471266715 /nfs/dbraw/zinc/26/67/15/471266715.db2.gz YARBLIRYBCUFBV-UHFFFAOYSA-N 2 0 332.492 2.422 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000652285149 471266924 /nfs/dbraw/zinc/26/69/24/471266924.db2.gz NTIYSGYTDDKOSF-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000652291662 471268310 /nfs/dbraw/zinc/26/83/10/471268310.db2.gz CBDJJGAYGXPDIS-UHFFFAOYSA-N 2 0 330.476 2.081 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@]3(O)CCCOC3)C2)s1 ZINC000660495666 471365293 /nfs/dbraw/zinc/36/52/93/471365293.db2.gz ANPTVCUDJJSKIR-FUHWJXTLSA-N 2 0 338.517 2.352 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000660494205 471365677 /nfs/dbraw/zinc/36/56/77/471365677.db2.gz AUVQETKCTVPKQQ-SFHVURJKSA-N 2 0 344.503 2.102 10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C[NH+]1CCCC1 ZINC000659033743 471476309 /nfs/dbraw/zinc/47/63/09/471476309.db2.gz XYFBMHLQLMBVJZ-MAUKXSAKSA-N 2 0 346.475 2.201 10 0 EEAERP CC1(OCC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[NH2+]C1 ZINC000653253006 471553569 /nfs/dbraw/zinc/55/35/69/471553569.db2.gz CDKQFKUCZFUKLU-UHFFFAOYSA-N 2 0 349.500 2.192 10 0 EEAERP CC[NH+](CC)CCN(CCOC)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659293605 471570890 /nfs/dbraw/zinc/57/08/90/471570890.db2.gz WPSCAZRSIPCTSS-SFHVURJKSA-N 2 0 333.476 2.038 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653867995 471763392 /nfs/dbraw/zinc/76/33/92/471763392.db2.gz MECIHGUNVYMKTL-ZDUSSCGKSA-N 2 0 331.451 2.391 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@]1(O)CCCOC1 ZINC000660166788 471889020 /nfs/dbraw/zinc/88/90/20/471889020.db2.gz UWQCRVZWKRJQPD-IBGZPJMESA-N 2 0 333.476 2.161 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667780296 471901716 /nfs/dbraw/zinc/90/17/16/471901716.db2.gz GYYMDZBDYMACIK-RTWAWAEBSA-N 2 0 343.515 2.351 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000654351893 471923775 /nfs/dbraw/zinc/92/37/75/471923775.db2.gz RZWRMQXUGMWUSP-NZSAHSFTSA-N 2 0 346.519 2.491 10 0 EEAERP CC(C)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000654372940 471932258 /nfs/dbraw/zinc/93/22/58/471932258.db2.gz XNOWJDQWYNVKOR-FGTMMUONSA-N 2 0 338.540 2.382 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000665240331 471977348 /nfs/dbraw/zinc/97/73/48/471977348.db2.gz IMRJXOGOIBYVKK-IVAOSVALSA-N 3 0 343.515 2.264 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000665285327 471989767 /nfs/dbraw/zinc/98/97/67/471989767.db2.gz KDRXUBRUYNIJHJ-CQSZACIVSA-N 2 0 347.459 2.057 10 0 EEAERP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H]1CCc2ccccc21 ZINC000662199314 472025072 /nfs/dbraw/zinc/02/50/72/472025072.db2.gz NUYJLJSICKSTNX-KRWDZBQOSA-N 2 0 341.499 2.391 10 0 EEAERP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)C(=O)Nc1ccccc1 ZINC000662255194 472045019 /nfs/dbraw/zinc/04/50/19/472045019.db2.gz AYZQFGBYBHIYHI-NVXWUHKLSA-N 2 0 331.460 2.247 10 0 EEAERP c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260792 472047532 /nfs/dbraw/zinc/04/75/32/472047532.db2.gz QFXAZYKYQNOWRL-LJQANCHMSA-N 2 0 341.499 2.282 10 0 EEAERP COCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC000662340330 472077544 /nfs/dbraw/zinc/07/75/44/472077544.db2.gz UTYBIZANZQFYBS-GOSISDBHSA-N 2 0 347.503 2.344 10 0 EEAERP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711313 472219163 /nfs/dbraw/zinc/21/91/63/472219163.db2.gz AAOVBCGRMPJYDZ-ROUUACIJSA-N 2 0 329.488 2.403 10 0 EEAERP [NH3+]C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002783 472324007 /nfs/dbraw/zinc/32/40/07/472324007.db2.gz IXMWZCSBNIOEAE-YJBOKZPZSA-N 2 0 333.451 2.106 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCCN1Cc1ccccn1 ZINC000673656218 485487542 /nfs/dbraw/zinc/48/75/42/485487542.db2.gz UEQCPUGDMSYGPV-SFHVURJKSA-N 2 0 348.410 2.265 10 0 EEAERP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000685716999 486176444 /nfs/dbraw/zinc/17/64/44/486176444.db2.gz MEOATXPIJQUWRZ-CVEARBPZSA-N 2 0 333.476 2.289 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000677008618 486362257 /nfs/dbraw/zinc/36/22/57/486362257.db2.gz KZPZVXDUTUTOAO-ADKAHSJRSA-N 2 0 336.524 2.423 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000415930498 528354549 /nfs/dbraw/zinc/35/45/49/528354549.db2.gz KMYLAEHBRSMVKH-MRXNPFEDSA-N 2 0 348.491 2.419 10 0 EEAERP CC[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416149014 528969497 /nfs/dbraw/zinc/96/94/97/528969497.db2.gz VTMBXPFXFLULMM-UHFFFAOYSA-N 2 0 329.488 2.378 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000187479941 528989107 /nfs/dbraw/zinc/98/91/07/528989107.db2.gz ACCZTOZDAFUZRZ-OALUTQOASA-N 2 0 346.519 2.489 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000423075547 536596733 /nfs/dbraw/zinc/59/67/33/536596733.db2.gz XHURZGJOFHEPGI-OAHLLOKOSA-N 2 0 337.855 2.073 10 0 EEAERP CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)OCCCO1 ZINC000752925096 577778376 /nfs/dbraw/zinc/77/83/76/577778376.db2.gz SQKRCXYFBWTYTM-UHFFFAOYSA-N 2 0 334.460 2.404 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000925606738 684619595 /nfs/dbraw/zinc/61/95/95/684619595.db2.gz QEJJLTCWRWWBTG-AQNXPRMDSA-N 3 0 336.568 2.016 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924794963 694295543 /nfs/dbraw/zinc/29/55/43/694295543.db2.gz JYUUWYBARGLDNM-LJQANCHMSA-N 2 0 347.503 2.330 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897823361 691793452 /nfs/dbraw/zinc/79/34/52/691793452.db2.gz WJYGKHUEEPITEC-RMMWZPCPSA-N 2 0 328.456 2.427 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC[N@@H+]1C ZINC000925326256 692473280 /nfs/dbraw/zinc/47/32/80/692473280.db2.gz PZABIVKAFCLYSV-HKUYNNGSSA-N 2 0 346.519 2.285 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccnnc1 ZINC000924720551 693276933 /nfs/dbraw/zinc/27/69/33/693276933.db2.gz ADUAHJRTYUFHNF-MRXNPFEDSA-N 2 0 325.460 2.075 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\C=C(Cl)Cl)C[C@H]1C[NH+](C)C ZINC000899158928 693631066 /nfs/dbraw/zinc/63/10/66/693631066.db2.gz SJHGCBUWOGNCOP-WFMXKNRHSA-N 2 0 334.291 2.059 10 0 EEAERP C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001485503402 1191818077 /nfs/dbraw/zinc/81/80/77/1191818077.db2.gz MKZXQRAXIDHIHT-CABCVRRESA-N 2 0 327.488 2.436 10 0 EEAERP CCC/C=C/CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001485555366 1191833831 /nfs/dbraw/zinc/83/38/31/1191833831.db2.gz KCJRCCYJWHHOMC-OANMOWAGSA-N 2 0 349.519 2.130 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588509 1191858620 /nfs/dbraw/zinc/85/86/20/1191858620.db2.gz ZHPODYJDMFOUPK-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[NH+]1CCCCCC1 ZINC001485621047 1191859966 /nfs/dbraw/zinc/85/99/66/1191859966.db2.gz RNZBJBSGDACQFT-OWYHZJEWSA-N 2 0 333.520 2.345 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485715042 1191906359 /nfs/dbraw/zinc/90/63/59/1191906359.db2.gz RKPJVVPMCBECTI-WCQYABFASA-N 2 0 344.912 2.265 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813126 1191977383 /nfs/dbraw/zinc/97/73/83/1191977383.db2.gz GDMHJNPRPFPHIC-OALUTQOASA-N 2 0 344.503 2.283 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001485815364 1191979328 /nfs/dbraw/zinc/97/93/28/1191979328.db2.gz ZKDIQEABNRPEKP-QZTJIDSGSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702153 1177227772 /nfs/dbraw/zinc/22/77/72/1177227772.db2.gz QLHBBDKTKVJKIS-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)C12CCC[NH+](CCC1)C2 ZINC001266739011 1177328652 /nfs/dbraw/zinc/32/86/52/1177328652.db2.gz UDYFACLDPRGPIK-UHFFFAOYSA-N 2 0 334.291 2.229 10 0 EEAERP C[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001266851668 1177555459 /nfs/dbraw/zinc/55/54/59/1177555459.db2.gz BNZCQIMBDZLNCO-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001691106513 1177584149 /nfs/dbraw/zinc/58/41/49/1177584149.db2.gz XQXZVTCHHZUXBP-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266874705 1177680892 /nfs/dbraw/zinc/68/08/92/1177680892.db2.gz QLZBDLWXIDKSNV-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCCN1CCOCC1 ZINC001691304506 1177867159 /nfs/dbraw/zinc/86/71/59/1177867159.db2.gz BUXCSUPSMYPNDY-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267185803 1178449784 /nfs/dbraw/zinc/44/97/84/1178449784.db2.gz SRCQZCKEHTUIRD-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001267274340 1178656607 /nfs/dbraw/zinc/65/66/07/1178656607.db2.gz TYBCICCODQNUPI-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CC1(Cl)Cl)[NH+](C)C ZINC001691465472 1178895658 /nfs/dbraw/zinc/89/56/58/1178895658.db2.gz VUXYBDAJDGTDIU-CHWSQXEVSA-N 2 0 338.323 2.205 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267386501 1178947648 /nfs/dbraw/zinc/94/76/48/1178947648.db2.gz JQCFSUJQKDFACA-MRXNPFEDSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267428769 1178996036 /nfs/dbraw/zinc/99/60/36/1178996036.db2.gz BOPKHKAFANZMGQ-MRXNPFEDSA-N 2 0 346.519 2.403 10 0 EEAERP O=C(NCC[C@@H]1CC[N@@H+](CCCCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001267531013 1179279278 /nfs/dbraw/zinc/27/92/78/1179279278.db2.gz JWNFOGTZJPHKLL-AEFFLSMTSA-N 2 0 339.499 2.296 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H](CC[NH2+]CCCF)C2)CC1 ZINC001267898287 1180717433 /nfs/dbraw/zinc/71/74/33/1180717433.db2.gz PKPKOQLBXOLBBI-KRWDZBQOSA-N 2 0 327.488 2.296 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001481342711 1181074048 /nfs/dbraw/zinc/07/40/48/1181074048.db2.gz QBVJUDMNQWPZKP-YOEHRIQHSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481466069 1181483654 /nfs/dbraw/zinc/48/36/54/1181483654.db2.gz WKZKANMKHMRNPC-HZPDHXFCSA-N 2 0 348.491 2.078 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001268133064 1181788056 /nfs/dbraw/zinc/78/80/56/1181788056.db2.gz IJORMHVXKAMMFN-KDOFPFPSSA-N 2 0 344.459 2.119 10 0 EEAERP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001268178613 1181961194 /nfs/dbraw/zinc/96/11/94/1181961194.db2.gz GCSDCDAMJLSORN-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP Cc1ccccc1OCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268397655 1182475930 /nfs/dbraw/zinc/47/59/30/1182475930.db2.gz YRUPLCNCUKLEHS-ROUUACIJSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001268411613 1182556338 /nfs/dbraw/zinc/55/63/38/1182556338.db2.gz PFGPTXBAHGGNOY-CQSZACIVSA-N 2 0 338.521 2.168 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCF ZINC001483622989 1182730605 /nfs/dbraw/zinc/73/06/05/1182730605.db2.gz HOUMMUTZKICLOV-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(C)ccc1OC ZINC001481823692 1182743268 /nfs/dbraw/zinc/74/32/68/1182743268.db2.gz JWWMLINIZRGZFP-QZTJIDSGSA-N 2 0 347.503 2.472 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C1CC[NH+](C)CC1 ZINC001268475533 1182889986 /nfs/dbraw/zinc/88/99/86/1182889986.db2.gz FDHYNYYEDZPQQQ-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCN(CC[NH2+]Cc1cc(O)ccc1Cl)C(=O)C[N@H+](C)C(C)C ZINC001268500617 1183045648 /nfs/dbraw/zinc/04/56/48/1183045648.db2.gz YIJKIFXVNURSET-UHFFFAOYSA-N 2 0 341.883 2.324 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001482007764 1183130030 /nfs/dbraw/zinc/13/00/30/1183130030.db2.gz FEDBVLGZEJBBOD-HOTGVXAUSA-N 2 0 348.491 2.266 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2F)CC1 ZINC001482021846 1183147380 /nfs/dbraw/zinc/14/73/80/1183147380.db2.gz CVLMHLODHQHSKY-SHTZXODSSA-N 2 0 339.430 2.434 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001482027691 1183157289 /nfs/dbraw/zinc/15/72/89/1183157289.db2.gz LTFMMNVGNNCEJK-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]C[C@@H]2CC[C@H](C)O2)ccc2c[nH+]cn21 ZINC001268557646 1183251302 /nfs/dbraw/zinc/25/13/02/1183251302.db2.gz GAKUKAXYLKZMFB-JNPAJOFYSA-N 2 0 342.443 2.086 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001268561717 1183262974 /nfs/dbraw/zinc/26/29/74/1183262974.db2.gz BUTJPQRAXCUYSC-SNAWJCMRSA-N 2 0 327.472 2.120 10 0 EEAERP CCc1nocc1C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482070018 1183295206 /nfs/dbraw/zinc/29/52/06/1183295206.db2.gz JLKVXAPLNRNHSY-UHFFFAOYSA-N 2 0 348.491 2.003 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001482167262 1183489409 /nfs/dbraw/zinc/48/94/09/1183489409.db2.gz CYJHRXFCVJDKTL-HOCLYGCPSA-N 2 0 337.895 2.176 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001268628782 1183552570 /nfs/dbraw/zinc/55/25/70/1183552570.db2.gz PYUBZYBNNDUESH-ADDHZHGLSA-N 2 0 345.487 2.330 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001268674407 1183600960 /nfs/dbraw/zinc/60/09/60/1183600960.db2.gz SKUQMYRPBQWDIE-MRXNPFEDSA-N 2 0 335.467 2.339 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1Cl)[NH+](C)C ZINC001268704484 1183625361 /nfs/dbraw/zinc/62/53/61/1183625361.db2.gz FIBSFBURNUZZNH-LRDDRELGSA-N 2 0 343.874 2.456 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)cnc2c1 ZINC001268757847 1183672740 /nfs/dbraw/zinc/67/27/40/1183672740.db2.gz FAFVGZJGWHQGLM-SJORKVTESA-N 2 0 344.459 2.167 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C2([NH+](C)C)CCC2)sc1C ZINC001268797003 1183714287 /nfs/dbraw/zinc/71/42/87/1183714287.db2.gz AGRWTHKVQWFQAO-UHFFFAOYSA-N 2 0 338.521 2.182 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001268915026 1183823889 /nfs/dbraw/zinc/82/38/89/1183823889.db2.gz HXPQNWOVLVHVEC-CYBMUJFWSA-N 2 0 348.318 2.104 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)no1 ZINC001269765816 1184602791 /nfs/dbraw/zinc/60/27/91/1184602791.db2.gz LLISLZNAZBHYSG-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364537 1185519199 /nfs/dbraw/zinc/51/91/99/1185519199.db2.gz LJBKXNOKVTULBL-AWEZNQCLSA-N 2 0 336.480 2.139 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCCCCF ZINC001482422688 1185667560 /nfs/dbraw/zinc/66/75/60/1185667560.db2.gz KYITXQOOKNZURI-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]C/C=C\Cl)CC1 ZINC001482456746 1185878975 /nfs/dbraw/zinc/87/89/75/1185878975.db2.gz SWUZIHFRFWIOAY-ANOSYLROSA-N 2 0 327.900 2.442 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001482459436 1185918944 /nfs/dbraw/zinc/91/89/44/1185918944.db2.gz YZSORTDCVPWWHY-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccc2)C1 ZINC001482461448 1185926577 /nfs/dbraw/zinc/92/65/77/1185926577.db2.gz OVAXBMGAHSPQPH-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001482461906 1185928851 /nfs/dbraw/zinc/92/88/51/1185928851.db2.gz LHHYRQNQEUJAFJ-NVXWUHKLSA-N 2 0 336.480 2.184 10 0 EEAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001482467784 1185968044 /nfs/dbraw/zinc/96/80/44/1185968044.db2.gz GXEUFQQPDWQPCW-IAGOWNOFSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001271686070 1186371059 /nfs/dbraw/zinc/37/10/59/1186371059.db2.gz WHKKIAJOMHRCRW-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1 ZINC001271758435 1186464294 /nfs/dbraw/zinc/46/42/94/1186464294.db2.gz XDIYNZWMFHSQTJ-UIBVFNBCSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001482531850 1186529602 /nfs/dbraw/zinc/52/96/02/1186529602.db2.gz BXLLLNWXVOWLPW-DLBZAZTESA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001482569585 1186903730 /nfs/dbraw/zinc/90/37/30/1186903730.db2.gz CBATYCJMAOHCNJ-RTBURBONSA-N 2 0 331.504 2.220 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001482868072 1187788456 /nfs/dbraw/zinc/78/84/56/1187788456.db2.gz PHOTXWTXUKXASU-WCQYABFASA-N 2 0 346.928 2.367 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482870798 1187790634 /nfs/dbraw/zinc/79/06/34/1187790634.db2.gz GWKBONKZYJQVNX-JKSUJKDBSA-N 2 0 342.487 2.494 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001482898336 1187810058 /nfs/dbraw/zinc/81/00/58/1187810058.db2.gz CJTLJXIWXJRSKD-ROUUACIJSA-N 2 0 343.515 2.372 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482892102 1187819435 /nfs/dbraw/zinc/81/94/35/1187819435.db2.gz WGFUXQHJWBMDMM-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001483012263 1187994440 /nfs/dbraw/zinc/99/44/40/1187994440.db2.gz SXWZCQFNFYEION-LSTKMXGYSA-N 2 0 327.472 2.099 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001483012233 1187994737 /nfs/dbraw/zinc/99/47/37/1187994737.db2.gz SXWZCQFNFYEION-AXMVSILFSA-N 2 0 327.472 2.099 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CCC(F)(F)CC1)C12CC[NH+](CC1)C2 ZINC001483084460 1188445314 /nfs/dbraw/zinc/44/53/14/1188445314.db2.gz ZAKSSZJTRFVJDI-UPHRSURJSA-N 2 0 341.446 2.170 10 0 EEAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1cn2c(n1)CCCC2 ZINC001483130694 1188622235 /nfs/dbraw/zinc/62/22/35/1188622235.db2.gz ZKPMKRMCBWYZHE-CQSZACIVSA-N 2 0 332.492 2.292 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272866394 1193583946 /nfs/dbraw/zinc/58/39/46/1193583946.db2.gz WOWHURLUIDNSIG-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166790 1189003004 /nfs/dbraw/zinc/00/30/04/1189003004.db2.gz OTYZHOBWZXYNQL-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCc2ccccc2)CC1 ZINC001483181096 1189046547 /nfs/dbraw/zinc/04/65/47/1189046547.db2.gz UIRPVTQVCOKDRP-QGZVFWFLSA-N 2 0 331.504 2.444 10 0 EEAERP CCCc1ccc(C[NH2+]C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001483183860 1189054852 /nfs/dbraw/zinc/05/48/52/1189054852.db2.gz GBGKPDYKEDIIEY-MRXNPFEDSA-N 2 0 329.488 2.329 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485838102 1193608391 /nfs/dbraw/zinc/60/83/91/1193608391.db2.gz UADSFEXPFORORO-MOPGFXCFSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001409413982 1189645648 /nfs/dbraw/zinc/64/56/48/1189645648.db2.gz PRDXYCHNNYIJNM-RYUDHWBXSA-N 2 0 329.847 2.414 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485955726 1193648103 /nfs/dbraw/zinc/64/81/03/1193648103.db2.gz QAYRCPWQGMERGA-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001409680823 1190181008 /nfs/dbraw/zinc/18/10/08/1190181008.db2.gz FEPYRUIZHKVXMM-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(CNC[C@H](C)NC(=O)[C@@H](c2ccccc2)N(C)C)oc1C ZINC001483298031 1190321129 /nfs/dbraw/zinc/32/11/29/1190321129.db2.gz HCLMUQZWJOBHEQ-SCLBCKFNSA-N 2 0 344.459 2.189 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483599644 1190579519 /nfs/dbraw/zinc/57/95/19/1190579519.db2.gz VSITYARWPHFYAT-YJBOKZPZSA-N 2 0 333.451 2.152 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486122657 1193688189 /nfs/dbraw/zinc/68/81/89/1193688189.db2.gz SYMZLNJZTPEXMB-YJBOKZPZSA-N 2 0 349.523 2.193 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)C[NH+]1CCCC1 ZINC001486125589 1193689044 /nfs/dbraw/zinc/68/90/44/1193689044.db2.gz CCGJSGIJMOVQOC-ROUUACIJSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1cc(CN2CCCCC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)on1 ZINC001409828533 1190659795 /nfs/dbraw/zinc/65/97/95/1190659795.db2.gz ORFGEQVUMRAEKL-RDJZCZTQSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCOC1CCC1)C12CCC[NH+]1CCC2 ZINC001272280915 1190738301 /nfs/dbraw/zinc/73/83/01/1190738301.db2.gz NSRASQGAFFCTTI-FUHWJXTLSA-N 2 0 349.519 2.058 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001483694285 1190769360 /nfs/dbraw/zinc/76/93/60/1190769360.db2.gz VGWVNTHLZJFKFG-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CC1CCC(F)(F)CC1 ZINC001483701705 1190776869 /nfs/dbraw/zinc/77/68/69/1190776869.db2.gz IRAJBIXWBZMGFL-HNNXBMFYSA-N 2 0 329.435 2.098 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CCc2cccs2)C1)C12CC[NH+](CC1)C2 ZINC001272616135 1190931249 /nfs/dbraw/zinc/93/12/49/1190931249.db2.gz KADUOEMQFMCGIX-INIZCTEOSA-N 2 0 347.528 2.215 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C(C)C)n2)CC1)[NH+](C)C ZINC001483768218 1191002461 /nfs/dbraw/zinc/00/24/61/1191002461.db2.gz LHLKCJHBLFXDEG-KRWDZBQOSA-N 2 0 332.492 2.284 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001483790590 1191031122 /nfs/dbraw/zinc/03/11/22/1191031122.db2.gz JKZLOTXPXGOZNC-WMZJFQQLSA-N 2 0 327.472 2.424 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001483950843 1191129380 /nfs/dbraw/zinc/12/93/80/1191129380.db2.gz SMYSAHYYFGUNMA-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CCCC2)CC1 ZINC001484006945 1191148971 /nfs/dbraw/zinc/14/89/71/1191148971.db2.gz PTTZGEKHCMJXSM-VCIFKONDSA-N 2 0 327.900 2.345 10 0 EEAERP CC1CCC(C[N@@H+]2CC[C@](C)(NC(=O)Cc3cncn3C)C2)CC1 ZINC001484068449 1191194779 /nfs/dbraw/zinc/19/47/79/1191194779.db2.gz RJGXGTFHQIXKCR-RJYAGPCLSA-N 2 0 332.492 2.370 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001484124209 1191223009 /nfs/dbraw/zinc/22/30/09/1191223009.db2.gz GKQNDTKDMRAWCX-GOEBONIOSA-N 2 0 349.441 2.499 10 0 EEAERP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001484442237 1191350368 /nfs/dbraw/zinc/35/03/68/1191350368.db2.gz FABPCMDRDYXHMA-ICSRJNTNSA-N 2 0 347.503 2.033 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001484726772 1191486373 /nfs/dbraw/zinc/48/63/73/1191486373.db2.gz RFXCMGUIVIZIGF-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1)C1CCC1 ZINC001484864908 1191555323 /nfs/dbraw/zinc/55/53/23/1191555323.db2.gz PWJSFBLMYPLLHS-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cncc(C)c2)CC1 ZINC001484926336 1191573313 /nfs/dbraw/zinc/57/33/13/1191573313.db2.gz PGXNQLNRGXPYJL-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC(C)n1ccc(CN2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988062 1191604352 /nfs/dbraw/zinc/60/43/52/1191604352.db2.gz OLNNOOBZOFJIMH-IRXDYDNUSA-N 2 0 349.523 2.273 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001485045054 1191624508 /nfs/dbraw/zinc/62/45/08/1191624508.db2.gz KAHZSRGUUFTXGV-UYAOXDASSA-N 2 0 327.472 2.420 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)NCc1ncc(Cl)s1 ZINC001485158041 1191673164 /nfs/dbraw/zinc/67/31/64/1191673164.db2.gz WUBMYEUWFHHLGV-WDEREUQCSA-N 2 0 344.912 2.264 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001485181895 1191679673 /nfs/dbraw/zinc/67/96/73/1191679673.db2.gz UESDBUWCASCGNU-QWHCGFSZSA-N 2 0 338.521 2.309 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](CCOC2CCC2)CC3)CC1 ZINC001486149160 1193699872 /nfs/dbraw/zinc/69/98/72/1193699872.db2.gz OIBJYANPIZRBBD-XLIONFOSSA-N 2 0 349.519 2.011 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001486160578 1193706482 /nfs/dbraw/zinc/70/64/82/1193706482.db2.gz OLJJZLCMNPANST-HOJAQTOUSA-N 2 0 349.519 2.012 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001486209656 1193750220 /nfs/dbraw/zinc/75/02/20/1193750220.db2.gz AGUYXSLLVMBPBI-GXTWGEPZSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486240481 1193766677 /nfs/dbraw/zinc/76/66/77/1193766677.db2.gz LSULAPAQSNHBPK-LSDHHAIUSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001486410620 1193919186 /nfs/dbraw/zinc/91/91/86/1193919186.db2.gz MFWMIXQPOJMFHB-MAUKXSAKSA-N 2 0 346.519 2.352 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccnc2)C(C)(C)C)CC[N@@H+]1C ZINC001486411533 1193919791 /nfs/dbraw/zinc/91/97/91/1193919791.db2.gz NPADEFISMOQFQP-SZMVWBNQSA-N 2 0 346.519 2.432 10 0 EEAERP CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1)OC ZINC001486446532 1193960994 /nfs/dbraw/zinc/96/09/94/1193960994.db2.gz OOSFFYTWGHTAMX-SZMVWBNQSA-N 2 0 341.540 2.214 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001486457315 1193978353 /nfs/dbraw/zinc/97/83/53/1193978353.db2.gz AWNZHWUBJJKMEB-KTBCAXRRSA-N 2 0 327.472 2.373 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272953980 1194196993 /nfs/dbraw/zinc/19/69/93/1194196993.db2.gz GSIDUCBCPKESPV-HOCLYGCPSA-N 2 0 336.480 2.267 10 0 EEAERP COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001409966203 1194692405 /nfs/dbraw/zinc/69/24/05/1194692405.db2.gz HMWFHBVGEIQGIH-MRXNPFEDSA-N 2 0 347.503 2.280 10 0 EEAERP C[C@@]12CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702078115 1195714790 /nfs/dbraw/zinc/71/47/90/1195714790.db2.gz VGSOEOLNIMVEEV-CMKODMSKSA-N 2 0 327.472 2.109 10 0 EEAERP CC1CC(C[NH2+]CCN(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001493640247 1197241040 /nfs/dbraw/zinc/24/10/40/1197241040.db2.gz BVRLTSWQUPQCKL-UHFFFAOYSA-N 2 0 331.504 2.498 10 0 EEAERP Cc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001410114877 1197554484 /nfs/dbraw/zinc/55/44/84/1197554484.db2.gz HMONLBJRXKJGEZ-HAGHYFMRSA-N 2 0 343.515 2.375 10 0 EEAERP Cc1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001410146931 1197571199 /nfs/dbraw/zinc/57/11/99/1197571199.db2.gz KCFXLGUZQJTWGF-WTGUMLROSA-N 2 0 341.499 2.131 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C1 ZINC001410183036 1197590245 /nfs/dbraw/zinc/59/02/45/1197590245.db2.gz LCEPRUHGOSZWGS-MGPQQGTHSA-N 2 0 335.414 2.107 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410501737 1198056751 /nfs/dbraw/zinc/05/67/51/1198056751.db2.gz RABJCTWTEYXNOM-QAPCUYQASA-N 2 0 346.519 2.402 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1F ZINC001410506018 1198063059 /nfs/dbraw/zinc/06/30/59/1198063059.db2.gz YBBBJSLAVFWKRD-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@H](CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872257719 1198114867 /nfs/dbraw/zinc/11/48/67/1198114867.db2.gz VBOHIWBQCDLOQX-SPUZQDLCSA-N 2 0 329.444 2.047 10 0 EEAERP Brc1ncccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000865414728 1198205261 /nfs/dbraw/zinc/20/52/61/1198205261.db2.gz CXLCXDWVBREVSW-UHFFFAOYSA-N 2 0 328.254 2.046 10 0 EEAERP c1c(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)nnn1Cc1cccnc1 ZINC000873232637 1198537335 /nfs/dbraw/zinc/53/73/35/1198537335.db2.gz JZZFQDCLRQONMQ-SFHVURJKSA-N 2 0 340.475 2.123 10 0 EEAERP CC[N@@H+]1CC[C@@]2(NC(=O)CN(C)CCc3ccccc3)CCC[C@@H]12 ZINC001410893590 1198548008 /nfs/dbraw/zinc/54/80/08/1198548008.db2.gz GXZXFNIARGYTQQ-QUCCMNQESA-N 2 0 329.488 2.294 10 0 EEAERP C[N@@H+]1CCCC12CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC2 ZINC000810868927 1199798595 /nfs/dbraw/zinc/79/85/95/1199798595.db2.gz YTBTVULKDHQNEO-SFHVURJKSA-N 2 0 325.472 2.286 10 0 EEAERP C/C(=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000870023363 1200412694 /nfs/dbraw/zinc/41/26/94/1200412694.db2.gz VPXIOJIROKYVBN-MGJGCBFKSA-N 2 0 347.478 2.427 10 0 EEAERP C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000878393602 1200442593 /nfs/dbraw/zinc/44/25/93/1200442593.db2.gz ZFHNCOHYVFNIRV-JBVUFVISSA-N 2 0 327.472 2.375 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000870857099 1200914528 /nfs/dbraw/zinc/91/45/28/1200914528.db2.gz WRWTUTLOWANEIK-NLWGTHIKSA-N 2 0 327.472 2.416 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000870863262 1200917955 /nfs/dbraw/zinc/91/79/55/1200917955.db2.gz WNPOIYZQGSNZJM-IPCDKGFNSA-N 2 0 327.472 2.472 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870895447 1200939449 /nfs/dbraw/zinc/93/94/49/1200939449.db2.gz BUIRACQSKIMUCI-BNDYYXHWSA-N 2 0 341.499 2.484 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870926614 1200960201 /nfs/dbraw/zinc/96/02/01/1200960201.db2.gz JTJRVMIUQNSDKW-UHFFFAOYSA-N 2 0 348.516 2.357 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ncccc2C)C1 ZINC001274296573 1204988294 /nfs/dbraw/zinc/98/82/94/1204988294.db2.gz ANGXSJVTVVHCHA-WRFKIARRSA-N 2 0 344.503 2.274 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001274498036 1205058010 /nfs/dbraw/zinc/05/80/10/1205058010.db2.gz CTJYPVMQDPOSQH-KZSQQDEKSA-N 2 0 335.879 2.444 10 0 EEAERP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001275251106 1205291025 /nfs/dbraw/zinc/29/10/25/1205291025.db2.gz OXPVGHGRLVBPJF-QYEFSBCOSA-N 2 0 330.476 2.286 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000924777564 1206030636 /nfs/dbraw/zinc/03/06/36/1206030636.db2.gz QMWCABAAYVSMOJ-LUTGFWOYSA-N 2 0 343.471 2.234 10 0 EEAERP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925496475 1206119504 /nfs/dbraw/zinc/11/95/04/1206119504.db2.gz VBJFYRAIWVIWMO-MOPGFXCFSA-N 2 0 329.488 2.483 10 0 EEAERP O=C(NCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1F ZINC000925497483 1206119540 /nfs/dbraw/zinc/11/95/40/1206119540.db2.gz ZWZAQRDFXUWBAS-FUHWJXTLSA-N 2 0 333.451 2.313 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925517646 1206121941 /nfs/dbraw/zinc/12/19/41/1206121941.db2.gz XLGAGCBJLCMCRW-AABGKKOBSA-N 2 0 343.515 2.385 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710153 1206145313 /nfs/dbraw/zinc/14/53/13/1206145313.db2.gz HQPZGABETFJRHO-YRPNKDGESA-N 3 0 343.515 2.119 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000925814434 1206156836 /nfs/dbraw/zinc/15/68/36/1206156836.db2.gz JJYVQYUDPPQQAK-MRXNPFEDSA-N 2 0 338.293 2.449 10 0 EEAERP COc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000925829498 1206158412 /nfs/dbraw/zinc/15/84/12/1206158412.db2.gz OTWPFPMOXWRACU-WKPIXPDZSA-N 2 0 343.265 2.300 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925849196 1206159974 /nfs/dbraw/zinc/15/99/74/1206159974.db2.gz BRBLQIRRLXWZGI-GOEBONIOSA-N 2 0 348.418 2.314 10 0 EEAERP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925854500 1206161206 /nfs/dbraw/zinc/16/12/06/1206161206.db2.gz RTQMWJPEMMCOOU-RVKKMQEKSA-N 2 0 346.471 2.462 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925857260 1206161726 /nfs/dbraw/zinc/16/17/26/1206161726.db2.gz ZHQNNCLISZUBJM-QZTJIDSGSA-N 2 0 328.456 2.283 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1CC[NH3+] ZINC000926031844 1206183953 /nfs/dbraw/zinc/18/39/53/1206183953.db2.gz LXKRVEVSJCWPMH-HZPDHXFCSA-N 2 0 348.491 2.466 10 0 EEAERP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720809987 1215903383 /nfs/dbraw/zinc/90/33/83/1215903383.db2.gz JAQGYTVCFKGZEC-OXFYSEKESA-N 2 0 327.472 2.107 10 0 EEAERP CC(C)C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCOCC1 ZINC000902740541 1238364984 /nfs/dbraw/zinc/36/49/84/1238364984.db2.gz WNVZJZXQPAANFB-IBGZPJMESA-N 2 0 325.541 2.443 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902796074 1238551418 /nfs/dbraw/zinc/55/14/18/1238551418.db2.gz MGHPTRILIBKZAM-IAGOWNOFSA-N 2 0 327.476 2.159 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827075941 1249786052 /nfs/dbraw/zinc/78/60/52/1249786052.db2.gz IICOEHMNOZDUTI-IUODEOHRSA-N 2 0 338.883 2.281 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000903433230 1240459373 /nfs/dbraw/zinc/45/93/73/1240459373.db2.gz WCUXSVNKDVAGKX-RDBSUJKOSA-N 2 0 346.393 2.232 10 0 EEAERP Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903496903 1240675639 /nfs/dbraw/zinc/67/56/39/1240675639.db2.gz JNWOOCYBSIYYMO-QZTJIDSGSA-N 2 0 331.504 2.187 10 0 EEAERP c1ccc(COCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903505887 1240715816 /nfs/dbraw/zinc/71/58/16/1240715816.db2.gz KTWPQDAXFVBIMH-BGYRXZFFSA-N 2 0 329.488 2.104 10 0 EEAERP CN(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)c1ccccc1 ZINC000903508457 1240726147 /nfs/dbraw/zinc/72/61/47/1240726147.db2.gz HMICOOYPMUYJOS-BGYRXZFFSA-N 2 0 328.504 2.023 10 0 EEAERP Cc1c(C[C@H](C[NH3+])CN2CC[NH+](C3CCC(C)CC3)CC2)cnn1C ZINC000903892788 1242358144 /nfs/dbraw/zinc/35/81/44/1242358144.db2.gz MPQGRDLMMATKQL-KGXSXCIVSA-N 2 0 347.551 2.042 10 0 EEAERP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903896935 1242376485 /nfs/dbraw/zinc/37/64/85/1242376485.db2.gz BRMLZMWCIQECHF-DJIMGWMZSA-N 2 0 335.496 2.228 10 0 EEAERP C[C@@H](CCCc1cccnc1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903929042 1242538907 /nfs/dbraw/zinc/53/89/07/1242538907.db2.gz ADFYSFUWIUXOPF-RDJZCZTQSA-N 2 0 328.464 2.099 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2cnccc2C(C)(C)C)cnn1C ZINC000903929617 1242540691 /nfs/dbraw/zinc/54/06/91/1242540691.db2.gz HYRQREAOGGMSTB-HNNXBMFYSA-N 2 0 329.492 2.328 10 0 EEAERP c1ccc(CN2CCO[C@H]3C[N@@H+](CC4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]32)cc1 ZINC000903932734 1242557173 /nfs/dbraw/zinc/55/71/73/1242557173.db2.gz GFSGTINLHKLCCH-VKQJQLINSA-N 2 0 341.499 2.102 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cnn1C ZINC000903937921 1242589646 /nfs/dbraw/zinc/58/96/46/1242589646.db2.gz VLJHSZZQRSDXEY-QFBILLFUSA-N 2 0 334.508 2.270 10 0 EEAERP CCCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1 ZINC000903978223 1242833592 /nfs/dbraw/zinc/83/35/92/1242833592.db2.gz AXZDFKSZONAOAB-FCEWJHQRSA-N 2 0 332.444 2.188 10 0 EEAERP COCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490984046 1258539426 /nfs/dbraw/zinc/53/94/26/1258539426.db2.gz QDCXLFFPUKMLJI-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001491022663 1258579988 /nfs/dbraw/zinc/57/99/88/1258579988.db2.gz DIIDYFKTLQQGMJ-GASCZTMLSA-N 2 0 339.505 2.085 10 0 EEAERP CO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C)C1CCC1 ZINC001491235661 1258822748 /nfs/dbraw/zinc/82/27/48/1258822748.db2.gz FVJPORYNSLQBCP-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001491235726 1258823051 /nfs/dbraw/zinc/82/30/51/1258823051.db2.gz GMBAUKVEIPNXCD-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(OC)cc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273569329 1279994166 /nfs/dbraw/zinc/99/41/66/1279994166.db2.gz MSKHGYGRIBYXGY-WMZOPIPTSA-N 2 0 347.503 2.364 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273609964 1281121299 /nfs/dbraw/zinc/12/12/99/1281121299.db2.gz FVPVLNXSCGWYRF-INIZCTEOSA-N 2 0 342.487 2.448 10 0 EEAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001273757023 1284924281 /nfs/dbraw/zinc/92/42/81/1284924281.db2.gz MXKZHBYTBKMSGV-INIZCTEOSA-N 2 0 325.472 2.049 10 0 EEAERP CCC1([NH2+]CCC[C@@H](C)O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001273782846 1285657611 /nfs/dbraw/zinc/65/76/11/1285657611.db2.gz PAVHOVPKSGOGMQ-IAGOWNOFSA-N 2 0 341.540 2.094 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001489237771 1290486613 /nfs/dbraw/zinc/48/66/13/1290486613.db2.gz BUAYHNRKINUSAB-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCN(CCCNC(=O)CC1CC[NH+](C)CC1)Cc1nccs1 ZINC001490348715 1291169477 /nfs/dbraw/zinc/16/94/77/1291169477.db2.gz GQIUCYALPCTPCO-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732072 1292179388 /nfs/dbraw/zinc/17/93/88/1292179388.db2.gz QGVXIFPPOSEXOQ-BZSNNMDCSA-N 2 0 340.895 2.444 10 0 EEAERP CC1(C)CN(C(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852866054 1292220450 /nfs/dbraw/zinc/22/04/50/1292220450.db2.gz FAQIRVWRFIZGOT-UHFFFAOYSA-N 2 0 327.472 2.419 10 0 EEAERP O=C(C=C1CC[NH2+]CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000852883819 1292224544 /nfs/dbraw/zinc/22/45/44/1292224544.db2.gz OSGPRWZGJVCVAE-UHFFFAOYSA-N 2 0 341.499 2.463 10 0 EEAERP CSc1nc2ncnc(NCCN(C)CCC[NH+](C)C)c2s1 ZINC000853800050 1292458164 /nfs/dbraw/zinc/45/81/64/1292458164.db2.gz YHLSKDIWRKVQBY-UHFFFAOYSA-N 2 0 340.522 2.104 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000863210518 1296150678 /nfs/dbraw/zinc/15/06/78/1296150678.db2.gz MYNFDJSUYAFERV-IAGOWNOFSA-N 2 0 338.565 2.342 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001490916383 1297208266 /nfs/dbraw/zinc/20/82/66/1297208266.db2.gz FXPJOPVVPOAVRT-ZHALLVOQSA-N 2 0 345.487 2.013 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cc(C)no2)CC[N@@H+]1C ZINC001277193598 1301750998 /nfs/dbraw/zinc/75/09/98/1301750998.db2.gz JRIYBWHSLRDYSQ-RRQGHBQHSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1C)[NH+](C)C ZINC001277940110 1305207275 /nfs/dbraw/zinc/20/72/75/1305207275.db2.gz BVQDPKXDEOEUDT-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C2CCCC2)CC[N@@H+]1C ZINC001278266559 1308933497 /nfs/dbraw/zinc/93/34/97/1308933497.db2.gz FNPVWEQZEGNQIY-XIRDDKMYSA-N 2 0 327.488 2.341 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001276404729 1315637526 /nfs/dbraw/zinc/63/75/26/1315637526.db2.gz KJYXQUCXLGXPGD-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278673920 1317645950 /nfs/dbraw/zinc/64/59/50/1317645950.db2.gz WPMUQIHPPCPMKK-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C[NH2+]CCF)C1 ZINC001264005317 1322582062 /nfs/dbraw/zinc/58/20/62/1322582062.db2.gz RRXDKCPPRZEXJW-QAPCUYQASA-N 2 0 339.499 2.295 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264196969 1322664685 /nfs/dbraw/zinc/66/46/85/1322664685.db2.gz PZVIERRXMQVNSV-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001264740420 1322797095 /nfs/dbraw/zinc/79/70/95/1322797095.db2.gz RABITTXWELTTMV-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCOC)CC(C)(C)C1)[NH+](C)C ZINC001264753685 1322808744 /nfs/dbraw/zinc/80/87/44/1322808744.db2.gz MOJTUARYUOCMGC-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@H]1CC(C)(C)CO1 ZINC001265120061 1322930433 /nfs/dbraw/zinc/93/04/33/1322930433.db2.gz ZITUYRODIBQRPV-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001265540424 1323212196 /nfs/dbraw/zinc/21/21/96/1323212196.db2.gz QCLFPRWIRFQICM-FGTMMUONSA-N 2 0 347.528 2.259 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC001265912296 1323481576 /nfs/dbraw/zinc/48/15/76/1323481576.db2.gz USUBCHJTIQUMPG-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccc(Cl)s1 ZINC001265974369 1323533807 /nfs/dbraw/zinc/53/38/07/1323533807.db2.gz LCJUUTCOLYXZKN-UHFFFAOYSA-N 2 0 329.897 2.435 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1ccc(F)cc1F ZINC001265978529 1323537826 /nfs/dbraw/zinc/53/78/26/1323537826.db2.gz PTIUNWZMNUHIOZ-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP CC[C@H](F)C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138770 1323709884 /nfs/dbraw/zinc/70/98/84/1323709884.db2.gz SVBUNFHPJNNAMK-DOTOQJQBSA-N 2 0 325.472 2.047 10 0 EEAERP Cc1ncc(CN2CC=C(CNC(=O)CCC[NH+]3CCCC3)CC2)o1 ZINC001279694560 1323980376 /nfs/dbraw/zinc/98/03/76/1323980376.db2.gz CUZVYPYDEHRTIC-UHFFFAOYSA-N 2 0 346.475 2.107 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001280372187 1324182002 /nfs/dbraw/zinc/18/20/02/1324182002.db2.gz WLKNUSCWIYOINK-ULQDDVLXSA-N 2 0 327.488 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCCCCC2CC[NH+](CCF)CC2)C1 ZINC001281062838 1324749631 /nfs/dbraw/zinc/74/96/31/1324749631.db2.gz KGNNMPJPOIKPRK-KRWDZBQOSA-N 2 0 327.488 2.296 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001282084816 1325617412 /nfs/dbraw/zinc/61/74/12/1325617412.db2.gz UDXAUBKUXAXMGB-UHFFFAOYSA-N 2 0 338.883 2.060 10 0 EEAERP COCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001282737935 1325776254 /nfs/dbraw/zinc/77/62/54/1325776254.db2.gz CWIBWDAPVQMGBQ-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001283187382 1325949023 /nfs/dbraw/zinc/94/90/23/1325949023.db2.gz VGAFXNOLCCIQHR-INIZCTEOSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)Cc1c[nH]cn1 ZINC001283249212 1325970769 /nfs/dbraw/zinc/97/07/69/1325970769.db2.gz MTSBRVRHPFGVMJ-GFCCVEGCSA-N 2 0 336.386 2.305 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249352 1325971053 /nfs/dbraw/zinc/97/10/53/1325971053.db2.gz SEGMILFXZHHCPH-SJLPKXTDSA-N 2 0 349.523 2.058 10 0 EEAERP CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001284017457 1326364516 /nfs/dbraw/zinc/36/45/16/1326364516.db2.gz OKOGBJZWVIOQHW-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001284967242 1326799498 /nfs/dbraw/zinc/79/94/98/1326799498.db2.gz NCVUVOWVDKXFDW-RBUKOAKNSA-N 2 0 349.519 2.178 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CCc3cccs3)CC2)C1 ZINC001284977454 1326806708 /nfs/dbraw/zinc/80/67/08/1326806708.db2.gz WYQQHYYLMNDUIY-QGZVFWFLSA-N 2 0 347.528 2.381 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001491601351 1330180624 /nfs/dbraw/zinc/18/06/24/1330180624.db2.gz JQSXNXBBVAPWEW-QAPCUYQASA-N 2 0 332.492 2.247 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(Cl)s1 ZINC001491640159 1330194092 /nfs/dbraw/zinc/19/40/92/1330194092.db2.gz ITSBSKSBKBRFHG-LLVKDONJSA-N 2 0 327.881 2.092 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccns1)c1ccccc1 ZINC001491641282 1330194411 /nfs/dbraw/zinc/19/44/11/1330194411.db2.gz RQFXKHRMZLYQOU-WMLDXEAASA-N 2 0 346.500 2.430 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491682309 1330204204 /nfs/dbraw/zinc/20/42/04/1330204204.db2.gz KPXAZVQIRZUOFB-LBPRGKRZSA-N 2 0 329.847 2.414 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001491685739 1330205582 /nfs/dbraw/zinc/20/55/82/1330205582.db2.gz YTZZYAHKRQWXPQ-KSSFIOAISA-N 2 0 348.491 2.267 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491819347 1330262863 /nfs/dbraw/zinc/26/28/63/1330262863.db2.gz DUIUGSPZEKNARD-HOTGVXAUSA-N 2 0 341.459 2.365 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001492129640 1330982452 /nfs/dbraw/zinc/98/24/52/1330982452.db2.gz RVDCORSZTWDXRZ-CYBMUJFWSA-N 2 0 327.419 2.289 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCCCCOC ZINC001316732875 1331384137 /nfs/dbraw/zinc/38/41/37/1331384137.db2.gz BHGGSGNNSVMOOC-ZJPYXAASSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001316862591 1331695860 /nfs/dbraw/zinc/69/58/60/1331695860.db2.gz JJYDVFQMXCGJPT-HNNXBMFYSA-N 2 0 333.451 2.421 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001316703971 1331832811 /nfs/dbraw/zinc/83/28/11/1331832811.db2.gz MFRATPNHXHYBKA-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP COCc1cccc(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001316836398 1331924368 /nfs/dbraw/zinc/92/43/68/1331924368.db2.gz WWYFBZQKKZMDRG-LJQANCHMSA-N 2 0 347.503 2.255 10 0 EEAERP Cc1ccc(CC[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001316845832 1331930849 /nfs/dbraw/zinc/93/08/49/1331930849.db2.gz QTBIOXZMYMBRLJ-UHFFFAOYSA-N 2 0 331.504 2.317 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001317120319 1332086939 /nfs/dbraw/zinc/08/69/39/1332086939.db2.gz AUNLDSNXPLMJMH-XMTFNYHQSA-N 2 0 337.508 2.057 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001317161909 1332106344 /nfs/dbraw/zinc/10/63/44/1332106344.db2.gz FSYJBOFUDUQVKI-FETDAWAGSA-N 2 0 341.499 2.480 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001317163372 1332106720 /nfs/dbraw/zinc/10/67/20/1332106720.db2.gz TWWORJUOVMTDCW-INIZCTEOSA-N 2 0 325.472 2.050 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001317241891 1332149405 /nfs/dbraw/zinc/14/94/05/1332149405.db2.gz OGKLWAJAMPWJBH-YLJYHZDGSA-N 2 0 343.515 2.364 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317341071 1332186654 /nfs/dbraw/zinc/18/66/54/1332186654.db2.gz PKJMWWJTYSMAAZ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001317490801 1332263616 /nfs/dbraw/zinc/26/36/16/1332263616.db2.gz JDLCUGLNBBWCOX-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+](CCCCCF)C1)C12CCC[NH+]1CCC2 ZINC001317527843 1332284291 /nfs/dbraw/zinc/28/42/91/1332284291.db2.gz QZZDCXMJRZBGFC-INIZCTEOSA-N 2 0 325.472 2.193 10 0 EEAERP C[NH+](C)CCCCC(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001318168201 1332481806 /nfs/dbraw/zinc/48/18/06/1332481806.db2.gz AMRLGKCNXGSYFC-UHFFFAOYSA-N 2 0 343.515 2.455 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001318806543 1332602373 /nfs/dbraw/zinc/60/23/73/1332602373.db2.gz UUWFXEIFZANATR-INIZCTEOSA-N 2 0 325.472 2.193 10 0 EEAERP Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001319851530 1332784038 /nfs/dbraw/zinc/78/40/38/1332784038.db2.gz WGYDNPFHAQUOSA-DYVFJYSZSA-N 2 0 332.423 2.443 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001320447731 1332886200 /nfs/dbraw/zinc/88/62/00/1332886200.db2.gz SVVDMTPDARBFJH-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1 ZINC001320565274 1332911539 /nfs/dbraw/zinc/91/15/39/1332911539.db2.gz XYBJUAHBIWZFQF-GJZGRUSLSA-N 2 0 338.521 2.390 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1N(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001320830036 1332961223 /nfs/dbraw/zinc/96/12/23/1332961223.db2.gz LGBXAJUAACURHI-UHFFFAOYSA-N 2 0 346.519 2.033 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001320863368 1332967359 /nfs/dbraw/zinc/96/73/59/1332967359.db2.gz QQNZEDQRTVERNF-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C2CCC2)cc1F ZINC001321095475 1333017827 /nfs/dbraw/zinc/01/78/27/1333017827.db2.gz IWXUKANMMLRPIZ-ONEGZZNKSA-N 2 0 333.451 2.380 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCc1ccccc1 ZINC001321119261 1333023179 /nfs/dbraw/zinc/02/31/79/1333023179.db2.gz ABFLTAMQTJCHQM-GHOSXJJBSA-N 2 0 329.488 2.366 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)s1 ZINC001322505563 1333273382 /nfs/dbraw/zinc/27/33/82/1333273382.db2.gz MOABFVWRIBJZRA-MRXNPFEDSA-N 2 0 338.521 2.262 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001322851613 1333341129 /nfs/dbraw/zinc/34/11/29/1333341129.db2.gz BGAGCFOVGVDVQY-QGZVFWFLSA-N 2 0 336.480 2.050 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323874678 1333564491 /nfs/dbraw/zinc/56/44/91/1333564491.db2.gz WQZZKVPFYDXQJF-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](Cc2cccnc2)C1 ZINC001324679143 1333736888 /nfs/dbraw/zinc/73/68/88/1333736888.db2.gz AORBDWJYXXSNEL-FQEVSTJZSA-N 2 0 344.503 2.428 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001326747733 1334153701 /nfs/dbraw/zinc/15/37/01/1334153701.db2.gz GNGNSFZOLFTHJV-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001329307165 1334624169 /nfs/dbraw/zinc/62/41/69/1334624169.db2.gz IYCFLEQGDISSEY-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001330549512 1334868825 /nfs/dbraw/zinc/86/88/25/1334868825.db2.gz DUIFSFAQDPADLE-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001330822618 1334909751 /nfs/dbraw/zinc/90/97/51/1334909751.db2.gz VBSUVSACBBHLCB-SUMWQHHRSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001330822611 1334909806 /nfs/dbraw/zinc/90/98/06/1334909806.db2.gz VBSUVSACBBHLCB-CXAGYDPISA-N 2 0 348.491 2.008 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001331458136 1335017711 /nfs/dbraw/zinc/01/77/11/1335017711.db2.gz ZWJOPMLAZZUPTM-XYPHTWIQSA-N 2 0 336.455 2.388 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)NCCCNc2ccccn2)c1 ZINC001618539066 1352351065 /nfs/dbraw/zinc/35/10/65/1352351065.db2.gz JBFOJYNZSVEPRV-UHFFFAOYSA-N 2 0 326.444 2.418 10 0 EEAERP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001433975495 1341735240 /nfs/dbraw/zinc/73/52/40/1341735240.db2.gz XPKOZNSGMQYSBQ-LPHOPBHVSA-N 2 0 329.488 2.490 10 0 EEAERP Cc1cncn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C ZINC001436312744 1342020200 /nfs/dbraw/zinc/02/02/00/1342020200.db2.gz KXFIGCWYJPCDII-SFHVURJKSA-N 2 0 326.444 2.233 10 0 EEAERP Cc1ccc(CC[NH2+]CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001670249733 1356304440 /nfs/dbraw/zinc/30/44/40/1356304440.db2.gz OJOUTBBQUPSEDV-GOSISDBHSA-N 2 0 331.504 2.317 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500347565 1342175651 /nfs/dbraw/zinc/17/56/51/1342175651.db2.gz IKWGZDXCSRKCBK-MBOZVWFJSA-N 2 0 344.503 2.058 10 0 EEAERP CCC1([NH2+]Cc2cnoc2C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001502495973 1342198095 /nfs/dbraw/zinc/19/80/95/1342198095.db2.gz BCWKLKQPPFPUAF-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC[C@H]2CCCO2)CC1(C)C ZINC001506750625 1342314094 /nfs/dbraw/zinc/31/40/94/1342314094.db2.gz NNZPEBINFLKETF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001673343234 1356670453 /nfs/dbraw/zinc/67/04/53/1356670453.db2.gz VXPPYAVPWNEJIR-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001566928896 1342654218 /nfs/dbraw/zinc/65/42/18/1342654218.db2.gz OWRRWNDBXFGMEB-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)no1 ZINC001567259783 1342724953 /nfs/dbraw/zinc/72/49/53/1342724953.db2.gz ITSQXRLOSYKYJH-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567259801 1342725016 /nfs/dbraw/zinc/72/50/16/1342725016.db2.gz IZKSIAOBWPFOFY-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018236 1357089521 /nfs/dbraw/zinc/08/95/21/1357089521.db2.gz IUGOWVLBBJSMLH-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009526 1342998135 /nfs/dbraw/zinc/99/81/35/1342998135.db2.gz IOLPKAXRQSMGSX-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001676755570 1357193892 /nfs/dbraw/zinc/19/38/92/1357193892.db2.gz LUUBIMBOFJYCAM-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CCOC3CCC3)CC2)CC1 ZINC001677616882 1357374602 /nfs/dbraw/zinc/37/46/02/1357374602.db2.gz VFLIPALSOUTOQK-UHFFFAOYSA-N 2 0 349.519 2.036 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC001647003475 1353100181 /nfs/dbraw/zinc/10/01/81/1353100181.db2.gz BAXDYUAVIMGAQF-GBESFXJTSA-N 2 0 327.472 2.352 10 0 EEAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001660277585 1354429405 /nfs/dbraw/zinc/42/94/05/1354429405.db2.gz IBNJMBWBSHORFF-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001661421600 1354637314 /nfs/dbraw/zinc/63/73/14/1354637314.db2.gz DUIQBLFHNHUNBV-ZHALLVOQSA-N 2 0 345.487 2.175 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001662717743 1354830784 /nfs/dbraw/zinc/83/07/84/1354830784.db2.gz LWAKYLQNUGHCTF-BBRMVZONSA-N 2 0 346.302 2.229 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001663105266 1354915421 /nfs/dbraw/zinc/91/54/21/1354915421.db2.gz SFHCILRJROKYAN-DOTOQJQBSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001664186075 1355109687 /nfs/dbraw/zinc/10/96/87/1355109687.db2.gz JRQACOLGOUNPJK-INIZCTEOSA-N 2 0 347.503 2.072 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(Cl)ccc1OC)[NH+](C)C ZINC001664313368 1355136301 /nfs/dbraw/zinc/13/63/01/1355136301.db2.gz JCVRCBGOZPCJGW-OAHLLOKOSA-N 2 0 341.883 2.237 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1Cl)C(=O)Cn1ccnc1 ZINC001664408063 1355156819 /nfs/dbraw/zinc/15/68/19/1355156819.db2.gz IBJNIWGHSLVRAV-UHFFFAOYSA-N 2 0 341.242 2.438 10 0 EEAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001664467185 1355171447 /nfs/dbraw/zinc/17/14/47/1355171447.db2.gz GNRBYPIBVHMETB-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCCCOC)C2)CC[N@@H+]1C ZINC001665630562 1355338587 /nfs/dbraw/zinc/33/85/87/1355338587.db2.gz BTBZKBWJOOXABA-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001666808351 1355593521 /nfs/dbraw/zinc/59/35/21/1355593521.db2.gz FVOQVBBRFDXJQV-IAGOWNOFSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOc1ccccc1 ZINC001667494045 1355750332 /nfs/dbraw/zinc/75/03/32/1355750332.db2.gz RNYUZVGKQYZIKL-IBGZPJMESA-N 2 0 347.503 2.138 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCOC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001668153255 1355886866 /nfs/dbraw/zinc/88/68/66/1355886866.db2.gz SJXKHPGTRXWLJO-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001668235193 1355905940 /nfs/dbraw/zinc/90/59/40/1355905940.db2.gz ZWEGWKNPPJUZGW-RDJZCZTQSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668308888 1355920359 /nfs/dbraw/zinc/92/03/59/1355920359.db2.gz BTISGMRGNIRSQD-NEPJUHHUSA-N 2 0 329.897 2.338 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)C12CCC[NH+]1CCC2 ZINC001668911247 1356041809 /nfs/dbraw/zinc/04/18/09/1356041809.db2.gz GEYHUVQTYMULKM-OWOJBTEDSA-N 2 0 331.504 2.457 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001669715363 1356198806 /nfs/dbraw/zinc/19/88/06/1356198806.db2.gz GJCIAMMFIXMSMN-AWEZNQCLSA-N 2 0 335.879 2.073 10 0 EEAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670095838 1356275062 /nfs/dbraw/zinc/27/50/62/1356275062.db2.gz YHEWPSHOOUQEGY-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CN(CCC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001670095856 1356275096 /nfs/dbraw/zinc/27/50/96/1356275096.db2.gz YVZSLBNJEWAJRR-OAHLLOKOSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(C)s1 ZINC001670144538 1356284813 /nfs/dbraw/zinc/28/48/13/1356284813.db2.gz PWBAKFOCKTXXFX-INIZCTEOSA-N 2 0 338.521 2.182 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CC=C(C)C)CCC1(F)F)[NH+](C)C ZINC001671972406 1356447507 /nfs/dbraw/zinc/44/75/07/1356447507.db2.gz RBHVOYVVXJLWNE-GJZGRUSLSA-N 2 0 331.451 2.366 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001672818977 1356592399 /nfs/dbraw/zinc/59/23/99/1356592399.db2.gz AYXQFZBBCSTWFN-ZBFHGGJFSA-N 2 0 344.459 2.119 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001672818974 1356592461 /nfs/dbraw/zinc/59/24/61/1356592461.db2.gz AYXQFZBBCSTWFN-GOEBONIOSA-N 2 0 344.459 2.119 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001672839540 1356597383 /nfs/dbraw/zinc/59/73/83/1356597383.db2.gz OLHKCGVWEUABCF-OIZKETEYSA-N 2 0 334.291 2.228 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001672839541 1356597600 /nfs/dbraw/zinc/59/76/00/1356597600.db2.gz OLHKCGVWEUABCF-QGBLLJAOSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001674188035 1356803838 /nfs/dbraw/zinc/80/38/38/1356803838.db2.gz LQTVRYGQEXQTFR-YQVWRLOYSA-N 2 0 347.503 2.198 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001674451108 1356837279 /nfs/dbraw/zinc/83/72/79/1356837279.db2.gz YDNIOPIEZWOUFE-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001674800177 1356897951 /nfs/dbraw/zinc/89/79/51/1356897951.db2.gz BJTNCNNXEKOMJM-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001674809265 1356899469 /nfs/dbraw/zinc/89/94/69/1356899469.db2.gz ZUNVPDNPJIFKLP-AOCRQIFASA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2F)C1)[NH+](C)C ZINC001675793008 1357050111 /nfs/dbraw/zinc/05/01/11/1357050111.db2.gz VLFKTXDZZYSHGD-ZVZYQTTQSA-N 2 0 335.467 2.193 10 0 EEAERP CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001692103841 1404974341 /nfs/dbraw/zinc/97/43/41/1404974341.db2.gz BPEJEEUWFPDHFX-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCCc1cccc(F)c1 ZINC001698737244 1405036253 /nfs/dbraw/zinc/03/62/53/1405036253.db2.gz GYKDXKCVGYLNKB-YJBOKZPZSA-N 2 0 335.467 2.194 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)no1 ZINC001698904681 1405143934 /nfs/dbraw/zinc/14/39/34/1405143934.db2.gz KOCPYAUNDPKLSK-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001699766403 1405474837 /nfs/dbraw/zinc/47/48/37/1405474837.db2.gz QGXDYUGQRFJFAN-KRWDZBQOSA-N 2 0 348.491 2.330 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[N@@H+]1C ZINC000921355730 773303405 /nfs/dbraw/zinc/30/34/05/773303405.db2.gz SJHHJRBMXFGNBG-PSBWJHGTSA-N 2 0 344.503 2.431 10 0 EEAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837880 779151942 /nfs/dbraw/zinc/15/19/42/779151942.db2.gz ISIVHZSMRRMKNP-STQMWFEESA-N 2 0 327.270 2.384 10 0 EEAERP CC1CC[NH+](CCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000809970828 783544920 /nfs/dbraw/zinc/54/49/20/783544920.db2.gz NAFMXMDZGMQOQA-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000819174857 785447628 /nfs/dbraw/zinc/44/76/28/785447628.db2.gz RZRSBBRKCDCGEW-VAMGGRTRSA-N 2 0 332.488 2.304 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C12CCC2 ZINC000912603164 788262061 /nfs/dbraw/zinc/26/20/61/788262061.db2.gz YEDCMYNSEQMTGM-SJORKVTESA-N 2 0 349.519 2.011 10 0 EEAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912650644 788281948 /nfs/dbraw/zinc/28/19/48/788281948.db2.gz OTPOQULKNKTTGW-QAPCUYQASA-N 2 0 332.492 2.478 10 0 EEAERP C[N@@H+]1CCN(CCC[NH2+]Cc2cc[nH]c(=O)c2)[C@@H](c2ccccc2)C1 ZINC000921525476 788845452 /nfs/dbraw/zinc/84/54/52/788845452.db2.gz SHQDNMMBWGAKHO-LJQANCHMSA-N 2 0 340.471 2.256 10 0 EEAERP O=C1N[C@@H]2C[N@H+](C[C@H]3CC4CCC3CC4)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923376852 789458875 /nfs/dbraw/zinc/45/88/75/789458875.db2.gz BUIYBQFFKAAVNZ-VCIBQBEUSA-N 2 0 346.519 2.033 10 0 EEAERP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451742 789583735 /nfs/dbraw/zinc/58/37/35/789583735.db2.gz CLMFYDNCHVZOFO-HOCLYGCPSA-N 2 0 349.450 2.291 10 0 EEAERP CC[C@@H](c1ccc(Br)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462521 789599484 /nfs/dbraw/zinc/59/94/84/789599484.db2.gz JPZSNNOFIJOCRQ-HNNXBMFYSA-N 2 0 326.282 2.395 10 0 EEAERP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496775 789669898 /nfs/dbraw/zinc/66/98/98/789669898.db2.gz DIZPXSPYJONYJG-OWCLPIDISA-N 2 0 342.487 2.132 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923509281 789695148 /nfs/dbraw/zinc/69/51/48/789695148.db2.gz PBXBULNQCUBYPC-RYUDHWBXSA-N 2 0 345.365 2.440 10 0 EEAERP [NH3+]C1CC(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000714995863 795184992 /nfs/dbraw/zinc/18/49/92/795184992.db2.gz OXEUMUONMLUGFP-LWSMDNFKSA-N 2 0 327.472 2.237 10 0 EEAERP COc1ccccc1C(C)(C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898709 796059854 /nfs/dbraw/zinc/05/98/54/796059854.db2.gz OACBAZKLLQAFMT-HNNXBMFYSA-N 2 0 330.476 2.379 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H](C)CCCc2cccnc2)cnn1C ZINC000903929224 796153246 /nfs/dbraw/zinc/15/32/46/796153246.db2.gz CIZHCJJOXIVUOT-CRAIPNDOSA-N 2 0 329.492 2.242 10 0 EEAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000922158411 799215790 /nfs/dbraw/zinc/21/57/90/799215790.db2.gz IYKXWVWZORGGDW-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP C[NH+](C)[C@@H]1CCOc2c(NC(=S)NC3CC[NH+](C)CC3)cccc21 ZINC000788347415 807484271 /nfs/dbraw/zinc/48/42/71/807484271.db2.gz YFSUKNRYTGDBPJ-MRXNPFEDSA-N 2 0 348.516 2.452 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565942670 1125469105 /nfs/dbraw/zinc/46/91/05/1125469105.db2.gz CXCATYMSUDPVKA-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001566516581 1125689162 /nfs/dbraw/zinc/68/91/62/1125689162.db2.gz QDZBOCNYSOOUFV-WBVHZDCISA-N 2 0 333.476 2.146 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C[C@H]1CCCCO1 ZINC001566562850 1125737137 /nfs/dbraw/zinc/73/71/37/1125737137.db2.gz LGWPRVANVQKXMJ-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C[C@H]1CCCCO1)C1CC1 ZINC001566590450 1125779731 /nfs/dbraw/zinc/77/97/31/1125779731.db2.gz OULCFSNSKOSGOQ-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(OC)c2C)[C@@H]1C ZINC001436484101 1087977009 /nfs/dbraw/zinc/97/70/09/1087977009.db2.gz LVPCXODZDSXNFO-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](C)OC)CC(C)(C)C1 ZINC001436502046 1088029940 /nfs/dbraw/zinc/02/99/40/1088029940.db2.gz VVQXEKOKQBJDJV-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP O=C(NC[C@H]([NH2+]CC1CCCCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001436790956 1088351919 /nfs/dbraw/zinc/35/19/19/1088351919.db2.gz RUULOXYMJILBHF-OALUTQOASA-N 2 0 333.520 2.393 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001436899180 1088552297 /nfs/dbraw/zinc/55/22/97/1088552297.db2.gz HESDMAPKLIYGBM-JOCQHMNTSA-N 2 0 346.302 2.418 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001437025865 1088819792 /nfs/dbraw/zinc/81/97/92/1088819792.db2.gz YBEOEZQMYTYYKH-GOSISDBHSA-N 2 0 346.519 2.368 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001437030902 1088852160 /nfs/dbraw/zinc/85/21/60/1088852160.db2.gz BHCCJNOCZHKUKD-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001437061243 1088968149 /nfs/dbraw/zinc/96/81/49/1088968149.db2.gz DEQUHVTXZXDRDV-GDBMZVCRSA-N 2 0 348.491 2.184 10 0 EEAERP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cc(C)ns2)CC1)[NH+](C)C ZINC001437092105 1089045046 /nfs/dbraw/zinc/04/50/46/1089045046.db2.gz XICQPOTUPNXKJP-XUJLQICISA-N 2 0 338.521 2.309 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437156559 1089159184 /nfs/dbraw/zinc/15/91/84/1089159184.db2.gz OCQZTYZMDVWTNL-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001437256878 1089389690 /nfs/dbraw/zinc/38/96/90/1089389690.db2.gz AVICJQQSVJPKMQ-RAQZUPNJSA-N 2 0 335.879 2.399 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001437264891 1089410956 /nfs/dbraw/zinc/41/09/56/1089410956.db2.gz XLNRVDBXKSFFAE-WBVHZDCISA-N 2 0 333.476 2.020 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001437307229 1089462408 /nfs/dbraw/zinc/46/24/08/1089462408.db2.gz FNPLJEWOTWLVSZ-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001437327193 1089497482 /nfs/dbraw/zinc/49/74/82/1089497482.db2.gz LBPWJJNNWWQTPS-QZTJIDSGSA-N 2 0 349.523 2.241 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)sn1 ZINC001437330281 1089507979 /nfs/dbraw/zinc/50/79/79/1089507979.db2.gz OOUVQEZZZREXRO-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437383738 1089633660 /nfs/dbraw/zinc/63/36/60/1089633660.db2.gz MSVFXBJYGZKKSL-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001437399073 1089659714 /nfs/dbraw/zinc/65/97/14/1089659714.db2.gz BNJJFRDWOPVXRD-CYBMUJFWSA-N 2 0 326.510 2.105 10 0 EEAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001437613366 1090120533 /nfs/dbraw/zinc/12/05/33/1090120533.db2.gz BHLYDFZBRJBPNA-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC001437743681 1090307867 /nfs/dbraw/zinc/30/78/67/1090307867.db2.gz XHNMILWHCSYXBW-JNLAIUADSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437952397 1090549973 /nfs/dbraw/zinc/54/99/73/1090549973.db2.gz ZRJPMFWZMAWIBK-KRWDZBQOSA-N 2 0 349.523 2.052 10 0 EEAERP CC(C)n1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)n1 ZINC001437993584 1090592412 /nfs/dbraw/zinc/59/24/12/1090592412.db2.gz SSZBQYKWLPLULC-KRWDZBQOSA-N 2 0 349.523 2.085 10 0 EEAERP COc1cccc([C@H](C)[NH+]2CC(CNC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001438128533 1090653570 /nfs/dbraw/zinc/65/35/70/1090653570.db2.gz MDMSVAWIIKWEAZ-HNNXBMFYSA-N 2 0 345.487 2.289 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cncc(C)c1 ZINC001438320363 1090795979 /nfs/dbraw/zinc/79/59/79/1090795979.db2.gz FVLHSWGIRNNBMD-KRWDZBQOSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001438428486 1090925763 /nfs/dbraw/zinc/92/57/63/1090925763.db2.gz KFTAZJKJNWCOHE-SFHVURJKSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]Cc1cncs1)NC(=O)CC[NH+](C)C ZINC001438433993 1090935513 /nfs/dbraw/zinc/93/55/13/1090935513.db2.gz WKTGCMOWIXLPBS-YOEHRIQHSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438502246 1090996488 /nfs/dbraw/zinc/99/64/88/1090996488.db2.gz IUYQTNCXTRGELX-DOTOQJQBSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001438549771 1091041969 /nfs/dbraw/zinc/04/19/69/1091041969.db2.gz JUQCZLPIKCZVJT-APWZRJJASA-N 2 0 346.519 2.352 10 0 EEAERP Cc1nc(CNC2(CNC(=O)C[N@@H+](C)C(C)C)CCCC2)oc1C ZINC001438612584 1091101541 /nfs/dbraw/zinc/10/15/41/1091101541.db2.gz QDMRNFQLNUKFQW-UHFFFAOYSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001445417252 1091169096 /nfs/dbraw/zinc/16/90/96/1091169096.db2.gz LMPPUKKPTLQASA-GFCCVEGCSA-N 2 0 338.521 2.229 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccnc2C)C1 ZINC001445431890 1091189160 /nfs/dbraw/zinc/18/91/60/1091189160.db2.gz YHEWFKHFTWYRQT-CRAIPNDOSA-N 2 0 332.492 2.106 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cnccc2C)C1 ZINC001438689444 1091191319 /nfs/dbraw/zinc/19/13/19/1091191319.db2.gz ZIYKSJAHDPJFID-QZTJIDSGSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1sc(C)nc1C ZINC001445558582 1091332682 /nfs/dbraw/zinc/33/26/82/1091332682.db2.gz GWXWCLYPBPSHHZ-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cncs2)C1 ZINC001438775269 1091363041 /nfs/dbraw/zinc/36/30/41/1091363041.db2.gz UYBUZNLBBNHRLL-CABCVRRESA-N 2 0 338.521 2.200 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438777929 1091372519 /nfs/dbraw/zinc/37/25/19/1091372519.db2.gz YTMRIWFEBPFDTE-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccns2)C(C)C)CC[N@@H+]1C ZINC001438818347 1091435991 /nfs/dbraw/zinc/43/59/91/1091435991.db2.gz YEGBPGCEAHNULB-HRCADAONSA-N 2 0 338.521 2.104 10 0 EEAERP CCCOc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001445650911 1091439778 /nfs/dbraw/zinc/43/97/78/1091439778.db2.gz XSXNRXPQSHDWAN-DOTOQJQBSA-N 2 0 333.476 2.021 10 0 EEAERP CCc1cccc(C[N@H+](C)CCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001438931362 1091612773 /nfs/dbraw/zinc/61/27/73/1091612773.db2.gz GKIYDZQCWMKCMO-IBGZPJMESA-N 2 0 331.504 2.481 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)C[NH+]1CCCC1 ZINC001439179184 1091827018 /nfs/dbraw/zinc/82/70/18/1091827018.db2.gz JJRBIRQTCNBXTJ-CYBMUJFWSA-N 2 0 343.393 2.396 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001439257051 1091907373 /nfs/dbraw/zinc/90/73/73/1091907373.db2.gz XSECNXVDTIMKNN-HNAYVOBHSA-N 2 0 335.467 2.493 10 0 EEAERP CC(C)(C(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1)[NH+]1CCCC1 ZINC001445963550 1091915304 /nfs/dbraw/zinc/91/53/04/1091915304.db2.gz VDTFEMADGYVMJU-KRWDZBQOSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445988226 1091956689 /nfs/dbraw/zinc/95/66/89/1091956689.db2.gz GWRNVGBMGIBSMM-DNVCBOLYSA-N 2 0 347.478 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001439395929 1092147505 /nfs/dbraw/zinc/14/75/05/1092147505.db2.gz KACDJCPGBYWGMM-OAHLLOKOSA-N 2 0 330.476 2.446 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ccccn1 ZINC001439515886 1092360085 /nfs/dbraw/zinc/36/00/85/1092360085.db2.gz PMGULHKVWGJGLS-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccc2Cl)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001439605942 1092511814 /nfs/dbraw/zinc/51/18/14/1092511814.db2.gz VUHGLQLVCHZYLA-INIZCTEOSA-N 2 0 347.890 2.420 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1conc1C)[NH+](CC)CC ZINC001439786282 1092745038 /nfs/dbraw/zinc/74/50/38/1092745038.db2.gz YQVHLABCCPITOB-IRXDYDNUSA-N 2 0 336.480 2.184 10 0 EEAERP Cn1cncc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001440315384 1093449158 /nfs/dbraw/zinc/44/91/58/1093449158.db2.gz BXOOXNHRLADSEN-DZVNLGKHSA-N 2 0 344.503 2.273 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cc(C)no3)C[C@H]2C1 ZINC001448468571 1093479886 /nfs/dbraw/zinc/47/98/86/1093479886.db2.gz ITJKKCYVSVMZQZ-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP CO[C@@H](C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1)c1ccccc1 ZINC001440350698 1093502521 /nfs/dbraw/zinc/50/25/21/1093502521.db2.gz FWMGVGFSVLJSMQ-SFHVURJKSA-N 2 0 345.487 2.098 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)n1 ZINC001440356254 1093513330 /nfs/dbraw/zinc/51/33/30/1093513330.db2.gz OEILQJIEJCYIHG-FNHZYXHNSA-N 2 0 344.503 2.025 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001448578655 1093629372 /nfs/dbraw/zinc/62/93/72/1093629372.db2.gz AHIQJJIWFXMGAP-DLBZAZTESA-N 2 0 348.491 2.182 10 0 EEAERP CCn1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001448724967 1093796534 /nfs/dbraw/zinc/79/65/34/1093796534.db2.gz GTRNENGNJAGBQY-SJORKVTESA-N 2 0 349.523 2.104 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001440537256 1093801298 /nfs/dbraw/zinc/80/12/98/1093801298.db2.gz KBXHTOVYEILJSX-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP CC[N@H+](CC[C@@H](C)F)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001440707561 1093955985 /nfs/dbraw/zinc/95/59/85/1093955985.db2.gz SPWQBHVGORQAHG-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001440762663 1094003742 /nfs/dbraw/zinc/00/37/42/1094003742.db2.gz ZSZPWZXUMCZKHA-ZALBZXLWSA-N 2 0 331.451 2.102 10 0 EEAERP C[C@@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)CCC(C)(C)C)n1ccnc1 ZINC001449224666 1094177838 /nfs/dbraw/zinc/17/78/38/1094177838.db2.gz FXYYNXPEWNKXPO-JKSUJKDBSA-N 2 0 338.496 2.022 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]Cc2ccns2)C(C)(C)C)C1 ZINC001449320322 1094274137 /nfs/dbraw/zinc/27/41/37/1094274137.db2.gz BPXDSSUJNJFQDO-ZFWWWQNUSA-N 2 0 338.521 2.105 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001449401457 1094381716 /nfs/dbraw/zinc/38/17/16/1094381716.db2.gz LIXGGCUQEFFAHM-OFLPRAFFSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCC(F)(F)F)C1 ZINC001441170682 1094522721 /nfs/dbraw/zinc/52/27/21/1094522721.db2.gz VJVHNKCDMXSOGD-LBPRGKRZSA-N 2 0 335.414 2.250 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(OC)cc2)CC1(C)C ZINC001441268307 1094678570 /nfs/dbraw/zinc/67/85/70/1094678570.db2.gz YVZQRRNFODALPI-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001441289777 1094721413 /nfs/dbraw/zinc/72/14/13/1094721413.db2.gz YYCAXZKQVXKMES-NNZMDNLPSA-N 2 0 335.536 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2C1 ZINC001441331914 1094796975 /nfs/dbraw/zinc/79/69/75/1094796975.db2.gz BMYLVKAXUMESKR-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001441348624 1094860061 /nfs/dbraw/zinc/86/00/61/1094860061.db2.gz BEHQYHYYOYIWIC-QBPKDAKJSA-N 2 0 348.491 2.403 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c(F)cccc3F)C2)CCC1 ZINC001441383897 1094929218 /nfs/dbraw/zinc/92/92/18/1094929218.db2.gz JRJYJVUNHWWVCY-JOCQHMNTSA-N 2 0 337.414 2.186 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)s1 ZINC001441387273 1094938724 /nfs/dbraw/zinc/93/87/24/1094938724.db2.gz VPHFTXRTEJYCIR-RBSFLKMASA-N 2 0 336.505 2.063 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC001441441052 1095062295 /nfs/dbraw/zinc/06/22/95/1095062295.db2.gz OOGYXXVRQNCHDB-HAQNSBGRSA-N 2 0 329.897 2.479 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441603923 1095455133 /nfs/dbraw/zinc/45/51/33/1095455133.db2.gz SAXKJYWQDJREGD-CVEARBPZSA-N 2 0 342.487 2.446 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001441936800 1096128757 /nfs/dbraw/zinc/12/87/57/1096128757.db2.gz PYRGYBONTDJASB-CQSZACIVSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001441945564 1096144953 /nfs/dbraw/zinc/14/49/53/1096144953.db2.gz VFPYDHJSFPUBQZ-IYXRBSQSSA-N 2 0 337.430 2.401 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001442011225 1096215186 /nfs/dbraw/zinc/21/51/86/1096215186.db2.gz SFPOLKRCAQSCDS-MLGOLLRUSA-N 2 0 339.430 2.388 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001442017021 1096224114 /nfs/dbraw/zinc/22/41/14/1096224114.db2.gz VESZVISBUMFLBG-BLLLJJGKSA-N 2 0 339.430 2.388 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnoc2C)C1)[NH+](CC)CC ZINC001442157021 1096412291 /nfs/dbraw/zinc/41/22/91/1096412291.db2.gz QYPUHUQLQMTLNX-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](CC[C@H](C)F)CC2)CC1 ZINC001442264797 1096568642 /nfs/dbraw/zinc/56/86/42/1096568642.db2.gz BUENCOMKMHIEKQ-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001442296427 1096611946 /nfs/dbraw/zinc/61/19/46/1096611946.db2.gz QKDNZQSIZYPWNU-CYBMUJFWSA-N 2 0 340.537 2.414 10 0 EEAERP Cc1cc(C[N@H+](C)CCNC(=O)C23CCC[NH+](CCC2)C3)cs1 ZINC001442430115 1096755267 /nfs/dbraw/zinc/75/52/67/1096755267.db2.gz HHSQXRSZTRZVGA-UHFFFAOYSA-N 2 0 335.517 2.481 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001442905619 1097310225 /nfs/dbraw/zinc/31/02/25/1097310225.db2.gz JUOKHIJZDDPDKM-CQSZACIVSA-N 2 0 339.430 2.243 10 0 EEAERP O=C(NCCN(Cc1ccccn1)C1CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001443016034 1097428228 /nfs/dbraw/zinc/42/82/28/1097428228.db2.gz KIEPGVYNWSFTIN-OALUTQOASA-N 2 0 342.487 2.179 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2ocnc2C)CC1 ZINC001443145573 1097575814 /nfs/dbraw/zinc/57/58/14/1097575814.db2.gz OPRVDWVMNWKGKE-CQSZACIVSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](F)CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001443336541 1097850540 /nfs/dbraw/zinc/85/05/40/1097850540.db2.gz RXHKEJRLWDJGBB-HNNXBMFYSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001443346859 1097869149 /nfs/dbraw/zinc/86/91/49/1097869149.db2.gz XMNMASODOZVSMB-HXUWFJFHSA-N 2 0 343.515 2.414 10 0 EEAERP CC(C)(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001443671307 1098173187 /nfs/dbraw/zinc/17/31/87/1098173187.db2.gz JYTARYHBFYXAAF-OKZBNKHCSA-N 2 0 333.520 2.440 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1F ZINC001444030223 1098549339 /nfs/dbraw/zinc/54/93/39/1098549339.db2.gz HODBJLHNEKGGBD-DOTOQJQBSA-N 2 0 335.467 2.194 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC001479494991 1098564467 /nfs/dbraw/zinc/56/44/67/1098564467.db2.gz LHIFJQLPMCGRBG-GOEBONIOSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCC2)C1 ZINC001444076877 1098603285 /nfs/dbraw/zinc/60/32/85/1098603285.db2.gz JEEIPBDPMWIUQU-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001479581385 1098618672 /nfs/dbraw/zinc/61/86/72/1098618672.db2.gz VOHKWLIWNUAQMX-KGLIPLIRSA-N 2 0 347.425 2.251 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CCCOC ZINC001479642563 1098671967 /nfs/dbraw/zinc/67/19/67/1098671967.db2.gz HKAIHBLAVALPSN-OKZBNKHCSA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001444240341 1098802087 /nfs/dbraw/zinc/80/20/87/1098802087.db2.gz DANAAHCIMNAFBY-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@H+](CCCF)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001479772532 1098944783 /nfs/dbraw/zinc/94/47/83/1098944783.db2.gz REEUGGBGRKNZFU-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001479805300 1099046838 /nfs/dbraw/zinc/04/68/38/1099046838.db2.gz BNXLMSMLKIVHKR-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CCCC2)cn1 ZINC001444537370 1099312183 /nfs/dbraw/zinc/31/21/83/1099312183.db2.gz QEYCAUOXPDEOKL-MRXNPFEDSA-N 2 0 347.507 2.205 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001444593979 1099418133 /nfs/dbraw/zinc/41/81/33/1099418133.db2.gz FZUKGEHEVCFVLD-VQIMIIECSA-N 2 0 329.488 2.273 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001444593961 1099418844 /nfs/dbraw/zinc/41/88/44/1099418844.db2.gz FZUKGEHEVCFVLD-LPHOPBHVSA-N 2 0 329.488 2.273 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001444695515 1099548632 /nfs/dbraw/zinc/54/86/32/1099548632.db2.gz YFYVZGKUUZTVIX-GDBMZVCRSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480173610 1099753046 /nfs/dbraw/zinc/75/30/46/1099753046.db2.gz LFMZXKHZILAKIC-FHWLQOOXSA-N 2 0 344.503 2.247 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001480232837 1099859714 /nfs/dbraw/zinc/85/97/14/1099859714.db2.gz RDYRSYWXZJFBHA-AHRSYUTCSA-N 2 0 343.515 2.370 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@@H]1CCCCO1 ZINC001445082647 1100296228 /nfs/dbraw/zinc/29/62/28/1100296228.db2.gz FVEKDRMWXPTRRX-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1Cl ZINC001480592296 1100441771 /nfs/dbraw/zinc/44/17/71/1100441771.db2.gz ZIWAYESBAFCMNM-LBPRGKRZSA-N 2 0 327.831 2.169 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1oc(C(C)C)nc1C ZINC001495107009 1100756166 /nfs/dbraw/zinc/75/61/66/1100756166.db2.gz GUAJRGAPXWXRGL-OAHLLOKOSA-N 2 0 336.480 2.187 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001446437916 1100857421 /nfs/dbraw/zinc/85/74/21/1100857421.db2.gz DANAAHCIMNAFBY-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)CCC[NH+]3CCCC3)CCCC2)o1 ZINC001495209770 1100892451 /nfs/dbraw/zinc/89/24/51/1100892451.db2.gz CBEFACKTIJAQJQ-UHFFFAOYSA-N 2 0 348.491 2.378 10 0 EEAERP CN1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229656 1100919343 /nfs/dbraw/zinc/91/93/43/1100919343.db2.gz JOCKJAXYIVLORU-ICSRJNTNSA-N 2 0 349.519 2.082 10 0 EEAERP C[C@@](C[NH2+]CC1CCCC1)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495248179 1100943631 /nfs/dbraw/zinc/94/36/31/1100943631.db2.gz HMJOZRZGXJOZIH-ICSRJNTNSA-N 2 0 333.520 2.393 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001496391070 1100984081 /nfs/dbraw/zinc/98/40/81/1100984081.db2.gz OVPOOTUUCWUHPA-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC(CC[NH2+]CCF)CC1 ZINC001495421627 1101140552 /nfs/dbraw/zinc/14/05/52/1101140552.db2.gz NQGHTGJRMYXIOS-UHFFFAOYSA-N 2 0 345.422 2.069 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001495560985 1101272527 /nfs/dbraw/zinc/27/25/27/1101272527.db2.gz VEBFWDCIPYHEAT-OLZOCXBDSA-N 2 0 341.393 2.199 10 0 EEAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]Cc1cncs1 ZINC001495760998 1101548743 /nfs/dbraw/zinc/54/87/43/1101548743.db2.gz DGHZPLHSMIJCKM-CQSZACIVSA-N 2 0 346.500 2.360 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001495813479 1101632108 /nfs/dbraw/zinc/63/21/08/1101632108.db2.gz MJIOEXPNLUILRS-CQSZACIVSA-N 2 0 338.496 2.154 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)CC[NH+](C)C)CC[C@H]32)cc1 ZINC001496863807 1101633002 /nfs/dbraw/zinc/63/30/02/1101633002.db2.gz QLCVEILPOXIQBR-RBUKOAKNSA-N 2 0 329.488 2.370 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001496906073 1101698975 /nfs/dbraw/zinc/69/89/75/1101698975.db2.gz ZUWOFAAPROZDMD-ZWKOTPCHSA-N 2 0 342.487 2.494 10 0 EEAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001495924799 1101771575 /nfs/dbraw/zinc/77/15/75/1101771575.db2.gz VWVKNSQYFVNJMV-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496081405 1102026695 /nfs/dbraw/zinc/02/66/95/1102026695.db2.gz VHLMFIJJPLTWIF-CRAIPNDOSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497272442 1102232304 /nfs/dbraw/zinc/23/23/04/1102232304.db2.gz QZUYABZDWMKUCB-GOEBONIOSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497275132 1102236620 /nfs/dbraw/zinc/23/66/20/1102236620.db2.gz GNMURNPKVKEIQM-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001497303147 1102284757 /nfs/dbraw/zinc/28/47/57/1102284757.db2.gz FRWDQNKOZNEVCM-DOTOQJQBSA-N 2 0 333.476 2.021 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001497305192 1102288074 /nfs/dbraw/zinc/28/80/74/1102288074.db2.gz VPALRVMYKLLLLG-DOTOQJQBSA-N 2 0 333.476 2.021 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001497329501 1102332406 /nfs/dbraw/zinc/33/24/06/1102332406.db2.gz BSPQLPWMHCLERT-AWEZNQCLSA-N 2 0 338.496 2.297 10 0 EEAERP Cc1ccc(OCC[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001447298404 1102396927 /nfs/dbraw/zinc/39/69/27/1102396927.db2.gz MEHJUDYUARXXJO-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001447338795 1102474940 /nfs/dbraw/zinc/47/49/40/1102474940.db2.gz CXPRWFAVHQTLIP-MOPGFXCFSA-N 2 0 344.503 2.379 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)s1 ZINC001497696967 1102923215 /nfs/dbraw/zinc/92/32/15/1102923215.db2.gz IPNSFOQXYJRMTM-HTGBSUJWSA-N 2 0 348.516 2.230 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497818279 1103147386 /nfs/dbraw/zinc/14/73/86/1103147386.db2.gz RVPPUICKAVPPJH-YRGRVCCFSA-N 2 0 341.858 2.414 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001494044900 1103417340 /nfs/dbraw/zinc/41/73/40/1103417340.db2.gz ZUCBUDFFSMSUJW-UAGQMJEPSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCC(F)(F)F ZINC001447870400 1103481869 /nfs/dbraw/zinc/48/18/69/1103481869.db2.gz AFFHWOAKTQIEND-STQMWFEESA-N 2 0 335.414 2.298 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494171159 1103638539 /nfs/dbraw/zinc/63/85/39/1103638539.db2.gz HEVRMMDVOPTHGE-WOJBJXKFSA-N 2 0 343.515 2.351 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCOCC1 ZINC001448104959 1104011864 /nfs/dbraw/zinc/01/18/64/1104011864.db2.gz SEXJZXZQVZOGMI-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCCC2)O1 ZINC001448236816 1104226620 /nfs/dbraw/zinc/22/66/20/1104226620.db2.gz PWMFZKNQJADDIO-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001494727150 1104309543 /nfs/dbraw/zinc/30/95/43/1104309543.db2.gz COHZSYBLEMROAE-ZWKOTPCHSA-N 2 0 339.524 2.255 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001494919207 1104558519 /nfs/dbraw/zinc/55/85/19/1104558519.db2.gz OZXYPVKPBBLTHA-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001495060112 1104697447 /nfs/dbraw/zinc/69/74/47/1104697447.db2.gz XOWZGEGFNGNEMO-HZPDHXFCSA-N 2 0 341.540 2.264 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccnc1 ZINC001495068779 1104707971 /nfs/dbraw/zinc/70/79/71/1104707971.db2.gz KEVVQSYIZWQULQ-QZTJIDSGSA-N 2 0 332.492 2.329 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cnc(C)cn1 ZINC001495069496 1104708750 /nfs/dbraw/zinc/70/87/50/1104708750.db2.gz YOPDUVOWHSKUHR-SJLPKXTDSA-N 2 0 347.507 2.032 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001480661407 1106837076 /nfs/dbraw/zinc/83/70/76/1106837076.db2.gz NNBZYLOGWPEVPP-SFHVURJKSA-N 2 0 329.488 2.009 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480669277 1106851706 /nfs/dbraw/zinc/85/17/06/1106851706.db2.gz DNWMLZRMIRMZMG-GOSISDBHSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001498056065 1106852228 /nfs/dbraw/zinc/85/22/28/1106852228.db2.gz LJTWEMNGQSNILL-GUYCJALGSA-N 2 0 341.446 2.188 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480674611 1106861323 /nfs/dbraw/zinc/86/13/23/1106861323.db2.gz TWBVOXRREYWJDQ-MOPGFXCFSA-N 2 0 329.488 2.009 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCOC(C)C)C1 ZINC001480727363 1106983345 /nfs/dbraw/zinc/98/33/45/1106983345.db2.gz UZCUCICNMRYZOO-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001480803333 1107145796 /nfs/dbraw/zinc/14/57/96/1107145796.db2.gz MNCXCPIJOWGKLR-CYBMUJFWSA-N 2 0 335.517 2.445 10 0 EEAERP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323452 1107292293 /nfs/dbraw/zinc/29/22/93/1107292293.db2.gz CISGDBGUKFXEFP-CABCVRRESA-N 2 0 327.513 2.111 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001493141413 1107583974 /nfs/dbraw/zinc/58/39/74/1107583974.db2.gz JGFSNMCZVLHCCW-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCCF)[NH+]1CCCC1 ZINC001498493922 1107631250 /nfs/dbraw/zinc/63/12/50/1107631250.db2.gz YTMRTAOVYZTAGQ-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCN(Cc2cncc(F)c2)C2CC2)CC[N@@H+]1C ZINC001493371890 1108011016 /nfs/dbraw/zinc/01/10/16/1108011016.db2.gz CBFYDICYLNRGQU-ZWKOTPCHSA-N 2 0 348.466 2.032 10 0 EEAERP CCc1nocc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001493575264 1108344176 /nfs/dbraw/zinc/34/41/76/1108344176.db2.gz WSEBXWGZWNXAOG-GOSISDBHSA-N 2 0 348.491 2.192 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCc1cccs1)[NH+]1CCCC1 ZINC001493806816 1108687762 /nfs/dbraw/zinc/68/77/62/1108687762.db2.gz PHPKMYDUULOLGZ-KRWDZBQOSA-N 2 0 337.533 2.459 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106690 1112619800 /nfs/dbraw/zinc/61/98/00/1112619800.db2.gz JPTLJDLIYKVLER-RYQLBKOJSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)n1 ZINC001501135415 1113210847 /nfs/dbraw/zinc/21/08/47/1113210847.db2.gz GOULJULPJXDLLX-IRXDYDNUSA-N 2 0 346.519 2.341 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001501152607 1113216978 /nfs/dbraw/zinc/21/69/78/1113216978.db2.gz AJOZNCYLAWGVDF-DZGCQCFKSA-N 2 0 331.451 2.056 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001501219200 1113248428 /nfs/dbraw/zinc/24/84/28/1113248428.db2.gz CSHXUWZVWMDFET-KPPNVPOGSA-N 2 0 331.504 2.075 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001501640627 1113411429 /nfs/dbraw/zinc/41/14/29/1113411429.db2.gz GQNFBCYXTVGYOK-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)[NH+](CC)CC ZINC001502797714 1113802961 /nfs/dbraw/zinc/80/29/61/1113802961.db2.gz QRJCRUCBRBNTIZ-MRXNPFEDSA-N 2 0 349.523 2.011 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001502811420 1113808648 /nfs/dbraw/zinc/80/86/48/1113808648.db2.gz UACZDZZGAQRPGB-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCOCC1 ZINC001505937453 1114289696 /nfs/dbraw/zinc/28/96/96/1114289696.db2.gz DYOFYPVLQDMQIL-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506001660 1114333390 /nfs/dbraw/zinc/33/33/90/1114333390.db2.gz FWHDXCNJUYIBFC-IAGOWNOFSA-N 2 0 343.515 2.454 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001506483873 1114641626 /nfs/dbraw/zinc/64/16/26/1114641626.db2.gz AVOXQDWOTCRQIA-OALUTQOASA-N 2 0 346.519 2.304 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001506494252 1114648448 /nfs/dbraw/zinc/64/84/48/1114648448.db2.gz NKACJMORFPVWOL-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CC1(C)C[N@H+](CCCF)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001506751710 1114864981 /nfs/dbraw/zinc/86/49/81/1114864981.db2.gz DLLHIQOAEBTNDT-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccccc3F)C[C@H]21)C1CCC1 ZINC001506793723 1114884261 /nfs/dbraw/zinc/88/42/61/1114884261.db2.gz NUKIKHKDDYAADT-NNZMDNLPSA-N 2 0 345.462 2.104 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506913943 1114968799 /nfs/dbraw/zinc/96/87/99/1114968799.db2.gz KFHCPKVDJOXPEM-SUMWQHHRSA-N 2 0 334.464 2.021 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2ccc3ncccc3c2)CCN1C(=O)CC[NH+](C)C ZINC001507290652 1115176254 /nfs/dbraw/zinc/17/62/54/1115176254.db2.gz OXEISZQGIDYVFD-QAPCUYQASA-N 2 0 340.471 2.266 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)CN1C(=O)CCCC[NH+](C)C ZINC001507329064 1115195533 /nfs/dbraw/zinc/19/55/33/1115195533.db2.gz TVKVNHDHYMETEB-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC001507451691 1115277219 /nfs/dbraw/zinc/27/72/19/1115277219.db2.gz XLKHAWWGVXLGFB-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2c(F)cccc2F)C1 ZINC001508135501 1115425368 /nfs/dbraw/zinc/42/53/68/1115425368.db2.gz PWKRWIFKFBJJPF-UHFFFAOYSA-N 2 0 339.430 2.386 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](CCc2ccccc2F)CC1)[NH+](C)C ZINC001508209277 1115445383 /nfs/dbraw/zinc/44/53/83/1115445383.db2.gz SRGZZVBESYYQDM-LJQANCHMSA-N 2 0 347.478 2.457 10 0 EEAERP C[C@H](Cn1c(C2CCC2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)C ZINC001541848306 1124109023 /nfs/dbraw/zinc/10/90/23/1124109023.db2.gz HNOGPZRTMKSSGB-HLLBOEOZSA-N 2 0 346.523 2.169 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCc2cccs2)CCCC1 ZINC001567995128 1124221498 /nfs/dbraw/zinc/22/14/98/1124221498.db2.gz FSLNCRQCHIGJOD-MRXNPFEDSA-N 2 0 335.517 2.403 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001568065518 1124270654 /nfs/dbraw/zinc/27/06/54/1124270654.db2.gz AXLWNBVCIGPKTD-AWEZNQCLSA-N 2 0 337.430 2.499 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001568068524 1124273927 /nfs/dbraw/zinc/27/39/27/1124273927.db2.gz YPHMVKMMXGAYHS-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001568118689 1124312217 /nfs/dbraw/zinc/31/22/17/1124312217.db2.gz BNMVBJFWLSCSPJ-ROUUACIJSA-N 2 0 333.451 2.379 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001568387439 1124457369 /nfs/dbraw/zinc/45/73/69/1124457369.db2.gz WMFTZFGUUZOCDK-HZPDHXFCSA-N 2 0 336.480 2.184 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001568396667 1124467180 /nfs/dbraw/zinc/46/71/80/1124467180.db2.gz JPOMKEXZQSBHGV-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001568405922 1124475468 /nfs/dbraw/zinc/47/54/68/1124475468.db2.gz AQJGLBAPORTIDJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCCF ZINC001568428954 1124496434 /nfs/dbraw/zinc/49/64/34/1124496434.db2.gz KSIUTFZWXAEYRO-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568632175 1124647298 /nfs/dbraw/zinc/64/72/98/1124647298.db2.gz JJBYTIIOKAFVTN-QFBILLFUSA-N 2 0 329.488 2.321 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568639890 1124653177 /nfs/dbraw/zinc/65/31/77/1124653177.db2.gz BMJDQXRFAKSQSK-CQSZACIVSA-N 2 0 336.480 2.267 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001568713535 1124731814 /nfs/dbraw/zinc/73/18/14/1124731814.db2.gz HEIXSSBALXPPNI-GOEBONIOSA-N 2 0 348.491 2.411 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@@H]1CCCc2ccccc21 ZINC001568964808 1125002058 /nfs/dbraw/zinc/00/20/58/1125002058.db2.gz XOEKTOCCZUDRQQ-GNAXCBTBSA-N 2 0 327.472 2.422 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CCc1c(F)cccc1Cl ZINC001569038346 1125058316 /nfs/dbraw/zinc/05/83/16/1125058316.db2.gz JLBMNSCGSABRMX-CYBMUJFWSA-N 2 0 343.874 2.456 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1C ZINC001569257944 1125199400 /nfs/dbraw/zinc/19/94/00/1125199400.db2.gz NMPPOONPNSDOHG-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000356091798 282089965 /nfs/dbraw/zinc/08/99/65/282089965.db2.gz MMXOFIFWABWQPW-HOCLYGCPSA-N 2 0 338.521 2.334 10 0 EEAERP CC(C)[NH2+]Cc1cc(Br)cnc1N1CCC[N@H+](C)CC1 ZINC000051437433 214093266 /nfs/dbraw/zinc/09/32/66/214093266.db2.gz HYXHSIKLMJOOIE-UHFFFAOYSA-N 2 0 341.297 2.484 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000092104748 539381154 /nfs/dbraw/zinc/38/11/54/539381154.db2.gz IUKLLIYAODCSPF-IEBWSBKVSA-N 2 0 345.487 2.118 10 0 EEAERP NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092589396 539385506 /nfs/dbraw/zinc/38/55/06/539385506.db2.gz GMWZDVSVEDGEIX-GOSISDBHSA-N 2 0 345.487 2.391 10 0 EEAERP O=C(CCc1c[nH]cn1)NCCN1CCc2c(Cl)cccc2C1 ZINC000194211995 539650799 /nfs/dbraw/zinc/65/07/99/539650799.db2.gz ZMMFLSBVWWEKEN-UHFFFAOYSA-N 2 0 332.835 2.170 10 0 EEAERP COCCCN1Cc2c(cccc2OC2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000071684982 215795563 /nfs/dbraw/zinc/79/55/63/215795563.db2.gz HINJKZHFKOQBSR-GOSISDBHSA-N 2 0 333.476 2.012 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[NH+](C2CCC2)CC1 ZINC000415961176 239024029 /nfs/dbraw/zinc/02/40/29/239024029.db2.gz QYYDCWSEFJQJDN-UHFFFAOYSA-N 2 0 332.423 2.173 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981848 239029827 /nfs/dbraw/zinc/02/98/27/239029827.db2.gz WNSAMVJHLJDRGL-SFHVURJKSA-N 2 0 326.444 2.440 10 0 EEAERP c1ccc(CC[NH+]2CCC(N[C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840269 240254796 /nfs/dbraw/zinc/25/47/96/240254796.db2.gz BFTIFLBPTJWXNX-NHCUHLMSSA-N 2 0 343.515 2.050 10 0 EEAERP C[C@H](CC[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+]1CCCCC1 ZINC000446760839 242219187 /nfs/dbraw/zinc/21/91/87/242219187.db2.gz VVIIOEITGHIKAM-OAHLLOKOSA-N 2 0 329.444 2.137 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000248124602 284344489 /nfs/dbraw/zinc/34/44/89/284344489.db2.gz VEKLMZDQEFKTKD-YTQUADARSA-N 2 0 344.503 2.415 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000079689000 217249653 /nfs/dbraw/zinc/24/96/53/217249653.db2.gz UNTCRQUAOIKUQF-IRXDYDNUSA-N 2 0 326.529 2.384 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494894127 247033236 /nfs/dbraw/zinc/03/32/36/247033236.db2.gz RNIZBOBMXFLTOF-HKUYNNGSSA-N 2 0 327.472 2.053 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000266638342 248393043 /nfs/dbraw/zinc/39/30/43/248393043.db2.gz BGZWHMGVWRDBCX-QRQLOZEOSA-N 2 0 344.503 2.385 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000246253046 284822402 /nfs/dbraw/zinc/82/24/02/284822402.db2.gz KBNMFURZYJXISD-LZLYRXPVSA-N 2 0 333.476 2.322 10 0 EEAERP COCCN1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000273024998 256258232 /nfs/dbraw/zinc/25/82/32/256258232.db2.gz FFOYQPZKVNLMFA-MRXNPFEDSA-N 2 0 348.422 2.119 10 0 EEAERP COC1([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000453075377 292145321 /nfs/dbraw/zinc/14/53/21/292145321.db2.gz FCRHTNXQSNLMOD-ULQDDVLXSA-N 2 0 328.497 2.050 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)[C@@H](C)C1 ZINC000358300852 286064037 /nfs/dbraw/zinc/06/40/37/286064037.db2.gz MNWQPVQGYGCOOZ-RDGPPVDQSA-N 2 0 340.508 2.051 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105169816 159298414 /nfs/dbraw/zinc/29/84/14/159298414.db2.gz YIOLDZNQVCURNI-GOSISDBHSA-N 2 0 346.519 2.333 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000184219071 160003052 /nfs/dbraw/zinc/00/30/52/160003052.db2.gz OIYRCLJEINVMMP-YTQUADARSA-N 2 0 344.503 2.290 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245414205 160232951 /nfs/dbraw/zinc/23/29/51/160232951.db2.gz CZRMIGFYKWNCHV-OKZBNKHCSA-N 2 0 338.540 2.480 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245414204 160233021 /nfs/dbraw/zinc/23/30/21/160233021.db2.gz CZRMIGFYKWNCHV-KZNAEPCWSA-N 2 0 338.540 2.480 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245463223 160237361 /nfs/dbraw/zinc/23/73/61/160237361.db2.gz ONMAGWXIHJHVFS-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000245896652 160256686 /nfs/dbraw/zinc/25/66/86/160256686.db2.gz DCBOBEDIXOSQFX-RBUKOAKNSA-N 2 0 344.503 2.374 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247470230 160325663 /nfs/dbraw/zinc/32/56/63/160325663.db2.gz GVKXNLPRCJTEJH-OALUTQOASA-N 2 0 342.487 2.141 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000338826999 160805005 /nfs/dbraw/zinc/80/50/05/160805005.db2.gz AOKKJENRHNZDIM-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CN(C)C[C@@H]3C)CC2)c1 ZINC000343190485 161111773 /nfs/dbraw/zinc/11/17/73/161111773.db2.gz FPIGKQIMHHSTST-PZJWPPBQSA-N 2 0 344.547 2.437 10 0 EEAERP CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000360338062 164287233 /nfs/dbraw/zinc/28/72/33/164287233.db2.gz OGASTCVSOHVUML-FGTMMUONSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000360338063 164287240 /nfs/dbraw/zinc/28/72/40/164287240.db2.gz OGASTCVSOHVUML-SQNIBIBYSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364212715 165053334 /nfs/dbraw/zinc/05/33/34/165053334.db2.gz KKBBMNWHLZHPCB-SQGPQFPESA-N 2 0 345.487 2.262 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901905 227349480 /nfs/dbraw/zinc/34/94/80/227349480.db2.gz GVKXNLPRCJTEJH-RBUKOAKNSA-N 2 0 342.487 2.141 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000274547158 274206804 /nfs/dbraw/zinc/20/68/04/274206804.db2.gz WZHRHZNISALEAP-MRXNPFEDSA-N 2 0 333.476 2.230 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000288731191 275082864 /nfs/dbraw/zinc/08/28/64/275082864.db2.gz DYVJPUSWGSLKJV-UHFFFAOYSA-N 2 0 345.487 2.276 10 0 EEAERP C[C@H](C(=O)N1CCc2sccc2C1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292179630 275389055 /nfs/dbraw/zinc/38/90/55/275389055.db2.gz QLCVNBADYQMTPS-KDOFPFPSSA-N 2 0 333.501 2.049 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000183362583 289101207 /nfs/dbraw/zinc/10/12/07/289101207.db2.gz XXVNDPYIUVKHCG-GPQLOAJWSA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+]1CC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H]1c1ccccc1 ZINC000489937530 290250249 /nfs/dbraw/zinc/25/02/49/290250249.db2.gz ZJCLGBCAFMVDKB-BJLQDIEVSA-N 2 0 342.487 2.169 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000299362036 294725231 /nfs/dbraw/zinc/72/52/31/294725231.db2.gz VRSAEJCTGIATIA-INIZCTEOSA-N 2 0 347.507 2.290 10 0 EEAERP [NH3+]CCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000423192082 295231510 /nfs/dbraw/zinc/23/15/10/295231510.db2.gz PGZIILOAJLSJNC-GFCCVEGCSA-N 2 0 346.212 2.443 10 0 EEAERP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1[NH3+] ZINC000333133995 312098480 /nfs/dbraw/zinc/09/84/80/312098480.db2.gz CBUWZATZQRKEOY-RMPXNZIMSA-N 2 0 342.487 2.171 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415564143 313144304 /nfs/dbraw/zinc/14/43/04/313144304.db2.gz HUVWHMBZAVRERP-LJQANCHMSA-N 2 0 330.476 2.398 10 0 EEAERP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416851871 313336727 /nfs/dbraw/zinc/33/67/27/313336727.db2.gz RUUICXYHADNQNW-ZZJWQFMZSA-N 2 0 344.503 2.084 10 0 EEAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416890501 313351087 /nfs/dbraw/zinc/35/10/87/313351087.db2.gz IVXUAAVPQBEHNF-QAPCUYQASA-N 2 0 330.476 2.161 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000416928255 313363219 /nfs/dbraw/zinc/36/32/19/313363219.db2.gz ULTLHYICTDJHKR-JKIFEVAISA-N 2 0 336.480 2.113 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416970564 313376187 /nfs/dbraw/zinc/37/61/87/313376187.db2.gz FFRGVUSKLPKDEV-HOTGVXAUSA-N 2 0 332.492 2.453 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000416970563 313376742 /nfs/dbraw/zinc/37/67/42/313376742.db2.gz FFRGVUSKLPKDEV-CVEARBPZSA-N 2 0 332.492 2.453 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000417424835 313511148 /nfs/dbraw/zinc/51/11/48/313511148.db2.gz WISJJTAYXNBYOK-IMJJTQAJSA-N 2 0 334.464 2.022 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000418070068 313705226 /nfs/dbraw/zinc/70/52/26/313705226.db2.gz TXZVVIZRBYSRBE-CVEARBPZSA-N 2 0 332.492 2.453 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418601463 313857121 /nfs/dbraw/zinc/85/71/21/313857121.db2.gz UNLZZVWCZKLALV-WMZOPIPTSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000418604807 313858028 /nfs/dbraw/zinc/85/80/28/313858028.db2.gz PCEKPMYREDJTEU-KURKYZTESA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421348099 314089777 /nfs/dbraw/zinc/08/97/77/314089777.db2.gz DWRXFNXHGCQVJX-MRXNPFEDSA-N 2 0 329.488 2.327 10 0 EEAERP COc1ccc(OCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239724 317703605 /nfs/dbraw/zinc/70/36/05/317703605.db2.gz UNIPQKUWAUFDOB-IBGZPJMESA-N 2 0 334.460 2.165 10 0 EEAERP CN(CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cc[nH+]cc1 ZINC000541856635 318112660 /nfs/dbraw/zinc/11/26/60/318112660.db2.gz ZFYXEJAJVGVIOF-QFBILLFUSA-N 2 0 342.487 2.383 10 0 EEAERP CCn1c2ccccc2nc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000545313211 318216698 /nfs/dbraw/zinc/21/66/98/318216698.db2.gz UWUKDDMIWNGSJV-INIZCTEOSA-N 2 0 329.492 2.172 10 0 EEAERP COc1ccc([C@H](C[NH3+])CN2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000564212349 319072703 /nfs/dbraw/zinc/07/27/03/319072703.db2.gz SYTWUPJCNVDZPD-XLIONFOSSA-N 2 0 325.456 2.296 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000566906099 319330864 /nfs/dbraw/zinc/33/08/64/319330864.db2.gz NHYGASFILZXWTB-CQSZACIVSA-N 2 0 341.459 2.331 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000567337119 319370486 /nfs/dbraw/zinc/37/04/86/319370486.db2.gz VTPFKGGMFCDGDD-SJLPKXTDSA-N 2 0 344.503 2.338 10 0 EEAERP C[NH+](C)CCOc1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000567362794 319373812 /nfs/dbraw/zinc/37/38/12/319373812.db2.gz DHOPUQCLZZTQGU-UHFFFAOYSA-N 2 0 341.455 2.058 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000576639785 320190941 /nfs/dbraw/zinc/19/09/41/320190941.db2.gz LUOGLCPZGKKTSR-FGTMMUONSA-N 2 0 333.451 2.343 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000578226097 320302114 /nfs/dbraw/zinc/30/21/14/320302114.db2.gz IHPPIOWYUZCWCX-CRAIPNDOSA-N 2 0 330.476 2.080 10 0 EEAERP CCC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000580315291 324038704 /nfs/dbraw/zinc/03/87/04/324038704.db2.gz BHGHEISAPIDQLC-KURKYZTESA-N 2 0 339.524 2.243 10 0 EEAERP Cc1cc(NC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)no1 ZINC000623068847 450389801 /nfs/dbraw/zinc/38/98/01/450389801.db2.gz MUCOZYMXYUINCY-UHFFFAOYSA-N 2 0 343.431 2.098 10 0 EEAERP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000568202565 468295782 /nfs/dbraw/zinc/29/57/82/468295782.db2.gz QJDJSNCESXMCTO-VQIMIIECSA-N 2 0 345.487 2.290 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000521471829 468317064 /nfs/dbraw/zinc/31/70/64/468317064.db2.gz UBZXSDNZNQEHDT-MOPGFXCFSA-N 2 0 344.503 2.463 10 0 EEAERP CC[N@H+](CCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000118784301 462853166 /nfs/dbraw/zinc/85/31/66/462853166.db2.gz BYMFJDWKIKPVJL-UHFFFAOYSA-N 2 0 344.503 2.043 10 0 EEAERP O[C@H](COc1ccccc1C[NH+]1CCCC1)C[NH+]1CCSCC1 ZINC000095522931 463102617 /nfs/dbraw/zinc/10/26/17/463102617.db2.gz DKLCSRRGCDRJSM-KRWDZBQOSA-N 2 0 336.501 2.071 10 0 EEAERP CNC(=O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nc3ccccc3o2)CC1 ZINC000095994217 463132009 /nfs/dbraw/zinc/13/20/09/463132009.db2.gz ZUZHJQRZOSQUIO-AWEZNQCLSA-N 2 0 344.459 2.279 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000568490183 468344990 /nfs/dbraw/zinc/34/49/90/468344990.db2.gz QTXVOHPLAZRCGF-RBUKOAKNSA-N 2 0 344.503 2.245 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000069505344 463263078 /nfs/dbraw/zinc/26/30/78/463263078.db2.gz QEJQTJOWAAAEAG-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP OCC[NH+]1CCC(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000069538469 463272943 /nfs/dbraw/zinc/27/29/43/463272943.db2.gz CIMYGFNBGGNIJN-UHFFFAOYSA-N 2 0 346.393 2.422 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000105862422 463480611 /nfs/dbraw/zinc/48/06/11/463480611.db2.gz FHNKOVOITRPFRD-QGZVFWFLSA-N 2 0 342.487 2.397 10 0 EEAERP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876716 463484740 /nfs/dbraw/zinc/48/47/40/463484740.db2.gz BXRZXZBXXGWXBU-SFHVURJKSA-N 2 0 343.471 2.423 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000106433531 463515769 /nfs/dbraw/zinc/51/57/69/463515769.db2.gz SFDZGVBVBVOPMP-HXUWFJFHSA-N 2 0 339.483 2.408 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107814190 463583838 /nfs/dbraw/zinc/58/38/38/463583838.db2.gz MDWUQLSYYSXPPD-MSOLQXFVSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000286969227 463757589 /nfs/dbraw/zinc/75/75/89/463757589.db2.gz BFIARRRWXFVMBZ-BPQIPLTHSA-N 2 0 330.476 2.043 10 0 EEAERP CC[NH+]1CCC[C@@H](Nc2cc(N[C@@H]3CCC[N@@H+](CC)C3)ncn2)C1 ZINC000185228814 463782106 /nfs/dbraw/zinc/78/21/06/463782106.db2.gz OLZQIMZJABXOKH-HZPDHXFCSA-N 2 0 332.496 2.269 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000579569413 468377326 /nfs/dbraw/zinc/37/73/26/468377326.db2.gz OABNNRGAFQTMLL-ZDUSSCGKSA-N 2 0 334.439 2.467 10 0 EEAERP CO[C@H](C)c1nc(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261899286 463892664 /nfs/dbraw/zinc/89/26/64/463892664.db2.gz HLBNSFWTFBCURV-BEAPCOKYSA-N 2 0 325.478 2.097 10 0 EEAERP CC1CC[NH+]([C@@H](CNC(=O)C2([NH3+])CCOCC2)c2ccccc2)CC1 ZINC000261902325 463894043 /nfs/dbraw/zinc/89/40/43/463894043.db2.gz RTVJKGXWAIZFEZ-SFHVURJKSA-N 2 0 345.487 2.084 10 0 EEAERP COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000262139674 463956811 /nfs/dbraw/zinc/95/68/11/463956811.db2.gz ZBGOBJCZROMWCK-QGZVFWFLSA-N 2 0 333.476 2.132 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246542108 464598053 /nfs/dbraw/zinc/59/80/53/464598053.db2.gz WMGCTERNLCXWKU-KURKYZTESA-N 2 0 338.540 2.479 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246582878 464601881 /nfs/dbraw/zinc/60/18/81/464601881.db2.gz ZLOKMMUWHYHYEK-BZSNNMDCSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000247535165 464692154 /nfs/dbraw/zinc/69/21/54/464692154.db2.gz XWUBITPKQIRPLQ-NJAFHUGGSA-N 2 0 330.476 2.167 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248683698 464786435 /nfs/dbraw/zinc/78/64/35/464786435.db2.gz FLHILKUUVGRRAK-FRRDWIJNSA-N 2 0 325.478 2.181 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CCOCC1 ZINC000183343553 464852727 /nfs/dbraw/zinc/85/27/27/464852727.db2.gz KXCPAEGRSVPEIM-GOSISDBHSA-N 2 0 348.491 2.014 10 0 EEAERP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000176891973 464876998 /nfs/dbraw/zinc/87/69/98/464876998.db2.gz SMPXZXWIOUJGES-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP C[NH+](C)CC1(CNC(=O)NCc2ccc3c[nH+]cn3c2)CCCC1 ZINC000298217632 465335294 /nfs/dbraw/zinc/33/52/94/465335294.db2.gz HABUGUDXEAUXTO-UHFFFAOYSA-N 2 0 329.448 2.256 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351914060 465438077 /nfs/dbraw/zinc/43/80/77/465438077.db2.gz YRIPGQBBFHTDRN-MRXNPFEDSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000348212905 465492880 /nfs/dbraw/zinc/49/28/80/465492880.db2.gz ZNESRNUTNNTITA-FGTMMUONSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000366885220 465994516 /nfs/dbraw/zinc/99/45/16/465994516.db2.gz PHMSZNQQJQXYIP-IBGZPJMESA-N 2 0 332.488 2.372 10 0 EEAERP C[N@H+](CCNC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000338363600 466063443 /nfs/dbraw/zinc/06/34/43/466063443.db2.gz XWEVGIGMSIMIFF-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP CCn1nccc1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000338572945 466226771 /nfs/dbraw/zinc/22/67/71/466226771.db2.gz XWBQAIQTVYPJHU-UHFFFAOYSA-N 2 0 334.508 2.270 10 0 EEAERP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000331906697 466298123 /nfs/dbraw/zinc/29/81/23/466298123.db2.gz LFXMDUNEHXVFHI-SPUZQDLCSA-N 2 0 330.476 2.201 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569489128 468499201 /nfs/dbraw/zinc/49/92/01/468499201.db2.gz JUECJINEZHDJTJ-ICSRJNTNSA-N 2 0 327.472 2.253 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCc3nccn3C2)C1 ZINC000364161651 466686180 /nfs/dbraw/zinc/68/61/80/466686180.db2.gz POIPRJLYIFPABI-ZACQAIPSSA-N 2 0 347.507 2.113 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1O ZINC000423516426 466763497 /nfs/dbraw/zinc/76/34/97/466763497.db2.gz WWGQYQDNKKTZJC-ODIFPOPNSA-N 2 0 333.476 2.268 10 0 EEAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)OCO2 ZINC000423519036 466764864 /nfs/dbraw/zinc/76/48/64/466764864.db2.gz PPKDPTBEKKJSEJ-ODIFPOPNSA-N 2 0 331.460 2.282 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373400694 466792347 /nfs/dbraw/zinc/79/23/47/466792347.db2.gz RFMNBVLMUKIIOU-AOCRQIFASA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H](C[NH3+])N(C)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417692369 466910034 /nfs/dbraw/zinc/91/00/34/466910034.db2.gz YEIPNICVDBWTGJ-CRAIPNDOSA-N 2 0 346.519 2.448 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417913594 466983260 /nfs/dbraw/zinc/98/32/60/466983260.db2.gz QTVJVHYWUMURPH-PKOBYXMFSA-N 2 0 336.524 2.140 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417942480 466996237 /nfs/dbraw/zinc/99/62/37/466996237.db2.gz OAPKDYPKGSMWLO-NLWGTHIKSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000424323058 467029375 /nfs/dbraw/zinc/02/93/75/467029375.db2.gz KJKVKCMGZOXIKD-HZPDHXFCSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424337277 467031958 /nfs/dbraw/zinc/03/19/58/467031958.db2.gz ZZQDGKMEQSFCNO-UHOSZYNNSA-N 2 0 329.488 2.355 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418103740 467045233 /nfs/dbraw/zinc/04/52/33/467045233.db2.gz WQESHAUEVPBWPK-SFHVURJKSA-N 2 0 346.519 2.320 10 0 EEAERP [NH3+]CCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418350764 467096602 /nfs/dbraw/zinc/09/66/02/467096602.db2.gz LQNPUFOTWRQIFI-LJQANCHMSA-N 2 0 330.476 2.033 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000418587321 467132441 /nfs/dbraw/zinc/13/24/41/467132441.db2.gz GMWVIGLBLJGTEP-NVXWUHKLSA-N 2 0 332.492 2.194 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2C2CC2)(N2CCOCC2)CC1 ZINC000414205225 467390717 /nfs/dbraw/zinc/39/07/17/467390717.db2.gz XCVWNGWNDRAQRF-OALUTQOASA-N 2 0 335.536 2.341 10 0 EEAERP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414685053 467428628 /nfs/dbraw/zinc/42/86/28/467428628.db2.gz XQPHEJVOJGXOOS-AEFFLSMTSA-N 2 0 329.488 2.403 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000453266886 467473191 /nfs/dbraw/zinc/47/31/91/467473191.db2.gz XTJDANJWPUEQMQ-GIVPXCGWSA-N 2 0 345.531 2.333 10 0 EEAERP CCc1cc(NCc2ccc(N3CC[NH+](CC)CC3)nc2)cc[nH+]1 ZINC000450251607 467808615 /nfs/dbraw/zinc/80/86/15/467808615.db2.gz CABXWBZYCMVYMD-UHFFFAOYSA-N 2 0 325.460 2.215 10 0 EEAERP c1[nH]nc(-c2cccnc2)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248597 467967981 /nfs/dbraw/zinc/96/79/81/467967981.db2.gz MXGABFOILIDSNZ-SFHVURJKSA-N 2 0 341.459 2.062 10 0 EEAERP CC[NH+]1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000530969360 468021235 /nfs/dbraw/zinc/02/12/35/468021235.db2.gz UJDDLPZJMMJLBG-UHFFFAOYSA-N 2 0 330.476 2.207 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC1(C)C ZINC000487274066 468030594 /nfs/dbraw/zinc/03/05/94/468030594.db2.gz FTLYGFFYOWWFCQ-DLBZAZTESA-N 2 0 331.508 2.403 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749680 468045066 /nfs/dbraw/zinc/04/50/66/468045066.db2.gz IXFPNUVIZKLIRB-LMSBXDPUSA-N 2 0 330.476 2.119 10 0 EEAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000567821329 468217014 /nfs/dbraw/zinc/21/70/14/468217014.db2.gz ZBOQKAHRCPDZPF-QFBILLFUSA-N 2 0 344.503 2.375 10 0 EEAERP CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000582237315 468510820 /nfs/dbraw/zinc/51/08/20/468510820.db2.gz WCAWLNDDYLHEOJ-QWHCGFSZSA-N 2 0 333.457 2.018 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000561125461 468865583 /nfs/dbraw/zinc/86/55/83/468865583.db2.gz VJFNVGLBHVAUTA-GOSISDBHSA-N 2 0 344.503 2.401 10 0 EEAERP CCC[NH+](CCC)CCCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615262535 469194364 /nfs/dbraw/zinc/19/43/64/469194364.db2.gz GLGVGZBQUOXVDQ-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)c2)CC1 ZINC000625879031 469422134 /nfs/dbraw/zinc/42/21/34/469422134.db2.gz DNRUDFMNOKSVPX-NVXWUHKLSA-N 2 0 345.491 2.091 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000625879522 469422656 /nfs/dbraw/zinc/42/26/56/469422656.db2.gz VSSCAKGLXLOLNI-ZWKOTPCHSA-N 2 0 345.491 2.091 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000603758194 469427442 /nfs/dbraw/zinc/42/74/42/469427442.db2.gz GXUOATLXUBIHML-SQNIBIBYSA-N 2 0 336.524 2.377 10 0 EEAERP CN(CCC[NH2+]Cc1ccccc1-c1ccnn1C)CC[NH+](C)C ZINC000623087294 469545667 /nfs/dbraw/zinc/54/56/67/469545667.db2.gz JOTCPUDDTHGHNA-UHFFFAOYSA-N 2 0 329.492 2.060 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000629523155 469571339 /nfs/dbraw/zinc/57/13/39/469571339.db2.gz AIMGVQAKXNBIJD-MFKMUULPSA-N 2 0 328.254 2.460 10 0 EEAERP COc1ccccc1N1CC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445425 469658528 /nfs/dbraw/zinc/65/85/28/469658528.db2.gz QVEWCZSCLGOFKK-HUUCEWRRSA-N 2 0 331.460 2.263 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000626917645 469754085 /nfs/dbraw/zinc/75/40/85/469754085.db2.gz DQOPOOWSSPPRKM-YJBOKZPZSA-N 2 0 330.476 2.091 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000626946498 469765369 /nfs/dbraw/zinc/76/53/69/469765369.db2.gz RDDSKIMSZGJKMG-NRSFXHEJSA-N 2 0 330.476 2.262 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000626992575 469780637 /nfs/dbraw/zinc/78/06/37/469780637.db2.gz XAELDRLUTOBTDF-BGYRXZFFSA-N 2 0 348.535 2.425 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)CC1 ZINC000627004310 469785866 /nfs/dbraw/zinc/78/58/66/469785866.db2.gz JANFSFVSECDUQO-NALMEZQBSA-N 2 0 336.524 2.469 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009314 469788545 /nfs/dbraw/zinc/78/85/45/469788545.db2.gz GGTDBMOGRAPRJS-DSLXNQLJSA-N 2 0 344.503 2.337 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)NCC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627083490 469809276 /nfs/dbraw/zinc/80/92/76/469809276.db2.gz SXBBQPLIOSKSOX-CQSZACIVSA-N 2 0 345.274 2.115 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627197765 469841316 /nfs/dbraw/zinc/84/13/16/469841316.db2.gz NVGAVQBSNQWKEM-MAUKXSAKSA-N 2 0 332.492 2.420 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)[C@H](C)C1 ZINC000624102421 469841579 /nfs/dbraw/zinc/84/15/79/469841579.db2.gz VWJGEOQFYIDGNH-HUUCEWRRSA-N 2 0 334.451 2.263 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC[N@@H+]1C ZINC000630576062 469907396 /nfs/dbraw/zinc/90/73/96/469907396.db2.gz GNUVHHOIKMUAEN-KSZLIROESA-N 2 0 333.476 2.144 10 0 EEAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000620904683 469945678 /nfs/dbraw/zinc/94/56/78/469945678.db2.gz WQPFITXFSWAWQW-YTQUADARSA-N 2 0 329.488 2.498 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000625540103 470162637 /nfs/dbraw/zinc/16/26/37/470162637.db2.gz DVTGCOJHIYHANB-MRXNPFEDSA-N 2 0 341.540 2.312 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC[N@@H+]1C ZINC000632042249 470198044 /nfs/dbraw/zinc/19/80/44/470198044.db2.gz ITYROAKAXCAKEZ-AYOQOUSVSA-N 2 0 344.503 2.454 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC[N@@H+]1C ZINC000632042250 470198136 /nfs/dbraw/zinc/19/81/36/470198136.db2.gz ITYROAKAXCAKEZ-ZYSHUDEJSA-N 2 0 344.503 2.454 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000634700402 470281109 /nfs/dbraw/zinc/28/11/09/470281109.db2.gz ZKMNJVVZTKEGCK-UXHICEINSA-N 2 0 332.488 2.284 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634701926 470281578 /nfs/dbraw/zinc/28/15/78/470281578.db2.gz YBGNUHIXPXKJKS-OAQYLSRUSA-N 2 0 345.531 2.335 10 0 EEAERP CCN(C(=O)NC/C=C/C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000641869644 470505901 /nfs/dbraw/zinc/50/59/01/470505901.db2.gz DVJGSCXLWYPXEK-FPTDEYDUSA-N 2 0 330.476 2.368 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000646192953 470560463 /nfs/dbraw/zinc/56/04/63/470560463.db2.gz RJTIGDGDIWDMPJ-MJGOQNOKSA-N 2 0 342.487 2.271 10 0 EEAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCC1C[NH2+]C1 ZINC000638387464 471071548 /nfs/dbraw/zinc/07/15/48/471071548.db2.gz USUUYLSAXQECFL-YESZJQIVSA-N 2 0 329.488 2.496 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000651191520 471085094 /nfs/dbraw/zinc/08/50/94/471085094.db2.gz BXDSWISNVSHASA-UHFFFAOYSA-N 2 0 338.540 2.482 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000651195960 471085709 /nfs/dbraw/zinc/08/57/09/471085709.db2.gz HEQCCXIHDMTAOD-KRWDZBQOSA-N 2 0 338.540 2.480 10 0 EEAERP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)CO1 ZINC000657313290 471094568 /nfs/dbraw/zinc/09/45/68/471094568.db2.gz SGTOJMGOVJAZNW-UXHICEINSA-N 2 0 331.504 2.481 10 0 EEAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@H](C)O1 ZINC000657367662 471115117 /nfs/dbraw/zinc/11/51/17/471115117.db2.gz RIKGYWBAKJUXSP-BETUJISGSA-N 2 0 348.413 2.418 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CO1 ZINC000657363695 471115542 /nfs/dbraw/zinc/11/55/42/471115542.db2.gz AVFNCJHRONDNFK-RTBURBONSA-N 2 0 345.487 2.169 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000657573943 471173987 /nfs/dbraw/zinc/17/39/87/471173987.db2.gz QNJPHNMHRNQHAL-KRWDZBQOSA-N 2 0 333.524 2.043 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC000657602012 471182582 /nfs/dbraw/zinc/18/25/82/471182582.db2.gz DVCHXQQWIXLNQH-KRWDZBQOSA-N 2 0 331.504 2.469 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652141065 471243884 /nfs/dbraw/zinc/24/38/84/471243884.db2.gz DVAJBMDQOKBHFB-SFHVURJKSA-N 2 0 344.503 2.327 10 0 EEAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515320 471360837 /nfs/dbraw/zinc/36/08/37/471360837.db2.gz XWLJIPVLZASVMD-OCCSQVGLSA-N 2 0 347.356 2.044 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2OC)CC1 ZINC000663506917 471405161 /nfs/dbraw/zinc/40/51/61/471405161.db2.gz XPCMEZXQLAJWIN-MRXNPFEDSA-N 2 0 347.503 2.206 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000660671843 471440533 /nfs/dbraw/zinc/44/05/33/471440533.db2.gz JSJAMPLMGDWFGS-MRXNPFEDSA-N 2 0 336.455 2.171 10 0 EEAERP C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000655748636 471467795 /nfs/dbraw/zinc/46/77/95/471467795.db2.gz FFHMGRBAECAXOG-JQHSSLGASA-N 2 0 349.544 2.149 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000655827016 471496091 /nfs/dbraw/zinc/49/60/91/471496091.db2.gz MXEJCGCCMMTOIT-KLPPZKSPSA-N 2 0 328.359 2.447 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)NC/C=C/C[NH3+])CCCC1)c1ccccc1 ZINC000669479724 471513205 /nfs/dbraw/zinc/51/32/05/471513205.db2.gz QUQZMHIWPIIZPY-KXPUMZMLSA-N 2 0 330.476 2.464 10 0 EEAERP CC[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000669485157 471515214 /nfs/dbraw/zinc/51/52/14/471515214.db2.gz UDLDAAMASRTQFW-PBHICJAKSA-N 2 0 336.455 2.156 10 0 EEAERP CCN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000663785098 471517608 /nfs/dbraw/zinc/51/76/08/471517608.db2.gz DGHKNIAXGVIADG-GOSISDBHSA-N 2 0 332.492 2.244 10 0 EEAERP C[C@H](CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655923456 471542429 /nfs/dbraw/zinc/54/24/29/471542429.db2.gz YOZNWRVBFRNQQC-OCCSQVGLSA-N 2 0 346.397 2.086 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000659437848 471628174 /nfs/dbraw/zinc/62/81/74/471628174.db2.gz JWMYNCWMBRDZAV-GOSISDBHSA-N 2 0 346.519 2.496 10 0 EEAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659502898 471659260 /nfs/dbraw/zinc/65/92/60/471659260.db2.gz CVSRPLXLEWHDEU-QXAKKESOSA-N 2 0 344.503 2.163 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659580355 471685930 /nfs/dbraw/zinc/68/59/30/471685930.db2.gz QVIPJAFMVMXQND-GUDVDZBRSA-N 2 0 344.503 2.114 10 0 EEAERP C[N@H+](CCn1cc(C[C@@H]2CCC[NH2+]C2)nn1)Cc1cccc(F)c1 ZINC000656450278 471721217 /nfs/dbraw/zinc/72/12/17/471721217.db2.gz QGDKUQCPJTUBRR-HNNXBMFYSA-N 2 0 331.439 2.091 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396802 471741179 /nfs/dbraw/zinc/74/11/79/471741179.db2.gz MHIYRRJLPDOXFP-DLBZAZTESA-N 2 0 332.492 2.461 10 0 EEAERP CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664578151 471800360 /nfs/dbraw/zinc/80/03/60/471800360.db2.gz YBINZBDYARVDDA-GOSISDBHSA-N 2 0 345.491 2.034 10 0 EEAERP CCc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664583835 471801842 /nfs/dbraw/zinc/80/18/42/471801842.db2.gz ZMNYZLZUMLAVSX-JKSUJKDBSA-N 2 0 349.523 2.276 10 0 EEAERP C[C@@H]1C[NH+](CCCCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661627242 471831995 /nfs/dbraw/zinc/83/19/95/471831995.db2.gz PSJLHALEZPKJCT-HMQPTBHHSA-N 2 0 326.525 2.054 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC1CC(C(C)(C)C)C1 ZINC000664962041 471910807 /nfs/dbraw/zinc/91/08/07/471910807.db2.gz GJNNTOJLGAXAJU-FHERZECASA-N 2 0 326.529 2.382 10 0 EEAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668012679 471977919 /nfs/dbraw/zinc/97/79/19/471977919.db2.gz HZACQIGMPJAVMV-PMACEKPBSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000665287215 471990281 /nfs/dbraw/zinc/99/02/81/471990281.db2.gz FKZITXXKJNYFSL-IBGZPJMESA-N 2 0 332.492 2.359 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000665367490 472023210 /nfs/dbraw/zinc/02/32/10/472023210.db2.gz YQVQZIJPIKGJMX-KRWDZBQOSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CCO1 ZINC000662320570 472070202 /nfs/dbraw/zinc/07/02/02/472070202.db2.gz COPPXOFAXBPFAC-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000662401387 472098440 /nfs/dbraw/zinc/09/84/40/472098440.db2.gz TWUROXBRCFRKHA-OALUTQOASA-N 2 0 347.503 2.328 10 0 EEAERP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662684444 472205619 /nfs/dbraw/zinc/20/56/19/472205619.db2.gz YXMALJIOGJZVET-UHFFFAOYSA-N 2 0 343.471 2.257 10 0 EEAERP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000662698629 472213070 /nfs/dbraw/zinc/21/30/70/472213070.db2.gz PBTLAOAAPARTSO-HNNXBMFYSA-N 2 0 327.472 2.224 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000668660943 472213868 /nfs/dbraw/zinc/21/38/68/472213868.db2.gz IINKZMAEDVUZOD-QLFBSQMISA-N 2 0 336.505 2.182 10 0 EEAERP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000662737308 472229102 /nfs/dbraw/zinc/22/91/02/472229102.db2.gz XUHCYOUKLGSPAU-CQSZACIVSA-N 2 0 341.377 2.277 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[NH2+]C(C)C)cc1 ZINC000662868444 472284041 /nfs/dbraw/zinc/28/40/41/472284041.db2.gz IVDZIIBVKXRDBB-ROUUACIJSA-N 2 0 333.476 2.035 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000673862416 485560354 /nfs/dbraw/zinc/56/03/54/485560354.db2.gz KPUAJMNXFAYULX-CVEARBPZSA-N 2 0 326.404 2.016 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000629545018 485732267 /nfs/dbraw/zinc/73/22/67/485732267.db2.gz PCUOSXOERLDRDQ-LUXYFRNMSA-N 2 0 341.455 2.324 10 0 EEAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000680468338 485977990 /nfs/dbraw/zinc/97/79/90/485977990.db2.gz REHXHHLGVJBAQC-AWEZNQCLSA-N 2 0 342.447 2.461 10 0 EEAERP Cc1cc(Br)cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000774992182 577425681 /nfs/dbraw/zinc/42/56/81/577425681.db2.gz NDTKDXPEHYVLSN-AWEZNQCLSA-N 2 0 340.309 2.483 10 0 EEAERP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc(OC)n1 ZINC000924953176 681919340 /nfs/dbraw/zinc/91/93/40/681919340.db2.gz QAVDNNMOUYWKEH-DLBZAZTESA-N 2 0 334.508 2.405 10 0 EEAERP COC(=O)[C@@H]1[C@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1(F)F ZINC000894766884 683081781 /nfs/dbraw/zinc/08/17/81/683081781.db2.gz WRFXBUPNGUQAMW-GJZGRUSLSA-N 2 0 326.387 2.234 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899448312 693744206 /nfs/dbraw/zinc/74/42/06/693744206.db2.gz MHSAYKUDOQJARP-HSALFYBXSA-N 2 0 341.499 2.309 10 0 EEAERP C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCCCC1 ZINC000914293995 683464624 /nfs/dbraw/zinc/46/46/24/683464624.db2.gz SNWULXFCUMODCW-AEFFLSMTSA-N 2 0 347.507 2.248 10 0 EEAERP COc1ccc(C[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)cc1C ZINC001485763516 1191937652 /nfs/dbraw/zinc/93/76/52/1191937652.db2.gz VCEBREZVFJMJPV-UHFFFAOYSA-N 2 0 347.503 2.378 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001266368523 1176433182 /nfs/dbraw/zinc/43/31/82/1176433182.db2.gz JRVZOJDXERRAOK-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001772526451 1176884227 /nfs/dbraw/zinc/88/42/27/1176884227.db2.gz PFVMIBVZZWAMEU-QZTJIDSGSA-N 2 0 325.460 2.267 10 0 EEAERP CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cccc(Cl)n1 ZINC001691040544 1176961533 /nfs/dbraw/zinc/96/15/33/1176961533.db2.gz NTDPOOCJLMHZQV-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC001266865636 1177619859 /nfs/dbraw/zinc/61/98/59/1177619859.db2.gz YHCATUNOWZLVEW-DOTOQJQBSA-N 2 0 335.517 2.356 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001691277752 1177811061 /nfs/dbraw/zinc/81/10/61/1177811061.db2.gz IIVLBDAWFLGAFG-OAHLLOKOSA-N 2 0 343.393 2.348 10 0 EEAERP C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C[NH2+]CCCF)C1 ZINC001692087791 1177914279 /nfs/dbraw/zinc/91/42/79/1177914279.db2.gz QIJLUXXDZBZJQZ-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935013 1178845453 /nfs/dbraw/zinc/84/54/53/1178845453.db2.gz JOHBTEKIZLUGCM-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001267480849 1179134291 /nfs/dbraw/zinc/13/42/91/1179134291.db2.gz BRLGIAHGMSBRRR-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001481041356 1179602887 /nfs/dbraw/zinc/60/28/87/1179602887.db2.gz CXGZBFVRGDWWMW-OLZOCXBDSA-N 2 0 341.393 2.199 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001481093275 1179722937 /nfs/dbraw/zinc/72/29/37/1179722937.db2.gz WUACYAHLEUMEKX-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001481107830 1179756331 /nfs/dbraw/zinc/75/63/31/1179756331.db2.gz JPPCQBWDPCEWRZ-OAHLLOKOSA-N 2 0 338.883 2.015 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001481124750 1179832318 /nfs/dbraw/zinc/83/23/18/1179832318.db2.gz UEYOXHLUHFKIGK-ZIAGYGMSSA-N 2 0 348.318 2.104 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267627402 1180019582 /nfs/dbraw/zinc/01/95/82/1180019582.db2.gz AJYXOTHCWVMNGE-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267628708 1180032084 /nfs/dbraw/zinc/03/20/84/1180032084.db2.gz HWTJTWWBJPMVNQ-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncc(CN2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001267633730 1180058481 /nfs/dbraw/zinc/05/84/81/1180058481.db2.gz MKIGWLMDBQJWHU-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242721 1180418171 /nfs/dbraw/zinc/41/81/71/1180418171.db2.gz UHFBFAVWALLEEG-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001267776819 1180506504 /nfs/dbraw/zinc/50/65/04/1180506504.db2.gz GGRHFVWKUURGDX-KBPBESRZSA-N 2 0 335.414 2.203 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001481463356 1181468466 /nfs/dbraw/zinc/46/84/66/1181468466.db2.gz DZAYFUGXJAYGLU-VQTJNVASSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001268068076 1181664362 /nfs/dbraw/zinc/66/43/62/1181664362.db2.gz JMYPOMJFBYKUQR-HNNXBMFYSA-N 2 0 335.467 2.289 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001268130943 1181782286 /nfs/dbraw/zinc/78/22/86/1181782286.db2.gz JAEXIUNMLAIRCN-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC001481748692 1182527294 /nfs/dbraw/zinc/52/72/94/1182527294.db2.gz JVGZEDMAFAQLFR-LJQANCHMSA-N 2 0 346.519 2.463 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268427372 1182596138 /nfs/dbraw/zinc/59/61/38/1182596138.db2.gz WNILCEOZFKNOSS-QFBILLFUSA-N 2 0 347.503 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001268427695 1182599725 /nfs/dbraw/zinc/59/97/25/1182599725.db2.gz ZHMISDSQYFDQNS-RHSMWYFYSA-N 2 0 348.491 2.411 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cnccc1C ZINC001481813760 1182729112 /nfs/dbraw/zinc/72/91/12/1182729112.db2.gz MWXVWZMSNMNSPD-FGTMMUONSA-N 2 0 332.492 2.105 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCF)CCCC2)CCCCC1 ZINC001481900827 1182915228 /nfs/dbraw/zinc/91/52/28/1182915228.db2.gz DJZPLKMJWNGTBR-UHFFFAOYSA-N 2 0 327.488 2.487 10 0 EEAERP Cc1ncoc1C[NH2+]CC1(NC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001481912784 1182937011 /nfs/dbraw/zinc/93/70/11/1182937011.db2.gz HDVMHGFLUZZTGF-UHFFFAOYSA-N 2 0 348.491 2.378 10 0 EEAERP CCN(CC[NH2+]CC1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268482702 1182943634 /nfs/dbraw/zinc/94/36/34/1182943634.db2.gz WEAVWPOXUJQPSU-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@](C[NH2+]Cc1ccsc1)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481931344 1182979021 /nfs/dbraw/zinc/97/90/21/1182979021.db2.gz NFSDDFCQEKXMBN-MJGOQNOKSA-N 2 0 347.528 2.464 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC001481941959 1183001545 /nfs/dbraw/zinc/00/15/45/1183001545.db2.gz YSFZZYGSGKJMTN-SFHVURJKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001482017050 1183136415 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338.521 2.344 10 0 EEAERP Cc1ccccc1CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001269535261 1184361273 /nfs/dbraw/zinc/36/12/73/1184361273.db2.gz FAEDAHCWVOABBW-UHFFFAOYSA-N 2 0 329.488 2.262 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001269901888 1184704558 /nfs/dbraw/zinc/70/45/58/1184704558.db2.gz KTIXGMYMNRMANE-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001270035669 1184803088 /nfs/dbraw/zinc/80/30/88/1184803088.db2.gz DWIRKTALHZANNI-KZNAEPCWSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284180 1185062562 /nfs/dbraw/zinc/06/25/62/1185062562.db2.gz VTSGWGUZBHSUHM-YXJHDRRASA-N 2 0 349.523 2.049 10 0 EEAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH2+]C/C=C\Cl ZINC001270517588 1185142625 /nfs/dbraw/zinc/14/26/25/1185142625.db2.gz RFEVPCJQYCEETE-UQXCZLMFSA-N 2 0 333.879 2.293 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC[C@@H](C)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001482387885 1185593465 /nfs/dbraw/zinc/59/34/65/1185593465.db2.gz SVEQCCKMWWXMBV-CVEARBPZSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001482459209 1185913289 /nfs/dbraw/zinc/91/32/89/1185913289.db2.gz VOUBIFPOBFLUOC-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001482461346 1185926524 /nfs/dbraw/zinc/92/65/24/1185926524.db2.gz HNBFNISOUGEPFV-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001482850740 1187769973 /nfs/dbraw/zinc/76/99/73/1187769973.db2.gz JIKMDZVCZMFXQI-INIZCTEOSA-N 2 0 347.478 2.481 10 0 EEAERP C[C@@H](CC[NH2+]CCc1c(F)cccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860174 1187773977 /nfs/dbraw/zinc/77/39/77/1187773977.db2.gz GBJDLSQDECDVBT-SUMWQHHRSA-N 2 0 339.430 2.086 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482966911 1187903784 /nfs/dbraw/zinc/90/37/84/1187903784.db2.gz IORRPXQYGFGLCJ-INIZCTEOSA-N 2 0 337.895 2.272 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)CC[NH+]1CCCCC1 ZINC001691619186 1188319324 /nfs/dbraw/zinc/31/93/24/1188319324.db2.gz FZQAQNKNOXDJGH-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cccc(Cl)c1F ZINC001483091919 1188459437 /nfs/dbraw/zinc/45/94/37/1188459437.db2.gz BKGLGIBPJHSWAV-OWOJBTEDSA-N 2 0 339.842 2.337 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC001483093333 1188461724 /nfs/dbraw/zinc/46/17/24/1188461724.db2.gz PHIQXNMWEKPKFH-HSWBROFVSA-N 2 0 337.414 2.384 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/CNC/C(Cl)=C/Cl ZINC001483097873 1188473259 /nfs/dbraw/zinc/47/32/59/1188473259.db2.gz MWJHZNNXROPBOA-CUWMUVSZSA-N 2 0 334.291 2.440 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001409275998 1188585662 /nfs/dbraw/zinc/58/56/62/1188585662.db2.gz LENHPXOTXPJXJT-UHFFFAOYSA-N 2 0 332.492 2.025 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1OC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135370 1188673233 /nfs/dbraw/zinc/67/32/33/1188673233.db2.gz AYXXYIFMNCTWLN-OAHLLOKOSA-N 2 0 345.487 2.306 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483157704 1188968379 /nfs/dbraw/zinc/96/83/79/1188968379.db2.gz WYVFLSGDBYQREH-RHSMWYFYSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483184780 1189051504 /nfs/dbraw/zinc/05/15/04/1189051504.db2.gz VNPCJPKFWKMERZ-UKRRQHHQSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001483234561 1189721916 /nfs/dbraw/zinc/72/19/16/1189721916.db2.gz TUJZJKZIXCBDMC-RYUDHWBXSA-N 2 0 336.307 2.149 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001409628078 1190125875 /nfs/dbraw/zinc/12/58/75/1190125875.db2.gz DIWRKPLEOGEMRV-IAGOWNOFSA-N 2 0 347.503 2.282 10 0 EEAERP CO[C@H](C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001483254277 1190282358 /nfs/dbraw/zinc/28/23/58/1190282358.db2.gz AZPFLFDYPYQUDU-DOTOQJQBSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC001483272109 1190296355 /nfs/dbraw/zinc/29/63/55/1190296355.db2.gz KGNOKVKTLAYNBJ-KBXCAEBGSA-N 2 0 348.491 2.409 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001483282608 1190305321 /nfs/dbraw/zinc/30/53/21/1190305321.db2.gz UJZQNJIIONWMJO-KSSFIOAISA-N 2 0 344.459 2.270 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001483352638 1190387950 /nfs/dbraw/zinc/38/79/50/1190387950.db2.gz HNXCEHVBCODFDM-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)s1 ZINC001483409121 1190455436 /nfs/dbraw/zinc/45/54/36/1190455436.db2.gz RFUQVUCCDANPPA-WFASDCNBSA-N 2 0 338.521 2.038 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001483466324 1190489840 /nfs/dbraw/zinc/48/98/40/1190489840.db2.gz GUOASLWFPDDBAT-RBUKOAKNSA-N 2 0 346.519 2.367 10 0 EEAERP Cc1cnc2cc(C(=O)N3CC[C@@H]([NH2+]CCOC(C)C)[C@@H]3C)ccn12 ZINC001486077952 1193681862 /nfs/dbraw/zinc/68/18/62/1193681862.db2.gz CFUCUCGLSSIMDU-DOTOQJQBSA-N 2 0 344.459 2.260 10 0 EEAERP Cc1cnc2cc(C(=O)N3CC[C@H]([NH2+]CCOC(C)C)[C@H]3C)ccn12 ZINC001486077954 1193681991 /nfs/dbraw/zinc/68/19/91/1193681991.db2.gz CFUCUCGLSSIMDU-WBVHZDCISA-N 2 0 344.459 2.260 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C[NH+]1CCCC1 ZINC001483509833 1190524196 /nfs/dbraw/zinc/52/41/96/1190524196.db2.gz PJZPAWVTGGMYJP-UHFFFAOYSA-N 2 0 328.460 2.202 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(F)cn2)CCCCC1 ZINC001409787247 1190616755 /nfs/dbraw/zinc/61/67/55/1190616755.db2.gz RZVWNWZLWGECPN-UHFFFAOYSA-N 2 0 336.455 2.081 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCCOc1ccccc1 ZINC001483637491 1190699926 /nfs/dbraw/zinc/69/99/26/1190699926.db2.gz XSBUEMPFFKZUSI-IEBWSBKVSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001484348184 1191313358 /nfs/dbraw/zinc/31/33/58/1191313358.db2.gz SSOJVPNNXVMLLX-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H]([NH2+]Cc1c(F)cccc1F)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348436 1191313375 /nfs/dbraw/zinc/31/33/75/1191313375.db2.gz UYIBYNYRSATIHP-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001484359607 1191315379 /nfs/dbraw/zinc/31/53/79/1191315379.db2.gz XDOWCNMAALUVRQ-GDBMZVCRSA-N 2 0 348.491 2.219 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001484359608 1191315435 /nfs/dbraw/zinc/31/54/35/1191315435.db2.gz XDOWCNMAALUVRQ-GOEBONIOSA-N 2 0 348.491 2.219 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001484379981 1191323727 /nfs/dbraw/zinc/32/37/27/1191323727.db2.gz FPJTZWQXZQBADF-DOTOQJQBSA-N 2 0 335.467 2.352 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001484535477 1191399002 /nfs/dbraw/zinc/39/90/02/1191399002.db2.gz IAZAQRCFTSULIG-CYBMUJFWSA-N 2 0 336.307 2.475 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001484543628 1191403441 /nfs/dbraw/zinc/40/34/41/1191403441.db2.gz OCQQEXPVUBNHQW-CGGYKVPPSA-N 2 0 327.900 2.299 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001484544704 1191407414 /nfs/dbraw/zinc/40/74/14/1191407414.db2.gz ZQXFNVDGJQQKLO-SFHVURJKSA-N 2 0 344.503 2.142 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484546856 1191408421 /nfs/dbraw/zinc/40/84/21/1191408421.db2.gz KQSWINXLKHLEJA-SJORKVTESA-N 2 0 349.544 2.461 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]C2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC2)O1 ZINC001484638730 1191453812 /nfs/dbraw/zinc/45/38/12/1191453812.db2.gz HGQWIYJRFCISDS-IAGOWNOFSA-N 2 0 349.519 2.058 10 0 EEAERP CCc1nocc1C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663383 1191463190 /nfs/dbraw/zinc/46/31/90/1191463190.db2.gz RWCMPMCUATZXEH-GASCZTMLSA-N 2 0 348.491 2.238 10 0 EEAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001484715195 1191479757 /nfs/dbraw/zinc/47/97/57/1191479757.db2.gz LCMUGYRISVKTGI-QGZVFWFLSA-N 2 0 349.523 2.219 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001484745330 1191496671 /nfs/dbraw/zinc/49/66/71/1191496671.db2.gz BBKAIXVJRYULPA-QGZVFWFLSA-N 2 0 336.480 2.138 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001484890942 1191563632 /nfs/dbraw/zinc/56/36/32/1191563632.db2.gz BFKKKJANUCDDRF-KGLIPLIRSA-N 2 0 347.425 2.251 10 0 EEAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)OC ZINC001484915682 1191568702 /nfs/dbraw/zinc/56/87/02/1191568702.db2.gz CKBXSCXXWBDJQG-IXDOHACOSA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC(C)([NH2+]CC2CCC2)CC1 ZINC001484916838 1191568804 /nfs/dbraw/zinc/56/88/04/1191568804.db2.gz GOIYLNLQOSQEKX-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001484925990 1191573213 /nfs/dbraw/zinc/57/32/13/1191573213.db2.gz DHJZWTRAMQLKIN-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485161273 1191674704 /nfs/dbraw/zinc/67/47/04/1191674704.db2.gz BIZUOXRVQSWTAJ-LSDHHAIUSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)s1 ZINC001485259225 1191714338 /nfs/dbraw/zinc/71/43/38/1191714338.db2.gz LOQKKJBXIILHLF-UHFFFAOYSA-N 2 0 340.537 2.286 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001485308301 1191727129 /nfs/dbraw/zinc/72/71/29/1191727129.db2.gz UMUKHVHRMXGBHI-RZQQEMMASA-N 2 0 343.515 2.452 10 0 EEAERP Cc1cc(C)cc(OCC[NH+](C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001485386089 1191774205 /nfs/dbraw/zinc/77/42/05/1191774205.db2.gz TYBKXHUMHSDQSN-ROUUACIJSA-N 2 0 347.503 2.070 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)sc1C ZINC001486240403 1193767076 /nfs/dbraw/zinc/76/70/76/1193767076.db2.gz LRBDWWNCWWRTSI-CQSZACIVSA-N 2 0 338.521 2.038 10 0 EEAERP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001486244919 1193770826 /nfs/dbraw/zinc/77/08/26/1193770826.db2.gz PKEDVVPYRUQCEV-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C(F)(F)F ZINC001486253585 1193781050 /nfs/dbraw/zinc/78/10/50/1193781050.db2.gz MYYCWQGVYQEJCW-KGLIPLIRSA-N 2 0 347.425 2.251 10 0 EEAERP CN(C)c1ccccc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001486411869 1193920343 /nfs/dbraw/zinc/92/03/43/1193920343.db2.gz VAZTWXMKXUBGNZ-GOSISDBHSA-N 2 0 348.535 2.325 10 0 EEAERP CC(C)OCCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001486511769 1194029021 /nfs/dbraw/zinc/02/90/21/1194029021.db2.gz OAEUXOWCNSGEQH-UHFFFAOYSA-N 2 0 349.519 2.178 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)CCCn1ccnc1 ZINC001410062556 1197531690 /nfs/dbraw/zinc/53/16/90/1197531690.db2.gz VYKVRPKDDGFZOC-QGZVFWFLSA-N 2 0 341.459 2.085 10 0 EEAERP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)c(C)s1 ZINC001410158127 1197574276 /nfs/dbraw/zinc/57/42/76/1197574276.db2.gz MZBBRKYDUIEEDG-NNZMDNLPSA-N 2 0 349.544 2.499 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)cc1 ZINC001410162782 1197576257 /nfs/dbraw/zinc/57/62/57/1197576257.db2.gz WWPDMNIBHACDFR-PKOBYXMFSA-N 2 0 347.503 2.041 10 0 EEAERP Cc1noc(C)c1C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001410259347 1197643749 /nfs/dbraw/zinc/64/37/49/1197643749.db2.gz MBXOUQQZXRUJBS-UHFFFAOYSA-N 2 0 336.480 2.054 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001410306045 1197685968 /nfs/dbraw/zinc/68/59/68/1197685968.db2.gz SPQBYDXHIDLWMC-RBUKOAKNSA-N 2 0 345.487 2.116 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCOCC1 ZINC001410393851 1197794906 /nfs/dbraw/zinc/79/49/06/1197794906.db2.gz ZOVDENJYFWIFRE-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871674155 1197825439 /nfs/dbraw/zinc/82/54/39/1197825439.db2.gz SQZQULAFZCTEDE-GXTWGEPZSA-N 2 0 344.381 2.349 10 0 EEAERP C[NH+](C)CCCNC(=S)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000871678249 1197830835 /nfs/dbraw/zinc/83/08/35/1197830835.db2.gz JMXACIDMMQPHPU-UHFFFAOYSA-N 2 0 326.554 2.153 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)cn2)CC1 ZINC000872020540 1198028185 /nfs/dbraw/zinc/02/81/85/1198028185.db2.gz IUCUOGSDMOJFNW-GOSISDBHSA-N 2 0 344.503 2.415 10 0 EEAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000872153326 1198060162 /nfs/dbraw/zinc/06/01/62/1198060162.db2.gz JAWYLNVCAWVOLI-PKOBYXMFSA-N 2 0 340.475 2.052 10 0 EEAERP CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156632 1198061249 /nfs/dbraw/zinc/06/12/49/1198061249.db2.gz KNJQNEGQNFRNTL-WBVHZDCISA-N 2 0 330.538 2.431 10 0 EEAERP CCOC(=O)C1CCC(O)(C[NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000872228838 1198099092 /nfs/dbraw/zinc/09/90/92/1198099092.db2.gz LVKPZVBIDBNBTF-UHFFFAOYSA-N 2 0 340.508 2.323 10 0 EEAERP Cn1ncc2cc(C[NH2+]Cc3cccc(OCC[NH+](C)C)c3)cnc21 ZINC000865418148 1198207262 /nfs/dbraw/zinc/20/72/62/1198207262.db2.gz XAXWRALYTXQLEL-UHFFFAOYSA-N 2 0 339.443 2.199 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001273383421 1198429810 /nfs/dbraw/zinc/42/98/10/1198429810.db2.gz ZRPLGWGPVAOBHJ-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1nc2sccc2c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866011640 1198454256 /nfs/dbraw/zinc/45/42/56/1198454256.db2.gz IEEHMSGMKFEGAP-ZIAGYGMSSA-N 2 0 347.532 2.429 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cnccc1C)CC2)[NH+](C)C ZINC001410917670 1198580567 /nfs/dbraw/zinc/58/05/67/1198580567.db2.gz WWAVTMDPPWFHFE-CMKODMSKSA-N 2 0 344.503 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cnc(C)s2)[C@H]1C ZINC001411028949 1198708725 /nfs/dbraw/zinc/70/87/25/1198708725.db2.gz CCSXANOJQPFQEA-BBRMVZONSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001411250650 1198972933 /nfs/dbraw/zinc/97/29/33/1198972933.db2.gz UFQMECAASQBPCS-WLYUNCDWSA-N 2 0 331.451 2.343 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000811460997 1200072132 /nfs/dbraw/zinc/07/21/32/1200072132.db2.gz DLVZZLKZDSCXBS-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702325 1201584291 /nfs/dbraw/zinc/58/42/91/1201584291.db2.gz ANRAJCKEYNNASD-UZLBHIALSA-N 2 0 331.504 2.431 10 0 EEAERP O=C(CCc1c[nH]cn1)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274083050 1204362187 /nfs/dbraw/zinc/36/21/87/1204362187.db2.gz XQRDFGLISHFHJQ-KROLTMCQSA-N 2 0 342.418 2.431 10 0 EEAERP Cc1ccc(OCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001274125423 1204389169 /nfs/dbraw/zinc/38/91/69/1204389169.db2.gz PPGGZCJUYKTJAY-PXPVJAHISA-N 2 0 345.487 2.120 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCOC(C)C)CC1 ZINC001274339086 1205002379 /nfs/dbraw/zinc/00/23/79/1205002379.db2.gz CHCPKOQTDLUVRV-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001274411954 1205025661 /nfs/dbraw/zinc/02/56/61/1205025661.db2.gz BUCRIMZYNDTWHE-JTGQJZMRSA-N 2 0 330.476 2.108 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429878 1205033487 /nfs/dbraw/zinc/03/34/87/1205033487.db2.gz HRUPBMQQPURLRP-SCQSPADBSA-N 2 0 346.475 2.070 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274460366 1205046575 /nfs/dbraw/zinc/04/65/75/1205046575.db2.gz RRIALNQSUGCKIW-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001274512378 1205063115 /nfs/dbraw/zinc/06/31/15/1205063115.db2.gz WZFPJHRZMHYABO-INQOVCNISA-N 2 0 343.462 2.416 10 0 EEAERP CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000925046035 1206064755 /nfs/dbraw/zinc/06/47/55/1206064755.db2.gz NNMVFJJAFMIBPK-FDYSRKEFSA-N 2 0 346.519 2.439 10 0 EEAERP C[C@H]1CC2(CC([NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)C2)CO1 ZINC000925154975 1206077183 /nfs/dbraw/zinc/07/71/83/1206077183.db2.gz JFBRGJUVQKGVJW-VIQWUECVSA-N 2 0 335.536 2.484 10 0 EEAERP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925519414 1206122376 /nfs/dbraw/zinc/12/23/76/1206122376.db2.gz CEZDMSNURNWXDT-VKJFTORMSA-N 2 0 342.487 2.321 10 0 EEAERP OC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925543552 1206125746 /nfs/dbraw/zinc/12/57/46/1206125746.db2.gz VSWDHUDOMFYEGZ-HXUWFJFHSA-N 2 0 343.515 2.408 10 0 EEAERP O=C1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CN1Cc1ccccc1 ZINC000925630319 1206137809 /nfs/dbraw/zinc/13/78/09/1206137809.db2.gz RBPNKTGSUFUONX-QZTJIDSGSA-N 2 0 327.472 2.299 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C12CCC2 ZINC000925666449 1206141580 /nfs/dbraw/zinc/14/15/80/1206141580.db2.gz PPRCDNHYFQVNLG-KURKYZTESA-N 2 0 327.472 2.080 10 0 EEAERP CNC(=O)COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925667255 1206141846 /nfs/dbraw/zinc/14/18/46/1206141846.db2.gz BQUNFXFREYLFBV-MOPGFXCFSA-N 2 0 345.487 2.069 10 0 EEAERP CC1(C)[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676770 1206143125 /nfs/dbraw/zinc/14/31/25/1206143125.db2.gz LPAIDFFUIWFFAI-CEXWTWQISA-N 2 0 329.488 2.389 10 0 EEAERP [NH3+]CCC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1 ZINC000925729675 1206147451 /nfs/dbraw/zinc/14/74/51/1206147451.db2.gz KSQLAEUMZDMDJB-NXCDMZCRSA-N 2 0 336.501 2.412 10 0 EEAERP CN1C(=O)C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925779851 1206153447 /nfs/dbraw/zinc/15/34/47/1206153447.db2.gz MZUHNQSPTCLHDD-QBYUYEEZSA-N 2 0 335.398 2.096 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ncc(-c2ccccc2)n1C ZINC000925817325 1206157143 /nfs/dbraw/zinc/15/71/43/1206157143.db2.gz QCMGIHQXTVJNMX-HNNXBMFYSA-N 2 0 327.476 2.161 10 0 EEAERP Cc1cc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nn1C ZINC000925832617 1206158464 /nfs/dbraw/zinc/15/84/64/1206158464.db2.gz GMWUBGFBEZHQAU-MJGOQNOKSA-N 2 0 326.444 2.117 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925849198 1206160055 /nfs/dbraw/zinc/16/00/55/1206160055.db2.gz BRBLQIRRLXWZGI-ZBFHGGJFSA-N 2 0 348.418 2.314 10 0 EEAERP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925850513 1206160572 /nfs/dbraw/zinc/16/05/72/1206160572.db2.gz BQRJELDWEAQUSQ-MAUKXSAKSA-N 2 0 346.471 2.291 10 0 EEAERP CC(C)[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000925920363 1206168674 /nfs/dbraw/zinc/16/86/74/1206168674.db2.gz UQQARHQJZAILSC-QZTJIDSGSA-N 2 0 347.507 2.056 10 0 EEAERP CC(C)Oc1ccc(NC(=O)NCCN2CCC([NH3+])CC2)c(F)c1 ZINC000925995371 1206179576 /nfs/dbraw/zinc/17/95/76/1206179576.db2.gz XVJQOHIELUJXDL-UHFFFAOYSA-N 2 0 338.427 2.158 10 0 EEAERP C[C@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC[C@H]1C[NH3+] ZINC000926033518 1206183862 /nfs/dbraw/zinc/18/38/62/1206183862.db2.gz YNGFXUTUTMWWAV-HOTGVXAUSA-N 2 0 348.491 2.466 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c2ncccc12 ZINC000931442898 1207382208 /nfs/dbraw/zinc/38/22/08/1207382208.db2.gz PKJRVIKHJPBHHA-GOEBONIOSA-N 2 0 339.439 2.405 10 0 EEAERP CN1CCC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000717994394 1211685347 /nfs/dbraw/zinc/68/53/47/1211685347.db2.gz NCWZINMHIQTVNJ-UHFFFAOYSA-N 2 0 331.504 2.087 10 0 EEAERP Cc1cccc(NC(=O)CN2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001413085684 1234002012 /nfs/dbraw/zinc/00/20/12/1234002012.db2.gz GOBVOUWQBLTNOB-UHFFFAOYSA-N 2 0 345.487 2.246 10 0 EEAERP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000901157429 1235292897 /nfs/dbraw/zinc/29/28/97/1235292897.db2.gz NZJAGHATXQLKIP-DKKFBQAASA-N 2 0 331.504 2.479 10 0 EEAERP CN1CC[C@@](O)(C[NH2+][C@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954412 1239182648 /nfs/dbraw/zinc/18/26/48/1239182648.db2.gz VPXOGRBCZXKVFT-WOJBJXKFSA-N 2 0 325.456 2.412 10 0 EEAERP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)c1 ZINC000903083265 1239690383 /nfs/dbraw/zinc/69/03/83/1239690383.db2.gz CQYOADICEBYUIW-QZTJIDSGSA-N 2 0 336.501 2.498 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000903430824 1240453157 /nfs/dbraw/zinc/45/31/57/1240453157.db2.gz CXRDAURXIMVURE-PBHICJAKSA-N 2 0 327.472 2.399 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(OC3CCCC3)CC2)cnn1C ZINC000903889651 1242344077 /nfs/dbraw/zinc/34/40/77/1242344077.db2.gz UVWQEEQIJGNRFZ-MRXNPFEDSA-N 2 0 334.508 2.270 10 0 EEAERP [NH3+]CCN(Cc1nc2c(s1)C[NH2+]CC2)Cc1cccc(Cl)c1 ZINC000903954367 1242690966 /nfs/dbraw/zinc/69/09/66/1242690966.db2.gz RTEKENZWKFRPGJ-UHFFFAOYSA-N 2 0 336.892 2.403 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903981278 1242848491 /nfs/dbraw/zinc/84/84/91/1242848491.db2.gz AUERBWZBZIATAF-CVEARBPZSA-N 2 0 345.409 2.339 10 0 EEAERP C[C@@]1(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)COC(=O)N1 ZINC000903987179 1242884959 /nfs/dbraw/zinc/88/49/59/1242884959.db2.gz YBMILQOPCBHOFP-KRWDZBQOSA-N 2 0 335.473 2.104 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490984050 1258539095 /nfs/dbraw/zinc/53/90/95/1258539095.db2.gz QDCXLFFPUKMLJI-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CCF)CCCCC1 ZINC001491258037 1258856008 /nfs/dbraw/zinc/85/60/08/1258856008.db2.gz HJMZPVXQHCZNSH-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H](NC(=O)Cc1cncn1C)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001491294122 1258918737 /nfs/dbraw/zinc/91/87/37/1258918737.db2.gz BCCWCMMLLJTCSJ-ZBFHGGJFSA-N 2 0 346.500 2.441 10 0 EEAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n(C)n1 ZINC000850510227 1277254352 /nfs/dbraw/zinc/25/43/52/1277254352.db2.gz WEVKVOZEHGJTJO-QAPCUYQASA-N 2 0 328.460 2.146 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1F)C(=O)C[NH+]1CCC(C)CC1 ZINC001273673722 1282952507 /nfs/dbraw/zinc/95/25/07/1282952507.db2.gz JCOFAFJBJOSNRG-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP CC1CC(C[N@H+](CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)C1 ZINC001490372107 1291257013 /nfs/dbraw/zinc/25/70/13/1291257013.db2.gz JRCGOGQFBQIKHU-LADRWXRNSA-N 2 0 333.520 2.345 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490735634 1291643216 /nfs/dbraw/zinc/64/32/16/1291643216.db2.gz NBEHMSZEJKZKLM-MAUKXSAKSA-N 2 0 333.451 2.070 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490735636 1291643787 /nfs/dbraw/zinc/64/37/87/1291643787.db2.gz NBEHMSZEJKZKLM-QAPCUYQASA-N 2 0 333.451 2.070 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3=CCCOC3)C2)ccn1 ZINC000856552371 1293563731 /nfs/dbraw/zinc/56/37/31/1293563731.db2.gz ALHFCRVNQWIYJO-LJQANCHMSA-N 2 0 331.460 2.333 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491160933 1299644374 /nfs/dbraw/zinc/64/43/74/1299644374.db2.gz OIDKKJWWFQYKRQ-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP O=C(NCC1([NH2+]CCCCC(F)(F)F)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001277060320 1301105047 /nfs/dbraw/zinc/10/50/47/1301105047.db2.gz MIYJXWPHRINQQH-AWEZNQCLSA-N 2 0 347.425 2.299 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277149157 1301517666 /nfs/dbraw/zinc/51/76/66/1301517666.db2.gz ZRSCSBDICCBVLU-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP C[NH+]1CCC(OCC(=O)NCC2([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001277209093 1301828429 /nfs/dbraw/zinc/82/84/29/1301828429.db2.gz KZIMILQZWCJXCK-UHFFFAOYSA-N 2 0 349.519 2.226 10 0 EEAERP C[C@@H](CCC[NH2+]CCc1ccns1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277271230 1302114428 /nfs/dbraw/zinc/11/44/28/1302114428.db2.gz CYJSRZVPHRQBEJ-HOCLYGCPSA-N 2 0 338.521 2.044 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355289 1302606976 /nfs/dbraw/zinc/60/69/76/1302606976.db2.gz DQLRKIBTHRHNEO-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001277475023 1303569641 /nfs/dbraw/zinc/56/96/41/1303569641.db2.gz WRKGPGYUNZWQTL-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001277757922 1304352601 /nfs/dbraw/zinc/35/26/01/1304352601.db2.gz YNPZNWFCKAJUHD-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1(C)CCN(Cc2nccs2)CC1 ZINC001278088612 1305909441 /nfs/dbraw/zinc/90/94/41/1305909441.db2.gz WVWXQTPZBSVJKP-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001278283550 1308959943 /nfs/dbraw/zinc/95/99/43/1308959943.db2.gz VYZIKGGUTSWWQE-JBGNVSFKSA-N 2 0 325.884 2.099 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001278422645 1310200309 /nfs/dbraw/zinc/20/03/09/1310200309.db2.gz FGXKWDKWVGUPEN-MAUKXSAKSA-N 2 0 348.491 2.328 10 0 EEAERP CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CCC([NH3+])CC1 ZINC000841727308 1315603979 /nfs/dbraw/zinc/60/39/79/1315603979.db2.gz YQTRNTXZVNHYRV-LXPRWKDFSA-N 2 0 332.492 2.071 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841755184 1315608887 /nfs/dbraw/zinc/60/88/87/1315608887.db2.gz XNRUDBTUFXCNKP-CRAIPNDOSA-N 2 0 336.524 2.328 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001278573397 1317262141 /nfs/dbraw/zinc/26/21/41/1317262141.db2.gz WDOYBXGQLNRMCO-UKRRQHHQSA-N 2 0 337.430 2.353 10 0 EEAERP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001278689495 1317741074 /nfs/dbraw/zinc/74/10/74/1317741074.db2.gz CIYPHGPJEWUUBV-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728910 1317879341 /nfs/dbraw/zinc/87/93/41/1317879341.db2.gz WZMLRMOIARIXKV-QGZVFWFLSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001279039408 1319064019 /nfs/dbraw/zinc/06/40/19/1319064019.db2.gz VOLQYQIAPREBHV-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCc2ccccc2C[NH3+])cc(Cl)n1 ZINC001261491688 1322114558 /nfs/dbraw/zinc/11/45/58/1322114558.db2.gz CRXJVZYEXRSDMO-OAHLLOKOSA-N 2 0 332.835 2.208 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)C12CCC[NH+]1CCC2 ZINC001263801677 1322515492 /nfs/dbraw/zinc/51/54/92/1322515492.db2.gz AVIKQRVBKIHIKQ-INIZCTEOSA-N 2 0 325.472 2.287 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264195289 1322663032 /nfs/dbraw/zinc/66/30/32/1322663032.db2.gz PZVIERRXMQVNSV-IAGOWNOFSA-N 2 0 341.540 2.216 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2cc(F)cc(F)c2)CCC1 ZINC001264994911 1322843215 /nfs/dbraw/zinc/84/32/15/1322843215.db2.gz MSMKWNGAKJUYJY-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC001265073145 1322907871 /nfs/dbraw/zinc/90/78/71/1322907871.db2.gz RPZGFVSYNVBYNS-SFHVURJKSA-N 2 0 347.503 2.227 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1conc1C ZINC001265147884 1322949076 /nfs/dbraw/zinc/94/90/76/1322949076.db2.gz NOSRNMPHXLHFJR-GASCZTMLSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001265494241 1323182530 /nfs/dbraw/zinc/18/25/30/1323182530.db2.gz KUKGGVLMJUWYNF-WDSOQIARSA-N 2 0 329.488 2.198 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001265613425 1323267661 /nfs/dbraw/zinc/26/76/61/1323267661.db2.gz OKXZDPYYJXBKNY-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001266174644 1323742417 /nfs/dbraw/zinc/74/24/17/1323742417.db2.gz PAWLPKGDPXJUAT-HNNXBMFYSA-N 2 0 343.462 2.488 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001279582207 1323946770 /nfs/dbraw/zinc/94/67/70/1323946770.db2.gz MWKLHTJUHPAZJJ-MOPGFXCFSA-N 2 0 349.519 2.178 10 0 EEAERP COCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001280354226 1324168295 /nfs/dbraw/zinc/16/82/95/1324168295.db2.gz LGKCACUCLNTKSI-APWZRJJASA-N 2 0 347.503 2.474 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001280394529 1324197617 /nfs/dbraw/zinc/19/76/17/1324197617.db2.gz PTLBXRIQCDWFJR-UITAMQMPSA-N 2 0 327.900 2.395 10 0 EEAERP Cc1ccc(OCC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)cc1 ZINC001280545128 1324288827 /nfs/dbraw/zinc/28/88/27/1324288827.db2.gz KULYHDSURHJPNT-UHFFFAOYSA-N 2 0 345.487 2.098 10 0 EEAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316624922 1325962146 /nfs/dbraw/zinc/96/21/46/1325962146.db2.gz PINWJMNGAUCYOT-DAYGRLMNSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)C[NH+]1CCCC1 ZINC001283279520 1325986387 /nfs/dbraw/zinc/98/63/87/1325986387.db2.gz XOBCBTFRFWUAHY-GFCCVEGCSA-N 2 0 344.912 2.267 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001283493111 1326097463 /nfs/dbraw/zinc/09/74/63/1326097463.db2.gz MOPROBAOTQTOKZ-WOJBJXKFSA-N 2 0 343.515 2.458 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001283651937 1326183397 /nfs/dbraw/zinc/18/33/97/1326183397.db2.gz IOTIPFMTKTVFOY-MJGOQNOKSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001284631741 1326639863 /nfs/dbraw/zinc/63/98/63/1326639863.db2.gz PCCYGDYFYFCFAU-QGZVFWFLSA-N 2 0 341.540 2.264 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCCF)C1 ZINC001284735987 1326688946 /nfs/dbraw/zinc/68/89/46/1326688946.db2.gz DXYCDZFUXWLCON-STQMWFEESA-N 2 0 341.393 2.055 10 0 EEAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001284813186 1326725917 /nfs/dbraw/zinc/72/59/17/1326725917.db2.gz VDWOPWXXFWGYGI-UHFFFAOYSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1c(F)cccc1Cl ZINC001491640409 1330194149 /nfs/dbraw/zinc/19/41/49/1330194149.db2.gz SMKDPCGOMVNLLN-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491603162 1330200750 /nfs/dbraw/zinc/20/07/50/1330200750.db2.gz RIYXWMTWOJBTRY-WBVHZDCISA-N 2 0 332.492 2.249 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001491654743 1330213832 /nfs/dbraw/zinc/21/38/32/1330213832.db2.gz NREXIJKKPCXKIC-PXNSSMCTSA-N 2 0 329.488 2.384 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001491885709 1330289184 /nfs/dbraw/zinc/28/91/84/1330289184.db2.gz IRQFXQRVNFLXOT-ZWKOTPCHSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001492067499 1330440832 /nfs/dbraw/zinc/44/08/32/1330440832.db2.gz IIJWCMYJHMVHTA-ZDUSSCGKSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001492159294 1331022941 /nfs/dbraw/zinc/02/29/41/1331022941.db2.gz XLCCUKPHKPZTOI-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001316708132 1331771219 /nfs/dbraw/zinc/77/12/19/1331771219.db2.gz CLTCTBGFEZCXRE-HOJAQTOUSA-N 2 0 343.515 2.398 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001316770971 1331884201 /nfs/dbraw/zinc/88/42/01/1331884201.db2.gz IZAPQIYPEXJEKY-IRXDYDNUSA-N 2 0 327.513 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cncc(F)c1 ZINC001316827273 1331917757 /nfs/dbraw/zinc/91/77/57/1331917757.db2.gz PIPBGKMSLCWWKY-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001316991931 1332033665 /nfs/dbraw/zinc/03/36/65/1332033665.db2.gz UZIBGQADBAKHHG-QGZVFWFLSA-N 2 0 333.476 2.118 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001317144299 1332098313 /nfs/dbraw/zinc/09/83/13/1332098313.db2.gz QZUDOZIJPAWTQF-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC[C@H]2CCCO2)CCC1 ZINC001317191041 1332123195 /nfs/dbraw/zinc/12/31/95/1332123195.db2.gz WJYGJZWOSQLVPG-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317196132 1332125671 /nfs/dbraw/zinc/12/56/71/1332125671.db2.gz PJFKNYMEHRTZBO-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1CCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001317421562 1332225361 /nfs/dbraw/zinc/22/53/61/1332225361.db2.gz DEFSNZWGYIEGTD-IRXDYDNUSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@H](C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1)OC ZINC001317434734 1332238730 /nfs/dbraw/zinc/23/87/30/1332238730.db2.gz JLJYZPPLHYRHCQ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317596598 1332317057 /nfs/dbraw/zinc/31/70/57/1332317057.db2.gz VBYMABZDRXQSEJ-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]Cc1cncs1)C(=O)c1ccccc1CC[NH+](C)C ZINC001317614106 1332328136 /nfs/dbraw/zinc/32/81/36/1332328136.db2.gz CBHCSQVXPYHSDZ-UHFFFAOYSA-N 2 0 346.500 2.109 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccn1 ZINC001317693055 1332376174 /nfs/dbraw/zinc/37/61/74/1332376174.db2.gz GUGRQTCZSWENAV-SFHVURJKSA-N 2 0 332.492 2.283 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CCOCC)C1 ZINC001317762872 1332400627 /nfs/dbraw/zinc/40/06/27/1332400627.db2.gz DHIHPJCPMYFVFK-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317837368 1332426111 /nfs/dbraw/zinc/42/61/11/1332426111.db2.gz RCHOUHBNQCJEMI-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001318653559 1332573138 /nfs/dbraw/zinc/57/31/38/1332573138.db2.gz ICWOTYWKOGTXLJ-QGZVFWFLSA-N 2 0 331.451 2.187 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2conc2C)C1 ZINC001318851590 1332611277 /nfs/dbraw/zinc/61/12/77/1332611277.db2.gz TXLYAAJINJGZBY-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001319385290 1332692946 /nfs/dbraw/zinc/69/29/46/1332692946.db2.gz KXBJNNCHYQFGSD-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001319541497 1332718400 /nfs/dbraw/zinc/71/84/00/1332718400.db2.gz UIPIDILPDIOJRA-DLBZAZTESA-N 2 0 327.513 2.112 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1 ZINC001319769104 1332762980 /nfs/dbraw/zinc/76/29/80/1332762980.db2.gz JTGFMRLFRPJQGU-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001320644018 1332927634 /nfs/dbraw/zinc/92/76/34/1332927634.db2.gz JANDYIISYUGHKL-NSHDSACASA-N 2 0 332.901 2.121 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321232913 1333050550 /nfs/dbraw/zinc/05/05/50/1333050550.db2.gz NIOHDDNPBJZRAW-IPLHWJFFSA-N 2 0 335.467 2.482 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322373592 1333255586 /nfs/dbraw/zinc/25/55/86/1333255586.db2.gz YNVARAHIJRHQNJ-RTBURBONSA-N 2 0 347.503 2.273 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2conc2C)C1 ZINC001322656708 1333301744 /nfs/dbraw/zinc/30/17/44/1333301744.db2.gz ASJCOSLGJPBQGV-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCCC(F)(F)F)CC2)C1 ZINC001323540460 1333484706 /nfs/dbraw/zinc/48/47/06/1333484706.db2.gz DFBAIUSQCYGUPP-CYBMUJFWSA-N 2 0 335.414 2.299 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001323705231 1333520217 /nfs/dbraw/zinc/52/02/17/1333520217.db2.gz PFHHERFAHZZHOM-MSOLQXFVSA-N 2 0 339.524 2.207 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001324092123 1333607552 /nfs/dbraw/zinc/60/75/52/1333607552.db2.gz YNPCMXLMQRRZRL-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/c2ccccc2)C1 ZINC001324276533 1333648401 /nfs/dbraw/zinc/64/84/01/1333648401.db2.gz KKYNUEPZMPCYDQ-OIFJWEAHSA-N 2 0 327.472 2.232 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CCCOc2ccccc2)CC1 ZINC001324335596 1333660407 /nfs/dbraw/zinc/66/04/07/1333660407.db2.gz RUQBEXOOQOCVSQ-UHFFFAOYSA-N 2 0 347.503 2.378 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2C1)[NH+](C)C ZINC001325773111 1333958114 /nfs/dbraw/zinc/95/81/14/1333958114.db2.gz UWDCQQJYIFVYDX-ZNMIVQPWSA-N 2 0 349.441 2.449 10 0 EEAERP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001326989673 1334198130 /nfs/dbraw/zinc/19/81/30/1334198130.db2.gz KJPQIMSJYNMOEC-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327308885 1334264294 /nfs/dbraw/zinc/26/42/94/1334264294.db2.gz RKFBTVCUMSQFFR-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)(C)CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001327671085 1334331204 /nfs/dbraw/zinc/33/12/04/1334331204.db2.gz FOCNPMNLOMYGEP-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C)on1 ZINC001327959073 1334370389 /nfs/dbraw/zinc/37/03/89/1334370389.db2.gz PPMYMPCAJLETLC-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP CC1([NH2+]CCCF)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001327996168 1334375818 /nfs/dbraw/zinc/37/58/18/1334375818.db2.gz SQTQRJWSVCULSQ-CVEARBPZSA-N 2 0 325.472 2.334 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1)[NH+](C)C ZINC001329846393 1334726204 /nfs/dbraw/zinc/72/62/04/1334726204.db2.gz RZPSLDXLEHTBTI-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001330680250 1334886246 /nfs/dbraw/zinc/88/62/46/1334886246.db2.gz ARCQCGGLQWJTIT-UAPYVXQJSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001330822615 1334909796 /nfs/dbraw/zinc/90/97/96/1334909796.db2.gz VBSUVSACBBHLCB-GUYCJALGSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001330881769 1334920321 /nfs/dbraw/zinc/92/03/21/1334920321.db2.gz CZTULDHQUINWKQ-HNNXBMFYSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001331533954 1335032787 /nfs/dbraw/zinc/03/27/87/1335032787.db2.gz MONBONYDKIIXKU-IEBWSBKVSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c1 ZINC001331917916 1335673847 /nfs/dbraw/zinc/67/38/47/1335673847.db2.gz JOIBSOYKJRBWJZ-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2ccccn2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331943311 1335683863 /nfs/dbraw/zinc/68/38/63/1335683863.db2.gz HXNATRGANGQTNY-IEBWSBKVSA-N 2 0 344.503 2.427 10 0 EEAERP Cc1ncc(C[N@@H+]2CC[C@@]3(NC(=O)CCCC[NH+](C)C)CCC[C@H]23)o1 ZINC001332119597 1335734715 /nfs/dbraw/zinc/73/47/15/1335734715.db2.gz SROXWTBHQKUJGW-HKUYNNGSSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC[C@H]2CCCCO2)CC1)[NH+](C)C ZINC001333433171 1336045979 /nfs/dbraw/zinc/04/59/79/1336045979.db2.gz KBNHNVJZMKPDBO-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1ncc(CN2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC001333458062 1336051396 /nfs/dbraw/zinc/05/13/96/1336051396.db2.gz MWLARWUDPRGCBF-UHFFFAOYSA-N 2 0 346.475 2.107 10 0 EEAERP Cn1c(Cl)ncc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000848533260 1338715873 /nfs/dbraw/zinc/71/58/73/1338715873.db2.gz IPWULIUBKWVZHE-UHFFFAOYSA-N 2 0 336.867 2.346 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000848557108 1338720884 /nfs/dbraw/zinc/72/08/84/1338720884.db2.gz FDKYFOCJNUSVTL-OKZBNKHCSA-N 2 0 331.460 2.327 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001433694625 1341661527 /nfs/dbraw/zinc/66/15/27/1341661527.db2.gz NJAFHZMDYNZCBS-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2coc(C)n2)C1 ZINC001670218814 1356298151 /nfs/dbraw/zinc/29/81/51/1356298151.db2.gz QOLDBHZVVWZGPX-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC2(C[NH2+]CCCO)CCCCC2)c1 ZINC001506531903 1342244445 /nfs/dbraw/zinc/24/44/45/1342244445.db2.gz QRJWSEHZEAQJCR-UHFFFAOYSA-N 2 0 347.503 2.153 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001672853072 1356599871 /nfs/dbraw/zinc/59/98/71/1356599871.db2.gz QCZVDGYNHCWMHF-KRWDZBQOSA-N 2 0 344.503 2.060 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001566854955 1342641321 /nfs/dbraw/zinc/64/13/21/1342641321.db2.gz UFEUPEMSDYYJJM-FPMFFAJLSA-N 2 0 347.850 2.074 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H]1CCCCO1 ZINC001570543853 1343080339 /nfs/dbraw/zinc/08/03/39/1343080339.db2.gz OGBWDEMEGBCJIH-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CCOCCC[NH2+][C@H](C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001571395034 1343203576 /nfs/dbraw/zinc/20/35/76/1343203576.db2.gz XMPWSOLVSPNGNO-CQSZACIVSA-N 2 0 332.448 2.119 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001571464161 1343213879 /nfs/dbraw/zinc/21/38/79/1343213879.db2.gz IFFOGPABFPIQAU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CCCC[NH+](C)C ZINC001571490280 1343218525 /nfs/dbraw/zinc/21/85/25/1343218525.db2.gz BNNWUWIETNIMNG-UKRRQHHQSA-N 2 0 331.451 2.343 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C(C)(C)C1 ZINC001571564212 1343238567 /nfs/dbraw/zinc/23/85/67/1343238567.db2.gz ZLVJPLKGGCMAGM-AWEZNQCLSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001571693551 1343276045 /nfs/dbraw/zinc/27/60/45/1343276045.db2.gz CMZKYMVNKZVOMF-CQSZACIVSA-N 2 0 348.318 2.270 10 0 EEAERP Cc1cc(C[NH2+]C2CC(N(C)C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001677441268 1357332018 /nfs/dbraw/zinc/33/20/18/1357332018.db2.gz IWSBBLBBWUKDRK-UHFFFAOYSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CCOc2ccccc2)CC1)[NH+](C)C ZINC001677621487 1357375432 /nfs/dbraw/zinc/37/54/32/1357375432.db2.gz RDQSQFNXDJEHTP-IBGZPJMESA-N 2 0 345.487 2.154 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(F)cc1 ZINC001647322663 1353230881 /nfs/dbraw/zinc/23/08/81/1353230881.db2.gz XFTGFODTKDUAPE-YESZJQIVSA-N 2 0 346.450 2.155 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001649443544 1353508622 /nfs/dbraw/zinc/50/86/22/1353508622.db2.gz DVFWPDXXZBTVBF-RXVVDRJESA-N 2 0 343.515 2.364 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001656453993 1354239515 /nfs/dbraw/zinc/23/95/15/1354239515.db2.gz PXPCNRBLOUEHTQ-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCCCCF ZINC001656711280 1354267779 /nfs/dbraw/zinc/26/77/79/1354267779.db2.gz OVHXKBJPMGHFIV-WCXIOVBPSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)Cc2ncc(Cl)s2)C1 ZINC001660304348 1354434920 /nfs/dbraw/zinc/43/49/20/1354434920.db2.gz YKLODTLMBRQQLK-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccn1)[NH+]1CCCCCC1 ZINC001660321084 1354438587 /nfs/dbraw/zinc/43/85/87/1354438587.db2.gz ACQRBOVUCTWAFS-QGZVFWFLSA-N 2 0 332.492 2.284 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCc2ccccc21 ZINC001660368944 1354450234 /nfs/dbraw/zinc/45/02/34/1354450234.db2.gz NVQGZFXWVOSUTO-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nc(C(C)C)oc1C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001660399989 1354457916 /nfs/dbraw/zinc/45/79/16/1354457916.db2.gz CEWWPFJEJHBCBG-UHFFFAOYSA-N 2 0 336.480 2.140 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001660847904 1354550922 /nfs/dbraw/zinc/55/09/22/1354550922.db2.gz QDYSPNTYUGQOTO-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001662545585 1354805285 /nfs/dbraw/zinc/80/52/85/1354805285.db2.gz XCGWNZGYMBFLFK-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662796686 1354848628 /nfs/dbraw/zinc/84/86/28/1354848628.db2.gz DMYWOPSVWISMIY-MSOLQXFVSA-N 2 0 333.476 2.025 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001663587873 1354993940 /nfs/dbraw/zinc/99/39/40/1354993940.db2.gz UTJJMFPSFVLDAE-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001664018608 1355074915 /nfs/dbraw/zinc/07/49/15/1355074915.db2.gz WAONJNVRFBPLTF-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1Cl)C(=O)Cn1ccnc1 ZINC001664408104 1355156966 /nfs/dbraw/zinc/15/69/66/1355156966.db2.gz JVNWHACVMIQVPU-UHFFFAOYSA-N 2 0 341.242 2.438 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nccs2)C1 ZINC001668178782 1355892326 /nfs/dbraw/zinc/89/23/26/1355892326.db2.gz LXMFKDKCXSSSGF-HUUCEWRRSA-N 2 0 338.521 2.250 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001668309577 1355920850 /nfs/dbraw/zinc/92/08/50/1355920850.db2.gz KFQCWKANLRUINB-INIZCTEOSA-N 2 0 333.476 2.084 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccns1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865007 1356027255 /nfs/dbraw/zinc/02/72/55/1356027255.db2.gz OHCMYBJKSXTSFB-REMYHPOOSA-N 2 0 348.516 2.312 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001669882919 1356231554 /nfs/dbraw/zinc/23/15/54/1356231554.db2.gz SJBQVLKGWXCZNO-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001670158203 1356287336 /nfs/dbraw/zinc/28/73/36/1356287336.db2.gz NTQMVOSIXYPIIX-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001671558978 1356362309 /nfs/dbraw/zinc/36/23/09/1356362309.db2.gz LLCOBRCTJIUVEJ-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001672334447 1356503317 /nfs/dbraw/zinc/50/33/17/1356503317.db2.gz OYFBBUVEIZYWBV-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1oncc1C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001672567744 1356556543 /nfs/dbraw/zinc/55/65/43/1356556543.db2.gz MQYDDXAZUOWHHK-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP COCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001674463208 1356838877 /nfs/dbraw/zinc/83/88/77/1356838877.db2.gz HUXUNRXIKKQPQD-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001675552427 1357004093 /nfs/dbraw/zinc/00/40/93/1357004093.db2.gz BFKZVTUZLXCKJT-UQWQIANJSA-N 2 0 333.520 2.369 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001692115380 1404976549 /nfs/dbraw/zinc/97/65/49/1404976549.db2.gz JCJMGWKRLATZOU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001698899130 1405139264 /nfs/dbraw/zinc/13/92/64/1405139264.db2.gz SWXXKEZJZJSNEO-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1[NH2+]CCCF ZINC001698901463 1405140930 /nfs/dbraw/zinc/14/09/30/1405140930.db2.gz WXWWCSVPOCSTJC-HOTGVXAUSA-N 2 0 325.472 2.049 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001698915199 1405156748 /nfs/dbraw/zinc/15/67/48/1405156748.db2.gz WYAOEEUNEFVPBD-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001698952037 1405182779 /nfs/dbraw/zinc/18/27/79/1405182779.db2.gz NQRHCUBIJPPYBY-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001699113043 1405268275 /nfs/dbraw/zinc/26/82/75/1405268275.db2.gz MIZDSMRQRPGLPR-ZDUSSCGKSA-N 2 0 336.505 2.064 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCO1)[NH+]1CCCCC1 ZINC001699257464 1405297861 /nfs/dbraw/zinc/29/78/61/1405297861.db2.gz BTFQVXZULJCHRC-VGOKWCNXSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCCCO1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699261090 1405304010 /nfs/dbraw/zinc/30/40/10/1405304010.db2.gz JDBFIZMUBVEWRK-WWAPKCSDSA-N 2 0 349.519 2.225 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001699262736 1405305675 /nfs/dbraw/zinc/30/56/75/1405305675.db2.gz UZXAVARTAJTZRA-HZQHCPKGSA-N 2 0 341.499 2.407 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CCC[NH2+]CCc1ccc(C)cc1 ZINC001699549241 1405384013 /nfs/dbraw/zinc/38/40/13/1405384013.db2.gz ZCQVNAFSKMHPOH-UHFFFAOYSA-N 2 0 328.460 2.250 10 0 EEAERP Cc1c(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)ccc2c[nH+]cn21 ZINC001699578581 1405403621 /nfs/dbraw/zinc/40/36/21/1405403621.db2.gz GPYRPLKIKIKSFN-AKDFZNLCSA-N 2 0 332.835 2.493 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCc1cccs1)[C@@]12CC[N@H+](C1)CCC2 ZINC001699762111 1405472009 /nfs/dbraw/zinc/47/20/09/1405472009.db2.gz ASAODKORSZGGJY-APWZRJJASA-N 2 0 347.528 2.357 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)C1 ZINC001699843702 1405523210 /nfs/dbraw/zinc/52/32/10/1405523210.db2.gz COTFDGGQIMGSCH-MSOLQXFVSA-N 2 0 345.478 2.387 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925907768 780099657 /nfs/dbraw/zinc/09/96/57/780099657.db2.gz UJLMNQPINIRNMH-QGZVFWFLSA-N 2 0 335.496 2.056 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000819195857 785457315 /nfs/dbraw/zinc/45/73/15/785457315.db2.gz LPBNLHLHPUUJGR-GOSISDBHSA-N 2 0 329.444 2.154 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000585090072 785937426 /nfs/dbraw/zinc/93/74/26/785937426.db2.gz MZGAHJLZMLHFGV-OHDICMOHSA-N 2 0 345.487 2.039 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711282401 788609250 /nfs/dbraw/zinc/60/92/50/788609250.db2.gz NCAGYCBXGWRZKS-QZTJIDSGSA-N 2 0 329.488 2.213 10 0 EEAERP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1OC ZINC000923301793 789337008 /nfs/dbraw/zinc/33/70/08/789337008.db2.gz XUMJZVGVEOIZBT-CVEARBPZSA-N 2 0 332.444 2.219 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923315165 789355467 /nfs/dbraw/zinc/35/54/67/789355467.db2.gz QSMKCGQPIBBDIR-MOPGFXCFSA-N 2 0 330.472 2.089 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000923410586 789516191 /nfs/dbraw/zinc/51/61/91/789516191.db2.gz IZIZXHACKYPMSY-NQBHXWOUSA-N 2 0 333.259 2.260 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000845036206 789537898 /nfs/dbraw/zinc/53/78/98/789537898.db2.gz FCWYFGFJTWFMJW-QGZVFWFLSA-N 2 0 326.529 2.241 10 0 EEAERP Cc1cccc(-c2noc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)n2)c1 ZINC000923448436 789560754 /nfs/dbraw/zinc/56/07/54/789560754.db2.gz BZZFORCOIXVJDF-MRXNPFEDSA-N 2 0 342.443 2.375 10 0 EEAERP Cc1ccc(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923456791 789573620 /nfs/dbraw/zinc/57/36/20/789573620.db2.gz GRSFBGIWMBLDAE-MRXNPFEDSA-N 2 0 331.460 2.072 10 0 EEAERP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450711 789581912 /nfs/dbraw/zinc/58/19/12/789581912.db2.gz WXLNAVCJUBOJBQ-RDJZCZTQSA-N 2 0 341.459 2.158 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)s1 ZINC000923452438 789585381 /nfs/dbraw/zinc/58/53/81/789585381.db2.gz UXCLODPHJRIALX-CQSZACIVSA-N 2 0 338.473 2.173 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC000923453179 789587386 /nfs/dbraw/zinc/58/73/86/789587386.db2.gz LGMZNSLGLOKVSK-ZDUSSCGKSA-N 2 0 338.835 2.399 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923500326 789684165 /nfs/dbraw/zinc/68/41/65/789684165.db2.gz NLQRIANTNFIURL-NVXWUHKLSA-N 2 0 347.507 2.319 10 0 EEAERP OCC1(C(F)(F)F)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000923525987 789718580 /nfs/dbraw/zinc/71/85/80/789718580.db2.gz MJUCIOFHIYXJJG-UHFFFAOYSA-N 2 0 328.378 2.469 10 0 EEAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846227174 790094125 /nfs/dbraw/zinc/09/41/25/790094125.db2.gz IKJXPFWPUIKCCW-FJIDUMEYSA-N 2 0 339.524 2.432 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000914018409 794744266 /nfs/dbraw/zinc/74/42/66/794744266.db2.gz JLRQKORIAKHIME-QFBILLFUSA-N 2 0 344.503 2.351 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1(C)C ZINC000922100759 798921767 /nfs/dbraw/zinc/92/17/67/798921767.db2.gz YRIJENMXPXDXSI-UHFFFAOYSA-N 2 0 325.888 2.056 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000922517359 801207867 /nfs/dbraw/zinc/20/78/67/801207867.db2.gz LCJZFVKITYHLQU-DOTOQJQBSA-N 2 0 335.496 2.102 10 0 EEAERP CN(C)CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000922631283 801548474 /nfs/dbraw/zinc/54/84/74/801548474.db2.gz UTZSLLNRKJIPDH-ZWKOTPCHSA-N 2 0 333.476 2.392 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001436401066 1087748238 /nfs/dbraw/zinc/74/82/38/1087748238.db2.gz FBLJXICGWRFYBH-JCNLHEQBSA-N 2 0 335.467 2.193 10 0 EEAERP C[C@@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccccc1F ZINC001436825274 1088428041 /nfs/dbraw/zinc/42/80/41/1088428041.db2.gz HGTLWOWLPQAUHC-RDTXWAMCSA-N 2 0 345.462 2.467 10 0 EEAERP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001436853799 1088497855 /nfs/dbraw/zinc/49/78/55/1088497855.db2.gz KFJFJHUFUJUOES-MWDXBVQZSA-N 2 0 327.488 2.388 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001436927501 1088592848 /nfs/dbraw/zinc/59/28/48/1088592848.db2.gz RYRHKNCOJXIURT-SHTZXODSSA-N 2 0 344.459 2.297 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001436935698 1088607941 /nfs/dbraw/zinc/60/79/41/1088607941.db2.gz QGLDBURAJYBJMK-CYDGBPFRSA-N 2 0 334.291 2.415 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001436961663 1088652152 /nfs/dbraw/zinc/65/21/52/1088652152.db2.gz WIYBYJBRWRHJQI-IYBDPMFKSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1conc1CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001437181891 1089215187 /nfs/dbraw/zinc/21/51/87/1089215187.db2.gz OETMVJRQZAHOPX-HNNXBMFYSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001437202297 1089266959 /nfs/dbraw/zinc/26/69/59/1089266959.db2.gz GOGRFWKSKSHMLO-MRXNPFEDSA-N 2 0 348.535 2.325 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001437380215 1089628529 /nfs/dbraw/zinc/62/85/29/1089628529.db2.gz FRSMZALCIYCZKA-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001437717949 1090267530 /nfs/dbraw/zinc/26/75/30/1090267530.db2.gz CVVHTWSDUDOFBR-HUUCEWRRSA-N 2 0 343.462 2.202 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001437725943 1090280750 /nfs/dbraw/zinc/28/07/50/1090280750.db2.gz KIQHJNZASUOODK-SJORKVTESA-N 2 0 347.478 2.148 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001437728056 1090284211 /nfs/dbraw/zinc/28/42/11/1090284211.db2.gz OGVBJAXUXGBQMT-WBVHZDCISA-N 2 0 347.478 2.414 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001437867165 1090447203 /nfs/dbraw/zinc/44/72/03/1090447203.db2.gz CHPZDPBNMJMNPA-RTBURBONSA-N 2 0 345.487 2.098 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001437906310 1090487626 /nfs/dbraw/zinc/48/76/26/1090487626.db2.gz KBEZSIKGHTZKAI-IAGOWNOFSA-N 2 0 348.491 2.056 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437976906 1090569092 /nfs/dbraw/zinc/56/90/92/1090569092.db2.gz HBMUCXULEVKGIW-HZPDHXFCSA-N 2 0 325.472 2.143 10 0 EEAERP COC[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001437994150 1090593881 /nfs/dbraw/zinc/59/38/81/1090593881.db2.gz PCWUONGLSKQWPP-FUHWJXTLSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001438163589 1090676711 /nfs/dbraw/zinc/67/67/11/1090676711.db2.gz RKQIONRZOZJORA-UHFFFAOYSA-N 2 0 337.414 2.268 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(C)cc1 ZINC001438308923 1090787293 /nfs/dbraw/zinc/78/72/93/1090787293.db2.gz YYWQZKAETFEKOP-RBUKOAKNSA-N 2 0 329.488 2.321 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(F)c1F ZINC001438550383 1091042466 /nfs/dbraw/zinc/04/24/66/1091042466.db2.gz XZZNRPPJNRVMSQ-KBPBESRZSA-N 2 0 339.430 2.149 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001438614809 1091104154 /nfs/dbraw/zinc/10/41/54/1091104154.db2.gz ZDOGTEQCDMCGMT-HUUCEWRRSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001438760927 1091328085 /nfs/dbraw/zinc/32/80/85/1091328085.db2.gz AXGOROLWRCXGFB-SJLPKXTDSA-N 2 0 332.492 2.057 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001438769212 1091351327 /nfs/dbraw/zinc/35/13/27/1091351327.db2.gz GCZZGOYMBKCZKQ-APWZRJJASA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC(F)(F)F ZINC001445768936 1091626164 /nfs/dbraw/zinc/62/61/64/1091626164.db2.gz XCRGAQPAQPIVLM-KBPBESRZSA-N 2 0 337.430 2.496 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2Cc2nc(C)oc2C)C1 ZINC001438944643 1091630664 /nfs/dbraw/zinc/63/06/64/1091630664.db2.gz CJAHEUYUAWBLQV-SJLPKXTDSA-N 2 0 348.491 2.056 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439150719 1091792989 /nfs/dbraw/zinc/79/29/89/1091792989.db2.gz AROZUMWLLPQLPL-NWDGAFQWSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001439333170 1092020654 /nfs/dbraw/zinc/02/06/54/1092020654.db2.gz MSAGCLSJKMFARQ-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(F)(F)C1)[NH+](CC)CC ZINC001439542514 1092408345 /nfs/dbraw/zinc/40/83/45/1092408345.db2.gz AVKJOIKFKVJRRV-LSDHHAIUSA-N 2 0 331.451 2.343 10 0 EEAERP CCc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001446269511 1092418150 /nfs/dbraw/zinc/41/81/50/1092418150.db2.gz YFGYJOMPVRKILP-GOSISDBHSA-N 2 0 329.488 2.329 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc2cc[nH]c2c1 ZINC001439563456 1092443996 /nfs/dbraw/zinc/44/39/96/1092443996.db2.gz SHLAAXNHMSBXQL-KRWDZBQOSA-N 2 0 328.460 2.200 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)s1 ZINC001439813740 1092785239 /nfs/dbraw/zinc/78/52/39/1092785239.db2.gz IDCVRRNEHRXOAD-INIZCTEOSA-N 2 0 338.521 2.168 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(F)c2)C1 ZINC001439893757 1092952542 /nfs/dbraw/zinc/95/25/42/1092952542.db2.gz YFVGXUVVTQCLJZ-HKUYNNGSSA-N 2 0 333.451 2.248 10 0 EEAERP CCC[NH2+][C@H](C)c1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001440227777 1093310402 /nfs/dbraw/zinc/31/04/02/1093310402.db2.gz YCRWEEOCKZYRDC-MRXNPFEDSA-N 2 0 347.503 2.474 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(C)ccc3C)C[C@H]21 ZINC001448434481 1093445654 /nfs/dbraw/zinc/44/56/54/1093445654.db2.gz FFUURVDLBUQFSY-OWZKRDHZSA-N 2 0 343.515 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCCc3ccccc3)C[C@H]21 ZINC001448446449 1093457779 /nfs/dbraw/zinc/45/77/79/1093457779.db2.gz HZCLZZPPURIPAK-OWZKRDHZSA-N 2 0 343.515 2.253 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001440362894 1093526702 /nfs/dbraw/zinc/52/67/02/1093526702.db2.gz PGVBLSNPTKNBNS-SXOLKLDHSA-N 2 0 344.503 2.247 10 0 EEAERP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001440386027 1093558730 /nfs/dbraw/zinc/55/87/30/1093558730.db2.gz TZMCEPSMQBSLGU-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccccc3)C2)C1 ZINC001440408525 1093600573 /nfs/dbraw/zinc/60/05/73/1093600573.db2.gz GPNXQUXHPAVLHN-SLFFLAALSA-N 2 0 343.515 2.445 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1conc1C ZINC001440447867 1093659350 /nfs/dbraw/zinc/65/93/50/1093659350.db2.gz HCRBULSPGPQENI-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001448604164 1093669585 /nfs/dbraw/zinc/66/95/85/1093669585.db2.gz SDNPMOVFKRGUEC-SFHVURJKSA-N 2 0 335.467 2.493 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC001440483582 1093716474 /nfs/dbraw/zinc/71/64/74/1093716474.db2.gz OKBNZNPNQUMEKS-IAGOWNOFSA-N 2 0 327.488 2.248 10 0 EEAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001440516267 1093765318 /nfs/dbraw/zinc/76/53/18/1093765318.db2.gz AIONXRDPJICCRX-LWUPOJRFSA-N 2 0 325.884 2.148 10 0 EEAERP CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001440531016 1093789921 /nfs/dbraw/zinc/78/99/21/1093789921.db2.gz MEFJTKXCYVPQHC-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001440537763 1093803065 /nfs/dbraw/zinc/80/30/65/1093803065.db2.gz QWQYDRMZRYZSCE-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001448781401 1093860240 /nfs/dbraw/zinc/86/02/40/1093860240.db2.gz YUNDQKLTDWSZNR-AWEZNQCLSA-N 2 0 329.448 2.027 10 0 EEAERP CC[C@@H](C(=O)NC1(CO)CC[NH+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001440696881 1093948154 /nfs/dbraw/zinc/94/81/54/1093948154.db2.gz KHDSABMBSALOLL-INIZCTEOSA-N 2 0 341.540 2.096 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2cccc(N(C)C)c2)CCN1C(=O)CCC[NH+](C)C ZINC001448976624 1093980691 /nfs/dbraw/zinc/98/06/91/1093980691.db2.gz GLBJIQFNNPLDIT-VQIMIIECSA-N 2 0 346.519 2.173 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001440734874 1093983844 /nfs/dbraw/zinc/98/38/44/1093983844.db2.gz LOXJWESUNZVJSF-ZIAGYGMSSA-N 2 0 335.414 2.203 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](C[C@H]1CCCCO1)CC2 ZINC001449006348 1094005688 /nfs/dbraw/zinc/00/56/88/1094005688.db2.gz CTRSGKAYUKNAOP-AOIWGVFYSA-N 2 0 337.508 2.009 10 0 EEAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001449351053 1094310301 /nfs/dbraw/zinc/31/03/01/1094310301.db2.gz HQWOGIGAXOUHOZ-IAGOWNOFSA-N 2 0 344.503 2.140 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1)[NH+](CC)CC ZINC001449395912 1094372608 /nfs/dbraw/zinc/37/26/08/1094372608.db2.gz YYAGFXHLJVPYLZ-DQPZFDDXSA-N 2 0 336.480 2.182 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cnc(C)nc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441112897 1094428825 /nfs/dbraw/zinc/42/88/25/1094428825.db2.gz DATLUKITIZIDSK-ZWKOTPCHSA-N 2 0 347.507 2.034 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC001441227795 1094602084 /nfs/dbraw/zinc/60/20/84/1094602084.db2.gz LWIBMKRQTLZSDG-OAHLLOKOSA-N 2 0 331.451 2.248 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[NH+](CC2CC(F)(F)C2)CC1(C)C)C1CCC1 ZINC001441235986 1094620859 /nfs/dbraw/zinc/62/08/59/1094620859.db2.gz AGLYYYPXNBBPOB-HNNXBMFYSA-N 2 0 343.462 2.343 10 0 EEAERP C[N@H+](C/C=C/Cl)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441303318 1094751468 /nfs/dbraw/zinc/75/14/68/1094751468.db2.gz RPBDBMIIQWBHHX-NKPGBKMFSA-N 2 0 325.884 2.005 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCc3ccsc3)C[C@H]21)[NH+](C)C ZINC001441325793 1094783183 /nfs/dbraw/zinc/78/31/83/1094783183.db2.gz YZHNGCCLQQSVEK-FJIDUMEYSA-N 2 0 349.544 2.315 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C[C@H](F)CC)C[C@]2(C)C1 ZINC001441336677 1094814835 /nfs/dbraw/zinc/81/48/35/1094814835.db2.gz MFMDEKBOOSPINK-NXHRZFHOSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2F)C1)[NH+](C)C ZINC001441369001 1094898299 /nfs/dbraw/zinc/89/82/99/1094898299.db2.gz ZVACRGQBPSBPAK-DCGLDWPTSA-N 2 0 339.430 2.289 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CC2)C1)[NH+](C)C ZINC001441403499 1094974388 /nfs/dbraw/zinc/97/43/88/1094974388.db2.gz NBXUZDYBMBTKMS-BQFCYCMXSA-N 2 0 345.487 2.305 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001441437984 1095052449 /nfs/dbraw/zinc/05/24/49/1095052449.db2.gz IOPBGMIIGJWQSM-WIVYUWBBSA-N 2 0 334.291 2.415 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001441507570 1095195814 /nfs/dbraw/zinc/19/58/14/1095195814.db2.gz IKDUGUMSIUVAIB-QAPCUYQASA-N 2 0 332.492 2.236 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001441578204 1095373465 /nfs/dbraw/zinc/37/34/65/1095373465.db2.gz DLHWXDPQXPMOHC-QZTJIDSGSA-N 2 0 344.503 2.060 10 0 EEAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001441721321 1095699712 /nfs/dbraw/zinc/69/97/12/1095699712.db2.gz ZEYGAMGNIXKWER-GOSISDBHSA-N 2 0 335.467 2.053 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH+](C/C=C/Cl)C[C@H]21)c1ccccc1 ZINC001441728591 1095707616 /nfs/dbraw/zinc/70/76/16/1095707616.db2.gz CSVIGZRRCQLMHJ-PCWZMQJZSA-N 2 0 347.890 2.478 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001441830436 1095885674 /nfs/dbraw/zinc/88/56/74/1095885674.db2.gz GUXINUATMUPWPA-UKRRQHHQSA-N 2 0 339.430 2.384 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC(F)(F)F)CC2 ZINC001441850099 1095935019 /nfs/dbraw/zinc/93/50/19/1095935019.db2.gz ASFNGTQDXURVJE-DZGCQCFKSA-N 2 0 335.414 2.392 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001441874980 1095992906 /nfs/dbraw/zinc/99/29/06/1095992906.db2.gz MUMIYBASXPYCCR-VQIMIIECSA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001442112454 1096342261 /nfs/dbraw/zinc/34/22/61/1096342261.db2.gz WZWAOKHHMMJJBK-FUHWJXTLSA-N 2 0 333.451 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC001442184063 1096453603 /nfs/dbraw/zinc/45/36/03/1096453603.db2.gz WUAFWSKHEJLXKI-AWEZNQCLSA-N 2 0 333.467 2.492 10 0 EEAERP CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1)OC ZINC001442194793 1096471813 /nfs/dbraw/zinc/47/18/13/1096471813.db2.gz MXVNXVPEMUXUBL-QAPCUYQASA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1coc(C2CC2)n1 ZINC001442259649 1096561974 /nfs/dbraw/zinc/56/19/74/1096561974.db2.gz STERJMKELCHEQJ-CZUORRHYSA-N 2 0 334.464 2.021 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(F)cn1 ZINC001443937020 1098456274 /nfs/dbraw/zinc/45/62/74/1098456274.db2.gz WFZBUUNXDMTWBZ-NVXWUHKLSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccn(CC)n1 ZINC001444000338 1098514676 /nfs/dbraw/zinc/51/46/76/1098514676.db2.gz HLBLCIHHTMTEJR-AEFFLSMTSA-N 2 0 349.523 2.150 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001444027992 1098546596 /nfs/dbraw/zinc/54/65/96/1098546596.db2.gz FJIXCWVQNSDXPK-FUHWJXTLSA-N 2 0 349.523 2.099 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C2CC2)no1 ZINC001444034258 1098553474 /nfs/dbraw/zinc/55/34/74/1098553474.db2.gz KHJAVRMLBPMBRH-QAPCUYQASA-N 2 0 348.491 2.411 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)co1 ZINC001444313083 1098872596 /nfs/dbraw/zinc/87/25/96/1098872596.db2.gz YPMLXMNWCNQEAV-CQSZACIVSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001444314171 1098874881 /nfs/dbraw/zinc/87/48/81/1098874881.db2.gz RHHDVBFQUJFSTM-VHDGCEQUSA-N 2 0 331.451 2.104 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2scnc2C)CC[N@@H+]1C ZINC001479771008 1098942914 /nfs/dbraw/zinc/94/29/14/1098942914.db2.gz LDIHTRUXMKXPCM-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001444394707 1098989757 /nfs/dbraw/zinc/98/97/57/1098989757.db2.gz ZMUFULBTEMDINN-STQMWFEESA-N 2 0 327.419 2.319 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479905790 1099293124 /nfs/dbraw/zinc/29/31/24/1099293124.db2.gz BRQYHZROULSQSV-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001444591319 1099416886 /nfs/dbraw/zinc/41/68/86/1099416886.db2.gz CIBQSNZWXJMTEN-UKRRQHHQSA-N 2 0 331.451 2.341 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001480020407 1099498416 /nfs/dbraw/zinc/49/84/16/1099498416.db2.gz HRRFOIFFRMNLNR-UXHICEINSA-N 2 0 341.499 2.321 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1Cl)C1CC1 ZINC001480044088 1099547191 /nfs/dbraw/zinc/54/71/91/1099547191.db2.gz NXSDOSGBQUXKJD-INIZCTEOSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001480060590 1099583793 /nfs/dbraw/zinc/58/37/93/1099583793.db2.gz SOIBZFIXIUZGLG-APWZRJJASA-N 2 0 344.503 2.025 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480087651 1099645448 /nfs/dbraw/zinc/64/54/48/1099645448.db2.gz POALAGRFUGTCDR-HXUWFJFHSA-N 2 0 343.515 2.495 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001480122095 1099686154 /nfs/dbraw/zinc/68/61/54/1099686154.db2.gz LVEQCYDCFKTNJO-IBGZPJMESA-N 2 0 331.504 2.458 10 0 EEAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480149328 1099717561 /nfs/dbraw/zinc/71/75/61/1099717561.db2.gz WVCZRVZNAGHQKM-RBSFLKMASA-N 2 0 327.432 2.164 10 0 EEAERP Cn1cncc1CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001480169875 1099746964 /nfs/dbraw/zinc/74/69/64/1099746964.db2.gz LQFBKBOWZZTNNO-QAQDUYKDSA-N 2 0 330.476 2.480 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480174051 1099753539 /nfs/dbraw/zinc/75/35/39/1099753539.db2.gz QIQOQXYDADWEEX-KZNAEPCWSA-N 2 0 339.524 2.159 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480297359 1100012491 /nfs/dbraw/zinc/01/24/91/1100012491.db2.gz IQANMRXEDHUZIA-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(NC[C@H]1CCCC[N@H+]1CCCCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001480315675 1100047200 /nfs/dbraw/zinc/04/72/00/1100047200.db2.gz ILVBAKOXGLHUFX-MSOLQXFVSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1N(C)C ZINC001444940696 1100053849 /nfs/dbraw/zinc/05/38/49/1100053849.db2.gz UIGKRQAHLBTKID-SFHVURJKSA-N 2 0 346.519 2.079 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001444984882 1100112156 /nfs/dbraw/zinc/11/21/56/1100112156.db2.gz BTYYHHQGTSXGQZ-ZWKOTPCHSA-N 2 0 349.523 2.085 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001480463267 1100267474 /nfs/dbraw/zinc/26/74/74/1100267474.db2.gz SZGDZULQRGDRKB-GZBFAFLISA-N 2 0 331.451 2.246 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]Cc1cncs1 ZINC001480510286 1100339086 /nfs/dbraw/zinc/33/90/86/1100339086.db2.gz VSWVLBOKMBKSRK-AWEZNQCLSA-N 2 0 338.521 2.250 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001445361598 1100598180 /nfs/dbraw/zinc/59/81/80/1100598180.db2.gz RELGYOSNMKKRQY-AEFFLSMTSA-N 2 0 347.503 2.471 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496314550 1100907469 /nfs/dbraw/zinc/90/74/69/1100907469.db2.gz OUYMUFBBTAUUPV-QZTJIDSGSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccccn1 ZINC001496366983 1100959529 /nfs/dbraw/zinc/95/95/29/1100959529.db2.gz GKRGVFXVSAXDMY-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3F)C2)C1 ZINC001446545183 1101010152 /nfs/dbraw/zinc/01/01/52/1101010152.db2.gz CXFCQTGDXVNYSI-HNAYVOBHSA-N 2 0 333.451 2.248 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001446550063 1101018305 /nfs/dbraw/zinc/01/83/05/1101018305.db2.gz GGDAZHVMWXJJEB-FQEVSTJZSA-N 2 0 331.504 2.458 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001496430410 1101021637 /nfs/dbraw/zinc/02/16/37/1101021637.db2.gz SWNCSXWPMXEMKK-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP CCCC[NH2+]CCC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001495432124 1101150235 /nfs/dbraw/zinc/15/02/35/1101150235.db2.gz DKOBPMMELACOAZ-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001495473299 1101184414 /nfs/dbraw/zinc/18/44/14/1101184414.db2.gz FRCLARBDLPQLRX-QAQDUYKDSA-N 2 0 337.508 2.080 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2csc(C)n2)CC[N@@H+]1C ZINC001495668979 1101411100 /nfs/dbraw/zinc/41/11/00/1101411100.db2.gz POJPINHHGJQECQ-UHOFOFEASA-N 2 0 338.521 2.024 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001495683862 1101432975 /nfs/dbraw/zinc/43/29/75/1101432975.db2.gz SKXIPSHBEDLBDN-DZGCQCFKSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001495938797 1101793717 /nfs/dbraw/zinc/79/37/17/1101793717.db2.gz LMMSRPYXJMDHAM-HOCLYGCPSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001497298280 1102274014 /nfs/dbraw/zinc/27/40/14/1102274014.db2.gz GLQQHCCPXLXRIE-KRWDZBQOSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001497325180 1102327611 /nfs/dbraw/zinc/32/76/11/1102327611.db2.gz YJUJJCVUSZCADM-LSDHHAIUSA-N 2 0 331.451 2.392 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)sn1 ZINC001447301449 1102405193 /nfs/dbraw/zinc/40/51/93/1102405193.db2.gz RNSVLYPWDFSAHC-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001447313533 1102431446 /nfs/dbraw/zinc/43/14/46/1102431446.db2.gz XWSFSPFAASBYAN-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497453455 1102512484 /nfs/dbraw/zinc/51/24/84/1102512484.db2.gz CYRGTPQQQMQGNP-OAHLLOKOSA-N 2 0 335.467 2.414 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001447370564 1102542143 /nfs/dbraw/zinc/54/21/43/1102542143.db2.gz JXDVTCXGCVKTOQ-KRWDZBQOSA-N 2 0 335.467 2.448 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001497731166 1102980976 /nfs/dbraw/zinc/98/09/76/1102980976.db2.gz NJJFHSGQYUSZAR-VZSQWMKGSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1ccc(CC[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001494119958 1103550691 /nfs/dbraw/zinc/55/06/91/1103550691.db2.gz NSNQNLLCDQGMSK-PMACEKPBSA-N 2 0 343.515 2.412 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001494488250 1104072303 /nfs/dbraw/zinc/07/23/03/1104072303.db2.gz QNDBVXISEPPSGN-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cc2ccccc2o1 ZINC001448148684 1104113638 /nfs/dbraw/zinc/11/36/38/1104113638.db2.gz RAWWHZGLUPCXBE-HNNXBMFYSA-N 2 0 329.444 2.465 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001494615580 1104199678 /nfs/dbraw/zinc/19/96/78/1104199678.db2.gz UPEDQMCPBZELSJ-QGZVFWFLSA-N 2 0 341.499 2.065 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001448221460 1104204926 /nfs/dbraw/zinc/20/49/26/1104204926.db2.gz MFLBBKSAJHBNCP-KRWDZBQOSA-N 2 0 348.491 2.294 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1ncccc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001448279415 1104308235 /nfs/dbraw/zinc/30/82/35/1104308235.db2.gz WCXNCWQDNDTKNK-KZNAEPCWSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001494981337 1104624352 /nfs/dbraw/zinc/62/43/52/1104624352.db2.gz OBECTMZYSFNOKI-QWHCGFSZSA-N 2 0 334.291 2.132 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cc(C)ncn1 ZINC001495069396 1104709336 /nfs/dbraw/zinc/70/93/36/1104709336.db2.gz WRGKSSKPCNQTPI-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001480597685 1106737783 /nfs/dbraw/zinc/73/77/83/1106737783.db2.gz SACVYOWXROUWLY-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001480646424 1106812090 /nfs/dbraw/zinc/81/20/90/1106812090.db2.gz RWQMCUBGTWXQDF-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001498042479 1106823064 /nfs/dbraw/zinc/82/30/64/1106823064.db2.gz QDGQKDRVEHXGOS-HKUYNNGSSA-N 2 0 347.503 2.341 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001480653136 1106823495 /nfs/dbraw/zinc/82/34/95/1106823495.db2.gz KTXYBXXXSDRINF-INIZCTEOSA-N 2 0 341.459 2.365 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498044391 1106828932 /nfs/dbraw/zinc/82/89/32/1106828932.db2.gz VMMONRUVZZHJNE-IRXDYDNUSA-N 2 0 339.524 2.304 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001498055655 1106852646 /nfs/dbraw/zinc/85/26/46/1106852646.db2.gz FHGRJBDLXHSEBH-MPGHIAIKSA-N 2 0 335.492 2.437 10 0 EEAERP C[C@@H](C[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060374 1106860657 /nfs/dbraw/zinc/86/06/57/1106860657.db2.gz PXQWMYXTXNEJLJ-DZGCQCFKSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCCCCF)C2)C1 ZINC001480735794 1107008183 /nfs/dbraw/zinc/00/81/83/1107008183.db2.gz JXBKTOPRVSFYJM-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2conc2C)C1 ZINC001480786306 1107115500 /nfs/dbraw/zinc/11/55/00/1107115500.db2.gz MPPHBYFFBXDYEQ-GOEBONIOSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001480803067 1107144209 /nfs/dbraw/zinc/14/42/09/1107144209.db2.gz IHSYZBKCMWMAGM-OCCSQVGLSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001480833336 1107231487 /nfs/dbraw/zinc/23/14/87/1107231487.db2.gz RNQRQHSFLSXGRL-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001498455703 1107562488 /nfs/dbraw/zinc/56/24/88/1107562488.db2.gz JQPDQTAJUNGVOC-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCF)[NH+]1CCCCC1 ZINC001493163446 1107623479 /nfs/dbraw/zinc/62/34/79/1107623479.db2.gz VVTLGNCMAYRTIT-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001493222919 1107710508 /nfs/dbraw/zinc/71/05/08/1107710508.db2.gz KRELJUQAOGKTBS-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001498557095 1107715373 /nfs/dbraw/zinc/71/53/73/1107715373.db2.gz YOEIMHJODKOGFK-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001498567947 1107735558 /nfs/dbraw/zinc/73/55/58/1107735558.db2.gz HJZRPGCPALHEOB-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498620331 1107824704 /nfs/dbraw/zinc/82/47/04/1107824704.db2.gz CPGDGOMYAKHRCL-HNNXBMFYSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498642320 1107875453 /nfs/dbraw/zinc/87/54/53/1107875453.db2.gz XWTZYPJPZULFPF-QGZVFWFLSA-N 2 0 349.523 2.052 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001498656387 1107906697 /nfs/dbraw/zinc/90/66/97/1107906697.db2.gz ZPIFWKHOSCHCBK-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](CC2CC3(CCC3)C2)C2CC2)C1 ZINC001493412765 1108106915 /nfs/dbraw/zinc/10/69/15/1108106915.db2.gz AZALVMSYMDQJAU-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP CN(CC[NH2+]CCC1CCOCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001493545587 1108294323 /nfs/dbraw/zinc/29/43/23/1108294323.db2.gz OZLRRLZNYFTKAS-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001499066015 1108529435 /nfs/dbraw/zinc/52/94/35/1108529435.db2.gz AVQCMTHRBMBZLF-YLJYHZDGSA-N 2 0 343.515 2.324 10 0 EEAERP Cc1nnc(N2CC[NH+](C(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001460430952 1110281365 /nfs/dbraw/zinc/28/13/65/1110281365.db2.gz QMOFVAVHBPJNCE-UHFFFAOYSA-N 2 0 348.539 2.381 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC([NH+]2CCCC2)C1 ZINC001469986330 1110499675 /nfs/dbraw/zinc/49/96/75/1110499675.db2.gz NLKCKTXOCXCIKK-LJQANCHMSA-N 2 0 327.472 2.348 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1 ZINC001499461716 1112297535 /nfs/dbraw/zinc/29/75/35/1112297535.db2.gz NUGJXRAFZWKQTH-STQMWFEESA-N 2 0 329.435 2.143 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001499620539 1112417125 /nfs/dbraw/zinc/41/71/25/1112417125.db2.gz XNZXHTIYOWUOFS-LJQANCHMSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)c(C)o1 ZINC001499858065 1112516863 /nfs/dbraw/zinc/51/68/63/1112516863.db2.gz QUXKANVVWDIQCI-CZUORRHYSA-N 2 0 336.480 2.101 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001499908153 1112536422 /nfs/dbraw/zinc/53/64/22/1112536422.db2.gz BYQZUHKYCKKTTP-AUPUMLSVSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1 ZINC001499951004 1112552995 /nfs/dbraw/zinc/55/29/95/1112552995.db2.gz TZIYHKPXRVBTSL-SFHVURJKSA-N 2 0 345.487 2.050 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CCCC1 ZINC001500074374 1112604439 /nfs/dbraw/zinc/60/44/39/1112604439.db2.gz BSDXNKKWKAXEQL-CVEARBPZSA-N 2 0 343.462 2.391 10 0 EEAERP COCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500162814 1112648080 /nfs/dbraw/zinc/64/80/80/1112648080.db2.gz RUBKDVNHFFCCKY-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1C[NH+](CC2CC2)CCC1(F)F)CC(C)(C)C ZINC001500617093 1112979858 /nfs/dbraw/zinc/97/98/58/1112979858.db2.gz PUGYUGOYYBUIEJ-HNNXBMFYSA-N 2 0 345.478 2.448 10 0 EEAERP CC(C)(C)CCC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001501237908 1113256841 /nfs/dbraw/zinc/25/68/41/1113256841.db2.gz FBEAKRQVMBOJHU-CALCHBBNSA-N 2 0 333.520 2.299 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1 ZINC001501545069 1113377486 /nfs/dbraw/zinc/37/74/86/1113377486.db2.gz WZIJJMBHQGJCME-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP CCOCC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001501744466 1113459954 /nfs/dbraw/zinc/45/99/54/1113459954.db2.gz CWYIDBBDFYBRQR-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001502805463 1113805861 /nfs/dbraw/zinc/80/58/61/1113805861.db2.gz HLCMPKPQMLUVPB-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@@H+](Cc1cccnc1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001505398299 1113935848 /nfs/dbraw/zinc/93/58/48/1113935848.db2.gz DCESLIOJJIFJJA-UHFFFAOYSA-N 2 0 332.492 2.094 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](Cc3ccon3)C2)CC1 ZINC001505476329 1114014241 /nfs/dbraw/zinc/01/42/41/1114014241.db2.gz WSHCBNWLVFUDTB-KRWDZBQOSA-N 2 0 348.491 2.077 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)on1 ZINC001505605990 1114080960 /nfs/dbraw/zinc/08/09/60/1114080960.db2.gz MFABDBQTOMSDRT-CABCVRRESA-N 2 0 336.480 2.230 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)on1 ZINC001505760049 1114174139 /nfs/dbraw/zinc/17/41/39/1114174139.db2.gz FSVFDLBUISOJLA-LSDHHAIUSA-N 2 0 344.459 2.341 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001505818304 1114212316 /nfs/dbraw/zinc/21/23/16/1114212316.db2.gz RNAZPPOMIYXJNP-IRXDYDNUSA-N 2 0 348.491 2.266 10 0 EEAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)CC1CCC1 ZINC001506001788 1114334564 /nfs/dbraw/zinc/33/45/64/1114334564.db2.gz IGMYEBYKUQUDHF-KDOFPFPSSA-N 2 0 327.488 2.436 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2cncc(C)c2)CC1(C)C ZINC001506749471 1114862786 /nfs/dbraw/zinc/86/27/86/1114862786.db2.gz FLJHTXBRDGFWBX-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3conc3C)C[C@H]2C1 ZINC001506852980 1114915949 /nfs/dbraw/zinc/91/59/49/1114915949.db2.gz AADDVAXSUSDGGQ-JFIYKMOQSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2coc(C)n2)CC[N@@H+]1C ZINC001506920548 1114973888 /nfs/dbraw/zinc/97/38/88/1114973888.db2.gz ADQJNXGDPGFZQS-RRQGHBQHSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](F)C[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001506930503 1114981831 /nfs/dbraw/zinc/98/18/31/1114981831.db2.gz WMLDDVPSWPUDMV-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC001507024919 1115062697 /nfs/dbraw/zinc/06/26/97/1115062697.db2.gz WJGUNGIFAYOVBH-ZVZYQTTQSA-N 2 0 348.491 2.040 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc2cccnc21 ZINC001507062648 1115089076 /nfs/dbraw/zinc/08/90/76/1115089076.db2.gz MYAMIZPKUYDGEG-YJBOKZPZSA-N 2 0 340.471 2.266 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1Cl ZINC001507117484 1115117105 /nfs/dbraw/zinc/11/71/05/1115117105.db2.gz HRMJJZFOEOYDSZ-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1N(Cc1cncc(F)c1)CC2 ZINC001507350765 1115213387 /nfs/dbraw/zinc/21/33/87/1115213387.db2.gz BRCWISYWEAYCNP-PKOBYXMFSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]32)co1 ZINC001507361679 1115222219 /nfs/dbraw/zinc/22/22/19/1115222219.db2.gz NHIJUOVUSSZUKD-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001507380489 1115239147 /nfs/dbraw/zinc/23/91/47/1115239147.db2.gz FRWXUOCBJVDPJX-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001508147396 1115427888 /nfs/dbraw/zinc/42/78/88/1115427888.db2.gz MPYKUAULQOZWPB-IPJUCJBFSA-N 2 0 347.478 2.289 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCC(F)(F)F)CCCC1 ZINC001568003946 1124226096 /nfs/dbraw/zinc/22/60/96/1124226096.db2.gz IKNTVTLMVRVYEP-ZDUSSCGKSA-N 2 0 335.414 2.442 10 0 EEAERP CC(C)OCC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001568120060 1124313440 /nfs/dbraw/zinc/31/34/40/1124313440.db2.gz MVSOFGUHHJQAFH-UHFFFAOYSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001568409563 1124479095 /nfs/dbraw/zinc/47/90/95/1124479095.db2.gz NDQDOLWMLFXOHU-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001568546936 1124605618 /nfs/dbraw/zinc/60/56/18/1124605618.db2.gz ZUVCLXWKKDRWHY-PLHDSQEVSA-N 2 0 327.900 2.489 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568710353 1124727730 /nfs/dbraw/zinc/72/77/30/1124727730.db2.gz LFMZBMATACXZSF-GOEBONIOSA-N 2 0 337.895 2.319 10 0 EEAERP CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001568791923 1124805099 /nfs/dbraw/zinc/80/50/99/1124805099.db2.gz YVBAWTRJEIDDJK-UHFFFAOYSA-N 2 0 343.462 2.346 10 0 EEAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568923456 1124952289 /nfs/dbraw/zinc/95/22/89/1124952289.db2.gz RAUTYSHOPZGHCS-BSHYLNQHSA-N 2 0 347.478 2.342 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568928285 1124959716 /nfs/dbraw/zinc/95/97/16/1124959716.db2.gz KHSSNNMVWZCQRG-WLMCBFPDSA-N 2 0 348.491 2.318 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)CC[NH+](C)C ZINC001569236083 1125185037 /nfs/dbraw/zinc/18/50/37/1125185037.db2.gz LHXHCSFRTACRPD-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccs1 ZINC000173928864 231073827 /nfs/dbraw/zinc/07/38/27/231073827.db2.gz PMIMEJDMDABPIJ-HUUCEWRRSA-N 2 0 334.489 2.007 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)C1CC[NH+](C)CC1 ZINC000090938875 539378037 /nfs/dbraw/zinc/37/80/37/539378037.db2.gz WZLXRPNUJYFVRV-LSDHHAIUSA-N 2 0 328.460 2.105 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000339072643 539817924 /nfs/dbraw/zinc/81/79/24/539817924.db2.gz YHVNSDKFYXQYKR-OALUTQOASA-N 3 0 334.552 2.153 10 0 EEAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000036170785 213073680 /nfs/dbraw/zinc/07/36/80/213073680.db2.gz VBXZOWMXSWBPPE-HNNXBMFYSA-N 2 0 326.282 2.475 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)CC[NH2+]CC1 ZINC000423080409 240355448 /nfs/dbraw/zinc/35/54/48/240355448.db2.gz SKJXPDZWFLUFDB-YJBOKZPZSA-N 2 0 340.508 2.229 10 0 EEAERP COc1cc(C[C@@H](C)[NH3+])cc(Br)c1OCC[NH+](C)C ZINC000037724887 213163151 /nfs/dbraw/zinc/16/31/51/213163151.db2.gz JURKWOBUYMALTO-SNVBAGLBSA-N 2 0 331.254 2.288 10 0 EEAERP Cc1cc[nH+]c(NCCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072425623 216216121 /nfs/dbraw/zinc/21/61/21/216216121.db2.gz WPJRSESHCFUVSV-UHFFFAOYSA-N 2 0 337.431 2.055 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415203188 238868764 /nfs/dbraw/zinc/86/87/64/238868764.db2.gz KLTVYIBLQABJEL-GOEBONIOSA-N 2 0 334.464 2.055 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCN(C)C2CCCCC2)CC[NH2+]CC1 ZINC000422709887 240189825 /nfs/dbraw/zinc/18/98/25/240189825.db2.gz ZVYQEMXMCZSDCG-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422940930 240301297 /nfs/dbraw/zinc/30/12/97/240301297.db2.gz NVMBUYNWOSCALF-QFBILLFUSA-N 2 0 329.488 2.340 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[NH+](CC)CC ZINC000427148018 241384194 /nfs/dbraw/zinc/38/41/94/241384194.db2.gz RXBFRIRIXJPBAU-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@]1(c2ccccc2)CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000446715478 242215293 /nfs/dbraw/zinc/21/52/93/242215293.db2.gz CHRMOKCFNPQXHQ-OAQYLSRUSA-N 2 0 341.499 2.393 10 0 EEAERP C[NH+](C)C1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCOCC1 ZINC000265047458 247160076 /nfs/dbraw/zinc/16/00/76/247160076.db2.gz SDSAILYPRXNGEL-UHFFFAOYSA-N 2 0 345.487 2.123 10 0 EEAERP O=C1c2ccccc2C(=O)N1CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000268792158 252243763 /nfs/dbraw/zinc/24/37/63/252243763.db2.gz CJJWETZBPYXYPJ-UHFFFAOYSA-N 2 0 341.455 2.279 10 0 EEAERP CCC[N@H+](CC(=O)NC)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000092381684 159219803 /nfs/dbraw/zinc/21/98/03/159219803.db2.gz AVFUKQQVOXZOQU-UHFFFAOYSA-N 2 0 346.519 2.177 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185168669 160029002 /nfs/dbraw/zinc/02/90/02/160029002.db2.gz FPJFBCJUPLHZDH-DLBZAZTESA-N 2 0 336.524 2.377 10 0 EEAERP CCC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000245900102 160256573 /nfs/dbraw/zinc/25/65/73/160256573.db2.gz TXJUCFVOKNXBNW-BPQIPLTHSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247333655 160320866 /nfs/dbraw/zinc/32/08/66/160320866.db2.gz NDDDBMJHQKTUAW-OOKSDGMUSA-N 2 0 336.524 2.279 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000247479827 160325867 /nfs/dbraw/zinc/32/58/67/160325867.db2.gz VZOUQXSKXAHNEH-KBAYOESNSA-N 2 0 332.492 2.317 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](O)[C@H](CC)C2)CC1 ZINC000355197118 163108235 /nfs/dbraw/zinc/10/82/35/163108235.db2.gz LABRFKUIAXQLTD-XLIONFOSSA-N 2 0 331.504 2.421 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)C1 ZINC000355349883 163155970 /nfs/dbraw/zinc/15/59/70/163155970.db2.gz BJAMNPRGXWQAMR-GJZGRUSLSA-N 2 0 332.492 2.486 10 0 EEAERP COC(=O)[C@H](CC(C)C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000375722203 167179337 /nfs/dbraw/zinc/17/93/37/167179337.db2.gz IFXYLPMHVBNLEQ-KRWDZBQOSA-N 2 0 326.481 2.008 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000280067629 269325839 /nfs/dbraw/zinc/32/58/39/269325839.db2.gz UXVQPWXEIHTHFQ-KGLIPLIRSA-N 2 0 326.510 2.380 10 0 EEAERP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288233130 275037418 /nfs/dbraw/zinc/03/74/18/275037418.db2.gz SRBOGOPDTNIZIY-UHOSZYNNSA-N 2 0 342.487 2.334 10 0 EEAERP C[NH+]1CCC(CC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000291433697 275305043 /nfs/dbraw/zinc/30/50/43/275305043.db2.gz HYUMRZAEIFEEGN-UHFFFAOYSA-N 2 0 344.503 2.499 10 0 EEAERP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000292114091 275378277 /nfs/dbraw/zinc/37/82/77/275378277.db2.gz KDKCAPNWJVBYCO-LPHOPBHVSA-N 2 0 329.488 2.498 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000267207520 276221669 /nfs/dbraw/zinc/22/16/69/276221669.db2.gz GWKDRMBOGDJHGP-NLWGTHIKSA-N 2 0 331.504 2.380 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176018773 288301411 /nfs/dbraw/zinc/30/14/11/288301411.db2.gz GXENNUFJCMDAEM-CRAIPNDOSA-N 2 0 334.508 2.272 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000170863109 289382856 /nfs/dbraw/zinc/38/28/56/289382856.db2.gz WUXCPMNVXACLIK-LSDHHAIUSA-N 2 0 336.505 2.231 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@@H]2CCC[C@@H]21 ZINC000453240778 290214589 /nfs/dbraw/zinc/21/45/89/290214589.db2.gz SKMRWRXCLMYGHJ-YOTSKQKMSA-N 2 0 328.522 2.052 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000367613027 290220492 /nfs/dbraw/zinc/22/04/92/290220492.db2.gz DZHHHAOGRKDIQY-OKZBNKHCSA-N 2 0 336.501 2.194 10 0 EEAERP O=C(NCCCCC[NH+]1CCCC1)NCc1ccc2c[nH+]cn2c1 ZINC000297634490 294301672 /nfs/dbraw/zinc/30/16/72/294301672.db2.gz YPLPKIQKXCYJHG-UHFFFAOYSA-N 2 0 329.448 2.400 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000333421535 312144955 /nfs/dbraw/zinc/14/49/55/312144955.db2.gz SPBJUTQKALINPU-RMPXNZIMSA-N 2 0 342.487 2.313 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333670353 312180564 /nfs/dbraw/zinc/18/05/64/312180564.db2.gz YEXYCZMPOXTWGC-OZJOMTTQSA-N 2 0 348.535 2.168 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000343150601 312265703 /nfs/dbraw/zinc/26/57/03/312265703.db2.gz LFBDJQDEIMYOAO-PKOBYXMFSA-N 2 0 347.503 2.143 10 0 EEAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397569851 312446810 /nfs/dbraw/zinc/44/68/10/312446810.db2.gz XVBPIOYMBJRFPP-RTBURBONSA-N 2 0 332.488 2.418 10 0 EEAERP O=C(NCCNc1cc[nH+]cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411536058 312546805 /nfs/dbraw/zinc/54/68/05/312546805.db2.gz SKQYVSLPAQTMOU-UHFFFAOYSA-N 2 0 338.455 2.331 10 0 EEAERP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000414878954 313106017 /nfs/dbraw/zinc/10/60/17/313106017.db2.gz OBSUVHBNWMYXQG-CQSZACIVSA-N 2 0 346.475 2.026 10 0 EEAERP CCc1cccc(F)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414979153 313119553 /nfs/dbraw/zinc/11/95/53/313119553.db2.gz VCVFAYXBZMMHTK-HNNXBMFYSA-N 2 0 333.373 2.314 10 0 EEAERP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416893174 313351675 /nfs/dbraw/zinc/35/16/75/313351675.db2.gz BQJKIFUEWBQFQX-MRXNPFEDSA-N 2 0 332.492 2.327 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000416985223 313383492 /nfs/dbraw/zinc/38/34/92/313383492.db2.gz PPUPIGSZDPGXQL-YJBOKZPZSA-N 2 0 332.492 2.326 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCC(C)CC1 ZINC000417012604 313394718 /nfs/dbraw/zinc/39/47/18/313394718.db2.gz XKVHCMIIQKGERC-FGTMMUONSA-N 2 0 336.524 2.279 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418499675 313830448 /nfs/dbraw/zinc/83/04/48/313830448.db2.gz MAZNUNJSHJKARS-BVGQSLNGSA-N 2 0 326.444 2.137 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440335397 315124089 /nfs/dbraw/zinc/12/40/89/315124089.db2.gz FHVWUQQTDPRJMQ-OAHLLOKOSA-N 2 0 345.516 2.321 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)CN1CC[NH+](C)CC1 ZINC000440341995 315124859 /nfs/dbraw/zinc/12/48/59/315124859.db2.gz NQFXBUFMYYAPPA-HNNXBMFYSA-N 2 0 345.516 2.178 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527798920 317265693 /nfs/dbraw/zinc/26/56/93/317265693.db2.gz JDGCRNCTOQHESV-FUHWJXTLSA-N 2 0 336.524 2.425 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1)CC1CC1 ZINC000528434004 317385718 /nfs/dbraw/zinc/38/57/18/317385718.db2.gz XSXOZCJHEIXQKX-LJQANCHMSA-N 2 0 338.536 2.486 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000541856484 318112277 /nfs/dbraw/zinc/11/22/77/318112277.db2.gz JJHBVIXGBXKLKJ-QGZVFWFLSA-N 2 0 332.492 2.392 10 0 EEAERP CN(CCC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1cc[nH+]cc1 ZINC000542784665 318139914 /nfs/dbraw/zinc/13/99/14/318139914.db2.gz UQKGMUGRTCOKIL-UHFFFAOYSA-N 2 0 342.443 2.487 10 0 EEAERP CN(CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cc[nH+]cc1 ZINC000561500644 318845670 /nfs/dbraw/zinc/84/56/70/318845670.db2.gz RWSKBBYSJCSQFN-SFHVURJKSA-N 2 0 330.476 2.385 10 0 EEAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565533936 319191148 /nfs/dbraw/zinc/19/11/48/319191148.db2.gz PUHAZQIMBAVNJH-UYAOXDASSA-N 2 0 340.471 2.425 10 0 EEAERP COc1ncccc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088808 319242707 /nfs/dbraw/zinc/24/27/07/319242707.db2.gz PYEYABPJMUFPEO-YLJYHZDGSA-N 2 0 339.439 2.478 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000566850899 319326539 /nfs/dbraw/zinc/32/65/39/319326539.db2.gz VVAWREWCYZZKNB-UYSNPLJNSA-N 2 0 326.506 2.336 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000569557923 319587330 /nfs/dbraw/zinc/58/73/30/319587330.db2.gz AHZZLWFYLYAQMO-QAPCUYQASA-N 2 0 330.476 2.080 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[NH+](C)C)cc1 ZINC000574741395 320052424 /nfs/dbraw/zinc/05/24/24/320052424.db2.gz AVRCQQLSNDKQPN-AZUAARDMSA-N 2 0 344.503 2.383 10 0 EEAERP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)COC2CCC([NH3+])CC2)cc1 ZINC000577712480 320271080 /nfs/dbraw/zinc/27/10/80/320271080.db2.gz WZYVQDNJMYRVQX-ACBHZAAOSA-N 2 0 345.487 2.008 10 0 EEAERP C[C@]1(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581933273 324344117 /nfs/dbraw/zinc/34/41/17/324344117.db2.gz GEWHVMGSWXXOON-NLWGTHIKSA-N 2 0 344.503 2.468 10 0 EEAERP CS[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH+]1CCCC1 ZINC000356030617 465287438 /nfs/dbraw/zinc/28/74/38/465287438.db2.gz SWBFSDSRXVZMKV-GVDBMIGSSA-N 2 0 339.549 2.289 10 0 EEAERP C[NH+](C)C[C@@H]1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000113512035 462598783 /nfs/dbraw/zinc/59/87/83/462598783.db2.gz BVISIISKOSZGIL-ZFWWWQNUSA-N 2 0 346.393 2.329 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000113624846 462608300 /nfs/dbraw/zinc/60/83/00/462608300.db2.gz BXWSDJAOEOUMBR-RDJZCZTQSA-N 2 0 332.492 2.461 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000129033428 462686283 /nfs/dbraw/zinc/68/62/83/462686283.db2.gz VCGIDRKYWOXAKJ-IRXDYDNUSA-N 2 0 326.529 2.384 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115796904 462728006 /nfs/dbraw/zinc/72/80/06/462728006.db2.gz NTUQCWADZUKZQI-CQSZACIVSA-N 2 0 338.471 2.417 10 0 EEAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132364952 462852694 /nfs/dbraw/zinc/85/26/94/462852694.db2.gz XSYUKWFZESDWNK-PXNSSMCTSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000079121326 463190536 /nfs/dbraw/zinc/19/05/36/463190536.db2.gz CUMAPAVZJMTSQH-AEFFLSMTSA-N 2 0 332.492 2.463 10 0 EEAERP COc1ccc2c(c1)OCC(C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1)=C2 ZINC000069347476 463233491 /nfs/dbraw/zinc/23/34/91/463233491.db2.gz BFLJXYMXXRPPFE-OAHLLOKOSA-N 2 0 346.471 2.153 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079732828 463245274 /nfs/dbraw/zinc/24/52/74/463245274.db2.gz YKBPLTZINFMRCF-GBESFXJTSA-N 2 0 344.503 2.085 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCN2C)CC1 ZINC000151719025 463580430 /nfs/dbraw/zinc/58/04/30/463580430.db2.gz UGLYMOPMWDNGHP-IBGZPJMESA-N 2 0 330.520 2.402 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000073947410 463673346 /nfs/dbraw/zinc/67/33/46/463673346.db2.gz IRYBENNALSYGGJ-WMZOPIPTSA-N 2 0 344.503 2.405 10 0 EEAERP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000193384785 463710535 /nfs/dbraw/zinc/71/05/35/463710535.db2.gz RWMMQWMRFURVFC-QGZVFWFLSA-N 2 0 336.524 2.236 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000170826897 463714832 /nfs/dbraw/zinc/71/48/32/463714832.db2.gz HTBBMTRHYHMZER-SFHVURJKSA-N 2 0 330.476 2.128 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000170829733 463715659 /nfs/dbraw/zinc/71/56/59/463715659.db2.gz SUSWMPCOESCJHC-ROUUACIJSA-N 2 0 330.476 2.169 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000185380672 463811759 /nfs/dbraw/zinc/81/17/59/463811759.db2.gz APVDPCQEGKVYNA-UHFFFAOYSA-N 2 0 332.492 2.028 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185961986 463912527 /nfs/dbraw/zinc/91/25/27/463912527.db2.gz DATBNNREWSXUGA-IBGZPJMESA-N 2 0 346.519 2.144 10 0 EEAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263902970 464232682 /nfs/dbraw/zinc/23/26/82/464232682.db2.gz FBVLRDPXMUGEQP-MOPGFXCFSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237517835 464333304 /nfs/dbraw/zinc/33/33/04/464333304.db2.gz FSOYTVWCEHSZLA-MNEFBYGVSA-N 2 0 338.455 2.108 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000181279484 464465616 /nfs/dbraw/zinc/46/56/16/464465616.db2.gz XTMRDWONJLKJTA-FUHWJXTLSA-N 2 0 332.492 2.290 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000247491234 464685556 /nfs/dbraw/zinc/68/55/56/464685556.db2.gz LTDSWVYTWRTKIR-ZWKOTPCHSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000177327488 464987764 /nfs/dbraw/zinc/98/77/64/464987764.db2.gz PRVIZRDGBBUZAZ-IBGZPJMESA-N 2 0 344.503 2.170 10 0 EEAERP COC(=O)c1oc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000597057642 468430236 /nfs/dbraw/zinc/43/02/36/468430236.db2.gz HKMPVMVIUZIBAA-OAHLLOKOSA-N 2 0 336.432 2.108 10 0 EEAERP CCn1ncnc1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000366287662 465634665 /nfs/dbraw/zinc/63/46/65/465634665.db2.gz UEMVWHAWOZLIPV-KZNAEPCWSA-N 2 0 325.460 2.298 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000340088212 465755999 /nfs/dbraw/zinc/75/59/99/465755999.db2.gz KIWKAJHGJMXEAE-ZWKOTPCHSA-N 2 0 332.492 2.463 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000361336649 465916495 /nfs/dbraw/zinc/91/64/95/465916495.db2.gz RCGIVRRYINFZSK-UYAOXDASSA-N 2 0 331.504 2.209 10 0 EEAERP Cc1ccc(C2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cn1 ZINC000371737103 465971142 /nfs/dbraw/zinc/97/11/42/465971142.db2.gz ZZMBRUZMZBZFMQ-UHFFFAOYSA-N 2 0 332.448 2.194 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC2(C[NH+](C)C)CCC2)CC1 ZINC000367003458 466066146 /nfs/dbraw/zinc/06/61/46/466066146.db2.gz GFFLWHPSZLSGLA-UHFFFAOYSA-N 2 0 330.476 2.207 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000340539673 466160994 /nfs/dbraw/zinc/16/09/94/466160994.db2.gz TXCDWCVISLFJHV-QGZVFWFLSA-N 2 0 343.475 2.320 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000358014608 466387765 /nfs/dbraw/zinc/38/77/65/466387765.db2.gz NWVYDPDRPNXOAP-UHFFFAOYSA-N 2 0 333.476 2.041 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000340857545 466388094 /nfs/dbraw/zinc/38/80/94/466388094.db2.gz HLVKDGSMQFJYIZ-NEWSRXKRSA-N 2 0 346.519 2.283 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000358192264 466529933 /nfs/dbraw/zinc/52/99/33/466529933.db2.gz PLIJWMZITNFDHV-HKUYNNGSSA-N 2 0 336.524 2.448 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000358200182 466535621 /nfs/dbraw/zinc/53/56/21/466535621.db2.gz ZACHKFRADHFQQL-OKZBNKHCSA-N 2 0 336.524 2.304 10 0 EEAERP CC[C@@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372876919 466625393 /nfs/dbraw/zinc/62/53/93/466625393.db2.gz JZVWLXNJEJIJMX-LJQANCHMSA-N 2 0 325.541 2.276 10 0 EEAERP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCC(c2c[nH]cn2)CC1 ZINC000373084475 466686388 /nfs/dbraw/zinc/68/63/88/466686388.db2.gz RPZOFGYPCRXUGN-MRXNPFEDSA-N 2 0 331.464 2.316 10 0 EEAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H](O)COCc1ccccc1 ZINC000662252638 472043655 /nfs/dbraw/zinc/04/36/55/472043655.db2.gz CLMPYHQZPWQJHK-HXUWFJFHSA-N 2 0 340.467 2.342 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1F ZINC000417665321 466903748 /nfs/dbraw/zinc/90/37/48/466903748.db2.gz YJJKREBTMHCXAQ-LESCRADOSA-N 2 0 348.466 2.156 10 0 EEAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418333657 467094164 /nfs/dbraw/zinc/09/41/64/467094164.db2.gz FFVKPZCUYIYWPV-UHOSZYNNSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418548055 467126450 /nfs/dbraw/zinc/12/64/50/467126450.db2.gz JPMRTPDFTOTQMC-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)CC1 ZINC000418573436 467130514 /nfs/dbraw/zinc/13/05/14/467130514.db2.gz LJLYUDVNSUDUAV-FGTMMUONSA-N 2 0 336.524 2.138 10 0 EEAERP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000418589724 467132520 /nfs/dbraw/zinc/13/25/20/467132520.db2.gz JDOLNXHLKHAAEU-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP CN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418764633 467156928 /nfs/dbraw/zinc/15/69/28/467156928.db2.gz KZIIUQPQMCKRCV-RCCFBDPRSA-N 2 0 330.476 2.030 10 0 EEAERP CC(C)C[C@@H]([NH3+])CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000414707216 467430925 /nfs/dbraw/zinc/43/09/25/467430925.db2.gz YPXJIOYZRGKZRE-HXUWFJFHSA-N 2 0 332.536 2.109 10 0 EEAERP C[C@H](Cc1ccoc1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000449108185 467618288 /nfs/dbraw/zinc/61/82/88/467618288.db2.gz PYNNSEHHMOGHCC-QGZVFWFLSA-N 2 0 328.460 2.408 10 0 EEAERP CN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519151449 468145737 /nfs/dbraw/zinc/14/57/37/468145737.db2.gz ZCFGEPVUELVLBJ-DAXOMENPSA-N 2 0 339.842 2.340 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000569794787 468543562 /nfs/dbraw/zinc/54/35/62/468543562.db2.gz HHCJKAFPXIOUPZ-RDTXWAMCSA-N 2 0 330.476 2.380 10 0 EEAERP COCCN1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000582720444 468583497 /nfs/dbraw/zinc/58/34/97/468583497.db2.gz NDQQEPQWLUZNHD-MRXNPFEDSA-N 2 0 339.867 2.369 10 0 EEAERP COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000599558515 469291814 /nfs/dbraw/zinc/29/18/14/469291814.db2.gz JYNNGKPQKNHKRT-HXUWFJFHSA-N 2 0 346.471 2.436 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513992 469571080 /nfs/dbraw/zinc/57/10/80/469571080.db2.gz NRHBWJXNHRCYFZ-SECBINFHSA-N 2 0 327.354 2.452 10 0 EEAERP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000629524459 469573203 /nfs/dbraw/zinc/57/32/03/469573203.db2.gz MKOYODOBZUVXRE-HSALFYBXSA-N 2 0 343.515 2.385 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000626994999 469781214 /nfs/dbraw/zinc/78/12/14/469781214.db2.gz NJFHTPLIJNEBHP-NEPXVJNWSA-N 2 0 344.503 2.479 10 0 EEAERP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623866893 469783024 /nfs/dbraw/zinc/78/30/24/469783024.db2.gz JMIZSEYEGGZFLK-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000627027804 469795293 /nfs/dbraw/zinc/79/52/93/469795293.db2.gz ZMRNAJNGLCTRFE-RLLQIKCJSA-N 2 0 348.535 2.425 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]1 ZINC000627208958 469845448 /nfs/dbraw/zinc/84/54/48/469845448.db2.gz CUDPWISGBOVUOT-QXCFHYIPSA-N 2 0 342.487 2.043 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000618195052 469917919 /nfs/dbraw/zinc/91/79/19/469917919.db2.gz SUAOYYHVHFFSTC-UHFFFAOYSA-N 2 0 333.476 2.041 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1ccc(C(F)F)nc1)C(=O)NCC[NH+](C)C ZINC000631102465 470069446 /nfs/dbraw/zinc/06/94/46/470069446.db2.gz RPHPCAJXHZCKJR-HNNXBMFYSA-N 2 0 342.434 2.201 10 0 EEAERP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(CO)ccc3F)CC2)CC1 ZINC000625277340 470110700 /nfs/dbraw/zinc/11/07/00/470110700.db2.gz RKLUVNMPNDISIF-UHFFFAOYSA-N 2 0 349.494 2.308 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638836626 470300331 /nfs/dbraw/zinc/30/03/31/470300331.db2.gz UOPWOWJYGZPLRG-BHIYHBOVSA-N 2 0 329.488 2.403 10 0 EEAERP CN(C(=O)C1(c2ccccc2)CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649322893 470544683 /nfs/dbraw/zinc/54/46/83/470544683.db2.gz UMVILGISTCVVFB-SFHVURJKSA-N 2 0 327.472 2.003 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000639750534 470649044 /nfs/dbraw/zinc/64/90/44/470649044.db2.gz WEICRYQLYDFCQJ-RBUKOAKNSA-N 2 0 333.520 2.141 10 0 EEAERP FC1(F)C[C@@]12CC[NH+](CCOCC[N@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907696 470740098 /nfs/dbraw/zinc/74/00/98/470740098.db2.gz YCHWSGFQHPKGCO-OKILXGFUSA-N 2 0 336.373 2.465 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000650710717 470947694 /nfs/dbraw/zinc/94/76/94/470947694.db2.gz XYJWVBZRKFMLEA-KRWDZBQOSA-N 2 0 326.529 2.386 10 0 EEAERP Nc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)c2c([nH+]1)CCCC2 ZINC000645095354 471135080 /nfs/dbraw/zinc/13/50/80/471135080.db2.gz CGWXVUXUDCBEOR-OAHLLOKOSA-N 2 0 327.432 2.202 10 0 EEAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCC3(F)F)C2)CC1 ZINC000648316157 471162714 /nfs/dbraw/zinc/16/27/14/471162714.db2.gz JCQJBAJWLFKRDE-DZGCQCFKSA-N 2 0 329.435 2.097 10 0 EEAERP O[C@]1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000651944424 471179791 /nfs/dbraw/zinc/17/97/91/471179791.db2.gz VIBWGRJWXLVSHJ-XRXFAXGQSA-N 2 0 344.499 2.418 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCn4nccc43)cn2)CC1 ZINC000657839464 471239391 /nfs/dbraw/zinc/23/93/91/471239391.db2.gz WDIJRIQLJMRYHH-KRWDZBQOSA-N 2 0 340.475 2.045 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000652174448 471250322 /nfs/dbraw/zinc/25/03/22/471250322.db2.gz UNWWGWTYPOJCCR-ZWKOTPCHSA-N 2 0 330.476 2.121 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655247267 471291992 /nfs/dbraw/zinc/29/19/92/471291992.db2.gz ZXORYPPQXSFXCD-MAEOIBBWSA-N 2 0 347.503 2.477 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035698 471477920 /nfs/dbraw/zinc/47/79/20/471477920.db2.gz YTEIGNAYDIYLOE-ROUUACIJSA-N 2 0 346.475 2.342 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413892 471485158 /nfs/dbraw/zinc/48/51/58/471485158.db2.gz LJANSHUNSCQYIW-QFBILLFUSA-N 2 0 344.503 2.196 10 0 EEAERP CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC([NH3+])C1 ZINC000669474431 471510563 /nfs/dbraw/zinc/51/05/63/471510563.db2.gz FGHJUHZSFIRDAV-PNIOZXJOSA-N 2 0 342.487 2.313 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655913464 471535960 /nfs/dbraw/zinc/53/59/60/471535960.db2.gz UNQOHWDEWDUYCZ-CQSZACIVSA-N 2 0 346.397 2.217 10 0 EEAERP CCC1(CNC(=O)NC/C=C/C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000669543108 471543826 /nfs/dbraw/zinc/54/38/26/471543826.db2.gz LUPWKSCYHJDFMG-VOTSOKGWSA-N 2 0 344.503 2.493 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1 ZINC000666827727 471551276 /nfs/dbraw/zinc/55/12/76/471551276.db2.gz BZPVUAIZHCQVON-CXAGYDPISA-N 2 0 330.407 2.073 10 0 EEAERP CC1CC[NH+](Cc2ccccc2CNC(=O)NC/C=C\C[NH3+])CC1 ZINC000669569486 471561349 /nfs/dbraw/zinc/56/13/49/471561349.db2.gz DOZUGNRLGJCTDJ-PLNGDYQASA-N 2 0 330.476 2.233 10 0 EEAERP CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659292092 471569558 /nfs/dbraw/zinc/56/95/58/471569558.db2.gz BJQPMQBAJQPFBD-AEFFLSMTSA-N 2 0 327.472 2.374 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000666925083 471589972 /nfs/dbraw/zinc/58/99/72/471589972.db2.gz RADWIKJMFFRGSH-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000656152872 471609106 /nfs/dbraw/zinc/60/91/06/471609106.db2.gz KVOJZDHMQOMFIQ-VNQPRFMTSA-N 2 0 326.868 2.147 10 0 EEAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659426047 471620471 /nfs/dbraw/zinc/62/04/71/471620471.db2.gz SKIPDUGEXXLMET-QZTJIDSGSA-N 2 0 332.492 2.163 10 0 EEAERP CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659583592 471687876 /nfs/dbraw/zinc/68/78/76/471687876.db2.gz TZCRSCBSEZQYCC-IPMKNSEASA-N 2 0 342.487 2.010 10 0 EEAERP FC1(F)C[C@@H]1OCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000660231468 471912868 /nfs/dbraw/zinc/91/28/68/471912868.db2.gz BSRUARXYTKXSGL-INIZCTEOSA-N 2 0 332.435 2.235 10 0 EEAERP C[N@H+](CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000667803927 471914187 /nfs/dbraw/zinc/91/41/87/471914187.db2.gz RPYDZEIRRKIJJY-UHFFFAOYSA-N 2 0 331.464 2.113 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000665289526 471991496 /nfs/dbraw/zinc/99/14/96/471991496.db2.gz QLMDDAFRIGYJLS-HNNXBMFYSA-N 2 0 349.523 2.414 10 0 EEAERP C[N@H+](CCNC(=O)c1cc(C2CC[NH2+]CC2)no1)Cc1ccccc1 ZINC000662402434 472099042 /nfs/dbraw/zinc/09/90/42/472099042.db2.gz JXQIEVZCZFGRKB-UHFFFAOYSA-N 2 0 342.443 2.003 10 0 EEAERP C[C@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC[NH2+]CC1 ZINC000662685731 472205278 /nfs/dbraw/zinc/20/52/78/472205278.db2.gz HEUUMLVDVYUMEC-KDOFPFPSSA-N 2 0 331.460 2.312 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)on1 ZINC000662815723 472264413 /nfs/dbraw/zinc/26/44/13/472264413.db2.gz SXAXNUXNPLVDLM-UHFFFAOYSA-N 2 0 335.433 2.044 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000662826106 472268699 /nfs/dbraw/zinc/26/86/99/472268699.db2.gz SPYJHQHIYAJDIC-AEFFLSMTSA-N 2 0 339.524 2.242 10 0 EEAERP O=C(NCCN1Cc2ccccc2C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864652 485558756 /nfs/dbraw/zinc/55/87/56/485558756.db2.gz PIFPRNJIJAEAPG-UHFFFAOYSA-N 2 0 348.410 2.405 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862627 485559237 /nfs/dbraw/zinc/55/92/37/485559237.db2.gz OCHANVTZDHWHDP-CQSZACIVSA-N 2 0 328.420 2.263 10 0 EEAERP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248906 485595451 /nfs/dbraw/zinc/59/54/51/485595451.db2.gz FNHAKSPULLKEGG-INIZCTEOSA-N 2 0 331.460 2.167 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000674147503 485646377 /nfs/dbraw/zinc/64/63/77/485646377.db2.gz CLQPTCUBWZYHMA-QRQLOZEOSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000683814699 485649016 /nfs/dbraw/zinc/64/90/16/485649016.db2.gz OIWNESUHFSWZSG-UHFFFAOYSA-N 2 0 331.504 2.350 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000678006957 486547683 /nfs/dbraw/zinc/54/76/83/486547683.db2.gz OSCBVJBXNORPNE-KGLIPLIRSA-N 2 0 328.420 2.214 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000416343346 528226160 /nfs/dbraw/zinc/22/61/60/528226160.db2.gz RLNCKOMCPUWDKQ-MRXNPFEDSA-N 2 0 349.475 2.449 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ocnc3C)C2)ccn1 ZINC000895375369 684563283 /nfs/dbraw/zinc/56/32/83/684563283.db2.gz ZNSODBHNTRZGSA-KRWDZBQOSA-N 2 0 330.432 2.483 10 0 EEAERP COc1cccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+]2CCCC2)c1 ZINC000899968074 693947088 /nfs/dbraw/zinc/94/70/88/693947088.db2.gz BWOBVHJWGYOYMG-SFHVURJKSA-N 2 0 343.471 2.044 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000896989125 686037718 /nfs/dbraw/zinc/03/77/18/686037718.db2.gz ONFRMCBSADHCNR-HKUYNNGSSA-N 2 0 345.487 2.429 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCC[NH+]2CCN(C)CC2)n(C)n1 ZINC000924663904 693101973 /nfs/dbraw/zinc/10/19/73/693101973.db2.gz YCUWDHBDQOJSQH-AZUAARDMSA-N 2 0 347.551 2.057 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485506167 1191818703 /nfs/dbraw/zinc/81/87/03/1191818703.db2.gz LBSBXZZDWKLOQW-AAEUAGOBSA-N 2 0 341.393 2.055 10 0 EEAERP Cc1ccc(CC[NH+]2CC([C@@H](C)NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001485537805 1191827406 /nfs/dbraw/zinc/82/74/06/1191827406.db2.gz UDCQHGNDXIKXJW-QGZVFWFLSA-N 2 0 329.488 2.070 10 0 EEAERP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)cc1C ZINC001485614458 1191862657 /nfs/dbraw/zinc/86/26/57/1191862657.db2.gz MJJKRLLEIDTJSU-LDLYASANSA-N 2 0 329.488 2.049 10 0 EEAERP COCc1ccc(C[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001485763931 1191938487 /nfs/dbraw/zinc/93/84/87/1191938487.db2.gz XUGMTYHHKLWRGJ-UHFFFAOYSA-N 2 0 347.503 2.208 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](CCOCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266322944 1176276124 /nfs/dbraw/zinc/27/61/24/1176276124.db2.gz QMRJTXGJPRPOML-MJGOQNOKSA-N 2 0 349.519 2.011 10 0 EEAERP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCOCC)CC1 ZINC001266388951 1176462182 /nfs/dbraw/zinc/46/21/82/1176462182.db2.gz XIEVXYNUROJCFX-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001266733039 1177320762 /nfs/dbraw/zinc/32/07/62/1177320762.db2.gz QKFAJROJNNWNKD-INIZCTEOSA-N 2 0 327.419 2.099 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001266807395 1177464310 /nfs/dbraw/zinc/46/43/10/1177464310.db2.gz KIZJYUDILIOCPO-KGLIPLIRSA-N 2 0 335.414 2.109 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691321714 1177907974 /nfs/dbraw/zinc/90/79/74/1177907974.db2.gz HWKCLXNTOHNLEL-HXUWFJFHSA-N 2 0 343.515 2.181 10 0 EEAERP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCN1CCOCC1 ZINC001267176250 1178422440 /nfs/dbraw/zinc/42/24/40/1178422440.db2.gz BZVZNYGMZPFAHP-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)c(C)n1 ZINC001480922706 1178438505 /nfs/dbraw/zinc/43/85/05/1178438505.db2.gz DTGTUGUFRJDAAF-RBUKOAKNSA-N 2 0 344.503 2.263 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001267191570 1178465729 /nfs/dbraw/zinc/46/57/29/1178465729.db2.gz VUJUSLHUVGBHRE-WMZOPIPTSA-N 2 0 341.540 2.214 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CCCc2ccsc2)CC1 ZINC001279628802 1178662401 /nfs/dbraw/zinc/66/24/01/1178662401.db2.gz PBAAAVUIOBLZAJ-UHFFFAOYSA-N 2 0 335.517 2.381 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@H]1CCCCO1 ZINC001267393487 1178964126 /nfs/dbraw/zinc/96/41/26/1178964126.db2.gz IPARCHWRGPMARS-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001267408800 1178982032 /nfs/dbraw/zinc/98/20/32/1178982032.db2.gz NKRCMNSYZKMENT-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456250 1179038341 /nfs/dbraw/zinc/03/83/41/1179038341.db2.gz RALMXAJJHZMUJO-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)CCC1 ZINC001481095241 1179729842 /nfs/dbraw/zinc/72/98/42/1179729842.db2.gz GZBIVUKOZJHGCX-MRXNPFEDSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001481125109 1179825544 /nfs/dbraw/zinc/82/55/44/1179825544.db2.gz BFJDKGDCTQBPKK-AWEZNQCLSA-N 2 0 339.430 2.243 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1CCOCC1 ZINC001481154822 1179940227 /nfs/dbraw/zinc/94/02/27/1179940227.db2.gz NLCRFHOFMOFDCV-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001481154855 1179941984 /nfs/dbraw/zinc/94/19/84/1179941984.db2.gz YIRGTOVXVKHADL-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001267828478 1180595958 /nfs/dbraw/zinc/59/59/58/1180595958.db2.gz YXXQOHLWIKPRBA-OLZOCXBDSA-N 2 0 348.318 2.151 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1OC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001481277115 1180658201 /nfs/dbraw/zinc/65/82/01/1180658201.db2.gz KYFSVVLIFUBEHM-UHFFFAOYSA-N 2 0 345.487 2.118 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001267920651 1180766856 /nfs/dbraw/zinc/76/68/56/1180766856.db2.gz BHNMVFSAGSWJNF-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001267920653 1180767142 /nfs/dbraw/zinc/76/71/42/1180767142.db2.gz BHNMVFSAGSWJNF-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1Cl)[NH+](C)C ZINC001481281509 1180790333 /nfs/dbraw/zinc/79/03/33/1180790333.db2.gz QVURJWRAFLBWTH-HNNXBMFYSA-N 2 0 329.847 2.367 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001267994295 1180936693 /nfs/dbraw/zinc/93/66/93/1180936693.db2.gz QBZKLSUJBGVSJZ-KBPBESRZSA-N 2 0 337.430 2.401 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCOCC)CC1 ZINC001481332732 1181053269 /nfs/dbraw/zinc/05/32/69/1181053269.db2.gz DHIDKLFJVLVVBY-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001481432038 1181325014 /nfs/dbraw/zinc/32/50/14/1181325014.db2.gz KKPCVVSOAAWUSR-MJGOQNOKSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268081216 1181693807 /nfs/dbraw/zinc/69/38/07/1181693807.db2.gz NCHZICOYVJCLEP-KSZLIROESA-N 2 0 347.503 2.232 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001268159603 1181872002 /nfs/dbraw/zinc/87/20/02/1181872002.db2.gz ONCLQGVRSORDJY-HZPDHXFCSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268252683 1182082242 /nfs/dbraw/zinc/08/22/42/1182082242.db2.gz DZCOGTDXATWDIL-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001481697115 1182225763 /nfs/dbraw/zinc/22/57/63/1182225763.db2.gz CPYHEZFLIYWROP-INIZCTEOSA-N 2 0 343.462 2.488 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268365697 1182340184 /nfs/dbraw/zinc/34/01/84/1182340184.db2.gz GWGKQJSIILMOLJ-UMVBOHGHSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001268367084 1182348489 /nfs/dbraw/zinc/34/84/89/1182348489.db2.gz RWXNKBCNHJQJSS-XLIONFOSSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001268374209 1182378131 /nfs/dbraw/zinc/37/81/31/1182378131.db2.gz OQCKGOBRTZMHFZ-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCOC)C1)c1ccccc1 ZINC001481746150 1182504278 /nfs/dbraw/zinc/50/42/78/1182504278.db2.gz AIYIXHBXJSGCLT-RBUKOAKNSA-N 2 0 347.503 2.249 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@H]1CCCCO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268403235 1182511763 /nfs/dbraw/zinc/51/17/63/1182511763.db2.gz KNQDGPPJCXMUDQ-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481753344 1182547014 /nfs/dbraw/zinc/54/70/14/1182547014.db2.gz SOQDWSDZWDZVPX-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC3CC(F)(F)C3)CCCC2)C1 ZINC001481909980 1182930936 /nfs/dbraw/zinc/93/09/36/1182930936.db2.gz FDWBSYTYGYFWFH-AWEZNQCLSA-N 2 0 343.462 2.392 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001268523172 1183176564 /nfs/dbraw/zinc/17/65/64/1183176564.db2.gz POGPUXDGKZZREX-QBAOTHAWSA-N 2 0 331.435 2.169 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@@H]1CCc2ccccc21)[C@@H]1C[NH+]2CCC1CC2 ZINC001268538660 1183199710 /nfs/dbraw/zinc/19/97/10/1183199710.db2.gz LSPRJJHLVIMJRS-FMEUAVTJSA-N 2 0 339.483 2.278 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268639250 1183568900 /nfs/dbraw/zinc/56/89/00/1183568900.db2.gz FGLSUJWVCCFXIQ-MSOLQXFVSA-N 2 0 347.503 2.261 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001268792080 1183705965 /nfs/dbraw/zinc/70/59/65/1183705965.db2.gz VJNYHHUJKSZVCL-RBUKOAKNSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c1 ZINC001268798465 1183718023 /nfs/dbraw/zinc/71/80/23/1183718023.db2.gz KESODPBAYCFCRS-IAGOWNOFSA-N 2 0 326.444 2.460 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)Cc1cnc[nH]1 ZINC001268860852 1183771648 /nfs/dbraw/zinc/77/16/48/1183771648.db2.gz KGSZHELDXCAYCE-UHFFFAOYSA-N 2 0 326.444 2.079 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCc2ccsc2)C2CC2)C1 ZINC001269145112 1184000738 /nfs/dbraw/zinc/00/07/38/1184000738.db2.gz NGRXCKIUTSQKFQ-SJORKVTESA-N 2 0 335.517 2.117 10 0 EEAERP COCC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC001482221022 1184291024 /nfs/dbraw/zinc/29/10/24/1184291024.db2.gz SZPIEZZTZFXILX-UHFFFAOYSA-N 2 0 339.505 2.088 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2C)C1 ZINC001269786453 1184623750 /nfs/dbraw/zinc/62/37/50/1184623750.db2.gz VLKBFKAILUIEGS-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CCc2cccs2)CC1 ZINC001270121685 1184862985 /nfs/dbraw/zinc/86/29/85/1184862985.db2.gz NZVHAEDPOCGHKV-OAHLLOKOSA-N 2 0 335.517 2.213 10 0 EEAERP O=C(N[C@H](C[NH2+]CCF)C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001270450701 1185105566 /nfs/dbraw/zinc/10/55/66/1185105566.db2.gz XLVWSJWSIMOOEF-GOSISDBHSA-N 2 0 339.499 2.343 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001482340562 1185439082 /nfs/dbraw/zinc/43/90/82/1185439082.db2.gz JMNNFIOVCILQEI-NEPJUHHUSA-N 2 0 349.504 2.298 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCCCCF ZINC001482422685 1185667765 /nfs/dbraw/zinc/66/77/65/1185667765.db2.gz KYITXQOOKNZURI-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001482446085 1185762095 /nfs/dbraw/zinc/76/20/95/1185762095.db2.gz ONCLQGVRSORDJY-CVEARBPZSA-N 2 0 343.462 2.487 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482491854 1186285479 /nfs/dbraw/zinc/28/54/79/1186285479.db2.gz CAJZHCDICAPZOS-YJBOKZPZSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550140 1186310790 /nfs/dbraw/zinc/31/07/90/1186310790.db2.gz MXJOQRNCGZPMNO-ZWKOTPCHSA-N 2 0 346.519 2.449 10 0 EEAERP CCCCCN1CCOC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001280417958 1186401445 /nfs/dbraw/zinc/40/14/45/1186401445.db2.gz JYOKBFIEENLWBC-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272042363 1187229503 /nfs/dbraw/zinc/22/95/03/1187229503.db2.gz DGUUGJGPDDBIDW-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272781749 1193495646 /nfs/dbraw/zinc/49/56/46/1193495646.db2.gz IQQNPGPTUZXBOA-CQSZACIVSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272781839 1193495719 /nfs/dbraw/zinc/49/57/19/1193495719.db2.gz KNZGFIJIMFDXRX-RBSFLKMASA-N 2 0 336.480 2.123 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001482685821 1187653836 /nfs/dbraw/zinc/65/38/36/1187653836.db2.gz HTWRAULHUKKUNZ-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)c1sccc1C[NH+](C)C ZINC001482837998 1187757725 /nfs/dbraw/zinc/75/77/25/1187757725.db2.gz NINHJGMCPOKLSR-GFCCVEGCSA-N 2 0 336.461 2.096 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001482847513 1187766103 /nfs/dbraw/zinc/76/61/03/1187766103.db2.gz DXBDGXYQYKXKCN-LBPRGKRZSA-N 2 0 341.415 2.237 10 0 EEAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482925218 1187845610 /nfs/dbraw/zinc/84/56/10/1187845610.db2.gz OBHZSKVQUPFTKL-QKWWCAPFSA-N 2 0 341.499 2.480 10 0 EEAERP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001483009600 1187992457 /nfs/dbraw/zinc/99/24/57/1187992457.db2.gz CJGBSDCOKCTVOB-CHYADLBTSA-N 2 0 331.464 2.018 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(CF)cc1 ZINC001483022499 1188011872 /nfs/dbraw/zinc/01/18/72/1188011872.db2.gz KDHAJQJPSVRFCF-DDKKJVIOSA-N 2 0 333.451 2.402 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCOC)C2)CC[N@@H+]1C ZINC001691620350 1188320661 /nfs/dbraw/zinc/32/06/61/1188320661.db2.gz JOHAJROJSDMGRO-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCNCc1ncc(C2CC2)o1)[NH+]1CCCC1 ZINC001691623268 1188322590 /nfs/dbraw/zinc/32/25/90/1188322590.db2.gz QJNWHFUMSJGYPR-GOSISDBHSA-N 2 0 348.491 2.220 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]Cc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001483069126 1188416421 /nfs/dbraw/zinc/41/64/21/1188416421.db2.gz JVJYRHISLDZLOJ-YIEVGGLXSA-N 2 0 348.466 2.247 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001272228188 1188457749 /nfs/dbraw/zinc/45/77/49/1188457749.db2.gz YUZARSLWRUHRMX-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1C ZINC001483197525 1189083236 /nfs/dbraw/zinc/08/32/36/1189083236.db2.gz LXZVHVYQZHUVHZ-QZTJIDSGSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001409343557 1189551038 /nfs/dbraw/zinc/55/10/38/1189551038.db2.gz BXABZTSWRASOTR-CHWSQXEVSA-N 2 0 339.430 2.432 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485875221 1193626892 /nfs/dbraw/zinc/62/68/92/1193626892.db2.gz JUZUDQULYMIECQ-BEFAXECRSA-N 2 0 347.478 2.412 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485890523 1193631458 /nfs/dbraw/zinc/63/14/58/1193631458.db2.gz KNKORABODAOYQJ-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001485892621 1193632156 /nfs/dbraw/zinc/63/21/56/1193632156.db2.gz PUHJRCKHESNZDW-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001409450183 1189698147 /nfs/dbraw/zinc/69/81/47/1189698147.db2.gz UUCRTKHBJJFYMX-ZIZGEXBGSA-N 2 0 339.911 2.440 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001485923035 1193641510 /nfs/dbraw/zinc/64/15/10/1193641510.db2.gz VSNOWPQPJRUHRD-AWEZNQCLSA-N 2 0 340.537 2.366 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc2c(c1)COC2 ZINC001409572515 1190045249 /nfs/dbraw/zinc/04/52/49/1190045249.db2.gz BJFFFQMYTCWQPR-BEFAXECRSA-N 2 0 345.487 2.138 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001409567527 1190045672 /nfs/dbraw/zinc/04/56/72/1190045672.db2.gz NHEKKFSZKRHRPO-APWZRJJASA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483405416 1190450408 /nfs/dbraw/zinc/45/04/08/1190450408.db2.gz YEKLFJKXTBWHRY-DLBZAZTESA-N 2 0 347.503 2.295 10 0 EEAERP CN(CCC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456438 1190484908 /nfs/dbraw/zinc/48/49/08/1190484908.db2.gz WINZBZWBZNANNW-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483473419 1190494739 /nfs/dbraw/zinc/49/47/39/1190494739.db2.gz FBJFLOLUHJIICI-UHFFFAOYSA-N 2 0 348.491 2.051 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@@H](C)c2ncccn2)CC1 ZINC001483501084 1190515216 /nfs/dbraw/zinc/51/52/16/1190515216.db2.gz JLILLMPTTWNMIH-INIZCTEOSA-N 2 0 347.507 2.096 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cncc(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409837580 1190668364 /nfs/dbraw/zinc/66/83/64/1190668364.db2.gz LBVVGPICAOPAQM-QZTJIDSGSA-N 2 0 332.492 2.106 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cnc(C)s2)C1)[NH+](C)C ZINC001272615222 1190930803 /nfs/dbraw/zinc/93/08/03/1190930803.db2.gz AIAXPHQWTAQDDX-GOEBONIOSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC001483760901 1190988687 /nfs/dbraw/zinc/98/86/87/1190988687.db2.gz CLVHRGMSRODKIC-INIZCTEOSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001483767991 1191001774 /nfs/dbraw/zinc/00/17/74/1191001774.db2.gz SWKAMLKYRGWAGQ-SUMWQHHRSA-N 2 0 331.451 2.185 10 0 EEAERP Cc1cccc(CCC[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001483783313 1191036107 /nfs/dbraw/zinc/03/61/07/1191036107.db2.gz LKGFHAZUYXRWHE-UHFFFAOYSA-N 2 0 341.499 2.262 10 0 EEAERP O=C(N1CC[C@@]2(CC[N@@H+](CCCCCF)C2)C1)C12CC[NH+](CC1)C2 ZINC001483846213 1191080982 /nfs/dbraw/zinc/08/09/82/1191080982.db2.gz FMXLCIHJQXSLCO-GOSISDBHSA-N 2 0 337.483 2.146 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)CCN1C(=O)CC[NH+](C)C ZINC001483908201 1191120162 /nfs/dbraw/zinc/12/01/62/1191120162.db2.gz IJOMNNXBRAHOGK-BEFAXECRSA-N 2 0 345.487 2.138 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001483911205 1191121191 /nfs/dbraw/zinc/12/11/91/1191121191.db2.gz HRUXRPSRMWWDCO-IEBWSBKVSA-N 2 0 349.494 2.490 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001483950791 1191129355 /nfs/dbraw/zinc/12/93/55/1191129355.db2.gz RBWXBJVYESQVLR-SFHVURJKSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001484049443 1191180432 /nfs/dbraw/zinc/18/04/32/1191180432.db2.gz NCYLCHHKIOMVFB-QUCCMNQESA-N 2 0 347.503 2.376 10 0 EEAERP COCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484092729 1191207145 /nfs/dbraw/zinc/20/71/45/1191207145.db2.gz BPLPPBGDZJXDLJ-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484174430 1191259583 /nfs/dbraw/zinc/25/95/83/1191259583.db2.gz PQEFHVWEHPPJNZ-WBVHZDCISA-N 2 0 325.472 2.049 10 0 EEAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](C/C=C/Cl)C1 ZINC001484175380 1191260977 /nfs/dbraw/zinc/26/09/77/1191260977.db2.gz WFFXKUYTGUKREK-SEJWUHKESA-N 2 0 325.884 2.053 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCOCC1 ZINC001484191348 1191262815 /nfs/dbraw/zinc/26/28/15/1191262815.db2.gz JZQGRKNPTFKWPJ-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccccc1)C2 ZINC001484317340 1191301393 /nfs/dbraw/zinc/30/13/93/1191301393.db2.gz DXOLWSGETYKXRW-OTWHNJEPSA-N 2 0 329.488 2.150 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001484376762 1191321098 /nfs/dbraw/zinc/32/10/98/1191321098.db2.gz KFWBPZMMCKWEGW-GOEBONIOSA-N 2 0 337.895 2.476 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001484524518 1191397982 /nfs/dbraw/zinc/39/79/82/1191397982.db2.gz IOZOPPWFVKSDLR-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484535998 1191403605 /nfs/dbraw/zinc/40/36/05/1191403605.db2.gz MMYQVKKMBIHGTO-QGZVFWFLSA-N 2 0 344.503 2.060 10 0 EEAERP COC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001484557157 1191413877 /nfs/dbraw/zinc/41/38/77/1191413877.db2.gz GBIANRPMEGSGBQ-IRXDYDNUSA-N 2 0 347.503 2.111 10 0 EEAERP CCC1([NH2+]Cc2nc(C)c(C)o2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484819855 1191539559 /nfs/dbraw/zinc/53/95/59/1191539559.db2.gz XJWIVDRTJYSBHH-UHFFFAOYSA-N 2 0 348.491 2.248 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)s1 ZINC001484910046 1191571115 /nfs/dbraw/zinc/57/11/15/1191571115.db2.gz RNLJOAZXZWXLCZ-WFASDCNBSA-N 2 0 338.521 2.037 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]Cc2c(F)cccc2F)CC1 ZINC001484920598 1191575802 /nfs/dbraw/zinc/57/58/02/1191575802.db2.gz DUMWLVCXBNBILE-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001484994482 1191609779 /nfs/dbraw/zinc/60/97/79/1191609779.db2.gz XHHMKNSOHFPQAR-KKUMJFAQSA-N 2 0 333.467 2.492 10 0 EEAERP Cc1cncc(C[NH2+]CC2CC(NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001485110763 1191657497 /nfs/dbraw/zinc/65/74/97/1191657497.db2.gz VGCVOSKBWZKWTB-UHFFFAOYSA-N 2 0 344.503 2.250 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485179788 1191678925 /nfs/dbraw/zinc/67/89/25/1191678925.db2.gz JLWQCRWBDBWVOW-UONOGXRCSA-N 2 0 336.455 2.078 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189278 1191685920 /nfs/dbraw/zinc/68/59/20/1191685920.db2.gz KYEONLXGACFFOA-GJZGRUSLSA-N 2 0 349.523 2.097 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)n1 ZINC001485230400 1191699272 /nfs/dbraw/zinc/69/92/72/1191699272.db2.gz TVKSELPJBJDZDF-HUUCEWRRSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485375788 1191764621 /nfs/dbraw/zinc/76/46/21/1191764621.db2.gz AFULCCLXQNUXNL-GJZGRUSLSA-N 2 0 333.451 2.419 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001485443562 1191787119 /nfs/dbraw/zinc/78/71/19/1191787119.db2.gz LJYRTKHKKWMMMK-IRXDYDNUSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1nocc1C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001485453522 1191790910 /nfs/dbraw/zinc/79/09/10/1191790910.db2.gz CHDCYAZHJNWSHZ-KRWDZBQOSA-N 2 0 348.491 2.376 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1ocnc1C)NC(=O)C1CC[NH+](C)CC1 ZINC001485468338 1191795931 /nfs/dbraw/zinc/79/59/31/1191795931.db2.gz KTGKRQZMVUEBPP-MRXNPFEDSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C2)CC[N@@H+]1C ZINC001486241599 1193767880 /nfs/dbraw/zinc/76/78/80/1193767880.db2.gz XTDOFCBNGQJEMW-WBZPIZBHSA-N 2 0 327.900 2.296 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)ccc1C ZINC001272954998 1194234189 /nfs/dbraw/zinc/23/41/89/1194234189.db2.gz NGHHXFJZFMKWFT-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccns1 ZINC001273051328 1194356009 /nfs/dbraw/zinc/35/60/09/1194356009.db2.gz BDNKTWQXUZHANC-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)s1 ZINC001273091352 1194378513 /nfs/dbraw/zinc/37/85/13/1194378513.db2.gz TYNKTWPZTPAVIY-AWEZNQCLSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@]12CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702088640 1195741978 /nfs/dbraw/zinc/74/19/78/1195741978.db2.gz IHBGEVZDHSRFMH-CTAFRAEOSA-N 2 0 341.499 2.484 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001410170552 1197580490 /nfs/dbraw/zinc/58/04/90/1197580490.db2.gz NOBHSFVOTMAFFH-HOTGVXAUSA-N 2 0 345.478 2.339 10 0 EEAERP CO[C@@H](C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1)C1CCC1 ZINC001410257439 1197641805 /nfs/dbraw/zinc/64/18/05/1197641805.db2.gz IMYMVAWPDCZDDU-SFHVURJKSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001410307912 1197669451 /nfs/dbraw/zinc/66/94/51/1197669451.db2.gz GEGALWBSEFSRIQ-MSOLQXFVSA-N 2 0 348.491 2.182 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800946 1197911016 /nfs/dbraw/zinc/91/10/16/1197911016.db2.gz BINPAFSUMHZYED-NPYXIHBLSA-N 2 0 341.459 2.199 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCc2ccccc21 ZINC001410457174 1197933250 /nfs/dbraw/zinc/93/32/50/1197933250.db2.gz SSMLXJGHIQTZKY-QAPCUYQASA-N 2 0 329.488 2.452 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nccnc2-c2ccccc2)C[C@H]1C[NH+](C)C ZINC000866011770 1198454181 /nfs/dbraw/zinc/45/41/81/1198454181.db2.gz KVVMZAJTHIEGCF-QZTJIDSGSA-N 2 0 339.487 2.319 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ocnc3C)[C@@H]2C1 ZINC001410914562 1198569444 /nfs/dbraw/zinc/56/94/44/1198569444.db2.gz GZNMEQDKLUINSE-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]C/C=C\c2ccccc2)C(C)(C)C1 ZINC001410980728 1198657276 /nfs/dbraw/zinc/65/72/76/1198657276.db2.gz JXSBUQBBUVAZMB-YFWYWMRJSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@H]1CCC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875521718 1199282121 /nfs/dbraw/zinc/28/21/21/1199282121.db2.gz PFDBKLKQLUYCRX-BSDSXHPESA-N 2 0 338.540 2.336 10 0 EEAERP CN(C)Cc1cnc(CNC/C=C/CNC(=O)OC(C)(C)C)s1 ZINC000811498102 1200089296 /nfs/dbraw/zinc/08/92/96/1200089296.db2.gz LCLSXEQIIMWKMG-VOTSOKGWSA-N 2 0 340.493 2.375 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccccc2F)C[C@H]1C[NH+](C)C ZINC000870024813 1200413934 /nfs/dbraw/zinc/41/39/34/1200413934.db2.gz USGRRLJQHCZSOU-VEUZHWNKSA-N 2 0 333.451 2.037 10 0 EEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990012 1200993500 /nfs/dbraw/zinc/99/35/00/1200993500.db2.gz TVWVWOBOHZVRPO-VQIMIIECSA-N 2 0 339.524 2.003 10 0 EEAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813113222 1201123026 /nfs/dbraw/zinc/12/30/26/1201123026.db2.gz CCKLUTGPTYHEHI-RDTXWAMCSA-N 2 0 327.488 2.388 10 0 EEAERP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703274 1201584596 /nfs/dbraw/zinc/58/45/96/1201584596.db2.gz HVUOTNJQXJBSHL-KBXCAEBGSA-N 2 0 337.533 2.492 10 0 EEAERP CC(C)[C@H]1CN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC[N@@H+]1C ZINC000868947879 1201910470 /nfs/dbraw/zinc/91/04/70/1201910470.db2.gz QWLMAYJQVQNLJL-GOSISDBHSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCCc2ccsc2)CC[N@@H+]1C ZINC001274036353 1204339389 /nfs/dbraw/zinc/33/93/89/1204339389.db2.gz MZHDAPAWHZLFFN-NSWPXQNRSA-N 2 0 335.517 2.283 10 0 EEAERP Cc1ccccc1CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001274263212 1204980209 /nfs/dbraw/zinc/98/02/09/1204980209.db2.gz OFJKEUDUHSSNEN-ZMBJWTFHSA-N 2 0 329.488 2.284 10 0 EEAERP COCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001274363729 1205008636 /nfs/dbraw/zinc/00/86/36/1205008636.db2.gz QIXJNYDROCIOSW-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001276007534 1205631757 /nfs/dbraw/zinc/63/17/57/1205631757.db2.gz UVCKOHFBKXLNOB-QLFBSQMISA-N 2 0 331.451 2.200 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(OCCC[NH2+]CC)CC2)C1 ZINC001276170833 1205812372 /nfs/dbraw/zinc/81/23/72/1205812372.db2.gz PTLNHEJWMNUOJY-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000924357867 1205963596 /nfs/dbraw/zinc/96/35/96/1205963596.db2.gz MIHCBSOHSBOZSQ-PKOBYXMFSA-N 2 0 338.540 2.482 10 0 EEAERP Cc1nc2c(o1)CCC[C@@H]2NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924624490 1206006089 /nfs/dbraw/zinc/00/60/89/1206006089.db2.gz CDQGGQXQDSLQPV-INIZCTEOSA-N 2 0 341.459 2.297 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000924693745 1206019324 /nfs/dbraw/zinc/01/93/24/1206019324.db2.gz HURHEIKSJWORIJ-LJQANCHMSA-N 2 0 347.503 2.065 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925028954 1206062441 /nfs/dbraw/zinc/06/24/41/1206062441.db2.gz CQVGZLRSNWNDOC-ICSRJNTNSA-N 2 0 329.488 2.345 10 0 EEAERP Cc1ccccc1C[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925316357 1206095829 /nfs/dbraw/zinc/09/58/29/1206095829.db2.gz ZAWFUXIAFRHEMN-PKOBYXMFSA-N 2 0 344.503 2.305 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925579448 1206131246 /nfs/dbraw/zinc/13/12/46/1206131246.db2.gz DVXQJISGDJJHFG-KKUMJFAQSA-N 2 0 331.460 2.296 10 0 EEAERP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)c2)nn1 ZINC000925722371 1206146425 /nfs/dbraw/zinc/14/64/25/1206146425.db2.gz LKUVUMUSYMNLJO-BRWVUGGUSA-N 2 0 341.459 2.021 10 0 EEAERP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812172 1206156942 /nfs/dbraw/zinc/15/69/42/1206156942.db2.gz VBLRRYAJQVKOSB-ZDUSSCGKSA-N 2 0 338.883 2.070 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccnn1CC1CCC1 ZINC000926358365 1206215418 /nfs/dbraw/zinc/21/54/18/1206215418.db2.gz XVWGAUKGFTVRSX-MRXNPFEDSA-N 2 0 333.524 2.360 10 0 EEAERP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000928446737 1206385364 /nfs/dbraw/zinc/38/53/64/1206385364.db2.gz YJNZSBZNAWYMMZ-QGPMSJSTSA-N 2 0 333.451 2.247 10 0 EEAERP C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)COc3ccc4cc[nH]c4c3)C2)C1 ZINC000930575602 1206567927 /nfs/dbraw/zinc/56/79/27/1206567927.db2.gz BOTLYZVCMJUZIW-YLJYHZDGSA-N 2 0 343.471 2.325 10 0 EEAERP CC(C)C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000902740290 1238364946 /nfs/dbraw/zinc/36/49/46/1238364946.db2.gz REZGUMDRTDJZFC-GOSISDBHSA-N 2 0 325.541 2.443 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1COc2ccccc2C1 ZINC000902832701 1238652664 /nfs/dbraw/zinc/65/26/64/1238652664.db2.gz PKTMWQFHDMBYJT-SJLPKXTDSA-N 2 0 331.504 2.242 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000902958130 1239193269 /nfs/dbraw/zinc/19/32/69/1239193269.db2.gz NZGUPOVGTRPIHS-SJLPKXTDSA-N 2 0 347.507 2.248 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC000902981925 1239260366 /nfs/dbraw/zinc/26/03/66/1239260366.db2.gz SKDCHHIXDRLINC-SJLPKXTDSA-N 2 0 331.504 2.242 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)C1 ZINC000903442671 1240486436 /nfs/dbraw/zinc/48/64/36/1240486436.db2.gz XIRFIVZTVGTTJM-DZGCQCFKSA-N 2 0 327.432 2.438 10 0 EEAERP COc1ccc(OC)c(C[N@H+](CCO)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903892868 1242358414 /nfs/dbraw/zinc/35/84/14/1242358414.db2.gz NWEMAKOTKLXYGZ-ZXFUBFMLSA-N 2 0 334.460 2.029 10 0 EEAERP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC000903911029 1242444108 /nfs/dbraw/zinc/44/41/08/1242444108.db2.gz VGUGFOMMXOYHOM-KRWDZBQOSA-N 2 0 325.460 2.366 10 0 EEAERP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957642 1242720398 /nfs/dbraw/zinc/72/03/98/1242720398.db2.gz RYIRNKVXYBZOBS-CYBMUJFWSA-N 2 0 333.423 2.078 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc3cccc(OC)c3o1)C2 ZINC000903976868 1242826386 /nfs/dbraw/zinc/82/63/86/1242826386.db2.gz FWHOYEYCHVKZHQ-KSMMKXTCSA-N 2 0 344.411 2.154 10 0 EEAERP COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491236207 1258825622 /nfs/dbraw/zinc/82/56/22/1258825622.db2.gz IOPLPHHYVSCFIX-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001491238194 1258832429 /nfs/dbraw/zinc/83/24/29/1258832429.db2.gz ZZRHQWYESANGDU-QGZVFWFLSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2nccn2C)CC1)[NH+](CC)CC ZINC001491362079 1259001751 /nfs/dbraw/zinc/00/17/51/1259001751.db2.gz WEYKPWSHBLDYMH-JCYILVPMSA-N 2 0 349.523 2.058 10 0 EEAERP CO[C@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCOC1 ZINC000850342528 1277189167 /nfs/dbraw/zinc/18/91/67/1277189167.db2.gz MKZSMGQSVVBNGS-OXJNMPFZSA-N 2 0 347.503 2.363 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001273771927 1285353263 /nfs/dbraw/zinc/35/32/63/1285353263.db2.gz NQERNXRMOIZQCH-AWEZNQCLSA-N 2 0 337.430 2.497 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCC(C)C)[C@@H]1C ZINC001489270010 1290497038 /nfs/dbraw/zinc/49/70/38/1290497038.db2.gz KSBAKTVCZFHORQ-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001489276825 1290502186 /nfs/dbraw/zinc/50/21/86/1290502186.db2.gz XJRCNWAXTJCEAM-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000851785550 1291830906 /nfs/dbraw/zinc/83/09/06/1291830906.db2.gz QLVCEJQZAJOZOH-HZPDHXFCSA-N 2 0 348.424 2.379 10 0 EEAERP CN1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000852885845 1292225299 /nfs/dbraw/zinc/22/52/99/1292225299.db2.gz CZJMSDMYROEOBO-AEFFLSMTSA-N 2 0 335.398 2.136 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3cn[nH]c32)(N2CCCCC2)CC1 ZINC000857857430 1293932379 /nfs/dbraw/zinc/93/23/79/1293932379.db2.gz UEYWGLRWINXGBI-QGZVFWFLSA-N 2 0 331.508 2.327 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858286468 1294072040 /nfs/dbraw/zinc/07/20/40/1294072040.db2.gz COEGETDCFXXIEV-OAHLLOKOSA-N 2 0 343.512 2.380 10 0 EEAERP COc1cccc([C@H](C)[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549260 1296328717 /nfs/dbraw/zinc/32/87/17/1296328717.db2.gz FVTDIKLEMJKVMC-VHSSKADRSA-N 2 0 345.443 2.013 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277149159 1301517395 /nfs/dbraw/zinc/51/73/95/1301517395.db2.gz ZRSCSBDICCBVLU-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP CC[C@H](C(=O)N1CCC([N@H+](C)CCOCC2CCC2)CC1)[NH+](C)C ZINC001277440895 1303027135 /nfs/dbraw/zinc/02/71/35/1303027135.db2.gz HIDYCTVMONKQNG-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277770401 1304378503 /nfs/dbraw/zinc/37/85/03/1304378503.db2.gz CQMZYLFKAOZNBX-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cn2)CC1 ZINC000796694930 1304568151 /nfs/dbraw/zinc/56/81/51/1304568151.db2.gz MDDZEDHIBWOPTR-KRWDZBQOSA-N 2 0 340.475 2.114 10 0 EEAERP CCCN(C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)C1CC[NH2+]CC1 ZINC000841848830 1315622601 /nfs/dbraw/zinc/62/26/01/1315622601.db2.gz XRVVAODUAGTQLA-OAHLLOKOSA-N 2 0 338.883 2.424 10 0 EEAERP COCCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001278995405 1318952759 /nfs/dbraw/zinc/95/27/59/1318952759.db2.gz GTXLAVYUQOMWBM-ULQDDVLXSA-N 2 0 341.540 2.264 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC001261283533 1322057982 /nfs/dbraw/zinc/05/79/82/1322057982.db2.gz ZRACMZWBKOPIOW-LJQANCHMSA-N 2 0 331.504 2.363 10 0 EEAERP COCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001264015052 1322584901 /nfs/dbraw/zinc/58/49/01/1322584901.db2.gz PWXKQAPJEMMQIL-KURKYZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264683400 1322782467 /nfs/dbraw/zinc/78/24/67/1322782467.db2.gz CKJRAZSYKOHHOZ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)n1ccc(CN(C)CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001264986423 1322834432 /nfs/dbraw/zinc/83/44/32/1322834432.db2.gz KRWITLSAPXELIN-GOSISDBHSA-N 2 0 349.523 2.275 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCCCF)C1)[NH+]1CCCC1 ZINC001265319714 1323068115 /nfs/dbraw/zinc/06/81/15/1323068115.db2.gz QEQGCFZQSBPOHQ-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265613165 1323267682 /nfs/dbraw/zinc/26/76/82/1323267682.db2.gz JVRXDWOHOUWOEW-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCF)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001265927733 1323493073 /nfs/dbraw/zinc/49/30/73/1323493073.db2.gz WXLINZOHDMLJDK-MSOLQXFVSA-N 2 0 335.467 2.130 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001265977330 1323537363 /nfs/dbraw/zinc/53/73/63/1323537363.db2.gz YBZNHNBZOIWZOL-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cnc(C)o1 ZINC001266077794 1323632903 /nfs/dbraw/zinc/63/29/03/1323632903.db2.gz UHBCNDAPKOCXJU-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(NCCC[N@@H+](C/C=C\Cl)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001266138648 1323707972 /nfs/dbraw/zinc/70/79/72/1323707972.db2.gz OGEMHYONUYYROG-OWLMHDBPSA-N 2 0 325.884 2.051 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCCOC ZINC001281968444 1325541976 /nfs/dbraw/zinc/54/19/76/1325541976.db2.gz NCHMGWCAILAOCR-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001283077436 1325911102 /nfs/dbraw/zinc/91/11/02/1325911102.db2.gz DJGRCHAMJXKJIQ-WKHAIOEXSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001283612274 1326162116 /nfs/dbraw/zinc/16/21/16/1326162116.db2.gz PAKYCSAJNKLHAR-ZHALLVOQSA-N 2 0 347.503 2.151 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001491850671 1330274002 /nfs/dbraw/zinc/27/40/02/1330274002.db2.gz WKAOVXSAFHBADV-SFHVURJKSA-N 2 0 346.519 2.033 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3cncc(F)c3)C2)CC1 ZINC001491881769 1330287515 /nfs/dbraw/zinc/28/75/15/1330287515.db2.gz JIEFHRQLPIRUJB-IAGOWNOFSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)oc1C ZINC001491895973 1330294270 /nfs/dbraw/zinc/29/42/70/1330294270.db2.gz JOCOXBZMRYQRAD-HZPDHXFCSA-N 2 0 336.480 2.149 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCC(F)(F)F)C1 ZINC001492177510 1331056574 /nfs/dbraw/zinc/05/65/74/1331056574.db2.gz HEBRXMBXFVAHMU-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@@H]1CCCC1(F)F ZINC001492303094 1331142207 /nfs/dbraw/zinc/14/22/07/1331142207.db2.gz CZWCZZRVVKBZDT-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@H+](CCCCC1CCOCC1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492304925 1331143805 /nfs/dbraw/zinc/14/38/05/1331143805.db2.gz ZHTUKVUXRIJTNC-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]C/C=C\Cl ZINC001316684536 1331324082 /nfs/dbraw/zinc/32/40/82/1331324082.db2.gz JSYMUZPPUMTFBJ-RQTGCPSESA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882809 1331949329 /nfs/dbraw/zinc/94/93/29/1331949329.db2.gz VEMAMENFLAJNDU-SJORKVTESA-N 2 0 349.523 2.011 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)Cc2cncc(C)c2)CC[N@@H+]1C ZINC001316893645 1331960327 /nfs/dbraw/zinc/96/03/27/1331960327.db2.gz ZSBISQXKBCUMEK-RBUKOAKNSA-N 2 0 346.519 2.449 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C[C@H]1CC[C@@H](C)O1 ZINC001316903730 1331969138 /nfs/dbraw/zinc/96/91/38/1331969138.db2.gz LUDNCDHKHYPBOC-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccns1 ZINC001316910690 1331976181 /nfs/dbraw/zinc/97/61/81/1331976181.db2.gz GPISSOHZJJVPAF-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001317090623 1332075265 /nfs/dbraw/zinc/07/52/65/1332075265.db2.gz CVMLQIFXSXJLEL-WGSAOQKQSA-N 2 0 341.499 2.260 10 0 EEAERP COCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317152627 1332102015 /nfs/dbraw/zinc/10/20/15/1332102015.db2.gz GAJLQRILOALFRE-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001317260056 1332156744 /nfs/dbraw/zinc/15/67/44/1332156744.db2.gz ZWVQIIFOLIPGPQ-KRWDZBQOSA-N 2 0 347.503 2.343 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001317297042 1332168915 /nfs/dbraw/zinc/16/89/15/1332168915.db2.gz MJSICPAPRXKCEB-HKUYNNGSSA-N 2 0 345.487 2.130 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001317336834 1332184167 /nfs/dbraw/zinc/18/41/67/1332184167.db2.gz JFLSPSFCMHCUTJ-DLBZAZTESA-N 2 0 347.478 2.148 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001317412141 1332218526 /nfs/dbraw/zinc/21/85/26/1332218526.db2.gz JBWJPUQQECAGNY-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nc2ccccc2o1 ZINC001317592250 1332313935 /nfs/dbraw/zinc/31/39/35/1332313935.db2.gz CBWZOFZWUHXRNE-INIZCTEOSA-N 2 0 344.459 2.250 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]Cc1ocnc1C)c1ccccc1 ZINC001317647302 1332346858 /nfs/dbraw/zinc/34/68/58/1332346858.db2.gz BYTCNBCQSXKZKH-SFHVURJKSA-N 2 0 344.459 2.224 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001317687226 1332373796 /nfs/dbraw/zinc/37/37/96/1332373796.db2.gz WSHDIPYIAVVTPT-QGZVFWFLSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ccnn1C ZINC001317708479 1332382162 /nfs/dbraw/zinc/38/21/62/1332382162.db2.gz CNHHPGXBXLBRLC-CALCHBBNSA-N 2 0 349.523 2.010 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001318201107 1332486771 /nfs/dbraw/zinc/48/67/71/1332486771.db2.gz FXIBHXJDVOBLRJ-ULQDDVLXSA-N 2 0 325.472 2.286 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CCCOC)C2)C1 ZINC001318478428 1332547936 /nfs/dbraw/zinc/54/79/36/1332547936.db2.gz KLXVPBNUFXMGAZ-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001318561045 1332561141 /nfs/dbraw/zinc/56/11/41/1332561141.db2.gz FULSUCPQYMYEJM-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)co1 ZINC001318822094 1332604814 /nfs/dbraw/zinc/60/48/14/1332604814.db2.gz AQWWMTVBJOWGJR-INIZCTEOSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001318850903 1332611449 /nfs/dbraw/zinc/61/14/49/1332611449.db2.gz PCQWWDHPMSLMHT-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318852547 1332611905 /nfs/dbraw/zinc/61/19/05/1332611905.db2.gz WIUFBDRFHYHLEW-HOTGVXAUSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC001318914150 1332622331 /nfs/dbraw/zinc/62/23/31/1332622331.db2.gz AWIHKQPYWMCQES-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001319104521 1332650187 /nfs/dbraw/zinc/65/01/87/1332650187.db2.gz RTIQRQHGIVMRNN-MJGOQNOKSA-N 2 0 347.478 2.433 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001319111257 1332650725 /nfs/dbraw/zinc/65/07/25/1332650725.db2.gz DMLFMRZZUUNMNT-UYAOXDASSA-N 2 0 343.515 2.460 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001319394055 1332694117 /nfs/dbraw/zinc/69/41/17/1332694117.db2.gz ANQAZODLUMRDQV-MRXNPFEDSA-N 2 0 325.472 2.145 10 0 EEAERP COCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001319619953 1332729631 /nfs/dbraw/zinc/72/96/31/1332729631.db2.gz LVXAQXWGLWDTTF-OAHLLOKOSA-N 2 0 332.448 2.023 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001319769686 1332763286 /nfs/dbraw/zinc/76/32/86/1332763286.db2.gz NRKGOBSJBNDWDC-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001319791308 1332769068 /nfs/dbraw/zinc/76/90/68/1332769068.db2.gz LDHJCNKYDHBTBQ-RBUKOAKNSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)o1 ZINC001320111766 1332829373 /nfs/dbraw/zinc/82/93/73/1332829373.db2.gz QKZBEIUYNCHWGX-WMZOPIPTSA-N 2 0 348.491 2.138 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)C[NH+]1CCCC1 ZINC001320920584 1332979284 /nfs/dbraw/zinc/97/92/84/1332979284.db2.gz KNIDDFOQQFAICZ-OAHLLOKOSA-N 2 0 331.451 2.346 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001321210494 1333045543 /nfs/dbraw/zinc/04/55/43/1333045543.db2.gz JFFNZMAWXLASRS-ARJAWSKDSA-N 2 0 340.471 2.272 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1F ZINC001321248329 1333054812 /nfs/dbraw/zinc/05/48/12/1333054812.db2.gz BEULUBLSFBXJQX-DOOVEFGSSA-N 2 0 333.451 2.491 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321755255 1333152979 /nfs/dbraw/zinc/15/29/79/1333152979.db2.gz ATHMBDFZRGPOQC-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321878448 1333173085 /nfs/dbraw/zinc/17/30/85/1333173085.db2.gz NYVOGYYBEKTJMB-RDJZCZTQSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001322194564 1333225465 /nfs/dbraw/zinc/22/54/65/1333225465.db2.gz UKWQXUACFCFECK-PKOBYXMFSA-N 2 0 347.503 2.376 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCc3ccccc3)CC2)CC[N@@H+]1C ZINC001323441662 1333464838 /nfs/dbraw/zinc/46/48/38/1333464838.db2.gz ISJCRHHLQGRQJL-SJLPKXTDSA-N 2 0 329.488 2.198 10 0 EEAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001324342732 1333661661 /nfs/dbraw/zinc/66/16/61/1333661661.db2.gz KTAXCPVNELQJLG-JTGQJZMRSA-N 2 0 337.508 2.034 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001324555874 1333708024 /nfs/dbraw/zinc/70/80/24/1333708024.db2.gz CBRCOXWTIVSGRP-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326419340 1334089802 /nfs/dbraw/zinc/08/98/02/1334089802.db2.gz PKRZVDKXRQEECL-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001327033600 1334207807 /nfs/dbraw/zinc/20/78/07/1334207807.db2.gz DEMRIDVQUQUOGI-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C)on1 ZINC001327959072 1334370606 /nfs/dbraw/zinc/37/06/06/1334370606.db2.gz PPMYMPCAJLETLC-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001331928799 1335679216 /nfs/dbraw/zinc/67/92/16/1335679216.db2.gz OLQXCAPNZZUVMH-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001332455604 1335827762 /nfs/dbraw/zinc/82/77/62/1335827762.db2.gz ZLNQAXRTONQSOU-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)C1 ZINC001332880952 1335923818 /nfs/dbraw/zinc/92/38/18/1335923818.db2.gz CMBXOMBBHGRLHS-STQMWFEESA-N 2 0 337.430 2.401 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2c(C)noc2CC)CC1 ZINC001333433453 1336045554 /nfs/dbraw/zinc/04/55/54/1336045554.db2.gz PGCYSENLBQYIMW-UHFFFAOYSA-N 2 0 348.491 2.136 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@H+](CC[C@H]2CCOC2)CC1 ZINC001333458068 1336051382 /nfs/dbraw/zinc/05/13/82/1336051382.db2.gz MYABZTHJERSCEC-IBGZPJMESA-N 2 0 349.519 2.037 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001434161075 1341782021 /nfs/dbraw/zinc/78/20/21/1341782021.db2.gz XUDZGIVMLBNLJA-LJQANCHMSA-N 2 0 341.499 2.309 10 0 EEAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001668218569 1355901496 /nfs/dbraw/zinc/90/14/96/1355901496.db2.gz HNKMTZNREMJLNU-LZQZEXGQSA-N 2 0 329.488 2.226 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOC(C)C)C1 ZINC001436324214 1342028189 /nfs/dbraw/zinc/02/81/89/1342028189.db2.gz COEGFSTYSBYSCZ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[N@H+]2CCCCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001506561920 1342247183 /nfs/dbraw/zinc/24/71/83/1342247183.db2.gz UTZKSEGOJDYIEW-INIZCTEOSA-N 2 0 348.491 2.328 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001673985711 1356767749 /nfs/dbraw/zinc/76/77/49/1356767749.db2.gz PAQYGGNSFSJPFO-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP CN(CCC[NH+]1CCCCC1)CCOCCNC(=O)OC(C)(C)C ZINC001560057347 1342507001 /nfs/dbraw/zinc/50/70/01/1342507001.db2.gz OPPFCECPLXOPNG-UHFFFAOYSA-N 2 0 343.512 2.336 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC23CC[NH+](CCCCCF)CC3)C1 ZINC001566695303 1342605969 /nfs/dbraw/zinc/60/59/69/1342605969.db2.gz YUNNRGLWPZDKCN-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567250155 1342719613 /nfs/dbraw/zinc/71/96/13/1342719613.db2.gz QFZJLZQUDLYWAH-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001676114422 1357108512 /nfs/dbraw/zinc/10/85/12/1357108512.db2.gz KDSKWZSBFRSCHH-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP COCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001676768780 1357197408 /nfs/dbraw/zinc/19/74/08/1357197408.db2.gz WNSZGLBCBHTUOP-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001676820042 1357212101 /nfs/dbraw/zinc/21/21/01/1357212101.db2.gz GKMQZECDKZOFKW-HKUYNNGSSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001676973954 1357253398 /nfs/dbraw/zinc/25/33/98/1357253398.db2.gz CVIDKAUSKBTMNZ-NBZFBGEYSA-N 2 0 327.900 2.489 10 0 EEAERP CC1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CCCF ZINC001677032726 1357266141 /nfs/dbraw/zinc/26/61/41/1357266141.db2.gz JSRAKWOQAMPKSB-QGZVFWFLSA-N 2 0 339.499 2.295 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001649439908 1353505949 /nfs/dbraw/zinc/50/59/49/1353505949.db2.gz JKZSJQITDXSPMY-OEPRFQHASA-N 2 0 329.488 2.480 10 0 EEAERP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCO1 ZINC001649457795 1353515921 /nfs/dbraw/zinc/51/59/21/1353515921.db2.gz MMLHSYQTEJZWRE-WIJVFFIESA-N 2 0 337.508 2.034 10 0 EEAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001649857997 1353628669 /nfs/dbraw/zinc/62/86/69/1353628669.db2.gz PCWFXIQXFLBPTK-OALUTQOASA-N 2 0 345.487 2.295 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001654216204 1354143977 /nfs/dbraw/zinc/14/39/77/1354143977.db2.gz ONVPXAVABLPDOZ-KURKYZTESA-N 2 0 344.503 2.392 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1OC1CC1 ZINC001660081458 1354393802 /nfs/dbraw/zinc/39/38/02/1354393802.db2.gz QGHBZNACZRYTNA-SFHVURJKSA-N 2 0 345.487 2.260 10 0 EEAERP Cc1ccc(F)c(C[N@H+](C)CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001660147086 1354404172 /nfs/dbraw/zinc/40/41/72/1354404172.db2.gz XLKZUYUOFHMLTN-GOSISDBHSA-N 2 0 347.478 2.414 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@@H](C)O2)ccc2c[nH+]cn21 ZINC001660203706 1354415728 /nfs/dbraw/zinc/41/57/28/1354415728.db2.gz SJKOPEITQGCGQZ-PBHICJAKSA-N 2 0 344.459 2.262 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC001660282008 1354430286 /nfs/dbraw/zinc/43/02/86/1354430286.db2.gz HAGWQLBJXNFLPC-UHFFFAOYSA-N 2 0 342.487 2.448 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001660665720 1354512449 /nfs/dbraw/zinc/51/24/49/1354512449.db2.gz MCQUIFGKZZDADM-LPHOPBHVSA-N 2 0 345.487 2.049 10 0 EEAERP CCCCOCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001660794590 1354540034 /nfs/dbraw/zinc/54/00/34/1354540034.db2.gz RKTYKUYZQIVETF-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001661213265 1354608682 /nfs/dbraw/zinc/60/86/82/1354608682.db2.gz OHSJJXOSTYJORR-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001661496004 1354645756 /nfs/dbraw/zinc/64/57/56/1354645756.db2.gz KXZLYMCXOPEPLI-WDSOQIARSA-N 2 0 347.478 2.337 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCOc3ccccc3)C2)C1 ZINC001661685913 1354672232 /nfs/dbraw/zinc/67/22/32/1354672232.db2.gz BOECDZWUHYLDME-OKZBNKHCSA-N 2 0 345.487 2.034 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001661823775 1354703853 /nfs/dbraw/zinc/70/38/53/1354703853.db2.gz YCDMMSZCRYMEPI-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCC([NH2+]CCCOC)CC2)C1 ZINC001662126094 1354752753 /nfs/dbraw/zinc/75/27/53/1354752753.db2.gz FMPJLUXREDIDCO-AOCRQIFASA-N 2 0 339.524 2.162 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001664018546 1355075128 /nfs/dbraw/zinc/07/51/28/1355075128.db2.gz SQCFHBJEFCSODL-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001665738557 1355379128 /nfs/dbraw/zinc/37/91/28/1355379128.db2.gz WCWSAGQBTWWMEP-INIZCTEOSA-N 2 0 325.472 2.145 10 0 EEAERP c1cc(OCCN2CCOCC2)ccc1C[NH2+]CCC1CSC1 ZINC001665937134 1355412350 /nfs/dbraw/zinc/41/23/50/1355412350.db2.gz MPMXUZSRSPAVNC-UHFFFAOYSA-N 2 0 336.501 2.240 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001666115596 1355456228 /nfs/dbraw/zinc/45/62/28/1355456228.db2.gz SJSYFTMNIDDHQS-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001666983344 1355627275 /nfs/dbraw/zinc/62/72/75/1355627275.db2.gz ZFLHTFVHAWWTIH-QGZVFWFLSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001666991436 1355628646 /nfs/dbraw/zinc/62/86/46/1355628646.db2.gz CHPJUTPQONPPBS-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667033371 1355636629 /nfs/dbraw/zinc/63/66/29/1355636629.db2.gz LHEJPWJFASRYMR-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001667216329 1355676043 /nfs/dbraw/zinc/67/60/43/1355676043.db2.gz GJHYFWMPVZHIHO-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccon1 ZINC001667279853 1355697171 /nfs/dbraw/zinc/69/71/71/1355697171.db2.gz ZKLKNLSXLPLPNG-SJORKVTESA-N 2 0 334.464 2.020 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001667998572 1355844550 /nfs/dbraw/zinc/84/45/50/1355844550.db2.gz CUKYVIMSTCZSTR-BLLLJJGKSA-N 2 0 325.403 2.043 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112516 1355874654 /nfs/dbraw/zinc/87/46/54/1355874654.db2.gz GSIDUCBCPKESPV-GDBMZVCRSA-N 2 0 336.480 2.267 10 0 EEAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2)ccc2c[nH+]cn21 ZINC001668118328 1355876751 /nfs/dbraw/zinc/87/67/51/1355876751.db2.gz RNTQHVXCMALFCO-CQSZACIVSA-N 2 0 337.427 2.336 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001668278255 1355914155 /nfs/dbraw/zinc/91/41/55/1355914155.db2.gz DUGRMFMMWJDIFM-AWEZNQCLSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310719 1355921547 /nfs/dbraw/zinc/92/15/47/1355921547.db2.gz YNYBSGXIJMUPEA-SJLPKXTDSA-N 2 0 347.503 2.410 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001668324758 1355923487 /nfs/dbraw/zinc/92/34/87/1355923487.db2.gz DPGYSHKVBHRSPE-VQIMIIECSA-N 2 0 347.503 2.038 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863974 1356026380 /nfs/dbraw/zinc/02/63/80/1356026380.db2.gz BETMAUSQWAUKSB-WRFKIARRSA-N 2 0 346.475 2.152 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]C[C@H]2CCCOC2)cc1 ZINC001669091424 1356091007 /nfs/dbraw/zinc/09/10/07/1356091007.db2.gz LGFYYQHSCYYZRB-DDKKJVIOSA-N 2 0 345.487 2.050 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001669137565 1356103554 /nfs/dbraw/zinc/10/35/54/1356103554.db2.gz CVFCXUVGOIFFKF-VNHAASDWSA-N 2 0 343.462 2.416 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)C1 ZINC001669140431 1356105213 /nfs/dbraw/zinc/10/52/13/1356105213.db2.gz ZHCZBKNWFWNTTL-PUWCWTCHSA-N 2 0 335.414 2.321 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]Cc2cccc(F)c2)CC1 ZINC001670291730 1356312569 /nfs/dbraw/zinc/31/25/69/1356312569.db2.gz WDDGICSIBCKATR-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)oc1C ZINC001670353233 1356325897 /nfs/dbraw/zinc/32/58/97/1356325897.db2.gz RXVRWIMIKMMQOT-OKILXGFUSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001675868151 1357059130 /nfs/dbraw/zinc/05/91/30/1357059130.db2.gz ACSJSFNLXUABLW-KDOFPFPSSA-N 2 0 332.492 2.167 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001698858868 1405114926 /nfs/dbraw/zinc/11/49/26/1405114926.db2.gz WFDFPJJXQUCVTD-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698860362 1405116941 /nfs/dbraw/zinc/11/69/41/1405116941.db2.gz NABCROOUVGIIIE-DOTOQJQBSA-N 2 0 335.467 2.147 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001699855082 1405529368 /nfs/dbraw/zinc/52/93/68/1405529368.db2.gz ZENCUPVQNWXLNP-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000921175577 770987513 /nfs/dbraw/zinc/98/75/13/770987513.db2.gz ZORFBBMFYODMSL-WQVCFCJDSA-N 2 0 338.883 2.335 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809628378 783252052 /nfs/dbraw/zinc/25/20/52/783252052.db2.gz WEVLIHASMJBREP-UHFFFAOYSA-N 2 0 325.478 2.399 10 0 EEAERP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918205 788475916 /nfs/dbraw/zinc/47/59/16/788475916.db2.gz AYAPZBLSZOPCSD-IBGZPJMESA-N 2 0 327.472 2.205 10 0 EEAERP C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711277977 788584852 /nfs/dbraw/zinc/58/48/52/788584852.db2.gz CZTJYKXEBXBQRY-WMZOPIPTSA-N 2 0 329.488 2.355 10 0 EEAERP O=c1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc[nH]1 ZINC000921524962 788828177 /nfs/dbraw/zinc/82/81/77/788828177.db2.gz NETHDQDAZAUIOJ-UHFFFAOYSA-N 2 0 340.471 2.085 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000844174546 788886756 /nfs/dbraw/zinc/88/67/56/788886756.db2.gz KKWNIDPNQXUVMJ-QLFBSQMISA-N 2 0 336.867 2.176 10 0 EEAERP OCCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCc2ccccc21 ZINC000923318454 789361287 /nfs/dbraw/zinc/36/12/87/789361287.db2.gz ZTRQERTUBMCNTD-PKOBYXMFSA-N 2 0 330.472 2.127 10 0 EEAERP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923457324 789573539 /nfs/dbraw/zinc/57/35/39/789573539.db2.gz TYSARKJMBITQCZ-AEFFLSMTSA-N 2 0 345.487 2.258 10 0 EEAERP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1F ZINC000923452540 789584633 /nfs/dbraw/zinc/58/46/33/789584633.db2.gz HJJHYTLGIYOWSP-ZBFHGGJFSA-N 2 0 349.450 2.291 10 0 EEAERP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923502473 789667328 /nfs/dbraw/zinc/66/73/28/789667328.db2.gz ZPGMNIJNVKLLCE-QFBILLFUSA-N 2 0 331.504 2.385 10 0 EEAERP Cc1csc(C[C@@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000923550324 789764624 /nfs/dbraw/zinc/76/46/24/789764624.db2.gz BBAXQXPIRXDJNU-BZSNNMDCSA-N 2 0 345.512 2.247 10 0 EEAERP C[C@]1(CNC(=O)NCCC2(C[NH3+])CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000846166317 790068775 /nfs/dbraw/zinc/06/87/75/790068775.db2.gz VHIMAANUPGMIDY-LJQANCHMSA-N 2 0 344.503 2.327 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913823271 794347154 /nfs/dbraw/zinc/34/71/54/794347154.db2.gz ATITXZSQTGQVMI-BPQIPLTHSA-N 2 0 330.476 2.215 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000914074670 794831432 /nfs/dbraw/zinc/83/14/32/794831432.db2.gz KCVCFKNHZAIMCW-SFHVURJKSA-N 2 0 347.507 2.106 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000922854903 802069167 /nfs/dbraw/zinc/06/91/67/802069167.db2.gz ZAKFBKCWCCLKQA-FUHWJXTLSA-N 2 0 347.507 2.106 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001566071987 1125545361 /nfs/dbraw/zinc/54/53/61/1125545361.db2.gz PHSTWWHKFBVUHO-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOCC(C)C)C1)[NH+](C)C ZINC001566075234 1125547682 /nfs/dbraw/zinc/54/76/82/1125547682.db2.gz JDTLFNUKUMKOAM-ROUUACIJSA-N 2 0 341.540 2.360 10 0 EEAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001566473338 1125634012 /nfs/dbraw/zinc/63/40/12/1125634012.db2.gz KKHYXOAIZHRHEN-OAHLLOKOSA-N 2 0 329.448 2.365 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H]1CCOC1 ZINC001436494685 1087998548 /nfs/dbraw/zinc/99/85/48/1087998548.db2.gz VERJFKWTJLGPPI-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH]cn3)C2)c1 ZINC001436895251 1088545914 /nfs/dbraw/zinc/54/59/14/1088545914.db2.gz NCMHWWNWMZEKGY-WKILWMFISA-N 2 0 330.407 2.227 10 0 EEAERP Cc1cnc([C@@H](C)[NH+]2CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001437001042 1088755310 /nfs/dbraw/zinc/75/53/10/1088755310.db2.gz IRKLWKXYYIMYJN-IAGOWNOFSA-N 2 0 347.507 2.014 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2cncs2)C1 ZINC001437067101 1088992577 /nfs/dbraw/zinc/99/25/77/1088992577.db2.gz QQBVWEIHZQZPGA-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@H](F)CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001437088450 1089038768 /nfs/dbraw/zinc/03/87/68/1089038768.db2.gz LJQYZYJOTQMXBC-OOHWJJMZSA-N 2 0 327.488 2.483 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001437202462 1089266580 /nfs/dbraw/zinc/26/65/80/1089266580.db2.gz KRTGPRRHSXFINJ-MJGOQNOKSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437261831 1089405622 /nfs/dbraw/zinc/40/56/22/1089405622.db2.gz DUKFZBPXPHGZOF-XJKSGUPXSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001437308988 1089466087 /nfs/dbraw/zinc/46/60/87/1089466087.db2.gz ZZVIYMMYFFCECT-GJZGRUSLSA-N 2 0 345.422 2.067 10 0 EEAERP COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001437323160 1089486644 /nfs/dbraw/zinc/48/66/44/1089486644.db2.gz ICJYHMQIHOMSQU-SFHVURJKSA-N 2 0 347.503 2.282 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001437429182 1089726958 /nfs/dbraw/zinc/72/69/58/1089726958.db2.gz SUDLGHIDRZGLHK-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP Cc1ccc(CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001437500375 1089884831 /nfs/dbraw/zinc/88/48/31/1089884831.db2.gz ZOAJJVUVBBCULU-UHFFFAOYSA-N 2 0 331.504 2.460 10 0 EEAERP CC1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001437539860 1089988493 /nfs/dbraw/zinc/98/84/93/1089988493.db2.gz QUMGVXQJFONGCL-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1CC)[C@H](C)c1cnc(C)cn1 ZINC001437647339 1090168644 /nfs/dbraw/zinc/16/86/44/1090168644.db2.gz ATAAXENCIKUEPM-SJLPKXTDSA-N 2 0 347.507 2.159 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCc1ccccc1F ZINC001437693372 1090236849 /nfs/dbraw/zinc/23/68/49/1090236849.db2.gz FSDBOJNPRVWIHT-QGZVFWFLSA-N 2 0 335.467 2.289 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](C[C@@H]2CCC(F)(F)C2)C2CC2)C1 ZINC001437818567 1090412083 /nfs/dbraw/zinc/41/20/83/1090412083.db2.gz VMNKLGKJMZWVFR-HUUCEWRRSA-N 2 0 343.462 2.344 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC001437867158 1090446619 /nfs/dbraw/zinc/44/66/19/1090446619.db2.gz CHPZDPBNMJMNPA-RBUKOAKNSA-N 2 0 345.487 2.098 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437948963 1090546200 /nfs/dbraw/zinc/54/62/00/1090546200.db2.gz XAQMTKCUILSHNC-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001438273293 1090758378 /nfs/dbraw/zinc/75/83/78/1090758378.db2.gz SNZAYYJTGOCMHS-HZPDHXFCSA-N 2 0 343.462 2.440 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C)nc1C ZINC001438323883 1090797783 /nfs/dbraw/zinc/79/77/83/1090797783.db2.gz CMIYQZUMHUDCJY-SFHVURJKSA-N 2 0 332.492 2.025 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)nc1 ZINC001438335838 1090810574 /nfs/dbraw/zinc/81/05/74/1090810574.db2.gz ACUBYGADLLZCLG-MAUKXSAKSA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(F)cccc1F ZINC001438335997 1090811456 /nfs/dbraw/zinc/81/14/56/1090811456.db2.gz DXIZAYMMJLHAQA-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1ccc(Cl)cc1 ZINC001438369733 1090847172 /nfs/dbraw/zinc/84/71/72/1090847172.db2.gz PKRDEJLUXRGFLU-KRWDZBQOSA-N 2 0 337.895 2.463 10 0 EEAERP C[C@](C[NH2+]CC1CC(F)(F)C1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438429726 1090928447 /nfs/dbraw/zinc/92/84/47/1090928447.db2.gz UTDMYEBCQYJXRH-MRXNPFEDSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)no1 ZINC001438434933 1090936100 /nfs/dbraw/zinc/93/61/00/1090936100.db2.gz ZQNLBYOVSGTJLQ-KSSFIOAISA-N 2 0 336.480 2.089 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001438453065 1090960410 /nfs/dbraw/zinc/96/04/10/1090960410.db2.gz XOEMLIKJSLVWHB-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC[C@@H](C)F)C2)CC1 ZINC001438465151 1090971504 /nfs/dbraw/zinc/97/15/04/1090971504.db2.gz UAVWXLHKMXZXIL-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438521014 1091013447 /nfs/dbraw/zinc/01/34/47/1091013447.db2.gz OKZLBBFLFZADES-CQSZACIVSA-N 2 0 348.491 2.268 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001438710007 1091223801 /nfs/dbraw/zinc/22/38/01/1091223801.db2.gz PBXNXZRVWNBKSZ-BXUZGUMPSA-N 2 0 326.510 2.037 10 0 EEAERP Cc1nc(CNC[C@H](C)N(C)C(=O)[C@H](c2ccccc2)N(C)C)co1 ZINC001438709824 1091223921 /nfs/dbraw/zinc/22/39/21/1091223921.db2.gz BXSSRRHPEBHXOL-KSSFIOAISA-N 2 0 344.459 2.222 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001438764510 1091339430 /nfs/dbraw/zinc/33/94/30/1091339430.db2.gz FCNLJWPQIJJRPX-MAUKXSAKSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(C)s1 ZINC001438775659 1091366522 /nfs/dbraw/zinc/36/65/22/1091366522.db2.gz QAXZLNZBMZFIPK-WFASDCNBSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N(C)CCN(C)Cc2ncccc2C)cn1 ZINC001438887192 1091530315 /nfs/dbraw/zinc/53/03/15/1091530315.db2.gz ADVZWAKLGUDYEV-UHFFFAOYSA-N 2 0 343.475 2.220 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(OC)c2)C1 ZINC001439146074 1091788296 /nfs/dbraw/zinc/78/82/96/1091788296.db2.gz BXQBJPDCYYTABD-AEFFLSMTSA-N 2 0 347.503 2.412 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001445954465 1091898962 /nfs/dbraw/zinc/89/89/62/1091898962.db2.gz CFSNYZSGFPYDQD-MSOLQXFVSA-N 2 0 348.466 2.080 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001439322626 1091998631 /nfs/dbraw/zinc/99/86/31/1091998631.db2.gz FQHPFLFRHYERNY-AEFFLSMTSA-N 2 0 332.492 2.199 10 0 EEAERP CCc1ccccc1CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001446064231 1092077510 /nfs/dbraw/zinc/07/75/10/1092077510.db2.gz NYTJTMYFTSOQAK-RBUKOAKNSA-N 2 0 331.504 2.322 10 0 EEAERP O=C(NCC1([NH2+]C[C@H]2CCOC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001439632886 1092551925 /nfs/dbraw/zinc/55/19/25/1092551925.db2.gz CQPNRNOANVPXHA-AEFFLSMTSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)[NH+]1CCCCC1 ZINC001439674522 1092615615 /nfs/dbraw/zinc/61/56/15/1092615615.db2.gz GKPXYZYOVGTKGH-CVEARBPZSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)sn1 ZINC001439679874 1092621097 /nfs/dbraw/zinc/62/10/97/1092621097.db2.gz YCBKUIKAWMNFQS-OKILXGFUSA-N 2 0 336.505 2.063 10 0 EEAERP CCCC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001439696534 1092648397 /nfs/dbraw/zinc/64/83/97/1092648397.db2.gz PGPPEFJKJLOHBR-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C)CCN(Cc3cncc(F)c3)CC2)C1 ZINC001439797959 1092754729 /nfs/dbraw/zinc/75/47/29/1092754729.db2.gz APWLAHGIOYMNMK-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001439946570 1093058625 /nfs/dbraw/zinc/05/86/25/1093058625.db2.gz CMJZVMGWDDWYFT-QGZVFWFLSA-N 2 0 343.462 2.346 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCC2CC2)CCC1(F)F ZINC001439971822 1093087971 /nfs/dbraw/zinc/08/79/71/1093087971.db2.gz HCYWIYAEHZORFF-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cnccc1C)C2 ZINC001440106578 1093167057 /nfs/dbraw/zinc/16/70/57/1093167057.db2.gz FGABIDQZJLOJLO-WDSOQIARSA-N 2 0 344.503 2.201 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001440136511 1093202473 /nfs/dbraw/zinc/20/24/73/1093202473.db2.gz QTOXDUOCSPXZAO-WBVHZDCISA-N 2 0 335.467 2.270 10 0 EEAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001440150462 1093210483 /nfs/dbraw/zinc/21/04/83/1093210483.db2.gz OPDZEBPPLPDJTP-TWMKSMIVSA-N 2 0 327.488 2.245 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C/C=C/Cl)CC1 ZINC001440195173 1093263114 /nfs/dbraw/zinc/26/31/14/1093263114.db2.gz QFYXQBSSXNSPMR-KCAOKQCMSA-N 2 0 325.884 2.146 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1C[C@@H]1CCC(F)(F)C1 ZINC001440243362 1093332380 /nfs/dbraw/zinc/33/23/80/1093332380.db2.gz ARJWLJLRTKBIAD-CABCVRRESA-N 2 0 331.451 2.296 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CCc2ccccc2)CC1(C)C)[NH+](C)C ZINC001448395754 1093393176 /nfs/dbraw/zinc/39/31/76/1093393176.db2.gz HDJHISNZOSXGBF-ROUUACIJSA-N 2 0 331.504 2.396 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2C1 ZINC001448464584 1093474842 /nfs/dbraw/zinc/47/48/42/1093474842.db2.gz AIMMNFLTVWQHQM-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001440351129 1093504019 /nfs/dbraw/zinc/50/40/19/1093504019.db2.gz UVYPGVJZFZWZKE-KOMQPUFPSA-N 2 0 329.444 2.369 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001440354042 1093508605 /nfs/dbraw/zinc/50/86/05/1093508605.db2.gz AHMNGQPSGJOHMK-HYLXBKALSA-N 2 0 325.884 2.240 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)n1 ZINC001440357322 1093513944 /nfs/dbraw/zinc/51/39/44/1093513944.db2.gz OEILQJIEJCYIHG-LSBZLQRGSA-N 2 0 344.503 2.025 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001440364105 1093529868 /nfs/dbraw/zinc/52/98/68/1093529868.db2.gz WUMQLYIIBBVWOF-YLGZPNTESA-N 2 0 327.900 2.344 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001440390482 1093566411 /nfs/dbraw/zinc/56/64/11/1093566411.db2.gz FXKSJKCUMCESHM-GOSISDBHSA-N 2 0 349.523 2.195 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001440447181 1093657731 /nfs/dbraw/zinc/65/77/31/1093657731.db2.gz FXFZGINADLARFQ-FGTMMUONSA-N 2 0 339.499 2.247 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001440469876 1093695013 /nfs/dbraw/zinc/69/50/13/1093695013.db2.gz SDRBOQCSOODCGM-RTBURBONSA-N 2 0 346.519 2.482 10 0 EEAERP O=C(CCCF)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001440487009 1093720786 /nfs/dbraw/zinc/72/07/86/1093720786.db2.gz WLOXOUOEVVHGOM-HDICACEKSA-N 2 0 337.483 2.286 10 0 EEAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC(F)(F)C1 ZINC001448683314 1093748646 /nfs/dbraw/zinc/74/86/46/1093748646.db2.gz PYJCGLBSDQSHNJ-CQSZACIVSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001448707678 1093775641 /nfs/dbraw/zinc/77/56/41/1093775641.db2.gz HWEXCUWUDKVXSM-AGIUHOORSA-N 2 0 336.307 2.472 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCOC)CC(C)(C)C1)[NH+](CC)CC ZINC001440527959 1093783066 /nfs/dbraw/zinc/78/30/66/1093783066.db2.gz BSFXIPFKZGMDPF-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001448778748 1093857767 /nfs/dbraw/zinc/85/77/67/1093857767.db2.gz WRCGKBNWXFUFCE-FUHWJXTLSA-N 2 0 343.515 2.454 10 0 EEAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001440765645 1094005723 /nfs/dbraw/zinc/00/57/23/1094005723.db2.gz QRGRZNLJMSMHHC-JMLCCBQJSA-N 2 0 327.488 2.339 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001440835150 1094088228 /nfs/dbraw/zinc/08/82/28/1094088228.db2.gz MDYFKRUSOGNUSX-CHWSQXEVSA-N 2 0 327.419 2.289 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)C1 ZINC001449078105 1094092497 /nfs/dbraw/zinc/09/24/97/1094092497.db2.gz AXAURAJJAOZQME-STQMWFEESA-N 2 0 335.414 2.107 10 0 EEAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@H]1CCn2cncc2C1 ZINC001449255312 1094203374 /nfs/dbraw/zinc/20/33/74/1094203374.db2.gz XDSHKKQTOHXLNB-KRWDZBQOSA-N 2 0 332.492 2.414 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC001441040322 1094333968 /nfs/dbraw/zinc/33/39/68/1094333968.db2.gz HFYSPKJNXDZPGA-SJORKVTESA-N 2 0 347.507 2.159 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC001441107163 1094417294 /nfs/dbraw/zinc/41/72/94/1094417294.db2.gz HXVYOKPFRPWALG-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001441198166 1094557878 /nfs/dbraw/zinc/55/78/78/1094557878.db2.gz FIXBYDAETZOYMQ-MSOLQXFVSA-N 2 0 348.466 2.080 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001441198172 1094558082 /nfs/dbraw/zinc/55/80/82/1094558082.db2.gz FIXBYDAETZOYMQ-ZWKOTPCHSA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC001441371504 1094901778 /nfs/dbraw/zinc/90/17/78/1094901778.db2.gz SNFIHLZYDKGWLK-JOCQHMNTSA-N 2 0 341.858 2.415 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001441543451 1095262485 /nfs/dbraw/zinc/26/24/85/1095262485.db2.gz WFGIJMVPKALEPV-BETUJISGSA-N 2 0 334.291 2.418 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccncc1Cl ZINC001441551066 1095283258 /nfs/dbraw/zinc/28/32/58/1095283258.db2.gz UWILFDCPOBDPLH-XJKSGUPXSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001441837360 1095905723 /nfs/dbraw/zinc/90/57/23/1095905723.db2.gz PBCZJKFRRZDISC-QAPCUYQASA-N 2 0 332.492 2.118 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccnc1C)CC2)[NH+](C)C ZINC001441875118 1095993317 /nfs/dbraw/zinc/99/33/17/1095993317.db2.gz TZARGFNPIHKLBQ-HBFSDRIKSA-N 2 0 344.503 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2c(C)nsc2C)C1 ZINC001442158479 1096414891 /nfs/dbraw/zinc/41/48/91/1096414891.db2.gz PAQCYTOUOKJAKL-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001442268572 1096573348 /nfs/dbraw/zinc/57/33/48/1096573348.db2.gz NNOJGZYJCTXXBC-MRXNPFEDSA-N 2 0 325.472 2.191 10 0 EEAERP CCc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c1 ZINC001442423917 1096748470 /nfs/dbraw/zinc/74/84/70/1096748470.db2.gz XJFLGDDNKTUHSL-IAGOWNOFSA-N 2 0 326.444 2.324 10 0 EEAERP Cc1cc(CN(C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)sn1 ZINC001442555645 1096919062 /nfs/dbraw/zinc/91/90/62/1096919062.db2.gz XZXNWHHBEVTVNP-GDBMZVCRSA-N 2 0 336.505 2.016 10 0 EEAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCC(F)(F)CC1 ZINC001442571866 1096936079 /nfs/dbraw/zinc/93/60/79/1096936079.db2.gz GQJSESHFKFXRTC-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001442799201 1097179692 /nfs/dbraw/zinc/17/96/92/1097179692.db2.gz JGUZXEYIEHGEMY-IBGZPJMESA-N 2 0 346.519 2.175 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1)[NH+](C)C ZINC001443713481 1098217343 /nfs/dbraw/zinc/21/73/43/1098217343.db2.gz SQLXHSMIPKFUBA-QLFBSQMISA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccc(F)c1F ZINC001444026500 1098544406 /nfs/dbraw/zinc/54/44/06/1098544406.db2.gz CUDNXZZCOIYWBY-CQSZACIVSA-N 2 0 327.419 2.289 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001444032313 1098551887 /nfs/dbraw/zinc/55/18/87/1098551887.db2.gz JAGWKUKOWONIRY-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001479486839 1098561040 /nfs/dbraw/zinc/56/10/40/1098561040.db2.gz LIRUDDCABNYEQL-YQQAZPJKSA-N 2 0 335.517 2.464 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001444180505 1098732332 /nfs/dbraw/zinc/73/23/32/1098732332.db2.gz VVBMDPYBVAFOJM-KKUMJFAQSA-N 2 0 347.425 2.298 10 0 EEAERP C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479772843 1098944629 /nfs/dbraw/zinc/94/46/29/1098944629.db2.gz ZGPIAYLLFKAZPO-FMSOUQGNSA-N 2 0 341.499 2.480 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001444408130 1099014948 /nfs/dbraw/zinc/01/49/48/1099014948.db2.gz OIKCZMVIRQVZQK-ZDUSSCGKSA-N 2 0 341.858 2.417 10 0 EEAERP COCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479828818 1099109524 /nfs/dbraw/zinc/10/95/24/1099109524.db2.gz FGTIJMRPJGWPIS-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCOC(C)C)CC2)[NH+](C)C ZINC001479986504 1099446052 /nfs/dbraw/zinc/44/60/52/1099446052.db2.gz LCOTXPNCMZSMNJ-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001444635543 1099462267 /nfs/dbraw/zinc/46/22/67/1099462267.db2.gz ZIFCXZQIOIWSDO-GJZGRUSLSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001444637416 1099465043 /nfs/dbraw/zinc/46/50/43/1099465043.db2.gz QILOVEFRMNCJRH-KGLIPLIRSA-N 2 0 333.411 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001480022792 1099502989 /nfs/dbraw/zinc/50/29/89/1099502989.db2.gz ACJFSMGVJCTLBX-CVEARBPZSA-N 2 0 343.462 2.391 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCOc1ccccc1)C1CC1 ZINC001480027973 1099513632 /nfs/dbraw/zinc/51/36/32/1099513632.db2.gz IRQYECHGFGPDFS-RBUKOAKNSA-N 2 0 345.487 2.034 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001480047420 1099552593 /nfs/dbraw/zinc/55/25/93/1099552593.db2.gz RSCOODLENWWTIR-RDTXWAMCSA-N 2 0 333.451 2.152 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001480179579 1099764185 /nfs/dbraw/zinc/76/41/85/1099764185.db2.gz LALNXXWDZCRFEZ-NPYXIHBLSA-N 2 0 327.488 2.434 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(F)c3F)C2)CCC1 ZINC001480208084 1099814088 /nfs/dbraw/zinc/81/40/88/1099814088.db2.gz NDFYBRWOZAYRLY-OKILXGFUSA-N 2 0 337.414 2.186 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001480294911 1100009278 /nfs/dbraw/zinc/00/92/78/1100009278.db2.gz RPXGAWGKBLFMCH-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21)CC(C)(C)C ZINC001480394844 1100202705 /nfs/dbraw/zinc/20/27/05/1100202705.db2.gz PHNJPBVPOKTCGD-KLTZCBCKSA-N 2 0 347.547 2.447 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21 ZINC001480396924 1100206552 /nfs/dbraw/zinc/20/65/52/1100206552.db2.gz LJBXILPPJBTSKT-ADVTYMQISA-N 2 0 325.884 2.051 10 0 EEAERP O=C(NC1CCC([NH2+]CCCCCF)CC1)C12CC[NH+](CC1)C2 ZINC001480410767 1100227016 /nfs/dbraw/zinc/22/70/16/1100227016.db2.gz WKPSCGJHZATWCO-UHFFFAOYSA-N 2 0 325.472 2.239 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001480481274 1100290286 /nfs/dbraw/zinc/29/02/86/1100290286.db2.gz WYDGJRGGGYBHAY-RDJZCZTQSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001480492470 1100304736 /nfs/dbraw/zinc/30/47/36/1100304736.db2.gz KTKNSCDTTMMCCD-ZBFHGGJFSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001480591630 1100440098 /nfs/dbraw/zinc/44/00/98/1100440098.db2.gz LTWOWZQUYWBZPI-RDTXWAMCSA-N 2 0 333.451 2.393 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(OC)c1C ZINC001495108561 1100761642 /nfs/dbraw/zinc/76/16/42/1100761642.db2.gz NTUBZXOAKDBLKO-QGZVFWFLSA-N 2 0 333.476 2.084 10 0 EEAERP C[C@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCCC1 ZINC001496228720 1100786717 /nfs/dbraw/zinc/78/67/17/1100786717.db2.gz CQRQTXFHPYXIDQ-OAHLLOKOSA-N 2 0 329.444 2.465 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nc(C)sc1C ZINC001495138179 1100808771 /nfs/dbraw/zinc/80/87/71/1100808771.db2.gz LZSFRGGHZDCLTG-AWEZNQCLSA-N 2 0 326.510 2.085 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001496276326 1100856328 /nfs/dbraw/zinc/85/63/28/1100856328.db2.gz QOOQFZVXDPUVBA-GVDBMIGSSA-N 2 0 341.459 2.229 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001495355024 1101067457 /nfs/dbraw/zinc/06/74/57/1101067457.db2.gz CJBCBJJRCHDLPH-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001446581473 1101070840 /nfs/dbraw/zinc/07/08/40/1101070840.db2.gz XSYZECQMYUVWAE-GDBMZVCRSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1oncc1C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001446618519 1101123735 /nfs/dbraw/zinc/12/37/35/1101123735.db2.gz VLHQQVPMHDHQRC-IBGZPJMESA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ncc(C)o2)CC1)[NH+](C)C ZINC001495433465 1101150854 /nfs/dbraw/zinc/15/08/54/1101150854.db2.gz ZRCZZAQLZWUWIW-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]Cc1c(F)cccc1F ZINC001495743184 1101514516 /nfs/dbraw/zinc/51/45/16/1101514516.db2.gz NCWCCFGHBRPCGZ-KGLIPLIRSA-N 2 0 339.430 2.149 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC(F)(F)F)C2 ZINC001446924387 1101602451 /nfs/dbraw/zinc/60/24/51/1101602451.db2.gz MXQKMBIRNLJQME-MJBXVCDLSA-N 2 0 335.414 2.250 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001446941328 1101629073 /nfs/dbraw/zinc/62/90/73/1101629073.db2.gz MDFVYTDPDCUXMP-SNSDMREKSA-N 2 0 334.291 2.085 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001495813125 1101630549 /nfs/dbraw/zinc/63/05/49/1101630549.db2.gz LMRLDBNCURDNSW-SUMWQHHRSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001446948664 1101642089 /nfs/dbraw/zinc/64/20/89/1101642089.db2.gz YJDZRPUZOAFXPS-MSSSOJMCSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496028725 1101952737 /nfs/dbraw/zinc/95/27/37/1101952737.db2.gz SXKMWNRNCBDKEL-YJBOKZPZSA-N 2 0 335.467 2.289 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1c(C)noc1C)CC2 ZINC001447101274 1101994163 /nfs/dbraw/zinc/99/41/63/1101994163.db2.gz OXABADFCMQVFPU-UHFFFAOYSA-N 2 0 348.491 2.058 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001496099713 1102061199 /nfs/dbraw/zinc/06/11/99/1102061199.db2.gz WVCJGAYAQLOGDU-LBPRGKRZSA-N 2 0 341.415 2.189 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001497325177 1102327757 /nfs/dbraw/zinc/32/77/57/1102327757.db2.gz YJUJJCVUSZCADM-CABCVRRESA-N 2 0 331.451 2.392 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497501402 1102590151 /nfs/dbraw/zinc/59/01/51/1102590151.db2.gz UUBPBNQCOBWTSR-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP CCC1([NH2+]Cc2ocnc2C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001447414318 1102611765 /nfs/dbraw/zinc/61/17/65/1102611765.db2.gz PHLZKFOOPUTQAD-MRXNPFEDSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001497549294 1102651629 /nfs/dbraw/zinc/65/16/29/1102651629.db2.gz OOPASBBKVOFDDW-XDXAGZTOSA-N 2 0 345.487 2.038 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001497580673 1102695162 /nfs/dbraw/zinc/69/51/62/1102695162.db2.gz WRMTUMIVCZXUDE-SDKBWNRFSA-N 2 0 337.508 2.080 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001497585931 1102703224 /nfs/dbraw/zinc/70/32/24/1102703224.db2.gz OJQVJBOCYXHGAN-ZYHOBAKYSA-N 2 0 329.488 2.487 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccn1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497595933 1102723334 /nfs/dbraw/zinc/72/33/34/1102723334.db2.gz HRGVAFCNFAIKID-VOFKWLDRSA-N 2 0 342.487 2.251 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCCCF ZINC001493919101 1103117342 /nfs/dbraw/zinc/11/73/42/1103117342.db2.gz JLQKXESMAAZWRF-IXDOHACOSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001497816827 1103145023 /nfs/dbraw/zinc/14/50/23/1103145023.db2.gz DKBRIMUTQVUELO-APWZRJJASA-N 2 0 329.488 2.240 10 0 EEAERP CCOC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001447767405 1103269266 /nfs/dbraw/zinc/26/92/66/1103269266.db2.gz ITLQOOWXTJGQFR-ADKAHSJRSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001497905972 1103294507 /nfs/dbraw/zinc/29/45/07/1103294507.db2.gz VIBZIHPNAJJOMO-MBOZVWFJSA-N 2 0 345.531 2.472 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC2CC(NC(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC001447797349 1103357652 /nfs/dbraw/zinc/35/76/52/1103357652.db2.gz JEAYKPSJYZWMGT-NFOMZHRRSA-N 2 0 334.464 2.013 10 0 EEAERP COC[C@H](C)[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001447799919 1103360799 /nfs/dbraw/zinc/36/07/99/1103360799.db2.gz OBWBWBSADBZYKK-GTPINHCMSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001494074259 1103476637 /nfs/dbraw/zinc/47/66/37/1103476637.db2.gz PWNFDZNFMQGSCC-MRXNPFEDSA-N 2 0 347.528 2.481 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001447892443 1103531233 /nfs/dbraw/zinc/53/12/33/1103531233.db2.gz BZWWFUMPYRDOMU-HUUCEWRRSA-N 2 0 332.492 2.023 10 0 EEAERP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001448221975 1104206370 /nfs/dbraw/zinc/20/63/70/1104206370.db2.gz QMVMIUFNMBTCCM-DLBZAZTESA-N 2 0 339.499 2.485 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CCOC1CCC1 ZINC001448262710 1104271981 /nfs/dbraw/zinc/27/19/81/1104271981.db2.gz SUXFWNSFRBAQOM-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1C ZINC001494732741 1104314387 /nfs/dbraw/zinc/31/43/87/1104314387.db2.gz JPIVIVWZWOHPDS-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP CCc1nocc1CN1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001494861259 1104465610 /nfs/dbraw/zinc/46/56/10/1104465610.db2.gz ATCAWDCGNYCZPV-INIZCTEOSA-N 2 0 336.480 2.002 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001494909313 1104543401 /nfs/dbraw/zinc/54/34/01/1104543401.db2.gz FWFADPSLGDUQTE-SJLPKXTDSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@H]([NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001498160359 1107003630 /nfs/dbraw/zinc/00/36/30/1107003630.db2.gz LORYIRFBLYPUDU-YOEHRIQHSA-N 2 0 333.451 2.467 10 0 EEAERP Cc1ccc2sc(C[NH2+]C[C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)nc2c1 ZINC001498190954 1107053029 /nfs/dbraw/zinc/05/30/29/1107053029.db2.gz YLUWIBLNVBWYII-KBPBESRZSA-N 2 0 346.500 2.151 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001480808502 1107154984 /nfs/dbraw/zinc/15/49/84/1107154984.db2.gz KTWWPIVVLZUQFP-TZMCWYRMSA-N 2 0 341.858 2.415 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498549030 1107702816 /nfs/dbraw/zinc/70/28/16/1107702816.db2.gz BIEAZPLBOAIMAP-IBGZPJMESA-N 2 0 329.488 2.009 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001498657139 1107907598 /nfs/dbraw/zinc/90/75/98/1107907598.db2.gz GGZWLYRXMRFPDY-UHFFFAOYSA-N 2 0 336.480 2.106 10 0 EEAERP O=C(NCC[N@H+](Cc1ccccc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001493372840 1108009167 /nfs/dbraw/zinc/00/91/67/1108009167.db2.gz RCXJBAHPMAGNEP-IBGZPJMESA-N 2 0 327.472 2.109 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001493807222 1108687272 /nfs/dbraw/zinc/68/72/72/1108687272.db2.gz XQIKQKVCEVXHRV-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001493827670 1108709661 /nfs/dbraw/zinc/70/96/61/1108709661.db2.gz PIDKXDDAUOJGQI-HYVNUMGLSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001493827838 1108710011 /nfs/dbraw/zinc/71/00/11/1108710011.db2.gz QFZAEUNMPQSYIQ-TUJXKBNUSA-N 2 0 327.900 2.296 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@@H]1[NH+](C)C ZINC001457737742 1109749140 /nfs/dbraw/zinc/74/91/40/1109749140.db2.gz BTDUXLOMANUVBT-FJIDUMEYSA-N 2 0 347.528 2.183 10 0 EEAERP Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001479338834 1110683125 /nfs/dbraw/zinc/68/31/25/1110683125.db2.gz ZVNGKSOKAXERCT-LMMKCTJWSA-N 2 0 329.488 2.321 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001479341673 1110683685 /nfs/dbraw/zinc/68/36/85/1110683685.db2.gz RWTNVAOAUZXJQG-YSIASYRMSA-N 2 0 343.515 2.364 10 0 EEAERP O=C(NCC[N@@H+](CCF)C1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001499522449 1112337513 /nfs/dbraw/zinc/33/75/13/1112337513.db2.gz INNJZZKNMITXKE-UHFFFAOYSA-N 2 0 325.472 2.193 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2)C1 ZINC001499941991 1112549600 /nfs/dbraw/zinc/54/96/00/1112549600.db2.gz PEKCCLREUIVWNJ-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](C[C@@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001500226345 1112687848 /nfs/dbraw/zinc/68/78/48/1112687848.db2.gz AZQTXNBPLNYWJM-RHSMWYFYSA-N 2 0 343.462 2.487 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001500401898 1112804665 /nfs/dbraw/zinc/80/46/65/1112804665.db2.gz KKAXFWJPABDMQD-VQIMIIECSA-N 2 0 333.451 2.106 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001500552708 1112941795 /nfs/dbraw/zinc/94/17/95/1112941795.db2.gz JWTPLFGNCBWYHK-SFHVURJKSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@H](C[NH2+]CCCF)CC2)C1 ZINC001501186463 1113233396 /nfs/dbraw/zinc/23/33/96/1113233396.db2.gz LJHYOAFLJXVJHH-ULQDDVLXSA-N 2 0 327.488 2.200 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001501544237 1113376855 /nfs/dbraw/zinc/37/68/55/1113376855.db2.gz HVOBLUWUGNZBOW-HKUYNNGSSA-N 2 0 329.488 2.417 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)CC1 ZINC001501711026 1113445178 /nfs/dbraw/zinc/44/51/78/1113445178.db2.gz UYPGGERKOMICAM-VYUJNZAKSA-N 2 0 327.900 2.345 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)ccc1C ZINC001502987950 1113867587 /nfs/dbraw/zinc/86/75/87/1113867587.db2.gz NFKCWGNPCSFVQY-WMZOPIPTSA-N 2 0 347.503 2.424 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1C ZINC001502986351 1113867811 /nfs/dbraw/zinc/86/78/11/1113867811.db2.gz KKDCOVPUMJIAFO-WMZOPIPTSA-N 2 0 347.503 2.424 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001566072219 1113918839 /nfs/dbraw/zinc/91/88/39/1113918839.db2.gz XDRQLQVLMPLDIV-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506038383 1114365042 /nfs/dbraw/zinc/36/50/42/1114365042.db2.gz IXTZASDSKIHIIG-DOTOQJQBSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@H](O)CCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001506519313 1114669129 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ZELNYQMADDQELT-QAPCUYQASA-N 2 0 325.472 2.143 10 0 EEAERP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001507091128 1115103385 /nfs/dbraw/zinc/10/33/85/1115103385.db2.gz HOBDDWNMCAJALB-GJZGRUSLSA-N 2 0 327.513 2.111 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001507108597 1115112646 /nfs/dbraw/zinc/11/26/46/1115112646.db2.gz XCYQTCOCENLUEZ-AWEZNQCLSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)sn1 ZINC001507131917 1115125121 /nfs/dbraw/zinc/12/51/21/1115125121.db2.gz XODAURIZFQPSLW-AWEZNQCLSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H]1C ZINC001507291944 1115176857 /nfs/dbraw/zinc/17/68/57/1115176857.db2.gz AAOQMLDDGKNYSY-APWZRJJASA-N 2 0 346.519 2.173 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001507292430 1115177253 /nfs/dbraw/zinc/17/72/53/1115177253.db2.gz JJMGNLXLSXHNQW-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001507354760 1115217459 /nfs/dbraw/zinc/21/74/59/1115217459.db2.gz JDQIYUVQKYLJLQ-MJGOQNOKSA-N 2 0 346.475 2.081 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2)[NH+](C)C ZINC001507361005 1115221940 /nfs/dbraw/zinc/22/19/40/1115221940.db2.gz YLNABPPPTMPEQC-LMMKCTJWSA-N 2 0 339.524 2.255 10 0 EEAERP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCF)[C@H]3C2)CC1 ZINC001507363897 1115224415 /nfs/dbraw/zinc/22/44/15/1115224415.db2.gz NJBMYNMRNGHVBD-OKZBNKHCSA-N 2 0 339.499 2.295 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001507416552 1115258552 /nfs/dbraw/zinc/25/85/52/1115258552.db2.gz PESXWVQOALWILU-DOTOQJQBSA-N 2 0 327.488 2.341 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC2(C)C)cc1 ZINC001507454117 1115279039 /nfs/dbraw/zinc/27/90/39/1115279039.db2.gz RXOWJZZGYPNGNN-GOSISDBHSA-N 2 0 347.503 2.362 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2=CC[N@H+](CCOC3CCC3)CC2)CC1 ZINC001508223609 1115451372 /nfs/dbraw/zinc/45/13/72/1115451372.db2.gz UQVNVHWIKVHJLN-UHFFFAOYSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001540001793 1124071331 /nfs/dbraw/zinc/07/13/31/1124071331.db2.gz VDOSEFXEQGTUAS-OAHLLOKOSA-N 2 0 330.476 2.027 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCc1ccccc1 ZINC001568178919 1124341518 /nfs/dbraw/zinc/34/15/18/1124341518.db2.gz LEDREYZLLPMPAZ-KRWDZBQOSA-N 2 0 329.488 2.199 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001568281893 1124402809 /nfs/dbraw/zinc/40/28/09/1124402809.db2.gz YZNLCNUDJUHQDV-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312352 1124416090 /nfs/dbraw/zinc/41/60/90/1124416090.db2.gz KSUQDWCAOGLFJU-HNNXBMFYSA-N 2 0 349.906 2.415 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001568368665 1124441227 /nfs/dbraw/zinc/44/12/27/1124441227.db2.gz GUUMWTJHLGXKJZ-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)on1 ZINC001568368959 1124441444 /nfs/dbraw/zinc/44/14/44/1124441444.db2.gz HRXHZQKNYSPMSQ-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001568412193 1124480906 /nfs/dbraw/zinc/48/09/06/1124480906.db2.gz OQTVWRYLWABZOS-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001568424939 1124491874 /nfs/dbraw/zinc/49/18/74/1124491874.db2.gz WTHZSURAROIGHD-FUHWJXTLSA-N 2 0 349.523 2.075 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001568515448 1124576739 /nfs/dbraw/zinc/57/67/39/1124576739.db2.gz LEWOUZHRWQPVCN-SJORKVTESA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001568533699 1124596068 /nfs/dbraw/zinc/59/60/68/1124596068.db2.gz VDJKNNNFHRHUCG-WMZOPIPTSA-N 2 0 335.467 2.248 10 0 EEAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001568647608 1124659513 /nfs/dbraw/zinc/65/95/13/1124659513.db2.gz ZLMAALQIJDXBRG-INIZCTEOSA-N 2 0 341.540 2.265 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001568652525 1124663442 /nfs/dbraw/zinc/66/34/42/1124663442.db2.gz NGUJGHBBTJAAIJ-ZDUSSCGKSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568689503 1124701590 /nfs/dbraw/zinc/70/15/90/1124701590.db2.gz LHIXBHJHNYUWFK-APWZRJJASA-N 2 0 347.503 2.415 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568710221 1124726824 /nfs/dbraw/zinc/72/68/24/1124726824.db2.gz JWPOFYXWVNCQNE-QFBILLFUSA-N 2 0 331.504 2.228 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568866830 1124892459 /nfs/dbraw/zinc/89/24/59/1124892459.db2.gz YAQCVPGDCBFCEH-JFDDCEBESA-N 2 0 338.883 2.083 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568952255 1124987553 /nfs/dbraw/zinc/98/75/53/1124987553.db2.gz VXMFAKISUQFBCU-YATRRXNKSA-N 2 0 340.471 2.272 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001569068607 1125079090 /nfs/dbraw/zinc/07/90/90/1125079090.db2.gz YKCDCTGVMWATOV-ZDUSSCGKSA-N 2 0 341.440 2.237 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001569078766 1125084656 /nfs/dbraw/zinc/08/46/56/1125084656.db2.gz ARRLETCSBJPWBW-KRWDZBQOSA-N 2 0 347.503 2.118 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001569330074 1125232760 /nfs/dbraw/zinc/23/27/60/1125232760.db2.gz ZCYWIXZHTQINGK-GOSISDBHSA-N 2 0 349.906 2.463 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422984923 536595235 /nfs/dbraw/zinc/59/52/35/536595235.db2.gz ZRSIJBMNZBNQIC-CQSZACIVSA-N 2 0 338.839 2.276 10 0 EEAERP COC1CC[NH+](CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000079998397 539344787 /nfs/dbraw/zinc/34/47/87/539344787.db2.gz VSRFTUVRDVSJSC-UHFFFAOYSA-N 2 0 345.487 2.123 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179486638 529965536 /nfs/dbraw/zinc/96/55/36/529965536.db2.gz JBYZLCRQTFMBMA-QXAKKESOSA-N 2 0 344.503 2.415 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000163900860 539537636 /nfs/dbraw/zinc/53/76/36/539537636.db2.gz LYYNVGBUZIYUJW-OAQYLSRUSA-N 2 0 345.531 2.430 10 0 EEAERP CC(C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2Br)CC1 ZINC000036170695 213073951 /nfs/dbraw/zinc/07/39/51/213073951.db2.gz XDCLMMHPTFFCDL-OAHLLOKOSA-N 2 0 326.282 2.475 10 0 EEAERP COC(=O)[C@@H](CC(C)C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000352002202 291242512 /nfs/dbraw/zinc/24/25/12/291242512.db2.gz FYPKOZWKGGCOHW-QGZVFWFLSA-N 2 0 326.481 2.151 10 0 EEAERP C[NH+](C)CC1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416161301 239089461 /nfs/dbraw/zinc/08/94/61/239089461.db2.gz QKIMFMFFFWTNCB-UHFFFAOYSA-N 2 0 329.488 2.235 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CC2CCC(OC)CC2)CC[NH2+]CC1 ZINC000422836578 240251097 /nfs/dbraw/zinc/25/10/97/240251097.db2.gz KJPWDCMDASLAFA-FHERZECASA-N 2 0 326.481 2.103 10 0 EEAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422788285 240224489 /nfs/dbraw/zinc/22/44/89/240224489.db2.gz QZIZCZJDNJUKDX-VQTJNVASSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000423035927 240338543 /nfs/dbraw/zinc/33/85/43/240338543.db2.gz SKGNGRBMJLCLSY-YJBOKZPZSA-N 2 0 340.471 2.302 10 0 EEAERP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)C2(OC)CCC2)CC1 ZINC000459293995 245065675 /nfs/dbraw/zinc/06/56/75/245065675.db2.gz GISLLCZYTYUTLE-MRXNPFEDSA-N 2 0 326.481 2.151 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000340937202 284803277 /nfs/dbraw/zinc/80/32/77/284803277.db2.gz LEDRFPPSTZVVFI-MRXNPFEDSA-N 2 0 346.519 2.115 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC(C)(F)F ZINC000458904430 285277315 /nfs/dbraw/zinc/27/73/15/285277315.db2.gz VAVHUIQGQIQNHV-HNNXBMFYSA-N 2 0 348.482 2.479 10 0 EEAERP CCC1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000267892832 256094451 /nfs/dbraw/zinc/09/44/51/256094451.db2.gz UYQVFMXPDQMBNM-UHFFFAOYSA-N 2 0 345.491 2.226 10 0 EEAERP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000270347080 256125709 /nfs/dbraw/zinc/12/57/09/256125709.db2.gz MXBHZNFFFREOOZ-MSOLQXFVSA-N 2 0 330.476 2.215 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000375898706 285366481 /nfs/dbraw/zinc/36/64/81/285366481.db2.gz WKJGIAHYUUPMPS-WMZOPIPTSA-N 2 0 326.444 2.144 10 0 EEAERP C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000121566205 292265644 /nfs/dbraw/zinc/26/56/44/292265644.db2.gz XGOIKJXLNKFSQK-AQDPXUSMSA-N 2 0 327.472 2.440 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246219877 160268949 /nfs/dbraw/zinc/26/89/49/160268949.db2.gz GOYQFSWHWFJLHU-JXXFODFXSA-N 2 0 347.478 2.303 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000246386490 160276784 /nfs/dbraw/zinc/27/67/84/160276784.db2.gz KGOMRLXNTDJDAM-NZSAHSFTSA-N 2 0 346.519 2.187 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000246445629 160278723 /nfs/dbraw/zinc/27/87/23/160278723.db2.gz NVJBXJWWTPPHRS-XWDNEUNKSA-N 2 0 336.524 2.373 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000247530381 160327560 /nfs/dbraw/zinc/32/75/60/160327560.db2.gz ZTJSHXOYPOJHME-SJLPKXTDSA-N 2 0 332.492 2.146 10 0 EEAERP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000247985153 160335928 /nfs/dbraw/zinc/33/59/28/160335928.db2.gz IDYFZAPBQUUFJN-FCGDIQPGSA-N 2 0 342.487 2.310 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(CCO)CCCCC1)c1ccccc1 ZINC000355045186 163062318 /nfs/dbraw/zinc/06/23/18/163062318.db2.gz HDNOKVOGOKADJN-SFHVURJKSA-N 2 0 347.503 2.080 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[NH+]3CCC2CC3)[NH+](C)C)cc1 ZINC000375231478 167091941 /nfs/dbraw/zinc/09/19/41/167091941.db2.gz YDANYHJPERUTQF-SFHVURJKSA-N 2 0 330.476 2.087 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCCC1 ZINC000376631093 167363784 /nfs/dbraw/zinc/36/37/84/167363784.db2.gz ZDCIPXFEJDFKCS-GOSISDBHSA-N 2 0 336.524 2.377 10 0 EEAERP C(CCN1CC[NH+]2CCCC[C@@H]2C1)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248357828 275390554 /nfs/dbraw/zinc/39/05/54/275390554.db2.gz PYKXTMXHRSPBMV-NHCUHLMSSA-N 2 0 348.579 2.497 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000170861265 276872503 /nfs/dbraw/zinc/87/25/03/276872503.db2.gz JKVPRUVIBJZQGS-ROUUACIJSA-N 2 0 330.476 2.169 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246587452 279319836 /nfs/dbraw/zinc/31/98/36/279319836.db2.gz SOORBCXTIKQSRI-BQFCYCMXSA-N 2 0 334.508 2.129 10 0 EEAERP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000353400585 290216246 /nfs/dbraw/zinc/21/62/46/290216246.db2.gz FWEGIJLVTXWMSL-CEXWTWQISA-N 2 0 335.536 2.484 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccsc1 ZINC000297597872 294291627 /nfs/dbraw/zinc/29/16/27/294291627.db2.gz QDXHRWIXVXXBSU-INIZCTEOSA-N 2 0 343.456 2.498 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC2(C[NH3+])CCCC2)CC1 ZINC000414729957 313070869 /nfs/dbraw/zinc/07/08/69/313070869.db2.gz FSFFPUDXDDJQPF-UHFFFAOYSA-N 2 0 345.491 2.222 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000414735950 313072752 /nfs/dbraw/zinc/07/27/52/313072752.db2.gz MFIKEKSHGXBLRR-HZPDHXFCSA-N 2 0 345.491 2.030 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000416883984 313348054 /nfs/dbraw/zinc/34/80/54/313348054.db2.gz CJQQRGCSNMQMOM-CRAIPNDOSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000416973003 313378328 /nfs/dbraw/zinc/37/83/28/313378328.db2.gz TWKIVLCXODUKSE-BZUAXINKSA-N 2 0 332.492 2.453 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000418159437 313728832 /nfs/dbraw/zinc/72/88/32/313728832.db2.gz AFSWHFKOWFSEHX-ATLSCFEFSA-N 2 0 332.492 2.283 10 0 EEAERP CSc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+](C)C)cc1 ZINC000418237687 313760741 /nfs/dbraw/zinc/76/07/41/313760741.db2.gz WCIRIBDJRUQGLV-VBNZEHGJSA-N 2 0 336.505 2.142 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000418366772 313795051 /nfs/dbraw/zinc/79/50/51/313795051.db2.gz YUFMTRMBYXRFBC-SFHVURJKSA-N 2 0 330.476 2.299 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000498014735 316332578 /nfs/dbraw/zinc/33/25/78/316332578.db2.gz KXZYLTVRDNNCQP-DZKIICNBSA-N 2 0 338.521 2.380 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000541380970 318097919 /nfs/dbraw/zinc/09/79/19/318097919.db2.gz PEKRMVPTECLTAJ-WMZOPIPTSA-N 2 0 328.416 2.003 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000563374413 319002607 /nfs/dbraw/zinc/00/26/07/319002607.db2.gz PSTSYAYYQFKPSY-KRWDZBQOSA-N 2 0 345.487 2.119 10 0 EEAERP CC(C)[NH+](CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C(C)C ZINC000563621595 319031476 /nfs/dbraw/zinc/03/14/76/319031476.db2.gz ANTFEOCXSVMEGV-SFHVURJKSA-N 2 0 332.492 2.373 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578608754 323665848 /nfs/dbraw/zinc/66/58/48/323665848.db2.gz LZTVQTFQMKDXDJ-INIZCTEOSA-N 2 0 327.432 2.169 10 0 EEAERP CCO[C@H](C)c1noc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000580455482 324068067 /nfs/dbraw/zinc/06/80/67/324068067.db2.gz IHFYLKSBSDWOSD-CYBMUJFWSA-N 2 0 330.432 2.445 10 0 EEAERP CCn1ccnc1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000296340054 465162400 /nfs/dbraw/zinc/16/24/00/465162400.db2.gz MZHSQOURJUFUHF-KRWDZBQOSA-N 2 0 341.459 2.367 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000113578002 462603324 /nfs/dbraw/zinc/60/33/24/462603324.db2.gz XWUBITPKQIRPLQ-NXHRZFHOSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000113620667 462608146 /nfs/dbraw/zinc/60/81/46/462608146.db2.gz ZVSIVRHTNOIUTN-ZHALLVOQSA-N 2 0 344.503 2.385 10 0 EEAERP Cc1cccc(-c2noc(C[NH2+]CC3CC[NH+](C[C@@H](C)O)CC3)n2)c1 ZINC000075131196 462682257 /nfs/dbraw/zinc/68/22/57/462682257.db2.gz VORXZRDYQCJBHI-OAHLLOKOSA-N 2 0 344.459 2.227 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000092409557 462949523 /nfs/dbraw/zinc/94/95/23/462949523.db2.gz KDDMLOWJKVDOOG-KDOFPFPSSA-N 2 0 337.895 2.342 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000052551759 463090514 /nfs/dbraw/zinc/09/05/14/463090514.db2.gz QAYLELUACZLKCC-SFHVURJKSA-N 2 0 348.466 2.184 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000072274283 463491898 /nfs/dbraw/zinc/49/18/98/463491898.db2.gz YZASYDWTAQWBON-SFHVURJKSA-N 2 0 336.524 2.377 10 0 EEAERP O[C@H](C[NH+]1CCC(C[NH2+]CC2=CCCOC2)CC1)c1ccccc1 ZINC000127115748 463683010 /nfs/dbraw/zinc/68/30/10/463683010.db2.gz KLLBSULNUVZZPI-HXUWFJFHSA-N 2 0 330.472 2.368 10 0 EEAERP Cc1cccc2c1[nH+]cc(C)c2N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000185270905 463791486 /nfs/dbraw/zinc/79/14/86/463791486.db2.gz BMWQIYXGEQKUNX-UHFFFAOYSA-N 2 0 326.444 2.062 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000194159779 463804660 /nfs/dbraw/zinc/80/46/60/463804660.db2.gz XZQMSMYBDYVVGF-IRXDYDNUSA-N 2 0 336.455 2.212 10 0 EEAERP C[C@@H]1C[C@H](C)CN(C(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261858702 463881011 /nfs/dbraw/zinc/88/10/11/463881011.db2.gz WFJDWPGRNAFHTC-JFRXWTBNSA-N 2 0 329.488 2.165 10 0 EEAERP CO[C@H](C)c1nc(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261899297 463892405 /nfs/dbraw/zinc/89/24/05/463892405.db2.gz HLBNSFWTFBCURV-NMFUWQPSSA-N 2 0 325.478 2.097 10 0 EEAERP CO[C@H](C)c1nc(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261899293 463892427 /nfs/dbraw/zinc/89/24/27/463892427.db2.gz HLBNSFWTFBCURV-NGFQHRJXSA-N 2 0 325.478 2.097 10 0 EEAERP C[C@@]1(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261897208 463892794 /nfs/dbraw/zinc/89/27/94/463892794.db2.gz VFERKVBWNIQGOC-HXUWFJFHSA-N 2 0 327.472 2.287 10 0 EEAERP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C12CCOCC2 ZINC000186310422 463974421 /nfs/dbraw/zinc/97/44/21/463974421.db2.gz FJQRYCBLKZTPJF-MSOLQXFVSA-N 2 0 340.508 2.051 10 0 EEAERP CCCN(Cc1noc(CN)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262309298 463997919 /nfs/dbraw/zinc/99/79/19/463997919.db2.gz YQZUFVMLGJBBNJ-KRWDZBQOSA-N 2 0 343.475 2.405 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000262666002 464036859 /nfs/dbraw/zinc/03/68/59/464036859.db2.gz KACINWRCQBSICW-RYRKJORJSA-N 2 0 345.487 2.466 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000263282748 464077776 /nfs/dbraw/zinc/07/77/76/464077776.db2.gz SKTJWPBCNFFTNU-UHFFFAOYSA-N 2 0 340.427 2.288 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000279428366 464104393 /nfs/dbraw/zinc/10/43/93/464104393.db2.gz MDCIUXRVOXLRPC-HOTGVXAUSA-N 2 0 333.476 2.433 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173928340 464332651 /nfs/dbraw/zinc/33/26/51/464332651.db2.gz MIKPLMBBWBCQSF-SJORKVTESA-N 2 0 344.459 2.072 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000281148488 464349495 /nfs/dbraw/zinc/34/94/95/464349495.db2.gz GIKQQMVHUOFJSM-RDTXWAMCSA-N 2 0 335.467 2.295 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000281146621 464350143 /nfs/dbraw/zinc/35/01/43/464350143.db2.gz GIKQQMVHUOFJSM-KSSFIOAISA-N 2 0 335.467 2.295 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281188527 464364838 /nfs/dbraw/zinc/36/48/38/464364838.db2.gz JEYAIFODRZDCCU-GOSISDBHSA-N 2 0 335.467 2.439 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000281811808 464594927 /nfs/dbraw/zinc/59/49/27/464594927.db2.gz YZQXHCVYCPPWEF-KSSFIOAISA-N 2 0 335.467 2.437 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246527477 464595782 /nfs/dbraw/zinc/59/57/82/464595782.db2.gz VOMXXISUIWPPER-BZSNNMDCSA-N 2 0 338.540 2.479 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246582884 464602196 /nfs/dbraw/zinc/60/21/96/464602196.db2.gz ZLOKMMUWHYHYEK-SQNIBIBYSA-N 2 0 338.540 2.480 10 0 EEAERP O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439832 464609580 /nfs/dbraw/zinc/60/95/80/464609580.db2.gz SRNXVEFGEONHIV-MXEMCNAFSA-N 2 0 343.515 2.228 10 0 EEAERP COC(=O)c1coc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190485810 464656035 /nfs/dbraw/zinc/65/60/35/464656035.db2.gz UFTQZQXOJJURAL-INIZCTEOSA-N 2 0 343.427 2.415 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000579828415 468419297 /nfs/dbraw/zinc/41/92/97/468419297.db2.gz WNUJDTJYRHOBDO-PWRODBHTSA-N 2 0 345.531 2.158 10 0 EEAERP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182895945 464752734 /nfs/dbraw/zinc/75/27/34/464752734.db2.gz VBTFOCIWZRXQKL-LZLYRXPVSA-N 2 0 334.508 2.129 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000248555877 464763594 /nfs/dbraw/zinc/76/35/94/464763594.db2.gz BKCSQNCXBFLQDF-ZWKOTPCHSA-N 2 0 330.476 2.167 10 0 EEAERP CN1C(=O)C[C@@H]([NH2+]CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000192157238 464876672 /nfs/dbraw/zinc/87/66/72/464876672.db2.gz HNZFEECSDNZEHB-WBVHZDCISA-N 2 0 332.835 2.488 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000249889581 464922444 /nfs/dbraw/zinc/92/24/44/464922444.db2.gz RVXWAGFPMHTWRS-ZWKOTPCHSA-N 2 0 330.476 2.217 10 0 EEAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000337668068 465506445 /nfs/dbraw/zinc/50/64/45/465506445.db2.gz UMPVHIGTHMPAEZ-ZWKOTPCHSA-N 2 0 334.508 2.131 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353430940 465876636 /nfs/dbraw/zinc/87/66/36/465876636.db2.gz XJGCEBYTMREBQA-GOSISDBHSA-N 2 0 343.475 2.321 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccccn2)s1 ZINC000349316105 466061725 /nfs/dbraw/zinc/06/17/25/466061725.db2.gz MZIZOVHSRLILHH-UHFFFAOYSA-N 2 0 345.516 2.274 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478592 466113106 /nfs/dbraw/zinc/11/31/06/466113106.db2.gz SAZAYXQFAYKYFB-RBUKOAKNSA-N 2 0 327.476 2.211 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000302924104 466213681 /nfs/dbraw/zinc/21/36/81/466213681.db2.gz BHXOVCVXKCMKBQ-BRWVUGGUSA-N 2 0 326.529 2.384 10 0 EEAERP COC(=O)CCCN1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000597215742 468482717 /nfs/dbraw/zinc/48/27/17/468482717.db2.gz MZAUEYRAFKCZKX-UHFFFAOYSA-N 2 0 348.491 2.195 10 0 EEAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[C@H](C)O1 ZINC000368452664 466640381 /nfs/dbraw/zinc/64/03/81/466640381.db2.gz DEVLRVIQSGBVFK-HOTGVXAUSA-N 2 0 343.475 2.451 10 0 EEAERP c1nc([C@@H]2CCC[N@@H+](CCCN3CCOCC3)C2)n2c1CCCC2 ZINC000368514306 466655309 /nfs/dbraw/zinc/65/53/09/466655309.db2.gz MPPSNJFPBKMFAE-QGZVFWFLSA-N 2 0 332.492 2.121 10 0 EEAERP c1[nH]nc2c1[C@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000368608630 466687975 /nfs/dbraw/zinc/68/79/75/466687975.db2.gz QNUPRDWVWPLGCC-LJQANCHMSA-N 2 0 339.487 2.195 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC=CCC2)[C@@H]1c1ccc(F)cc1 ZINC000373382239 466785957 /nfs/dbraw/zinc/78/59/57/466785957.db2.gz FYVSOJUQDUBDCV-ROUUACIJSA-N 2 0 346.450 2.132 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000375056037 466788598 /nfs/dbraw/zinc/78/85/98/466788598.db2.gz VRJXTMAZZWNVIA-QZTJIDSGSA-N 2 0 346.450 2.132 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417256943 466816574 /nfs/dbraw/zinc/81/65/74/466816574.db2.gz SXMBYXWBPWUSBL-QFGTZPNFSA-N 2 0 336.524 2.277 10 0 EEAERP CSc1ccc(OC[C@@H](O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000411760586 466895181 /nfs/dbraw/zinc/89/51/81/466895181.db2.gz SMPPXPBIHROWLF-MAUKXSAKSA-N 2 0 336.501 2.176 10 0 EEAERP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376982752 466988145 /nfs/dbraw/zinc/98/81/45/466988145.db2.gz ZSACYIOTIINHNN-FCCDEINASA-N 2 0 334.508 2.272 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282780 467020272 /nfs/dbraw/zinc/02/02/72/467020272.db2.gz ALRCKXPVQWYJJN-KRWDZBQOSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424332351 467030949 /nfs/dbraw/zinc/03/09/49/467030949.db2.gz VCGCTASODNSFNA-NZSAHSFTSA-N 2 0 329.488 2.355 10 0 EEAERP CCC[NH2+]CCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418042916 467032669 /nfs/dbraw/zinc/03/26/69/467032669.db2.gz MLRZJYMBUKJAAO-LJQANCHMSA-N 2 0 332.492 2.340 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418140042 467057640 /nfs/dbraw/zinc/05/76/40/467057640.db2.gz KOFHYSXQTWYPJI-ATZDWAIDSA-N 2 0 344.503 2.194 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418196572 467072589 /nfs/dbraw/zinc/07/25/89/467072589.db2.gz RIJMQSNCFSLXBX-OWYHZJEWSA-N 2 0 342.487 2.043 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418228009 467080226 /nfs/dbraw/zinc/08/02/26/467080226.db2.gz APUYLQCBZPRFTB-BQFCYCMXSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418466350 467114738 /nfs/dbraw/zinc/11/47/38/467114738.db2.gz RECABNWVHYEYJM-BEFAXECRSA-N 2 0 330.476 2.334 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418577013 467131022 /nfs/dbraw/zinc/13/10/22/467131022.db2.gz OQWHMLKZWSCSKY-WQVCFCJDSA-N 2 0 338.883 2.240 10 0 EEAERP CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418773091 467157795 /nfs/dbraw/zinc/15/77/95/467157795.db2.gz QCRYICFITNCRRN-RBUKOAKNSA-N 2 0 344.503 2.435 10 0 EEAERP CC1(C)CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000382726652 467378095 /nfs/dbraw/zinc/37/80/95/467378095.db2.gz UHPRYBHLIPJHAZ-SFHVURJKSA-N 2 0 329.488 2.499 10 0 EEAERP CCOC(=O)c1csc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420365581 467380066 /nfs/dbraw/zinc/38/00/66/467380066.db2.gz FACNXGPBIHEZOT-ZDUSSCGKSA-N 2 0 337.489 2.499 10 0 EEAERP CCN1CC[C@H]([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266387 467399010 /nfs/dbraw/zinc/39/90/10/467399010.db2.gz PVEPJUOLWQKHOZ-OWCLPIDISA-N 2 0 341.496 2.085 10 0 EEAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397577062 467441777 /nfs/dbraw/zinc/44/17/77/467441777.db2.gz BRUDDGCGEOWAPP-OALUTQOASA-N 2 0 329.488 2.390 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000397499340 467442633 /nfs/dbraw/zinc/44/26/33/467442633.db2.gz FKHNNDSIJLRVTI-MJGOQNOKSA-N 3 0 331.504 2.086 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414945133 467455482 /nfs/dbraw/zinc/45/54/82/467455482.db2.gz QZJYKBWJBNHXCG-QFBILLFUSA-N 3 0 330.520 2.305 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113575 467460884 /nfs/dbraw/zinc/46/08/84/467460884.db2.gz FNGUFRYWRRLQHO-DLBZAZTESA-N 2 0 331.508 2.429 10 0 EEAERP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415016757 467469230 /nfs/dbraw/zinc/46/92/30/467469230.db2.gz ORSWANDHDKJUPS-OUAUKWLOSA-N 2 0 328.254 2.492 10 0 EEAERP CCN1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000453369765 467483585 /nfs/dbraw/zinc/48/35/85/467483585.db2.gz STDMCNPWWYEISY-AKHDSKFASA-N 2 0 327.472 2.392 10 0 EEAERP CCC[C@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCOC ZINC000431813160 467540006 /nfs/dbraw/zinc/54/00/06/467540006.db2.gz WAFCHXHOOITQHQ-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)o1 ZINC000529302268 467842389 /nfs/dbraw/zinc/84/23/89/467842389.db2.gz JFXYJFSXHSPNPJ-WBVHZDCISA-N 2 0 346.475 2.309 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000458936304 467926523 /nfs/dbraw/zinc/92/65/23/467926523.db2.gz NCNYTCQEYZALOE-ZWKOTPCHSA-N 2 0 334.508 2.153 10 0 EEAERP COC[C@@H](C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514757765 467953010 /nfs/dbraw/zinc/95/30/10/467953010.db2.gz DQWFGHYHBDZMNV-ICSRJNTNSA-N 2 0 331.504 2.161 10 0 EEAERP c1cn(-c2csc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)c2)cn1 ZINC000519403202 468159268 /nfs/dbraw/zinc/15/92/68/468159268.db2.gz YXMQDQDXPKSLLA-ZDUSSCGKSA-N 2 0 326.429 2.410 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000567682484 468182518 /nfs/dbraw/zinc/18/25/18/468182518.db2.gz SZHPXUQFPXNFAR-MRXNPFEDSA-N 2 0 326.506 2.337 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582895003 468612806 /nfs/dbraw/zinc/61/28/06/468612806.db2.gz WDEAVVUUEVVGQO-XLIONFOSSA-N 2 0 344.503 2.292 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000583082935 468641990 /nfs/dbraw/zinc/64/19/90/468641990.db2.gz RNIHWZZEYASVSV-OAHLLOKOSA-N 2 0 342.447 2.133 10 0 EEAERP C[C@@H](CSCCF)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000595031220 468745997 /nfs/dbraw/zinc/74/59/97/468745997.db2.gz ATVRYEWEABVYFB-WMLDXEAASA-N 2 0 326.481 2.434 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000601269349 468806144 /nfs/dbraw/zinc/80/61/44/468806144.db2.gz RAQINGNAOJCPTG-RBUKOAKNSA-N 2 0 346.519 2.331 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000562796638 469073335 /nfs/dbraw/zinc/07/33/35/469073335.db2.gz XZIDMFBWBGIXTE-HXUWFJFHSA-N 2 0 344.503 2.423 10 0 EEAERP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000601972801 469119901 /nfs/dbraw/zinc/11/99/01/469119901.db2.gz PKHWBPQEVVTBNC-HOCLYGCPSA-N 2 0 334.460 2.495 10 0 EEAERP CCOC(=O)C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000599280448 469188918 /nfs/dbraw/zinc/18/89/18/469188918.db2.gz AFKBVLKEOAUCQX-LJQANCHMSA-N 2 0 348.487 2.145 10 0 EEAERP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1 ZINC000629582637 469584119 /nfs/dbraw/zinc/58/41/19/469584119.db2.gz WSIVKYNBOIMHED-LZWOXQAQSA-N 2 0 345.409 2.339 10 0 EEAERP COc1ccccc1N1CC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445426 469658649 /nfs/dbraw/zinc/65/86/49/469658649.db2.gz QVEWCZSCLGOFKK-LSDHHAIUSA-N 2 0 331.460 2.263 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000623494124 469674491 /nfs/dbraw/zinc/67/44/91/469674491.db2.gz CORLUAAXKWWCHW-LJQANCHMSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000623713049 469741199 /nfs/dbraw/zinc/74/11/99/469741199.db2.gz RHQDJXAHYXCJPM-AEFFLSMTSA-N 2 0 336.524 2.425 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)[NH+]2CCCC2)o1 ZINC000626963392 469770923 /nfs/dbraw/zinc/77/09/23/469770923.db2.gz NCZSITGLDIGIMR-KBMXLJTQSA-N 2 0 334.464 2.165 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627000346 469784423 /nfs/dbraw/zinc/78/44/23/469784423.db2.gz OVUJTDNECQFUOV-HRAJDOBDSA-N 2 0 344.503 2.193 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627206281 469845100 /nfs/dbraw/zinc/84/51/00/469845100.db2.gz YCMHKSGKVVGMCY-UHOSZYNNSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624343497 469912254 /nfs/dbraw/zinc/91/22/54/469912254.db2.gz WEMUTSOANOFNIE-KXBFYZLASA-N 2 0 345.487 2.431 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000630843174 470009692 /nfs/dbraw/zinc/00/96/92/470009692.db2.gz FXYQWIPXMXTNJJ-DLBZAZTESA-N 2 0 346.475 2.246 10 0 EEAERP C[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634771406 470304548 /nfs/dbraw/zinc/30/45/48/470304548.db2.gz UDQSCWMOFKQHHI-KRQVXIAISA-N 2 0 341.499 2.403 10 0 EEAERP 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ZINC000652176469 471250527 /nfs/dbraw/zinc/25/05/27/471250527.db2.gz HFVMMDLMGJZFFZ-SJLPKXTDSA-N 2 0 344.503 2.325 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652241195 471260698 /nfs/dbraw/zinc/26/06/98/471260698.db2.gz ZHXODGBXHGFCMJ-QGZVFWFLSA-N 2 0 344.503 2.421 10 0 EEAERP CO[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000658075172 471264783 /nfs/dbraw/zinc/26/47/83/471264783.db2.gz WLDXHLGHIYSHBN-SZVBFZGTSA-N 2 0 336.476 2.329 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000658108795 471266802 /nfs/dbraw/zinc/26/68/02/471266802.db2.gz SIDOBCUOCMGWSQ-IRXDYDNUSA-N 2 0 348.535 2.311 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000652288071 471267000 /nfs/dbraw/zinc/26/70/00/471267000.db2.gz SBWWHIPOJGDFHB-CRAIPNDOSA-N 2 0 332.492 2.278 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652288069 471267033 /nfs/dbraw/zinc/26/70/33/471267033.db2.gz 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C[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565857 471560435 /nfs/dbraw/zinc/56/04/35/471560435.db2.gz NNDCVTXWXYWYQT-HKUYNNGSSA-N 2 0 330.476 2.092 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669575136 471563584 /nfs/dbraw/zinc/56/35/84/471563584.db2.gz ISNGMPDOVXLHNM-SMVLHYPJSA-N 2 0 348.535 2.425 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000659286777 471567470 /nfs/dbraw/zinc/56/74/70/471567470.db2.gz PSWHHEAKUQURFU-YJBOKZPZSA-N 2 0 333.476 2.081 10 0 EEAERP COc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1F ZINC000669683933 471590757 /nfs/dbraw/zinc/59/07/57/471590757.db2.gz KUTXRPFHXQHTRK-HNNXBMFYSA-N 2 0 339.455 2.016 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000659423106 471619339 /nfs/dbraw/zinc/61/93/39/471619339.db2.gz IYFSFMXJWJAZRD-QZTJIDSGSA-N 2 0 332.492 2.496 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000659425345 471620976 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C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731356 471883709 /nfs/dbraw/zinc/88/37/09/471883709.db2.gz QLQYYAYQDAZCCC-SFHVURJKSA-N 2 0 326.444 2.440 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667756579 471893841 /nfs/dbraw/zinc/89/38/41/471893841.db2.gz ZOBKEEOHVOVHAY-UYAOXDASSA-N 2 0 330.472 2.300 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)o1 ZINC000654418043 471952026 /nfs/dbraw/zinc/95/20/26/471952026.db2.gz GSLRSEOGNBZBHZ-IXDOHACOSA-N 2 0 348.491 2.364 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662261440 472048093 /nfs/dbraw/zinc/04/80/93/472048093.db2.gz YKLHYQXZMCWNSZ-LJQANCHMSA-N 2 0 331.504 2.351 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662269637 472050910 /nfs/dbraw/zinc/05/09/10/472050910.db2.gz BUXILBZUIVOIHH-ZCNNSNEGSA-N 3 0 343.515 2.180 10 0 EEAERP CN(c1ccccc1C[N@H+](C)CC1CN(C)C1)C1CC[NH+](C)CC1 ZINC000668540142 472165439 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325.412 2.294 10 0 EEAERP [NH3+]C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000668864769 472301991 /nfs/dbraw/zinc/30/19/91/472301991.db2.gz SWBFIFDTJDMNPN-MRXNPFEDSA-N 2 0 330.476 2.163 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000674410130 485726974 /nfs/dbraw/zinc/72/69/74/485726974.db2.gz NYMWDDHDFSBGEO-MSOLQXFVSA-N 2 0 342.487 2.349 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)CC1 ZINC000684926783 486038972 /nfs/dbraw/zinc/03/89/72/486038972.db2.gz ICVDOPKSRRKFFH-OKYOBFRVSA-N 2 0 335.536 2.340 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415986636 528149094 /nfs/dbraw/zinc/14/90/94/528149094.db2.gz BNHAVODEBBAPTM-SFHVURJKSA-N 2 0 346.475 2.254 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416246118 529073517 /nfs/dbraw/zinc/07/35/17/529073517.db2.gz LUJVMVLJGKPBOD-IBGZPJMESA-N 2 0 329.488 2.376 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422840770 536597044 /nfs/dbraw/zinc/59/70/44/536597044.db2.gz UPMZTBRYPZQYCO-JKSUJKDBSA-N 2 0 325.522 2.304 10 0 EEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2)CC1 ZINC000773486822 577346196 /nfs/dbraw/zinc/34/61/96/577346196.db2.gz JPSFGSKDOWEPBD-UHFFFAOYSA-N 2 0 344.503 2.039 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[S@@](=O)CC)CC1 ZINC000756118436 577838719 /nfs/dbraw/zinc/83/87/19/577838719.db2.gz QCJVJNPMFMCITH-QHCPKHFHSA-N 2 0 337.533 2.077 10 0 EEAERP C[NH+]1CCC(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000074921044 676285634 /nfs/dbraw/zinc/28/56/34/676285634.db2.gz YOQCJDRMUBGDFY-UHFFFAOYSA-N 2 0 330.476 2.109 10 0 EEAERP CCN1CCCC[C@@H]1C(=O)O[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000162766967 682040530 /nfs/dbraw/zinc/04/05/30/682040530.db2.gz FAZHURKRBVWTTA-IAGOWNOFSA-N 2 0 346.475 2.480 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925659366 684779368 /nfs/dbraw/zinc/77/93/68/684779368.db2.gz CVIFTGDBZSTKDT-SJORKVTESA-N 2 0 338.517 2.140 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000897583038 691644807 /nfs/dbraw/zinc/64/48/07/691644807.db2.gz LPTZHLCSGYCTMV-MJGOQNOKSA-N 2 0 344.503 2.067 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001485522109 1191824723 /nfs/dbraw/zinc/82/47/23/1191824723.db2.gz KTXHOPJVABRZES-CQSZACIVSA-N 2 0 337.895 2.271 10 0 EEAERP CCc1nocc1C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485665797 1191886042 /nfs/dbraw/zinc/88/60/42/1191886042.db2.gz SMPBDOKHEMLSQA-UHFFFAOYSA-N 2 0 348.491 2.002 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001485792414 1191955039 /nfs/dbraw/zinc/95/50/39/1191955039.db2.gz FBAZGFXKNUTZLR-HUUCEWRRSA-N 2 0 331.451 2.104 10 0 EEAERP O=C(N[C@H]1CC[N@H+](CCOCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266322942 1176278269 /nfs/dbraw/zinc/27/82/69/1176278269.db2.gz QMRJTXGJPRPOML-HKUYNNGSSA-N 2 0 349.519 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H]1CCC(F)(F)C1 ZINC001480872357 1176510135 /nfs/dbraw/zinc/51/01/35/1176510135.db2.gz YUNSTCSGHISGLD-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP c1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H]4CCC5(C[NH2+]C5)O4)C3)nc2c1 ZINC001772528123 1177028982 /nfs/dbraw/zinc/02/89/82/1177028982.db2.gz BROTYWFXMWSUIH-HUUCEWRRSA-N 2 0 326.444 2.263 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001266725700 1177311455 /nfs/dbraw/zinc/31/14/55/1177311455.db2.gz QEQVJXFPFDUOEB-HDICACEKSA-N 2 0 345.462 2.091 10 0 EEAERP Cc1cccnc1C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266765929 1177379568 /nfs/dbraw/zinc/37/95/68/1177379568.db2.gz BOUPHPKREPVZHZ-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001691173989 1177673497 /nfs/dbraw/zinc/67/34/97/1177673497.db2.gz NXVBVWUYCLCYFQ-WHWKNOJMSA-N 2 0 327.900 2.443 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001691339986 1177934649 /nfs/dbraw/zinc/93/46/49/1177934649.db2.gz QSAYIHCVYJGPFV-IBGZPJMESA-N 2 0 345.487 2.139 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1nsc2ccccc12)[NH+](C)C ZINC001691360272 1177969025 /nfs/dbraw/zinc/96/90/25/1177969025.db2.gz TXUNGSYZYQVAGK-OAHLLOKOSA-N 2 0 334.489 2.185 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]C/C=C/c3ccccc3)C2)CC1 ZINC001267054811 1178160844 /nfs/dbraw/zinc/16/08/44/1178160844.db2.gz CSXSMZMHJBEZGI-MBNRZODZSA-N 2 0 341.499 2.480 10 0 EEAERP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC001480920742 1178355314 /nfs/dbraw/zinc/35/53/14/1178355314.db2.gz APFJFOZSJSHWFZ-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCCCF ZINC001267276314 1178660115 /nfs/dbraw/zinc/66/01/15/1178660115.db2.gz PJSGILPJSOQRMX-ARFHVFGLSA-N 2 0 336.455 2.244 10 0 EEAERP COCC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001267319847 1178749401 /nfs/dbraw/zinc/74/94/01/1178749401.db2.gz UXTXQNISVIPECS-GOSISDBHSA-N 2 0 345.503 2.062 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001480935026 1178845061 /nfs/dbraw/zinc/84/50/61/1178845061.db2.gz JQBPFDSYHPWMEQ-WMZOPIPTSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422246 1178990619 /nfs/dbraw/zinc/99/06/19/1178990619.db2.gz HGJOFIRRVMORAC-UHFFFAOYSA-N 2 0 331.504 2.181 10 0 EEAERP O=C(NCC[C@@H]1CC[N@@H+](CCCCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001267531015 1179279587 /nfs/dbraw/zinc/27/95/87/1179279587.db2.gz JWNFOGTZJPHKLL-SJLPKXTDSA-N 2 0 339.499 2.296 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)cs1 ZINC001481110705 1179763517 /nfs/dbraw/zinc/76/35/17/1179763517.db2.gz AUEVARLCOVXSEP-GOEBONIOSA-N 2 0 335.517 2.336 10 0 EEAERP CCN(C(=O)Cc1[nH]cnc1C)[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001267790171 1180535283 /nfs/dbraw/zinc/53/52/83/1180535283.db2.gz NKWGJDSUMIHIAA-QGZVFWFLSA-N 2 0 348.491 2.000 10 0 EEAERP CC(C)OCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481271632 1180577372 /nfs/dbraw/zinc/57/73/72/1180577372.db2.gz YTCMWJRCTDNSRA-GOSISDBHSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccnc(Cl)c2)CCCC1 ZINC001267841585 1180620188 /nfs/dbraw/zinc/62/01/88/1180620188.db2.gz UWNNKKJTNAUOEE-UHFFFAOYSA-N 2 0 338.883 2.205 10 0 EEAERP COCC[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267915990 1180758556 /nfs/dbraw/zinc/75/85/56/1180758556.db2.gz MYDWHFGUWQGTSC-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001481306604 1180984915 /nfs/dbraw/zinc/98/49/15/1180984915.db2.gz YCEDRVDUJZBWAN-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC001481363508 1181132815 /nfs/dbraw/zinc/13/28/15/1181132815.db2.gz OCNHOKKUMNYHQA-GJZGRUSLSA-N 2 0 343.393 2.480 10 0 EEAERP Cc1nc(C[N@H+]2CC[C@@H](CCNC(=O)C3([NH+](C)C)CCC3)C2)c(C)o1 ZINC001481434884 1181327421 /nfs/dbraw/zinc/32/74/21/1181327421.db2.gz GMUKIWZPGXTDKA-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001481455483 1181402496 /nfs/dbraw/zinc/40/24/96/1181402496.db2.gz JDAJJTFVKSZOPC-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CC(C)n1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C2)n1 ZINC001481463303 1181468624 /nfs/dbraw/zinc/46/86/24/1181468624.db2.gz ZCAJSCNGPDXBTC-QGZVFWFLSA-N 2 0 349.523 2.132 10 0 EEAERP C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCCF)C1)[NH+]1CCCCCC1 ZINC001481500862 1181576699 /nfs/dbraw/zinc/57/66/99/1181576699.db2.gz SGFPLUKSPKOEKH-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001268068079 1181664853 /nfs/dbraw/zinc/66/48/53/1181664853.db2.gz JMYPOMJFBYKUQR-OAHLLOKOSA-N 2 0 335.467 2.289 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001268133070 1181788342 /nfs/dbraw/zinc/78/83/42/1181788342.db2.gz IJORMHVXKAMMFN-KSSFIOAISA-N 2 0 344.459 2.119 10 0 EEAERP C[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C[NH2+]CCF ZINC001268189058 1181974120 /nfs/dbraw/zinc/97/41/20/1181974120.db2.gz KMECAZRRIKXXJT-YOEHRIQHSA-N 2 0 345.422 2.067 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOc1ccccc1 ZINC001268213156 1182021851 /nfs/dbraw/zinc/02/18/51/1182021851.db2.gz MTELXCKQAASKGK-BHIYHBOVSA-N 2 0 347.503 2.136 10 0 EEAERP C[C@@H](CC[NH2+]CCC1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268393155 1182461859 /nfs/dbraw/zinc/46/18/59/1182461859.db2.gz JEVBLGSTWNGFBX-BQFCYCMXSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268414807 1182570098 /nfs/dbraw/zinc/57/00/98/1182570098.db2.gz MPJPPHOCPGINMQ-NVXWUHKLSA-N 2 0 342.487 2.494 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001481774197 1182669906 /nfs/dbraw/zinc/66/99/06/1182669906.db2.gz INQHFWQAMSQSHP-SFHVURJKSA-N 2 0 332.492 2.073 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001481907536 1182924819 /nfs/dbraw/zinc/92/48/19/1182924819.db2.gz BEZSDJJHWCVSOG-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001481933135 1182980933 /nfs/dbraw/zinc/98/09/33/1182980933.db2.gz XQFDRQIMBSZBQE-IEBWSBKVSA-N 2 0 348.491 2.232 10 0 EEAERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC001481941957 1183001894 /nfs/dbraw/zinc/00/18/94/1183001894.db2.gz YSFZZYGSGKJMTN-GOSISDBHSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001481963355 1183036934 /nfs/dbraw/zinc/03/69/34/1183036934.db2.gz VRNUDIVONSRDND-KSSFIOAISA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]CCCF)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960221 1183041460 /nfs/dbraw/zinc/04/14/60/1183041460.db2.gz CHUWWRCUACRCFB-MAUKXSAKSA-N 2 0 327.488 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001482064971 1183281348 /nfs/dbraw/zinc/28/13/48/1183281348.db2.gz ALVBRTJHPLRDDR-SJLPKXTDSA-N 2 0 347.478 2.291 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001268621064 1183540571 /nfs/dbraw/zinc/54/05/71/1183540571.db2.gz YRAVIMPWQMVHKS-YVACAVLKSA-N 2 0 325.403 2.067 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001268651743 1183581028 /nfs/dbraw/zinc/58/10/28/1183581028.db2.gz XDZRKCPRVGZJAZ-APWZRJJASA-N 2 0 347.503 2.206 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268746204 1183664631 /nfs/dbraw/zinc/66/46/31/1183664631.db2.gz IRNOWJYKSQJWCM-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001268763974 1183679486 /nfs/dbraw/zinc/67/94/86/1183679486.db2.gz GCZSVQJWCMJDHR-HOTGVXAUSA-N 2 0 325.472 2.097 10 0 EEAERP CN(CCC[NH2+]CCCF)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268793220 1183709784 /nfs/dbraw/zinc/70/97/84/1183709784.db2.gz MAWXMRCXYKBCRT-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001269142916 1183999540 /nfs/dbraw/zinc/99/95/40/1183999540.db2.gz PABFPYACHLGAID-YNEHKIRRSA-N 2 0 336.307 2.101 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001269268175 1184119517 /nfs/dbraw/zinc/11/95/17/1184119517.db2.gz IISXWQJLDAMMMP-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001269493563 1184315361 /nfs/dbraw/zinc/31/53/61/1184315361.db2.gz YAXJCCHZOOGBGJ-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269746524 1184586421 /nfs/dbraw/zinc/58/64/21/1184586421.db2.gz DUWIKMZVUKDPHN-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)no1 ZINC001269798792 1184627230 /nfs/dbraw/zinc/62/72/30/1184627230.db2.gz OEVCSSXZXZCHCE-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1)[NH+](C)C ZINC001269871417 1184686204 /nfs/dbraw/zinc/68/62/04/1184686204.db2.gz ZQKQMBCERBRWRB-IBGZPJMESA-N 2 0 346.519 2.386 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284737810 1184749440 /nfs/dbraw/zinc/74/94/40/1184749440.db2.gz NSHGRIAWDRSIOS-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001270041836 1184806010 /nfs/dbraw/zinc/80/60/10/1184806010.db2.gz KYYWIPZICGPWOA-BRSBDYLESA-N 2 0 339.524 2.301 10 0 EEAERP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)n1 ZINC001270050673 1184811390 /nfs/dbraw/zinc/81/13/90/1184811390.db2.gz OJXRRBUNVJHDHY-MRXNPFEDSA-N 2 0 349.523 2.075 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482295559 1185157527 /nfs/dbraw/zinc/15/75/27/1185157527.db2.gz BOMGLSLFLQCSQA-BBRMVZONSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@@]1(C[NH2+]CCCC2CCC2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001270828663 1185435799 /nfs/dbraw/zinc/43/57/99/1185435799.db2.gz HBXSDUFCRTVSOR-IBGZPJMESA-N 2 0 333.520 2.491 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365285 1185521641 /nfs/dbraw/zinc/52/16/41/1185521641.db2.gz UPPCHACTDNOHAY-QWHCGFSZSA-N 2 0 341.858 2.367 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001280308988 1185541810 /nfs/dbraw/zinc/54/18/10/1185541810.db2.gz YDZLHSKHYIWXKF-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001482407778 1185633281 /nfs/dbraw/zinc/63/32/81/1185633281.db2.gz INGMANNSBPLBKE-ZWKOTPCHSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001482431952 1185698082 /nfs/dbraw/zinc/69/80/82/1185698082.db2.gz DJHABUGPWZBTNK-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001271271130 1186115509 /nfs/dbraw/zinc/11/55/09/1186115509.db2.gz XEDLRXUGMHVCDI-INIZCTEOSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482485514 1186206494 /nfs/dbraw/zinc/20/64/94/1186206494.db2.gz VJRODWXTQGPSLZ-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC001271424483 1186209819 /nfs/dbraw/zinc/20/98/19/1186209819.db2.gz DVZBZZPFLJGWQV-HKUYNNGSSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C[NH2+]CCF ZINC001482501782 1186418929 /nfs/dbraw/zinc/41/89/29/1186418929.db2.gz UAFCTOGLBNRKLF-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2cncc(C)c2)C(C)C)CC[N@@H+]1C ZINC001482530616 1186522208 /nfs/dbraw/zinc/52/22/08/1186522208.db2.gz DDHWDJKAXFFBIN-GBESFXJTSA-N 2 0 346.519 2.351 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)cn1 ZINC001482532075 1186531198 /nfs/dbraw/zinc/53/11/98/1186531198.db2.gz DUGWJMUYEHGRCW-CVEARBPZSA-N 2 0 347.507 2.061 10 0 EEAERP COc1cc(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)ccc1C ZINC001482569646 1186904564 /nfs/dbraw/zinc/90/45/64/1186904564.db2.gz CXBFFIBQYYKCKT-GOSISDBHSA-N 2 0 347.503 2.330 10 0 EEAERP CC[C@H](C(=O)N(C)CC[N@H+](C)CC[C@H]1CC1(Cl)Cl)[NH+](C)C ZINC001482606840 1187362522 /nfs/dbraw/zinc/36/25/22/1187362522.db2.gz WXIXGJDJLDXFMZ-QWHCGFSZSA-N 2 0 338.323 2.301 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861300 1187774513 /nfs/dbraw/zinc/77/45/13/1187774513.db2.gz UTQLKEDONGHXJI-DLBZAZTESA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482855473 1187777491 /nfs/dbraw/zinc/77/74/91/1187777491.db2.gz ZSVYDTAOGYFPIP-CQSZACIVSA-N 2 0 327.432 2.165 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482885813 1187801521 /nfs/dbraw/zinc/80/15/21/1187801521.db2.gz QCHAFMWGZASEHQ-CQSZACIVSA-N 2 0 336.480 2.008 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001483017763 1188004866 /nfs/dbraw/zinc/00/48/66/1188004866.db2.gz MGGLELRDPXMWNG-ARJAWSKDSA-N 2 0 333.451 2.402 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]Cc1cnoc1C)c1ccccc1 ZINC001691553308 1188256690 /nfs/dbraw/zinc/25/66/90/1188256690.db2.gz NLNLRHGMIHEXSI-SFHVURJKSA-N 2 0 344.459 2.224 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001483046879 1188259231 /nfs/dbraw/zinc/25/92/31/1188259231.db2.gz IRFRIDWIMZCNPS-JKWAOEONSA-N 2 0 348.318 2.317 10 0 EEAERP Cc1ccc(OCCC[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001691603245 1188303702 /nfs/dbraw/zinc/30/37/02/1188303702.db2.gz WZVLIZSXEJCXOF-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001483145539 1188777707 /nfs/dbraw/zinc/77/77/07/1188777707.db2.gz POJLSXIFHMHUCD-HZPDHXFCSA-N 2 0 345.487 2.479 10 0 EEAERP Cc1cnc2cc(C(=O)N(C)C[C@H](C)[NH2+]Cc3ocnc3C)ccn12 ZINC001485877806 1193624277 /nfs/dbraw/zinc/62/42/77/1193624277.db2.gz ZFXHVOGCAZRHRI-LBPRGKRZSA-N 2 0 341.415 2.189 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001485883003 1193628572 /nfs/dbraw/zinc/62/85/72/1193628572.db2.gz YWLZQQMGRUVMDH-HNNXBMFYSA-N 2 0 332.492 2.119 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001409419998 1189648853 /nfs/dbraw/zinc/64/88/53/1189648853.db2.gz LJTGMLNNPKCWIL-ZIAGYGMSSA-N 2 0 335.879 2.419 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCCOc1ccccc1 ZINC001485918192 1193639428 /nfs/dbraw/zinc/63/94/28/1193639428.db2.gz ADXYVXRCIHEPMJ-QGZVFWFLSA-N 2 0 347.503 2.234 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001483235483 1189985231 /nfs/dbraw/zinc/98/52/31/1189985231.db2.gz SATABNLPQBTUIP-KRWDZBQOSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001485945430 1193654528 /nfs/dbraw/zinc/65/45/28/1193654528.db2.gz OHYVGYKEXIPPHZ-SJORKVTESA-N 2 0 346.519 2.031 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@@H]1C ZINC001486091451 1193678967 /nfs/dbraw/zinc/67/89/67/1193678967.db2.gz IKBXKCFDCWDUJR-LSDHHAIUSA-N 2 0 344.459 2.249 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001493543716 1190528252 /nfs/dbraw/zinc/52/82/52/1190528252.db2.gz CKAZDTDPIQJENI-IBGZPJMESA-N 2 0 331.504 2.458 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1c(C)noc1C)C1CC1 ZINC001483563029 1190552131 /nfs/dbraw/zinc/55/21/31/1190552131.db2.gz FUDQQOYVTXWDNV-ZWKOTPCHSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1 ZINC001483564665 1190553921 /nfs/dbraw/zinc/55/39/21/1190553921.db2.gz PVALDUBTONBZJK-NSISKUIASA-N 2 0 343.515 2.362 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c(C)n1 ZINC001483586588 1190572358 /nfs/dbraw/zinc/57/23/58/1190572358.db2.gz WEGDDLVDMDRROT-RBUKOAKNSA-N 2 0 346.519 2.269 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1C ZINC001483601828 1190582879 /nfs/dbraw/zinc/58/28/79/1190582879.db2.gz QQYCLRURVHLJFF-LJQANCHMSA-N 2 0 341.499 2.384 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1csc(C)n1 ZINC001483619811 1190601198 /nfs/dbraw/zinc/60/11/98/1190601198.db2.gz DPGCXWXKBGVXSS-GOEBONIOSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001493682682 1190740057 /nfs/dbraw/zinc/74/00/57/1190740057.db2.gz YNFOZNRSUKYGFJ-INIZCTEOSA-N 2 0 327.419 2.416 10 0 EEAERP COc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)ccc1C ZINC001272553782 1190876253 /nfs/dbraw/zinc/87/62/53/1190876253.db2.gz BGGSMAJIZJIZLE-QGZVFWFLSA-N 2 0 347.503 2.284 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272615499 1190931437 /nfs/dbraw/zinc/93/14/37/1190931437.db2.gz CPVCRZRUYQWKTC-HZPDHXFCSA-N 2 0 335.517 2.418 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)c1ccc(F)c(F)c1 ZINC001483782647 1191035298 /nfs/dbraw/zinc/03/52/98/1191035298.db2.gz CVXWXOUPHZTANC-CYBMUJFWSA-N 2 0 349.425 2.360 10 0 EEAERP COCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484022330 1191160294 /nfs/dbraw/zinc/16/02/94/1191160294.db2.gz KKUJTHTUZUSHCT-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001484049444 1191180120 /nfs/dbraw/zinc/18/01/20/1191180120.db2.gz NCYLCHHKIOMVFB-UYAOXDASSA-N 2 0 347.503 2.376 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1cnc(C)o1 ZINC001484466810 1191371566 /nfs/dbraw/zinc/37/15/66/1191371566.db2.gz WYKVESIIBYPYDC-ZWKOTPCHSA-N 2 0 348.491 2.280 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001484571760 1191424562 /nfs/dbraw/zinc/42/45/62/1191424562.db2.gz HSDLYCWODFLSRO-ZHXFTVOOSA-N 2 0 327.900 2.345 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@H](C[NH2+]CCC2CC2)C1 ZINC001484680064 1191464714 /nfs/dbraw/zinc/46/47/14/1191464714.db2.gz JTQVXFXLWVBFGK-RTBURBONSA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001484690700 1191468083 /nfs/dbraw/zinc/46/80/83/1191468083.db2.gz QRRUSLZKIFARGX-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cnc(CN2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)s1 ZINC001484728909 1191487869 /nfs/dbraw/zinc/48/78/69/1191487869.db2.gz YTVMZQQUIDNXDV-HNNXBMFYSA-N 2 0 338.521 2.262 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001484819364 1191539481 /nfs/dbraw/zinc/53/94/81/1191539481.db2.gz NDHKVPLEJWYIQZ-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC001484903912 1191569312 /nfs/dbraw/zinc/56/93/12/1191569312.db2.gz HUGYPLBOHPAZHO-BEFAXECRSA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CCC[C@H]1CCOC1 ZINC001485080931 1191650031 /nfs/dbraw/zinc/65/00/31/1191650031.db2.gz XQVKLVLUQWALPR-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP COc1ccc(CC[NH2+][C@@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001485155828 1191668243 /nfs/dbraw/zinc/66/82/43/1191668243.db2.gz LGWLDRSRFSTJGM-HOTGVXAUSA-N 2 0 347.503 2.205 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001485191647 1191686625 /nfs/dbraw/zinc/68/66/25/1191686625.db2.gz SZVIHXCIDUOYKF-NWDGAFQWSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@H]1C[C@H](C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)CCO1 ZINC001485455020 1191791749 /nfs/dbraw/zinc/79/17/49/1191791749.db2.gz QBMGIBKZVCLEKS-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cncc(CN2CC([C@@H](C)NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001485511940 1191815752 /nfs/dbraw/zinc/81/57/52/1191815752.db2.gz RKLGTQGZZYEWAW-VQIMIIECSA-N 2 0 344.503 2.201 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486179525 1193716868 /nfs/dbraw/zinc/71/68/68/1193716868.db2.gz IVHAMOLRROSBQC-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1nc(CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)cs1 ZINC001486411914 1193920483 /nfs/dbraw/zinc/92/04/83/1193920483.db2.gz VIHMMJQWTUEVBE-OAHLLOKOSA-N 2 0 340.537 2.066 10 0 EEAERP CC(C)OCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001486437642 1193957036 /nfs/dbraw/zinc/95/70/36/1193957036.db2.gz DSQFMCKJMOIUCA-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](C/C=C\Cl)CC3)CC2)C1 ZINC001486491649 1194003578 /nfs/dbraw/zinc/00/35/78/1194003578.db2.gz VNNNQPGYEQCGJR-HTUWBFOXSA-N 2 0 339.911 2.442 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2ccccc2F)CC1 ZINC001486519376 1194039570 /nfs/dbraw/zinc/03/95/70/1194039570.db2.gz RQFMOBJBYJECCP-UHFFFAOYSA-N 2 0 333.451 2.416 10 0 EEAERP CN(CC(=O)NCC1=CC[N@H+](CCCF)CC1)Cc1ccccc1 ZINC001486521685 1194044572 /nfs/dbraw/zinc/04/45/72/1194044572.db2.gz JKDULYREBBSOQV-UHFFFAOYSA-N 2 0 333.451 2.226 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001410307915 1197669222 /nfs/dbraw/zinc/66/92/22/1197669222.db2.gz GEGALWBSEFSRIQ-QZTJIDSGSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1)[NH+]1CCCCCC1 ZINC001410445091 1197911415 /nfs/dbraw/zinc/91/14/15/1197911415.db2.gz CSHZBRLXTQMPPI-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1csc([C@@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000872150318 1198057101 /nfs/dbraw/zinc/05/71/01/1198057101.db2.gz ZNJPVIAVPYEYKZ-IKGGRYGDSA-N 2 0 331.485 2.172 10 0 EEAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)C[C@H]1C(F)(F)F ZINC000872151439 1198058756 /nfs/dbraw/zinc/05/87/56/1198058756.db2.gz WGQRZJIBIYEFKB-ZIAGYGMSSA-N 2 0 341.377 2.035 10 0 EEAERP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000872204842 1198084702 /nfs/dbraw/zinc/08/47/02/1198084702.db2.gz HQYSKERSQPWAAP-NZSAHSFTSA-N 2 0 334.504 2.399 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(CC)([NH+](C)C)CC1 ZINC000865250925 1198140948 /nfs/dbraw/zinc/14/09/48/1198140948.db2.gz LSASTWQHMQBPND-OAHLLOKOSA-N 2 0 326.554 2.151 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865452277 1198225342 /nfs/dbraw/zinc/22/53/42/1198225342.db2.gz GHJYCNYEMCHRGN-UHFFFAOYSA-N 2 0 328.460 2.491 10 0 EEAERP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000865659698 1198321470 /nfs/dbraw/zinc/32/14/70/1198321470.db2.gz MGXYUTYRABGWCH-FQEVSTJZSA-N 2 0 345.531 2.128 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001410930233 1198595035 /nfs/dbraw/zinc/59/50/35/1198595035.db2.gz XBUILBJLXKOYRM-ULQDDVLXSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001410981318 1198657671 /nfs/dbraw/zinc/65/76/71/1198657671.db2.gz NWSUUUXOUSJDER-LSDHHAIUSA-N 2 0 325.472 2.190 10 0 EEAERP CCOC(=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000825685937 1198669495 /nfs/dbraw/zinc/66/94/95/1198669495.db2.gz QQLXXHPDRLTWGO-UHFFFAOYSA-N 2 0 328.416 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001273426959 1198804682 /nfs/dbraw/zinc/80/46/82/1198804682.db2.gz DBTRMVWHYFQVCC-QGZVFWFLSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)[NH+](C)C ZINC000874511735 1198911811 /nfs/dbraw/zinc/91/18/11/1198911811.db2.gz ZSOMVKLQOBWLRZ-CMKODMSKSA-N 2 0 329.488 2.307 10 0 EEAERP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001411234562 1198945489 /nfs/dbraw/zinc/94/54/89/1198945489.db2.gz JBKKMULHOWFBPZ-CQSZACIVSA-N 2 0 348.491 2.184 10 0 EEAERP COCc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001411256562 1198985722 /nfs/dbraw/zinc/98/57/22/1198985722.db2.gz YLCMPLVAOYGTOU-UHFFFAOYSA-N 2 0 347.503 2.252 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000875030885 1199114500 /nfs/dbraw/zinc/11/45/00/1199114500.db2.gz GFZUPIWSINENKP-ZHALLVOQSA-N 2 0 344.503 2.055 10 0 EEAERP COc1cnc(F)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000877059117 1199856402 /nfs/dbraw/zinc/85/64/02/1199856402.db2.gz JRNZRNTUWIUQKE-OKILXGFUSA-N 2 0 325.428 2.208 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@]2(F)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870018052 1200409387 /nfs/dbraw/zinc/40/93/87/1200409387.db2.gz UZQIFAAONGKHDY-HBXLWWENSA-N 2 0 347.478 2.069 10 0 EEAERP Cc1nc(C(C)C)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018341 1200409820 /nfs/dbraw/zinc/40/98/20/1200409820.db2.gz YXEPIBNIOFCQDL-IAGOWNOFSA-N 2 0 346.519 2.325 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)C[C@H]1C[NH+](C)C ZINC000870022017 1200412115 /nfs/dbraw/zinc/41/21/15/1200412115.db2.gz MURLIFTVPQFVCA-HZPDHXFCSA-N 2 0 339.430 2.436 10 0 EEAERP C/C(=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023418 1200413132 /nfs/dbraw/zinc/41/31/32/1200413132.db2.gz XPDBCLHRIWCOSH-PNPCOUBWSA-N 2 0 329.488 2.288 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870909236 1200945785 /nfs/dbraw/zinc/94/57/85/1200945785.db2.gz BOZPBWMMDLPSES-LSWWBPAMSA-N 2 0 342.487 2.255 10 0 EEAERP C[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870946950 1200971139 /nfs/dbraw/zinc/97/11/39/1200971139.db2.gz LZLRHWMBHMQWFA-ZWNOBZJWSA-N 2 0 328.254 2.083 10 0 EEAERP C[C@@H](CCc1cccnc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000866241847 1201474181 /nfs/dbraw/zinc/47/41/81/1201474181.db2.gz GNUIGANZSDNTRW-KRWDZBQOSA-N 2 0 339.487 2.339 10 0 EEAERP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)nc12 ZINC000866704374 1201584762 /nfs/dbraw/zinc/58/47/62/1201584762.db2.gz OBECWDXMYSIMOR-LJQANCHMSA-N 2 0 328.460 2.200 10 0 EEAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000866706962 1201585472 /nfs/dbraw/zinc/58/54/72/1201585472.db2.gz RQJORAGSNHYCRA-IBGZPJMESA-N 2 0 328.460 2.093 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2F)cc1 ZINC000886231484 1202482755 /nfs/dbraw/zinc/48/27/55/1202482755.db2.gz FAAOAYLPAJSRSU-GOSISDBHSA-N 2 0 346.446 2.459 10 0 EEAERP C[C@@H](Cn1cncn1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886516432 1202517196 /nfs/dbraw/zinc/51/71/96/1202517196.db2.gz HNIJJLSKPRVJJQ-WNHJNPCNSA-N 2 0 325.460 2.309 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925495399 1205523328 /nfs/dbraw/zinc/52/33/28/1205523328.db2.gz MZRYAPGAYBZFIW-PMACEKPBSA-N 3 0 336.568 2.018 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCCC(F)(F)F ZINC001275835077 1205556885 /nfs/dbraw/zinc/55/68/85/1205556885.db2.gz KPTKOKYMONFFRD-BFHYXJOUSA-N 2 0 337.430 2.496 10 0 EEAERP O[C@@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000924757992 1206028179 /nfs/dbraw/zinc/02/81/79/1206028179.db2.gz RWOMTLVEFIZMMH-SFTDATJTSA-N 2 0 339.483 2.282 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000925324559 1206096681 /nfs/dbraw/zinc/09/66/81/1206096681.db2.gz NHTGNNPNULQXRU-YQVWRLOYSA-N 2 0 344.503 2.385 10 0 EEAERP CC1(C)[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535848 1206124525 /nfs/dbraw/zinc/12/45/25/1206124525.db2.gz LSQFZVWUPSCTLX-HYVNUMGLSA-N 2 0 331.460 2.250 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000925544420 1206125705 /nfs/dbraw/zinc/12/57/05/1206125705.db2.gz RAJKSQCWVSWIEC-ROUUACIJSA-N 3 0 345.535 2.089 10 0 EEAERP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925566628 1206129183 /nfs/dbraw/zinc/12/91/83/1206129183.db2.gz DXVWFQMWBBQQIQ-ZAWLATJESA-N 2 0 332.488 2.409 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000925567821 1206129415 /nfs/dbraw/zinc/12/94/15/1206129415.db2.gz LMCPAQHJFLUTKR-YUELXQCFSA-N 2 0 344.377 2.305 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H]([NH3+])C1 ZINC000925706106 1206144911 /nfs/dbraw/zinc/14/49/11/1206144911.db2.gz LFNHNHBZWCGFRE-MOPGFXCFSA-N 3 0 344.547 2.476 10 0 EEAERP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)n(C)c1C ZINC000925770966 1206152773 /nfs/dbraw/zinc/15/27/73/1206152773.db2.gz YCZLNQNXVGRKQV-NSHDSACASA-N 2 0 330.432 2.133 10 0 EEAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000925794497 1206154658 /nfs/dbraw/zinc/15/46/58/1206154658.db2.gz FJDIZIPTGSSEMY-HNBVOPMISA-N 2 0 331.504 2.284 10 0 EEAERP Cc1ncc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c(C)n1 ZINC000925806885 1206155747 /nfs/dbraw/zinc/15/57/47/1206155747.db2.gz CGDPVYYDLDHSJJ-HNNXBMFYSA-N 2 0 339.487 2.349 10 0 EEAERP CC(C)[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000925815588 1206157207 /nfs/dbraw/zinc/15/72/07/1206157207.db2.gz RXDQFIMPIAWPCU-KRWDZBQOSA-N 2 0 332.448 2.243 10 0 EEAERP Brc1cnn(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000925837833 1206158663 /nfs/dbraw/zinc/15/86/63/1206158663.db2.gz IGGOVQWFSXUTFO-FUNVUKJBSA-N 2 0 325.254 2.007 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837202 1206158719 /nfs/dbraw/zinc/15/87/19/1206158719.db2.gz COOLKPCOQYBDOO-YPMHNXCESA-N 2 0 327.270 2.242 10 0 EEAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(NS(C)(=O)=O)cc1 ZINC000925842295 1206159372 /nfs/dbraw/zinc/15/93/72/1206159372.db2.gz IVLJIVCDDMJJGU-IAOVAPTHSA-N 2 0 337.489 2.241 10 0 EEAERP COc1cc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1F ZINC000925856907 1206161620 /nfs/dbraw/zinc/16/16/20/1206161620.db2.gz OETDQZQSNRXKSH-GXTWGEPZSA-N 2 0 336.407 2.170 10 0 EEAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000926126880 1206196019 /nfs/dbraw/zinc/19/60/19/1206196019.db2.gz SHOFVVYTBUMHMF-AABGKKOBSA-N 2 0 332.488 2.404 10 0 EEAERP CC1([NH+]2CCC2)CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000927290189 1206251015 /nfs/dbraw/zinc/25/10/15/1206251015.db2.gz MBOMAVPNYNTEKO-HFCFLWKCSA-N 2 0 332.492 2.049 10 0 EEAERP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000928446738 1206385326 /nfs/dbraw/zinc/38/53/26/1206385326.db2.gz YJNZSBZNAWYMMZ-UWWQBHOKSA-N 2 0 333.451 2.247 10 0 EEAERP C[NH+]1CCC(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000929434388 1206474073 /nfs/dbraw/zinc/47/40/73/1206474073.db2.gz RGTVIUXGERVEHP-UHFFFAOYSA-N 2 0 345.487 2.009 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](COC)C(C)C)CC2)CC1 ZINC000930750691 1206579769 /nfs/dbraw/zinc/57/97/69/1206579769.db2.gz OVLYINKJYHQFMU-GOSISDBHSA-N 2 0 325.541 2.397 10 0 EEAERP c1cc(N2CCC[N@@H+](C[C@H]3CCC[C@@]4(CCOC4)O3)CC2)cc[nH+]1 ZINC001413012624 1216507866 /nfs/dbraw/zinc/50/78/66/1216507866.db2.gz RMPPMTUJHJBAPB-MOPGFXCFSA-N 2 0 331.460 2.322 10 0 EEAERP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000900895666 1234969825 /nfs/dbraw/zinc/96/98/25/1234969825.db2.gz ALHQUAYNXIFWMQ-QGZVFWFLSA-N 2 0 327.472 2.205 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000902924991 1239105351 /nfs/dbraw/zinc/10/53/51/1239105351.db2.gz DLYNRFWOARFYCL-YJBOKZPZSA-N 2 0 330.476 2.043 10 0 EEAERP c1cc(N2CCN(CCC[NH2+][C@@H]3CCOC34CCCC4)CC2)cc[nH+]1 ZINC000903085518 1239696051 /nfs/dbraw/zinc/69/60/51/1239696051.db2.gz DKLOUBOCLBPTKK-LJQANCHMSA-N 2 0 344.503 2.285 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(Cl)c1F)C2 ZINC000903493788 1240662376 /nfs/dbraw/zinc/66/23/76/1240662376.db2.gz WUBFDBOTKYNCMI-OZVIIMIRSA-N 2 0 326.799 2.191 10 0 EEAERP COc1cc(-c2noc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)n2)ccc1C ZINC000903498252 1240682921 /nfs/dbraw/zinc/68/29/21/1240682921.db2.gz AELSBTVQWHYILY-UKRRQHHQSA-N 2 0 330.432 2.470 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCOc2ccccc2C)cnn1C ZINC000903876128 1242275040 /nfs/dbraw/zinc/27/50/40/1242275040.db2.gz DEPDLQKONJAVBQ-KRWDZBQOSA-N 2 0 330.476 2.165 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cnn1C ZINC000903890304 1242346612 /nfs/dbraw/zinc/34/66/12/1242346612.db2.gz BVINHNYALWCQHJ-DOTOQJQBSA-N 2 0 330.451 2.475 10 0 EEAERP Cc1csc([C@@H]2CC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903937782 1242585497 /nfs/dbraw/zinc/58/54/97/1242585497.db2.gz RDHFCFIUGQKOJW-LSDHHAIUSA-N 2 0 333.505 2.100 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001491056162 1258625297 /nfs/dbraw/zinc/62/52/97/1258625297.db2.gz UQNBNQDVZXGAQR-JLRVFIEWSA-N 2 0 331.863 2.188 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491184266 1258749085 /nfs/dbraw/zinc/74/90/85/1258749085.db2.gz JPIAPHQZNUKDGX-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000851643889 1277698839 /nfs/dbraw/zinc/69/88/39/1277698839.db2.gz IGNMKUQXKPDJSN-OALUTQOASA-N 2 0 339.439 2.029 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001273644690 1282119204 /nfs/dbraw/zinc/11/92/04/1282119204.db2.gz CZODXBQJUCJFTO-KRWDZBQOSA-N 2 0 332.492 2.284 10 0 EEAERP CCCCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001273656225 1282424487 /nfs/dbraw/zinc/42/44/87/1282424487.db2.gz WUMUYKHCKSLTHM-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001277866161 1304973896 /nfs/dbraw/zinc/97/38/96/1304973896.db2.gz QFUDEROLEBCYID-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001488786110 1290229025 /nfs/dbraw/zinc/22/90/25/1290229025.db2.gz UBJRJCJJEQQCGK-GASCZTMLSA-N 2 0 338.521 2.086 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001490308853 1291180482 /nfs/dbraw/zinc/18/04/82/1291180482.db2.gz GGVNNRIKNAIWRV-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490449147 1291315881 /nfs/dbraw/zinc/31/58/81/1291315881.db2.gz SSKBVJGBWFATPC-QGZVFWFLSA-N 2 0 341.540 2.218 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC001490606990 1291518236 /nfs/dbraw/zinc/51/82/36/1291518236.db2.gz CCQWXUUGIWKIOV-SFHVURJKSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001490702032 1291635603 /nfs/dbraw/zinc/63/56/03/1291635603.db2.gz WMVYNVHRRUGTNQ-CZUORRHYSA-N 2 0 344.459 2.325 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844689 1292214468 /nfs/dbraw/zinc/21/44/68/1292214468.db2.gz JRNSGOYVRMCPIF-KBPBESRZSA-N 2 0 338.883 2.422 10 0 EEAERP C[NH+](C)CC1CCN(c2ccc(NC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000852870280 1292221432 /nfs/dbraw/zinc/22/14/32/1292221432.db2.gz BYSUMDNLYWKUHN-UHFFFAOYSA-N 2 0 330.476 2.285 10 0 EEAERP CN1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000852885847 1292225600 /nfs/dbraw/zinc/22/56/00/1292225600.db2.gz CZJMSDMYROEOBO-SJLPKXTDSA-N 2 0 335.398 2.136 10 0 EEAERP O=C(OCc1ccccc1)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000854228280 1292679458 /nfs/dbraw/zinc/67/94/58/1292679458.db2.gz UFGRIEWCKRLWLA-UHFFFAOYSA-N 2 0 329.444 2.129 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000863643138 1296360843 /nfs/dbraw/zinc/36/08/43/1296360843.db2.gz HWFNUKARDLIUKO-DSLXNQLJSA-N 2 0 341.455 2.047 10 0 EEAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931367908 1297162075 /nfs/dbraw/zinc/16/20/75/1297162075.db2.gz DXHWWXJCCBAAOV-HOTGVXAUSA-N 2 0 328.460 2.199 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCCCCF)C2)CC1 ZINC001491169486 1299650274 /nfs/dbraw/zinc/65/02/74/1299650274.db2.gz BBXZMDVLFBVSKJ-MRXNPFEDSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@H](CCC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C1CC[NH+](C)CC1 ZINC001277291640 1302218982 /nfs/dbraw/zinc/21/89/82/1302218982.db2.gz RQUPSSWUPVDYGX-NVXWUHKLSA-N 2 0 339.524 2.018 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001277335364 1302477790 /nfs/dbraw/zinc/47/77/90/1302477790.db2.gz NHPHYXQMDYOTKO-CQSZACIVSA-N 2 0 348.491 2.016 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001277755359 1304347212 /nfs/dbraw/zinc/34/72/12/1304347212.db2.gz HNNWVAUDSHGHJO-GJZGRUSLSA-N 2 0 345.422 2.210 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C(C)C)[C@@H](C)C1 ZINC001277762987 1304362629 /nfs/dbraw/zinc/36/26/29/1304362629.db2.gz HDISBUYNJAJRGD-HOTGVXAUSA-N 2 0 336.480 2.012 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001277771439 1304379966 /nfs/dbraw/zinc/37/99/66/1304379966.db2.gz NSBULSXYZCFQGH-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](NCC(F)(F)C(F)F)C[C@H]1C ZINC001277777979 1304395439 /nfs/dbraw/zinc/39/54/39/1304395439.db2.gz YOCXITYEJGFIEX-NEPJUHHUSA-N 2 0 341.393 2.198 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC001278251172 1308915227 /nfs/dbraw/zinc/91/52/27/1308915227.db2.gz LXUVIDXPRKXHNO-DOTOQJQBSA-N 2 0 344.459 2.262 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001278300201 1309150241 /nfs/dbraw/zinc/15/02/41/1309150241.db2.gz GDPLONRHSCHTMJ-SJLPKXTDSA-N 2 0 335.467 2.100 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)CN1C(=O)CCCC[NH+](C)C ZINC001278417325 1310172737 /nfs/dbraw/zinc/17/27/37/1310172737.db2.gz UWZCTKSRHQUHNX-GDBMZVCRSA-N 2 0 348.491 2.363 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)s1 ZINC001278417745 1310174442 /nfs/dbraw/zinc/17/44/42/1310174442.db2.gz XBMHXUCOKBBLEB-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP O=C(NC1CCC([NH+]2CCCCC2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841855427 1315624641 /nfs/dbraw/zinc/62/46/41/1315624641.db2.gz ORCXXRPIOFROJZ-YMAMQOFZSA-N 2 0 344.450 2.080 10 0 EEAERP Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)cc1 ZINC000843386412 1315904896 /nfs/dbraw/zinc/90/48/96/1315904896.db2.gz HIUKDSZAWWLCJB-ZIFCJYIRSA-N 2 0 327.472 2.422 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCOC(C)C)[C@@H]1C ZINC001264175417 1322648055 /nfs/dbraw/zinc/64/80/55/1322648055.db2.gz JYRBCCOKDJDWBE-FGTMMUONSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2cc(F)ccc2F)C1 ZINC001265037267 1322880352 /nfs/dbraw/zinc/88/03/52/1322880352.db2.gz TUHPWHJWUWHBFN-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CCCCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265386750 1323113515 /nfs/dbraw/zinc/11/35/15/1323113515.db2.gz MEDQVUJGHTZQGC-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)C1)[NH+](C)C ZINC001265555662 1323218906 /nfs/dbraw/zinc/21/89/06/1323218906.db2.gz DCAZRDKNUXFKTK-FGTMMUONSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001265571614 1323225620 /nfs/dbraw/zinc/22/56/20/1323225620.db2.gz USPYICNFYRXSHP-ZACQAIPSSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCOC)c1ccccc1 ZINC001265687810 1323321677 /nfs/dbraw/zinc/32/16/77/1323321677.db2.gz HNGPFBHCMWPEPE-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1c(F)cccc1F ZINC001265758683 1323366532 /nfs/dbraw/zinc/36/65/32/1323366532.db2.gz IGFFYBOPAJBTPW-GUYCJALGSA-N 2 0 339.430 2.086 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cc(F)ccc1F)[NH+](C)C ZINC001265866374 1323439446 /nfs/dbraw/zinc/43/94/46/1323439446.db2.gz RHYNBBGADRGQEZ-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001266031336 1323582426 /nfs/dbraw/zinc/58/24/26/1323582426.db2.gz APWQSORNQQCQIT-JNLAIUADSA-N 2 0 329.488 2.480 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001266108820 1323675727 /nfs/dbraw/zinc/67/57/27/1323675727.db2.gz HIKFWMHWMVZDGK-HXUWFJFHSA-N 2 0 343.515 2.455 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1 ZINC001266155517 1323725287 /nfs/dbraw/zinc/72/52/87/1323725287.db2.gz ONXFEFPXSHUEKP-SJLPKXTDSA-N 2 0 333.476 2.034 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001279669014 1323974470 /nfs/dbraw/zinc/97/44/70/1323974470.db2.gz OFKWKSHQOPKJCD-AWEZNQCLSA-N 2 0 333.398 2.029 10 0 EEAERP COCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001281293759 1324941002 /nfs/dbraw/zinc/94/10/02/1324941002.db2.gz VYMNDHCAVBXSNW-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC001281456574 1325120480 /nfs/dbraw/zinc/12/04/80/1325120480.db2.gz CVWVURMGUZXEQK-KSSFIOAISA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001281475713 1325146298 /nfs/dbraw/zinc/14/62/98/1325146298.db2.gz KHZLXRHPOILMHW-PKOBYXMFSA-N 2 0 347.503 2.232 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCc2ccccc2)C[C@H]1C ZINC001284035103 1326373691 /nfs/dbraw/zinc/37/36/91/1326373691.db2.gz ZJNFMFDUMNRZIM-MJGOQNOKSA-N 2 0 347.503 2.122 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)c(F)c1 ZINC001285014676 1326829281 /nfs/dbraw/zinc/82/92/81/1326829281.db2.gz FDWXSYPFSLJOMM-CQSZACIVSA-N 2 0 339.430 2.375 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491581015 1330172569 /nfs/dbraw/zinc/17/25/69/1330172569.db2.gz YZOMUPZSFHDUFJ-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3cncc(F)c3)C2)CC1 ZINC001491881771 1330287428 /nfs/dbraw/zinc/28/74/28/1330287428.db2.gz JIEFHRQLPIRUJB-SJORKVTESA-N 2 0 348.466 2.080 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)oc1C ZINC001491895972 1330294106 /nfs/dbraw/zinc/29/41/06/1330294106.db2.gz JOCOXBZMRYQRAD-HOTGVXAUSA-N 2 0 336.480 2.149 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccc(F)cn1 ZINC001492143998 1331005084 /nfs/dbraw/zinc/00/50/84/1331005084.db2.gz OQUSXVOISNTGSQ-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001316680389 1331312170 /nfs/dbraw/zinc/31/21/70/1331312170.db2.gz QWVFAXWJODVBIE-WMZOPIPTSA-N 2 0 349.523 2.075 10 0 EEAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001316772541 1331829578 /nfs/dbraw/zinc/82/95/78/1331829578.db2.gz PCCDKIBNRJAKTM-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001316803000 1331900989 /nfs/dbraw/zinc/90/09/89/1331900989.db2.gz GMWMMBCZFJHDPD-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316880483 1331947595 /nfs/dbraw/zinc/94/75/95/1331947595.db2.gz PNIBWRYTLQQGEB-IAGOWNOFSA-N 2 0 327.513 2.111 10 0 EEAERP CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C[C@H]1CCOC1 ZINC001316894609 1331961017 /nfs/dbraw/zinc/96/10/17/1331961017.db2.gz CPCZGHFDMUZQIP-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001317091261 1332075434 /nfs/dbraw/zinc/07/54/34/1332075434.db2.gz OBEZEMWQRHXRNI-SHTZXODSSA-N 2 0 348.491 2.022 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21 ZINC001317213629 1332138757 /nfs/dbraw/zinc/13/87/57/1332138757.db2.gz MIEQCMYMLQEFAY-KLTZCBCKSA-N 2 0 333.520 2.201 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317266446 1332158692 /nfs/dbraw/zinc/15/86/92/1332158692.db2.gz WULAISPWVDPPOC-AEFFLSMTSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001318725655 1332583085 /nfs/dbraw/zinc/58/30/85/1332583085.db2.gz ATMIDRYAVQZCBO-QAPCUYQASA-N 2 0 327.488 2.341 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001318802365 1332599972 /nfs/dbraw/zinc/59/99/72/1332599972.db2.gz ASJAMWXVJVHPDK-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cncc(C)c2)CC1 ZINC001318928240 1332625405 /nfs/dbraw/zinc/62/54/05/1332625405.db2.gz FVJKBYBRHHGNHU-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319435396 1332700724 /nfs/dbraw/zinc/70/07/24/1332700724.db2.gz CMTUDHWIEPMKCW-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001319478859 1332709624 /nfs/dbraw/zinc/70/96/24/1332709624.db2.gz WNMGZWJCZGESSS-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cncs1 ZINC001319715850 1332749432 /nfs/dbraw/zinc/74/94/32/1332749432.db2.gz SCWZKDCGIAKAIQ-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320549274 1332907705 /nfs/dbraw/zinc/90/77/05/1332907705.db2.gz QEHWLLLJJDRJDO-CYBMUJFWSA-N 2 0 326.510 2.105 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001321208624 1333044881 /nfs/dbraw/zinc/04/48/81/1333044881.db2.gz BAPOACBWXBVOEA-WHLIDYPQSA-N 2 0 345.462 2.417 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)COC1CC[NH+](C)CC1)c1ccccc1 ZINC001322771187 1333323853 /nfs/dbraw/zinc/32/38/53/1333323853.db2.gz ZLQWWXLUGFCAHB-QGZVFWFLSA-N 2 0 347.503 2.297 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1oc(C)nc1C ZINC001322852402 1333341316 /nfs/dbraw/zinc/34/13/16/1333341316.db2.gz NYSQFUXFTSYRID-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CC1CC(F)(F)C1 ZINC001323372308 1333451672 /nfs/dbraw/zinc/45/16/72/1333451672.db2.gz UMUXECFSEDSQCN-MRXNPFEDSA-N 2 0 343.462 2.488 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)C1 ZINC001324214519 1333636459 /nfs/dbraw/zinc/63/64/59/1333636459.db2.gz ZLZZSDYOGHMKIK-TWZSPHTKSA-N 2 0 327.900 2.442 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324944257 1333792973 /nfs/dbraw/zinc/79/29/73/1333792973.db2.gz PYQFSCBNELHJMB-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001326404310 1334086227 /nfs/dbraw/zinc/08/62/27/1334086227.db2.gz QATPBRNQKQBIJH-CYBMUJFWSA-N 2 0 336.307 2.475 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001327860049 1334356519 /nfs/dbraw/zinc/35/65/19/1334356519.db2.gz GNAIPGOKQYXNFF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001327904900 1334362001 /nfs/dbraw/zinc/36/20/01/1334362001.db2.gz SMXWZCJWAXBOSL-ZFWWWQNUSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](C(=O)NC1(C[NH2+]CCCO)CCCCC1)[NH+]1CCCCCC1 ZINC001329849682 1334727081 /nfs/dbraw/zinc/72/70/81/1334727081.db2.gz SJGXTRYDENQHAH-QGZVFWFLSA-N 2 0 339.524 2.042 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001330976527 1334939331 /nfs/dbraw/zinc/93/93/31/1334939331.db2.gz JLFYZVHTGRVOGE-ZFWWWQNUSA-N 2 0 339.430 2.291 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CCOCC1)C(C)(C)C ZINC001332839589 1335917107 /nfs/dbraw/zinc/91/71/07/1335917107.db2.gz YHRKMNZJCZJYQH-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001333377191 1336025290 /nfs/dbraw/zinc/02/52/90/1336025290.db2.gz FKXZYNIXSLDGLY-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001333391905 1336030862 /nfs/dbraw/zinc/03/08/62/1336030862.db2.gz SKWLOBFARRYCOK-UHFFFAOYSA-N 2 0 329.435 2.122 10 0 EEAERP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001333446784 1336048822 /nfs/dbraw/zinc/04/88/22/1336048822.db2.gz AHOXAQVZHVGQJD-OVKVCFKUSA-N 2 0 349.519 2.202 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2)C(=O)C[NH+]1CCCC1 ZINC001436330887 1342034545 /nfs/dbraw/zinc/03/45/45/1342034545.db2.gz NJSBPNKYZAMUGI-FQEVSTJZSA-N 2 0 341.499 2.304 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001673380994 1356680207 /nfs/dbraw/zinc/68/02/07/1356680207.db2.gz PSICNNMNKKXTIA-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncc(C[N@H+](CCCNC(=O)C23CC[NH+](CC2)C3)C2CC2)s1 ZINC001566600713 1342573831 /nfs/dbraw/zinc/57/38/31/1342573831.db2.gz KKERCZXGGTZXSD-UHFFFAOYSA-N 2 0 348.516 2.018 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cc1C ZINC001566678995 1342599738 /nfs/dbraw/zinc/59/97/38/1342599738.db2.gz JPIVIVWZWOHPDS-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496818 1342769751 /nfs/dbraw/zinc/76/97/51/1342769751.db2.gz YVIDRNMVRUTKAH-INIZCTEOSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001569522553 1342892416 /nfs/dbraw/zinc/89/24/16/1342892416.db2.gz NEXUGXIGFMOIMB-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569915981 1342976455 /nfs/dbraw/zinc/97/64/55/1342976455.db2.gz WERFVBKICUKSPP-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001569998082 1342994089 /nfs/dbraw/zinc/99/40/89/1342994089.db2.gz HCNVFUVXYBQKPE-GOSISDBHSA-N 2 0 346.519 2.368 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001676215930 1357122200 /nfs/dbraw/zinc/12/22/00/1357122200.db2.gz VJLZCEDGKVCUPW-YNINQOBDSA-N 2 0 327.900 2.296 10 0 EEAERP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001676454068 1357152856 /nfs/dbraw/zinc/15/28/56/1357152856.db2.gz BUOHSZUBFHNDRP-INIZCTEOSA-N 2 0 341.540 2.360 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H]1C ZINC001676686559 1357180883 /nfs/dbraw/zinc/18/08/83/1357180883.db2.gz OIVHVGDNGOLWLF-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766707 1357196616 /nfs/dbraw/zinc/19/66/16/1357196616.db2.gz HSGFKSXIUQCSHP-ZBFHGGJFSA-N 2 0 336.480 2.048 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001677621353 1357375193 /nfs/dbraw/zinc/37/51/93/1357375193.db2.gz PHRYINGYHIJXDW-OAHLLOKOSA-N 2 0 341.446 2.122 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001656899431 1354296289 /nfs/dbraw/zinc/29/62/89/1354296289.db2.gz ORCAYHQSPMRNSY-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2cnoc2C)C1 ZINC001660273496 1354428570 /nfs/dbraw/zinc/42/85/70/1354428570.db2.gz ZJBROTMRROYJFI-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3Cl)C2)C1 ZINC001661505711 1354647160 /nfs/dbraw/zinc/64/71/60/1354647160.db2.gz DUXDLFVJZPOACF-ULQDDVLXSA-N 2 0 349.906 2.461 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001661861281 1354712017 /nfs/dbraw/zinc/71/20/17/1354712017.db2.gz KPKUCRXDEUSGJX-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001662219927 1354764812 /nfs/dbraw/zinc/76/48/12/1354764812.db2.gz RHGSRSYLCMEKEH-LPHOPBHVSA-N 2 0 329.488 2.055 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001662778110 1354844463 /nfs/dbraw/zinc/84/44/63/1354844463.db2.gz CJJCQIJYIFXQRA-CVEARBPZSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791725 1354848117 /nfs/dbraw/zinc/84/81/17/1354848117.db2.gz ROVNUKHJAJZTAC-HZPDHXFCSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001663008649 1354887141 /nfs/dbraw/zinc/88/71/41/1354887141.db2.gz LUJOZLARWCVIJJ-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(Cl)nc1 ZINC001663419140 1354960484 /nfs/dbraw/zinc/96/04/84/1354960484.db2.gz CXOQLWLZOPYEPZ-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC001663942428 1355057809 /nfs/dbraw/zinc/05/78/09/1355057809.db2.gz TZLOTTYHUOFWRZ-IUODEOHRSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)no1 ZINC001667278750 1355696341 /nfs/dbraw/zinc/69/63/41/1355696341.db2.gz DDOLMGNCMZUBQK-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001668059343 1355858026 /nfs/dbraw/zinc/85/80/26/1355858026.db2.gz FDJXLFYAMORMQE-BBRMVZONSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274041 1355913667 /nfs/dbraw/zinc/91/36/67/1355913667.db2.gz NEKUKVWUAIBMAU-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001669182856 1356118833 /nfs/dbraw/zinc/11/88/33/1356118833.db2.gz ISHJNZGGGULZEO-XFHJGTJQSA-N 2 0 329.488 2.326 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001669715944 1356198369 /nfs/dbraw/zinc/19/83/69/1356198369.db2.gz PDXPSKHQCFIHQJ-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CCc2ccccc2)CC1 ZINC001670291371 1356312906 /nfs/dbraw/zinc/31/29/06/1356312906.db2.gz JNMFNGBXTHFXKJ-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CN1CCO[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001671720879 1356402393 /nfs/dbraw/zinc/40/23/93/1356402393.db2.gz UVRVATMQUUNXRB-UYAOXDASSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C[NH2+]CCF ZINC001672299881 1356497397 /nfs/dbraw/zinc/49/73/97/1356497397.db2.gz PMKONXQRMNPAFD-CVEARBPZSA-N 2 0 327.488 2.152 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001672818973 1356591881 /nfs/dbraw/zinc/59/18/81/1356591881.db2.gz AYXQFZBBCSTWFN-GDBMZVCRSA-N 2 0 344.459 2.119 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001674389164 1356826203 /nfs/dbraw/zinc/82/62/03/1356826203.db2.gz ORSXWRSUDNRNLP-KSZLIROESA-N 2 0 337.508 2.011 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001675258014 1356953639 /nfs/dbraw/zinc/95/36/39/1356953639.db2.gz MKHFOFLOKGIVBR-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001675953004 1357076434 /nfs/dbraw/zinc/07/64/34/1357076434.db2.gz GPIAQVWUSLHXJQ-AEFFLSMTSA-N 2 0 349.523 2.323 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CC[C@@H]2CCCO2)ccc2c[nH+]cn21 ZINC001698754409 1405044112 /nfs/dbraw/zinc/04/41/12/1405044112.db2.gz XUZPQXYZIMDSIT-YOEHRIQHSA-N 2 0 344.459 2.167 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698860869 1405117420 /nfs/dbraw/zinc/11/74/20/1405117420.db2.gz MBSRYZSFLRHKHT-ZDUSSCGKSA-N 2 0 326.872 2.012 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001698896907 1405136933 /nfs/dbraw/zinc/13/69/33/1405136933.db2.gz CPBDYDCXQVFGHX-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001699111247 1405267285 /nfs/dbraw/zinc/26/72/85/1405267285.db2.gz ZAONKGDUVMAXJV-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699116565 1405270998 /nfs/dbraw/zinc/27/09/98/1405270998.db2.gz ZBSJJBFSNICWHW-CZUORRHYSA-N 2 0 336.480 2.014 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)C[NH+]1CCCC1 ZINC001699550052 1405385696 /nfs/dbraw/zinc/38/56/96/1405385696.db2.gz DCMIRWDSAAZLOI-SFHVURJKSA-N 2 0 333.451 2.347 10 0 EEAERP C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000705977473 784912756 /nfs/dbraw/zinc/91/27/56/784912756.db2.gz ZGYWDKOSECGXMT-OAHLLOKOSA-N 2 0 343.512 2.190 10 0 EEAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000819174794 785447567 /nfs/dbraw/zinc/44/75/67/785447567.db2.gz RMFFOGBDGCAEAP-CEXWTWQISA-N 2 0 336.451 2.135 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288464 788987841 /nfs/dbraw/zinc/98/78/41/788987841.db2.gz UCJSRWAVUBSFHX-WMZOPIPTSA-N 2 0 335.492 2.414 10 0 EEAERP c1ccc2c(c1)CCN2CC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923323493 789382334 /nfs/dbraw/zinc/38/23/34/789382334.db2.gz ZVLZYKVSZSXRRN-IBGZPJMESA-N 2 0 341.499 2.140 10 0 EEAERP Fc1ccc(C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CCOCC2)cc1 ZINC000923370732 789448004 /nfs/dbraw/zinc/44/80/04/789448004.db2.gz JNZIHAGHTVSLQQ-SFHVURJKSA-N 2 0 334.435 2.185 10 0 EEAERP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000923495216 789652571 /nfs/dbraw/zinc/65/25/71/789652571.db2.gz ABOISXCDYRNYBB-OCCSQVGLSA-N 2 0 343.427 2.168 10 0 EEAERP [NH3+]CCCCCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000846219957 790091869 /nfs/dbraw/zinc/09/18/69/790091869.db2.gz DTHRCPPGMZJVCD-UHFFFAOYSA-N 2 0 341.297 2.485 10 0 EEAERP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687517 794106418 /nfs/dbraw/zinc/10/64/18/794106418.db2.gz MIELKEDEZAKGHF-LWYYNNOASA-N 2 0 339.483 2.489 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913870243 794437329 /nfs/dbraw/zinc/43/73/29/794437329.db2.gz SWUDVANFPVAOCJ-PMPSAXMXSA-N 2 0 334.464 2.198 10 0 EEAERP CSCc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000921747027 795726366 /nfs/dbraw/zinc/72/63/66/795726366.db2.gz KXUMYPCOCRALNQ-LJQANCHMSA-N 2 0 349.544 2.046 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000922063399 798797553 /nfs/dbraw/zinc/79/75/53/798797553.db2.gz IHSCLJWIASMVKI-AYOQOUSVSA-N 2 0 344.503 2.289 10 0 EEAERP COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)C2 ZINC000790442571 808712037 /nfs/dbraw/zinc/71/20/37/808712037.db2.gz NJEBVHASIAJWMH-INIZCTEOSA-N 2 0 343.471 2.272 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC=C(C)C ZINC001565997992 1125494196 /nfs/dbraw/zinc/49/41/96/1125494196.db2.gz OUKFRQCXXVCJPT-MANSERQUSA-N 2 0 333.520 2.463 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(CF)cc1 ZINC001566508853 1125679023 /nfs/dbraw/zinc/67/90/23/1125679023.db2.gz RWWZCOZGZUAOAT-SFHVURJKSA-N 2 0 335.467 2.436 10 0 EEAERP Cc1ccc(C)c(OCC[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001566516200 1125687870 /nfs/dbraw/zinc/68/78/70/1125687870.db2.gz CIASNNSPIDFFIW-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001436401110 1087747408 /nfs/dbraw/zinc/74/74/08/1087747408.db2.gz FFKXPARUVIBSFS-HDJSIYSDSA-N 2 0 339.430 2.289 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](CC4CCCC4)CC[C@@H]3C2)CC1 ZINC001436461141 1087911881 /nfs/dbraw/zinc/91/18/81/1087911881.db2.gz RPHQCCJCIIBIEL-MSOLQXFVSA-N 2 0 333.520 2.299 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436666205 1088100809 /nfs/dbraw/zinc/10/08/09/1088100809.db2.gz LHMKLGZQYCNQMG-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436794818 1088363994 /nfs/dbraw/zinc/36/39/94/1088363994.db2.gz YTGCMDRNINGIFW-JKSUJKDBSA-N 2 0 336.505 2.000 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC001436829138 1088437679 /nfs/dbraw/zinc/43/76/79/1088437679.db2.gz CDAGCUSFXTYOJZ-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001436935700 1088608651 /nfs/dbraw/zinc/60/86/51/1088608651.db2.gz QGLDBURAJYBJMK-WNGYAQOMSA-N 2 0 334.291 2.415 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nsc3ccccc23)C1 ZINC001436966798 1088658736 /nfs/dbraw/zinc/65/87/36/1088658736.db2.gz SOMQANBPQMEZKH-OKILXGFUSA-N 2 0 346.500 2.375 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437182216 1089217092 /nfs/dbraw/zinc/21/70/92/1089217092.db2.gz AMXAPYDHMSVBGL-LRDDRELGSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001437189114 1089231494 /nfs/dbraw/zinc/23/14/94/1089231494.db2.gz RDCIUDUGKBSWRP-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001437265668 1089413483 /nfs/dbraw/zinc/41/34/83/1089413483.db2.gz QOKPPACDBQOKRI-XJKSGUPXSA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001437311385 1089470011 /nfs/dbraw/zinc/47/00/11/1089470011.db2.gz MACJMTICXDILFU-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001437327185 1089497162 /nfs/dbraw/zinc/49/71/62/1089497162.db2.gz LBPWJJNNWWQTPS-MSOLQXFVSA-N 2 0 349.523 2.241 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001437353099 1089571006 /nfs/dbraw/zinc/57/10/06/1089571006.db2.gz UGQFUKSMJWPJSP-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001437539859 1089989902 /nfs/dbraw/zinc/98/99/02/1089989902.db2.gz QUMGVXQJFONGCL-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+](C)CC[C@@H]2CCCCO2)c1 ZINC001437567074 1090048696 /nfs/dbraw/zinc/04/86/96/1090048696.db2.gz WJSDMRYIFCUXQF-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccc(C)nc1C ZINC001437613613 1090122411 /nfs/dbraw/zinc/12/24/11/1090122411.db2.gz CZEUCCANOWCJEK-WMZOPIPTSA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723845 1090277751 /nfs/dbraw/zinc/27/77/51/1090277751.db2.gz FBGGWDPLNFIKNG-YJBOKZPZSA-N 2 0 325.472 2.047 10 0 EEAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001437787280 1090374215 /nfs/dbraw/zinc/37/42/15/1090374215.db2.gz XEFOTIFAKUUCSE-IBGZPJMESA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001437936825 1090529649 /nfs/dbraw/zinc/52/96/49/1090529649.db2.gz FOBKGCDUFRWWMZ-DLBZAZTESA-N 2 0 349.544 2.461 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001437990498 1090587409 /nfs/dbraw/zinc/58/74/09/1090587409.db2.gz JQWWRNYBPIRPFF-KRWDZBQOSA-N 2 0 342.487 2.400 10 0 EEAERP COC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001437994152 1090593314 /nfs/dbraw/zinc/59/33/14/1090593314.db2.gz PCWUONGLSKQWPP-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)cc1 ZINC001438342522 1090818879 /nfs/dbraw/zinc/81/88/79/1090818879.db2.gz WKIQPRFJZRTAAE-WBVHZDCISA-N 2 0 333.476 2.021 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnccc1C ZINC001438377705 1090859862 /nfs/dbraw/zinc/85/98/62/1090859862.db2.gz QHIFVVPLDMRGNW-RTBURBONSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438720473 1091246868 /nfs/dbraw/zinc/24/68/68/1091246868.db2.gz JKIKZPUTRVXYHD-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001438722605 1091250495 /nfs/dbraw/zinc/25/04/95/1091250495.db2.gz HJBARHZTYRAXLO-MSOLQXFVSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438736557 1091283543 /nfs/dbraw/zinc/28/35/43/1091283543.db2.gz REDHIGYLCOAVAB-SJLPKXTDSA-N 2 0 335.467 2.398 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001445656850 1091444886 /nfs/dbraw/zinc/44/48/86/1091444886.db2.gz OPTOCYHCWWKISH-GOEBONIOSA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001438829698 1091447608 /nfs/dbraw/zinc/44/76/08/1091447608.db2.gz MTZKQDKEJJVBRA-XLIONFOSSA-N 2 0 345.531 2.474 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001445753965 1091593610 /nfs/dbraw/zinc/59/36/10/1091593610.db2.gz KQEAJXNZFLBALJ-ZIAGYGMSSA-N 2 0 333.411 2.066 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445762266 1091612027 /nfs/dbraw/zinc/61/20/27/1091612027.db2.gz XIVHBZLOVWUPIR-BEFAXECRSA-N 2 0 347.478 2.412 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CCC[C@H]1CCOC1 ZINC001438939743 1091624637 /nfs/dbraw/zinc/62/46/37/1091624637.db2.gz UVYJVKIUSRMFFC-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001439114079 1091759198 /nfs/dbraw/zinc/75/91/98/1091759198.db2.gz FUVTUKGNHNTNBE-CJNGLKHVSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001445958053 1091904161 /nfs/dbraw/zinc/90/41/61/1091904161.db2.gz XQJKIHPEIBYRHD-CVEARBPZSA-N 2 0 336.505 2.000 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439400335 1092154901 /nfs/dbraw/zinc/15/49/01/1092154901.db2.gz NMJZBIPWXHGGFT-OAHLLOKOSA-N 2 0 333.451 2.188 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001439493618 1092319884 /nfs/dbraw/zinc/31/98/84/1092319884.db2.gz LHFLEHZSRSMKDR-IBGZPJMESA-N 2 0 340.471 2.248 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001439498014 1092330535 /nfs/dbraw/zinc/33/05/35/1092330535.db2.gz RBKWRPISLTYFGZ-GOEBONIOSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC001446274505 1092424670 /nfs/dbraw/zinc/42/46/70/1092424670.db2.gz JMBQICSYEPYRQX-OAHLLOKOSA-N 2 0 335.879 2.339 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001448604152 1093669780 /nfs/dbraw/zinc/66/97/80/1093669780.db2.gz SDNPMOVFKRGUEC-GOSISDBHSA-N 2 0 335.467 2.493 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](OC)C2CCCC2)[C@@H]1C ZINC001440491014 1093728228 /nfs/dbraw/zinc/72/82/28/1093728228.db2.gz UFBLBDAXSKAXCV-NJAFHUGGSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cnoc2C)C1 ZINC001448713123 1093784801 /nfs/dbraw/zinc/78/48/01/1093784801.db2.gz VQWOVUZAICUVGS-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H](C[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1)OC ZINC001440532685 1093794169 /nfs/dbraw/zinc/79/41/69/1093794169.db2.gz RDFSZDGUWYUBAB-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]Cc2nocc2C)CC1 ZINC001440534119 1093796017 /nfs/dbraw/zinc/79/60/17/1093796017.db2.gz YUXKSIYMSJYRDY-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001440536975 1093800916 /nfs/dbraw/zinc/80/09/16/1093800916.db2.gz ITFMUACEERDTQE-FQEVSTJZSA-N 2 0 344.503 2.156 10 0 EEAERP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001440611290 1093877269 /nfs/dbraw/zinc/87/72/69/1093877269.db2.gz VZXONDBRGCPNSA-UHFFFAOYSA-N 2 0 348.491 2.050 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)[C@H]1C ZINC001448981492 1093984513 /nfs/dbraw/zinc/98/45/13/1093984513.db2.gz WKMFEDCLLLSYCS-DGCLKSJQSA-N 2 0 344.912 2.216 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001449055740 1094071415 /nfs/dbraw/zinc/07/14/15/1094071415.db2.gz XJMGFAUOWNPZJS-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)Cc1ccc(F)cc1 ZINC001440921441 1094175637 /nfs/dbraw/zinc/17/56/37/1094175637.db2.gz DMNSDPOJKGWNSC-KBXCAEBGSA-N 2 0 333.451 2.104 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cn1)C(C)(C)C)[NH+](C)C ZINC001449308088 1094261993 /nfs/dbraw/zinc/26/19/93/1094261993.db2.gz JWSYLFUVVQGGON-CVEARBPZSA-N 2 0 338.471 2.181 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)s1 ZINC001449324632 1094276273 /nfs/dbraw/zinc/27/62/73/1094276273.db2.gz MTDMKZVHUJKLDH-OAHLLOKOSA-N 2 0 340.537 2.412 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001441015788 1094295243 /nfs/dbraw/zinc/29/52/43/1094295243.db2.gz XRORLNJKVRPMKF-CRAIPNDOSA-N 2 0 346.519 2.402 10 0 EEAERP CO[C@H](C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1)C1CCC1 ZINC001441017020 1094296360 /nfs/dbraw/zinc/29/63/60/1094296360.db2.gz UTQWBWMPKVFNSU-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C3(NC(=O)CCC[NH+](C)C)CC3)CC2)o1 ZINC001449399231 1094379753 /nfs/dbraw/zinc/37/97/53/1094379753.db2.gz GBQDEFLQGZXKMN-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)c1 ZINC001441190798 1094550095 /nfs/dbraw/zinc/55/00/95/1094550095.db2.gz HLLXNDLOWXRNCM-WOJBJXKFSA-N 2 0 341.499 2.321 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001441335186 1094807809 /nfs/dbraw/zinc/80/78/09/1094807809.db2.gz GHLJWJZZCNJKSQ-FGTMMUONSA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](CCOC)c2ccccc2)C1)[NH+](C)C ZINC001441341268 1094838763 /nfs/dbraw/zinc/83/87/63/1094838763.db2.gz KYPIQVSUHRCXSE-GBESFXJTSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)sn1 ZINC001441661999 1095629596 /nfs/dbraw/zinc/62/95/96/1095629596.db2.gz VRPNXUJIXSFZAA-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2o1 ZINC001442007705 1096210106 /nfs/dbraw/zinc/21/01/06/1096210106.db2.gz JRSNZZVEOWETPJ-CABCVRRESA-N 2 0 329.444 2.369 10 0 EEAERP CC(C)N(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001442127625 1096365796 /nfs/dbraw/zinc/36/57/96/1096365796.db2.gz OOGXUHVUIQIFSU-UHFFFAOYSA-N 2 0 343.462 2.296 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cccc3cccnc32)C1 ZINC001442254709 1096556815 /nfs/dbraw/zinc/55/68/15/1096556815.db2.gz QEBHJSPVVABMKT-UHFFFAOYSA-N 2 0 340.471 2.266 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001442342701 1096666038 /nfs/dbraw/zinc/66/60/38/1096666038.db2.gz SKMXQUTZYFKSBO-TZMCWYRMSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001442649927 1097016788 /nfs/dbraw/zinc/01/67/88/1097016788.db2.gz FASGMPXJZWPAAP-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC001442876550 1097270158 /nfs/dbraw/zinc/27/01/58/1097270158.db2.gz CWSAAUPJSMYQDK-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001442900161 1097302212 /nfs/dbraw/zinc/30/22/12/1097302212.db2.gz HQXMUPSKIZAUGZ-RBUKOAKNSA-N 2 0 329.488 2.275 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1C ZINC001443918123 1098439308 /nfs/dbraw/zinc/43/93/08/1098439308.db2.gz PSGWCFQIUSCVGR-RTBURBONSA-N 2 0 347.478 2.460 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C[C@H]1C)CC[NH+](CCCOC)CC2 ZINC001479502599 1098569986 /nfs/dbraw/zinc/56/99/86/1098569986.db2.gz OUAWAYJHFIKAAB-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444050006 1098574546 /nfs/dbraw/zinc/57/45/46/1098574546.db2.gz YSEDXQDOUFQBML-IRXDYDNUSA-N 2 0 328.460 2.104 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001479636571 1098664032 /nfs/dbraw/zinc/66/40/32/1098664032.db2.gz DSDNHTQWMAVXFJ-KSZLIROESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479692331 1098755692 /nfs/dbraw/zinc/75/56/92/1098755692.db2.gz KPXXYFBEEVWPER-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cn1nccc1C[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001479694099 1098762919 /nfs/dbraw/zinc/76/29/19/1098762919.db2.gz LGSVDYVXGFNPDY-QGZVFWFLSA-N 2 0 349.523 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001479695448 1098763248 /nfs/dbraw/zinc/76/32/48/1098763248.db2.gz LIKQHHCVNSQSGG-GOSISDBHSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1cncc(C[NH+]2CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001444234836 1098797309 /nfs/dbraw/zinc/79/73/09/1098797309.db2.gz OUTXXUHDYSFLQP-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCc1ccccc1F ZINC001479716394 1098798403 /nfs/dbraw/zinc/79/84/03/1098798403.db2.gz CNJSECKHEBVKSH-QAPCUYQASA-N 2 0 347.478 2.289 10 0 EEAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(F)cn1 ZINC001479787970 1098988884 /nfs/dbraw/zinc/98/88/84/1098988884.db2.gz IUEGGICHBPCBPS-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cnccc1C ZINC001479859505 1099167766 /nfs/dbraw/zinc/16/77/66/1099167766.db2.gz HHEBAEDDSJFBFD-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCCOc3ccccc3)C2)CCC1 ZINC001479955251 1099390575 /nfs/dbraw/zinc/39/05/75/1099390575.db2.gz PGKWIPBBEVFSFS-QGZVFWFLSA-N 2 0 345.487 2.130 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC12CC[NH+](C/C=C\Cl)CC2 ZINC001479981652 1099436445 /nfs/dbraw/zinc/43/64/45/1099436445.db2.gz QUYFEDIWONHNPQ-DNWYELSFSA-N 2 0 345.890 2.390 10 0 EEAERP C[C@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001480020494 1099498406 /nfs/dbraw/zinc/49/84/06/1099498406.db2.gz ISTRTJQXTPGXGN-GOEBONIOSA-N 2 0 327.488 2.483 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001480022794 1099501826 /nfs/dbraw/zinc/50/18/26/1099501826.db2.gz ACJFSMGVJCTLBX-HZPDHXFCSA-N 2 0 343.462 2.391 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCCC(F)(F)F)C1CC1 ZINC001480039137 1099536344 /nfs/dbraw/zinc/53/63/44/1099536344.db2.gz XSBXCNNKAVYWOS-ZIAGYGMSSA-N 2 0 335.414 2.298 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC001480045272 1099548660 /nfs/dbraw/zinc/54/86/60/1099548660.db2.gz VDFJEUFDPCOVJS-ZDUSSCGKSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)cs1 ZINC001480060529 1099584498 /nfs/dbraw/zinc/58/44/98/1099584498.db2.gz RSCSLWOWSSHSDL-MRXNPFEDSA-N 2 0 333.501 2.137 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001480064566 1099594017 /nfs/dbraw/zinc/59/40/17/1099594017.db2.gz BTWISPOCSSNANR-SJLPKXTDSA-N 2 0 348.491 2.088 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001480179578 1099764617 /nfs/dbraw/zinc/76/46/17/1099764617.db2.gz LALNXXWDZCRFEZ-HMQMGEFJSA-N 2 0 327.488 2.434 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CCF ZINC001444906445 1099971450 /nfs/dbraw/zinc/97/14/50/1099971450.db2.gz DRJRYSGKBWKHHR-SQNIBIBYSA-N 2 0 335.467 2.032 10 0 EEAERP O=C(Cn1ccnc1)NC[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC001480334904 1100098702 /nfs/dbraw/zinc/09/87/02/1100098702.db2.gz LFLQGJMICLZNSK-HNNXBMFYSA-N 2 0 332.473 2.158 10 0 EEAERP CC[C@H](C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001480357268 1100128354 /nfs/dbraw/zinc/12/83/54/1100128354.db2.gz QTWKIWUIZXLFNX-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001480361075 1100133763 /nfs/dbraw/zinc/13/37/63/1100133763.db2.gz HTRVMRSMWWWWTP-SJORKVTESA-N 2 0 341.540 2.096 10 0 EEAERP CCCCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001480404966 1100218828 /nfs/dbraw/zinc/21/88/28/1100218828.db2.gz JTTDBHKTLGWBPA-ABHNRTSZSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c(C)n1 ZINC001480536266 1100365737 /nfs/dbraw/zinc/36/57/37/1100365737.db2.gz DSNBCBQIPOGZEQ-OAHLLOKOSA-N 2 0 334.508 2.271 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001480548125 1100383973 /nfs/dbraw/zinc/38/39/73/1100383973.db2.gz IIWJJFHGJPEQLC-ZFWWWQNUSA-N 2 0 331.451 2.389 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC001480556570 1100396977 /nfs/dbraw/zinc/39/69/77/1100396977.db2.gz WKIVNRTZXMWENE-CYBMUJFWSA-N 2 0 346.500 2.421 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001480564326 1100407110 /nfs/dbraw/zinc/40/71/10/1100407110.db2.gz UCHJXYGXJIMQEX-KRWDZBQOSA-N 2 0 347.503 2.009 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001496247678 1100816773 /nfs/dbraw/zinc/81/67/73/1100816773.db2.gz GNCZTHXDPMJWTP-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)no1 ZINC001496412958 1101004876 /nfs/dbraw/zinc/00/48/76/1101004876.db2.gz DLOJQTKGJOBNMC-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001495481197 1101190712 /nfs/dbraw/zinc/19/07/12/1101190712.db2.gz GJPISVZOMVJXHU-BRWVUGGUSA-N 2 0 327.488 2.483 10 0 EEAERP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446717188 1101285221 /nfs/dbraw/zinc/28/52/21/1101285221.db2.gz JNHNGQWDPWRJHR-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001496737099 1101371414 /nfs/dbraw/zinc/37/14/14/1101371414.db2.gz APOCXFFSOIOCLT-HNNXBMFYSA-N 2 0 343.462 2.440 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cccnc1C)C2 ZINC001446922275 1101598585 /nfs/dbraw/zinc/59/85/85/1101598585.db2.gz ITMDBEXFZRNGLM-WDSOQIARSA-N 2 0 344.503 2.201 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001496886051 1101666463 /nfs/dbraw/zinc/66/64/63/1101666463.db2.gz DMGSTMDYOOLQAN-JSGCOSHPSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)c1 ZINC001495978164 1101880628 /nfs/dbraw/zinc/88/06/28/1101880628.db2.gz KKDUIINBEBONES-UHFFFAOYSA-N 2 0 329.488 2.371 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001496054220 1101986786 /nfs/dbraw/zinc/98/67/86/1101986786.db2.gz DRCKXJQIZVDOOD-CQSZACIVSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001447100411 1101991554 /nfs/dbraw/zinc/99/15/54/1101991554.db2.gz NZHDTEXDGPXMTG-UHFFFAOYSA-N 2 0 329.488 2.453 10 0 EEAERP CC(C)c1cnc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001496062189 1101996375 /nfs/dbraw/zinc/99/63/75/1101996375.db2.gz SPRIOAXOTXTGHA-RBSFLKMASA-N 2 0 336.480 2.075 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103926 1102068347 /nfs/dbraw/zinc/06/83/47/1102068347.db2.gz PGSDNUXIKCCRIV-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2cscn2)CC1 ZINC001447148705 1102085530 /nfs/dbraw/zinc/08/55/30/1102085530.db2.gz IKGTULVILWSPBB-JKSUJKDBSA-N 2 0 348.516 2.050 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cncs2)C1 ZINC001497257411 1102207584 /nfs/dbraw/zinc/20/75/84/1102207584.db2.gz XHEVCMQJEFVDKQ-HUUCEWRRSA-N 2 0 338.521 2.250 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001497261840 1102213989 /nfs/dbraw/zinc/21/39/89/1102213989.db2.gz GGKSYZJGNCICBB-CZUORRHYSA-N 2 0 340.899 2.306 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001497270372 1102226909 /nfs/dbraw/zinc/22/69/09/1102226909.db2.gz BNBHJVDWXWLFHU-WBVHZDCISA-N 2 0 347.503 2.330 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497271913 1102230404 /nfs/dbraw/zinc/23/04/04/1102230404.db2.gz PKSIOVFPYKNGKT-KGLIPLIRSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC001497272253 1102231622 /nfs/dbraw/zinc/23/16/22/1102231622.db2.gz QVCAOOAXMAVPCS-STQMWFEESA-N 2 0 338.521 2.086 10 0 EEAERP Cc1ccncc1C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001447351652 1102504350 /nfs/dbraw/zinc/50/43/50/1102504350.db2.gz VLPXNLHYFOTLJO-ROUUACIJSA-N 2 0 346.519 2.401 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001497486344 1102565057 /nfs/dbraw/zinc/56/50/57/1102565057.db2.gz LTWYTMDHMJFTCY-UHFFFAOYSA-N 2 0 343.515 2.325 10 0 EEAERP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001447407995 1102603134 /nfs/dbraw/zinc/60/31/34/1102603134.db2.gz PKXPPRWESNYKER-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001497725265 1102970587 /nfs/dbraw/zinc/97/05/87/1102970587.db2.gz KJOCJRCZHSISEJ-URWSZGRFSA-N 2 0 344.912 2.145 10 0 EEAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC001447819608 1103385808 /nfs/dbraw/zinc/38/58/08/1103385808.db2.gz KDTPOVZTWCMAIT-LEHRNKBSSA-N 2 0 348.491 2.123 10 0 EEAERP Cc1nc(C[N@H+]2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001494049132 1103427645 /nfs/dbraw/zinc/42/76/45/1103427645.db2.gz VDHQOOPPHZJIMI-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1cnc([C@H](C)[NH+](C)C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001494178819 1103651493 /nfs/dbraw/zinc/65/14/93/1103651493.db2.gz NHUYFIISXNZMQV-HOTGVXAUSA-N 2 0 336.480 2.165 10 0 EEAERP Cc1nc(C[NH2+][C@H](CCN(C)C(=O)C[NH+]2CCCC2)C(C)C)co1 ZINC001448219152 1104200940 /nfs/dbraw/zinc/20/09/40/1104200940.db2.gz IVEDVXFABFGWOJ-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001448221978 1104206408 /nfs/dbraw/zinc/20/64/08/1104206408.db2.gz QMVMIUFNMBTCCM-IAGOWNOFSA-N 2 0 339.499 2.485 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(COC)cc2)C1 ZINC001494863886 1104470516 /nfs/dbraw/zinc/47/05/16/1104470516.db2.gz OVTYCOWBAWXOSF-IBGZPJMESA-N 2 0 347.503 2.208 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497992985 1106751735 /nfs/dbraw/zinc/75/17/35/1106751735.db2.gz LFMSNBVDCSTJDR-QAPCUYQASA-N 2 0 332.492 2.105 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CCCc2ccsc2)C1)C12CCC[NH+]1CCC2 ZINC001480617115 1106775005 /nfs/dbraw/zinc/77/50/05/1106775005.db2.gz SOWRVLOJUDIMHE-KRWDZBQOSA-N 2 0 347.528 2.500 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480693174 1106895830 /nfs/dbraw/zinc/89/58/30/1106895830.db2.gz MKEJYVXBDWSXJI-IAGOWNOFSA-N 2 0 339.524 2.304 10 0 EEAERP CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001480723107 1106971968 /nfs/dbraw/zinc/97/19/68/1106971968.db2.gz BADPTYBQFSSDEJ-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CCCC[N@H+]2C)co1 ZINC001480825274 1107201336 /nfs/dbraw/zinc/20/13/36/1107201336.db2.gz BGIGOSFXFDJLHE-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCOCC1 ZINC001498299900 1107244190 /nfs/dbraw/zinc/24/41/90/1107244190.db2.gz NFNPEUMYJKRNPW-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001493162805 1107621203 /nfs/dbraw/zinc/62/12/03/1107621203.db2.gz QMHXFWWWFSYRRT-FUHWJXTLSA-N 2 0 345.487 2.433 10 0 EEAERP Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[NH+]1CCCCCC1 ZINC001454788363 1107651504 /nfs/dbraw/zinc/65/15/04/1107651504.db2.gz ZZRPWEHWGMQIEM-SFHVURJKSA-N 2 0 346.523 2.137 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001498823119 1108170676 /nfs/dbraw/zinc/17/06/76/1108170676.db2.gz YUDNOPUZMWLPES-DNVCBOLYSA-N 2 0 345.487 2.021 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001498861266 1108238081 /nfs/dbraw/zinc/23/80/81/1108238081.db2.gz CEAZYGALNNOPKX-VQTJNVASSA-N 2 0 343.515 2.228 10 0 EEAERP CN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)C12CCC[NH+]1CCC2 ZINC001493613642 1108404937 /nfs/dbraw/zinc/40/49/37/1108404937.db2.gz SBMLANIQLCFVEI-UHFFFAOYSA-N 2 0 333.451 2.333 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001471798614 1110531307 /nfs/dbraw/zinc/53/13/07/1110531307.db2.gz UIMWCOTVPRSWGQ-ULQDDVLXSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001479375661 1110688212 /nfs/dbraw/zinc/68/82/12/1110688212.db2.gz RYOVAWASTARQSP-ZTFGCOKTSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001479409892 1110693096 /nfs/dbraw/zinc/69/30/96/1110693096.db2.gz YADFSOHANIIPKL-QEJZJMRPSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1ccc(F)cc1 ZINC001499227883 1112188854 /nfs/dbraw/zinc/18/88/54/1112188854.db2.gz APYGSMUFUAJHFH-RDTXWAMCSA-N 2 0 345.462 2.467 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001499535013 1112349206 /nfs/dbraw/zinc/34/92/06/1112349206.db2.gz DXJGNAZDVVDNHJ-UHFFFAOYSA-N 2 0 344.459 2.216 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@](C)(CNC(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001500502689 1112894304 /nfs/dbraw/zinc/89/43/04/1112894304.db2.gz ZETITVRCSLSOOE-IBGZPJMESA-N 2 0 348.491 2.186 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001501048221 1113179652 /nfs/dbraw/zinc/17/96/52/1113179652.db2.gz ZGJYHISJQJZCSV-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C[NH2+]CCF ZINC001501129818 1113209116 /nfs/dbraw/zinc/20/91/16/1113209116.db2.gz LLABUGNVBAYJPN-DOTOQJQBSA-N 2 0 335.467 2.058 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)cc1 ZINC001501153231 1113217171 /nfs/dbraw/zinc/21/71/71/1113217171.db2.gz MJBDBXCWBGODHM-AEFFLSMTSA-N 2 0 347.503 2.220 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C)no2)C1 ZINC001501574574 1113387784 /nfs/dbraw/zinc/38/77/84/1113387784.db2.gz PJDKYUPHNPGGFK-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001502008605 1113556947 /nfs/dbraw/zinc/55/69/47/1113556947.db2.gz NDKLDWGXOMDVJI-WMZOPIPTSA-N 2 0 349.519 2.201 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccc(F)c1F)C(=O)C[NH+]1CCCC1 ZINC001502397323 1113664859 /nfs/dbraw/zinc/66/48/59/1113664859.db2.gz ZNLDMGMAOLUCED-UHFFFAOYSA-N 2 0 339.430 2.341 10 0 EEAERP CO[C@H](C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1)C1CCC1 ZINC001502811443 1113808552 /nfs/dbraw/zinc/80/85/52/1113808552.db2.gz UUIPMXQBRNRRCW-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001505465551 1114000229 /nfs/dbraw/zinc/00/02/29/1114000229.db2.gz IXSIIOIOQICKDH-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001505724983 1114153089 /nfs/dbraw/zinc/15/30/89/1114153089.db2.gz NTXPCZDMRNLOKT-CHWSQXEVSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1cnc(C[NH2+]C2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001505792202 1114194589 /nfs/dbraw/zinc/19/45/89/1114194589.db2.gz YMPREWZDCQHFLT-UHFFFAOYSA-N 2 0 336.480 2.182 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)CC1 ZINC001506896821 1114957773 /nfs/dbraw/zinc/95/77/73/1114957773.db2.gz ZCQLYTNMOPAWTO-RZDIXWSQSA-N 2 0 347.478 2.194 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001507116986 1115116695 /nfs/dbraw/zinc/11/66/95/1115116695.db2.gz WSKHMCTZCHXZDH-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001507146873 1115132787 /nfs/dbraw/zinc/13/27/87/1115132787.db2.gz DRPHBEYDAWFGEP-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC001507341372 1115204458 /nfs/dbraw/zinc/20/44/58/1115204458.db2.gz SOQQBSDSJLUVNW-SUMWQHHRSA-N 2 0 339.430 2.384 10 0 EEAERP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507730172 1115336538 /nfs/dbraw/zinc/33/65/38/1115336538.db2.gz STQFTHGXOFFGHD-ZWKOTPCHSA-N 2 0 349.519 2.147 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C)[NH+](C)C ZINC001507963547 1115381201 /nfs/dbraw/zinc/38/12/01/1115381201.db2.gz MIRAJGLJOBBLBO-KZNAEPCWSA-N 2 0 349.519 2.181 10 0 EEAERP Cc1ccc(OCC[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001508220653 1115449617 /nfs/dbraw/zinc/44/96/17/1115449617.db2.gz LPTPKVSHSRMGKX-UHFFFAOYSA-N 2 0 345.487 2.074 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568678704 1124690813 /nfs/dbraw/zinc/69/08/13/1124690813.db2.gz XGBSWSKWRIAMAJ-CVEARBPZSA-N 2 0 335.467 2.482 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568710223 1124727760 /nfs/dbraw/zinc/72/77/60/1124727760.db2.gz JWPOFYXWVNCQNE-VQIMIIECSA-N 2 0 331.504 2.228 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001568755943 1124768768 /nfs/dbraw/zinc/76/87/68/1124768768.db2.gz MALNAEAILPFRLV-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP CCc1nocc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568870318 1124897079 /nfs/dbraw/zinc/89/70/79/1124897079.db2.gz BCCDKNJPLJEESN-RPCWLKAMSA-N 2 0 346.475 2.016 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001568873236 1124898626 /nfs/dbraw/zinc/89/86/26/1124898626.db2.gz IRFRIDWIMZCNPS-KBIGUFJUSA-N 2 0 348.318 2.317 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001568873464 1124899704 /nfs/dbraw/zinc/89/97/04/1124899704.db2.gz MXZNDTZAHHAHSQ-ZMBJWTFHSA-N 2 0 329.488 2.495 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001569058590 1125071010 /nfs/dbraw/zinc/07/10/10/1125071010.db2.gz LQWBRGCOHXFISD-FRQCXROJSA-N 2 0 331.504 2.226 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001569124397 1125112855 /nfs/dbraw/zinc/11/28/55/1125112855.db2.gz HLVLYWHNXYUGFE-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CN(CCC[NH2+]CCCc1cccc(F)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001569257261 1125199480 /nfs/dbraw/zinc/19/94/80/1125199480.db2.gz ARSQESOYWAMHKD-UHFFFAOYSA-N 2 0 347.478 2.292 10 0 EEAERP CN(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccn1)c1ccccc1 ZINC001569269516 1125208772 /nfs/dbraw/zinc/20/87/72/1125208772.db2.gz AKYBDXKSCDDGTJ-LJQANCHMSA-N 2 0 340.471 2.323 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000183362606 282080056 /nfs/dbraw/zinc/08/00/56/282080056.db2.gz XXVNDPYIUVKHCG-FPQWYMTMSA-N 2 0 336.524 2.233 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416247620 529386004 /nfs/dbraw/zinc/38/60/04/529386004.db2.gz PGAMTFXNOUAFMI-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173877608 231058637 /nfs/dbraw/zinc/05/86/37/231058637.db2.gz IXRXIZIMXJUXLC-WOJBJXKFSA-N 2 0 332.488 2.372 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422840766 536850446 /nfs/dbraw/zinc/85/04/46/536850446.db2.gz UPMZTBRYPZQYCO-HOTGVXAUSA-N 2 0 325.522 2.304 10 0 EEAERP C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CC[N@H+](C)[C@@H](C)C1 ZINC000104138317 219350604 /nfs/dbraw/zinc/35/06/04/219350604.db2.gz HLVUGPXACDCJNR-YWPYICTPSA-N 2 0 326.282 2.473 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000069349812 215384046 /nfs/dbraw/zinc/38/40/46/215384046.db2.gz SYHRODAHJLSDJC-HNNXBMFYSA-N 2 0 334.460 2.030 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCCC[C@@H]1CCO)c1ccccc1 ZINC000342062979 539831262 /nfs/dbraw/zinc/83/12/62/539831262.db2.gz NNOXMNXQMRTHHY-MOPGFXCFSA-N 2 0 347.503 2.033 10 0 EEAERP CC(C)CNC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725271308 539992081 /nfs/dbraw/zinc/99/20/81/539992081.db2.gz BYCOEEAWIGIXTL-DGCLKSJQSA-N 2 0 325.482 2.090 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000340181212 283051301 /nfs/dbraw/zinc/05/13/01/283051301.db2.gz GAPQSJGPURRHRM-MSOLQXFVSA-N 2 0 330.476 2.217 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422709411 240185691 /nfs/dbraw/zinc/18/56/91/240185691.db2.gz DERNKWXDJZQYTP-INIZCTEOSA-N 2 0 331.416 2.375 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cn1 ZINC000422784014 240225023 /nfs/dbraw/zinc/22/50/23/240225023.db2.gz PCGGXVOLMVEHKM-WZGPROSRSA-N 2 0 331.508 2.289 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H]3C[NH3+])C2)c1 ZINC000422879597 240272671 /nfs/dbraw/zinc/27/26/71/240272671.db2.gz VPKAERQLBBWDLD-VCBZYWHSSA-N 2 0 333.476 2.247 10 0 EEAERP CC[NH+]1CCN(c2ccccc2N[C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422922880 240293507 /nfs/dbraw/zinc/29/35/07/240293507.db2.gz RBXYOOZZIHEZJX-IRXDYDNUSA-N 2 0 332.492 2.007 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CCO)c1ccccc1Br ZINC000423031904 240338864 /nfs/dbraw/zinc/33/88/64/240338864.db2.gz LQAFUXJTSBYCOL-DOMZBBRYSA-N 2 0 345.281 2.216 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423065584 240347771 /nfs/dbraw/zinc/34/77/71/240347771.db2.gz UWTUDJOPHRSGJL-NJYVYQBISA-N 2 0 343.515 2.254 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)c2sccc2C)CC[NH2+]CC1 ZINC000422988952 240319268 /nfs/dbraw/zinc/31/92/68/240319268.db2.gz JZVYBZGPEVJJFZ-KGLIPLIRSA-N 2 0 340.489 2.001 10 0 EEAERP [NH3+]C1(CNC(=O)Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000424024645 240796373 /nfs/dbraw/zinc/79/63/73/240796373.db2.gz XHIYMKGHAIKZOW-UHFFFAOYSA-N 2 0 337.467 2.339 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000429071080 241698713 /nfs/dbraw/zinc/69/87/13/241698713.db2.gz ORCAUKQMOJAQDK-UHFFFAOYSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000268602592 252059080 /nfs/dbraw/zinc/05/90/80/252059080.db2.gz VGOBTDAZMNADBZ-APWZRJJASA-N 2 0 344.503 2.385 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000246158445 256014754 /nfs/dbraw/zinc/01/47/54/256014754.db2.gz AAYUBEAQDJNUMV-RBUKOAKNSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000268149261 256119525 /nfs/dbraw/zinc/11/95/25/256119525.db2.gz WCIUBRCEGUPADP-ACJLOTCBSA-N 2 0 348.466 2.169 10 0 EEAERP CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119608353 292246680 /nfs/dbraw/zinc/24/66/80/292246680.db2.gz TUJUPVBRQJZVMB-IBGZPJMESA-N 2 0 332.492 2.244 10 0 EEAERP C[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262705558 152310467 /nfs/dbraw/zinc/31/04/67/152310467.db2.gz BLGYPKQIXOMAQQ-MBOZVWFJSA-N 2 0 343.515 2.444 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(C)CCCn2ccnc2C)CC1 ZINC000122197574 292271006 /nfs/dbraw/zinc/27/10/06/292271006.db2.gz XSEJTUHPBSXLQR-UHFFFAOYSA-N 2 0 335.496 2.345 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000105082963 159295372 /nfs/dbraw/zinc/29/53/72/159295372.db2.gz OIKNOQNLARDWIV-MSOLQXFVSA-N 2 0 348.466 2.308 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000119308723 159376943 /nfs/dbraw/zinc/37/69/43/159376943.db2.gz IFWRVSKHSKVGPM-ROUUACIJSA-N 2 0 336.524 2.234 10 0 EEAERP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCSC3)c2)C1 ZINC000245574346 160243499 /nfs/dbraw/zinc/24/34/99/160243499.db2.gz ZKFMEMILVCMOFX-ROUUACIJSA-N 2 0 347.528 2.369 10 0 EEAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555839 161146261 /nfs/dbraw/zinc/14/62/61/161146261.db2.gz FZXRXSYGZJHFRY-CTNGQTDRSA-N 2 0 344.547 2.124 10 0 EEAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555850 161146342 /nfs/dbraw/zinc/14/63/42/161146342.db2.gz FZXRXSYGZJHFRY-TZIWHRDSSA-N 2 0 344.547 2.124 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000345502218 161306552 /nfs/dbraw/zinc/30/65/52/161306552.db2.gz HFVQHJJKHHHVAJ-IYBDPMFKSA-N 2 0 329.554 2.441 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000375850776 167212256 /nfs/dbraw/zinc/21/22/56/167212256.db2.gz KDFVPVPUUAYDEM-FGTMMUONSA-N 2 0 333.451 2.408 10 0 EEAERP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000414861826 299005012 /nfs/dbraw/zinc/00/50/12/299005012.db2.gz WUYHGNSHSYPLNB-KKUMJFAQSA-N 2 0 346.475 2.024 10 0 EEAERP CC[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[NH+](C)C ZINC000373416043 287487220 /nfs/dbraw/zinc/48/72/20/287487220.db2.gz FSYPSUCHXYIJKA-JXQTWKCFSA-N 2 0 335.414 2.248 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000271571179 274141991 /nfs/dbraw/zinc/14/19/91/274141991.db2.gz ZCOOQQQINXYECT-UXPWSPDFSA-N 2 0 332.488 2.274 10 0 EEAERP Cc1ccncc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289868787 275156808 /nfs/dbraw/zinc/15/68/08/275156808.db2.gz RCRXWLUCBBPNLK-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC23CCSCC3)CC[NH2+]CC1 ZINC000423543766 279529033 /nfs/dbraw/zinc/52/90/33/279529033.db2.gz HQNRKVOAROBUFJ-GJZGRUSLSA-N 2 0 340.533 2.431 10 0 EEAERP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414685054 279993102 /nfs/dbraw/zinc/99/31/02/279993102.db2.gz XQPHEJVOJGXOOS-FUHWJXTLSA-N 2 0 329.488 2.403 10 0 EEAERP C[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000339067629 312251621 /nfs/dbraw/zinc/25/16/21/312251621.db2.gz BNBSWEMVLWDLSO-GGPKGHCWSA-N 2 0 331.504 2.380 10 0 EEAERP COc1ccccc1/C=C\C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971308 313117758 /nfs/dbraw/zinc/11/77/58/313117758.db2.gz IAWPQRGMRRCORB-LEXSJLIMSA-N 2 0 343.393 2.134 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800642 313319258 /nfs/dbraw/zinc/31/92/58/313319258.db2.gz FQEWYWPNODKJOY-MSOLQXFVSA-N 2 0 326.444 2.289 10 0 EEAERP [NH3+][C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000416899109 313354022 /nfs/dbraw/zinc/35/40/22/313354022.db2.gz DUVVGJDJPXDNFS-GOSISDBHSA-N 2 0 330.476 2.209 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416966967 313374835 /nfs/dbraw/zinc/37/48/35/313374835.db2.gz GGVXKNOEIQGLPC-RTBURBONSA-N 2 0 344.503 2.420 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000416975703 313379421 /nfs/dbraw/zinc/37/94/21/313379421.db2.gz ZOGYREIDPXTVNB-MAUKXSAKSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418501845 313831193 /nfs/dbraw/zinc/83/11/93/313831193.db2.gz SVDOAWWQJOACBB-BVGQSLNGSA-N 2 0 326.444 2.137 10 0 EEAERP CCOc1cc(C[NH2+]C[C@H](C)CN2CCOCC2)c(F)cc1OC ZINC000527667707 317240739 /nfs/dbraw/zinc/24/07/39/317240739.db2.gz YWFFLDNFQFGQBN-AWEZNQCLSA-N 2 0 340.439 2.291 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527859321 317276544 /nfs/dbraw/zinc/27/65/44/317276544.db2.gz PTZJIPYRUWJEIM-DLBZAZTESA-N 2 0 341.503 2.374 10 0 EEAERP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccn(C)n1 ZINC000544566007 318191310 /nfs/dbraw/zinc/19/13/10/318191310.db2.gz RBLDIYZZRZVKLA-KRWDZBQOSA-N 2 0 333.524 2.411 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCCC1 ZINC000544625887 318193393 /nfs/dbraw/zinc/19/33/93/318193393.db2.gz JFOXYJAPNWKYDL-QGZVFWFLSA-N 2 0 326.529 2.480 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000546686439 318260622 /nfs/dbraw/zinc/26/06/22/318260622.db2.gz VHZVAXOKCNSZBA-SFHVURJKSA-N 2 0 335.467 2.439 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000563585250 319025889 /nfs/dbraw/zinc/02/58/89/319025889.db2.gz DXNDGRHPYJWZJP-PKOBYXMFSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000565645873 319200759 /nfs/dbraw/zinc/20/07/59/319200759.db2.gz VGIXUNRZOARLGD-HNNXBMFYSA-N 2 0 330.476 2.382 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000576940779 320217937 /nfs/dbraw/zinc/21/79/37/320217937.db2.gz CTPXZVVIAIJSIH-LPHOPBHVSA-N 2 0 344.503 2.232 10 0 EEAERP C[C@@H](CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000580412287 324056749 /nfs/dbraw/zinc/05/67/49/324056749.db2.gz OTXAJHSIZGUXJK-VHSSKADRSA-N 2 0 348.466 2.135 10 0 EEAERP CCc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc1 ZINC000339090868 465075879 /nfs/dbraw/zinc/07/58/79/465075879.db2.gz ZMDXCIQRWZPZHG-UHFFFAOYSA-N 2 0 330.520 2.494 10 0 EEAERP CO[C@@H](C)C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828322 465176776 /nfs/dbraw/zinc/17/67/76/465176776.db2.gz BAWTUMKHOAGJNG-FUHWJXTLSA-N 2 0 335.492 2.151 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339358790 465222424 /nfs/dbraw/zinc/22/24/24/465222424.db2.gz LOEZYBIPYPJQTB-AWEZNQCLSA-N 2 0 341.293 2.474 10 0 EEAERP COc1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)n1 ZINC000337202372 465241631 /nfs/dbraw/zinc/24/16/31/465241631.db2.gz GUXSPMCFTSNIJG-UHFFFAOYSA-N 2 0 348.491 2.118 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000358671384 465255014 /nfs/dbraw/zinc/25/50/14/465255014.db2.gz UNVBHCCTDCKHOG-GOSISDBHSA-N 2 0 334.508 2.298 10 0 EEAERP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[NH+]1CCCCC1 ZINC000153436597 462650333 /nfs/dbraw/zinc/65/03/33/462650333.db2.gz DMAOKLFBASOLAY-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1nccn1CC(F)(F)F ZINC000579105215 468311388 /nfs/dbraw/zinc/31/13/88/468311388.db2.gz BCFICCJBGSMALM-CYBMUJFWSA-N 2 0 326.322 2.070 10 0 EEAERP Cc1nc(C[N@H+](C)CC2CC[NH+](CCO)CC2)nc2ccccc12 ZINC000075131277 462682645 /nfs/dbraw/zinc/68/26/45/462682645.db2.gz KDCWWKIJNZCMEJ-UHFFFAOYSA-N 2 0 328.460 2.074 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000052011670 463057820 /nfs/dbraw/zinc/05/78/20/463057820.db2.gz MHWRWSXKNHNQII-IBGZPJMESA-N 2 0 347.478 2.433 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000157718508 463161856 /nfs/dbraw/zinc/16/18/56/463161856.db2.gz NYIFUIANNIFCDE-UHFFFAOYSA-N 2 0 326.529 2.338 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000054510773 463239257 /nfs/dbraw/zinc/23/92/57/463239257.db2.gz QTLNPDIXHDIIRL-MOPGFXCFSA-N 2 0 346.519 2.190 10 0 EEAERP Cc1nc2ccccc2nc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069948366 463355892 /nfs/dbraw/zinc/35/58/92/463355892.db2.gz BEAJAGZNZQRIJX-OAHLLOKOSA-N 2 0 342.487 2.463 10 0 EEAERP CCC[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000161766536 463456228 /nfs/dbraw/zinc/45/62/28/463456228.db2.gz LTCFPBMNMOCUPQ-SFHVURJKSA-N 2 0 332.492 2.103 10 0 EEAERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276628 463505787 /nfs/dbraw/zinc/50/57/87/463505787.db2.gz IUEKWMPKAJDMOD-PKOBYXMFSA-N 2 0 349.519 2.124 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000057847382 463523893 /nfs/dbraw/zinc/52/38/93/463523893.db2.gz HNZNTPVAZOVQMK-UHFFFAOYSA-N 2 0 346.475 2.389 10 0 EEAERP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000166182487 463652380 /nfs/dbraw/zinc/65/23/80/463652380.db2.gz YQRIOYVFPQCBBF-GJZGRUSLSA-N 2 0 349.475 2.482 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073793560 463656806 /nfs/dbraw/zinc/65/68/06/463656806.db2.gz NOVOUQZLNADGNJ-MOPGFXCFSA-N 2 0 346.519 2.285 10 0 EEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000261606140 463798885 /nfs/dbraw/zinc/79/88/85/463798885.db2.gz DMRCBDXGSXUSCR-GIOYIUAESA-N 2 0 349.519 2.044 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000579572199 468378134 /nfs/dbraw/zinc/37/81/34/468378134.db2.gz LTUQBUNUSXTABW-FPAYPSAMSA-N 2 0 344.503 2.337 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1F ZINC000172160149 464004089 /nfs/dbraw/zinc/00/40/89/464004089.db2.gz UUVKLIHRTOQJBY-UHFFFAOYSA-N 2 0 348.466 2.267 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179139442 464065206 /nfs/dbraw/zinc/06/52/06/464065206.db2.gz QHXWQMOPUUNCCG-ZWKOTPCHSA-N 2 0 330.476 2.073 10 0 EEAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnnn3Cc3ccccc3)C2)CC1 ZINC000292868654 464370405 /nfs/dbraw/zinc/37/04/05/464370405.db2.gz WENPIUIVVYJAEE-IBGZPJMESA-N 2 0 339.487 2.490 10 0 EEAERP C[NH+]1CCC(C(=O)NCCN2CCc3c(Cl)cccc3C2)CC1 ZINC000189158485 464447483 /nfs/dbraw/zinc/44/74/83/464447483.db2.gz DPNLKFHFSKDWGV-UHFFFAOYSA-N 2 0 335.879 2.156 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nccn1CC(C)C ZINC000175475189 464557741 /nfs/dbraw/zinc/55/77/41/464557741.db2.gz CXNREOWINBEJJH-JKSUJKDBSA-N 2 0 333.480 2.307 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000246582881 464601829 /nfs/dbraw/zinc/60/18/29/464601829.db2.gz ZLOKMMUWHYHYEK-KSZLIROESA-N 2 0 338.540 2.480 10 0 EEAERP CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)C1(C(=O)OC)CCC1 ZINC000272594666 464672495 /nfs/dbraw/zinc/67/24/95/464672495.db2.gz WVQHKTRIJVHAIZ-HNNXBMFYSA-N 2 0 328.416 2.479 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000265874439 464718404 /nfs/dbraw/zinc/71/84/04/464718404.db2.gz NEHJMNYSZFOXAH-UHFFFAOYSA-N 2 0 332.366 2.174 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183260361 464835086 /nfs/dbraw/zinc/83/50/86/464835086.db2.gz HJVVAEUJAUAMOI-AZUAARDMSA-N 2 0 345.487 2.431 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)NCC1CC[NH+](C2CC2)CC1 ZINC000298197205 465329151 /nfs/dbraw/zinc/32/91/51/465329151.db2.gz FIFVMEWDGPDXPA-UHFFFAOYSA-N 2 0 327.432 2.008 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000351802021 465369141 /nfs/dbraw/zinc/36/91/41/465369141.db2.gz YTWNYFJSHRZWHI-OALUTQOASA-N 2 0 346.519 2.333 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000339851094 465548187 /nfs/dbraw/zinc/54/81/87/465548187.db2.gz RMMFHQUHPVDJCE-INIZCTEOSA-N 2 0 326.529 2.480 10 0 EEAERP COC(=O)c1ccc(Cl)c(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000360967546 465671109 /nfs/dbraw/zinc/67/11/09/465671109.db2.gz AKLYYAWAUNQTMU-UHFFFAOYSA-N 2 0 340.851 2.329 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)C(=O)NCC[NH+](C)C ZINC000361023319 465709524 /nfs/dbraw/zinc/70/95/24/465709524.db2.gz UWZFAZAKLDMATN-BBWFWOEESA-N 2 0 341.540 2.261 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000371815531 466014165 /nfs/dbraw/zinc/01/41/65/466014165.db2.gz UQRWCHCXBJCXJW-MRXNPFEDSA-N 2 0 330.476 2.017 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000349791242 466242696 /nfs/dbraw/zinc/24/26/96/466242696.db2.gz PCUVGQWVAVLNKX-GOSISDBHSA-N 2 0 341.503 2.047 10 0 EEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341105978 466587911 /nfs/dbraw/zinc/58/79/11/466587911.db2.gz OSUYEIOXFRMXQE-QZTJIDSGSA-N 2 0 334.508 2.297 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060435 466690322 /nfs/dbraw/zinc/69/03/22/466690322.db2.gz IGPMLEQGXVJAGS-IJXRJRJASA-N 2 0 331.504 2.383 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423281280 466709264 /nfs/dbraw/zinc/70/92/64/466709264.db2.gz UCDJAHSMYWCNEY-MBNYWOFBSA-N 2 0 342.281 2.106 10 0 EEAERP CC[NH+](CC)CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373419148 466798048 /nfs/dbraw/zinc/79/80/48/466798048.db2.gz ULQXFWWKNBSXIS-UHFFFAOYSA-N 2 0 335.414 2.250 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000375092222 466801411 /nfs/dbraw/zinc/80/14/11/466801411.db2.gz ZKXKYHWWEKKKCT-UHFFFAOYSA-N 2 0 330.476 2.091 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)CC3(C[NH3+])CC3)CC[N@@H+]2C2CC2)c1 ZINC000423811572 466849378 /nfs/dbraw/zinc/84/93/78/466849378.db2.gz CAVQQJQBVDIDAT-PKOBYXMFSA-N 2 0 343.471 2.218 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417579816 466887206 /nfs/dbraw/zinc/88/72/06/466887206.db2.gz BQAOJEVXBCQAPE-COSYGPSOSA-N 2 0 330.476 2.217 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000417942478 466996120 /nfs/dbraw/zinc/99/61/20/466996120.db2.gz OAPKDYPKGSMWLO-CMKODMSKSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417986463 467011355 /nfs/dbraw/zinc/01/13/55/467011355.db2.gz GSUNYNXHJNXITQ-ABSDTBQOSA-N 2 0 348.535 2.425 10 0 EEAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccnc(OCC[NH+](C)C)c3)C[C@H]2C1 ZINC000424291863 467023933 /nfs/dbraw/zinc/02/39/33/467023933.db2.gz VLTRPZPKNQLDJD-KNCDZKKRSA-N 2 0 333.476 2.315 10 0 EEAERP C[C@]1(CNC(=O)NCC[C@H]2CC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044863 467033493 /nfs/dbraw/zinc/03/34/93/467033493.db2.gz NMSYXZXUPNEOKG-YLJYHZDGSA-N 2 0 344.503 2.340 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418431497 467110338 /nfs/dbraw/zinc/11/03/38/467110338.db2.gz QXFHXKYFBQUTGY-QGZVFWFLSA-N 2 0 330.432 2.053 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000418449852 467112977 /nfs/dbraw/zinc/11/29/77/467112977.db2.gz KXNBPOTXTHEUCE-ROUUACIJSA-N 2 0 326.444 2.466 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418501852 467121046 /nfs/dbraw/zinc/12/10/46/467121046.db2.gz SVDOAWWQJOACBB-XWIAVFTESA-N 2 0 326.444 2.137 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428762313 467266407 /nfs/dbraw/zinc/26/64/07/467266407.db2.gz YLOGQRLYEUHUPN-IYBDPMFKSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[NH+]1CCCC1 ZINC000414058827 467370995 /nfs/dbraw/zinc/37/09/95/467370995.db2.gz HWXLAJLNJBAMHQ-ZDUSSCGKSA-N 2 0 342.281 2.075 10 0 EEAERP CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000381691919 467374906 /nfs/dbraw/zinc/37/49/06/467374906.db2.gz SJYGLXUMXIKRJQ-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP FC1(F)Oc2cccc(C[NH2+]CCCC[NH+]3CCOCC3)c2O1 ZINC000414283831 467397556 /nfs/dbraw/zinc/39/75/56/467397556.db2.gz JTNDZIUTUPCTLZ-UHFFFAOYSA-N 2 0 328.359 2.210 10 0 EEAERP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCSC3)cc2)CC1 ZINC000414324567 467402467 /nfs/dbraw/zinc/40/24/67/467402467.db2.gz KPWGKHQNBIAJJN-SFHVURJKSA-N 2 0 347.528 2.369 10 0 EEAERP C[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453429994 467489170 /nfs/dbraw/zinc/48/91/70/467489170.db2.gz QTOBRFKXXZPJLD-AJYBTWMASA-N 2 0 327.472 2.440 10 0 EEAERP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514938364 467964338 /nfs/dbraw/zinc/96/43/38/467964338.db2.gz GNXGQJHNQQYCIN-QINHECLXSA-N 2 0 327.472 2.428 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]([NH3+])C3CCC3)CC[N@@H+]2C2CC2)c1 ZINC000515233031 467981389 /nfs/dbraw/zinc/98/13/89/467981389.db2.gz AVXHLLLPSYUGJE-GUDVDZBRSA-N 2 0 343.471 2.217 10 0 EEAERP O[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399460 468159339 /nfs/dbraw/zinc/15/93/39/468159339.db2.gz QBEWBXLWZCCSJD-WOJBJXKFSA-N 3 0 343.515 2.230 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000569575494 468512155 /nfs/dbraw/zinc/51/21/55/468512155.db2.gz BJODVTQKAWWVSA-NJAFHUGGSA-N 2 0 330.476 2.121 10 0 EEAERP CCC1(CNC(=O)N[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000569827135 468550973 /nfs/dbraw/zinc/55/09/73/468550973.db2.gz CMVCXYLYQMFOKJ-SFHVURJKSA-N 2 0 344.503 2.340 10 0 EEAERP COC(=O)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000600755781 468649623 /nfs/dbraw/zinc/64/96/23/468649623.db2.gz OYMMHMKCASBOKL-CQSZACIVSA-N 2 0 338.473 2.125 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CO[C@H]1CCCc2ccccc21 ZINC000570625461 468666543 /nfs/dbraw/zinc/66/65/43/468666543.db2.gz FIKJWJYMTCBOTA-IBGZPJMESA-N 2 0 347.503 2.032 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)CC[N@@H+]1C ZINC000592393362 468688137 /nfs/dbraw/zinc/68/81/37/468688137.db2.gz GSAIWLNWCUAOBT-HUUCEWRRSA-N 2 0 326.481 2.197 10 0 EEAERP [NH3+]C1CCC(OCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000583561894 468716406 /nfs/dbraw/zinc/71/64/06/468716406.db2.gz SKDVCIBVSKZFTD-JLAWEPINSA-N 2 0 345.487 2.054 10 0 EEAERP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H](OC(F)F)C3)c2cc1C ZINC000570945327 468718659 /nfs/dbraw/zinc/71/86/59/468718659.db2.gz DIZBUOXINAQZNK-KGLIPLIRSA-N 2 0 339.386 2.328 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000592965721 468829321 /nfs/dbraw/zinc/82/93/21/468829321.db2.gz CTZBVBVVEXQOAN-KRWDZBQOSA-N 2 0 335.517 2.146 10 0 EEAERP C[C@@H](c1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1)N1CCOCC1 ZINC000562749177 469061820 /nfs/dbraw/zinc/06/18/20/469061820.db2.gz JHWJMSNVMVJOKX-VKJFTORMSA-N 2 0 346.475 2.199 10 0 EEAERP CC[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000618555432 469387595 /nfs/dbraw/zinc/38/75/95/469387595.db2.gz XRLGZWMINHZYFO-MOPGFXCFSA-N 2 0 344.503 2.217 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629384991 469527397 /nfs/dbraw/zinc/52/73/97/469527397.db2.gz KXKPJUFMPIBVBL-IBGZPJMESA-N 2 0 340.471 2.296 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000629530641 469572558 /nfs/dbraw/zinc/57/25/58/469572558.db2.gz MICKFLXGCJXZRJ-CYBMUJFWSA-N 2 0 327.266 2.132 10 0 EEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629550643 469575686 /nfs/dbraw/zinc/57/56/86/469575686.db2.gz ORJIOXWPSBKAGW-HOJAQTOUSA-N 2 0 346.519 2.183 10 0 EEAERP CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617555211 469726820 /nfs/dbraw/zinc/72/68/20/469726820.db2.gz RGCAASSCAYONAW-KRWDZBQOSA-N 2 0 330.476 2.159 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000626931759 469759722 /nfs/dbraw/zinc/75/97/22/469759722.db2.gz MUFQMEPFVRCVLO-ZWKOTPCHSA-N 2 0 332.492 2.467 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000626979007 469775797 /nfs/dbraw/zinc/77/57/97/469775797.db2.gz NTPWBIBZFPQWPM-FGTMMUONSA-N 2 0 330.476 2.091 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)CC1 ZINC000627004311 469785774 /nfs/dbraw/zinc/78/57/74/469785774.db2.gz JANFSFVSECDUQO-PBHCIXSXSA-N 2 0 336.524 2.469 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000627016873 469791200 /nfs/dbraw/zinc/79/12/00/469791200.db2.gz RAFUUNGUCPEYRW-ATZDWAIDSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000627017084 469791531 /nfs/dbraw/zinc/79/15/31/469791531.db2.gz ZOYNBEGNMDKEJK-KVSKMBFKSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000627033891 469797319 /nfs/dbraw/zinc/79/73/19/469797319.db2.gz XLVIVXYHIOCMAH-MFHCWRBVSA-N 2 0 344.503 2.319 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000627159915 469828923 /nfs/dbraw/zinc/82/89/23/469828923.db2.gz BWQKWKFAZYHUNA-XHSDSOJGSA-N 2 0 338.883 2.382 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000617911927 469836227 /nfs/dbraw/zinc/83/62/27/469836227.db2.gz SFNTUKJZERQXTG-SFHVURJKSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197253 469840768 /nfs/dbraw/zinc/84/07/68/469840768.db2.gz YHRXREGNBDEMEM-WMLDXEAASA-N 2 0 336.455 2.039 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)C1 ZINC000614383886 469927083 /nfs/dbraw/zinc/92/70/83/469927083.db2.gz FADPYHIAWMKQDI-ZDUSSCGKSA-N 2 0 339.867 2.044 10 0 EEAERP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(C)n1 ZINC000627753969 469993199 /nfs/dbraw/zinc/99/31/99/469993199.db2.gz IJTDXVJCOWONCV-INIZCTEOSA-N 2 0 344.459 2.160 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621550033 470066584 /nfs/dbraw/zinc/06/65/84/470066584.db2.gz BRJZGHZLQNVKNG-HUUCEWRRSA-N 2 0 346.466 2.089 10 0 EEAERP COCCN1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196827 470090701 /nfs/dbraw/zinc/09/07/01/470090701.db2.gz VOIPLQDOEVBHTH-SXLOBPIMSA-N 2 0 331.504 2.065 10 0 EEAERP Cc1cc(NC(=O)N2CCCCC[C@H]([NH3+])C2)n(C2CC[NH+](C)CC2)n1 ZINC000632920400 470287266 /nfs/dbraw/zinc/28/72/66/470287266.db2.gz ZDGXLTRPDTYEDS-HNNXBMFYSA-N 2 0 348.495 2.193 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000634770056 470304213 /nfs/dbraw/zinc/30/42/13/470304213.db2.gz YRYPEIFFXXFVFF-BOLBYERCSA-N 2 0 327.472 2.155 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649281416 470525719 /nfs/dbraw/zinc/52/57/19/470525719.db2.gz GTBNXJUYAGLYKR-MRXNPFEDSA-N 2 0 337.414 2.143 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000646279199 470590057 /nfs/dbraw/zinc/59/00/57/470590057.db2.gz YGUIDOJEWSOKAU-UHFFFAOYSA-N 2 0 349.475 2.242 10 0 EEAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccnn2-c2ccccn2)C[C@H](C)O1 ZINC000647184939 470851615 /nfs/dbraw/zinc/85/16/15/470851615.db2.gz JCWOLBFJJKGWDK-CALCHBBNSA-N 2 0 343.475 2.246 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647471813 470909936 /nfs/dbraw/zinc/90/99/36/470909936.db2.gz NOKNPFSRJIZLAD-KRWDZBQOSA-N 2 0 346.475 2.423 10 0 EEAERP Cn1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2cccnc2)n1 ZINC000647480173 470911836 /nfs/dbraw/zinc/91/18/36/470911836.db2.gz DRCYZAIWXIVHHY-SJLPKXTDSA-N 2 0 325.460 2.446 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000650715342 470948659 /nfs/dbraw/zinc/94/86/59/470948659.db2.gz YSROKJRXYKLGFR-FUHWJXTLSA-N 2 0 347.478 2.420 10 0 EEAERP [NH3+][C@H]1CC=C(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000638113131 470969930 /nfs/dbraw/zinc/96/99/30/470969930.db2.gz ODYHAQNZXUKADU-QBUWPKIASA-N 2 0 325.456 2.346 10 0 EEAERP COC[C@@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638131289 470979152 /nfs/dbraw/zinc/97/91/52/470979152.db2.gz LFFGJTUPJMOXJI-FXAWDEMLSA-N 2 0 347.503 2.172 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657347571 471106660 /nfs/dbraw/zinc/10/66/60/471106660.db2.gz BUQBUJDGHGBFJO-UHFFFAOYSA-N 2 0 333.524 2.051 10 0 EEAERP CCc1nccn1[C@H](C)CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648199180 471120865 /nfs/dbraw/zinc/12/08/65/471120865.db2.gz BFIQKZUAUDYZAE-RHSMWYFYSA-N 2 0 326.444 2.481 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657389693 471121612 /nfs/dbraw/zinc/12/16/12/471121612.db2.gz NNNPLRPGRXOMLP-UHFFFAOYSA-N 2 0 340.471 2.076 10 0 EEAERP Fc1cccn2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)nc12 ZINC000657535158 471162932 /nfs/dbraw/zinc/16/29/32/471162932.db2.gz GWMJVTPMVCQFEA-UHFFFAOYSA-N 2 0 346.450 2.454 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000657573684 471172028 /nfs/dbraw/zinc/17/20/28/471172028.db2.gz OMDRFORDJLFRGZ-SVFBPWRDSA-N 2 0 346.563 2.369 10 0 EEAERP COc1cc2c(c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1)O[C@H](C)C2 ZINC000657573308 471172460 /nfs/dbraw/zinc/17/24/60/471172460.db2.gz IPAXNWJHHUFWMK-JKSUJKDBSA-N 2 0 349.519 2.380 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000657574350 471173311 /nfs/dbraw/zinc/17/33/11/471173311.db2.gz WTDMNRQBXCUUAO-KRWDZBQOSA-N 2 0 329.492 2.234 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657900362 471246370 /nfs/dbraw/zinc/24/63/70/471246370.db2.gz HKZXPGMZVLBZKG-UHFFFAOYSA-N 2 0 345.478 2.291 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000652174449 471250143 /nfs/dbraw/zinc/25/01/43/471250143.db2.gz UOLWCDSTRWKOKK-DMUMMCEESA-N 2 0 342.487 2.202 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000652221138 471257587 /nfs/dbraw/zinc/25/75/87/471257587.db2.gz RUWRXYAJGSPEQL-QUSNUVHPSA-N 2 0 332.492 2.415 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000652288053 471267143 /nfs/dbraw/zinc/26/71/43/471267143.db2.gz RSJHVSGQUHHWSL-IBGZPJMESA-N 2 0 344.503 2.279 10 0 EEAERP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138784 471270476 /nfs/dbraw/zinc/27/04/76/471270476.db2.gz OBOPUGXHKZLSKV-PMACEKPBSA-N 2 0 342.487 2.264 10 0 EEAERP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138734 471270504 /nfs/dbraw/zinc/27/05/04/471270504.db2.gz OONFIRVFGJYZBV-KBXCAEBGSA-N 2 0 326.444 2.202 10 0 EEAERP CCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000663559588 471426932 /nfs/dbraw/zinc/42/69/32/471426932.db2.gz FPTXHGLWQNAJMY-IRXDYDNUSA-N 2 0 326.529 2.479 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659029382 471473429 /nfs/dbraw/zinc/47/34/29/471473429.db2.gz BPKHNBVACJVPQL-KSZLIROESA-N 2 0 344.459 2.096 10 0 EEAERP [NH3+]C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000669474419 471510202 /nfs/dbraw/zinc/51/02/02/471510202.db2.gz BKRHCVUCDQPQFE-MVCQKVDPSA-N 2 0 342.487 2.172 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663909599 471573197 /nfs/dbraw/zinc/57/31/97/471573197.db2.gz OLZJIKULDDZQTB-DLBZAZTESA-N 2 0 348.491 2.461 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@@]1(C)C[NH3+] ZINC000667083122 471647810 /nfs/dbraw/zinc/64/78/10/471647810.db2.gz LXLYJVJKUJKULJ-DNVCBOLYSA-N 2 0 348.491 2.466 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659560674 471678060 /nfs/dbraw/zinc/67/80/60/471678060.db2.gz ZWENJOFOUAVMQI-UHFFFAOYSA-N 2 0 344.503 2.327 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000661406203 471747080 /nfs/dbraw/zinc/74/70/80/471747080.db2.gz IXRQVMOTQLBMQE-IRXDYDNUSA-N 2 0 336.524 2.280 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@H]1C ZINC000656698169 471810798 /nfs/dbraw/zinc/81/07/98/471810798.db2.gz JWOSCCFMFVVZLH-UYAOXDASSA-N 2 0 333.520 2.284 10 0 EEAERP O[C@@]1(C2CC2)CCC[N@H+](C/C=C\C[NH+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631415 471835408 /nfs/dbraw/zinc/83/54/08/471835408.db2.gz KPECFVWCEXYUHI-DZNLNZEASA-N 2 0 334.504 2.016 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000665259425 471983230 /nfs/dbraw/zinc/98/32/30/471983230.db2.gz FTZSUTKIFNJQRU-DNMXQMFDSA-N 2 0 335.467 2.352 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000662307549 472065077 /nfs/dbraw/zinc/06/50/77/472065077.db2.gz XDNMVGDYQUEAQH-SFHVURJKSA-N 2 0 339.911 2.472 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662683611 472205955 /nfs/dbraw/zinc/20/59/55/472205955.db2.gz QQMXQUQHMJCCGX-ZIAGYGMSSA-N 2 0 336.480 2.356 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000673771710 485526876 /nfs/dbraw/zinc/52/68/76/485526876.db2.gz LWMIMILLVWZPEB-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673810123 485541116 /nfs/dbraw/zinc/54/11/16/485541116.db2.gz JVDAETIZWHGAFE-CQSZACIVSA-N 2 0 328.420 2.073 10 0 EEAERP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000658141649 485570497 /nfs/dbraw/zinc/57/04/97/485570497.db2.gz STGCPJXOYHJPOK-KXBFYZLASA-N 2 0 328.460 2.320 10 0 EEAERP CO[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684373875 485863255 /nfs/dbraw/zinc/86/32/55/485863255.db2.gz DDFAOXXVQLIAGS-PKOBYXMFSA-N 2 0 332.492 2.141 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000681182834 486163808 /nfs/dbraw/zinc/16/38/08/486163808.db2.gz OTOINQIJYIPMHA-KRWDZBQOSA-N 2 0 345.491 2.044 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000681514770 486260445 /nfs/dbraw/zinc/26/04/45/486260445.db2.gz SKWLHNPHTPERSD-GOSISDBHSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000678363362 486623487 /nfs/dbraw/zinc/62/34/87/486623487.db2.gz XRNPXPPDBQXWBL-MJGOQNOKSA-N 2 0 334.460 2.055 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)ccc1F ZINC000246238479 535989170 /nfs/dbraw/zinc/98/91/70/535989170.db2.gz IMSCMPZZOUICHF-QGTPRVQTSA-N 2 0 333.451 2.424 10 0 EEAERP CCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165947520 682454036 /nfs/dbraw/zinc/45/40/36/682454036.db2.gz LSNKBLOJLABGMA-WDYCEAGBSA-N 2 0 333.451 2.372 10 0 EEAERP COCC[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)CC1CC[NH+](C)CC1 ZINC000895417319 684593647 /nfs/dbraw/zinc/59/36/47/684593647.db2.gz XNPDEEMMMSKHFM-UHFFFAOYSA-N 2 0 332.448 2.059 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCCCn2ccnc2)[C@@H]1c1ccccc1 ZINC000895827963 684733349 /nfs/dbraw/zinc/73/33/49/684733349.db2.gz QIUZTTBNJQEIEO-ROUUACIJSA-N 2 0 326.444 2.473 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924668137 693117066 /nfs/dbraw/zinc/11/70/66/693117066.db2.gz OVTMSFIBKPVQJG-HBFSDRIKSA-N 2 0 330.520 2.408 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1cnccn1 ZINC001485784992 1191951433 /nfs/dbraw/zinc/95/14/33/1191951433.db2.gz KEWREMOJKDATOI-HZPDHXFCSA-N 2 0 347.507 2.142 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(Cl)n1)C1CC1)[NH+](C)C ZINC001266439896 1176537287 /nfs/dbraw/zinc/53/72/87/1176537287.db2.gz ZEUSEIISFCVSQP-CABCVRRESA-N 2 0 338.883 2.060 10 0 EEAERP c1cc2c(cc1-c1nc([C@H]3C[NH+]4CCC3CC4)no1)OCC[NH2+]C2 ZINC001772523619 1176743001 /nfs/dbraw/zinc/74/30/01/1176743001.db2.gz SDURRPDIINYKQA-HNNXBMFYSA-N 2 0 326.400 2.028 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001266703377 1177229630 /nfs/dbraw/zinc/22/96/30/1177229630.db2.gz HGDHBOFUTYEIMA-VQIMIIECSA-N 2 0 347.503 2.362 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC001266883636 1177697905 /nfs/dbraw/zinc/69/79/05/1177697905.db2.gz DAWNCRSOLAWRHI-INIZCTEOSA-N 2 0 335.517 2.357 10 0 EEAERP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001266904474 1177770323 /nfs/dbraw/zinc/77/03/23/1177770323.db2.gz JPQIIMBXCJUMNL-IECFSIQFSA-N 2 0 337.483 2.190 10 0 EEAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001691310350 1177884140 /nfs/dbraw/zinc/88/41/40/1177884140.db2.gz ZULCXDQHUFCYLH-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)s1 ZINC001691360248 1177969662 /nfs/dbraw/zinc/96/96/62/1177969662.db2.gz SKAKKDCRJJWXAQ-HOCLYGCPSA-N 2 0 336.505 2.016 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)cc1N ZINC000391000912 1178048476 /nfs/dbraw/zinc/04/84/76/1178048476.db2.gz QPFBFCCIIXYATA-UHFFFAOYSA-N 2 0 340.899 2.268 10 0 EEAERP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267112857 1178270512 /nfs/dbraw/zinc/27/05/12/1178270512.db2.gz ADKCRBQDSWXVPK-QZTJIDSGSA-N 2 0 341.540 2.168 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001267303152 1178719494 /nfs/dbraw/zinc/71/94/94/1178719494.db2.gz KVCFUDUHHPWWTK-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC001691935900 1178723749 /nfs/dbraw/zinc/72/37/49/1178723749.db2.gz LPBRAEAQODQWEL-UKRRQHHQSA-N 2 0 349.441 2.497 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001267373782 1178889703 /nfs/dbraw/zinc/88/97/03/1178889703.db2.gz MOTOUWQYTPMHLE-FQEVSTJZSA-N 2 0 343.515 2.181 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)c2ccccc2CC[NH+](C)C)O1 ZINC001267409612 1178971287 /nfs/dbraw/zinc/97/12/87/1178971287.db2.gz UFEJHYHRWJFSTQ-AEFFLSMTSA-N 2 0 347.503 2.020 10 0 EEAERP Cc1nc(CNCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)co1 ZINC001267473657 1179105907 /nfs/dbraw/zinc/10/59/07/1179105907.db2.gz HXJIAJRXZHCGBJ-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF)[NH+](C)C ZINC001267535473 1179296797 /nfs/dbraw/zinc/29/67/97/1179296797.db2.gz YUOBVJRGMUGMTR-IXDOHACOSA-N 2 0 327.488 2.388 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001481230028 1180363801 /nfs/dbraw/zinc/36/38/01/1180363801.db2.gz CXGBEDKSJYTTTL-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)c1C ZINC001481239642 1180402908 /nfs/dbraw/zinc/40/29/08/1180402908.db2.gz VLSDDEOREYAKHF-UHFFFAOYSA-N 2 0 333.476 2.036 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC[C@@H](C)F)CCCC2)CC[N@@H+]1C ZINC001267837154 1180609497 /nfs/dbraw/zinc/60/94/97/1180609497.db2.gz HBDBYYXMRSFJDM-OWCLPIDISA-N 2 0 327.488 2.483 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)C1CC[NH+](C)CC1 ZINC001481276449 1180652668 /nfs/dbraw/zinc/65/26/68/1180652668.db2.gz AVWHJJFQTRCMES-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP O=C(N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001267898284 1180717495 /nfs/dbraw/zinc/71/74/95/1180717495.db2.gz UTLOQVQURLWUCM-MCFICARUSA-N 2 0 325.884 2.053 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H](C)O)CC1 ZINC001267931890 1180782573 /nfs/dbraw/zinc/78/25/73/1180782573.db2.gz HZSYTAJHPIDYDH-XLAORIBOSA-N 2 0 339.524 2.039 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481302372 1180962971 /nfs/dbraw/zinc/96/29/71/1180962971.db2.gz LOOCXJULLWOWBY-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@H]1CCCCO1 ZINC001481358492 1181118389 /nfs/dbraw/zinc/11/83/89/1181118389.db2.gz UCLKDLOUMGUFSX-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001481379794 1181163555 /nfs/dbraw/zinc/16/35/55/1181163555.db2.gz KKBGPCNBOWVLKW-KSZLIROESA-N 2 0 337.483 2.143 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001268046602 1181535853 /nfs/dbraw/zinc/53/58/53/1181535853.db2.gz RCIBJQJUSXKJMF-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP CCOCCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001268160878 1181872677 /nfs/dbraw/zinc/87/26/77/1181872677.db2.gz BSVQINQIAARMBO-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001268163880 1181882495 /nfs/dbraw/zinc/88/24/95/1181882495.db2.gz CQEVNOBLELLHEG-MRXNPFEDSA-N 2 0 343.462 2.488 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccn2)C1 ZINC001268164650 1181890093 /nfs/dbraw/zinc/89/00/93/1181890093.db2.gz YEDDABWHWLFZJM-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001268180028 1181961977 /nfs/dbraw/zinc/96/19/77/1181961977.db2.gz UCKSJPNQJQEFBJ-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001268255724 1182087813 /nfs/dbraw/zinc/08/78/13/1182087813.db2.gz LGRXUEWMIQVTAR-GFCCVEGCSA-N 2 0 347.290 2.235 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)ccc1C ZINC001268351504 1182311903 /nfs/dbraw/zinc/31/19/03/1182311903.db2.gz VHFBUEOLSUNGBD-DOTOQJQBSA-N 2 0 333.476 2.082 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cs1 ZINC001268413441 1182562763 /nfs/dbraw/zinc/56/27/63/1182562763.db2.gz FSCUHQCZTFDIBG-ZIAGYGMSSA-N 2 0 338.521 2.032 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268417046 1182578715 /nfs/dbraw/zinc/57/87/15/1182578715.db2.gz YGVHTCMRUNWBLL-OAHLLOKOSA-N 2 0 333.451 2.236 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268461466 1182759165 /nfs/dbraw/zinc/75/91/65/1182759165.db2.gz HNLAWUSEQXHWTN-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@](C[NH2+]CCCF)(NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001481936202 1182988998 /nfs/dbraw/zinc/98/89/98/1182988998.db2.gz NJAHPRAPTGXWHA-GOSISDBHSA-N 2 0 345.422 2.115 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001481985684 1183088809 /nfs/dbraw/zinc/08/88/09/1183088809.db2.gz UHBYDYUYVAZHGD-BBWFWOEESA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001482102266 1183336311 /nfs/dbraw/zinc/33/63/11/1183336311.db2.gz JHQZJKLAHSPFLS-RPVQJOFSSA-N 2 0 348.491 2.124 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001482107021 1183341889 /nfs/dbraw/zinc/34/18/89/1183341889.db2.gz FKBRPAHJOSWFTG-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001268688220 1183612199 /nfs/dbraw/zinc/61/21/99/1183612199.db2.gz AUHUPISBYDYBFO-QFBILLFUSA-N 2 0 347.503 2.205 10 0 EEAERP CN(CCC[NH2+]Cc1ccncc1Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001268797875 1183713259 /nfs/dbraw/zinc/71/32/59/1183713259.db2.gz ZTTOJADNNKWEMJ-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2C[NH+](CCCCc3ccccc3)C2)CC1 ZINC001268873977 1183779594 /nfs/dbraw/zinc/77/95/94/1183779594.db2.gz DHRWOLFYJSQKHH-UHFFFAOYSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001268993036 1183882869 /nfs/dbraw/zinc/88/28/69/1183882869.db2.gz LYXRXXZVGWSQIP-ULQDDVLXSA-N 2 0 325.472 2.286 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CC1 ZINC001269544825 1184368712 /nfs/dbraw/zinc/36/87/12/1184368712.db2.gz UIAAVTZYVXBMBD-GOSISDBHSA-N 2 0 345.487 2.178 10 0 EEAERP CC(C)OCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001269549679 1184373458 /nfs/dbraw/zinc/37/34/58/1184373458.db2.gz YUYRMFJTALCZAE-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@H](C(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1)[NH+](C)C ZINC001482242721 1184617333 /nfs/dbraw/zinc/61/73/33/1184617333.db2.gz IXSUZLZQUBRFAQ-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@H](CC[NH2+]Cc3ccon3)C2)CC1 ZINC001269784526 1184618400 /nfs/dbraw/zinc/61/84/00/1184618400.db2.gz HLXKUJLOMSYTLD-QGZVFWFLSA-N 2 0 348.491 2.125 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CC[NH2+]C/C=C/Cl)C2)C1 ZINC001269785462 1184622761 /nfs/dbraw/zinc/62/27/61/1184622761.db2.gz NMMWQWDRNQAEQD-HVXFVWOWSA-N 2 0 327.900 2.299 10 0 EEAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001269990829 1184771684 /nfs/dbraw/zinc/77/16/84/1184771684.db2.gz CUVBCBJEUBGXOG-JFIYKMOQSA-N 2 0 337.508 2.057 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1)C12CC[NH+](CC1)C2 ZINC001270293483 1184993993 /nfs/dbraw/zinc/99/39/93/1184993993.db2.gz RQSMWZXOZMHWKX-RRGNZLCHSA-N 2 0 339.483 2.376 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283232 1185050491 /nfs/dbraw/zinc/05/04/91/1185050491.db2.gz LBMYWQAJPVCSNN-IIDMSEBBSA-N 2 0 342.487 2.445 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)s1 ZINC001482337480 1185433834 /nfs/dbraw/zinc/43/38/34/1185433834.db2.gz AGMKMPHVLOJPFI-CYBMUJFWSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001482354410 1185491423 /nfs/dbraw/zinc/49/14/23/1185491423.db2.gz QNZCYHMXYREOGJ-LSDHHAIUSA-N 2 0 333.451 2.419 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482358431 1185506281 /nfs/dbraw/zinc/50/62/81/1185506281.db2.gz NBYRHICYUGDDMM-CYBMUJFWSA-N 2 0 339.443 2.379 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1nc2ccccc2o1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364035 1185517322 /nfs/dbraw/zinc/51/73/22/1185517322.db2.gz AJOPYBZULRRCPF-HUUCEWRRSA-N 2 0 344.459 2.421 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364262 1185518664 /nfs/dbraw/zinc/51/86/64/1185518664.db2.gz GBYZBZKXINPIJP-ZBFHGGJFSA-N 2 0 337.895 2.271 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365776 1185522727 /nfs/dbraw/zinc/52/27/27/1185522727.db2.gz YAMQLGNDOWJQAJ-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1nccs1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482397166 1185605676 /nfs/dbraw/zinc/60/56/76/1185605676.db2.gz UXGTWKHUTVKYJW-GJZGRUSLSA-N 2 0 338.521 2.105 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001270959115 1185774122 /nfs/dbraw/zinc/77/41/22/1185774122.db2.gz SHDAQRRPVABHPZ-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001482459437 1185918998 /nfs/dbraw/zinc/91/89/98/1185918998.db2.gz YZSORTDCVPWWHY-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1)C1CCC1 ZINC001271544195 1186303366 /nfs/dbraw/zinc/30/33/66/1186303366.db2.gz OEZQSCNBCHAFLX-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCCCF)CC1)C12CC[NH+](CC1)C2 ZINC001272778945 1193494052 /nfs/dbraw/zinc/49/40/52/1193494052.db2.gz XDSNLSIWZHYNPH-QAQDUYKDSA-N 2 0 339.499 2.487 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001482832788 1187752516 /nfs/dbraw/zinc/75/25/16/1187752516.db2.gz XHWQSFVTUYXBOA-VQIMIIECSA-N 2 0 347.503 2.036 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)nc1 ZINC001482878557 1187797905 /nfs/dbraw/zinc/79/79/05/1187797905.db2.gz YZQFIDDZCWNSKM-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ccc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001482888292 1187814840 /nfs/dbraw/zinc/81/48/40/1187814840.db2.gz INDRXDCUMKUAFY-QGZVFWFLSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889093 1187815909 /nfs/dbraw/zinc/81/59/09/1187815909.db2.gz BGNKPYIZHVAPHF-AWEZNQCLSA-N 2 0 335.879 2.420 10 0 EEAERP CCN(CC[NH2+]Cc1nsc2ccccc12)C(=O)CC[NH+](C)C ZINC001482948397 1187888348 /nfs/dbraw/zinc/88/83/48/1187888348.db2.gz VLJAQMIURWAQKP-UHFFFAOYSA-N 2 0 334.489 2.186 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483021424 1188010139 /nfs/dbraw/zinc/01/01/39/1188010139.db2.gz DOENLPXHGWGATF-QWNKOJSDSA-N 2 0 345.487 2.250 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001483026916 1188032942 /nfs/dbraw/zinc/03/29/42/1188032942.db2.gz SRNQLIFJQOKMHA-SHCNBLLESA-N 2 0 333.451 2.380 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001483082124 1188445234 /nfs/dbraw/zinc/44/52/34/1188445234.db2.gz KWCFMHWEDGKHAX-SHCNBLLESA-N 2 0 329.488 2.407 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483097907 1188473644 /nfs/dbraw/zinc/47/36/44/1188473644.db2.gz NKNXCWFMFCNSMZ-SRLDXXQCSA-N 2 0 348.491 2.180 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160534 1188981705 /nfs/dbraw/zinc/98/17/05/1188981705.db2.gz ACEHBEYPHGWXFT-IKGGRYGDSA-N 2 0 347.503 2.328 10 0 EEAERP CCc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001485855643 1193617627 /nfs/dbraw/zinc/61/76/27/1193617627.db2.gz MFHSDMYPCYECJX-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1F)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001409347875 1189558661 /nfs/dbraw/zinc/55/86/61/1189558661.db2.gz FAEDSJMZTWAWOC-CABCVRRESA-N 2 0 335.467 2.335 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001409351780 1189562135 /nfs/dbraw/zinc/56/21/35/1189562135.db2.gz DGEWUTLNULORAB-KGLIPLIRSA-N 2 0 336.505 2.063 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001409628097 1190125680 /nfs/dbraw/zinc/12/56/80/1190125680.db2.gz DIWRKPLEOGEMRV-IRXDYDNUSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001409649120 1190147622 /nfs/dbraw/zinc/14/76/22/1190147622.db2.gz RQNPOKRXOZSEHD-AWEZNQCLSA-N 2 0 335.879 2.372 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C(C)C)o1 ZINC001409771542 1190266198 /nfs/dbraw/zinc/26/61/98/1190266198.db2.gz MVEPMCUNKAJHKA-IAGOWNOFSA-N 2 0 336.480 2.040 10 0 EEAERP COCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001486086822 1193677552 /nfs/dbraw/zinc/67/75/52/1193677552.db2.gz ZSMYYGDUNZQYSC-VQIMIIECSA-N 2 0 347.503 2.254 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1cncc(F)c1 ZINC001483421484 1190468490 /nfs/dbraw/zinc/46/84/90/1190468490.db2.gz QLJAGGSIIJZTRU-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486090544 1193678661 /nfs/dbraw/zinc/67/86/61/1193678661.db2.gz BGIPXXKFVKAQRL-WMLDXEAASA-N 2 0 336.480 2.102 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001483443785 1190482401 /nfs/dbraw/zinc/48/24/01/1190482401.db2.gz QLOOHKPHWPDAAC-MSOLQXFVSA-N 2 0 339.524 2.019 10 0 EEAERP COCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1 ZINC001486095086 1193679689 /nfs/dbraw/zinc/67/96/89/1193679689.db2.gz GFRRNGSCXYTIIF-QFBILLFUSA-N 2 0 347.503 2.252 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001483489931 1190509415 /nfs/dbraw/zinc/50/94/15/1190509415.db2.gz RQRRVVVLVYWYNJ-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ns1 ZINC001483512052 1190525376 /nfs/dbraw/zinc/52/53/76/1190525376.db2.gz NOAIAIUTSSIZLV-MRXNPFEDSA-N 2 0 338.521 2.264 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001409793558 1190625391 /nfs/dbraw/zinc/62/53/91/1190625391.db2.gz DOCOIHCCKLCROK-UHFFFAOYSA-N 2 0 332.492 2.332 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCOC1CCC1)C12CCC[NH+]1CCC2 ZINC001272280914 1190738260 /nfs/dbraw/zinc/73/82/60/1190738260.db2.gz NSRASQGAFFCTTI-AEFFLSMTSA-N 2 0 349.519 2.058 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001272343798 1190777466 /nfs/dbraw/zinc/77/74/66/1190777466.db2.gz OSDFQWYJORXENU-QWHCGFSZSA-N 2 0 334.291 2.276 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC[C@H](C)F)C2 ZINC001483832982 1191070476 /nfs/dbraw/zinc/07/04/76/1191070476.db2.gz RQBBFGDKHJGLMX-FUHWJXTLSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)sn1 ZINC001483918356 1191116123 /nfs/dbraw/zinc/11/61/23/1191116123.db2.gz XXAQKQHPLHMYDD-LSDHHAIUSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1nc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)co1 ZINC001484121883 1191221803 /nfs/dbraw/zinc/22/18/03/1191221803.db2.gz KZLAQAFGMOPBIK-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484381532 1191324157 /nfs/dbraw/zinc/32/41/57/1191324157.db2.gz RCDREUDRWRSKIR-PKOBYXMFSA-N 2 0 346.519 2.306 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001484546195 1191408032 /nfs/dbraw/zinc/40/80/32/1191408032.db2.gz DZVFFCHVQMWEHN-QGBLLJAOSA-N 2 0 336.307 2.474 10 0 EEAERP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001484747460 1191505069 /nfs/dbraw/zinc/50/50/69/1191505069.db2.gz QQCBBAAUTFFHJY-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)CCC3)C1)[NH+](C)C ZINC001485103371 1191652682 /nfs/dbraw/zinc/65/26/82/1191652682.db2.gz PQMXGDUGPXMLET-GQOXECLESA-N 2 0 343.515 2.500 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]Cc2cscn2)C1 ZINC001485110330 1191657636 /nfs/dbraw/zinc/65/76/36/1191657636.db2.gz FGVGLKJYWVFWGC-UHFFFAOYSA-N 2 0 336.505 2.004 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485185484 1191680493 /nfs/dbraw/zinc/68/04/93/1191680493.db2.gz FRHMVIKMWAJDEK-HUUCEWRRSA-N 2 0 330.476 2.493 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001485207323 1191693712 /nfs/dbraw/zinc/69/37/12/1191693712.db2.gz UKHQJODANUAUQO-UONOGXRCSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485300831 1191726367 /nfs/dbraw/zinc/72/63/67/1191726367.db2.gz RUQRKEAQUVRDKK-AEFFLSMTSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C/C=C\c1ccccc1 ZINC001485373135 1191770056 /nfs/dbraw/zinc/77/00/56/1191770056.db2.gz KTYCZNADEVXWAT-OSKOBQJQSA-N 2 0 329.488 2.478 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)C1 ZINC001485455912 1191791989 /nfs/dbraw/zinc/79/19/89/1191791989.db2.gz AGNLPJIREMCDOS-QGZVFWFLSA-N 2 0 344.503 2.332 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC001486253586 1193781410 /nfs/dbraw/zinc/78/14/10/1193781410.db2.gz MYYCWQGVYQEJCW-UONOGXRCSA-N 2 0 347.425 2.251 10 0 EEAERP COC[C@H](C)[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001486507829 1194018133 /nfs/dbraw/zinc/01/81/33/1194018133.db2.gz YGIPONNTHFSMDA-INIZCTEOSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001273075767 1194369742 /nfs/dbraw/zinc/36/97/42/1194369742.db2.gz JROJATXODVECJZ-MRXNPFEDSA-N 2 0 340.471 2.441 10 0 EEAERP C[NH+](C)C1CC([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000701486753 1195403459 /nfs/dbraw/zinc/40/34/59/1195403459.db2.gz VTYDVQMEALCVTC-UHFFFAOYSA-N 2 0 331.460 2.470 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176004 1197344939 /nfs/dbraw/zinc/34/49/39/1197344939.db2.gz ODPKSJWDCCWDAI-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410489532 1198042585 /nfs/dbraw/zinc/04/25/85/1198042585.db2.gz UFTUPCGBXOGXNR-HIFRSBDPSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001410503868 1198058069 /nfs/dbraw/zinc/05/80/69/1198058069.db2.gz JKSCRTPWHLZFOD-OAHLLOKOSA-N 2 0 337.512 2.049 10 0 EEAERP C[N@H+](CCCCCC[NH3+])[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000872155857 1198062945 /nfs/dbraw/zinc/06/29/45/1198062945.db2.gz YNNGHPKPKCWHBB-CQSZACIVSA-N 2 0 342.281 2.426 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc(/C=C/[C@H]3CCC[NH2+]C3)n2)ccn1 ZINC000872174747 1198071419 /nfs/dbraw/zinc/07/14/19/1198071419.db2.gz GCEPNHGWNGWHFE-VBROQKIQSA-N 2 0 343.431 2.085 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000872205908 1198085179 /nfs/dbraw/zinc/08/51/79/1198085179.db2.gz LIXATEDZLALYJJ-LWYYNNOASA-N 2 0 346.515 2.399 10 0 EEAERP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255959 1198114267 /nfs/dbraw/zinc/11/42/67/1198114267.db2.gz PDHYWSGNPPKIDL-OAGGEKHMSA-N 2 0 335.835 2.015 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865482961 1198240489 /nfs/dbraw/zinc/24/04/89/1198240489.db2.gz CJFQJNBLTQYCLX-UHFFFAOYSA-N 2 0 330.451 2.490 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001411242506 1198961306 /nfs/dbraw/zinc/96/13/06/1198961306.db2.gz YVHRKWHJWUHNEL-AQFXKWCLSA-N 2 0 348.491 2.245 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC001411258579 1198990922 /nfs/dbraw/zinc/99/09/22/1198990922.db2.gz XHWFWUPSSJXIHW-UHFFFAOYSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000810177382 1199332060 /nfs/dbraw/zinc/33/20/60/1199332060.db2.gz QHDACLKMBYEOTG-YJBOKZPZSA-N 2 0 327.488 2.437 10 0 EEAERP CCCOc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870023460 1200413157 /nfs/dbraw/zinc/41/31/57/1200413157.db2.gz ZCXZNEHAXWKUNO-QZTJIDSGSA-N 2 0 347.503 2.287 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870868395 1200920619 /nfs/dbraw/zinc/92/06/19/1200920619.db2.gz GCEUGXAABPAGHB-UWVAXJGDSA-N 2 0 327.472 2.203 10 0 EEAERP CN(CC[NH+]1CC2(C1)CCOCC2)c1cc[nH+]c2c(O)cccc12 ZINC000866257791 1201477357 /nfs/dbraw/zinc/47/73/57/1201477357.db2.gz LTHPGJQEGXYSEV-UHFFFAOYSA-N 2 0 327.428 2.489 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)c1ccc(F)cc1F ZINC000880669001 1201556021 /nfs/dbraw/zinc/55/60/21/1201556021.db2.gz BLRYQRCZSNXUPD-UHFFFAOYSA-N 2 0 341.446 2.242 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000866661410 1201573104 /nfs/dbraw/zinc/57/31/04/1201573104.db2.gz QGDYPQHYLAULQS-ZJSKIRLGSA-N 2 0 344.455 2.466 10 0 EEAERP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702405 1201584386 /nfs/dbraw/zinc/58/43/86/1201584386.db2.gz BNPZWUNVODUWEB-YWZLYKJASA-N 2 0 347.503 2.397 10 0 EEAERP C[N@H+](CCCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000868006730 1201724849 /nfs/dbraw/zinc/72/48/49/1201724849.db2.gz WVDHGUVIYKBYKP-MOPGFXCFSA-N 2 0 344.503 2.244 10 0 EEAERP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2c(c1)COCC2 ZINC000883014202 1201996301 /nfs/dbraw/zinc/99/63/01/1201996301.db2.gz LFVXZEMZGFPLPI-INIZCTEOSA-N 2 0 330.472 2.350 10 0 EEAERP COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000886537190 1202519666 /nfs/dbraw/zinc/51/96/66/1202519666.db2.gz VRXHJQFLTCMZOH-YJBOKZPZSA-N 2 0 346.471 2.075 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001274002558 1204288361 /nfs/dbraw/zinc/28/83/61/1204288361.db2.gz LWGNAGLGNLPKDG-MSOLQXFVSA-N 2 0 349.519 2.225 10 0 EEAERP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000887934823 1204511790 /nfs/dbraw/zinc/51/17/90/1204511790.db2.gz WMLQVUBOZRCZDA-SBHAEUEKSA-N 2 0 341.499 2.309 10 0 EEAERP CCOCCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001274398399 1205021352 /nfs/dbraw/zinc/02/13/52/1205021352.db2.gz MPHKAQSGDZXXBE-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(CCC[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001274578680 1205086080 /nfs/dbraw/zinc/08/60/80/1205086080.db2.gz MEPZFFJGADGZOI-GNAXCBTBSA-N 2 0 329.488 2.141 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001275129346 1205263733 /nfs/dbraw/zinc/26/37/33/1205263733.db2.gz SMDZYBOSJYSLGM-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001275179424 1205275987 /nfs/dbraw/zinc/27/59/87/1205275987.db2.gz FUKBSNCHWXDSLE-ZDUSSCGKSA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001275517173 1205392583 /nfs/dbraw/zinc/39/25/83/1205392583.db2.gz UBBCYDONWZEVKE-JKSUJKDBSA-N 2 0 347.507 2.042 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC001411665035 1205478136 /nfs/dbraw/zinc/47/81/36/1205478136.db2.gz IQGIYEFTVKHISK-UHFFFAOYSA-N 2 0 329.488 2.395 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001276001363 1205628202 /nfs/dbraw/zinc/62/82/02/1205628202.db2.gz INGGQDNQXXJCCP-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccnc(Cl)c1 ZINC001276013664 1205637029 /nfs/dbraw/zinc/63/70/29/1205637029.db2.gz YQXWBRFRDXCONV-CYBMUJFWSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)cs1 ZINC001276100122 1205780359 /nfs/dbraw/zinc/78/03/59/1205780359.db2.gz XWHSICCCVNWYRM-UHFFFAOYSA-N 2 0 336.505 2.018 10 0 EEAERP Cc1cncn1CC(=O)NC1(C[NH2+]CCOC2CCC2)CCCCC1 ZINC001276213214 1205839524 /nfs/dbraw/zinc/83/95/24/1205839524.db2.gz MIAWIEAPGZDVRS-UHFFFAOYSA-N 2 0 348.491 2.169 10 0 EEAERP CN(CCC[NH2+]Cc1cscn1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001276227817 1205844468 /nfs/dbraw/zinc/84/44/68/1205844468.db2.gz YIRCGLLIXGUELE-UHFFFAOYSA-N 2 0 326.510 2.059 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1 ZINC001276243403 1205851447 /nfs/dbraw/zinc/85/14/47/1205851447.db2.gz BKCZRJGDUWTQFS-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924631336 1206007288 /nfs/dbraw/zinc/00/72/88/1206007288.db2.gz GWMWQZQAGYQSRW-FXAWDEMLSA-N 2 0 330.520 2.408 10 0 EEAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000925154023 1206077458 /nfs/dbraw/zinc/07/74/58/1206077458.db2.gz GYWZJAYZFWECAA-INIZCTEOSA-N 2 0 332.492 2.388 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925480779 1206117877 /nfs/dbraw/zinc/11/78/77/1206117877.db2.gz XCTVHSODBDXQNI-RTBURBONSA-N 3 0 347.503 2.003 10 0 EEAERP CC1(C)[C@@H]([NH2+]Cc2ccccc2Cn2cncn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530305 1206123997 /nfs/dbraw/zinc/12/39/97/1206123997.db2.gz CXUOMXOLHGBFHF-SQNIBIBYSA-N 2 0 325.460 2.193 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925538074 1206124949 /nfs/dbraw/zinc/12/49/49/1206124949.db2.gz QQMVEUNHMVZWDW-UXHICEINSA-N 3 0 342.531 2.054 10 0 EEAERP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925566625 1206129073 /nfs/dbraw/zinc/12/90/73/1206129073.db2.gz DXVWFQMWBBQQIQ-NBMJBFSESA-N 2 0 332.488 2.409 10 0 EEAERP CC1(C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620657 1206136441 /nfs/dbraw/zinc/13/64/41/1206136441.db2.gz WSDDKPJBBOZLRB-MTHXSQLBSA-N 2 0 335.536 2.121 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C1 ZINC000925728811 1206146896 /nfs/dbraw/zinc/14/68/96/1206146896.db2.gz WUPOLIFUVHKHAF-IRXDYDNUSA-N 2 0 330.476 2.207 10 0 EEAERP CCn1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)cn1 ZINC000925806849 1206155700 /nfs/dbraw/zinc/15/57/00/1206155700.db2.gz BNTCNXZVKHYQJW-MRXNPFEDSA-N 2 0 327.476 2.159 10 0 EEAERP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853573 1206161519 /nfs/dbraw/zinc/16/15/19/1206161519.db2.gz PVJAWAXXCJPLLO-HOCLYGCPSA-N 2 0 334.435 2.422 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925858045 1206162076 /nfs/dbraw/zinc/16/20/76/1206162076.db2.gz RPMUVBKQDWIISL-NVXWUHKLSA-N 2 0 332.419 2.478 10 0 EEAERP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926151944 1206199116 /nfs/dbraw/zinc/19/91/16/1206199116.db2.gz YMHVXMMSMZPNTG-DLBZAZTESA-N 2 0 346.500 2.034 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000926202435 1206204019 /nfs/dbraw/zinc/20/40/19/1206204019.db2.gz LSVZVGRFUSFWQW-SJORKVTESA-N 2 0 333.524 2.360 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(-n2cnnc2)c1 ZINC000926686523 1206237319 /nfs/dbraw/zinc/23/73/19/1206237319.db2.gz PUVREKTWDKZHIF-DLBZAZTESA-N 2 0 344.507 2.190 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2C)C1)[NH+](C)C ZINC001490852116 1209760172 /nfs/dbraw/zinc/76/01/72/1209760172.db2.gz LIZTUYFCXYDUPZ-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@]12CN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000717975721 1211681645 /nfs/dbraw/zinc/68/16/45/1211681645.db2.gz GZNXHYDBAVDICP-RCLSDMTESA-N 2 0 341.499 2.484 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279210691 1229147361 /nfs/dbraw/zinc/14/73/61/1229147361.db2.gz NUMQCBJEYXOSNZ-IRXDYDNUSA-N 2 0 344.503 2.416 10 0 EEAERP Cc1ccc([C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001413073686 1231806891 /nfs/dbraw/zinc/80/68/91/1231806891.db2.gz CUZZOZSQJLOBCA-IBGZPJMESA-N 2 0 332.488 2.341 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900300009 1234178691 /nfs/dbraw/zinc/17/86/91/1234178691.db2.gz NSYCOKGPEIPWKI-FHWLQOOXSA-N 2 0 329.488 2.292 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccccc1 ZINC000900556347 1234480438 /nfs/dbraw/zinc/48/04/38/1234480438.db2.gz BPJYGVSGZLFBSM-OXQOHEQNSA-N 2 0 347.503 2.079 10 0 EEAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902745816 1238382950 /nfs/dbraw/zinc/38/29/50/1238382950.db2.gz WKNZLQUQMLFWNR-MJGOQNOKSA-N 2 0 331.504 2.243 10 0 EEAERP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903083984 1239691058 /nfs/dbraw/zinc/69/10/58/1239691058.db2.gz SCNMMBKQPRWPTD-AQNXPRMDSA-N 2 0 330.472 2.436 10 0 EEAERP COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C(C)C)cc1 ZINC000903495896 1240668640 /nfs/dbraw/zinc/66/86/40/1240668640.db2.gz BIJVKBKAUSFEMT-WRWLIDTKSA-N 2 0 347.503 2.425 10 0 EEAERP COCCN1CC[C@@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383079915 1241368531 /nfs/dbraw/zinc/36/85/31/1241368531.db2.gz SVVQHIZQNVLLKZ-WOJBJXKFSA-N 2 0 331.504 2.209 10 0 EEAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000903736971 1241777576 /nfs/dbraw/zinc/77/75/76/1241777576.db2.gz ODPSFUFDTPBTHB-SLFFLAALSA-N 3 0 335.536 2.343 10 0 EEAERP c1ccc([C@]23COC[C@H]2C[N@@H+](C[C@H]2CC4(CO2)CC[NH2+]CC4)C3)cc1 ZINC000903785188 1241955421 /nfs/dbraw/zinc/95/54/21/1241955421.db2.gz WDLBGRUUJBIPOI-SBHAEUEKSA-N 2 0 342.483 2.045 10 0 EEAERP CC(C)(C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000903923282 1242514445 /nfs/dbraw/zinc/51/44/45/1242514445.db2.gz PWHAWZBFMXILCT-AWEZNQCLSA-N 2 0 331.439 2.409 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cnn1C ZINC000903925139 1242519907 /nfs/dbraw/zinc/51/99/07/1242519907.db2.gz KSQHOKGSPNAMAU-NUJGCVRESA-N 2 0 336.524 2.277 10 0 EEAERP C[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000903932577 1242555288 /nfs/dbraw/zinc/55/52/88/1242555288.db2.gz DWJTZWJXRBOZDF-YOEHRIQHSA-N 2 0 341.459 2.378 10 0 EEAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955951 1242706222 /nfs/dbraw/zinc/70/62/22/1242706222.db2.gz CUWJKBCSALYDPO-OLZOCXBDSA-N 2 0 341.402 2.247 10 0 EEAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(Cl)Cl ZINC001490976064 1258525028 /nfs/dbraw/zinc/52/50/28/1258525028.db2.gz RLJCNIVUFIPGST-YHWZYXNKSA-N 2 0 334.291 2.369 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001491051354 1258615090 /nfs/dbraw/zinc/61/50/90/1258615090.db2.gz ZOTDEOSHKNMVJV-CALCHBBNSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491112430 1258689901 /nfs/dbraw/zinc/68/99/01/1258689901.db2.gz ZBAMPHYBDBXQEC-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491176251 1258740244 /nfs/dbraw/zinc/74/02/44/1258740244.db2.gz XCTKRZNBAXJTPM-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491252999 1258846291 /nfs/dbraw/zinc/84/62/91/1258846291.db2.gz HLLOTITWMBAZEE-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001491456455 1259101455 /nfs/dbraw/zinc/10/14/55/1259101455.db2.gz XUEBKQQHPPKREM-DYVFJYSZSA-N 2 0 336.480 2.013 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC001491461444 1259112557 /nfs/dbraw/zinc/11/25/57/1259112557.db2.gz FQJUWAMQGHKZOO-VHDGCEQUSA-N 2 0 338.883 2.060 10 0 EEAERP CCN(CC[NH2+]CCC1CC1)C(=O)Cc1cn2cccc(C)c2n1 ZINC001273660105 1282542068 /nfs/dbraw/zinc/54/20/68/1282542068.db2.gz DTAANBQHMZLXAH-UHFFFAOYSA-N 2 0 328.460 2.423 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273710552 1283857720 /nfs/dbraw/zinc/85/77/20/1283857720.db2.gz YSYOZTFJVDSUPH-SFHVURJKSA-N 2 0 347.503 2.284 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001277866163 1304973528 /nfs/dbraw/zinc/97/35/28/1304973528.db2.gz QFUDEROLEBCYID-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001488803085 1290202325 /nfs/dbraw/zinc/20/23/25/1290202325.db2.gz CZKQMHSDEBGUHV-ADAWSYLGSA-N 2 0 348.466 2.078 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(Cl)ccc1F ZINC001490279809 1291105917 /nfs/dbraw/zinc/10/59/17/1291105917.db2.gz POLMGXGLCPZVDQ-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001490281828 1291110621 /nfs/dbraw/zinc/11/06/21/1291110621.db2.gz NTMCMPGKHXFSMR-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1oncc1C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001490409298 1291322215 /nfs/dbraw/zinc/32/22/15/1291322215.db2.gz KHDKLIWCGMMGAG-QGZVFWFLSA-N 2 0 348.491 2.280 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCc1ccccc1F)C1CC1 ZINC001490680233 1291563148 /nfs/dbraw/zinc/56/31/48/1291563148.db2.gz UNOIEPGYULHBLG-RTBURBONSA-N 2 0 347.478 2.337 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)n1 ZINC000852907156 1292231684 /nfs/dbraw/zinc/23/16/84/1292231684.db2.gz FFWBJHDKYYTZTR-JALIKCBVSA-N 2 0 336.867 2.175 10 0 EEAERP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000854228397 1292679033 /nfs/dbraw/zinc/67/90/33/1292679033.db2.gz VKALEBUMJPBEIT-WUJZJPHMSA-N 2 0 329.444 2.382 10 0 EEAERP CCn1cncc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856548671 1293562029 /nfs/dbraw/zinc/56/20/29/1293562029.db2.gz LXHZURFHBCJRRI-IBGZPJMESA-N 2 0 343.475 2.403 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)cnn3C)C2)ccn1 ZINC000856548704 1293562875 /nfs/dbraw/zinc/56/28/75/1293562875.db2.gz MHDZIMPAQPSJKB-SFHVURJKSA-N 2 0 343.475 2.229 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOC(F)F)C2)ccn1 ZINC000856583970 1293571767 /nfs/dbraw/zinc/57/17/67/1293571767.db2.gz VMYCDYWIQXJPBE-OAHLLOKOSA-N 2 0 329.391 2.226 10 0 EEAERP c1n[nH]c2c1CCC[C@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000857845872 1293929015 /nfs/dbraw/zinc/92/90/15/1293929015.db2.gz UCRUJBIVDSNQIU-LJQANCHMSA-N 2 0 339.487 2.195 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001276995563 1300729411 /nfs/dbraw/zinc/72/94/11/1300729411.db2.gz LKPIVJFHEXWWJG-FHWLQOOXSA-N 2 0 331.504 2.300 10 0 EEAERP COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001277316049 1302331115 /nfs/dbraw/zinc/33/11/15/1302331115.db2.gz HAQAWZZJSCWZSX-HQSKLWIPSA-N 2 0 339.524 2.111 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c(C)n1 ZINC001277356886 1302621677 /nfs/dbraw/zinc/62/16/77/1302621677.db2.gz YGDRDMBYZSNJAU-OAHLLOKOSA-N 2 0 332.492 2.169 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001277475026 1303570398 /nfs/dbraw/zinc/57/03/98/1303570398.db2.gz WRKGPGYUNZWQTL-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)CC[N@@H+]1C ZINC000697086680 1304316080 /nfs/dbraw/zinc/31/60/80/1304316080.db2.gz QAOFFLICQCGDBX-HUUCEWRRSA-N 2 0 341.496 2.133 10 0 EEAERP C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc3nccn3c2)CC1 ZINC001118842907 1308951013 /nfs/dbraw/zinc/95/10/13/1308951013.db2.gz GEVLZHCKCOQNRV-UHFFFAOYSA-N 2 0 335.411 2.338 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccnc(F)c2)CC1 ZINC001118856229 1308953148 /nfs/dbraw/zinc/95/31/48/1308953148.db2.gz UJZNDEWIVSHPQW-UHFFFAOYSA-N 2 0 329.419 2.467 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000841848447 1315622189 /nfs/dbraw/zinc/62/21/89/1315622189.db2.gz MUCOEBIVAORKSG-OAHLLOKOSA-N 2 0 338.883 2.281 10 0 EEAERP CC(C)N1CCO[C@H](C(=[NH2+])NOCCc2c(F)cccc2F)C1 ZINC000842649243 1315745320 /nfs/dbraw/zinc/74/53/20/1315745320.db2.gz DATUOBGUEDRSFI-HNNXBMFYSA-N 2 0 327.375 2.115 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(C[NH3+])cc2)cc(Cl)n1 ZINC000843512025 1315927051 /nfs/dbraw/zinc/92/70/51/1315927051.db2.gz FBKZCJUCYJLKCQ-HNNXBMFYSA-N 2 0 332.835 2.208 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CCCCN2CCOCC2)[C@H]1C ZINC001278521416 1317131518 /nfs/dbraw/zinc/13/15/18/1317131518.db2.gz NKUSFNUBOAORBI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278594341 1317306985 /nfs/dbraw/zinc/30/69/85/1317306985.db2.gz NWMZOSKWMXRQCS-RDJZCZTQSA-N 2 0 335.467 2.194 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278594342 1317307236 /nfs/dbraw/zinc/30/72/36/1317307236.db2.gz NWMZOSKWMXRQCS-WBVHZDCISA-N 2 0 335.467 2.194 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]CCCCCF ZINC001278639536 1317527874 /nfs/dbraw/zinc/52/78/74/1317527874.db2.gz KNCWZTXDMPXCDL-SJORKVTESA-N 2 0 339.499 2.295 10 0 EEAERP CC(C)OCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001276413875 1321919899 /nfs/dbraw/zinc/91/98/99/1321919899.db2.gz JKNJFKSXXACPLG-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001264191769 1322658526 /nfs/dbraw/zinc/65/85/26/1322658526.db2.gz XWPDEMAPGQXGGP-UHFFFAOYSA-N 2 0 338.521 2.259 10 0 EEAERP CN(CCOCC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001264665321 1322772397 /nfs/dbraw/zinc/77/23/97/1322772397.db2.gz YEGKLQCYTFYMIW-KRWDZBQOSA-N 2 0 341.540 2.314 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264755335 1322810084 /nfs/dbraw/zinc/81/00/84/1322810084.db2.gz NQPKOSSQTHCALV-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C)nc1C ZINC001265104539 1322921617 /nfs/dbraw/zinc/92/16/17/1322921617.db2.gz WMNZNLKDZZNVIZ-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)c1cnc(C)cn1 ZINC001265128094 1322934986 /nfs/dbraw/zinc/93/49/86/1322934986.db2.gz OEDIWMGZXHZRFV-WMZOPIPTSA-N 2 0 347.507 2.159 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1C ZINC001265143029 1322945268 /nfs/dbraw/zinc/94/52/68/1322945268.db2.gz VHGCEDVWOCZVHS-UHFFFAOYSA-N 2 0 329.488 2.419 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001265311002 1323061127 /nfs/dbraw/zinc/06/11/27/1323061127.db2.gz ZCGNRODQHZJAQJ-SFHVURJKSA-N 2 0 349.519 2.178 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCOC(C)C)CC2)CC[N@@H+]1C ZINC001265735151 1323356376 /nfs/dbraw/zinc/35/63/76/1323356376.db2.gz MSEJBNBDGPEBQH-ZGUYJTEBSA-N 2 0 339.524 2.159 10 0 EEAERP Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265954344 1323517086 /nfs/dbraw/zinc/51/70/86/1323517086.db2.gz OBQGIBLIHNIXMM-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cc(C)no1 ZINC001266092244 1323651126 /nfs/dbraw/zinc/65/11/26/1323651126.db2.gz NKHALIPNXZUEQS-WMZOPIPTSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccon1)[NH+](C)C ZINC001266231598 1323810755 /nfs/dbraw/zinc/81/07/55/1323810755.db2.gz LYFGBOLXPYMEHL-IAGOWNOFSA-N 2 0 336.480 2.122 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001280173922 1324104458 /nfs/dbraw/zinc/10/44/58/1324104458.db2.gz UQTZNTROSYPLSN-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001281459418 1325124887 /nfs/dbraw/zinc/12/48/87/1325124887.db2.gz TYXMFONSHAJHHP-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCF)(c2ccccc2)CC1 ZINC001281586005 1325324852 /nfs/dbraw/zinc/32/48/52/1325324852.db2.gz GLJKGWRBFXAMHT-SFHVURJKSA-N 2 0 347.478 2.200 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC[C@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001282288438 1325678507 /nfs/dbraw/zinc/67/85/07/1325678507.db2.gz HJGCGZMLOYDXDL-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001282914807 1325833083 /nfs/dbraw/zinc/83/30/83/1325833083.db2.gz LNZOJHSVIFLFKL-IAGOWNOFSA-N 2 0 337.508 2.033 10 0 EEAERP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001282957878 1325853586 /nfs/dbraw/zinc/85/35/86/1325853586.db2.gz JGRYLNWLDRTUFQ-BZSNNMDCSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283147341 1325934607 /nfs/dbraw/zinc/93/46/07/1325934607.db2.gz VCVQIULZLDMVKH-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccn(C)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283173218 1325944037 /nfs/dbraw/zinc/94/40/37/1325944037.db2.gz JLNFSKIEGKBIPV-MRXNPFEDSA-N 2 0 349.523 2.059 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001283652630 1326183743 /nfs/dbraw/zinc/18/37/43/1326183743.db2.gz LPCRJWLOZUWAOZ-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCCC(F)(F)F ZINC001283681810 1326199584 /nfs/dbraw/zinc/19/95/84/1326199584.db2.gz YZVJFVMMRLSITP-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001283704820 1326210730 /nfs/dbraw/zinc/21/07/30/1326210730.db2.gz PGHZDVGGYQXDRR-CZUORRHYSA-N 2 0 340.899 2.258 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001284002791 1326358263 /nfs/dbraw/zinc/35/82/63/1326358263.db2.gz YLIXWZXDRRNRON-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001284150381 1326436368 /nfs/dbraw/zinc/43/63/68/1326436368.db2.gz BWQZCHPANIGATG-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284349954 1326514429 /nfs/dbraw/zinc/51/44/29/1326514429.db2.gz RUBNCFPGNIDJPQ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001284818368 1326727757 /nfs/dbraw/zinc/72/77/57/1326727757.db2.gz JIIUHPJZOIVJDH-UHFFFAOYSA-N 2 0 347.478 2.433 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](Cc3ccccc3)CC2)C1 ZINC001284976407 1326805360 /nfs/dbraw/zinc/80/53/60/1326805360.db2.gz HGTNULYXYYJASM-IBGZPJMESA-N 2 0 327.472 2.277 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001491791521 1330257055 /nfs/dbraw/zinc/25/70/55/1330257055.db2.gz OCENOAXVPSZQOW-PMACEKPBSA-N 2 0 343.515 2.324 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001491891905 1330292093 /nfs/dbraw/zinc/29/20/93/1330292093.db2.gz PKZKCEWFIPCPLO-QWHCGFSZSA-N 2 0 333.398 2.052 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491897298 1330294658 /nfs/dbraw/zinc/29/46/58/1330294658.db2.gz VEZIIZQSDACAFJ-JKSUJKDBSA-N 2 0 336.480 2.149 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001491946156 1330338084 /nfs/dbraw/zinc/33/80/84/1330338084.db2.gz ANOZBBRNMJBILJ-IBGZPJMESA-N 2 0 347.503 2.208 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)c1 ZINC001492302994 1331142086 /nfs/dbraw/zinc/14/20/86/1331142086.db2.gz GQJXVJHJIGTZKD-MJGOQNOKSA-N 2 0 345.487 2.260 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316688816 1331339827 /nfs/dbraw/zinc/33/98/27/1331339827.db2.gz RHQYPJBRCMSALK-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](C(=O)NCCC[N@H+](C)C[C@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001316854974 1331477552 /nfs/dbraw/zinc/47/75/52/1331477552.db2.gz QFSGZPUBWYDRLF-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cn1cncc1CC(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC001316858168 1331624115 /nfs/dbraw/zinc/62/41/15/1331624115.db2.gz CUIVPEMCMUFWRR-UHFFFAOYSA-N 2 0 334.851 2.254 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCCCCF)C1 ZINC001316695987 1331671501 /nfs/dbraw/zinc/67/15/01/1331671501.db2.gz CTWXMTYQACEQGX-IKGGRYGDSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccccc1CCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865408 1331775035 /nfs/dbraw/zinc/77/50/35/1331775035.db2.gz KABJCUMXMYAFKN-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP Cc1cnc([C@@H](C)[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cn1 ZINC001316824808 1331915867 /nfs/dbraw/zinc/91/58/67/1331915867.db2.gz MCUUCCMFPMVODD-SJLPKXTDSA-N 2 0 347.507 2.157 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)[C@@H](c2ccccc2)C1 ZINC001317193632 1332124461 /nfs/dbraw/zinc/12/44/61/1332124461.db2.gz HRUUTEGNXIIIFJ-QRVBRYPASA-N 2 0 347.478 2.272 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC(F)(F)F ZINC001317429978 1332233723 /nfs/dbraw/zinc/23/37/23/1332233723.db2.gz ZLGQZBRJSBSZSJ-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317654928 1332351372 /nfs/dbraw/zinc/35/13/72/1332351372.db2.gz MSOINOSUXIBDGN-IRXDYDNUSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1oncc1C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001317700933 1332379451 /nfs/dbraw/zinc/37/94/51/1332379451.db2.gz ZIAWZVBCCWYGDS-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC001318240901 1332495361 /nfs/dbraw/zinc/49/53/61/1332495361.db2.gz RZPALGIKHLWXOC-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCOCc2ccccc2)C1)[NH+](C)C ZINC001318443375 1332535464 /nfs/dbraw/zinc/53/54/64/1332535464.db2.gz WNAMPELFSBKGIA-RBUKOAKNSA-N 2 0 347.503 2.076 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001318828905 1332605803 /nfs/dbraw/zinc/60/58/03/1332605803.db2.gz XDCRUCZTNKHLED-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001318847786 1332610474 /nfs/dbraw/zinc/61/04/74/1332610474.db2.gz ACCGLDHRRINPFB-ROUUACIJSA-N 2 0 344.503 2.142 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001318995942 1332634342 /nfs/dbraw/zinc/63/43/42/1332634342.db2.gz KERYWVZBILBWEC-RBUKOAKNSA-N 2 0 345.487 2.056 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001319169254 1332660053 /nfs/dbraw/zinc/66/00/53/1332660053.db2.gz ZSCBFJKGZXFMLY-MJGOQNOKSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001319207364 1332665776 /nfs/dbraw/zinc/66/57/76/1332665776.db2.gz SXWAXZKKHUFYEP-GFCCVEGCSA-N 2 0 343.456 2.255 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001319533659 1332716930 /nfs/dbraw/zinc/71/69/30/1332716930.db2.gz JDHWWFLYTUNMAR-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCc1ccsc1 ZINC001319697526 1332744948 /nfs/dbraw/zinc/74/49/48/1332744948.db2.gz ULRZSVLRVHIQEW-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001320060454 1332817519 /nfs/dbraw/zinc/81/75/19/1332817519.db2.gz YEJMWOZAQLEGOZ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320549284 1332907675 /nfs/dbraw/zinc/90/76/75/1332907675.db2.gz QHCWDFNOZZPSPR-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP COc1cccc(OCC[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001414068141 1332915425 /nfs/dbraw/zinc/91/54/25/1332915425.db2.gz PLFUQNALOHSGOL-UHFFFAOYSA-N 2 0 348.487 2.387 10 0 EEAERP CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320816875 1332958880 /nfs/dbraw/zinc/95/88/80/1332958880.db2.gz CUTCWGAOPXVTTO-QGZVFWFLSA-N 2 0 329.444 2.465 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001321208623 1333044908 /nfs/dbraw/zinc/04/49/08/1333044908.db2.gz BAPOACBWXBVOEA-OAJJDEHYSA-N 2 0 345.462 2.417 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001321284679 1333064172 /nfs/dbraw/zinc/06/41/72/1333064172.db2.gz HBNHWHFCEWUKPJ-YJZIAQIGSA-N 2 0 342.487 2.169 10 0 EEAERP CCCC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001323034703 1333373138 /nfs/dbraw/zinc/37/31/38/1333373138.db2.gz TWHCEGLPLRWOBJ-KRWDZBQOSA-N 2 0 327.432 2.165 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1)[NH+](C)C ZINC001323540942 1333485145 /nfs/dbraw/zinc/48/51/45/1333485145.db2.gz GWIFZSFIJVJCQS-NEPJUHHUSA-N 2 0 336.307 2.149 10 0 EEAERP CCOCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001324556330 1333708568 /nfs/dbraw/zinc/70/85/68/1333708568.db2.gz HASNSGILUTVRPF-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP CCOCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324646493 1333730306 /nfs/dbraw/zinc/73/03/06/1333730306.db2.gz HRUUSAIJGKOBGF-FQEVSTJZSA-N 2 0 347.503 2.021 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001325454195 1333889389 /nfs/dbraw/zinc/88/93/89/1333889389.db2.gz DHNRUGMLWGHLGZ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001326302047 1334063546 /nfs/dbraw/zinc/06/35/46/1334063546.db2.gz FPRVESCMSORVMP-CRAIPNDOSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001327165051 1334238907 /nfs/dbraw/zinc/23/89/07/1334238907.db2.gz ZOGNPCBBLDYQMT-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001327492989 1334301513 /nfs/dbraw/zinc/30/15/13/1334301513.db2.gz OVNMXZZKMXTRFL-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C)on1 ZINC001327959071 1334370493 /nfs/dbraw/zinc/37/04/93/1334370493.db2.gz PPMYMPCAJLETLC-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2OC)C[C@@H]1C ZINC001328255035 1334427280 /nfs/dbraw/zinc/42/72/80/1334427280.db2.gz GXSKQQFHNCBWDC-RDJZCZTQSA-N 2 0 349.475 2.028 10 0 EEAERP O=C(NC1CC(C[NH2+]CCC2CC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001328939812 1334552379 /nfs/dbraw/zinc/55/23/79/1334552379.db2.gz ARCQCGGLQWJTIT-UHFFFAOYSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001331471560 1335019389 /nfs/dbraw/zinc/01/93/89/1335019389.db2.gz DLLYZIJCSVJVMC-WBVHZDCISA-N 2 0 345.491 2.009 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001331943984 1335683554 /nfs/dbraw/zinc/68/35/54/1335683554.db2.gz LUQTYCWFCXWIDB-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001332274197 1335788211 /nfs/dbraw/zinc/78/82/11/1335788211.db2.gz ZXNKJNWVOFWCOR-CHWSQXEVSA-N 2 0 335.414 2.298 10 0 EEAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001332470299 1335830881 /nfs/dbraw/zinc/83/08/81/1335830881.db2.gz JBIZVSZMVYMIBI-KBPBESRZSA-N 2 0 337.430 2.353 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]C/C=C/Cl)cc2F)C1 ZINC001333478944 1336056460 /nfs/dbraw/zinc/05/64/60/1336056460.db2.gz GJFSIHNWBPNUPO-OYLQIYHASA-N 2 0 339.842 2.236 10 0 EEAERP C/C(=C/c1ccccn1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000847487901 1338099349 /nfs/dbraw/zinc/09/93/49/1338099349.db2.gz NHJDQQAXAZGXDN-MSUUIHNZSA-N 2 0 332.492 2.217 10 0 EEAERP C/C(=C\c1ccccn1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000847487902 1338099480 /nfs/dbraw/zinc/09/94/80/1338099480.db2.gz NHJDQQAXAZGXDN-WUKNDPDISA-N 2 0 332.492 2.217 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001413869207 1338572212 /nfs/dbraw/zinc/57/22/12/1338572212.db2.gz MDJADOKSFPCZQD-AITUJVMLSA-N 2 0 345.487 2.191 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001433627653 1341643420 /nfs/dbraw/zinc/64/34/20/1341643420.db2.gz UGBUQDSEIJXFAB-RBUKOAKNSA-N 2 0 347.478 2.449 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1)C(=O)C[NH+]1CCCC1 ZINC001436327926 1342031355 /nfs/dbraw/zinc/03/13/55/1342031355.db2.gz HBDNCMHXGKDCFA-SFHVURJKSA-N 2 0 340.471 2.296 10 0 EEAERP CCC1([NH2+]Cc2conc2C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001502497635 1342198867 /nfs/dbraw/zinc/19/88/67/1342198867.db2.gz FCTUPXZPBJKZAT-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCF)C1 ZINC001566823399 1342635347 /nfs/dbraw/zinc/63/53/47/1342635347.db2.gz RLRXUZNXNUUHEH-MGNMYUMUSA-N 2 0 325.472 2.190 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001566983817 1342672928 /nfs/dbraw/zinc/67/29/28/1342672928.db2.gz AHQUTYXTHOLPGL-DAWZGUTISA-N 2 0 339.524 2.303 10 0 EEAERP C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507534 1342774961 /nfs/dbraw/zinc/77/49/61/1342774961.db2.gz FCDYTVYGZZGRKT-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1 ZINC001567663056 1342808302 /nfs/dbraw/zinc/80/83/02/1342808302.db2.gz FUOGXLJYQIMNEB-OALUTQOASA-N 2 0 347.503 2.079 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568775908 1342853628 /nfs/dbraw/zinc/85/36/28/1342853628.db2.gz PQGGAUZAKJTREF-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568775909 1342853909 /nfs/dbraw/zinc/85/39/09/1342853909.db2.gz PQGGAUZAKJTREF-LBPRGKRZSA-N 2 0 344.912 2.076 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2scnc2C)C1 ZINC001570015735 1343000048 /nfs/dbraw/zinc/00/00/48/1343000048.db2.gz OUYGNZXKXZBYOW-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001570733768 1343109077 /nfs/dbraw/zinc/10/90/77/1343109077.db2.gz GSMCALKKUGDYNR-CZUORRHYSA-N 2 0 340.899 2.258 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001676423656 1357148846 /nfs/dbraw/zinc/14/88/46/1357148846.db2.gz IUWOOUTTXLCVIY-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)[C@H]1C ZINC001676686561 1357180899 /nfs/dbraw/zinc/18/08/99/1357180899.db2.gz OIVHVGDNGOLWLF-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001676852894 1357220692 /nfs/dbraw/zinc/22/06/92/1357220692.db2.gz FZNODQZELIMVPL-KSZLIROESA-N 2 0 339.499 2.439 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)[NH+](C)C ZINC001677296610 1357309385 /nfs/dbraw/zinc/30/93/85/1357309385.db2.gz AZFYOJHVOBODEP-NWDGAFQWSA-N 2 0 325.419 2.400 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001649315809 1353475193 /nfs/dbraw/zinc/47/51/93/1353475193.db2.gz ZTSNYJLJPUQVTG-FGTMMUONSA-N 2 0 336.524 2.090 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001649452162 1353512420 /nfs/dbraw/zinc/51/24/20/1353512420.db2.gz XLCHIMPOXVIVOO-INIZCTEOSA-N 2 0 332.492 2.249 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001656710808 1354267858 /nfs/dbraw/zinc/26/78/58/1354267858.db2.gz AFLSXQMFCHKXBS-WNRNVDISSA-N 2 0 339.524 2.112 10 0 EEAERP CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ncc(C)s1 ZINC001660528563 1354481551 /nfs/dbraw/zinc/48/15/51/1354481551.db2.gz AFAIYBUUFYBLAS-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001661866705 1354713379 /nfs/dbraw/zinc/71/33/79/1354713379.db2.gz SHQWLANDBHYPNO-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCOc1ccccc1 ZINC001662349908 1354784328 /nfs/dbraw/zinc/78/43/28/1354784328.db2.gz GGULJNHLTUOJFE-MSOLQXFVSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)ccc2c[nH+]cn21 ZINC001662650278 1354820166 /nfs/dbraw/zinc/82/01/66/1354820166.db2.gz OWDODJFUDKORNK-XCVZWFEFSA-N 2 0 332.835 2.447 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001662719036 1354831357 /nfs/dbraw/zinc/83/13/57/1354831357.db2.gz ZXJUDRKKKLQJIM-INIZCTEOSA-N 2 0 335.467 2.148 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001663587875 1354994273 /nfs/dbraw/zinc/99/42/73/1354994273.db2.gz UTJJMFPSFVLDAE-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)cc1 ZINC001664044101 1355080126 /nfs/dbraw/zinc/08/01/26/1355080126.db2.gz NUXGBLIFFGOMHA-UHFFFAOYSA-N 2 0 343.515 2.468 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001664227395 1355116769 /nfs/dbraw/zinc/11/67/69/1355116769.db2.gz QAVYJGDQJPESOC-KRWDZBQOSA-N 2 0 332.492 2.203 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001665023090 1355265764 /nfs/dbraw/zinc/26/57/64/1355265764.db2.gz JDZCWHFRBVRDMW-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001666031613 1355428551 /nfs/dbraw/zinc/42/85/51/1355428551.db2.gz DXFUDAPODQNBNV-IUODEOHRSA-N 2 0 335.414 2.155 10 0 EEAERP O=C(N1CCC(CC[NH2+]CCCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001666218752 1355486597 /nfs/dbraw/zinc/48/65/97/1355486597.db2.gz DEVVDGAGQJXQRA-UHFFFAOYSA-N 2 0 339.499 2.440 10 0 EEAERP Cc1oncc1C[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001666240374 1355492844 /nfs/dbraw/zinc/49/28/44/1355492844.db2.gz LUBDUCMVZHRGAD-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CCCCCF ZINC001667189106 1355668650 /nfs/dbraw/zinc/66/86/50/1355668650.db2.gz JADPJPVDRUIZFJ-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667998410 1355844815 /nfs/dbraw/zinc/84/48/15/1355844815.db2.gz BLLXDWITFYOPOM-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001668059345 1355858513 /nfs/dbraw/zinc/85/85/13/1355858513.db2.gz FDJXLFYAMORMQE-CZUORRHYSA-N 2 0 336.480 2.149 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001668105887 1355872217 /nfs/dbraw/zinc/87/22/17/1355872217.db2.gz JJVKIKZIGCWATJ-SMDDNHRTSA-N 2 0 326.510 2.085 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668112125 1355873019 /nfs/dbraw/zinc/87/30/19/1355873019.db2.gz ATQOXUVDHGNAGD-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](CC[NH2+]Cc1coc(C2CC2)n1)NC(=O)CC1CC[NH+](C)CC1 ZINC001668234752 1355905685 /nfs/dbraw/zinc/90/56/85/1355905685.db2.gz PKAUIQRRBAVGLL-CQSZACIVSA-N 2 0 348.491 2.268 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001668325913 1355924256 /nfs/dbraw/zinc/92/42/56/1355924256.db2.gz MYBNNUFMUURZEO-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)C1CC[NH+](C)CC1 ZINC001668542577 1355959737 /nfs/dbraw/zinc/95/97/37/1355959737.db2.gz RNRAEQRXLBNKCD-UHFFFAOYSA-N 2 0 331.504 2.317 10 0 EEAERP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828499 1356015013 /nfs/dbraw/zinc/01/50/13/1356015013.db2.gz PYBHGBPVTJVDCQ-PHWHVTFISA-N 2 0 327.472 2.099 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1scnc1C ZINC001668854139 1356024218 /nfs/dbraw/zinc/02/42/18/1356024218.db2.gz PDKBYLLRZOJRRY-FOSCPCJNSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883254 1356034006 /nfs/dbraw/zinc/03/40/06/1356034006.db2.gz NUISFNOSMYHBJC-YQHFQFMOSA-N 2 0 342.487 2.169 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001669026573 1356070724 /nfs/dbraw/zinc/07/07/24/1356070724.db2.gz CDLAAQCZKREIPP-KEGWNNHHSA-N 2 0 339.430 2.313 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001669074943 1356084312 /nfs/dbraw/zinc/08/43/12/1356084312.db2.gz HFARBGKOUKLJBS-ARJAWSKDSA-N 2 0 345.487 2.189 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cncc(F)c1 ZINC001669075318 1356085334 /nfs/dbraw/zinc/08/53/34/1356085334.db2.gz OMYYFSBJNHOFMA-SHCNBLLESA-N 2 0 348.466 2.246 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001669137564 1356103418 /nfs/dbraw/zinc/10/34/18/1356103418.db2.gz CVFCXUVGOIFFKF-REUDQUMMSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669292219 1356141271 /nfs/dbraw/zinc/14/12/71/1356141271.db2.gz AIOCATRDBJMQFJ-BXOXOBTFSA-N 2 0 327.472 2.136 10 0 EEAERP Cc1c(C(=O)N[C@H](C)C[NH2+]Cc2cncc(F)c2)ccc2c[nH+]cn21 ZINC001669336525 1356146755 /nfs/dbraw/zinc/14/67/55/1356146755.db2.gz JXBHZKKIZHGLOI-GFCCVEGCSA-N 2 0 341.390 2.085 10 0 EEAERP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001669882921 1356231514 /nfs/dbraw/zinc/23/15/14/1356231514.db2.gz SJBQVLKGWXCZNO-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001670246144 1356303992 /nfs/dbraw/zinc/30/39/92/1356303992.db2.gz PQAXRJNYAUHDPC-MRXNPFEDSA-N 2 0 347.503 2.284 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C[NH2+]CCF ZINC001672299882 1356497456 /nfs/dbraw/zinc/49/74/56/1356497456.db2.gz PMKONXQRMNPAFD-HOTGVXAUSA-N 2 0 327.488 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2conc2C)C1 ZINC001672805577 1356588186 /nfs/dbraw/zinc/58/81/86/1356588186.db2.gz NTALERXPQZVITP-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2C)C1)[NH+](C)C ZINC001672816087 1356590971 /nfs/dbraw/zinc/59/09/71/1356590971.db2.gz MYCDNBPZYGIEKA-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001672965610 1356623344 /nfs/dbraw/zinc/62/33/44/1356623344.db2.gz GYJKLKOMPQOSSV-QAQDUYKDSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001673316886 1356665272 /nfs/dbraw/zinc/66/52/72/1356665272.db2.gz IKPZEXFKTHDLFR-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001673407130 1356687591 /nfs/dbraw/zinc/68/75/91/1356687591.db2.gz OAYDPXPFUFVCKQ-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001673982310 1356767243 /nfs/dbraw/zinc/76/72/43/1356767243.db2.gz SYZWUGKLMPGDKB-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP COCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001674686539 1356875734 /nfs/dbraw/zinc/87/57/34/1356875734.db2.gz GGMYJUANJPIWFX-KBPBESRZSA-N 2 0 332.448 2.166 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C/c1ccccc1 ZINC001698748550 1405042079 /nfs/dbraw/zinc/04/20/79/1405042079.db2.gz NSDNLYDTKFPQJG-IFKDRHBRSA-N 2 0 341.499 2.384 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001698765450 1405050713 /nfs/dbraw/zinc/05/07/13/1405050713.db2.gz MVJWUCYMHRXYIM-QGZVFWFLSA-N 2 0 345.531 2.475 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001699140300 1405290736 /nfs/dbraw/zinc/29/07/36/1405290736.db2.gz HRWXMKONNPZKHZ-MRXNPFEDSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699538502 1405377108 /nfs/dbraw/zinc/37/71/08/1405377108.db2.gz LBIIWSLZBPMJQL-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CN(CCC[NH2+]CCc1ccc(F)c(F)c1)C(=O)C[NH+]1CCCC1 ZINC001699550885 1405387035 /nfs/dbraw/zinc/38/70/35/1405387035.db2.gz NHHXCTMGUAGXCT-UHFFFAOYSA-N 2 0 339.430 2.041 10 0 EEAERP Cc1c(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)ccc2c[nH+]cn21 ZINC001699578584 1405403866 /nfs/dbraw/zinc/40/38/66/1405403866.db2.gz GPYRPLKIKIKSFN-MPUHIQPUSA-N 2 0 332.835 2.493 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001699702207 1405454761 /nfs/dbraw/zinc/45/47/61/1405454761.db2.gz SVGRCTWZVPEJCV-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000920658551 770819952 /nfs/dbraw/zinc/81/99/52/770819952.db2.gz FHDPBXMKGHCRMW-HQSKLWIPSA-N 2 0 336.524 2.373 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(Cl)n1 ZINC000846694581 790417577 /nfs/dbraw/zinc/41/75/77/790417577.db2.gz QUIWZCUHKUKJHF-DFBGVHRSSA-N 2 0 338.883 2.409 10 0 EEAERP OC[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2 ZINC000169789463 790570660 /nfs/dbraw/zinc/57/06/60/790570660.db2.gz JUSFSGIRIXHJOL-AWEZNQCLSA-N 2 0 344.377 2.379 10 0 EEAERP Brc1cnn(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000925839959 779324413 /nfs/dbraw/zinc/32/44/13/779324413.db2.gz TYYOMOVNYCPTNE-OUCADQQQSA-N 2 0 339.281 2.112 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000907907699 784955247 /nfs/dbraw/zinc/95/52/47/784955247.db2.gz SYIGDKCQJKKGHE-UHFFFAOYSA-N 2 0 349.519 2.011 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+]CC2(O)CCCCC2)CC1 ZINC000819121486 785432875 /nfs/dbraw/zinc/43/28/75/785432875.db2.gz LRSOTZGBAQCGJK-UHFFFAOYSA-N 2 0 332.488 2.428 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000923363966 789439652 /nfs/dbraw/zinc/43/96/52/789439652.db2.gz GVEOMEONGNPUMR-SQGPQFPESA-N 2 0 348.487 2.289 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000923363964 789439704 /nfs/dbraw/zinc/43/97/04/789439704.db2.gz GVEOMEONGNPUMR-MBOZVWFJSA-N 2 0 348.487 2.289 10 0 EEAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000923393807 789487542 /nfs/dbraw/zinc/48/75/42/789487542.db2.gz YKWAXJIVJAXBFB-CUDHKJQZSA-N 2 0 348.487 2.096 10 0 EEAERP Clc1ccc(Br)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461461 789595568 /nfs/dbraw/zinc/59/55/68/789595568.db2.gz OFGUVLWVJGXMNF-UHFFFAOYSA-N 2 0 332.673 2.097 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063150564 791805566 /nfs/dbraw/zinc/80/55/66/791805566.db2.gz WJAZGWUQRXUHGT-SFHVURJKSA-N 2 0 346.544 2.209 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914068065 794813171 /nfs/dbraw/zinc/81/31/71/794813171.db2.gz GLCWNSODQAINJG-WBVHZDCISA-N 2 0 335.496 2.104 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000916836897 797912240 /nfs/dbraw/zinc/91/22/40/797912240.db2.gz PNLIUTKEPHLMOE-AEFFLSMTSA-N 2 0 347.507 2.106 10 0 EEAERP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000922158407 799216033 /nfs/dbraw/zinc/21/60/33/799216033.db2.gz IYKXWVWZORGGDW-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP Cn1nc2c(c1C[NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000922244008 800027822 /nfs/dbraw/zinc/02/78/22/800027822.db2.gz QAQHKSIIZPADIH-UHFFFAOYSA-N 2 0 339.487 2.306 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000808454621 812645750 /nfs/dbraw/zinc/64/57/50/812645750.db2.gz RXRYHRJMNZNYTN-HKUYNNGSSA-N 2 0 336.395 2.160 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565943889 1125469761 /nfs/dbraw/zinc/46/97/61/1125469761.db2.gz WJYZBNHXBJGJTG-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001566059604 1125534578 /nfs/dbraw/zinc/53/45/78/1125534578.db2.gz YOACAWANCMZNFD-SFHVURJKSA-N 2 0 339.524 2.209 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCOC)C2)C1 ZINC001566072091 1125545590 /nfs/dbraw/zinc/54/55/90/1125545590.db2.gz QIAUZFQQSTWMPD-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566075592 1125548754 /nfs/dbraw/zinc/54/87/54/1125548754.db2.gz TXHDPALRZLCHLN-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001566486703 1125648285 /nfs/dbraw/zinc/64/82/85/1125648285.db2.gz JQKWNBYSNNMVOR-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001436422078 1087784152 /nfs/dbraw/zinc/78/41/52/1087784152.db2.gz PCQJUNRAYDAXTB-YQVWRLOYSA-N 2 0 344.503 2.106 10 0 EEAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001436496421 1088006938 /nfs/dbraw/zinc/00/69/38/1088006938.db2.gz VOAARCICXHXIHK-SFHVURJKSA-N 2 0 349.523 2.027 10 0 EEAERP COc1ccc(C[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cc1C ZINC001436676146 1088123104 /nfs/dbraw/zinc/12/31/04/1088123104.db2.gz XSGVTEVHOLBHAB-UHFFFAOYSA-N 2 0 347.503 2.378 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C2CC2)o1 ZINC001436823768 1088422408 /nfs/dbraw/zinc/42/24/08/1088422408.db2.gz XUQJUVOXTTZQJI-QZTJIDSGSA-N 2 0 348.491 2.230 10 0 EEAERP CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001436950760 1088637405 /nfs/dbraw/zinc/63/74/05/1088637405.db2.gz GDFPXFGEKYEQQT-HDICACEKSA-N 2 0 329.488 2.470 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1sccc1Cl ZINC001437134015 1089124093 /nfs/dbraw/zinc/12/40/93/1089124093.db2.gz VRUDUTYNFPMQBS-QJPTWQEYSA-N 2 0 329.897 2.336 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1c(F)cccc1Cl ZINC001437264548 1089410335 /nfs/dbraw/zinc/41/03/35/1089410335.db2.gz WNIGOLYBCUUMTR-CYBMUJFWSA-N 2 0 341.858 2.212 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001437307227 1089463039 /nfs/dbraw/zinc/46/30/39/1089463039.db2.gz FNPLJEWOTWLVSZ-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001437339088 1089533016 /nfs/dbraw/zinc/53/30/16/1089533016.db2.gz XCFACJZNXLPCOO-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001437354480 1089576736 /nfs/dbraw/zinc/57/67/36/1089576736.db2.gz UBWNHAIUJBQICT-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001437399732 1089661716 /nfs/dbraw/zinc/66/17/16/1089661716.db2.gz RLIPOXOGLANJCS-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@H+](CCNC(=O)C(C)(C)n1cnc(C)c1)Cc1ncccc1C ZINC001437598926 1090105699 /nfs/dbraw/zinc/10/56/99/1090105699.db2.gz QJZSPIYVMBUILT-UHFFFAOYSA-N 2 0 343.475 2.268 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001437779133 1090360750 /nfs/dbraw/zinc/36/07/50/1090360750.db2.gz QWOHFOSHONZGHW-HIFRSBDPSA-N 2 0 329.435 2.097 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC001437847217 1090430063 /nfs/dbraw/zinc/43/00/63/1090430063.db2.gz ZNEMXYWGAYNIMB-QGZVFWFLSA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CCOCC1 ZINC001438378751 1090861206 /nfs/dbraw/zinc/86/12/06/1090861206.db2.gz RVXDOSYYVGIAQS-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001438440061 1090941940 /nfs/dbraw/zinc/94/19/40/1090941940.db2.gz GERSYPUBRFRPRD-JYJNAYRXSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1ncc(C[NH+]2CCC(CCNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001438455947 1090965133 /nfs/dbraw/zinc/96/51/33/1090965133.db2.gz LXEIMDOCQPBTTL-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001438487169 1090988674 /nfs/dbraw/zinc/98/86/74/1090988674.db2.gz HCZXQKUYFBNGDS-BPQIPLTHSA-N 2 0 349.523 2.036 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1c(F)cccc1F ZINC001438497727 1090994366 /nfs/dbraw/zinc/99/43/66/1090994366.db2.gz LDHVPNBBSGVRDC-ZDUSSCGKSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001438613867 1091103074 /nfs/dbraw/zinc/10/30/74/1091103074.db2.gz QJSWRFJJXIVLFS-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001438686161 1091186052 /nfs/dbraw/zinc/18/60/52/1091186052.db2.gz RFAKPBRHCVGNGI-DOTOQJQBSA-N 2 0 347.503 2.282 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001438687586 1091188370 /nfs/dbraw/zinc/18/83/70/1091188370.db2.gz VPORZGVMWZWBCT-BQFCYCMXSA-N 2 0 347.503 2.362 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC001445559603 1091335448 /nfs/dbraw/zinc/33/54/48/1091335448.db2.gz WZAJNOQBIAXIAY-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP C[N@H+](CCF)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001438765262 1091340433 /nfs/dbraw/zinc/34/04/33/1091340433.db2.gz MUWWNJFNWGMLBS-UHFFFAOYSA-N 2 0 339.499 2.392 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001438773096 1091359876 /nfs/dbraw/zinc/35/98/76/1091359876.db2.gz MXIRFPZQSYEYPV-IPUYDCKKSA-N 2 0 336.307 2.474 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001438818365 1091435846 /nfs/dbraw/zinc/43/58/46/1091435846.db2.gz STODZAOCKLMVRF-YOEHRIQHSA-N 2 0 347.438 2.359 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445762268 1091611531 /nfs/dbraw/zinc/61/15/31/1091611531.db2.gz XIVHBZLOVWUPIR-HNAYVOBHSA-N 2 0 347.478 2.412 10 0 EEAERP C[C@@H](C[N@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)C[NH+]1CCCC1 ZINC001445865753 1091786593 /nfs/dbraw/zinc/78/65/93/1091786593.db2.gz GSFPTXAXXLCRNO-KBXCAEBGSA-N 2 0 333.451 2.345 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001439182198 1091829285 /nfs/dbraw/zinc/82/92/85/1091829285.db2.gz OORKDKXUZVVEPZ-HUUCEWRRSA-N 2 0 331.451 2.392 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439224183 1091869813 /nfs/dbraw/zinc/86/98/13/1091869813.db2.gz PBUHAOGMHVXHLA-FUHWJXTLSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439323642 1092000863 /nfs/dbraw/zinc/00/08/63/1092000863.db2.gz FWNXQTNWFWGJBA-DRKNEXIASA-N 2 0 329.488 2.477 10 0 EEAERP Cc1ccccc1CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001439574970 1092467479 /nfs/dbraw/zinc/46/74/79/1092467479.db2.gz YRIFKQBFFUCTQP-LJQANCHMSA-N 2 0 329.488 2.214 10 0 EEAERP Cc1conc1CN1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001439702021 1092657930 /nfs/dbraw/zinc/65/79/30/1092657930.db2.gz AARYVLKXPOJJLM-IBGZPJMESA-N 2 0 348.491 2.138 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439831988 1092824253 /nfs/dbraw/zinc/82/42/53/1092824253.db2.gz RUQGYZWEOJJNPA-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001439885519 1092937819 /nfs/dbraw/zinc/93/78/19/1092937819.db2.gz MLKLVYKTSDFOAC-JXFKEZNVSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001439914509 1092989064 /nfs/dbraw/zinc/98/90/64/1092989064.db2.gz UBKYKKPZYCQZAY-PKOBYXMFSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001440123948 1093184476 /nfs/dbraw/zinc/18/44/76/1093184476.db2.gz NQRLIDLXVNHIOA-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001440150471 1093210589 /nfs/dbraw/zinc/21/05/89/1093210589.db2.gz OPDZEBPPLPDJTP-YYIAUSFCSA-N 2 0 327.488 2.245 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCc1ccccc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001440267402 1093379061 /nfs/dbraw/zinc/37/90/61/1093379061.db2.gz TYMHHXTUNPSNJN-OALUTQOASA-N 2 0 329.488 2.104 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC1 ZINC001440317847 1093453911 /nfs/dbraw/zinc/45/39/11/1093453911.db2.gz IZZWUYHUXMAGHF-AWEZNQCLSA-N 2 0 345.422 2.258 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001440362922 1093526409 /nfs/dbraw/zinc/52/64/09/1093526409.db2.gz PLHXAGWDMFXUAY-SAABIXHNSA-N 2 0 349.523 2.097 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001440387463 1093559817 /nfs/dbraw/zinc/55/98/17/1093559817.db2.gz HMXIUICFLNPKNP-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001440390495 1093566523 /nfs/dbraw/zinc/56/65/23/1093566523.db2.gz FXKSJKCUMCESHM-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001440476948 1093706146 /nfs/dbraw/zinc/70/61/46/1093706146.db2.gz ZWXWTVXSTBPLOE-QZTJIDSGSA-N 2 0 348.491 2.280 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cnoc2C)C1 ZINC001448713128 1093784179 /nfs/dbraw/zinc/78/41/79/1093784179.db2.gz VQWOVUZAICUVGS-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]([NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1)c1ccccc1 ZINC001440572916 1093843009 /nfs/dbraw/zinc/84/30/09/1093843009.db2.gz IDJXYVWYEAEPPJ-KRWDZBQOSA-N 2 0 347.503 2.344 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001440755267 1093999273 /nfs/dbraw/zinc/99/92/73/1093999273.db2.gz CDLPPJKTTLSINL-AUCFXJAVSA-N 2 0 333.451 2.249 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)C4(C[NH+](C)C)CC4)CCC[C@@H]23)C1 ZINC001449014317 1094015300 /nfs/dbraw/zinc/01/53/00/1094015300.db2.gz ONIIDWPISRHXFE-AEBIURJHSA-N 2 0 333.520 2.488 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@@H]1[N@H+](C[C@@H]1CCOC1)CC2 ZINC001449014897 1094017154 /nfs/dbraw/zinc/01/71/54/1094017154.db2.gz NUSZVUXNFXYGIA-BJLQDIEVSA-N 2 0 349.519 2.012 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCc3cccs3)[C@H]2C1 ZINC001449056818 1094072749 /nfs/dbraw/zinc/07/27/49/1094072749.db2.gz XNFRURADZJMETK-RYQLBKOJSA-N 2 0 349.544 2.459 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1nccs1 ZINC001440889122 1094147397 /nfs/dbraw/zinc/14/73/97/1094147397.db2.gz MUXFEHVATHAMDV-UHFFFAOYSA-N 2 0 326.510 2.058 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001440982442 1094246133 /nfs/dbraw/zinc/24/61/33/1094246133.db2.gz CIGANYNWZSORKS-INIZCTEOSA-N 2 0 348.491 2.280 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440997039 1094266818 /nfs/dbraw/zinc/26/68/18/1094266818.db2.gz HBXYXMOCQAXGPW-JKSUJKDBSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2Cc2cccnc2)C1 ZINC001441124336 1094446235 /nfs/dbraw/zinc/44/62/35/1094446235.db2.gz BKZYJMWZNIBTOM-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001441257869 1094657716 /nfs/dbraw/zinc/65/77/16/1094657716.db2.gz PQAPBPRJYDICTR-APWZRJJASA-N 2 0 345.487 2.021 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](CCOC)c2ccccc2)C1)[NH+](C)C ZINC001441341271 1094838906 /nfs/dbraw/zinc/83/89/06/1094838906.db2.gz KYPIQVSUHRCXSE-IPMKNSEASA-N 2 0 347.503 2.295 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001441490094 1095167051 /nfs/dbraw/zinc/16/70/51/1095167051.db2.gz SEGSVEVWYJZIDO-BHYGNILZSA-N 2 0 345.487 2.477 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(F)c2)CC[N@@H+]1C ZINC001441514027 1095207183 /nfs/dbraw/zinc/20/71/83/1095207183.db2.gz RQLJHBWMJRFTEV-JCGIZDLHSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c(C)n1 ZINC001441534535 1095246099 /nfs/dbraw/zinc/24/60/99/1095246099.db2.gz IKCRVECTKBHWPV-OAHLLOKOSA-N 2 0 332.492 2.119 10 0 EEAERP Cc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001441578315 1095375778 /nfs/dbraw/zinc/37/57/78/1095375778.db2.gz GHBUFWBVSMOCTM-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001441589634 1095416086 /nfs/dbraw/zinc/41/60/86/1095416086.db2.gz QXLVSDJMVOMDTR-CABCVRRESA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001441621999 1095492686 /nfs/dbraw/zinc/49/26/86/1095492686.db2.gz RKTUVXOQVUZMES-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCc4c3cccc4F)C[C@H]21)[NH+](C)C ZINC001441700097 1095683487 /nfs/dbraw/zinc/68/34/87/1095683487.db2.gz ZTMVDXXLHSXHBC-CGHHPOIWSA-N 2 0 345.462 2.200 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccccc1OC1CC1 ZINC001441932860 1096123599 /nfs/dbraw/zinc/12/35/99/1096123599.db2.gz FYZQAUDVGPUXBE-HNNXBMFYSA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001442045508 1096256180 /nfs/dbraw/zinc/25/61/80/1096256180.db2.gz HLQOLQRXDUPZDC-DOTOQJQBSA-N 2 0 333.476 2.020 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC001442196621 1096475732 /nfs/dbraw/zinc/47/57/32/1096475732.db2.gz FJMRLZJKAIASFE-HZPDHXFCSA-N 2 0 336.480 2.232 10 0 EEAERP CN(C)c1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001442217835 1096511350 /nfs/dbraw/zinc/51/13/50/1096511350.db2.gz RIQAYIOLIULMDE-GOSISDBHSA-N 2 0 346.519 2.127 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1)[NH+]1CCCC1 ZINC001442260123 1096562862 /nfs/dbraw/zinc/56/28/62/1096562862.db2.gz PCNCXGKEIJWRQY-ACBHZAAOSA-N 2 0 344.503 2.281 10 0 EEAERP CC(C)Oc1ccccc1CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442576065 1096940487 /nfs/dbraw/zinc/94/04/87/1096940487.db2.gz PYHWZIAGSPJNAO-KRWDZBQOSA-N 2 0 347.503 2.364 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(F)c(F)c1 ZINC001442755262 1097131123 /nfs/dbraw/zinc/13/11/23/1097131123.db2.gz ZIRZPJNOCHNJAE-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001443257450 1097733983 /nfs/dbraw/zinc/73/39/83/1097733983.db2.gz DTNFFBKYUWTUBK-RBUKOAKNSA-N 2 0 329.488 2.357 10 0 EEAERP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001443608440 1098102839 /nfs/dbraw/zinc/10/28/39/1098102839.db2.gz JQBBSISJJOFRFO-MRXNPFEDSA-N 2 0 349.475 2.058 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001443609803 1098105035 /nfs/dbraw/zinc/10/50/35/1098105035.db2.gz CMYSBDUJNKDGOX-KXBFYZLASA-N 2 0 327.472 2.064 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001443980356 1098497245 /nfs/dbraw/zinc/49/72/45/1098497245.db2.gz IJWFGMXVMHTEIF-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(C(C)C)n1 ZINC001444038253 1098557769 /nfs/dbraw/zinc/55/77/69/1098557769.db2.gz OUJMBZMHRRCQKJ-INIZCTEOSA-N 2 0 344.503 2.285 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001444044016 1098567472 /nfs/dbraw/zinc/56/74/72/1098567472.db2.gz RGTHDAOQHFUXDR-QGZVFWFLSA-N 2 0 333.476 2.084 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(OC(C)C)c1 ZINC001444050091 1098574917 /nfs/dbraw/zinc/57/49/17/1098574917.db2.gz ZHHOVVGUIZBDLG-QZTJIDSGSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001479524240 1098590592 /nfs/dbraw/zinc/59/05/92/1098590592.db2.gz PEFDTSKBSAQCCF-WMZOPIPTSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001444145956 1098684852 /nfs/dbraw/zinc/68/48/52/1098684852.db2.gz ZPKCLCVEMQAVGI-HXUWFJFHSA-N 2 0 329.488 2.465 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)[C@@H]1C)[NH+](CC)CC ZINC001479717401 1098802639 /nfs/dbraw/zinc/80/26/39/1098802639.db2.gz HOTWIRQMRBANJJ-NJAFHUGGSA-N 2 0 332.492 2.281 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001444451791 1099096971 /nfs/dbraw/zinc/09/69/71/1099096971.db2.gz QPOMXXQZHMGXHK-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001444451778 1099097156 /nfs/dbraw/zinc/09/71/56/1099097156.db2.gz QPOMXXQZHMGXHK-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)c1cccc2nccn21)CC[C@@H]1CCOC1 ZINC001479848656 1099144182 /nfs/dbraw/zinc/14/41/82/1099144182.db2.gz CGADJRJRVSKSAI-MRXNPFEDSA-N 2 0 344.459 2.203 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CCCC2)cn1 ZINC001444537369 1099312306 /nfs/dbraw/zinc/31/23/06/1099312306.db2.gz QEYCAUOXPDEOKL-INIZCTEOSA-N 2 0 347.507 2.205 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nccs1 ZINC001444632373 1099458917 /nfs/dbraw/zinc/45/89/17/1099458917.db2.gz FIJFJSFRIDWHEX-HUUCEWRRSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444674062 1099517608 /nfs/dbraw/zinc/51/76/08/1099517608.db2.gz MVOXZYGLKXLBRA-ZOBUZTSGSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444765492 1099660114 /nfs/dbraw/zinc/66/01/14/1099660114.db2.gz YKSFGGSKSBQBNP-LPHOPBHVSA-N 2 0 346.519 2.352 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001480112520 1099679371 /nfs/dbraw/zinc/67/93/71/1099679371.db2.gz RLDGYERIEFVZDE-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cncs2)[C@H](C)C1 ZINC001444797981 1099715731 /nfs/dbraw/zinc/71/57/31/1099715731.db2.gz XKAAOUNWPPQIAG-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccnc2)C(C)C)C1 ZINC001444890430 1099928832 /nfs/dbraw/zinc/92/88/32/1099928832.db2.gz JFFLEPFKGLFBCX-RTBURBONSA-N 2 0 346.519 2.434 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001480266897 1099959703 /nfs/dbraw/zinc/95/97/03/1099959703.db2.gz AUAYYFLOXKSWKE-ZWKOTPCHSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCOCC1 ZINC001480329892 1100084486 /nfs/dbraw/zinc/08/44/86/1100084486.db2.gz DLSZLTHQUMKCRF-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001480537885 1100368240 /nfs/dbraw/zinc/36/82/40/1100368240.db2.gz RAPGBWAJEMBHAW-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCc2c1cccc2F ZINC001480574081 1100417905 /nfs/dbraw/zinc/41/79/05/1100417905.db2.gz LNRGHEDMCQMDGH-DYVFJYSZSA-N 2 0 331.435 2.003 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1Cl ZINC001495109204 1100764291 /nfs/dbraw/zinc/76/42/91/1100764291.db2.gz SSWYQXDFQUQVMH-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001495382013 1101101995 /nfs/dbraw/zinc/10/19/95/1101101995.db2.gz WRCPQYIJVKKSEA-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001496512573 1101112194 /nfs/dbraw/zinc/11/21/94/1101112194.db2.gz NFEAMJKWBNAOCZ-QGZVFWFLSA-N 2 0 339.499 2.391 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001495398746 1101120226 /nfs/dbraw/zinc/12/02/26/1101120226.db2.gz YJACZXXHWSXQPS-SJLPKXTDSA-N 2 0 347.478 2.496 10 0 EEAERP CCOCC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001496573177 1101173140 /nfs/dbraw/zinc/17/31/40/1101173140.db2.gz AWBUOBHIAVOLEB-KRWDZBQOSA-N 2 0 332.448 2.023 10 0 EEAERP Cc1cccnc1C[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001446658788 1101181171 /nfs/dbraw/zinc/18/11/71/1101181171.db2.gz HVBNOHPUEDGMNA-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001446723492 1101293025 /nfs/dbraw/zinc/29/30/25/1101293025.db2.gz GRUNSZTZBZFBJR-KBPBESRZSA-N 2 0 342.434 2.082 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001495665065 1101406490 /nfs/dbraw/zinc/40/64/90/1101406490.db2.gz JWJZIKUQZGZIPS-JXFKEZNVSA-N 2 0 343.515 2.487 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1nc2ccccc2o1 ZINC001495682541 1101430749 /nfs/dbraw/zinc/43/07/49/1101430749.db2.gz FJPWLEKVPHWFGO-CQSZACIVSA-N 2 0 344.459 2.154 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC=C(Cl)Cl)C1 ZINC001496862270 1101628222 /nfs/dbraw/zinc/62/82/22/1101628222.db2.gz ISRBGCUIPHYRTH-STQMWFEESA-N 2 0 334.291 2.180 10 0 EEAERP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001446948673 1101641918 /nfs/dbraw/zinc/64/19/18/1101641918.db2.gz YJDZRPUZOAFXPS-VKGGURKZSA-N 2 0 327.900 2.440 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCF ZINC001447032807 1101789646 /nfs/dbraw/zinc/78/96/46/1101789646.db2.gz BJQZDILEOIAQTM-IRXDYDNUSA-N 2 0 325.472 2.287 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001447166314 1102119727 /nfs/dbraw/zinc/11/97/27/1102119727.db2.gz PANGGPDSCFMQCC-MSOLQXFVSA-N 2 0 349.519 2.105 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccns3)CCC2)CC[N@@H+]1C ZINC001447197876 1102185188 /nfs/dbraw/zinc/18/51/88/1102185188.db2.gz KNABFNUMWGQYGM-LSDHHAIUSA-N 2 0 336.505 2.002 10 0 EEAERP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497456214 1102518632 /nfs/dbraw/zinc/51/86/32/1102518632.db2.gz WLYXIULCRATNOZ-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497465069 1102533630 /nfs/dbraw/zinc/53/36/30/1102533630.db2.gz UHRCOTCEMHVTTN-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001447371070 1102545290 /nfs/dbraw/zinc/54/52/90/1102545290.db2.gz OGQGKBCFSGYBKF-PKOBYXMFSA-N 2 0 346.519 2.482 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001497661264 1102848300 /nfs/dbraw/zinc/84/83/00/1102848300.db2.gz OFISLQSZFUIYEQ-QWNKOJSDSA-N 2 0 327.472 2.278 10 0 EEAERP Cc1nc(CNC/C=C\CNC(=O)C[C@@H](C)n2ccnc2)sc1C ZINC001497694750 1102918209 /nfs/dbraw/zinc/91/82/09/1102918209.db2.gz WEFMXZDKWGWVRR-DSYXLKISSA-N 2 0 347.488 2.370 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001497750209 1103022295 /nfs/dbraw/zinc/02/22/95/1103022295.db2.gz RFPDZHBEAVCODS-PYLYLYNFSA-N 2 0 339.842 2.193 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnccc1C ZINC001497761901 1103049998 /nfs/dbraw/zinc/04/99/98/1103049998.db2.gz CNATUCSAUXDTIF-XFHJGTJQSA-N 2 0 330.476 2.026 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)noc1CC ZINC001497825866 1103155755 /nfs/dbraw/zinc/15/57/55/1103155755.db2.gz YZPQARFRRZHSDD-CZUORRHYSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1N(C)C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497831219 1103162163 /nfs/dbraw/zinc/16/21/63/1103162163.db2.gz HGBVYEULEYIFTF-AEFFLSMTSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497852616 1103195879 /nfs/dbraw/zinc/19/58/79/1103195879.db2.gz JEGCWCTUCHSTMY-CQSZACIVSA-N 2 0 329.448 2.411 10 0 EEAERP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001447765779 1103263039 /nfs/dbraw/zinc/26/30/39/1103263039.db2.gz DTCZDYBLJWHWJP-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c(C)n1 ZINC001447769264 1103273406 /nfs/dbraw/zinc/27/34/06/1103273406.db2.gz MWHWFDPITQLWIZ-IBGZPJMESA-N 2 0 346.519 2.461 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001447860540 1103464187 /nfs/dbraw/zinc/46/41/87/1103464187.db2.gz BAKMHDPOIIODER-QWHCGFSZSA-N 2 0 334.464 2.019 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001447933301 1103632845 /nfs/dbraw/zinc/63/28/45/1103632845.db2.gz NRKJJDUYLFDILK-QWHCGFSZSA-N 2 0 327.419 2.288 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001447937246 1103643870 /nfs/dbraw/zinc/64/38/70/1103643870.db2.gz NAMNRPGLTOTFNM-CHWSQXEVSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1cnc([C@H](C)[NH+](C)C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001494178823 1103652493 /nfs/dbraw/zinc/65/24/93/1103652493.db2.gz NHUYFIISXNZMQV-JKSUJKDBSA-N 2 0 336.480 2.165 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC1CC(F)(F)C1 ZINC001448056638 1103910562 /nfs/dbraw/zinc/91/05/62/1103910562.db2.gz CWMGJEWTTCIUQG-AWEZNQCLSA-N 2 0 343.462 2.344 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480597816 1106736865 /nfs/dbraw/zinc/73/68/65/1106736865.db2.gz VABREEYLBHKOSJ-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP COc1cccc(Cl)c1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498024100 1106793433 /nfs/dbraw/zinc/79/34/33/1106793433.db2.gz YRLUHMDDBJGGHE-SWLSCSKDSA-N 2 0 339.867 2.037 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001480652927 1106822523 /nfs/dbraw/zinc/82/25/23/1106822523.db2.gz KJQUTXDSISZOAF-YOSLTCIPSA-N 2 0 327.900 2.297 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001480655138 1106827870 /nfs/dbraw/zinc/82/78/70/1106827870.db2.gz YICNOIJOXYRJLZ-ZMCCTTKHSA-N 2 0 334.291 2.228 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480709730 1106932684 /nfs/dbraw/zinc/93/26/84/1106932684.db2.gz MLYDIOIHEQKELC-IAGOWNOFSA-N 2 0 336.455 2.078 10 0 EEAERP CC[C@@H](C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001480716804 1106953358 /nfs/dbraw/zinc/95/33/58/1106953358.db2.gz MZXYQSBVHFFBGK-VQIMIIECSA-N 2 0 331.504 2.433 10 0 EEAERP CCn1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)n1 ZINC001498198570 1107070235 /nfs/dbraw/zinc/07/02/35/1107070235.db2.gz NGYAIMSKJSGRFU-FUHWJXTLSA-N 2 0 349.523 2.008 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001498314397 1107274996 /nfs/dbraw/zinc/27/49/96/1107274996.db2.gz RXXNFPSXBBHUIO-UONOGXRCSA-N 2 0 331.451 2.343 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC001493044315 1107380326 /nfs/dbraw/zinc/38/03/26/1107380326.db2.gz ZTINSTFHWBRRTG-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001493043705 1107380856 /nfs/dbraw/zinc/38/08/56/1107380856.db2.gz QYRWXPYONUXSKZ-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001493138918 1107578552 /nfs/dbraw/zinc/57/85/52/1107578552.db2.gz YHBPOEISUBKVEW-HKUYNNGSSA-N 2 0 329.488 2.417 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCc1ccsc1)C1CC1 ZINC001498735485 1107996669 /nfs/dbraw/zinc/99/66/69/1107996669.db2.gz FUNFXROEECHRQH-DLBZAZTESA-N 2 0 335.517 2.259 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1 ZINC001498759499 1108045645 /nfs/dbraw/zinc/04/56/45/1108045645.db2.gz LXERWESVOMLTHG-NIKGAXFTSA-N 2 0 345.487 2.020 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001498781185 1108089242 /nfs/dbraw/zinc/08/92/42/1108089242.db2.gz LUQROJSEFVUQIU-RBUKOAKNSA-N 2 0 329.488 2.198 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC001498897593 1108293784 /nfs/dbraw/zinc/29/37/84/1108293784.db2.gz HCWZEJMGAJCXCZ-IEBWSBKVSA-N 2 0 347.503 2.234 10 0 EEAERP CCc1nocc1C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001493720676 1108565216 /nfs/dbraw/zinc/56/52/16/1108565216.db2.gz ORVKRPJIIBTJOB-OAHLLOKOSA-N 2 0 336.480 2.050 10 0 EEAERP C[C@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001493835884 1108718226 /nfs/dbraw/zinc/71/82/26/1108718226.db2.gz GIQNHOFBQHQBAV-MLVZXCIBSA-N 2 0 327.900 2.297 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCOC1 ZINC001493864318 1108756776 /nfs/dbraw/zinc/75/67/76/1108756776.db2.gz KQPPNPTYPBWLTE-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001472114767 1110543706 /nfs/dbraw/zinc/54/37/06/1110543706.db2.gz GEDZTGOVROORJD-HKUYNNGSSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001479414290 1110693616 /nfs/dbraw/zinc/69/36/16/1110693616.db2.gz IZHNYFDVPOAHHC-VAMGGRTRSA-N 2 0 343.515 2.364 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccc4c(c3)CCC4)CC2)C1 ZINC001499422776 1112279464 /nfs/dbraw/zinc/27/94/64/1112279464.db2.gz YGJGVXLEBZIZBG-KRWDZBQOSA-N 2 0 341.499 2.256 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCCF)C1 ZINC001499482688 1112314854 /nfs/dbraw/zinc/31/48/54/1112314854.db2.gz XFEAYAWFZSJLRJ-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@H](C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001501600716 1113395750 /nfs/dbraw/zinc/39/57/50/1113395750.db2.gz OHNRPMYSGNHUMU-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001501613140 1113399586 /nfs/dbraw/zinc/39/95/86/1113399586.db2.gz ZAVYSCCUDAVDRH-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001501651235 1113416028 /nfs/dbraw/zinc/41/60/28/1113416028.db2.gz MPUHNXOZRBUBAV-NJEVBOHQSA-N 2 0 327.900 2.442 10 0 EEAERP C[N@H+](CCCF)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001501665718 1113423304 /nfs/dbraw/zinc/42/33/04/1113423304.db2.gz OCBVTRGBMRNVEZ-UHFFFAOYSA-N 2 0 335.467 2.436 10 0 EEAERP CC(C)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CCO)cc1)[NH+]1CCCC1 ZINC001501681810 1113432716 /nfs/dbraw/zinc/43/27/16/1113432716.db2.gz RCJHAAYFTZQQSB-APWZRJJASA-N 2 0 347.503 2.066 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502052815 1113571036 /nfs/dbraw/zinc/57/10/36/1113571036.db2.gz DBPMSUILDLJMAL-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001502135402 1113609405 /nfs/dbraw/zinc/60/94/05/1113609405.db2.gz JRLQAAHYGPXAPQ-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001502834008 1113826040 /nfs/dbraw/zinc/82/60/40/1113826040.db2.gz DFYFUXPFVWTQGA-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCc1ccccc1F)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001505423676 1113958351 /nfs/dbraw/zinc/95/83/51/1113958351.db2.gz AISKOUOKPIXEFJ-HKUYNNGSSA-N 2 0 347.478 2.385 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505436778 1113970687 /nfs/dbraw/zinc/97/06/87/1113970687.db2.gz DXHDXZVRMAWWCE-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C[NH2+]CC2CC(NC(=O)CCC[NH+]3CCCCC3)C2)no1 ZINC001505536157 1114038584 /nfs/dbraw/zinc/03/85/84/1114038584.db2.gz OLHHMRRRMYWHHD-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)C1(C[NH+](C)C)CC1 ZINC001505829654 1114219441 /nfs/dbraw/zinc/21/94/41/1114219441.db2.gz OIGRGGDTXNLXBG-UHFFFAOYSA-N 2 0 338.521 2.059 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CN(Cc2csc(C)n2)CC1(C)C ZINC001506749714 1114863618 /nfs/dbraw/zinc/86/36/18/1114863618.db2.gz IBCVHRBMFFTLNP-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001506899553 1114959079 /nfs/dbraw/zinc/95/90/79/1114959079.db2.gz XKTVTWSBRULFOQ-QBPKDAKJSA-N 2 0 327.488 2.482 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001507088193 1115101905 /nfs/dbraw/zinc/10/19/05/1115101905.db2.gz ZXSWRGFIVIOOKQ-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001507092329 1115103760 /nfs/dbraw/zinc/10/37/60/1115103760.db2.gz IMGSYIHORNQGGT-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001507163286 1115142218 /nfs/dbraw/zinc/14/22/18/1115142218.db2.gz UGPQDSBUIJPIPB-AWEZNQCLSA-N 2 0 338.496 2.383 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001507295629 1115178746 /nfs/dbraw/zinc/17/87/46/1115178746.db2.gz DEGAVRIZSUBSDQ-MSOLQXFVSA-N 2 0 347.503 2.293 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507318093 1115189417 /nfs/dbraw/zinc/18/94/17/1115189417.db2.gz HVAAPJFQCGEQGX-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507359230 1115220626 /nfs/dbraw/zinc/22/06/26/1115220626.db2.gz YHPABXPGIVSGQN-SCTDSRPQSA-N 2 0 337.508 2.011 10 0 EEAERP COCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001507441581 1115270877 /nfs/dbraw/zinc/27/08/77/1115270877.db2.gz DXWVQZCTNJPKKS-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC001507450755 1115276471 /nfs/dbraw/zinc/27/64/71/1115276471.db2.gz WJZYAJLFUNXLRA-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCOC1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001507807699 1115350123 /nfs/dbraw/zinc/35/01/23/1115350123.db2.gz BAINQASYYVWYNN-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001508220711 1115449596 /nfs/dbraw/zinc/44/95/96/1115449596.db2.gz VTUQPOXXBNMXMC-HKUYNNGSSA-N 2 0 349.519 2.036 10 0 EEAERP CC[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001545571142 1124196465 /nfs/dbraw/zinc/19/64/65/1124196465.db2.gz BHQIAYDTHIKXRI-BBWFWOEESA-N 2 0 348.539 2.416 10 0 EEAERP O=C(N[C@H](C[NH2+]CCF)C1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001568343578 1124428589 /nfs/dbraw/zinc/42/85/89/1124428589.db2.gz LSZZIWSKINCQFH-QGZVFWFLSA-N 2 0 339.499 2.487 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001568633033 1124647191 /nfs/dbraw/zinc/64/71/91/1124647191.db2.gz WDNLPYVAVSSGKE-YXJHDRRASA-N 2 0 332.492 2.023 10 0 EEAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568677784 1124689352 /nfs/dbraw/zinc/68/93/52/1124689352.db2.gz GQZGSGOLHQRMAZ-GFCCVEGCSA-N 2 0 325.419 2.401 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cscn1 ZINC001568684862 1124695511 /nfs/dbraw/zinc/69/55/11/1124695511.db2.gz LTLRFBCYNNIVID-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001568743631 1124758393 /nfs/dbraw/zinc/75/83/93/1124758393.db2.gz NRCWWMJDNLMNBA-RBUKOAKNSA-N 2 0 347.503 2.364 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001568751855 1124766029 /nfs/dbraw/zinc/76/60/29/1124766029.db2.gz VMIIAVJDOADCJZ-OAHLLOKOSA-N 2 0 326.872 2.013 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791481 1124803693 /nfs/dbraw/zinc/80/36/93/1124803693.db2.gz KRVVCXHGGIPGAS-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001568799811 1124814279 /nfs/dbraw/zinc/81/42/79/1124814279.db2.gz RGGLNSTZQRPGNE-KBPBESRZSA-N 2 0 336.480 2.102 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]C/C=C\c1ccccc1 ZINC001568902739 1124929945 /nfs/dbraw/zinc/92/99/45/1124929945.db2.gz OKXUESJLKHYIIH-KUBUJDIBSA-N 2 0 327.472 2.446 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001568997653 1125028790 /nfs/dbraw/zinc/02/87/90/1125028790.db2.gz WFOWXYNRTWATEN-CYBMUJFWSA-N 2 0 339.430 2.086 10 0 EEAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416175299 529808714 /nfs/dbraw/zinc/80/87/14/529808714.db2.gz HRUGATZWFQNHRJ-UXHICEINSA-N 2 0 341.499 2.378 10 0 EEAERP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074650 240353046 /nfs/dbraw/zinc/35/30/46/240353046.db2.gz MLWLYZUXKZBVQK-AEFFLSMTSA-N 2 0 340.471 2.436 10 0 EEAERP C[NH+](C)C1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000422009361 240096306 /nfs/dbraw/zinc/09/63/06/240096306.db2.gz RDXHOUZGAFPFJZ-UHFFFAOYSA-N 2 0 329.488 2.424 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cn1 ZINC000422784012 240224457 /nfs/dbraw/zinc/22/44/57/240224457.db2.gz PCGGXVOLMVEHKM-JCHJZTRSSA-N 2 0 331.508 2.289 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)CC[NH2+]CC1 ZINC000422806328 240236623 /nfs/dbraw/zinc/23/66/23/240236623.db2.gz IACKMDBIVWGVOA-CQSZACIVSA-N 2 0 344.459 2.282 10 0 EEAERP COC[C@@H](CCC[NH3+])Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423024952 240331671 /nfs/dbraw/zinc/33/16/71/240331671.db2.gz KKFHGFJOUSOYEF-GOSISDBHSA-N 2 0 334.508 2.383 10 0 EEAERP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423508339 240508666 /nfs/dbraw/zinc/50/86/66/240508666.db2.gz QOOVSPWUIXFZHX-KSSFIOAISA-N 2 0 347.484 2.465 10 0 EEAERP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000425370353 241139984 /nfs/dbraw/zinc/13/99/84/241139984.db2.gz NYONCKPEFAJHIQ-ROUUACIJSA-N 2 0 347.528 2.368 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751577 242218995 /nfs/dbraw/zinc/21/89/95/242218995.db2.gz LJPHJYNUOCEGBE-LPHOPBHVSA-N 2 0 343.475 2.350 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000268737525 252187725 /nfs/dbraw/zinc/18/77/25/252187725.db2.gz OOVYKEFQJNALJF-TZIWHRDSSA-N 2 0 344.547 2.124 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119559739 292246250 /nfs/dbraw/zinc/24/62/50/292246250.db2.gz LYZOXNHLMUPTIE-HNNXBMFYSA-N 2 0 326.529 2.384 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)CC(C)C ZINC000173687876 152189851 /nfs/dbraw/zinc/18/98/51/152189851.db2.gz FEBRRDBWRGAGHN-ROUUACIJSA-N 2 0 336.524 2.399 10 0 EEAERP C[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262705557 152309363 /nfs/dbraw/zinc/30/93/63/152309363.db2.gz BLGYPKQIXOMAQQ-HLIPFELVSA-N 2 0 343.515 2.444 10 0 EEAERP CN(c1ccccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000248968256 160369809 /nfs/dbraw/zinc/36/98/09/160369809.db2.gz CCQQVVUGPXWWQM-VQIMIIECSA-N 2 0 331.504 2.468 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000152411248 159659856 /nfs/dbraw/zinc/65/98/56/159659856.db2.gz XOISBUTYVBLNHP-KZNAEPCWSA-N 2 0 336.524 2.233 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174294277 159801937 /nfs/dbraw/zinc/80/19/37/159801937.db2.gz WKPKMYYEZXAIBU-GOSISDBHSA-N 2 0 336.524 2.236 10 0 EEAERP [NH3+]CCCCCCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189026852 160134805 /nfs/dbraw/zinc/13/48/05/160134805.db2.gz MYGGQWWDPPXHEQ-YOEHRIQHSA-N 2 0 339.430 2.436 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246540909 160283282 /nfs/dbraw/zinc/28/32/82/160283282.db2.gz XKIVLDYRIVILNS-KSZLIROESA-N 2 0 336.524 2.234 10 0 EEAERP CC(C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000341846773 161018064 /nfs/dbraw/zinc/01/80/64/161018064.db2.gz LXFGUESKVQXBJF-UHFFFAOYSA-N 2 0 333.451 2.393 10 0 EEAERP C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000343426125 161134893 /nfs/dbraw/zinc/13/48/93/161134893.db2.gz CXGWWXOTLMYDEI-KRWDZBQOSA-N 2 0 329.488 2.300 10 0 EEAERP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC(=O)N1Cc1ccccc1 ZINC000343510192 161142528 /nfs/dbraw/zinc/14/25/28/161142528.db2.gz KNDMGKNOVHTZNX-XGXHKWSGSA-N 2 0 327.472 2.392 10 0 EEAERP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc(C)c1O ZINC000359090717 164055600 /nfs/dbraw/zinc/05/56/00/164055600.db2.gz DOLPYGVRVYSDSP-UHFFFAOYSA-N 2 0 340.471 2.446 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCc1nccn1C ZINC000370005163 166374698 /nfs/dbraw/zinc/37/46/98/166374698.db2.gz FACXFHPUFXKAEQ-MRXNPFEDSA-N 2 0 341.459 2.226 10 0 EEAERP Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272762007 269016176 /nfs/dbraw/zinc/01/61/76/269016176.db2.gz GAPAZHOLOQRQGV-YOEHRIQHSA-N 2 0 331.464 2.016 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000352491186 289101096 /nfs/dbraw/zinc/10/10/96/289101096.db2.gz OIVPPZNBHMJFRN-UHFFFAOYSA-N 2 0 336.524 2.377 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791520 293098001 /nfs/dbraw/zinc/09/80/01/293098001.db2.gz YPVFKTYFLWFJPK-ZFWWWQNUSA-N 2 0 339.867 2.179 10 0 EEAERP O[C@H]1[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC12CCOCC2 ZINC000298150402 294432149 /nfs/dbraw/zinc/43/21/49/294432149.db2.gz ROWIGLTVDGMHRM-LPHOPBHVSA-N 2 0 345.487 2.208 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000414296898 312993560 /nfs/dbraw/zinc/99/35/60/312993560.db2.gz FSHYEZOIYKPKBA-MJGOQNOKSA-N 2 0 332.488 2.418 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)Cc1ccccc1 ZINC000417010020 313393269 /nfs/dbraw/zinc/39/32/69/313393269.db2.gz OHZAOCILXYVIFW-SZMVWBNQSA-N 2 0 332.492 2.071 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417016363 313396274 /nfs/dbraw/zinc/39/62/74/313396274.db2.gz GASSBDOMHNYCSR-RTBURBONSA-N 2 0 342.487 2.359 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000417386460 313500386 /nfs/dbraw/zinc/50/03/86/313500386.db2.gz FUISZTRWYUYCJH-GOSISDBHSA-N 2 0 336.524 2.140 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000417752472 313585907 /nfs/dbraw/zinc/58/59/07/313585907.db2.gz QXHMRFDYASEMRU-SFHVURJKSA-N 2 0 336.524 2.140 10 0 EEAERP CC(C)(CNC(=O)N(CC[NH3+])CCc1ccccc1)C[NH+]1CCCC1 ZINC000418063217 313703400 /nfs/dbraw/zinc/70/34/00/313703400.db2.gz HKBTZWMKGSEXJQ-UHFFFAOYSA-N 2 0 346.519 2.321 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000418449853 313817207 /nfs/dbraw/zinc/81/72/07/313817207.db2.gz KXNBPOTXTHEUCE-ZWKOTPCHSA-N 2 0 326.444 2.466 10 0 EEAERP Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1=O ZINC000527692265 317245809 /nfs/dbraw/zinc/24/58/09/317245809.db2.gz RJSJMOVDJRNSFX-MRXNPFEDSA-N 2 0 337.427 2.182 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015831 317303401 /nfs/dbraw/zinc/30/34/01/317303401.db2.gz ZEJSAOOEMXPWLU-BBRMVZONSA-N 2 0 337.489 2.002 10 0 EEAERP CN(CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cc[nH+]cc1 ZINC000541856913 318112362 /nfs/dbraw/zinc/11/23/62/318112362.db2.gz FVAPRQCHCWYBDP-UHFFFAOYSA-N 2 0 330.476 2.385 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771825 319212493 /nfs/dbraw/zinc/21/24/93/319212493.db2.gz HWHLJTWEKPCIRX-IZIZEDOESA-N 2 0 345.487 2.225 10 0 EEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)COC1CCC([NH3+])CC1 ZINC000567469050 319382549 /nfs/dbraw/zinc/38/25/49/319382549.db2.gz NORGHJRGTSSKSZ-UHFFFAOYSA-N 2 0 327.513 2.099 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NCCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000572036166 319809896 /nfs/dbraw/zinc/80/98/96/319809896.db2.gz IPIMMYQTFCWPSW-GOSISDBHSA-N 2 0 344.503 2.091 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000575236181 320098142 /nfs/dbraw/zinc/09/81/42/320098142.db2.gz KIROHPVNSPRFKS-RTBURBONSA-N 2 0 338.455 2.376 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[NH+](C)C3)CC[N@@H+]2C2CC2)c1 ZINC000576416544 320170122 /nfs/dbraw/zinc/17/01/22/320170122.db2.gz CGGIRWFMIZZDSZ-KFKAGJAMSA-N 2 0 343.471 2.041 10 0 EEAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192685964 323481463 /nfs/dbraw/zinc/48/14/63/323481463.db2.gz OJIKNPNHZUWQQO-AWEZNQCLSA-N 2 0 337.489 2.046 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000581250029 324215020 /nfs/dbraw/zinc/21/50/20/324215020.db2.gz XPWGRVOQYXVHMN-VQIMIIECSA-N 2 0 344.503 2.375 10 0 EEAERP CC(C)CN(C(=O)c1ccc(C[NH+](C)C)nc1)C1CC[NH+](C)CC1 ZINC000339276190 465182977 /nfs/dbraw/zinc/18/29/77/465182977.db2.gz OMRXRWDIHRFYAO-UHFFFAOYSA-N 2 0 332.492 2.336 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579211083 468325693 /nfs/dbraw/zinc/32/56/93/468325693.db2.gz JRGALALPFABCFG-SFNKJDCFSA-N 2 0 336.524 2.138 10 0 EEAERP Cc1nc2cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2o1 ZINC000120301620 462983765 /nfs/dbraw/zinc/98/37/65/462983765.db2.gz UIOGOWXAIBLXID-UHFFFAOYSA-N 2 0 333.436 2.093 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000156697271 463057972 /nfs/dbraw/zinc/05/79/72/463057972.db2.gz DXHSCWZUVLJBGJ-APWZRJJASA-N 2 0 344.503 2.073 10 0 EEAERP COc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+][C@@H]2CCSC2)cc1 ZINC000095967582 463118661 /nfs/dbraw/zinc/11/86/61/463118661.db2.gz RGDBTGIOCDKHRJ-SJLPKXTDSA-N 2 0 335.517 2.079 10 0 EEAERP COc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+][C@H]2CCSC2)cc1 ZINC000095967583 463119104 /nfs/dbraw/zinc/11/91/04/463119104.db2.gz RGDBTGIOCDKHRJ-WMZOPIPTSA-N 2 0 335.517 2.079 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000054510774 463239431 /nfs/dbraw/zinc/23/94/31/463239431.db2.gz QTLNPDIXHDIIRL-OALUTQOASA-N 2 0 346.519 2.190 10 0 EEAERP C[C@@]1(CNC(=O)NC2(C)CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000568491273 468345854 /nfs/dbraw/zinc/34/58/54/468345854.db2.gz SWNOFRJIAPAABI-FQEVSTJZSA-N 2 0 344.503 2.482 10 0 EEAERP C[C@H](CCn1cccn1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000158884416 463257117 /nfs/dbraw/zinc/25/71/17/463257117.db2.gz HCCIUVCVYCMKEM-GOSISDBHSA-N 2 0 333.524 2.202 10 0 EEAERP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000071921056 463474869 /nfs/dbraw/zinc/47/48/69/463474869.db2.gz LANGEQYHGIRZFN-BBRMVZONSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875969 463484288 /nfs/dbraw/zinc/48/42/88/463484288.db2.gz SEZUMTDMTQPWMJ-HZPDHXFCSA-N 2 0 332.492 2.464 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107834863 463584838 /nfs/dbraw/zinc/58/48/38/463584838.db2.gz RCRWFYCUMHFQHH-WMZOPIPTSA-N 2 0 334.508 2.131 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000109754933 463647645 /nfs/dbraw/zinc/64/76/45/463647645.db2.gz NYXHXWHYWBNBHE-OAHLLOKOSA-N 2 0 337.430 2.057 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000170834941 463718771 /nfs/dbraw/zinc/71/87/71/463718771.db2.gz VQPJVABOAVDAQD-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP Cc1ccc(NCCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)nc1 ZINC000193850811 463749133 /nfs/dbraw/zinc/74/91/33/463749133.db2.gz MNCBZMFPXDQRIG-INIZCTEOSA-N 2 0 335.496 2.468 10 0 EEAERP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3cncnc3)CC2)cc1 ZINC000171129516 463793215 /nfs/dbraw/zinc/79/32/15/463793215.db2.gz STHLOGYAPQLMJM-UHFFFAOYSA-N 2 0 339.487 2.164 10 0 EEAERP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592852 468382211 /nfs/dbraw/zinc/38/22/11/468382211.db2.gz JMLMBRNWNORXSN-CQSZACIVSA-N 2 0 332.473 2.121 10 0 EEAERP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261958424 463910631 /nfs/dbraw/zinc/91/06/31/463910631.db2.gz PFYSGJHOMAUNQJ-AQNXPRMDSA-N 2 0 340.471 2.178 10 0 EEAERP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262674818 464038299 /nfs/dbraw/zinc/03/82/99/464038299.db2.gz RBEXDLOGZXIBOC-KURKYZTESA-N 2 0 349.519 2.058 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246232816 464561450 /nfs/dbraw/zinc/56/14/50/464561450.db2.gz CLVJHNKTMWZTDT-RYRKJORJSA-N 2 0 336.524 2.375 10 0 EEAERP CN(Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000275758373 464788098 /nfs/dbraw/zinc/78/80/98/464788098.db2.gz QPHWPEAJGXIXAD-HNNXBMFYSA-N 2 0 331.489 2.363 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276343275 464897451 /nfs/dbraw/zinc/89/74/51/464897451.db2.gz SIZKGIHVJFJDME-KRWDZBQOSA-N 2 0 346.519 2.464 10 0 EEAERP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCCC1 ZINC000356710626 465500635 /nfs/dbraw/zinc/50/06/35/465500635.db2.gz SZOSVNFZGFVUSG-INIZCTEOSA-N 2 0 326.529 2.480 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000192785782 464998147 /nfs/dbraw/zinc/99/81/47/464998147.db2.gz DIMODGOIMNAZBQ-INIZCTEOSA-N 2 0 333.476 2.482 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC000339546469 465337618 /nfs/dbraw/zinc/33/76/18/465337618.db2.gz VYUODUWDBCEBDW-MVCQKVDPSA-N 2 0 348.535 2.375 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000352347613 465517340 /nfs/dbraw/zinc/51/73/40/465517340.db2.gz QIBOHNDJGHDNMN-FUHWJXTLSA-N 2 0 332.492 2.290 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000352358975 465518811 /nfs/dbraw/zinc/51/88/11/465518811.db2.gz AOWQDFLHNOTEEH-JXQTWKCFSA-N 2 0 333.398 2.002 10 0 EEAERP CC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371073599 465582860 /nfs/dbraw/zinc/58/28/60/465582860.db2.gz IJKPTLMUYJUWPP-DLBZAZTESA-N 2 0 336.455 2.212 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000362226613 465587040 /nfs/dbraw/zinc/58/70/40/465587040.db2.gz JBJMAPQYDFMFIK-QGZVFWFLSA-N 2 0 347.503 2.431 10 0 EEAERP O=C([C@H]1COCCN1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353453725 465894560 /nfs/dbraw/zinc/89/45/60/465894560.db2.gz ZJXGQHFKMSUJPV-RBUKOAKNSA-N 2 0 349.519 2.107 10 0 EEAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000366885221 465994740 /nfs/dbraw/zinc/99/47/40/465994740.db2.gz PHMSZNQQJQXYIP-LJQANCHMSA-N 2 0 332.488 2.372 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353615533 466015258 /nfs/dbraw/zinc/01/52/58/466015258.db2.gz WIUFZDKFMXSMRI-ZGXWSNOMSA-N 2 0 341.499 2.498 10 0 EEAERP COCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361529 468480650 /nfs/dbraw/zinc/48/06/50/468480650.db2.gz DDEDUNXRLUTBSN-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP C[N@H+](CCCNC(=O)c1ccccc1CC[NH3+])Cc1ccccc1 ZINC000304959675 466324003 /nfs/dbraw/zinc/32/40/03/466324003.db2.gz OUINTJXERLRMSM-UHFFFAOYSA-N 2 0 325.456 2.440 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)[C@H]2CCC[C@H]21 ZINC000367615995 466450334 /nfs/dbraw/zinc/45/03/34/466450334.db2.gz MTHXDRDIAHXFCT-CEXWTWQISA-N 2 0 325.460 2.289 10 0 EEAERP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CC2 ZINC000423495552 466758322 /nfs/dbraw/zinc/75/83/22/466758322.db2.gz URMSTWDGGWGHBV-ZIAGYGMSSA-N 2 0 339.277 2.275 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccco1 ZINC000417311759 466830382 /nfs/dbraw/zinc/83/03/82/466830382.db2.gz MNJQLRYPBPAPMC-IXDOHACOSA-N 2 0 348.491 2.304 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417580871 466887269 /nfs/dbraw/zinc/88/72/69/466887269.db2.gz DVMHBQKBBUSFPN-SFHVURJKSA-N 2 0 332.492 2.074 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000417738704 466921960 /nfs/dbraw/zinc/92/19/60/466921960.db2.gz PHVTWICNDGMXAC-HOCLYGCPSA-N 2 0 336.505 2.136 10 0 EEAERP C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376888355 466956410 /nfs/dbraw/zinc/95/64/10/466956410.db2.gz NSRHRYWJTZYJDK-XLIONFOSSA-N 2 0 343.515 2.492 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417916423 466984411 /nfs/dbraw/zinc/98/44/11/466984411.db2.gz VZKPHXZJMQNGGW-AEFFLSMTSA-N 2 0 332.492 2.354 10 0 EEAERP CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417931107 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SJYGLXUMXIKRJQ-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113578 467460870 /nfs/dbraw/zinc/46/08/70/467460870.db2.gz FNGUFRYWRRLQHO-SJORKVTESA-N 2 0 331.508 2.429 10 0 EEAERP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453430000 467488889 /nfs/dbraw/zinc/48/88/89/467488889.db2.gz QTOBRFKXXZPJLD-GNBUJSLZSA-N 2 0 327.472 2.440 10 0 EEAERP C[C@H](Cc1ccoc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000449179975 467622143 /nfs/dbraw/zinc/62/21/43/467622143.db2.gz XTBBRVIBBNQBIO-OAHLLOKOSA-N 2 0 335.492 2.427 10 0 EEAERP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397539 467638180 /nfs/dbraw/zinc/63/81/80/467638180.db2.gz VNVLPKSMDUAIQA-GIVPXCGWSA-N 2 0 345.531 2.476 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529307986 467843377 /nfs/dbraw/zinc/84/33/77/467843377.db2.gz MZTSSHAHQSKKJD-ZWKOTPCHSA-N 2 0 342.487 2.235 10 0 EEAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000514936988 467964709 /nfs/dbraw/zinc/96/47/09/467964709.db2.gz BIGIARYYJZBGOJ-UYAOXDASSA-N 2 0 343.515 2.494 10 0 EEAERP COc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248878 467968345 /nfs/dbraw/zinc/96/83/45/467968345.db2.gz ROBANQNDVKKCCN-QGZVFWFLSA-N 2 0 334.460 2.294 10 0 EEAERP Cc1nsc(N2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC000568050731 468264232 /nfs/dbraw/zinc/26/42/32/468264232.db2.gz CVVOWGMDTORTRR-UHFFFAOYSA-N 2 0 343.500 2.205 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594205335 468512241 /nfs/dbraw/zinc/51/22/41/468512241.db2.gz RJUKUPNPSWJIBC-UXHICEINSA-N 2 0 331.504 2.040 10 0 EEAERP [NH3+][C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000557138046 468615173 /nfs/dbraw/zinc/61/51/73/468615173.db2.gz VBLDVFSTPWURMA-GOSISDBHSA-N 2 0 330.476 2.305 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000582953466 468621358 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ZINC000634702401 470281718 /nfs/dbraw/zinc/28/17/18/470281718.db2.gz GOYJUYQOZPCWLP-GIVPXCGWSA-N 2 0 346.515 2.053 10 0 EEAERP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CSCN1 ZINC000638850189 470304244 /nfs/dbraw/zinc/30/42/44/470304244.db2.gz CBSYJTWEZTTYQT-IRXDYDNUSA-N 2 0 333.501 2.210 10 0 EEAERP CC1(OCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[NH2+]C1 ZINC000649310911 470541607 /nfs/dbraw/zinc/54/16/07/470541607.db2.gz MPPIKWNYYKLSRK-UHFFFAOYSA-N 2 0 345.487 2.057 10 0 EEAERP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)CC2 ZINC000639643005 470592861 /nfs/dbraw/zinc/59/28/61/470592861.db2.gz YEWNEWJWQKVROH-AZUAARDMSA-N 2 0 337.471 2.363 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000646335281 470609051 /nfs/dbraw/zinc/60/90/51/470609051.db2.gz ATDLLYHMHUWSFZ-RBUKOAKNSA-N 2 0 345.487 2.456 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H]3OCCN(CC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000649750307 470684691 /nfs/dbraw/zinc/68/46/91/470684691.db2.gz KIENLOGARMXYSW-LEWJYISDSA-N 2 0 343.515 2.448 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000643530566 470715571 /nfs/dbraw/zinc/71/55/71/470715571.db2.gz PUCFAWMXDLHBHS-IRXDYDNUSA-N 2 0 341.421 2.360 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000650058055 470780464 /nfs/dbraw/zinc/78/04/64/470780464.db2.gz KKADJFODAKJBKI-UHFFFAOYSA-N 2 0 328.420 2.217 10 0 EEAERP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2O1 ZINC000647801422 470988712 /nfs/dbraw/zinc/98/87/12/470988712.db2.gz VBNCSSFYLYXHGR-HZSPNIEDSA-N 2 0 340.370 2.255 10 0 EEAERP O=C(CCC1C[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638311211 471034112 /nfs/dbraw/zinc/03/41/12/471034112.db2.gz XLNCHFADQHRSHH-VQTJNVASSA-N 2 0 341.499 2.499 10 0 EEAERP c1c(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)onc1C1CC1 ZINC000638461911 471104971 /nfs/dbraw/zinc/10/49/71/471104971.db2.gz HMLLQFVFKQYNHR-UHFFFAOYSA-N 2 0 341.459 2.249 10 0 EEAERP COc1cccc2c1OC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000657345969 471106865 /nfs/dbraw/zinc/10/68/65/471106865.db2.gz UCAKDGCIAGIHPE-HNNXBMFYSA-N 2 0 336.395 2.369 10 0 EEAERP c1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657402360 471125894 /nfs/dbraw/zinc/12/58/94/471125894.db2.gz RLMDXGAXLKZCST-OAHLLOKOSA-N 2 0 328.416 2.085 10 0 EEAERP COC[C@H](CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000657556242 471170000 /nfs/dbraw/zinc/17/00/00/471170000.db2.gz YALFNVUODNPEAP-IBGZPJMESA-N 2 0 349.519 2.358 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000652117156 471237783 /nfs/dbraw/zinc/23/77/83/471237783.db2.gz DQSVWJGBYDDHJB-KRWDZBQOSA-N 2 0 330.476 2.252 10 0 EEAERP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC000658054625 471263381 /nfs/dbraw/zinc/26/33/81/471263381.db2.gz FOIMOVALZQWWTE-HIFRSBDPSA-N 2 0 339.505 2.118 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449408 471330155 /nfs/dbraw/zinc/33/01/55/471330155.db2.gz FBFPVSCIJFBZIW-JXFKEZNVSA-N 2 0 342.487 2.157 10 0 EEAERP CCc1ccc([C@@H]2C[NH2+]CCN2Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000663495043 471400228 /nfs/dbraw/zinc/40/02/28/471400228.db2.gz ULNYJVLNHLBNLW-KRWDZBQOSA-N 2 0 342.512 2.498 10 0 EEAERP COCC[N@@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC000652926517 471418671 /nfs/dbraw/zinc/41/86/71/471418671.db2.gz BFXMHEWVQMTTEY-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659044478 471484761 /nfs/dbraw/zinc/48/47/61/471484761.db2.gz UZZVADUXXZRAJF-ROUUACIJSA-N 2 0 346.475 2.296 10 0 EEAERP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000655799374 471486839 /nfs/dbraw/zinc/48/68/39/471486839.db2.gz OIBHUVAWNRPVQR-NMLBUPMWSA-N 2 0 332.488 2.417 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000669425527 471493135 /nfs/dbraw/zinc/49/31/35/471493135.db2.gz RKGUWUQPQGEPRP-ONEGZZNKSA-N 2 0 330.476 2.377 10 0 EEAERP C[C@@H]1C[C@H](CCNC(=O)NC/C=C/C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000669543035 471542264 /nfs/dbraw/zinc/54/22/64/471542264.db2.gz ZTDJPMTZHFUWKF-BHMLKFMNSA-N 2 0 330.476 2.101 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659269724 471559497 /nfs/dbraw/zinc/55/94/97/471559497.db2.gz NSWOZBFWTXCUKT-WDSOQIARSA-N 2 0 347.503 2.250 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000669589036 471570667 /nfs/dbraw/zinc/57/06/67/471570667.db2.gz CQZOSQKNBXSGHP-DUMMIQTOSA-N 2 0 330.476 2.103 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659489724 471652545 /nfs/dbraw/zinc/65/25/45/471652545.db2.gz KFDDVINDHCSURV-VIQWUECVSA-N 2 0 348.535 2.425 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1=O ZINC000653570499 471669352 /nfs/dbraw/zinc/66/93/52/471669352.db2.gz QTZQTRKEFCOIAN-WMZOPIPTSA-N 2 0 325.456 2.455 10 0 EEAERP [NH3+]C1(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCCCC1 ZINC000667148599 471671943 /nfs/dbraw/zinc/67/19/43/471671943.db2.gz FPEPXHFRNANABA-UHFFFAOYSA-N 2 0 328.420 2.441 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000659623374 471702853 /nfs/dbraw/zinc/70/28/53/471702853.db2.gz AIWSNBDINGNHDS-GOSISDBHSA-N 2 0 332.492 2.277 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000661305143 471709053 /nfs/dbraw/zinc/70/90/53/471709053.db2.gz NWXOQOSRLYCPKX-LJQANCHMSA-N 2 0 349.438 2.408 10 0 EEAERP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000664727870 471845541 /nfs/dbraw/zinc/84/55/41/471845541.db2.gz RSPRFBMCUXGETE-LJQANCHMSA-N 2 0 346.519 2.416 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)c2ccccc2)CC1 ZINC000667755710 471894033 /nfs/dbraw/zinc/89/40/33/471894033.db2.gz AZSDBANFICGEGW-UFYCRDLUSA-N 2 0 329.488 2.132 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000661996954 471951529 /nfs/dbraw/zinc/95/15/29/471951529.db2.gz LVKOBBAXNVGEOS-FQEVSTJZSA-N 2 0 344.499 2.370 10 0 EEAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000665281143 471988187 /nfs/dbraw/zinc/98/81/87/471988187.db2.gz WBDPZVNLSNYSDD-RHSMWYFYSA-N 2 0 339.505 2.251 10 0 EEAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665282891 471988564 /nfs/dbraw/zinc/98/85/64/471988564.db2.gz DLBXJBSDWXVGTF-AQNXPRMDSA-N 2 0 330.520 2.052 10 0 EEAERP COc1ccccc1-c1cc(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)on1 ZINC000665300029 471995253 /nfs/dbraw/zinc/99/52/53/471995253.db2.gz WXIQHZOTTRBOCB-RBUKOAKNSA-N 2 0 343.427 2.207 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000668302549 472076667 /nfs/dbraw/zinc/07/66/67/472076667.db2.gz JUSYEISTHPXEPL-GDBMZVCRSA-N 2 0 331.451 2.154 10 0 EEAERP [NH3+]C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669075 472197662 /nfs/dbraw/zinc/19/76/62/472197662.db2.gz UTMBHMLHXJKKRR-WMZOPIPTSA-N 2 0 333.451 2.391 10 0 EEAERP C[C@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC[NH2+]CC1 ZINC000662685733 472205693 /nfs/dbraw/zinc/20/56/93/472205693.db2.gz HEUUMLVDVYUMEC-RDTXWAMCSA-N 2 0 331.460 2.312 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000668660941 472214614 /nfs/dbraw/zinc/21/46/14/472214614.db2.gz IINKZMAEDVUZOD-ILXRZTDVSA-N 2 0 336.505 2.182 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000666029060 472282704 /nfs/dbraw/zinc/28/27/04/472282704.db2.gz HNKATVKPZMNFQE-UHFFFAOYSA-N 2 0 334.464 2.042 10 0 EEAERP O=C(C[C@@H]1CCC[NH2+]C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397576932 485673476 /nfs/dbraw/zinc/67/34/76/485673476.db2.gz BMUVNBWPBMIBMN-IBGZPJMESA-N 2 0 329.488 2.405 10 0 EEAERP CN1CC[NH+](CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000683926917 485688119 /nfs/dbraw/zinc/68/81/19/485688119.db2.gz APYBPIUUCWEUPM-UHFFFAOYSA-N 2 0 336.427 2.279 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000629541295 485730413 /nfs/dbraw/zinc/73/04/13/485730413.db2.gz YGRLABKYZUQWPB-IRXDYDNUSA-N 2 0 326.868 2.385 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000684687387 485962846 /nfs/dbraw/zinc/96/28/46/485962846.db2.gz LOEURRGNKDKYPE-UHFFFAOYSA-N 2 0 340.431 2.406 10 0 EEAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000495095963 534968137 /nfs/dbraw/zinc/96/81/37/534968137.db2.gz YWWQUECFFUKGHL-MSOLQXFVSA-N 2 0 329.488 2.198 10 0 EEAERP C[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000764563704 577738876 /nfs/dbraw/zinc/73/88/76/577738876.db2.gz GWURAGQTUPSOGD-SCTDSRPQSA-N 2 0 329.488 2.450 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=S)NCC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000741488638 578120256 /nfs/dbraw/zinc/12/02/56/578120256.db2.gz LTVXYAVDKYWDRF-HUUCEWRRSA-N 2 0 328.570 2.111 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000914244921 683404705 /nfs/dbraw/zinc/40/47/05/683404705.db2.gz TUIUGQXNKXHLRX-RDTXWAMCSA-N 2 0 348.466 2.182 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]cnc2c1F ZINC000896624911 685124712 /nfs/dbraw/zinc/12/47/12/685124712.db2.gz RZPSYLSKVGXYJC-UHFFFAOYSA-N 2 0 349.454 2.048 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000903922759 694256485 /nfs/dbraw/zinc/25/64/85/694256485.db2.gz DLBRTMFXEVUQEE-SJLPKXTDSA-N 2 0 328.464 2.127 10 0 EEAERP Cc1ncsc1C[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001485534209 1191830466 /nfs/dbraw/zinc/83/04/66/1191830466.db2.gz ZUTVVUNYZKEPDR-ZDUSSCGKSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001272733767 1192404267 /nfs/dbraw/zinc/40/42/67/1192404267.db2.gz HDKWOUBRXFEUNN-MYDIMZOPSA-N 2 0 327.900 2.344 10 0 EEAERP C[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)CC1=CCCCC1 ZINC001690961765 1176381284 /nfs/dbraw/zinc/38/12/84/1176381284.db2.gz XBBPKWCGOBUBOK-UHFFFAOYSA-N 2 0 339.443 2.429 10 0 EEAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001266472238 1176601459 /nfs/dbraw/zinc/60/14/59/1176601459.db2.gz GGZRFRKLOSPZIW-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001266551697 1176822263 /nfs/dbraw/zinc/82/22/63/1176822263.db2.gz XTJSLVFAKZCMLM-OAHLLOKOSA-N 2 0 338.883 2.013 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001266596282 1176909530 /nfs/dbraw/zinc/90/95/30/1176909530.db2.gz ZGWNSCHVSDSHGK-ULQDDVLXSA-N 2 0 325.472 2.404 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccc(Cl)cc3)C2)C1 ZINC001266638559 1177038970 /nfs/dbraw/zinc/03/89/70/1177038970.db2.gz YOVVJXMUMAVUMX-KBAYOESNSA-N 2 0 349.906 2.461 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001691079153 1177539364 /nfs/dbraw/zinc/53/93/64/1177539364.db2.gz IOIFAFGVEUJDTD-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001692016971 1177681217 /nfs/dbraw/zinc/68/12/17/1177681217.db2.gz QCAJEDVAFRUTSQ-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001267018914 1178104830 /nfs/dbraw/zinc/10/48/30/1178104830.db2.gz RLTGQOIIHBBDTA-MJGOQNOKSA-N 2 0 329.488 2.152 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267048713 1178149053 /nfs/dbraw/zinc/14/90/53/1178149053.db2.gz ZHOUSOYRZBETCT-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267131649 1178303223 /nfs/dbraw/zinc/30/32/23/1178303223.db2.gz HNUJQDNFHODZOE-IACUBPJLSA-N 2 0 347.850 2.246 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2ccc(F)cn2)C1 ZINC001267181764 1178443388 /nfs/dbraw/zinc/44/33/88/1178443388.db2.gz NGFOOSMPYFAUTG-QAPCUYQASA-N 2 0 348.466 2.033 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456437 1179038799 /nfs/dbraw/zinc/03/87/99/1179038799.db2.gz XIUXDRVDAGLFSE-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)ccc1C ZINC001267462322 1179058107 /nfs/dbraw/zinc/05/81/07/1179058107.db2.gz JKAUFDYGGVHSGQ-FQEVSTJZSA-N 2 0 345.487 2.038 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)Cc1cncn1C)C(C)C ZINC001267510971 1179220382 /nfs/dbraw/zinc/22/03/82/1179220382.db2.gz FVNFNVAIRQLORO-UHFFFAOYSA-N 2 0 343.475 2.083 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001481057547 1179647585 /nfs/dbraw/zinc/64/75/85/1179647585.db2.gz HYGYXGAATYDNMF-QAPCUYQASA-N 2 0 333.451 2.248 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481119510 1179796759 /nfs/dbraw/zinc/79/67/59/1179796759.db2.gz WBAKRDSNUULTMO-SJORKVTESA-N 2 0 347.478 2.414 10 0 EEAERP COCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267670703 1180132804 /nfs/dbraw/zinc/13/28/04/1180132804.db2.gz OXVNDXPLLLQTEC-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242663 1180418251 /nfs/dbraw/zinc/41/82/51/1180418251.db2.gz RKZOJHWPDOKPIU-LBPRGKRZSA-N 2 0 344.912 2.219 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267762975 1180442528 /nfs/dbraw/zinc/44/25/28/1180442528.db2.gz VEOIFNNFJNKVCH-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001267964071 1180859164 /nfs/dbraw/zinc/85/91/64/1180859164.db2.gz ZLZZSDYOGHMKIK-IDSJHHPBSA-N 2 0 327.900 2.442 10 0 EEAERP CN(CC[NH2+]CCCCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001481304476 1180973504 /nfs/dbraw/zinc/97/35/04/1180973504.db2.gz VGMYZCIEQGDDKH-UHFFFAOYSA-N 2 0 329.488 2.153 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001481373684 1181152544 /nfs/dbraw/zinc/15/25/44/1181152544.db2.gz BIHORBGJPFDGLR-MOPGFXCFSA-N 2 0 347.503 2.343 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001268041400 1181450483 /nfs/dbraw/zinc/45/04/83/1181450483.db2.gz VRDWAUAOXCDMEK-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCc1cccs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268115906 1181761863 /nfs/dbraw/zinc/76/18/63/1181761863.db2.gz CMLNTQHHYGWLMG-HOTGVXAUSA-N 2 0 337.533 2.363 10 0 EEAERP COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001268178605 1181960517 /nfs/dbraw/zinc/96/05/17/1181960517.db2.gz GCSDCDAMJLSORN-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C[NH2+]CCC(F)(F)F ZINC001268195391 1181989701 /nfs/dbraw/zinc/98/97/01/1181989701.db2.gz KIFDYNUWLMMPJC-KBPBESRZSA-N 2 0 347.425 2.251 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C[NH2+]CCF ZINC001268196647 1181993810 /nfs/dbraw/zinc/99/38/10/1181993810.db2.gz STONOSVQWZKYCW-CRAIPNDOSA-N 2 0 339.499 2.295 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001268229387 1182043941 /nfs/dbraw/zinc/04/39/41/1182043941.db2.gz ZOIGPXHDZYRFDW-OAHLLOKOSA-N 2 0 340.899 2.306 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2nccn21 ZINC001268280937 1182147916 /nfs/dbraw/zinc/14/79/16/1182147916.db2.gz OLLKCCHGXLEAJY-JKSUJKDBSA-N 2 0 344.459 2.249 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268376721 1182396693 /nfs/dbraw/zinc/39/66/93/1182396693.db2.gz ZRLKPQNZAKGLQF-KRWDZBQOSA-N 2 0 347.503 2.029 10 0 EEAERP Cc1cncn1CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C(C)C)n1 ZINC001268381823 1182406959 /nfs/dbraw/zinc/40/69/59/1182406959.db2.gz AUMVGJFHIFQUBS-HNNXBMFYSA-N 2 0 343.475 2.395 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001268426872 1182594438 /nfs/dbraw/zinc/59/44/38/1182594438.db2.gz SQCABEJFLAAIQR-AWEZNQCLSA-N 2 0 338.496 2.297 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1c(C)noc1C ZINC001481844471 1182786125 /nfs/dbraw/zinc/78/61/25/1182786125.db2.gz OGWMCTZIDPQVDY-VBNZEHGJSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)CC[C@H]3CCC[N@H+]3C)CCCC2)o1 ZINC001481899398 1182911559 /nfs/dbraw/zinc/91/15/59/1182911559.db2.gz UONMAUQSTPLYBY-MRXNPFEDSA-N 2 0 348.491 2.376 10 0 EEAERP C[C@@](C[NH2+]CCC1CC1)(NC(=O)[C@H]1CCn2cncc2C1)C1CC1 ZINC001481933605 1182983248 /nfs/dbraw/zinc/98/32/48/1182983248.db2.gz MNOGXSYXNQXSNH-KXBFYZLASA-N 2 0 330.476 2.120 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)Cc1[nH]cnc1C ZINC001268494406 1183001741 /nfs/dbraw/zinc/00/17/41/1183001741.db2.gz VMFQUKMPDAPKPF-UHFFFAOYSA-N 2 0 328.460 2.250 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1)[NH+](C)C ZINC001482005028 1183110486 /nfs/dbraw/zinc/11/04/86/1183110486.db2.gz ZQKQMBCERBRWRB-LJQANCHMSA-N 2 0 346.519 2.386 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCc1ccsc1 ZINC001268579000 1183345077 /nfs/dbraw/zinc/34/50/77/1183345077.db2.gz MSCQFNRPAQCQKH-IDOMTICXSA-N 2 0 335.517 2.427 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001482173209 1183499831 /nfs/dbraw/zinc/49/98/31/1183499831.db2.gz HLRKBYZWOHWTMQ-XJKSGUPXSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001268625117 1183547782 /nfs/dbraw/zinc/54/77/82/1183547782.db2.gz LGFCOWQUMHQPQI-NMEQGOOXSA-N 2 0 337.414 2.240 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001268625714 1183548658 /nfs/dbraw/zinc/54/86/58/1183548658.db2.gz KCMOYALCXRIAJM-DHJFXDNESA-N 2 0 341.499 2.320 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]CC[C@H]1CCCO1)[NH+]1CCCCCC1 ZINC001268868581 1183777379 /nfs/dbraw/zinc/77/73/79/1183777379.db2.gz IJNSWALSVSDJQO-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268915910 1183825096 /nfs/dbraw/zinc/82/50/96/1183825096.db2.gz SDZOXPSPPJLQOA-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001269293685 1184148899 /nfs/dbraw/zinc/14/88/99/1184148899.db2.gz ZTRBWMMBSCANMI-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001269345137 1184195871 /nfs/dbraw/zinc/19/58/71/1184195871.db2.gz KGBCPHBLQLARCN-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCC1)C1CCC1 ZINC001269553948 1184383201 /nfs/dbraw/zinc/38/32/01/1184383201.db2.gz HSYYOPFWPOBFQH-QGZVFWFLSA-N 2 0 337.508 2.058 10 0 EEAERP COCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001269948201 1184737575 /nfs/dbraw/zinc/73/75/75/1184737575.db2.gz KGNZCXMTSRNMJN-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCOc1ccccc1 ZINC001482285096 1185066780 /nfs/dbraw/zinc/06/67/80/1185066780.db2.gz UPOLKSHTSRQDPI-PKOBYXMFSA-N 2 0 347.503 2.375 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C/C=C\c1ccccc1 ZINC001270566807 1185176908 /nfs/dbraw/zinc/17/69/08/1185176908.db2.gz CVILATOJPLJKPO-CTEOGUNLSA-N 2 0 327.472 2.138 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCOCC)C2)C1 ZINC001270625162 1185239424 /nfs/dbraw/zinc/23/94/24/1185239424.db2.gz VOYUTHMOYVNTMH-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001482356958 1185501701 /nfs/dbraw/zinc/50/17/01/1185501701.db2.gz UNGQVFNWNFJNSN-LBPRGKRZSA-N 2 0 326.510 2.038 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001482364317 1185519186 /nfs/dbraw/zinc/51/91/86/1185519186.db2.gz GYZZFMDSOKDNIZ-ROUUACIJSA-N 2 0 347.503 2.070 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]Cc2ccnc(Cl)c2)CC1 ZINC001691524863 1186130089 /nfs/dbraw/zinc/13/00/89/1186130089.db2.gz BBSARUGWGFUBEF-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccns2)C1 ZINC001482485289 1186205711 /nfs/dbraw/zinc/20/57/11/1186205711.db2.gz UNWMBHMFRPTAQP-CABCVRRESA-N 2 0 338.521 2.200 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001271609600 1186337471 /nfs/dbraw/zinc/33/74/71/1186337471.db2.gz QOSRKSOUKOEQAC-CVEARBPZSA-N 2 0 348.491 2.050 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001482831621 1187751341 /nfs/dbraw/zinc/75/13/41/1187751341.db2.gz AJSRESCVJMJNGI-DNVCBOLYSA-N 2 0 345.487 2.021 10 0 EEAERP C[C@H](CC[NH2+]Cc1coc(C2CC2)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482883090 1187807312 /nfs/dbraw/zinc/80/73/12/1187807312.db2.gz BTTNOAPSPZUCED-OAHLLOKOSA-N 2 0 348.491 2.268 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482933155 1187853078 /nfs/dbraw/zinc/85/30/78/1187853078.db2.gz AQBHXUGLBUEIJT-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482934987 1187855509 /nfs/dbraw/zinc/85/55/09/1187855509.db2.gz VPCXDXDPSFJRQN-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691556295 1188261084 /nfs/dbraw/zinc/26/10/84/1188261084.db2.gz SYLHWOQABJVSTK-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cncc(F)c2)C1 ZINC001483049688 1188287554 /nfs/dbraw/zinc/28/75/54/1188287554.db2.gz PFTBOFQVFVQIFP-REMYHPOOSA-N 2 0 348.466 2.105 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483050695 1188293897 /nfs/dbraw/zinc/29/38/97/1188293897.db2.gz JZUUYYSRNGAJOX-VGOKWCNXSA-N 2 0 325.472 2.405 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnc(C)s1 ZINC001272822908 1193562000 /nfs/dbraw/zinc/56/20/00/1193562000.db2.gz ISIBHCUKVJUOGJ-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)ns1 ZINC001483098768 1188474897 /nfs/dbraw/zinc/47/48/97/1188474897.db2.gz SUZBEMDAGRZTIN-SQRWCISFSA-N 2 0 336.505 2.088 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001409290114 1188602729 /nfs/dbraw/zinc/60/27/29/1188602729.db2.gz RGHPLKHMVFBGCT-FMBOFROOSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001272845207 1193574533 /nfs/dbraw/zinc/57/45/33/1193574533.db2.gz PVKSAQJPYPFCBM-YJBOKZPZSA-N 2 0 334.508 2.269 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001272852861 1193576999 /nfs/dbraw/zinc/57/69/99/1193576999.db2.gz CDHXNJUFBZVVTC-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691626192 1188731940 /nfs/dbraw/zinc/73/19/40/1188731940.db2.gz WUARSOGEXXRWLK-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483167351 1189003445 /nfs/dbraw/zinc/00/34/45/1189003445.db2.gz ZAHRIEZZFCXZKM-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001483188713 1189060646 /nfs/dbraw/zinc/06/06/46/1189060646.db2.gz SPDIAFZYGBJAIO-ZBFHGGJFSA-N 2 0 340.471 2.160 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409437638 1189675840 /nfs/dbraw/zinc/67/58/40/1189675840.db2.gz ACFXRVSOFBDZNZ-HOTGVXAUSA-N 2 0 333.476 2.082 10 0 EEAERP CC[N@@H+]1CC[C@@H]1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905547885 1189784320 /nfs/dbraw/zinc/78/43/20/1189784320.db2.gz MRFTUERDWBJCHA-GOSISDBHSA-N 2 0 346.544 2.209 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001483318877 1190342895 /nfs/dbraw/zinc/34/28/95/1190342895.db2.gz FYVXJTCRQOLWOJ-QAPCUYQASA-N 2 0 332.492 2.236 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001483470536 1190492936 /nfs/dbraw/zinc/49/29/36/1190492936.db2.gz FUWUAPPHEJAJCT-INIZCTEOSA-N 2 0 340.537 2.284 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001483474158 1190495786 /nfs/dbraw/zinc/49/57/86/1190495786.db2.gz OQOOQKOJSXBIJH-GOSISDBHSA-N 2 0 330.476 2.446 10 0 EEAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)OC ZINC001493543106 1190527369 /nfs/dbraw/zinc/52/73/69/1190527369.db2.gz CENFEOBTYPMYIW-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cc(C)no1)[NH+](C)C ZINC001409854249 1190687613 /nfs/dbraw/zinc/68/76/13/1190687613.db2.gz WNQZVMIEIRMCPW-NVXWUHKLSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2Cc2ccccn2)C1 ZINC001409854917 1190689169 /nfs/dbraw/zinc/68/91/69/1190689169.db2.gz WTLQUMUPDNSDBL-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCCOC ZINC001483626746 1190691165 /nfs/dbraw/zinc/69/11/65/1190691165.db2.gz SEAXUMPXLIGXRY-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001409901119 1190966795 /nfs/dbraw/zinc/96/67/95/1190966795.db2.gz DWGCMJFMPVTGEP-QFBILLFUSA-N 2 0 344.503 2.201 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001483817775 1191046120 /nfs/dbraw/zinc/04/61/20/1191046120.db2.gz YPQQUVSFLYTOSE-OQFOIZHKSA-N 2 0 327.900 2.394 10 0 EEAERP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001483804373 1191050932 /nfs/dbraw/zinc/05/09/32/1191050932.db2.gz LBIQEBSWCIJNDY-AYHJJNSGSA-N 2 0 349.519 2.153 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001493720387 1191058929 /nfs/dbraw/zinc/05/89/29/1191058929.db2.gz LQFPOXJVJFTDGP-FUHWJXTLSA-N 2 0 347.507 2.157 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483943847 1191126299 /nfs/dbraw/zinc/12/62/99/1191126299.db2.gz YPGYFVFPJGSWDB-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP Cc1nccn1CC(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001483955643 1191130310 /nfs/dbraw/zinc/13/03/10/1191130310.db2.gz NGUOPTJOFAUKAY-OAHLLOKOSA-N 2 0 332.473 2.076 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCOCC)CC1 ZINC001484136739 1191228286 /nfs/dbraw/zinc/22/82/86/1191228286.db2.gz CSRSSSOHYYETOL-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](CC2CCCC2)C1 ZINC001484175360 1191260655 /nfs/dbraw/zinc/26/06/55/1191260655.db2.gz VSILPHPTHCLYLY-LJQANCHMSA-N 2 0 333.520 2.491 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3=CCCCC3)CCOCC2)CCC1 ZINC001484184603 1191263422 /nfs/dbraw/zinc/26/34/22/1191263422.db2.gz XZIOVEASUMDEAM-UHFFFAOYSA-N 2 0 349.519 2.226 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484728452 1191487364 /nfs/dbraw/zinc/48/73/64/1191487364.db2.gz PFEBSPRMKAIJTI-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]C[C@H]2CCCOC2)CC1 ZINC001484817785 1191538659 /nfs/dbraw/zinc/53/86/59/1191538659.db2.gz PGVDEZLSALXNTB-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)OC ZINC001484915683 1191568732 /nfs/dbraw/zinc/56/87/32/1191568732.db2.gz CKBXSCXXWBDJQG-YESZJQIVSA-N 2 0 339.524 2.112 10 0 EEAERP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001484925987 1191573340 /nfs/dbraw/zinc/57/33/40/1191573340.db2.gz DFWVTMOPFPYTMO-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CC1([NH2+]CCC(F)(F)F)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484927655 1191573722 /nfs/dbraw/zinc/57/37/22/1191573722.db2.gz XBJMYBLCPWJRRZ-UHFFFAOYSA-N 2 0 333.398 2.005 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001484983787 1191601355 /nfs/dbraw/zinc/60/13/55/1191601355.db2.gz YEOACWQZEMOSPL-GOEBONIOSA-N 2 0 344.459 2.262 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485205358 1191692519 /nfs/dbraw/zinc/69/25/19/1191692519.db2.gz BDSFBLFQHHUFPG-KBPBESRZSA-N 2 0 336.480 2.086 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@@]23CCC[C@@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC001486159922 1193705977 /nfs/dbraw/zinc/70/59/77/1193705977.db2.gz LJOPSHIFOVPLJQ-AZUAARDMSA-N 2 0 349.519 2.011 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001486180857 1193718206 /nfs/dbraw/zinc/71/82/06/1193718206.db2.gz QOAGIJXRIFUDHV-MAUKXSAKSA-N 2 0 333.476 2.116 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486241051 1193767851 /nfs/dbraw/zinc/76/78/51/1193767851.db2.gz SHNRGMBWLUZXMT-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(C)(C)C ZINC001486359293 1193845497 /nfs/dbraw/zinc/84/54/97/1193845497.db2.gz TZRLYNVXRZLXJH-IAGOWNOFSA-N 2 0 341.540 2.048 10 0 EEAERP CC(C)N(CC[N@H+](C)CCOc1ccccc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001486380191 1193891894 /nfs/dbraw/zinc/89/18/94/1193891894.db2.gz YVWUBYRNTSAHAD-SFHVURJKSA-N 2 0 347.503 2.186 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001486418265 1193948797 /nfs/dbraw/zinc/94/87/97/1193948797.db2.gz SNTKRZVVGREUBW-IRXDYDNUSA-N 2 0 341.540 2.406 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001486453333 1193975086 /nfs/dbraw/zinc/97/50/86/1193975086.db2.gz YESYYVZDMCPNFB-CXILLOQGSA-N 2 0 341.805 2.060 10 0 EEAERP Cc1cccc(CCC[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001486482361 1193996547 /nfs/dbraw/zinc/99/65/47/1193996547.db2.gz ALKBQKBPRCOJNY-HDYDNRTBSA-N 2 0 343.515 2.458 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001410155877 1197573986 /nfs/dbraw/zinc/57/39/86/1197573986.db2.gz NSEBGYDMNUTJAT-DSLXNQLJSA-N 2 0 329.488 2.383 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001410381657 1197777325 /nfs/dbraw/zinc/77/73/25/1197777325.db2.gz AMEAHVXSYQBDOW-MLGOLLRUSA-N 2 0 341.883 2.322 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1 ZINC001410444402 1197923281 /nfs/dbraw/zinc/92/32/81/1197923281.db2.gz BQOMTHNUVFDOEQ-HOCLYGCPSA-N 2 0 338.521 2.343 10 0 EEAERP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000872031629 1198030598 /nfs/dbraw/zinc/03/05/98/1198030598.db2.gz RLSKIYYMCDIUNQ-UYAOXDASSA-N 2 0 346.519 2.389 10 0 EEAERP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)CCCCCC[NH3+] ZINC000872154882 1198061494 /nfs/dbraw/zinc/06/14/94/1198061494.db2.gz DFFGTOUMLLPJGE-AWEZNQCLSA-N 2 0 335.448 2.236 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001410507826 1198062979 /nfs/dbraw/zinc/06/29/79/1198062979.db2.gz YUBMOCCJFBBGTJ-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208004 1198086274 /nfs/dbraw/zinc/08/62/74/1198086274.db2.gz MKHNUOVSCDPADN-NJYVYQBISA-N 2 0 346.515 2.400 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323450 1198164918 /nfs/dbraw/zinc/16/49/18/1198164918.db2.gz NNMPQQGHPSCSOD-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1cnc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000865410838 1198202585 /nfs/dbraw/zinc/20/25/85/1198202585.db2.gz KCGOVNUBSZCBOJ-OAHLLOKOSA-N 2 0 328.863 2.236 10 0 EEAERP CCn1nc(C)c(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC000865774887 1198370217 /nfs/dbraw/zinc/37/02/17/1198370217.db2.gz NMONKXQBAATWNK-UHFFFAOYSA-N 2 0 327.476 2.360 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2ncncc2-c2ccccc2)C[C@H]1C[NH+](C)C ZINC000866012183 1198454143 /nfs/dbraw/zinc/45/41/43/1198454143.db2.gz SZJZPWPOHBPVSW-QZTJIDSGSA-N 2 0 339.487 2.319 10 0 EEAERP Cc1nc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)o1 ZINC001411115333 1198811331 /nfs/dbraw/zinc/81/13/31/1198811331.db2.gz WLRMEJVCULJYFC-CJNGLKHVSA-N 2 0 336.480 2.102 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCOCC1)C(C)(C)C ZINC001411213981 1198922992 /nfs/dbraw/zinc/92/29/92/1198922992.db2.gz FPOWLAQMCAHYAP-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CCc1nc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)cs1 ZINC001411227374 1198937940 /nfs/dbraw/zinc/93/79/40/1198937940.db2.gz XQHRFRUDEHAXOD-AWEZNQCLSA-N 2 0 340.537 2.278 10 0 EEAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000810133181 1199291251 /nfs/dbraw/zinc/29/12/51/1199291251.db2.gz CWETTWNDIVMZGY-RVKKMQEKSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3scnc32)C[C@H]1C[NH+](C)C ZINC000870017141 1200409678 /nfs/dbraw/zinc/40/96/78/1200409678.db2.gz HBUMCEJQNDWGSE-ZIAGYGMSSA-N 2 0 346.500 2.108 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2coc3ccccc23)C[C@H]1C[NH+](C)C ZINC000870020597 1200412098 /nfs/dbraw/zinc/41/20/98/1200412098.db2.gz DKVQNDZMLODRRT-HUUCEWRRSA-N 2 0 329.444 2.244 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\CCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870024742 1200414065 /nfs/dbraw/zinc/41/40/65/1200414065.db2.gz IIKHZKXKTFUPFQ-JORPEJITSA-N 2 0 343.515 2.373 10 0 EEAERP Cc1ccc([C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)[NH+]2CCCC2)o1 ZINC000870877564 1200926159 /nfs/dbraw/zinc/92/61/59/1200926159.db2.gz CJPYJRDFWATVPD-WUJZJPHMSA-N 2 0 331.460 2.373 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1 ZINC000880506772 1201507237 /nfs/dbraw/zinc/50/72/37/1201507237.db2.gz SRZADHPSWMQQJG-GGPKGHCWSA-N 2 0 345.487 2.097 10 0 EEAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(C)c1 ZINC000866411351 1201510414 /nfs/dbraw/zinc/51/04/14/1201510414.db2.gz KBIZICSEKNDZEC-IRXDYDNUSA-N 2 0 347.503 2.455 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)OCC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000867589426 1201639439 /nfs/dbraw/zinc/63/94/39/1201639439.db2.gz HAKLYHOJFPHXRU-IAGOWNOFSA-N 2 0 325.497 2.375 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000868234292 1201772255 /nfs/dbraw/zinc/77/22/55/1201772255.db2.gz MHFVRAHNANDWQR-FUHWJXTLSA-N 2 0 330.476 2.347 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868661351 1201854682 /nfs/dbraw/zinc/85/46/82/1201854682.db2.gz KZIYBQIJYNFPJR-OKZBNKHCSA-N 2 0 336.524 2.233 10 0 EEAERP COc1cc(C)cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1C ZINC000869236698 1201971169 /nfs/dbraw/zinc/97/11/69/1201971169.db2.gz HBEIEMAWAMTVTR-HNNXBMFYSA-N 2 0 335.492 2.314 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCOCC2)C1 ZINC001274005799 1204307811 /nfs/dbraw/zinc/30/78/11/1204307811.db2.gz AWPQCBFOCCKSGI-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCCO1 ZINC001274023818 1204329529 /nfs/dbraw/zinc/32/95/29/1204329529.db2.gz FMUDTJWHUDYTJX-WYIDIVSCSA-N 2 0 337.508 2.080 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001274252131 1204977210 /nfs/dbraw/zinc/97/72/10/1204977210.db2.gz SXCJMJFLXOQKLO-DLBZAZTESA-N 2 0 341.540 2.073 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001274608271 1205095799 /nfs/dbraw/zinc/09/57/99/1205095799.db2.gz DWFAJXFNSJBOLQ-QGZUEGPWSA-N 2 0 343.462 2.414 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001411806978 1205531678 /nfs/dbraw/zinc/53/16/78/1205531678.db2.gz LUKGVWUTYMCSKE-KBAYOESNSA-N 2 0 346.523 2.134 10 0 EEAERP CC[NH+]1CCC(C(=O)NCC2CC[NH+](C)CC2)(c2ccccc2)CC1 ZINC001412495687 1205740946 /nfs/dbraw/zinc/74/09/46/1205740946.db2.gz VHBCQCQURGKAOZ-UHFFFAOYSA-N 2 0 343.515 2.498 10 0 EEAERP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000924633613 1206007438 /nfs/dbraw/zinc/00/74/38/1206007438.db2.gz WHXHGHSSBBVMLV-AEFFLSMTSA-N 2 0 334.508 2.403 10 0 EEAERP O=C(c1ccccc1)N1CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925508422 1206121296 /nfs/dbraw/zinc/12/12/96/1206121296.db2.gz FPNIIUHOKWLLME-PXTPFGJHSA-N 2 0 339.483 2.125 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)ccn1 ZINC000925655575 1206140802 /nfs/dbraw/zinc/14/08/02/1206140802.db2.gz WJJRYITZSSSLON-PKOBYXMFSA-N 2 0 333.476 2.317 10 0 EEAERP O=C(/C=C\c1ccccc1)NCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925664825 1206141425 /nfs/dbraw/zinc/14/14/25/1206141425.db2.gz HBAMNSVAVBXCNY-LPADLIQXSA-N 2 0 327.472 2.470 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000925814433 1206156831 /nfs/dbraw/zinc/15/68/31/1206156831.db2.gz JJYVQYUDPPQQAK-INIZCTEOSA-N 2 0 338.293 2.449 10 0 EEAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925834851 1206158708 /nfs/dbraw/zinc/15/87/08/1206158708.db2.gz PBKDZQVBOSPRTK-BRWVUGGUSA-N 2 0 336.501 2.000 10 0 EEAERP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844435 1206159478 /nfs/dbraw/zinc/15/94/78/1206159478.db2.gz KSGNEFHOBNLXEN-PZJWPPBQSA-N 2 0 344.547 2.487 10 0 EEAERP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845405 1206159710 /nfs/dbraw/zinc/15/97/10/1206159710.db2.gz GQWMNSZKDJVEJT-QGZVFWFLSA-N 2 0 335.467 2.487 10 0 EEAERP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925845818 1206159741 /nfs/dbraw/zinc/15/97/41/1206159741.db2.gz RHWXFBCUHZUOBC-INIZCTEOSA-N 2 0 332.492 2.371 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1OC ZINC000925859459 1206162223 /nfs/dbraw/zinc/16/22/23/1206162223.db2.gz YNOHXTSWFYVCLT-ZFWWWQNUSA-N 2 0 348.443 2.040 10 0 EEAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)n1 ZINC000925872639 1206163238 /nfs/dbraw/zinc/16/32/38/1206163238.db2.gz IMTJPJJPGAKLJI-YIDVYQOGSA-N 2 0 334.464 2.015 10 0 EEAERP [NH3+]C1CCN(CCNC(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000926105241 1206192476 /nfs/dbraw/zinc/19/24/76/1206192476.db2.gz LKPJZMVOESELCX-UHFFFAOYSA-N 2 0 347.394 2.025 10 0 EEAERP C[N@@H+]1CCCC12CCN(C[C@@H](O)COc1ccc3cc[nH]c3c1)CC2 ZINC000930171993 1206539092 /nfs/dbraw/zinc/53/90/92/1206539092.db2.gz YIXUVKQWWKEXDO-QGZVFWFLSA-N 2 0 343.471 2.468 10 0 EEAERP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000931664078 1207435995 /nfs/dbraw/zinc/43/59/95/1207435995.db2.gz PLINEMQOPRALIL-DVESRUBUSA-N 2 0 345.487 2.193 10 0 EEAERP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000931664084 1207436113 /nfs/dbraw/zinc/43/61/13/1207436113.db2.gz PLINEMQOPRALIL-ZVBPTUHVSA-N 2 0 345.487 2.193 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)nc3)cn2)CC1 ZINC000778159473 1207746541 /nfs/dbraw/zinc/74/65/41/1207746541.db2.gz VHIBOOHEGWVXHO-UHFFFAOYSA-N 2 0 329.423 2.047 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001276333323 1215754092 /nfs/dbraw/zinc/75/40/92/1215754092.db2.gz QOAZVISZOSIDDT-UHFFFAOYSA-N 2 0 335.517 2.399 10 0 EEAERP C[C@@]12CN(C(=O)[C@]3(C)CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000720813171 1215907959 /nfs/dbraw/zinc/90/79/59/1215907959.db2.gz WGFXJNNEVBQQTO-CEWLAPEOSA-N 2 0 341.499 2.357 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900013962 1233974894 /nfs/dbraw/zinc/97/48/94/1233974894.db2.gz SUZQNTZDJGPFLO-FHWLQOOXSA-N 2 0 329.488 2.292 10 0 EEAERP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCOCC1 ZINC000902794461 1238546830 /nfs/dbraw/zinc/54/68/30/1238546830.db2.gz WHIGBNZQABKUPS-MSOLQXFVSA-N 2 0 339.524 2.005 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH+](CC(C)C)CC2)cc(Cl)n1 ZINC000827284035 1239194037 /nfs/dbraw/zinc/19/40/37/1239194037.db2.gz SXMVMUIOPYKHNW-HNNXBMFYSA-N 2 0 338.883 2.234 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000903434487 1240461599 /nfs/dbraw/zinc/46/15/99/1240461599.db2.gz FTJSITSTMYDIFH-GXTWGEPZSA-N 2 0 339.842 2.364 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000903442632 1240486302 /nfs/dbraw/zinc/48/63/02/1240486302.db2.gz VJVJDFDHPVHQPA-MCIONIFRSA-N 2 0 336.867 2.241 10 0 EEAERP c1ccc(-c2nnn(CCCCC[NH2+][C@H]3CC[NH2+]C34CCC4)n2)cc1 ZINC000903470851 1240573670 /nfs/dbraw/zinc/57/36/70/1240573670.db2.gz OFIFLPHPBCECLI-KRWDZBQOSA-N 2 0 340.475 2.385 10 0 EEAERP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496604 1240672996 /nfs/dbraw/zinc/67/29/96/1240672996.db2.gz VPHBWSUYDJFLRG-FXUDXRNXSA-N 2 0 333.476 2.178 10 0 EEAERP Cc1ccc(CN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000903496777 1240674203 /nfs/dbraw/zinc/67/42/03/1240674203.db2.gz CVATTYDFFRYQIR-SJLPKXTDSA-N 2 0 329.488 2.403 10 0 EEAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000903736973 1241778663 /nfs/dbraw/zinc/77/86/63/1241778663.db2.gz ODPSFUFDTPBTHB-XUVXKRRUSA-N 3 0 335.536 2.343 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])CN2CC[NH+](C3CCC(C)CC3)CC2)cnn1C ZINC000903892780 1242357854 /nfs/dbraw/zinc/35/78/54/1242357854.db2.gz MPQGRDLMMATKQL-IPCDKGFNSA-N 2 0 347.551 2.042 10 0 EEAERP CC(C)c1nc(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cs1 ZINC000903924530 1242518713 /nfs/dbraw/zinc/51/87/13/1242518713.db2.gz FNRWVVCOGBLLHL-CQSZACIVSA-N 2 0 334.493 2.115 10 0 EEAERP O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931220 1242549177 /nfs/dbraw/zinc/54/91/77/1242549177.db2.gz AWSOUNOAHXDYOH-ZNUQSRJQSA-N 2 0 339.483 2.223 10 0 EEAERP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956093 1242708882 /nfs/dbraw/zinc/70/88/82/1242708882.db2.gz GUPAPBJACNXEDL-NWDGAFQWSA-N 2 0 329.366 2.377 10 0 EEAERP c1[nH]nc(-c2ccccc2)c1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974571 1242810932 /nfs/dbraw/zinc/81/09/32/1242810932.db2.gz QTLQUFGUAMLVGU-KRWDZBQOSA-N 2 0 326.444 2.325 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935046 1248131670 /nfs/dbraw/zinc/13/16/70/1248131670.db2.gz SHLPQAVLIACMLL-ZFWWWQNUSA-N 2 0 338.883 2.424 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001491025319 1258582885 /nfs/dbraw/zinc/58/28/85/1258582885.db2.gz CITSVNAXZDFMDI-LSGCFHBLSA-N 2 0 325.884 2.383 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCF)[NH+]1CCCC1 ZINC001491236763 1258827673 /nfs/dbraw/zinc/82/76/73/1258827673.db2.gz OPQMJFMNSIBBHE-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001491297342 1258914428 /nfs/dbraw/zinc/91/44/28/1258914428.db2.gz HXHUGMYDOJELEX-WMZOPIPTSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN([C@H]3CCOC3)CC2)n(C)n1 ZINC000850554375 1277265795 /nfs/dbraw/zinc/26/57/95/1277265795.db2.gz CUTLYCMIPAJZOX-QRFRQXIXSA-N 2 0 346.519 2.283 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001489344589 1290529478 /nfs/dbraw/zinc/52/94/78/1290529478.db2.gz RKZUZGABMHOJFH-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001489311894 1290540869 /nfs/dbraw/zinc/54/08/69/1290540869.db2.gz ONTCYWQNBZIYKV-QAPCUYQASA-N 2 0 348.491 2.246 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001490311286 1291186861 /nfs/dbraw/zinc/18/68/61/1291186861.db2.gz HNWIHIKBLMTOJP-WMLDXEAASA-N 2 0 336.480 2.182 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1F ZINC001490708626 1291591643 /nfs/dbraw/zinc/59/16/43/1291591643.db2.gz CWXGPIFRRFHJTO-LIRRHRJNSA-N 2 0 347.478 2.460 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(C)n3)C2)ccn1 ZINC000856549464 1293564499 /nfs/dbraw/zinc/56/44/99/1293564499.db2.gz RTGBNLLEQVSVEP-LJQANCHMSA-N 2 0 341.459 2.285 10 0 EEAERP CCc1noc(C)c1C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548405 1301442340 /nfs/dbraw/zinc/44/23/40/1301442340.db2.gz OECSMUPPJQCJOA-CYBMUJFWSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001277149090 1301516012 /nfs/dbraw/zinc/51/60/12/1301516012.db2.gz ZDHHDHLIWJFABR-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](CCC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C1CC[NH+](C)CC1 ZINC001277291639 1302218695 /nfs/dbraw/zinc/21/86/95/1302218695.db2.gz RQUPSSWUPVDYGX-DOTOQJQBSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CCCCCF)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001277397741 1302845465 /nfs/dbraw/zinc/84/54/65/1302845465.db2.gz UYAOQIRXRBVQMK-GOSISDBHSA-N 2 0 339.499 2.391 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCF)[C@@H](c2ccccc2)C1 ZINC001277942288 1305214358 /nfs/dbraw/zinc/21/43/58/1305214358.db2.gz WYCUHDFGNQXYKK-OTWHNJEPSA-N 2 0 347.478 2.272 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001277947493 1305245386 /nfs/dbraw/zinc/24/53/86/1305245386.db2.gz MSCOWKBCDZZQRZ-AWEZNQCLSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278414596 1310158419 /nfs/dbraw/zinc/15/84/19/1310158419.db2.gz SFBMAFHGSKYKOE-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001278424757 1310207077 /nfs/dbraw/zinc/20/70/77/1310207077.db2.gz VSVCOHHZVAQQTF-QZTJIDSGSA-N 2 0 347.503 2.293 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001278585778 1317280099 /nfs/dbraw/zinc/28/00/99/1317280099.db2.gz OCCLZJNJRCQEKE-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCOCC1 ZINC001278728510 1317873274 /nfs/dbraw/zinc/87/32/74/1317873274.db2.gz OAHRBQFIWZVBMK-LLHWWHOWSA-N 2 0 349.519 2.084 10 0 EEAERP COCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001278995406 1318952652 /nfs/dbraw/zinc/95/26/52/1318952652.db2.gz GTXLAVYUQOMWBM-YESZJQIVSA-N 2 0 341.540 2.264 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264126433 1322635546 /nfs/dbraw/zinc/63/55/46/1322635546.db2.gz VBEAGEKKYFAXRR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001264439766 1322702478 /nfs/dbraw/zinc/70/24/78/1322702478.db2.gz ZTFBQOMBXAKSRX-QAQDUYKDSA-N 2 0 335.517 2.261 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)co1 ZINC001264517246 1322721520 /nfs/dbraw/zinc/72/15/20/1322721520.db2.gz CXLDFTWTTPMTPY-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C[NH2+]CCF)C1 ZINC001264567032 1322733560 /nfs/dbraw/zinc/73/35/60/1322733560.db2.gz QHZFLLUMLNKYNK-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001264994605 1322843190 /nfs/dbraw/zinc/84/31/90/1322843190.db2.gz CZZDHVQPHVTGTL-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265399472 1323131089 /nfs/dbraw/zinc/13/10/89/1323131089.db2.gz XBNGUGHAFJFDBG-KRWDZBQOSA-N 2 0 339.499 2.392 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001265636214 1323285748 /nfs/dbraw/zinc/28/57/48/1323285748.db2.gz FRVSTXSYJQBBML-VKFONMJVSA-N 2 0 327.900 2.442 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ncccc1C ZINC001265857694 1323431282 /nfs/dbraw/zinc/43/12/82/1323431282.db2.gz ITRUQXZNNCVTAU-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)Cc2cncs2)c1 ZINC001265978498 1323538360 /nfs/dbraw/zinc/53/83/60/1323538360.db2.gz ORZRDNSAYLFWLC-UHFFFAOYSA-N 2 0 346.500 2.457 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001265990619 1323549234 /nfs/dbraw/zinc/54/92/34/1323549234.db2.gz RZJCDCCEFNGDKD-QGZVFWFLSA-N 2 0 339.499 2.440 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001266031339 1323581814 /nfs/dbraw/zinc/58/18/14/1323581814.db2.gz APWQSORNQQCQIT-VQFGERMISA-N 2 0 329.488 2.480 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC001266068632 1323623029 /nfs/dbraw/zinc/62/30/29/1323623029.db2.gz RBFVMTPPEJIOJF-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001266170585 1323738873 /nfs/dbraw/zinc/73/88/73/1323738873.db2.gz WTFHYYJYJXQWQF-HKUYNNGSSA-N 2 0 347.503 2.343 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279588753 1323950263 /nfs/dbraw/zinc/95/02/63/1323950263.db2.gz UOWPOAIDRIHDSZ-FGTMMUONSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001280198699 1324110792 /nfs/dbraw/zinc/11/07/92/1324110792.db2.gz VVJQHHDEAAQNIP-SJLPKXTDSA-N 2 0 344.503 2.060 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCOC2CCC2)CC1)[NH+](C)C ZINC001281031603 1324730135 /nfs/dbraw/zinc/73/01/35/1324730135.db2.gz UELUDGFSMSKIQH-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001491603085 1330200835 /nfs/dbraw/zinc/20/08/35/1330200835.db2.gz QLYQUDNTHVKMGR-IAGOWNOFSA-N 2 0 332.492 2.249 10 0 EEAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001491873403 1330283490 /nfs/dbraw/zinc/28/34/90/1330283490.db2.gz FPMXDQGAPJOJOG-HUUCEWRRSA-N 2 0 339.505 2.087 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc3c(c2)COC3)C1 ZINC001491946656 1330337802 /nfs/dbraw/zinc/33/78/02/1330337802.db2.gz GSFCFMLVAFHPHP-IBGZPJMESA-N 2 0 345.487 2.091 10 0 EEAERP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001492256994 1331118020 /nfs/dbraw/zinc/11/80/20/1331118020.db2.gz JGHZOQCODHQCQY-VQIMIIECSA-N 2 0 329.488 2.446 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)c1 ZINC001492302996 1331142011 /nfs/dbraw/zinc/14/20/11/1331142011.db2.gz GQJXVJHJIGTZKD-PKOBYXMFSA-N 2 0 345.487 2.260 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]2C1 ZINC001316758512 1331876191 /nfs/dbraw/zinc/87/61/91/1331876191.db2.gz DWOMTAMAKMGSAR-MOPGFXCFSA-N 2 0 344.503 2.094 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001316800656 1331899608 /nfs/dbraw/zinc/89/96/08/1331899608.db2.gz YMOUOCNRPGQGCP-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](F)C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001316922130 1331988635 /nfs/dbraw/zinc/98/86/35/1331988635.db2.gz OJWJEXLHXKOOCY-OAHLLOKOSA-N 2 0 325.472 2.334 10 0 EEAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317088534 1332074676 /nfs/dbraw/zinc/07/46/76/1332074676.db2.gz RKVCPDILGDUFFV-MPGHIAIKSA-N 2 0 325.472 2.402 10 0 EEAERP CCOCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001317099429 1332078299 /nfs/dbraw/zinc/07/82/99/1332078299.db2.gz DGOHVUZJLBXMCF-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001317162987 1332106849 /nfs/dbraw/zinc/10/68/49/1332106849.db2.gz YBXCUMLZZDSVLI-SEJWUHKESA-N 2 0 327.900 2.299 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]CCC2CCOCC2)CCCC1)[NH+](C)C ZINC001318662895 1332573915 /nfs/dbraw/zinc/57/39/15/1332573915.db2.gz BWAUCTJYEUZNNQ-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2nccs2)CC1)[NH+](C)C ZINC001318897131 1332619969 /nfs/dbraw/zinc/61/99/69/1332619969.db2.gz XYMJDGVYICLKLU-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001319129776 1332653793 /nfs/dbraw/zinc/65/37/93/1332653793.db2.gz IHMYTNAJHROYFX-JKSUJKDBSA-N 2 0 343.462 2.488 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCCc1ccccc1 ZINC001319190032 1332662575 /nfs/dbraw/zinc/66/25/75/1332662575.db2.gz RNCKRYBYWZSJRD-YLJYHZDGSA-N 2 0 343.515 2.303 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001319470941 1332707397 /nfs/dbraw/zinc/70/73/97/1332707397.db2.gz AECSVVFEUVOKFE-CYBMUJFWSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001319541498 1332718291 /nfs/dbraw/zinc/71/82/91/1332718291.db2.gz UIPIDILPDIOJRA-IAGOWNOFSA-N 2 0 327.513 2.112 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319561599 1332721832 /nfs/dbraw/zinc/72/18/32/1332721832.db2.gz XXVSJPKLPLLOKB-CHWSQXEVSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001319667330 1332737702 /nfs/dbraw/zinc/73/77/02/1332737702.db2.gz FEHRMRMVEIWSIW-RDJZCZTQSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc2cccnc21)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320370997 1332869444 /nfs/dbraw/zinc/86/94/44/1332869444.db2.gz JBXOOZMXLHGQFP-YJBOKZPZSA-N 2 0 340.471 2.313 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1)[NH+]1CCCCCC1 ZINC001320562107 1332910590 /nfs/dbraw/zinc/91/05/90/1332910590.db2.gz IFIRNCDPRQWQPI-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322373589 1333255814 /nfs/dbraw/zinc/25/58/14/1333255814.db2.gz YNVARAHIJRHQNJ-MOPGFXCFSA-N 2 0 347.503 2.273 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322738288 1333317509 /nfs/dbraw/zinc/31/75/09/1333317509.db2.gz MWBGELNCCLVHTJ-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001322792638 1333327403 /nfs/dbraw/zinc/32/74/03/1333327403.db2.gz KFEYVGIBOBZPKS-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCOc1ccccc1)C1CC1 ZINC001323022005 1333370914 /nfs/dbraw/zinc/37/09/14/1333370914.db2.gz HTFUVSQYAUIQFP-RBUKOAKNSA-N 2 0 345.487 2.034 10 0 EEAERP CC(C)(C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1)[NH+]1CCCC1 ZINC001323051983 1333375879 /nfs/dbraw/zinc/37/58/79/1333375879.db2.gz QODGIJCMBWUCFG-CYBMUJFWSA-N 2 0 335.414 2.298 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCc1ccccc1 ZINC001323198810 1333409704 /nfs/dbraw/zinc/40/97/04/1333409704.db2.gz KODUOKOREQFJEC-OALUTQOASA-N 2 0 329.488 2.294 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001324097765 1333608584 /nfs/dbraw/zinc/60/85/84/1333608584.db2.gz MXVFKVZQXCEAGE-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001326223270 1334046845 /nfs/dbraw/zinc/04/68/45/1334046845.db2.gz HHLDRBARRYVHCI-RTBURBONSA-N 2 0 329.488 2.417 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C)nc2C)C1)[NH+](C)C ZINC001326412409 1334088383 /nfs/dbraw/zinc/08/83/83/1334088383.db2.gz SKTWODAOXKDRJT-MJGOQNOKSA-N 2 0 346.519 2.367 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327082389 1334217922 /nfs/dbraw/zinc/21/79/22/1334217922.db2.gz SEAVYCFTOYXETR-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](CCOCC2CC2)CC1)C12CCC[NH+]1CCC2 ZINC001327132407 1334230203 /nfs/dbraw/zinc/23/02/03/1334230203.db2.gz YZJYVODZAZXPNI-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](CCOCC2CC2)CC1)C12CCC[NH+]1CCC2 ZINC001327132411 1334230714 /nfs/dbraw/zinc/23/07/14/1334230714.db2.gz YZJYVODZAZXPNI-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001327901866 1334361631 /nfs/dbraw/zinc/36/16/31/1334361631.db2.gz KYBFTRMJTDEUDR-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001328097648 1334395475 /nfs/dbraw/zinc/39/54/75/1334395475.db2.gz HAWREYWSSDWUKD-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[N@H+](CCCCCF)CC2(C)C)CCC1 ZINC001330209197 1334804289 /nfs/dbraw/zinc/80/42/89/1334804289.db2.gz IKUUUMMCCIYPEB-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001330400783 1334835993 /nfs/dbraw/zinc/83/59/93/1334835993.db2.gz DWRSADPBMLBVQX-QZTJIDSGSA-N 2 0 349.519 2.034 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001330400790 1334836012 /nfs/dbraw/zinc/83/60/12/1334836012.db2.gz DWRSADPBMLBVQX-ROUUACIJSA-N 2 0 349.519 2.034 10 0 EEAERP Cc1c(C(=O)N(C)C[C@@H](C)[NH2+]CCOCC(C)C)ccc2c[nH+]cn21 ZINC001331491485 1335022987 /nfs/dbraw/zinc/02/29/87/1335022987.db2.gz OHHUUKAOPKHDGE-OAHLLOKOSA-N 2 0 346.475 2.365 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001331996668 1335699730 /nfs/dbraw/zinc/69/97/30/1335699730.db2.gz NEJIYMBGYVHUPJ-DLBZAZTESA-N 2 0 345.487 2.129 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCCc3ccsc3)C(C)(C)C2)C1 ZINC001332440765 1335824798 /nfs/dbraw/zinc/82/47/98/1335824798.db2.gz ASOQHBPLKJOJCU-IRXDYDNUSA-N 2 0 349.544 2.459 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000849094619 1338838243 /nfs/dbraw/zinc/83/82/43/1338838243.db2.gz DKZWTWMLNQGBNZ-WMZOPIPTSA-N 2 0 332.492 2.185 10 0 EEAERP CC[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](C)[NH+](C)C ZINC001434631728 1341891667 /nfs/dbraw/zinc/89/16/67/1341891667.db2.gz JYUZXUDLMQJIAR-YVSFHVDLSA-N 2 0 348.539 2.415 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1Cc1cc2ccccc2o1)C(=O)CC[NH+](C)C ZINC001436320132 1342024525 /nfs/dbraw/zinc/02/45/25/1342024525.db2.gz PHRJWEVBOSAESW-MRXNPFEDSA-N 2 0 329.444 2.417 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001500347434 1342175592 /nfs/dbraw/zinc/17/55/92/1342175592.db2.gz GDYBPNOKFIMSRF-QFBILLFUSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001673342829 1356670523 /nfs/dbraw/zinc/67/05/23/1356670523.db2.gz RGDUCMSCQAJYCR-LJQANCHMSA-N 2 0 345.487 2.145 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001673985717 1356767959 /nfs/dbraw/zinc/76/79/59/1356767959.db2.gz PAQYGGNSFSJPFO-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938217 1342482648 /nfs/dbraw/zinc/48/26/48/1342482648.db2.gz HANOGILGHPAGFJ-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001566613800 1342580455 /nfs/dbraw/zinc/58/04/55/1342580455.db2.gz QJUHVOXYDLGUKM-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC[C@H]1CCOC1 ZINC001567016614 1342679751 /nfs/dbraw/zinc/67/97/51/1342679751.db2.gz JMVFXRJQMXIDSR-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001567522762 1342777625 /nfs/dbraw/zinc/77/76/25/1342777625.db2.gz FMAVVFUZKKFCCA-UHFFFAOYSA-N 2 0 337.427 2.208 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1 ZINC001569736029 1342936586 /nfs/dbraw/zinc/93/65/86/1342936586.db2.gz NSCGOXVUBHZNQY-UHFFFAOYSA-N 2 0 337.508 2.082 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001569995378 1342993323 /nfs/dbraw/zinc/99/33/23/1342993323.db2.gz SSATUACWRJTRKP-SBJJXXPASA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)OCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001570897204 1343134585 /nfs/dbraw/zinc/13/45/85/1343134585.db2.gz OXBLJXBVTNPVHV-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](CCOCC2CC2)CC1 ZINC001571700409 1343281072 /nfs/dbraw/zinc/28/10/72/1343281072.db2.gz BMDLMYJVPXBDKR-IRXDYDNUSA-N 2 0 349.519 2.034 10 0 EEAERP CCOCCC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001677334912 1357315945 /nfs/dbraw/zinc/31/59/45/1357315945.db2.gz KDJNFGAQHWNWHA-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC[NH+](CCCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001623325755 1352394891 /nfs/dbraw/zinc/39/48/91/1352394891.db2.gz STIDQRGVKLLJFU-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CCNc1cc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccn1 ZINC001650536203 1353978488 /nfs/dbraw/zinc/97/84/88/1353978488.db2.gz NWYBISMVSZAJOM-CABCVRRESA-N 2 0 333.480 2.433 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC3CCC(C)([NH+]4CCC4)CC3)[C@@H]2C1 ZINC001650546706 1353984415 /nfs/dbraw/zinc/98/44/15/1353984415.db2.gz CHSXOCMWMFIWJZ-BVOGREQHSA-N 2 0 334.508 2.033 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001656139192 1354207393 /nfs/dbraw/zinc/20/73/93/1354207393.db2.gz BJISKPCOVHOEDV-ZMMAXQRCSA-N 2 0 349.519 2.057 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001657007206 1354309495 /nfs/dbraw/zinc/30/94/95/1354309495.db2.gz LZHWIZOVHQDIKM-SQNIBIBYSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC001660333761 1354442453 /nfs/dbraw/zinc/44/24/53/1354442453.db2.gz LHQPMDUNOMWAOH-GOSISDBHSA-N 2 0 347.503 2.227 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC001660400427 1354457966 /nfs/dbraw/zinc/45/79/66/1354457966.db2.gz TVOAWGHMGJTFDB-YJBOKZPZSA-N 2 0 333.451 2.203 10 0 EEAERP Cc1ncc(C[NH+](C)CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC001660408736 1354459004 /nfs/dbraw/zinc/45/90/04/1354459004.db2.gz MRLAUVXHENKUNV-OKILXGFUSA-N 2 0 338.521 2.262 10 0 EEAERP CC[C@@H](F)C[N@H+](CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660546110 1354486712 /nfs/dbraw/zinc/48/67/12/1354486712.db2.gz SJRHQXNJTOUKNT-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccccc1OCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001660971188 1354567214 /nfs/dbraw/zinc/56/72/14/1354567214.db2.gz QTDZHQFNPQWSOG-ZWKOTPCHSA-N 2 0 345.487 2.049 10 0 EEAERP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001661072701 1354585658 /nfs/dbraw/zinc/58/56/58/1354585658.db2.gz CIAAEZOMBPHEKX-SFHVURJKSA-N 2 0 349.519 2.034 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCCC(F)(F)F)C2)CC1 ZINC001662680425 1354825268 /nfs/dbraw/zinc/82/52/68/1354825268.db2.gz NZTLKKGJCAYBOX-CQSZACIVSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1cnc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001663072371 1354908564 /nfs/dbraw/zinc/90/85/64/1354908564.db2.gz RUGWCCXZWXXEHN-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663493086 1354971433 /nfs/dbraw/zinc/97/14/33/1354971433.db2.gz LLRSYRCXRGGIQB-ZWKOTPCHSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001664186335 1355110202 /nfs/dbraw/zinc/11/02/02/1355110202.db2.gz MPPLZWXVSMTHMZ-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP CCc1nocc1C[NH2+]CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001664253227 1355122971 /nfs/dbraw/zinc/12/29/71/1355122971.db2.gz SAMNKQYWNLHHOQ-UHFFFAOYSA-N 2 0 344.459 2.160 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001664309085 1355135331 /nfs/dbraw/zinc/13/53/31/1355135331.db2.gz FPWUOBASSKZJNI-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCc2cccs2)CCCC1 ZINC001665964246 1355416715 /nfs/dbraw/zinc/41/67/15/1355416715.db2.gz QXKPASQOFFIAJZ-UHFFFAOYSA-N 2 0 335.517 2.405 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001666120293 1355457998 /nfs/dbraw/zinc/45/79/98/1355457998.db2.gz RCFKSTHXXNJBOI-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001666240205 1355492993 /nfs/dbraw/zinc/49/29/93/1355492993.db2.gz JNTJZIUBMVQPGY-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667301746 1355703630 /nfs/dbraw/zinc/70/36/30/1355703630.db2.gz JLWQXRRUSUFKDU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667307225 1355706081 /nfs/dbraw/zinc/70/60/81/1355706081.db2.gz SJEPTYPLVORNJQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001668086773 1355866312 /nfs/dbraw/zinc/86/63/12/1355866312.db2.gz JEFCHLFSFZKWKX-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001668112618 1355874437 /nfs/dbraw/zinc/87/44/37/1355874437.db2.gz IIUZCHMRJTZABH-CRAIPNDOSA-N 2 0 333.476 2.164 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668113366 1355875245 /nfs/dbraw/zinc/87/52/45/1355875245.db2.gz VSCSHHSOGZDNMW-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CC[NH+]1CCCCC1 ZINC001668320331 1355922812 /nfs/dbraw/zinc/92/28/12/1355922812.db2.gz PGEIFEXTWLVJQD-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834192 1356016525 /nfs/dbraw/zinc/01/65/25/1356016525.db2.gz SQJXVEGSSGMCJI-AUKPOOJJSA-N 2 0 345.487 2.358 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669292221 1356141243 /nfs/dbraw/zinc/14/12/43/1356141243.db2.gz AIOCATRDBJMQFJ-HPWWWVCSSA-N 2 0 327.472 2.136 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001669715947 1356198604 /nfs/dbraw/zinc/19/86/04/1356198604.db2.gz PDXPSKHQCFIHQJ-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671368817 1356332103 /nfs/dbraw/zinc/33/21/03/1356332103.db2.gz MNKGCSAVCVZMEC-QGZVFWFLSA-N 2 0 332.492 2.203 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001671720949 1356402795 /nfs/dbraw/zinc/40/27/95/1356402795.db2.gz WDPIDJWDUPIUQK-WFASDCNBSA-N 2 0 334.291 2.228 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@](C)(C[NH2+]C/C=C/Cl)C2)CC1 ZINC001671794860 1356416237 /nfs/dbraw/zinc/41/62/37/1356416237.db2.gz HHWUZHRVEGESBT-OPQSBORISA-N 2 0 327.900 2.299 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672529292 1356545622 /nfs/dbraw/zinc/54/56/22/1356545622.db2.gz CFSLSZLKDJKONW-OKZBNKHCSA-N 2 0 339.524 2.207 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001672839450 1356597200 /nfs/dbraw/zinc/59/72/00/1356597200.db2.gz MUGHGOSWVFJVRX-NVXWUHKLSA-N 2 0 335.517 2.213 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C)ns2)C1)[NH+](C)C ZINC001672897981 1356609912 /nfs/dbraw/zinc/60/99/12/1356609912.db2.gz YYRKHPNXDRLGPC-GDBMZVCRSA-N 2 0 338.521 2.120 10 0 EEAERP CCC1([NH2+]CCCOC(C)C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001673626085 1356719535 /nfs/dbraw/zinc/71/95/35/1356719535.db2.gz YSHRYPMCOKNWEZ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC)CC1(C)C ZINC001674017472 1356774675 /nfs/dbraw/zinc/77/46/75/1356774675.db2.gz DKHJANTYKNMULW-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001674034263 1356780150 /nfs/dbraw/zinc/78/01/50/1356780150.db2.gz ROXIGMILBSCRIN-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001674392865 1356826510 /nfs/dbraw/zinc/82/65/10/1356826510.db2.gz DJEOOHHAVVIYHA-QAETUUGQSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC001674554393 1356857715 /nfs/dbraw/zinc/85/77/15/1356857715.db2.gz HWNUQOZIOAOHQZ-CTWPCTMYSA-N 2 0 329.488 2.198 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1CC=CC1 ZINC001675927570 1357071697 /nfs/dbraw/zinc/07/16/97/1357071697.db2.gz LCJJKUNGKGDNJP-GOSISDBHSA-N 2 0 336.524 2.400 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C\c1ccccc1 ZINC001698748552 1405042331 /nfs/dbraw/zinc/04/23/31/1405042331.db2.gz NSDNLYDTKFPQJG-REAYAIGQSA-N 2 0 341.499 2.384 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001698771787 1405052324 /nfs/dbraw/zinc/05/23/24/1405052324.db2.gz QDVRXYSYQAFBFV-OLZOCXBDSA-N 2 0 348.318 2.008 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699540026 1405378996 /nfs/dbraw/zinc/37/89/96/1405378996.db2.gz YBVUURREPJUCSR-GJZGRUSLSA-N 2 0 336.505 2.098 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001699839895 1405519845 /nfs/dbraw/zinc/51/98/45/1405519845.db2.gz YNRMSKNWSQNNBP-XNHCWWPPSA-N 2 0 327.900 2.440 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cccc(Br)n2)C[C@H]1C[NH+](C)C ZINC000705945935 784831766 /nfs/dbraw/zinc/83/17/66/784831766.db2.gz YSHUZRCHIOAPMD-CHWSQXEVSA-N 2 0 341.297 2.020 10 0 EEAERP C[NH+](C)CCn1nccc1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908442007 785416311 /nfs/dbraw/zinc/41/63/11/785416311.db2.gz HLCVUAPHZQEGMX-UHFFFAOYSA-N 2 0 340.431 2.301 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711249034 788561241 /nfs/dbraw/zinc/56/12/41/788561241.db2.gz KEECKTQAPOHNPQ-BPQIPLTHSA-N 2 0 329.488 2.401 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)N1CC[NH+](C)CC1 ZINC000921520250 788818723 /nfs/dbraw/zinc/81/87/23/788818723.db2.gz HHESERVLZPAIFP-IBGZPJMESA-N 2 0 347.551 2.439 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844315599 789019543 /nfs/dbraw/zinc/01/95/43/789019543.db2.gz ABOVPFPSCFFXGH-MNEFBYGVSA-N 2 0 343.471 2.470 10 0 EEAERP CSc1cccc(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923455973 789571760 /nfs/dbraw/zinc/57/17/60/789571760.db2.gz BQQCHRUPWXJMKB-OAHLLOKOSA-N 2 0 349.500 2.177 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923490759 789660553 /nfs/dbraw/zinc/66/05/53/789660553.db2.gz OUUJUKAYDMLGIL-JQBGGFSTSA-N 2 0 332.444 2.168 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000921981279 798551295 /nfs/dbraw/zinc/55/12/95/798551295.db2.gz RSHGQBJDIIZQPT-IBGZPJMESA-N 2 0 346.450 2.099 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000922336375 800683434 /nfs/dbraw/zinc/68/34/34/800683434.db2.gz XYNGBOQADCVEMY-KPFFTGBYSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000922416743 801028068 /nfs/dbraw/zinc/02/80/68/801028068.db2.gz JLYXHDUTXLNYIA-LAQRGFTBSA-N 2 0 332.492 2.378 10 0 EEAERP CC(C)[C@H](C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773087 808209530 /nfs/dbraw/zinc/20/95/30/808209530.db2.gz OSAPUQSHIUSEKC-DLBZAZTESA-N 2 0 326.481 2.149 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000808454627 812645693 /nfs/dbraw/zinc/64/56/93/812645693.db2.gz RXRYHRJMNZNYTN-PKOBYXMFSA-N 2 0 336.395 2.160 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC4CC4)[C@H]3C2(C)C)CC1 ZINC001436438342 1087825007 /nfs/dbraw/zinc/82/50/07/1087825007.db2.gz CVWFAVZFMVBYFL-BRWVUGGUSA-N 2 0 333.520 2.343 10 0 EEAERP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001436481594 1087964053 /nfs/dbraw/zinc/96/40/53/1087964053.db2.gz OCHYXMXBTVDWTB-NZSAHSFTSA-N 2 0 347.503 2.295 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001436934192 1088605795 /nfs/dbraw/zinc/60/57/95/1088605795.db2.gz HAUKWENQTVCLAV-KZNAEPCWSA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437014236 1088795732 /nfs/dbraw/zinc/79/57/32/1088795732.db2.gz SQIICORYIKKQFY-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001437124561 1089106152 /nfs/dbraw/zinc/10/61/52/1089106152.db2.gz NQDQOVJTDKRTPK-ABAIWWIYSA-N 2 0 327.831 2.168 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001437131309 1089119540 /nfs/dbraw/zinc/11/95/40/1089119540.db2.gz VTOKZEWPQIVWGB-WFASDCNBSA-N 2 0 325.403 2.313 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001437217673 1089299967 /nfs/dbraw/zinc/29/99/67/1089299967.db2.gz VWVARWCKUAEQMH-RHSMWYFYSA-N 2 0 336.455 2.078 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437397573 1089656971 /nfs/dbraw/zinc/65/69/71/1089656971.db2.gz NJYDMHJOLLHGLD-MRXNPFEDSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nc(C[NH+]2CC[C@@H](CCNC(=O)[C@@H]3CCCC[N@H+]3C)C2)oc1C ZINC001437925765 1090518883 /nfs/dbraw/zinc/51/88/83/1090518883.db2.gz BLKYLSHJSJUKCL-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)c1ccc(C[NH+]2CC(CNC(=O)Cc3cncn3C)C2)cc1 ZINC001438161788 1090675158 /nfs/dbraw/zinc/67/51/58/1090675158.db2.gz PWGGLXZQJAKQLR-UHFFFAOYSA-N 2 0 340.471 2.334 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001438263554 1090744826 /nfs/dbraw/zinc/74/48/26/1090744826.db2.gz GREGYZLQUXXKDG-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1conc1C ZINC001438337507 1090812934 /nfs/dbraw/zinc/81/29/34/1090812934.db2.gz CQHVXAHURSTBHC-DOTOQJQBSA-N 2 0 336.480 2.232 10 0 EEAERP COc1cccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001438429902 1090928495 /nfs/dbraw/zinc/92/84/95/1090928495.db2.gz WHPZBNPMPUHQFQ-UZLBHIALSA-N 2 0 345.487 2.021 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccccn3)CCCC2)CC[N@@H+]1C ZINC001438595349 1091084169 /nfs/dbraw/zinc/08/41/69/1091084169.db2.gz KNFYSRWXOQTSQX-ZWKOTPCHSA-N 2 0 344.503 2.331 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438736552 1091283815 /nfs/dbraw/zinc/28/38/15/1091283815.db2.gz REDHIGYLCOAVAB-FUHWJXTLSA-N 2 0 335.467 2.398 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccns1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438740821 1091293223 /nfs/dbraw/zinc/29/32/23/1091293223.db2.gz HVRYBTOAXBIPOC-CABCVRRESA-N 2 0 338.521 2.105 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001438764523 1091338103 /nfs/dbraw/zinc/33/81/03/1091338103.db2.gz FCNLJWPQIJJRPX-QAPCUYQASA-N 2 0 335.467 2.493 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001445645287 1091435642 /nfs/dbraw/zinc/43/56/42/1091435642.db2.gz AGGGASMYSTYKHP-KXBFYZLASA-N 2 0 333.451 2.236 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445646668 1091437069 /nfs/dbraw/zinc/43/70/69/1091437069.db2.gz LRMMZBSKHALMGP-DOTOQJQBSA-N 2 0 346.519 2.450 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2coc(C)n2)C1 ZINC001438852587 1091488380 /nfs/dbraw/zinc/48/83/80/1091488380.db2.gz RDSCJROMYQSFKM-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CN(C)Cc1cnn(C(C)(C)C)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445773306 1091636134 /nfs/dbraw/zinc/63/61/34/1091636134.db2.gz UDVHZRWWOKVEBK-NVXWUHKLSA-N 2 0 349.523 2.059 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ocnc1C ZINC001439414958 1092183520 /nfs/dbraw/zinc/18/35/20/1092183520.db2.gz CRUIWHVIRMESFC-HOTGVXAUSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(C)c1 ZINC001439446048 1092209588 /nfs/dbraw/zinc/20/95/88/1092209588.db2.gz INYAKAITMPFPLE-MOPGFXCFSA-N 2 0 329.488 2.382 10 0 EEAERP Cc1cccc(CCC[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001439572878 1092463656 /nfs/dbraw/zinc/46/36/56/1092463656.db2.gz SZVHYLISFUEHAS-IBGZPJMESA-N 2 0 329.488 2.214 10 0 EEAERP Cc1nc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)co1 ZINC001439883126 1092933897 /nfs/dbraw/zinc/93/38/97/1092933897.db2.gz FPDHTAMVIJMLBA-IEBWSBKVSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001440116621 1093177886 /nfs/dbraw/zinc/17/78/86/1093177886.db2.gz FYCBJYVNCOVNQO-AEFFLSMTSA-N 2 0 332.492 2.057 10 0 EEAERP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001440192910 1093257446 /nfs/dbraw/zinc/25/74/46/1093257446.db2.gz SXIXNSYYLSHAAH-HXUWFJFHSA-N 2 0 347.503 2.105 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2coc(C3CC3)n2)C1)[NH+](C)C ZINC001448501129 1093528450 /nfs/dbraw/zinc/52/84/50/1093528450.db2.gz JJASNLRUJCOWJG-QRTARXTBSA-N 2 0 348.491 2.123 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC001440405712 1093596341 /nfs/dbraw/zinc/59/63/41/1093596341.db2.gz SPRKOOGLPFDUBL-LZLYRXPVSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ccc(C[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(C)n1 ZINC001440465523 1093688307 /nfs/dbraw/zinc/68/83/07/1093688307.db2.gz XBFMLCSMEYCXAQ-MRXNPFEDSA-N 2 0 346.519 2.321 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001440466373 1093689315 /nfs/dbraw/zinc/68/93/15/1093689315.db2.gz RVJAIABCYHRSCI-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448649407 1093714092 /nfs/dbraw/zinc/71/40/92/1093714092.db2.gz IHRCGYAPAHOBRN-UKRRQHHQSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001448649415 1093714724 /nfs/dbraw/zinc/71/47/24/1093714724.db2.gz IHRCGYAPAHOBRN-ZFWWWQNUSA-N 2 0 338.521 2.261 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001440543557 1093812041 /nfs/dbraw/zinc/81/20/41/1093812041.db2.gz OPVYOXZOAHOJCD-IEBWSBKVSA-N 2 0 339.499 2.391 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001448759765 1093831299 /nfs/dbraw/zinc/83/12/99/1093831299.db2.gz HRPOIYSRCIQFMB-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001440594195 1093858654 /nfs/dbraw/zinc/85/86/54/1093858654.db2.gz SYSWGKDVMCQELL-BEFAXECRSA-N 2 0 346.519 2.402 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC2CCCCC2)cc1 ZINC001448914505 1093944209 /nfs/dbraw/zinc/94/42/09/1093944209.db2.gz DFNALAOMXQIVQH-IBGZPJMESA-N 2 0 347.503 2.009 10 0 EEAERP COc1cc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)ccc1C ZINC001448987372 1093989628 /nfs/dbraw/zinc/98/96/28/1093989628.db2.gz RQGJNLMAXUEQHH-WBVHZDCISA-N 2 0 333.476 2.034 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(Cc2ccc(F)cn2)[C@H]1C ZINC001449024791 1094031214 /nfs/dbraw/zinc/03/12/14/1094031214.db2.gz FXSYQYUILSUUSN-YOEHRIQHSA-N 2 0 336.455 2.030 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001440800043 1094043764 /nfs/dbraw/zinc/04/37/64/1094043764.db2.gz MMSNYLVMEYSFTG-JKSUJKDBSA-N 2 0 341.540 2.264 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H](Cc2ccccc2)[NH2+]CCF)CC[N@@H+]1C ZINC001449032917 1094044781 /nfs/dbraw/zinc/04/47/81/1094044781.db2.gz RJCOSIKVFKWUCA-WDSOQIARSA-N 2 0 349.494 2.393 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCc2ccccc2F)C(C)(C)C1 ZINC001449086368 1094099798 /nfs/dbraw/zinc/09/97/98/1094099798.db2.gz BGZSCXUTRGECOZ-KRWDZBQOSA-N 2 0 335.467 2.147 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CCc3cccs3)C(C)(C)C2)CC1 ZINC001449091138 1094102710 /nfs/dbraw/zinc/10/27/10/1094102710.db2.gz IHEAKJZWTFHEDP-INIZCTEOSA-N 2 0 349.544 2.459 10 0 EEAERP CN(CC(C)(C)C[NH2+]C/C(Cl)=C\Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001440886160 1094144312 /nfs/dbraw/zinc/14/43/12/1094144312.db2.gz QLRKUBXUCHILQD-MDWZMJQESA-N 2 0 348.318 2.475 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2nccs2)CCCCC1 ZINC001441107095 1094416845 /nfs/dbraw/zinc/41/68/45/1094416845.db2.gz HJCFINBJTVDALY-AWEZNQCLSA-N 2 0 336.505 2.146 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccnc1)C1CC1)[NH+]1CCCC1 ZINC001441294102 1094731304 /nfs/dbraw/zinc/73/13/04/1094731304.db2.gz HLLGVQOFUAHWOP-OALUTQOASA-N 2 0 344.503 2.186 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001441337096 1094815462 /nfs/dbraw/zinc/81/54/62/1094815462.db2.gz HWHPCAAMHWSWSE-FGTMMUONSA-N 2 0 344.503 2.140 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001441463550 1095120457 /nfs/dbraw/zinc/12/04/57/1095120457.db2.gz DPWAVXFRNMSNLB-IEBWSBKVSA-N 2 0 329.488 2.355 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001441871125 1095985009 /nfs/dbraw/zinc/98/50/09/1095985009.db2.gz LWSFYODPHADXHR-PJYQYBKYSA-N 2 0 327.900 2.297 10 0 EEAERP CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001441878221 1096002520 /nfs/dbraw/zinc/00/25/20/1096002520.db2.gz RMCAJTPQIDSCJH-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001442147906 1096398072 /nfs/dbraw/zinc/39/80/72/1096398072.db2.gz MTVRWTWNZSTVIA-CVEARBPZSA-N 2 0 338.496 2.198 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001442243591 1096545122 /nfs/dbraw/zinc/54/51/22/1096545122.db2.gz OTFOLBJMYHHNJJ-ZFWWWQNUSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC001442813264 1097198916 /nfs/dbraw/zinc/19/89/16/1097198916.db2.gz HZQDXRZLUPCVAX-YOEHRIQHSA-N 2 0 335.517 2.479 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443873465 1098399256 /nfs/dbraw/zinc/39/92/56/1098399256.db2.gz FGODNUQKVYMUPN-IBGZPJMESA-N 2 0 331.504 2.492 10 0 EEAERP CCN(C(=O)Cn1ccnc1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001443883887 1098410360 /nfs/dbraw/zinc/41/03/60/1098410360.db2.gz VGGKYTLWISUGDC-IBGZPJMESA-N 2 0 340.471 2.439 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1OC1CC1 ZINC001444031037 1098550152 /nfs/dbraw/zinc/55/01/52/1098550152.db2.gz DGRDPTAXLWCOSM-IAGOWNOFSA-N 2 0 345.487 2.164 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001444036265 1098555929 /nfs/dbraw/zinc/55/59/29/1098555929.db2.gz KKSIRQZOFHTAIG-KGLIPLIRSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1sc(C)nc1C ZINC001444038232 1098558111 /nfs/dbraw/zinc/55/81/11/1098558111.db2.gz ORZZUEVWMDOQEV-GJZGRUSLSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522130 1098588580 /nfs/dbraw/zinc/58/85/80/1098588580.db2.gz KIBPXZKUQLESQW-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001479528212 1098595338 /nfs/dbraw/zinc/59/53/38/1098595338.db2.gz KNVOWPPFWDDUSH-AEFFLSMTSA-N 2 0 349.523 2.075 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cnccc1C ZINC001479640837 1098670049 /nfs/dbraw/zinc/67/00/49/1098670049.db2.gz AFNGYSPNDCNQMC-ZWKOTPCHSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001444325530 1098888469 /nfs/dbraw/zinc/88/84/69/1098888469.db2.gz ONDNMCANBVILMK-INIZCTEOSA-N 2 0 344.503 2.108 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCOC1CCCCCC1 ZINC001479762006 1098923933 /nfs/dbraw/zinc/92/39/33/1098923933.db2.gz FTGPAPKAFYAQRM-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccccn1)C1CC1 ZINC001479870314 1099214293 /nfs/dbraw/zinc/21/42/93/1099214293.db2.gz CSYOOJKVWQELLX-GOSISDBHSA-N 2 0 330.476 2.037 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)[NH+]1CCCC1 ZINC001479986965 1099447107 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1114081662 /nfs/dbraw/zinc/08/16/62/1114081662.db2.gz XWPZGRRGGIFTAI-ZIAGYGMSSA-N 2 0 338.521 2.390 10 0 EEAERP COc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)ccc1C ZINC001505678147 1114126006 /nfs/dbraw/zinc/12/60/06/1114126006.db2.gz LOUVGDCUSDZDEF-CVEARBPZSA-N 2 0 347.503 2.328 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001505681100 1114128168 /nfs/dbraw/zinc/12/81/68/1114128168.db2.gz JCSNBRSEVMPATI-GJZGRUSLSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505685627 1114130283 /nfs/dbraw/zinc/13/02/83/1114130283.db2.gz IGDFPMDHMMUMJY-NEPJUHHUSA-N 2 0 329.847 2.414 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001505923305 1114279232 /nfs/dbraw/zinc/27/92/32/1114279232.db2.gz ZDXJMIUAGUTMOT-AYOQOUSVSA-N 2 0 347.503 2.362 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CCC3CCCC3)C[C@H]21)C1CCC1 ZINC001506788871 1114882717 /nfs/dbraw/zinc/88/27/17/1114882717.db2.gz HLGMLPVAKNLYIM-LDLYASANSA-N 2 0 333.520 2.345 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001506856298 1114921412 /nfs/dbraw/zinc/92/14/12/1114921412.db2.gz QCMLLEKVUVBHDU-HKUYNNGSSA-N 2 0 347.503 2.041 10 0 EEAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCCCF ZINC001507091742 1115103754 /nfs/dbraw/zinc/10/37/54/1115103754.db2.gz XZYCWBNOOUWZMS-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001507127867 1115122661 /nfs/dbraw/zinc/12/26/61/1115122661.db2.gz RZIOCCOTKRNOKR-HZPDHXFCSA-N 2 0 349.523 2.260 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCOCC2)[C@@H]1C ZINC001507291938 1115176945 /nfs/dbraw/zinc/17/69/45/1115176945.db2.gz GNCSVJMLUBXTFB-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001507292431 1115177389 /nfs/dbraw/zinc/17/73/89/1115177389.db2.gz JJMGNLXLSXHNQW-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)CN1C(=O)CCCC[NH+](C)C ZINC001507329070 1115195675 /nfs/dbraw/zinc/19/56/75/1115195675.db2.gz TVKVNHDHYMETEB-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508019684 1115389696 /nfs/dbraw/zinc/38/96/96/1115389696.db2.gz CUMVKNIKVPRFDT-SJORKVTESA-N 2 0 341.540 2.406 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001508035462 1115397623 /nfs/dbraw/zinc/39/76/23/1115397623.db2.gz HEHAZIZJQAVCRU-UKRRQHHQSA-N 2 0 345.478 2.494 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C(Cl)=C\Cl)C1 ZINC001508141712 1115426836 /nfs/dbraw/zinc/42/68/36/1115426836.db2.gz SAKXBIFHRMZITA-BEFFRFMPSA-N 2 0 334.291 2.226 10 0 EEAERP CC(C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001541362668 1124103578 /nfs/dbraw/zinc/10/35/78/1124103578.db2.gz VFNQJSSYMGMXDH-UHFFFAOYSA-N 2 0 346.523 2.194 10 0 EEAERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001567973217 1124211666 /nfs/dbraw/zinc/21/16/66/1124211666.db2.gz BMNPEXSDTOMVIG-AWEZNQCLSA-N 2 0 338.883 2.061 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCOCC)CC1 ZINC001566609798 1124297313 /nfs/dbraw/zinc/29/73/13/1124297313.db2.gz OMJRDEUOLFLEJX-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568121087 1124314017 /nfs/dbraw/zinc/31/40/17/1124314017.db2.gz MLTJAVGHPJVYGA-QZTJIDSGSA-N 2 0 333.451 2.379 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568274345 1124398996 /nfs/dbraw/zinc/39/89/96/1124398996.db2.gz ULUHGUSPEXPMBZ-XLIONFOSSA-N 2 0 343.515 2.316 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001568640742 1124653962 /nfs/dbraw/zinc/65/39/62/1124653962.db2.gz OYJYBAVBWVIDFH-RHSMWYFYSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568678493 1124690747 /nfs/dbraw/zinc/69/07/47/1124690747.db2.gz SFVHNVHVBWPFKC-KDOFPFPSSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568685276 1124697437 /nfs/dbraw/zinc/69/74/37/1124697437.db2.gz TZOWIHJENZBXLM-HOCLYGCPSA-N 2 0 336.480 2.232 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001568751323 1124764421 /nfs/dbraw/zinc/76/44/21/1124764421.db2.gz LHUNJPGKFNPDAY-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568793607 1124806299 /nfs/dbraw/zinc/80/62/99/1124806299.db2.gz RJZKXGGLYXZMIO-INIZCTEOSA-N 2 0 340.537 2.284 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cncs1 ZINC001568927932 1124958105 /nfs/dbraw/zinc/95/81/05/1124958105.db2.gz FBLSXALHAOHGFE-DWTRPJMMSA-N 2 0 336.505 2.168 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001569026926 1125050659 /nfs/dbraw/zinc/05/06/59/1125050659.db2.gz VJAKQSAOSCMIDF-CQSZACIVSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CCC[NH+]1CCCC1 ZINC001569037950 1125058366 /nfs/dbraw/zinc/05/83/66/1125058366.db2.gz AYGNHJLEFJGVIA-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP CO[C@@H](C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001569236210 1125185260 /nfs/dbraw/zinc/18/52/60/1125185260.db2.gz OPXKJPFKERZUJB-IBGZPJMESA-N 2 0 347.503 2.154 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCc2ccccc2Cl)C2CC2)C1 ZINC001569329543 1125233109 /nfs/dbraw/zinc/23/31/09/1125233109.db2.gz PLBFRAZFBZUQOG-FUHWJXTLSA-N 2 0 349.906 2.319 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457917751 282116126 /nfs/dbraw/zinc/11/61/26/282116126.db2.gz UWEYCGHNDKLTIZ-RBUKOAKNSA-N 2 0 346.519 2.190 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cncn2C)CC1 ZINC000352447948 539887417 /nfs/dbraw/zinc/88/74/17/539887417.db2.gz PKDGPGBSQUDDIQ-UHFFFAOYSA-N 2 0 327.476 2.242 10 0 EEAERP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000129371783 223049123 /nfs/dbraw/zinc/04/91/23/223049123.db2.gz QRYIBINOSXTRCL-IBGZPJMESA-N 2 0 344.503 2.376 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422714724 240186890 /nfs/dbraw/zinc/18/68/90/240186890.db2.gz LKNRDTAHFPDDKC-DNVCBOLYSA-N 2 0 345.487 2.420 10 0 EEAERP Fc1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000422820342 240244889 /nfs/dbraw/zinc/24/48/89/240244889.db2.gz PZMWKAINRJSERB-NUEKZKHPSA-N 2 0 326.387 2.090 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC000422811247 240239393 /nfs/dbraw/zinc/23/93/93/240239393.db2.gz OWAOOCDBZSETED-KBPBESRZSA-N 2 0 348.443 2.387 10 0 EEAERP c1cc(C[NH+]2CCSCC2)cc(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422958455 240309522 /nfs/dbraw/zinc/30/95/22/240309522.db2.gz XWJXCROBRRCYRU-RTBURBONSA-N 2 0 347.528 2.414 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024355 240331787 /nfs/dbraw/zinc/33/17/87/240331787.db2.gz LNYCBKMTPJHQNP-STQMWFEESA-N 2 0 329.847 2.401 10 0 EEAERP NC(=[NH2+])[C@H]1CCC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000079838521 217257454 /nfs/dbraw/zinc/25/74/54/217257454.db2.gz IDQHZFSVNPWXBO-NSHDSACASA-N 2 0 326.238 2.476 10 0 EEAERP C[N@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000266473366 248318652 /nfs/dbraw/zinc/31/86/52/248318652.db2.gz BZCHPEKJQZESMZ-YQQQUEKLSA-N 2 0 344.503 2.433 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093134899 218196933 /nfs/dbraw/zinc/19/69/33/218196933.db2.gz VZPGZAZPUPNWST-INIZCTEOSA-N 2 0 347.507 2.328 10 0 EEAERP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000272904193 256248253 /nfs/dbraw/zinc/24/82/53/256248253.db2.gz IZYIPSROYQVXHG-HNNXBMFYSA-N 2 0 331.460 2.007 10 0 EEAERP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CCC[C@H]3[NH3+])CCC[N@@H+]2C)cc1 ZINC000299740142 258009531 /nfs/dbraw/zinc/00/95/31/258009531.db2.gz WFOMZQSMSVUEGU-JCHJZTRSSA-N 2 0 345.487 2.322 10 0 EEAERP C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000061142950 292150558 /nfs/dbraw/zinc/15/05/58/292150558.db2.gz KWULCRUCTAPWEB-UHFFFAOYSA-N 2 0 330.476 2.176 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000354078097 153091328 /nfs/dbraw/zinc/09/13/28/153091328.db2.gz NCMTZPOFYIVNAP-IBGZPJMESA-N 2 0 343.475 2.200 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106435105 159315837 /nfs/dbraw/zinc/31/58/37/159315837.db2.gz NLVQGBXECOGCQD-LJQANCHMSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437960 160235531 /nfs/dbraw/zinc/23/55/31/160235531.db2.gz RVIYOSRQJQHJMD-WMLDXEAASA-N 2 0 349.475 2.304 10 0 EEAERP C[N@H+](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000247422256 160323988 /nfs/dbraw/zinc/32/39/88/160323988.db2.gz ZBNGEXJODKMHHR-RBUKOAKNSA-N 2 0 344.503 2.244 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247413273 160324026 /nfs/dbraw/zinc/32/40/26/160324026.db2.gz QGRANGRCCYANJG-KZNAEPCWSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1C[NH+](C3CC3)C[C@@H]1C)CC2 ZINC000342336169 161056986 /nfs/dbraw/zinc/05/69/86/161056986.db2.gz IHOKEUWQVCCOQZ-RANZSIQMSA-N 2 0 334.508 2.126 10 0 EEAERP CC[NH+]1CCN(c2ccc(-c3nc(C4([NH3+])CCC4)no3)cc2)CC1 ZINC000261808283 268672817 /nfs/dbraw/zinc/67/28/17/268672817.db2.gz PPTSODFFQIURPK-UHFFFAOYSA-N 2 0 327.432 2.216 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246479254 277391047 /nfs/dbraw/zinc/39/10/47/277391047.db2.gz QRJYLXIXEDILSL-ZWKOTPCHSA-N 2 0 334.508 2.010 10 0 EEAERP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)CCCCC2)CCO1 ZINC000262667319 278328103 /nfs/dbraw/zinc/32/81/03/278328103.db2.gz KXHLSBWYUZFWET-HOTGVXAUSA-N 2 0 337.508 2.044 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccn1 ZINC000245863288 289171706 /nfs/dbraw/zinc/17/17/06/289171706.db2.gz IETQOXZNXBYQEB-CGTJXYLNSA-N 2 0 333.476 2.315 10 0 EEAERP C[N@H+](CCN1CCN(C[C@@H]2CCCC[NH+]2C)CC1)Cc1ccccc1 ZINC000297538814 294273885 /nfs/dbraw/zinc/27/38/85/294273885.db2.gz PULASNBWUCUZLM-NRFANRHFSA-N 2 0 344.547 2.220 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128771474 297278389 /nfs/dbraw/zinc/27/83/89/297278389.db2.gz OVTJJYZYDXXIML-KYJSFNMBSA-N 2 0 330.476 2.214 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@@H]1c1ccccc1 ZINC000333658696 312179293 /nfs/dbraw/zinc/17/92/93/312179293.db2.gz WSNDSWJKCKKOMH-VMXHOPILSA-N 2 0 342.487 2.201 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416792139 313317814 /nfs/dbraw/zinc/31/78/14/313317814.db2.gz LCNRCEUJMDYNGV-IBGZPJMESA-N 2 0 342.487 2.187 10 0 EEAERP [NH3+]CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(F)F ZINC000416872548 313342652 /nfs/dbraw/zinc/34/26/52/313342652.db2.gz LYYKQTLGWUSQOS-OAHLLOKOSA-N 2 0 340.418 2.064 10 0 EEAERP CSc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+](C)C)cc1 ZINC000418237685 313760811 /nfs/dbraw/zinc/76/08/11/313760811.db2.gz WCIRIBDJRUQGLV-RCBQFDQVSA-N 2 0 336.505 2.142 10 0 EEAERP CC1(C)CN(C(=O)NCC[NH3+])[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418293741 313775873 /nfs/dbraw/zinc/77/58/73/313775873.db2.gz FYRCQRZKMAGYCO-GOSISDBHSA-N 2 0 344.503 2.277 10 0 EEAERP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418324756 313783305 /nfs/dbraw/zinc/78/33/05/313783305.db2.gz WHTWHOYDRHCRRY-QZTJIDSGSA-N 2 0 336.524 2.284 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418578230 313851368 /nfs/dbraw/zinc/85/13/68/313851368.db2.gz PSNYLRSUWDWELH-SQNIBIBYSA-N 2 0 336.524 2.282 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)CC1 ZINC000418603910 313858052 /nfs/dbraw/zinc/85/80/52/313858052.db2.gz XBOORRUBWXFHMP-FGTMMUONSA-N 2 0 336.524 2.138 10 0 EEAERP C[N@H+](CCNC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000445028749 315338419 /nfs/dbraw/zinc/33/84/19/315338419.db2.gz IBBJWOAXSMJITC-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000448471772 315371472 /nfs/dbraw/zinc/37/14/72/315371472.db2.gz MDUUPMVILFAPMI-SJLPKXTDSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)[C@H]2CCCO2)CC1 ZINC000527955780 317292844 /nfs/dbraw/zinc/29/28/44/317292844.db2.gz RZJFPHYVYMFVGY-NSISKUIASA-N 2 0 332.488 2.212 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000541856483 318112418 /nfs/dbraw/zinc/11/24/18/318112418.db2.gz JJHBVIXGBXKLKJ-KRWDZBQOSA-N 2 0 332.492 2.392 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CCC(C)C)cn2)CC1 ZINC000564843053 319117169 /nfs/dbraw/zinc/11/71/69/319117169.db2.gz AFNPRBOJQSAMMF-GOSISDBHSA-N 2 0 334.508 2.110 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000564936060 319130529 /nfs/dbraw/zinc/13/05/29/319130529.db2.gz GZGDCAKKWMWGLW-KVWWFHCMSA-N 2 0 344.503 2.375 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580548720 324084832 /nfs/dbraw/zinc/08/48/32/324084832.db2.gz FCHJKBCYXYZUHH-JTDSTZFVSA-N 2 0 344.503 2.375 10 0 EEAERP C[C@@]1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581478531 324261432 /nfs/dbraw/zinc/26/14/32/324261432.db2.gz VZZATBQBZGYHSR-QUCCMNQESA-N 2 0 344.503 2.421 10 0 EEAERP CCCCC1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000581535746 324273672 /nfs/dbraw/zinc/27/36/72/324273672.db2.gz SWQPUXWMJAGADB-CTWPCTMYSA-N 2 0 325.541 2.181 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000583683336 324710993 /nfs/dbraw/zinc/71/09/93/324710993.db2.gz JAYFPMRKNVNJLO-NZPGVSJUSA-N 2 0 348.466 2.040 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000336709452 465043253 /nfs/dbraw/zinc/04/32/53/465043253.db2.gz JVXIELCLOMNTJZ-UXHICEINSA-N 2 0 332.488 2.228 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000568212717 468298535 /nfs/dbraw/zinc/29/85/35/468298535.db2.gz HUWAONUGIUTQMC-GOEBONIOSA-N 2 0 337.895 2.443 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000521471831 468316957 /nfs/dbraw/zinc/31/69/57/468316957.db2.gz UBZXSDNZNQEHDT-RBUKOAKNSA-N 2 0 344.503 2.463 10 0 EEAERP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000121668615 463175325 /nfs/dbraw/zinc/17/53/25/463175325.db2.gz XBUYTKIDZVPBLR-OAHLLOKOSA-N 2 0 349.441 2.451 10 0 EEAERP COc1ccccc1NC(=O)CN1CCC[C@H](Cc2nccn2C)C1 ZINC000123758452 463366363 /nfs/dbraw/zinc/36/63/63/463366363.db2.gz TZJMNHJPSWIHQX-OAHLLOKOSA-N 2 0 342.443 2.322 10 0 EEAERP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875965 463484473 /nfs/dbraw/zinc/48/44/73/463484473.db2.gz SEZUMTDMTQPWMJ-IYBDPMFKSA-N 2 0 332.492 2.464 10 0 EEAERP CC(C)[NH2+]CCN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000193438079 463712647 /nfs/dbraw/zinc/71/26/47/463712647.db2.gz OGEJTJYJLMUPGT-FQEVSTJZSA-N 3 0 333.520 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GXYFWRHMZZMVHV-POAQFYNOSA-N 2 0 344.503 2.481 10 0 EEAERP O[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000568974325 468415150 /nfs/dbraw/zinc/41/51/50/468415150.db2.gz CYUYIECARBZVTM-FBBABVLZSA-N 2 0 338.451 2.436 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000183094731 464795320 /nfs/dbraw/zinc/79/53/20/464795320.db2.gz WMMFKOUYVGREBH-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000183248762 464833376 /nfs/dbraw/zinc/83/33/76/464833376.db2.gz WKXBQUDCUZPJKO-UYAOXDASSA-N 2 0 345.487 2.429 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000352174732 465491540 /nfs/dbraw/zinc/49/15/40/465491540.db2.gz CJGFXPUOQRAPHK-UHFFFAOYSA-N 2 0 347.569 2.292 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCCCC1 ZINC000299531449 465788194 /nfs/dbraw/zinc/78/81/94/465788194.db2.gz SNIMJYRMBPUPTD-UHFFFAOYSA-N 2 0 345.491 2.226 10 0 EEAERP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)C2)ncn1 ZINC000353425553 465871974 /nfs/dbraw/zinc/87/19/74/465871974.db2.gz YKAWVIXDXDASNW-WJFTUGDTSA-N 2 0 343.519 2.470 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn2)CCO1 ZINC000353464336 465902770 /nfs/dbraw/zinc/90/27/70/465902770.db2.gz UIJPULQTEQIMSI-QXCFHYIPSA-N 2 0 344.503 2.269 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccc1-c1ccnn1C)CC[NH+](C)C ZINC000353545138 465967767 /nfs/dbraw/zinc/96/77/67/465967767.db2.gz RDUPDGAXNFGGEX-UHFFFAOYSA-N 2 0 343.519 2.402 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000353671638 466055653 /nfs/dbraw/zinc/05/56/53/466055653.db2.gz LGMLESIQLMPANF-TUFLPTIASA-N 3 0 343.515 2.216 10 0 EEAERP COc1ccsc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000349346204 466076589 /nfs/dbraw/zinc/07/65/89/466076589.db2.gz YARKPFAJPMVLSI-KGLIPLIRSA-N 2 0 341.521 2.500 10 0 EEAERP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310551679 466515727 /nfs/dbraw/zinc/51/57/27/466515727.db2.gz WSPAICDLOVGOCC-ROUUACIJSA-N 2 0 329.488 2.498 10 0 EEAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000341105981 466589221 /nfs/dbraw/zinc/58/92/21/466589221.db2.gz OSUYEIOXFRMXQE-ROUUACIJSA-N 2 0 334.508 2.297 10 0 EEAERP CCC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccn1 ZINC000423391420 466737324 /nfs/dbraw/zinc/73/73/24/466737324.db2.gz PKGKQVUAFJOQRQ-HIFRSBDPSA-N 2 0 330.398 2.349 10 0 EEAERP C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250300 472042858 /nfs/dbraw/zinc/04/28/58/472042858.db2.gz DUJYKGYENWUQQO-CQSZACIVSA-N 2 0 325.250 2.402 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCC2([NH3+])CCCCC2)ccc1F ZINC000417663515 466902889 /nfs/dbraw/zinc/90/28/89/466902889.db2.gz VDKYOWYCNJDZNO-UHFFFAOYSA-N 2 0 336.455 2.348 10 0 EEAERP C[C@H](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000417810080 466941507 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467233721 /nfs/dbraw/zinc/23/37/21/467233721.db2.gz AOZCGXNILGLYFE-UHFFFAOYSA-N 2 0 341.455 2.258 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000420314139 467351508 /nfs/dbraw/zinc/35/15/08/467351508.db2.gz YVKMPNBAWAVEHW-ZWKOTPCHSA-N 2 0 345.487 2.072 10 0 EEAERP COc1ccc(OC)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415052405 467476747 /nfs/dbraw/zinc/47/67/47/467476747.db2.gz LBZRYXWFQZTEAF-UHFFFAOYSA-N 2 0 333.476 2.010 10 0 EEAERP C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000449114900 467619208 /nfs/dbraw/zinc/61/92/08/467619208.db2.gz FNTHMAJSBSFYQW-HNNXBMFYSA-N 2 0 329.444 2.292 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCc2cn(C)cn2)C1 ZINC000457733859 467691067 /nfs/dbraw/zinc/69/10/67/467691067.db2.gz KOHBPSOKFADGKC-HZPDHXFCSA-N 2 0 335.496 2.020 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000458596181 467864531 /nfs/dbraw/zinc/86/45/31/467864531.db2.gz WPEGYCVEGPHCBX-NZSAHSFTSA-N 2 0 344.503 2.463 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000459103465 467950259 /nfs/dbraw/zinc/95/02/59/467950259.db2.gz LJVNDTUUVHSTOF-YJBOKZPZSA-N 2 0 336.524 2.375 10 0 EEAERP C[NH+]1CCC(C[NH2+]C2CCN(C3CC3)CC2)(N2CCCCC2)CC1 ZINC000459421572 467958076 /nfs/dbraw/zinc/95/80/76/467958076.db2.gz MGZARTQBTAGUAC-UHFFFAOYSA-N 2 0 334.552 2.153 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC000488741373 468100951 /nfs/dbraw/zinc/10/09/51/468100951.db2.gz ZFUYZTTZBVPNKG-YKCBXCCJSA-N 2 0 332.488 2.092 10 0 EEAERP CCC[C@H](O)[C@@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519763026 468206563 /nfs/dbraw/zinc/20/65/63/468206563.db2.gz CDYQHXMATMAWJC-QRVBRYPASA-N 2 0 332.488 2.295 10 0 EEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000578546575 468216171 /nfs/dbraw/zinc/21/61/71/468216171.db2.gz IMAOTQUDEXENRM-KRWDZBQOSA-N 2 0 347.503 2.365 10 0 EEAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(I)cc1 ZINC000600711147 468629384 /nfs/dbraw/zinc/62/93/84/468629384.db2.gz RGSQCQNMHJNTCM-LLVKDONJSA-N 2 0 348.228 2.307 10 0 EEAERP COC(=O)c1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000600762750 468650613 /nfs/dbraw/zinc/65/06/13/468650613.db2.gz WVEFQEOPWRPTFE-GOSISDBHSA-N 2 0 332.444 2.064 10 0 EEAERP CSC1(C[NH2+]Cc2ccnn2-c2ccccn2)CC[NH+](C)CC1 ZINC000592368154 468684198 /nfs/dbraw/zinc/68/41/98/468684198.db2.gz ZNKLVFDCZROWFS-UHFFFAOYSA-N 2 0 331.489 2.184 10 0 EEAERP C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)C1CC[NH+](C)CC1 ZINC000592393075 468688806 /nfs/dbraw/zinc/68/88/06/468688806.db2.gz CWJAOCLCHOWSGL-HNNXBMFYSA-N 2 0 340.508 2.445 10 0 EEAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000595016538 468743364 /nfs/dbraw/zinc/74/33/64/468743364.db2.gz LKOCFAJHZMDLQO-OAHLLOKOSA-N 2 0 328.497 2.179 10 0 EEAERP CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571325304 468772054 /nfs/dbraw/zinc/77/20/54/468772054.db2.gz DSUJOLIQVRPPCH-MRXNPFEDSA-N 2 0 341.908 2.435 10 0 EEAERP CCOC(=O)C1(C)CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000601284501 468810388 /nfs/dbraw/zinc/81/03/88/468810388.db2.gz ILKLBFQTWGTULK-UHFFFAOYSA-N 2 0 338.492 2.199 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000618551840 469386960 /nfs/dbraw/zinc/38/69/60/469386960.db2.gz KHENOUWMFZMCIP-IBGZPJMESA-N 2 0 344.503 2.087 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[NH2+]1 ZINC000625859443 469414171 /nfs/dbraw/zinc/41/41/71/469414171.db2.gz PVCHNUAVMIMJKF-ZBFHGGJFSA-N 2 0 334.464 2.279 10 0 EEAERP CN(C(=O)N[C@H]1CCC[N@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000603593423 469416177 /nfs/dbraw/zinc/41/61/77/469416177.db2.gz GZTHAOWZUHQVAV-SFHVURJKSA-N 2 0 344.503 2.387 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000617007544 469568337 /nfs/dbraw/zinc/56/83/37/469568337.db2.gz VKZALZMOOJZKBG-JKSUJKDBSA-N 2 0 339.549 2.193 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000629529115 469572910 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2.337 10 0 EEAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126513 469820214 /nfs/dbraw/zinc/82/02/14/469820214.db2.gz VKTACWNSBZPTNI-OAHLLOKOSA-N 2 0 336.505 2.106 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627132206 469821113 /nfs/dbraw/zinc/82/11/13/469821113.db2.gz BLAUXAQZLVBPQZ-KRWDZBQOSA-N 2 0 336.524 2.425 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000627166399 469831694 /nfs/dbraw/zinc/83/16/94/469831694.db2.gz CZNFTGNWSDBKKI-OKZBNKHCSA-N 2 0 330.476 2.043 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccncc1 ZINC000630880914 470019544 /nfs/dbraw/zinc/01/95/44/470019544.db2.gz WIYZHZIYZZAZNR-WMZOPIPTSA-N 2 0 332.492 2.060 10 0 EEAERP CCOc1cncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000621370518 470038871 /nfs/dbraw/zinc/03/88/71/470038871.db2.gz KMEKVFSVLVKILR-LJQANCHMSA-N 2 0 341.455 2.337 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628225962 470078738 /nfs/dbraw/zinc/07/87/38/470078738.db2.gz VJMIZSQKPBKSMJ-SFHVURJKSA-N 2 0 341.565 2.488 10 0 EEAERP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000631611566 470174520 /nfs/dbraw/zinc/17/45/20/470174520.db2.gz NHHOFBXXHFNCBC-OALUTQOASA-N 2 0 347.503 2.365 10 0 EEAERP [NH3+]CCCOC1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000631821763 470185724 /nfs/dbraw/zinc/18/57/24/470185724.db2.gz IIENRAURAOAYDX-UHFFFAOYSA-N 2 0 342.386 2.380 10 0 EEAERP C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698098 470280881 /nfs/dbraw/zinc/28/08/81/470280881.db2.gz AFSBHGMZZALZLB-WOJBJXKFSA-N 2 0 332.488 2.284 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000645693872 470385722 /nfs/dbraw/zinc/38/57/22/470385722.db2.gz PJWGKJQFQOFDMJ-NUWOQIAWSA-N 2 0 339.524 2.146 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000649100821 470463437 /nfs/dbraw/zinc/46/34/37/470463437.db2.gz AHPCJLYICBOOIY-QYZOEREBSA-N 2 0 329.488 2.322 10 0 EEAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1CC1CC[NH2+]CC1 ZINC000649322927 470545487 /nfs/dbraw/zinc/54/54/87/470545487.db2.gz WVGXGRNDYJILLR-IBGZPJMESA-N 2 0 341.499 2.443 10 0 EEAERP CC[C@H]1CN(CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1[NH3+] ZINC000649416592 470580673 /nfs/dbraw/zinc/58/06/73/470580673.db2.gz FSHILTLWZXCBDE-DLBZAZTESA-N 2 0 347.507 2.461 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000646922605 470777913 /nfs/dbraw/zinc/77/79/13/470777913.db2.gz NMVMGPMDQHGYSR-OALUTQOASA-N 2 0 327.472 2.061 10 0 EEAERP CC[C@@H]1CN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC[C@H]1[NH3+] ZINC000647011649 470805455 /nfs/dbraw/zinc/80/54/55/470805455.db2.gz IMCAZLMUYBTLEY-VQIMIIECSA-N 2 0 344.503 2.028 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncc(Br)cn1 ZINC000647798683 470987018 /nfs/dbraw/zinc/98/70/18/470987018.db2.gz VMNDBDLKGQMIBN-MRBYEJRBSA-N 2 0 325.254 2.278 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804435 470988572 /nfs/dbraw/zinc/98/85/72/470988572.db2.gz QPKNKWVFCGMPLK-OBJOEFQTSA-N 2 0 345.409 2.326 10 0 EEAERP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000638387463 471071682 /nfs/dbraw/zinc/07/16/82/471071682.db2.gz USUUYLSAXQECFL-IXDOHACOSA-N 2 0 329.488 2.496 10 0 EEAERP CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)CO1 ZINC000657313289 471094325 /nfs/dbraw/zinc/09/43/25/471094325.db2.gz SGTOJMGOVJAZNW-PMACEKPBSA-N 2 0 331.504 2.481 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657350950 471108495 /nfs/dbraw/zinc/10/84/95/471108495.db2.gz HXDDKABGOOFCDW-UHFFFAOYSA-N 2 0 328.460 2.102 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000657573683 471172821 /nfs/dbraw/zinc/17/28/21/471172821.db2.gz OMDRFORDJLFRGZ-IRFCIJBXSA-N 2 0 346.563 2.369 10 0 EEAERP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000657594599 471177620 /nfs/dbraw/zinc/17/76/20/471177620.db2.gz IZNHLXFFAJLLIP-LJQANCHMSA-N 2 0 342.487 2.376 10 0 EEAERP c1cc(N2CCC([NH2+]Cc3ccc(-c4nncnn4)cc3)CC2)cc[nH+]1 ZINC000652035412 471211637 /nfs/dbraw/zinc/21/16/37/471211637.db2.gz VPVUCSBNWBFVHV-UHFFFAOYSA-N 2 0 347.426 2.087 10 0 EEAERP COCC[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C1 ZINC000652036766 471211746 /nfs/dbraw/zinc/21/17/46/471211746.db2.gz VLLUHQHQZRACQT-UHFFFAOYSA-N 2 0 349.519 2.170 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000663503190 471402657 /nfs/dbraw/zinc/40/26/57/471402657.db2.gz GRFIBHDGYIJMCY-UHFFFAOYSA-N 2 0 325.403 2.045 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ncc(C(C)C)s2)CC1 ZINC000663505799 471403622 /nfs/dbraw/zinc/40/36/22/471403622.db2.gz MKXPRDYJGSPNNH-UHFFFAOYSA-N 2 0 338.521 2.347 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000669267733 471437719 /nfs/dbraw/zinc/43/77/19/471437719.db2.gz UQOHSJWSRPPEAB-PYKQWIPUSA-N 2 0 336.867 2.291 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2ccccc2n1 ZINC000655713195 471452775 /nfs/dbraw/zinc/45/27/75/471452775.db2.gz YGTNJCGAUADGLE-HZPDHXFCSA-N 2 0 327.476 2.153 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000655729340 471458915 /nfs/dbraw/zinc/45/89/15/471458915.db2.gz JZGPOAZCYFSBSP-UHFFFAOYSA-N 2 0 342.487 2.492 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000653037022 471461656 /nfs/dbraw/zinc/46/16/56/471461656.db2.gz RKCISIVXWYIVFD-KRWDZBQOSA-N 2 0 341.565 2.298 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCCC3)(N2CCCCC2)CC1 ZINC000655745007 471466357 /nfs/dbraw/zinc/46/63/57/471466357.db2.gz YMALAZDRIAPVBS-UHFFFAOYSA-N 2 0 345.535 2.259 10 0 EEAERP CCN(C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000663698228 471480911 /nfs/dbraw/zinc/48/09/11/471480911.db2.gz ULLQZXZEMAOKGD-VQIMIIECSA-N 2 0 344.503 2.169 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655806780 471489524 /nfs/dbraw/zinc/48/95/24/471489524.db2.gz BCWXNZNRUTTZCR-KFWWJZLASA-N 2 0 349.475 2.351 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000663775299 471512475 /nfs/dbraw/zinc/51/24/75/471512475.db2.gz WKYSQTKHQQLJGQ-RBUKOAKNSA-N 2 0 344.503 2.039 10 0 EEAERP [NH3+]CCN(Cc1ccccc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000669575143 471563145 /nfs/dbraw/zinc/56/31/45/471563145.db2.gz LKXPRKJRRYBRRG-UHFFFAOYSA-N 2 0 330.476 2.174 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000659284327 471566180 /nfs/dbraw/zinc/56/61/80/471566180.db2.gz HBLQRKSGRLNAKM-IBGZPJMESA-N 2 0 347.503 2.431 10 0 EEAERP C([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nc2c(s1)CCCC2 ZINC000666978601 471611383 /nfs/dbraw/zinc/61/13/83/471611383.db2.gz XVKGCWMQZJOYCI-UHFFFAOYSA-N 2 0 334.533 2.328 10 0 EEAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000667252232 471709878 /nfs/dbraw/zinc/70/98/78/471709878.db2.gz CYJPNJHGIKUZRF-DOTOQJQBSA-N 2 0 341.459 2.397 10 0 EEAERP [NH3+]Cc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000656459767 471723113 /nfs/dbraw/zinc/72/31/13/471723113.db2.gz MPOSPXKUAHHNEV-UHFFFAOYSA-N 2 0 348.454 2.048 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000654067381 471827041 /nfs/dbraw/zinc/82/70/41/471827041.db2.gz ZFUCKHPRAJVJCW-IZAXUBKRSA-N 2 0 329.488 2.355 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000667811676 471917006 /nfs/dbraw/zinc/91/70/06/471917006.db2.gz SBZXHPCSYTWJGY-QZTJIDSGSA-N 2 0 349.523 2.017 10 0 EEAERP COc1ccccc1-c1cc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)on1 ZINC000665300027 471995407 /nfs/dbraw/zinc/99/54/07/471995407.db2.gz WXIQHZOTTRBOCB-MOPGFXCFSA-N 2 0 343.427 2.207 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000662514562 472135659 /nfs/dbraw/zinc/13/56/59/472135659.db2.gz OUWRVFYMCAUIPG-FCGDIQPGSA-N 2 0 343.471 2.217 10 0 EEAERP CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662682000 472203983 /nfs/dbraw/zinc/20/39/83/472203983.db2.gz CMMYAESIUMZSLM-UHFFFAOYSA-N 2 0 336.480 2.453 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(F)c1 ZINC000668654367 472209694 /nfs/dbraw/zinc/20/96/94/472209694.db2.gz XVAJPEKDAGJFJQ-HKUYNNGSSA-N 2 0 348.466 2.214 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc(-n2cccc2)c1 ZINC000665962872 472254328 /nfs/dbraw/zinc/25/43/28/472254328.db2.gz NWSYFEKLPBAKDD-UHFFFAOYSA-N 2 0 343.475 2.482 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CCC[NH2+]1 ZINC000668864763 472302109 /nfs/dbraw/zinc/30/21/09/472302109.db2.gz RCGYLATZHGVXNM-GOSISDBHSA-N 2 0 330.476 2.224 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673861126 485557935 /nfs/dbraw/zinc/55/79/35/485557935.db2.gz BAGICSZFWCBZNV-AWEZNQCLSA-N 2 0 328.420 2.119 10 0 EEAERP CC(C)[NH+](CCCNC(=O)Nc1cnn(CC[NH+](C)C)c1)C(C)C ZINC000673870900 485564798 /nfs/dbraw/zinc/56/47/98/485564798.db2.gz FQWNLOWLGPBCCJ-UHFFFAOYSA-N 2 0 338.500 2.075 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143666 485571899 /nfs/dbraw/zinc/57/18/99/485571899.db2.gz ZTBKZMRTPUJMPV-MOPGFXCFSA-N 2 0 328.460 2.228 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000434359612 485714458 /nfs/dbraw/zinc/71/44/58/485714458.db2.gz XDUBBYPPRMZMAN-NJAFHUGGSA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674744920 485795492 /nfs/dbraw/zinc/79/54/92/485795492.db2.gz CRLHUGHTZKBZGR-UHFFFAOYSA-N 2 0 330.436 2.319 10 0 EEAERP C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)C1CC[NH+](C)CC1 ZINC000684962869 486046983 /nfs/dbraw/zinc/04/69/83/486046983.db2.gz FSPUCIXUVOYQBY-BXWFABGCSA-N 2 0 329.488 2.496 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000681317189 486208515 /nfs/dbraw/zinc/20/85/15/486208515.db2.gz LIJAELNKTVDCBV-RBUKOAKNSA-N 2 0 344.503 2.290 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000677224843 486397096 /nfs/dbraw/zinc/39/70/96/486397096.db2.gz UAKAPXDLJCBTGO-QGZVFWFLSA-N 2 0 332.492 2.290 10 0 EEAERP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000682915156 486584217 /nfs/dbraw/zinc/58/42/17/486584217.db2.gz LCTJOOIMSLGRHR-UKRRQHHQSA-N 2 0 326.431 2.436 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N1CCC(C[NH+](C)C)CC1 ZINC000051484411 536468764 /nfs/dbraw/zinc/46/87/64/536468764.db2.gz ANJGLMNBSYLKIV-UHFFFAOYSA-N 2 0 341.297 2.342 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428738 527814765 /nfs/dbraw/zinc/81/47/65/527814765.db2.gz XLKNAFNTNFPRSW-LSDHHAIUSA-N 2 0 347.459 2.122 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccco1 ZINC000174389041 528271856 /nfs/dbraw/zinc/27/18/56/528271856.db2.gz MCWOVHXUTBAOLG-IAGOWNOFSA-N 2 0 346.475 2.318 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=S)NCC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000741488636 578120287 /nfs/dbraw/zinc/12/02/87/578120287.db2.gz LTVXYAVDKYWDRF-CABCVRRESA-N 2 0 328.570 2.111 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)n(C)n1 ZINC000925023984 682551332 /nfs/dbraw/zinc/55/13/32/682551332.db2.gz QOVRGSCKOBYIGW-CMKODMSKSA-N 2 0 348.535 2.266 10 0 EEAERP C[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CCN1c1cc[nH+]cc1 ZINC000895556753 684641392 /nfs/dbraw/zinc/64/13/92/684641392.db2.gz JTAOFAIGSVQPME-MRXNPFEDSA-N 2 0 334.427 2.373 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000897103973 686144481 /nfs/dbraw/zinc/14/44/81/686144481.db2.gz BYOHKEYBXKVYCI-WBVHZDCISA-N 2 0 330.476 2.402 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485518892 1191823426 /nfs/dbraw/zinc/82/34/26/1191823426.db2.gz XWQCPNLOCUJANE-DNVCBOLYSA-N 2 0 329.488 2.452 10 0 EEAERP COCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485580360 1191847648 /nfs/dbraw/zinc/84/76/48/1191847648.db2.gz HCMKLSKNFZKGST-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865873 1176139025 /nfs/dbraw/zinc/13/90/25/1176139025.db2.gz QXOIZWYBYXDIRZ-RDTXWAMCSA-N 2 0 333.451 2.277 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C[C@H]1CCC(F)(F)C1 ZINC001480872361 1176510050 /nfs/dbraw/zinc/51/00/50/1176510050.db2.gz YUNSTCSGHISGLD-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001266547096 1176807234 /nfs/dbraw/zinc/80/72/34/1176807234.db2.gz HBACXGPILOTFIA-INIZCTEOSA-N 2 0 337.895 2.415 10 0 EEAERP O=C(N[C@H](C[NH2+]CCCC1CCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001670470818 1176816347 /nfs/dbraw/zinc/81/63/47/1176816347.db2.gz ZRISPLSZGCTSMM-RTBURBONSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001266815316 1177475307 /nfs/dbraw/zinc/47/53/07/1177475307.db2.gz PDFXHJIIUDQNIS-WFASDCNBSA-N 2 0 338.521 2.038 10 0 EEAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266844961 1177535761 /nfs/dbraw/zinc/53/57/61/1177535761.db2.gz RJKQETDSZCYKDT-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP CN(CC[NH2+]Cc1cncc(F)c1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266897837 1177748037 /nfs/dbraw/zinc/74/80/37/1177748037.db2.gz TYXASKPYQDAIHH-UHFFFAOYSA-N 2 0 344.434 2.144 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691321930 1177909267 /nfs/dbraw/zinc/90/92/67/1177909267.db2.gz PKJBMFNNYQLNTJ-KRWDZBQOSA-N 2 0 335.879 2.230 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cn(C(C)C)nc2C)CC[N@@H+]1C ZINC001691324587 1177914217 /nfs/dbraw/zinc/91/42/17/1177914217.db2.gz MRTRBMKDQUKCCV-ZWKOTPCHSA-N 2 0 349.523 2.051 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345607 1177941991 /nfs/dbraw/zinc/94/19/91/1177941991.db2.gz FMCWCQBFACVRCW-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP CN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)C[N@H+](C)C1CCC1 ZINC001691347854 1177944995 /nfs/dbraw/zinc/94/49/95/1177944995.db2.gz MOOSRSGHYNSRDP-UHFFFAOYSA-N 2 0 340.471 2.267 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001692132400 1177982264 /nfs/dbraw/zinc/98/22/64/1177982264.db2.gz WMFYOFSMFAPLTG-SJORKVTESA-N 2 0 327.513 2.112 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1C ZINC001267459664 1179048576 /nfs/dbraw/zinc/04/85/76/1179048576.db2.gz YFOFGTYPIHDGLD-GOSISDBHSA-N 2 0 335.492 2.138 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cc(Cl)ccc1F ZINC001267475292 1179110056 /nfs/dbraw/zinc/11/00/56/1179110056.db2.gz ZUDYDSNOMBSHKE-UHFFFAOYSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)Cc1ccc2c(c1)COC2 ZINC001480951306 1179118854 /nfs/dbraw/zinc/11/88/54/1179118854.db2.gz WECGGIDDHFYFRM-IYBDPMFKSA-N 2 0 345.487 2.138 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481102283 1179741625 /nfs/dbraw/zinc/74/16/25/1179741625.db2.gz KELHJKAITPAZQM-HNNXBMFYSA-N 2 0 348.491 2.050 10 0 EEAERP CCc1ccccc1C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481196793 1180071640 /nfs/dbraw/zinc/07/16/40/1180071640.db2.gz PPLJKBUJSMOHDW-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H](C[N@H+](C)CC=C(C)C)C1 ZINC001267653594 1180107782 /nfs/dbraw/zinc/10/77/82/1180107782.db2.gz WITTZZACIDHKKV-IRXDYDNUSA-N 2 0 327.488 2.413 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001267956235 1180837092 /nfs/dbraw/zinc/83/70/92/1180837092.db2.gz ZKIFGDCLNKMJNG-MISYRCLQSA-N 2 0 343.515 2.458 10 0 EEAERP Cc1nc(CNCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)oc1C ZINC001481286787 1180859064 /nfs/dbraw/zinc/85/90/64/1180859064.db2.gz BAXIPFSMNVNQEG-OAHLLOKOSA-N 2 0 336.480 2.104 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001481290015 1180889162 /nfs/dbraw/zinc/88/91/62/1180889162.db2.gz ACJYZAOBRJOARM-LSDHHAIUSA-N 2 0 329.435 2.097 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001481320001 1181025167 /nfs/dbraw/zinc/02/51/67/1181025167.db2.gz SFOZDZHWSKPEFU-GOSISDBHSA-N 2 0 335.467 2.494 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001481333229 1181054094 /nfs/dbraw/zinc/05/40/94/1181054094.db2.gz IHDBMJNONODOAF-WMLDXEAASA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@@H](C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2)OC ZINC001268046892 1181542736 /nfs/dbraw/zinc/54/27/36/1181542736.db2.gz NYSGOIFJYOCVKW-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)C[C@H]2CCCCO2)CC1 ZINC001481521374 1181638161 /nfs/dbraw/zinc/63/81/61/1181638161.db2.gz BNUKVMQQXQHFJX-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCOc2ccccc2)C1 ZINC001481530334 1181655180 /nfs/dbraw/zinc/65/51/80/1181655180.db2.gz JXOMHIYTOPCHEE-GOSISDBHSA-N 2 0 347.503 2.376 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481753345 1182547564 /nfs/dbraw/zinc/54/75/64/1182547564.db2.gz SOQDWSDZWDZVPX-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1cncn1C ZINC001268413553 1182564210 /nfs/dbraw/zinc/56/42/10/1182564210.db2.gz GXQHHSDWQMRTIF-ZDUSSCGKSA-N 2 0 334.851 2.301 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439377 1182614839 /nfs/dbraw/zinc/61/48/39/1182614839.db2.gz OKYNGGCUXIDPNF-PXNSSMCTSA-N 2 0 343.515 2.324 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268458720 1182738910 /nfs/dbraw/zinc/73/89/10/1182738910.db2.gz QPXJOFWECMEKPK-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268463010 1182774184 /nfs/dbraw/zinc/77/41/84/1182774184.db2.gz VZYBOTJYLKIYPK-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1cccc(C)c1 ZINC001481841137 1182775467 /nfs/dbraw/zinc/77/54/67/1182775467.db2.gz NPLDRCLJVCJZOA-HKUYNNGSSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001481847617 1182792165 /nfs/dbraw/zinc/79/21/65/1182792165.db2.gz GMHKGAIDQXLMFL-JSGCOSHPSA-N 2 0 327.419 2.462 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481850740 1182801045 /nfs/dbraw/zinc/80/10/45/1182801045.db2.gz OYJVZFMDAZTGCI-CRAIPNDOSA-N 2 0 347.503 2.330 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccc(C)cc1 ZINC001481876316 1182851548 /nfs/dbraw/zinc/85/15/48/1182851548.db2.gz UZFVOSVWMDDJHI-RTBURBONSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001481881334 1182864457 /nfs/dbraw/zinc/86/44/57/1182864457.db2.gz JNPLXRSLZXKLPG-LJQANCHMSA-N 2 0 331.504 2.500 10 0 EEAERP CCOCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481981232 1183076213 /nfs/dbraw/zinc/07/62/13/1183076213.db2.gz MCLMYTWVSKFSSC-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)CC1 ZINC001482022026 1183147070 /nfs/dbraw/zinc/14/70/70/1183147070.db2.gz DPRSPVKVYQTHEY-HAQNSBGRSA-N 2 0 344.912 2.265 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cccc(F)c1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001268538502 1183199578 /nfs/dbraw/zinc/19/95/78/1183199578.db2.gz KMWQIVVIGBFHHZ-STOZHHMFSA-N 2 0 349.425 2.069 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482060223 1183269329 /nfs/dbraw/zinc/26/93/29/1183269329.db2.gz LBIYGBIKOUVSSY-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC001268588070 1183386276 /nfs/dbraw/zinc/38/62/76/1183386276.db2.gz NYILEDRLBLREMJ-IHWYPQMZSA-N 2 0 337.414 2.069 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001482158532 1183476940 /nfs/dbraw/zinc/47/69/40/1183476940.db2.gz FWHVSMCIEDJCNI-IRXDYDNUSA-N 2 0 346.519 2.389 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001268625717 1183548351 /nfs/dbraw/zinc/54/83/51/1183548351.db2.gz KCMOYALCXRIAJM-OJBOGMDESA-N 2 0 341.499 2.320 10 0 EEAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001482192400 1183623097 /nfs/dbraw/zinc/62/30/97/1183623097.db2.gz KCGVWTCCQPPPLF-QGZVFWFLSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)co1 ZINC001268881157 1183789306 /nfs/dbraw/zinc/78/93/06/1183789306.db2.gz OCFLUOGNWHBQHF-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP Cc1ccncc1CN1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268917433 1183826460 /nfs/dbraw/zinc/82/64/60/1183826460.db2.gz UEXIDZBYRJCBFB-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001280042137 1184552364 /nfs/dbraw/zinc/55/23/64/1184552364.db2.gz QSTAWNSYSNJVSR-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001269745741 1184585243 /nfs/dbraw/zinc/58/52/43/1184585243.db2.gz STLWWWGOBFWMPZ-SFHVURJKSA-N 2 0 325.472 2.146 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001269901889 1184704627 /nfs/dbraw/zinc/70/46/27/1184704627.db2.gz KTIXGMYMNRMANE-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001270067184 1184823610 /nfs/dbraw/zinc/82/36/10/1184823610.db2.gz RONJXSWTLPZJEC-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCc2ccccc2)C1 ZINC001270304327 1185002407 /nfs/dbraw/zinc/00/24/07/1185002407.db2.gz SHAZVFSKUUWLRU-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH2+]C/C=C/Cl ZINC001270517585 1185142710 /nfs/dbraw/zinc/14/27/10/1185142710.db2.gz RFEVPCJQYCEETE-CVYKPKQLSA-N 2 0 333.879 2.293 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001270757548 1185370838 /nfs/dbraw/zinc/37/08/38/1185370838.db2.gz PNVOPRBNJDNRJU-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270770777 1185380483 /nfs/dbraw/zinc/38/04/83/1185380483.db2.gz YAPWUUATXULDMM-MAUKXSAKSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1c(F)cccc1F)[NH+](C)C ZINC001271012701 1185810865 /nfs/dbraw/zinc/81/08/65/1185810865.db2.gz HXTKAFNVTNHSSN-SUMWQHHRSA-N 2 0 341.446 2.284 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001271156535 1185990468 /nfs/dbraw/zinc/99/04/68/1185990468.db2.gz XQZCKQRNYPFFFF-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001271210634 1186084141 /nfs/dbraw/zinc/08/41/41/1186084141.db2.gz YWTUKZIOXWSLKA-MRXNPFEDSA-N 2 0 335.467 2.291 10 0 EEAERP C[C@H]([NH2+]CCCCCF)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001482485511 1186206856 /nfs/dbraw/zinc/20/68/56/1186206856.db2.gz VJRODWXTQGPSLZ-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccns1 ZINC001271699752 1186382108 /nfs/dbraw/zinc/38/21/08/1186382108.db2.gz NBAXOEHOQNGGPR-GJZGRUSLSA-N 2 0 338.521 2.059 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCCCF ZINC001482501696 1186412612 /nfs/dbraw/zinc/41/26/12/1186412612.db2.gz SDJQMJNMKSWVTO-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCc1ccccc1F ZINC001279149192 1186954342 /nfs/dbraw/zinc/95/43/42/1186954342.db2.gz NRQMGMCIYAJCQX-WBVHZDCISA-N 2 0 335.467 2.004 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001482597379 1187300444 /nfs/dbraw/zinc/30/04/44/1187300444.db2.gz ZKRSXBADRHEGJU-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001670842302 1187432038 /nfs/dbraw/zinc/43/20/38/1187432038.db2.gz DCHIHIOKLBKDKP-KRWDZBQOSA-N 2 0 337.508 2.058 10 0 EEAERP CN(CCN(C)C(=O)Cn1ccnc1)Cc1ccc(Cl)s1 ZINC001482655121 1187496839 /nfs/dbraw/zinc/49/68/39/1187496839.db2.gz VGBFSXTZYUSTTG-UHFFFAOYSA-N 2 0 326.853 2.188 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001482685376 1187651789 /nfs/dbraw/zinc/65/17/89/1187651789.db2.gz FRMFZXOYHFRXEB-ROUUACIJSA-N 2 0 332.492 2.025 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCCC(F)(F)F)C1 ZINC001691839286 1187731239 /nfs/dbraw/zinc/73/12/39/1187731239.db2.gz LLXNKIRYDMXGRO-SOUVJXGZSA-N 2 0 347.425 2.346 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482815921 1187749236 /nfs/dbraw/zinc/74/92/36/1187749236.db2.gz BRDTYSYAWFAPCH-VQIMIIECSA-N 2 0 331.504 2.370 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001482843522 1187762732 /nfs/dbraw/zinc/76/27/32/1187762732.db2.gz GQCRPPHTGRVCDC-LRDDRELGSA-N 2 0 340.537 2.331 10 0 EEAERP C[C@H](CC[NH2+]CCc1c(F)cccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860171 1187773806 /nfs/dbraw/zinc/77/38/06/1187773806.db2.gz GBJDLSQDECDVBT-CXAGYDPISA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)CC[NH+](C)C ZINC001482866953 1187786961 /nfs/dbraw/zinc/78/69/61/1187786961.db2.gz DHGQMAYVKPQQKJ-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482875860 1187795483 /nfs/dbraw/zinc/79/54/83/1187795483.db2.gz BYFDECWORNRYIF-AWEZNQCLSA-N 2 0 348.491 2.268 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001483022221 1188011822 /nfs/dbraw/zinc/01/18/22/1188011822.db2.gz SKOITSVBCBSIHL-PTZVLDCSSA-N 2 0 338.521 2.108 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001483082600 1188445005 /nfs/dbraw/zinc/44/50/05/1188445005.db2.gz SLJMGWDKTORWDT-UCAFPWNGSA-N 2 0 345.462 2.417 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432591 1189665625 /nfs/dbraw/zinc/66/56/25/1189665625.db2.gz MJJQDJDCUGDTJN-CVEARBPZSA-N 2 0 331.504 2.500 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001409454822 1189703342 /nfs/dbraw/zinc/70/33/42/1189703342.db2.gz HIZPKAJVHAXLSV-HOTGVXAUSA-N 2 0 347.507 2.077 10 0 EEAERP CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CN(C)CCO2)cc1 ZINC001409501351 1189885657 /nfs/dbraw/zinc/88/56/57/1189885657.db2.gz CRAYAQNAKDNCIT-LPHOPBHVSA-N 2 0 347.503 2.077 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001483244305 1190273405 /nfs/dbraw/zinc/27/34/05/1190273405.db2.gz VAIHJIGTXVFIPE-LPHOPBHVSA-N 2 0 346.519 2.413 10 0 EEAERP C[C@@H](C[NH2+]CC/C=C\c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284722 1190308893 /nfs/dbraw/zinc/30/88/93/1190308893.db2.gz RRHPFVBOWCCVMH-OOYWPUHTSA-N 2 0 327.472 2.280 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001483296692 1190319329 /nfs/dbraw/zinc/31/93/29/1190319329.db2.gz OTUVHTRMXFIFEO-RDJZCZTQSA-N 2 0 349.523 2.107 10 0 EEAERP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CCF)c1cnn(-c2ccncc2)c1 ZINC001483441577 1190481857 /nfs/dbraw/zinc/48/18/57/1190481857.db2.gz IMNAAPGYMCQKDC-PBHICJAKSA-N 2 0 345.422 2.115 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccccc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001483561544 1190550505 /nfs/dbraw/zinc/55/05/05/1190550505.db2.gz SZGDQZYRPNQXJQ-RBUKOAKNSA-N 2 0 327.472 2.013 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001486147593 1193698531 /nfs/dbraw/zinc/69/85/31/1193698531.db2.gz KFDYRVBMXWQBLT-MJGOQNOKSA-N 2 0 330.476 2.037 10 0 EEAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001272441435 1190821781 /nfs/dbraw/zinc/82/17/81/1190821781.db2.gz WDBBGXPBSQQOIO-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272564174 1190879557 /nfs/dbraw/zinc/87/95/57/1190879557.db2.gz FWMWQJAWNOBITK-HOTGVXAUSA-N 2 0 335.517 2.418 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566091 1190881179 /nfs/dbraw/zinc/88/11/79/1190881179.db2.gz RSVFSWIWMKUKQD-SJORKVTESA-N 2 0 347.478 2.496 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740937 1190890503 /nfs/dbraw/zinc/89/05/03/1190890503.db2.gz XKCZLENTNKVANL-GDBMZVCRSA-N 2 0 325.472 2.380 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001272651906 1190961420 /nfs/dbraw/zinc/96/14/20/1190961420.db2.gz HIMHWCOHCREAID-HNNXBMFYSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)(C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC001483757319 1190983048 /nfs/dbraw/zinc/98/30/48/1190983048.db2.gz VURFVHMCYBLVFN-UHFFFAOYSA-N 2 0 333.451 2.439 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1(N[C@@H](C)c2cnccn2)CC1 ZINC001483773403 1191011238 /nfs/dbraw/zinc/01/12/38/1191011238.db2.gz JKSSLEAUXPVHKY-RDJZCZTQSA-N 2 0 345.491 2.039 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)s1 ZINC001483775075 1191018275 /nfs/dbraw/zinc/01/82/75/1191018275.db2.gz MJOFETWJITWENZ-GDBMZVCRSA-N 2 0 348.516 2.207 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483784834 1191027107 /nfs/dbraw/zinc/02/71/07/1191027107.db2.gz VDBBYFRFLPAFMU-HNNXBMFYSA-N 2 0 333.451 2.214 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@]3(CC[N@H+](CC4CC4)C3)C2)CC1 ZINC001484020210 1191158914 /nfs/dbraw/zinc/15/89/14/1191158914.db2.gz PWBIRRIOBUXLNU-LJQANCHMSA-N 2 0 333.520 2.443 10 0 EEAERP CC1(C)CC(C[NH2+]C[C@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001484123574 1191222958 /nfs/dbraw/zinc/22/29/58/1191222958.db2.gz ZGNVNAGOCQSDHC-IBGZPJMESA-N 2 0 333.520 2.347 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCOC)C1 ZINC001484173549 1191252331 /nfs/dbraw/zinc/25/23/31/1191252331.db2.gz GABPYAKNQDVNJB-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]([NH2+]Cc1cnc(Cl)s1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484349038 1191313418 /nfs/dbraw/zinc/31/34/18/1191313418.db2.gz YMTLUPRNNCSXLC-RYUDHWBXSA-N 2 0 344.912 2.075 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484374699 1191322126 /nfs/dbraw/zinc/32/21/26/1191322126.db2.gz AZBAASSXQUUHBR-FUHWJXTLSA-N 2 0 347.503 2.221 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001484381570 1191324181 /nfs/dbraw/zinc/32/41/81/1191324181.db2.gz RPJARGSVKFVFRP-HOCLYGCPSA-N 2 0 348.491 2.078 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001484521443 1191396836 /nfs/dbraw/zinc/39/68/36/1191396836.db2.gz RSCXCUPAEVGYHO-GWBWQHIQSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001484532856 1191401171 /nfs/dbraw/zinc/40/11/71/1191401171.db2.gz KSVIIFCAUJTBOZ-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484815733 1191534626 /nfs/dbraw/zinc/53/46/26/1191534626.db2.gz VIZWWGNMCMCSEG-UHFFFAOYSA-N 2 0 332.492 2.284 10 0 EEAERP CCC1([NH2+]C/C=C\Cl)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484816443 1191538037 /nfs/dbraw/zinc/53/80/37/1191538037.db2.gz IVHDMQRRAOLGFG-WTKPLQERSA-N 2 0 327.900 2.442 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CCCCCF)CC2)C1 ZINC001484926717 1191573387 /nfs/dbraw/zinc/57/33/87/1191573387.db2.gz IZOGFFDVYYCRBI-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)CCOCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484927903 1191573836 /nfs/dbraw/zinc/57/38/36/1191573836.db2.gz ZAWQNKFXZDLRQI-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001485037848 1191627381 /nfs/dbraw/zinc/62/73/81/1191627381.db2.gz JEUCXEWUBZMRRX-OKZBNKHCSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192210 1191686898 /nfs/dbraw/zinc/68/68/98/1191686898.db2.gz ZJAZKFHHAQFFPK-CABCVRRESA-N 2 0 335.467 2.459 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1)[NH+](C)C ZINC001485455481 1191791850 /nfs/dbraw/zinc/79/18/50/1191791850.db2.gz MJLJYVUAUKCSKF-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cccnc1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470481 1191801028 /nfs/dbraw/zinc/80/10/28/1191801028.db2.gz NKJVJYMAGPTJKU-GOSISDBHSA-N 2 0 344.503 2.250 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccncc2Cl)C(C)(C)C1 ZINC001486240446 1193766719 /nfs/dbraw/zinc/76/67/19/1193766719.db2.gz MJMIVGYFTHAOOQ-HNNXBMFYSA-N 2 0 338.883 2.013 10 0 EEAERP CCOCC[NH2+][C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001486244920 1193770632 /nfs/dbraw/zinc/77/06/32/1193770632.db2.gz PKEDVVPYRUQCEV-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCO[C@@H](C)C1)C(=O)C[NH+]1CCCC1 ZINC001486379908 1193890099 /nfs/dbraw/zinc/89/00/99/1193890099.db2.gz SQHPGRJHDLSGTN-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)C1 ZINC001486491098 1194003053 /nfs/dbraw/zinc/00/30/53/1194003053.db2.gz OHEHCRLNVBXLLS-HNNXBMFYSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272987225 1194295852 /nfs/dbraw/zinc/29/58/52/1194295852.db2.gz YZPHVZTZMPIDFD-HNNXBMFYSA-N 2 0 342.487 2.494 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019038 1194326296 /nfs/dbraw/zinc/32/62/96/1194326296.db2.gz RGLNQFLTQGFJRV-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001273051837 1194356962 /nfs/dbraw/zinc/35/69/62/1194356962.db2.gz GYNVYVKYFDICDH-CYBMUJFWSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@]12CN(C(=O)CC[C@@H]3CCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702042529 1195709383 /nfs/dbraw/zinc/70/93/83/1195709383.db2.gz FMVUFIQMNIMGKH-IRFCIJBXSA-N 2 0 341.499 2.499 10 0 EEAERP CC(C)OC[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702122499 1195747899 /nfs/dbraw/zinc/74/78/99/1195747899.db2.gz MLARNMBLZVUTNG-XUVXKRRUSA-N 2 0 332.488 2.226 10 0 EEAERP Cc1ccc(OCC[NH+]2CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001409979137 1196118400 /nfs/dbraw/zinc/11/84/00/1196118400.db2.gz UJYBMADXGHMBJX-QGZVFWFLSA-N 2 0 347.503 2.151 10 0 EEAERP CC1CC[NH+](CC[C@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001414706579 1197206854 /nfs/dbraw/zinc/20/68/54/1197206854.db2.gz YKHGLRIRGZZWSB-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001273201668 1197496922 /nfs/dbraw/zinc/49/69/22/1197496922.db2.gz BXMWIZGIMOXHFP-AWEZNQCLSA-N 2 0 336.480 2.152 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccs2)C1 ZINC001410245075 1197629738 /nfs/dbraw/zinc/62/97/38/1197629738.db2.gz VBLHVCCQHWEMPW-KKUMJFAQSA-N 2 0 336.505 2.002 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC001410395740 1197797761 /nfs/dbraw/zinc/79/77/61/1197797761.db2.gz PFRLNDSDJPVYTC-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001410399249 1197803495 /nfs/dbraw/zinc/80/34/95/1197803495.db2.gz UZIASTNQABGYKN-QFBILLFUSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)CCCCCC[NH3+] ZINC000872154927 1198062400 /nfs/dbraw/zinc/06/24/00/1198062400.db2.gz FLCJZWDWUCJVOJ-WBVHZDCISA-N 2 0 333.476 2.466 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cnc1F ZINC000865090458 1198082229 /nfs/dbraw/zinc/08/22/29/1198082229.db2.gz ZJJHJRKCFHKTTM-HNNXBMFYSA-N 2 0 336.455 2.017 10 0 EEAERP Cc1cccc2ncnc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c12 ZINC000866012928 1198454217 /nfs/dbraw/zinc/45/42/17/1198454217.db2.gz WHSOLSBFBQFFNJ-HZPDHXFCSA-N 2 0 327.476 2.114 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2OC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001410869945 1198515694 /nfs/dbraw/zinc/51/56/94/1198515694.db2.gz WYEGVONFXZGZPB-QAPCUYQASA-N 2 0 345.487 2.259 10 0 EEAERP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CO2 ZINC000873223142 1198534646 /nfs/dbraw/zinc/53/46/46/1198534646.db2.gz KSDSNFQENJUWIC-NEPJUHHUSA-N 2 0 325.250 2.484 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccn(C(C)C)n2)C(C)(C)C1 ZINC001411067990 1198750682 /nfs/dbraw/zinc/75/06/82/1198750682.db2.gz BJENDHXBHUCXQM-KRWDZBQOSA-N 2 0 349.523 2.132 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000870017952 1200410000 /nfs/dbraw/zinc/41/00/00/1200410000.db2.gz UOTYQSBXEMBYLG-MKXGPGLRSA-N 2 0 335.536 2.401 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C[NH+](C)C ZINC000870021468 1200411622 /nfs/dbraw/zinc/41/16/22/1200411622.db2.gz GPJOADCHSFOKGG-ZIAGYGMSSA-N 2 0 341.858 2.291 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000870907575 1200944272 /nfs/dbraw/zinc/94/42/72/1200944272.db2.gz ZBNREWPKCWECIN-FTSJTYPLSA-N 2 0 327.472 2.298 10 0 EEAERP CC[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000870918802 1200952813 /nfs/dbraw/zinc/95/28/13/1200952813.db2.gz QDLAWMZSMHERFK-RMJJICAUSA-N 2 0 327.472 2.067 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870956396 1200975955 /nfs/dbraw/zinc/97/59/55/1200975955.db2.gz UJIIFIFGGCOPRY-ZIAGYGMSSA-N 2 0 340.265 2.049 10 0 EEAERP CN1Cc2ccccc2[C@@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000870979778 1200987351 /nfs/dbraw/zinc/98/73/51/1200987351.db2.gz RMTXXFWGDWEPIR-IBGZPJMESA-N 2 0 338.455 2.329 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH+](C)C ZINC000866040916 1201412220 /nfs/dbraw/zinc/41/22/20/1201412220.db2.gz LRLOXYZTKHSNQI-CHWSQXEVSA-N 2 0 340.418 2.168 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)ccn2)CC1 ZINC000866235368 1201472653 /nfs/dbraw/zinc/47/26/53/1201472653.db2.gz BSHUPQFZBXOIOU-QUCCMNQESA-N 2 0 344.503 2.271 10 0 EEAERP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703275 1201584307 /nfs/dbraw/zinc/58/43/07/1201584307.db2.gz HVUOTNJQXJBSHL-KDOFPFPSSA-N 2 0 337.533 2.492 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000868097906 1201742868 /nfs/dbraw/zinc/74/28/68/1201742868.db2.gz JZVAPPWBSZQOMY-XDNAFOTISA-N 2 0 336.524 2.090 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)NC1CC([NH+]2CCCCC2)C1 ZINC000795019872 1201819395 /nfs/dbraw/zinc/81/93/95/1201819395.db2.gz YQSUYXNGUBNLQN-UHFFFAOYSA-N 2 0 326.554 2.055 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCOCC1 ZINC001273979996 1202184604 /nfs/dbraw/zinc/18/46/04/1202184604.db2.gz RDDMHVAWULEXNE-UHFFFAOYSA-N 2 0 344.459 2.311 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccns1)[NH+]1CCCCC1 ZINC001274027256 1204335233 /nfs/dbraw/zinc/33/52/33/1204335233.db2.gz VCYKZRCSBLHCEL-SNAWJCMRSA-N 2 0 336.505 2.170 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1F)C12CCC[NH+](CCC1)C2 ZINC001274119366 1204386107 /nfs/dbraw/zinc/38/61/07/1204386107.db2.gz MCQVKFWPRCHOJE-ONEGZZNKSA-N 2 0 345.462 2.464 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccnc1C ZINC001274608682 1205095697 /nfs/dbraw/zinc/09/56/97/1205095697.db2.gz HCIVVVDROUDSCV-DUMMIQTOSA-N 2 0 330.476 2.026 10 0 EEAERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001275684894 1205483840 /nfs/dbraw/zinc/48/38/40/1205483840.db2.gz KPDCUEWCDAKZSH-GFCCVEGCSA-N 2 0 325.419 2.353 10 0 EEAERP O=C(CCn1ccnc1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001275780646 1205524136 /nfs/dbraw/zinc/52/41/36/1205524136.db2.gz KNJOLLHSPCQLAY-ZIAGYGMSSA-N 2 0 346.397 2.490 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(F)(F)F ZINC001276100215 1205780338 /nfs/dbraw/zinc/78/03/38/1205780338.db2.gz ZKEOCFWAQQURRW-AWEZNQCLSA-N 2 0 337.430 2.497 10 0 EEAERP CCCc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC001276173528 1205813777 /nfs/dbraw/zinc/81/37/77/1205813777.db2.gz HDOYHQDSQAUTCN-OAHLLOKOSA-N 2 0 338.521 2.128 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CCc2cccs2)CC1 ZINC001276297581 1205873133 /nfs/dbraw/zinc/87/31/33/1205873133.db2.gz LZMRWQNHAGRVLQ-UHFFFAOYSA-N 2 0 337.533 2.461 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)cn2)CC1 ZINC000924624929 1206006245 /nfs/dbraw/zinc/00/62/45/1206006245.db2.gz DDTLOPWOXQSDOK-AZUAARDMSA-N 2 0 344.503 2.128 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCN(CC[NH+](C)C)CC2)n(C)n1 ZINC000924634240 1206007745 /nfs/dbraw/zinc/00/77/45/1206007745.db2.gz CEESOKCVSKNEHW-YLJYHZDGSA-N 2 0 347.551 2.055 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000924693419 1206019550 /nfs/dbraw/zinc/01/95/50/1206019550.db2.gz ZCPLRDJNNNEVSO-ABSDTBQOSA-N 2 0 331.504 2.337 10 0 EEAERP C[C@H](C[NH2+][C@H]1COCc2cccc(Cl)c21)CN1CC[NH+](C)CC1 ZINC000924952264 1206054742 /nfs/dbraw/zinc/05/47/42/1206054742.db2.gz WTCVIXAIUDFYTB-PBHICJAKSA-N 2 0 337.895 2.384 10 0 EEAERP C[C@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924965592 1206056077 /nfs/dbraw/zinc/05/60/77/1206056077.db2.gz YFMAXMGYWFCMAU-BXWFABGCSA-N 2 0 346.494 2.322 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925328279 1206097474 /nfs/dbraw/zinc/09/74/74/1206097474.db2.gz VUXWJPVEJGEJJB-BHIYHBOVSA-N 2 0 344.503 2.243 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925505851 1206120955 /nfs/dbraw/zinc/12/09/55/1206120955.db2.gz UEAGLOKDOCNOTB-BDXSIMOUSA-N 2 0 334.460 2.103 10 0 EEAERP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925505613 1206121028 /nfs/dbraw/zinc/12/10/28/1206121028.db2.gz QFNDZVPDZCOBOZ-KURKYZTESA-N 2 0 345.535 2.088 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925597374 1206134050 /nfs/dbraw/zinc/13/40/50/1206134050.db2.gz YSUXVOGPGSWNCY-UXHICEINSA-N 2 0 342.531 2.448 10 0 EEAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1OCCO ZINC000925613534 1206136142 /nfs/dbraw/zinc/13/61/42/1206136142.db2.gz RYGMXFCCABBJDS-ROUUACIJSA-N 2 0 348.487 2.324 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650137 1206139759 /nfs/dbraw/zinc/13/97/59/1206139759.db2.gz MSMUZJHLVZVVJY-KURKYZTESA-N 2 0 331.529 2.464 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925664774 1206141570 /nfs/dbraw/zinc/14/15/70/1206141570.db2.gz AQVCYDXNCWHOET-HZSPNIEDSA-N 2 0 325.250 2.342 10 0 EEAERP C[NH+](C)CCCOc1cnccc1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925667698 1206142023 /nfs/dbraw/zinc/14/20/23/1206142023.db2.gz DWRNCOJMPYHJCF-NEWSRXKRSA-N 2 0 346.519 2.278 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925715900 1206146131 /nfs/dbraw/zinc/14/61/31/1206146131.db2.gz JVQHFBXXGSXHJD-LJQANCHMSA-N 3 0 346.519 2.047 10 0 EEAERP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000925799967 1206154841 /nfs/dbraw/zinc/15/48/41/1206154841.db2.gz QLOGSBPOJXFJHS-NUJGCVRESA-N 2 0 347.503 2.440 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000925813025 1206156855 /nfs/dbraw/zinc/15/68/55/1206156855.db2.gz QUQWIVZNCDABBT-LJQANCHMSA-N 2 0 328.435 2.323 10 0 EEAERP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816979 1206157219 /nfs/dbraw/zinc/15/72/19/1206157219.db2.gz KLWDSFPTDUXFJA-PMACEKPBSA-N 2 0 331.504 2.387 10 0 EEAERP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925851512 1206160479 /nfs/dbraw/zinc/16/04/79/1206160479.db2.gz YVOULZUSWTWIPI-SFHVURJKSA-N 2 0 346.519 2.377 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925849344 1206160525 /nfs/dbraw/zinc/16/05/25/1206160525.db2.gz INJFYMSRFQTRIK-HOTGVXAUSA-N 2 0 346.475 2.306 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856819 1206161614 /nfs/dbraw/zinc/16/16/14/1206161614.db2.gz XKGJNCJENLMVIA-GOEBONIOSA-N 2 0 330.428 2.175 10 0 EEAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925916877 1206168096 /nfs/dbraw/zinc/16/80/96/1206168096.db2.gz RURCXFAJJRFTFN-QGZVFWFLSA-N 2 0 349.523 2.494 10 0 EEAERP OCC1CC[NH+](Cc2cccc(N[C@@H]3C[N@@H+]4C[C@@H]3CCC4)c2)CC1 ZINC000925928425 1206170554 /nfs/dbraw/zinc/17/05/54/1206170554.db2.gz VYLMFSROYVELJS-AZUAARDMSA-N 2 0 329.488 2.397 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925936109 1206171473 /nfs/dbraw/zinc/17/14/73/1206171473.db2.gz JHIIBRDQAOZUSX-YRPNKDGESA-N 2 0 341.499 2.220 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925954793 1206174163 /nfs/dbraw/zinc/17/41/63/1206174163.db2.gz ZQFDLSFLFCCCQU-IEBWSBKVSA-N 2 0 346.475 2.281 10 0 EEAERP COC/C(C)=C/C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000930451923 1206558878 /nfs/dbraw/zinc/55/88/78/1206558878.db2.gz XFZMUIARWKFWLX-DJKKODMXSA-N 2 0 331.504 2.329 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931021949 1206600735 /nfs/dbraw/zinc/60/07/35/1206600735.db2.gz LYAUOZQIFKDGQE-QFBILLFUSA-N 2 0 330.476 2.206 10 0 EEAERP Cc1ncoc1C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001691735934 1210558569 /nfs/dbraw/zinc/55/85/69/1210558569.db2.gz CORIHUAKGDHICQ-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[C@@](C)([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720794962 1217718133 /nfs/dbraw/zinc/71/81/33/1217718133.db2.gz AVENLLREJJHTKQ-DFQSSKMNSA-N 2 0 329.488 2.484 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)C(=O)NCC[NH+](C)C ZINC000421838313 1217867841 /nfs/dbraw/zinc/86/78/41/1217867841.db2.gz UIBCTURXDXJSAJ-HKUYNNGSSA-N 2 0 346.519 2.011 10 0 EEAERP CC(C)[C@@](O)(C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001413052436 1222640752 /nfs/dbraw/zinc/64/07/52/1222640752.db2.gz ZWLWAJDHHAGGLO-NRFANRHFSA-N 2 0 345.531 2.242 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1)N1CC[NH+](C)CC1 ZINC000902793362 1238543223 /nfs/dbraw/zinc/54/32/23/1238543223.db2.gz IKIYBZUFRPVYKT-IAGOWNOFSA-N 2 0 327.476 2.159 10 0 EEAERP C[NH+](C)CC[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000903376373 1240343000 /nfs/dbraw/zinc/34/30/00/1240343000.db2.gz CSEFTPAKSOVBAI-PMACEKPBSA-N 2 0 346.519 2.307 10 0 EEAERP C[C@]1([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)COC(=O)N1 ZINC000903562030 1240948413 /nfs/dbraw/zinc/94/84/13/1240948413.db2.gz VIAZXRXEOKGAMX-VQIMIIECSA-N 2 0 329.444 2.043 10 0 EEAERP c1ccc(CN2CCOCC2)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903922954 1242514377 /nfs/dbraw/zinc/51/43/77/1242514377.db2.gz IDWHPSKJWCOFIU-XGSMCBPESA-N 2 0 329.488 2.139 10 0 EEAERP CC[C@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000903923486 1242516746 /nfs/dbraw/zinc/51/67/46/1242516746.db2.gz VIYDUXXTWHVCQF-SJLPKXTDSA-N 2 0 343.475 2.458 10 0 EEAERP CCOCc1ccccc1C[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925561 1242521149 /nfs/dbraw/zinc/52/11/49/1242521149.db2.gz NYNBGKMRGNOFOI-INIZCTEOSA-N 2 0 330.476 2.172 10 0 EEAERP COC(=O)c1cc(C2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)no1 ZINC000903938027 1242587998 /nfs/dbraw/zinc/58/79/98/1242587998.db2.gz XVOYUHVQAHKUBR-LQDVMPOASA-N 2 0 333.432 2.171 10 0 EEAERP c1[nH]nc(-c2ccccc2)c1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974572 1242812437 /nfs/dbraw/zinc/81/24/37/1242812437.db2.gz QTLQUFGUAMLVGU-QGZVFWFLSA-N 2 0 326.444 2.325 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ncc(C(C)(C)C)s1)C2 ZINC000903976819 1242825233 /nfs/dbraw/zinc/82/52/33/1242825233.db2.gz BZOYUXASJBLIAC-JKDFXYPNSA-N 2 0 337.489 2.153 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903981281 1242848740 /nfs/dbraw/zinc/84/87/40/1242848740.db2.gz AUERBWZBZIATAF-HOTGVXAUSA-N 2 0 345.409 2.339 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001490958069 1258509926 /nfs/dbraw/zinc/50/99/26/1258509926.db2.gz MVBMNLYSABLBHN-QAQDUYKDSA-N 2 0 332.492 2.282 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001491085793 1258651308 /nfs/dbraw/zinc/65/13/08/1258651308.db2.gz RGLFSYIITXXHTQ-GASCZTMLSA-N 2 0 336.505 2.146 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1nc2ccccc2o1 ZINC001491453761 1259089969 /nfs/dbraw/zinc/08/99/69/1259089969.db2.gz DGUUFRVDLZIFBN-HOCLYGCPSA-N 2 0 344.459 2.295 10 0 EEAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001267885426 1276741101 /nfs/dbraw/zinc/74/11/01/1276741101.db2.gz ROIDLKADNKBCKO-WMLDXEAASA-N 2 0 333.480 2.028 10 0 EEAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001489211885 1290450207 /nfs/dbraw/zinc/45/02/07/1290450207.db2.gz LJSJUDWAEDXRQZ-UHFFFAOYSA-N 2 0 327.513 2.066 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001489240210 1290490679 /nfs/dbraw/zinc/49/06/79/1290490679.db2.gz LJFVHYVFJMAKEP-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cnn(C(C)(C)C)c1 ZINC001490214916 1291005054 /nfs/dbraw/zinc/00/50/54/1291005054.db2.gz XKSXUVQJHMXONT-KRWDZBQOSA-N 2 0 349.523 2.061 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001490250637 1291066357 /nfs/dbraw/zinc/06/63/57/1291066357.db2.gz NLZMCCTYVDILQL-SFHVURJKSA-N 2 0 330.476 2.446 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)C1 ZINC001490549770 1291422606 /nfs/dbraw/zinc/42/26/06/1291422606.db2.gz GLTRTZZONLAPAA-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C(=O)OC ZINC000851984713 1291942409 /nfs/dbraw/zinc/94/24/09/1291942409.db2.gz DYZUPOAZQZSLFE-FUHWJXTLSA-N 2 0 328.497 2.277 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852871390 1292222644 /nfs/dbraw/zinc/22/26/44/1292222644.db2.gz NCIACYZTPJZMFU-LPHOPBHVSA-N 2 0 327.472 2.323 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852884546 1292224173 /nfs/dbraw/zinc/22/41/73/1292224173.db2.gz KTBDOFIMZBVTGN-QGZVFWFLSA-N 2 0 327.472 2.419 10 0 EEAERP O=C1O[C@@]2(CN1C[N@H+](CCC1CC1)CC1CC1)C[NH+]1CCC2CC1 ZINC000853607685 1292424850 /nfs/dbraw/zinc/42/48/50/1292424850.db2.gz SPRHKZGKBVBZNQ-LJQANCHMSA-N 2 0 333.476 2.373 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3ccnc3C)C2)ccn1 ZINC000856584989 1293572189 /nfs/dbraw/zinc/57/21/89/1293572189.db2.gz WOWGTKDKXCDBKL-IBGZPJMESA-N 2 0 343.475 2.192 10 0 EEAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)ccc1OC ZINC000858493695 1294132593 /nfs/dbraw/zinc/13/25/93/1294132593.db2.gz DQUGNUNVIXOOPA-FRFSOERESA-N 2 0 333.476 2.452 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858500306 1294135648 /nfs/dbraw/zinc/13/56/48/1294135648.db2.gz AFRDFFODTHGXSG-HZPDHXFCSA-N 2 0 343.512 2.190 10 0 EEAERP C[C@H]1CCC[C@H](CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000863550135 1296329993 /nfs/dbraw/zinc/32/99/93/1296329993.db2.gz ZFEWVHWQYGXSJK-IDCNUPLLSA-N 2 0 335.492 2.460 10 0 EEAERP O=C(C[C@@H]1CC=CCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000931255849 1297127005 /nfs/dbraw/zinc/12/70/05/1297127005.db2.gz VNJAUGRUHLFAPA-GOSISDBHSA-N 2 0 342.487 2.456 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncn1C ZINC001277314249 1302341591 /nfs/dbraw/zinc/34/15/91/1302341591.db2.gz OWFVVGIUHJDCNV-SJLPKXTDSA-N 2 0 349.523 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCCCOC)C2 ZINC001277473558 1303560621 /nfs/dbraw/zinc/56/06/21/1303560621.db2.gz GFHGUGSLTCIDCK-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001277755361 1304347189 /nfs/dbraw/zinc/34/71/89/1304347189.db2.gz HNNWVAUDSHGHJO-LSDHHAIUSA-N 2 0 345.422 2.210 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001278018248 1305697799 /nfs/dbraw/zinc/69/77/99/1305697799.db2.gz ZCFKNOSASITQHL-WBVHZDCISA-N 2 0 335.467 2.147 10 0 EEAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001278411531 1310135809 /nfs/dbraw/zinc/13/58/09/1310135809.db2.gz SGFAWSCDBJPDLC-MBZYTVFJSA-N 2 0 337.508 2.033 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)s1 ZINC001278417748 1310174504 /nfs/dbraw/zinc/17/45/04/1310174504.db2.gz XBMHXUCOKBBLEB-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1nocc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001278422644 1310200736 /nfs/dbraw/zinc/20/07/36/1310200736.db2.gz FGXKWDKWVGUPEN-CRAIPNDOSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@@H]1CC[C@@H](O)C[NH+]1CC[Si](C)(C)CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC001261800039 1322178700 /nfs/dbraw/zinc/17/87/00/1322178700.db2.gz DUZARRFYYIFHOA-USTZCAOPSA-N 2 0 342.600 2.385 10 0 EEAERP C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)C1CC[NH+](C)CC1 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QWWGBQDGDHDIIV-ZWKOTPCHSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC001265492409 1323181237 /nfs/dbraw/zinc/18/12/37/1323181237.db2.gz QMMZGQGZUZZLKU-JHJVBQTASA-N 2 0 348.318 2.149 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCOC3CCC3)C2)c1 ZINC001265571757 1323225286 /nfs/dbraw/zinc/22/52/86/1323225286.db2.gz ZHVSOBQBFVMKOY-HDICACEKSA-N 2 0 345.487 2.168 10 0 EEAERP COCCCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001265739619 1323358314 /nfs/dbraw/zinc/35/83/14/1323358314.db2.gz TUYUGKRJWAONKR-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)[C@@H](C)c2cnccn2)C1 ZINC001265907758 1323475372 /nfs/dbraw/zinc/47/53/72/1323475372.db2.gz BTOMJWNWFSQTEU-IRXDYDNUSA-N 2 0 347.507 2.098 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001265973870 1323533490 /nfs/dbraw/zinc/53/34/90/1323533490.db2.gz CIUKSYDHBRHVGG-MSOLQXFVSA-N 2 0 347.503 2.154 10 0 EEAERP 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TZTLMNFSQPNRSS-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP COCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001318807161 1332602193 /nfs/dbraw/zinc/60/21/93/1332602193.db2.gz WPKSDUICOJYKKL-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001318958596 1332629075 /nfs/dbraw/zinc/62/90/75/1332629075.db2.gz DVKRRXNDDDTCKF-BRSBDYLESA-N 2 0 339.524 2.039 10 0 EEAERP COCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001318969787 1332631074 /nfs/dbraw/zinc/63/10/74/1332631074.db2.gz TUYUGKRJWAONKR-IYARVYRRSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001319808908 1332773103 /nfs/dbraw/zinc/77/31/03/1332773103.db2.gz LVWUUPNNALGVQH-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCF)[NH+]1CCCCC1 ZINC001320135889 1332835685 /nfs/dbraw/zinc/83/56/85/1332835685.db2.gz XZCSPSGYURIBJE-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320463288 1332889725 /nfs/dbraw/zinc/88/97/25/1332889725.db2.gz GOMNJDXJCNWWGW-QAPCUYQASA-N 2 0 349.523 2.241 10 0 EEAERP COc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001320522445 1332902199 /nfs/dbraw/zinc/90/21/99/1332902199.db2.gz GLBZYWBTCWWPEE-APWZRJJASA-N 2 0 347.503 2.206 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001320531365 1332904707 /nfs/dbraw/zinc/90/47/07/1332904707.db2.gz WRGPTFOQZHWWFE-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001320545386 1332907229 /nfs/dbraw/zinc/90/72/29/1332907229.db2.gz XDBUCVWQPUXYRL-MRXNPFEDSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320547968 1332907590 /nfs/dbraw/zinc/90/75/90/1332907590.db2.gz IGOAJNNOIATHAQ-HZPDHXFCSA-N 2 0 345.487 2.043 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1F ZINC001321065557 1333009603 /nfs/dbraw/zinc/00/96/03/1333009603.db2.gz BFEHUSLDIUKPMS-GGLWBYQJSA-N 2 0 333.451 2.489 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321107323 1333020901 /nfs/dbraw/zinc/02/09/01/1333020901.db2.gz NIOHDDNPBJZRAW-DKFQHHCZSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@H](C[NH2+]CCCCC1CCOCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001321642202 1333137018 /nfs/dbraw/zinc/13/70/18/1333137018.db2.gz TVTZBIRUICERGP-MRXNPFEDSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(C)(NCC(F)(F)C(F)F)CC1 ZINC001328016981 1334379418 /nfs/dbraw/zinc/37/94/18/1334379418.db2.gz GIQUEJVIKLAAFR-UHFFFAOYSA-N 2 0 341.393 2.199 10 0 EEAERP CCOCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001328568339 1334481304 /nfs/dbraw/zinc/48/13/04/1334481304.db2.gz VJORMDFTZDKQGD-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001331613556 1335045654 /nfs/dbraw/zinc/04/56/54/1335045654.db2.gz CWONKRIZQQSKLI-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCC[NH+](C)C ZINC001332031714 1335710554 /nfs/dbraw/zinc/71/05/54/1335710554.db2.gz YSIOEVSXKIYNTJ-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCCF)C(C)(C)C1 ZINC001332396530 1335817224 /nfs/dbraw/zinc/81/72/24/1335817224.db2.gz DAZCQWXZXHOAIQ-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001332470307 1335830883 /nfs/dbraw/zinc/83/08/83/1335830883.db2.gz JBIZVSZMVYMIBI-UONOGXRCSA-N 2 0 337.430 2.353 10 0 EEAERP Cc1nccn1-c1cc[nH+]cc1NC(=O)/C=C\COC1CCOCC1 ZINC001348550280 1337559798 /nfs/dbraw/zinc/55/97/98/1337559798.db2.gz RRJKPBIVQVZODO-IHWYPQMZSA-N 2 0 342.399 2.266 10 0 EEAERP CNC(=O)[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001434475600 1341852430 /nfs/dbraw/zinc/85/24/30/1341852430.db2.gz MTQPTHZCGDBPTE-FQEVSTJZSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCCc2ccccc2)C1 ZINC001436322247 1342026553 /nfs/dbraw/zinc/02/65/53/1342026553.db2.gz NDDWBOZXNPOFLF-UYAOXDASSA-N 2 0 343.515 2.494 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CCCCCF)C2)CC1 ZINC001500271410 1342125484 /nfs/dbraw/zinc/12/54/84/1342125484.db2.gz FKLXRAKGEAGLCS-GOSISDBHSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001671804344 1356417696 /nfs/dbraw/zinc/41/76/96/1356417696.db2.gz AEZPVLHZBMHPRG-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP COCCCC[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567172613 1342704092 /nfs/dbraw/zinc/70/40/92/1342704092.db2.gz OYZHEMURBGLYST-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCCOc2ccccc2)CC[N@@H+]1C ZINC001567299900 1342736075 /nfs/dbraw/zinc/73/60/75/1342736075.db2.gz UIKFWHXVUCHKEG-ROUUACIJSA-N 2 0 347.503 2.234 10 0 EEAERP O=C(NCC1([NH2+]CCCc2ccccc2)CC1)C12CCC[NH+]1CCC2 ZINC001569407618 1342866143 /nfs/dbraw/zinc/86/61/43/1342866143.db2.gz GHRYYFIYFSGYLS-UHFFFAOYSA-N 2 0 341.499 2.486 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CC[C@@H]3CCCCO3)CC2)CC1 ZINC001571693813 1343276377 /nfs/dbraw/zinc/27/63/77/1343276377.db2.gz MLGDPRAQOVXGBS-SFHVURJKSA-N 2 0 349.519 2.036 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766706 1357196750 /nfs/dbraw/zinc/19/67/50/1357196750.db2.gz HSGFKSXIUQCSHP-HOCLYGCPSA-N 2 0 336.480 2.048 10 0 EEAERP CCOCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001677014046 1357262723 /nfs/dbraw/zinc/26/27/23/1357262723.db2.gz VECHETSYLJDAKD-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001677033115 1357266446 /nfs/dbraw/zinc/26/64/46/1357266446.db2.gz SJXOBFXQSCDLDS-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCc2cccs2)C(C)(C)C)C1 ZINC001677306639 1357310799 /nfs/dbraw/zinc/31/07/99/1357310799.db2.gz MTFVDQQOALQUKG-GDBMZVCRSA-N 2 0 337.533 2.363 10 0 EEAERP Cc1ccccc1C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001677497274 1357340933 /nfs/dbraw/zinc/34/09/33/1357340933.db2.gz VIZOBCSBLMDGSI-LJQANCHMSA-N 2 0 347.503 2.044 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001630690881 1352571807 /nfs/dbraw/zinc/57/18/07/1352571807.db2.gz SZEYJOYMXXKLCH-HNNXBMFYSA-N 2 0 326.444 2.451 10 0 EEAERP CC(C)OCCC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001649441879 1353507333 /nfs/dbraw/zinc/50/73/33/1353507333.db2.gz YYABXBMWMHLNDJ-SFHVURJKSA-N 2 0 345.503 2.062 10 0 EEAERP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001650014785 1353688528 /nfs/dbraw/zinc/68/85/28/1353688528.db2.gz IOSMQJKFKHCWAT-PNRVRQOCSA-N 2 0 331.464 2.078 10 0 EEAERP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001650613976 1354023813 /nfs/dbraw/zinc/02/38/13/1354023813.db2.gz YDIVDKACKSHFOX-ROUUACIJSA-N 2 0 328.460 2.184 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001654216205 1354143828 /nfs/dbraw/zinc/14/38/28/1354143828.db2.gz ONVPXAVABLPDOZ-KZNAEPCWSA-N 2 0 344.503 2.392 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001656098440 1354200836 /nfs/dbraw/zinc/20/08/36/1354200836.db2.gz UXKRDCINXIEUIQ-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001656889622 1354294502 /nfs/dbraw/zinc/29/45/02/1354294502.db2.gz NAOBAABNHDLZLR-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccsc1 ZINC001660528568 1354481345 /nfs/dbraw/zinc/48/13/45/1354481345.db2.gz ALSYWOPZIIOAAJ-KRWDZBQOSA-N 2 0 335.517 2.418 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001660529268 1354481878 /nfs/dbraw/zinc/48/18/78/1354481878.db2.gz PASNGNHVVVBCNT-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)Cc2cnccc2C)CC[N@@H+]1C ZINC001660529393 1354482354 /nfs/dbraw/zinc/48/23/54/1354482354.db2.gz USLHSSBPQKEZCC-RBUKOAKNSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001661399232 1354634655 /nfs/dbraw/zinc/63/46/55/1354634655.db2.gz FXPJOPVVPOAVRT-LNLFQRSKSA-N 2 0 345.487 2.013 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661832292 1354705669 /nfs/dbraw/zinc/70/56/69/1354705669.db2.gz IEJIAAHFUYBBEY-ZIAGYGMSSA-N 2 0 348.318 2.475 10 0 EEAERP Cc1c(C(=O)NCC[C@@H](C)[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001662940578 1354878714 /nfs/dbraw/zinc/87/87/14/1354878714.db2.gz UDFWRMISNRKEKT-CQSZACIVSA-N 2 0 332.448 2.166 10 0 EEAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCOCC1)[NH+](C)C ZINC001663071756 1354907435 /nfs/dbraw/zinc/90/74/35/1354907435.db2.gz INZVGAZAXRXWNO-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001664018609 1355075237 /nfs/dbraw/zinc/07/52/37/1355075237.db2.gz WAONJNVRFBPLTF-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cccc(OCC[NH2+]CCN(C)C(=O)C(C)(C)c2cnc[nH]2)c1 ZINC001664309571 1355136252 /nfs/dbraw/zinc/13/62/52/1355136252.db2.gz VXLNQDQJRVFECK-UHFFFAOYSA-N 2 0 344.459 2.123 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCc3cccs3)CCCC2)C1 ZINC001665963683 1355416455 /nfs/dbraw/zinc/41/64/55/1355416455.db2.gz CORKCZHWAYKWGX-OAHLLOKOSA-N 2 0 335.517 2.261 10 0 EEAERP O=C(N1CCC(CC[NH2+]CCCF)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001666259858 1355498779 /nfs/dbraw/zinc/49/87/79/1355498779.db2.gz YAYMBXDSGZNRER-SFHVURJKSA-N 2 0 325.472 2.050 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667033372 1355636772 /nfs/dbraw/zinc/63/67/72/1355636772.db2.gz LHEJPWJFASRYMR-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667053665 1355639300 /nfs/dbraw/zinc/63/93/00/1355639300.db2.gz HQTTVKKNAFFNTK-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001667262754 1355691773 /nfs/dbraw/zinc/69/17/73/1355691773.db2.gz QPFZAJMIWQOAIR-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCOC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001668153254 1355886468 /nfs/dbraw/zinc/88/64/68/1355886468.db2.gz SJXKHPGTRXWLJO-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668235112 1355906259 /nfs/dbraw/zinc/90/62/59/1355906259.db2.gz YEWNRWNCTMVZHB-IAGOWNOFSA-N 2 0 332.492 2.331 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccn2)CC1 ZINC001668264452 1355912458 /nfs/dbraw/zinc/91/24/58/1355912458.db2.gz YKJWDIWAQFXENT-INIZCTEOSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001668274809 1355913869 /nfs/dbraw/zinc/91/38/69/1355913869.db2.gz ZUTWZOIKQPEMBN-HZPDHXFCSA-N 2 0 335.467 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(F)cn1 ZINC001668445429 1355942521 /nfs/dbraw/zinc/94/25/21/1355942521.db2.gz MZVUPKCLVGJWTJ-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001668853222 1356022967 /nfs/dbraw/zinc/02/29/67/1356022967.db2.gz FDZOMGLKHMYQLI-JXCVUKRWSA-N 2 0 333.451 2.462 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001668854674 1356024478 /nfs/dbraw/zinc/02/44/78/1356024478.db2.gz UYSUVNHHVBCKFD-WHLIDYPQSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973355 1356058772 /nfs/dbraw/zinc/05/87/72/1356058772.db2.gz PPNLEUQWTMXMHR-SNAWJCMRSA-N 2 0 330.476 2.026 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001669039188 1356074104 /nfs/dbraw/zinc/07/41/04/1356074104.db2.gz KXDFUJDYQWRBIL-SREVYHEPSA-N 2 0 332.492 2.130 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001669458242 1356162318 /nfs/dbraw/zinc/16/23/18/1356162318.db2.gz RMZKJJMGSCFYJP-UTKZUKDTSA-N 2 0 343.515 2.372 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001671735615 1356404601 /nfs/dbraw/zinc/40/46/01/1356404601.db2.gz MIHCGDPCIWDJIE-SUMDDJOVSA-N 2 0 349.544 2.459 10 0 EEAERP CCc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001672176634 1356474241 /nfs/dbraw/zinc/47/42/41/1356474241.db2.gz LVJDIBJUCFSNLW-ROUUACIJSA-N 2 0 335.467 2.450 10 0 EEAERP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001672975059 1356624999 /nfs/dbraw/zinc/62/49/99/1356624999.db2.gz VRIMOPACOBCRRD-WKILWMFISA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001673230084 1356655746 /nfs/dbraw/zinc/65/57/46/1356655746.db2.gz HEDQXXKJIICNFN-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001673390764 1356683703 /nfs/dbraw/zinc/68/37/03/1356683703.db2.gz HIAIDHAOAZOCBS-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCCCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001673961739 1356765459 /nfs/dbraw/zinc/76/54/59/1356765459.db2.gz PBRHAQBQJWZXSI-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCCCF)C2 ZINC001675653643 1357029323 /nfs/dbraw/zinc/02/93/23/1357029323.db2.gz AKDVUVXUDIXHNQ-INIZCTEOSA-N 2 0 325.472 2.145 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncn1C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001675899984 1357065861 /nfs/dbraw/zinc/06/58/61/1357065861.db2.gz ZNTSMQVONVNGEB-INIZCTEOSA-N 2 0 349.523 2.059 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001691708371 1368767322 /nfs/dbraw/zinc/76/73/22/1368767322.db2.gz MXILNUKFRRNARR-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCc1ccc(Cl)cc1 ZINC001698774142 1405054420 /nfs/dbraw/zinc/05/44/20/1405054420.db2.gz YXCCLLKHIGBXAZ-HNNXBMFYSA-N 2 0 349.906 2.320 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001698915200 1405156847 /nfs/dbraw/zinc/15/68/47/1405156847.db2.gz WYAOEEUNEFVPBD-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)c2cnc[nH]2)o1 ZINC001699545580 1405379491 /nfs/dbraw/zinc/37/94/91/1405379491.db2.gz WCAMWBREDLUIHQ-CYBMUJFWSA-N 2 0 333.436 2.183 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)no1 ZINC001699554645 1405393669 /nfs/dbraw/zinc/39/36/69/1405393669.db2.gz VOUFGOVGHSWSJL-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001699700098 1405453895 /nfs/dbraw/zinc/45/38/95/1405453895.db2.gz LYWXJXBLCDUYCJ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1)C1CCC1 ZINC001699749640 1405465447 /nfs/dbraw/zinc/46/54/47/1405465447.db2.gz MYVWPQAIHSRKSE-IBGZPJMESA-N 2 0 329.488 2.294 10 0 EEAERP C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCCCC1 ZINC000919655197 770155787 /nfs/dbraw/zinc/15/57/87/770155787.db2.gz UEPJMMFQGGQNPL-HKUYNNGSSA-N 2 0 346.519 2.333 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC3CCC2(C[NH3+])CC3)cc(Cl)n1 ZINC000846680084 790380833 /nfs/dbraw/zinc/38/08/33/790380833.db2.gz OKHSRMJGJDEWNH-TVIZTDCDSA-N 2 0 336.867 2.163 10 0 EEAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)O1 ZINC000925835368 779060285 /nfs/dbraw/zinc/06/02/85/779060285.db2.gz SHWVXTLYGDCVHG-KHMAMNHCSA-N 2 0 336.398 2.233 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809627878 783254498 /nfs/dbraw/zinc/25/44/98/783254498.db2.gz JIKYVZUITCQMSA-UHFFFAOYSA-N 2 0 325.478 2.399 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000819058629 785378993 /nfs/dbraw/zinc/37/89/93/785378993.db2.gz OLFLENJZAYUNMU-BEFAXECRSA-N 2 0 337.483 2.031 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000819174752 785447295 /nfs/dbraw/zinc/44/72/95/785447295.db2.gz RCPQOXGLHNSJMG-XUVXKRRUSA-N 2 0 332.488 2.386 10 0 EEAERP Cc1ccc(CN(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000820074645 785798371 /nfs/dbraw/zinc/79/83/71/785798371.db2.gz LWMZKHCWCQWGIQ-AWEZNQCLSA-N 2 0 340.537 2.470 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000913082877 788615293 /nfs/dbraw/zinc/61/52/93/788615293.db2.gz LUZXQDLKLIUUPT-CEWLAPEOSA-N 2 0 341.499 2.309 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921527972 789036079 /nfs/dbraw/zinc/03/60/79/789036079.db2.gz QIVIQQWNRXSSMP-UHFFFAOYSA-N 2 0 332.448 2.041 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923328064 789372277 /nfs/dbraw/zinc/37/22/77/789372277.db2.gz JLKCCXCMMCWYDQ-FCLJQHQZSA-N 2 0 334.460 2.040 10 0 EEAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923390079 789474823 /nfs/dbraw/zinc/47/48/23/789474823.db2.gz AZYRBLHVSSJFSD-SOAMZJECSA-N 2 0 348.487 2.096 10 0 EEAERP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923456262 789572635 /nfs/dbraw/zinc/57/26/35/789572635.db2.gz XBTPQBLKGFOWLR-DLBZAZTESA-N 2 0 345.487 2.460 10 0 EEAERP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923495922 789653929 /nfs/dbraw/zinc/65/39/29/789653929.db2.gz GEMRASWBQFXBEP-LPHOPBHVSA-N 2 0 347.503 2.145 10 0 EEAERP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923497941 789673718 /nfs/dbraw/zinc/67/37/18/789673718.db2.gz GQDSZUWOHBEKNF-DOMZBBRYSA-N 2 0 344.484 2.326 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923502043 789687641 /nfs/dbraw/zinc/68/76/41/789687641.db2.gz WMKJJLIMNOXOAT-SUMDDJOVSA-N 2 0 329.488 2.439 10 0 EEAERP Cn1nc2c(c1C[NH2+]Cc1ccccc1OCC[NH+](C)C)CCC2 ZINC000921622434 790090010 /nfs/dbraw/zinc/09/00/10/790090010.db2.gz DLWFHKPKQZARSR-UHFFFAOYSA-N 2 0 328.460 2.139 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000914016898 794742365 /nfs/dbraw/zinc/74/23/65/794742365.db2.gz KECBHROEGKCZMO-VQIMIIECSA-N 2 0 344.503 2.085 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000922063401 798798053 /nfs/dbraw/zinc/79/80/53/798798053.db2.gz IHSCLJWIASMVKI-MNEFBYGVSA-N 2 0 344.503 2.289 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001566123310 1125570274 /nfs/dbraw/zinc/57/02/74/1125570274.db2.gz JLBZMEMKBHQWRK-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001566484783 1125647004 /nfs/dbraw/zinc/64/70/04/1125647004.db2.gz WLIUXONTSVHWNG-ZFWWWQNUSA-N 2 0 331.451 2.200 10 0 EEAERP O=C(NCCC[N@H+](Cc1ccns1)C1CC1)C12CCC[NH+]1CCC2 ZINC001566592758 1125783630 /nfs/dbraw/zinc/78/36/30/1125783630.db2.gz VLLHXUQMFUOGPW-UHFFFAOYSA-N 2 0 348.516 2.242 10 0 EEAERP Cc1ncccc1C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001436686029 1088138178 /nfs/dbraw/zinc/13/81/78/1088138178.db2.gz AUUNUCNVOQVZGJ-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CC2CCC3(CC3)CC2)C2CC2)C1 ZINC001436824373 1088425540 /nfs/dbraw/zinc/42/55/40/1088425540.db2.gz CSWDDVDVABTMCG-ROUUACIJSA-N 2 0 333.520 2.393 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001436843163 1088479825 /nfs/dbraw/zinc/47/98/25/1088479825.db2.gz PWKXPEIWEYXCRN-DLBZAZTESA-N 2 0 329.504 2.493 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)[NH+](C)C ZINC001436895587 1088548271 /nfs/dbraw/zinc/54/82/71/1088548271.db2.gz AZYFENOTGGLKQM-ZQDZILKHSA-N 2 0 331.451 2.389 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001436957536 1088645327 /nfs/dbraw/zinc/64/53/27/1088645327.db2.gz XVHFJHKIVDZLEG-KSZLIROESA-N 2 0 345.487 2.306 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437014227 1088795054 /nfs/dbraw/zinc/79/50/54/1088795054.db2.gz SQIICORYIKKQFY-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001437055760 1088952161 /nfs/dbraw/zinc/95/21/61/1088952161.db2.gz FUOBVZIGHKTUHM-HNNXBMFYSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1ccccc1Cl ZINC001437127346 1089112363 /nfs/dbraw/zinc/11/23/63/1089112363.db2.gz FRNZKQYKRARSFN-IIAWOOMASA-N 2 0 337.895 2.317 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)c1Cl ZINC001437262512 1089408513 /nfs/dbraw/zinc/40/85/13/1089408513.db2.gz PJMUKEZIELLDOM-ZDUSSCGKSA-N 2 0 341.883 2.283 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437262813 1089408553 /nfs/dbraw/zinc/40/85/53/1089408553.db2.gz GMDWTYLJDKLBHW-AEFFLSMTSA-N 2 0 332.492 2.105 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC001437379266 1089625887 /nfs/dbraw/zinc/62/58/87/1089625887.db2.gz GQHODYWZBQSVQZ-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001437717131 1090265691 /nfs/dbraw/zinc/26/56/91/1090265691.db2.gz BRKKNRGTSBEIPA-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001437913257 1090495653 /nfs/dbraw/zinc/49/56/53/1090495653.db2.gz XXGRZMGBMBGFIX-HZPDHXFCSA-N 2 0 343.462 2.296 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001437936830 1090530052 /nfs/dbraw/zinc/53/00/52/1090530052.db2.gz FOBKGCDUFRWWMZ-IRXDYDNUSA-N 2 0 349.544 2.461 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCF)C1 ZINC001437939199 1090532206 /nfs/dbraw/zinc/53/22/06/1090532206.db2.gz SXGOINHYMLVBLF-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001437944399 1090539516 /nfs/dbraw/zinc/53/95/16/1090539516.db2.gz HMHCHXGTUOLFLL-JKSUJKDBSA-N 2 0 335.517 2.071 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001438005555 1090605219 /nfs/dbraw/zinc/60/52/19/1090605219.db2.gz XLETVIZIWZNGKD-QGZVFWFLSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001438374126 1090853391 /nfs/dbraw/zinc/85/33/91/1090853391.db2.gz IULPLHBOSZIUQL-QZTJIDSGSA-N 2 0 347.503 2.330 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1F ZINC001438374332 1090853933 /nfs/dbraw/zinc/85/39/33/1090853933.db2.gz JHZJIDBITHWHML-BBRMVZONSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)C[NH+]2CCCC2)C2CC2)c(C)n1 ZINC001438429222 1090928109 /nfs/dbraw/zinc/92/81/09/1090928109.db2.gz QKHJCIGHBATBKO-HXUWFJFHSA-N 2 0 344.503 2.169 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1cncs1)NC(=O)CC[NH+](C)C ZINC001438433987 1090935437 /nfs/dbraw/zinc/93/54/37/1090935437.db2.gz WKTGCMOWIXLPBS-PBHICJAKSA-N 2 0 338.521 2.250 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001438818360 1091435479 /nfs/dbraw/zinc/43/54/79/1091435479.db2.gz STODZAOCKLMVRF-WMLDXEAASA-N 2 0 347.438 2.359 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)C[NH+]1CCCC1 ZINC001445647303 1091437104 /nfs/dbraw/zinc/43/71/04/1091437104.db2.gz JJRBIRQTCNBXTJ-ZDUSSCGKSA-N 2 0 343.393 2.396 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001438943783 1091630911 /nfs/dbraw/zinc/63/09/11/1091630911.db2.gz BIMZUGSTKNPNKO-FUHWJXTLSA-N 2 0 333.451 2.200 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1cnc(C)cn1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439075175 1091722185 /nfs/dbraw/zinc/72/21/85/1091722185.db2.gz BSHTZPUJTZMBKT-BBWFWOEESA-N 2 0 347.507 2.014 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC001439181644 1091829904 /nfs/dbraw/zinc/82/99/04/1091829904.db2.gz GVBLJIXHQNJULB-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cnc(C)o2)C2CC2)C1 ZINC001445968465 1091923058 /nfs/dbraw/zinc/92/30/58/1091923058.db2.gz MWAKAGBBVOOSNF-SJLPKXTDSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001439329445 1092014928 /nfs/dbraw/zinc/01/49/28/1092014928.db2.gz ARVLAUZZVNCLOL-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](C[N@H+](C)CC[C@@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439355755 1092069639 /nfs/dbraw/zinc/06/96/39/1092069639.db2.gz QVCGMGFNQWROHI-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001439403248 1092159309 /nfs/dbraw/zinc/15/93/09/1092159309.db2.gz HHVWFFAGPMXVLQ-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP O=C(NCC1([NH2+]Cc2cc(F)ccc2F)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001446168098 1092222874 /nfs/dbraw/zinc/22/28/74/1092222874.db2.gz OJTGDAAYBCRYDD-MRXNPFEDSA-N 2 0 349.425 2.045 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1C ZINC001446268204 1092414497 /nfs/dbraw/zinc/41/44/97/1092414497.db2.gz QRVFZYZBSWWQLX-MRXNPFEDSA-N 2 0 345.487 2.084 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001446274197 1092424953 /nfs/dbraw/zinc/42/49/53/1092424953.db2.gz IJSHWHPFQYPHMP-UHFFFAOYSA-N 2 0 337.414 2.458 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439562443 1092439499 /nfs/dbraw/zinc/43/94/99/1092439499.db2.gz RKIUEGMBSWRCLH-CVEARBPZSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH]cn2)CC1)c1ccc(F)c(F)c1 ZINC001439648415 1092572792 /nfs/dbraw/zinc/57/27/92/1092572792.db2.gz OFKGYEQODMDZMQ-NSHDSACASA-N 2 0 334.370 2.230 10 0 EEAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001439851465 1092868724 /nfs/dbraw/zinc/86/87/24/1092868724.db2.gz NLHZJFZWKNZYHT-PKOBYXMFSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1conc1C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001439912727 1092985366 /nfs/dbraw/zinc/98/53/66/1092985366.db2.gz XEFIIZCWHNEBIJ-IBGZPJMESA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001439943955 1093049517 /nfs/dbraw/zinc/04/95/17/1093049517.db2.gz NULMATXBDVAZRO-FUHWJXTLSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@@H](C)COC)CC2)[NH+](CC)CC ZINC001440229537 1093312132 /nfs/dbraw/zinc/31/21/32/1093312132.db2.gz GSVFZEGWSIUTRD-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001440246726 1093337510 /nfs/dbraw/zinc/33/75/10/1093337510.db2.gz DHQPAASRPKXIBV-CVEARBPZSA-N 2 0 343.462 2.440 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCc1ccccc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001440267409 1093378203 /nfs/dbraw/zinc/37/82/03/1093378203.db2.gz TYMHHXTUNPSNJN-RBUKOAKNSA-N 2 0 329.488 2.104 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccccc1N(C)C ZINC001440276945 1093393734 /nfs/dbraw/zinc/39/37/34/1093393734.db2.gz QWRCSUQENWTFEG-GOSISDBHSA-N 2 0 346.519 2.126 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccsc2)CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001440307014 1093434293 /nfs/dbraw/zinc/43/42/93/1093434293.db2.gz XLXJWMNPBNMXBB-INIZCTEOSA-N 2 0 333.501 2.218 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001440313107 1093444841 /nfs/dbraw/zinc/44/48/41/1093444841.db2.gz NUIXOVZJQZKNSM-SJHQDXEFSA-N 2 0 339.483 2.280 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]C/C(Cl)=C/Cl)C2CC2)C1 ZINC001448598745 1093660483 /nfs/dbraw/zinc/66/04/83/1093660483.db2.gz WXOLZBOEEBCHEY-GZWCCODISA-N 2 0 348.318 2.474 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)nc1C)[NH+](C)C ZINC001440464849 1093687064 /nfs/dbraw/zinc/68/70/64/1093687064.db2.gz REMQPZOQDPUGPM-SFHVURJKSA-N 2 0 334.508 2.319 10 0 EEAERP Cc1ccc(C[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(C)n1 ZINC001440465520 1093688136 /nfs/dbraw/zinc/68/81/36/1093688136.db2.gz XBFMLCSMEYCXAQ-INIZCTEOSA-N 2 0 346.519 2.321 10 0 EEAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1ccccc1 ZINC001448685201 1093749415 /nfs/dbraw/zinc/74/94/15/1093749415.db2.gz ROROIQIDQIZNCU-QGZVFWFLSA-N 2 0 329.488 2.499 10 0 EEAERP CCCOc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001448777720 1093856978 /nfs/dbraw/zinc/85/69/78/1093856978.db2.gz DIXLVCDUDXHXDZ-WMZOPIPTSA-N 2 0 347.503 2.364 10 0 EEAERP CCc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001448788835 1093868536 /nfs/dbraw/zinc/86/85/36/1093868536.db2.gz QPFMIGRASGOWAO-QGZVFWFLSA-N 2 0 331.504 2.324 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2c(F)cccc2F)C1 ZINC001440761243 1094003342 /nfs/dbraw/zinc/00/33/42/1094003342.db2.gz ARZXFOXPFDMBRX-UHFFFAOYSA-N 2 0 339.430 2.289 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001449324523 1094276604 /nfs/dbraw/zinc/27/66/04/1094276604.db2.gz RSPPBVLFEZNSHC-KRWDZBQOSA-N 2 0 335.492 2.267 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001441457381 1095108983 /nfs/dbraw/zinc/10/89/83/1095108983.db2.gz CMFNKWBOYVYHMA-SFHVURJKSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)sn1 ZINC001441506450 1095193088 /nfs/dbraw/zinc/19/30/88/1095193088.db2.gz HJKAJLQTFKTFKC-OKILXGFUSA-N 2 0 338.521 2.166 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001441533928 1095247117 /nfs/dbraw/zinc/24/71/17/1095247117.db2.gz ZTILPCTWTDPIBQ-IYBDPMFKSA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+]1CCCCC1 ZINC001441551518 1095282082 /nfs/dbraw/zinc/28/20/82/1095282082.db2.gz UIGQFKNBFFCUTI-WCXIOVBPSA-N 2 0 327.488 2.482 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001441625116 1095501986 /nfs/dbraw/zinc/50/19/86/1095501986.db2.gz UOSVANVBGASKIP-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CC2CCC(F)(F)CC2)CCN1C(=O)CC[NH+](C)C ZINC001441826322 1095876566 /nfs/dbraw/zinc/87/65/66/1095876566.db2.gz PMVYDAUDVYZJQJ-UKRRQHHQSA-N 2 0 331.451 2.343 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001441844044 1095921806 /nfs/dbraw/zinc/92/18/06/1095921806.db2.gz QFYPQELOIDMUMJ-CABCVRRESA-N 2 0 333.476 2.335 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001441844046 1095922160 /nfs/dbraw/zinc/92/21/60/1095922160.db2.gz QFYPQELOIDMUMJ-GJZGRUSLSA-N 2 0 333.476 2.335 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cncs2)CC3)CC1 ZINC001441876229 1095997423 /nfs/dbraw/zinc/99/74/23/1095997423.db2.gz PUFLROKUUWYRQO-MAUKXSAKSA-N 2 0 348.516 2.098 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001441927107 1096111314 /nfs/dbraw/zinc/11/13/14/1096111314.db2.gz NNBFJGYEYCSBSU-OCESRQBRSA-N 2 0 327.900 2.438 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001441980527 1096184189 /nfs/dbraw/zinc/18/41/89/1096184189.db2.gz LNPWUYJJSDDKTL-DLBZAZTESA-N 2 0 347.503 2.261 10 0 EEAERP C[C@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001442203097 1096487175 /nfs/dbraw/zinc/48/71/75/1096487175.db2.gz VGQJFYHKYQLNKO-HOTGVXAUSA-N 2 0 325.472 2.286 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001442208910 1096495359 /nfs/dbraw/zinc/49/53/59/1096495359.db2.gz DSKATJDQLZJHOL-CQSZACIVSA-N 2 0 348.491 2.220 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001442222199 1096518178 /nfs/dbraw/zinc/51/81/78/1096518178.db2.gz UJYVJRKPBWWHJZ-KBPBESRZSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)on1 ZINC001442223478 1096520067 /nfs/dbraw/zinc/52/00/67/1096520067.db2.gz VPBSEZPHZCYQFF-HOCLYGCPSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCc1cccs1)[NH+]1CCCC1 ZINC001442622353 1096991683 /nfs/dbraw/zinc/99/16/83/1096991683.db2.gz TVPDDUMNEPUDSW-KRWDZBQOSA-N 2 0 337.533 2.459 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccnc1C ZINC001442725863 1097099516 /nfs/dbraw/zinc/09/95/16/1097099516.db2.gz GTIKJZSKXNSNBY-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001442950518 1097365796 /nfs/dbraw/zinc/36/57/96/1097365796.db2.gz KGLOOLKDENELDJ-KURKYZTESA-N 2 0 333.520 2.347 10 0 EEAERP C[N@H+](CC(=O)NCC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)CC(C)(C)C ZINC001443609592 1098104902 /nfs/dbraw/zinc/10/49/02/1098104902.db2.gz ANBUPSPJFWDEEW-NXHRZFHOSA-N 2 0 335.536 2.449 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccnc1C ZINC001443968923 1098487677 /nfs/dbraw/zinc/48/76/77/1098487677.db2.gz KSTWFLIGQDPTJH-ZVZYQTTQSA-N 2 0 332.492 2.105 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cnc(C)s1 ZINC001443979220 1098495830 /nfs/dbraw/zinc/49/58/30/1098495830.db2.gz XNGYZRLHNUKOMD-QEJZJMRPSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ocnc1C ZINC001444002915 1098518044 /nfs/dbraw/zinc/51/80/44/1098518044.db2.gz JVBWMPKDKITZKL-HZPDHXFCSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001444024259 1098541783 /nfs/dbraw/zinc/54/17/83/1098541783.db2.gz VHHHIEVSROGDPQ-SJLPKXTDSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001479494021 1098564914 /nfs/dbraw/zinc/56/49/14/1098564914.db2.gz FNHWPVYJIJTOAP-OWCLPIDISA-N 2 0 336.480 2.259 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(OC(C)C)c1 ZINC001444050093 1098575156 /nfs/dbraw/zinc/57/51/56/1098575156.db2.gz ZHHOVVGUIZBDLG-ROUUACIJSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001444147103 1098686705 /nfs/dbraw/zinc/68/67/05/1098686705.db2.gz KDVAKMDNBMXGMH-GUYCJALGSA-N 2 0 343.462 2.248 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCOCC2CC2)C1)[NH+](C)C ZINC001479688062 1098748434 /nfs/dbraw/zinc/74/84/34/1098748434.db2.gz ONNHZCBPXFRZSC-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479748126 1098888826 /nfs/dbraw/zinc/88/88/26/1098888826.db2.gz OBBXESUATXEKTL-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOC(C)C)CC(C)(C)C1 ZINC001479748496 1098889075 /nfs/dbraw/zinc/88/90/75/1098889075.db2.gz WVHRQRMNJXABHP-QGZVFWFLSA-N 2 0 341.540 2.360 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1nc2ccccc2o1)[NH+](C)C ZINC001479808207 1099056098 /nfs/dbraw/zinc/05/60/98/1099056098.db2.gz TYKBLBNFOFFJRC-OAHLLOKOSA-N 2 0 332.448 2.106 10 0 EEAERP Cc1ccc(CCC[N@H+](C)CCCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001479809109 1099060969 /nfs/dbraw/zinc/06/09/69/1099060969.db2.gz RUVQZCFRZVPWGI-UHFFFAOYSA-N 2 0 343.515 2.462 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001479833299 1099116030 /nfs/dbraw/zinc/11/60/30/1099116030.db2.gz ZPBVJAQQNBYQRS-CZUORRHYSA-N 2 0 338.521 2.262 10 0 EEAERP O=C(NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001480019854 1099498629 /nfs/dbraw/zinc/49/86/29/1099498629.db2.gz BGPBIXVDQAVXBP-MOPGFXCFSA-N 2 0 345.531 2.393 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001480062910 1099590733 /nfs/dbraw/zinc/59/07/33/1099590733.db2.gz XYRRCNBKJJORAY-IEBWSBKVSA-N 2 0 347.478 2.194 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]Cc1cccc(Cl)n1)C1CC1 ZINC001480064549 1099594312 /nfs/dbraw/zinc/59/43/12/1099594312.db2.gz BPIOYFVMELEYRK-HNNXBMFYSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001444829998 1099776352 /nfs/dbraw/zinc/77/63/52/1099776352.db2.gz SSTSPKWYQHUGTJ-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccnc2)C(C)C)C1 ZINC001444890415 1099929023 /nfs/dbraw/zinc/92/90/23/1099929023.db2.gz JFFLEPFKGLFBCX-MOPGFXCFSA-N 2 0 346.519 2.434 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383563 1100177392 /nfs/dbraw/zinc/17/73/92/1100177392.db2.gz QAVUIFIQUUXALL-DLBZAZTESA-N 2 0 332.492 2.058 10 0 EEAERP CN(CC[N@H+](C)C/C=C/c1ccccc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445060370 1100249853 /nfs/dbraw/zinc/24/98/53/1100249853.db2.gz AOEGDHCQERJXET-VQFGERMISA-N 2 0 329.488 2.432 10 0 EEAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001480480264 1100289365 /nfs/dbraw/zinc/28/93/65/1100289365.db2.gz QJDIOCMACWIEDA-DZGCQCFKSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001480523430 1100353878 /nfs/dbraw/zinc/35/38/78/1100353878.db2.gz YDSWGCLFPNNDID-SJORKVTESA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001480571988 1100415305 /nfs/dbraw/zinc/41/53/05/1100415305.db2.gz QFAMPKWKQHYAKE-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001496246694 1100815836 /nfs/dbraw/zinc/81/58/36/1100815836.db2.gz APFKQVWIVQGXLD-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCCC1 ZINC001496319049 1100912550 /nfs/dbraw/zinc/91/25/50/1100912550.db2.gz XKENXHUWBLEKDH-JHCSKLMMSA-N 2 0 327.900 2.488 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ocnc2C)[C@@H](C)C1 ZINC001496367207 1100959328 /nfs/dbraw/zinc/95/93/28/1100959328.db2.gz HQXMBWPWKJQRCI-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)no1 ZINC001496412959 1101005308 /nfs/dbraw/zinc/00/53/08/1101005308.db2.gz DLOJQTKGJOBNMC-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001496412738 1101005373 /nfs/dbraw/zinc/00/53/73/1101005373.db2.gz WMFTZFGUUZOCDK-CVEARBPZSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001496414602 1101007964 /nfs/dbraw/zinc/00/79/64/1101007964.db2.gz OKRYDBIJVQYVME-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496415373 1101009055 /nfs/dbraw/zinc/00/90/55/1101009055.db2.gz TWMQKECAVQPQEQ-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)co1 ZINC001496416698 1101009564 /nfs/dbraw/zinc/00/95/64/1101009564.db2.gz WRZGXEAIABOMEA-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001496465069 1101056512 /nfs/dbraw/zinc/05/65/12/1101056512.db2.gz WWMXOSPFPBDZIZ-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001496478833 1101069785 /nfs/dbraw/zinc/06/97/85/1101069785.db2.gz FUHQJCFUUVCHMM-APWZRJJASA-N 2 0 347.503 2.364 10 0 EEAERP O=C(N1CCC(CC[NH2+]CC2CC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001495418350 1101138434 /nfs/dbraw/zinc/13/84/34/1101138434.db2.gz LLNYGOZZGGOQQQ-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP CC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC[NH+](C/C=C\Cl)CC1 ZINC001446630545 1101139537 /nfs/dbraw/zinc/13/95/37/1101139537.db2.gz UQWSINHJPDUZNY-AKDFZNLCSA-N 2 0 339.911 2.299 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)C1 ZINC001495430637 1101149302 /nfs/dbraw/zinc/14/93/02/1101149302.db2.gz UXCAJUBUKGQNBT-KRWDZBQOSA-N 2 0 344.503 2.142 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cnccc1C)C(C)C ZINC001496642372 1101246845 /nfs/dbraw/zinc/24/68/45/1101246845.db2.gz OGTLXNOYEMNZNA-RBUKOAKNSA-N 2 0 346.519 2.495 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001495784467 1101593808 /nfs/dbraw/zinc/59/38/08/1101593808.db2.gz GKKXUJYWIAZKBA-QGZVFWFLSA-N 2 0 343.515 2.229 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001496861185 1101625118 /nfs/dbraw/zinc/62/51/18/1101625118.db2.gz FSVPRKUHMMXZPS-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001446980209 1101694742 /nfs/dbraw/zinc/69/47/42/1101694742.db2.gz JTIADCKWHRVHLC-SCTDSRPQSA-N 2 0 327.472 2.016 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001447076976 1101937595 /nfs/dbraw/zinc/93/75/95/1101937595.db2.gz JEFQLOHDTRPCKF-IAGOWNOFSA-N 2 0 347.507 2.016 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103925 1102069022 /nfs/dbraw/zinc/06/90/22/1102069022.db2.gz PGSDNUXIKCCRIV-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP O=C(NCC1([NH2+]C[C@H]2CCCCO2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001447211525 1102213332 /nfs/dbraw/zinc/21/33/32/1102213332.db2.gz DIFBVIFJSYAVKW-QGZVFWFLSA-N 2 0 349.519 2.060 10 0 EEAERP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c1cc(F)ccc1F ZINC001497262628 1102216010 /nfs/dbraw/zinc/21/60/10/1102216010.db2.gz IXZSIQPHCWAIIH-QWHCGFSZSA-N 2 0 327.419 2.462 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)o1 ZINC001497329569 1102333526 /nfs/dbraw/zinc/33/35/26/1102333526.db2.gz CLQLTZNUONTXGG-ZBFHGGJFSA-N 2 0 336.480 2.096 10 0 EEAERP CCN(CC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497440219 1102491292 /nfs/dbraw/zinc/49/12/92/1102491292.db2.gz ZSBSIRFKTUSQQO-KRWDZBQOSA-N 2 0 349.523 2.061 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001497501108 1102590432 /nfs/dbraw/zinc/59/04/32/1102590432.db2.gz OALREQUFFBZRGJ-HUUCEWRRSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@H](F)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001447426211 1102633523 /nfs/dbraw/zinc/63/35/23/1102633523.db2.gz DBSPYNNDZFZRQQ-QFBILLFUSA-N 2 0 347.478 2.373 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497585891 1102703982 /nfs/dbraw/zinc/70/39/82/1102703982.db2.gz NUAQBFMHHIXKNL-ZUZVGCLLSA-N 2 0 329.488 2.351 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1C ZINC001497731051 1102980657 /nfs/dbraw/zinc/98/06/57/1102980657.db2.gz MBKHITWMRHGFDR-BDUNBXCCSA-N 2 0 345.487 2.107 10 0 EEAERP Cc1ncccc1C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001493877063 1103015313 /nfs/dbraw/zinc/01/53/13/1103015313.db2.gz KYBBMXPUVFZTBM-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497816820 1103144717 /nfs/dbraw/zinc/14/47/17/1103144717.db2.gz DGVMMNCWWMAZGW-DNVCBOLYSA-N 2 0 329.488 2.185 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001497818258 1103147457 /nfs/dbraw/zinc/14/74/57/1103147457.db2.gz ROXCYWBPYZNGOG-FHLIZLRMSA-N 2 0 333.476 2.020 10 0 EEAERP CCc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001447931686 1103628933 /nfs/dbraw/zinc/62/89/33/1103628933.db2.gz OGZPDUCWFXHYKM-HZPDHXFCSA-N 2 0 329.488 2.328 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001447937261 1103643010 /nfs/dbraw/zinc/64/30/10/1103643010.db2.gz NAMNRPGLTOTFNM-STQMWFEESA-N 2 0 325.403 2.043 10 0 EEAERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1nc(C)oc1C)[NH+](C)C ZINC001447965913 1103697721 /nfs/dbraw/zinc/69/77/21/1103697721.db2.gz DHMUDVCSLWPWGL-INIZCTEOSA-N 2 0 338.496 2.206 10 0 EEAERP C[C@H](F)CC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001494207643 1103698412 /nfs/dbraw/zinc/69/84/12/1103698412.db2.gz YYVFOFWVHKHWTR-HNNXBMFYSA-N 2 0 327.488 2.247 10 0 EEAERP COCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001494667430 1104253576 /nfs/dbraw/zinc/25/35/76/1104253576.db2.gz PPFAPSAALGSRAE-GBESFXJTSA-N 2 0 349.519 2.105 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCc2ccccc21 ZINC001494668420 1104254966 /nfs/dbraw/zinc/25/49/66/1104254966.db2.gz PLVGBZWZCKGFQF-LNLFQRSKSA-N 2 0 327.472 2.301 10 0 EEAERP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCCCOC)C1 ZINC001494912217 1104549206 /nfs/dbraw/zinc/54/92/06/1104549206.db2.gz ZZUFJDUORWEDHE-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccncc1Cl ZINC001497992330 1106748633 /nfs/dbraw/zinc/74/86/33/1106748633.db2.gz DYBXGSFPPUZIRJ-CJNGLKHVSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccncc1Cl ZINC001498042725 1106825691 /nfs/dbraw/zinc/82/56/91/1106825691.db2.gz VWGADHVXCYVLHK-XJKSGUPXSA-N 2 0 338.883 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001498045205 1106830873 /nfs/dbraw/zinc/83/08/73/1106830873.db2.gz KFMNGDZRWUFOBJ-AEGPPILISA-N 2 0 338.883 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001498048641 1106837493 /nfs/dbraw/zinc/83/74/93/1106837493.db2.gz NUWOQIIGZCVJKQ-KXBFYZLASA-N 2 0 345.487 2.186 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001454257741 1106979146 /nfs/dbraw/zinc/97/91/46/1106979146.db2.gz ADXCQDMWBMYLEA-RVKKMQEKSA-N 2 0 333.451 2.041 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480828210 1107211673 /nfs/dbraw/zinc/21/16/73/1107211673.db2.gz LZFFPYRNHHPKAL-IRXDYDNUSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CCC[NH2+]C/C(Cl)=C/Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001498570327 1107737643 /nfs/dbraw/zinc/73/76/43/1107737643.db2.gz UXJBXWMWDYRRCB-QBFSEMIESA-N 2 0 334.291 2.372 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1F ZINC001498641715 1107873350 /nfs/dbraw/zinc/87/33/50/1107873350.db2.gz NIOPAZZZQFIEDD-QGZVFWFLSA-N 2 0 335.467 2.414 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1OC1CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001493575242 1108343943 /nfs/dbraw/zinc/34/39/43/1108343943.db2.gz VXPZJJRRTUWQJC-UHFFFAOYSA-N 2 0 345.487 2.260 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493583783 1108357538 /nfs/dbraw/zinc/35/75/38/1108357538.db2.gz JCYGQCDVHDFKTM-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CCCC[N@H+](C)CCn1c(CC)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001460492691 1110295047 /nfs/dbraw/zinc/29/50/47/1110295047.db2.gz GSNAJHBLELICDB-IRXDYDNUSA-N 2 0 348.539 2.245 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001466254442 1110432289 /nfs/dbraw/zinc/43/22/89/1110432289.db2.gz UEFIPPNEJUMDBA-NVXWUHKLSA-N 2 0 348.466 2.157 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2ccccc2C1 ZINC001471485517 1110523209 /nfs/dbraw/zinc/52/32/09/1110523209.db2.gz MZNMCZCYQLGKAZ-IBGZPJMESA-N 2 0 346.519 2.069 10 0 EEAERP OCC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1CO ZINC001473893224 1110584672 /nfs/dbraw/zinc/58/46/72/1110584672.db2.gz OJWKWULAKOINLL-UXHICEINSA-N 2 0 332.488 2.095 10 0 EEAERP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)CC1 ZINC001479319685 1110680541 /nfs/dbraw/zinc/68/05/41/1110680541.db2.gz QBXFWETXVCNLTC-PUZFROQSSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001479321842 1110681062 /nfs/dbraw/zinc/68/10/62/1110681062.db2.gz OLHDAISPUDQPGH-VBQJREDUSA-N 2 0 331.451 2.043 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC001499372573 1112257145 /nfs/dbraw/zinc/25/71/45/1112257145.db2.gz ZDPFVUWLHHZPHT-FGTMMUONSA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499615614 1112412853 /nfs/dbraw/zinc/41/28/53/1112412853.db2.gz FLTNTZGYSPUTIC-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001500123160 1112627745 /nfs/dbraw/zinc/62/77/45/1112627745.db2.gz RVIKSZPZHLDJMG-QAPCUYQASA-N 2 0 348.491 2.089 10 0 EEAERP COCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500162812 1112648493 /nfs/dbraw/zinc/64/84/93/1112648493.db2.gz RUBKDVNHFFCCKY-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C2)s1 ZINC001500520031 1112912046 /nfs/dbraw/zinc/91/20/46/1112912046.db2.gz XLCHBCDXHQAKBE-KRWDZBQOSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520089 1112913311 /nfs/dbraw/zinc/91/33/11/1112913311.db2.gz YNAQCUJMJYZWJW-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCOCC1 ZINC001500594312 1112962998 /nfs/dbraw/zinc/96/29/98/1112962998.db2.gz LCZIRXTWUFUXHW-UHFFFAOYSA-N 2 0 347.503 2.092 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCC2)C1 ZINC001501170412 1113226624 /nfs/dbraw/zinc/22/66/24/1113226624.db2.gz UPHAAZKJRWTRPW-KANFNMMFSA-N 2 0 333.520 2.488 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](F)CC ZINC001501171636 1113227111 /nfs/dbraw/zinc/22/71/11/1113227111.db2.gz FRRGFSPFWYNDJH-NXOAAHMSSA-N 2 0 327.488 2.436 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001501392410 1113339130 /nfs/dbraw/zinc/33/91/30/1113339130.db2.gz YCDUXQDJCRCRSB-BBWFWOEESA-N 2 0 325.472 2.142 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001501544238 1113377120 /nfs/dbraw/zinc/37/71/20/1113377120.db2.gz HVOBLUWUGNZBOW-MJGOQNOKSA-N 2 0 329.488 2.417 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCc2ccccc2)CCC1 ZINC001501927900 1113526357 /nfs/dbraw/zinc/52/63/57/1113526357.db2.gz GHCBZFFWPJHLQD-GOSISDBHSA-N 2 0 329.488 2.342 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001502442923 1113686176 /nfs/dbraw/zinc/68/61/76/1113686176.db2.gz HTMMQFALJKKWNM-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCc2ccccc2)CC[N@@H+]1C ZINC001505431608 1113965559 /nfs/dbraw/zinc/96/55/59/1113965559.db2.gz YZEQWYSLOMYAMI-MISYRCLQSA-N 2 0 343.515 2.492 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001505760728 1114174816 /nfs/dbraw/zinc/17/48/16/1114174816.db2.gz OJZKNAMIPOEUQS-HZPDHXFCSA-N 2 0 347.503 2.082 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccccn2)C1 ZINC001505986014 1114321102 /nfs/dbraw/zinc/32/11/02/1114321102.db2.gz NMTLQHXKWOVAOL-IAGOWNOFSA-N 2 0 332.492 2.140 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]Cc2ccns2)CCCCC1 ZINC001506519048 1114668443 /nfs/dbraw/zinc/66/84/43/1114668443.db2.gz UQQGASAFXOTSOX-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3nocc3C)C[C@@H]2C1 ZINC001506856773 1114922033 /nfs/dbraw/zinc/92/20/33/1114922033.db2.gz MGPPGTXZGCDQPP-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](CCC[NH2+]Cc1noc2c1CCCC2)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506914088 1114968537 /nfs/dbraw/zinc/96/85/37/1114968537.db2.gz MPVKLDZHXCYWLV-RHSMWYFYSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001507088189 1115101960 /nfs/dbraw/zinc/10/19/60/1115101960.db2.gz ZXSWRGFIVIOOKQ-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507155046 1115137607 /nfs/dbraw/zinc/13/76/07/1115137607.db2.gz PYJMXRPKYKJJPK-QFBILLFUSA-N 2 0 331.504 2.180 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)CN1C(=O)CCC[NH+](C)C ZINC001507322977 1115191963 /nfs/dbraw/zinc/19/19/63/1115191963.db2.gz VGOVSESYPFZADZ-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001507455102 1115279657 /nfs/dbraw/zinc/27/96/57/1115279657.db2.gz AYWKTAUPICENMJ-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP C[N@H+](CC(=O)N[C@H](C[NH2+]C[C@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023739 1115390417 /nfs/dbraw/zinc/39/04/17/1115390417.db2.gz PSBRLTGVWDARLT-HZPDHXFCSA-N 2 0 341.540 2.121 10 0 EEAERP Cc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001508065808 1115408897 /nfs/dbraw/zinc/40/88/97/1115408897.db2.gz BLAYQLUBXBQKTH-GDBMZVCRSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCc2cccs2)CC1 ZINC001508065055 1115408962 /nfs/dbraw/zinc/40/89/62/1115408962.db2.gz PGSBSZGSDPHOCD-OAHLLOKOSA-N 2 0 337.533 2.459 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001567914380 1124176010 /nfs/dbraw/zinc/17/60/10/1124176010.db2.gz SRMAJBWUBDJNLO-KRWDZBQOSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CCC2=CCCCC2)CCO1 ZINC001568224122 1124369152 /nfs/dbraw/zinc/36/91/52/1124369152.db2.gz XLXWAWXCVGNMLT-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CCCCCCN1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001568227858 1124373531 /nfs/dbraw/zinc/37/35/31/1124373531.db2.gz JDWDHQSULAUARV-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568397201 1124467804 /nfs/dbraw/zinc/46/78/04/1124467804.db2.gz VDZXLHNHAIBHTH-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001568470183 1124529411 /nfs/dbraw/zinc/52/94/11/1124529411.db2.gz JFZOLZQDNADVIS-HKUYNNGSSA-N 2 0 347.503 2.056 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001568673889 1124685881 /nfs/dbraw/zinc/68/58/81/1124685881.db2.gz BTRULSLAYSBSLS-XJKSGUPXSA-N 2 0 340.899 2.306 10 0 EEAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568678492 1124690334 /nfs/dbraw/zinc/69/03/34/1124690334.db2.gz SFVHNVHVBWPFKC-KBXCAEBGSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H](CC[NH2+]CC[C@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568691982 1124704725 /nfs/dbraw/zinc/70/47/25/1124704725.db2.gz ADBCOBAJWUTONZ-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568851817 1124872082 /nfs/dbraw/zinc/87/20/82/1124872082.db2.gz MCBOFGKXMVOVRG-OSFIAYCASA-N 2 0 329.488 2.406 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001568920462 1124949538 /nfs/dbraw/zinc/94/95/38/1124949538.db2.gz VYUVUSMFCGIEKU-BWPKMQGJSA-N 2 0 333.451 2.238 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001569237713 1125185977 /nfs/dbraw/zinc/18/59/77/1125185977.db2.gz RTZYXORBCNVWAY-GOSISDBHSA-N 2 0 334.508 2.223 10 0 EEAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415950468 529948640 /nfs/dbraw/zinc/94/86/40/529948640.db2.gz DLRGLSOHQWKIKC-CYBMUJFWSA-N 2 0 334.439 2.277 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066187340 215021243 /nfs/dbraw/zinc/02/12/43/215021243.db2.gz XFYMRNKFUGIAQZ-RBUKOAKNSA-N 2 0 344.503 2.039 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000102640116 219217518 /nfs/dbraw/zinc/21/75/18/219217518.db2.gz RUNUYNOTQDYODB-UHFFFAOYSA-N 2 0 333.476 2.089 10 0 EEAERP C[C@H](CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000422818107 240244187 /nfs/dbraw/zinc/24/41/87/240244187.db2.gz FPYKXZNIHOMCRW-AHRSYUTCSA-N 2 0 331.504 2.254 10 0 EEAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422788284 240225857 /nfs/dbraw/zinc/22/58/57/240225857.db2.gz QZIZCZJDNJUKDX-UXHICEINSA-N 2 0 331.504 2.385 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)CC[NH2+]CC1 ZINC000422806327 240235220 /nfs/dbraw/zinc/23/52/20/240235220.db2.gz IACKMDBIVWGVOA-AWEZNQCLSA-N 2 0 344.459 2.282 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2cccnc2)C2CC2)CC[NH2+]CC1 ZINC000423009309 240326568 /nfs/dbraw/zinc/32/65/68/240326568.db2.gz COLDIQPXGWCORZ-PBHICJAKSA-N 2 0 331.460 2.444 10 0 EEAERP CC(C)OC(=O)CC[N@H+](C)CC(C)(C)CN(C)CC[NH+]1CCCC1 ZINC000095452042 218396276 /nfs/dbraw/zinc/39/62/76/218396276.db2.gz PUXKMVKEYVIOSY-UHFFFAOYSA-N 2 0 341.540 2.314 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000344673923 152817423 /nfs/dbraw/zinc/81/74/23/152817423.db2.gz NYFFBAWMWLSIEG-UHFFFAOYSA-N 2 0 342.487 2.256 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(CC[NH+](C)C)C2CC2)CC1 ZINC000377302380 154131714 /nfs/dbraw/zinc/13/17/14/154131714.db2.gz DVJJBLBLCBQBHB-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000245628618 160245453 /nfs/dbraw/zinc/24/54/53/160245453.db2.gz HERHPYHOMMNWQP-ZYSHUDEJSA-N 2 0 342.487 2.215 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000246256670 160270826 /nfs/dbraw/zinc/27/08/26/160270826.db2.gz QAYWQYRKCUDVAD-TZIWHRDSSA-N 2 0 344.547 2.124 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000343691715 161159212 /nfs/dbraw/zinc/15/92/12/161159212.db2.gz KNXOASAAQZSTEK-INIZCTEOSA-N 2 0 345.409 2.231 10 0 EEAERP c1ccc2c(c1)CCCN2CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000152567241 292492642 /nfs/dbraw/zinc/49/26/42/292492642.db2.gz RLHKECKULWIZNY-UHFFFAOYSA-N 2 0 343.515 2.483 10 0 EEAERP CSC1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC[NH+](C)CC1 ZINC000359265744 164098489 /nfs/dbraw/zinc/09/84/89/164098489.db2.gz UAKQIJCFDYOHSM-UHFFFAOYSA-N 2 0 341.565 2.442 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000359373265 164122856 /nfs/dbraw/zinc/12/28/56/164122856.db2.gz OJVXAEXYLCNZBM-AWEZNQCLSA-N 2 0 339.505 2.107 10 0 EEAERP C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154997158 292533317 /nfs/dbraw/zinc/53/33/17/292533317.db2.gz YPNMXEKBXZEGBU-MAUKXSAKSA-N 2 0 332.492 2.055 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000375840036 167210361 /nfs/dbraw/zinc/21/03/61/167210361.db2.gz OEQIJHXEEMPBME-NFAWXSAZSA-N 2 0 337.489 2.325 10 0 EEAERP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](CCC[NH3+])COC)ccc2NC1=O ZINC000422810578 287343447 /nfs/dbraw/zinc/34/34/47/287343447.db2.gz NSTRODJDGQFGDW-NOLJZWGESA-N 2 0 335.448 2.201 10 0 EEAERP CCOC1CC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000278447544 274355754 /nfs/dbraw/zinc/35/57/54/274355754.db2.gz LCONADGQFFGTRQ-VHBXLISGSA-N 2 0 332.488 2.417 10 0 EEAERP COc1ccc(OC)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289382524 275112632 /nfs/dbraw/zinc/11/26/32/275112632.db2.gz CQPOWRXZBYQCJB-UHFFFAOYSA-N 2 0 347.503 2.163 10 0 EEAERP CN1CC[NH+](CC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)CC1 ZINC000289436287 275115791 /nfs/dbraw/zinc/11/57/91/275115791.db2.gz LKRPZSLQFLHTSV-UHFFFAOYSA-N 2 0 327.476 2.022 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000353288111 276196332 /nfs/dbraw/zinc/19/63/32/276196332.db2.gz GFACRDQPAHICSS-IYWMVGAKSA-N 2 0 337.552 2.445 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000179480331 277166393 /nfs/dbraw/zinc/16/63/93/277166393.db2.gz IGVQUZSJUGVMAJ-FHWLQOOXSA-N 2 0 342.487 2.312 10 0 EEAERP C[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000247247674 278185509 /nfs/dbraw/zinc/18/55/09/278185509.db2.gz DOEGYRREQSLRHV-JTDSTZFVSA-N 2 0 329.488 2.374 10 0 EEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000415104904 279367514 /nfs/dbraw/zinc/36/75/14/279367514.db2.gz LTWSIJYNRBOHHR-HFTRVMKXSA-N 2 0 335.467 2.370 10 0 EEAERP C[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000372267575 289105211 /nfs/dbraw/zinc/10/52/11/289105211.db2.gz SBFGVAXPGSFJRS-RBUKOAKNSA-N 2 0 344.503 2.415 10 0 EEAERP CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349664093 289354892 /nfs/dbraw/zinc/35/48/92/289354892.db2.gz GEPIIPHAYUXRCX-ZWKOTPCHSA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[C@H]21 ZINC000353611739 290214550 /nfs/dbraw/zinc/21/45/50/290214550.db2.gz FCDURWPQDJIASI-OMZCGLGVSA-N 2 0 335.536 2.217 10 0 EEAERP C[NH+](C)CCNC(=O)C1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000294844106 293559744 /nfs/dbraw/zinc/55/97/44/293559744.db2.gz BLMFBGRQJBCQTI-UHFFFAOYSA-N 2 0 345.487 2.039 10 0 EEAERP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000333575913 312168625 /nfs/dbraw/zinc/16/86/25/312168625.db2.gz NABZTDCRZGNVQT-MCIONIFRSA-N 2 0 334.489 2.469 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cccs1 ZINC000416435632 313222291 /nfs/dbraw/zinc/22/22/91/313222291.db2.gz GECKSCDLOPUXGF-WMLDXEAASA-N 2 0 336.505 2.136 10 0 EEAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416874331 313344115 /nfs/dbraw/zinc/34/41/15/313344115.db2.gz PMTIAFKGXUHFOU-QZTJIDSGSA-N 2 0 330.476 2.209 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416882489 313347424 /nfs/dbraw/zinc/34/74/24/313347424.db2.gz ABFFRNQGZZVAHC-APWZRJJASA-N 2 0 344.503 2.470 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416977587 313380101 /nfs/dbraw/zinc/38/01/01/313380101.db2.gz CNFPZURFLAVLBB-OALUTQOASA-N 2 0 342.487 2.176 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000416980998 313381302 /nfs/dbraw/zinc/38/13/02/313381302.db2.gz KLSNWBWMFLIQCH-RTBURBONSA-N 2 0 344.503 2.422 10 0 EEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417194829 313445031 /nfs/dbraw/zinc/44/50/31/313445031.db2.gz NCVJIJJYGNXHGQ-QZTJIDSGSA-N 2 0 334.508 2.174 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000417314171 313481270 /nfs/dbraw/zinc/48/12/70/313481270.db2.gz QTZWQJIBYPEOLL-ROUUACIJSA-N 2 0 330.476 2.134 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418140336 313722839 /nfs/dbraw/zinc/72/28/39/313722839.db2.gz WQAMWIPUSRNBPL-UHFFFAOYSA-N 2 0 344.503 2.216 10 0 EEAERP Cn1ncc(Br)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000487533418 315764075 /nfs/dbraw/zinc/76/40/75/315764075.db2.gz GBLWDWFAUGMGRB-UHFFFAOYSA-N 2 0 329.286 2.393 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000518938862 316752696 /nfs/dbraw/zinc/75/26/96/316752696.db2.gz WDUMHRFLHXQQMF-RYQLBKOJSA-N 2 0 330.476 2.263 10 0 EEAERP CCN(C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000530239835 317703470 /nfs/dbraw/zinc/70/34/70/317703470.db2.gz VXXZRBFAGCGRSZ-LJQANCHMSA-N 2 0 345.487 2.130 10 0 EEAERP CN(CCC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cc[nH+]cc1 ZINC000540928595 318084528 /nfs/dbraw/zinc/08/45/28/318084528.db2.gz HVVYFRIRSUBOHG-GOSISDBHSA-N 2 0 344.434 2.466 10 0 EEAERP CN(CCC(=O)NCc1cccc(C[NH+](C)C)c1)c1cc[nH+]cc1 ZINC000543710247 318167150 /nfs/dbraw/zinc/16/71/50/318167150.db2.gz PHSQAXKJOCWNAH-UHFFFAOYSA-N 2 0 326.444 2.286 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000544349574 318185576 /nfs/dbraw/zinc/18/55/76/318185576.db2.gz CTOJBKQXLOOMQM-OAHLLOKOSA-N 2 0 327.432 2.053 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000565181722 319158517 /nfs/dbraw/zinc/15/85/17/319158517.db2.gz PMWWKTZZVKVHCE-KRWDZBQOSA-N 2 0 341.499 2.378 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000566682087 319311654 /nfs/dbraw/zinc/31/16/54/319311654.db2.gz NVVZAGNZYXAAAV-DTDBQYNISA-N 2 0 333.451 2.342 10 0 EEAERP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000574351642 320017908 /nfs/dbraw/zinc/01/79/08/320017908.db2.gz VKARMYKGQLVMFD-QYZOEREBSA-N 2 0 331.504 2.300 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000181831371 323357280 /nfs/dbraw/zinc/35/72/80/323357280.db2.gz VOLLKTUPAKPCKH-HNNXBMFYSA-N 2 0 328.497 2.133 10 0 EEAERP C[NH+](Cc1cncc(C[N@H+](C)C[C@@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000580814959 324132339 /nfs/dbraw/zinc/13/23/39/324132339.db2.gz ZUAAXHITLXBFHZ-OALUTQOASA-N 2 0 333.476 2.303 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479502 464247018 /nfs/dbraw/zinc/24/70/18/464247018.db2.gz DFMORIVDOJJBFC-MJGOQNOKSA-N 2 0 325.460 2.243 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000074713919 462627218 /nfs/dbraw/zinc/62/72/18/462627218.db2.gz FONXZHFRLHGJOE-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP Cc1nccn1CCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000161718478 463452942 /nfs/dbraw/zinc/45/29/42/463452942.db2.gz GNCCERSXRXIZFL-IBGZPJMESA-N 2 0 333.524 2.074 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057203917 463465225 /nfs/dbraw/zinc/46/52/25/463465225.db2.gz UCYCUCFJHKSCDA-MJGOQNOKSA-N 2 0 346.519 2.333 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105862436 463479879 /nfs/dbraw/zinc/47/98/79/463479879.db2.gz PJJHCCPWAIOLOP-KRWDZBQOSA-N 2 0 342.487 2.397 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000073887548 463666407 /nfs/dbraw/zinc/66/64/07/463666407.db2.gz JLJSXTOEXQVSGX-LJQANCHMSA-N 2 0 344.503 2.405 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000194169893 463807902 /nfs/dbraw/zinc/80/79/02/463807902.db2.gz ANYSYDUWEWMCMM-INIZCTEOSA-N 2 0 336.480 2.146 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185490201 463832063 /nfs/dbraw/zinc/83/20/63/463832063.db2.gz UIIQLUCCXBIFTO-GOSISDBHSA-N 2 0 332.492 2.244 10 0 EEAERP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)nc21 ZINC000261875716 463884689 /nfs/dbraw/zinc/88/46/89/463884689.db2.gz DPZGVVXWCZXSKJ-BZUAXINKSA-N 2 0 329.444 2.425 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261990232 463918852 /nfs/dbraw/zinc/91/88/52/463918852.db2.gz SPWULUCEEPXQJJ-RHQZKXFESA-N 2 0 337.552 2.490 10 0 EEAERP CC(=O)c1cccc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178750344 463962326 /nfs/dbraw/zinc/96/23/26/463962326.db2.gz GKSXMHPFPNICIL-SFHVURJKSA-N 2 0 340.427 2.497 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262333772 464004721 /nfs/dbraw/zinc/00/47/21/464004721.db2.gz FSSTXIANCJTNOM-HOTGVXAUSA-N 2 0 330.476 2.155 10 0 EEAERP CC1CC[NH+](CCN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000188318382 464251556 /nfs/dbraw/zinc/25/15/56/464251556.db2.gz FFURJJCWZXHKEI-NRFANRHFSA-N 2 0 345.531 2.287 10 0 EEAERP C[C@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000237373115 464311337 /nfs/dbraw/zinc/31/13/37/464311337.db2.gz ITWJQJYUWDVEIM-VQIMIIECSA-N 2 0 331.504 2.301 10 0 EEAERP CC(C)C[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000175352217 464532474 /nfs/dbraw/zinc/53/24/74/464532474.db2.gz HWWGFZXEHYVSBB-AYHJJNSGSA-N 2 0 336.524 2.421 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000246408764 464580698 /nfs/dbraw/zinc/58/06/98/464580698.db2.gz BAMUBYVWGHKKLJ-QRQLOZEOSA-N 2 0 342.487 2.139 10 0 EEAERP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000282584660 464875926 /nfs/dbraw/zinc/87/59/26/464875926.db2.gz GJEMHYYFQIAPOO-UHFFFAOYSA-N 2 0 343.475 2.086 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000192804688 465001589 /nfs/dbraw/zinc/00/15/89/465001589.db2.gz RHSGCFIXVNZZEI-RTBURBONSA-N 2 0 333.524 2.373 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000349037357 465932605 /nfs/dbraw/zinc/93/26/05/465932605.db2.gz SHPSFMNMDQFYLX-LJQANCHMSA-N 2 0 343.475 2.118 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000353671640 466056405 /nfs/dbraw/zinc/05/64/05/466056405.db2.gz LGMLESIQLMPANF-XSDIEEQYSA-N 3 0 343.515 2.216 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000600206048 468494332 /nfs/dbraw/zinc/49/43/32/468494332.db2.gz AOCSEWMRRVWCRG-IEGUWTFLSA-N 2 0 336.501 2.112 10 0 EEAERP c1ccc([C@H](CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422733913 466680756 /nfs/dbraw/zinc/68/07/56/466680756.db2.gz RYVGHURSHPPONB-ZCNNSNEGSA-N 2 0 329.488 2.180 10 0 EEAERP CCCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000417202394 466801145 /nfs/dbraw/zinc/80/11/45/466801145.db2.gz XOEXNNAUASWESR-GOSISDBHSA-N 2 0 346.519 2.333 10 0 EEAERP C[C@@H]1CCC[C@](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000417220646 466807625 /nfs/dbraw/zinc/80/76/25/466807625.db2.gz YPHQHPFKMVBXGF-XZJGIMNOSA-N 2 0 336.524 2.421 10 0 EEAERP CN(C(=O)NCC[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417229715 466809859 /nfs/dbraw/zinc/80/98/59/466809859.db2.gz IUOQOSSJJAZGNP-JWTNVVGKSA-N 2 0 330.476 2.043 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000417415332 466854543 /nfs/dbraw/zinc/85/45/43/466854543.db2.gz ZCISRJYZFHTZQM-FQEVSTJZSA-N 2 0 344.503 2.423 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417583371 466886440 /nfs/dbraw/zinc/88/64/40/466886440.db2.gz KDFHWMUZXVCZOI-KBPBESRZSA-N 2 0 346.466 2.183 10 0 EEAERP C[C@@H](CC[NH3+])NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417587459 466888207 /nfs/dbraw/zinc/88/82/07/466888207.db2.gz SHQSDRYCZMOELA-MIGBEJBISA-N 2 0 330.476 2.219 10 0 EEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417699438 466912108 /nfs/dbraw/zinc/91/21/08/466912108.db2.gz KGPYMBVBAIITRI-LJQANCHMSA-N 2 0 346.519 2.464 10 0 EEAERP C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000417743108 466923095 /nfs/dbraw/zinc/92/30/95/466923095.db2.gz WQRHDJCFPCTXEH-OFQRWUPVSA-N 2 0 336.505 2.134 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000376918263 466965670 /nfs/dbraw/zinc/96/56/70/466965670.db2.gz NOKDUPPFZWVAQT-FUHWJXTLSA-N 2 0 342.487 2.139 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000417942475 466996512 /nfs/dbraw/zinc/99/65/12/466996512.db2.gz OAPKDYPKGSMWLO-BJLQDIEVSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417974476 467006582 /nfs/dbraw/zinc/00/65/82/467006582.db2.gz DLROZCOBLHECRW-YLJYHZDGSA-N 2 0 344.503 2.292 10 0 EEAERP C[C@]1(CNC(=O)N2CC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418039365 467030666 /nfs/dbraw/zinc/03/06/66/467030666.db2.gz HEJLAKSNKXPKGS-IEBWSBKVSA-N 2 0 330.476 2.031 10 0 EEAERP O=C(NCCC[NH2+]Cc1cccnc1)NCC[NH2+]C1CCCCCC1 ZINC000418334971 467094360 /nfs/dbraw/zinc/09/43/60/467094360.db2.gz YGZHMXUQRCPYMU-UHFFFAOYSA-N 2 0 347.507 2.173 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000418341945 467095368 /nfs/dbraw/zinc/09/53/68/467095368.db2.gz IBALUNKWMFXCBG-KBAYOESNSA-N 2 0 330.476 2.215 10 0 EEAERP [NH3+][C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418447650 467112129 /nfs/dbraw/zinc/11/21/29/467112129.db2.gz ITMUFLLMMPJJMY-QZTJIDSGSA-N 2 0 330.476 2.346 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418697667 467147226 /nfs/dbraw/zinc/14/72/26/467147226.db2.gz MEBCAYRQXDYKSR-IRXDYDNUSA-N 2 0 332.492 2.072 10 0 EEAERP Cc1cnc([C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000428300026 467219571 /nfs/dbraw/zinc/21/95/71/467219571.db2.gz LDIUDYXNIYLAGU-QGZVFWFLSA-N 2 0 331.508 2.336 10 0 EEAERP CCC[C@@H](O)C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H](O)CCC)C2)C1 ZINC000451041890 467232742 /nfs/dbraw/zinc/23/27/42/467232742.db2.gz BVHPEKCWFBVWDD-CEXWTWQISA-N 2 0 326.525 2.486 10 0 EEAERP O=C1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1 ZINC000390843950 467416088 /nfs/dbraw/zinc/41/60/88/467416088.db2.gz FKZBALKHOMXVBZ-QBUWPKIASA-N 2 0 327.472 2.440 10 0 EEAERP COc1ccc(-n2cc(C[NH2+]CCCC[NH+]3CCOCC3)cn2)cc1 ZINC000449081217 467616884 /nfs/dbraw/zinc/61/68/84/467616884.db2.gz CQWWBZYOBMYVMO-UHFFFAOYSA-N 2 0 344.459 2.083 10 0 EEAERP COC[C@](C)(O)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449385900 467635366 /nfs/dbraw/zinc/63/53/66/467635366.db2.gz RRSQTEPJCQTKJP-YLJYHZDGSA-N 2 0 334.504 2.459 10 0 EEAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000455436892 467682312 /nfs/dbraw/zinc/68/23/12/467682312.db2.gz VEYTYOVPCCJIHQ-DZKIICNBSA-N 2 0 338.521 2.380 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458458320 467838723 /nfs/dbraw/zinc/83/87/23/467838723.db2.gz NADZXAFRSPYPST-IBGZPJMESA-N 2 0 336.524 2.236 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000516916582 468055663 /nfs/dbraw/zinc/05/56/63/468055663.db2.gz VQEGIMNDBZZLIH-TXPKVOOTSA-N 2 0 348.491 2.494 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000556893915 468596370 /nfs/dbraw/zinc/59/63/70/468596370.db2.gz YKRJFEJCZHFHRK-INIZCTEOSA-N 2 0 327.432 2.065 10 0 EEAERP CC1(C)CN(CC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000570342259 468625418 /nfs/dbraw/zinc/62/54/18/468625418.db2.gz GILKFFNROGJPBI-SFHVURJKSA-N 2 0 329.488 2.009 10 0 EEAERP CC[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000561125638 468865742 /nfs/dbraw/zinc/86/57/42/468865742.db2.gz NSYCUKQAURAWGM-ATZDWAIDSA-N 2 0 344.503 2.121 10 0 EEAERP O=C1[C@H](N2CC[C@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529973 468893203 /nfs/dbraw/zinc/89/32/03/468893203.db2.gz HMLZGPTYLTXVKN-IEBWSBKVSA-N 2 0 331.435 2.397 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(F)c1F ZINC000562619718 469008858 /nfs/dbraw/zinc/00/88/58/469008858.db2.gz LSJYUKWPNRQXQF-UHFFFAOYSA-N 2 0 332.370 2.061 10 0 EEAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000615853117 469328517 /nfs/dbraw/zinc/32/85/17/469328517.db2.gz FXDRGYDMFSERHM-IBGZPJMESA-N 2 0 348.535 2.389 10 0 EEAERP Clc1ccc(N2CCO[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000629520768 469571430 /nfs/dbraw/zinc/57/14/30/469571430.db2.gz MMNXIMUQAMGFMB-IXEWLPCDSA-N 2 0 335.879 2.418 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000617013552 469572034 /nfs/dbraw/zinc/57/20/34/469572034.db2.gz WPEOPSNTJFMWMT-MRXNPFEDSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000629530898 469573174 /nfs/dbraw/zinc/57/31/74/469573174.db2.gz UNNBIYNSKLRYAS-ZCNNSNEGSA-N 3 0 331.504 2.255 10 0 EEAERP C[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428914 469654441 /nfs/dbraw/zinc/65/44/41/469654441.db2.gz DXDBWUQUYQDPEB-AZUAARDMSA-N 2 0 331.504 2.086 10 0 EEAERP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)CC1(C)C ZINC000623942484 469801604 /nfs/dbraw/zinc/80/16/04/469801604.db2.gz KVRCAHHBDPXJSB-ZWKOTPCHSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000627199021 469841805 /nfs/dbraw/zinc/84/18/05/469841805.db2.gz QCENYJKMMYXBLU-LMMKCTJWSA-N 2 0 344.503 2.433 10 0 EEAERP C[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000608615457 469846364 /nfs/dbraw/zinc/84/63/64/469846364.db2.gz XYQJKRZSYTXSKG-HOCLYGCPSA-N 2 0 338.521 2.382 10 0 EEAERP C/C=C/C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624197598 469872606 /nfs/dbraw/zinc/87/26/06/469872606.db2.gz RFJRKSQUXHYGHP-LLYBFZRZSA-N 2 0 339.505 2.143 10 0 EEAERP CC[C@@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C[C@H](C)[NH2+]1 ZINC000620902224 469945064 /nfs/dbraw/zinc/94/50/64/469945064.db2.gz OLMYNPVQWUQLNU-DOTOQJQBSA-N 2 0 330.476 2.205 10 0 EEAERP O[C@H](CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)F ZINC000631216712 470095692 /nfs/dbraw/zinc/09/56/92/470095692.db2.gz NMXFVHDXXLMZIP-MRXNPFEDSA-N 2 0 328.403 2.267 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638835037 470299007 /nfs/dbraw/zinc/29/90/07/470299007.db2.gz JUVGIEHLLCENSH-ZAWLATJESA-N 2 0 329.488 2.259 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCC[C@@H]4CCO4)CC3)C2)cc1 ZINC000639162605 470415664 /nfs/dbraw/zinc/41/56/64/470415664.db2.gz UBMCVBBJPXSICB-LEWJYISDSA-N 2 0 343.515 2.448 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC/C=C/C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641861589 470503566 /nfs/dbraw/zinc/50/35/66/470503566.db2.gz CGONZQHALLUYSQ-LLHDCHNASA-N 2 0 330.476 2.196 10 0 EEAERP CN(C(=O)NC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637015637 470563138 /nfs/dbraw/zinc/56/31/38/470563138.db2.gz SXALUFRRWFVXEV-MSOLQXFVSA-N 2 0 330.476 2.044 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000643427464 470695751 /nfs/dbraw/zinc/69/57/51/470695751.db2.gz HIMAVAORUIQFNU-UHFFFAOYSA-N 2 0 329.488 2.489 10 0 EEAERP COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480973 470911481 /nfs/dbraw/zinc/91/14/81/470911481.db2.gz KQDRAQHKSKBDHR-CVEARBPZSA-N 2 0 332.444 2.430 10 0 EEAERP C[C@@]1(F)C[NH2+]CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000647544661 470927071 /nfs/dbraw/zinc/92/70/71/470927071.db2.gz OBXBTAVYCABSBG-LJQANCHMSA-N 2 0 335.467 2.295 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000638068771 470950432 /nfs/dbraw/zinc/95/04/32/470950432.db2.gz ZARRMGAPAPIMGG-LJQANCHMSA-N 2 0 340.471 2.146 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000650724703 470951867 /nfs/dbraw/zinc/95/18/67/470951867.db2.gz KWCBKAQOGQWNSO-IEBWSBKVSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764577 470960995 /nfs/dbraw/zinc/96/09/95/470960995.db2.gz DLZHBXNAGLKUNO-WBAXXEDZSA-N 2 0 325.456 2.311 10 0 EEAERP O=C(CCC1C[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638311210 471033794 /nfs/dbraw/zinc/03/37/94/471033794.db2.gz XLNCHFADQHRSHH-UXHICEINSA-N 2 0 341.499 2.499 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654551652 471067602 /nfs/dbraw/zinc/06/76/02/471067602.db2.gz UWVIZSKDQAHHOY-FOIPXRHGSA-N 2 0 334.508 2.319 10 0 EEAERP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638426260 471089740 /nfs/dbraw/zinc/08/97/40/471089740.db2.gz OROSBAZHOLIVLG-FUHWJXTLSA-N 2 0 329.488 2.403 10 0 EEAERP CCCn1nccc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000657314300 471094794 /nfs/dbraw/zinc/09/47/94/471094794.db2.gz TVTMRIYOZXLVNB-UHFFFAOYSA-N 2 0 342.491 2.120 10 0 EEAERP Cc1c(Cl)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn1C ZINC000657538382 471164271 /nfs/dbraw/zinc/16/42/71/471164271.db2.gz ZTTLOQALXLWWRB-UHFFFAOYSA-N 2 0 340.899 2.363 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000657574057 471174182 /nfs/dbraw/zinc/17/41/82/471174182.db2.gz XTZVBVWPLXBTIF-GOEBONIOSA-N 2 0 340.537 2.356 10 0 EEAERP CS(=O)(=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657655713 471201045 /nfs/dbraw/zinc/20/10/45/471201045.db2.gz CRUDFMDNPUCUOX-UHFFFAOYSA-N 2 0 348.472 2.104 10 0 EEAERP [NH3+]C[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000652211043 471255967 /nfs/dbraw/zinc/25/59/67/471255967.db2.gz SORBLHLFPGKCGZ-KRWDZBQOSA-N 2 0 326.444 2.268 10 0 EEAERP CC1(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000655519191 471362776 /nfs/dbraw/zinc/36/27/76/471362776.db2.gz PHUHREYXLKAJSR-CQSZACIVSA-N 2 0 343.393 2.295 10 0 EEAERP CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663446257 471381998 /nfs/dbraw/zinc/38/19/98/471381998.db2.gz RXPCVXSMANOQDK-WMZOPIPTSA-N 2 0 348.491 2.034 10 0 EEAERP CC1CC[NH+](Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)CC1 ZINC000669115302 471384879 /nfs/dbraw/zinc/38/48/79/471384879.db2.gz GSGCVDATQRLKSA-NSCUHMNNSA-N 2 0 330.476 2.233 10 0 EEAERP CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663620933 471450707 /nfs/dbraw/zinc/45/07/07/471450707.db2.gz SLHDQQKQWZEAIL-MSOLQXFVSA-N 2 0 338.540 2.479 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659033217 471476601 /nfs/dbraw/zinc/47/66/01/471476601.db2.gz VDXADIDLKLEYCF-QZTJIDSGSA-N 2 0 344.459 2.050 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)NCc1cc2ccccc2o1 ZINC000663719998 471490001 /nfs/dbraw/zinc/49/00/01/471490001.db2.gz MJMXSAYJGIKJGK-UHFFFAOYSA-N 2 0 332.448 2.116 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000653109765 471492994 /nfs/dbraw/zinc/49/29/94/471492994.db2.gz LVUBQSCSHQRFRD-AQNXPRMDSA-N 2 0 341.499 2.470 10 0 EEAERP CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCCc2cccnc21 ZINC000666705267 471500801 /nfs/dbraw/zinc/50/08/01/471500801.db2.gz WAHMLAVCPHUSKS-SJLPKXTDSA-N 2 0 344.503 2.368 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655914919 471537192 /nfs/dbraw/zinc/53/71/92/471537192.db2.gz JFWISGVOZADUSC-AWEZNQCLSA-N 2 0 346.397 2.169 10 0 EEAERP [NH3+]C[C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000659368931 471595093 /nfs/dbraw/zinc/59/50/93/471595093.db2.gz QEWQAMJXEQIONL-ZWKOTPCHSA-N 2 0 325.412 2.029 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000659468670 471642479 /nfs/dbraw/zinc/64/24/79/471642479.db2.gz DCFAQXDFDYPUPT-RYQLBKOJSA-N 2 0 332.492 2.322 10 0 EEAERP CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664133388 471649745 /nfs/dbraw/zinc/64/97/45/471649745.db2.gz LJMVJDGHYNOUEM-MRXNPFEDSA-N 2 0 336.455 2.123 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659580325 471684904 /nfs/dbraw/zinc/68/49/04/471684904.db2.gz ZIWNIQGGAFOCGH-RTBURBONSA-N 2 0 344.503 2.259 10 0 EEAERP C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000664560921 471795379 /nfs/dbraw/zinc/79/53/79/471795379.db2.gz UFKJFNMFSQMOML-ZDUSSCGKSA-N 2 0 342.434 2.209 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000664909869 471894904 /nfs/dbraw/zinc/89/49/04/471894904.db2.gz BICLBSFBVVVRAD-BHIYHBOVSA-N 2 0 344.503 2.385 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667780294 471901362 /nfs/dbraw/zinc/90/13/62/471901362.db2.gz GYYMDZBDYMACIK-LEWJYISDSA-N 2 0 343.515 2.351 10 0 EEAERP COc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1S(C)(=O)=O ZINC000665280857 471987711 /nfs/dbraw/zinc/98/77/11/471987711.db2.gz NCUHHJRYJZHYLU-GXTWGEPZSA-N 2 0 328.478 2.123 10 0 EEAERP Cc1cc(NC(=O)[C@@H]([NH3+])COC(C)C)ccc1OCC[NH+]1CCCC1 ZINC000662467171 472118451 /nfs/dbraw/zinc/11/84/51/472118451.db2.gz QSUUEYCZNCDLBE-KRWDZBQOSA-N 2 0 349.475 2.160 10 0 EEAERP CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662537223 472144022 /nfs/dbraw/zinc/14/40/22/472144022.db2.gz XZLYFWCUFQHPMD-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662717107 472220332 /nfs/dbraw/zinc/22/03/32/472220332.db2.gz XFBCDZXWKIPRNJ-RTBURBONSA-N 2 0 341.499 2.405 10 0 EEAERP C[C@@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758394 472238452 /nfs/dbraw/zinc/23/84/52/472238452.db2.gz OGMQGYRXMKBVER-CRAIPNDOSA-N 2 0 329.488 2.483 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188953933 485514827 /nfs/dbraw/zinc/51/48/27/485514827.db2.gz JHRNKJZPTAIGMQ-HYVNUMGLSA-N 2 0 325.472 2.190 10 0 EEAERP CCC1(N2CCOCC2)CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000599670695 485625132 /nfs/dbraw/zinc/62/51/32/485625132.db2.gz YSGMTJSKBUXING-UHFFFAOYSA-N 2 0 326.481 2.295 10 0 EEAERP O=C(C[C@H]1CCC[NH2+]C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397576935 485673660 /nfs/dbraw/zinc/67/36/60/485673660.db2.gz BMUVNBWPBMIBMN-LJQANCHMSA-N 2 0 329.488 2.405 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000629545019 485731896 /nfs/dbraw/zinc/73/18/96/485731896.db2.gz PCUOSXOERLDRDQ-OIPACUDHSA-N 2 0 341.455 2.324 10 0 EEAERP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000629598608 485740365 /nfs/dbraw/zinc/74/03/65/485740365.db2.gz PGZPZGUNSOYDLA-VDGAXYAQSA-N 2 0 331.504 2.069 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000681655662 486300441 /nfs/dbraw/zinc/30/04/41/486300441.db2.gz UXCDVBKQTYGCDQ-ICSRJNTNSA-N 2 0 344.503 2.435 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000678363364 486624226 /nfs/dbraw/zinc/62/42/26/486624226.db2.gz XRNPXPPDBQXWBL-PKOBYXMFSA-N 2 0 334.460 2.055 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000174180322 527813564 /nfs/dbraw/zinc/81/35/64/527813564.db2.gz ONMAGWXIHJHVFS-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000415940293 528354843 /nfs/dbraw/zinc/35/48/43/528354843.db2.gz DEBAHQWBTTUCJJ-UHFFFAOYSA-N 2 0 348.491 2.419 10 0 EEAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422795996 535612855 /nfs/dbraw/zinc/61/28/55/535612855.db2.gz XGKYFUNBEUJBKN-WOJBJXKFSA-N 2 0 331.504 2.385 10 0 EEAERP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc(OC)n1 ZINC000924953180 681919004 /nfs/dbraw/zinc/91/90/04/681919004.db2.gz QAVDNNMOUYWKEH-IRXDYDNUSA-N 2 0 334.508 2.405 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cnn(C2CCC2)c1 ZINC000925041646 682666062 /nfs/dbraw/zinc/66/60/62/682666062.db2.gz QAGGLQLJLQQNNV-WBVHZDCISA-N 2 0 331.508 2.427 10 0 EEAERP C[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C[NH+]1CCCC1 ZINC000914243214 683411795 /nfs/dbraw/zinc/41/17/95/683411795.db2.gz GMBIBNBAUAZWAP-LRYGQEGESA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H](CCO)[N@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895149588 684124296 /nfs/dbraw/zinc/12/42/96/684124296.db2.gz LTQMMSHCBYIQJC-NSHDSACASA-N 2 0 330.375 2.272 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000925125827 684435004 /nfs/dbraw/zinc/43/50/04/684435004.db2.gz WAPZZYOQESQLPW-RTHVDDQRSA-N 2 0 333.451 2.092 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000896621823 685130579 /nfs/dbraw/zinc/13/05/79/685130579.db2.gz AJRIQUQMSWTCKA-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000899179983 693649210 /nfs/dbraw/zinc/64/92/10/693649210.db2.gz RNTIQXDSVFIGON-LJQANCHMSA-N 2 0 349.519 2.011 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001485705932 1191899606 /nfs/dbraw/zinc/89/96/06/1191899606.db2.gz PPIFNCYAIAHGMY-VAMGGRTRSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714725 1191905869 /nfs/dbraw/zinc/90/58/69/1191905869.db2.gz LVJXBJOPLBQPSD-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001485726836 1191912074 /nfs/dbraw/zinc/91/20/74/1191912074.db2.gz HTMZWXLUUQYWCP-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001485739761 1191916687 /nfs/dbraw/zinc/91/66/87/1191916687.db2.gz ZRIZPKFZQCJUFY-NVXWUHKLSA-N 2 0 332.492 2.106 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cc(C)ncn1 ZINC001485750839 1191931562 /nfs/dbraw/zinc/93/15/62/1191931562.db2.gz CBMJIXHFAMIVNS-QAPCUYQASA-N 2 0 347.507 2.034 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001485768036 1191942084 /nfs/dbraw/zinc/94/20/84/1191942084.db2.gz XRVSTWNAZSPAAS-IAGOWNOFSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266251374 1176027237 /nfs/dbraw/zinc/02/72/37/1176027237.db2.gz CAZNORWJAZZMMP-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001266545357 1176804229 /nfs/dbraw/zinc/80/42/29/1176804229.db2.gz MSJJYVCKJZJSOA-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccccc1OCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001266760116 1177368139 /nfs/dbraw/zinc/36/81/39/1177368139.db2.gz VOFKPJCZEAZQHZ-UHFFFAOYSA-N 2 0 345.487 2.050 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)CC1 ZINC001267054847 1178160772 /nfs/dbraw/zinc/16/07/72/1178160772.db2.gz DRQIKIGYWWZPFL-LJQANCHMSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@H](CCNC(=O)c1cccc2nccn21)[NH2+]CCOC1CCC1 ZINC001267138011 1178312030 /nfs/dbraw/zinc/31/20/30/1178312030.db2.gz KEOIZKFBURWRSL-CQSZACIVSA-N 2 0 330.432 2.001 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC001267454450 1179034205 /nfs/dbraw/zinc/03/42/05/1179034205.db2.gz ZAKJSUXSWSRNOD-PKOBYXMFSA-N 2 0 347.503 2.154 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC[C@@H]3CC3(Cl)Cl)C2)CCC1 ZINC001267744572 1180374037 /nfs/dbraw/zinc/37/40/37/1180374037.db2.gz VPGJYMQZXBCRLO-CHWSQXEVSA-N 2 0 348.318 2.245 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001267922612 1180769265 /nfs/dbraw/zinc/76/92/65/1180769265.db2.gz ZBDJRGFEWNPRIQ-GOSISDBHSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001267930379 1180779613 /nfs/dbraw/zinc/77/96/13/1180779613.db2.gz CTKYQJXCZVPXFA-IYARVYRRSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001267970834 1180876220 /nfs/dbraw/zinc/87/62/20/1180876220.db2.gz OTXDPMUJYYOMEC-RBUKOAKNSA-N 2 0 329.488 2.070 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001267989508 1180927946 /nfs/dbraw/zinc/92/79/46/1180927946.db2.gz CDFXFRDFGQQTGG-QFBILLFUSA-N 2 0 347.503 2.064 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001267989506 1180928148 /nfs/dbraw/zinc/92/81/48/1180928148.db2.gz CDFXFRDFGQQTGG-APWZRJJASA-N 2 0 347.503 2.064 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)CC[NH+]1CCCCC1 ZINC001481319427 1181025175 /nfs/dbraw/zinc/02/51/75/1181025175.db2.gz DQMQXTAUKQTOTQ-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481462469 1181462896 /nfs/dbraw/zinc/46/28/96/1181462896.db2.gz BXFOIVOTEOZJDS-PKOBYXMFSA-N 2 0 329.488 2.275 10 0 EEAERP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001481528335 1181652286 /nfs/dbraw/zinc/65/22/86/1181652286.db2.gz HKVJAJKGAQZTML-NVXWUHKLSA-N 2 0 333.476 2.289 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1C[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001481595897 1181827669 /nfs/dbraw/zinc/82/76/69/1181827669.db2.gz SFFLUADAQZMUKX-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)OC ZINC001268162173 1181874326 /nfs/dbraw/zinc/87/43/26/1181874326.db2.gz IKYMAWJLJYUJCY-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001268166395 1181904468 /nfs/dbraw/zinc/90/44/68/1181904468.db2.gz SNWWVFWGMKQPMR-GOSISDBHSA-N 2 0 344.503 2.347 10 0 EEAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481636854 1182004883 /nfs/dbraw/zinc/00/48/83/1182004883.db2.gz ORCRUJNJUIRQMO-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001268367087 1182348302 /nfs/dbraw/zinc/34/83/02/1182348302.db2.gz RWXNKBCNHJQJSS-YLJYHZDGSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424407 1182590918 /nfs/dbraw/zinc/59/09/18/1182590918.db2.gz UTFOUDNKBBPEOK-ZFWWWQNUSA-N 2 0 331.451 2.248 10 0 EEAERP CCN(CC[NH2+]C[C@@H](OC)c1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451576 1182645666 /nfs/dbraw/zinc/64/56/66/1182645666.db2.gz LYFZUYFSPYQOQE-BHIYHBOVSA-N 2 0 347.503 2.152 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOc1c(C)cccc1C ZINC001481797912 1182715041 /nfs/dbraw/zinc/71/50/41/1182715041.db2.gz MAWHWQZNJGRIMR-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481850742 1182800011 /nfs/dbraw/zinc/80/00/11/1182800011.db2.gz OYJVZFMDAZTGCI-QAPCUYQASA-N 2 0 347.503 2.330 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001481870807 1182832026 /nfs/dbraw/zinc/83/20/26/1182832026.db2.gz OEKFRKXMHLVYJN-ZIAGYGMSSA-N 2 0 329.435 2.002 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001482050322 1183242877 /nfs/dbraw/zinc/24/28/77/1183242877.db2.gz WQJIHKFKUFOPHV-HNNXBMFYSA-N 2 0 349.441 2.499 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482083908 1183308729 /nfs/dbraw/zinc/30/87/29/1183308729.db2.gz FTSBLCIIEYDGEA-APWZRJJASA-N 2 0 331.504 2.228 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cncs1 ZINC001482149583 1183467657 /nfs/dbraw/zinc/46/76/57/1183467657.db2.gz SHCBKLIYWXRCEV-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCCc2ccccc2)C1 ZINC001268703184 1183624659 /nfs/dbraw/zinc/62/46/59/1183624659.db2.gz JRPIKOWQGGZDIC-IBGZPJMESA-N 2 0 329.488 2.152 10 0 EEAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268792721 1183706764 /nfs/dbraw/zinc/70/67/64/1183706764.db2.gz CBMABRUNMYAHNU-IBGZPJMESA-N 2 0 329.488 2.275 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001268793987 1183710516 /nfs/dbraw/zinc/71/05/16/1183710516.db2.gz VBTLKQHMFMKQMZ-UKRRQHHQSA-N 2 0 339.430 2.243 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001268836975 1183751021 /nfs/dbraw/zinc/75/10/21/1183751021.db2.gz ZDPMSOVNMKNYRW-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001268919869 1183817217 /nfs/dbraw/zinc/81/72/17/1183817217.db2.gz AWVHPVITMNSGJP-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cnccc1C ZINC001268962525 1183859351 /nfs/dbraw/zinc/85/93/51/1183859351.db2.gz SQWXQVVSJGDSLG-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001269061800 1183927432 /nfs/dbraw/zinc/92/74/32/1183927432.db2.gz QUITZDWGFUPIBZ-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269071818 1183939583 /nfs/dbraw/zinc/93/95/83/1183939583.db2.gz RLBFPTJGTMGRKF-UONOGXRCSA-N 2 0 335.414 2.296 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2coc(C3CC3)n2)CCCC1 ZINC001482213109 1184173479 /nfs/dbraw/zinc/17/34/79/1184173479.db2.gz CIMYFWCVQQLWRP-INIZCTEOSA-N 2 0 346.475 2.165 10 0 EEAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001269766227 1184602686 /nfs/dbraw/zinc/60/26/86/1184602686.db2.gz UAYUSTIJOFWFDW-QAPCUYQASA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CC[C@H]2CCCO2)CC1)[NH+](C)C ZINC001269877478 1184688124 /nfs/dbraw/zinc/68/81/24/1184688124.db2.gz MOINWVBOAGQJMH-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCF)CC2)CC1 ZINC001269928825 1184725826 /nfs/dbraw/zinc/72/58/26/1184725826.db2.gz UZAXYYIRDHFAAH-UHFFFAOYSA-N 2 0 327.488 2.295 10 0 EEAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001269969608 1184755107 /nfs/dbraw/zinc/75/51/07/1184755107.db2.gz IVYZSTARLOINAG-AKBADGPISA-N 2 0 337.508 2.080 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001270024695 1184793031 /nfs/dbraw/zinc/79/30/31/1184793031.db2.gz HRUZMOXCBPRZMG-XLAORIBOSA-N 2 0 337.508 2.057 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001270031043 1184800007 /nfs/dbraw/zinc/80/00/07/1184800007.db2.gz KJKCSZBWHQIHHC-WGSAOQKQSA-N 2 0 347.503 2.415 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1)C1CCC1 ZINC001270067175 1184822908 /nfs/dbraw/zinc/82/29/08/1184822908.db2.gz RKJQTQWZPSXHPE-SFHVURJKSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCCCCC1 ZINC001270259948 1184966046 /nfs/dbraw/zinc/96/60/46/1184966046.db2.gz YXXNPGRKEKWSIG-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001270259795 1184966276 /nfs/dbraw/zinc/96/62/76/1184966276.db2.gz VXSYZSRYJJARCC-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737993 1185356748 /nfs/dbraw/zinc/35/67/48/1185356748.db2.gz XTBZRCLQMTVKJA-SJLPKXTDSA-N 2 0 325.472 2.191 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508267 1185360857 /nfs/dbraw/zinc/36/08/57/1185360857.db2.gz IUWNSHWMZLWKLW-RTBURBONSA-N 2 0 329.488 2.294 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482399339 1185616552 /nfs/dbraw/zinc/61/65/52/1185616552.db2.gz YIHTVLXCTNSYDA-OLZOCXBDSA-N 2 0 336.307 2.378 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001482449505 1185819517 /nfs/dbraw/zinc/81/95/17/1185819517.db2.gz PDRQXUPWHZNUHG-QGPMSJSTSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482459493 1185920531 /nfs/dbraw/zinc/92/05/31/1185920531.db2.gz CKGKCRKGQBALIO-OALUTQOASA-N 2 0 344.503 2.203 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642758 1187474304 /nfs/dbraw/zinc/47/43/04/1187474304.db2.gz SJKIWSKDACIXNF-KRWDZBQOSA-N 2 0 342.487 2.400 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCCCF)CC1 ZINC001482685108 1187650499 /nfs/dbraw/zinc/65/04/99/1187650499.db2.gz DYAOQGOUQNUQDC-IAGOWNOFSA-N 2 0 327.488 2.343 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cnc(Cl)s1)C(=O)CC[NH+](C)C ZINC001505831025 1187678697 /nfs/dbraw/zinc/67/86/97/1187678697.db2.gz GCJIMJHTGPXMQK-UHFFFAOYSA-N 2 0 346.928 2.322 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482846989 1187765779 /nfs/dbraw/zinc/76/57/79/1187765779.db2.gz NIVYSFFAZKFDBM-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001482866578 1187786174 /nfs/dbraw/zinc/78/61/74/1187786174.db2.gz AHPZNLHMSCGOFV-DGCLKSJQSA-N 2 0 346.928 2.367 10 0 EEAERP CCN(CC[NH2+]CCCc1ccc(C)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001482963121 1187898561 /nfs/dbraw/zinc/89/85/61/1187898561.db2.gz GPKIXBPNUHPYJR-UHFFFAOYSA-N 2 0 343.515 2.462 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482966586 1187902915 /nfs/dbraw/zinc/90/29/15/1187902915.db2.gz CGHLMRFUPYFMTQ-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001482991147 1187969476 /nfs/dbraw/zinc/96/94/76/1187969476.db2.gz MSLAWPLMXLHSAB-AXMVSILFSA-N 2 0 327.472 2.420 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001483008180 1187990296 /nfs/dbraw/zinc/99/02/96/1187990296.db2.gz HNCGYBSYKBUXQD-NEHGQXHXSA-N 2 0 327.472 2.302 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001483022139 1188011632 /nfs/dbraw/zinc/01/16/32/1188011632.db2.gz RZGJOFFLIDRPOQ-MPNWYJEXSA-N 2 0 329.435 2.168 10 0 EEAERP Cc1ccc(OCCC[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001691603244 1188303400 /nfs/dbraw/zinc/30/34/00/1188303400.db2.gz WZVLIZSXEJCXOF-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CCC2(CC2)CC1)C12CC[NH+](CC1)C2 ZINC001483083939 1188445971 /nfs/dbraw/zinc/44/59/71/1188445971.db2.gz TUIBPALCZUQGPC-OWOJBTEDSA-N 2 0 331.504 2.315 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C\C[NH2+]C[C@H]2CCCOC2)c1 ZINC001483097669 1188472971 /nfs/dbraw/zinc/47/29/71/1188472971.db2.gz LAHPFRJQSYEGHB-DDKKJVIOSA-N 2 0 345.487 2.050 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483099031 1188475738 /nfs/dbraw/zinc/47/57/38/1188475738.db2.gz VPTFVMAXWIUHAK-MBVDDHJVSA-N 2 0 331.451 2.414 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001485835106 1193572948 /nfs/dbraw/zinc/57/29/48/1193572948.db2.gz VCVPDDYRXQIWHC-HXUWFJFHSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCc3nccn3C2)c1 ZINC001272874564 1193587780 /nfs/dbraw/zinc/58/77/80/1193587780.db2.gz XANUQPPTRGYVET-WMZOPIPTSA-N 2 0 340.471 2.439 10 0 EEAERP C[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156143 1188960980 /nfs/dbraw/zinc/96/09/80/1188960980.db2.gz JUOPNTKWHQZNJV-OAHLLOKOSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2)s1)NC(=O)CC[NH+](C)C ZINC001483162705 1188986553 /nfs/dbraw/zinc/98/65/53/1188986553.db2.gz KXBUMIVYKYEKOE-CQSZACIVSA-N 2 0 346.500 2.356 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1ccnc1 ZINC001483171547 1189010742 /nfs/dbraw/zinc/01/07/42/1189010742.db2.gz XFUKPCDWHHZVBJ-CABCVRRESA-N 2 0 346.479 2.215 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCc2c1cccc2F ZINC001485945595 1193654479 /nfs/dbraw/zinc/65/44/79/1193654479.db2.gz XTMJCYPNNDTLCO-KDOFPFPSSA-N 2 0 345.462 2.345 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001485960155 1193659315 /nfs/dbraw/zinc/65/93/15/1193659315.db2.gz ACKSIOZCEUTCHA-KSSFIOAISA-N 2 0 348.491 2.363 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H]2CC[NH+](C)C2)cc1C ZINC001409661082 1190158269 /nfs/dbraw/zinc/15/82/69/1190158269.db2.gz ZLPQVSNXVAXLRH-SJLPKXTDSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266113 1190290460 /nfs/dbraw/zinc/29/04/60/1190290460.db2.gz DIDLYKQKAVDNJJ-CVEARBPZSA-N 2 0 340.471 2.171 10 0 EEAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483267098 1190292333 /nfs/dbraw/zinc/29/23/33/1190292333.db2.gz RXWPFADGJRKENJ-IPELMVKDSA-N 2 0 329.488 2.226 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCOCC2)[C@H]1C ZINC001486092881 1193679239 /nfs/dbraw/zinc/67/92/39/1193679239.db2.gz IKBMJBBRDZULFX-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncsc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483486939 1190506230 /nfs/dbraw/zinc/50/62/30/1190506230.db2.gz JAEJHBDHFASFTM-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP CN(CCC[NH2+]Cc1sccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483510126 1190524258 /nfs/dbraw/zinc/52/42/58/1190524258.db2.gz YGOXZVFHJQQQMN-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001483574015 1190564065 /nfs/dbraw/zinc/56/40/65/1190564065.db2.gz OBDVDPKOZDRJEJ-DYVFJYSZSA-N 2 0 345.422 2.113 10 0 EEAERP CC[C@H](F)C[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001409777967 1190594663 /nfs/dbraw/zinc/59/46/63/1190594663.db2.gz IYEDACCPBVHJRK-HNNXBMFYSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001272536984 1190870696 /nfs/dbraw/zinc/87/06/96/1190870696.db2.gz OCWUQHHSVZKBOZ-SJORKVTESA-N 2 0 341.540 2.144 10 0 EEAERP Cc1cccc(OCC[NH2+]C2(CNC(=O)[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC001483744501 1190897204 /nfs/dbraw/zinc/89/72/04/1190897204.db2.gz AEUCUUGGLJUXLO-GOSISDBHSA-N 2 0 345.487 2.097 10 0 EEAERP CCc1noc(C)c1C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001483794989 1191033962 /nfs/dbraw/zinc/03/39/62/1191033962.db2.gz ZLVPKPDFSGOFQJ-OKILXGFUSA-N 2 0 348.491 2.157 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH+](CCCOC)C1 ZINC001483800753 1191042551 /nfs/dbraw/zinc/04/25/51/1191042551.db2.gz BONVSDDOKFANOH-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001483845821 1191080937 /nfs/dbraw/zinc/08/09/37/1191080937.db2.gz BQEYOKDSAJMWBS-HFTQHKIXSA-N 2 0 327.900 2.395 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCOCC1)C1CCCC1 ZINC001484014904 1191156504 /nfs/dbraw/zinc/15/65/04/1191156504.db2.gz TZNYJTCRACICCV-GOSISDBHSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484185749 1191264289 /nfs/dbraw/zinc/26/42/89/1191264289.db2.gz WNLVCMCUORBRDX-QZTJIDSGSA-N 2 0 349.519 2.058 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC001484319271 1191302802 /nfs/dbraw/zinc/30/28/02/1191302802.db2.gz YIYNXAPPVSNRGT-FHWLQOOXSA-N 2 0 341.499 2.498 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC001484414182 1191340630 /nfs/dbraw/zinc/34/06/30/1191340630.db2.gz BVAUZBNFEOCWNW-GASCZTMLSA-N 2 0 349.441 2.451 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]C[C@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC001484528266 1191399583 /nfs/dbraw/zinc/39/95/83/1191399583.db2.gz YINQOHSSKFDBPP-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484537939 1191404538 /nfs/dbraw/zinc/40/45/38/1191404538.db2.gz QELAOROZARCZLH-IRXDYDNUSA-N 2 0 347.478 2.496 10 0 EEAERP CCCCOCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001484582457 1191426543 /nfs/dbraw/zinc/42/65/43/1191426543.db2.gz XQYWAZVCMOSGMW-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001484680947 1191464879 /nfs/dbraw/zinc/46/48/79/1191464879.db2.gz SBDRPPYXHFISPZ-VGRIIWOTSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cnc(CN2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2)s1 ZINC001484728910 1191487769 /nfs/dbraw/zinc/48/77/69/1191487769.db2.gz YTVMZQQUIDNXDV-OAHLLOKOSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001484746780 1191497278 /nfs/dbraw/zinc/49/72/78/1191497278.db2.gz GTQSBJVVKNTNKV-UHFFFAOYSA-N 2 0 339.524 2.091 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCOC(C)C)C2)C1)[NH+](C)C ZINC001484830136 1191537817 /nfs/dbraw/zinc/53/78/17/1191537817.db2.gz KQMLKSAIMCIGTR-MJGOQNOKSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001493839615 1191553365 /nfs/dbraw/zinc/55/33/65/1191553365.db2.gz JEDLVOPNNBXSBD-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001484928213 1191574143 /nfs/dbraw/zinc/57/41/43/1191574143.db2.gz KZTGBBAQXSYMJY-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCC1CCOCC1 ZINC001485179775 1191679090 /nfs/dbraw/zinc/67/90/90/1191679090.db2.gz JKEXFUHYVFGIJS-HOTGVXAUSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001485318704 1191732812 /nfs/dbraw/zinc/73/28/12/1191732812.db2.gz JHUVENGRUUDMSI-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC001485384729 1191769164 /nfs/dbraw/zinc/76/91/64/1191769164.db2.gz XUGFSDMFTWGGQY-GXTWGEPZSA-N 2 0 341.858 2.367 10 0 EEAERP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001485464732 1191794665 /nfs/dbraw/zinc/79/46/65/1191794665.db2.gz XOIWSPOGNVDCEI-QZTJIDSGSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]Cc2ccccn2)CCCCC1 ZINC001485458225 1191797088 /nfs/dbraw/zinc/79/70/88/1191797088.db2.gz HZHSEFSAQNIVLA-UHFFFAOYSA-N 2 0 330.476 2.086 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC001485476959 1191804588 /nfs/dbraw/zinc/80/45/88/1191804588.db2.gz PAOBFCMBCPZNOE-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cncc(C[N@@H+]2CC[C@@]3(NC(=O)CCC[NH+](C)C)CCC[C@@H]23)c1 ZINC001486151772 1193702478 /nfs/dbraw/zinc/70/24/78/1193702478.db2.gz YDFMOLNJOLMTRB-QUCCMNQESA-N 2 0 344.503 2.345 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC001486246940 1193773320 /nfs/dbraw/zinc/77/33/20/1193773320.db2.gz VLNZFJFQAJOLQJ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCOCC(C)C)C1 ZINC001486482989 1193996871 /nfs/dbraw/zinc/99/68/71/1193996871.db2.gz AMVLQXTWIXWQHY-DAWZGUTISA-N 2 0 339.524 2.112 10 0 EEAERP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH2+]CCC2CC2)cc1F ZINC001486525675 1194048504 /nfs/dbraw/zinc/04/85/04/1194048504.db2.gz TUYFDXFAIOQGEF-UHFFFAOYSA-N 2 0 333.451 2.427 10 0 EEAERP C[C@@]12CN(C(=O)C[C@H]([NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702075822 1195714948 /nfs/dbraw/zinc/71/49/48/1195714948.db2.gz DXFQBPXOHBHULM-CMKODMSKSA-N 2 0 327.472 2.094 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001410307324 1197669607 /nfs/dbraw/zinc/66/96/07/1197669607.db2.gz FJIQEEPKVQAXSA-VDZJLULYSA-N 2 0 344.503 2.139 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001410368312 1197759590 /nfs/dbraw/zinc/75/95/90/1197759590.db2.gz AVWCSPQASNFBAY-QAPCUYQASA-N 2 0 347.478 2.412 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001410384912 1197784056 /nfs/dbraw/zinc/78/40/56/1197784056.db2.gz QREHZBVXGZCZDP-UXIGCNINSA-N 2 0 338.521 2.037 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000864681669 1197887086 /nfs/dbraw/zinc/88/70/86/1197887086.db2.gz KSFMYZGUARPJBS-DOTOQJQBSA-N 2 0 330.476 2.107 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000865674116 1198326997 /nfs/dbraw/zinc/32/69/97/1198326997.db2.gz OABUKOUFOQFGMV-AWEZNQCLSA-N 2 0 330.432 2.455 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)[C@H]1C ZINC001410844718 1198495052 /nfs/dbraw/zinc/49/50/52/1198495052.db2.gz JKTQHYWZWCPXHF-QAPCUYQASA-N 2 0 335.467 2.287 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001410856427 1198507844 /nfs/dbraw/zinc/50/78/44/1198507844.db2.gz NXTYHDRQWJAYSW-HUUCEWRRSA-N 2 0 336.480 2.137 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001410953735 1198621558 /nfs/dbraw/zinc/62/15/58/1198621558.db2.gz KOINUUHPJDFNPJ-SJORKVTESA-N 2 0 349.523 2.179 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cncs1)C(C)(C)C ZINC001411217941 1198927466 /nfs/dbraw/zinc/92/74/66/1198927466.db2.gz ORJTWWNCJKGZJK-CQSZACIVSA-N 2 0 326.510 2.105 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001411221591 1198931846 /nfs/dbraw/zinc/93/18/46/1198931846.db2.gz WWYOOZJAYFSXNS-KRWDZBQOSA-N 2 0 329.488 2.403 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2cncc(C)c2)CC1 ZINC001411242071 1198960417 /nfs/dbraw/zinc/96/04/17/1198960417.db2.gz XXKDYKLTOSGUNV-KRWDZBQOSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810182507 1199336805 /nfs/dbraw/zinc/33/68/05/1199336805.db2.gz VCKGLRCXIYDCCV-YLJYHZDGSA-N 2 0 349.494 2.488 10 0 EEAERP Cc1ccc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000870018834 1200410692 /nfs/dbraw/zinc/41/06/92/1200410692.db2.gz XWOWRVKHRXWEBP-HZPDHXFCSA-N 2 0 337.533 2.187 10 0 EEAERP Cc1cccc(C2(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)CC2)c1 ZINC000870023104 1200412774 /nfs/dbraw/zinc/41/27/74/1200412774.db2.gz LNDPICSGYPRQRN-QZTJIDSGSA-N 2 0 343.515 2.224 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870872704 1200922832 /nfs/dbraw/zinc/92/28/32/1200922832.db2.gz HCDGBECSACEAFN-GBJJWRMUSA-N 2 0 327.472 2.470 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000813072413 1201099162 /nfs/dbraw/zinc/09/91/62/1201099162.db2.gz GQKVDLYJIGMCKM-RKVPGOIHSA-N 2 0 325.472 2.142 10 0 EEAERP C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000866668461 1201575161 /nfs/dbraw/zinc/57/51/61/1201575161.db2.gz DMWZBXYAMODLNE-ZDUSSCGKSA-N 2 0 327.856 2.143 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000868166177 1201756327 /nfs/dbraw/zinc/75/63/27/1201756327.db2.gz HCTGRPJCCPSNPU-XVTSOASTSA-N 2 0 345.491 2.282 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000868168993 1201756955 /nfs/dbraw/zinc/75/69/55/1201756955.db2.gz SPGPMBQFOOUACG-UHFFFAOYSA-N 2 0 346.475 2.112 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2sccc2Cl)C1 ZINC001274579469 1205086863 /nfs/dbraw/zinc/08/68/63/1205086863.db2.gz UNQGDEBMVREESJ-ZZKXABKFSA-N 2 0 327.881 2.115 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274759552 1205154369 /nfs/dbraw/zinc/15/43/69/1205154369.db2.gz DPNZPHKREMPAST-IIDMSEBBSA-N 2 0 335.467 2.193 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274760659 1205155285 /nfs/dbraw/zinc/15/52/85/1205155285.db2.gz OXMJZLGULDGIDM-YLJYHZDGSA-N 2 0 343.515 2.364 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001275157888 1205270722 /nfs/dbraw/zinc/27/07/22/1205270722.db2.gz XQAIPEBHIJPYLO-AEGPPILISA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001275179853 1205275834 /nfs/dbraw/zinc/27/58/34/1205275834.db2.gz NTCPFPLMFDEGRI-MAUKXSAKSA-N 2 0 337.508 2.057 10 0 EEAERP O=C(NC1CC(C[NH2+]CCOC2CCC2)C1)c1cc2c[nH]ccc-2n1 ZINC001275250573 1205290880 /nfs/dbraw/zinc/29/08/80/1205290880.db2.gz LJMVXJBIGISNEG-UHFFFAOYSA-N 2 0 342.443 2.230 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001276170913 1205812378 /nfs/dbraw/zinc/81/23/78/1205812378.db2.gz SUHLIPVYQGHNTI-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924658059 1206012476 /nfs/dbraw/zinc/01/24/76/1206012476.db2.gz JPGKROWSPQKPRR-ICSRJNTNSA-N 2 0 330.520 2.410 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@H](C)C1 ZINC000924662266 1206013779 /nfs/dbraw/zinc/01/37/79/1206013779.db2.gz TVAVCWXHLYEMET-PBHICJAKSA-N 2 0 333.480 2.019 10 0 EEAERP Cc1ccccc1C[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925316356 1206095279 /nfs/dbraw/zinc/09/52/79/1206095279.db2.gz ZAWFUXIAFRHEMN-MJGOQNOKSA-N 2 0 344.503 2.305 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2NC(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC000925396696 1206106644 /nfs/dbraw/zinc/10/66/44/1206106644.db2.gz BRTJEDSFNAVNRQ-BFYDXBDKSA-N 2 0 346.475 2.121 10 0 EEAERP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925496478 1206119737 /nfs/dbraw/zinc/11/97/37/1206119737.db2.gz VBJFYRAIWVIWMO-RBUKOAKNSA-N 2 0 329.488 2.483 10 0 EEAERP COc1cc(OC)cc(OCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925585749 1206132053 /nfs/dbraw/zinc/13/20/53/1206132053.db2.gz WLLVEDZCRUXTGM-FGTMMUONSA-N 2 0 334.460 2.449 10 0 EEAERP CC1(C)[C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925594824 1206133493 /nfs/dbraw/zinc/13/34/93/1206133493.db2.gz HNMWVTNBWSZVLW-XFBWCDHKSA-N 2 0 337.414 2.061 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925800511 1206155046 /nfs/dbraw/zinc/15/50/46/1206155046.db2.gz SGFMLCAJTQREAK-KWXGJIJISA-N 2 0 342.549 2.490 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1nccn1C ZINC000925809704 1206156406 /nfs/dbraw/zinc/15/64/06/1206156406.db2.gz SXFRMBYZNPVANO-SFHVURJKSA-N 2 0 327.476 2.066 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000925813362 1206156739 /nfs/dbraw/zinc/15/67/39/1206156739.db2.gz UIDPTVKTSRKJGJ-HNNXBMFYSA-N 2 0 342.409 2.491 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)CC12CC[NH2+]CC2 ZINC000925848129 1206160134 /nfs/dbraw/zinc/16/01/34/1206160134.db2.gz ANBBBMHRJRXWLD-ROUUACIJSA-N 2 0 328.456 2.209 10 0 EEAERP CN1CCO[C@H]([C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000925882297 1206163652 /nfs/dbraw/zinc/16/36/52/1206163652.db2.gz KGZXOVOHAYKFBO-QCSYZSNVSA-N 2 0 337.895 2.429 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000925887665 1206163803 /nfs/dbraw/zinc/16/38/03/1206163803.db2.gz JJKWJMGMJNUKCU-ZAAXVRCTSA-N 2 0 348.454 2.372 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925917868 1206167988 /nfs/dbraw/zinc/16/79/88/1206167988.db2.gz XOXQMYCEAADXPA-WMZOPIPTSA-N 2 0 347.507 2.200 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000926202433 1206204084 /nfs/dbraw/zinc/20/40/84/1206204084.db2.gz LSVZVGRFUSFWQW-IAGOWNOFSA-N 2 0 333.524 2.360 10 0 EEAERP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CN4C[C@@H]3CCC4)cc2)CC1 ZINC000926378613 1206217194 /nfs/dbraw/zinc/21/71/94/1206217194.db2.gz PUYOIEQTWPSILS-PXNSSMCTSA-N 2 0 329.488 2.343 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000926786108 1206242378 /nfs/dbraw/zinc/24/23/78/1206242378.db2.gz BIPMJDAHTVPPAD-BYICEURKSA-N 2 0 332.517 2.065 10 0 EEAERP CN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000927289770 1206250864 /nfs/dbraw/zinc/25/08/64/1206250864.db2.gz VITZUTZWRGUGMF-RMXPPQQLSA-N 2 0 334.508 2.272 10 0 EEAERP COC(=O)CC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857182 1206587956 /nfs/dbraw/zinc/58/79/56/1206587956.db2.gz BPMAXSBKUQIEJL-IYBDPMFKSA-N 2 0 334.460 2.291 10 0 EEAERP CCOC(=O)c1c[nH]nc1[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000931009022 1206599203 /nfs/dbraw/zinc/59/92/03/1206599203.db2.gz YGHUJKWZZSGTTR-GJZGRUSLSA-N 2 0 334.464 2.250 10 0 EEAERP COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931074437 1206605004 /nfs/dbraw/zinc/60/50/04/1206605004.db2.gz FJBMHUHCZZMXDU-YESZJQIVSA-N 2 0 326.481 2.008 10 0 EEAERP CCn1ccnc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718012136 1211701457 /nfs/dbraw/zinc/70/14/57/1211701457.db2.gz TTWQQIMMBMLHRN-UHFFFAOYSA-N 2 0 342.487 2.410 10 0 EEAERP C1CO[C@H]([C@H]2C[C@H](c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)CC[NH2+]2)C1 ZINC000900017247 1233977683 /nfs/dbraw/zinc/97/76/83/1233977683.db2.gz ZZJUAIOMAYTIGC-SQABHXLBSA-N 2 0 332.448 2.082 10 0 EEAERP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)CC[NH+](C)C ZINC001413100896 1234139246 /nfs/dbraw/zinc/13/92/46/1234139246.db2.gz IWURKRQOJOBACO-CQSZACIVSA-N 2 0 337.464 2.162 10 0 EEAERP C[NH+]1CCC(Nc2ccccc2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900511002 1234430135 /nfs/dbraw/zinc/43/01/35/1234430135.db2.gz CKEZENJDZCIMRP-UHFFFAOYSA-N 2 0 328.460 2.227 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001413271351 1235116531 /nfs/dbraw/zinc/11/65/31/1235116531.db2.gz CIOWVQDRGYQNJD-RTBURBONSA-N 2 0 341.499 2.499 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902957494 1239190811 /nfs/dbraw/zinc/19/08/11/1239190811.db2.gz IVXRAEVOHTYMGP-ZIFCJYIRSA-N 2 0 331.504 2.242 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000903444090 1240489007 /nfs/dbraw/zinc/48/90/07/1240489007.db2.gz PIYGDBKYGRXYLD-BMGDILEWSA-N 2 0 337.895 2.118 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)C1 ZINC000903463733 1240545701 /nfs/dbraw/zinc/54/57/01/1240545701.db2.gz KUJBFSLNMNXNKZ-UXLLHSPISA-N 2 0 337.489 2.020 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1coc(-c3cccs3)n1)C2 ZINC000903492873 1240658636 /nfs/dbraw/zinc/65/86/36/1240658636.db2.gz KBMPIRFCHQOEHY-JKDFXYPNSA-N 2 0 347.440 2.115 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903496099 1240669871 /nfs/dbraw/zinc/66/98/71/1240669871.db2.gz FOGDJDMPZSAOMW-BZUAXINKSA-N 2 0 346.475 2.257 10 0 EEAERP C([C@H]1CCC2(CCC2)CO1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506492 1240716428 /nfs/dbraw/zinc/71/64/28/1240716428.db2.gz VZDAXNNJHXAECG-CEXWTWQISA-N 2 0 333.520 2.236 10 0 EEAERP O=C(N1CCc2ccccc21)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562178 1240949496 /nfs/dbraw/zinc/94/94/96/1240949496.db2.gz GDQAOCHTPFTLQH-HDICACEKSA-N 2 0 340.471 2.070 10 0 EEAERP c1ccc(C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)cc1 ZINC000903722163 1241720474 /nfs/dbraw/zinc/72/04/74/1241720474.db2.gz IATADEXWXBIJJD-ZCNNSNEGSA-N 2 0 330.472 2.436 10 0 EEAERP COc1ccccc1[C@H]1CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897074 1242377872 /nfs/dbraw/zinc/37/78/72/1242377872.db2.gz YUJWHJNXYRFHIO-IRXDYDNUSA-N 2 0 342.487 2.344 10 0 EEAERP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)C12CCC2 ZINC000903899527 1242398846 /nfs/dbraw/zinc/39/88/46/1242398846.db2.gz SXUYYRNLIVJJHW-CGTJXYLNSA-N 2 0 334.508 2.125 10 0 EEAERP OC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000903939881 1242601863 /nfs/dbraw/zinc/60/18/63/1242601863.db2.gz PQOPNBRKUULBHH-OCVGTWLNSA-N 2 0 339.277 2.460 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(C)c3ncccc3c1)C2 ZINC000903977149 1242825939 /nfs/dbraw/zinc/82/59/39/1242825939.db2.gz KHNPCIUQONIPOG-QKLQHJQFSA-N 2 0 339.439 2.256 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001491080421 1258646038 /nfs/dbraw/zinc/64/60/38/1258646038.db2.gz NECXSQBSMNEQPH-IYBDPMFKSA-N 2 0 325.403 2.042 10 0 EEAERP CO[C@H](C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)C1CCCC1 ZINC001491361638 1259000701 /nfs/dbraw/zinc/00/07/01/1259000701.db2.gz SZEAFZGRHYFJHQ-DAWZGUTISA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCCCF)C2)C1)[NH+](C)C ZINC001671085752 1278408205 /nfs/dbraw/zinc/40/82/05/1278408205.db2.gz QUYHRHMUJKAPDV-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001671086618 1278410144 /nfs/dbraw/zinc/41/01/44/1278410144.db2.gz YPSWABXLEUNOPP-HXUWFJFHSA-N 2 0 344.503 2.238 10 0 EEAERP C[N@@H+]1CCCN(c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2)CC1 ZINC000851627345 1277689883 /nfs/dbraw/zinc/68/98/83/1277689883.db2.gz VZHXFXZLRHNOQS-UHFFFAOYSA-N 2 0 342.487 2.429 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc2ccccc2o1 ZINC001273910076 1289776373 /nfs/dbraw/zinc/77/63/73/1289776373.db2.gz MGUFYVDKCFKFIB-LAQIPUCWSA-N 2 0 327.428 2.289 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+]Cc1ccon1 ZINC001489068868 1290355690 /nfs/dbraw/zinc/35/56/90/1290355690.db2.gz AQQKYEFUBSUBTI-NVXWUHKLSA-N 2 0 336.480 2.123 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001489123722 1290387437 /nfs/dbraw/zinc/38/74/37/1290387437.db2.gz GNUAUBTVXCDTAE-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001489203387 1290446460 /nfs/dbraw/zinc/44/64/60/1290446460.db2.gz ZGDMRHTXFPFHSB-WSTZPKSXSA-N 2 0 341.499 2.406 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001489277055 1290502582 /nfs/dbraw/zinc/50/25/82/1290502582.db2.gz ZOSFGIPJPQCKGJ-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cc(F)ccc1C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001490251053 1291069023 /nfs/dbraw/zinc/06/90/23/1291069023.db2.gz VHVZLLLQEOYHOL-HNNXBMFYSA-N 2 0 335.467 2.414 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C[C@H](C)OC ZINC001490346667 1291165651 /nfs/dbraw/zinc/16/56/51/1291165651.db2.gz IQSIBLFEBYZANX-MAUKXSAKSA-N 2 0 345.503 2.062 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C[C@H](C)OC ZINC001490346670 1291166117 /nfs/dbraw/zinc/16/61/17/1291166117.db2.gz IQSIBLFEBYZANX-YJBOKZPZSA-N 2 0 345.503 2.062 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cnoc1C ZINC001490348687 1291168426 /nfs/dbraw/zinc/16/84/26/1291168426.db2.gz FQWJYKKDPNATNZ-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP c1c(C2CC[NH+](C[C@H]3C[C@]34CCOC4)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000886841099 1296774416 /nfs/dbraw/zinc/77/44/16/1296774416.db2.gz BXWOSSXGIVVREY-XLIONFOSSA-N 2 0 344.503 2.483 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001491171039 1299651550 /nfs/dbraw/zinc/65/15/50/1299651550.db2.gz SWZGNNXSBHULNE-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001277014223 1300830645 /nfs/dbraw/zinc/83/06/45/1300830645.db2.gz MLZOATGPGDKNTF-WKILWMFISA-N 2 0 341.459 2.411 10 0 EEAERP Cc1ccc(OCCC[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001491548059 1301394868 /nfs/dbraw/zinc/39/48/68/1301394868.db2.gz NZSSXODWYYDUSI-PKOBYXMFSA-N 2 0 347.503 2.261 10 0 EEAERP C[N@H+](CCCCCF)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001277397742 1302848601 /nfs/dbraw/zinc/84/86/01/1302848601.db2.gz UYAOQIRXRBVQMK-SFHVURJKSA-N 2 0 339.499 2.391 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](NCC(F)(F)C(F)F)C[C@H]1C ZINC001277777982 1304395071 /nfs/dbraw/zinc/39/50/71/1304395071.db2.gz YOCXITYEJGFIEX-VXGBXAGGSA-N 2 0 341.393 2.198 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001277785468 1304482869 /nfs/dbraw/zinc/48/28/69/1304482869.db2.gz JSWSYBHLTUQMQN-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cn2)CC1 ZINC000796694932 1304568070 /nfs/dbraw/zinc/56/80/70/1304568070.db2.gz MDDZEDHIBWOPTR-QGZVFWFLSA-N 2 0 340.475 2.114 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001277917136 1305088861 /nfs/dbraw/zinc/08/88/61/1305088861.db2.gz PONCGRPNHZGMMA-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1c(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)ccc2c[nH+]cn21 ZINC001278253594 1308917875 /nfs/dbraw/zinc/91/78/75/1308917875.db2.gz XEFXHDLTLIMXTD-QGZVFWFLSA-N 2 0 332.423 2.490 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001278302524 1309183788 /nfs/dbraw/zinc/18/37/88/1309183788.db2.gz ZGMJIHINTYHVQH-IAGOWNOFSA-N 2 0 341.540 2.358 10 0 EEAERP COc1c(C)cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000841069929 1315467380 /nfs/dbraw/zinc/46/73/80/1315467380.db2.gz GDXLOXBBYDQIQS-OAHLLOKOSA-N 2 0 345.409 2.238 10 0 EEAERP [NH3+]CCOc1cccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000841279630 1315519226 /nfs/dbraw/zinc/51/92/26/1315519226.db2.gz UPTJYMKFJZVGMF-UHFFFAOYSA-N 2 0 332.448 2.163 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841755189 1315608873 /nfs/dbraw/zinc/60/88/73/1315608873.db2.gz XNRUDBTUFXCNKP-QAPCUYQASA-N 2 0 336.524 2.328 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001278585783 1317279564 /nfs/dbraw/zinc/27/95/64/1317279564.db2.gz OCCLZJNJRCQEKE-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001278704884 1317803519 /nfs/dbraw/zinc/80/35/19/1317803519.db2.gz UINBTSOIKXZKMD-UONOGXRCSA-N 2 0 337.430 2.355 10 0 EEAERP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001264189981 1322657707 /nfs/dbraw/zinc/65/77/07/1322657707.db2.gz QXLWOBKKNXRHCF-INIZCTEOSA-N 2 0 338.521 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001264683790 1322782478 /nfs/dbraw/zinc/78/24/78/1322782478.db2.gz MASPXKJJAKTHSF-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCOC)C1 ZINC001264685591 1322783876 /nfs/dbraw/zinc/78/38/76/1322783876.db2.gz LYBWBABCHMLPEK-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088756 1322914517 /nfs/dbraw/zinc/91/45/17/1322914517.db2.gz FSSCUZYWKCNWMI-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001265287877 1323038633 /nfs/dbraw/zinc/03/86/33/1323038633.db2.gz JKISLISGROXGQU-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001265507517 1323187171 /nfs/dbraw/zinc/18/71/71/1323187171.db2.gz MIEOAIZJLXRRBL-JJBMODOWSA-N 2 0 327.472 2.423 10 0 EEAERP C[C@@H](c1nc2ccccc2o1)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974536 1323534653 /nfs/dbraw/zinc/53/46/53/1323534653.db2.gz RHKMQGUOKMFHOF-HNNXBMFYSA-N 2 0 344.459 2.423 10 0 EEAERP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001266103467 1323667402 /nfs/dbraw/zinc/66/74/02/1323667402.db2.gz RDDVIQUWGSTHGQ-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001280043613 1324067239 /nfs/dbraw/zinc/06/72/39/1324067239.db2.gz ZTVUOJWTJHDYPW-DLBZAZTESA-N 2 0 348.491 2.184 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001280297122 1324147884 /nfs/dbraw/zinc/14/78/84/1324147884.db2.gz QWYNFUDTVWGISV-KRWDZBQOSA-N 2 0 347.478 2.292 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001280458117 1324236244 /nfs/dbraw/zinc/23/62/44/1324236244.db2.gz OVEXZCBRJZSFLX-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP O=C(N[C@H]1CCC[N@@H+](CCCCCF)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001280732681 1324453137 /nfs/dbraw/zinc/45/31/37/1324453137.db2.gz DHXZAYQMJZSKJF-ROUUACIJSA-N 2 0 339.499 2.439 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCc1ccccc1)C1CC1)C12CCC[NH+]1CCC2 ZINC001276619268 1324819165 /nfs/dbraw/zinc/81/91/65/1324819165.db2.gz VGDGLWNYTSDUOF-IBGZPJMESA-N 2 0 341.499 2.342 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283190378 1325950112 /nfs/dbraw/zinc/95/01/12/1325950112.db2.gz DGOYRGOSJCGBNJ-DYVFJYSZSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001316624866 1325961060 /nfs/dbraw/zinc/96/10/60/1325961060.db2.gz PDYAGWAQBOLLEH-GASCZTMLSA-N 2 0 338.883 2.060 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOC2CCC2)C1 ZINC001284770381 1326704987 /nfs/dbraw/zinc/70/49/87/1326704987.db2.gz BXZLVTGSDYMBAX-HTWSVDAQSA-N 2 0 337.508 2.009 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1F)C12CCC[NH+]1CCC2 ZINC001285004939 1326823107 /nfs/dbraw/zinc/82/31/07/1326823107.db2.gz QXCNHBZBSANGTQ-UHFFFAOYSA-N 2 0 337.414 2.129 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001491603449 1330200631 /nfs/dbraw/zinc/20/06/31/1330200631.db2.gz TZYQWRDSFSMGQL-WMZOPIPTSA-N 2 0 332.492 2.247 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001491893605 1330293037 /nfs/dbraw/zinc/29/30/37/1330293037.db2.gz FYUJQLPOVMXLIH-DLBZAZTESA-N 2 0 336.455 2.080 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CCOC1CCC1)C12CC[NH+](CC1)C2 ZINC001492175773 1331053557 /nfs/dbraw/zinc/05/35/57/1331053557.db2.gz LBVHGXMSZDDUJK-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CCCOC)CC2)[NH+](C)C ZINC001316672188 1331164700 /nfs/dbraw/zinc/16/47/00/1331164700.db2.gz ZQLJZTYXDHUGPC-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2c(C)nsc2C)C1 ZINC001493254985 1331185528 /nfs/dbraw/zinc/18/55/28/1331185528.db2.gz ZYKPLKDTDMFRKI-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001316856757 1331507837 /nfs/dbraw/zinc/50/78/37/1331507837.db2.gz LIULYEBXRUHVSD-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001316698466 1331750379 /nfs/dbraw/zinc/75/03/79/1331750379.db2.gz HOAXTBWHARPNRF-IUGOHOIBSA-N 2 0 327.900 2.296 10 0 EEAERP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865303 1331773620 /nfs/dbraw/zinc/77/36/20/1331773620.db2.gz IMJTWKIWOPSUJT-UONOGXRCSA-N 2 0 339.430 2.416 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001316769108 1331828012 /nfs/dbraw/zinc/82/80/12/1331828012.db2.gz FNFKCFGINNITQK-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316860004 1331938350 /nfs/dbraw/zinc/93/83/50/1331938350.db2.gz SQOIASRIMYGWCE-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ocnc1C ZINC001316899202 1331965202 /nfs/dbraw/zinc/96/52/02/1331965202.db2.gz IQIFAHQLFDPJCO-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)C2CC[NH+](C)CC2)C2CC2)c1 ZINC001316921476 1331987971 /nfs/dbraw/zinc/98/79/71/1331987971.db2.gz CTDIXQQODYWHCQ-UHFFFAOYSA-N 2 0 344.503 2.203 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001317146359 1332098966 /nfs/dbraw/zinc/09/89/66/1332098966.db2.gz IWSVFJPNRKUHCS-LPHOPBHVSA-N 2 0 347.478 2.291 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317437793 1332241455 /nfs/dbraw/zinc/24/14/55/1332241455.db2.gz XKYVYKYLOHVZEA-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cccc3cccnc32)C1 ZINC001317625559 1332334774 /nfs/dbraw/zinc/33/47/74/1332334774.db2.gz GOWHVLOAKVBWTF-MRXNPFEDSA-N 2 0 340.471 2.125 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C/C=C/c1ccccc1 ZINC001319237640 1332669258 /nfs/dbraw/zinc/66/92/58/1332669258.db2.gz GASVFCRBFDIACX-NADMHLTPSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319541546 1332718411 /nfs/dbraw/zinc/71/84/11/1332718411.db2.gz VIRFZPHXSMPJQG-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319572752 1332722979 /nfs/dbraw/zinc/72/29/79/1332722979.db2.gz DJESWZSDVOONIQ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC001319769599 1332763538 /nfs/dbraw/zinc/76/35/38/1332763538.db2.gz MMIAPQQFKRDIBB-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1c(C(=O)NC[C@H]([NH2+]CCC[C@@H](C)O)C(C)C)ccc2c[nH+]cn21 ZINC001319922998 1332798197 /nfs/dbraw/zinc/79/81/97/1332798197.db2.gz VITOTCPCUPSDAK-KDOFPFPSSA-N 2 0 346.475 2.148 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cscn1 ZINC001320473792 1332891736 /nfs/dbraw/zinc/89/17/36/1332891736.db2.gz JKQSYOFCHHBQAL-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001320758126 1332947105 /nfs/dbraw/zinc/94/71/05/1332947105.db2.gz CAOBXCXIEAWBQW-ZIAGYGMSSA-N 2 0 347.488 2.225 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)cn2)CC1 ZINC001321315642 1333072321 /nfs/dbraw/zinc/07/23/21/1333072321.db2.gz PCMOHZSSWLWQJL-ARJAWSKDSA-N 2 0 348.466 2.103 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001321418049 1333100028 /nfs/dbraw/zinc/10/00/28/1333100028.db2.gz XPKDESBZFZXJNA-SSGMOAHOSA-N 2 0 333.451 2.461 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1F ZINC001321532775 1333119885 /nfs/dbraw/zinc/11/98/85/1333119885.db2.gz PCUJTUZIKDYTIG-CRAIPNDOSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)c1sccc1C[NH+](C)C ZINC001321867059 1333170648 /nfs/dbraw/zinc/17/06/48/1333170648.db2.gz PLIRXPGBRYTTTO-ZFWWWQNUSA-N 2 0 339.505 2.087 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCCC(F)(F)F)CC2)C1 ZINC001323592823 1333494677 /nfs/dbraw/zinc/49/46/77/1333494677.db2.gz XIFIJHLEUJZBKH-CYBMUJFWSA-N 2 0 335.414 2.299 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC001324410554 1333677204 /nfs/dbraw/zinc/67/72/04/1333677204.db2.gz RHMJPBDRGIFLTH-MSOLQXFVSA-N 2 0 348.466 2.356 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001325029368 1333814396 /nfs/dbraw/zinc/81/43/96/1333814396.db2.gz UJNXKMHQFACFJX-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001325457483 1333889933 /nfs/dbraw/zinc/88/99/33/1333889933.db2.gz SFIGTFRFPMCYHB-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001326843332 1334168371 /nfs/dbraw/zinc/16/83/71/1334168371.db2.gz LGLHMXGOMYEXGD-FUHWJXTLSA-N 2 0 349.519 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCOCC)CC1 ZINC001327128359 1334229306 /nfs/dbraw/zinc/22/93/06/1334229306.db2.gz BAEJVGKQBBBYBS-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327542250 1334312131 /nfs/dbraw/zinc/31/21/31/1334312131.db2.gz UDYOJFPRWKIDBR-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001327981894 1334373473 /nfs/dbraw/zinc/37/34/73/1334373473.db2.gz JDTHXCIKYBTLPY-UHFFFAOYSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001329969235 1334751065 /nfs/dbraw/zinc/75/10/65/1334751065.db2.gz AOTQPCUFCGMWRI-TZMCWYRMSA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001332029292 1335709519 /nfs/dbraw/zinc/70/95/19/1335709519.db2.gz FFPUEYFDGJMOHM-QFBILLFUSA-N 2 0 347.503 2.366 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001332051574 1335714731 /nfs/dbraw/zinc/71/47/31/1335714731.db2.gz SMFPQFINNWSTMR-CZUORRHYSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001333139692 1335969771 /nfs/dbraw/zinc/96/97/71/1335969771.db2.gz ADHFSHRGWIMHMI-UHFFFAOYSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001479909923 1337555112 /nfs/dbraw/zinc/55/51/12/1337555112.db2.gz YJCKPDNLILIEKV-WMZOPIPTSA-N 2 0 333.451 2.345 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(Cc2c[nH]c(=O)c3ccccc23)CCO1 ZINC001414018715 1339120270 /nfs/dbraw/zinc/12/02/70/1339120270.db2.gz VJWHLYUJSUPVON-INIZCTEOSA-N 2 0 329.444 2.483 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCCCC(F)(F)F)C2)C1 ZINC001665332047 1355293721 /nfs/dbraw/zinc/29/37/21/1355293721.db2.gz BYGPJTAONLAAND-CYBMUJFWSA-N 2 0 335.414 2.109 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC001433867743 1341708743 /nfs/dbraw/zinc/70/87/43/1341708743.db2.gz ZIPGBRMAWDVZQK-UHFFFAOYSA-N 2 0 329.488 2.491 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001434824692 1341953199 /nfs/dbraw/zinc/95/31/99/1341953199.db2.gz SNXYESOYHOBDCJ-MOPGFXCFSA-N 2 0 344.503 2.435 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001436348067 1342043847 /nfs/dbraw/zinc/04/38/47/1342043847.db2.gz MJQPTSBMESNVSU-IYBDPMFKSA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001436384622 1342063862 /nfs/dbraw/zinc/06/38/62/1342063862.db2.gz YKRBLKUFQPIPFP-QAETUUGQSA-N 2 0 327.488 2.339 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001500347545 1342175980 /nfs/dbraw/zinc/17/59/80/1342175980.db2.gz ICBRYCRKKDCLKQ-SQWLQELKSA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001673343236 1356670230 /nfs/dbraw/zinc/67/02/30/1356670230.db2.gz VXPPYAVPWNEJIR-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001566949432 1342657779 /nfs/dbraw/zinc/65/77/79/1342657779.db2.gz QCRGBJAAGWZTCF-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)c2ccc3c[nH+]cn3c2C)s1 ZINC001567027972 1342683407 /nfs/dbraw/zinc/68/34/07/1342683407.db2.gz DVMFHNQJHXNTTA-LLVKDONJSA-N 2 0 343.456 2.316 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001569810623 1342949328 /nfs/dbraw/zinc/94/93/28/1342949328.db2.gz ITDZTHOGFPVWES-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569915980 1342976129 /nfs/dbraw/zinc/97/61/29/1342976129.db2.gz WERFVBKICUKSPP-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)sc1C ZINC001569999441 1342994584 /nfs/dbraw/zinc/99/45/84/1342994584.db2.gz AAGCLHXERBKGGF-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H]1CCCCO1 ZINC001570543852 1343080638 /nfs/dbraw/zinc/08/06/38/1343080638.db2.gz OGBWDEMEGBCJIH-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001571544444 1343233843 /nfs/dbraw/zinc/23/38/43/1343233843.db2.gz NYFJZULMWSZBKG-BGZICUSFSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677262712 1357303363 /nfs/dbraw/zinc/30/33/63/1357303363.db2.gz BUQIWUFBUAFDLO-MRXNPFEDSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(F)cc1 ZINC001647113800 1353148768 /nfs/dbraw/zinc/14/87/68/1353148768.db2.gz CKNOVJLFLCEGCB-NJAFHUGGSA-N 2 0 346.450 2.107 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC=C(Cl)Cl)CC[N@@H+]1C ZINC001649446749 1353509956 /nfs/dbraw/zinc/50/99/56/1353509956.db2.gz GUOPNIJYOAOBLZ-RWMBFGLXSA-N 2 0 336.307 2.378 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC001649465963 1353520893 /nfs/dbraw/zinc/52/08/93/1353520893.db2.gz YMUNJUDARFQPTH-QAPCUYQASA-N 2 0 335.467 2.147 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)no1 ZINC001656453531 1354239592 /nfs/dbraw/zinc/23/95/92/1354239592.db2.gz NJMHQJYOPSBHKZ-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001656862961 1354287174 /nfs/dbraw/zinc/28/71/74/1354287174.db2.gz DIESZVSANSMNOK-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1csc(Cl)n1 ZINC001660194376 1354413609 /nfs/dbraw/zinc/41/36/09/1354413609.db2.gz FOGKAUCMDHAFIK-CYBMUJFWSA-N 2 0 344.912 2.219 10 0 EEAERP Cc1ccc(CC[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001660195457 1354414411 /nfs/dbraw/zinc/41/44/11/1354414411.db2.gz QGQOFKUDAVBPDS-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](Cc1ccccn1)CC2 ZINC001661079347 1354587829 /nfs/dbraw/zinc/58/78/29/1354587829.db2.gz XREQKBOHIISEBI-SFHVURJKSA-N 2 0 344.503 2.284 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCOc3ccccc3)C2)CCC1 ZINC001661434819 1354638477 /nfs/dbraw/zinc/63/84/77/1354638477.db2.gz AGJJKXQBPFSUSP-QAQDUYKDSA-N 2 0 345.487 2.177 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001661436800 1354638737 /nfs/dbraw/zinc/63/87/37/1354638737.db2.gz PNZTZKAZSNSAJW-CADBVGFASA-N 2 0 349.519 2.057 10 0 EEAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC(C)C)[NH+](C)C ZINC001661537787 1354651445 /nfs/dbraw/zinc/65/14/45/1354651445.db2.gz IPATWGHBJLZCRT-FBVQUNGASA-N 2 0 339.524 2.253 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@H]2CCCC[C@@H]2C)C1 ZINC001661690874 1354673304 /nfs/dbraw/zinc/67/33/04/1354673304.db2.gz WRJZHKVLRQMFGN-FJIDUMEYSA-N 2 0 339.524 2.159 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001661818124 1354702212 /nfs/dbraw/zinc/70/22/12/1354702212.db2.gz JBFXBAQFRYSNEH-MJGOQNOKSA-N 2 0 347.503 2.234 10 0 EEAERP COCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001662134358 1354753561 /nfs/dbraw/zinc/75/35/61/1354753561.db2.gz CCBLLOVLHNHPTK-UHFFFAOYSA-N 2 0 339.524 2.160 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1C ZINC001662425256 1354795274 /nfs/dbraw/zinc/79/52/74/1354795274.db2.gz QXZSAFVJARMSRV-ROUUACIJSA-N 2 0 347.503 2.343 10 0 EEAERP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001662839859 1354861499 /nfs/dbraw/zinc/86/14/99/1354861499.db2.gz XJJOIWCTQNIHSW-ZWKOTPCHSA-N 2 0 339.499 2.391 10 0 EEAERP CN1CCO[C@@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001663039474 1354900137 /nfs/dbraw/zinc/90/01/37/1354900137.db2.gz LPGJLHYNZYBDST-RBUKOAKNSA-N 2 0 349.519 2.178 10 0 EEAERP C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001663124065 1354924321 /nfs/dbraw/zinc/92/43/21/1354924321.db2.gz QBDOFDJHBQOGTC-VQIMIIECSA-N 2 0 347.503 2.103 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)cn1 ZINC001666318928 1355508259 /nfs/dbraw/zinc/50/82/59/1355508259.db2.gz SBRVUZYDIRFCLL-QAQDUYKDSA-N 2 0 347.507 2.034 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001666476042 1355530758 /nfs/dbraw/zinc/53/07/58/1355530758.db2.gz CFTXFOPTZFBIQI-QWHCGFSZSA-N 2 0 334.291 2.228 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCc1ccccc1F ZINC001666563445 1355545575 /nfs/dbraw/zinc/54/55/75/1355545575.db2.gz OBHBKTTXYZREAA-HNNXBMFYSA-N 2 0 335.467 2.194 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001667284048 1355698405 /nfs/dbraw/zinc/69/84/05/1355698405.db2.gz BZOYUPPUHAZDFF-RDJZCZTQSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112409 1355874129 /nfs/dbraw/zinc/87/41/29/1355874129.db2.gz FCEKHBMRYPMLES-MLGOLLRUSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274043 1355913493 /nfs/dbraw/zinc/91/34/93/1355913493.db2.gz NEKUKVWUAIBMAU-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001668319761 1355922739 /nfs/dbraw/zinc/92/27/39/1355922739.db2.gz KGBFIHFRRNKKEJ-LBPRGKRZSA-N 2 0 326.510 2.085 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)C[N@H+](C)C1CCC1 ZINC001668453175 1355944107 /nfs/dbraw/zinc/94/41/07/1355944107.db2.gz NHZRBYODRNZWLP-UHFFFAOYSA-N 2 0 332.492 2.121 10 0 EEAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1)C1CCC1 ZINC001668865547 1356028521 /nfs/dbraw/zinc/02/85/21/1356028521.db2.gz ZUONBPSRAKXVBN-NSCUHMNNSA-N 2 0 337.414 2.211 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001669118549 1356098899 /nfs/dbraw/zinc/09/88/99/1356098899.db2.gz NSGMDRBSSVWSFM-ARJAWSKDSA-N 2 0 343.462 2.414 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001669201133 1356122835 /nfs/dbraw/zinc/12/28/35/1356122835.db2.gz MNVWTJMQARIGTL-XXCOWLKOSA-N 2 0 329.488 2.364 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1F)C(=O)C[N@H+](C)C1CCC1 ZINC001670128031 1356280693 /nfs/dbraw/zinc/28/06/93/1356280693.db2.gz WHFBUPCVJSBBKD-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001670312540 1356316849 /nfs/dbraw/zinc/31/68/49/1356316849.db2.gz KCDQTCKKCBQWQT-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CCc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001672176632 1356473878 /nfs/dbraw/zinc/47/38/78/1356473878.db2.gz LVJDIBJUCFSNLW-MSOLQXFVSA-N 2 0 335.467 2.450 10 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2 0 331.254 2.301 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccnn3C3CCC3)ccn2)CC1 ZINC000921540311 789135977 /nfs/dbraw/zinc/13/59/77/789135977.db2.gz QWEXUXGPSWXEAL-UHFFFAOYSA-N 2 0 340.475 2.045 10 0 EEAERP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495546 789652626 /nfs/dbraw/zinc/65/26/26/789652626.db2.gz CDQJDXHGGWPWRS-ILXRZTDVSA-N 2 0 326.444 2.479 10 0 EEAERP C[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923496215 789653962 /nfs/dbraw/zinc/65/39/62/789653962.db2.gz HOTMLRGDHYHRTF-WMZOPIPTSA-N 2 0 342.491 2.427 10 0 EEAERP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923497146 789671612 /nfs/dbraw/zinc/67/16/12/789671612.db2.gz FRPAYISZFSEXCN-AOIWGVFYSA-N 2 0 347.503 2.187 10 0 EEAERP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923498244 789675959 /nfs/dbraw/zinc/67/59/59/789675959.db2.gz KGDRTYUWAXHYSE-AEFFLSMTSA-N 2 0 347.503 2.049 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923511162 789698163 /nfs/dbraw/zinc/69/81/63/789698163.db2.gz ZXKKEKFWTGCAOJ-NWDGAFQWSA-N 2 0 340.265 2.304 10 0 EEAERP CC1(C(=O)NC23CC[NH+](CC2)C3)CC[NH+](Cc2ccccc2)CC1 ZINC000913633076 794012677 /nfs/dbraw/zinc/01/26/77/794012677.db2.gz LBYZUGADIGVEMH-UHFFFAOYSA-N 2 0 327.472 2.253 10 0 EEAERP C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713271866 794560557 /nfs/dbraw/zinc/56/05/57/794560557.db2.gz ZFVXUDKOEDOUDI-ANSOJVFESA-N 2 0 327.472 2.141 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713350317 794562436 /nfs/dbraw/zinc/56/24/36/794562436.db2.gz GKRICDCEIKNPAF-XSYGEPLQSA-N 2 0 327.472 2.094 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000903464610 794845665 /nfs/dbraw/zinc/84/56/65/794845665.db2.gz UCNXHZZEEMHIRS-WMLDXEAASA-N 3 0 331.508 2.184 10 0 EEAERP CSCc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000921691192 795310165 /nfs/dbraw/zinc/31/01/65/795310165.db2.gz UBGICDLGDPIGTR-KRWDZBQOSA-N 2 0 335.517 2.227 10 0 EEAERP O[C@@]1(CNCc2ccnn2C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000921772118 795863815 /nfs/dbraw/zinc/86/38/15/795863815.db2.gz LCANYWTZRYGKPE-HXUWFJFHSA-N 2 0 340.471 2.335 10 0 EEAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726588 796448355 /nfs/dbraw/zinc/44/83/55/796448355.db2.gz DEGDMOOEHCELJE-UJCHZGTJSA-N 2 0 327.472 2.296 10 0 EEAERP CN(C)[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(F)(F)F ZINC000922750617 801801097 /nfs/dbraw/zinc/80/10/97/801801097.db2.gz COKKETLOOVONBV-AWEZNQCLSA-N 2 0 327.354 2.240 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806861784 812012121 /nfs/dbraw/zinc/01/21/21/812012121.db2.gz UUBNDTWBGWNIJV-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001436474706 1087940370 /nfs/dbraw/zinc/94/03/70/1087940370.db2.gz IKMQPOUUOWNLAX-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP O=C(N1CCCCC[C@@H]([NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001436480486 1087961333 /nfs/dbraw/zinc/96/13/33/1087961333.db2.gz UYDBNBBMNDOBCT-CQSZACIVSA-N 2 0 347.425 2.395 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001436503122 1088038890 /nfs/dbraw/zinc/03/88/90/1088038890.db2.gz ZWLLTXLHTRMFGR-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP COc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)c1C ZINC001436772826 1088315596 /nfs/dbraw/zinc/31/55/96/1088315596.db2.gz CTVPTHMTYWSMPR-MSOLQXFVSA-N 2 0 345.487 2.082 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001437131345 1089119828 /nfs/dbraw/zinc/11/98/28/1089119828.db2.gz ODOGZXNRRHZYIW-QRWLVFNGSA-N 2 0 341.499 2.111 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccncc1Cl ZINC001437205390 1089275590 /nfs/dbraw/zinc/27/55/90/1089275590.db2.gz WHVMYDYWWZPUPS-RDBSUJKOSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)s1 ZINC001437212870 1089291988 /nfs/dbraw/zinc/29/19/88/1089291988.db2.gz HGMJUJKAJPNUFF-CJNGLKHVSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1cccc(Cl)c1C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001437236743 1089338374 /nfs/dbraw/zinc/33/83/74/1089338374.db2.gz MUPQKMKQSZMUIC-CQSZACIVSA-N 2 0 335.879 2.339 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001437240637 1089348900 /nfs/dbraw/zinc/34/89/00/1089348900.db2.gz TZRYRYNGPZOHED-NWDGAFQWSA-N 2 0 329.897 2.338 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nocc2C)C1 ZINC001437401097 1089667784 /nfs/dbraw/zinc/66/77/84/1089667784.db2.gz WOIJIWLMJFZJAG-CVEARBPZSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001437568973 1090054682 /nfs/dbraw/zinc/05/46/82/1090054682.db2.gz DHGHKKGHLJSXGB-UHFFFAOYSA-N 2 0 334.508 2.402 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001437779136 1090361165 /nfs/dbraw/zinc/36/11/65/1090361165.db2.gz QWOHFOSHONZGHW-ZFWWWQNUSA-N 2 0 329.435 2.097 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437947734 1090543606 /nfs/dbraw/zinc/54/36/06/1090543606.db2.gz UNTRPABCZRQYIO-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1nccs1 ZINC001438326265 1090800514 /nfs/dbraw/zinc/80/05/14/1090800514.db2.gz LLIASHZDHCOUHH-LSDHHAIUSA-N 2 0 338.521 2.248 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001438370929 1090849260 /nfs/dbraw/zinc/84/92/60/1090849260.db2.gz GZJVLFRDZMHFJO-INIZCTEOSA-N 2 0 327.419 2.289 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001438377848 1090859656 /nfs/dbraw/zinc/85/96/56/1090859656.db2.gz RDNPFNODAORXHD-RDJZCZTQSA-N 2 0 336.480 2.096 10 0 EEAERP Cc1conc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001438415535 1090908661 /nfs/dbraw/zinc/90/86/61/1090908661.db2.gz QVHUURZWNWXMNQ-HKUYNNGSSA-N 2 0 348.491 2.230 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001438428485 1090925934 /nfs/dbraw/zinc/92/59/34/1090925934.db2.gz KFTAZJKJNWCOHE-GOSISDBHSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c(C)n1 ZINC001438499582 1090994922 /nfs/dbraw/zinc/99/49/22/1090994922.db2.gz PAONIUPHXMNYQP-AWEZNQCLSA-N 2 0 332.492 2.025 10 0 EEAERP O=C(NCC1([NH2+]CCC(F)(F)F)CCCC1)C12CC[NH+](CC1)C2 ZINC001438611832 1091100999 /nfs/dbraw/zinc/10/09/99/1091100999.db2.gz GCHLFRXALKSQGL-UHFFFAOYSA-N 2 0 333.398 2.053 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001438800278 1091406013 /nfs/dbraw/zinc/40/60/13/1091406013.db2.gz CTKATMBUWRQICC-SJORKVTESA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC(F)(F)C1 ZINC001438813477 1091431277 /nfs/dbraw/zinc/43/12/77/1091431277.db2.gz QCZWKJKPTYMNKR-YUELXQCFSA-N 2 0 331.451 2.102 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001438881550 1091525787 /nfs/dbraw/zinc/52/57/87/1091525787.db2.gz NCRJDUKCABOESA-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@H]3CN(C(=O)CC[NH+](C)C)CC[C@@H]32)c1 ZINC001438950127 1091639619 /nfs/dbraw/zinc/63/96/19/1091639619.db2.gz MALKGQLYEOCIAX-OALUTQOASA-N 2 0 329.488 2.370 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001439346693 1092053711 /nfs/dbraw/zinc/05/37/11/1092053711.db2.gz YHDBAMRNEWTZMI-CRAIPNDOSA-N 2 0 333.476 2.116 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439368991 1092100250 /nfs/dbraw/zinc/10/02/50/1092100250.db2.gz SDKWADNHHLQRFI-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1ccc(F)cc1 ZINC001439490584 1092308098 /nfs/dbraw/zinc/30/80/98/1092308098.db2.gz DMRHMHYNBRITHE-KSSFIOAISA-N 2 0 333.451 2.467 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1cccc(F)c1 ZINC001439490834 1092314800 /nfs/dbraw/zinc/31/48/00/1092314800.db2.gz FPNRQNQHZPCRAF-RDTXWAMCSA-N 2 0 333.451 2.467 10 0 EEAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCc1ccccc1)[NH+]1CCCC1 ZINC001439550899 1092424314 /nfs/dbraw/zinc/42/43/14/1092424314.db2.gz PDCCNFDABAMUEQ-GOSISDBHSA-N 2 0 329.488 2.294 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001439767146 1092726647 /nfs/dbraw/zinc/72/66/47/1092726647.db2.gz NCWAQYYJAFDCRQ-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1OC1CC1 ZINC001439782915 1092738773 /nfs/dbraw/zinc/73/87/73/1092738773.db2.gz LYTOCPOPWISZNS-KRWDZBQOSA-N 2 0 345.487 2.260 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439831985 1092823896 /nfs/dbraw/zinc/82/38/96/1092823896.db2.gz RUQGYZWEOJJNPA-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001439914505 1092989544 /nfs/dbraw/zinc/98/95/44/1092989544.db2.gz UBKYKKPZYCQZAY-HKUYNNGSSA-N 2 0 333.520 2.347 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001439919526 1092996629 /nfs/dbraw/zinc/99/66/29/1092996629.db2.gz DECWFNYKYRAXQH-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001440197186 1093266909 /nfs/dbraw/zinc/26/69/09/1093266909.db2.gz WTWDIXIKDIIQDE-FGTMMUONSA-N 2 0 339.524 2.063 10 0 EEAERP Cc1oncc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001440340236 1093485908 /nfs/dbraw/zinc/48/59/08/1093485908.db2.gz IOSMISWAWNWRMG-DLBZAZTESA-N 2 0 346.475 2.128 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)c(C)o1 ZINC001440393782 1093571705 /nfs/dbraw/zinc/57/17/05/1093571705.db2.gz ZRFYYANMVRALDE-JKSUJKDBSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](Cc1cccnc1)CC2 ZINC001440416928 1093610289 /nfs/dbraw/zinc/61/02/89/1093610289.db2.gz NIKIIDJWKQGLIT-KRWDZBQOSA-N 2 0 344.503 2.236 10 0 EEAERP CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001440422827 1093619107 /nfs/dbraw/zinc/61/91/07/1093619107.db2.gz TYNONDNOLJKBRN-QZTJIDSGSA-N 2 0 335.467 2.462 10 0 EEAERP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001440432031 1093635636 /nfs/dbraw/zinc/63/56/36/1093635636.db2.gz KGIDUPNICSJSDY-IEBWSBKVSA-N 2 0 346.519 2.319 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448602523 1093666405 /nfs/dbraw/zinc/66/64/05/1093666405.db2.gz IPFAKFFCCSWOQU-LPHOPBHVSA-N 2 0 344.503 2.058 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001448617377 1093684171 /nfs/dbraw/zinc/68/41/71/1093684171.db2.gz NVLNQHHHGSUASB-IBGZPJMESA-N 2 0 329.488 2.417 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001440464894 1093687347 /nfs/dbraw/zinc/68/73/47/1093687347.db2.gz KROOWUAYBBKHDS-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2oc(C)nc2C)[C@@H]1C ZINC001440491184 1093728171 /nfs/dbraw/zinc/72/81/71/1093728171.db2.gz VEWJFEKTBXZZDB-ZBFHGGJFSA-N 2 0 336.480 2.102 10 0 EEAERP CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001440531022 1093790704 /nfs/dbraw/zinc/79/07/04/1093790704.db2.gz MEFJTKXCYVPQHC-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]C/C=C\Cl ZINC001448729046 1093798788 /nfs/dbraw/zinc/79/87/88/1093798788.db2.gz SUXLKOFNWBQQQZ-ROPFJZTFSA-N 2 0 333.879 2.388 10 0 EEAERP CC(C)C[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC001440573720 1093842385 /nfs/dbraw/zinc/84/23/85/1093842385.db2.gz IFNHGECWCSFLEK-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001448787218 1093866210 /nfs/dbraw/zinc/86/62/10/1093866210.db2.gz PKOKKAQPVDICMD-JSGCOSHPSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001440826830 1094080063 /nfs/dbraw/zinc/08/00/63/1094080063.db2.gz CESQNNIOZPHNJI-KBPBESRZSA-N 2 0 336.480 2.086 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440970680 1094228079 /nfs/dbraw/zinc/22/80/79/1094228079.db2.gz NCBKCJLLCBOSPM-IAGOWNOFSA-N 2 0 346.519 2.031 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(CO)cc1)C(C)(C)C)[NH+](C)C ZINC001449311781 1094265375 /nfs/dbraw/zinc/26/53/75/1094265375.db2.gz SGSOTCCVGJQRBW-MSOLQXFVSA-N 2 0 349.519 2.140 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001441038190 1094333531 /nfs/dbraw/zinc/33/35/31/1094333531.db2.gz POWARZQRNSMZNH-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001449401127 1094382485 /nfs/dbraw/zinc/38/24/85/1094382485.db2.gz JZQUQJYWKYTZAN-MQBCKMQZSA-N 2 0 339.430 2.384 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2nccs2)CCCCC1 ZINC001441107098 1094416728 /nfs/dbraw/zinc/41/67/28/1094416728.db2.gz HJCFINBJTVDALY-CQSZACIVSA-N 2 0 336.505 2.146 10 0 EEAERP CO[C@H](C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001441207593 1094570735 /nfs/dbraw/zinc/57/07/35/1094570735.db2.gz LNXMHHMFCNDIGM-VQIMIIECSA-N 2 0 347.503 2.151 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001441227184 1094602133 /nfs/dbraw/zinc/60/21/33/1094602133.db2.gz QIFYQBLVFOJKQB-YPMHNXCESA-N 2 0 334.291 2.132 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001441295733 1094735259 /nfs/dbraw/zinc/73/52/59/1094735259.db2.gz DIKRIAKTTIUFLN-CADBVGFASA-N 2 0 333.520 2.345 10 0 EEAERP C[N@H+](C/C=C\Cl)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441303323 1094751225 /nfs/dbraw/zinc/75/12/25/1094751225.db2.gz RPBDBMIIQWBHHX-YFUKIHRRSA-N 2 0 325.884 2.005 10 0 EEAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1 ZINC001441437725 1095051151 /nfs/dbraw/zinc/05/11/51/1095051151.db2.gz UGBPKXYUCNAYFM-AYHJJNSGSA-N 2 0 345.487 2.129 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441438165 1095052257 /nfs/dbraw/zinc/05/22/57/1095052257.db2.gz XLEISZNTHMYRQJ-MOPGFXCFSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441497209 1095178115 /nfs/dbraw/zinc/17/81/15/1095178115.db2.gz OGPWTMLJBMOOFP-KSSFIOAISA-N 2 0 328.460 2.199 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001441854190 1095946592 /nfs/dbraw/zinc/94/65/92/1095946592.db2.gz FBBVOWOOITXFBP-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001442127576 1096366845 /nfs/dbraw/zinc/36/68/45/1096366845.db2.gz VUBJPLORVGDYME-QZTJIDSGSA-N 2 0 341.540 2.455 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001442206285 1096492029 /nfs/dbraw/zinc/49/20/29/1096492029.db2.gz ATQFTSUQAYATLU-LJQANCHMSA-N 2 0 331.504 2.494 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001442258609 1096560724 /nfs/dbraw/zinc/56/07/24/1096560724.db2.gz ORWGXVZZZLHMLX-CQSZACIVSA-N 2 0 348.491 2.152 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCc1ccccc1F ZINC001442294619 1096610865 /nfs/dbraw/zinc/61/08/65/1096610865.db2.gz LLJZBNBADWTKGX-JKSUJKDBSA-N 2 0 335.467 2.194 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCN(C)[C@H](C)c1cc(F)ccc1F ZINC001442620399 1096989565 /nfs/dbraw/zinc/98/95/65/1096989565.db2.gz NGPZWAUHTQZYDT-CYBMUJFWSA-N 2 0 327.419 2.414 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cccnc1C ZINC001442725847 1097099086 /nfs/dbraw/zinc/09/90/86/1097099086.db2.gz GTIKJZSKXNSNBY-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ccccc1OCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001442818964 1097205606 /nfs/dbraw/zinc/20/56/06/1097205606.db2.gz CHBKGIXVYDQXGK-SFHVURJKSA-N 2 0 345.487 2.050 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cncc(C)c1 ZINC001442953615 1097370529 /nfs/dbraw/zinc/37/05/29/1097370529.db2.gz WAVSUOMJCJEAPK-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1CN(Cc2cccc(F)c2Cl)C1 ZINC001443644979 1098141327 /nfs/dbraw/zinc/14/13/27/1098141327.db2.gz QAJXHJLMJXOJLR-UHFFFAOYSA-N 2 0 341.858 2.369 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC001443851331 1098370012 /nfs/dbraw/zinc/37/00/12/1098370012.db2.gz DXVCKYQYUZGTCN-OAHLLOKOSA-N 2 0 338.521 2.134 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(CO)cc1 ZINC001443916361 1098438346 /nfs/dbraw/zinc/43/83/46/1098438346.db2.gz LGPOAYTUHBMATK-RTBURBONSA-N 2 0 347.503 2.036 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[NH+](CC2CC2)C1 ZINC001479619215 1098645871 /nfs/dbraw/zinc/64/58/71/1098645871.db2.gz XNTJVISLMDSTMC-VJANTYMQSA-N 2 0 333.520 2.297 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001444135080 1098673039 /nfs/dbraw/zinc/67/30/39/1098673039.db2.gz QOJAESUBCHUBAN-HXUWFJFHSA-N 2 0 341.499 2.465 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001444140335 1098680457 /nfs/dbraw/zinc/68/04/57/1098680457.db2.gz NEKCRZVQBKKBGZ-IBGZPJMESA-N 2 0 332.492 2.105 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001479670228 1098718343 /nfs/dbraw/zinc/71/83/43/1098718343.db2.gz UAHYEIHQIAYQEX-VGRIIWOTSA-N 2 0 333.520 2.465 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1nc2ccccc2o1 ZINC001444330220 1098895339 /nfs/dbraw/zinc/89/53/39/1098895339.db2.gz WQOWTHJILITPLH-GOEBONIOSA-N 2 0 344.459 2.154 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1OC1CC1 ZINC001479789494 1098991829 /nfs/dbraw/zinc/99/18/29/1098991829.db2.gz QGHBZNACZRYTNA-GOSISDBHSA-N 2 0 345.487 2.260 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1cccc(F)c1)C1CC1 ZINC001479866042 1099192739 /nfs/dbraw/zinc/19/27/39/1099192739.db2.gz CEFXNFJSYFZTNC-SFHVURJKSA-N 2 0 333.451 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2nccs2)C1 ZINC001444669418 1099508966 /nfs/dbraw/zinc/50/89/66/1099508966.db2.gz HBAPYUVMXDIPJV-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444814168 1099740797 /nfs/dbraw/zinc/74/07/97/1099740797.db2.gz KZNVHKFOWTUCFG-OLZOCXBDSA-N 2 0 336.307 2.474 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480208194 1099815950 /nfs/dbraw/zinc/81/59/50/1099815950.db2.gz QPCYBTYPYDFQRN-MPTYRVRUSA-N 2 0 325.472 2.378 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001480218776 1099835520 /nfs/dbraw/zinc/83/55/20/1099835520.db2.gz VDAULTCXVDEUFJ-SCTDSRPQSA-N 2 0 345.487 2.095 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCCF)C1 ZINC001480257155 1099919729 /nfs/dbraw/zinc/91/97/29/1099919729.db2.gz KBGZIXGPLKKHGY-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001480294839 1100009002 /nfs/dbraw/zinc/00/90/02/1100009002.db2.gz QJZBRUWIVSEAIW-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC001480302099 1100021034 /nfs/dbraw/zinc/02/10/34/1100021034.db2.gz GDUVWDDVMMWNHL-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP COCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001445006750 1100147934 /nfs/dbraw/zinc/14/79/34/1100147934.db2.gz NGNGTPQUPMKQQL-LJQANCHMSA-N 2 0 347.503 2.208 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001480591629 1100440087 /nfs/dbraw/zinc/44/00/87/1100440087.db2.gz LTWOWZQUYWBZPI-KSSFIOAISA-N 2 0 333.451 2.393 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)C12CC[NH+](CC1)C2 ZINC001445332751 1100569470 /nfs/dbraw/zinc/56/94/70/1100569470.db2.gz YQWXICHYLLKDKF-HNNXBMFYSA-N 2 0 333.451 2.421 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496290617 1100874831 /nfs/dbraw/zinc/87/48/31/1100874831.db2.gz YNQYMEGLPZLCAL-QFBILLFUSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496413879 1101006884 /nfs/dbraw/zinc/00/68/84/1101006884.db2.gz JWHHYSDMJAFYAN-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001496415949 1101010130 /nfs/dbraw/zinc/01/01/30/1101010130.db2.gz RLZXOEOZBSPJTD-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001446550067 1101018654 /nfs/dbraw/zinc/01/86/54/1101018654.db2.gz GGDAZHVMWXJJEB-HXUWFJFHSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCOCC1)NC(=O)CC[NH+](C)C ZINC001495321105 1101026258 /nfs/dbraw/zinc/02/62/58/1101026258.db2.gz NTSMOMVAYHZHPP-LPHOPBHVSA-N 2 0 339.524 2.019 10 0 EEAERP COCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001495327156 1101034447 /nfs/dbraw/zinc/03/44/47/1101034447.db2.gz SVUWRHDIXHOBOG-IEBWSBKVSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CCC(F)(F)F)C2)CC1 ZINC001495380089 1101100127 /nfs/dbraw/zinc/10/01/27/1101100127.db2.gz PEOWVRHURIJBAM-AWEZNQCLSA-N 2 0 349.441 2.499 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(F)c2F)C1 ZINC001446614463 1101117148 /nfs/dbraw/zinc/11/71/48/1101117148.db2.gz QLTKZMKTFNEXLX-GOSISDBHSA-N 2 0 339.430 2.245 10 0 EEAERP COCc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001446620710 1101125597 /nfs/dbraw/zinc/12/55/97/1101125597.db2.gz WXLZFJIQHHSQIX-FQEVSTJZSA-N 2 0 347.503 2.113 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cnoc1C)C(C)C ZINC001496566284 1101167666 /nfs/dbraw/zinc/16/76/66/1101167666.db2.gz JUYYSOIYSOHQNO-IAGOWNOFSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001495473965 1101184645 /nfs/dbraw/zinc/18/46/45/1101184645.db2.gz TXSVLWZPIHEFJQ-ULQDDVLXSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1cccc(Cl)n1 ZINC001495682367 1101430178 /nfs/dbraw/zinc/43/01/78/1101430178.db2.gz DUHOHCOJJJTLIT-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2cncs2)C1 ZINC001495727866 1101491892 /nfs/dbraw/zinc/49/18/92/1101491892.db2.gz VFJAIOKQBWVWQP-LSDHHAIUSA-N 2 0 338.521 2.107 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cnc(C)o3)CCCC2)CC[N@@H+]1C ZINC001495914764 1101758290 /nfs/dbraw/zinc/75/82/90/1101758290.db2.gz KFTDEGKUSFADRR-DLBZAZTESA-N 2 0 348.491 2.232 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cnccc2C)C1 ZINC001497255280 1102199834 /nfs/dbraw/zinc/19/98/34/1102199834.db2.gz KTKBEGRADAWQBO-ROUUACIJSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497303420 1102284069 /nfs/dbraw/zinc/28/40/69/1102284069.db2.gz GTMYITINHQJOPP-FUHWJXTLSA-N 2 0 346.519 2.079 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3ccccn3)CCC2)C1 ZINC001447270954 1102352550 /nfs/dbraw/zinc/35/25/50/1102352550.db2.gz WSBUJKOZMSHPKN-SJLPKXTDSA-N 2 0 344.503 2.331 10 0 EEAERP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001497589218 1102708439 /nfs/dbraw/zinc/70/84/39/1102708439.db2.gz ZKSXCHAESHXLFS-LAQIPUCWSA-N 2 0 333.480 2.098 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497622174 1102763520 /nfs/dbraw/zinc/76/35/20/1102763520.db2.gz WIZOWEXZPLZLNG-HMECNJMJSA-N 2 0 344.503 2.272 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001447543244 1102825775 /nfs/dbraw/zinc/82/57/75/1102825775.db2.gz OAGNWDKJOQQBFU-WMLDXEAASA-N 2 0 337.895 2.271 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)c1 ZINC001494048633 1103425833 /nfs/dbraw/zinc/42/58/33/1103425833.db2.gz QQDCLQGAWBQIHP-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001447917325 1103591600 /nfs/dbraw/zinc/59/16/00/1103591600.db2.gz WZYZXYZVRDPVOM-MSOLQXFVSA-N 2 0 331.504 2.444 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001448211799 1104183652 /nfs/dbraw/zinc/18/36/52/1104183652.db2.gz QYJRVFGXXPROKY-IAGOWNOFSA-N 2 0 336.480 2.122 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1c(C)noc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448247335 1104241015 /nfs/dbraw/zinc/24/10/15/1104241015.db2.gz ISQFPNMQJVXDPR-WBVHZDCISA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001494981335 1104623902 /nfs/dbraw/zinc/62/39/02/1104623902.db2.gz OBECTMZYSFNOKI-CHWSQXEVSA-N 2 0 334.291 2.132 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc2ccccc2o1 ZINC001494982035 1104625458 /nfs/dbraw/zinc/62/54/58/1104625458.db2.gz AHGLYYYDNOJMRR-RBSFLKMASA-N 2 0 344.459 2.152 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1oc(C)nc1C ZINC001494984176 1104628761 /nfs/dbraw/zinc/62/87/61/1104628761.db2.gz DRLSJUBNXLFLAH-CVEARBPZSA-N 2 0 336.480 2.149 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001495094336 1104734523 /nfs/dbraw/zinc/73/45/23/1104734523.db2.gz OLEKTHGWJSMSES-VQIMIIECSA-N 2 0 345.487 2.043 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001480659224 1106833685 /nfs/dbraw/zinc/83/36/85/1106833685.db2.gz PGSMUFDOWOHXMV-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC001498098871 1106917177 /nfs/dbraw/zinc/91/71/77/1106917177.db2.gz DOGFHFNFYLREJS-HOCLYGCPSA-N 2 0 348.491 2.268 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)C[C@H]2CCCCO2)C1 ZINC001480738561 1107016777 /nfs/dbraw/zinc/01/67/77/1107016777.db2.gz GUPIKUYCPXEBLF-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001498197724 1107064638 /nfs/dbraw/zinc/06/46/38/1107064638.db2.gz VFDFIALFANSFEY-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001480777359 1107100312 /nfs/dbraw/zinc/10/03/12/1107100312.db2.gz VKEORGDYZIDQDW-SJLPKXTDSA-N 2 0 332.492 2.186 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001480829699 1107216346 /nfs/dbraw/zinc/21/63/46/1107216346.db2.gz DMPHUEIULUXQNU-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)Cc1ccc(Cl)nc1 ZINC001498427506 1107502907 /nfs/dbraw/zinc/50/29/07/1107502907.db2.gz HGQDPZCNNILBQY-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC(F)(F)F)[NH+]1CCCC1 ZINC001498456880 1107564438 /nfs/dbraw/zinc/56/44/38/1107564438.db2.gz QICUMWRJJWNZCR-UONOGXRCSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001498637897 1107863141 /nfs/dbraw/zinc/86/31/41/1107863141.db2.gz YJIJQSMBNYOEKZ-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1nccn1CC(=O)N(C)CCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001498653148 1107900946 /nfs/dbraw/zinc/90/09/46/1107900946.db2.gz JZYFWFDOJFBRAH-AWEZNQCLSA-N 2 0 328.407 2.065 10 0 EEAERP CN(CC[NH2+]CCCCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001493682270 1108499640 /nfs/dbraw/zinc/49/96/40/1108499640.db2.gz VTAFMNKRROKKAD-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(=O)CC[NH+](C)C ZINC001493682700 1108500756 /nfs/dbraw/zinc/50/07/56/1108500756.db2.gz YWGKSVCSJDHZRS-UHFFFAOYSA-N 2 0 332.275 2.493 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2sccc2Cl)C1 ZINC001493694869 1108522439 /nfs/dbraw/zinc/52/24/39/1108522439.db2.gz JZPNZUMHDXWAOD-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ncccn2)CC1 ZINC001493850405 1108733985 /nfs/dbraw/zinc/73/39/85/1108733985.db2.gz QDZKKZQSIMRRKN-JKSUJKDBSA-N 2 0 347.507 2.095 10 0 EEAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC001463877819 1110382607 /nfs/dbraw/zinc/38/26/07/1110382607.db2.gz REXIFHOLZMAAHJ-IBGZPJMESA-N 2 0 327.472 2.130 10 0 EEAERP CSC1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC001468637686 1110478016 /nfs/dbraw/zinc/47/80/16/1110478016.db2.gz LGDJCWCCRZNBIG-HUUCEWRRSA-N 2 0 327.538 2.050 10 0 EEAERP O=C(NCC[NH+]1CCC1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001471048043 1110516419 /nfs/dbraw/zinc/51/64/19/1110516419.db2.gz YNRKXVBTTIQKBZ-LJQANCHMSA-N 2 0 344.503 2.436 10 0 EEAERP CCc1ccc(CN2CCN(C(=O)NC[C@H]3CC[N@H+]3CC)CC2)cc1 ZINC001479176755 1110661297 /nfs/dbraw/zinc/66/12/97/1110661297.db2.gz PGHKISFRCXBPMP-LJQANCHMSA-N 2 0 344.503 2.170 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001479416530 1110694006 /nfs/dbraw/zinc/69/40/06/1110694006.db2.gz JUPUAYFDHMBVBS-SAABIXHNSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)sn1 ZINC001499264420 1112207371 /nfs/dbraw/zinc/20/73/71/1112207371.db2.gz YGVAQXYXRMGZNA-HOCLYGCPSA-N 2 0 348.516 2.207 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001500225478 1112686986 /nfs/dbraw/zinc/68/69/86/1112686986.db2.gz KPPPJYBAEFGCIH-TZMCWYRMSA-N 2 0 341.393 2.199 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001501091554 1113195684 /nfs/dbraw/zinc/19/56/84/1113195684.db2.gz OPOSRDTUIZXRCE-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001501133137 1113210282 /nfs/dbraw/zinc/21/02/82/1113210282.db2.gz SUMVKJRCPVBRSB-RDJZCZTQSA-N 2 0 335.467 2.352 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(F)(F)C1 ZINC001501170032 1113226532 /nfs/dbraw/zinc/22/65/32/1113226532.db2.gz LPFBWCNKKSNQOO-RBVVOMGSSA-N 2 0 343.462 2.343 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001501219202 1113248386 /nfs/dbraw/zinc/24/83/86/1113248386.db2.gz CSHXUWZVWMDFET-ZDASLFPMSA-N 2 0 331.504 2.075 10 0 EEAERP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)c1 ZINC001501230069 1113252653 /nfs/dbraw/zinc/25/26/53/1113252653.db2.gz RPCJUJSONSNNEN-KDURUIRLSA-N 2 0 329.488 2.145 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501395552 1113340501 /nfs/dbraw/zinc/34/05/01/1113340501.db2.gz NWXOGUJDGUFNLG-FOIPXRHGSA-N 2 0 333.520 2.440 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001501574457 1113387957 /nfs/dbraw/zinc/38/79/57/1113387957.db2.gz NIHRMNFMARABGR-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001501578653 1113389015 /nfs/dbraw/zinc/38/90/15/1113389015.db2.gz MGVLKPGWBXOZEU-MJGOQNOKSA-N 2 0 346.519 2.304 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC001501676137 1113428711 /nfs/dbraw/zinc/42/87/11/1113428711.db2.gz GYVMWQUJRIXIJI-APWZRJJASA-N 2 0 347.503 2.209 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001501741919 1113458090 /nfs/dbraw/zinc/45/80/90/1113458090.db2.gz IFPMVMODGBWEFY-UHFFFAOYSA-N 2 0 343.462 2.298 10 0 EEAERP C[C@H](F)CC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001501741781 1113458124 /nfs/dbraw/zinc/45/81/24/1113458124.db2.gz DGIMMPYJXUJJBW-HNNXBMFYSA-N 2 0 325.472 2.001 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001501989122 1113549273 /nfs/dbraw/zinc/54/92/73/1113549273.db2.gz UWKMAKYRHZJURK-UHFFFAOYSA-N 2 0 344.503 2.393 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CCC1 ZINC001501995837 1113551615 /nfs/dbraw/zinc/55/16/15/1113551615.db2.gz KKXFXOBQRJDMBA-LBPRGKRZSA-N 2 0 336.307 2.151 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001502008601 1113556787 /nfs/dbraw/zinc/55/67/87/1113556787.db2.gz NDKLDWGXOMDVJI-FUHWJXTLSA-N 2 0 349.519 2.201 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001502094581 1113584963 /nfs/dbraw/zinc/58/49/63/1113584963.db2.gz JWNPBQMVLCUCAP-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cnc(C)o1 ZINC001502400906 1113666774 /nfs/dbraw/zinc/66/67/74/1113666774.db2.gz DBJWOANHKDALMZ-KRWDZBQOSA-N 2 0 336.480 2.138 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C1CCCC1 ZINC001505444426 1113978859 /nfs/dbraw/zinc/97/88/59/1113978859.db2.gz AUMUJQFLOZTOBV-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001505537749 1114039365 /nfs/dbraw/zinc/03/93/65/1114039365.db2.gz KXWCSIHGVOFZKN-UHFFFAOYSA-N 2 0 348.491 2.152 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001505818462 1114212558 /nfs/dbraw/zinc/21/25/58/1114212558.db2.gz WRCSVAARRZZVJP-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1cncn1CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001505962835 1114303237 /nfs/dbraw/zinc/30/32/37/1114303237.db2.gz DKUIFIWEEWMDJK-AWEZNQCLSA-N 2 0 339.443 2.310 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001506483880 1114641595 /nfs/dbraw/zinc/64/15/95/1114641595.db2.gz AVOXQDWOTCRQIA-RTBURBONSA-N 2 0 346.519 2.304 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](CCC(C)(C)C)CCO2 ZINC001506727681 1114837726 /nfs/dbraw/zinc/83/77/26/1114837726.db2.gz XBLQHQMNRBCEGB-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001506828754 1114899054 /nfs/dbraw/zinc/89/90/54/1114899054.db2.gz PUZORKDBTHBKAU-LDLYASANSA-N 2 0 345.462 2.024 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCF)C[C@H]2C1 ZINC001506855284 1114919587 /nfs/dbraw/zinc/91/95/87/1114919587.db2.gz IDQOINSXLDQSRN-GVDBMIGSSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC001506856037 1114921390 /nfs/dbraw/zinc/92/13/90/1114921390.db2.gz NZFUUGGDERHYCQ-BPQIPLTHSA-N 2 0 347.478 2.494 10 0 EEAERP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001506896112 1114957452 /nfs/dbraw/zinc/95/74/52/1114957452.db2.gz IVSDUSLIIRANHL-YDHLFZDLSA-N 2 0 339.430 2.462 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)o1 ZINC001506905673 1114963322 /nfs/dbraw/zinc/96/33/22/1114963322.db2.gz AINWWFVQVIFASK-JFIYKMOQSA-N 2 0 348.491 2.088 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001507106206 1115111585 /nfs/dbraw/zinc/11/15/85/1115111585.db2.gz KGCHACRGEBTFKY-MRXNPFEDSA-N 2 0 349.523 2.275 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001507127866 1115122461 /nfs/dbraw/zinc/12/24/61/1115122461.db2.gz RZIOCCOTKRNOKR-HOTGVXAUSA-N 2 0 349.523 2.260 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507339214 1115202542 /nfs/dbraw/zinc/20/25/42/1115202542.db2.gz MMGNBDSPRLVKPM-VQIMIIECSA-N 2 0 347.503 2.366 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001507451776 1115277247 /nfs/dbraw/zinc/27/72/47/1115277247.db2.gz ZITQBHUVWXLKSO-SJORKVTESA-N 2 0 341.540 2.072 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCOCC1CC1)C(C)(C)C ZINC001507999643 1115386471 /nfs/dbraw/zinc/38/64/71/1115386471.db2.gz DTTPXENESPWDLU-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)s1 ZINC001508028244 1115392498 /nfs/dbraw/zinc/39/24/98/1115392498.db2.gz NUEFZNZEJHKCGS-KGLIPLIRSA-N 2 0 338.521 2.024 10 0 EEAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCCF)CC1 ZINC001508063770 1115408047 /nfs/dbraw/zinc/40/80/47/1115408047.db2.gz DVTKAKDZFRXZFI-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCOc1ccccc1 ZINC001567861186 1124143826 /nfs/dbraw/zinc/14/38/26/1124143826.db2.gz MJILTFCWEGOLDS-ROUUACIJSA-N 2 0 345.487 2.082 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001568057837 1124263956 /nfs/dbraw/zinc/26/39/56/1124263956.db2.gz YBOVMCLKUBNBCF-SOLBZPMBSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]Cc1ccon1 ZINC001568372330 1124443606 /nfs/dbraw/zinc/44/36/06/1124443606.db2.gz VMWFOSKWJYIPMD-WMZOPIPTSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001568645739 1124658133 /nfs/dbraw/zinc/65/81/33/1124658133.db2.gz KAZCHEYRWNVLGD-CQSZACIVSA-N 2 0 348.491 2.152 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568865664 1124890824 /nfs/dbraw/zinc/89/08/24/1124890824.db2.gz IQYUQPFMFILCKK-PTZVLDCSSA-N 2 0 338.521 2.108 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)c1C ZINC001568872966 1124899359 /nfs/dbraw/zinc/89/93/59/1124899359.db2.gz CSTWQTVFXVWIEE-OOFWQKGWSA-N 2 0 345.487 2.250 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568939526 1124971798 /nfs/dbraw/zinc/97/17/98/1124971798.db2.gz NIMZACYDMSYHNJ-NTRYVKHDSA-N 2 0 333.520 2.417 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1oc(C)nc1C ZINC001569208693 1125166109 /nfs/dbraw/zinc/16/61/09/1125166109.db2.gz PXMPOAQDDGKAAU-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP O=C(N[C@@H](C[NH2+]C/C=C\c1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001569326781 1125231561 /nfs/dbraw/zinc/23/15/61/1125231561.db2.gz BERAMTWPXGRWTF-OCTSTCLRSA-N 2 0 339.483 2.280 10 0 EEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000053994327 214210237 /nfs/dbraw/zinc/21/02/37/214210237.db2.gz ATROXRHABQUHPG-SFHVURJKSA-N 2 0 327.476 2.126 10 0 EEAERP COc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422726046 240196286 /nfs/dbraw/zinc/19/62/86/240196286.db2.gz ZCJHRQHFJXLRGY-KZNAEPCWSA-N 2 0 348.487 2.383 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422818474 240243651 /nfs/dbraw/zinc/24/36/51/240243651.db2.gz GJVVNAGCLKKXTC-CYBMUJFWSA-N 2 0 340.414 2.418 10 0 EEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000022178466 212280168 /nfs/dbraw/zinc/28/01/68/212280168.db2.gz LVHQJRKWLGTLHD-OAHLLOKOSA-N 2 0 326.282 2.477 10 0 EEAERP Cn1cncc1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000459350315 245088555 /nfs/dbraw/zinc/08/85/55/245088555.db2.gz KACZXUMISFTZAZ-UHFFFAOYSA-N 2 0 347.850 2.362 10 0 EEAERP CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000459310643 245073534 /nfs/dbraw/zinc/07/35/34/245073534.db2.gz VYQXQGKTNRYZGT-RUBXOHKTSA-N 2 0 348.535 2.373 10 0 EEAERP COc1c[nH+]ccc1N1CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000459521398 245152716 /nfs/dbraw/zinc/15/27/16/245152716.db2.gz HIDARSVBUUHUBY-UHFFFAOYSA-N 2 0 325.416 2.080 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424631759 285248837 /nfs/dbraw/zinc/24/88/37/285248837.db2.gz AXSKVYMDXZWALY-GVDBMIGSSA-N 2 0 327.488 2.389 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(F)(F)F ZINC000457519403 285279265 /nfs/dbraw/zinc/27/92/65/285279265.db2.gz FCQPQGCZNSOIQA-KBPBESRZSA-N 2 0 337.430 2.449 10 0 EEAERP CS[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H]1[NH+](C)C ZINC000270499581 256141821 /nfs/dbraw/zinc/14/18/21/256141821.db2.gz PLXCGZVCQHOUAR-ROUUACIJSA-N 2 0 347.528 2.400 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000347195264 285382239 /nfs/dbraw/zinc/38/22/39/285382239.db2.gz TVOGDBFPUBKHLF-HZPDHXFCSA-N 2 0 333.476 2.264 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000111470156 142361468 /nfs/dbraw/zinc/36/14/68/142361468.db2.gz BDTWIWHGBGTRAA-KRWDZBQOSA-N 2 0 345.491 2.224 10 0 EEAERP CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262424328 152279489 /nfs/dbraw/zinc/27/94/89/152279489.db2.gz SDIRVXLGYLHMFT-QXAKKESOSA-N 2 0 345.487 2.049 10 0 EEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000124317229 292288701 /nfs/dbraw/zinc/28/87/01/292288701.db2.gz YORPGJZCNOJGQP-LEOMRAHMSA-N 2 0 339.524 2.016 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000248846809 160364072 /nfs/dbraw/zinc/36/40/72/160364072.db2.gz OIYRCLJEINVMMP-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261535082 160399295 /nfs/dbraw/zinc/39/92/95/160399295.db2.gz GNFRBZDYARKUQW-LJQANCHMSA-N 2 0 329.488 2.499 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245463219 160237179 /nfs/dbraw/zinc/23/71/79/160237179.db2.gz ONMAGWXIHJHVFS-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706486 160249895 /nfs/dbraw/zinc/24/98/95/160249895.db2.gz MPAWOJQYDKOIMT-ZIBCJSCZSA-N 2 0 343.515 2.492 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)ccn2)CC1 ZINC000245954454 160258771 /nfs/dbraw/zinc/25/87/71/160258771.db2.gz XBCSLTSHYWZMDD-BHIYHBOVSA-N 2 0 344.503 2.127 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246172248 160265752 /nfs/dbraw/zinc/26/57/52/160265752.db2.gz LGOJLWJPWKIJFK-KURKYZTESA-N 2 0 336.524 2.375 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246548965 160284141 /nfs/dbraw/zinc/28/41/41/160284141.db2.gz YBDOXLLCNNOEHR-MOPGFXCFSA-N 2 0 344.503 2.039 10 0 EEAERP OC[C@H]([NH2+]C/C=C/C[NH2+][C@H](CO)c1ccsc1)c1ccsc1 ZINC000352019459 162031534 /nfs/dbraw/zinc/03/15/34/162031534.db2.gz FEOVTJHWKSGPOY-YVFUIXNUSA-N 2 0 338.498 2.312 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000352726695 162262276 /nfs/dbraw/zinc/26/22/76/162262276.db2.gz OXWXBSCSQRTTNK-UHFFFAOYSA-N 2 0 330.457 2.167 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355018257 163052873 /nfs/dbraw/zinc/05/28/73/163052873.db2.gz OTRMJUYWGIMODI-GOSISDBHSA-N 2 0 332.492 2.236 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000291324016 275294276 /nfs/dbraw/zinc/29/42/76/275294276.db2.gz QQFZHGBDHZLWHP-SJLPKXTDSA-N 2 0 334.508 2.187 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCC(C)CC1 ZINC000297325707 294213101 /nfs/dbraw/zinc/21/31/01/294213101.db2.gz SLNKFZDALRKCCO-HNNXBMFYSA-N 2 0 329.448 2.254 10 0 EEAERP Cc1ccccc1C(=O)NC1CC[NH+](CCc2cncn2C)CC1 ZINC000297865871 294360568 /nfs/dbraw/zinc/36/05/68/294360568.db2.gz PLGTUROHNBYNOJ-UHFFFAOYSA-N 2 0 326.444 2.165 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[N@@H+]1C1CC1 ZINC000246303700 297272710 /nfs/dbraw/zinc/27/27/10/297272710.db2.gz LUCMONANMCPZAJ-JFIYKMOQSA-N 2 0 334.508 2.272 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333916700 312213599 /nfs/dbraw/zinc/21/35/99/312213599.db2.gz NKOJBBLKNYHBFZ-IRXDYDNUSA-N 2 0 336.524 2.472 10 0 EEAERP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414938364 313112427 /nfs/dbraw/zinc/11/24/27/313112427.db2.gz IMDLYDNNPMWHKG-DAYGRLMNSA-N 2 0 343.471 2.429 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416785428 313315988 /nfs/dbraw/zinc/31/59/88/313315988.db2.gz KWPPMQRBRZFTAZ-GUDVDZBRSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416882492 313347501 /nfs/dbraw/zinc/34/75/01/313347501.db2.gz ABFFRNQGZZVAHC-QFBILLFUSA-N 2 0 344.503 2.470 10 0 EEAERP O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000440290494 315123186 /nfs/dbraw/zinc/12/31/86/315123186.db2.gz IHDGJFCVEAJING-UHFFFAOYSA-N 2 0 331.435 2.147 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527849394 317275135 /nfs/dbraw/zinc/27/51/35/317275135.db2.gz SZDUTWYFTMKNND-QGZVFWFLSA-N 2 0 341.503 2.375 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528370444 317369064 /nfs/dbraw/zinc/36/90/64/317369064.db2.gz YTKHKDYPBXCMFB-HXUWFJFHSA-N 2 0 346.515 2.496 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000542466940 318130284 /nfs/dbraw/zinc/13/02/84/318130284.db2.gz OGJYEZSQBOBUGX-SFHVURJKSA-N 2 0 339.443 2.163 10 0 EEAERP C[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543688601 318165990 /nfs/dbraw/zinc/16/59/90/318165990.db2.gz DNZDXAACAUILTF-HKUYNNGSSA-N 2 0 346.519 2.490 10 0 EEAERP CN(CCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000543714901 318167906 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COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[NH2+][C@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000580645127 324103261 /nfs/dbraw/zinc/10/32/61/324103261.db2.gz WVNGIQWUTCFNDZ-NOENWEJRSA-N 2 0 343.471 2.087 10 0 EEAERP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC12CCOCC2 ZINC000581250989 324214367 /nfs/dbraw/zinc/21/43/67/324214367.db2.gz CTUPDNNYVDHLJD-AWEZNQCLSA-N 2 0 344.484 2.392 10 0 EEAERP O[C@H](COc1ccccc1F)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080642 465025882 /nfs/dbraw/zinc/02/58/82/465025882.db2.gz GYZCICDCSIECJC-KRWDZBQOSA-N 2 0 336.451 2.373 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000341269654 465085210 /nfs/dbraw/zinc/08/52/10/465085210.db2.gz MBPNAKJUAJNYNY-FUHWJXTLSA-N 2 0 342.487 2.312 10 0 EEAERP C[NH+]1CCC2(CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000355348656 465242755 /nfs/dbraw/zinc/24/27/55/465242755.db2.gz ZUMDOAFDDBPHBT-UHFFFAOYSA-N 2 0 334.508 2.273 10 0 EEAERP CN(CCC[NH+]1CCCC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000337275961 465281315 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EEAERP C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000079690021 463241031 /nfs/dbraw/zinc/24/10/31/463241031.db2.gz LCNPGIIPBNSBIT-QGZVFWFLSA-N 2 0 336.524 2.378 10 0 EEAERP Cc1ccsc1CNC(=O)CN1CCC(Cc2nccn2C)CC1 ZINC000105876632 463485037 /nfs/dbraw/zinc/48/50/37/463485037.db2.gz CNXNCLRDKNFCGA-UHFFFAOYSA-N 2 0 346.500 2.361 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000152398545 463685211 /nfs/dbraw/zinc/68/52/11/463685211.db2.gz CKOCNVOOSZRBHA-KZNAEPCWSA-N 2 0 338.540 2.479 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170835376 463718527 /nfs/dbraw/zinc/71/85/27/463718527.db2.gz AZUORVSRQMFUAK-RBUKOAKNSA-N 2 0 344.503 2.477 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170863055 463725747 /nfs/dbraw/zinc/72/57/47/463725747.db2.gz HTNSYADWAHPWSN-ROUUACIJSA-N 2 0 332.492 2.197 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522832094 468377608 /nfs/dbraw/zinc/37/76/08/468377608.db2.gz GVIKMXGNASQYKY-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261791293 463861949 /nfs/dbraw/zinc/86/19/49/463861949.db2.gz UNWHMRJYCIJIEG-UHFFFAOYSA-N 2 0 325.456 2.392 10 0 EEAERP CC[C@H](C(=O)N1CCNC[C@@H]1c1ccccc1OC)[NH+](CC)CC ZINC000261912560 463897755 /nfs/dbraw/zinc/89/77/55/463897755.db2.gz HSGYBJCXHOERNB-IAGOWNOFSA-N 2 0 333.476 2.289 10 0 EEAERP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3c2OCO3)CCCN1C ZINC000284470601 464204450 /nfs/dbraw/zinc/20/44/50/464204450.db2.gz IECAVTUMWPRGQQ-KBXCAEBGSA-N 2 0 342.443 2.322 10 0 EEAERP CC(C)c1noc([C@@H](C)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000174881627 464463007 /nfs/dbraw/zinc/46/30/07/464463007.db2.gz HIJDKFMHLQQMBH-CVEARBPZSA-N 2 0 335.496 2.356 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134446 464732012 /nfs/dbraw/zinc/73/20/12/464732012.db2.gz XDLOQVMYUVJJNO-CEXWTWQISA-N 2 0 340.471 2.088 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccccc2n1 ZINC000266716483 464797755 /nfs/dbraw/zinc/79/77/55/464797755.db2.gz RSUMCVFYKDPILD-CVEARBPZSA-N 2 0 327.432 2.103 10 0 EEAERP C[N@H+](CCCn1ccnc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000183175861 464815359 /nfs/dbraw/zinc/81/53/59/464815359.db2.gz YEDJLMGPRKWTDG-MRXNPFEDSA-N 2 0 334.489 2.340 10 0 EEAERP CCc1nccn1[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192735833 464986593 /nfs/dbraw/zinc/98/65/93/464986593.db2.gz YHMUYONUFHCGCC-LJQANCHMSA-N 2 0 347.551 2.499 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000337383283 465339228 /nfs/dbraw/zinc/33/92/28/465339228.db2.gz VQJSEXYVBWRMMM-MJGOQNOKSA-N 2 0 346.519 2.333 10 0 EEAERP C[NH+]1CCC2(CCCN2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000352469318 465531621 /nfs/dbraw/zinc/53/16/21/465531621.db2.gz XAMGNSNKBOMDAN-ALOPSCKCSA-N 2 0 334.508 2.272 10 0 EEAERP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361120024 465779373 /nfs/dbraw/zinc/77/93/73/465779373.db2.gz PEPTXXIMCFSHIW-QGZVFWFLSA-N 2 0 348.466 2.265 10 0 EEAERP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)CN1 ZINC000346168507 465955777 /nfs/dbraw/zinc/95/57/77/465955777.db2.gz LHYJZRLAPYYVEJ-BBRMVZONSA-N 2 0 330.457 2.424 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000340301120 465969641 /nfs/dbraw/zinc/96/96/41/465969641.db2.gz QEAAYVUZMLIUPA-GBESFXJTSA-N 2 0 344.503 2.413 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000346193197 465978680 /nfs/dbraw/zinc/97/86/80/465978680.db2.gz FGSGCZZHFQVAAJ-IRXDYDNUSA-N 2 0 330.457 2.282 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353615526 466015875 /nfs/dbraw/zinc/01/58/75/466015875.db2.gz WIUFZDKFMXSMRI-LWYYNNOASA-N 2 0 341.499 2.498 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@H]1SC ZINC000597176673 468471947 /nfs/dbraw/zinc/47/19/47/468471947.db2.gz KHQFIMOXDAEUPB-RCCFBDPRSA-N 2 0 342.549 2.376 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000367613028 466449417 /nfs/dbraw/zinc/44/94/17/466449417.db2.gz DZHHHAOGRKDIQY-SQNIBIBYSA-N 2 0 336.501 2.194 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361380 466505439 /nfs/dbraw/zinc/50/54/39/466505439.db2.gz HFHDKVWNEPXIDZ-VQIMIIECSA-N 2 0 329.488 2.376 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417221159 466807867 /nfs/dbraw/zinc/80/78/67/466807867.db2.gz NKIFULHNYQWKAR-OQIJWPOYSA-N 2 0 342.487 2.215 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417224767 466808804 /nfs/dbraw/zinc/80/88/04/466808804.db2.gz WDJOMIGTVMTKEH-HZSPNIEDSA-N 2 0 346.466 2.039 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417542185 466880371 /nfs/dbraw/zinc/88/03/71/466880371.db2.gz ZODOERCFVULIAI-JZXOWHBKSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000417579810 466886741 /nfs/dbraw/zinc/88/67/41/466886741.db2.gz BOURACGYLGZNRB-BPIHKTFHSA-N 2 0 342.487 2.185 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417583374 466886824 /nfs/dbraw/zinc/88/68/24/466886824.db2.gz KDFHWMUZXVCZOI-ZIAGYGMSSA-N 2 0 346.466 2.183 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000417745672 466923116 /nfs/dbraw/zinc/92/31/16/466923116.db2.gz FXVZTETVWYQFMD-SFHVURJKSA-N 2 0 336.524 2.282 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000417752471 466925033 /nfs/dbraw/zinc/92/50/33/466925033.db2.gz QXHMRFDYASEMRU-GOSISDBHSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418037486 467031028 /nfs/dbraw/zinc/03/10/28/467031028.db2.gz DGJJDFMFFPEOAJ-XKGZKEIXSA-N 2 0 344.503 2.420 10 0 EEAERP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000418123500 467052799 /nfs/dbraw/zinc/05/27/99/467052799.db2.gz GZLGUYKZGUPLCM-DAWZGUTISA-N 2 0 348.535 2.423 10 0 EEAERP CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000418203752 467074675 /nfs/dbraw/zinc/07/46/75/467074675.db2.gz KOIDYOSXQQKZKH-VBQJREDUSA-N 2 0 336.480 2.111 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418584470 467131542 /nfs/dbraw/zinc/13/15/42/467131542.db2.gz XOARRHCBCURWDG-WMZOPIPTSA-N 2 0 336.524 2.282 10 0 EEAERP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000420297347 467343180 /nfs/dbraw/zinc/34/31/80/467343180.db2.gz CZOCRKIIOHUVRT-SFHVURJKSA-N 2 0 345.487 2.072 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414294938 467399622 /nfs/dbraw/zinc/39/96/22/467399622.db2.gz CLJFPYFHUCOFGC-MRXNPFEDSA-N 2 0 328.460 2.098 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000397499341 467441989 /nfs/dbraw/zinc/44/19/89/467441989.db2.gz FKHNNDSIJLRVTI-PKOBYXMFSA-N 3 0 331.504 2.086 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(C)CCC(=O)N2)CC1 ZINC000453424195 467488460 /nfs/dbraw/zinc/48/84/60/467488460.db2.gz NMIRGBDGVMPWEI-OXJNMPFZSA-N 2 0 329.488 2.340 10 0 EEAERP Cc1nccn1CCCN(C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000437957480 467558750 /nfs/dbraw/zinc/55/87/50/467558750.db2.gz VNDFXCVJGUTMKE-HOTGVXAUSA-N 2 0 335.496 2.486 10 0 EEAERP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449080962 467616918 /nfs/dbraw/zinc/61/69/18/467616918.db2.gz ARSUAFNBIHOSBT-MOPGFXCFSA-N 2 0 345.531 2.392 10 0 EEAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000529285904 467839473 /nfs/dbraw/zinc/83/94/73/467839473.db2.gz QZJNGCNTNIUSPB-LJQANCHMSA-N 2 0 344.503 2.422 10 0 EEAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000529340484 467849625 /nfs/dbraw/zinc/84/96/25/467849625.db2.gz OSCKVTDHEUIIAZ-XYJFISCASA-N 2 0 332.492 2.274 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000458930421 467925066 /nfs/dbraw/zinc/92/50/66/467925066.db2.gz FCIZLRRPOPYZER-FUHWJXTLSA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000459252327 467953275 /nfs/dbraw/zinc/95/32/75/467953275.db2.gz GPJZEQSADWMDRT-MSOLQXFVSA-N 2 0 336.524 2.378 10 0 EEAERP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000530710668 468003477 /nfs/dbraw/zinc/00/34/77/468003477.db2.gz SRDWPYWQGDCEQF-CABCVRRESA-N 2 0 348.495 2.062 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000516633217 468038781 /nfs/dbraw/zinc/03/87/81/468038781.db2.gz IXXNMFIVJDTXOV-INIZCTEOSA-N 2 0 345.491 2.141 10 0 EEAERP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000517060904 468068535 /nfs/dbraw/zinc/06/85/35/468068535.db2.gz PMQMGOKDRRLUQA-GXTWGEPZSA-N 2 0 328.416 2.283 10 0 EEAERP Cn1ncc(Br)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000494999568 468082051 /nfs/dbraw/zinc/08/20/51/468082051.db2.gz UXZDPAIFWNZZMU-YPMHNXCESA-N 2 0 327.270 2.099 10 0 EEAERP C[NH+](C)C[C@](C)(O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851995 468223499 /nfs/dbraw/zinc/22/34/99/468223499.db2.gz FBHOBPYZBYOKQD-RTBURBONSA-N 2 0 331.504 2.086 10 0 EEAERP COCCN(C)C[C@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221960 468606167 /nfs/dbraw/zinc/60/61/67/468606167.db2.gz CQPYUGKIYSZBDW-RBUKOAKNSA-N 2 0 349.519 2.356 10 0 EEAERP CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1cnc[nH]1 ZINC000582900345 468614094 /nfs/dbraw/zinc/61/40/94/468614094.db2.gz ATFCFAUOFPUKRS-DLBZAZTESA-N 2 0 338.455 2.420 10 0 EEAERP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000583078226 468639098 /nfs/dbraw/zinc/63/90/98/468639098.db2.gz DKQGKCWZVKGKAD-RBUKOAKNSA-N 2 0 345.487 2.131 10 0 EEAERP C[C@H](CSCCF)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000595007228 468742344 /nfs/dbraw/zinc/74/23/44/468742344.db2.gz KJWFHKZYVKFYJD-CQSZACIVSA-N 2 0 326.485 2.014 10 0 EEAERP CN1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1=O ZINC000571442233 468789603 /nfs/dbraw/zinc/78/96/03/468789603.db2.gz XXOKWORUFZUAOJ-MSOLQXFVSA-N 2 0 327.472 2.394 10 0 EEAERP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC1CCCC1 ZINC000571910745 468856954 /nfs/dbraw/zinc/85/69/54/468856954.db2.gz WPIUUOHZSQRZDV-PMACEKPBSA-N 2 0 332.488 2.284 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000571984100 468866506 /nfs/dbraw/zinc/86/65/06/468866506.db2.gz HOWOLKHYBNTYCG-QFBILLFUSA-N 2 0 348.491 2.448 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572380889 468926336 /nfs/dbraw/zinc/92/63/36/468926336.db2.gz BHAJJJFSLHATNI-IAGOWNOFSA-N 2 0 330.476 2.121 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593322227 468938312 /nfs/dbraw/zinc/93/83/12/468938312.db2.gz LVHFRZSKJINQDS-KZNAEPCWSA-N 2 0 332.444 2.334 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000572974607 469034740 /nfs/dbraw/zinc/03/47/40/469034740.db2.gz BULSBYCTLBZQRB-APWZRJJASA-N 2 0 344.503 2.257 10 0 EEAERP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611255643 469211059 /nfs/dbraw/zinc/21/10/59/469211059.db2.gz SCMRZIDZINNJRS-QGZVFWFLSA-N 2 0 332.444 2.156 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000618547110 469385797 /nfs/dbraw/zinc/38/57/97/469385797.db2.gz BWANEHBBXGFELK-QZTJIDSGSA-N 2 0 332.492 2.463 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000618551841 469386282 /nfs/dbraw/zinc/38/62/82/469386282.db2.gz KHENOUWMFZMCIP-LJQANCHMSA-N 2 0 344.503 2.087 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000629529122 469572987 /nfs/dbraw/zinc/57/29/87/469572987.db2.gz SADAGKAIZLNILY-NSHDSACASA-N 2 0 331.254 2.344 10 0 EEAERP CN(c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1)S(C)(=O)=O ZINC000623414938 469650797 /nfs/dbraw/zinc/65/07/97/469650797.db2.gz VMCDCRKGHSXPSG-HNNXBMFYSA-N 2 0 339.505 2.045 10 0 EEAERP CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607241324 469677824 /nfs/dbraw/zinc/67/78/24/469677824.db2.gz IEZUGURGUISNLC-IRXDYDNUSA-N 2 0 326.529 2.336 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000619900492 469707467 /nfs/dbraw/zinc/70/74/67/469707467.db2.gz VTYVQRSHFBQOQY-GOSISDBHSA-N 2 0 344.503 2.043 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000626918141 469753472 /nfs/dbraw/zinc/75/34/72/469753472.db2.gz PHXKMJNOSRBCDU-ZWKOTPCHSA-N 2 0 330.476 2.091 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934382 469760864 /nfs/dbraw/zinc/76/08/64/469760864.db2.gz FUWJRLWRESFGSX-KSZLIROESA-N 2 0 330.476 2.263 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000626979008 469775393 /nfs/dbraw/zinc/77/53/93/469775393.db2.gz NTPWBIBZFPQWPM-OKZBNKHCSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[NH2+]1 ZINC000626992247 469780664 /nfs/dbraw/zinc/78/06/64/469780664.db2.gz RQVUKNHVMDRYBE-DAXOMENPSA-N 2 0 338.883 2.382 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000627167463 469831848 /nfs/dbraw/zinc/83/18/48/469831848.db2.gz FVRQXPLGIAWAIF-RBUKOAKNSA-N 2 0 344.503 2.433 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000617911920 469836201 /nfs/dbraw/zinc/83/62/01/469836201.db2.gz SFNTUKJZERQXTG-GOSISDBHSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)C[NH2+]1 ZINC000627195500 469840891 /nfs/dbraw/zinc/84/08/91/469840891.db2.gz LGCUVNKDYFNEKF-IEBWSBKVSA-N 2 0 346.519 2.333 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627240296 469853947 /nfs/dbraw/zinc/85/39/47/469853947.db2.gz TXHCZXCAHVFWIF-XYJFISCASA-N 2 0 330.476 2.043 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632861372 470279245 /nfs/dbraw/zinc/27/92/45/470279245.db2.gz MDMIMGQNZHXONM-ZCNNSNEGSA-N 2 0 341.499 2.499 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634724079 470286970 /nfs/dbraw/zinc/28/69/70/470286970.db2.gz JJGXAWMUHWFCBR-XRULBBBTSA-N 2 0 346.515 2.256 10 0 EEAERP Cc1cc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)n(C2CC[NH+](C)CC2)n1 ZINC000632920401 470287472 /nfs/dbraw/zinc/28/74/72/470287472.db2.gz ZDGXLTRPDTYEDS-OAHLLOKOSA-N 2 0 348.495 2.193 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000645995656 470487294 /nfs/dbraw/zinc/48/72/94/470487294.db2.gz BYCBVBOVNFJUQF-XBMUEBEBSA-N 2 0 345.487 2.054 10 0 EEAERP O=C1NCC[C@@H]1[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639726040 470637089 /nfs/dbraw/zinc/63/70/89/470637089.db2.gz RDXOQMAESVCOCS-SFHVURJKSA-N 2 0 327.472 2.253 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(OC(C)C)ccn2)CC1 ZINC000649623822 470646979 /nfs/dbraw/zinc/64/69/79/470646979.db2.gz DBZFMSYQTPXOCF-UHFFFAOYSA-N 2 0 334.508 2.375 10 0 EEAERP COCCN1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647178879 470849359 /nfs/dbraw/zinc/84/93/59/470849359.db2.gz PEJJNWMSFJNNCQ-SFHVURJKSA-N 2 0 328.460 2.381 10 0 EEAERP COc1cc(Br)c(C[NH2+]CCC2(C[NH3+])CC2)cc1O ZINC000650713258 470949096 /nfs/dbraw/zinc/94/90/96/470949096.db2.gz MEMXIOPKGKOBIN-UHFFFAOYSA-N 2 0 329.238 2.382 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000650716905 470949758 /nfs/dbraw/zinc/94/97/58/470949758.db2.gz MTOPQRWSNAJLIK-IBGZPJMESA-N 2 0 346.519 2.287 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000650716906 470950034 /nfs/dbraw/zinc/95/00/34/470950034.db2.gz MTOPQRWSNAJLIK-LJQANCHMSA-N 2 0 346.519 2.287 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc3c2OCCO3)C1 ZINC000650722472 470950635 /nfs/dbraw/zinc/95/06/35/470950635.db2.gz UTTGXNBDQISFPB-NUJGCVRESA-N 2 0 332.444 2.319 10 0 EEAERP Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000650868461 470988870 /nfs/dbraw/zinc/98/88/70/470988870.db2.gz ABLKPKZOYUTNBA-KRWDZBQOSA-N 2 0 341.459 2.097 10 0 EEAERP O=C(CCC1C[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638311209 471034067 /nfs/dbraw/zinc/03/40/67/471034067.db2.gz XLNCHFADQHRSHH-PMACEKPBSA-N 2 0 341.499 2.499 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654532621 471057969 /nfs/dbraw/zinc/05/79/69/471057969.db2.gz YTLULZPRAPODPN-KANFNMMFSA-N 2 0 344.503 2.146 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657346995 471107721 /nfs/dbraw/zinc/10/77/21/471107721.db2.gz KRNBHUKLEZWPLU-MRXNPFEDSA-N 2 0 333.524 2.051 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)nc1 ZINC000638529888 471133014 /nfs/dbraw/zinc/13/30/14/471133014.db2.gz OEVYGZSFQCFQDW-QRVBRYPASA-N 2 0 343.519 2.405 10 0 EEAERP c1cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC000657473582 471148081 /nfs/dbraw/zinc/14/80/81/471148081.db2.gz NHWFXSOJCWUFKK-UHFFFAOYSA-N 2 0 349.438 2.394 10 0 EEAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCC3(F)F)C2)CC1 ZINC000648316159 471162300 /nfs/dbraw/zinc/16/23/00/471162300.db2.gz JCQJBAJWLFKRDE-UKRRQHHQSA-N 2 0 329.435 2.097 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000651945240 471180271 /nfs/dbraw/zinc/18/02/71/471180271.db2.gz ULBCPQDOPZVLGU-PXNSSMCTSA-N 2 0 332.488 2.213 10 0 EEAERP COc1ccccc1-c1cc(CNCc2cnc(N(C)C)n2C)on1 ZINC000657821029 471237867 /nfs/dbraw/zinc/23/78/67/471237867.db2.gz YGJGKJQAYDEGPV-UHFFFAOYSA-N 2 0 341.415 2.440 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000652225090 471259047 /nfs/dbraw/zinc/25/90/47/471259047.db2.gz PQLNTJIAAKGQJP-GOSISDBHSA-N 2 0 332.492 2.232 10 0 EEAERP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658134760 471269488 /nfs/dbraw/zinc/26/94/88/471269488.db2.gz BTFCVPREAXHJJB-VQIMIIECSA-N 2 0 328.460 2.018 10 0 EEAERP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138736 471270252 /nfs/dbraw/zinc/27/02/52/471270252.db2.gz OONFIRVFGJYZBV-KDOFPFPSSA-N 2 0 326.444 2.202 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000652522683 471304576 /nfs/dbraw/zinc/30/45/76/471304576.db2.gz RXWPJQGPARQVNE-IBGZPJMESA-N 2 0 346.519 2.388 10 0 EEAERP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCOC1 ZINC000660447420 471347441 /nfs/dbraw/zinc/34/74/41/471347441.db2.gz JZIRLBVBBFBEOW-VNTMZGSJSA-N 2 0 330.472 2.102 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698088 471447045 /nfs/dbraw/zinc/44/70/45/471447045.db2.gz WALOHPSIELSCQZ-WOJBJXKFSA-N 2 0 331.504 2.002 10 0 EEAERP C[C@H](CCNC(=O)N(C)CC1C[NH+](C)C1)[N@H+](C)Cc1ccccc1 ZINC000660784721 471484927 /nfs/dbraw/zinc/48/49/27/471484927.db2.gz DNNTWXHONLKAFU-MRXNPFEDSA-N 2 0 332.492 2.100 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653108165 471491385 /nfs/dbraw/zinc/49/13/85/471491385.db2.gz KZSNIFFNKOEVKN-KNBMTAEXSA-N 2 0 343.471 2.236 10 0 EEAERP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)o1 ZINC000663736750 471497264 /nfs/dbraw/zinc/49/72/64/471497264.db2.gz YQTWVKXICXPZRK-ZBFHGGJFSA-N 2 0 336.480 2.086 10 0 EEAERP CCC1(CNC(=O)NC[C@@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000669543373 471543514 /nfs/dbraw/zinc/54/35/14/471543514.db2.gz QLUPCOKQJPHBQP-MRXNPFEDSA-N 2 0 332.492 2.325 10 0 EEAERP Cc1ccc(CNC(=O)N[C@@H](C)c2nccn2C)c(N2CCCC2)n1 ZINC000661007732 471585542 /nfs/dbraw/zinc/58/55/42/471585542.db2.gz BXTVBXNLZRLREL-AWEZNQCLSA-N 2 0 342.447 2.284 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000659381322 471598135 /nfs/dbraw/zinc/59/81/35/471598135.db2.gz JXWLLYPTFYCCRQ-MSOLQXFVSA-N 2 0 327.472 2.014 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659427029 471620122 /nfs/dbraw/zinc/62/01/22/471620122.db2.gz JFOCBDNEBOAYNH-RMXPPQQLSA-N 2 0 330.476 2.121 10 0 EEAERP CC(C)C[N@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)ncn1 ZINC000664058243 471624249 /nfs/dbraw/zinc/62/42/49/471624249.db2.gz YZUZMQXBZSDZHW-UHFFFAOYSA-N 2 0 335.496 2.218 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000664124526 471645571 /nfs/dbraw/zinc/64/55/71/471645571.db2.gz BLAXOGGLDGETDR-IBGZPJMESA-N 2 0 344.503 2.417 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000659473952 471645582 /nfs/dbraw/zinc/64/55/82/471645582.db2.gz YKYHPDIMDFWPNX-BHUNQDJPSA-N 2 0 340.487 2.110 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659482212 471649973 /nfs/dbraw/zinc/64/99/73/471649973.db2.gz KVOOMSNUPXTNLF-FDYSRKEFSA-N 2 0 344.503 2.194 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCCCC1 ZINC000659505450 471660665 /nfs/dbraw/zinc/66/06/65/471660665.db2.gz NOYZMXZJQLYFGL-QGZVFWFLSA-N 2 0 336.524 2.459 10 0 EEAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577412 471684015 /nfs/dbraw/zinc/68/40/15/471684015.db2.gz SFMRXMMNXSFODI-DDBAPUKQSA-N 2 0 330.476 2.043 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000661351041 471725211 /nfs/dbraw/zinc/72/52/11/471725211.db2.gz JFIYAHLSBPELAT-GOSISDBHSA-N 2 0 338.540 2.386 10 0 EEAERP Cn1cnc(CCNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000656494352 471733765 /nfs/dbraw/zinc/73/37/65/471733765.db2.gz HCGBFTXIYIDPMZ-UHFFFAOYSA-N 2 0 345.447 2.115 10 0 EEAERP CSc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000660055463 471844117 /nfs/dbraw/zinc/84/41/17/471844117.db2.gz FXNUFDRLZAXYFS-UHFFFAOYSA-N 2 0 335.517 2.298 10 0 EEAERP C[C@H](CC[NH+]1C[C@H]2COC[C@]2(C)C1)CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661702185 471856209 /nfs/dbraw/zinc/85/62/09/471856209.db2.gz FMYLPQNHLSFHJC-WPVAHCMFSA-N 2 0 336.520 2.339 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000660127858 471873430 /nfs/dbraw/zinc/87/34/30/471873430.db2.gz QGLQJWJBTSKXHV-JUJYPNOZSA-N 3 0 348.579 2.207 10 0 EEAERP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000654437247 471959079 /nfs/dbraw/zinc/95/90/79/471959079.db2.gz HCHXHAZZVCFEOY-NXHRZFHOSA-N 2 0 332.492 2.146 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667962455 471965147 /nfs/dbraw/zinc/96/51/47/471965147.db2.gz POGOLGRYXVCAQB-SLFFLAALSA-N 2 0 330.472 2.300 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000665257060 471982757 /nfs/dbraw/zinc/98/27/57/471982757.db2.gz XRIQQHCLKZJWBW-YSSFQJQWSA-N 2 0 331.504 2.461 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2sccc2OC)CC1 ZINC000665289128 471990733 /nfs/dbraw/zinc/99/07/33/471990733.db2.gz HCRLPZANSSBLGS-CYBMUJFWSA-N 2 0 339.505 2.398 10 0 EEAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CCO1 ZINC000662320706 472069604 /nfs/dbraw/zinc/06/96/04/472069604.db2.gz DLEAGRHPIVDNAF-GOSISDBHSA-N 2 0 345.487 2.008 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCc2nc[nH]c2C1 ZINC000665507216 472071162 /nfs/dbraw/zinc/07/11/62/472071162.db2.gz QPYZWXJTNUYIEJ-QGZVFWFLSA-N 2 0 338.455 2.427 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)on1 ZINC000662675081 472200270 /nfs/dbraw/zinc/20/02/70/472200270.db2.gz KATMHBBDPVCVPD-UHFFFAOYSA-N 2 0 342.443 2.394 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)on1 ZINC000662771814 472244744 /nfs/dbraw/zinc/24/47/44/472244744.db2.gz APHOZFIZVWFCQA-OAHLLOKOSA-N 2 0 338.411 2.451 10 0 EEAERP [NH3+]C1(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000662802767 472258267 /nfs/dbraw/zinc/25/82/67/472258267.db2.gz DBWKHGHEAINUMB-MSOLQXFVSA-N 2 0 327.472 2.381 10 0 EEAERP Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000644667075 485498338 /nfs/dbraw/zinc/49/83/38/485498338.db2.gz LUMCGNKQYVFRQP-GOSISDBHSA-N 2 0 325.412 2.481 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000570682002 485570910 /nfs/dbraw/zinc/57/09/10/485570910.db2.gz ZRTYAZFFYZNCHE-SQNIBIBYSA-N 2 0 333.451 2.343 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073643066 490588668 /nfs/dbraw/zinc/58/86/68/490588668.db2.gz FJZCEVDBFYXMFO-INIZCTEOSA-N 2 0 332.492 2.453 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000416137060 534416501 /nfs/dbraw/zinc/41/65/01/534416501.db2.gz RSILXIXBCOMWLY-MOPGFXCFSA-N 2 0 327.472 2.178 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000416126342 534417718 /nfs/dbraw/zinc/41/77/18/534417718.db2.gz DPVVGKJJFJPQFE-OALUTQOASA-N 2 0 327.472 2.178 10 0 EEAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761093319 577676469 /nfs/dbraw/zinc/67/64/69/577676469.db2.gz NHACHLWNVFYFLZ-HHXXYDBFSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCCCC1 ZINC000747547149 577946082 /nfs/dbraw/zinc/94/60/82/577946082.db2.gz MTJDWSZBFOIPTD-AWEZNQCLSA-N 2 0 328.420 2.263 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383917562 578266311 /nfs/dbraw/zinc/26/63/11/578266311.db2.gz QGGUSTDAUGARST-YZGWKJHDSA-N 2 0 331.504 2.207 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2c(n1)CCCC2 ZINC000925040959 682659463 /nfs/dbraw/zinc/65/94/63/682659463.db2.gz LSGIFXCFBKSJJH-CVEARBPZSA-N 2 0 331.508 2.039 10 0 EEAERP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897065762 686091897 /nfs/dbraw/zinc/09/18/97/686091897.db2.gz VPTVVDRNDSTFNY-SFHVURJKSA-N 2 0 343.471 2.250 10 0 EEAERP Cc1ncsc1C[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001485534208 1191830339 /nfs/dbraw/zinc/83/03/39/1191830339.db2.gz ZUTVVUNYZKEPDR-CYBMUJFWSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485642459 1191876248 /nfs/dbraw/zinc/87/62/48/1191876248.db2.gz CMTHLVZKVROOOR-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1C[C@]2(C)C[N@@H+](CC[C@@H](C)F)C[C@]2(C)C1 ZINC001485669408 1191888796 /nfs/dbraw/zinc/88/87/96/1191888796.db2.gz GGCIMOAWOGNCGV-NXHRZFHOSA-N 2 0 327.488 2.245 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001485657260 1191891227 /nfs/dbraw/zinc/89/12/27/1191891227.db2.gz ISRGOLFBLVNGPS-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC001485688049 1191897976 /nfs/dbraw/zinc/89/79/76/1191897976.db2.gz WCAXNUFQBLGXTR-WGSAOQKQSA-N 2 0 341.499 2.342 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)s1 ZINC001485723865 1191910562 /nfs/dbraw/zinc/91/05/62/1191910562.db2.gz JVRGKORKXWOYMP-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP CCO[C@@H](C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1)C1CC1 ZINC001485767959 1191941577 /nfs/dbraw/zinc/94/15/77/1191941577.db2.gz UYEKXTANLRAJGW-SFHVURJKSA-N 2 0 339.524 2.065 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266460091 1176576060 /nfs/dbraw/zinc/57/60/60/1176576060.db2.gz WYYDRVINJMYVNF-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1cccs1 ZINC001266757262 1177360983 /nfs/dbraw/zinc/36/09/83/1177360983.db2.gz UCTUWZWNCXPDIY-QGZVFWFLSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]CCCOC(C)C)ccc2c[nH+]cn21 ZINC001266949447 1177873586 /nfs/dbraw/zinc/87/35/86/1177873586.db2.gz OTFXYEYIVJEJFS-CQSZACIVSA-N 2 0 332.448 2.166 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001698858375 1178249975 /nfs/dbraw/zinc/24/99/75/1178249975.db2.gz CFTHMIAYVFNJCA-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267112855 1178270453 /nfs/dbraw/zinc/27/04/53/1178270453.db2.gz ADKCRBQDSWXVPK-MSOLQXFVSA-N 2 0 341.540 2.168 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001267278398 1178663829 /nfs/dbraw/zinc/66/38/29/1178663829.db2.gz JLFCRMZMEAQMHZ-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccnc1 ZINC001481003557 1179461412 /nfs/dbraw/zinc/46/14/12/1179461412.db2.gz FSOCORVHICRUFJ-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001481154849 1179941421 /nfs/dbraw/zinc/94/14/21/1179941421.db2.gz YIRGTOVXVKHADL-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ocnc2C)C1)[NH+](C)C ZINC001267893113 1180704695 /nfs/dbraw/zinc/70/46/95/1180704695.db2.gz JAUZAOICPGBJMB-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP CO[C@@H](C)C[NH2+]CCC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001267914802 1180754852 /nfs/dbraw/zinc/75/48/52/1180754852.db2.gz NPMWGMIXRHASFP-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC001481292248 1180918664 /nfs/dbraw/zinc/91/86/64/1180918664.db2.gz DKHOCBSLTBPXFT-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP CN(CC[NH2+]Cc1ccns1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001481292461 1180921743 /nfs/dbraw/zinc/92/17/43/1180921743.db2.gz LPUOLCCFAVBDTF-UHFFFAOYSA-N 2 0 332.473 2.067 10 0 EEAERP Cc1ccncc1C[N@@H+](CCCNC(=O)Cc1cncn1C)C(C)C ZINC001481356585 1181111385 /nfs/dbraw/zinc/11/13/85/1181111385.db2.gz FFEFPMULTMVVJZ-UHFFFAOYSA-N 2 0 343.475 2.083 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001481457156 1181408297 /nfs/dbraw/zinc/40/82/97/1181408297.db2.gz KVMBOOUWOSEOLY-IRXDYDNUSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001268096197 1181737245 /nfs/dbraw/zinc/73/72/45/1181737245.db2.gz ZRPCFBYDFDTWHH-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001268138753 1181797561 /nfs/dbraw/zinc/79/75/61/1181797561.db2.gz CROCPYPYAJICMG-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1C[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC001481595896 1181827528 /nfs/dbraw/zinc/82/75/28/1181827528.db2.gz SFFLUADAQZMUKX-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001268165996 1181901216 /nfs/dbraw/zinc/90/12/16/1181901216.db2.gz JTNFYYJQMCNUBT-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348575 1182303515 /nfs/dbraw/zinc/30/35/15/1182303515.db2.gz HRNDHJYDZMUHHV-DNVCBOLYSA-N 2 0 340.471 2.313 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268380119 1182402691 /nfs/dbraw/zinc/40/26/91/1182402691.db2.gz YCFXQEYJKMVDGE-UKRRQHHQSA-N 2 0 334.464 2.021 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCOC(C)C)C2)C1 ZINC001481739440 1182458370 /nfs/dbraw/zinc/45/83/70/1182458370.db2.gz XYEIFBJYURMEIE-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1C ZINC001268424543 1182592601 /nfs/dbraw/zinc/59/26/01/1182592601.db2.gz WEWRXXFLLCOBEJ-OAHLLOKOSA-N 2 0 333.476 2.084 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001481773868 1182685091 /nfs/dbraw/zinc/68/50/91/1182685091.db2.gz FBJZTCAZHZORRV-CABCVRRESA-N 2 0 331.451 2.296 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001481847618 1182792175 /nfs/dbraw/zinc/79/21/75/1182792175.db2.gz GMHKGAIDQXLMFL-OCCSQVGLSA-N 2 0 327.419 2.462 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001481869231 1182842824 /nfs/dbraw/zinc/84/28/24/1182842824.db2.gz JOCAKQHQCLHZHX-MSOLQXFVSA-N 2 0 335.467 2.482 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001481877070 1182855462 /nfs/dbraw/zinc/85/54/62/1182855462.db2.gz ZFLNBJZXZAYSHF-KGLIPLIRSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1N(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268491055 1182987263 /nfs/dbraw/zinc/98/72/63/1182987263.db2.gz JYFIRYVOUAQFPV-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1)c1ccccc1 ZINC001482157043 1183475524 /nfs/dbraw/zinc/47/55/24/1183475524.db2.gz RPVDAWAOIIHPHJ-IAGOWNOFSA-N 2 0 347.503 2.200 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001268625739 1183549296 /nfs/dbraw/zinc/54/92/96/1183549296.db2.gz SCXVXCNHEXAIRZ-BGTMTDRBSA-N 2 0 329.435 2.170 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915387 1183823622 /nfs/dbraw/zinc/82/36/22/1183823622.db2.gz MDXCTDDXUOJNQN-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP CN(CCC[NH2+]C/C=C\c1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001268916148 1183824624 /nfs/dbraw/zinc/82/46/24/1183824624.db2.gz ZASHFCKUTDSHKE-UITAMQMPSA-N 2 0 327.472 2.234 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1ncccn1)[NH+]1CCCC1 ZINC001268962178 1183859133 /nfs/dbraw/zinc/85/91/33/1183859133.db2.gz OOWANKRLCIBDTP-IRXDYDNUSA-N 2 0 347.507 2.096 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCC1)[NH+](C)C ZINC001269588118 1184413976 /nfs/dbraw/zinc/41/39/76/1184413976.db2.gz LGIVMDXJNVGPNH-DLBZAZTESA-N 2 0 339.524 2.304 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CCO[C@H](C)C2)CCCC1 ZINC001482236831 1184497024 /nfs/dbraw/zinc/49/70/24/1184497024.db2.gz OZYSWHVPSHJMNC-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCOC)[NH+](CC)CC ZINC001269675827 1184500623 /nfs/dbraw/zinc/50/06/23/1184500623.db2.gz JEQHYSIZHLNOKJ-FGTMMUONSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001269759535 1184596373 /nfs/dbraw/zinc/59/63/73/1184596373.db2.gz DFIIVQXPWSKEIA-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]Cc3ccccc3F)CC2)C1 ZINC001269943028 1184731944 /nfs/dbraw/zinc/73/19/44/1184731944.db2.gz FRRUAIATZREGMJ-SFHVURJKSA-N 2 0 347.478 2.496 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001269948200 1184737510 /nfs/dbraw/zinc/73/75/10/1184737510.db2.gz KGNZCXMTSRNMJN-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC001284737854 1184749104 /nfs/dbraw/zinc/74/91/04/1184749104.db2.gz NUIKRXKHDZYGDQ-OLZOCXBDSA-N 2 0 341.393 2.057 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)ncn1 ZINC001270035547 1184803305 /nfs/dbraw/zinc/80/33/05/1184803305.db2.gz AVGGZBDCRXDQAL-QAQDUYKDSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001482428317 1185689306 /nfs/dbraw/zinc/68/93/06/1185689306.db2.gz IFHZYSJPPULQEZ-CXAGYDPISA-N 2 0 339.430 2.243 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)co1 ZINC001482455487 1185871331 /nfs/dbraw/zinc/87/13/31/1185871331.db2.gz MGMLVKNAZQODJK-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)co1 ZINC001482456836 1185884340 /nfs/dbraw/zinc/88/43/40/1185884340.db2.gz PCUXZKKLALKXRW-ROUUACIJSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccn2)C(C)C)C1 ZINC001482551031 1186658190 /nfs/dbraw/zinc/65/81/90/1186658190.db2.gz WDJCGVCWXVQGJK-PKOBYXMFSA-N 2 0 346.519 2.434 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001409938882 1193484187 /nfs/dbraw/zinc/48/41/87/1193484187.db2.gz XUHMXWPVVVNGQK-RDJZCZTQSA-N 2 0 329.488 2.273 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001482875848 1187795505 /nfs/dbraw/zinc/79/55/05/1187795505.db2.gz BPEUOUVGZRHNRU-DLBZAZTESA-N 2 0 349.523 2.152 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001482901265 1187813089 /nfs/dbraw/zinc/81/30/89/1187813089.db2.gz JNSUWSWIUDPHAW-SUMWQHHRSA-N 2 0 336.480 2.150 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC001691542331 1187964502 /nfs/dbraw/zinc/96/45/02/1187964502.db2.gz FMWHXORPAHMRHA-UHFFFAOYSA-N 2 0 328.460 2.125 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001483015576 1188002338 /nfs/dbraw/zinc/00/23/38/1188002338.db2.gz MXQGSWNXYDMSGH-BWPKMQGJSA-N 2 0 329.435 2.168 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483026918 1188032816 /nfs/dbraw/zinc/03/28/16/1188032816.db2.gz SRNQLIFJQOKMHA-XDXAGZTOSA-N 2 0 333.451 2.380 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483059488 1188352956 /nfs/dbraw/zinc/35/29/56/1188352956.db2.gz SMBLEWHSCVWGHI-JTGQJZMRSA-N 2 0 329.488 2.353 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C/c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483083715 1188444474 /nfs/dbraw/zinc/44/44/74/1188444474.db2.gz OTCSEYKVNGUWMZ-HSKKLARCSA-N 2 0 325.456 2.058 10 0 EEAERP Cc1cccc(CCC[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001483092242 1188459203 /nfs/dbraw/zinc/45/92/03/1188459203.db2.gz DTIOSYPMBBZAKC-ZRHASKPBSA-N 2 0 329.488 2.141 10 0 EEAERP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001483145636 1188774719 /nfs/dbraw/zinc/77/47/19/1188774719.db2.gz ULOXIHASVUSXPL-CYBMUJFWSA-N 2 0 335.414 2.442 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483166930 1189003245 /nfs/dbraw/zinc/00/32/45/1189003245.db2.gz QOVZLUHGBPZKSS-MRXNPFEDSA-N 2 0 348.535 2.325 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(COC)c2)CC[N@@H+]1C ZINC001483228699 1189545517 /nfs/dbraw/zinc/54/55/17/1189545517.db2.gz VXQDGPYBVARTSU-ZYSHUDEJSA-N 2 0 347.503 2.158 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485875222 1193626898 /nfs/dbraw/zinc/62/68/98/1193626898.db2.gz JUZUDQULYMIECQ-DNVCBOLYSA-N 2 0 347.478 2.412 10 0 EEAERP C[C@H](NC(=O)CCc1nccn1C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001409390639 1189612304 /nfs/dbraw/zinc/61/23/04/1189612304.db2.gz USHRJNMFXFXPNL-HOTGVXAUSA-N 2 0 328.460 2.078 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432598 1189665580 /nfs/dbraw/zinc/66/55/80/1189665580.db2.gz MJJQDJDCUGDTJN-JKSUJKDBSA-N 2 0 331.504 2.500 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)cc1C ZINC001483384918 1190433645 /nfs/dbraw/zinc/43/36/45/1190433645.db2.gz SUTLLFIASBTGSP-WBVHZDCISA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486125885 1193687525 /nfs/dbraw/zinc/68/75/25/1193687525.db2.gz BBWKKCTYEAGEGK-PKOBYXMFSA-N 2 0 341.499 2.294 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621349 1190604849 /nfs/dbraw/zinc/60/48/49/1190604849.db2.gz GXLNGCBDWCBONV-NVXWUHKLSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2)CN1C(=O)CC[NH+](C)C ZINC001486122821 1193688256 /nfs/dbraw/zinc/68/82/56/1193688256.db2.gz UXFBHXANBWLBGS-ZFWWWQNUSA-N 2 0 339.430 2.038 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001486123206 1193688264 /nfs/dbraw/zinc/68/82/64/1193688264.db2.gz ZKAXWAOOFKZRIH-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001486131637 1193690186 /nfs/dbraw/zinc/69/01/86/1193690186.db2.gz XUYSFQKLWCGNOZ-QZTJIDSGSA-N 2 0 345.487 2.049 10 0 EEAERP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001409829946 1190661626 /nfs/dbraw/zinc/66/16/26/1190661626.db2.gz FTIFERNGNQXTNP-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1scnc1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409843975 1190676268 /nfs/dbraw/zinc/67/62/68/1190676268.db2.gz OGCCXJUFNNYIPU-HUUCEWRRSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001272654162 1190965317 /nfs/dbraw/zinc/96/53/17/1190965317.db2.gz VYGWKKMSYPDEGZ-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001483955894 1191130456 /nfs/dbraw/zinc/13/04/56/1191130456.db2.gz VDKUBZVSJZKTBN-SMTIMMHKSA-N 2 0 327.472 2.376 10 0 EEAERP C[C@@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484123548 1191223047 /nfs/dbraw/zinc/22/30/47/1191223047.db2.gz BGSRRHIHCDXCGQ-JZLODUJNSA-N 2 0 327.900 2.443 10 0 EEAERP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC[C@H](C)F)CCC1(F)F ZINC001484197533 1191269284 /nfs/dbraw/zinc/26/92/84/1191269284.db2.gz ISBIIHORNBLUQF-KBPBESRZSA-N 2 0 337.430 2.148 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H](C)c1ccccc1 ZINC001484501802 1191385724 /nfs/dbraw/zinc/38/57/24/1191385724.db2.gz JRKUMVAINBUFAN-MJGOQNOKSA-N 2 0 347.503 2.033 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]C[C@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC001484528264 1191399486 /nfs/dbraw/zinc/39/94/86/1191399486.db2.gz YINQOHSSKFDBPP-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001484549539 1191409406 /nfs/dbraw/zinc/40/94/06/1191409406.db2.gz KATRYZQUBBQKKC-HOTGVXAUSA-N 2 0 343.462 2.346 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nccn1C)[NH+](CC)CC ZINC001484618381 1191444089 /nfs/dbraw/zinc/44/40/89/1191444089.db2.gz QOEMETCCWGQAEN-IAGOWNOFSA-N 2 0 349.523 2.011 10 0 EEAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001484692766 1191469053 /nfs/dbraw/zinc/46/90/53/1191469053.db2.gz NIMRFAYXRMJEHP-MOPGFXCFSA-N 2 0 347.503 2.124 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3nccn32)CC1 ZINC001484718042 1191481675 /nfs/dbraw/zinc/48/16/75/1191481675.db2.gz LZJUZLCINXQCCI-INIZCTEOSA-N 2 0 344.459 2.345 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]Cc2cncn2C)CC1 ZINC001484818773 1191539245 /nfs/dbraw/zinc/53/92/45/1191539245.db2.gz BAXFAFBGIBILSI-UHFFFAOYSA-N 2 0 349.523 2.013 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(F)c1Cl ZINC001484900039 1191565245 /nfs/dbraw/zinc/56/52/45/1191565245.db2.gz NBLFUPXROVZJDZ-WFASDCNBSA-N 2 0 341.858 2.367 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001484926132 1191573343 /nfs/dbraw/zinc/57/33/43/1191573343.db2.gz ITRUIISVNPFJPT-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001485041480 1191622904 /nfs/dbraw/zinc/62/29/04/1191622904.db2.gz OJAFYAKBJLURHQ-SUHDFKPZSA-N 2 0 334.291 2.228 10 0 EEAERP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485255762 1191713323 /nfs/dbraw/zinc/71/33/23/1191713323.db2.gz RVAYUGRROQEQGD-UHFFFAOYSA-N 2 0 346.475 2.367 10 0 EEAERP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001485289748 1191721192 /nfs/dbraw/zinc/72/11/92/1191721192.db2.gz WZTFGUNRRRJILD-LPHOPBHVSA-N 2 0 347.503 2.077 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1 ZINC001485323013 1191741762 /nfs/dbraw/zinc/74/17/62/1191741762.db2.gz JORLUGIHKOLNML-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccnc(Cl)c1 ZINC001485373886 1191763318 /nfs/dbraw/zinc/76/33/18/1191763318.db2.gz YLVHMLNHJJWGRH-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cncc(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)c1 ZINC001485454666 1191791357 /nfs/dbraw/zinc/79/13/57/1191791357.db2.gz HQCWAFYCHGHHOZ-UHFFFAOYSA-N 2 0 332.492 2.250 10 0 EEAERP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001486218706 1193756735 /nfs/dbraw/zinc/75/67/35/1193756735.db2.gz ZYWGNINJSCFBOT-SJLPKXTDSA-N 2 0 339.499 2.343 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001486221549 1193759067 /nfs/dbraw/zinc/75/90/67/1193759067.db2.gz TUHBBKHLZVVLMG-QZTJIDSGSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001486449512 1193963994 /nfs/dbraw/zinc/96/39/94/1193963994.db2.gz HQWOGIGAXOUHOZ-IRXDYDNUSA-N 2 0 344.503 2.140 10 0 EEAERP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001486449147 1193964125 /nfs/dbraw/zinc/96/41/25/1193964125.db2.gz PWLRPFSQPIJBIZ-CVEARBPZSA-N 2 0 341.540 2.216 10 0 EEAERP C[C@@]12CN(C(=O)CC[C@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702054624 1195711412 /nfs/dbraw/zinc/71/14/12/1195711412.db2.gz YFWHQGRJFFCDRV-HFSMHLIXSA-N 2 0 341.499 2.357 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001410392893 1197793660 /nfs/dbraw/zinc/79/36/60/1197793660.db2.gz VALGWEWLAYPMTR-AEFFLSMTSA-N 2 0 332.492 2.199 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1C ZINC000872143742 1198053135 /nfs/dbraw/zinc/05/31/35/1198053135.db2.gz XAWLHLDVAOLXNT-MSOLQXFVSA-N 2 0 332.444 2.110 10 0 EEAERP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000872144516 1198054336 /nfs/dbraw/zinc/05/43/36/1198054336.db2.gz GWMCPTMCOQXIEB-MRXNPFEDSA-N 2 0 330.538 2.301 10 0 EEAERP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000872155010 1198062021 /nfs/dbraw/zinc/06/20/21/1198062021.db2.gz JMAKGMJGGYIRBY-ZFWWWQNUSA-N 2 0 332.444 2.144 10 0 EEAERP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155988 1198062223 /nfs/dbraw/zinc/06/22/23/1198062223.db2.gz BZRNINBQIDZIQK-HLLBOEOZSA-N 2 0 328.522 2.041 10 0 EEAERP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1)C1CCCC1 ZINC000872156118 1198062465 /nfs/dbraw/zinc/06/24/65/1198062465.db2.gz DYVANXDGPBBQGG-APWZRJJASA-N 2 0 344.503 2.317 10 0 EEAERP CCC[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872255938 1198113729 /nfs/dbraw/zinc/11/37/29/1198113729.db2.gz OVCMYMBFGPJNCJ-OKYOBFRVSA-N 2 0 343.471 2.437 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC(F)(F)C1)CC2 ZINC001410927058 1198591454 /nfs/dbraw/zinc/59/14/54/1198591454.db2.gz ZTAUDPWGONZLFL-DOTOQJQBSA-N 2 0 343.462 2.487 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001410945640 1198611671 /nfs/dbraw/zinc/61/16/71/1198611671.db2.gz QDMBKPDBPZBFDE-HUUCEWRRSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001410969704 1198647681 /nfs/dbraw/zinc/64/76/81/1198647681.db2.gz CNWIMWGTNCZJIN-ZBFHGGJFSA-N 2 0 327.488 2.293 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](Cc3cnc(C)o3)CC2)CC1 ZINC001411258596 1198990978 /nfs/dbraw/zinc/99/09/78/1198990978.db2.gz XOAGQNCRKATZAI-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000810174373 1199330819 /nfs/dbraw/zinc/33/08/19/1199330819.db2.gz SEVOBMKWYKWWSD-YJBOKZPZSA-N 2 0 325.472 2.286 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH+](C)C ZINC000870024037 1200412768 /nfs/dbraw/zinc/41/27/68/1200412768.db2.gz HYVKRMVIJHYIQQ-MXDZQPNWSA-N 2 0 347.547 2.401 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/CCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870024743 1200414440 /nfs/dbraw/zinc/41/44/40/1200414440.db2.gz IIKHZKXKTFUPFQ-LRHIHOEBSA-N 2 0 343.515 2.373 10 0 EEAERP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC[N@H+](CC(C)(C)O)C3)CC2)C1 ZINC000866414555 1201511182 /nfs/dbraw/zinc/51/11/82/1201511182.db2.gz PQAKTPAMOXXBMX-NZSAHSFTSA-N 2 0 337.552 2.464 10 0 EEAERP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709871 1201586012 /nfs/dbraw/zinc/58/60/12/1201586012.db2.gz MJNFBDMZCUDEJB-CAPXZKIUSA-N 2 0 335.835 2.268 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000868097908 1201742676 /nfs/dbraw/zinc/74/26/76/1201742676.db2.gz JZVAPPWBSZQOMY-XWTMOSNGSA-N 2 0 336.524 2.090 10 0 EEAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000883343524 1202050487 /nfs/dbraw/zinc/05/04/87/1202050487.db2.gz QDGNYLWWDVIFFX-INIZCTEOSA-N 2 0 328.460 2.478 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1F ZINC001274132432 1204393545 /nfs/dbraw/zinc/39/35/45/1204393545.db2.gz AIVFCWQNCIBMFP-LIMHQNJXSA-N 2 0 337.414 2.211 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274252967 1204977786 /nfs/dbraw/zinc/97/77/86/1204977786.db2.gz GQAVDLQGKIIZKV-SNAWJCMRSA-N 2 0 330.476 2.026 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOC(C)C)CC1 ZINC001274339085 1205002534 /nfs/dbraw/zinc/00/25/34/1205002534.db2.gz CHCPKOQTDLUVRV-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001274957442 1205219527 /nfs/dbraw/zinc/21/95/27/1205219527.db2.gz VAJBKNUDKOGPSN-CRAIPNDOSA-N 2 0 333.476 2.025 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001275003958 1205232038 /nfs/dbraw/zinc/23/20/38/1205232038.db2.gz HFERLKMUXZRXSM-SKJVMOOOSA-N 2 0 333.879 2.390 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275914899 1205583845 /nfs/dbraw/zinc/58/38/45/1205583845.db2.gz GOFSPWWTEJXBCQ-QZTJIDSGSA-N 2 0 333.451 2.345 10 0 EEAERP CN(CCC[NH2+]CC1CCC1)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001276123090 1205785680 /nfs/dbraw/zinc/78/56/80/1205785680.db2.gz VXMLZOAXUXERAZ-UHFFFAOYSA-N 2 0 327.432 2.119 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccnn1CC1CCC1 ZINC000924952636 1206054921 /nfs/dbraw/zinc/05/49/21/1206054921.db2.gz NUPFOOLDGHGKGP-DLBZAZTESA-N 2 0 333.524 2.217 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)cc2)CC1 ZINC000925312300 1206094248 /nfs/dbraw/zinc/09/42/48/1206094248.db2.gz HRFAGLPMOYGSBG-MAUKXSAKSA-N 2 0 345.491 2.043 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCN[C@@H]3C[C@@H]([NH3+])C34CCC4)CC2)c1 ZINC000925527924 1206123563 /nfs/dbraw/zinc/12/35/63/1206123563.db2.gz XJFIJSAYWXMKGZ-WOJBJXKFSA-N 2 0 342.531 2.367 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H]3CC[NH2+]C3(C)C)C2)c1 ZINC000925552628 1206127163 /nfs/dbraw/zinc/12/71/63/1206127163.db2.gz LJDYXTFKSTZXKY-KBXCAEBGSA-N 2 0 333.476 2.260 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925706108 1206144876 /nfs/dbraw/zinc/14/48/76/1206144876.db2.gz LFNHNHBZWCGFRE-RBUKOAKNSA-N 3 0 344.547 2.476 10 0 EEAERP CC1(C)[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714843 1206145593 /nfs/dbraw/zinc/14/55/93/1206145593.db2.gz XMTCXXYZQCCWQR-QYZOEREBSA-N 3 0 335.536 2.244 10 0 EEAERP C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792774 1206154502 /nfs/dbraw/zinc/15/45/02/1206154502.db2.gz HAGXXZBLWOHGRR-GOEBONIOSA-N 2 0 332.444 2.267 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925803284 1206155325 /nfs/dbraw/zinc/15/53/25/1206155325.db2.gz WUBRNYNVKADTJW-IRKLFDGPSA-N 2 0 328.522 2.100 10 0 EEAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000925848957 1206160188 /nfs/dbraw/zinc/16/01/88/1206160188.db2.gz LYPKGOCLQFRXOG-MRXNPFEDSA-N 2 0 333.476 2.184 10 0 EEAERP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849545 1206160458 /nfs/dbraw/zinc/16/04/58/1206160458.db2.gz PMBGCXUYNOYOTL-WBVHZDCISA-N 2 0 331.460 2.068 10 0 EEAERP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851422 1206160597 /nfs/dbraw/zinc/16/05/97/1206160597.db2.gz FABMEOWMFXDSTA-YOEHRIQHSA-N 2 0 332.444 2.421 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000926125037 1206195531 /nfs/dbraw/zinc/19/55/31/1206195531.db2.gz JUTJORBMHYNKKK-JQKXYWIWSA-N 3 0 343.515 2.073 10 0 EEAERP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926144978 1206198559 /nfs/dbraw/zinc/19/85/59/1206198559.db2.gz AHLJUFSRFZDSNZ-IRXDYDNUSA-N 2 0 346.500 2.034 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926157583 1206199649 /nfs/dbraw/zinc/19/96/49/1206199649.db2.gz YNIFSBCZMLKIIJ-SJORKVTESA-N 2 0 348.516 2.497 10 0 EEAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000926186194 1206202458 /nfs/dbraw/zinc/20/24/58/1206202458.db2.gz MFRYSTRKWYWTRJ-YVSFHVDLSA-N 2 0 346.500 2.203 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1)CC(C)C ZINC000930179819 1206539766 /nfs/dbraw/zinc/53/97/66/1206539766.db2.gz PYEYNRBNXVZORQ-SFHVURJKSA-N 2 0 326.525 2.342 10 0 EEAERP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602676 1206569830 /nfs/dbraw/zinc/56/98/30/1206569830.db2.gz WUMHYEYQXBBHEC-NEPJUHHUSA-N 2 0 330.341 2.353 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001412827756 1208510953 /nfs/dbraw/zinc/51/09/53/1208510953.db2.gz DOQIGWFLLBPTNP-MOPGFXCFSA-N 2 0 331.504 2.207 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903093771 1239717471 /nfs/dbraw/zinc/71/74/71/1239717471.db2.gz UPZMENZWYRYINL-VQTJNVASSA-N 2 0 346.471 2.199 10 0 EEAERP COCCN1CC[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383079914 1241368673 /nfs/dbraw/zinc/36/86/73/1241368673.db2.gz SVVQHIZQNVLLKZ-VQTJNVASSA-N 2 0 331.504 2.209 10 0 EEAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903757059 1241850456 /nfs/dbraw/zinc/85/04/56/1241850456.db2.gz BCSFQMOVFQQNME-VQTJNVASSA-N 2 0 328.456 2.058 10 0 EEAERP c1cc2c(cc1[C@H]([NH2+]C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C1CC1)OCCO2 ZINC000903757634 1241853669 /nfs/dbraw/zinc/85/36/69/1241853669.db2.gz FKTBXBMBVISCOB-NSISKUIASA-N 2 0 344.455 2.267 10 0 EEAERP COc1ccc(OC)c2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@@H]2O ZINC000903877639 1242283481 /nfs/dbraw/zinc/28/34/81/1242283481.db2.gz OHDQCLZIITVIPR-HUORLRHWSA-N 2 0 332.444 2.083 10 0 EEAERP Clc1ccc(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)s1 ZINC000903923614 1242515816 /nfs/dbraw/zinc/51/58/16/1242515816.db2.gz YLMPHHSDFFQYMU-LLVKDONJSA-N 2 0 325.869 2.250 10 0 EEAERP Cc1ccc(CN2CC[C@@H]([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000903925472 1242521411 /nfs/dbraw/zinc/52/14/11/1242521411.db2.gz FVOPAHMXFOIRII-XVLXNVKGSA-N 2 0 327.472 2.216 10 0 EEAERP C[C@@H]1C[N@H+](Cc2cc3c(cc2OC(F)F)OCO3)C[C@H]1CC[NH3+] ZINC000903976856 1242826556 /nfs/dbraw/zinc/82/65/56/1242826556.db2.gz FAIRAGPLBGOHND-GHMZBOCLSA-N 2 0 328.359 2.433 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCOCC1CCC1 ZINC001490978176 1258526871 /nfs/dbraw/zinc/52/68/71/1258526871.db2.gz XOKXRUPUBFICCF-IPQPSQTFSA-N 2 0 349.519 2.009 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001491109036 1258696830 /nfs/dbraw/zinc/69/68/30/1258696830.db2.gz XQOOFPCUYQNHIQ-WMZOPIPTSA-N 2 0 339.499 2.296 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2cnc(C)o2)C1 ZINC001491296266 1258912825 /nfs/dbraw/zinc/91/28/25/1258912825.db2.gz MWAOKXJSRRJNAE-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001491414610 1259058176 /nfs/dbraw/zinc/05/81/76/1259058176.db2.gz LRLWRXVFSZQFBH-RDJZCZTQSA-N 2 0 333.476 2.162 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001491456744 1259100762 /nfs/dbraw/zinc/10/07/62/1259100762.db2.gz JPTIPSXWYYMACH-YJBOKZPZSA-N 2 0 344.503 2.141 10 0 EEAERP CCc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001491456459 1259101512 /nfs/dbraw/zinc/10/15/12/1259101512.db2.gz XUEBKQQHPPKREM-SUMWQHHRSA-N 2 0 336.480 2.013 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476503 1278575582 /nfs/dbraw/zinc/57/55/82/1278575582.db2.gz QCFAFWOLWPMALU-KRWDZBQOSA-N 2 0 344.459 2.264 10 0 EEAERP Cc1csc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC001490902009 1287275898 /nfs/dbraw/zinc/27/58/98/1287275898.db2.gz JKYHFFMKENLSHI-RBSFLKMASA-N 2 0 336.505 2.063 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851674843 1277713681 /nfs/dbraw/zinc/71/36/81/1277713681.db2.gz KCOLMZPDPYJEND-LPHOPBHVSA-N 2 0 334.508 2.179 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001273652374 1282299742 /nfs/dbraw/zinc/29/97/42/1282299742.db2.gz BNTMGXLJYLQBGC-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001488770116 1290183247 /nfs/dbraw/zinc/18/32/47/1290183247.db2.gz DFUIRDBXMLAGLB-KCQAQPDRSA-N 2 0 339.430 2.462 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccnn1C ZINC001490348963 1291170328 /nfs/dbraw/zinc/17/03/28/1291170328.db2.gz LOQIELQLVOGWOK-SFHVURJKSA-N 2 0 349.523 2.011 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001490422768 1291334367 /nfs/dbraw/zinc/33/43/67/1291334367.db2.gz SLPVHUOPWOUMQC-AEFFLSMTSA-N 2 0 339.524 2.066 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001490563590 1291461138 /nfs/dbraw/zinc/46/11/38/1291461138.db2.gz SBPOEYSJGQBXQN-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001490739996 1291653644 /nfs/dbraw/zinc/65/36/44/1291653644.db2.gz OHYDCIYSMJLLSH-SFHVURJKSA-N 2 0 333.451 2.236 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760372 1292189486 /nfs/dbraw/zinc/18/94/86/1292189486.db2.gz DPBTXKOIYIUVSH-IAGOWNOFSA-N 2 0 326.868 2.416 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCn3ccnc3)C2)ccn1 ZINC000856585969 1293571024 /nfs/dbraw/zinc/57/10/24/1293571024.db2.gz NZORLYGLTBMPIU-IBGZPJMESA-N 2 0 343.475 2.273 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861630629 1295481621 /nfs/dbraw/zinc/48/16/21/1295481621.db2.gz UFZMBWJPAFMTGS-NSHGMRRFSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861702818 1295511878 /nfs/dbraw/zinc/51/18/78/1295511878.db2.gz YPSILZWWVYPWCT-WMZOPIPTSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1cc(C)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(C)c1 ZINC000863549861 1296329822 /nfs/dbraw/zinc/32/98/22/1296329822.db2.gz KEDHCDDOQBPALN-MOPGFXCFSA-N 2 0 343.471 2.369 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001491124847 1299609915 /nfs/dbraw/zinc/60/99/15/1299609915.db2.gz BQPSSNXOIKVCSI-QZTJIDSGSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001277046364 1301008079 /nfs/dbraw/zinc/00/80/79/1301008079.db2.gz PEUQEJWHGVIKBC-JYJNAYRXSA-N 2 0 335.517 2.117 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001277149093 1301515754 /nfs/dbraw/zinc/51/57/54/1301515754.db2.gz ZDHHDHLIWJFABR-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1ncc(C[NH2+]CCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)o1 ZINC001277314457 1302323312 /nfs/dbraw/zinc/32/33/12/1302323312.db2.gz QJTKKSDKXJGEMB-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001413819080 1303143675 /nfs/dbraw/zinc/14/36/75/1303143675.db2.gz QLWKSFJRSZTZJM-JQHSSLGASA-N 2 0 332.492 2.413 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2csc(C(C)C)n2)CC1 ZINC001118583153 1308890557 /nfs/dbraw/zinc/89/05/57/1308890557.db2.gz BUPCDZLVTRFXEG-UHFFFAOYSA-N 2 0 338.521 2.347 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@@H]1C ZINC001278314437 1309335325 /nfs/dbraw/zinc/33/53/25/1309335325.db2.gz DVBCZEPIBSDYLU-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C2CC2)C2CC[NH2+]CC2)cc(Cl)n1 ZINC000841847112 1315622105 /nfs/dbraw/zinc/62/21/05/1315622105.db2.gz ZJOVRXXSSIXVGM-HNNXBMFYSA-N 2 0 336.867 2.176 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(Cl)n1 ZINC000841851148 1315623175 /nfs/dbraw/zinc/62/31/75/1315623175.db2.gz GDWGJUDGGAUEPH-MRXNPFEDSA-N 2 0 344.846 2.353 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000841930439 1315640354 /nfs/dbraw/zinc/64/03/54/1315640354.db2.gz IUQLCWRSYLKTSD-AWEZNQCLSA-N 2 0 326.444 2.207 10 0 EEAERP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000842472318 1315711661 /nfs/dbraw/zinc/71/16/61/1315711661.db2.gz WKDHRAHTAGSVFT-CRAIPNDOSA-N 2 0 331.460 2.488 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCCc2ccccc2)C1 ZINC001278541989 1317188576 /nfs/dbraw/zinc/18/85/76/1317188576.db2.gz DWHDFCMWAMOVRI-HXUWFJFHSA-N 2 0 331.504 2.399 10 0 EEAERP C[C@H]([NH2+]Cc1nccs1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038057 1319059581 /nfs/dbraw/zinc/05/95/81/1319059581.db2.gz DNBJVNISDWJLFG-LSDHHAIUSA-N 2 0 338.521 2.202 10 0 EEAERP COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001263920953 1322554716 /nfs/dbraw/zinc/55/47/16/1322554716.db2.gz BACTXRIWPBHQBC-KSZLIROESA-N 2 0 339.524 2.160 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001264157921 1322644786 /nfs/dbraw/zinc/64/47/86/1322644786.db2.gz YCBQODVCZDWFTM-MHORFTMASA-N 2 0 339.524 2.112 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001264721129 1322792588 /nfs/dbraw/zinc/79/25/88/1322792588.db2.gz GSMNXNRZBZWUSS-KURKYZTESA-N 2 0 339.524 2.257 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264755334 1322810363 /nfs/dbraw/zinc/81/03/63/1322810363.db2.gz NQPKOSSQTHCALV-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001265091476 1322915827 /nfs/dbraw/zinc/91/58/27/1322915827.db2.gz GZIVOBJFPOOAIG-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1c(C)nsc1C ZINC001265145881 1322947701 /nfs/dbraw/zinc/94/77/01/1322947701.db2.gz DLQRQODXYMNRPG-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@@H](F)CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265167547 1322961922 /nfs/dbraw/zinc/96/19/22/1322961922.db2.gz SMRWHIKJSZVMCV-OAHLLOKOSA-N 2 0 325.472 2.334 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCOc3ccccc3)C2)CC[N@@H+]1C ZINC001265540478 1323212124 /nfs/dbraw/zinc/21/21/24/1323212124.db2.gz RXPIBDMLGDBIKJ-VXIBKDFQSA-N 2 0 345.487 2.033 10 0 EEAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265623857 1323275643 /nfs/dbraw/zinc/27/56/43/1323275643.db2.gz FZIANHFVCDMTET-MAUKXSAKSA-N 2 0 327.488 2.437 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702655 1323336870 /nfs/dbraw/zinc/33/68/70/1323336870.db2.gz GKGKQYCDOAKOOI-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001265734004 1323355239 /nfs/dbraw/zinc/35/52/39/1323355239.db2.gz KPDNXXDRJCJADR-DAWZGUTISA-N 2 0 339.524 2.301 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001265925301 1323491016 /nfs/dbraw/zinc/49/10/16/1323491016.db2.gz OOAPIXFAJCYECT-IBGZPJMESA-N 2 0 331.504 2.454 10 0 EEAERP COCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266063627 1323617811 /nfs/dbraw/zinc/61/78/11/1323617811.db2.gz MATRPGXCCVPUNP-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cc(C)no1 ZINC001266092241 1323652624 /nfs/dbraw/zinc/65/26/24/1323652624.db2.gz NKHALIPNXZUEQS-AEFFLSMTSA-N 2 0 348.491 2.328 10 0 EEAERP COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266099796 1323663361 /nfs/dbraw/zinc/66/33/61/1323663361.db2.gz MUPPUPCJUCLPHR-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001279307433 1323869828 /nfs/dbraw/zinc/86/98/28/1323869828.db2.gz HUMJVLBIFFXHJE-WAYWQWQTSA-N 2 0 337.508 2.033 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001280733135 1324453933 /nfs/dbraw/zinc/45/39/33/1324453933.db2.gz NABQZSMDWMAMCK-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP COCCCC[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001282015880 1325571748 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ZINC001493254987 1331186080 /nfs/dbraw/zinc/18/60/80/1331186080.db2.gz ZYKPLKDTDMFRKI-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001316862852 1331711133 /nfs/dbraw/zinc/71/11/33/1331711133.db2.gz XNIYCPWYAVVTOK-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP C[C@H]1CC[C@H](C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)O1 ZINC001316935820 1332001335 /nfs/dbraw/zinc/00/13/35/1332001335.db2.gz PLSGVAKEKHLXIR-FUHWJXTLSA-N 2 0 339.524 2.209 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001316950134 1332011203 /nfs/dbraw/zinc/01/12/03/1332011203.db2.gz JFTASRKQNLSXJP-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001317154197 1332102502 /nfs/dbraw/zinc/10/25/02/1332102502.db2.gz UMOPBXKEVIXUKS-MRXNPFEDSA-N 2 0 325.472 2.050 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCc1ccccc1 ZINC001317280656 1332163517 /nfs/dbraw/zinc/16/35/17/1332163517.db2.gz MCOBVWZCRKRHKI-SFHVURJKSA-N 2 0 331.504 2.445 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCc1ccccc1 ZINC001317280655 1332163649 /nfs/dbraw/zinc/16/36/49/1332163649.db2.gz MCOBVWZCRKRHKI-GOSISDBHSA-N 2 0 331.504 2.445 10 0 EEAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317355190 1332192292 /nfs/dbraw/zinc/19/22/92/1332192292.db2.gz DVUJABRUPXEQLM-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001317366533 1332197670 /nfs/dbraw/zinc/19/76/70/1332197670.db2.gz OHMMOYJRRDFTIF-RTBURBONSA-N 2 0 329.488 2.472 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cc(C)on1)[NH+](C)C ZINC001317436637 1332239881 /nfs/dbraw/zinc/23/98/81/1332239881.db2.gz ZGBAJTYHUKTLFZ-IRXDYDNUSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC001317589616 1332312095 /nfs/dbraw/zinc/31/20/95/1332312095.db2.gz RDPYYVXSQFTMDX-IUODEOHRSA-N 2 0 341.858 2.367 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001317621520 1332332241 /nfs/dbraw/zinc/33/22/41/1332332241.db2.gz ACKSHBGSNFLHNS-IRXDYDNUSA-N 2 0 346.519 2.483 10 0 EEAERP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001318483071 1332548244 /nfs/dbraw/zinc/54/82/44/1332548244.db2.gz AUFANVZAGICJBT-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](CC[NH2+]Cc2cscn2)C1 ZINC001318825992 1332605521 /nfs/dbraw/zinc/60/55/21/1332605521.db2.gz LOODRCBTBXEBPI-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001318929054 1332625476 /nfs/dbraw/zinc/62/54/76/1332625476.db2.gz NJBKFEQRAKXPKH-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001319102568 1332649708 /nfs/dbraw/zinc/64/97/08/1332649708.db2.gz CYFYHCXEZNIIPK-MGPQQGTHSA-N 2 0 348.318 2.245 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001319130388 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QUMRAXCSDAVEJJ-YKYPQYBISA-N 2 0 327.472 2.276 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C/C[NH2+]C/C=C\Cl)C1 ZINC001321252612 1333055991 /nfs/dbraw/zinc/05/59/91/1333055991.db2.gz VUUWLYFELVIKIP-YBPBBDDSSA-N 2 0 331.863 2.213 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442103 1333264221 /nfs/dbraw/zinc/26/42/21/1333264221.db2.gz IYTOSRGKJUUNBF-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCc2ccccc2F)C1 ZINC001322694304 1333308715 /nfs/dbraw/zinc/30/87/15/1333308715.db2.gz PABPMFYIBSTTCK-MRXNPFEDSA-N 2 0 335.467 2.148 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001323490954 1333475547 /nfs/dbraw/zinc/47/55/47/1333475547.db2.gz YAQAPYJGSSTLFM-UHFFFAOYSA-N 2 0 325.416 2.086 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH+](CCOCC)C1 ZINC001323641871 1333506602 /nfs/dbraw/zinc/50/66/02/1333506602.db2.gz LGBBOYHXWACGQB-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001324333465 1333660323 /nfs/dbraw/zinc/66/03/23/1333660323.db2.gz GATCEYBLSRDDDY-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccn1C ZINC001675986433 1357082048 /nfs/dbraw/zinc/08/20/48/1357082048.db2.gz UPFZPNAWVSBXSK-IAGOWNOFSA-N 2 0 349.523 2.058 10 0 EEAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001324799868 1333762758 /nfs/dbraw/zinc/76/27/58/1333762758.db2.gz XJQNOVMTFZVPIW-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001413847019 1333853575 /nfs/dbraw/zinc/85/35/75/1333853575.db2.gz IDPUTBBYJIXQGF-QYZOEREBSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001325533867 1333905731 /nfs/dbraw/zinc/90/57/31/1333905731.db2.gz ZXPDNIVDOCXKKP-PWZNUNQRSA-N 2 0 325.884 2.051 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CCc3cccs3)C2)CC1 ZINC001326350269 1334073849 /nfs/dbraw/zinc/07/38/49/1334073849.db2.gz QJKUUBQUXFWCOU-INIZCTEOSA-N 2 0 349.544 2.461 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001326411160 1334087699 /nfs/dbraw/zinc/08/76/99/1334087699.db2.gz IVKATDFAHAXPSP-SFHVURJKSA-N 2 0 333.520 2.347 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001327148784 1334234779 /nfs/dbraw/zinc/23/47/79/1334234779.db2.gz VLWZYXAVROQMBZ-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCC[NH2+]Cc1coc(C2CC2)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330767124 1334898466 /nfs/dbraw/zinc/89/84/66/1334898466.db2.gz CDKLVKFPEZWYJT-CZUORRHYSA-N 2 0 334.464 2.021 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccnc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330899980 1334924084 /nfs/dbraw/zinc/92/40/84/1334924084.db2.gz NCNYTWZIGAWSMD-BQFCYCMXSA-N 2 0 332.492 2.186 10 0 EEAERP CCOCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001332118706 1335734990 /nfs/dbraw/zinc/73/49/90/1335734990.db2.gz PKCHBSGYULBZJP-HKUYNNGSSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCCC(F)(F)F)C2)CC[N@@H+]1C ZINC001480110354 1337878669 /nfs/dbraw/zinc/87/86/69/1337878669.db2.gz PMFPKGXAWQTUKV-HZSPNIEDSA-N 2 0 335.414 2.250 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC001434802312 1341945342 /nfs/dbraw/zinc/94/53/42/1341945342.db2.gz NOHHMMIYRDUDRP-WMZOPIPTSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H]1[C@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC001434802307 1341945478 /nfs/dbraw/zinc/94/54/78/1341945478.db2.gz NOHHMMIYRDUDRP-FUHWJXTLSA-N 2 0 344.503 2.433 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCc1ccc(OC)cc1)[NH+](C)C ZINC001436329646 1342032785 /nfs/dbraw/zinc/03/27/85/1342032785.db2.gz MQSFTQPBHWQXBZ-IEBWSBKVSA-N 2 0 347.503 2.111 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC001436390237 1342067528 /nfs/dbraw/zinc/06/75/28/1342067528.db2.gz LXMFXPFEQKTUOE-SAABIXHNSA-N 2 0 340.471 2.171 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001566630615 1342585845 /nfs/dbraw/zinc/58/58/45/1342585845.db2.gz SFUFKESATOGWRO-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001566768709 1342627290 /nfs/dbraw/zinc/62/72/90/1342627290.db2.gz JVDIMKCGONGGSY-CWDCEQMOSA-N 2 0 339.443 2.428 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001566908264 1342649993 /nfs/dbraw/zinc/64/99/93/1342649993.db2.gz KDZCCOJZOZXAPR-MRXNPFEDSA-N 2 0 337.533 2.461 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676019067 1357090491 /nfs/dbraw/zinc/09/04/91/1357090491.db2.gz ZQYSMCFLZITXKC-DOMZBBRYSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569984016 1342988128 /nfs/dbraw/zinc/98/81/28/1342988128.db2.gz NRLNFZJSHPNISV-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCCC(C)(C)C)C1 ZINC001570292914 1343051820 /nfs/dbraw/zinc/05/18/20/1343051820.db2.gz QSJGWUYCTQEBCS-IBGZPJMESA-N 2 0 341.540 2.098 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001570387076 1343063404 /nfs/dbraw/zinc/06/34/04/1343063404.db2.gz CRCNPBOUFKIHDO-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCCCF ZINC001570446816 1343071875 /nfs/dbraw/zinc/07/18/75/1343071875.db2.gz ZELWIOBESRAQIF-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001571459405 1343212740 /nfs/dbraw/zinc/21/27/40/1343212740.db2.gz DCKCDLAGCBZFDQ-WBVHZDCISA-N 2 0 339.443 2.426 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001677051936 1357270975 /nfs/dbraw/zinc/27/09/75/1357270975.db2.gz JDFDQUBUXZMTJQ-GJZGRUSLSA-N 2 0 347.425 2.275 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677262713 1357303193 /nfs/dbraw/zinc/30/31/93/1357303193.db2.gz BUXJFEFHDFDMRH-DLBZAZTESA-N 2 0 341.540 2.406 10 0 EEAERP CC[C@@H](C[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1)OC ZINC001677575222 1357360476 /nfs/dbraw/zinc/36/04/76/1357360476.db2.gz UQDFKXRWYNDAAR-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001645944742 1352810496 /nfs/dbraw/zinc/81/04/96/1352810496.db2.gz GNEDPFRJDOMCSC-IXDOHACOSA-N 2 0 336.455 2.244 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@@H]3CCCC[C@H]3[NH3+])CCCC2)CC1 ZINC001647248742 1353206562 /nfs/dbraw/zinc/20/65/62/1353206562.db2.gz LVNDCWSLKNDAQS-IAGOWNOFSA-N 2 0 337.508 2.044 10 0 EEAERP CN(C)c1ncccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001647281752 1353217495 /nfs/dbraw/zinc/21/74/95/1353217495.db2.gz DWBWJFXSOWQVGW-UHFFFAOYSA-N 2 0 332.492 2.128 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001649314789 1353474410 /nfs/dbraw/zinc/47/44/10/1353474410.db2.gz UDPNVTLQAFMTNU-OKZBNKHCSA-N 2 0 348.535 2.377 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001649439911 1353505976 /nfs/dbraw/zinc/50/59/76/1353505976.db2.gz JKZSJQITDXSPMY-WGLAMXGCSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001649465466 1353520183 /nfs/dbraw/zinc/52/01/83/1353520183.db2.gz XRJDBYMVJDVTDC-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001656880794 1354291767 /nfs/dbraw/zinc/29/17/67/1354291767.db2.gz LNKQUXKCVVPOPJ-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657043223 1354311880 /nfs/dbraw/zinc/31/18/80/1354311880.db2.gz BKFOKZIMNMUYJU-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1F)[NH+](C)C ZINC001660305418 1354435385 /nfs/dbraw/zinc/43/53/85/1354435385.db2.gz LERPGINKCVAMQI-HNNXBMFYSA-N 2 0 327.419 2.243 10 0 EEAERP O=C(NCCCN(Cc1ccon1)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001660731470 1354527814 /nfs/dbraw/zinc/52/78/14/1354527814.db2.gz DYIUGVJDJPNLAU-MSOLQXFVSA-N 2 0 346.475 2.162 10 0 EEAERP Cc1oncc1C[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001660752587 1354531446 /nfs/dbraw/zinc/53/14/46/1354531446.db2.gz BQQOIDNLWZAKQW-HUUCEWRRSA-N 2 0 348.491 2.327 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001661427304 1354637524 /nfs/dbraw/zinc/63/75/24/1354637524.db2.gz SILAJVVFWXAHJK-VAMGGRTRSA-N 2 0 341.499 2.198 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001662675376 1354824340 /nfs/dbraw/zinc/82/43/40/1354824340.db2.gz KYUPFAJYBOKSHA-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCOC(C)C)C1 ZINC001662728655 1354833066 /nfs/dbraw/zinc/83/30/66/1354833066.db2.gz RKCAOLMDXFXICO-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001663071456 1354907596 /nfs/dbraw/zinc/90/75/96/1354907596.db2.gz DAXILBAQVCTKFO-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP COc1cccc(/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001663856123 1355043735 /nfs/dbraw/zinc/04/37/35/1355043735.db2.gz QAUZDQOIPMWSBD-KYLNKMBASA-N 2 0 345.487 2.241 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664111274 1355095565 /nfs/dbraw/zinc/09/55/65/1355095565.db2.gz DZVJLDLDTJOAOJ-UHFFFAOYSA-N 2 0 349.523 2.195 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001666092913 1355448348 /nfs/dbraw/zinc/44/83/48/1355448348.db2.gz KMOMHKPZAIXYHR-IEBWSBKVSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCCF)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001667183345 1355667756 /nfs/dbraw/zinc/66/77/56/1355667756.db2.gz OQNRWDTXSHNIDP-GUYCJALGSA-N 2 0 332.423 2.443 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667301744 1355703837 /nfs/dbraw/zinc/70/38/37/1355703837.db2.gz JLWQXRRUSUFKDU-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001668059899 1355859525 /nfs/dbraw/zinc/85/95/25/1355859525.db2.gz KXGDDXKKDWDMFD-DZGCQCFKSA-N 2 0 331.451 2.389 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001668468893 1355946647 /nfs/dbraw/zinc/94/66/47/1355946647.db2.gz JHDMAOKOIZAVNB-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668575015 1355966033 /nfs/dbraw/zinc/96/60/33/1355966033.db2.gz PJKRTGIEYSISEX-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668575017 1355966061 /nfs/dbraw/zinc/96/60/61/1355966061.db2.gz PJKRTGIEYSISEX-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cncc(C)c1 ZINC001668852932 1356022600 /nfs/dbraw/zinc/02/26/00/1356022600.db2.gz AYEGTBTZPLZBIQ-SHCNBLLESA-N 2 0 330.476 2.026 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863898 1356026971 /nfs/dbraw/zinc/02/69/71/1356026971.db2.gz AFFMXRGEUWHGET-HXHJPBPVSA-N 2 0 325.472 2.404 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001669000848 1356065554 /nfs/dbraw/zinc/06/55/54/1356065554.db2.gz GEEYRSASFGTWDD-WAYWQWQTSA-N 2 0 329.488 2.407 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001669020905 1356070031 /nfs/dbraw/zinc/07/00/31/1356070031.db2.gz LPDOMPFDOICLFI-ONEGZZNKSA-N 2 0 327.831 2.193 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]CC[C@H]2CCCO2)ccc2c[nH+]cn21 ZINC001670157572 1356287116 /nfs/dbraw/zinc/28/71/16/1356287116.db2.gz AOBAZVAJIXYABZ-QGZVFWFLSA-N 2 0 344.459 2.264 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001670223303 1356299412 /nfs/dbraw/zinc/29/94/12/1356299412.db2.gz GYMJSVOUXJFYMF-HOCLYGCPSA-N 2 0 348.491 2.220 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671548466 1356360409 /nfs/dbraw/zinc/36/04/09/1356360409.db2.gz MFYKCTITQFDCJR-DLBZAZTESA-N 2 0 327.488 2.343 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001671898990 1356434229 /nfs/dbraw/zinc/43/42/29/1356434229.db2.gz WJBPBFGVJNXLTF-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001672335002 1356503768 /nfs/dbraw/zinc/50/37/68/1356503768.db2.gz SRENYKHOEKJZLA-KIKKHNSFSA-N 2 0 341.499 2.480 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCC1CCOCC1 ZINC001674187966 1356803908 /nfs/dbraw/zinc/80/39/08/1356803908.db2.gz AVTPMRFQBGCDOO-LZLYRXPVSA-N 2 0 339.524 2.018 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001674451109 1356837003 /nfs/dbraw/zinc/83/70/03/1356837003.db2.gz YDNIOPIEZWOUFE-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]([NH2+]CC1CCCC1)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675620886 1357017432 /nfs/dbraw/zinc/01/74/32/1357017432.db2.gz GPKIBRZGAPCVHC-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001675819274 1357052327 /nfs/dbraw/zinc/05/23/27/1357052327.db2.gz QQHCBFVFMLNMSM-GUDVDZBRSA-N 2 0 329.488 2.055 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2nocc2C)CC1 ZINC001698700826 1405018968 /nfs/dbraw/zinc/01/89/68/1405018968.db2.gz CRYTZVNCJGWADW-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001698889657 1405131838 /nfs/dbraw/zinc/13/18/38/1405131838.db2.gz BESDFYAUVZVKHV-MJGOQNOKSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699114560 1405269210 /nfs/dbraw/zinc/26/92/10/1405269210.db2.gz HZKFLHRQLCWUBD-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131312 1405283335 /nfs/dbraw/zinc/28/33/35/1405283335.db2.gz LTCSBYKRZFFIND-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)on1 ZINC001699545512 1405380278 /nfs/dbraw/zinc/38/02/78/1405380278.db2.gz SUEDLRTVHIMEQT-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699551863 1405388291 /nfs/dbraw/zinc/38/82/91/1405388291.db2.gz WFIFBTBJMYPWQO-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001699757655 1405468657 /nfs/dbraw/zinc/46/86/57/1405468657.db2.gz AVKFZQOBFDRXRN-OAHLLOKOSA-N 2 0 339.430 2.040 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001699796496 1405489487 /nfs/dbraw/zinc/48/94/87/1405489487.db2.gz NXXRACLOACRPBW-SFHVURJKSA-N 2 0 339.524 2.018 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCOCC1 ZINC001699885438 1405551952 /nfs/dbraw/zinc/55/19/52/1405551952.db2.gz FJTJBKSIUWGQHD-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000921175571 770985870 /nfs/dbraw/zinc/98/58/70/770985870.db2.gz ZORFBBMFYODMSL-DAXOMENPSA-N 2 0 338.883 2.335 10 0 EEAERP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)O1 ZINC000925828969 778789061 /nfs/dbraw/zinc/78/90/61/778789061.db2.gz KXZFOHYAXWPZKC-KHMAMNHCSA-N 2 0 336.398 2.233 10 0 EEAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CC[N@H+](Cc2ccccc2)C1 ZINC000907960078 784988873 /nfs/dbraw/zinc/98/88/73/784988873.db2.gz LCOWPALXPSKGME-IBGZPJMESA-N 2 0 327.472 2.111 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000819060912 785382328 /nfs/dbraw/zinc/38/23/28/785382328.db2.gz JAMCLNQIWVJBDH-IBGZPJMESA-N 2 0 337.483 2.175 10 0 EEAERP COc1ccc(OC)c2c1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@H]2O ZINC000923301533 789337058 /nfs/dbraw/zinc/33/70/58/789337058.db2.gz KPXBIVWUCNHWOY-UCMJJCQDSA-N 2 0 346.471 2.474 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923327701 789371022 /nfs/dbraw/zinc/37/10/22/789371022.db2.gz HJAVSEKVVRSSBX-HLIPFELVSA-N 2 0 348.487 2.289 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923322900 789380968 /nfs/dbraw/zinc/38/09/68/789380968.db2.gz BTVPTFVKMYFUSB-FQEVSTJZSA-N 3 0 343.515 2.209 10 0 EEAERP CN(C[C@H]1CC2(C[NH2+]C2)CO1)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000923417224 789508558 /nfs/dbraw/zinc/50/85/58/789508558.db2.gz VLEUKLKYLIQIHT-WOJBJXKFSA-N 2 0 343.515 2.351 10 0 EEAERP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455416 789572037 /nfs/dbraw/zinc/57/20/37/789572037.db2.gz LQHRQHVBNCZXMO-AEFFLSMTSA-N 2 0 345.487 2.036 10 0 EEAERP CCc1cccc(C)c1NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453602 789586800 /nfs/dbraw/zinc/58/68/00/789586800.db2.gz BKAVAIZFWGBLMY-KRWDZBQOSA-N 2 0 345.487 2.326 10 0 EEAERP CCc1cccc(C)c1NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453603 789587436 /nfs/dbraw/zinc/58/74/36/789587436.db2.gz BKAVAIZFWGBLMY-QGZVFWFLSA-N 2 0 345.487 2.326 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000846178733 790080365 /nfs/dbraw/zinc/08/03/65/790080365.db2.gz XTKHWJBANLIUNN-SFHVURJKSA-N 2 0 332.492 2.151 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccnc1 ZINC000916978873 798008271 /nfs/dbraw/zinc/00/82/71/798008271.db2.gz GYXIMRFDWJXBKO-SFHVURJKSA-N 2 0 347.507 2.248 10 0 EEAERP CC(C)[C@@H](C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773090 808209452 /nfs/dbraw/zinc/20/94/52/808209452.db2.gz OSAPUQSHIUSEKC-IRXDYDNUSA-N 2 0 326.481 2.149 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C[C@H]1CCCCO1)C1CC1 ZINC001566590451 1125780433 /nfs/dbraw/zinc/78/04/33/1125780433.db2.gz OULCFSNSKOSGOQ-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001436419688 1087780978 /nfs/dbraw/zinc/78/09/78/1087780978.db2.gz TZICDLMNSFNFGR-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001436424075 1087789434 /nfs/dbraw/zinc/78/94/34/1087789434.db2.gz NIRAUZXHDSPDLL-QXAKKESOSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001436728355 1088195559 /nfs/dbraw/zinc/19/55/59/1088195559.db2.gz BVAPDUFHYMBVEP-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001436824296 1088426313 /nfs/dbraw/zinc/42/63/13/1088426313.db2.gz CSUOGEMIIMEMFO-JSGCOSHPSA-N 2 0 341.908 2.338 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001437131350 1089119160 /nfs/dbraw/zinc/11/91/60/1089119160.db2.gz ODOGZXNRRHZYIW-YWZLYKJASA-N 2 0 341.499 2.111 10 0 EEAERP Cc1conc1CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001437181894 1089213540 /nfs/dbraw/zinc/21/35/40/1089213540.db2.gz OETMVJRQZAHOPX-OAHLLOKOSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437326000 1089495470 /nfs/dbraw/zinc/49/54/70/1089495470.db2.gz SFHUKZPXTQJFCO-ROUUACIJSA-N 2 0 332.492 2.247 10 0 EEAERP CCc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2CC)o1 ZINC001437425602 1089713210 /nfs/dbraw/zinc/71/32/10/1089713210.db2.gz FVSYGUNJAPXFQY-ZBFHGGJFSA-N 2 0 336.480 2.096 10 0 EEAERP CC[N@H+](CCNC(=O)Cc1[nH]cnc1C)Cc1ccc(F)c(F)c1 ZINC001437640343 1090159168 /nfs/dbraw/zinc/15/91/68/1090159168.db2.gz MXZLIPYMLUDGBV-UHFFFAOYSA-N 2 0 336.386 2.177 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001437671355 1090198641 /nfs/dbraw/zinc/19/86/41/1090198641.db2.gz JUFCWBRZCIVSGV-HUUCEWRRSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1cccc(C)c1C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001437816831 1090409820 /nfs/dbraw/zinc/40/98/20/1090409820.db2.gz DODCVCNQFBRIBM-UHFFFAOYSA-N 2 0 329.488 2.480 10 0 EEAERP C[N@H+](CCCF)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001437995359 1090596031 /nfs/dbraw/zinc/59/60/31/1090596031.db2.gz ZXKRNXTXRPVTKD-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1cccc(CCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)c1 ZINC001438173072 1090682307 /nfs/dbraw/zinc/68/23/07/1090682307.db2.gz FMFGKZNXXVHPHJ-OALUTQOASA-N 2 0 329.488 2.164 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccnn1C ZINC001438334877 1090809785 /nfs/dbraw/zinc/80/97/85/1090809785.db2.gz UMJFZBLYGQLAID-HNNXBMFYSA-N 2 0 349.523 2.058 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438415039 1090907701 /nfs/dbraw/zinc/90/77/01/1090907701.db2.gz NRTLJXALKXNGLW-QUCCMNQESA-N 2 0 344.503 2.329 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001438484810 1090986996 /nfs/dbraw/zinc/98/69/96/1090986996.db2.gz CBYXUWBNXQQIKY-JXFKEZNVSA-N 2 0 343.515 2.487 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2cc(C)ns2)CC[N@@H+]1C ZINC001438493208 1090991898 /nfs/dbraw/zinc/99/18/98/1090991898.db2.gz PEHTWZGEQYAVRF-VBNZEHGJSA-N 2 0 338.521 2.024 10 0 EEAERP C[C@@H](C[N@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)C[NH+]1CCCC1 ZINC001445865762 1091786990 /nfs/dbraw/zinc/78/69/90/1091786990.db2.gz GSFPTXAXXLCRNO-KSSFIOAISA-N 2 0 333.451 2.345 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(OC)c2)C1 ZINC001439146081 1091788970 /nfs/dbraw/zinc/78/89/70/1091788970.db2.gz BXQBJPDCYYTABD-SJLPKXTDSA-N 2 0 347.503 2.412 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2ccc3c(c2)CCC3)C1 ZINC001446091736 1092117342 /nfs/dbraw/zinc/11/73/42/1092117342.db2.gz DZEGPAYSPTZZEK-OXQOHEQNSA-N 2 0 341.499 2.208 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001439378597 1092120930 /nfs/dbraw/zinc/12/09/30/1092120930.db2.gz LLZHEWJKYFPORX-IAGOWNOFSA-N 2 0 327.513 2.111 10 0 EEAERP Cc1ccc(CC[NH2+]C2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC001446168262 1092222447 /nfs/dbraw/zinc/22/24/47/1092222447.db2.gz QKKMDTFCSUPHCZ-LJQANCHMSA-N 2 0 341.499 2.118 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001446182014 1092254867 /nfs/dbraw/zinc/25/48/67/1092254867.db2.gz AJIHCZOGJMZSQF-MRXNPFEDSA-N 2 0 325.472 2.191 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001439692997 1092641600 /nfs/dbraw/zinc/64/16/00/1092641600.db2.gz AKOSAQNMXVYAOU-CALCHBBNSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001439801078 1092757563 /nfs/dbraw/zinc/75/75/63/1092757563.db2.gz AYVSUCGYNLKJDG-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439864257 1092895598 /nfs/dbraw/zinc/89/55/98/1092895598.db2.gz GQVGTKUTAIJLHE-YJBOKZPZSA-N 2 0 335.517 2.479 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCC2CC2)CCC1(F)F ZINC001439971819 1093088328 /nfs/dbraw/zinc/08/83/28/1093088328.db2.gz HCYWIYAEHZORFF-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001448447903 1093458573 /nfs/dbraw/zinc/45/85/73/1093458573.db2.gz KXNZDBVUBKHWNC-TVFCKZIOSA-N 2 0 339.499 2.295 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001440339258 1093484956 /nfs/dbraw/zinc/48/49/56/1093484956.db2.gz JLXADQMGRFIAGO-BZUAXINKSA-N 2 0 325.472 2.095 10 0 EEAERP Cc1oncc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001440340250 1093484972 /nfs/dbraw/zinc/48/49/72/1093484972.db2.gz IOSMISWAWNWRMG-IRXDYDNUSA-N 2 0 346.475 2.128 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001440447188 1093657954 /nfs/dbraw/zinc/65/79/54/1093657954.db2.gz FXFZGINADLARFQ-SQNIBIBYSA-N 2 0 339.499 2.247 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001440500931 1093742545 /nfs/dbraw/zinc/74/25/45/1093742545.db2.gz MKWLUVNIOYKWCP-SQNIBIBYSA-N 2 0 339.524 2.255 10 0 EEAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001440516269 1093765064 /nfs/dbraw/zinc/76/50/64/1093765064.db2.gz AIONXRDPJICCRX-UVCVVPOWSA-N 2 0 325.884 2.148 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001448724955 1093796436 /nfs/dbraw/zinc/79/64/36/1093796436.db2.gz GTRNENGNJAGBQY-DLBZAZTESA-N 2 0 349.523 2.104 10 0 EEAERP CCC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440540388 1093807732 /nfs/dbraw/zinc/80/77/32/1093807732.db2.gz SVOJQCSFICANSB-QGZVFWFLSA-N 2 0 349.519 2.012 10 0 EEAERP CCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440541603 1093810410 /nfs/dbraw/zinc/81/04/10/1093810410.db2.gz ZTRGZAMCDLAFCG-SJORKVTESA-N 2 0 349.519 2.011 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001448792444 1093870325 /nfs/dbraw/zinc/87/03/25/1093870325.db2.gz VCVSPGJHRIQSTP-KSSFIOAISA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001440611493 1093877540 /nfs/dbraw/zinc/87/75/40/1093877540.db2.gz ZQDSDYIDRRLXHJ-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2 ZINC001449014666 1094017817 /nfs/dbraw/zinc/01/78/17/1094017817.db2.gz OPAGBRSYRLHJLB-QUCCMNQESA-N 2 0 329.488 2.294 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001449046412 1094061781 /nfs/dbraw/zinc/06/17/81/1094061781.db2.gz CNFWVGHSJBHDBA-CABCVRRESA-N 2 0 338.521 2.086 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)o1 ZINC001449066439 1094082163 /nfs/dbraw/zinc/08/21/63/1094082163.db2.gz SCLLFELVCCHZQM-HZPDHXFCSA-N 2 0 336.480 2.006 10 0 EEAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC001449087360 1094100387 /nfs/dbraw/zinc/10/03/87/1094100387.db2.gz UHRQFMZHRPGQFV-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001440941701 1094193970 /nfs/dbraw/zinc/19/39/70/1094193970.db2.gz VPTCHTLEXPBXHZ-MRXNPFEDSA-N 2 0 347.503 2.254 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1conc1C ZINC001440980023 1094242602 /nfs/dbraw/zinc/24/26/02/1094242602.db2.gz BUTLAPZYYDALND-RDJZCZTQSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001440995504 1094263638 /nfs/dbraw/zinc/26/36/38/1094263638.db2.gz FPECERCOBCUPAC-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001449311103 1094265023 /nfs/dbraw/zinc/26/50/23/1094265023.db2.gz SAQRJBQZPIKGLI-LSDHHAIUSA-N 2 0 327.488 2.483 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CCCC2)C1 ZINC001449373170 1094342223 /nfs/dbraw/zinc/34/22/23/1094342223.db2.gz WBBAXYJHVAJRNT-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001449376761 1094347200 /nfs/dbraw/zinc/34/72/00/1094347200.db2.gz YRFGHYSKBDWYSC-HNNXBMFYSA-N 2 0 335.467 2.494 10 0 EEAERP COC[C@@H](C)[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001441104057 1094411189 /nfs/dbraw/zinc/41/11/89/1094411189.db2.gz TVNQKQWHFJWSGC-MRXNPFEDSA-N 2 0 341.540 2.408 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cnc(C)nc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441112894 1094428570 /nfs/dbraw/zinc/42/85/70/1094428570.db2.gz DATLUKITIZIDSK-QZTJIDSGSA-N 2 0 347.507 2.034 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2conc2C)C2CC2)C1 ZINC001441246697 1094637220 /nfs/dbraw/zinc/63/72/20/1094637220.db2.gz LPMAHJJBELMQSH-SJLPKXTDSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001441417213 1095000817 /nfs/dbraw/zinc/00/08/17/1095000817.db2.gz KUFRTZZPGIFVQR-GOSISDBHSA-N 2 0 332.492 2.106 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCCF)CC[C@@H]21 ZINC001441478234 1095147026 /nfs/dbraw/zinc/14/70/26/1095147026.db2.gz OLXLIVAMUJBCQI-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@H]1C ZINC001441834059 1095900463 /nfs/dbraw/zinc/90/04/63/1095900463.db2.gz ZVIBOLOTHNAWGG-SJLPKXTDSA-N 2 0 332.492 2.119 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001441879028 1096002356 /nfs/dbraw/zinc/00/23/56/1096002356.db2.gz XBYRSAGHJUYAMH-OAHLLOKOSA-N 2 0 333.451 2.357 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC(F)(F)C2)[C@@H]1C ZINC001441889759 1096025373 /nfs/dbraw/zinc/02/53/73/1096025373.db2.gz BOARLFYUIDZBOY-HIFRSBDPSA-N 2 0 331.451 2.341 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441955849 1096157380 /nfs/dbraw/zinc/15/73/80/1096157380.db2.gz WQOYEDHRYXXDDO-HUUCEWRRSA-N 2 0 328.460 2.104 10 0 EEAERP COc1ccc(C[N@H+](C)CCN(C(=O)[C@@H]2CCC[NH+]2C)C(C)C)cc1 ZINC001442102974 1096326185 /nfs/dbraw/zinc/32/61/85/1096326185.db2.gz QTVWKQJRXVRMGF-IBGZPJMESA-N 2 0 347.503 2.458 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001442252501 1096554444 /nfs/dbraw/zinc/55/44/44/1096554444.db2.gz KOBWYKWDBUHEPC-CJNGLKHVSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C3CC[NH+](CCC4CC4)CC3)CC2)C1 ZINC001442279261 1096590265 /nfs/dbraw/zinc/59/02/65/1096590265.db2.gz NKFLEAUJMYXXNJ-MRXNPFEDSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nc2ccccc2o1 ZINC001442285261 1096598141 /nfs/dbraw/zinc/59/81/41/1096598141.db2.gz AXZYEWLZSVSVAB-CQSZACIVSA-N 2 0 344.459 2.154 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)c1 ZINC001442551689 1096914187 /nfs/dbraw/zinc/91/41/87/1096914187.db2.gz ISGDPFBHSDKLBS-HKUYNNGSSA-N 2 0 345.487 2.260 10 0 EEAERP CCN(CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1cnc(C)cn1 ZINC001442754942 1097130466 /nfs/dbraw/zinc/13/04/66/1097130466.db2.gz HYNUZJVLSMDETA-QGZVFWFLSA-N 2 0 347.507 2.160 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001442809452 1097193177 /nfs/dbraw/zinc/19/31/77/1097193177.db2.gz CRDFBIKVKABUPJ-SJLPKXTDSA-N 2 0 345.487 2.118 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC001442813258 1097198830 /nfs/dbraw/zinc/19/88/30/1097198830.db2.gz HZQDXRZLUPCVAX-RHSMWYFYSA-N 2 0 335.517 2.479 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001442883139 1097278518 /nfs/dbraw/zinc/27/85/18/1097278518.db2.gz BVZXUVLBPWBXJV-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C1CC1)[C@@H]1CCc2ccccc21 ZINC001442995062 1097414711 /nfs/dbraw/zinc/41/47/11/1097414711.db2.gz OZWRNGXKEVEHRR-RTBURBONSA-N 2 0 327.472 2.349 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001443072818 1097484851 /nfs/dbraw/zinc/48/48/51/1097484851.db2.gz BEOHDZJMWOFISB-APWZRJJASA-N 2 0 329.488 2.446 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1 ZINC001443154407 1097588039 /nfs/dbraw/zinc/58/80/39/1097588039.db2.gz OCLJHXHVQCYVIJ-KDURUIRLSA-N 2 0 329.488 2.246 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H](CCNC(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC001443262016 1097741401 /nfs/dbraw/zinc/74/14/01/1097741401.db2.gz DNNVMYMLGAVKAZ-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443352563 1097877457 /nfs/dbraw/zinc/87/74/57/1097877457.db2.gz WQDIOCFLUIRXCC-CHWSQXEVSA-N 2 0 334.291 2.037 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001443821712 1098324319 /nfs/dbraw/zinc/32/43/19/1098324319.db2.gz YSHIDDCDRUJTAU-ROUUACIJSA-N 2 0 335.467 2.399 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccn(CC)n1 ZINC001444000342 1098514778 /nfs/dbraw/zinc/51/47/78/1098514778.db2.gz HLBLCIHHTMTEJR-SJLPKXTDSA-N 2 0 349.523 2.150 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC001444074667 1098600226 /nfs/dbraw/zinc/60/02/26/1098600226.db2.gz SSLTUWXYOSUYNS-KRWDZBQOSA-N 2 0 330.476 2.085 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001479675825 1098725321 /nfs/dbraw/zinc/72/53/21/1098725321.db2.gz XYKMYWWWILHUND-MSOLQXFVSA-N 2 0 339.499 2.392 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001444392028 1098984732 /nfs/dbraw/zinc/98/47/32/1098984732.db2.gz VWNOBJDXOBJROB-SJCJKPOMSA-N 2 0 339.430 2.246 10 0 EEAERP C[C@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444583004 1099404063 /nfs/dbraw/zinc/40/40/63/1099404063.db2.gz JHJVMZNUNYTSGJ-CJNGLKHVSA-N 2 0 346.500 2.327 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001444591733 1099416654 /nfs/dbraw/zinc/41/66/54/1099416654.db2.gz HTFWYURPXRMLNF-QGPMSJSTSA-N 2 0 347.503 2.280 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001444591326 1099416989 /nfs/dbraw/zinc/41/69/89/1099416989.db2.gz CIBQSNZWXJMTEN-ZFWWWQNUSA-N 2 0 331.451 2.341 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)[NH+]1CCCC1 ZINC001479986964 1099446868 /nfs/dbraw/zinc/44/68/68/1099446868.db2.gz BESFRXFOIAHXPR-ROUUACIJSA-N 2 0 333.520 2.488 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001444655304 1099489630 /nfs/dbraw/zinc/48/96/30/1099489630.db2.gz OWYDXDMSOCDTPK-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001444731452 1099606908 /nfs/dbraw/zinc/60/69/08/1099606908.db2.gz RJERJDLJQUQVOP-JKSUJKDBSA-N 2 0 333.476 2.289 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085926 1099640322 /nfs/dbraw/zinc/64/03/22/1099640322.db2.gz VMICPJPISWBWAC-WBVHZDCISA-N 2 0 327.488 2.247 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480174472 1099754319 /nfs/dbraw/zinc/75/43/19/1099754319.db2.gz XPZFCMZZGMPCRU-QAQDUYKDSA-N 2 0 333.476 2.081 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]2C[N@H+](CCF)CC[C@@H]21 ZINC001480190111 1099790591 /nfs/dbraw/zinc/79/05/91/1099790591.db2.gz WSQYCYDSDJWLIP-IRXDYDNUSA-N 2 0 325.472 2.145 10 0 EEAERP COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480208131 1099816576 /nfs/dbraw/zinc/81/65/76/1099816576.db2.gz OJJWQLPJFXWZMH-IYBDPMFKSA-N 2 0 349.450 2.055 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001444887550 1099920281 /nfs/dbraw/zinc/92/02/81/1099920281.db2.gz KHINGJDFUGOTKS-HOTGVXAUSA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388695 1100193062 /nfs/dbraw/zinc/19/30/62/1100193062.db2.gz ZLCDVZNHRVIWMV-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP COCc1ccc(C[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001480408439 1100224448 /nfs/dbraw/zinc/22/44/48/1100224448.db2.gz SAVSLHFEOUEFID-UHFFFAOYSA-N 2 0 347.503 2.302 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001480486984 1100297750 /nfs/dbraw/zinc/29/77/50/1100297750.db2.gz QSHQDIIFWGAQIE-INIZCTEOSA-N 2 0 345.487 2.166 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001480537888 1100368013 /nfs/dbraw/zinc/36/80/13/1100368013.db2.gz RAPGBWAJEMBHAW-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)sn1 ZINC001496237179 1100803760 /nfs/dbraw/zinc/80/37/60/1100803760.db2.gz AUYWPYHXRQGGFL-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001495168047 1100841898 /nfs/dbraw/zinc/84/18/98/1100841898.db2.gz KXQJNQFKEVLDTD-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP Cc1ccncc1C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001495202412 1100883154 /nfs/dbraw/zinc/88/31/54/1100883154.db2.gz FOLGRGXNJSTCPS-UHFFFAOYSA-N 2 0 342.487 2.004 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001446465452 1100889608 /nfs/dbraw/zinc/88/96/08/1100889608.db2.gz VFKGUABEQXXQFH-GJZGRUSLSA-N 2 0 333.467 2.385 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)s1 ZINC001496372581 1100965380 /nfs/dbraw/zinc/96/53/80/1100965380.db2.gz ABGRXOYXJKFCQT-CJNGLKHVSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001446551014 1101020519 /nfs/dbraw/zinc/02/05/19/1101020519.db2.gz HWDWVVLDIIJTBP-IBGZPJMESA-N 2 0 348.491 2.330 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001496451867 1101044745 /nfs/dbraw/zinc/04/47/45/1101044745.db2.gz YLXBLACVPUCCPN-HIFRSBDPSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3cccnc3)C2)CC[N@@H+]1C ZINC001446574224 1101060724 /nfs/dbraw/zinc/06/07/24/1101060724.db2.gz FNIIZLDNXZDGHL-NSHGMRRFSA-N 2 0 344.503 2.140 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001495374268 1101089619 /nfs/dbraw/zinc/08/96/19/1101089619.db2.gz OIYSXDDTMHCWHQ-SJORKVTESA-N 2 0 327.488 2.296 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001495430029 1101148369 /nfs/dbraw/zinc/14/83/69/1101148369.db2.gz DHSMTSCXBYEZTR-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(N1CCC(CC[NH2+]CCCCCF)CC1)C12CC[NH+](CC1)C2 ZINC001495432487 1101150155 /nfs/dbraw/zinc/15/01/55/1101150155.db2.gz JUYUSJNJYKBTTK-UHFFFAOYSA-N 2 0 339.499 2.440 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)s1 ZINC001496560720 1101161334 /nfs/dbraw/zinc/16/13/34/1101161334.db2.gz CJKNBKCZXFZIQK-HNNXBMFYSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496628710 1101233496 /nfs/dbraw/zinc/23/34/96/1101233496.db2.gz PFAGWUXGZBNVGW-SFHVURJKSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001495669404 1101410406 /nfs/dbraw/zinc/41/04/06/1101410406.db2.gz WLHSETACUFOHRZ-XJKSGUPXSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]CCC1CC1 ZINC001495746823 1101523352 /nfs/dbraw/zinc/52/33/52/1101523352.db2.gz OWVIQTIBXYZJAG-DBVUQKKJSA-N 2 0 343.515 2.474 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001495807234 1101623073 /nfs/dbraw/zinc/62/30/73/1101623073.db2.gz BXTGYQJHLIILHB-KSSFIOAISA-N 2 0 333.451 2.251 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCCF)C[C@H]21)[NH+](CC)CC ZINC001447041817 1101832735 /nfs/dbraw/zinc/83/27/35/1101832735.db2.gz IDIUDXGRHHGBEJ-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001496096544 1102050938 /nfs/dbraw/zinc/05/09/38/1102050938.db2.gz BDJJSNAWUXDLDS-WMLDXEAASA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2c(o1)CCCC2)NC(=O)C1([NH+](C)C)CCC1 ZINC001497205642 1102125130 /nfs/dbraw/zinc/12/51/30/1102125130.db2.gz LFQKMDPIEXIADQ-CQSZACIVSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1nc(C)c(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC2)o1 ZINC001447212211 1102214898 /nfs/dbraw/zinc/21/48/98/1102214898.db2.gz BPJZLYVKYRGCTN-UHFFFAOYSA-N 2 0 348.491 2.294 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497266248 1102220376 /nfs/dbraw/zinc/22/03/76/1102220376.db2.gz XTURPEHSDVFSGC-BLLLJJGKSA-N 2 0 340.537 2.331 10 0 EEAERP CN(CCC[N@H+](C)Cc1cc(F)ccc1F)C(=O)C[NH+]1CCCC1 ZINC001447375226 1102556509 /nfs/dbraw/zinc/55/65/09/1102556509.db2.gz JTDZDRUANOIGSY-UHFFFAOYSA-N 2 0 339.430 2.341 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2Cc3ccccc3C[NH+]2CCCF)C1 ZINC001447431579 1102642728 /nfs/dbraw/zinc/64/27/28/1102642728.db2.gz OTPOLPDAWAQETQ-VQIMIIECSA-N 2 0 347.478 2.231 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCF)C2)C1)[NH+](CC)CC ZINC001447439272 1102657642 /nfs/dbraw/zinc/65/76/42/1102657642.db2.gz NAAYWQKDMURJRN-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)s1 ZINC001497577121 1102690285 /nfs/dbraw/zinc/69/02/85/1102690285.db2.gz AGIGWCQJIBHQJT-APHBUQMISA-N 2 0 336.505 2.086 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001497602381 1102732795 /nfs/dbraw/zinc/73/27/95/1102732795.db2.gz XLCBQMSCNCXGQF-ZMUQKWFASA-N 2 0 333.451 2.462 10 0 EEAERP Cc1conc1C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494067573 1103462693 /nfs/dbraw/zinc/46/26/93/1103462693.db2.gz PVFOHICKEYCOMZ-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001448070904 1103938447 /nfs/dbraw/zinc/93/84/47/1103938447.db2.gz UZVPIBZFDXBMMK-MLGOLLRUSA-N 2 0 327.419 2.242 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCc1cccc(F)c1 ZINC001448137809 1104085259 /nfs/dbraw/zinc/08/52/59/1104085259.db2.gz WHNJMPZBJZYJKL-MRXNPFEDSA-N 2 0 347.478 2.291 10 0 EEAERP Cc1ccc(CCC[NH+]2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001448353487 1104449409 /nfs/dbraw/zinc/44/94/09/1104449409.db2.gz DLFWTZHRWPFJSB-SFHVURJKSA-N 2 0 343.515 2.460 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494853812 1104458749 /nfs/dbraw/zinc/45/87/49/1104458749.db2.gz HSFPMWGPTQGTDU-QGZVFWFLSA-N 2 0 341.540 2.312 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCCCCC1 ZINC001494950045 1104593065 /nfs/dbraw/zinc/59/30/65/1104593065.db2.gz PTKSOTWZAMNDHA-AEFFLSMTSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001480702643 1106918052 /nfs/dbraw/zinc/91/80/52/1106918052.db2.gz SMPUWODUPANMFY-HUUCEWRRSA-N 2 0 338.521 2.229 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001480706245 1106924593 /nfs/dbraw/zinc/92/45/93/1106924593.db2.gz AXAFPJDHSLXISB-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCOC(C)C)C1 ZINC001480727362 1106981703 /nfs/dbraw/zinc/98/17/03/1106981703.db2.gz UZCUCICNMRYZOO-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC001480773310 1107090018 /nfs/dbraw/zinc/09/00/18/1107090018.db2.gz YEBNSSTXIOHSJX-MRXNPFEDSA-N 2 0 341.540 2.265 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001480813861 1107164574 /nfs/dbraw/zinc/16/45/74/1107164574.db2.gz NBGWMYJPFXXXOH-NVXWUHKLSA-N 2 0 336.480 2.170 10 0 EEAERP C[NH+]1CCC(CC(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001480829618 1107217382 /nfs/dbraw/zinc/21/73/82/1107217382.db2.gz MOVMIWYHTGDWAT-GOSISDBHSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001480834966 1107237627 /nfs/dbraw/zinc/23/76/27/1107237627.db2.gz WMKGYGJXUSYDJX-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2ncccc2c1)NC(=O)CC[NH+](C)C ZINC001498399088 1107455369 /nfs/dbraw/zinc/45/53/69/1107455369.db2.gz UHICFZPKNLFBDJ-OAHLLOKOSA-N 2 0 328.460 2.123 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC001493134031 1107567154 /nfs/dbraw/zinc/56/71/54/1107567154.db2.gz VBPIFBZJSPASOC-OAHLLOKOSA-N 2 0 339.430 2.040 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001498493833 1107631389 /nfs/dbraw/zinc/63/13/89/1107631389.db2.gz ZZLXTPXVPKEBLY-SUWYVTPWSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1nccs1 ZINC001498502907 1107643464 /nfs/dbraw/zinc/64/34/64/1107643464.db2.gz HXWDJZVYIPGHIA-CABCVRRESA-N 2 0 338.521 2.248 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001493210751 1107689275 /nfs/dbraw/zinc/68/92/75/1107689275.db2.gz MJJKPCLBVMYANS-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001498552990 1107710509 /nfs/dbraw/zinc/71/05/09/1107710509.db2.gz UKUYAYVWMSNVKS-INIZCTEOSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001498641730 1107872528 /nfs/dbraw/zinc/87/25/28/1107872528.db2.gz OBZYTQPJLIULOS-UHFFFAOYSA-N 2 0 333.451 2.168 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001498762571 1108051953 /nfs/dbraw/zinc/05/19/53/1108051953.db2.gz VJZBKBWABPRVFE-HZPDHXFCSA-N 2 0 343.462 2.389 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001498873670 1108256942 /nfs/dbraw/zinc/25/69/42/1108256942.db2.gz JFLFXMBVVXNXCG-UONOGXRCSA-N 2 0 335.414 2.298 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]Cc1nocc1C ZINC001498904717 1108303527 /nfs/dbraw/zinc/30/35/27/1108303527.db2.gz WNLAYXFLICYGER-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@H]1CC[C@@H](C)O1 ZINC001493870578 1108765263 /nfs/dbraw/zinc/76/52/63/1108765263.db2.gz MKJHKDUQUZBUJC-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)Cc1ccccc1 ZINC001463835906 1110381281 /nfs/dbraw/zinc/38/12/81/1110381281.db2.gz JPCWLVMMNUDMDV-RBUKOAKNSA-N 2 0 349.494 2.490 10 0 EEAERP C[NH+](C)CCOc1ccc(CCNC(=O)C2([NH+](C)C)CCCC2)cc1 ZINC001465003611 1110409265 /nfs/dbraw/zinc/40/92/65/1110409265.db2.gz RJNJPTIDDPXINR-UHFFFAOYSA-N 2 0 347.503 2.160 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@]12CCOC2)c1ccccc1 ZINC001473895293 1110584475 /nfs/dbraw/zinc/58/44/75/1110584475.db2.gz GFPJRVQHDVKORG-AZUAARDMSA-N 2 0 345.487 2.051 10 0 EEAERP COCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001499482283 1112313846 /nfs/dbraw/zinc/31/38/46/1112313846.db2.gz UBRAIIRKYXPDBL-ZWKOTPCHSA-N 2 0 348.491 2.013 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001499525508 1112341095 /nfs/dbraw/zinc/34/10/95/1112341095.db2.gz DEQOLQWVDODWPN-SFHVURJKSA-N 2 0 337.483 2.001 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001500012996 1112579716 /nfs/dbraw/zinc/57/97/16/1112579716.db2.gz QUPVKLSXQNURGG-UHFFFAOYSA-N 2 0 348.491 2.330 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001500124630 1112628802 /nfs/dbraw/zinc/62/88/02/1112628802.db2.gz BRKIGGRRLQKRCP-IBGZPJMESA-N 2 0 344.503 2.250 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)c2cccc3nccn32)CC1 ZINC001500436346 1112830411 /nfs/dbraw/zinc/83/04/11/1112830411.db2.gz HISNAARCJKRTQG-UHFFFAOYSA-N 2 0 344.459 2.203 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500611552 1112974755 /nfs/dbraw/zinc/97/47/55/1112974755.db2.gz VEVBUYZAHLZOIY-HUUCEWRRSA-N 2 0 331.451 2.343 10 0 EEAERP O=C(CCn1ccnc1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001501007858 1113164483 /nfs/dbraw/zinc/16/44/83/1113164483.db2.gz MQZFTTLBCNHIAY-BBWFWOEESA-N 2 0 336.455 2.382 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001501087277 1113194750 /nfs/dbraw/zinc/19/47/50/1113194750.db2.gz MXUYRQWQKDSVDS-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001501147645 1113215186 /nfs/dbraw/zinc/21/51/86/1113215186.db2.gz ZKMQYIVXJNIMHL-ZBFHGGJFSA-N 2 0 345.478 2.448 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001501153038 1113217119 /nfs/dbraw/zinc/21/71/19/1113217119.db2.gz JHWDXZMDGYSSJX-HKUYNNGSSA-N 2 0 329.488 2.009 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001501578779 1113389206 /nfs/dbraw/zinc/38/92/06/1113389206.db2.gz OWHSCVIGCGVUHC-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)NCc1cccc2c1CC[NH+]([C@H](C)COC)C2 ZINC001501856816 1113499735 /nfs/dbraw/zinc/49/97/35/1113499735.db2.gz GRZASJMLSINUCH-MRXNPFEDSA-N 2 0 347.503 2.038 10 0 EEAERP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001502068697 1113576466 /nfs/dbraw/zinc/57/64/66/1113576466.db2.gz IGYALQHQNZTQCI-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001502986225 1113866477 /nfs/dbraw/zinc/86/64/77/1113866477.db2.gz JZOCEYZFVKBUQS-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH2+]CCCOC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001506494975 1114648833 /nfs/dbraw/zinc/64/88/33/1114648833.db2.gz UKRYXCGWXWVTHK-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1)[NH+](C)C ZINC001506522146 1114671084 /nfs/dbraw/zinc/67/10/84/1114671084.db2.gz MJLJYVUAUKCSKF-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001506814552 1114891788 /nfs/dbraw/zinc/89/17/88/1114891788.db2.gz YOCSSCLVOGJANT-XLAORIBOSA-N 2 0 335.536 2.449 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001507149909 1115134522 /nfs/dbraw/zinc/13/45/22/1115134522.db2.gz SGTPCALRFUQZKR-APWZRJJASA-N 2 0 347.503 2.111 10 0 EEAERP C[C@H](C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001507244959 1115159582 /nfs/dbraw/zinc/15/95/82/1115159582.db2.gz YPXXMRKSJPNISZ-IAGOWNOFSA-N 2 0 341.540 2.144 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)C[C@H]1C ZINC001507329481 1115195430 /nfs/dbraw/zinc/19/54/30/1115195430.db2.gz VJWOOWIFUJLSJJ-CRAIPNDOSA-N 2 0 332.492 2.119 10 0 EEAERP CC(C)[NH2+][C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001507390798 1115247687 /nfs/dbraw/zinc/24/76/87/1115247687.db2.gz ZKHPEZLUTAAULN-PMACEKPBSA-N 2 0 343.515 2.444 10 0 EEAERP CCCCOCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508056486 1115405749 /nfs/dbraw/zinc/40/57/49/1115405749.db2.gz MWXIHIDFJOLIOP-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCOc2cccc(C)c2)C1)[NH+](C)C ZINC001508140885 1115426617 /nfs/dbraw/zinc/42/66/17/1115426617.db2.gz LMNOKEMVHXAIDD-FAFZWHIHSA-N 2 0 347.503 2.293 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001508186216 1115437028 /nfs/dbraw/zinc/43/70/28/1115437028.db2.gz BEEYZGHUWYOYDK-IEBWSBKVSA-N 2 0 347.503 2.072 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccn3)C2)CC1 ZINC001568065868 1124271004 /nfs/dbraw/zinc/27/10/04/1124271004.db2.gz FWLCLRFNRSFQFK-KRWDZBQOSA-N 2 0 344.503 2.142 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001568112802 1124309453 /nfs/dbraw/zinc/30/94/53/1124309453.db2.gz LGWSZMCUBJUUPL-IYARVYRRSA-N 2 0 339.499 2.485 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001568235205 1124377724 /nfs/dbraw/zinc/37/77/24/1124377724.db2.gz IWDAIQYDYKLQFT-KRWDZBQOSA-N 2 0 339.499 2.487 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCC1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568326131 1124421443 /nfs/dbraw/zinc/42/14/43/1124421443.db2.gz WJXFNGXHGDTDGS-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001568470081 1124530062 /nfs/dbraw/zinc/53/00/62/1124530062.db2.gz HCDVEYAQZWCMFT-HNNXBMFYSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001568630399 1124644904 /nfs/dbraw/zinc/64/49/04/1124644904.db2.gz BUCCRAOGNPNSJA-UKRRQHHQSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671638 1124685291 /nfs/dbraw/zinc/68/52/91/1124685291.db2.gz VTCPEWOZCHTHCI-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc2c1CCOC2)[NH+](C)C ZINC001568680002 1124691294 /nfs/dbraw/zinc/69/12/94/1124691294.db2.gz WMBZUMTWMPHPMJ-BEFAXECRSA-N 2 0 347.503 2.084 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568692120 1124704697 /nfs/dbraw/zinc/70/46/97/1124704697.db2.gz CLDHXISGNYOTQD-OAHLLOKOSA-N 2 0 348.491 2.268 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568788374 1124800643 /nfs/dbraw/zinc/80/06/43/1124800643.db2.gz KNLREUGWIWDDDP-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001568873238 1124899023 /nfs/dbraw/zinc/89/90/23/1124899023.db2.gz IRFRIDWIMZCNPS-PUWCWTCHSA-N 2 0 348.318 2.317 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899153 1124926403 /nfs/dbraw/zinc/92/64/03/1124926403.db2.gz TWXYYHLFPDOSGF-SNAWJCMRSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568920461 1124949074 /nfs/dbraw/zinc/94/90/74/1124949074.db2.gz VYUVUSMFCGIEKU-ABCZVMIZSA-N 2 0 333.451 2.238 10 0 EEAERP C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccnc1)[NH+]1CCCCCC1 ZINC001568927980 1124958023 /nfs/dbraw/zinc/95/80/23/1124958023.db2.gz FVBWREOAPXCZJN-BDUNBXCCSA-N 2 0 330.476 2.108 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F)C12CC[NH+](CC1)C2 ZINC001568949617 1124982967 /nfs/dbraw/zinc/98/29/67/1124982967.db2.gz FMFSZHLMTGSVPZ-KROLTMCQSA-N 2 0 343.446 2.171 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001568964104 1125000297 /nfs/dbraw/zinc/00/02/97/1125000297.db2.gz OSNHNTNXZIWKIL-KROLTMCQSA-N 2 0 349.425 2.310 10 0 EEAERP CN(CCC[NH2+][C@H]1CCCc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569267110 1125206924 /nfs/dbraw/zinc/20/69/24/1125206924.db2.gz NFVBISVBTXAFOX-MJGOQNOKSA-N 2 0 329.488 2.454 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001569339953 1125240559 /nfs/dbraw/zinc/24/05/59/1125240559.db2.gz HEPCTIJMFDFBIX-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP CC[NH+]1CCN(CC[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000053937279 214205865 /nfs/dbraw/zinc/20/58/65/214205865.db2.gz FAHGUJLAHIDZSW-OAHLLOKOSA-N 2 0 326.282 2.477 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340094457 539823429 /nfs/dbraw/zinc/82/34/29/539823429.db2.gz LEDYLNSZUNMZQG-SZMVWBNQSA-N 2 0 332.492 2.461 10 0 EEAERP CCC[NH+](CCC)CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000364214520 283214054 /nfs/dbraw/zinc/21/40/54/283214054.db2.gz LJIPVNQYCUCZPC-FRQCXROJSA-N 2 0 339.524 2.147 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107814194 283350923 /nfs/dbraw/zinc/35/09/23/283350923.db2.gz MDWUQLSYYSXPPD-ROUUACIJSA-N 2 0 336.524 2.378 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246485655 201178902 /nfs/dbraw/zinc/17/89/02/201178902.db2.gz OXCDOZNXLQHVCA-GBESFXJTSA-N 2 0 329.488 2.484 10 0 EEAERP CCC(CC)(CC)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000081156282 201356858 /nfs/dbraw/zinc/35/68/58/201356858.db2.gz QVFMZEWGKONXJU-MRXNPFEDSA-N 2 0 327.513 2.018 10 0 EEAERP c1csc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)c1 ZINC000422827805 240247947 /nfs/dbraw/zinc/24/79/47/240247947.db2.gz NLJFEJFTOWBTNH-MOPGFXCFSA-N 2 0 349.544 2.317 10 0 EEAERP COc1ccc([C@H](NC[C@H](C)C[NH+]2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422751717 240207108 /nfs/dbraw/zinc/20/71/08/240207108.db2.gz ABCOWMJUIDEXDS-VDGAXYAQSA-N 2 0 347.503 2.046 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000422814580 240240333 /nfs/dbraw/zinc/24/03/33/240240333.db2.gz VMHNPFPGAXZIPT-ZWOKBUDYSA-N 3 0 349.519 2.139 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(OC)ccc1Br ZINC000422935601 240299343 /nfs/dbraw/zinc/29/93/43/240299343.db2.gz LCTLLJXJQFQTBA-LBPRGKRZSA-N 2 0 331.254 2.301 10 0 EEAERP C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422940929 240301009 /nfs/dbraw/zinc/30/10/09/240301009.db2.gz NVMBUYNWOSCALF-LPHOPBHVSA-N 2 0 329.488 2.340 10 0 EEAERP COC[C@H](CCC[NH3+])Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422955677 240306047 /nfs/dbraw/zinc/30/60/47/240306047.db2.gz MXGPRGZWXLVUSF-FCEWJHQRSA-N 2 0 335.492 2.462 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422885248 240273503 /nfs/dbraw/zinc/27/35/03/240273503.db2.gz GPBSRRLWHCKJKT-BBWFWOEESA-N 2 0 339.524 2.160 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423065585 240348578 /nfs/dbraw/zinc/34/85/78/240348578.db2.gz UWTUDJOPHRSGJL-QHAWAJNXSA-N 2 0 343.515 2.254 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CCCC2CCOCC2)CC[NH2+]CC1 ZINC000423145823 240382894 /nfs/dbraw/zinc/38/28/94/240382894.db2.gz MRPQMUFXRXKWOO-OAHLLOKOSA-N 2 0 326.481 2.104 10 0 EEAERP C[C@@H](CC[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+]1CCCCC1 ZINC000446760838 242217946 /nfs/dbraw/zinc/21/79/46/242217946.db2.gz VVIIOEITGHIKAM-HNNXBMFYSA-N 2 0 329.444 2.137 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000246419526 243250557 /nfs/dbraw/zinc/25/05/57/243250557.db2.gz VMPUCLRSGPHBTH-NZSAHSFTSA-N 2 0 346.519 2.141 10 0 EEAERP CN1CC[NH+](CCCCN2Cc3c(cccc3Cl)[C@H]2C[NH3+])CC1 ZINC000071683249 203104263 /nfs/dbraw/zinc/10/42/63/203104263.db2.gz MAWOQDOMZUZLAN-GOSISDBHSA-N 2 0 336.911 2.183 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106434835 204195488 /nfs/dbraw/zinc/19/54/88/204195488.db2.gz QAZYIQOJHLOIAE-RBUKOAKNSA-N 2 0 331.504 2.396 10 0 EEAERP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCSCC1 ZINC000129343627 205190568 /nfs/dbraw/zinc/19/05/68/205190568.db2.gz DQIKEVBFOOMGOZ-AEFFLSMTSA-N 2 0 347.528 2.205 10 0 EEAERP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000129371977 205192002 /nfs/dbraw/zinc/19/20/02/205192002.db2.gz QRYIBINOSXTRCL-LJQANCHMSA-N 2 0 344.503 2.376 10 0 EEAERP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268541181 252008881 /nfs/dbraw/zinc/00/88/81/252008881.db2.gz TUJUSGHMYZLYLN-SJLPKXTDSA-N 2 0 332.492 2.243 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000174179449 255833889 /nfs/dbraw/zinc/83/38/89/255833889.db2.gz WJAZIBCWIHFFLK-SFHVURJKSA-N 2 0 339.524 2.018 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000072816922 292168684 /nfs/dbraw/zinc/16/86/84/292168684.db2.gz IHABAVBJRQOPBJ-UHFFFAOYSA-N 2 0 344.503 2.044 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(C)CC2)CC1 ZINC000088670567 292207249 /nfs/dbraw/zinc/20/72/49/292207249.db2.gz CHGABNRDGCATKL-UHFFFAOYSA-N 2 0 330.520 2.402 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000377201953 154085394 /nfs/dbraw/zinc/08/53/94/154085394.db2.gz RBQAWWPNVHYVOS-OALUTQOASA-N 2 0 346.519 2.439 10 0 EEAERP COCc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000128849776 292348521 /nfs/dbraw/zinc/34/85/21/292348521.db2.gz VFOHNFDJSMPSRK-UHFFFAOYSA-N 2 0 335.492 2.466 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1)[C@H]1CCC[NH2+]1 ZINC000261800016 160418186 /nfs/dbraw/zinc/41/81/86/160418186.db2.gz ZUSXVCNXZMNWIR-HRCADAONSA-N 2 0 343.462 2.392 10 0 EEAERP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000107836637 159336768 /nfs/dbraw/zinc/33/67/68/159336768.db2.gz HPYRCWYXGSNWOS-ZWKOTPCHSA-N 2 0 336.524 2.378 10 0 EEAERP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NC1CCCCC1 ZINC000342683508 161082792 /nfs/dbraw/zinc/08/27/92/161082792.db2.gz ZRYSBYROCGQFLQ-UHFFFAOYSA-N 2 0 337.508 2.012 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2nc[nH]c2cc1F ZINC000342695106 161083539 /nfs/dbraw/zinc/08/35/39/161083539.db2.gz WLVCSJQGPIPQET-UHFFFAOYSA-N 2 0 349.454 2.048 10 0 EEAERP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000343363698 161129055 /nfs/dbraw/zinc/12/90/55/161129055.db2.gz HAJXRDPMTGOFGO-HNAYVOBHSA-N 2 0 346.450 2.488 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173892141 287265796 /nfs/dbraw/zinc/26/57/96/287265796.db2.gz CCQNFDPVINEHEC-MSOLQXFVSA-N 2 0 334.508 2.297 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](CC)CC ZINC000275572479 269125844 /nfs/dbraw/zinc/12/58/44/269125844.db2.gz FIGVAUQKSRDXKC-RTBURBONSA-N 2 0 346.519 2.482 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000189914399 274040361 /nfs/dbraw/zinc/04/03/61/274040361.db2.gz RJBSEXPKSFNOMF-CRAIPNDOSA-N 2 0 345.443 2.079 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(C)nc3ccccn3c2=O)[C@@H](C)C1 ZINC000289397614 275113592 /nfs/dbraw/zinc/11/35/92/275113592.db2.gz RYZSHXFHPHUFAY-YJBOKZPZSA-N 2 0 342.487 2.208 10 0 EEAERP Cc1c(O)ccc2c(CN3CC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)oc12 ZINC000292239912 275399506 /nfs/dbraw/zinc/39/95/06/275399506.db2.gz WOVWYMVLMNRDJK-IBGZPJMESA-N 2 0 328.412 2.335 10 0 EEAERP CCC[C@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000182053162 276285348 /nfs/dbraw/zinc/28/53/48/276285348.db2.gz GOSRCQWORNZXOO-HOTGVXAUSA-N 2 0 331.460 2.218 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422718253 293097064 /nfs/dbraw/zinc/09/70/64/293097064.db2.gz WUUDQSJVVIWGJI-KRWDZBQOSA-N 2 0 342.443 2.177 10 0 EEAERP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000424456630 295299392 /nfs/dbraw/zinc/29/93/92/295299392.db2.gz XIZCPYQGHMJHMD-QZTJIDSGSA-N 2 0 330.476 2.352 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284588822 311490073 /nfs/dbraw/zinc/49/00/73/311490073.db2.gz ZOPKLEMMNTXQCQ-LNKGRISISA-N 2 0 331.504 2.413 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000343150599 312265821 /nfs/dbraw/zinc/26/58/21/312265821.db2.gz LFBDJQDEIMYOAO-HKUYNNGSSA-N 2 0 347.503 2.143 10 0 EEAERP Fc1cc(-c2ccncc2)ccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414785246 313088484 /nfs/dbraw/zinc/08/84/84/313088484.db2.gz USTZULNCKTXZAT-UHFFFAOYSA-N 2 0 328.435 2.273 10 0 EEAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416787693 313316617 /nfs/dbraw/zinc/31/66/17/313316617.db2.gz PAFZTJNZGNMENV-OTWHNJEPSA-N 2 0 342.487 2.359 10 0 EEAERP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C[NH3+] ZINC000416872977 313343020 /nfs/dbraw/zinc/34/30/20/313343020.db2.gz MSGCJOQQWSLMLK-APWZRJJASA-N 2 0 344.503 2.409 10 0 EEAERP CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416878427 313345323 /nfs/dbraw/zinc/34/53/23/313345323.db2.gz WCURHFMGPQOCJY-DFNIBXOVSA-N 2 0 344.503 2.433 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000416891878 313351408 /nfs/dbraw/zinc/35/14/08/313351408.db2.gz VSVILVXIWLXYEN-QAPCUYQASA-N 2 0 332.492 2.326 10 0 EEAERP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000417665750 313560965 /nfs/dbraw/zinc/56/09/65/313560965.db2.gz ZRKYXWCANMPFSO-ZDUSSCGKSA-N 2 0 336.455 2.156 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000418070069 313704976 /nfs/dbraw/zinc/70/49/76/313704976.db2.gz TXZVVIZRBYSRBE-HOTGVXAUSA-N 2 0 332.492 2.453 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)CCCc2ccccc2)CC1 ZINC000515348021 316482563 /nfs/dbraw/zinc/48/25/63/316482563.db2.gz SSMCTIBRXWKNQQ-HXUWFJFHSA-N 2 0 347.547 2.233 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000527809961 317268294 /nfs/dbraw/zinc/26/82/94/317268294.db2.gz UVAOWWFXZMCKMW-IBGZPJMESA-N 2 0 347.422 2.492 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000528457217 317392041 /nfs/dbraw/zinc/39/20/41/317392041.db2.gz PDUYHXLTUCZZQM-NZSAHSFTSA-N 2 0 332.488 2.153 10 0 EEAERP CC(C)[NH+](CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C(C)C ZINC000563621571 319031308 /nfs/dbraw/zinc/03/13/08/319031308.db2.gz ANTFEOCXSVMEGV-GOSISDBHSA-N 2 0 332.492 2.373 10 0 EEAERP O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000564339029 319079832 /nfs/dbraw/zinc/07/98/32/319079832.db2.gz YPWMWNGQMPZRHF-SFHVURJKSA-N 2 0 327.472 2.071 10 0 EEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566191741 319258333 /nfs/dbraw/zinc/25/83/33/319258333.db2.gz CJWVGNKCCJXLJK-CRAIPNDOSA-N 2 0 332.492 2.375 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000567625051 319398850 /nfs/dbraw/zinc/39/88/50/319398850.db2.gz CPFFNQGMPCRBGN-AWEZNQCLSA-N 2 0 339.430 2.197 10 0 EEAERP Cc1ccc([C@H](CNC(=O)COC2CCC([NH3+])CC2)[NH+]2CCCC2)o1 ZINC000567764110 319416421 /nfs/dbraw/zinc/41/64/21/319416421.db2.gz IQBCJOMSHKRUMB-JCYILVPMSA-N 2 0 349.475 2.128 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000571315259 319744375 /nfs/dbraw/zinc/74/43/75/319744375.db2.gz DPTPSKXEVZYAES-NYLDSWQDSA-N 2 0 345.531 2.085 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000575780088 320113973 /nfs/dbraw/zinc/11/39/73/320113973.db2.gz UZQMMNBWOASAIJ-LPHOPBHVSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cn2ccccc2n1 ZINC000576530779 320180701 /nfs/dbraw/zinc/18/07/01/320180701.db2.gz ZUPOOXHUDPBDPV-INIZCTEOSA-N 2 0 329.492 2.259 10 0 EEAERP C[C@H](C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000127749328 462579742 /nfs/dbraw/zinc/57/97/42/462579742.db2.gz DOEGYRREQSLRHV-MDZRGWNJSA-N 2 0 329.488 2.374 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755264 462614966 /nfs/dbraw/zinc/61/49/66/462614966.db2.gz AOLPFUIKSHBLHW-MRXNPFEDSA-N 2 0 347.507 2.076 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000052551761 463090595 /nfs/dbraw/zinc/09/05/95/463090595.db2.gz QAYLELUACZLKCC-GOSISDBHSA-N 2 0 348.466 2.184 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000579333090 468343911 /nfs/dbraw/zinc/34/39/11/468343911.db2.gz OFBAPQYJFMCPNH-YQVWRLOYSA-N 2 0 330.476 2.121 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000139528826 463326379 /nfs/dbraw/zinc/32/63/79/463326379.db2.gz QPYAVADSDHKGBE-IBGZPJMESA-N 2 0 344.503 2.353 10 0 EEAERP C[C@@H]1C[C@@H](N(C)CC(=O)NCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000123875322 463375990 /nfs/dbraw/zinc/37/59/90/463375990.db2.gz IJAQJHHGNYRISR-MJGOQNOKSA-N 2 0 346.519 2.044 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000162578991 463521923 /nfs/dbraw/zinc/52/19/23/463521923.db2.gz PLMFKPOETDOMRI-SFHVURJKSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000073013141 463575413 /nfs/dbraw/zinc/57/54/13/463575413.db2.gz PPHPKQPXPBVGRA-INIZCTEOSA-N 2 0 342.487 2.207 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000151904420 463610725 /nfs/dbraw/zinc/61/07/25/463610725.db2.gz JRBMIMRBPMCVJE-DBVUQKKJSA-N 2 0 332.488 2.447 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000164392427 463622862 /nfs/dbraw/zinc/62/28/62/463622862.db2.gz KGOMRLXNTDJDAM-NEWSRXKRSA-N 2 0 346.519 2.187 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170827041 463715366 /nfs/dbraw/zinc/71/53/66/463715366.db2.gz LUPPVNUNOUPYFH-GOSISDBHSA-N 2 0 332.492 2.374 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1F ZINC000261742018 463845777 /nfs/dbraw/zinc/84/57/77/463845777.db2.gz IMVYWCRVDXLJAG-FQEVSTJZSA-N 2 0 347.478 2.462 10 0 EEAERP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000195122267 463995091 /nfs/dbraw/zinc/99/50/91/463995091.db2.gz XVJGPKAIAKZHBJ-ROUUACIJSA-N 2 0 332.492 2.245 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173928311 464333660 /nfs/dbraw/zinc/33/36/60/464333660.db2.gz MIKPLMBBWBCQSF-IRXDYDNUSA-N 2 0 344.459 2.072 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1C ZINC000174203719 464377363 /nfs/dbraw/zinc/37/73/63/464377363.db2.gz LEHCHTLWYVOIAR-NEWSRXKRSA-N 2 0 346.519 2.283 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000281811801 464595149 /nfs/dbraw/zinc/59/51/49/464595149.db2.gz YZQXHCVYCPPWEF-KBXCAEBGSA-N 2 0 335.467 2.437 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579814573 468416573 /nfs/dbraw/zinc/41/65/73/468416573.db2.gz UNYOZBKVSDDECH-MJGOQNOKSA-N 2 0 336.524 2.426 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247166466 464653892 /nfs/dbraw/zinc/65/38/92/464653892.db2.gz KOLQRVMRYXPXBN-RZFLPCETSA-N 2 0 336.524 2.231 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938915 464762318 /nfs/dbraw/zinc/76/23/18/464762318.db2.gz PIYQJZYAAOHQJJ-SCTDSRPQSA-N 2 0 346.519 2.295 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428759 464862875 /nfs/dbraw/zinc/86/28/75/464862875.db2.gz XLKNAFNTNFPRSW-GJZGRUSLSA-N 2 0 347.459 2.122 10 0 EEAERP COC(=O)c1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1C ZINC000347997187 465360995 /nfs/dbraw/zinc/36/09/95/465360995.db2.gz HIISPMTYYQPQDW-UHFFFAOYSA-N 2 0 333.407 2.302 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298964177 465551665 /nfs/dbraw/zinc/55/16/65/465551665.db2.gz YKBPLTZINFMRCF-OTWHNJEPSA-N 2 0 344.503 2.085 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000353209953 465717967 /nfs/dbraw/zinc/71/79/67/465717967.db2.gz VJZYTISXEDGFAK-HKUYNNGSSA-N 2 0 331.504 2.469 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccco1 ZINC000357549256 466125313 /nfs/dbraw/zinc/12/53/13/466125313.db2.gz UNGWIMWVJAPISL-HOCLYGCPSA-N 2 0 334.464 2.198 10 0 EEAERP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000346981013 466295039 /nfs/dbraw/zinc/29/50/39/466295039.db2.gz MHTKQXDSQWKTLO-IBGZPJMESA-N 2 0 336.439 2.413 10 0 EEAERP CC(C)COC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000358204043 466539041 /nfs/dbraw/zinc/53/90/41/466539041.db2.gz FBJOMLKMNXBURM-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCC2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000422794522 466683408 /nfs/dbraw/zinc/68/34/08/466683408.db2.gz YVWKSAHXLLXJOW-INIZCTEOSA-N 3 0 339.524 2.019 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000417061654 466768505 /nfs/dbraw/zinc/76/85/05/466768505.db2.gz FZIPKNNRDLPBAH-GOSISDBHSA-N 2 0 326.444 2.247 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417087929 466776217 /nfs/dbraw/zinc/77/62/17/466776217.db2.gz IRTYDVJPZGHUOP-MAUKXSAKSA-N 2 0 344.503 2.121 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417220303 466806532 /nfs/dbraw/zinc/80/65/32/466806532.db2.gz LGRXBHSPPNOXNR-SUMDDJOVSA-N 2 0 342.487 2.358 10 0 EEAERP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000373724499 466900430 /nfs/dbraw/zinc/90/04/30/466900430.db2.gz CORBJWOYECLTDS-QGZVFWFLSA-N 2 0 345.462 2.344 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417977206 467007953 /nfs/dbraw/zinc/00/79/53/467007953.db2.gz GYUMIIOPNKYABJ-YJJAZYOBSA-N 2 0 344.503 2.431 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417987969 467012114 /nfs/dbraw/zinc/01/21/14/467012114.db2.gz GSZCQIYFWCSYHU-ATLSCFEFSA-N 2 0 330.476 2.028 10 0 EEAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CC[NH+](C)CC4)nc3)C[C@H]2C1 ZINC000424266751 467016967 /nfs/dbraw/zinc/01/69/67/467016967.db2.gz LMMULBVPVCNQQW-QGFMHUBQSA-N 2 0 344.503 2.127 10 0 EEAERP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424296025 467023067 /nfs/dbraw/zinc/02/30/67/467023067.db2.gz RWTCMWGPBWXXHG-CQSZACIVSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@@H+]1Cc1ccccc1 ZINC000418047570 467033003 /nfs/dbraw/zinc/03/30/03/467033003.db2.gz SVDRZBGWKYRPML-WSTZPKSXSA-N 2 0 342.487 2.044 10 0 EEAERP CN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418542935 467126370 /nfs/dbraw/zinc/12/63/70/467126370.db2.gz ARMFELIRULMQMK-MSOLQXFVSA-N 2 0 330.476 2.044 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)CC1 ZINC000418603911 467134396 /nfs/dbraw/zinc/13/43/96/467134396.db2.gz XBOORRUBWXFHMP-OKZBNKHCSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000397587765 467443374 /nfs/dbraw/zinc/44/33/74/467443374.db2.gz KIPIUEDZHNAVMS-IEBWSBKVSA-N 2 0 331.504 2.134 10 0 EEAERP C[C@@]1(CNC[C@H](O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397901257 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330.476 2.109 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000570617968 468665762 /nfs/dbraw/zinc/66/57/62/468665762.db2.gz FJMDHXDVXMGGLX-FPAYPSAMSA-N 2 0 344.503 2.194 10 0 EEAERP CN1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1=O ZINC000571442236 468789618 /nfs/dbraw/zinc/78/96/18/468789618.db2.gz XXOKWORUFZUAOJ-QZTJIDSGSA-N 2 0 327.472 2.394 10 0 EEAERP c1nc(-c2ccccc2)[nH]c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000571622942 468812473 /nfs/dbraw/zinc/81/24/73/468812473.db2.gz HKRYPWKFQGJOGV-UHFFFAOYSA-N 2 0 339.487 2.383 10 0 EEAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000584179796 468815016 /nfs/dbraw/zinc/81/50/16/468815016.db2.gz ZIUGMPPMAQGFSP-FDYSRKEFSA-N 2 0 327.472 2.381 10 0 EEAERP O=C1[C@@H](N2CC[C@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529975 468893393 /nfs/dbraw/zinc/89/33/93/468893393.db2.gz HMLZGPTYLTXVKN-PKOBYXMFSA-N 2 0 331.435 2.397 10 0 EEAERP CN(CCC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cc[nH+]cc1 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469756481 /nfs/dbraw/zinc/75/64/81/469756481.db2.gz BWHVPFKJBGVPOP-BGYRXZFFSA-N 2 0 344.503 2.150 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000626932925 469760213 /nfs/dbraw/zinc/76/02/13/469760213.db2.gz NLJKAKBPWPJAFE-ZWKOTPCHSA-N 2 0 330.476 2.222 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626931971 469760317 /nfs/dbraw/zinc/76/03/17/469760317.db2.gz ORWGEIITWTWPFR-QAPCUYQASA-N 2 0 332.492 2.467 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000627239406 469853864 /nfs/dbraw/zinc/85/38/64/469853864.db2.gz AXOBTNUOGJMMOS-SOLBZPMBSA-N 2 0 330.476 2.043 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000625285765 470112108 /nfs/dbraw/zinc/11/21/08/470112108.db2.gz GNLIXCPDHDYBOQ-QZTJIDSGSA-N 2 0 335.467 2.271 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632861369 470279330 /nfs/dbraw/zinc/27/93/30/470279330.db2.gz MDMIMGQNZHXONM-AQNXPRMDSA-N 2 0 341.499 2.499 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000634735907 470287752 /nfs/dbraw/zinc/28/77/52/470287752.db2.gz UVSZIBJBSOAFMM-MRXNPFEDSA-N 2 0 328.403 2.483 10 0 EEAERP CCN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649306035 470539775 /nfs/dbraw/zinc/53/97/75/470539775.db2.gz VZIKFGCIRCBAMF-WMZOPIPTSA-N 2 0 345.487 2.049 10 0 EEAERP CC(C[NH+]1CCC(C2(O)CC2)CC1)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649670942 470661953 /nfs/dbraw/zinc/66/19/53/470661953.db2.gz BDPGVCNPZIRXTQ-UHFFFAOYSA-N 2 0 336.520 2.096 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)o1 ZINC000647216721 470859684 /nfs/dbraw/zinc/85/96/84/470859684.db2.gz BIESWOOLKRUUKV-DLBZAZTESA-N 2 0 349.475 2.057 10 0 EEAERP Cn1cnc(CCC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000647231228 470863491 /nfs/dbraw/zinc/86/34/91/470863491.db2.gz NHIYERULPBTYBH-UHFFFAOYSA-N 2 0 329.492 2.496 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647326072 470882901 /nfs/dbraw/zinc/88/29/01/470882901.db2.gz XAUBAMLZXBXZCM-FUHWJXTLSA-N 2 0 327.476 2.248 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654532623 471058125 /nfs/dbraw/zinc/05/81/25/471058125.db2.gz YTLULZPRAPODPN-YSHGAJCASA-N 2 0 344.503 2.146 10 0 EEAERP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654560966 471072413 /nfs/dbraw/zinc/07/24/13/471072413.db2.gz XSMYJHZCCFHMSU-WCVJEAGWSA-N 2 0 336.480 2.348 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657307048 471093217 /nfs/dbraw/zinc/09/32/17/471093217.db2.gz HPJIAVLBDPHUMY-WOJBJXKFSA-N 2 0 331.504 2.351 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@]12CCCO2 ZINC000657434948 471135791 /nfs/dbraw/zinc/13/57/91/471135791.db2.gz MHYJQVLSJLQJDL-KURKYZTESA-N 2 0 328.416 2.084 10 0 EEAERP Nc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000645195654 471171967 /nfs/dbraw/zinc/17/19/67/471171967.db2.gz UVGMYAQYTNNDFL-CXAGYDPISA-N 2 0 327.476 2.391 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000657572630 471172777 /nfs/dbraw/zinc/17/27/77/471172777.db2.gz DHUHYFVNVFPRRV-KRWDZBQOSA-N 2 0 343.519 2.449 10 0 EEAERP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000657573175 471172898 /nfs/dbraw/zinc/17/28/98/471172898.db2.gz LJCWYIVCZLCRCO-LPHOPBHVSA-N 2 0 333.520 2.414 10 0 EEAERP CCCc1csc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000666577689 471454289 /nfs/dbraw/zinc/45/42/89/471454289.db2.gz NQAZHBNNCISQBN-ZDUSSCGKSA-N 2 0 341.525 2.489 10 0 EEAERP Cc1ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c(OCC[NH+](C)C)c1 ZINC000659000386 471462089 /nfs/dbraw/zinc/46/20/89/471462089.db2.gz XQYULCCOTMQACX-OAHLLOKOSA-N 2 0 336.480 2.430 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824771 471496309 /nfs/dbraw/zinc/49/63/09/471496309.db2.gz PBYKMQJUAKYICO-OKZBNKHCSA-N 2 0 349.519 2.214 10 0 EEAERP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669555690 471550404 /nfs/dbraw/zinc/55/04/04/471550404.db2.gz AQMBLQNDKCDHHJ-SQGPQFPESA-N 2 0 348.535 2.425 10 0 EEAERP C[C@@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000659438944 471629261 /nfs/dbraw/zinc/62/92/61/471629261.db2.gz PJCMOJOHEIVNDW-WMZOPIPTSA-N 2 0 336.524 2.140 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659454365 471635108 /nfs/dbraw/zinc/63/51/08/471635108.db2.gz DYHSLJSWKDKBIC-ZWKOTPCHSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667082946 471647984 /nfs/dbraw/zinc/64/79/84/471647984.db2.gz GUXDUQFYSBCULF-YOEHRIQHSA-N 2 0 334.464 2.137 10 0 EEAERP C[C@]1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCC[N@@H+]1Cc1ccccc1 ZINC000659484207 471651025 /nfs/dbraw/zinc/65/10/25/471651025.db2.gz PRZTUDIVPLVODU-SKINQDTJSA-N 2 0 342.487 2.092 10 0 EEAERP CCN(C(=O)N[C@H](C)C[NH2+]C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000659639466 471707078 /nfs/dbraw/zinc/70/70/78/471707078.db2.gz ZQNAIRFGGIDYBC-NUJGCVRESA-N 2 0 332.492 2.461 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000661406204 471747583 /nfs/dbraw/zinc/74/75/83/471747583.db2.gz IXRQVMOTQLBMQE-SJORKVTESA-N 2 0 336.524 2.280 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000661406202 471747737 /nfs/dbraw/zinc/74/77/37/471747737.db2.gz IXRQVMOTQLBMQE-IAGOWNOFSA-N 2 0 336.524 2.280 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000654066563 471826173 /nfs/dbraw/zinc/82/61/73/471826173.db2.gz BQNTYOFRRYHNQN-QRVBRYPASA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H](CCCC[NH3+])[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665273341 471986531 /nfs/dbraw/zinc/98/65/31/471986531.db2.gz UXAAGUULNOKXRY-GOSISDBHSA-N 2 0 330.520 2.448 10 0 EEAERP CCCN(C[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662261487 472047705 /nfs/dbraw/zinc/04/77/05/472047705.db2.gz YHOMHLWNIGTVKW-UXHICEINSA-N 2 0 331.504 2.351 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000668419214 472122441 /nfs/dbraw/zinc/12/24/41/472122441.db2.gz XXGXVFQHVICWJC-AWEZNQCLSA-N 2 0 342.443 2.484 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662787508 472250236 /nfs/dbraw/zinc/25/02/36/472250236.db2.gz BJNPBFVXWDWJQO-UHFFFAOYSA-N 2 0 336.480 2.453 10 0 EEAERP C[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662796594 472256282 /nfs/dbraw/zinc/25/62/82/472256282.db2.gz AMJMJQRBCMXNNW-MLGOLLRUSA-N 2 0 339.842 2.470 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000662973477 472313612 /nfs/dbraw/zinc/31/36/12/472313612.db2.gz QSPDCCCTOIVARS-MSOLQXFVSA-N 2 0 333.476 2.036 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000626955095 485695914 /nfs/dbraw/zinc/69/59/14/485695914.db2.gz SRTCGRHKFRQINA-NEWSRXKRSA-N 2 0 344.503 2.338 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000680130867 485896685 /nfs/dbraw/zinc/89/66/85/485896685.db2.gz CHYWPNJXSSCJPB-FQEVSTJZSA-N 2 0 334.423 2.499 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)CC1 ZINC000684926782 486038664 /nfs/dbraw/zinc/03/86/64/486038664.db2.gz ICVDOPKSRRKFFH-MKXGPGLRSA-N 2 0 335.536 2.340 10 0 EEAERP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586475 486646401 /nfs/dbraw/zinc/64/64/01/486646401.db2.gz HJFAZQVUQVUTSE-FUHWJXTLSA-N 2 0 344.503 2.334 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000299739468 490738230 /nfs/dbraw/zinc/73/82/30/490738230.db2.gz OUZLNUNTVGMOEY-GUDVDZBRSA-N 2 0 329.488 2.484 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179464246 527812360 /nfs/dbraw/zinc/81/23/60/527812360.db2.gz VEKLMZDQEFKTKD-QXAKKESOSA-N 2 0 344.503 2.415 10 0 EEAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000459252328 536383200 /nfs/dbraw/zinc/38/32/00/536383200.db2.gz GPJZEQSADWMDRT-QZTJIDSGSA-N 2 0 336.524 2.378 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000726066308 576232659 /nfs/dbraw/zinc/23/26/59/576232659.db2.gz ARQYZFQJRLVXBJ-UHFFFAOYSA-N 2 0 333.476 2.105 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccnn1CC1CCC1 ZINC000924964730 682055082 /nfs/dbraw/zinc/05/50/82/682055082.db2.gz CHQYKCIEADZYFT-QGZVFWFLSA-N 2 0 333.524 2.361 10 0 EEAERP Cc1[nH+]c2cc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)ccc2n1C(CO)CO ZINC000894918110 683401295 /nfs/dbraw/zinc/40/12/95/683401295.db2.gz JIJKEHODRKEPHP-OAHLLOKOSA-N 2 0 346.475 2.155 10 0 EEAERP C[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C[NH+]1CCCC1 ZINC000914243215 683411763 /nfs/dbraw/zinc/41/17/63/683411763.db2.gz GMBIBNBAUAZWAP-MUYFXNHWSA-N 2 0 336.524 2.425 10 0 EEAERP COc1cc(OC)cc(N2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262089280 683565028 /nfs/dbraw/zinc/56/50/28/683565028.db2.gz UQJFGENKVZDKPS-LJQANCHMSA-N 2 0 333.476 2.216 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccnnc3)cc2)CC1 ZINC000924691045 693169249 /nfs/dbraw/zinc/16/92/49/693169249.db2.gz ANTFWOMUUXSHKK-QGZVFWFLSA-N 2 0 339.487 2.465 10 0 EEAERP CCN(C(=O)[C@@H]([NH2+]C(C)C)c1ccc(OC)cc1)[C@H]1CC[N@H+](C)C1 ZINC000898588205 693380057 /nfs/dbraw/zinc/38/00/57/693380057.db2.gz WYEGFAXHFPSOCE-WMZOPIPTSA-N 2 0 333.476 2.287 10 0 EEAERP C[NH2+]CCOc1ccccc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000905310268 694607952 /nfs/dbraw/zinc/60/79/52/694607952.db2.gz JSGGMVSSTKTCKI-AGUYFDCRSA-N 2 0 328.416 2.333 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1[C@H]2C[NH+](C/C=C\c3ccccc3)C[C@@H]12 ZINC001485624038 1191866765 /nfs/dbraw/zinc/86/67/65/1191866765.db2.gz UYLCMTKPOAJYJQ-CPOCMIEHSA-N 2 0 341.499 2.336 10 0 EEAERP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC[C@H]1CCCCO1 ZINC001480863687 1176074322 /nfs/dbraw/zinc/07/43/22/1176074322.db2.gz DPDFNRBHPSIQOG-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865238 1176133008 /nfs/dbraw/zinc/13/30/08/1176133008.db2.gz GBBMKZBMKHXHMD-VQIMIIECSA-N 2 0 329.488 2.446 10 0 EEAERP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCOCC)CC1 ZINC001266388863 1176461722 /nfs/dbraw/zinc/46/17/22/1176461722.db2.gz UISLJZPCMCPQDW-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266624692 1177020351 /nfs/dbraw/zinc/02/03/51/1177020351.db2.gz LZRNJSGTOVZBGL-KZNAEPCWSA-N 2 0 339.524 2.159 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001266725679 1177311389 /nfs/dbraw/zinc/31/13/89/1177311389.db2.gz PSNOHMQYOVZUAJ-RWMBFGLXSA-N 2 0 336.307 2.149 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCCCF)C1 ZINC001691171030 1177668979 /nfs/dbraw/zinc/66/89/79/1177668979.db2.gz LWYMIZTWYVGSCC-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267015090 1178092639 /nfs/dbraw/zinc/09/26/39/1178092639.db2.gz YZXCKLOBGIHACB-HNNXBMFYSA-N 2 0 327.432 2.262 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001267043786 1178139088 /nfs/dbraw/zinc/13/90/88/1178139088.db2.gz DQDBHOSWNVBIHV-MOPGFXCFSA-N 2 0 331.504 2.253 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001267080945 1178203644 /nfs/dbraw/zinc/20/36/44/1178203644.db2.gz GZHBLUXYWINCSN-CVEARBPZSA-N 2 0 325.472 2.239 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CC[C@@H]2CCOC2)C1 ZINC001267113032 1178271440 /nfs/dbraw/zinc/27/14/40/1178271440.db2.gz BZDPAAQTKYNRRB-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccc(F)cc1 ZINC001480922939 1178452332 /nfs/dbraw/zinc/45/23/32/1178452332.db2.gz IOUIIBPCUYNPDN-QZTJIDSGSA-N 2 0 333.451 2.391 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C[C@H]1CCOC1)C(C)C ZINC001267340557 1178788222 /nfs/dbraw/zinc/78/82/22/1178788222.db2.gz MHCICGCUHUJYOI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]Cc1ccns1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267410369 1178972371 /nfs/dbraw/zinc/97/23/71/1178972371.db2.gz ZDZWADKGINBBGD-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP COCc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001481071295 1179681257 /nfs/dbraw/zinc/68/12/57/1179681257.db2.gz PHVIMTJQZRCAGF-IBGZPJMESA-N 2 0 347.503 2.254 10 0 EEAERP O=C(NCC[N@H+](C[C@@H]1CCCCO1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001481173482 1179991465 /nfs/dbraw/zinc/99/14/65/1179991465.db2.gz GIZBJBLKXAQMLW-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001267697902 1180195846 /nfs/dbraw/zinc/19/58/46/1180195846.db2.gz SEDCXBMGXPOOIJ-AWEZNQCLSA-N 2 0 337.430 2.353 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001481230035 1180363601 /nfs/dbraw/zinc/36/36/01/1180363601.db2.gz DATNWRIJMSGWJQ-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CCC(F)(F)CC1)[NH+](C)C ZINC001481243083 1180419640 /nfs/dbraw/zinc/41/96/40/1180419640.db2.gz DTRXSEMGRQFPFT-HNNXBMFYSA-N 2 0 333.467 2.446 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481279718 1180755170 /nfs/dbraw/zinc/75/51/70/1180755170.db2.gz NRCRQAYCFFODFX-KRWDZBQOSA-N 2 0 331.504 2.317 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cc(C)on2)CC1 ZINC001267917916 1180761638 /nfs/dbraw/zinc/76/16/38/1180761638.db2.gz ULFCFUCAHIVYCE-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001267938440 1180793823 /nfs/dbraw/zinc/79/38/23/1180793823.db2.gz WNUPIVVGZPAFHS-KXBFYZLASA-N 2 0 347.478 2.482 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001267960647 1180847253 /nfs/dbraw/zinc/84/72/53/1180847253.db2.gz KVFVCLJDPWKTCE-OLZOCXBDSA-N 2 0 334.291 2.370 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001481286888 1180864257 /nfs/dbraw/zinc/86/42/57/1180864257.db2.gz QCIWBMXSJIIWKZ-OAHLLOKOSA-N 2 0 336.480 2.104 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCOC(C)C)CCCC1 ZINC001268041895 1181468733 /nfs/dbraw/zinc/46/87/33/1181468733.db2.gz GWRHVTUWZOADOZ-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001481490194 1181553720 /nfs/dbraw/zinc/55/37/20/1181553720.db2.gz DAMMAQCPRKHHRZ-IAGOWNOFSA-N 2 0 330.476 2.026 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502270 1181579522 /nfs/dbraw/zinc/57/95/22/1181579522.db2.gz KCRKPMRBYRRQDM-IRXDYDNUSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001481516598 1181624732 /nfs/dbraw/zinc/62/47/32/1181624732.db2.gz XMYSPMDFCKNHQY-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001268169579 1181932944 /nfs/dbraw/zinc/93/29/44/1181932944.db2.gz CSIDHQQSTAOKNW-HOTGVXAUSA-N 2 0 325.472 2.191 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001481703553 1182247959 /nfs/dbraw/zinc/24/79/59/1182247959.db2.gz UWPVAPRGILGFDS-NSISKUIASA-N 2 0 343.515 2.322 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268411617 1182556281 /nfs/dbraw/zinc/55/62/81/1182556281.db2.gz PHFRNDKKHHIRRU-CQSZACIVSA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1scnc1C ZINC001268425705 1182593168 /nfs/dbraw/zinc/59/31/68/1182593168.db2.gz HADOLAGNNLQQRB-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268440121 1182616130 /nfs/dbraw/zinc/61/61/30/1182616130.db2.gz WSXVZRMRCLZPLX-IBGZPJMESA-N 2 0 329.488 2.208 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C)nc1C ZINC001481813102 1182727680 /nfs/dbraw/zinc/72/76/80/1182727680.db2.gz WTLIOVJJNUSXIE-BPQIPLTHSA-N 2 0 332.492 2.023 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458359 1182735356 /nfs/dbraw/zinc/73/53/56/1182735356.db2.gz LXHAHSKWBCLIQW-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001481845651 1182789895 /nfs/dbraw/zinc/78/98/95/1182789895.db2.gz KCEXHLDPHDZBKG-QGZVFWFLSA-N 2 0 342.487 2.494 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001481939514 1182996936 /nfs/dbraw/zinc/99/69/36/1182996936.db2.gz OTMBGSHOIGBFLZ-WCMGJONUSA-N 2 0 327.900 2.344 10 0 EEAERP C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001481962877 1183036207 /nfs/dbraw/zinc/03/62/07/1183036207.db2.gz HLTRJROALPGBCN-PXNSSMCTSA-N 2 0 344.503 2.332 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001481974750 1183070436 /nfs/dbraw/zinc/07/04/36/1183070436.db2.gz LVIYJUKNVUXVSX-HKUYNNGSSA-N 2 0 333.520 2.347 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F ZINC001268523170 1183176677 /nfs/dbraw/zinc/17/66/77/1183176677.db2.gz POGPUXDGKZZREX-DJSXQKDESA-N 2 0 331.435 2.169 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001268523171 1183177024 /nfs/dbraw/zinc/17/70/24/1183177024.db2.gz POGPUXDGKZZREX-IAFRVXFPSA-N 2 0 331.435 2.169 10 0 EEAERP Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)s1 ZINC001482034753 1183184236 /nfs/dbraw/zinc/18/42/36/1183184236.db2.gz ZQHWFTOMTBKUQM-UHFFFAOYSA-N 2 0 346.500 2.309 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001268588474 1183389643 /nfs/dbraw/zinc/38/96/43/1183389643.db2.gz SCZJODQZKNJWLE-MJSXRHKHSA-N 2 0 337.414 2.166 10 0 EEAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+][C@H](C)c1ccccc1 ZINC001482157040 1183475625 /nfs/dbraw/zinc/47/56/25/1183475625.db2.gz RPVDAWAOIIHPHJ-DLBZAZTESA-N 2 0 347.503 2.200 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001482164584 1183489332 /nfs/dbraw/zinc/48/93/32/1183489332.db2.gz WEOLMWBHHWSADZ-OCCSQVGLSA-N 2 0 342.434 2.428 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001482173957 1183503186 /nfs/dbraw/zinc/50/31/86/1183503186.db2.gz UAYKLVGYIHCOSF-GOEBONIOSA-N 2 0 338.521 2.105 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268803248 1183720987 /nfs/dbraw/zinc/72/09/87/1183720987.db2.gz XRDRLYUXDFXCBK-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCOC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268802751 1183721203 /nfs/dbraw/zinc/72/12/03/1183721203.db2.gz VZRJFWQAIRARNE-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001268957522 1183850457 /nfs/dbraw/zinc/85/04/57/1183850457.db2.gz DSPLGWSNHZAPNS-GASCZTMLSA-N 2 0 348.491 2.363 10 0 EEAERP O=C(NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1)C12CC[NH+](CC1)C2 ZINC001269588721 1184414104 /nfs/dbraw/zinc/41/41/04/1184414104.db2.gz UTHKPUMCIDDAIM-QGZVFWFLSA-N 2 0 349.519 2.060 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001269607188 1184434538 /nfs/dbraw/zinc/43/45/38/1184434538.db2.gz WVMMXHMIGFODFL-WFASDCNBSA-N 2 0 334.291 2.274 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)oc1C ZINC001269709940 1184538725 /nfs/dbraw/zinc/53/87/25/1184538725.db2.gz BGAIFIARPMFXOL-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001269793379 1184625837 /nfs/dbraw/zinc/62/58/37/1184625837.db2.gz YWWLRIJPJMAYMU-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001270031410 1184800173 /nfs/dbraw/zinc/80/01/73/1184800173.db2.gz UWHKATFBWUGQKA-QAQDUYKDSA-N 2 0 339.524 2.304 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001270129647 1184870423 /nfs/dbraw/zinc/87/04/23/1184870423.db2.gz SIDZFFPBCYONLB-LJQANCHMSA-N 2 0 331.504 2.324 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001270453210 1185107057 /nfs/dbraw/zinc/10/70/57/1185107057.db2.gz PCOJMGJQRRGANV-HNNXBMFYSA-N 2 0 327.432 2.189 10 0 EEAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001270719482 1185341514 /nfs/dbraw/zinc/34/15/14/1185341514.db2.gz XDSBRNHUIOOUSX-VQIMIIECSA-N 2 0 339.499 2.439 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001270757547 1185371455 /nfs/dbraw/zinc/37/14/55/1185371455.db2.gz PNVOPRBNJDNRJU-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271067850 1185854990 /nfs/dbraw/zinc/85/49/90/1185854990.db2.gz LIYYNBHAQPVBRI-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1 ZINC001482457042 1185889759 /nfs/dbraw/zinc/88/97/59/1185889759.db2.gz VMSKWCTWUUCJPJ-SFHVURJKSA-N 2 0 332.492 2.284 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001271566434 1186317458 /nfs/dbraw/zinc/31/74/58/1186317458.db2.gz OVPOOTUUCWUHPA-GOEBONIOSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C[NH2+]CCF ZINC001271758854 1186464229 /nfs/dbraw/zinc/46/42/29/1186464229.db2.gz IAUKDNLLUYGMAZ-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CN(CC[N@H+](C)CCC[C@@H]1CCOC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482617998 1187430037 /nfs/dbraw/zinc/43/00/37/1187430037.db2.gz YRHRITSPIMXNBZ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1ccccc1CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001482650293 1187481581 /nfs/dbraw/zinc/48/15/81/1187481581.db2.gz UAAOHEKJDFJAMX-UHFFFAOYSA-N 2 0 331.504 2.278 10 0 EEAERP C[C@H](CC[NH2+]CCCC1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272781236 1193495547 /nfs/dbraw/zinc/49/55/47/1193495547.db2.gz GRKJFVXIIYLMEO-JFIYKMOQSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001482832785 1187752399 /nfs/dbraw/zinc/75/23/99/1187752399.db2.gz XHWQSFVTUYXBOA-LPHOPBHVSA-N 2 0 347.503 2.036 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nccs1 ZINC001482847625 1187765653 /nfs/dbraw/zinc/76/56/53/1187765653.db2.gz GNRGNHWEIJSBBK-HUUCEWRRSA-N 2 0 338.521 2.248 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnc(C)s1 ZINC001483015049 1187999110 /nfs/dbraw/zinc/99/91/10/1187999110.db2.gz CQKLYVPLDMMSNP-APHBUQMISA-N 2 0 336.505 2.088 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001691602693 1188302752 /nfs/dbraw/zinc/30/27/52/1188302752.db2.gz BDCMPLUONAARHH-UHFFFAOYSA-N 2 0 332.492 2.157 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cccc(N(C)C)c1 ZINC001691619095 1188319723 /nfs/dbraw/zinc/31/97/23/1188319723.db2.gz BJTJEVDKGVLMKM-IAGOWNOFSA-N 2 0 346.519 2.173 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483059489 1188352704 /nfs/dbraw/zinc/35/27/04/1188352704.db2.gz SMBLEWHSCVWGHI-LXXRFIIISA-N 2 0 329.488 2.353 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH]ccc-2n1)C1CCC1 ZINC001483140797 1188701486 /nfs/dbraw/zinc/70/14/86/1188701486.db2.gz NXLALBVMXSWPBU-SJKOYZFVSA-N 2 0 330.432 2.086 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001272873134 1193587823 /nfs/dbraw/zinc/58/78/23/1193587823.db2.gz HEEJCIPKIPTSFW-FUHWJXTLSA-N 2 0 340.471 2.439 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)co1 ZINC001272883041 1193591927 /nfs/dbraw/zinc/59/19/27/1193591927.db2.gz XRYRCDYQGBCHJU-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483167406 1189003041 /nfs/dbraw/zinc/00/30/41/1189003041.db2.gz ZXBPVDKYCLEWPN-JKSUJKDBSA-N 2 0 335.467 2.194 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC001483197816 1189083940 /nfs/dbraw/zinc/08/39/40/1189083940.db2.gz RMHJARYFMLANKQ-OAHLLOKOSA-N 2 0 328.460 2.169 10 0 EEAERP CC[N@@H+]1CC[C@H]1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905547886 1189784523 /nfs/dbraw/zinc/78/45/23/1189784523.db2.gz MRFTUERDWBJCHA-SFHVURJKSA-N 2 0 346.544 2.209 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1OC1CC1 ZINC001485955626 1193648260 /nfs/dbraw/zinc/64/82/60/1193648260.db2.gz NUWJVWVVSCUOBL-MRXNPFEDSA-N 2 0 345.487 2.260 10 0 EEAERP CO[C@H](C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1)C1CCCC1 ZINC001409572014 1190053499 /nfs/dbraw/zinc/05/34/99/1190053499.db2.gz AHBWWQJLKBEUFK-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001485943608 1193654056 /nfs/dbraw/zinc/65/40/56/1193654056.db2.gz ZTYNZSBCBKQYTM-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cnccc1C ZINC001483469456 1190491258 /nfs/dbraw/zinc/49/12/58/1190491258.db2.gz REFUGCBQSBLDOC-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cccc(CCC[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001483504344 1190518532 /nfs/dbraw/zinc/51/85/32/1190518532.db2.gz OFSODRAUKFRWNP-UHFFFAOYSA-N 2 0 343.515 2.462 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2OC2CC2)CC1 ZINC001483721745 1190817609 /nfs/dbraw/zinc/81/76/09/1190817609.db2.gz HTBSGHNTPHUPHZ-KRWDZBQOSA-N 2 0 343.471 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH+](CCCOC)C1 ZINC001483800750 1191042175 /nfs/dbraw/zinc/04/21/75/1191042175.db2.gz BONVSDDOKFANOH-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001484142533 1191237439 /nfs/dbraw/zinc/23/74/39/1191237439.db2.gz UEBMDXBAQLQRLW-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484196018 1191267958 /nfs/dbraw/zinc/26/79/58/1191267958.db2.gz OZGLXXVPJGJXJF-LSDHHAIUSA-N 2 0 331.451 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1nc(C)oc1C)C2 ZINC001484320281 1191303261 /nfs/dbraw/zinc/30/32/61/1191303261.db2.gz KYYGSCLETAIQRN-ULQDDVLXSA-N 2 0 348.491 2.102 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001484381531 1191324224 /nfs/dbraw/zinc/32/42/24/1191324224.db2.gz RCDREUDRWRSKIR-MJGOQNOKSA-N 2 0 346.519 2.306 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001484411622 1191338566 /nfs/dbraw/zinc/33/85/66/1191338566.db2.gz AGMBQEIVWZOKIZ-IYBDPMFKSA-N 2 0 343.462 2.154 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001484415031 1191341643 /nfs/dbraw/zinc/34/16/43/1191341643.db2.gz LLJOIFPDCSTPQI-HDICACEKSA-N 2 0 339.499 2.392 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C\Cl ZINC001484460171 1191364915 /nfs/dbraw/zinc/36/49/15/1191364915.db2.gz MVYUBJGGUXZULA-ZMFSOPNWSA-N 2 0 345.890 2.484 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2nocc2C)C1 ZINC001484523106 1191397267 /nfs/dbraw/zinc/39/72/67/1191397267.db2.gz PLXBCRBMBBOYNP-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCCF)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001484556910 1191413113 /nfs/dbraw/zinc/41/31/13/1191413113.db2.gz AGBMGOYLDRTLHF-MRXNPFEDSA-N 2 0 335.467 2.436 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001484572712 1191422357 /nfs/dbraw/zinc/42/23/57/1191422357.db2.gz PQPHLFBOYCBXAX-BZSNNMDCSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001484571757 1191424591 /nfs/dbraw/zinc/42/45/91/1191424591.db2.gz HSDLYCWODFLSRO-AIKGRSRUSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)[N@@H+]1CCc2c(CNC(=O)C[NH+]3CC[C@@H](C)C3)cccc2C1 ZINC001484612640 1191437692 /nfs/dbraw/zinc/43/76/92/1191437692.db2.gz KATOKDGQQDDWSX-MRXNPFEDSA-N 2 0 329.488 2.411 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001485087484 1191648507 /nfs/dbraw/zinc/64/85/07/1191648507.db2.gz LVRFNIWNMRSPTN-VJFUWPCTSA-N 2 0 349.906 2.461 10 0 EEAERP CC(C)=CC[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001485097634 1191654558 /nfs/dbraw/zinc/65/45/58/1191654558.db2.gz AQZBDMFNJCXHTM-UHFFFAOYSA-N 2 0 339.443 2.332 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2cncs2)CC1 ZINC001485242893 1191706812 /nfs/dbraw/zinc/70/68/12/1191706812.db2.gz XPTMFBOTPZWEJA-UHFFFAOYSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ccc(C)c(OCC[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001485285533 1191717073 /nfs/dbraw/zinc/71/70/73/1191717073.db2.gz DMGFQVJBIFEWTM-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2cncc(C)c2)C1 ZINC001485341383 1191746158 /nfs/dbraw/zinc/74/61/58/1191746158.db2.gz HBOFTYWSPIFDEQ-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC001485345264 1191748401 /nfs/dbraw/zinc/74/84/01/1191748401.db2.gz KILZACYEZQQTCU-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC(F)(F)CC1 ZINC001485382708 1191768660 /nfs/dbraw/zinc/76/86/60/1191768660.db2.gz IIQSKRKMCTVBSR-ZFWWWQNUSA-N 2 0 331.451 2.200 10 0 EEAERP COCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001485456352 1191792221 /nfs/dbraw/zinc/79/22/21/1191792221.db2.gz PYPJDVXRVRWDAO-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC(C)C)ccc2c[nH+]cn21 ZINC001486341389 1193834793 /nfs/dbraw/zinc/83/47/93/1193834793.db2.gz SOSUTNFIHWSDJS-QGZVFWFLSA-N 2 0 346.475 2.054 10 0 EEAERP CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC([NH2+]CCCF)C1 ZINC001486480989 1193994885 /nfs/dbraw/zinc/99/48/85/1193994885.db2.gz VXAQEJHRFVENLN-UHFFFAOYSA-N 2 0 325.472 2.047 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1C ZINC001273122869 1194405722 /nfs/dbraw/zinc/40/57/22/1194405722.db2.gz IXQAXUPRNQELNN-HNNXBMFYSA-N 2 0 345.487 2.084 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273123157 1194406299 /nfs/dbraw/zinc/40/62/99/1194406299.db2.gz OFLQGQYCWUGYTF-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)CC1(C)C)[NH+](C)C ZINC001410028242 1197461600 /nfs/dbraw/zinc/46/16/00/1197461600.db2.gz VLYNCVNTNZTHLA-HZPDHXFCSA-N 2 0 337.533 2.457 10 0 EEAERP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)Cc3ccccc3)[C@@H]2C1 ZINC001410140919 1197569842 /nfs/dbraw/zinc/56/98/42/1197569842.db2.gz GOZRIAJSVFKPOZ-CADBVGFASA-N 2 0 347.478 2.161 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001410377433 1197770958 /nfs/dbraw/zinc/77/09/58/1197770958.db2.gz FXBKEKAVFFWTKB-QAPCUYQASA-N 2 0 332.492 2.199 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1 ZINC001410444398 1197924054 /nfs/dbraw/zinc/92/40/54/1197924054.db2.gz BQOMTHNUVFDOEQ-GOEBONIOSA-N 2 0 338.521 2.343 10 0 EEAERP COc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001410486268 1198038690 /nfs/dbraw/zinc/03/86/90/1198038690.db2.gz HWHUAWRTYBDBLT-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccccc1N1CCCC1=O ZINC000872154881 1198063198 /nfs/dbraw/zinc/06/31/98/1198063198.db2.gz DETWMMZBPINLSP-UHFFFAOYSA-N 2 0 346.475 2.203 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC001410508780 1198064428 /nfs/dbraw/zinc/06/44/28/1198064428.db2.gz QTRGVJZNKRXOEW-AWEZNQCLSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255681 1198113458 /nfs/dbraw/zinc/11/34/58/1198113458.db2.gz KWRUATKHZISTNE-AITUJVMLSA-N 2 0 343.471 2.122 10 0 EEAERP CCCn1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)nn1 ZINC000865774854 1198370265 /nfs/dbraw/zinc/37/02/65/1198370265.db2.gz MSUCVFOGSACMDE-UHFFFAOYSA-N 2 0 327.476 2.441 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000865801654 1198381088 /nfs/dbraw/zinc/38/10/88/1198381088.db2.gz BPYSIHLRYNKXBR-PCCBWWKXSA-N 2 0 343.515 2.412 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001410856436 1198507785 /nfs/dbraw/zinc/50/77/85/1198507785.db2.gz NXTYHDRQWJAYSW-LSDHHAIUSA-N 2 0 336.480 2.137 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ocnc3C)[C@H]2C1 ZINC001410914574 1198569477 /nfs/dbraw/zinc/56/94/77/1198569477.db2.gz GZNMEQDKLUINSE-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]Cc2cncs2)C(C)(C)C)C1 ZINC001411211935 1198920285 /nfs/dbraw/zinc/92/02/85/1198920285.db2.gz AFVBBVDJSFTFGF-HIFRSBDPSA-N 2 0 338.521 2.105 10 0 EEAERP C[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000875006545 1199105463 /nfs/dbraw/zinc/10/54/63/1199105463.db2.gz KKEATEXQKAQRST-QXAKKESOSA-N 2 0 346.519 2.171 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2nccc3ccsc32)C[C@H]1C[NH+](C)C ZINC000870017863 1200409511 /nfs/dbraw/zinc/40/95/11/1200409511.db2.gz RMVSIRJSCAETHI-HUUCEWRRSA-N 2 0 346.500 2.108 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1C[NH+](C)C ZINC000870018243 1200409564 /nfs/dbraw/zinc/40/95/64/1200409564.db2.gz YFAUZHGSKLLIJH-RTBURBONSA-N 2 0 329.488 2.375 10 0 EEAERP Cc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Cl ZINC000870022795 1200413406 /nfs/dbraw/zinc/41/34/06/1200413406.db2.gz YRDCOYAQWSDAMM-HUUCEWRRSA-N 2 0 337.895 2.460 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cccc(OC)c1 ZINC000870860378 1200917282 /nfs/dbraw/zinc/91/72/82/1200917282.db2.gz LBILGNJHKZPDGH-JMVFIXPQSA-N 2 0 345.487 2.322 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870872706 1200923194 /nfs/dbraw/zinc/92/31/94/1200923194.db2.gz HCDGBECSACEAFN-XDAPHXNSSA-N 2 0 327.472 2.470 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000871019317 1201009290 /nfs/dbraw/zinc/00/92/90/1201009290.db2.gz XJNGIXCLLAYLEV-MOPGFXCFSA-N 2 0 347.503 2.252 10 0 EEAERP CC(C)CN(CC1CC[NH+](C)CC1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000866261750 1201479108 /nfs/dbraw/zinc/47/91/08/1201479108.db2.gz YXWWCRNVPYXHAL-UHFFFAOYSA-N 2 0 343.479 2.049 10 0 EEAERP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC[N@H+](CC(C)(C)O)C3)CC2)C1 ZINC000866414559 1201511522 /nfs/dbraw/zinc/51/15/22/1201511522.db2.gz PQAKTPAMOXXBMX-YTQUADARSA-N 2 0 337.552 2.464 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001274154625 1204412896 /nfs/dbraw/zinc/41/28/96/1204412896.db2.gz TUOQAAFXGWXHFP-VZSQWMKGSA-N 2 0 344.503 2.272 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001274251845 1204976960 /nfs/dbraw/zinc/97/69/60/1204976960.db2.gz ALLKHHXGLFMCLC-PLNGDYQASA-N 2 0 345.487 2.332 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429799 1205033630 /nfs/dbraw/zinc/03/36/30/1205033630.db2.gz GWIRTEGMTIQYMA-POHSLCEDSA-N 2 0 341.446 2.311 10 0 EEAERP CC/C=C/CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001274867981 1205196699 /nfs/dbraw/zinc/19/66/99/1205196699.db2.gz RWRWHOPSZCQOBG-WRFKIARRSA-N 2 0 349.519 2.130 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC001411611162 1205452650 /nfs/dbraw/zinc/45/26/50/1205452650.db2.gz JGRLUNISXGMMPP-RBUKOAKNSA-N 2 0 331.504 2.396 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC001275632815 1205455017 /nfs/dbraw/zinc/45/50/17/1205455017.db2.gz OHNJZWZOMXNDEV-WWDZGPRUSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001275685816 1205484264 /nfs/dbraw/zinc/48/42/64/1205484264.db2.gz WZCONSYAOSCGBO-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001275976852 1205613995 /nfs/dbraw/zinc/61/39/95/1205613995.db2.gz JQYWQTUKLLLMLS-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001412378463 1205708599 /nfs/dbraw/zinc/70/85/99/1205708599.db2.gz LXXCJWVRINLNHI-INIZCTEOSA-N 2 0 342.418 2.297 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001276047888 1205750700 /nfs/dbraw/zinc/75/07/00/1205750700.db2.gz HDXLYXMTSTZDMI-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924694543 1206020035 /nfs/dbraw/zinc/02/00/35/1206020035.db2.gz MTESNFCDRSBMIX-KRWDZBQOSA-N 2 0 339.487 2.465 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)n(C)n1 ZINC000924967540 1206056545 /nfs/dbraw/zinc/05/65/45/1206056545.db2.gz YLPYDZJYJXMTOX-AZUAARDMSA-N 2 0 347.551 2.057 10 0 EEAERP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC)n1 ZINC000925040377 1206063977 /nfs/dbraw/zinc/06/39/77/1206063977.db2.gz JBNPQWVJWDMLCO-DOTOQJQBSA-N 2 0 332.492 2.299 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925328282 1206097445 /nfs/dbraw/zinc/09/74/45/1206097445.db2.gz VUXWJPVEJGEJJB-QRQLOZEOSA-N 2 0 344.503 2.243 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326834 1206097826 /nfs/dbraw/zinc/09/78/26/1206097826.db2.gz NHIZITZWEFZXGI-ZHALLVOQSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH+](C)CCOc1ccc(CCN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925498237 1206119716 /nfs/dbraw/zinc/11/97/16/1206119716.db2.gz DFQFPXWMZFKING-LJQANCHMSA-N 2 0 331.504 2.434 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925501831 1206120478 /nfs/dbraw/zinc/12/04/78/1206120478.db2.gz DXMFLUPOPGTKSF-HSALFYBXSA-N 2 0 348.487 2.495 10 0 EEAERP COc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)C2=O)cc1 ZINC000925602700 1206134535 /nfs/dbraw/zinc/13/45/35/1206134535.db2.gz WLNFIZKRCORNNE-BQFCYCMXSA-N 2 0 345.487 2.292 10 0 EEAERP Brc1cnn(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925671322 1206141806 /nfs/dbraw/zinc/14/18/06/1206141806.db2.gz PFQCNSWFQDFDSR-GJZGRUSLSA-N 2 0 341.297 2.404 10 0 EEAERP CC(C)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000925815589 1206157242 /nfs/dbraw/zinc/15/72/42/1206157242.db2.gz RXDQFIMPIAWPCU-QGZVFWFLSA-N 2 0 332.448 2.243 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925916406 1206168057 /nfs/dbraw/zinc/16/80/57/1206168057.db2.gz LUXASGAEWIAFNX-MSOLQXFVSA-N 2 0 347.507 2.200 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1cccnc1 ZINC000925919531 1206168411 /nfs/dbraw/zinc/16/84/11/1206168411.db2.gz OBTIOOUUELTGKY-KRWDZBQOSA-N 2 0 347.507 2.200 10 0 EEAERP CC1([NH+]2CCC2)CCC(NC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000927287291 1206250876 /nfs/dbraw/zinc/25/08/76/1206250876.db2.gz ZGXWJWFQHKXLMX-UHFFFAOYSA-N 2 0 334.508 2.131 10 0 EEAERP C[C@]12CN(C[C@H]3CCC4(COC4)O3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000931612581 1207425871 /nfs/dbraw/zinc/42/58/71/1207425871.db2.gz IFFSWBKPXQPJBN-AQNXPRMDSA-N 2 0 342.483 2.388 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001490857022 1210196592 /nfs/dbraw/zinc/19/65/92/1210196592.db2.gz YPZNDDGNKLOPFZ-SFHVURJKSA-N 2 0 345.487 2.132 10 0 EEAERP CC[C@H]1COC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717952032 1211664612 /nfs/dbraw/zinc/66/46/12/1211664612.db2.gz VJFVGSYPXSUFEY-OALUTQOASA-N 2 0 332.488 2.418 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900535678 1234454018 /nfs/dbraw/zinc/45/40/18/1234454018.db2.gz UFELKYKKBYPHRX-GOSISDBHSA-N 2 0 327.472 2.426 10 0 EEAERP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000900538940 1234458565 /nfs/dbraw/zinc/45/85/65/1234458565.db2.gz UWYBCMJBBQNPMQ-MJGOQNOKSA-N 2 0 345.487 2.260 10 0 EEAERP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000901157431 1235292988 /nfs/dbraw/zinc/29/29/88/1235292988.db2.gz NZJAGHATXQLKIP-NEPXVJNWSA-N 2 0 331.504 2.479 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902746509 1238381833 /nfs/dbraw/zinc/38/18/33/1238381833.db2.gz IWXVTSFAFYDXTI-ZIFCJYIRSA-N 2 0 331.504 2.242 10 0 EEAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC000902981924 1239260124 /nfs/dbraw/zinc/26/01/24/1239260124.db2.gz SKDCHHIXDRLINC-FUHWJXTLSA-N 2 0 331.504 2.242 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827075942 1249786458 /nfs/dbraw/zinc/78/64/58/1249786458.db2.gz IICOEHMNOZDUTI-SWLSCSKDSA-N 2 0 338.883 2.281 10 0 EEAERP CC(=O)NCC1CCC([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903379884 1240348167 /nfs/dbraw/zinc/34/81/67/1240348167.db2.gz ZXNVCNYZQCQDHQ-NKELODKYSA-N 2 0 332.492 2.359 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000903494711 1240664781 /nfs/dbraw/zinc/66/47/81/1240664781.db2.gz LSAKBMMQSGUGJY-VBRUWADQSA-N 2 0 344.455 2.119 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](C)COCc1ccccc1)C2 ZINC000903494698 1240664999 /nfs/dbraw/zinc/66/49/99/1240664999.db2.gz LCMBWYDLRBUTPB-QEEHTWDDSA-N 2 0 346.471 2.052 10 0 EEAERP C(CC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C[NH+]1CCCC1 ZINC000903756940 1241850955 /nfs/dbraw/zinc/85/09/55/1241850955.db2.gz XMLYPFYBUURTER-WOJBJXKFSA-N 3 0 335.536 2.343 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1F ZINC000903876229 1242276096 /nfs/dbraw/zinc/27/60/96/1242276096.db2.gz GBIDHFIJXNXNPK-HNNXBMFYSA-N 2 0 334.439 2.126 10 0 EEAERP COc1ccc(CCC[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903885113 1242317615 /nfs/dbraw/zinc/31/76/15/1242317615.db2.gz DSCRSBYJMNQVSW-GOSISDBHSA-N 2 0 344.503 2.419 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cnn1C ZINC000903890306 1242347659 /nfs/dbraw/zinc/34/76/59/1242347659.db2.gz BVINHNYALWCQHJ-RDJZCZTQSA-N 2 0 330.451 2.475 10 0 EEAERP C[C@H]1C[C@H](C[NH2+][C@H](CO)c2ccc(Br)cc2)CC[NH2+]1 ZINC000903940154 1242602819 /nfs/dbraw/zinc/60/28/19/1242602819.db2.gz YRGDYHQYHBOKSG-YWPYICTPSA-N 2 0 327.266 2.460 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935044 1248131640 /nfs/dbraw/zinc/13/16/40/1248131640.db2.gz SHLPQAVLIACMLL-HIFRSBDPSA-N 2 0 338.883 2.424 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)c(C)o1 ZINC001491056192 1258625409 /nfs/dbraw/zinc/62/54/09/1258625409.db2.gz VJBFRXLMPMBGKY-GASCZTMLSA-N 2 0 336.480 2.006 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491122592 1258711526 /nfs/dbraw/zinc/71/15/26/1258711526.db2.gz LCPACPHPDBXUEZ-GOSISDBHSA-N 2 0 347.503 2.227 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491154067 1258731112 /nfs/dbraw/zinc/73/11/12/1258731112.db2.gz ZZULNXPIWCKRPR-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCc1cccs1 ZINC001491495666 1259145830 /nfs/dbraw/zinc/14/58/30/1259145830.db2.gz OZLVPRSXUKZCCT-OAHLLOKOSA-N 2 0 335.517 2.261 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001273476624 1278576160 /nfs/dbraw/zinc/57/61/60/1278576160.db2.gz SWNAUVOERHUTHF-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850135800 1277059694 /nfs/dbraw/zinc/05/96/94/1277059694.db2.gz WGLFBGHMLBECMB-AWEZNQCLSA-N 2 0 343.431 2.366 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCOC1CCC1 ZINC001489268974 1290479521 /nfs/dbraw/zinc/47/95/21/1290479521.db2.gz DNADVCKZPRNIQF-RYRKJORJSA-N 2 0 337.508 2.009 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCCCOC)C2)CC[N@@H+]1C ZINC001490435419 1291349437 /nfs/dbraw/zinc/34/94/37/1291349437.db2.gz LLXCASWCNQSHIB-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855899166 1293360539 /nfs/dbraw/zinc/36/05/39/1293360539.db2.gz HEEWVKOWJZNWNJ-YJBOKZPZSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000856408193 1293516767 /nfs/dbraw/zinc/51/67/67/1293516767.db2.gz IEQWCKJXVKSTPS-KDVLCQBISA-N 2 0 345.487 2.239 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856605268 1293580600 /nfs/dbraw/zinc/58/06/00/1293580600.db2.gz AFHSUJYOLKXVAZ-UYAOXDASSA-N 2 0 346.519 2.469 10 0 EEAERP Cc1cccc([C@H](C)[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549667 1296330019 /nfs/dbraw/zinc/33/00/19/1296330019.db2.gz OPNILDCPMAINDR-QGTPRVQTSA-N 2 0 329.444 2.313 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@H](CNC(=O)CCC[NH+](C)C)C2)s1 ZINC001491119051 1299608286 /nfs/dbraw/zinc/60/82/86/1299608286.db2.gz BHRZZJGMOQHAHQ-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP O=C(NCC1([NH2+]CCOCC2CCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001277194601 1301756181 /nfs/dbraw/zinc/75/61/81/1301756181.db2.gz DCCIFYCJSCIRMP-ZWKOTPCHSA-N 2 0 349.519 2.058 10 0 EEAERP COC[C@H](C)[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001277227303 1301918791 /nfs/dbraw/zinc/91/87/91/1301918791.db2.gz IQYNOYNXTYTYTR-KBPBESRZSA-N 2 0 332.448 2.166 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)on1 ZINC001277314076 1302341885 /nfs/dbraw/zinc/34/18/85/1302341885.db2.gz MVQWVMHLUSTYOL-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001277335351 1302477623 /nfs/dbraw/zinc/47/76/23/1302477623.db2.gz MZRIBGZBDCPGFE-CRAIPNDOSA-N 2 0 346.519 2.415 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001277786187 1304484549 /nfs/dbraw/zinc/48/45/49/1304484549.db2.gz UNGZSCDIEJTLMP-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001277989433 1305612048 /nfs/dbraw/zinc/61/20/48/1305612048.db2.gz XSXVUKHZLFPPON-GOSISDBHSA-N 2 0 343.515 2.460 10 0 EEAERP O=C(N[C@H](C[NH2+]CCC(F)(F)F)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001278281082 1308956156 /nfs/dbraw/zinc/95/61/56/1308956156.db2.gz COURLOIUMMBGEK-CQSZACIVSA-N 2 0 347.425 2.299 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001278302092 1309179067 /nfs/dbraw/zinc/17/90/67/1309179067.db2.gz TWNZIVYTUPSOSL-VQIMIIECSA-N 2 0 347.503 2.020 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000840747652 1315405458 /nfs/dbraw/zinc/40/54/58/1315405458.db2.gz URGLJTKQRMUEOK-RCCFBDPRSA-N 2 0 325.541 2.037 10 0 EEAERP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398028 1315907446 /nfs/dbraw/zinc/90/74/46/1315907446.db2.gz RWJILUVTNRBJLI-HZPDHXFCSA-N 2 0 343.512 2.190 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001278522211 1317135533 /nfs/dbraw/zinc/13/55/33/1317135533.db2.gz VDYOIAIHBKQSCX-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP COCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278528705 1317152814 /nfs/dbraw/zinc/15/28/14/1317152814.db2.gz IOKPQHKHEYZAJL-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001316656120 1329016978 /nfs/dbraw/zinc/01/69/78/1329016978.db2.gz TXXIBLGVSVLAOL-JKSUJKDBSA-N 2 0 344.459 2.167 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001263875224 1322544936 /nfs/dbraw/zinc/54/49/36/1322544936.db2.gz KKFRPYWJJDTRAB-MTNOOBJLSA-N 2 0 349.519 2.057 10 0 EEAERP Cn1cncc1CCC(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001265064349 1322902655 /nfs/dbraw/zinc/90/26/55/1322902655.db2.gz ZPKHJIUKNQWJOH-CQSZACIVSA-N 2 0 342.434 2.226 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265318714 1323068051 /nfs/dbraw/zinc/06/80/51/1323068051.db2.gz BSFNWAAJTOQTMH-LJQANCHMSA-N 2 0 347.503 2.225 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265443866 1323158142 /nfs/dbraw/zinc/15/81/42/1323158142.db2.gz HKDRMURCMUGSJA-IBGZPJMESA-N 2 0 343.515 2.460 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001265459966 1323167270 /nfs/dbraw/zinc/16/72/70/1323167270.db2.gz SPCYNJYUQLJNTO-SFHVURJKSA-N 2 0 347.503 2.213 10 0 EEAERP CC[C@@H](C(=O)NC1CCC([NH2+]CCOc2ccccc2)CC1)[NH+](C)C ZINC001265740780 1323359267 /nfs/dbraw/zinc/35/92/67/1323359267.db2.gz POFIKPQMGBVTLP-TVPLGVNVSA-N 2 0 347.503 2.423 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001266036642 1323587453 /nfs/dbraw/zinc/58/74/53/1323587453.db2.gz ATCXXCNHEUKSLV-IRXDYDNUSA-N 2 0 335.517 2.071 10 0 EEAERP Cc1ccc(C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(C)n1 ZINC001266126534 1323698395 /nfs/dbraw/zinc/69/83/95/1323698395.db2.gz YRWAMCVTDRUXDK-IBGZPJMESA-N 2 0 344.503 2.263 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001266156200 1323724665 /nfs/dbraw/zinc/72/46/65/1323724665.db2.gz WRIXPGSZOVQZIM-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP CCOCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001279295093 1323865923 /nfs/dbraw/zinc/86/59/23/1323865923.db2.gz PGRQDLNCFDCAQA-DAWZGUTISA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ncsc1C[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001279668535 1323974837 /nfs/dbraw/zinc/97/48/37/1323974837.db2.gz BHYFRPDUVXPXLD-MRXNPFEDSA-N 2 0 348.516 2.042 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001279999002 1324054367 /nfs/dbraw/zinc/05/43/67/1324054367.db2.gz DJXDVJBTPNZBNE-CVEARBPZSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001283061836 1325904497 /nfs/dbraw/zinc/90/44/97/1325904497.db2.gz HYSQNLIWSCSASS-LUKYLMHMSA-N 2 0 327.488 2.339 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001283061839 1325904661 /nfs/dbraw/zinc/90/46/61/1325904661.db2.gz HYSQNLIWSCSASS-VQHPVUNQSA-N 2 0 327.488 2.339 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1 ZINC001283072610 1325908720 /nfs/dbraw/zinc/90/87/20/1325908720.db2.gz SWUNNRVWJSXLOU-ZOBUZTSGSA-N 2 0 335.517 2.259 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249350 1325971070 /nfs/dbraw/zinc/97/10/70/1325971070.db2.gz SEGMILFXZHHCPH-AEFFLSMTSA-N 2 0 349.523 2.058 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283545543 1326124051 /nfs/dbraw/zinc/12/40/51/1326124051.db2.gz XPSTXYCXESTUIF-WBVHZDCISA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)C[NH+]1CCCC1 ZINC001284652060 1326647132 /nfs/dbraw/zinc/64/71/32/1326647132.db2.gz DSWVUNFGCIMMCL-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC001284738264 1326689946 /nfs/dbraw/zinc/68/99/46/1326689946.db2.gz WNJQCRQJLKFJRC-KGLIPLIRSA-N 2 0 347.425 2.251 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCF)cc1F ZINC001285005195 1326823391 /nfs/dbraw/zinc/82/33/91/1326823391.db2.gz SYXBMOVIHJKXMR-QGZVFWFLSA-N 2 0 339.430 2.375 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001316638760 1326967977 /nfs/dbraw/zinc/96/79/77/1326967977.db2.gz DSMPMLOHMJRTBC-UFYCRDLUSA-N 2 0 343.515 2.364 10 0 EEAERP COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001316662482 1329974978 /nfs/dbraw/zinc/97/49/78/1329974978.db2.gz KYFTXRAIYYGTTQ-FGTMMUONSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001491579463 1330172088 /nfs/dbraw/zinc/17/20/88/1330172088.db2.gz LJOHZCWLZVTWOT-ROUUACIJSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491839364 1330270259 /nfs/dbraw/zinc/27/02/59/1330270259.db2.gz NSFJIOWWAVPMGM-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]C/C(Cl)=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891009 1330291481 /nfs/dbraw/zinc/29/14/81/1330291481.db2.gz HNZDSADDWQTGTN-ISESHHHUSA-N 2 0 346.302 2.418 10 0 EEAERP CCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001491892567 1330292301 /nfs/dbraw/zinc/29/23/01/1330292301.db2.gz WAVCQOZHVOYVJI-DLBZAZTESA-N 2 0 339.524 2.304 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc3c(c2)COC3)C1 ZINC001491946657 1330338074 /nfs/dbraw/zinc/33/80/74/1330338074.db2.gz GSFCFMLVAFHPHP-LJQANCHMSA-N 2 0 345.487 2.091 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492165650 1331030873 /nfs/dbraw/zinc/03/08/73/1331030873.db2.gz ZCTZNIWJUIQGDX-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001492177112 1331055198 /nfs/dbraw/zinc/05/51/98/1331055198.db2.gz CRNKAKYSBNQPJA-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001316707600 1331858065 /nfs/dbraw/zinc/85/80/65/1331858065.db2.gz AHELVVMAPPBCCK-RDBSUJKOSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1nc(CN(C)CCCNC(=O)[C@H]2CCCC[N@@H+]2C)sc1C ZINC001316836540 1331924131 /nfs/dbraw/zinc/92/41/31/1331924131.db2.gz ZDGYOJZHBMTPRU-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCCCC(F)(F)F)C2)CCC1 ZINC001316983041 1332028478 /nfs/dbraw/zinc/02/84/78/1332028478.db2.gz NKMWWSORAFGPQK-CYBMUJFWSA-N 2 0 335.414 2.394 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317057150 1332064203 /nfs/dbraw/zinc/06/42/03/1332064203.db2.gz AUAVIQVICDPVRW-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001317091254 1332075422 /nfs/dbraw/zinc/07/54/22/1332075422.db2.gz NQCBQZAZFUWSKJ-SHTZXODSSA-N 2 0 344.459 2.297 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317152625 1332101779 /nfs/dbraw/zinc/10/17/79/1332101779.db2.gz GAJLQRILOALFRE-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001317320631 1332177890 /nfs/dbraw/zinc/17/78/90/1332177890.db2.gz APOKVXBCRPJLRR-XMAHJBAKSA-N 2 0 341.499 2.478 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317383161 1332208426 /nfs/dbraw/zinc/20/84/26/1332208426.db2.gz KBLVXDWOKPXHBB-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001317587066 1332310971 /nfs/dbraw/zinc/31/09/71/1332310971.db2.gz DSQAVHALRLJSTH-KRWDZBQOSA-N 2 0 333.451 2.024 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(C)c1 ZINC001318602007 1332566583 /nfs/dbraw/zinc/56/65/83/1332566583.db2.gz FKCICUGVLCVTGH-RBUKOAKNSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC001318906507 1332621257 /nfs/dbraw/zinc/62/12/57/1332621257.db2.gz HYPYHQZKDNWVSQ-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001319129774 1332653404 /nfs/dbraw/zinc/65/34/04/1332653404.db2.gz IHMYTNAJHROYFX-HZPDHXFCSA-N 2 0 343.462 2.488 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cnccc2C)CC[N@@H+]1C ZINC001320420444 1332879024 /nfs/dbraw/zinc/87/90/24/1332879024.db2.gz GBNWVJKJNUTQEO-BPQIPLTHSA-N 2 0 332.492 2.105 10 0 EEAERP Cc1cccc(OCC[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001320464945 1332890499 /nfs/dbraw/zinc/89/04/99/1332890499.db2.gz WBFWSYAZMSGDTI-PKOBYXMFSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccns1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320516392 1332901619 /nfs/dbraw/zinc/90/16/19/1332901619.db2.gz HPEJSJBHDUYUHW-CQSZACIVSA-N 2 0 338.521 2.044 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320928425 1332980719 /nfs/dbraw/zinc/98/07/19/1332980719.db2.gz KGSMYYJZJIDGFW-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320930169 1332981663 /nfs/dbraw/zinc/98/16/63/1332981663.db2.gz VLWWDYHXYLKEKN-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP CC(C)(C[NH+]1CCOCC1)C(=O)NC/C=C/C[NH2+]CC1=CCCCC1 ZINC001321108652 1333021538 /nfs/dbraw/zinc/02/15/38/1333021538.db2.gz GADGFYFBFGURCK-VOTSOKGWSA-N 2 0 349.519 2.107 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]CCOC2CCC2)ccc2c[nH+]cn21 ZINC001321127750 1333026305 /nfs/dbraw/zinc/02/63/05/1333026305.db2.gz WWGPCQDHPMCLKA-NSCUHMNNSA-N 2 0 342.443 2.087 10 0 EEAERP Cc1nccn1CC(=O)NC/C=C\C[NH2+]Cc1cc(C)ccc1F ZINC001321401414 1333094867 /nfs/dbraw/zinc/09/48/67/1333094867.db2.gz HJMVTCSETRZEBS-ARJAWSKDSA-N 2 0 330.407 2.101 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001321405553 1333096763 /nfs/dbraw/zinc/09/67/63/1333096763.db2.gz SINXDDFUAOKUAQ-OWOJBTEDSA-N 2 0 339.842 2.337 10 0 EEAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001321562415 1333124717 /nfs/dbraw/zinc/12/47/17/1333124717.db2.gz CPRDIADQVAACSG-MRXNPFEDSA-N 2 0 341.540 2.265 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322158757 1333219958 /nfs/dbraw/zinc/21/99/58/1333219958.db2.gz CTLQTQDCAPOIMA-BFHYXJOUSA-N 2 0 337.430 2.496 10 0 EEAERP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CN(CC)CCO1)c1ccccc1 ZINC001322841165 1333338356 /nfs/dbraw/zinc/33/83/56/1333338356.db2.gz DNAXADJVJQJYLF-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CCC1CCOCC1 ZINC001322845808 1333340311 /nfs/dbraw/zinc/34/03/11/1333340311.db2.gz XIMAXKQYJCHUTQ-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCOc1ccccc1)C1CC1 ZINC001323022006 1333370839 /nfs/dbraw/zinc/37/08/39/1333370839.db2.gz HTFUVSQYAUIQFP-RTBURBONSA-N 2 0 345.487 2.034 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1)[NH+](C)C ZINC001324261279 1333644537 /nfs/dbraw/zinc/64/45/37/1333644537.db2.gz OYBBONFCWNLZBN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cn1cncc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001325916942 1333993547 /nfs/dbraw/zinc/99/35/47/1333993547.db2.gz ATYXNZMAKILVEL-IAGOWNOFSA-N 2 0 336.455 2.168 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001326429676 1334092618 /nfs/dbraw/zinc/09/26/18/1334092618.db2.gz GVXMQXRWKBIVSS-HOTGVXAUSA-N 2 0 348.491 2.078 10 0 EEAERP CC[NH+](CC)C1CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC001326440238 1334094558 /nfs/dbraw/zinc/09/45/58/1334094558.db2.gz DHBLRGUDABOYJU-UHFFFAOYSA-N 2 0 326.529 2.480 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCCCCF ZINC001327882271 1334359070 /nfs/dbraw/zinc/35/90/70/1334359070.db2.gz QFXHOMRIXPGADW-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCCC(F)(F)F)[C@@H](C)C1 ZINC001327925332 1334365175 /nfs/dbraw/zinc/36/51/75/1334365175.db2.gz NZQXTBDIABVRCJ-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)COCC[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001328733920 1334510275 /nfs/dbraw/zinc/51/02/75/1334510275.db2.gz SGORDLNBQFOMKO-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001329514101 1334666466 /nfs/dbraw/zinc/66/64/66/1334666466.db2.gz AGUYBHQQMPRKMH-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2=CC[NH+](CC3CC3)CC2)C1 ZINC001333405702 1336037340 /nfs/dbraw/zinc/03/73/40/1336037340.db2.gz JBDJOGJDIJLTTN-LJQANCHMSA-N 2 0 337.483 2.357 10 0 EEAERP C[C@@H]1CN(C(=[NH2+])NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000849095172 1338839198 /nfs/dbraw/zinc/83/91/98/1338839198.db2.gz LUUGMJXACIPXAC-QAPCUYQASA-N 2 0 330.476 2.142 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001436354598 1342047613 /nfs/dbraw/zinc/04/76/13/1342047613.db2.gz RYOVAWASTARQSP-FHLIZLRMSA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(F)c1)CC2 ZINC001449016041 1342085113 /nfs/dbraw/zinc/08/51/13/1342085113.db2.gz QVCQADMQMYOKLY-IEBWSBKVSA-N 2 0 333.451 2.391 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](Cc3cccnc3)C2)C1 ZINC001502548292 1342209327 /nfs/dbraw/zinc/20/93/27/1342209327.db2.gz QKTDZMGASRPPBU-HXUWFJFHSA-N 2 0 344.503 2.238 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCCc1ccccc1 ZINC001567050554 1342686510 /nfs/dbraw/zinc/68/65/10/1342686510.db2.gz CCTROYAQNDBJMS-KRWDZBQOSA-N 2 0 331.504 2.445 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567176435 1342705202 /nfs/dbraw/zinc/70/52/02/1342705202.db2.gz LTTHQBOWIJUGHQ-IRXDYDNUSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675920375 1357070185 /nfs/dbraw/zinc/07/01/85/1357070185.db2.gz OVXGGHYRIMHTQV-RDTXWAMCSA-N 2 0 348.491 2.411 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568783127 1342854460 /nfs/dbraw/zinc/85/44/60/1342854460.db2.gz NRQZCJGOYKBWSR-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001570183449 1343028029 /nfs/dbraw/zinc/02/80/29/1343028029.db2.gz KXKGVJFYPAUDKQ-QZTJIDSGSA-N 2 0 341.540 2.216 10 0 EEAERP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570674171 1343100545 /nfs/dbraw/zinc/10/05/45/1343100545.db2.gz SUZHWCMVBUTJOT-SZTZYQKNSA-N 2 0 327.900 2.155 10 0 EEAERP CN(CCOCC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571671942 1343268700 /nfs/dbraw/zinc/26/87/00/1343268700.db2.gz PMVPBMFJTHAJEJ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001676669523 1357178360 /nfs/dbraw/zinc/17/83/60/1357178360.db2.gz VRVRBDDNDLRAPD-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C)o1 ZINC001676693331 1357182015 /nfs/dbraw/zinc/18/20/15/1357182015.db2.gz LSCSFFRBGDGHOX-CRAIPNDOSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001676952423 1357248396 /nfs/dbraw/zinc/24/83/96/1357248396.db2.gz WJOBVXOVXLUXBP-OALUTQOASA-N 2 0 343.515 2.445 10 0 EEAERP COCCC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001677415046 1357329628 /nfs/dbraw/zinc/32/96/28/1357329628.db2.gz PZCGOWJEFQALFC-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CC3CC(F)(F)C3)CC2)CCC1 ZINC001677571053 1357359739 /nfs/dbraw/zinc/35/97/39/1357359739.db2.gz XMDCUGZMXCKLTD-UHFFFAOYSA-N 2 0 341.446 2.264 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001624907896 1352434322 /nfs/dbraw/zinc/43/43/22/1352434322.db2.gz ZSCRTLCWEFQIAM-INIZCTEOSA-N 2 0 332.492 2.355 10 0 EEAERP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001649710985 1353568577 /nfs/dbraw/zinc/56/85/77/1353568577.db2.gz MPJUETJEZBVRJX-HOTGVXAUSA-N 2 0 328.420 2.262 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC001652662144 1354098702 /nfs/dbraw/zinc/09/87/02/1354098702.db2.gz LOOUSCRARIZMTI-INIZCTEOSA-N 2 0 343.512 2.334 10 0 EEAERP COCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001656625234 1354253654 /nfs/dbraw/zinc/25/36/54/1354253654.db2.gz MCFFBKPKRVZLKK-KURKYZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2cccc(N(C)C)c2)C1 ZINC001660303746 1354434816 /nfs/dbraw/zinc/43/48/16/1354434816.db2.gz DEIXSRXEOJHZTM-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1sc(C)nc1C ZINC001660502834 1354476885 /nfs/dbraw/zinc/47/68/85/1354476885.db2.gz ZDCLATRTVROLHW-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C2CC2)no1 ZINC001660545808 1354486233 /nfs/dbraw/zinc/48/62/33/1354486233.db2.gz JONBZIANYOMTTB-GOSISDBHSA-N 2 0 348.491 2.365 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001661310295 1354626383 /nfs/dbraw/zinc/62/63/83/1354626383.db2.gz JDRRKBSEAFDWMQ-ROUUACIJSA-N 2 0 347.528 2.213 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001661435630 1354638622 /nfs/dbraw/zinc/63/86/22/1354638622.db2.gz ZELFFLHCTDJEBE-WKILWMFISA-N 2 0 335.517 2.402 10 0 EEAERP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001661441198 1354639782 /nfs/dbraw/zinc/63/97/82/1354639782.db2.gz NHXNJUNXVGCSRJ-JYJNAYRXSA-N 2 0 339.524 2.037 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001661499145 1354646264 /nfs/dbraw/zinc/64/62/64/1354646264.db2.gz SEGDLVOXOWBDHX-WKILWMFISA-N 2 0 339.430 2.434 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001661823777 1354703840 /nfs/dbraw/zinc/70/38/40/1354703840.db2.gz YCDMMSZCRYMEPI-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664008256 1355072107 /nfs/dbraw/zinc/07/21/07/1355072107.db2.gz FEIHNKJKUIATJV-MOPGFXCFSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001664195645 1355110882 /nfs/dbraw/zinc/11/08/82/1355110882.db2.gz PIEZRMKMBOXERM-NXHRZFHOSA-N 2 0 335.467 2.128 10 0 EEAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001664200521 1355111272 /nfs/dbraw/zinc/11/12/72/1355111272.db2.gz QTQLZJGDFFQWPC-TZJYRCSTSA-N 2 0 343.515 2.426 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001664392168 1355153022 /nfs/dbraw/zinc/15/30/22/1355153022.db2.gz ZIYVJZGUNHWILP-UHFFFAOYSA-N 2 0 347.503 2.428 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001667033120 1355636812 /nfs/dbraw/zinc/63/68/12/1355636812.db2.gz IIFIGEHVPDLGLM-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001667054964 1355640439 /nfs/dbraw/zinc/64/04/39/1355640439.db2.gz VWNCFZGENPGFJL-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cscn1 ZINC001667210097 1355674111 /nfs/dbraw/zinc/67/41/11/1355674111.db2.gz DSJKQINXLAWSBX-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001667306315 1355704291 /nfs/dbraw/zinc/70/42/91/1355704291.db2.gz CLQDIKWHQZQFHP-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001667735602 1355802679 /nfs/dbraw/zinc/80/26/79/1355802679.db2.gz YSWQNRNEXOSAPZ-KBPBESRZSA-N 2 0 347.425 2.442 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668091785 1355867427 /nfs/dbraw/zinc/86/74/27/1355867427.db2.gz CCOFXAZIOWDBDX-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310643 1355921421 /nfs/dbraw/zinc/92/14/21/1355921421.db2.gz WWGXDORYFRHZNM-DZGCQCFKSA-N 2 0 336.480 2.043 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001668847914 1356022125 /nfs/dbraw/zinc/02/21/25/1356022125.db2.gz KCUAMMAOPFFACH-ARJAWSKDSA-N 2 0 344.484 2.281 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C)nc1C ZINC001669206770 1356124797 /nfs/dbraw/zinc/12/47/97/1356124797.db2.gz HIYJZNFCLDAPIL-RURPWVQCSA-N 2 0 344.503 2.335 10 0 EEAERP C[C@@H](C[NH2+]CCCCc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001669716302 1356198749 /nfs/dbraw/zinc/19/87/49/1356198749.db2.gz ULZZTUGRXYNKOW-KRWDZBQOSA-N 2 0 329.488 2.199 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001670091494 1356274030 /nfs/dbraw/zinc/27/40/30/1356274030.db2.gz ZCRSLEUISXIBGC-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(CF)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001670313274 1356317000 /nfs/dbraw/zinc/31/70/00/1356317000.db2.gz VRPDBPGFMACOQX-GOSISDBHSA-N 2 0 335.467 2.436 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001674012433 1356772465 /nfs/dbraw/zinc/77/24/65/1356772465.db2.gz NJBIWEWOKVJBKK-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CN(Cc2ccc(Cl)nc2)C1 ZINC001675370048 1356971919 /nfs/dbraw/zinc/97/19/19/1356971919.db2.gz WZQAVTGLMZZUOR-CYBMUJFWSA-N 2 0 338.883 2.012 10 0 EEAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001675620973 1357017399 /nfs/dbraw/zinc/01/73/99/1357017399.db2.gz HNTVGTUEFPSJOH-OSFIAYCASA-N 2 0 337.508 2.034 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001698677226 1405014774 /nfs/dbraw/zinc/01/47/74/1405014774.db2.gz OZGWRJRWLXXBTF-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001698858971 1405114763 /nfs/dbraw/zinc/11/47/63/1405114763.db2.gz XKMIVZGXVVCQBV-UXHZXRBQSA-N 2 0 327.472 2.232 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001698922134 1405163426 /nfs/dbraw/zinc/16/34/26/1405163426.db2.gz BRDCZEUPRSCKJE-HKUYNNGSSA-N 2 0 344.503 2.203 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C/Cl)C1CC[NH+](CC2CC2)CC1 ZINC001699328080 1405335640 /nfs/dbraw/zinc/33/56/40/1405335640.db2.gz DEUYSROKNPTIPZ-URUMLEIASA-N 2 0 325.884 2.123 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001699843590 1405523097 /nfs/dbraw/zinc/52/30/97/1405523097.db2.gz AAWVDXYPBNKHCL-AEFFLSMTSA-N 2 0 327.488 2.296 10 0 EEAERP CC(C)C[C@@H]([NH3+])c1noc([C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000842586789 769688649 /nfs/dbraw/zinc/68/86/49/769688649.db2.gz PXTQAVSJJFCRIM-QAPCUYQASA-N 2 0 330.432 2.209 10 0 EEAERP COC(OC)c1ccc(F)c(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000818180351 785206243 /nfs/dbraw/zinc/20/62/43/785206243.db2.gz NAVCUEZOPZVTPH-UHFFFAOYSA-N 2 0 340.439 2.319 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000818991181 785356287 /nfs/dbraw/zinc/35/62/87/785356287.db2.gz YKJZWGVLFSJBLF-GOSISDBHSA-N 2 0 336.476 2.449 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000819052762 785377148 /nfs/dbraw/zinc/37/71/48/785377148.db2.gz DPCKKJSBRCYVIF-AZUAARDMSA-N 2 0 331.504 2.095 10 0 EEAERP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000912809440 788377575 /nfs/dbraw/zinc/37/75/75/788377575.db2.gz GZSPLPPWFCKRDG-FUHWJXTLSA-N 2 0 332.492 2.487 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918539 788475842 /nfs/dbraw/zinc/47/58/42/788475842.db2.gz FLXWPBDPZFEXJB-MOPGFXCFSA-N 2 0 327.472 2.205 10 0 EEAERP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000711309663 788630723 /nfs/dbraw/zinc/63/07/23/788630723.db2.gz APMTWWIIDDWGAO-GOSISDBHSA-N 2 0 329.488 2.260 10 0 EEAERP CCOc1ccc(OC[C@@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923328065 789372739 /nfs/dbraw/zinc/37/27/39/789372739.db2.gz JLKCCXCMMCWYDQ-WFVVYAPDSA-N 2 0 334.460 2.040 10 0 EEAERP C(C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323565 789382423 /nfs/dbraw/zinc/38/24/23/789382423.db2.gz JFFHDXZJUFLCGC-IFFAKLHKSA-N 2 0 329.492 2.324 10 0 EEAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000923420352 789536315 /nfs/dbraw/zinc/53/63/15/789536315.db2.gz HZIUVYYKQMQANR-WQAKAFBOSA-N 2 0 333.259 2.449 10 0 EEAERP Cc1ccc(C)c(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923457566 789574490 /nfs/dbraw/zinc/57/44/90/789574490.db2.gz JHGGTNPKEKFOSC-INIZCTEOSA-N 2 0 331.460 2.072 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC000923511140 789698239 /nfs/dbraw/zinc/69/82/39/789698239.db2.gz ZPIILDSLYSICLC-FXAWDEMLSA-N 2 0 343.515 2.384 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000915135151 795669888 /nfs/dbraw/zinc/66/98/88/795669888.db2.gz FABHYAKREQBFPK-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](C)CCCc2cccnc2)cnn1C ZINC000903929226 796153509 /nfs/dbraw/zinc/15/35/09/796153509.db2.gz CIZHCJJOXIVUOT-QAPCUYQASA-N 2 0 329.492 2.242 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000922241406 800008647 /nfs/dbraw/zinc/00/86/47/800008647.db2.gz IEOWXQAUMOODOC-INIZCTEOSA-N 2 0 335.540 2.439 10 0 EEAERP Cc1c[nH+]c(C2CCOCC2)n1CCNC(=O)C[NH+]1CCCCCC1 ZINC000581813025 803104343 /nfs/dbraw/zinc/10/43/43/803104343.db2.gz KZZVTDKAHZRCKN-UHFFFAOYSA-N 2 0 348.491 2.078 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2cnn(C(C)(C)C)c2)CCC1 ZINC001566460901 1125620146 /nfs/dbraw/zinc/62/01/46/1125620146.db2.gz GWZGSNDQUJZSRF-UHFFFAOYSA-N 2 0 349.523 2.061 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cnccn1 ZINC001566497995 1125664728 /nfs/dbraw/zinc/66/47/28/1125664728.db2.gz PAKMRXARNMGDTA-FUHWJXTLSA-N 2 0 347.507 2.239 10 0 EEAERP Cc1cncc(CN2CCCC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001437036174 1088877555 /nfs/dbraw/zinc/87/75/55/1088877555.db2.gz IRFWSJWYFOQFQD-VQIMIIECSA-N 2 0 344.503 2.203 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc3c(c2)COC3)CC[N@@H+]1C ZINC001437128330 1089114391 /nfs/dbraw/zinc/11/43/91/1089114391.db2.gz GREJRGXFMAQOTP-MDASCCDHSA-N 2 0 345.487 2.041 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)s1 ZINC001437212871 1089292944 /nfs/dbraw/zinc/29/29/44/1089292944.db2.gz HGMJUJKAJPNUFF-CZUORRHYSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccccc1N(C)C ZINC001437567671 1090049371 /nfs/dbraw/zinc/04/93/71/1090049371.db2.gz YGYRJCBNWPZMCS-IAGOWNOFSA-N 2 0 346.519 2.173 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@H]1CCCC1(F)F ZINC001437591389 1090086987 /nfs/dbraw/zinc/08/69/87/1090086987.db2.gz RDOGPIULSUVGNE-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001437723255 1090275947 /nfs/dbraw/zinc/27/59/47/1090275947.db2.gz DPJJKZQRTPLYTA-QUCCMNQESA-N 2 0 343.515 2.317 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cc(C)no1 ZINC001438320202 1090795562 /nfs/dbraw/zinc/79/55/62/1090795562.db2.gz CVFXAZBRKDSHLT-DOTOQJQBSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001445568800 1091347102 /nfs/dbraw/zinc/34/71/02/1091347102.db2.gz CEACDXVOJSAKKQ-ZDUSSCGKSA-N 2 0 336.480 2.230 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]Cc1cncs1 ZINC001438771709 1091356495 /nfs/dbraw/zinc/35/64/95/1091356495.db2.gz KPDIOVBAPGTUKN-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@H](F)CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001438771805 1091357190 /nfs/dbraw/zinc/35/71/90/1091357190.db2.gz CGUNDHLQZYGANR-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cnccc2C)C1 ZINC001445594295 1091386664 /nfs/dbraw/zinc/38/66/64/1091386664.db2.gz OLXZKYIMPRJUKO-IRXDYDNUSA-N 2 0 332.492 2.106 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCOCC1 ZINC001438800062 1091405879 /nfs/dbraw/zinc/40/58/79/1091405879.db2.gz GCHSRBJQKPHPJH-MSOLQXFVSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001438856616 1091492692 /nfs/dbraw/zinc/49/26/92/1091492692.db2.gz SUDWWNBUANLFRX-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1cncn1CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001445749720 1091583559 /nfs/dbraw/zinc/58/35/59/1091583559.db2.gz CYZYROMJMIPZIN-MRXNPFEDSA-N 2 0 328.460 2.445 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001439114793 1091760042 /nfs/dbraw/zinc/76/00/42/1091760042.db2.gz OBEVPXFHLNZTBE-NVXWUHKLSA-N 2 0 349.523 2.107 10 0 EEAERP Cc1ccc(F)c(CN(C)C[C@@H](C)NC(=O)Cc2cncn2C)c1 ZINC001445850076 1091760956 /nfs/dbraw/zinc/76/09/56/1091760956.db2.gz GIFVFVRHKJWXLK-CQSZACIVSA-N 2 0 332.423 2.047 10 0 EEAERP Cc1ccc(-c2cc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)on2)cc1 ZINC001439146015 1091789080 /nfs/dbraw/zinc/78/90/80/1091789080.db2.gz CFMKPUMIBOQELG-OAHLLOKOSA-N 2 0 344.459 2.196 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)sc1C ZINC001439215735 1091859255 /nfs/dbraw/zinc/85/92/55/1091859255.db2.gz SYJPYHZTAIECAH-BLLLJJGKSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)n1 ZINC001439367217 1092096956 /nfs/dbraw/zinc/09/69/56/1092096956.db2.gz OVSNLHNPVXDGSG-IAGOWNOFSA-N 2 0 346.519 2.483 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001446150700 1092196180 /nfs/dbraw/zinc/19/61/80/1092196180.db2.gz CUXSXELUCPVODQ-SJORKVTESA-N 2 0 331.435 2.146 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ccns1 ZINC001439517313 1092364231 /nfs/dbraw/zinc/36/42/31/1092364231.db2.gz RWALEWKMWTZWSP-GOEBONIOSA-N 2 0 338.521 2.200 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1nsc2ccccc12 ZINC001439786255 1092743667 /nfs/dbraw/zinc/74/36/67/1092743667.db2.gz YGFIQNCQWWXLGS-AWEZNQCLSA-N 2 0 346.500 2.329 10 0 EEAERP CC[C@@H](C(=O)NC1(C)CC[NH+](CCC[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001439808458 1092771291 /nfs/dbraw/zinc/77/12/91/1092771291.db2.gz QNOFMBCRBNBMFI-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001439925914 1093004848 /nfs/dbraw/zinc/00/48/48/1093004848.db2.gz QGXXEMUQCRSJIC-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP CCc1nocc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001440120582 1093182449 /nfs/dbraw/zinc/18/24/49/1093182449.db2.gz BAOLCNRVNVWFLC-ACHSLPGTSA-N 2 0 348.491 2.048 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001440342834 1093491399 /nfs/dbraw/zinc/49/13/99/1093491399.db2.gz QJTVYWGUSZDTHM-BCBBGWTOSA-N 2 0 325.884 2.240 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440408179 1093601017 /nfs/dbraw/zinc/60/10/17/1093601017.db2.gz DUZYPFMYBWHSNZ-OKZBNKHCSA-N 2 0 344.503 2.106 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001440450076 1093663715 /nfs/dbraw/zinc/66/37/15/1093663715.db2.gz JSGYXZQSYQLOFM-FGTMMUONSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1conc1C ZINC001440465147 1093686781 /nfs/dbraw/zinc/68/67/81/1093686781.db2.gz SWCQYPIOKFMAQX-OKZBNKHCSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001448669398 1093736501 /nfs/dbraw/zinc/73/65/01/1093736501.db2.gz FRWCFLVFASLVOW-LRDDRELGSA-N 2 0 340.537 2.283 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001448730709 1093801717 /nfs/dbraw/zinc/80/17/17/1093801717.db2.gz HWDOJRYQXIQIRH-ZDUSSCGKSA-N 2 0 339.430 2.243 10 0 EEAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001440537766 1093802651 /nfs/dbraw/zinc/80/26/51/1093802651.db2.gz QWQYDRMZRYZSCE-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CC[NH+](C)C)C3)o1 ZINC001440537534 1093802846 /nfs/dbraw/zinc/80/28/46/1093802846.db2.gz KICHCKFAEUXWMQ-VQIMIIECSA-N 2 0 348.491 2.310 10 0 EEAERP C[C@H](CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001448733082 1093804876 /nfs/dbraw/zinc/80/48/76/1093804876.db2.gz ZRWYJJJSBYXEOL-KDOFPFPSSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)OC ZINC001440599868 1093864035 /nfs/dbraw/zinc/86/40/35/1093864035.db2.gz CUFOPQRTYULXDM-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cnc(C[NH+]2CCC3(CCN(C(=O)CC[NH+](C)C)CC3)CC2)o1 ZINC001440691303 1093943562 /nfs/dbraw/zinc/94/35/62/1093943562.db2.gz LVSUDPRCCJDHOF-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(CO)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001440697750 1093948634 /nfs/dbraw/zinc/94/86/34/1093948634.db2.gz BBDPBFFSRLJTJP-QGZVFWFLSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001449029771 1094039230 /nfs/dbraw/zinc/03/92/30/1094039230.db2.gz LUTZTJMYHFVBGC-FUHWJXTLSA-N 2 0 332.492 2.199 10 0 EEAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449033102 1094043983 /nfs/dbraw/zinc/04/39/83/1094043983.db2.gz SCHZITFCQKGVHU-RTBURBONSA-N 2 0 331.504 2.301 10 0 EEAERP COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001449052005 1094067405 /nfs/dbraw/zinc/06/74/05/1094067405.db2.gz XMWBIDQNPFZXGH-WBVHZDCISA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440824285 1094077691 /nfs/dbraw/zinc/07/76/91/1094077691.db2.gz BEPNFCBSIQWIKI-UONOGXRCSA-N 2 0 338.471 2.181 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001440842998 1094099815 /nfs/dbraw/zinc/09/98/15/1094099815.db2.gz PFJQDVJOMGRRBB-KBPBESRZSA-N 2 0 348.491 2.088 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]Cc2ccns2)C(C)(C)C)C1 ZINC001449320318 1094273817 /nfs/dbraw/zinc/27/38/17/1094273817.db2.gz BPXDSSUJNJFQDO-HIFRSBDPSA-N 2 0 338.521 2.105 10 0 EEAERP C[C@H](F)CC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001441133959 1094464190 /nfs/dbraw/zinc/46/41/90/1094464190.db2.gz HHARLILMYDPBBU-LSDHHAIUSA-N 2 0 325.472 2.047 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441163908 1094513361 /nfs/dbraw/zinc/51/33/61/1094513361.db2.gz RYRLEKXDAOBTIV-KGLIPLIRSA-N 2 0 343.462 2.343 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001441205139 1094567631 /nfs/dbraw/zinc/56/76/31/1094567631.db2.gz TVXJJPVBZGNPNT-OAHLLOKOSA-N 2 0 349.906 2.415 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)C1 ZINC001441285841 1094710940 /nfs/dbraw/zinc/71/09/40/1094710940.db2.gz YJLXHDNRBQBWTK-QZTJIDSGSA-N 2 0 333.451 2.092 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441570316 1095338756 /nfs/dbraw/zinc/33/87/56/1095338756.db2.gz OAAVLLQRFDKUJL-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001441620279 1095488065 /nfs/dbraw/zinc/48/80/65/1095488065.db2.gz QRGQPLBDOLUORS-IJEKBPOVSA-N 2 0 348.318 2.475 10 0 EEAERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccn(C(C)C)n2)CC1)[NH+](C)C ZINC001441734281 1095719240 /nfs/dbraw/zinc/71/92/40/1095719240.db2.gz BXEWBBXCKLUJFF-LEOMRAHMSA-N 2 0 349.523 2.321 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(NC(=O)CCC[NH+](C)C)CC2)c(C)o1 ZINC001441738712 1095726502 /nfs/dbraw/zinc/72/65/02/1095726502.db2.gz BYMPUAAUQGJMHN-UHFFFAOYSA-N 2 0 336.480 2.150 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ns2)[C@@H]1C ZINC001441824884 1095872195 /nfs/dbraw/zinc/87/21/95/1095872195.db2.gz NEBAWUMCHCAOLE-GOEBONIOSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001441848229 1095930402 /nfs/dbraw/zinc/93/04/02/1095930402.db2.gz XPTYTEPPJAOSCY-APWZRJJASA-N 2 0 344.503 2.391 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001441942581 1096140869 /nfs/dbraw/zinc/14/08/69/1096140869.db2.gz XHSPWLKGRKVDMA-VIGJRRFGSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442006659 1096209387 /nfs/dbraw/zinc/20/93/87/1096209387.db2.gz HYGZGCZRXMHTEN-IAGOWNOFSA-N 2 0 347.503 2.410 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC001442213434 1096504059 /nfs/dbraw/zinc/50/40/59/1096504059.db2.gz MFXDQQXTOVUIFH-LSDHHAIUSA-N 2 0 331.451 2.296 10 0 EEAERP C[C@H](C(=O)NCC[N@H+](C)C[C@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001442546472 1096909450 /nfs/dbraw/zinc/90/94/50/1096909450.db2.gz WRUJNUOOCTUKKR-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C(=O)NCC[N@H+](C)C[C@@H]1CC(C)(C)CO1)[NH+]1CCCCCC1 ZINC001442546486 1096909598 /nfs/dbraw/zinc/90/95/98/1096909598.db2.gz WRUJNUOOCTUKKR-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001442744691 1097120503 /nfs/dbraw/zinc/12/05/03/1097120503.db2.gz LGFFMQPDOQCEBR-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C)nc1C ZINC001442950455 1097365481 /nfs/dbraw/zinc/36/54/81/1097365481.db2.gz IPTHXUAPIYFXEV-UHFFFAOYSA-N 2 0 344.503 2.122 10 0 EEAERP CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443097148 1097511944 /nfs/dbraw/zinc/51/19/44/1097511944.db2.gz HHTDEKHZWHNWAR-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccc(F)c1F ZINC001444026483 1098544467 /nfs/dbraw/zinc/54/44/67/1098544467.db2.gz CUDNXZZCOIYWBY-AWEZNQCLSA-N 2 0 327.419 2.289 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1F ZINC001444030249 1098549255 /nfs/dbraw/zinc/54/92/55/1098549255.db2.gz HODBJLHNEKGGBD-RDJZCZTQSA-N 2 0 335.467 2.194 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1cnc(C)o1 ZINC001479647462 1098677549 /nfs/dbraw/zinc/67/75/49/1098677549.db2.gz PQPFXWTVCBETGK-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)C[C@@H]1CCCOC1 ZINC001479739468 1098855264 /nfs/dbraw/zinc/85/52/64/1098855264.db2.gz YLDAZEFDCRLSBF-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444667101 1099507024 /nfs/dbraw/zinc/50/70/24/1099507024.db2.gz PCHWZKGNDDICTP-HOTGVXAUSA-N 2 0 335.467 2.434 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001480060593 1099584256 /nfs/dbraw/zinc/58/42/56/1099584256.db2.gz SOIBZFIXIUZGLG-VQIMIIECSA-N 2 0 344.503 2.025 10 0 EEAERP O=C(NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1)C12CC[NH+](CC1)C2 ZINC001480060451 1099584423 /nfs/dbraw/zinc/58/44/23/1099584423.db2.gz QGHMIWIHPVYGLI-QGZVFWFLSA-N 2 0 331.504 2.147 10 0 EEAERP COc1cc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C2CC2)ccc1C ZINC001480062755 1099590966 /nfs/dbraw/zinc/59/09/66/1099590966.db2.gz DQDFWYXXQNTVEZ-SFHVURJKSA-N 2 0 345.487 2.084 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001480064317 1099594037 /nfs/dbraw/zinc/59/40/37/1099594037.db2.gz APJPWBSEYHFSLI-QGZVFWFLSA-N 2 0 339.430 2.289 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480087650 1099645025 /nfs/dbraw/zinc/64/50/25/1099645025.db2.gz POALAGRFUGTCDR-FQEVSTJZSA-N 2 0 343.515 2.495 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001480122150 1099686242 /nfs/dbraw/zinc/68/62/42/1099686242.db2.gz QWDXRTQQVHMFQY-XLIONFOSSA-N 2 0 343.515 2.322 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1)[NH+](C)C ZINC001480144133 1099711382 /nfs/dbraw/zinc/71/13/82/1099711382.db2.gz YKJIZLHMFLDKPY-CAMMJAKZSA-N 2 0 329.488 2.497 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480301832 1100019394 /nfs/dbraw/zinc/01/93/94/1100019394.db2.gz ZYNWHJFSAPFCMF-UXHICEINSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001444939042 1100050599 /nfs/dbraw/zinc/05/05/99/1100050599.db2.gz ZNABUZKLFNFEEC-MJGOQNOKSA-N 2 0 342.487 2.350 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383564 1100180096 /nfs/dbraw/zinc/18/00/96/1100180096.db2.gz QAVUIFIQUUXALL-IAGOWNOFSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001480492369 1100304232 /nfs/dbraw/zinc/30/42/32/1100304232.db2.gz JIQVTECHWCLOCX-APWZRJJASA-N 2 0 346.519 2.413 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@H]1CCc2c1cccc2F ZINC001480574082 1100418080 /nfs/dbraw/zinc/41/80/80/1100418080.db2.gz LNRGHEDMCQMDGH-GUYCJALGSA-N 2 0 331.435 2.003 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001445364310 1100600914 /nfs/dbraw/zinc/60/09/14/1100600914.db2.gz PZVWNSKOPDHBQM-FHLIZLRMSA-N 2 0 335.467 2.481 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001446552277 1101023961 /nfs/dbraw/zinc/02/39/61/1101023961.db2.gz ILAYBRFOOXYCPZ-HKUYNNGSSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)C1 ZINC001495431895 1101150188 /nfs/dbraw/zinc/15/01/88/1101150188.db2.gz CWPZJUNLBPBTSC-GOSISDBHSA-N 2 0 344.503 2.142 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446665961 1101194003 /nfs/dbraw/zinc/19/40/03/1101194003.db2.gz QYYAJKGAYIYTHH-AZUAARDMSA-N 2 0 344.503 2.203 10 0 EEAERP CC(C)Oc1cccc(C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001496835064 1101563442 /nfs/dbraw/zinc/56/34/42/1101563442.db2.gz FFGGSBVGGVXRPQ-UHFFFAOYSA-N 2 0 347.503 2.460 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC=C(Cl)Cl)C1 ZINC001496862268 1101628582 /nfs/dbraw/zinc/62/85/82/1101628582.db2.gz ISRBGCUIPHYRTH-OLZOCXBDSA-N 2 0 334.291 2.180 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+]Cc2cncc(F)c2)CCCC1)C1CCC1 ZINC001495917987 1101761512 /nfs/dbraw/zinc/76/15/12/1101761512.db2.gz AWIREDXMFBOVGY-UHFFFAOYSA-N 2 0 348.466 2.224 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)s1 ZINC001497333326 1102340107 /nfs/dbraw/zinc/34/01/07/1102340107.db2.gz RYFBNGBFHJOMOF-AWEZNQCLSA-N 2 0 338.521 2.312 10 0 EEAERP CCC1([NH2+]CC[C@H]2CCCCO2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447422777 1102625362 /nfs/dbraw/zinc/62/53/62/1102625362.db2.gz AJRMLRVPJHRXNT-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001497549692 1102653712 /nfs/dbraw/zinc/65/37/12/1102653712.db2.gz UKXZJHIIDUJUKG-MQQKUOPWSA-N 2 0 329.435 2.168 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCCF)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001497578802 1102693889 /nfs/dbraw/zinc/69/38/89/1102693889.db2.gz JOBZYXQHAZGVCP-DWTRPJMMSA-N 2 0 325.472 2.263 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001447544118 1102829307 /nfs/dbraw/zinc/82/93/07/1102829307.db2.gz BDDMEAHUWOBGAT-GDBMZVCRSA-N 2 0 325.472 2.047 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CCNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001494017520 1103351481 /nfs/dbraw/zinc/35/14/81/1103351481.db2.gz BQCROUOYUARUNP-AEFFLSMTSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H](CCNC(=O)C[C@@H](C)n3ccnc3)C2)o1 ZINC001494058871 1103446089 /nfs/dbraw/zinc/44/60/89/1103446089.db2.gz ZRNDXMPPBHRPLT-ZBFHGGJFSA-N 2 0 345.447 2.159 10 0 EEAERP C[C@@H]([NH2+]CCc1c(F)cccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447884381 1103514868 /nfs/dbraw/zinc/51/48/68/1103514868.db2.gz AERKEXXGFKWQLR-OLZOCXBDSA-N 2 0 343.874 2.456 10 0 EEAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001447932270 1103630512 /nfs/dbraw/zinc/63/05/12/1103630512.db2.gz MHVZVNDUEWWOAA-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP C[N@H+](C/C=C\c1ccccc1)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494179513 1103654341 /nfs/dbraw/zinc/65/43/41/1103654341.db2.gz FLKUGAPOKFAYRX-JRDMDSSDSA-N 2 0 341.499 2.432 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001494293141 1103836677 /nfs/dbraw/zinc/83/66/77/1103836677.db2.gz OKLKFQNZIHZGOB-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001494632826 1104217111 /nfs/dbraw/zinc/21/71/11/1104217111.db2.gz JNRUKPSZUGOPRQ-IRXDYDNUSA-N 2 0 329.488 2.150 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001480647358 1106815282 /nfs/dbraw/zinc/81/52/82/1106815282.db2.gz ZSMRBXWHHFEUMU-MJGOQNOKSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498059396 1106859806 /nfs/dbraw/zinc/85/98/06/1106859806.db2.gz CRCFGLXDQLHJIN-ZWKOTPCHSA-N 2 0 347.503 2.261 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCOCC)C2)C1 ZINC001480733501 1107002916 /nfs/dbraw/zinc/00/29/16/1107002916.db2.gz NGHWUCFGEBVGLJ-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001498174806 1107025472 /nfs/dbraw/zinc/02/54/72/1107025472.db2.gz RMZKJJMGSCFYJP-UWJYYQICSA-N 2 0 343.515 2.372 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CCC[NH+]1CCCC1 ZINC001498197823 1107067400 /nfs/dbraw/zinc/06/74/00/1107067400.db2.gz WVRRAUZVIJWTSG-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001480803470 1107145970 /nfs/dbraw/zinc/14/59/70/1107145970.db2.gz ITBRUEBKSHVCFG-SJORKVTESA-N 2 0 346.519 2.079 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001454767850 1107618464 /nfs/dbraw/zinc/61/84/64/1107618464.db2.gz JYELTQDRJRUULM-RYQLBKOJSA-N 2 0 348.539 2.236 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001493266583 1107809835 /nfs/dbraw/zinc/80/98/35/1107809835.db2.gz HVRRYUMWNQGBKZ-OAHLLOKOSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1)[NH+](C)C ZINC001493770021 1108644066 /nfs/dbraw/zinc/64/40/66/1108644066.db2.gz WTPMQUYUURLBGJ-LSDHHAIUSA-N 2 0 333.467 2.446 10 0 EEAERP CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001493827344 1108708226 /nfs/dbraw/zinc/70/82/26/1108708226.db2.gz MTINNCDRSUCYKU-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001456039321 1109058610 /nfs/dbraw/zinc/05/86/10/1109058610.db2.gz AUAKXVPCWHMKJC-QZTJIDSGSA-N 2 0 327.472 2.109 10 0 EEAERP CCOC(=O)COCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001459799209 1110248011 /nfs/dbraw/zinc/24/80/11/1110248011.db2.gz SLQLZMJEMUGAAX-UHFFFAOYSA-N 2 0 326.481 2.154 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC001465583995 1110420182 /nfs/dbraw/zinc/42/01/82/1110420182.db2.gz XQYPPEFLZTUTBH-HOTGVXAUSA-N 2 0 341.858 2.493 10 0 EEAERP C[N@@H+]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC001472025765 1110539073 /nfs/dbraw/zinc/53/90/73/1110539073.db2.gz HGPHDVZCJGKCDX-SFHVURJKSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC001479379257 1110688493 /nfs/dbraw/zinc/68/84/93/1110688493.db2.gz SSUVSGNYBLNBBO-FGTMMUONSA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001479415958 1110694026 /nfs/dbraw/zinc/69/40/26/1110694026.db2.gz GAKWKTCGQJCGIF-SHTZXODSSA-N 2 0 336.480 2.123 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2([NH2+]C/C=C\Cl)CC2)C1 ZINC001499352707 1112246238 /nfs/dbraw/zinc/24/62/38/1112246238.db2.gz SFAFWEXCSAIXLX-LWAXHKBTSA-N 2 0 331.863 2.190 10 0 EEAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC001499372575 1112256833 /nfs/dbraw/zinc/25/68/33/1112256833.db2.gz ZDPFVUWLHHZPHT-KURKYZTESA-N 2 0 333.520 2.393 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)o1 ZINC001499573446 1112377645 /nfs/dbraw/zinc/37/76/45/1112377645.db2.gz DVAKBRZGTZPMRS-IBGZPJMESA-N 2 0 348.491 2.058 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001500124633 1112628883 /nfs/dbraw/zinc/62/88/83/1112628883.db2.gz BRKIGGRRLQKRCP-LJQANCHMSA-N 2 0 344.503 2.250 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CCCC2)C1 ZINC001500125371 1112629600 /nfs/dbraw/zinc/62/96/00/1112629600.db2.gz HPNBDTLWSDUEKB-IRXDYDNUSA-N 2 0 335.517 2.464 10 0 EEAERP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](C[C@@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001500226343 1112688126 /nfs/dbraw/zinc/68/81/26/1112688126.db2.gz AZQTXNBPLNYWJM-PBHICJAKSA-N 2 0 343.462 2.487 10 0 EEAERP Cc1csc(C[NH+]2CCC(C)(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001500444514 1112837632 /nfs/dbraw/zinc/83/76/32/1112837632.db2.gz MGORCWAXNMYCPX-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC2CC2)CCC1(F)F)CC(C)(C)C ZINC001500617094 1112979917 /nfs/dbraw/zinc/97/99/17/1112979917.db2.gz PUGYUGOYYBUIEJ-OAHLLOKOSA-N 2 0 345.478 2.448 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001501067239 1113186962 /nfs/dbraw/zinc/18/69/62/1113186962.db2.gz MUWGKZRKPROYDN-VQIMIIECSA-N 2 0 347.503 2.111 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001501067238 1113187170 /nfs/dbraw/zinc/18/71/70/1113187170.db2.gz MUWGKZRKPROYDN-QFBILLFUSA-N 2 0 347.503 2.111 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001501087278 1113194669 /nfs/dbraw/zinc/19/46/69/1113194669.db2.gz MXUYRQWQKDSVDS-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001501650663 1113415363 /nfs/dbraw/zinc/41/53/63/1113415363.db2.gz HSEVGRAOWZDQPR-SFHVURJKSA-N 2 0 344.503 2.286 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001501710744 1113445247 /nfs/dbraw/zinc/44/52/47/1113445247.db2.gz PBOMGQBKKNWFAW-BFYDXBDKSA-N 2 0 327.488 2.341 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCc2ccsc2)CCC1 ZINC001501927860 1113526231 /nfs/dbraw/zinc/52/62/31/1113526231.db2.gz DENBBQMMXRTIOA-INIZCTEOSA-N 2 0 335.517 2.403 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502052813 1113570877 /nfs/dbraw/zinc/57/08/77/1113570877.db2.gz DBPMSUILDLJMAL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1)c1ccccc1 ZINC001502086310 1113582425 /nfs/dbraw/zinc/58/24/25/1113582425.db2.gz CAPYJNBZRRAKNN-IEBWSBKVSA-N 2 0 347.503 2.297 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC001502095348 1113585598 /nfs/dbraw/zinc/58/55/98/1113585598.db2.gz YIJLEUBGXUFSJI-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]C/C=C\c2ccccc2)C1 ZINC001505536389 1114038713 /nfs/dbraw/zinc/03/87/13/1114038713.db2.gz XBRATFZZDGXDHH-TWGQIWQCSA-N 2 0 327.472 2.280 10 0 EEAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001505961096 1114302098 /nfs/dbraw/zinc/30/20/98/1114302098.db2.gz GKZRADMFTNZERF-OAHLLOKOSA-N 2 0 329.448 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506064999 1114389185 /nfs/dbraw/zinc/38/91/85/1114389185.db2.gz HBKYKUDBVJNJQR-INIZCTEOSA-N 2 0 331.504 2.452 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](CCC(C)C)CCO2 ZINC001506723242 1114833430 /nfs/dbraw/zinc/83/34/30/1114833430.db2.gz IYYMWBNGODFJQC-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001506814548 1114891911 /nfs/dbraw/zinc/89/19/11/1114891911.db2.gz YOCSSCLVOGJANT-TVFCKZIOSA-N 2 0 335.536 2.449 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC(C)(C)C3)C[C@H]21 ZINC001506825738 1114897674 /nfs/dbraw/zinc/89/76/74/1114897674.db2.gz MUIZOERLVNNSNB-NNZMDNLPSA-N 2 0 335.536 2.449 10 0 EEAERP C[N@H+](CCCF)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001506964982 1115014351 /nfs/dbraw/zinc/01/43/51/1115014351.db2.gz VVRIXUXKRXWDSS-DLBZAZTESA-N 2 0 325.472 2.286 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@H](OC)C2CCC2)CC1 ZINC001506965646 1115015550 /nfs/dbraw/zinc/01/55/50/1115015550.db2.gz QQYGAJIEGQXFKG-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1=CCCCC1 ZINC001506975494 1115025258 /nfs/dbraw/zinc/02/52/58/1115025258.db2.gz XWJRKXAJDCQABO-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001507003297 1115046639 /nfs/dbraw/zinc/04/66/39/1115046639.db2.gz SZUBMEAYOFIYCF-ROUUACIJSA-N 2 0 333.451 2.247 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001507034848 1115071536 /nfs/dbraw/zinc/07/15/36/1115071536.db2.gz UYZKFCGDSMETNL-AZUAARDMSA-N 2 0 343.515 2.398 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)cs1 ZINC001507037052 1115073685 /nfs/dbraw/zinc/07/36/85/1115073685.db2.gz QEMBHROVKANUKI-INIZCTEOSA-N 2 0 338.521 2.118 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cncs1 ZINC001507128125 1115122999 /nfs/dbraw/zinc/12/29/99/1115122999.db2.gz AVPDFPYXXPOOBG-HUUCEWRRSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001507160873 1115141206 /nfs/dbraw/zinc/14/12/06/1115141206.db2.gz GUYACDBRPQIKEG-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001507807700 1115350134 /nfs/dbraw/zinc/35/01/34/1115350134.db2.gz BAINQASYYVWYNN-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001508066434 1115409435 /nfs/dbraw/zinc/40/94/35/1115409435.db2.gz QHDQTTVIOIKONN-XAHVKCOTSA-N 2 0 327.900 2.297 10 0 EEAERP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001508148213 1115428005 /nfs/dbraw/zinc/42/80/05/1115428005.db2.gz FWZAOIFSJUOJRN-PIMMBPRGSA-N 2 0 333.398 2.004 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001508226836 1115452927 /nfs/dbraw/zinc/45/29/27/1115452927.db2.gz CRJJICNBNNPCOZ-UHFFFAOYSA-N 2 0 329.435 2.122 10 0 EEAERP CCC[N@H+](CC)CCn1c(CC)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001514697837 1118838957 /nfs/dbraw/zinc/83/89/57/1118838957.db2.gz DLQJCLPJGSVEGR-QGZVFWFLSA-N 2 0 348.539 2.247 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001567846244 1124137475 /nfs/dbraw/zinc/13/74/75/1124137475.db2.gz OHCTWNYZRUNVTI-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001567929170 1124187601 /nfs/dbraw/zinc/18/76/01/1124187601.db2.gz XZJNVDPRBWPQIG-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001568113433 1124308966 /nfs/dbraw/zinc/30/89/66/1124308966.db2.gz JAEASJQHOIWCFO-WKILWMFISA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]Cc1ccon1 ZINC001568372329 1124443572 /nfs/dbraw/zinc/44/35/72/1124443572.db2.gz VMWFOSKWJYIPMD-SJLPKXTDSA-N 2 0 348.491 2.267 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001568535848 1124597189 /nfs/dbraw/zinc/59/71/89/1124597189.db2.gz HCZNGUUKILDELF-AEFFLSMTSA-N 2 0 335.467 2.194 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ocnc2C)C1 ZINC001568669901 1124683639 /nfs/dbraw/zinc/68/36/39/1124683639.db2.gz YRHGDSVZXDLADB-GDBMZVCRSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001568695014 1124708677 /nfs/dbraw/zinc/70/86/77/1124708677.db2.gz UGOKUUUHHJPWMZ-AWEZNQCLSA-N 2 0 336.480 2.088 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001568861785 1124886853 /nfs/dbraw/zinc/88/68/53/1124886853.db2.gz AYHPJGOCQVSYMJ-SNAWJCMRSA-N 2 0 349.450 2.081 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569013261 1125041627 /nfs/dbraw/zinc/04/16/27/1125041627.db2.gz IKZJHEBHBZIGIE-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl)[NH+](C)C ZINC001569017255 1125045147 /nfs/dbraw/zinc/04/51/47/1125045147.db2.gz FGPSAIXUSQMLRC-FRRDWIJNSA-N 2 0 338.323 2.251 10 0 EEAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569064765 1125074853 /nfs/dbraw/zinc/07/48/53/1125074853.db2.gz NUFALYGAAZBKPU-HNNXBMFYSA-N 2 0 335.517 2.261 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569213745 1125169787 /nfs/dbraw/zinc/16/97/87/1125169787.db2.gz KPDPDHXMKHFRJE-HUUCEWRRSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H](C)Cc2c[nH]cn2)sc1C ZINC001569247343 1125192644 /nfs/dbraw/zinc/19/26/44/1125192644.db2.gz MHZHTWRRANOAJD-GFCCVEGCSA-N 2 0 349.504 2.300 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001569320182 1125227884 /nfs/dbraw/zinc/22/78/84/1125227884.db2.gz NEBKOOYVIJVYEE-RQTZVJPDSA-N 2 0 345.890 2.436 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001565876981 1125447899 /nfs/dbraw/zinc/44/78/99/1125447899.db2.gz ZZHVKICQRHCHHY-SHTZXODSSA-N 2 0 338.883 2.061 10 0 EEAERP CCC[NH+](CCC)CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364214532 283214211 /nfs/dbraw/zinc/21/42/11/283214211.db2.gz LJIPVNQYCUCZPC-JTDSTZFVSA-N 2 0 339.524 2.147 10 0 EEAERP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCOCC1 ZINC000261873123 283400323 /nfs/dbraw/zinc/40/03/23/283400323.db2.gz OJLDDCVDPWVFSW-UHFFFAOYSA-N 2 0 345.487 2.187 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000078543237 201188288 /nfs/dbraw/zinc/18/82/88/201188288.db2.gz CGZYHCHZHHZODZ-YOEHRIQHSA-N 2 0 338.471 2.458 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000422781163 240220181 /nfs/dbraw/zinc/22/01/81/240220181.db2.gz DVPHNSRDAZLECV-SFHVURJKSA-N 2 0 330.476 2.392 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791503 240227834 /nfs/dbraw/zinc/22/78/34/240227834.db2.gz YPVFKTYFLWFJPK-DZGCQCFKSA-N 2 0 339.867 2.179 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814579 240241543 /nfs/dbraw/zinc/24/15/43/240241543.db2.gz VMHNPFPGAXZIPT-QKLQHJQFSA-N 3 0 349.519 2.139 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423043812 240340945 /nfs/dbraw/zinc/34/09/45/240340945.db2.gz QARJOOORKUIWAJ-CHWSQXEVSA-N 2 0 329.847 2.401 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423469027 240495451 /nfs/dbraw/zinc/49/54/51/240495451.db2.gz CCSXLOXRJHUNLV-OCCSQVGLSA-N 2 0 342.281 2.121 10 0 EEAERP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000043019839 204199304 /nfs/dbraw/zinc/19/93/04/204199304.db2.gz DFXANQXCSMTIOH-CABCVRRESA-N 2 0 326.282 2.475 10 0 EEAERP CC1(C)CCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264059845 246028200 /nfs/dbraw/zinc/02/82/00/246028200.db2.gz VFSJCBDBYTWYLJ-UHFFFAOYSA-N 2 0 345.491 2.178 10 0 EEAERP Cc1ccccc1NC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000174783079 207058164 /nfs/dbraw/zinc/05/81/64/207058164.db2.gz LATUDYZZESYSSF-KRWDZBQOSA-N 2 0 347.503 2.348 10 0 EEAERP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000416203620 533062363 /nfs/dbraw/zinc/06/23/63/533062363.db2.gz YMHPQPHAJCPABM-MRXNPFEDSA-N 2 0 327.472 2.201 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247022185 256015266 /nfs/dbraw/zinc/01/52/66/256015266.db2.gz GDONMNJXKAZJJD-XDNAFOTISA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000119079698 292240953 /nfs/dbraw/zinc/24/09/53/292240953.db2.gz BSZXBKDYBKTWIJ-GDBMZVCRSA-N 2 0 339.430 2.020 10 0 EEAERP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262666734 152304329 /nfs/dbraw/zinc/30/43/29/152304329.db2.gz KRDCEDLAMDMZIZ-UYAOXDASSA-N 2 0 347.503 2.066 10 0 EEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680032 152305712 /nfs/dbraw/zinc/30/57/12/152305712.db2.gz WIOUDNULMKBHQM-WMLDXEAASA-N 2 0 348.491 2.070 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000249104350 160374130 /nfs/dbraw/zinc/37/41/30/160374130.db2.gz QDGYNRLLRRJXTJ-QWFCFKBJSA-N 2 0 337.552 2.418 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000252734003 160392959 /nfs/dbraw/zinc/39/29/59/160392959.db2.gz XTMRDWONJLKJTA-AEFFLSMTSA-N 2 0 332.492 2.290 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000129685742 292361547 /nfs/dbraw/zinc/36/15/47/292361547.db2.gz SGWUMFHKSJCQJX-WMZOPIPTSA-N 2 0 338.540 2.480 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000074270720 159062550 /nfs/dbraw/zinc/06/25/50/159062550.db2.gz APVQWBAQUMCXSH-MRXNPFEDSA-N 2 0 336.455 2.171 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCCn2cccn2)CC1 ZINC000109755388 159352143 /nfs/dbraw/zinc/35/21/43/159352143.db2.gz AMCSXUGOXVYCQD-LJQANCHMSA-N 2 0 333.524 2.155 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000186189548 160061969 /nfs/dbraw/zinc/06/19/69/160061969.db2.gz BDQLJECOAKIVMY-UHFFFAOYSA-N 2 0 347.503 2.479 10 0 EEAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@@H]2C1 ZINC000193626657 160184825 /nfs/dbraw/zinc/18/48/25/160184825.db2.gz BKHKUUZMUFUDBQ-TXEJJXNPSA-N 2 0 325.815 2.301 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194670945 160198317 /nfs/dbraw/zinc/19/83/17/160198317.db2.gz AYCMGFOSZFDNCY-SFHVURJKSA-N 2 0 344.503 2.039 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374439986 167043421 /nfs/dbraw/zinc/04/34/21/167043421.db2.gz WEHFQIRIYBDWOQ-GOSISDBHSA-N 2 0 345.487 2.231 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246111426 274095196 /nfs/dbraw/zinc/09/51/96/274095196.db2.gz HUNMTXJBMWNEQA-IAGOWNOFSA-N 2 0 334.508 2.153 10 0 EEAERP c1nnn(Cc2ccccc2)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000291683393 275329730 /nfs/dbraw/zinc/32/97/30/275329730.db2.gz HYYCQJTXMCPWHA-UHFFFAOYSA-N 2 0 325.460 2.290 10 0 EEAERP C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292179633 275388963 /nfs/dbraw/zinc/38/89/63/275388963.db2.gz QLCVNBADYQMTPS-KSSFIOAISA-N 2 0 333.501 2.049 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(C)sc1C ZINC000337378640 279302958 /nfs/dbraw/zinc/30/29/58/279302958.db2.gz XHNPSRNXHUXBQP-OAHLLOKOSA-N 2 0 338.521 2.248 10 0 EEAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)C1 ZINC000293633852 293257137 /nfs/dbraw/zinc/25/71/37/293257137.db2.gz FOOHJITUEYIFQH-HXUWFJFHSA-N 2 0 327.472 2.450 10 0 EEAERP CC1(C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000397585615 312446672 /nfs/dbraw/zinc/44/66/72/312446672.db2.gz IYFOMXVTTIDRHP-OTWHNJEPSA-N 2 0 344.499 2.417 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414359641 313004702 /nfs/dbraw/zinc/00/47/02/313004702.db2.gz OYUPJNJZKKPCIW-UHFFFAOYSA-N 2 0 330.519 2.363 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000414879303 313106067 /nfs/dbraw/zinc/10/60/67/313106067.db2.gz IKHSKCYVBXMEEG-SFHVURJKSA-N 2 0 342.443 2.449 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416787692 313316531 /nfs/dbraw/zinc/31/65/31/313316531.db2.gz PAFZTJNZGNMENV-CEXWTWQISA-N 2 0 342.487 2.359 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800644 313319778 /nfs/dbraw/zinc/31/97/78/313319778.db2.gz FQEWYWPNODKJOY-ROUUACIJSA-N 2 0 326.444 2.289 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000416891875 313351509 /nfs/dbraw/zinc/35/15/09/313351509.db2.gz VSVILVXIWLXYEN-CRAIPNDOSA-N 2 0 332.492 2.326 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416900031 313354217 /nfs/dbraw/zinc/35/42/17/313354217.db2.gz HPDFUXDWGBRWBQ-IBGZPJMESA-N 2 0 342.487 2.318 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000417008384 313392648 /nfs/dbraw/zinc/39/26/48/313392648.db2.gz INFYRGJXUYDSJF-FGTMMUONSA-N 2 0 336.524 2.138 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1F ZINC000417665324 313560903 /nfs/dbraw/zinc/56/09/03/313560903.db2.gz YJJKREBTMHCXAQ-ZVZYQTTQSA-N 2 0 348.466 2.156 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])c2ccccc2)o1 ZINC000418454329 313817721 /nfs/dbraw/zinc/81/77/21/313817721.db2.gz QEAPUEOTEVLEDQ-SFHVURJKSA-N 2 0 344.459 2.361 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C1CCCC1 ZINC000418601739 313857112 /nfs/dbraw/zinc/85/71/12/313857112.db2.gz UTCVKPKJMQPXQH-FGTMMUONSA-N 2 0 348.466 2.169 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421682948 314141707 /nfs/dbraw/zinc/14/17/07/314141707.db2.gz BRXWSVMIJXEXML-UHFFFAOYSA-N 2 0 333.476 2.230 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422185246 314198617 /nfs/dbraw/zinc/19/86/17/314198617.db2.gz YNBYXPPHSLZSJU-JLAWEPINSA-N 2 0 346.519 2.331 10 0 EEAERP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000527950601 317291371 /nfs/dbraw/zinc/29/13/71/317291371.db2.gz AKRJBUYRXUJZJP-OBKDMQGPSA-N 2 0 330.472 2.312 10 0 EEAERP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000548417662 318387247 /nfs/dbraw/zinc/38/72/47/318387247.db2.gz UJNUPRTZSWWYNW-HOTGVXAUSA-N 2 0 345.487 2.312 10 0 EEAERP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000561194884 318830630 /nfs/dbraw/zinc/83/06/30/318830630.db2.gz FEQMSIBLECZZTG-GUDVDZBRSA-N 2 0 329.488 2.185 10 0 EEAERP CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000563529984 319019793 /nfs/dbraw/zinc/01/97/93/319019793.db2.gz MOXBMCTWZOTWOS-GOSISDBHSA-N 2 0 339.395 2.066 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771827 319212572 /nfs/dbraw/zinc/21/25/72/319212572.db2.gz HWHLJTWEKPCIRX-ZTRSQXPZSA-N 2 0 345.487 2.225 10 0 EEAERP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000574351640 320017850 /nfs/dbraw/zinc/01/78/50/320017850.db2.gz VKARMYKGQLVMFD-QRVBRYPASA-N 2 0 331.504 2.300 10 0 EEAERP C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000575805512 320115959 /nfs/dbraw/zinc/11/59/59/320115959.db2.gz NKWSIHKKJPPZIB-INIZCTEOSA-N 2 0 329.488 2.300 10 0 EEAERP CC(=O)NC1CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000576022564 320134585 /nfs/dbraw/zinc/13/45/85/320134585.db2.gz KXBVRCYNCNSJQJ-UHFFFAOYSA-N 2 0 327.432 2.113 10 0 EEAERP Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000577951286 320285771 /nfs/dbraw/zinc/28/57/71/320285771.db2.gz JLEXEWKDJQHTCF-QGZVFWFLSA-N 2 0 344.503 2.464 10 0 EEAERP [NH3+]Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000579590132 323888131 /nfs/dbraw/zinc/88/81/31/323888131.db2.gz KWSMIJACJGEMJO-MSOLQXFVSA-N 2 0 327.403 2.241 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CC[NH2+]CC1 ZINC000580419919 324058388 /nfs/dbraw/zinc/05/83/88/324058388.db2.gz SXPIFTZKGHRFDF-UHFFFAOYSA-N 2 0 330.476 2.224 10 0 EEAERP CC[NH+]1CCC(Nc2cncc(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000341346655 465122327 /nfs/dbraw/zinc/12/23/27/465122327.db2.gz JVZLVEKWFXAKJS-UHFFFAOYSA-N 2 0 332.496 2.269 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000358659743 465248448 /nfs/dbraw/zinc/24/84/48/465248448.db2.gz FHKBTFZXKGOWGB-GOSISDBHSA-N 2 0 330.476 2.241 10 0 EEAERP CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000347918688 465308806 /nfs/dbraw/zinc/30/88/06/465308806.db2.gz CCOQKBQJJNCOBF-FQEVSTJZSA-N 2 0 341.499 2.451 10 0 EEAERP CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000568288708 468316016 /nfs/dbraw/zinc/31/60/16/468316016.db2.gz IBALUNKWMFXCBG-BPQIPLTHSA-N 2 0 330.476 2.215 10 0 EEAERP CSCCCCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154497478 462775776 /nfs/dbraw/zinc/77/57/76/462775776.db2.gz BOCDGARVNLNTAI-SJPCQFCGSA-N 2 0 339.549 2.289 10 0 EEAERP c1cn(CC[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)cn1 ZINC000131937625 462834645 /nfs/dbraw/zinc/83/46/45/462834645.db2.gz HDIQCQPYZZSXLJ-UHFFFAOYSA-N 2 0 334.427 2.162 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000568384039 468328606 /nfs/dbraw/zinc/32/86/06/468328606.db2.gz TYCOVFSHUHHTLM-UHFFFAOYSA-N 2 0 342.480 2.311 10 0 EEAERP CN(C)c1ncccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156303311 463004922 /nfs/dbraw/zinc/00/49/22/463004922.db2.gz DUKKOXILLIOUJK-QGZVFWFLSA-N 2 0 345.491 2.308 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000067704392 463039986 /nfs/dbraw/zinc/03/99/86/463039986.db2.gz WKUHZMQZNFQZLU-MSOLQXFVSA-N 2 0 332.492 2.381 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000052519287 463084173 /nfs/dbraw/zinc/08/41/73/463084173.db2.gz COEJRPJWNIBOCY-SFHVURJKSA-N 2 0 332.492 2.422 10 0 EEAERP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](C)[C@H](c4ccccc4)[C@@H]3C2)C1=O ZINC000097011086 463303164 /nfs/dbraw/zinc/30/31/64/463303164.db2.gz AQVTVSASNWJNCQ-ZSYWTGECSA-N 2 0 327.472 2.230 10 0 EEAERP C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125458745 463545838 /nfs/dbraw/zinc/54/58/38/463545838.db2.gz ZRSUVLGSZRTSFX-APWZRJJASA-N 2 0 336.476 2.067 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000170829513 463715943 /nfs/dbraw/zinc/71/59/43/463715943.db2.gz GKRFJPPQVAFRHQ-HOTGVXAUSA-N 2 0 338.521 2.477 10 0 EEAERP CCOC(=O)c1csc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000261867557 463882600 /nfs/dbraw/zinc/88/26/00/463882600.db2.gz UYMYONGDRXQKJH-CYBMUJFWSA-N 2 0 337.489 2.499 10 0 EEAERP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)Cc1ccc(F)cc1 ZINC000261899471 463892938 /nfs/dbraw/zinc/89/29/38/463892938.db2.gz HNPVTTBBXZUDNX-QRVBRYPASA-N 2 0 335.467 2.004 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1C ZINC000246113848 464546028 /nfs/dbraw/zinc/54/60/28/464546028.db2.gz HZGKKZQMVKAWBO-BZUAXINKSA-N 2 0 326.529 2.477 10 0 EEAERP C[C@]1(F)CCCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000295462722 464845742 /nfs/dbraw/zinc/84/57/42/464845742.db2.gz QFIPQWCELKJJPD-IBGZPJMESA-N 2 0 349.450 2.281 10 0 EEAERP COCCN1CCC([NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597054285 468429124 /nfs/dbraw/zinc/42/91/24/468429124.db2.gz XVKZLKJLEJKBOU-UHFFFAOYSA-N 2 0 340.851 2.327 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000337357205 465325398 /nfs/dbraw/zinc/32/53/98/465325398.db2.gz FQWRDIDZPOLCFO-HKUYNNGSSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339567224 465354137 /nfs/dbraw/zinc/35/41/37/465354137.db2.gz FXXJLMZHGWBKCW-IKGGRYGDSA-N 2 0 329.488 2.496 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCOc3ccccc32)[C@@H](C)C1 ZINC000348316742 465545875 /nfs/dbraw/zinc/54/58/75/465545875.db2.gz GTZRIEJYHYMFJT-IRXDYDNUSA-N 2 0 345.487 2.464 10 0 EEAERP C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175175 465814332 /nfs/dbraw/zinc/81/43/32/465814332.db2.gz LUDCDKKLLSFOEE-RLFYNMQTSA-N 2 0 334.483 2.178 10 0 EEAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000348900393 465863835 /nfs/dbraw/zinc/86/38/35/465863835.db2.gz MUBCOFPYBYQKFB-LPHOPBHVSA-N 2 0 329.488 2.233 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1CC(c2ccccc2)C1 ZINC000555217038 468465066 /nfs/dbraw/zinc/46/50/66/468465066.db2.gz COCPSHWTZNIOSJ-UHFFFAOYSA-N 2 0 346.519 2.315 10 0 EEAERP CCOC(=O)CCCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361518099 466064171 /nfs/dbraw/zinc/06/41/71/466064171.db2.gz HSLQTVIDRDRNTC-UHFFFAOYSA-N 2 0 335.448 2.336 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000340557875 466170219 /nfs/dbraw/zinc/17/02/19/466170219.db2.gz NNKVQLDBHSZAFY-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000349661255 466179895 /nfs/dbraw/zinc/17/98/95/466179895.db2.gz HNPMUQZBNSGUKU-WMZOPIPTSA-N 2 0 336.524 2.377 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000367529114 466395387 /nfs/dbraw/zinc/39/53/87/466395387.db2.gz YRPHTCGAKXPAFQ-BZSNNMDCSA-N 2 0 336.501 2.194 10 0 EEAERP C[NH+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000354391813 466532844 /nfs/dbraw/zinc/53/28/44/466532844.db2.gz QIDHFPNXSYEUSR-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1ccc(NCCCNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)nc1 ZINC000417059492 466767209 /nfs/dbraw/zinc/76/72/09/466767209.db2.gz IFOUMOKYBCLAGE-HNNXBMFYSA-N 2 0 341.459 2.711 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417221731 466807608 /nfs/dbraw/zinc/80/76/08/466807608.db2.gz OMOJAXVTJDXIEA-WNKDZCFJSA-N 2 0 336.524 2.279 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417323295 466834336 /nfs/dbraw/zinc/83/43/36/466834336.db2.gz GUCSBLIFPWHKOJ-ROUUACIJSA-N 2 0 346.519 2.320 10 0 EEAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000373697874 466891264 /nfs/dbraw/zinc/89/12/64/466891264.db2.gz RTZDTPDAEOGJKI-HXUWFJFHSA-N 2 0 337.552 2.418 10 0 EEAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417709935 466914476 /nfs/dbraw/zinc/91/44/76/466914476.db2.gz WYNKULLHFGZZCD-SFHVURJKSA-N 2 0 347.507 2.125 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000417870627 466964923 /nfs/dbraw/zinc/96/49/23/466964923.db2.gz IWWJWNPMJIZCKI-OQIJWPOYSA-N 2 0 342.487 2.185 10 0 EEAERP CN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418046535 467033587 /nfs/dbraw/zinc/03/35/87/467033587.db2.gz QSWRDFHZOCAQCO-FQEVSTJZSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418586498 467132399 /nfs/dbraw/zinc/13/23/99/467132399.db2.gz FQWCCDRCIOVFES-SQNIBIBYSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[C@H](C)[NH3+] ZINC000418700228 467147589 /nfs/dbraw/zinc/14/75/89/467147589.db2.gz FJXVSYLAYKPJFJ-DLBZAZTESA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414945128 467455304 /nfs/dbraw/zinc/45/53/04/467455304.db2.gz QZJYKBWJBNHXCG-APWZRJJASA-N 3 0 330.520 2.305 10 0 EEAERP C[C@@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449098996 467618111 /nfs/dbraw/zinc/61/81/11/467618111.db2.gz LVCXIOJOJUJWHQ-IRXDYDNUSA-N 2 0 327.476 2.352 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000530966295 468020774 /nfs/dbraw/zinc/02/07/74/468020774.db2.gz UXJNVNDSBXOMKT-SFHVURJKSA-N 2 0 342.487 2.302 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567731180 468198556 /nfs/dbraw/zinc/19/85/56/468198556.db2.gz GXOCICNLAKZCSS-CRAIPNDOSA-N 2 0 330.476 2.129 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000594495360 468609196 /nfs/dbraw/zinc/60/91/96/468609196.db2.gz RBIWEEFKFWFHEV-KXBFYZLASA-N 2 0 345.487 2.076 10 0 EEAERP CCOC(=O)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000600770877 468652348 /nfs/dbraw/zinc/65/23/48/468652348.db2.gz DFFRUVFXFKBTTE-HNNXBMFYSA-N 2 0 336.432 2.047 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000584478049 468881889 /nfs/dbraw/zinc/88/18/89/468881889.db2.gz FSOLPKJCLGQEOM-HZPDHXFCSA-N 2 0 330.476 2.065 10 0 EEAERP CCC[NH+](CCC)CCCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615262531 469195361 /nfs/dbraw/zinc/19/53/61/469195361.db2.gz GLGVGZBQUOXVDQ-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[NH2+]1 ZINC000625859441 469413290 /nfs/dbraw/zinc/41/32/90/469413290.db2.gz PVCHNUAVMIMJKF-GOEBONIOSA-N 2 0 334.464 2.279 10 0 EEAERP C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625940438 469442404 /nfs/dbraw/zinc/44/24/04/469442404.db2.gz ZRWRGKHYPVXMMB-UHFFFAOYSA-N 2 0 334.464 2.411 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000617007542 469568275 /nfs/dbraw/zinc/56/82/75/469568275.db2.gz VKZALZMOOJZKBG-HOTGVXAUSA-N 2 0 339.549 2.193 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000629529584 469573090 /nfs/dbraw/zinc/57/30/90/469573090.db2.gz HPKAXIXGONSAIO-CQSZACIVSA-N 2 0 343.265 2.488 10 0 EEAERP C[C@@H]1CC[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660592 469601065 /nfs/dbraw/zinc/60/10/65/469601065.db2.gz WFMCSBBQPTXOHC-SJLPKXTDSA-N 2 0 330.520 2.447 10 0 EEAERP C[N@H+](CCOCC[NH3+])Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000629665053 469602015 /nfs/dbraw/zinc/60/20/15/469602015.db2.gz NDOHFAMZXICURB-UHFFFAOYSA-N 2 0 343.475 2.467 10 0 EEAERP CCN1CCc2nc(NC(=O)[C@H]3CCn4cc(C)nc4C3)sc2C1 ZINC000623556593 469692474 /nfs/dbraw/zinc/69/24/74/469692474.db2.gz ONIVRQCXTKNYNK-LBPRGKRZSA-N 2 0 345.472 2.227 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[NH2+]1 ZINC000627083517 469808953 /nfs/dbraw/zinc/80/89/53/469808953.db2.gz UMONGGVHOYZFQI-JEBQAFNWSA-N 2 0 326.444 2.279 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000627158028 469828161 /nfs/dbraw/zinc/82/81/61/469828161.db2.gz HDXZMLZWVQBHMY-GBESFXJTSA-N 2 0 344.503 2.085 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624175742 469865382 /nfs/dbraw/zinc/86/53/82/469865382.db2.gz WFQWOGLJTSYATK-IVAOSVALSA-N 2 0 343.515 2.207 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000631837997 470186471 /nfs/dbraw/zinc/18/64/71/470186471.db2.gz YMSPBSTXSVXEMB-PMACEKPBSA-N 2 0 345.531 2.258 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000632287201 470213100 /nfs/dbraw/zinc/21/31/00/470213100.db2.gz YGMIRVUYLLNCIO-ZWKOTPCHSA-N 2 0 330.476 2.145 10 0 EEAERP C[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634771407 470304275 /nfs/dbraw/zinc/30/42/75/470304275.db2.gz UDQSCWMOFKQHHI-RBAQFSTRSA-N 2 0 341.499 2.403 10 0 EEAERP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633063725 470337873 /nfs/dbraw/zinc/33/78/73/470337873.db2.gz FNBOJHOCTLDRQZ-UHFFFAOYSA-N 2 0 349.523 2.171 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)CC(F)F ZINC000645668919 470376671 /nfs/dbraw/zinc/37/66/71/470376671.db2.gz ITAVWLCWLOZTNZ-LSDHHAIUSA-N 2 0 348.482 2.335 10 0 EEAERP C[C@@H]1CC[C@@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000646144519 470543053 /nfs/dbraw/zinc/54/30/53/470543053.db2.gz ZFFDCNSDDKGCQT-NFQUHZNNSA-N 2 0 332.488 2.377 10 0 EEAERP CC(C)Oc1ccnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000649488818 470600711 /nfs/dbraw/zinc/60/07/11/470600711.db2.gz AXHACQCWUFUUSN-UHFFFAOYSA-N 2 0 333.476 2.413 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000646937547 470783684 /nfs/dbraw/zinc/78/36/84/470783684.db2.gz NPUPPXSLEXJZDB-SCTDSRPQSA-N 2 0 345.462 2.200 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000654565107 471073309 /nfs/dbraw/zinc/07/33/09/471073309.db2.gz HUKHGUNXARYPHE-GDAAHCPNSA-N 2 0 344.503 2.289 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2cccc(NCc3ccnn3-c3cc[nH+]cc3)c2)C1 ZINC000657473024 471148094 /nfs/dbraw/zinc/14/80/94/471148094.db2.gz UBEATNXUAIKVQO-HXUWFJFHSA-N 2 0 349.438 2.446 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CCCSCC3)CC2)nc1 ZINC000657870020 471242995 /nfs/dbraw/zinc/24/29/95/471242995.db2.gz MEABRQXTMBEVCV-KRWDZBQOSA-N 2 0 349.548 2.254 10 0 EEAERP CC1(C)CN(CC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000655009477 471248454 /nfs/dbraw/zinc/24/84/54/471248454.db2.gz FWLVEFHMPIOOKF-HXUWFJFHSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341881 471289826 /nfs/dbraw/zinc/28/98/26/471289826.db2.gz KHVIXTCWJORMJP-GHTZIAJQSA-N 2 0 344.547 2.123 10 0 EEAERP COc1c[nH+]ccc1N1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660453457 471349544 /nfs/dbraw/zinc/34/95/44/471349544.db2.gz NPPUXNGNHOAVFC-IRXDYDNUSA-N 2 0 332.492 2.190 10 0 EEAERP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515318 471360270 /nfs/dbraw/zinc/36/02/70/471360270.db2.gz XWLJIPVLZASVMD-GXTWGEPZSA-N 2 0 347.356 2.044 10 0 EEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660676969 471442102 /nfs/dbraw/zinc/44/21/02/471442102.db2.gz VRPUNPSAPRCQGQ-MRXNPFEDSA-N 2 0 344.503 2.415 10 0 EEAERP CCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663656223 471461967 /nfs/dbraw/zinc/46/19/67/471461967.db2.gz WWGAQEMSPOSEHP-KSZLIROESA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420567 471489455 /nfs/dbraw/zinc/48/94/55/471489455.db2.gz QNHXRKQGXPTBTA-NEWSRXKRSA-N 2 0 344.503 2.196 10 0 EEAERP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653145428 471506236 /nfs/dbraw/zinc/50/62/36/471506236.db2.gz VIELVJPVCUBROQ-XGXHKWSGSA-N 2 0 345.462 2.166 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000660903030 471544599 /nfs/dbraw/zinc/54/45/99/471544599.db2.gz MXRWNFLNAOHACF-SLFFLAALSA-N 2 0 334.504 2.146 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000666854144 471563014 /nfs/dbraw/zinc/56/30/14/471563014.db2.gz QIYRDVUYPFZRCV-UHFFFAOYSA-N 2 0 346.466 2.089 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000659609718 471698646 /nfs/dbraw/zinc/69/86/46/471698646.db2.gz LDCSOXYQZKQCSA-KSZLIROESA-N 2 0 348.466 2.136 10 0 EEAERP CCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000659639464 471706661 /nfs/dbraw/zinc/70/66/61/471706661.db2.gz ZQNAIRFGGIDYBC-JFIYKMOQSA-N 2 0 332.492 2.461 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)C2)CC1 ZINC000661403398 471744252 /nfs/dbraw/zinc/74/42/52/471744252.db2.gz LAQYBNINBFYJFI-IRXDYDNUSA-N 2 0 336.524 2.233 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667789603 471905353 /nfs/dbraw/zinc/90/53/53/471905353.db2.gz SWTJWYIXSRGWFM-SFTDATJTSA-N 2 0 343.515 2.481 10 0 EEAERP OC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCSCC1 ZINC000660233224 471912350 /nfs/dbraw/zinc/91/23/50/471912350.db2.gz OBNHWMXFUBMCAB-UHFFFAOYSA-N 2 0 342.549 2.069 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261704 472048134 /nfs/dbraw/zinc/04/81/34/472048134.db2.gz MVTGPSCTDSSZMU-HXUWFJFHSA-N 3 0 343.515 2.351 10 0 EEAERP CC(C)[NH+]1CCN(CCCN2c3ccccc3CC[C@H]2C[NH3+])CC1 ZINC000662304867 472063598 /nfs/dbraw/zinc/06/35/98/472063598.db2.gz NGSLHGBFTDSAOZ-IBGZPJMESA-N 2 0 330.520 2.183 10 0 EEAERP [NH3+]C1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC2(CCC2)C1 ZINC000662683574 472205966 /nfs/dbraw/zinc/20/59/66/472205966.db2.gz SPIPSJBFUSWQGM-UHFFFAOYSA-N 2 0 327.472 2.213 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000662694238 472210052 /nfs/dbraw/zinc/21/00/52/472210052.db2.gz OIVFRABYMDKIMJ-UHFFFAOYSA-N 2 0 330.432 2.250 10 0 EEAERP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662713117 472218636 /nfs/dbraw/zinc/21/86/36/472218636.db2.gz XNKSDWBQCQKLRT-MSOLQXFVSA-N 2 0 329.488 2.388 10 0 EEAERP [NH3+]C1(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000662727176 472223447 /nfs/dbraw/zinc/22/34/47/472223447.db2.gz ZLCPMEXDDRBZGI-IBGZPJMESA-N 2 0 327.472 2.383 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCc2nc[nH]c2C1 ZINC000665989241 472264995 /nfs/dbraw/zinc/26/49/95/472264995.db2.gz HDDHYBTUCILGSH-QFBILLFUSA-N 2 0 338.455 2.468 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000668813943 472279378 /nfs/dbraw/zinc/27/93/78/472279378.db2.gz KYEAGQTUMROYGA-GOSISDBHSA-N 2 0 330.476 2.224 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169122 472333521 /nfs/dbraw/zinc/33/35/21/472333521.db2.gz RSOVBGSKDOQKBF-HOCLYGCPSA-N 2 0 338.455 2.078 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000674056915 485627586 /nfs/dbraw/zinc/62/75/86/485627586.db2.gz GDYYISHATKFZIU-AWEZNQCLSA-N 2 0 328.420 2.073 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000629545020 485732213 /nfs/dbraw/zinc/73/22/13/485732213.db2.gz PCUOSXOERLDRDQ-YRBFXIGRSA-N 2 0 341.455 2.324 10 0 EEAERP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000187141856 533786446 /nfs/dbraw/zinc/78/64/46/533786446.db2.gz NHPAMXODRXLIHR-DOTOQJQBSA-N 2 0 338.467 2.449 10 0 EEAERP CC(C)(CC[NH3+])NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000422621429 535023984 /nfs/dbraw/zinc/02/39/84/535023984.db2.gz QDDJEVWETQQOBG-LJQANCHMSA-N 2 0 332.492 2.468 10 0 EEAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246752220 535945113 /nfs/dbraw/zinc/94/51/13/535945113.db2.gz AFFKHBBILSSBHZ-DOTOQJQBSA-N 2 0 326.868 2.101 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422845827 536597018 /nfs/dbraw/zinc/59/70/18/536597018.db2.gz OUYXOPRTZZADCO-GOSISDBHSA-N 2 0 342.443 2.177 10 0 EEAERP O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000751103078 577748139 /nfs/dbraw/zinc/74/81/39/577748139.db2.gz MDDGLKSEQBINAW-ACBHZAAOSA-N 2 0 346.519 2.439 10 0 EEAERP Cc1cc(Br)cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000774993978 578265984 /nfs/dbraw/zinc/26/59/84/578265984.db2.gz UFYNHEUKQXABEC-CQSZACIVSA-N 2 0 340.309 2.483 10 0 EEAERP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000894597553 682990382 /nfs/dbraw/zinc/99/03/82/682990382.db2.gz MSWBSKDGJZJROB-JYJNAYRXSA-N 2 0 338.398 2.152 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCS1 ZINC000927254816 693968141 /nfs/dbraw/zinc/96/81/41/693968141.db2.gz BNHLOBYBBWKXMN-CVEARBPZSA-N 2 0 344.569 2.186 10 0 EEAERP C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897337950 687144052 /nfs/dbraw/zinc/14/40/52/687144052.db2.gz HZVSYMJGKNCGKF-DSKINZAPSA-N 2 0 341.499 2.499 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC000897437187 690469450 /nfs/dbraw/zinc/46/94/50/690469450.db2.gz ICDWDQZKQSKPCG-FPOVZHCZSA-N 2 0 341.499 2.499 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897574293 691634737 /nfs/dbraw/zinc/63/47/37/691634737.db2.gz BMMXDRVAGRINDA-QRVBRYPASA-N 2 0 344.503 2.067 10 0 EEAERP COc1cc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)ccc1OCC[NH+](C)C ZINC000897991045 691847891 /nfs/dbraw/zinc/84/78/91/691847891.db2.gz ATCJAKBHGVGGPM-IBGZPJMESA-N 2 0 347.459 2.060 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n(C)n1 ZINC000924630182 692922362 /nfs/dbraw/zinc/92/23/62/692922362.db2.gz YXWBVEXVKZCMLQ-HKUYNNGSSA-N 2 0 347.551 2.055 10 0 EEAERP C[NH+]1CCC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)(c2ccccc2)CC1 ZINC000899159390 693631650 /nfs/dbraw/zinc/63/16/50/693631650.db2.gz DSUPFNGLMCFROI-NRFANRHFSA-N 2 0 341.499 2.252 10 0 EEAERP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899234771 693673760 /nfs/dbraw/zinc/67/37/60/693673760.db2.gz QQBUWQFAYCCEMO-IBGZPJMESA-N 2 0 343.471 2.332 10 0 EEAERP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1 ZINC001485610366 1191861454 /nfs/dbraw/zinc/86/14/54/1191861454.db2.gz BFKGIQHFDFDNRW-LDLYASANSA-N 2 0 341.499 2.131 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1[C@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]12 ZINC001485624042 1191866801 /nfs/dbraw/zinc/86/68/01/1191866801.db2.gz UYLCMTKPOAJYJQ-VAHSIYPMSA-N 2 0 341.499 2.336 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001485702392 1191905550 /nfs/dbraw/zinc/90/55/50/1191905550.db2.gz RGHPLKHMVFBGCT-VYLAHINDSA-N 2 0 334.291 2.132 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)co1 ZINC001485723035 1191909822 /nfs/dbraw/zinc/90/98/22/1191909822.db2.gz VQPUREABDIGIIK-YOEHRIQHSA-N 2 0 336.480 2.230 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cc(C)on1 ZINC001485752241 1191932674 /nfs/dbraw/zinc/93/26/74/1191932674.db2.gz UZDZONXYJSQNBP-RHSMWYFYSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ccccc1[C@H](C)[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001485770857 1191943859 /nfs/dbraw/zinc/94/38/59/1191943859.db2.gz SYFYCSPPFMDBCE-PKOBYXMFSA-N 2 0 347.503 2.215 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(Cl)n1 ZINC001266577440 1176878251 /nfs/dbraw/zinc/87/82/51/1176878251.db2.gz KUOUWBIPOLYTIR-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701713 1177226891 /nfs/dbraw/zinc/22/68/91/1177226891.db2.gz BUYJPSOCVLHUHP-HXUWFJFHSA-N 2 0 341.499 2.454 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001266787622 1177429250 /nfs/dbraw/zinc/42/92/50/1177429250.db2.gz LGBDDXWGCOFSAS-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC[C@H]2CCCCO2)C1 ZINC001480904626 1177882532 /nfs/dbraw/zinc/88/25/32/1177882532.db2.gz JLMCSNYDPMUTRX-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691321655 1177908404 /nfs/dbraw/zinc/90/84/04/1177908404.db2.gz GMUKICFZGFKTIC-SFHVURJKSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cn1 ZINC001267067112 1178182167 /nfs/dbraw/zinc/18/21/67/1178182167.db2.gz NILSQTKZBBHOOR-IRXDYDNUSA-N 2 0 347.507 2.016 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001267123685 1178291612 /nfs/dbraw/zinc/29/16/12/1178291612.db2.gz WLCNWUFDRCOVAW-MAUKXSAKSA-N 2 0 335.467 2.337 10 0 EEAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnc(C)o1)[NH+](C)C ZINC001267169226 1178389888 /nfs/dbraw/zinc/38/98/88/1178389888.db2.gz LMRYQEKYIJXAQY-DOTOQJQBSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1nc(C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C(C)C)c(C)o1 ZINC001267239858 1178584055 /nfs/dbraw/zinc/58/40/55/1178584055.db2.gz SBHAFRRZBSCGQK-QGZVFWFLSA-N 2 0 336.480 2.102 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1F)[NH+](C)C ZINC001267390117 1178955270 /nfs/dbraw/zinc/95/52/70/1178955270.db2.gz KKKVXJBENSOGRC-OAHLLOKOSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109002 1179758660 /nfs/dbraw/zinc/75/86/60/1179758660.db2.gz JHWJCZPVPSCBSM-KGLIPLIRSA-N 2 0 339.430 2.416 10 0 EEAERP O=C(NCC[N@H+](CC[C@H]1CCCO1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001481174693 1179989804 /nfs/dbraw/zinc/98/98/04/1179989804.db2.gz TWTZJKSXHGZFSO-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001267989507 1180927974 /nfs/dbraw/zinc/92/79/74/1180927974.db2.gz CDFXFRDFGQQTGG-LPHOPBHVSA-N 2 0 347.503 2.064 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)CCO1)C1CCC1 ZINC001268025555 1181057617 /nfs/dbraw/zinc/05/76/17/1181057617.db2.gz QSLLFICAAUEUBG-LJQANCHMSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481434527 1181330429 /nfs/dbraw/zinc/33/04/29/1181330429.db2.gz AUKLGEGXJKMWSA-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CCOCC[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001481515845 1181620460 /nfs/dbraw/zinc/62/04/60/1181620460.db2.gz FLZOOIPUDQLJEL-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001268185935 1181970626 /nfs/dbraw/zinc/97/06/26/1181970626.db2.gz JMLVZSGPNCFEPC-RDTXWAMCSA-N 2 0 344.459 2.119 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001268229386 1182044002 /nfs/dbraw/zinc/04/40/02/1182044002.db2.gz ZOIGPXHDZYRFDW-HNNXBMFYSA-N 2 0 340.899 2.306 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268365183 1182337826 /nfs/dbraw/zinc/33/78/26/1182337826.db2.gz COFOACFIMWBHBM-LZLYRXPVSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC001268375645 1182391705 /nfs/dbraw/zinc/39/17/05/1182391705.db2.gz VXXOCPMZYLBTNQ-XJKSGUPXSA-N 2 0 336.480 2.150 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001481738787 1182456416 /nfs/dbraw/zinc/45/64/16/1182456416.db2.gz PNQXYFSTCGAHBM-QGZVFWFLSA-N 2 0 333.520 2.441 10 0 EEAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001481753949 1182555328 /nfs/dbraw/zinc/55/53/28/1182555328.db2.gz FJWYCGJPMATSKF-LJQANCHMSA-N 2 0 344.503 2.380 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451965 1182649135 /nfs/dbraw/zinc/64/91/35/1182649135.db2.gz SMMZKJWTRITPIK-QLFBSQMISA-N 2 0 331.451 2.200 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC001481814227 1182730412 /nfs/dbraw/zinc/73/04/12/1182730412.db2.gz RQZWZJSRHYNSMF-RYQLBKOJSA-N 2 0 349.523 2.179 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268458719 1182739896 /nfs/dbraw/zinc/73/98/96/1182739896.db2.gz QPXJOFWECMEKPK-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cnc(C)o1 ZINC001481827019 1182755493 /nfs/dbraw/zinc/75/54/93/1182755493.db2.gz AUDDTCOKNKFKJG-NVXWUHKLSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCC2)CC[N@@H+]1C ZINC001481896877 1182906499 /nfs/dbraw/zinc/90/64/99/1182906499.db2.gz FXQDMHQNYLBTCF-RHSMWYFYSA-N 2 0 348.466 2.080 10 0 EEAERP C[N@H+](CC(=O)NC1(C[NH2+]Cc2cncc(F)c2)CCCC1)C1CCC1 ZINC001481897783 1182909319 /nfs/dbraw/zinc/90/93/19/1182909319.db2.gz LGLKNQFFGYJVTO-UHFFFAOYSA-N 2 0 348.466 2.224 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001481963356 1183036858 /nfs/dbraw/zinc/03/68/58/1183036858.db2.gz VRNUDIVONSRDND-RDTXWAMCSA-N 2 0 336.480 2.089 10 0 EEAERP CCOCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481981230 1183076040 /nfs/dbraw/zinc/07/60/40/1183076040.db2.gz MCLMYTWVSKFSSC-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2nocc2C)C1 ZINC001481987943 1183091697 /nfs/dbraw/zinc/09/16/97/1183091697.db2.gz NVPOSAGSMIYUSI-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482163835 1183482797 /nfs/dbraw/zinc/48/27/97/1183482797.db2.gz PMHJLKJHAHWGNV-QRWLVFNGSA-N 2 0 347.478 2.462 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482173191 1183499971 /nfs/dbraw/zinc/49/99/71/1183499971.db2.gz HFEKRGZVZJYFES-LPHOPBHVSA-N 2 0 346.519 2.352 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1 ZINC001268651958 1183581134 /nfs/dbraw/zinc/58/11/34/1183581134.db2.gz TWYILBQYERMVIX-IEBWSBKVSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268658442 1183586970 /nfs/dbraw/zinc/58/69/70/1183586970.db2.gz VUKSDVRUZZHUKM-ILXRZTDVSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268836847 1183751010 /nfs/dbraw/zinc/75/10/10/1183751010.db2.gz WNEYWLPRDXBKTF-UHFFFAOYSA-N 2 0 349.523 2.052 10 0 EEAERP CC(C)(C)CC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001482206223 1183979636 /nfs/dbraw/zinc/97/96/36/1183979636.db2.gz CPALZHVMKPOUKS-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001482228528 1184348210 /nfs/dbraw/zinc/34/82/10/1184348210.db2.gz JEEMSPVITDPTAC-HRCADAONSA-N 2 0 327.488 2.483 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2C)C1)[NH+](C)C ZINC001269766985 1184604360 /nfs/dbraw/zinc/60/43/60/1184604360.db2.gz ZCTDEBXOOJDGQB-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001269798774 1184627453 /nfs/dbraw/zinc/62/74/53/1184627453.db2.gz OBMFCMDMTOSFRC-DLBZAZTESA-N 2 0 349.544 2.461 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1)[NH+](C)C ZINC001269878059 1184688961 /nfs/dbraw/zinc/68/89/61/1184688961.db2.gz ZVKOMAALEJHIJB-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482284622 1185065187 /nfs/dbraw/zinc/06/51/87/1185065187.db2.gz PDIOMKVTNBGTBP-YJBOKZPZSA-N 2 0 332.492 2.199 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001270600048 1185194302 /nfs/dbraw/zinc/19/43/02/1185194302.db2.gz SGNXBENLAAUZFR-MJGOQNOKSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001270600047 1185194435 /nfs/dbraw/zinc/19/44/35/1185194435.db2.gz SGNXBENLAAUZFR-IEBWSBKVSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482354907 1185493730 /nfs/dbraw/zinc/49/37/30/1185493730.db2.gz BAKYFKKFGOBPGW-HNNXBMFYSA-N 2 0 330.476 2.446 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365775 1185523072 /nfs/dbraw/zinc/52/30/72/1185523072.db2.gz YAMQLGNDOWJQAJ-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](CC(C)C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001482396867 1185611058 /nfs/dbraw/zinc/61/10/58/1185611058.db2.gz PVMVPDLRLPVLLQ-MRXNPFEDSA-N 2 0 348.491 2.008 10 0 EEAERP O=C(Cn1ccnc1)N[C@H](CNCc1cscn1)C1CCCCC1 ZINC001482412029 1185643111 /nfs/dbraw/zinc/64/31/11/1185643111.db2.gz JNXUXHOPDHPHRT-MRXNPFEDSA-N 2 0 347.488 2.195 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001482421054 1185665564 /nfs/dbraw/zinc/66/55/64/1185665564.db2.gz HCVSTJOEVZTBKQ-SJORKVTESA-N 2 0 349.523 2.075 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1[NH2+]CCCF ZINC001482435523 1185710404 /nfs/dbraw/zinc/71/04/04/1185710404.db2.gz RCWMAJXHCQKCJV-MAUKXSAKSA-N 2 0 339.499 2.295 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)co1 ZINC001482462621 1185933120 /nfs/dbraw/zinc/93/31/20/1185933120.db2.gz VHMHBPKTWKXXIG-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CCCCC[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001271201963 1186078455 /nfs/dbraw/zinc/07/84/55/1186078455.db2.gz YGCLNPKDWIZWFM-HXUWFJFHSA-N 2 0 347.503 2.105 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[NH2+]CCO)C2CCCCC2)c1 ZINC001271353756 1186156329 /nfs/dbraw/zinc/15/63/29/1186156329.db2.gz JFYZRHTZHZNLIU-LJQANCHMSA-N 2 0 347.503 2.009 10 0 EEAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCCCF ZINC001482501697 1186412589 /nfs/dbraw/zinc/41/25/89/1186412589.db2.gz SDJQMJNMKSWVTO-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nocc1C[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001482507854 1186423535 /nfs/dbraw/zinc/42/35/35/1186423535.db2.gz IDJPREXCUNXSOB-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C[N@H+](C)C2CCC2)C(C)C)sn1 ZINC001482531465 1186526382 /nfs/dbraw/zinc/52/63/82/1186526382.db2.gz AHQCJIONXCFSMF-INIZCTEOSA-N 2 0 338.521 2.166 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482598534 1187323640 /nfs/dbraw/zinc/32/36/40/1187323640.db2.gz IPSKWXYUCZLKFN-VQTJNVASSA-N 2 0 341.499 2.406 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482699991 1187677913 /nfs/dbraw/zinc/67/79/13/1187677913.db2.gz XZRLKRFAONPFPW-QZTJIDSGSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482815782 1187748283 /nfs/dbraw/zinc/74/82/83/1187748283.db2.gz AMRTXQJKBIJYKR-PBHICJAKSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001482844098 1187763000 /nfs/dbraw/zinc/76/30/00/1187763000.db2.gz VYIHXOOSIKBQHQ-KRWDZBQOSA-N 2 0 344.503 2.250 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482933158 1187852580 /nfs/dbraw/zinc/85/25/80/1187852580.db2.gz AQBHXUGLBUEIJT-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001670937035 1193529604 /nfs/dbraw/zinc/52/96/04/1193529604.db2.gz DRSQFJLJMIZWRQ-HQSKLWIPSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001483087925 1188450518 /nfs/dbraw/zinc/45/05/18/1188450518.db2.gz SKOITSVBCBSIHL-XITLMJRVSA-N 2 0 338.521 2.108 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483152843 1188904108 /nfs/dbraw/zinc/90/41/08/1188904108.db2.gz DDOBTUHNMFXVAK-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)co1 ZINC001272883036 1193591614 /nfs/dbraw/zinc/59/16/14/1193591614.db2.gz XRYRCDYQGBCHJU-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001483172267 1189023591 /nfs/dbraw/zinc/02/35/91/1189023591.db2.gz LJLOTWDAVUCGNY-HIFRSBDPSA-N 2 0 331.451 2.389 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001483172214 1189023827 /nfs/dbraw/zinc/02/38/27/1189023827.db2.gz JYQHFNKOYOPLPW-QAPCUYQASA-N 2 0 339.524 2.018 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)s1 ZINC001483226692 1189476871 /nfs/dbraw/zinc/47/68/71/1189476871.db2.gz FOQLQTPKWQNACN-LRDDRELGSA-N 2 0 338.521 2.227 10 0 EEAERP CCc1cnc(CN[C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001485884193 1193629290 /nfs/dbraw/zinc/62/92/90/1193629290.db2.gz BDLFYSYDOXRDKX-CABCVRRESA-N 2 0 336.480 2.048 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001409423991 1189655920 /nfs/dbraw/zinc/65/59/20/1189655920.db2.gz ZRQVOVGYLGOXCI-GJZGRUSLSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nc(C[NH2+]C2CCC(N(C)C(=O)C[N@H+](C)C3CCC3)CC2)co1 ZINC001409442234 1189689135 /nfs/dbraw/zinc/68/91/35/1189689135.db2.gz LLCJPWRSPISKEY-UHFFFAOYSA-N 2 0 348.491 2.327 10 0 EEAERP Cc1nccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001409483163 1189845317 /nfs/dbraw/zinc/84/53/17/1189845317.db2.gz YZJNGCFXBJMXKM-CVEARBPZSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001485944306 1193654040 /nfs/dbraw/zinc/65/40/40/1193654040.db2.gz MDGVZSCYQLATFL-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H](C[N@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001483407556 1190453773 /nfs/dbraw/zinc/45/37/73/1190453773.db2.gz MNCSVNWXNPCFFM-OLZOCXBDSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001483495987 1190512679 /nfs/dbraw/zinc/51/26/79/1190512679.db2.gz PVMMSGPFBZHHAR-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001483509371 1190523870 /nfs/dbraw/zinc/52/38/70/1190523870.db2.gz JWRSVNOLKCCAOB-ZFWWWQNUSA-N 2 0 339.430 2.416 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1C ZINC001483601827 1190582747 /nfs/dbraw/zinc/58/27/47/1190582747.db2.gz QQYCLRURVHLJFF-IBGZPJMESA-N 2 0 341.499 2.384 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272564176 1190879527 /nfs/dbraw/zinc/87/95/27/1190879527.db2.gz FWMWQJAWNOBITK-JKSUJKDBSA-N 2 0 335.517 2.418 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272616598 1190932046 /nfs/dbraw/zinc/93/20/46/1190932046.db2.gz NVZFAEJMEOHYBU-IAGOWNOFSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ccncc1C[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001409901145 1190966772 /nfs/dbraw/zinc/96/67/72/1190966772.db2.gz DWGCMJFMPVTGEP-VQIMIIECSA-N 2 0 344.503 2.201 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483784835 1191026783 /nfs/dbraw/zinc/02/67/83/1191026783.db2.gz VDBBYFRFLPAFMU-OAHLLOKOSA-N 2 0 333.451 2.214 10 0 EEAERP CCc1noc(C)c1C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001483794988 1191034274 /nfs/dbraw/zinc/03/42/74/1191034274.db2.gz ZLVPKPDFSGOFQJ-KBPBESRZSA-N 2 0 348.491 2.157 10 0 EEAERP O=C(NCC1([NH2+][C@H]2CCc3ccccc32)CC1)C12CC[NH+](CC1)C2 ZINC001483783030 1191036084 /nfs/dbraw/zinc/03/60/84/1191036084.db2.gz IQTLCLCMLJWDBE-KRWDZBQOSA-N 2 0 325.456 2.008 10 0 EEAERP CC[C@@H](C(=O)N1CCC([N@H+](CCOC)CC2CCC2)CC1)[NH+](C)C ZINC001483820290 1191049185 /nfs/dbraw/zinc/04/91/85/1191049185.db2.gz YSOOTYUEPJTHSJ-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@]3(CCN(C(=O)C[N@@H+](C)C(C)C)C3)C2)on1 ZINC001483832609 1191069172 /nfs/dbraw/zinc/06/91/72/1191069172.db2.gz KZXRZSFJGMCUTL-LJQANCHMSA-N 2 0 348.491 2.138 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C[C@@H]1C ZINC001483915582 1191115134 /nfs/dbraw/zinc/11/51/34/1191115134.db2.gz YCUFYLONBSEKLZ-HOCLYGCPSA-N 2 0 348.491 2.361 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001483951303 1191129402 /nfs/dbraw/zinc/12/94/02/1191129402.db2.gz AMRREOWXPOXZQJ-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001484012822 1191155672 /nfs/dbraw/zinc/15/56/72/1191155672.db2.gz VXXPLGPOPXZVIQ-IBGZPJMESA-N 2 0 344.503 2.250 10 0 EEAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](C/C=C\Cl)C1 ZINC001484175379 1191260809 /nfs/dbraw/zinc/26/08/09/1191260809.db2.gz WFFXKUYTGUKREK-QTONRWBISA-N 2 0 325.884 2.053 10 0 EEAERP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484351980 1191314487 /nfs/dbraw/zinc/31/44/87/1191314487.db2.gz HLFKJMZDTFPIRS-CVEARBPZSA-N 2 0 347.528 2.213 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@H]1CCN(C(=O)c2cccc3nccn32)C1)OC ZINC001484530010 1191400090 /nfs/dbraw/zinc/40/00/90/1191400090.db2.gz OXOKHBBUCYBRSC-HOTGVXAUSA-N 2 0 344.459 2.201 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001484619469 1191444387 /nfs/dbraw/zinc/44/43/87/1191444387.db2.gz ZXKPNJRAIAGOKL-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCC1([NH2+]Cc2cnc(C)o2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484813775 1191534059 /nfs/dbraw/zinc/53/40/59/1191534059.db2.gz XIXJCHOCTANTLN-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001484819365 1191539515 /nfs/dbraw/zinc/53/95/15/1191539515.db2.gz NDHKVPLEJWYIQZ-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CCC2CCCC2)CCOCC1)[NH+](C)C ZINC001484868567 1191561322 /nfs/dbraw/zinc/56/13/22/1191561322.db2.gz QZZZCSUFODSCLI-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001484902210 1191565791 /nfs/dbraw/zinc/56/57/91/1191565791.db2.gz QLOJBBMJYDBCIQ-APWZRJJASA-N 2 0 346.519 2.031 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001484943691 1191587913 /nfs/dbraw/zinc/58/79/13/1191587913.db2.gz RVDLJOXLFCTJEQ-GOSISDBHSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCc2ccccc2)C1 ZINC001485069268 1191636811 /nfs/dbraw/zinc/63/68/11/1191636811.db2.gz LJVIILOMURGWGF-ICSRJNTNSA-N 2 0 343.515 2.494 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nc(C)sc1C ZINC001485217139 1191689297 /nfs/dbraw/zinc/68/92/97/1191689297.db2.gz QXHDJOUDFBYNOI-NWDGAFQWSA-N 2 0 326.510 2.085 10 0 EEAERP COc1cccc(CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001485383957 1191768797 /nfs/dbraw/zinc/76/87/97/1191768797.db2.gz QGIJPPIGLOQUEI-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC001485384732 1191769137 /nfs/dbraw/zinc/76/91/37/1191769137.db2.gz XUGFSDMFTWGGQY-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cnccc1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470810 1191801599 /nfs/dbraw/zinc/80/15/99/1191801599.db2.gz RVJBLMJOQALSIP-SFHVURJKSA-N 2 0 344.503 2.250 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC001485476960 1191804542 /nfs/dbraw/zinc/80/45/42/1191804542.db2.gz PAOBFCMBCPZNOE-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001486214142 1193753626 /nfs/dbraw/zinc/75/36/26/1193753626.db2.gz GDGUIHTVUOIVMC-BGZICUSFSA-N 2 0 327.900 2.345 10 0 EEAERP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001486244490 1193770702 /nfs/dbraw/zinc/77/07/02/1193770702.db2.gz OSJCRBIKFWBCKG-CRAIPNDOSA-N 2 0 347.503 2.223 10 0 EEAERP CC(C)N(CC[N@H+](C)CCOc1ccccc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001486380190 1193891477 /nfs/dbraw/zinc/89/14/77/1193891477.db2.gz YVWUBYRNTSAHAD-GOSISDBHSA-N 2 0 347.503 2.186 10 0 EEAERP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486482970 1193997312 /nfs/dbraw/zinc/99/73/12/1193997312.db2.gz AKPJVLZXNQEPQX-ABHNRTSZSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)C[NH+]1CCCC1 ZINC001273184546 1197413308 /nfs/dbraw/zinc/41/33/08/1197413308.db2.gz RVNFQNCNWQTVIU-CQSZACIVSA-N 2 0 346.500 2.377 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCc2cccs2)CC1(C)C ZINC001410041014 1197514935 /nfs/dbraw/zinc/51/49/35/1197514935.db2.gz UVHYNKLAPZWSFM-MRXNPFEDSA-N 2 0 337.533 2.459 10 0 EEAERP COc1cccc(C[NH2+][C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)c1 ZINC001410282392 1197658706 /nfs/dbraw/zinc/65/87/06/1197658706.db2.gz OZAWDVJGERDNEW-PKOBYXMFSA-N 2 0 347.503 2.267 10 0 EEAERP C[N@H+](CCON=C(N)C1C[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000871784358 1197900821 /nfs/dbraw/zinc/90/08/21/1197900821.db2.gz BPFLZDNQHXULAQ-AYHJJNSGSA-N 3 0 330.476 2.490 10 0 EEAERP CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872034742 1198031767 /nfs/dbraw/zinc/03/17/67/1198031767.db2.gz IRWRQPRXALOCNH-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](O)c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000865487941 1198243865 /nfs/dbraw/zinc/24/38/65/1198243865.db2.gz WGVYHHCKUHMDFR-MRXNPFEDSA-N 2 0 341.459 2.154 10 0 EEAERP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001411236451 1198948357 /nfs/dbraw/zinc/94/83/57/1198948357.db2.gz LMTQUCDJMKIXSH-UHFFFAOYSA-N 2 0 348.491 2.109 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CCCCCC2)C[C@H]1C[NH+](C)C ZINC000875640183 1199328041 /nfs/dbraw/zinc/32/80/41/1199328041.db2.gz NIHJLQJLPGBINS-QZTJIDSGSA-N 2 0 338.540 2.338 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000810351967 1199465277 /nfs/dbraw/zinc/46/52/77/1199465277.db2.gz CEWGJQHRCFEUIE-MAUKXSAKSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc(F)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(F)c1 ZINC000870017328 1200409560 /nfs/dbraw/zinc/40/95/60/1200409560.db2.gz KFKCSIOYTOFLHW-ZIAGYGMSSA-N 2 0 339.430 2.085 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)Cc1ccccc1 ZINC000870863857 1200918668 /nfs/dbraw/zinc/91/86/68/1200918668.db2.gz FSYIABIZBQWEDE-RMJJICAUSA-N 2 0 329.488 2.183 10 0 EEAERP COCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000866672724 1201576502 /nfs/dbraw/zinc/57/65/02/1201576502.db2.gz MKZNCCJXUAQJFU-IBGZPJMESA-N 3 0 349.519 2.028 10 0 EEAERP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1 ZINC000868301152 1201787078 /nfs/dbraw/zinc/78/70/78/1201787078.db2.gz WIULLDUMESVZRD-ISWZSGDOSA-N 2 0 346.475 2.024 10 0 EEAERP CN1Cc2ccccc2[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000868677613 1201857743 /nfs/dbraw/zinc/85/77/43/1201857743.db2.gz QIEGDIFOBMRUIQ-YCXXCVGLSA-N 2 0 328.460 2.098 10 0 EEAERP CN1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000868757800 1201872987 /nfs/dbraw/zinc/87/29/87/1201872987.db2.gz DPQWDNUGEWXPMN-NVXWUHKLSA-N 2 0 330.476 2.345 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCOCC2)C1 ZINC001274005797 1204307688 /nfs/dbraw/zinc/30/76/88/1204307688.db2.gz AWPQCBFOCCKSGI-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@H+](C)CCC(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001274489871 1205055958 /nfs/dbraw/zinc/05/59/58/1205055958.db2.gz NGHNIHRVXVNYDL-SHCNBLLESA-N 2 0 333.451 2.417 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1)[NH+](C)C ZINC001274506426 1205060492 /nfs/dbraw/zinc/06/04/92/1205060492.db2.gz AQGMFHXIYYMTOB-YVACAVLKSA-N 2 0 331.451 2.414 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275179681 1205275860 /nfs/dbraw/zinc/27/58/60/1205275860.db2.gz LCZPACBIURMWBS-KRWDZBQOSA-N 2 0 347.503 2.261 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001275592964 1205435967 /nfs/dbraw/zinc/43/59/67/1205435967.db2.gz VUOCLHDGEZJMGR-CQSZACIVSA-N 2 0 332.448 2.119 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC3(OC)OC)cc2)CC1 ZINC000924692794 1206019298 /nfs/dbraw/zinc/01/92/98/1206019298.db2.gz RCDKUVBDXKPYAO-LJQANCHMSA-N 2 0 347.503 2.065 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)N2CCOCC2)o1 ZINC000925522549 1206122883 /nfs/dbraw/zinc/12/28/83/1206122883.db2.gz HCYGEFXQPXKMJD-BBWFWOEESA-N 2 0 335.492 2.457 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925638717 1206138510 /nfs/dbraw/zinc/13/85/10/1206138510.db2.gz FEBLFADBEDZJRF-CABCVRRESA-N 2 0 336.455 2.053 10 0 EEAERP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852997 1206161057 /nfs/dbraw/zinc/16/10/57/1206161057.db2.gz JDLYNXGGGQDSIX-GJZGRUSLSA-N 2 0 332.444 2.340 10 0 EEAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925903450 1206165748 /nfs/dbraw/zinc/16/57/48/1206165748.db2.gz GBNRXFDUGMBZJY-QZTJIDSGSA-N 2 0 347.507 2.246 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(N[C@@H]3C[N@@H+]4C[C@@H]3CCC4)nc2)CC1 ZINC000925905705 1206166115 /nfs/dbraw/zinc/16/61/15/1206166115.db2.gz IUQGARUHGWNWDP-MAUKXSAKSA-N 2 0 329.492 2.118 10 0 EEAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925916875 1206168014 /nfs/dbraw/zinc/16/80/14/1206168014.db2.gz RURCXFAJJRFTFN-KRWDZBQOSA-N 2 0 349.523 2.494 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[C@@H]1C[NH3+] ZINC000925951205 1206173824 /nfs/dbraw/zinc/17/38/24/1206173824.db2.gz DLXHVDYKGKTZLF-HUUCEWRRSA-N 2 0 334.464 2.076 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000926373013 1206216585 /nfs/dbraw/zinc/21/65/85/1206216585.db2.gz UWAHCGXALIQMOW-GSTYJUAJSA-N 2 0 341.499 2.150 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000929486262 1206480072 /nfs/dbraw/zinc/48/00/72/1206480072.db2.gz TUZFWLMTFZCPBS-FQEVSTJZSA-N 2 0 346.515 2.496 10 0 EEAERP CC[N@H+](CCC1CCN(CC(=O)Nc2cccnn2)CC1)CC(C)C ZINC000930179211 1206539517 /nfs/dbraw/zinc/53/95/17/1206539517.db2.gz IETCKUNFAZFKOG-UHFFFAOYSA-N 2 0 347.507 2.495 10 0 EEAERP Cc1cc(NC(=O)NCC2([NH+](C)C)CCC2)n(C2CC[NH+](C)CC2)n1 ZINC000930282970 1206546432 /nfs/dbraw/zinc/54/64/32/1206546432.db2.gz BEQHWGJADYNGOY-UHFFFAOYSA-N 2 0 348.495 2.064 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N)nc3)C2)ccn1 ZINC000931092617 1206606096 /nfs/dbraw/zinc/60/60/96/1206606096.db2.gz FPUWFAUVQBBZTD-SFHVURJKSA-N 2 0 341.459 2.164 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000718019945 1211702891 /nfs/dbraw/zinc/70/28/91/1211702891.db2.gz MDSXCTWKMPNTJI-AZUAARDMSA-N 3 0 345.531 2.476 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276333776 1215754499 /nfs/dbraw/zinc/75/44/99/1215754499.db2.gz WEVAUWGYSQRIKI-KRWDZBQOSA-N 2 0 342.487 2.448 10 0 EEAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1COc2ccccc2C1 ZINC000902745815 1238381324 /nfs/dbraw/zinc/38/13/24/1238381324.db2.gz WKNZLQUQMLFWNR-IEBWSBKVSA-N 2 0 331.504 2.243 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000902789386 1238534959 /nfs/dbraw/zinc/53/49/59/1238534959.db2.gz GPHXOEREHXRORZ-YZGWKJHDSA-N 2 0 337.552 2.445 10 0 EEAERP C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903217468 1240030446 /nfs/dbraw/zinc/03/04/46/1240030446.db2.gz AYPMSBYHIQTBTG-HOTGVXAUSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@H]1CCCC[C@@H]1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511238 1240743248 /nfs/dbraw/zinc/74/32/48/1240743248.db2.gz YNITUTVGJCAPDT-FFGOWVMKSA-N 2 0 335.536 2.482 10 0 EEAERP c1ccc2c(c1)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C[C@@H]1CCCN21 ZINC000903784475 1241953218 /nfs/dbraw/zinc/95/32/18/1241953218.db2.gz PWBYGRPSJXXGHO-NSHGMRRFSA-N 2 0 327.472 2.240 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOc2ccccc2C)cnn1C ZINC000903876129 1242275977 /nfs/dbraw/zinc/27/59/77/1242275977.db2.gz DEPDLQKONJAVBQ-QGZVFWFLSA-N 2 0 330.476 2.165 10 0 EEAERP COc1ccc(CCC[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903884858 1242314647 /nfs/dbraw/zinc/31/46/47/1242314647.db2.gz BFCRIQPZHCCXOR-QGZVFWFLSA-N 2 0 343.475 2.276 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](Cc2cccc(O)c2)CC2CC2)cnn1C ZINC000903889089 1242342499 /nfs/dbraw/zinc/34/24/99/1242342499.db2.gz OIERBVHRKHNPDL-SFHVURJKSA-N 2 0 342.487 2.464 10 0 EEAERP Clc1cccc(OCC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903922744 1242514607 /nfs/dbraw/zinc/51/46/07/1242514607.db2.gz DIESJXODDZCDQD-CQSZACIVSA-N 2 0 335.839 2.025 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H](c2cccnc2)C(C)C)cnn1C ZINC000903922742 1242515630 /nfs/dbraw/zinc/51/56/30/1242515630.db2.gz DDULNCGVAJJUPX-VQIMIIECSA-N 2 0 329.492 2.270 10 0 EEAERP CCOc1ccc(C[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903923408 1242516044 /nfs/dbraw/zinc/51/60/44/1242516044.db2.gz SVYMQNXXXWYRAD-INIZCTEOSA-N 2 0 346.475 2.043 10 0 EEAERP O=C1CCCN1Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903924866 1242518643 /nfs/dbraw/zinc/51/86/43/1242518643.db2.gz IXIJGGXSBDXINS-YQQQUEKLSA-N 2 0 327.472 2.429 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@@H]3CCCCO3)CC2)cnn1C ZINC000903932968 1242556042 /nfs/dbraw/zinc/55/60/42/1242556042.db2.gz IQSGSBRUJZXTSB-APWZRJJASA-N 2 0 334.508 2.127 10 0 EEAERP COC(=O)c1cnc(CC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)s1 ZINC000903939997 1242604237 /nfs/dbraw/zinc/60/42/37/1242604237.db2.gz SOCUXVQKILHSEV-QGZVFWFLSA-N 2 0 337.489 2.184 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474395 1248159495 /nfs/dbraw/zinc/15/94/95/1248159495.db2.gz YFKUHIRUNCKIDO-ZFWWWQNUSA-N 2 0 338.883 2.424 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001491170233 1258738248 /nfs/dbraw/zinc/73/82/48/1258738248.db2.gz UJRWUNBIUFRBQP-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491270463 1258863407 /nfs/dbraw/zinc/86/34/07/1258863407.db2.gz CCUQNFXHHXIHLN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851674842 1277713594 /nfs/dbraw/zinc/71/35/94/1277713594.db2.gz KCOLMZPDPYJEND-APWZRJJASA-N 2 0 334.508 2.179 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)C[NH+]1CCCC1 ZINC001273753876 1284844427 /nfs/dbraw/zinc/84/44/27/1284844427.db2.gz ZYFNQKFSXOQRGA-UHFFFAOYSA-N 2 0 329.897 2.435 10 0 EEAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001273757024 1284924040 /nfs/dbraw/zinc/92/40/40/1284924040.db2.gz MXKZHBYTBKMSGV-MRXNPFEDSA-N 2 0 325.472 2.049 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001273909401 1289775326 /nfs/dbraw/zinc/77/53/26/1289775326.db2.gz FAJQSVPYPCUNPY-VDJRXERYSA-N 2 0 349.425 2.308 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCCCF ZINC001489132602 1290392148 /nfs/dbraw/zinc/39/21/48/1290392148.db2.gz KRIIHLINZZVQFZ-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001489230505 1290480421 /nfs/dbraw/zinc/48/04/21/1290480421.db2.gz CLLXRZVIHAROAF-WNANUZHBSA-N 2 0 327.900 2.440 10 0 EEAERP CCOC1CC(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001489238622 1290487247 /nfs/dbraw/zinc/48/72/47/1290487247.db2.gz OEBPJZBSRPWGNB-ADKAHSJRSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(F)ccc1C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001490251055 1291070331 /nfs/dbraw/zinc/07/03/31/1291070331.db2.gz VHVZLLLQEOYHOL-OAHLLOKOSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1cncc(C[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001490371851 1291256232 /nfs/dbraw/zinc/25/62/32/1291256232.db2.gz BZRDQZUVKYVPPR-VQIMIIECSA-N 2 0 344.503 2.201 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760528 1292189440 /nfs/dbraw/zinc/18/94/40/1292189440.db2.gz HMMDSLYCOLUOFK-YOEHRIQHSA-N 2 0 328.403 2.041 10 0 EEAERP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000858166760 1294030254 /nfs/dbraw/zinc/03/02/54/1294030254.db2.gz ZVDJCGTWRILJAX-LJQANCHMSA-N 2 0 341.499 2.499 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2ncccc2C)CC[N@@H+]1C ZINC001277193888 1301752253 /nfs/dbraw/zinc/75/22/53/1301752253.db2.gz OVTIHYBMJVMISP-JENIJYKNSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CCC[NH2+]CCc1ccns1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277271231 1302114904 /nfs/dbraw/zinc/11/49/04/1302114904.db2.gz CYJSRZVPHRQBEJ-ZBFHGGJFSA-N 2 0 338.521 2.044 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCOCC)CC1 ZINC001277402946 1302889622 /nfs/dbraw/zinc/88/96/22/1302889622.db2.gz CPIWYCYLDPCLPP-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001491558329 1303520372 /nfs/dbraw/zinc/52/03/72/1303520372.db2.gz JFMCENQESHJEOY-VQIMIIECSA-N 2 0 346.519 2.415 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C(C)C)[C@H](C)C1 ZINC001277762986 1304362265 /nfs/dbraw/zinc/36/22/65/1304362265.db2.gz HDISBUYNJAJRGD-CVEARBPZSA-N 2 0 336.480 2.012 10 0 EEAERP CCCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277925296 1305124227 /nfs/dbraw/zinc/12/42/27/1305124227.db2.gz ZDCVOVBSASPDSK-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001277938161 1305199350 /nfs/dbraw/zinc/19/93/50/1305199350.db2.gz PBIJSSBHYANEKW-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP COCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001278414948 1310160790 /nfs/dbraw/zinc/16/07/90/1310160790.db2.gz VPFGNSGWBLHPJI-LJQANCHMSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001278422647 1310200945 /nfs/dbraw/zinc/20/09/45/1310200945.db2.gz FGXKWDKWVGUPEN-YJBOKZPZSA-N 2 0 348.491 2.328 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278453150 1310340540 /nfs/dbraw/zinc/34/05/40/1310340540.db2.gz RSWGWBFKFHLMIT-YQVWRLOYSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH2+]CCC1CCN(C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000841849368 1315622494 /nfs/dbraw/zinc/62/24/94/1315622494.db2.gz PAJMJZNQTMZCPH-HNNXBMFYSA-N 2 0 338.883 2.281 10 0 EEAERP Cc1cc(C)cc(-n2ncc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000843127275 1315849889 /nfs/dbraw/zinc/84/98/89/1315849889.db2.gz PJXJOZRRSKMCQC-UHFFFAOYSA-N 2 0 325.460 2.460 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)n1 ZINC000843505017 1315925101 /nfs/dbraw/zinc/92/51/01/1315925101.db2.gz UBEYISVVKJZUIU-ZIAGYGMSSA-N 2 0 336.867 2.224 10 0 EEAERP COCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001278572365 1317260096 /nfs/dbraw/zinc/26/00/96/1317260096.db2.gz QCBRJEHLEPJYEX-HZPDHXFCSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCCCF)CCC1(F)F ZINC001278742178 1317943703 /nfs/dbraw/zinc/94/37/03/1317943703.db2.gz VDXOVARMNVXEKL-LSDHHAIUSA-N 2 0 349.441 2.294 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCCCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001263816576 1322525098 /nfs/dbraw/zinc/52/50/98/1322525098.db2.gz DYXCMAGGQRLXSV-CQSZACIVSA-N 2 0 347.425 2.348 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001264121878 1322633926 /nfs/dbraw/zinc/63/39/26/1322633926.db2.gz BEWXSMGENXRUGL-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)Cc1coc(C2CC2)n1 ZINC001264986372 1322835110 /nfs/dbraw/zinc/83/51/10/1322835110.db2.gz INGLEUBYLQHFPF-KRWDZBQOSA-N 2 0 348.491 2.363 10 0 EEAERP CO[C@@H](C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ccccc1 ZINC001264987677 1322836374 /nfs/dbraw/zinc/83/63/74/1322836374.db2.gz HLNOPFZVTBTJED-QRQLOZEOSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1nocc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001264994924 1322843323 /nfs/dbraw/zinc/84/33/23/1322843323.db2.gz NDNUNQPKVQQXMW-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP COc1cc(C[N@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)ccc1C ZINC001265058163 1322898493 /nfs/dbraw/zinc/89/84/93/1322898493.db2.gz KRIRQUXRYAHASB-SFHVURJKSA-N 2 0 347.503 2.284 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001265310135 1323060258 /nfs/dbraw/zinc/06/02/58/1323060258.db2.gz HVJXDSSSEALCFT-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCOC)C1 ZINC001265652232 1323297974 /nfs/dbraw/zinc/29/79/74/1323297974.db2.gz TWVXHWBBPNGNCK-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265673801 1323314022 /nfs/dbraw/zinc/31/40/22/1323314022.db2.gz MFSAMGPMSWRMDN-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](CCC(F)(F)F)C2CC2)C1 ZINC001266159195 1323728546 /nfs/dbraw/zinc/72/85/46/1323728546.db2.gz ICYCYSRPKCUUQJ-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001279150571 1323841567 /nfs/dbraw/zinc/84/15/67/1323841567.db2.gz VVAIILRGSMKOGN-QFBILLFUSA-N 2 0 331.504 2.498 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001280263779 1324134364 /nfs/dbraw/zinc/13/43/64/1324134364.db2.gz MDJQVZPZJJLRKB-QZTJIDSGSA-N 2 0 344.503 2.060 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001280440989 1324227390 /nfs/dbraw/zinc/22/73/90/1324227390.db2.gz QIEOAJDRBMBVDQ-JLSIVADVSA-N 2 0 325.884 2.051 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCC1 ZINC001280521913 1324273139 /nfs/dbraw/zinc/27/31/39/1324273139.db2.gz FTXPUQLCROMYGA-SJORKVTESA-N 2 0 339.524 2.039 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCO[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001280660451 1324381743 /nfs/dbraw/zinc/38/17/43/1324381743.db2.gz YOHNQQHLZWQRJL-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641292 1324939464 /nfs/dbraw/zinc/93/94/64/1324939464.db2.gz LESWAWKHSWXIAN-SJORKVTESA-N 2 0 325.472 2.237 10 0 EEAERP COCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001281293756 1324941229 /nfs/dbraw/zinc/94/12/29/1324941229.db2.gz VYMNDHCAVBXSNW-IBGZPJMESA-N 2 0 345.487 2.139 10 0 EEAERP CC(C)COCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001281527075 1325227895 /nfs/dbraw/zinc/22/78/95/1325227895.db2.gz XVCJRZVSXXRFGC-KRWDZBQOSA-N 2 0 341.540 2.216 10 0 EEAERP C[C@H](CCC[NH2+][C@@H](C)c1ncccn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001283248111 1325970457 /nfs/dbraw/zinc/97/04/57/1325970457.db2.gz KSAMKAIWRHCHOE-CVEARBPZSA-N 2 0 347.507 2.144 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001284814703 1326726369 /nfs/dbraw/zinc/72/63/69/1326726369.db2.gz AREURQZEAYVTBI-UHFFFAOYSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1ncccc1C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001284928138 1326780056 /nfs/dbraw/zinc/78/00/56/1326780056.db2.gz MZOYGUBKSFKCTO-UHFFFAOYSA-N 2 0 342.487 2.123 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854915 1330275142 /nfs/dbraw/zinc/27/51/42/1330275142.db2.gz AMNNNGBJAGGRFB-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc2cccnc21 ZINC001491992385 1330384384 /nfs/dbraw/zinc/38/43/84/1330384384.db2.gz SHSHGRGBDNRMNI-QAPCUYQASA-N 2 0 340.471 2.313 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1 ZINC001492024267 1330450666 /nfs/dbraw/zinc/45/06/66/1330450666.db2.gz OBGVAKGROGWBQY-QFBILLFUSA-N 2 0 329.488 2.055 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001492128531 1330981735 /nfs/dbraw/zinc/98/17/35/1330981735.db2.gz WNESRDRHASIBNU-DOTOQJQBSA-N 2 0 335.467 2.194 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCC(F)(F)F)C1 ZINC001492177506 1331056430 /nfs/dbraw/zinc/05/64/30/1331056430.db2.gz HEBRXMBXFVAHMU-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC(C)(C)C1 ZINC001316809407 1331905612 /nfs/dbraw/zinc/90/56/12/1331905612.db2.gz BVLSNGZWNYXFNM-ARFHVFGLSA-N 2 0 348.491 2.157 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(F)cc1 ZINC001316908048 1331974577 /nfs/dbraw/zinc/97/45/77/1331974577.db2.gz UNIQTQSDUWESSW-UHFFFAOYSA-N 2 0 333.451 2.250 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001316985009 1332030079 /nfs/dbraw/zinc/03/00/79/1332030079.db2.gz GXWWREPWDXSANR-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317177431 1332115496 /nfs/dbraw/zinc/11/54/96/1332115496.db2.gz HNZXOWCEHDSIRZ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CC1CCOCC1 ZINC001317433195 1332237636 /nfs/dbraw/zinc/23/76/36/1332237636.db2.gz CYWRXTSCZDALHP-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccnc(Cl)c1 ZINC001317547213 1332292649 /nfs/dbraw/zinc/29/26/49/1332292649.db2.gz WSYVKBQRMIJPSA-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C12CCC[NH+]1CCC2 ZINC001317605908 1332322354 /nfs/dbraw/zinc/32/23/54/1332322354.db2.gz SFAOONXEVDLSAP-UHFFFAOYSA-N 2 0 341.499 2.352 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001317668522 1332360834 /nfs/dbraw/zinc/36/08/34/1332360834.db2.gz DJOIUMHOLVDPHI-HZPDHXFCSA-N 2 0 349.523 2.059 10 0 EEAERP CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001317759865 1332400035 /nfs/dbraw/zinc/40/00/35/1332400035.db2.gz UXVDTTCLUBPAFH-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001318255098 1332497403 /nfs/dbraw/zinc/49/74/03/1332497403.db2.gz MYIPUENLBOYHTO-IRXDYDNUSA-N 2 0 325.472 2.357 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCC(F)(F)F)CCCC2)CC[N@@H+]1C ZINC001318635563 1332571163 /nfs/dbraw/zinc/57/11/63/1332571163.db2.gz GZVUYFXEIXYDKW-CHWSQXEVSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCc1cccs1 ZINC001319248749 1332671069 /nfs/dbraw/zinc/67/10/69/1332671069.db2.gz BRBAHHNFPCPIAF-HNNXBMFYSA-N 2 0 337.533 2.364 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCc1ccccc1Cl ZINC001319283549 1332674883 /nfs/dbraw/zinc/67/48/83/1332674883.db2.gz RWXHFVOKUXXZSH-GDBMZVCRSA-N 2 0 337.895 2.176 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1 ZINC001319789097 1332768316 /nfs/dbraw/zinc/76/83/16/1332768316.db2.gz XCHDMJOMQPITGV-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001319869813 1332789313 /nfs/dbraw/zinc/78/93/13/1332789313.db2.gz QGFIHGLBKLZHOC-UONOGXRCSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001320419617 1332879211 /nfs/dbraw/zinc/87/92/11/1332879211.db2.gz AYXPMEUZBHIOAB-ZHALLVOQSA-N 2 0 331.504 2.362 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001320477442 1332893451 /nfs/dbraw/zinc/89/34/51/1332893451.db2.gz WTTIAWSNZZZIJS-ZDUSSCGKSA-N 2 0 336.505 2.064 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320514838 1332901110 /nfs/dbraw/zinc/90/11/10/1332901110.db2.gz BLLXDWITFYOPOM-DZGCQCFKSA-N 2 0 331.451 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cnc(C)o2)C1 ZINC001320527560 1332903107 /nfs/dbraw/zinc/90/31/07/1332903107.db2.gz ANJWFEAUTSBKMQ-ZBFHGGJFSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1cccc(OCC[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001320544404 1332907145 /nfs/dbraw/zinc/90/71/45/1332907145.db2.gz SDZPNLMRCONIEY-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320999922 1332995138 /nfs/dbraw/zinc/99/51/38/1332995138.db2.gz WFPDXUROBPXLCP-HPFMTEOYSA-N 2 0 345.487 2.330 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnccc1C ZINC001321083472 1333014525 /nfs/dbraw/zinc/01/45/25/1333014525.db2.gz KCOPBYONPMSTLU-WRFKIARRSA-N 2 0 330.476 2.026 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001321120406 1333023600 /nfs/dbraw/zinc/02/36/00/1333023600.db2.gz IJKZCOMDZLEMQW-GNAXCBTBSA-N 2 0 340.471 2.414 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccc(Cl)cc1 ZINC001321190038 1333041034 /nfs/dbraw/zinc/04/10/34/1333041034.db2.gz SDPGTKJSMKKTOV-BAHPRDJBSA-N 2 0 335.879 2.239 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cc2ccccc2o1 ZINC001321404462 1333096001 /nfs/dbraw/zinc/09/60/01/1333096001.db2.gz QOOJDCFUSRUVEE-ARJAWSKDSA-N 2 0 327.428 2.291 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321418718 1333099730 /nfs/dbraw/zinc/09/97/30/1333099730.db2.gz HXBWDHDHFYHMRT-ZPUOCTKUSA-N 2 0 348.491 2.182 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001322530508 1333277260 /nfs/dbraw/zinc/27/72/60/1333277260.db2.gz GTRZFSMJHKVZQZ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001322650934 1333300568 /nfs/dbraw/zinc/30/05/68/1333300568.db2.gz HRIVICZFQZIXHG-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)on1 ZINC001322724679 1333315116 /nfs/dbraw/zinc/31/51/16/1333315116.db2.gz STAUATSYTMHCTH-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)C12CC[NH+](CC1)C2 ZINC001322793919 1333327823 /nfs/dbraw/zinc/32/78/23/1333327823.db2.gz XZOGEYNGKAIFGD-SFHVURJKSA-N 2 0 345.462 2.347 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH+](CCOCC)C1 ZINC001323641869 1333506796 /nfs/dbraw/zinc/50/67/96/1333506796.db2.gz LGBBOYHXWACGQB-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001323659920 1333510771 /nfs/dbraw/zinc/51/07/71/1333510771.db2.gz HMBJVNGOOGMFAC-HQSKLWIPSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCc1cccs1 ZINC001325557060 1333910759 /nfs/dbraw/zinc/91/07/59/1333910759.db2.gz XGGUTVZGFJSWPK-DOTOQJQBSA-N 2 0 349.544 2.317 10 0 EEAERP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001325576956 1333915395 /nfs/dbraw/zinc/91/53/95/1333915395.db2.gz UCNSFDFWBPUYCQ-OBMCYFHOSA-N 2 0 327.900 2.155 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cnc(C)o2)C1 ZINC001326288981 1334060267 /nfs/dbraw/zinc/06/02/67/1334060267.db2.gz PVHVQAKZJXRIEA-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP CN(C)c1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001326350443 1334073778 /nfs/dbraw/zinc/07/37/78/1334073778.db2.gz BIAGCZIRIUPILB-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP CCCC[NH2+]C1(CC)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001327478665 1334299197 /nfs/dbraw/zinc/29/91/97/1334299197.db2.gz LIVQVFRPBWFOCF-UHFFFAOYSA-N 2 0 349.523 2.219 10 0 EEAERP CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCOCC1 ZINC001327651209 1334327824 /nfs/dbraw/zinc/32/78/24/1334327824.db2.gz YXNBTURTKQDTMV-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CCC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001330330890 1334824522 /nfs/dbraw/zinc/82/45/22/1334824522.db2.gz XOZYFAYXBBXJDW-BHNSQDDESA-N 2 0 333.520 2.369 10 0 EEAERP Cc1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001330955609 1334934319 /nfs/dbraw/zinc/93/43/19/1334934319.db2.gz RTZDQBGVDQXDRN-QGZVFWFLSA-N 2 0 329.488 2.465 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001330978506 1334939876 /nfs/dbraw/zinc/93/98/76/1334939876.db2.gz ZXWLFRTZJPQFEX-NVXWUHKLSA-N 2 0 333.476 2.021 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccccc1 ZINC001331616017 1335046255 /nfs/dbraw/zinc/04/62/55/1335046255.db2.gz NDNYMVVCDUIRIL-QGZVFWFLSA-N 2 0 329.488 2.152 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C[C@H]1C ZINC001332052443 1335715190 /nfs/dbraw/zinc/71/51/90/1335715190.db2.gz YNUHIBIFCJGCBZ-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900668 1335927395 /nfs/dbraw/zinc/92/73/95/1335927395.db2.gz VCKKDRQBMXAGJY-IAGOWNOFSA-N 2 0 341.540 2.121 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333020855 1335948878 /nfs/dbraw/zinc/94/88/78/1335948878.db2.gz JJTSFCKBNGDUJB-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847409934 1338038668 /nfs/dbraw/zinc/03/86/68/1338038668.db2.gz VUKFQBZPKJCDBQ-HDICACEKSA-N 2 0 332.492 2.230 10 0 EEAERP C[C@@H]1CN(C(=[NH2+])NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000849095268 1338839223 /nfs/dbraw/zinc/83/92/23/1338839223.db2.gz PSAICUDGJMFSPP-MRXNPFEDSA-N 2 0 330.476 2.418 10 0 EEAERP COc1cc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)ccc1C ZINC001668196087 1355896181 /nfs/dbraw/zinc/89/61/81/1355896181.db2.gz CUPROVMSHCAIFE-INIZCTEOSA-N 2 0 347.503 2.330 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)C[NH+]1CCC(C)CC1 ZINC001668596974 1355970267 /nfs/dbraw/zinc/97/02/67/1355970267.db2.gz ONXOUFBUQZFFMV-UHFFFAOYSA-N 2 0 346.519 2.368 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001436368833 1342055963 /nfs/dbraw/zinc/05/59/63/1342055963.db2.gz ZQDHBZBQWVVAOZ-KDURUIRLSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500393013 1342185940 /nfs/dbraw/zinc/18/59/40/1342185940.db2.gz JYFINYISWANBOR-HXUWFJFHSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001567148745 1342701473 /nfs/dbraw/zinc/70/14/73/1342701473.db2.gz URUDVZAQMMNUGH-JKSUJKDBSA-N 2 0 335.517 2.071 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001567176433 1342705096 /nfs/dbraw/zinc/70/50/96/1342705096.db2.gz LTTHQBOWIJUGHQ-DLBZAZTESA-N 2 0 336.480 2.232 10 0 EEAERP CN(CC[NH2+]Cc1cc(O)ccc1Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001567508070 1342775109 /nfs/dbraw/zinc/77/51/09/1342775109.db2.gz PECIKEBZFVDPGW-UHFFFAOYSA-N 2 0 339.867 2.078 10 0 EEAERP Cc1cccc(OCC[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001567610995 1342793490 /nfs/dbraw/zinc/79/34/90/1342793490.db2.gz QWCPTKIOCQLHPE-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001569818695 1342951486 /nfs/dbraw/zinc/95/14/86/1342951486.db2.gz FSJXLVLRZMMOHW-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001570009524 1342998426 /nfs/dbraw/zinc/99/84/26/1342998426.db2.gz IOLPKAXRQSMGSX-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001570177530 1343026711 /nfs/dbraw/zinc/02/67/11/1343026711.db2.gz NSVLIXKZWCKHML-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001571549117 1343234772 /nfs/dbraw/zinc/23/47/72/1343234772.db2.gz XSVFWHLSDAWJCF-OALUTQOASA-N 2 0 341.499 2.199 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001676481043 1357156047 /nfs/dbraw/zinc/15/60/47/1357156047.db2.gz OIAFJVYYOXGKOY-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001677028133 1357265075 /nfs/dbraw/zinc/26/50/75/1357265075.db2.gz HLQXPEKJXHSWRG-SFHVURJKSA-N 2 0 347.503 2.225 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306173 1357310522 /nfs/dbraw/zinc/31/05/22/1357310522.db2.gz CMRNOBINIMEFPL-RYUDHWBXSA-N 2 0 336.307 2.378 10 0 EEAERP COc1cccc(CCC[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001649464616 1353519591 /nfs/dbraw/zinc/51/95/91/1353519591.db2.gz RKGWOVBCQCXFBK-QFBILLFUSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)no1 ZINC001656453534 1354239508 /nfs/dbraw/zinc/23/95/08/1354239508.db2.gz NJMHQJYOPSBHKZ-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP CCCCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001660780926 1354537649 /nfs/dbraw/zinc/53/76/49/1354537649.db2.gz ZWDDBBFUTSYBKX-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)CC[N@@H+]1C ZINC001661600638 1354664059 /nfs/dbraw/zinc/66/40/59/1354664059.db2.gz ARYVAHIAXXQOBG-OQIJWPOYSA-N 2 0 329.488 2.196 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661610038 1354664482 /nfs/dbraw/zinc/66/44/82/1354664482.db2.gz FLVCRUAHPXSZJT-CALCHBBNSA-N 2 0 345.487 2.095 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001661842612 1354707418 /nfs/dbraw/zinc/70/74/18/1354707418.db2.gz QQCPICVPGDNGFH-OLZOCXBDSA-N 2 0 334.291 2.085 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001662388768 1354789900 /nfs/dbraw/zinc/78/99/00/1354789900.db2.gz QEIUVHYIBDSDMC-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001663537044 1354982268 /nfs/dbraw/zinc/98/22/68/1354982268.db2.gz JGKGWSCUNRSDOF-SFHVURJKSA-N 2 0 349.519 2.178 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664009450 1355073205 /nfs/dbraw/zinc/07/32/05/1355073205.db2.gz YGWBVYGKZFVGRF-AEFFLSMTSA-N 2 0 333.451 2.391 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001664309178 1355135244 /nfs/dbraw/zinc/13/52/44/1355135244.db2.gz IJFPOKKSGZJPOK-MRXNPFEDSA-N 2 0 332.492 2.095 10 0 EEAERP C[C@H](C(=O)NCc1ccc(C[NH2+]CCCO)cc1)[NH+]1CCCCCC1 ZINC001666344644 1355513809 /nfs/dbraw/zinc/51/38/09/1355513809.db2.gz MAIVDOHSTHZSCF-QGZVFWFLSA-N 2 0 347.503 2.039 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976762 1355626581 /nfs/dbraw/zinc/62/65/81/1355626581.db2.gz KYPZQZCGVPSLOI-NLZINVLXSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)o1 ZINC001667209755 1355673699 /nfs/dbraw/zinc/67/36/99/1355673699.db2.gz BTZGDRLRBOOOER-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cscn1 ZINC001667210098 1355674503 /nfs/dbraw/zinc/67/45/03/1355674503.db2.gz DSJKQINXLAWSBX-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001667743273 1355804373 /nfs/dbraw/zinc/80/43/73/1355804373.db2.gz DXDSYDBUSIXWEL-OALUTQOASA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112133 1355873431 /nfs/dbraw/zinc/87/34/31/1355873431.db2.gz AUSPSRAJSHDBTE-CZUORRHYSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001668278625 1355914056 /nfs/dbraw/zinc/91/40/56/1355914056.db2.gz JUQHKYVWUHAERJ-IUODEOHRSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CC[NH2+]CC1CCCCC1 ZINC001668308636 1355920396 /nfs/dbraw/zinc/92/03/96/1355920396.db2.gz AOIDUXKEZABCAT-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CC[NH+]1CCCCC1 ZINC001668320328 1355922827 /nfs/dbraw/zinc/92/28/27/1355922827.db2.gz PGEIFEXTWLVJQD-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)COC1CC[NH+](C)CC1 ZINC001668601205 1355970583 /nfs/dbraw/zinc/97/05/83/1355970583.db2.gz MSAJHQNCRDHCDG-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001669020965 1356070100 /nfs/dbraw/zinc/07/01/00/1356070100.db2.gz MZZJVJBKOHCGTR-NSCUHMNNSA-N 2 0 333.451 2.260 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001669038830 1356073073 /nfs/dbraw/zinc/07/30/73/1356073073.db2.gz FOPOKXAPZTZSCD-BAABZTOOSA-N 2 0 337.414 2.069 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001669189282 1356120840 /nfs/dbraw/zinc/12/08/40/1356120840.db2.gz LUMLUFBCVXMPIW-UPHRSURJSA-N 2 0 337.414 2.482 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001669202239 1356124866 /nfs/dbraw/zinc/12/48/66/1356124866.db2.gz YZWXFLGNWPFOPT-JHZNUDOXSA-N 2 0 329.435 2.167 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001669388028 1356154265 /nfs/dbraw/zinc/15/42/65/1356154265.db2.gz FVUXTXLGKCVYCB-YPMHNXCESA-N 2 0 336.307 2.006 10 0 EEAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001669580925 1356178538 /nfs/dbraw/zinc/17/85/38/1356178538.db2.gz VOBMJSQWBBLFDY-JSGCOSHPSA-N 2 0 335.414 2.440 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001670129618 1356280892 /nfs/dbraw/zinc/28/08/92/1356280892.db2.gz AFUCGLKOIHTWNN-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)COC2CC[NH+](C)CC2)cc1 ZINC001670296189 1356313701 /nfs/dbraw/zinc/31/37/01/1356313701.db2.gz XDUXRFFGGIIKCX-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)o1 ZINC001670353139 1356325627 /nfs/dbraw/zinc/32/56/27/1356325627.db2.gz PLQFZINZRBQVDZ-OKILXGFUSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001670357297 1356326165 /nfs/dbraw/zinc/32/61/65/1356326165.db2.gz ALVSCCOQYKCIRW-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2)C12CC[NH+](CC1)C2 ZINC001672166057 1356471910 /nfs/dbraw/zinc/47/19/10/1356471910.db2.gz ANDFYDWCJAXIQT-ULQDDVLXSA-N 2 0 337.483 2.191 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ncc(C)s2)C1)[NH+](C)C ZINC001672815389 1356590629 /nfs/dbraw/zinc/59/06/29/1356590629.db2.gz GDLHMMAVAWGQPL-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001673300165 1356663794 /nfs/dbraw/zinc/66/37/94/1356663794.db2.gz XXYXRVBOYQGJSH-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@](CO)([NH2+]CCC(C)(C)C)C1 ZINC001673703586 1356737150 /nfs/dbraw/zinc/73/71/50/1356737150.db2.gz JGISUDBFIAPGPY-LJQANCHMSA-N 2 0 341.540 2.098 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001674491148 1356845668 /nfs/dbraw/zinc/84/56/68/1356845668.db2.gz LPURNAHEFGATBV-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001698765717 1405050057 /nfs/dbraw/zinc/05/00/57/1405050057.db2.gz PNTIVPDZBPDMRE-QGZVFWFLSA-N 2 0 331.504 2.221 10 0 EEAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698824668 1405091416 /nfs/dbraw/zinc/09/14/16/1405091416.db2.gz PBYPGKZMFJEIQX-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001698919629 1405161508 /nfs/dbraw/zinc/16/15/08/1405161508.db2.gz CXYZFMNTNRZVOG-QZTJIDSGSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699139958 1405290262 /nfs/dbraw/zinc/29/02/62/1405290262.db2.gz CAZSYTJWHHZILH-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP COc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c(OC)c1 ZINC000925848774 779554895 /nfs/dbraw/zinc/55/48/95/779554895.db2.gz KOMNITPQFXZZCJ-INIZCTEOSA-N 2 0 335.492 2.430 10 0 EEAERP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)C[C@H]3COCCN3)C2=O)c(C)c1 ZINC000817923322 785075910 /nfs/dbraw/zinc/07/59/10/785075910.db2.gz IHTUALZDRFYGJY-BZSNNMDCSA-N 2 0 345.487 2.074 10 0 EEAERP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000908276310 785291899 /nfs/dbraw/zinc/29/18/99/785291899.db2.gz VYGVIOOTHHWCKD-SJLPKXTDSA-N 2 0 325.456 2.225 10 0 EEAERP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000819083949 785393936 /nfs/dbraw/zinc/39/39/36/785393936.db2.gz IQYXJHIWFRQCSP-KSSFIOAISA-N 2 0 338.879 2.464 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598845 788255270 /nfs/dbraw/zinc/25/52/70/788255270.db2.gz HBWSSKHIIGRDOS-CABCVRRESA-N 2 0 327.538 2.050 10 0 EEAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912988003 788531748 /nfs/dbraw/zinc/53/17/48/788531748.db2.gz RLQPTFGFMCSLTO-LJQANCHMSA-N 2 0 341.499 2.451 10 0 EEAERP C[C@](C[NH3+])([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000923295890 789327681 /nfs/dbraw/zinc/32/76/81/789327681.db2.gz JRFLITNWDGQJRJ-XHDPSFHLSA-N 2 0 333.259 2.450 10 0 EEAERP C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297948 789330742 /nfs/dbraw/zinc/33/07/42/789330742.db2.gz QEORFTNZYITHRR-CQSZACIVSA-N 2 0 325.250 2.259 10 0 EEAERP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306221 789348487 /nfs/dbraw/zinc/34/84/87/789348487.db2.gz IHYZNVWFOJGRDB-GOSISDBHSA-N 2 0 340.471 2.320 10 0 EEAERP O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923321657 789378984 /nfs/dbraw/zinc/37/89/84/789378984.db2.gz NSRDGFDDRATXEF-JALIKCBVSA-N 2 0 334.489 2.467 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cncc(Br)c1)CC2 ZINC000923452377 789584842 /nfs/dbraw/zinc/58/48/42/789584842.db2.gz QKJGSEVAZCWODF-AWEZNQCLSA-N 2 0 340.265 2.174 10 0 EEAERP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497653 789672493 /nfs/dbraw/zinc/67/24/93/789672493.db2.gz ICNXTCBKSSRPHB-NVXWUHKLSA-N 2 0 333.476 2.008 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921686238 794834288 /nfs/dbraw/zinc/83/42/88/794834288.db2.gz PRRLEJRHLKJCRO-QGZVFWFLSA-N 2 0 347.551 2.441 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000914083115 794848049 /nfs/dbraw/zinc/84/80/49/794848049.db2.gz OTCNQONIBPZJKF-NXHRZFHOSA-N 2 0 330.476 2.215 10 0 EEAERP CN1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1=O ZINC000716673602 796405929 /nfs/dbraw/zinc/40/59/29/796405929.db2.gz PBQJBXNEUNAPTK-MANSERQUSA-N 2 0 327.472 2.250 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000916361482 797591990 /nfs/dbraw/zinc/59/19/90/797591990.db2.gz OLFQYBJHUMRVHR-WBVHZDCISA-N 2 0 335.496 2.104 10 0 EEAERP C[C@H](O)C(C)(C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000823708491 798759431 /nfs/dbraw/zinc/75/94/31/798759431.db2.gz ATQFMQWZUDMKSZ-JTQLQIEISA-N 2 0 330.375 2.319 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCOC)C2)C1 ZINC001566072089 1125545323 /nfs/dbraw/zinc/54/53/23/1125545323.db2.gz QIAUZFQQSTWMPD-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566453679 1125613851 /nfs/dbraw/zinc/61/38/51/1125613851.db2.gz GIWUGWOOEWAWNM-HNNXBMFYSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001436415130 1087769494 /nfs/dbraw/zinc/76/94/94/1087769494.db2.gz JKFCSRKZPDHXHX-UHOSZYNNSA-N 2 0 346.519 2.351 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCOCC1 ZINC001436663788 1088094536 /nfs/dbraw/zinc/09/45/36/1088094536.db2.gz HJZGFYGLNPESHG-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(F)cn1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436666211 1088100925 /nfs/dbraw/zinc/10/09/25/1088100925.db2.gz LHMKLGZQYCNQMG-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001436699076 1088161555 /nfs/dbraw/zinc/16/15/55/1088161555.db2.gz LXQRLUHEWPGACO-IAGOWNOFSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC001436894362 1088543528 /nfs/dbraw/zinc/54/35/28/1088543528.db2.gz HDGITJCNEBAAQI-QAQDUYKDSA-N 2 0 344.503 2.426 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001436973168 1088664854 /nfs/dbraw/zinc/66/48/54/1088664854.db2.gz IBTLKJBHGAQQLH-BETUJISGSA-N 2 0 325.403 2.043 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001436975187 1088670169 /nfs/dbraw/zinc/67/01/69/1088670169.db2.gz IYTXUHRBRJMDST-SOUVJXGZSA-N 2 0 331.451 2.391 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC001436975194 1088670265 /nfs/dbraw/zinc/67/02/65/1088670265.db2.gz JAAICZHMLFNQRT-CALCHBBNSA-N 2 0 333.476 2.082 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001437015730 1088799540 /nfs/dbraw/zinc/79/95/40/1088799540.db2.gz AVPXLLQGMKFRJC-FWRQMEPDSA-N 2 0 336.307 2.474 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001437739921 1090301781 /nfs/dbraw/zinc/30/17/81/1090301781.db2.gz WSQPLJLOMNXETC-IAGOWNOFSA-N 2 0 333.451 2.106 10 0 EEAERP Cc1cc(C[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cs1 ZINC001437814544 1090407641 /nfs/dbraw/zinc/40/76/41/1090407641.db2.gz KMUZURDEXCTQSY-HNNXBMFYSA-N 2 0 335.517 2.479 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001437833579 1090420911 /nfs/dbraw/zinc/42/09/11/1090420911.db2.gz KWOABRIQRLWRKL-IIDMSEBBSA-N 2 0 333.476 2.144 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001438192181 1090690438 /nfs/dbraw/zinc/69/04/38/1090690438.db2.gz NPYMQJLGNZZKMS-WMZOPIPTSA-N 2 0 333.451 2.345 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(-c2ccco2)on1 ZINC001438279259 1090763924 /nfs/dbraw/zinc/76/39/24/1090763924.db2.gz CSDTWZYXZMCGED-ZFWWWQNUSA-N 2 0 346.431 2.013 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(-c2ccco2)on1 ZINC001438279257 1090764207 /nfs/dbraw/zinc/76/42/07/1090764207.db2.gz CSDTWZYXZMCGED-HIFRSBDPSA-N 2 0 346.431 2.013 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1scnc1C ZINC001438293729 1090774975 /nfs/dbraw/zinc/77/49/75/1090774975.db2.gz FTOYQHMJNMBXBL-SOUVJXGZSA-N 2 0 338.521 2.166 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001438380142 1090864073 /nfs/dbraw/zinc/86/40/73/1090864073.db2.gz VRIOOUQSBLFQCN-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)s1 ZINC001438386322 1090871791 /nfs/dbraw/zinc/87/17/91/1090871791.db2.gz TYIGJCOTVLYKKG-HNNXBMFYSA-N 2 0 336.505 2.064 10 0 EEAERP COc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001438410571 1090900848 /nfs/dbraw/zinc/90/08/48/1090900848.db2.gz AYTBDXUJBQMLLA-AZUAARDMSA-N 2 0 345.487 2.164 10 0 EEAERP COc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001438428009 1090925380 /nfs/dbraw/zinc/92/53/80/1090925380.db2.gz FBGACGJEMOSWMK-JXFKEZNVSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)no1 ZINC001438434931 1090936526 /nfs/dbraw/zinc/93/65/26/1090936526.db2.gz ZQNLBYOVSGTJLQ-KBXCAEBGSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438495456 1090993256 /nfs/dbraw/zinc/99/32/56/1090993256.db2.gz YSKNQBFDQQMFDT-AUUYWEPGSA-N 2 0 347.478 2.318 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438495460 1090993358 /nfs/dbraw/zinc/99/33/58/1090993358.db2.gz YSKNQBFDQQMFDT-KUHUBIRLSA-N 2 0 347.478 2.318 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1([NH2+]C[C@H]2CC(C)(C)CO2)CCCC1 ZINC001438604943 1091092222 /nfs/dbraw/zinc/09/22/22/1091092222.db2.gz AMQKGHNZVOWRJI-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001445502596 1091280953 /nfs/dbraw/zinc/28/09/53/1091280953.db2.gz MTDWJZVZKJMETB-SJORKVTESA-N 2 0 331.504 2.226 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001438760779 1091328135 /nfs/dbraw/zinc/32/81/35/1091328135.db2.gz ALLQNNNALMMRQJ-MAUKXSAKSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC(C)(C)C1 ZINC001438807511 1091418161 /nfs/dbraw/zinc/41/81/61/1091418161.db2.gz FMWYBJPNJYBRID-ROUUACIJSA-N 2 0 335.536 2.495 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001445763670 1091615951 /nfs/dbraw/zinc/61/59/51/1091615951.db2.gz ZRXCJJXQYDECHA-YQVWRLOYSA-N 2 0 347.503 2.151 10 0 EEAERP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001445773095 1091636436 /nfs/dbraw/zinc/63/64/36/1091636436.db2.gz YKRUTLNTPHUDNI-NVXWUHKLSA-N 2 0 332.492 2.462 10 0 EEAERP C[C@H](C[N@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445785276 1091652150 /nfs/dbraw/zinc/65/21/50/1091652150.db2.gz ZHHGJIZWLPJIQY-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001439109019 1091752777 /nfs/dbraw/zinc/75/27/77/1091752777.db2.gz FVNCEEHWCFRACL-BEFAXECRSA-N 2 0 345.487 2.184 10 0 EEAERP CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445854866 1091770751 /nfs/dbraw/zinc/77/07/51/1091770751.db2.gz OYCCMIPKQWLGPY-MRXNPFEDSA-N 2 0 329.488 2.281 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439178599 1091825023 /nfs/dbraw/zinc/82/50/23/1091825023.db2.gz OLOOXGUMFUHURU-WBVHZDCISA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C12CCC[NH+]1CCC2 ZINC001439227609 1091872062 /nfs/dbraw/zinc/87/20/62/1091872062.db2.gz ITEHMFRDNLWLSZ-YJBOKZPZSA-N 2 0 327.472 2.397 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cnccc1C ZINC001439413343 1092180604 /nfs/dbraw/zinc/18/06/04/1092180604.db2.gz YLWAVFVGLBDYGZ-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)Cc2cncn2C)CC1)c1ccccc1F ZINC001446266699 1092411507 /nfs/dbraw/zinc/41/15/07/1092411507.db2.gz LXHHHAZWHYQEJQ-ZDUSSCGKSA-N 2 0 330.407 2.101 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH+](CCOC)C1 ZINC001446290345 1092446975 /nfs/dbraw/zinc/44/69/75/1092446975.db2.gz FQQJGLLMYWSOHB-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CCCC2)on1 ZINC001439816112 1092792304 /nfs/dbraw/zinc/79/23/04/1092792304.db2.gz NEJAXAOZYMUOPE-KDOFPFPSSA-N 2 0 348.491 2.089 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+](CCOC)C2)C1 ZINC001439828238 1092818176 /nfs/dbraw/zinc/81/81/76/1092818176.db2.gz KDFOPOXMFAZYBP-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001439854667 1092876583 /nfs/dbraw/zinc/87/65/83/1092876583.db2.gz RTYPDXUYSPQXDF-ZBFHGGJFSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2nocc2C)C1 ZINC001439899391 1092960717 /nfs/dbraw/zinc/96/07/17/1092960717.db2.gz DBRHAQXXABGUCV-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](Cc2ccccc2F)CC1 ZINC001439919866 1092996945 /nfs/dbraw/zinc/99/69/45/1092996945.db2.gz CBQQTKUBEKILRI-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440116691 1093177224 /nfs/dbraw/zinc/17/72/24/1093177224.db2.gz GMSOZOHBARBGSE-MJGOQNOKSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1conc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001440123952 1093184275 /nfs/dbraw/zinc/18/42/75/1093184275.db2.gz NQRLIDLXVNHIOA-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001440309931 1093439111 /nfs/dbraw/zinc/43/91/11/1093439111.db2.gz YCFFDKOTDTXUEE-SOUVJXGZSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]2C1 ZINC001448466120 1093476775 /nfs/dbraw/zinc/47/67/75/1093476775.db2.gz DLYWCJOQRFEHTE-GVDBMIGSSA-N 2 0 349.544 2.459 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cccc(F)c2F)CCC1 ZINC001440354676 1093510660 /nfs/dbraw/zinc/51/06/60/1093510660.db2.gz QWDIOZQMLMJWTM-UHFFFAOYSA-N 2 0 337.414 2.189 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccccc3)C2)C1 ZINC001440408526 1093600317 /nfs/dbraw/zinc/60/03/17/1093600317.db2.gz GPNXQUXHPAVLHN-XUVXKRRUSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCOCC1 ZINC001448558141 1093603613 /nfs/dbraw/zinc/60/36/13/1093603613.db2.gz JJVNQENFFGZZBP-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001440409809 1093603834 /nfs/dbraw/zinc/60/38/34/1093603834.db2.gz ZDLBFFIZQMHMMO-YESZJQIVSA-N 2 0 327.488 2.485 10 0 EEAERP CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)c1 ZINC001440446647 1093656501 /nfs/dbraw/zinc/65/65/01/1093656501.db2.gz LSEWYVXOHISPHU-UXHICEINSA-N 2 0 343.515 2.481 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001440529017 1093785332 /nfs/dbraw/zinc/78/53/32/1093785332.db2.gz HQEBYSVQWQCWLW-HOTGVXAUSA-N 2 0 325.472 2.334 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cncs2)C1 ZINC001448714938 1093787476 /nfs/dbraw/zinc/78/74/76/1093787476.db2.gz ZCDFGVBLKPWPDZ-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001440729178 1093974640 /nfs/dbraw/zinc/97/46/40/1093974640.db2.gz XMVNPYOCOZZTAI-JKSUJKDBSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cncc(C[NH2+]CC2CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001440758592 1094001134 /nfs/dbraw/zinc/00/11/34/1094001134.db2.gz OABHTVOFCCTMIU-NKELODKYSA-N 2 0 344.503 2.249 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440850657 1094109605 /nfs/dbraw/zinc/10/96/05/1094109605.db2.gz CVVXDDRSCKYZDF-SJORKVTESA-N 2 0 331.504 2.370 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCOC1)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001449260352 1094209309 /nfs/dbraw/zinc/20/93/09/1094209309.db2.gz KLSHVOPLDUSICW-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1oc(C)nc1C)C(C)(C)C)[NH+](C)C ZINC001449311812 1094264738 /nfs/dbraw/zinc/26/47/38/1094264738.db2.gz SIHBNBIPRCWURH-ZBFHGGJFSA-N 2 0 338.496 2.252 10 0 EEAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCF)CC1 ZINC001449351332 1094310801 /nfs/dbraw/zinc/31/08/01/1094310801.db2.gz JUURYFCFEHPGQX-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncoc1CN(C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441040409 1094335057 /nfs/dbraw/zinc/33/50/57/1094335057.db2.gz VLSQKMJEEWAYMC-YOEHRIQHSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001441199145 1094559358 /nfs/dbraw/zinc/55/93/58/1094559358.db2.gz SZMURILUCPLQDM-ATZDWAIDSA-N 2 0 329.488 2.320 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)c1 ZINC001441260001 1094662857 /nfs/dbraw/zinc/66/28/57/1094662857.db2.gz XCDSVOPHMZMNAW-MOPGFXCFSA-N 2 0 329.488 2.240 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001441296740 1094736056 /nfs/dbraw/zinc/73/60/56/1094736056.db2.gz QPFHLXLYVSBEII-KBPBESRZSA-N 2 0 348.318 2.428 10 0 EEAERP C[N@H+](CCCF)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001441312010 1094764548 /nfs/dbraw/zinc/76/45/48/1094764548.db2.gz VJXAKXNPFOHUFX-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCCF)C[C@H]2C1 ZINC001441338494 1094822011 /nfs/dbraw/zinc/82/20/11/1094822011.db2.gz JIULIXWYASPKGX-RCCFBDPRSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCOCC1 ZINC001441404493 1094978003 /nfs/dbraw/zinc/97/80/03/1094978003.db2.gz NKKFMVNZRHFICB-QGZVFWFLSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CCF ZINC001441420645 1095003952 /nfs/dbraw/zinc/00/39/52/1095003952.db2.gz RMIHHASWKWWYOZ-CEXWTWQISA-N 2 0 349.494 2.422 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001441483984 1095157936 /nfs/dbraw/zinc/15/79/36/1095157936.db2.gz CQSBYGSMGBJXHE-FGTMMUONSA-N 2 0 333.451 2.437 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](CC4CCC4)CC[C@H]32)CC1 ZINC001441486473 1095160917 /nfs/dbraw/zinc/16/09/17/1095160917.db2.gz XGFHNKMANVZFOQ-QZTJIDSGSA-N 2 0 333.520 2.441 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2F)C[C@@H]1C ZINC001441824878 1095867136 /nfs/dbraw/zinc/86/71/36/1095867136.db2.gz BGCPFWRBLCJKOB-ZFWWWQNUSA-N 2 0 339.430 2.384 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC001441830426 1095886596 /nfs/dbraw/zinc/88/65/96/1095886596.db2.gz GUXINUATMUPWPA-DZGCQCFKSA-N 2 0 339.430 2.384 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3conc3C)[C@@H]2C1 ZINC001441872811 1095989091 /nfs/dbraw/zinc/98/90/91/1095989091.db2.gz MSHNTLCTTRWCPY-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001442141295 1096389462 /nfs/dbraw/zinc/38/94/62/1096389462.db2.gz MBKBKMCFEKDNPA-NUJGCVRESA-N 2 0 346.519 2.351 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cnc(C)s1)C(C)(C)C)[NH+](C)C ZINC001442155412 1096410475 /nfs/dbraw/zinc/41/04/75/1096410475.db2.gz SDCKGBXDPYXPQA-HUUCEWRRSA-N 2 0 340.537 2.412 10 0 EEAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001442241519 1096542413 /nfs/dbraw/zinc/54/24/13/1096542413.db2.gz IDWSLOKRRRWMFI-VQCLRJIVSA-N 2 0 345.422 2.208 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001442333624 1096655362 /nfs/dbraw/zinc/65/53/62/1096655362.db2.gz HJZCYKCNWTXFGO-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442382481 1096705212 /nfs/dbraw/zinc/70/52/12/1096705212.db2.gz UDZIVRFLNZTQPK-IAGOWNOFSA-N 2 0 335.879 2.470 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C2CCC2)c1 ZINC001442412862 1096734416 /nfs/dbraw/zinc/73/44/16/1096734416.db2.gz KTFMYEJDODXFLS-HNNXBMFYSA-N 2 0 333.476 2.289 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC001442898965 1097299534 /nfs/dbraw/zinc/29/95/34/1097299534.db2.gz BUZPREGETBQNCS-OAHLLOKOSA-N 2 0 344.434 2.346 10 0 EEAERP CN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001443081665 1097495353 /nfs/dbraw/zinc/49/53/53/1097495353.db2.gz UMXUUARDXVXLDU-RTBURBONSA-N 2 0 345.462 2.203 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC001443676557 1098179641 /nfs/dbraw/zinc/17/96/41/1098179641.db2.gz GLJYLXLWZSSUJR-IBGZPJMESA-N 2 0 329.488 2.491 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001444314170 1098873746 /nfs/dbraw/zinc/87/37/46/1098873746.db2.gz RHHDVBFQUJFSTM-AEGPPILISA-N 2 0 331.451 2.104 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC1CC(F)(F)C1 ZINC001479815195 1099085255 /nfs/dbraw/zinc/08/52/55/1099085255.db2.gz AXUXMLZARRAKDF-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001479914721 1099318191 /nfs/dbraw/zinc/31/81/91/1099318191.db2.gz PTZDEYWXTNENTK-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CCCC2)o1 ZINC001444540729 1099320899 /nfs/dbraw/zinc/32/08/99/1099320899.db2.gz ZSTQRTMTPNOKCQ-GASCZTMLSA-N 2 0 348.491 2.374 10 0 EEAERP COc1ccc(Cl)cc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444669535 1099509660 /nfs/dbraw/zinc/50/96/60/1099509660.db2.gz QLNBPHMSSZUPLL-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCCCF)C1 ZINC001480257158 1099919472 /nfs/dbraw/zinc/91/94/72/1099919472.db2.gz KBGZIXGPLKKHGY-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)C1(C(=O)NC2CCC([NH2+]Cc3cncc(F)c3)CC2)CCC1 ZINC001480403547 1100216712 /nfs/dbraw/zinc/21/67/12/1100216712.db2.gz QVRQWLJVMCXEDB-UHFFFAOYSA-N 2 0 348.466 2.222 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)C12CC[NH+](CC1)C2 ZINC001445070978 1100275242 /nfs/dbraw/zinc/27/52/42/1100275242.db2.gz KGZREQBEKOMJQU-GOSISDBHSA-N 2 0 327.472 2.160 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001445103953 1100337528 /nfs/dbraw/zinc/33/75/28/1100337528.db2.gz DDACFKFZAKWJGD-SJORKVTESA-N 2 0 348.491 2.234 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001480558647 1100400063 /nfs/dbraw/zinc/40/00/63/1100400063.db2.gz DHCPFTVXNVRVCR-CYBMUJFWSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001446414764 1100823723 /nfs/dbraw/zinc/82/37/23/1100823723.db2.gz CIZVKHAULOLIQE-DZGCQCFKSA-N 2 0 338.521 2.261 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001446478870 1100907105 /nfs/dbraw/zinc/90/71/05/1100907105.db2.gz UCBUKJQEMKTQFR-GOSISDBHSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1cc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CCCCC2)no1 ZINC001496327940 1100924040 /nfs/dbraw/zinc/92/40/40/1100924040.db2.gz WMGHJKZJVGLQTQ-AEFFLSMTSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]C[C@H]1CC(C)(C)CO1)C1CC1 ZINC001495303954 1101005193 /nfs/dbraw/zinc/00/51/93/1101005193.db2.gz SCLXUKQHHXRSQK-VQIMIIECSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)co1 ZINC001496451739 1101044268 /nfs/dbraw/zinc/04/42/68/1101044268.db2.gz YDQJIWBYMVEGPK-GOEBONIOSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001496465074 1101056655 /nfs/dbraw/zinc/05/66/55/1101056655.db2.gz WWMXOSPFPBDZIZ-PKOBYXMFSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001495430025 1101148109 /nfs/dbraw/zinc/14/81/09/1101148109.db2.gz DHSMTSCXBYEZTR-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncccc1C[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001495496030 1101205808 /nfs/dbraw/zinc/20/58/08/1101205808.db2.gz WIEXBTWPRPIOFE-UHFFFAOYSA-N 2 0 340.471 2.248 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C)[NH+](C)C ZINC001496627281 1101230752 /nfs/dbraw/zinc/23/07/52/1101230752.db2.gz KRRZRWCLWZUOCW-HUUCEWRRSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001495681846 1101427189 /nfs/dbraw/zinc/42/71/89/1101427189.db2.gz IWRPGJYTJSCGQN-HNAYVOBHSA-N 2 0 346.519 2.415 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC(F)(F)F)C3)CC1 ZINC001446925548 1101604762 /nfs/dbraw/zinc/60/47/62/1101604762.db2.gz LTRNMGAMZMVMEJ-IHRRRGAJSA-N 2 0 347.425 2.250 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001446942455 1101631317 /nfs/dbraw/zinc/63/13/17/1101631317.db2.gz LIJIYASPJGYYLR-WBVHZDCISA-N 2 0 335.467 2.493 10 0 EEAERP CCOCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001495923075 1101767906 /nfs/dbraw/zinc/76/79/06/1101767906.db2.gz BBWPKQQRWLXVLA-UHFFFAOYSA-N 2 0 344.459 2.311 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001447122389 1102028735 /nfs/dbraw/zinc/02/87/35/1102028735.db2.gz BHCCRZIFCJCZJU-ARFHVFGLSA-N 2 0 325.472 2.142 10 0 EEAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001496191143 1102195599 /nfs/dbraw/zinc/19/55/99/1102195599.db2.gz GGGKYNMILYVFFY-MRXNPFEDSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC001497254164 1102198616 /nfs/dbraw/zinc/19/86/16/1102198616.db2.gz IRTNKJWQAQKBAX-SNPRPXQTSA-N 2 0 338.521 2.166 10 0 EEAERP CC1(C)CO[C@H](C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)C1 ZINC001447236738 1102257878 /nfs/dbraw/zinc/25/78/78/1102257878.db2.gz XKWWYLSYNIILSO-INIZCTEOSA-N 2 0 349.519 2.058 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001447249314 1102293563 /nfs/dbraw/zinc/29/35/63/1102293563.db2.gz DZJAHUHEDRAVPI-UHFFFAOYSA-N 2 0 348.466 2.225 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCCC3)CCC2)o1 ZINC001447265758 1102338642 /nfs/dbraw/zinc/33/86/42/1102338642.db2.gz IRHBKMKOPCVMOG-UHFFFAOYSA-N 2 0 348.491 2.378 10 0 EEAERP CN(CCC[N@H+](C)CC[C@H]1CCCO1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001447348140 1102498444 /nfs/dbraw/zinc/49/84/44/1102498444.db2.gz BIYVKRWAQIRZRP-QGZVFWFLSA-N 2 0 339.524 2.210 10 0 EEAERP COC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001447352875 1102507631 /nfs/dbraw/zinc/50/76/31/1102507631.db2.gz BQAHAZCJXVSEDA-YJBOKZPZSA-N 2 0 345.503 2.014 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497453454 1102511612 /nfs/dbraw/zinc/51/16/12/1102511612.db2.gz CYRGTPQQQMQGNP-HNNXBMFYSA-N 2 0 335.467 2.414 10 0 EEAERP CC[C@@H](C[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)OC ZINC001447409640 1102604443 /nfs/dbraw/zinc/60/44/43/1102604443.db2.gz ASWXLOOCJMJBOO-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001447429786 1102637781 /nfs/dbraw/zinc/63/77/81/1102637781.db2.gz KGBVYYAHJWKUEZ-VQIMIIECSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001497731162 1102981174 /nfs/dbraw/zinc/98/11/74/1102981174.db2.gz NJJFHSGQYUSZAR-PHWHVTFISA-N 2 0 329.488 2.407 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001493898886 1103075327 /nfs/dbraw/zinc/07/53/27/1103075327.db2.gz MEQQCNYRUHYFDD-HKUYNNGSSA-N 2 0 347.503 2.344 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)noc1CC ZINC001497825865 1103155404 /nfs/dbraw/zinc/15/54/04/1103155404.db2.gz YZPQARFRRZHSDD-CJNGLKHVSA-N 2 0 336.480 2.014 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497835052 1103168367 /nfs/dbraw/zinc/16/83/67/1103168367.db2.gz NYMONODSTGJSLD-QGZVFWFLSA-N 2 0 329.488 2.199 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001447785193 1103337788 /nfs/dbraw/zinc/33/77/88/1103337788.db2.gz VLCREUVBMPGIBP-RDJZCZTQSA-N 2 0 327.488 2.389 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001494077935 1103484292 /nfs/dbraw/zinc/48/42/92/1103484292.db2.gz DCSGDEMTJZEGPL-SJLPKXTDSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001447905291 1103563096 /nfs/dbraw/zinc/56/30/96/1103563096.db2.gz IACRDMRIWHXSGT-KBPBESRZSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001447905300 1103564161 /nfs/dbraw/zinc/56/41/61/1103564161.db2.gz IACRDMRIWHXSGT-UONOGXRCSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cnc([C@@H](C)[NH+](C)C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001494178817 1103651678 /nfs/dbraw/zinc/65/16/78/1103651678.db2.gz NHUYFIISXNZMQV-CVEARBPZSA-N 2 0 336.480 2.165 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494615123 1104198667 /nfs/dbraw/zinc/19/86/67/1104198667.db2.gz NHUBYBQUGMNNBQ-GOSISDBHSA-N 2 0 343.515 2.317 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC001448237427 1104228462 /nfs/dbraw/zinc/22/84/62/1104228462.db2.gz RZLHIHJTDSDZJZ-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494876907 1104487297 /nfs/dbraw/zinc/48/72/97/1104487297.db2.gz SCJWGANZHUGYSP-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001495058310 1104695648 /nfs/dbraw/zinc/69/56/48/1104695648.db2.gz NSRNLXTUACHTFB-QAPCUYQASA-N 2 0 349.523 2.099 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480597817 1106737518 /nfs/dbraw/zinc/73/75/18/1106737518.db2.gz VABREEYLBHKOSJ-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001480615852 1106774129 /nfs/dbraw/zinc/77/41/29/1106774129.db2.gz HYJUBGUHXWSNRM-KRWDZBQOSA-N 2 0 345.487 2.049 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCC[C@@H]2CCOC2)C1 ZINC001480738936 1107023328 /nfs/dbraw/zinc/02/33/28/1107023328.db2.gz LKUUPHQIACLLBU-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001493127796 1107553335 /nfs/dbraw/zinc/55/33/35/1107553335.db2.gz GPZDKGFFOXIGBP-GOSISDBHSA-N 2 0 344.503 2.121 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)C[NH+]1CCCC1 ZINC001498460341 1107574389 /nfs/dbraw/zinc/57/43/89/1107574389.db2.gz YQBCBVVVPKCLIG-OAHLLOKOSA-N 2 0 337.895 2.415 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001498549035 1107701547 /nfs/dbraw/zinc/70/15/47/1107701547.db2.gz BLKYGYKEWWPYPN-UKRRQHHQSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498567491 1107734612 /nfs/dbraw/zinc/73/46/12/1107734612.db2.gz GAZUDCFYCBWBAI-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cnoc2C)C1)[NH+](CC)CC ZINC001493235718 1107741369 /nfs/dbraw/zinc/74/13/69/1107741369.db2.gz HNYVPRODXIUJPA-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001493254866 1107780819 /nfs/dbraw/zinc/78/08/19/1107780819.db2.gz KMJJEAGXQLLCSO-HZPDHXFCSA-N 2 0 335.517 2.071 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001498611853 1107807994 /nfs/dbraw/zinc/80/79/94/1107807994.db2.gz CFIXXACGJJWAKG-TWVNLXSWSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccncc2Cl)C1 ZINC001498613497 1107809548 /nfs/dbraw/zinc/80/95/48/1107809548.db2.gz SAWNSSANGKTNDA-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H](C)c1cnccn1 ZINC001493291972 1107867620 /nfs/dbraw/zinc/86/76/20/1107867620.db2.gz VYIXCNOHSKIZPS-XYJFISCASA-N 2 0 347.507 2.096 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2sccc2Cl)C2CC2)C1 ZINC001498864929 1108242849 /nfs/dbraw/zinc/24/28/49/1108242849.db2.gz UUADZLBAQIUHCR-GXTWGEPZSA-N 2 0 341.908 2.338 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001493550707 1108300046 /nfs/dbraw/zinc/30/00/46/1108300046.db2.gz IMZCRHNJULLVFF-ZWKOTPCHSA-N 2 0 335.467 2.434 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccnc1)c1ccccc1 ZINC001493759251 1108634553 /nfs/dbraw/zinc/63/45/53/1108634553.db2.gz HIVHMGWERFKSQV-LJQANCHMSA-N 2 0 340.471 2.323 10 0 EEAERP C[C@@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)c1cc(F)ccc1F ZINC001493764804 1108641028 /nfs/dbraw/zinc/64/10/28/1108641028.db2.gz XFVVNHMQJYEZKZ-CYBMUJFWSA-N 2 0 337.414 2.170 10 0 EEAERP C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001456161641 1109107730 /nfs/dbraw/zinc/10/77/30/1109107730.db2.gz YUFOVHUKRLKBLA-WMZOPIPTSA-N 2 0 347.478 2.494 10 0 EEAERP COCc1cc(NCCN(C)CCC[NH+](C)C)nc(C(C)(C)C)n1 ZINC001458474415 1109878298 /nfs/dbraw/zinc/87/82/98/1109878298.db2.gz ANADOAOQJNTOJO-UHFFFAOYSA-N 2 0 337.512 2.216 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)Cc1ccccc1 ZINC001463835901 1110381300 /nfs/dbraw/zinc/38/13/00/1110381300.db2.gz JPCWLVMMNUDMDV-MOPGFXCFSA-N 2 0 349.494 2.490 10 0 EEAERP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001473380377 1110574702 /nfs/dbraw/zinc/57/47/02/1110574702.db2.gz QQFREVNQIFRRJG-YQVWRLOYSA-N 2 0 340.508 2.277 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479369024 1110687441 /nfs/dbraw/zinc/68/74/41/1110687441.db2.gz MJQPTSBMESNVSU-WKILWMFISA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ccccc1CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001499183756 1112167017 /nfs/dbraw/zinc/16/70/17/1112167017.db2.gz HSCZTSLDIQYEIM-SFHVURJKSA-N 2 0 329.488 2.260 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC[C@@H]3CCCC3(F)F)CC2)C1 ZINC001499351468 1112245710 /nfs/dbraw/zinc/24/57/10/1112245710.db2.gz BCYZUASCMPHRJG-CABCVRRESA-N 2 0 343.462 2.392 10 0 EEAERP COCCC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001500428334 1112824016 /nfs/dbraw/zinc/82/40/16/1112824016.db2.gz AQYXJINUVMDPCV-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500520087 1112911639 /nfs/dbraw/zinc/91/16/39/1112911639.db2.gz YNAQCUJMJYZWJW-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C)no2)C1 ZINC001501574576 1113388015 /nfs/dbraw/zinc/38/80/15/1113388015.db2.gz PJDKYUPHNPGGFK-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501741750 1113458162 /nfs/dbraw/zinc/45/81/62/1113458162.db2.gz CCWDMSFJRISPCT-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001505411641 1113945444 /nfs/dbraw/zinc/94/54/44/1113945444.db2.gz XJMAPNCPRIWHFW-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456572 1113990797 /nfs/dbraw/zinc/99/07/97/1113990797.db2.gz YIBXQTOQEFYGNG-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC1CC(C[NH2+]CCc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001505497089 1114024572 /nfs/dbraw/zinc/02/45/72/1114024572.db2.gz AALMBNBVVYBTLO-UUKMXZOPSA-N 2 0 341.499 2.055 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)co1 ZINC001506932026 1114983533 /nfs/dbraw/zinc/98/35/33/1114983533.db2.gz FLPQCUKHWBYLJH-CQSZACIVSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506951933 1115000451 /nfs/dbraw/zinc/00/04/51/1115000451.db2.gz STHAPLGKEISKEW-DOTOQJQBSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507299717 1115181111 /nfs/dbraw/zinc/18/11/11/1115181111.db2.gz WWISCTDFJRBYMO-MAUKXSAKSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507318087 1115189478 /nfs/dbraw/zinc/18/94/78/1115189478.db2.gz HVAAPJFQCGEQGX-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001507426556 1115262762 /nfs/dbraw/zinc/26/27/62/1115262762.db2.gz GTWKBLLKFMGZQM-OLZOCXBDSA-N 2 0 334.291 2.276 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCC(F)(F)F)CC1)[NH+](C)C ZINC001508080349 1115413892 /nfs/dbraw/zinc/41/38/92/1115413892.db2.gz BTDHNGISXZEPAP-JSGCOSHPSA-N 2 0 337.430 2.496 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CCC2)C1 ZINC001508087619 1115416448 /nfs/dbraw/zinc/41/64/48/1115416448.db2.gz QKZZVPJEXKNZMF-CABCVRRESA-N 2 0 349.441 2.496 10 0 EEAERP CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001509226292 1115762550 /nfs/dbraw/zinc/76/25/50/1115762550.db2.gz JNUNBYPUPIJLKF-IAGOWNOFSA-N 2 0 348.539 2.101 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567912493 1124174094 /nfs/dbraw/zinc/17/40/94/1124174094.db2.gz XOMAPMXHQBJLAX-FGTMMUONSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001568058323 1124264267 /nfs/dbraw/zinc/26/42/67/1124264267.db2.gz QMDBSNNIMJWWLM-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cscn2)C1 ZINC001568073010 1124278282 /nfs/dbraw/zinc/27/82/82/1124278282.db2.gz SMUROGVARFYWTJ-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001568091677 1124295427 /nfs/dbraw/zinc/29/54/27/1124295427.db2.gz HWWXACKGMZZGJW-KRWDZBQOSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2conc2C)CC1)[NH+](C)C ZINC001568094235 1124298108 /nfs/dbraw/zinc/29/81/08/1124298108.db2.gz VQHSYGKQJAJRMA-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001568238195 1124379868 /nfs/dbraw/zinc/37/98/68/1124379868.db2.gz YBTPCYNXGAGGEY-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C[NH2+]CCCF ZINC001568428955 1124496645 /nfs/dbraw/zinc/49/66/45/1124496645.db2.gz KSIUTFZWXAEYRO-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001568515447 1124577776 /nfs/dbraw/zinc/57/77/76/1124577776.db2.gz LEWOUZHRWQPVCN-IRXDYDNUSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC001568684564 1124695725 /nfs/dbraw/zinc/69/57/25/1124695725.db2.gz GCGORLKYBXHAQB-HOCLYGCPSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568684647 1124696031 /nfs/dbraw/zinc/69/60/31/1124696031.db2.gz HYSKAJRWCVIHDQ-GJZGRUSLSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569090292 1125091637 /nfs/dbraw/zinc/09/16/37/1125091637.db2.gz CWPUBSKFCAOKGF-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)s1 ZINC001569239860 1125186790 /nfs/dbraw/zinc/18/67/90/1125186790.db2.gz LLXLJJQRPAPJOS-UHFFFAOYSA-N 2 0 340.537 2.368 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc2c[nH]cn2)sc1C ZINC001569247344 1125192516 /nfs/dbraw/zinc/19/25/16/1125192516.db2.gz MHZHTWRRANOAJD-LBPRGKRZSA-N 2 0 349.504 2.300 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001569258322 1125200461 /nfs/dbraw/zinc/20/04/61/1125200461.db2.gz UCPPUMZTAZBCRS-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001565900767 1125452632 /nfs/dbraw/zinc/45/26/32/1125452632.db2.gz YAJJZHOHTOFBJD-RCCFBDPRSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416169812 239097194 /nfs/dbraw/zinc/09/71/94/239097194.db2.gz HFSVTKIBCBZIDS-RTBURBONSA-N 2 0 329.488 2.424 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416169809 239097440 /nfs/dbraw/zinc/09/74/40/239097440.db2.gz HFSVTKIBCBZIDS-MOPGFXCFSA-N 2 0 329.488 2.424 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000422710268 240189715 /nfs/dbraw/zinc/18/97/15/240189715.db2.gz FNZOUKYLDNNWGS-GJZGRUSLSA-N 2 0 333.476 2.405 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2cccnc2)C2CC2)CC[NH2+]CC1 ZINC000423009311 240326915 /nfs/dbraw/zinc/32/69/15/240326915.db2.gz COLDIQPXGWCORZ-WMLDXEAASA-N 2 0 331.460 2.444 10 0 EEAERP Fc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051085 240343024 /nfs/dbraw/zinc/34/30/24/240343024.db2.gz ZVDJPTCWAZYWNR-DAXOMENPSA-N 2 0 328.378 2.393 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426604457 241316142 /nfs/dbraw/zinc/31/61/42/241316142.db2.gz UHZJJYQKGXKZNG-OAHLLOKOSA-N 2 0 348.482 2.479 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1nc(-c2cccs2)no1 ZINC000069493160 203009125 /nfs/dbraw/zinc/00/91/25/203009125.db2.gz ONJZUQXJEGIFEZ-LBPRGKRZSA-N 2 0 336.461 2.153 10 0 EEAERP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Br)c2)C1 ZINC000070170522 203074653 /nfs/dbraw/zinc/07/46/53/203074653.db2.gz VWBWAJZOJBUPHA-LBPRGKRZSA-N 2 0 340.265 2.448 10 0 EEAERP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC[N@H+](C)CC1 ZINC000043020191 204198729 /nfs/dbraw/zinc/19/87/29/204198729.db2.gz HIUILIZQNJLJAY-SWLSCSKDSA-N 2 0 326.282 2.475 10 0 EEAERP CN(c1ccccc1C[NH2+]C[C@@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000133323496 205362866 /nfs/dbraw/zinc/36/28/66/205362866.db2.gz MRUXOZYUYWBHEP-IBGZPJMESA-N 2 0 330.520 2.401 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494894130 247032485 /nfs/dbraw/zinc/03/24/85/247032485.db2.gz RNIZBOBMXFLTOF-PKOBYXMFSA-N 2 0 327.472 2.053 10 0 EEAERP COCC[N@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268829467 252278091 /nfs/dbraw/zinc/27/80/91/252278091.db2.gz QIXOVZWRJSQUHU-QUCCMNQESA-N 2 0 333.520 2.455 10 0 EEAERP COc1cccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000273178038 256273562 /nfs/dbraw/zinc/27/35/62/256273562.db2.gz DKPDIAQFYXYOKI-SFHVURJKSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)([NH+](C)C)C1 ZINC000245662460 296454350 /nfs/dbraw/zinc/45/43/50/296454350.db2.gz DJFBTMCMQZCFQN-ZHALLVOQSA-N 2 0 334.508 2.153 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCC[NH+](CC)C2)c1 ZINC000064226437 292153654 /nfs/dbraw/zinc/15/36/54/292153654.db2.gz BRKNCCLZPMLHSI-GOSISDBHSA-N 2 0 332.492 2.422 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000067708896 292160744 /nfs/dbraw/zinc/16/07/44/292160744.db2.gz GVJGXRJZHBDOLG-CVEARBPZSA-N 2 0 336.480 2.446 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000170829731 289312598 /nfs/dbraw/zinc/31/25/98/289312598.db2.gz SUSWMPCOESCJHC-MSOLQXFVSA-N 2 0 330.476 2.169 10 0 EEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262660683 152302188 /nfs/dbraw/zinc/30/21/88/152302188.db2.gz XMCHEKPBNXZWGF-KBXCAEBGSA-N 2 0 333.476 2.203 10 0 EEAERP COc1ccccc1NC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000122871653 292276629 /nfs/dbraw/zinc/27/66/29/292276629.db2.gz IGVKUYSEGRSGIR-HOCLYGCPSA-N 2 0 328.416 2.413 10 0 EEAERP C[C@@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000262401195 160454098 /nfs/dbraw/zinc/45/40/98/160454098.db2.gz PNUAHDQEVRPQLL-BZUAXINKSA-N 2 0 329.488 2.115 10 0 EEAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)C2 ZINC000192906782 160176371 /nfs/dbraw/zinc/17/63/71/160176371.db2.gz AWZXNSBINQBSPC-YQQQUEKLSA-N 3 0 334.552 2.152 10 0 EEAERP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706479 160249888 /nfs/dbraw/zinc/24/98/88/160249888.db2.gz MPAWOJQYDKOIMT-WLRLJWMZSA-N 2 0 343.515 2.492 10 0 EEAERP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247148098 160311915 /nfs/dbraw/zinc/31/19/15/160311915.db2.gz LKDOUAYVWIUUQK-JKSUJKDBSA-N 2 0 333.476 2.038 10 0 EEAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(C)c1 ZINC000247211140 160315525 /nfs/dbraw/zinc/31/55/25/160315525.db2.gz XUEHWPVYUMEWOP-ZWKOTPCHSA-N 2 0 329.444 2.404 10 0 EEAERP OCCOCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248402871 160343853 /nfs/dbraw/zinc/34/38/53/160343853.db2.gz NYDZOUASVQWPJK-XUVXKRRUSA-N 2 0 332.488 2.276 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)cc1OC ZINC000343598098 161150346 /nfs/dbraw/zinc/15/03/46/161150346.db2.gz UQOZCLWWLCLCDC-WMZOPIPTSA-N 2 0 349.519 2.456 10 0 EEAERP CCc1nc(CN2CCC(C[NH2+][C@H]3CN(C)C[C@@H]3C)CC2)cs1 ZINC000344360107 161220309 /nfs/dbraw/zinc/22/03/09/161220309.db2.gz PFCIIOXVHPLUAU-YOEHRIQHSA-N 3 0 336.549 2.457 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccnc1 ZINC000345196983 161280921 /nfs/dbraw/zinc/28/09/21/161280921.db2.gz AZISDTDHFLVYPO-AEFFLSMTSA-N 2 0 332.492 2.060 10 0 EEAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000354952094 163030515 /nfs/dbraw/zinc/03/05/15/163030515.db2.gz PTNPFSKURLVWFC-ROUUACIJSA-N 2 0 347.478 2.448 10 0 EEAERP CC(C)c1ccc(CCNC(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000367851799 166011206 /nfs/dbraw/zinc/01/12/06/166011206.db2.gz WPOHBAOTGAXVCK-NRFANRHFSA-N 2 0 343.515 2.496 10 0 EEAERP CN(C)c1ccncc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000359795581 164173563 /nfs/dbraw/zinc/17/35/63/164173563.db2.gz IYFYVPDPQKWKIX-AWEZNQCLSA-N 2 0 335.398 2.367 10 0 EEAERP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000360875156 164394456 /nfs/dbraw/zinc/39/44/56/164394456.db2.gz WSWXHMWOAKSVLW-RZQVSUQPSA-N 2 0 344.499 2.417 10 0 EEAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCC[NH+](C)C1CC1 ZINC000369991438 166371105 /nfs/dbraw/zinc/37/11/05/166371105.db2.gz QURKOZXBIFLGAA-QGZVFWFLSA-N 2 0 344.503 2.387 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000376629484 167363902 /nfs/dbraw/zinc/36/39/02/167363902.db2.gz XCPJJPPNRABDJF-ROUUACIJSA-N 2 0 329.488 2.417 10 0 EEAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[NH+](C)C ZINC000288275892 275041733 /nfs/dbraw/zinc/04/17/33/275041733.db2.gz HCHJCQLFYXMMHI-DLBZAZTESA-N 2 0 345.487 2.326 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422882982 292805705 /nfs/dbraw/zinc/80/57/05/292805705.db2.gz PVLIWJQOPQQWRN-CXAGYDPISA-N 2 0 334.464 2.375 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297885052 294365696 /nfs/dbraw/zinc/36/56/96/294365696.db2.gz RHCLGCWJCZYDII-SFHVURJKSA-N 2 0 349.438 2.408 10 0 EEAERP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1O2 ZINC000333737507 312190096 /nfs/dbraw/zinc/19/00/96/312190096.db2.gz VFBIMEKEAHSNMA-LPHOPBHVSA-N 2 0 343.471 2.233 10 0 EEAERP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414938366 313112339 /nfs/dbraw/zinc/11/23/39/313112339.db2.gz IMDLYDNNPMWHKG-HDMKZQKVSA-N 2 0 343.471 2.429 10 0 EEAERP COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000416816427 313324133 /nfs/dbraw/zinc/32/41/33/313324133.db2.gz PBNSZFPYQOCJGU-VKJFTORMSA-N 2 0 348.491 2.257 10 0 EEAERP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416840895 313331680 /nfs/dbraw/zinc/33/16/80/313331680.db2.gz LKYDDRKBWMLFJE-WFFDWFOESA-N 2 0 348.466 2.353 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCCCC1 ZINC000416845592 313333711 /nfs/dbraw/zinc/33/37/11/313333711.db2.gz FUMGYQZIUYPMDC-GOSISDBHSA-N 2 0 336.524 2.426 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000416883989 313348019 /nfs/dbraw/zinc/34/80/19/313348019.db2.gz CJQQRGCSNMQMOM-YJBOKZPZSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000418586113 313853565 /nfs/dbraw/zinc/85/35/65/313853565.db2.gz ZJMRCENHAVONGR-PKOBYXMFSA-N 2 0 346.519 2.190 10 0 EEAERP CNC(=O)C(C)(C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449199779 315431192 /nfs/dbraw/zinc/43/11/92/315431192.db2.gz GCDRLLAPEALQGW-INIZCTEOSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1)N1CC[NH+](C)CC1 ZINC000527859328 317276257 /nfs/dbraw/zinc/27/62/57/317276257.db2.gz PTZJIPYRUWJEIM-SJORKVTESA-N 2 0 341.503 2.374 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000529384438 317583984 /nfs/dbraw/zinc/58/39/84/317583984.db2.gz JDLHNFCOVXVCRG-BXUZGUMPSA-N 2 0 345.274 2.339 10 0 EEAERP CCN1CCc2nc(NC(=O)Cn3cnc4c3CCCC4)sc2C1 ZINC000537543560 318018888 /nfs/dbraw/zinc/01/88/88/318018888.db2.gz QQQHENPRDYMJQV-UHFFFAOYSA-N 2 0 345.472 2.235 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000541880584 318115334 /nfs/dbraw/zinc/11/53/34/318115334.db2.gz JCHUZLCHKWQLDZ-IBGZPJMESA-N 2 0 347.503 2.146 10 0 EEAERP CN(C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563727632 319040336 /nfs/dbraw/zinc/04/03/36/319040336.db2.gz WAFFXRWGAXNCHS-IEBWSBKVSA-N 2 0 327.472 2.204 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)n(C)n1 ZINC000565475085 319185706 /nfs/dbraw/zinc/18/57/06/319185706.db2.gz OHSMZRFGKDMSAP-WBVHZDCISA-N 2 0 342.491 2.210 10 0 EEAERP O=C(N[C@@H]1C[NH2+]CCC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000565950492 319229877 /nfs/dbraw/zinc/22/98/77/319229877.db2.gz GJTBZWDVGQDYNJ-MRXNPFEDSA-N 2 0 337.414 2.012 10 0 EEAERP Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2scnc2C2CC2)C1=O ZINC000567009152 319339443 /nfs/dbraw/zinc/33/94/43/319339443.db2.gz WPIUMXRGFPLUPY-CYBMUJFWSA-N 2 0 345.472 2.035 10 0 EEAERP COC1([C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCOCC1 ZINC000576623542 320189528 /nfs/dbraw/zinc/18/95/28/320189528.db2.gz OQZOXOADBXJCBY-OAHLLOKOSA-N 2 0 330.432 2.249 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000580831262 324137086 /nfs/dbraw/zinc/13/70/86/324137086.db2.gz LGSKGCWBSDODHR-AZUAARDMSA-N 2 0 337.467 2.163 10 0 EEAERP C[C@]1(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581933275 324344063 /nfs/dbraw/zinc/34/40/63/324344063.db2.gz GEWHVMGSWXXOON-WSTZPKSXSA-N 2 0 344.503 2.468 10 0 EEAERP CCOC(=O)COCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000351603857 465247833 /nfs/dbraw/zinc/24/78/33/465247833.db2.gz BIJXKHHDKYMFSY-IRXDYDNUSA-N 2 0 348.487 2.312 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NC3(C[NH+](C)C)CCC3)cc2)CC1 ZINC000351622777 465257033 /nfs/dbraw/zinc/25/70/33/465257033.db2.gz FESURNSXUNBUPP-UHFFFAOYSA-N 2 0 344.503 2.043 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358675045 465257326 /nfs/dbraw/zinc/25/73/26/465257326.db2.gz KBCIQZFUWHUKOU-LJQANCHMSA-N 2 0 344.503 2.111 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000339484895 465301205 /nfs/dbraw/zinc/30/12/05/465301205.db2.gz QYUWJILGBHYUHU-GOSISDBHSA-N 2 0 346.519 2.333 10 0 EEAERP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)c2)CC1 ZINC000568202878 468295493 /nfs/dbraw/zinc/29/54/93/468295493.db2.gz YTBDIGVNSCAWCD-QGZVFWFLSA-N 2 0 344.503 2.497 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000046281690 462667204 /nfs/dbraw/zinc/66/72/04/462667204.db2.gz VBTQBOUTGNCBQM-KRWDZBQOSA-N 2 0 344.503 2.218 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000066187215 462860348 /nfs/dbraw/zinc/86/03/48/462860348.db2.gz VMCZCWPPLTVSLI-AEFFLSMTSA-N 2 0 334.508 2.189 10 0 EEAERP C[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000132719673 462873717 /nfs/dbraw/zinc/87/37/17/462873717.db2.gz RWMWSDJXNHUVKX-IEBWSBKVSA-N 2 0 329.488 2.104 10 0 EEAERP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000095980653 463124248 /nfs/dbraw/zinc/12/42/48/463124248.db2.gz GWWPRTAQTSFSQU-LSBZLQRGSA-N 2 0 342.487 2.173 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000579562766 468376290 /nfs/dbraw/zinc/37/62/90/468376290.db2.gz AAYXBXGFGNIICT-OAHLLOKOSA-N 2 0 333.480 2.165 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000194131583 463796622 /nfs/dbraw/zinc/79/66/22/463796622.db2.gz DLBUVSYMABWEPO-AEFFLSMTSA-N 2 0 348.491 2.081 10 0 EEAERP C[NH+](C)Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000261706920 463834111 /nfs/dbraw/zinc/83/41/11/463834111.db2.gz PFUYSFIOYNAUMT-UHFFFAOYSA-N 2 0 339.505 2.078 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N(C)Cc1ccccc1 ZINC000261913234 463897495 /nfs/dbraw/zinc/89/74/95/463897495.db2.gz JFYKQSBHMGBFEZ-VBSBHUPXSA-N 2 0 331.504 2.254 10 0 EEAERP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261958299 463910620 /nfs/dbraw/zinc/91/06/20/463910620.db2.gz PENVMORMPHXHGN-QRVBRYPASA-N 2 0 344.503 2.319 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899166 463945348 /nfs/dbraw/zinc/94/53/48/463945348.db2.gz UYTQNIVYUZHVPB-LJQANCHMSA-N 2 0 342.487 2.272 10 0 EEAERP C[N@@H+]1CC[C@]2(CCN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)C1 ZINC000292262731 464178688 /nfs/dbraw/zinc/17/86/88/464178688.db2.gz YSNXJHVPFITQJR-SFTDATJTSA-N 2 0 343.515 2.305 10 0 EEAERP Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc4c[nH+]cn4c3)c2cc1C ZINC000579701490 468397634 /nfs/dbraw/zinc/39/76/34/468397634.db2.gz HKUTZUPCJGJVGG-SFHVURJKSA-N 2 0 349.438 2.452 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000175772277 464621989 /nfs/dbraw/zinc/62/19/89/464621989.db2.gz CBYDPVWRHGLJGP-GOSISDBHSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[NH+](C)C1CC1 ZINC000248574364 464765954 /nfs/dbraw/zinc/76/59/54/464765954.db2.gz OHJUCQDQDIPYSG-VQIMIIECSA-N 2 0 344.503 2.243 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000252736388 464989205 /nfs/dbraw/zinc/98/92/05/464989205.db2.gz URHFLPNPDGSGNF-OAGGEKHMSA-N 2 0 325.403 2.166 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000348207612 465490021 /nfs/dbraw/zinc/49/00/21/465490021.db2.gz PVDROVRYODYCGU-APWZRJJASA-N 2 0 343.471 2.449 10 0 EEAERP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCOc3ccccc32)CCN1C ZINC000348276979 465527706 /nfs/dbraw/zinc/52/77/06/465527706.db2.gz QPIMHEZSKDZBGD-HOTGVXAUSA-N 2 0 331.460 2.217 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000366266380 465622384 /nfs/dbraw/zinc/62/23/84/465622384.db2.gz HFYDKHHFHVCCPD-AZUAARDMSA-N 2 0 331.504 2.209 10 0 EEAERP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000569150108 468448238 /nfs/dbraw/zinc/44/82/38/468448238.db2.gz DPEHAKVJFXPPHD-UHFFFAOYSA-N 2 0 340.471 2.125 10 0 EEAERP CC(C)[C@H](CNC(=O)COC1CCC([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000580069027 468461645 /nfs/dbraw/zinc/46/16/45/468461645.db2.gz FSSDMNQYMRZNRJ-ABHNRTSZSA-N 2 0 339.524 2.146 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000353671639 466055161 /nfs/dbraw/zinc/05/51/61/466055161.db2.gz LGMLESIQLMPANF-WOZUAGRISA-N 3 0 343.515 2.216 10 0 EEAERP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccco1 ZINC000357549257 466124706 /nfs/dbraw/zinc/12/47/06/466124706.db2.gz UNGWIMWVJAPISL-ZBFHGGJFSA-N 2 0 334.464 2.198 10 0 EEAERP CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349704985 466199374 /nfs/dbraw/zinc/19/93/74/466199374.db2.gz XGRVAIVFVMKLCL-PKOBYXMFSA-N 2 0 344.503 2.037 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000357843396 466259167 /nfs/dbraw/zinc/25/91/67/466259167.db2.gz BZPSKXOWHLEGMS-JOQOYGCGSA-N 2 0 326.431 2.436 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367613958 466449157 /nfs/dbraw/zinc/44/91/57/466449157.db2.gz GOBUVJUDIBWGJT-NRSFXHEJSA-N 2 0 334.460 2.200 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000373060948 466679349 /nfs/dbraw/zinc/67/93/49/466679349.db2.gz WROZVASSTAINHY-QGZVFWFLSA-N 2 0 347.507 2.431 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000422742651 466681343 /nfs/dbraw/zinc/68/13/43/466681343.db2.gz GSBOYGNENDGQHB-YTQUADARSA-N 3 0 335.467 2.134 10 0 EEAERP C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423251113 466703506 /nfs/dbraw/zinc/70/35/06/466703506.db2.gz WBLNXTSGVKKQME-KDOFPFPSSA-N 2 0 347.484 2.288 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000645183633 471167888 /nfs/dbraw/zinc/16/78/88/471167888.db2.gz KQVCONAVRVKWBI-CTWPCTMYSA-N 2 0 347.503 2.472 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417109610 466782281 /nfs/dbraw/zinc/78/22/81/466782281.db2.gz KRIZFEGEFMBWIR-HKUYNNGSSA-N 2 0 342.487 2.187 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)CC1 ZINC000417922074 466987085 /nfs/dbraw/zinc/98/70/85/466987085.db2.gz ILJWZYYAQGVCTG-RGVPCPSESA-N 2 0 348.535 2.423 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417974472 467006604 /nfs/dbraw/zinc/00/66/04/467006604.db2.gz DLROZCOBLHECRW-XLIONFOSSA-N 2 0 344.503 2.292 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417987976 467012623 /nfs/dbraw/zinc/01/26/23/467012623.db2.gz GSZCQIYFWCSYHU-LAQRGFTBSA-N 2 0 330.476 2.028 10 0 EEAERP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC1=O ZINC000374153007 467014211 /nfs/dbraw/zinc/01/42/11/467014211.db2.gz DMXMKQZQDUPTQM-AYOQOUSVSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1OCC(=O)N(C)C)CC[NH2+]CC2 ZINC000424383884 467037316 /nfs/dbraw/zinc/03/73/16/467037316.db2.gz URHJXSUSYZSMFP-MRXNPFEDSA-N 2 0 345.487 2.118 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418107653 467047223 /nfs/dbraw/zinc/04/72/23/467047223.db2.gz PNDZAPROFBFDAK-GBESFXJTSA-N 2 0 342.487 2.044 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418140054 467057785 /nfs/dbraw/zinc/05/77/85/467057785.db2.gz KOFHYSXQTWYPJI-MNEFBYGVSA-N 2 0 344.503 2.194 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418176417 467066492 /nfs/dbraw/zinc/06/64/92/467066492.db2.gz GXMKYAGIYARMFZ-ILZDJORESA-N 2 0 344.503 2.463 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418490889 467118552 /nfs/dbraw/zinc/11/85/52/467118552.db2.gz NOQWPIXAEBCMJS-BXEVVDMOSA-N 2 0 330.476 2.473 10 0 EEAERP C[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000382760523 467379750 /nfs/dbraw/zinc/37/97/50/467379750.db2.gz JESPXNXLDSDLJU-PKOBYXMFSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000397585588 467443900 /nfs/dbraw/zinc/44/39/00/467443900.db2.gz IWXALPVRJMBHFF-IEBWSBKVSA-N 2 0 343.515 2.228 10 0 EEAERP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)n(-c2ccccc2)n1 ZINC000415048194 467475045 /nfs/dbraw/zinc/47/50/45/467475045.db2.gz FVUUMFVENJGGNV-UHFFFAOYSA-N 2 0 339.487 2.178 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(C)CCC(=O)N2)CC1 ZINC000453424197 467487956 /nfs/dbraw/zinc/48/79/56/467487956.db2.gz NMIRGBDGVMPWEI-OXQOHEQNSA-N 2 0 329.488 2.340 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C[C@H](C)[N@H+]1C ZINC000454715180 467611506 /nfs/dbraw/zinc/61/15/06/467611506.db2.gz DFEZJGTVFPXQLX-MVJTYMMSSA-N 2 0 330.476 2.166 10 0 EEAERP c1cc2c(cc1C[NH2+]CCCC[NH+]1CCOCC1)OCCCCO2 ZINC000449082855 467616858 /nfs/dbraw/zinc/61/68/58/467616858.db2.gz QHFDACWQWBLESX-UHFFFAOYSA-N 2 0 334.460 2.440 10 0 EEAERP CO[C@]1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOC1 ZINC000449251279 467625955 /nfs/dbraw/zinc/62/59/55/467625955.db2.gz PPNCLEDEGQXXSZ-XLIONFOSSA-N 2 0 332.488 2.477 10 0 EEAERP O[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)CC1(O)CCC1 ZINC000528502997 467689602 /nfs/dbraw/zinc/68/96/02/467689602.db2.gz JLGTWRNHZGWJON-INIZCTEOSA-N 2 0 341.455 2.023 10 0 EEAERP CCc1cc(CCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)on1 ZINC000450640946 467885023 /nfs/dbraw/zinc/88/50/23/467885023.db2.gz HKJKHXPKPZYUQD-APWZRJJASA-N 2 0 334.508 2.127 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493978902 468012754 /nfs/dbraw/zinc/01/27/54/468012754.db2.gz VJDCZBRVQNVFEF-UHFFFAOYSA-N 2 0 331.504 2.351 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H]1c1ccccc1 ZINC000516857039 468050123 /nfs/dbraw/zinc/05/01/23/468050123.db2.gz LYCOMJBOSJHTOY-BZSNNMDCSA-N 2 0 330.476 2.249 10 0 EEAERP NC(=O)C1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000589842384 468188366 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2.493 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000573230753 469088454 /nfs/dbraw/zinc/08/84/54/469088454.db2.gz ASLKUDOYTSMXQM-QGZVFWFLSA-N 2 0 344.503 2.104 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000563150265 469183153 /nfs/dbraw/zinc/18/31/53/469183153.db2.gz NNEQBHJBZBKNDK-IBGZPJMESA-N 2 0 344.459 2.027 10 0 EEAERP C[C@]1(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000612863804 469567118 /nfs/dbraw/zinc/56/71/18/469567118.db2.gz YUWZTZUYNODZMA-IBGZPJMESA-N 2 0 330.476 2.224 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000617014057 469572911 /nfs/dbraw/zinc/57/29/11/469572911.db2.gz FFAPCHVUPHHAER-ROUUACIJSA-N 2 0 344.503 2.283 10 0 EEAERP CCNC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623363247 469634707 /nfs/dbraw/zinc/63/47/07/469634707.db2.gz IZVLBOWZRFCXIW-MRXNPFEDSA-N 2 0 333.476 2.164 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1(C)C ZINC000623359864 469635400 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RAFUUNGUCPEYRW-LZQZEXGQSA-N 2 0 344.503 2.337 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000627168434 469831648 /nfs/dbraw/zinc/83/16/48/469831648.db2.gz UNPAEUSJCKXYAY-XWTMOSNGSA-N 2 0 336.524 2.423 10 0 EEAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000624133371 469850836 /nfs/dbraw/zinc/85/08/36/469850836.db2.gz MULZIGAAPWLCLS-FKSLSLAPSA-N 2 0 327.472 2.283 10 0 EEAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627236290 469852188 /nfs/dbraw/zinc/85/21/88/469852188.db2.gz RRGLCZFASCNSOL-GOEBONIOSA-N 2 0 338.521 2.352 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000627240567 469854291 /nfs/dbraw/zinc/85/42/91/469854291.db2.gz RRWUBBLAGAJNSM-MAUKXSAKSA-N 2 0 330.476 2.043 10 0 EEAERP COc1cncc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1C ZINC000631112087 470071192 /nfs/dbraw/zinc/07/11/92/470071192.db2.gz XKJIKBHOZQMONY-LJQANCHMSA-N 2 0 341.455 2.255 10 0 EEAERP 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ZINC000650747286 470957372 /nfs/dbraw/zinc/95/73/72/470957372.db2.gz WPJISJNQHTXJFU-QGZVFWFLSA-N 2 0 329.448 2.137 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654551653 471067915 /nfs/dbraw/zinc/06/79/15/471067915.db2.gz UWVIZSKDQAHHOY-HIEASXQVSA-N 2 0 334.508 2.319 10 0 EEAERP c1cc(C[NH2+]CCN2CCc3ccccc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657298876 471089087 /nfs/dbraw/zinc/08/90/87/471089087.db2.gz PUYMCSQTCKNXTK-UHFFFAOYSA-N 2 0 333.439 2.415 10 0 EEAERP c1cc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)sn1 ZINC000638440480 471096474 /nfs/dbraw/zinc/09/64/74/471096474.db2.gz WTRIOICPLMUMSQ-UHFFFAOYSA-N 2 0 333.457 2.144 10 0 EEAERP Cn1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C(F)F)n1 ZINC000657537438 471163915 /nfs/dbraw/zinc/16/39/15/471163915.db2.gz LFXHJXKATSAXFU-UHFFFAOYSA-N 2 0 342.434 2.338 10 0 EEAERP c1c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn2c1CCCC2 ZINC000657537551 471164156 /nfs/dbraw/zinc/16/41/56/471164156.db2.gz OROTYRNQOMLKFF-UHFFFAOYSA-N 2 0 332.492 2.200 10 0 EEAERP O[C@]1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000651944421 471179645 /nfs/dbraw/zinc/17/96/45/471179645.db2.gz VIBWGRJWXLVSHJ-DOIPELPJSA-N 2 0 344.499 2.418 10 0 EEAERP c1nn2c(c1C[NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000657613822 471187512 /nfs/dbraw/zinc/18/75/12/471187512.db2.gz RNZLJAWTLHFPDU-UHFFFAOYSA-N 2 0 325.460 2.226 10 0 EEAERP COCC[N@@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C(C)(C)C1 ZINC000652035825 471210956 /nfs/dbraw/zinc/21/09/56/471210956.db2.gz IZLHMUXPUYAINW-UHFFFAOYSA-N 2 0 343.475 2.118 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000652152967 471245963 /nfs/dbraw/zinc/24/59/63/471245963.db2.gz ZIJOIYUNRAEQTJ-QGZVFWFLSA-N 2 0 330.476 2.079 10 0 EEAERP CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652337356 471273680 /nfs/dbraw/zinc/27/36/80/471273680.db2.gz GJJDTCWUAIREFA-SFHVURJKSA-N 2 0 329.488 2.461 10 0 EEAERP Cc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000663374171 471345222 /nfs/dbraw/zinc/34/52/22/471345222.db2.gz GXQNSQCHONYYQP-LJQANCHMSA-N 2 0 332.488 2.446 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000669310748 471451006 /nfs/dbraw/zinc/45/10/06/471451006.db2.gz IQUCRDRJZMFDGV-LMMKCTJWSA-N 2 0 336.524 2.140 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)ccc1F ZINC000655714801 471452478 /nfs/dbraw/zinc/45/24/78/471452478.db2.gz DAEPSFRZIFERAS-SFHVURJKSA-N 2 0 335.467 2.230 10 0 EEAERP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CS1 ZINC000655720790 471455838 /nfs/dbraw/zinc/45/58/38/471455838.db2.gz GKONICNJOCNPLT-ZBFHGGJFSA-N 2 0 341.565 2.487 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCc2occc21 ZINC000663679724 471470826 /nfs/dbraw/zinc/47/08/26/471470826.db2.gz JTCFUTHHBQFRJJ-GOEBONIOSA-N 2 0 336.480 2.228 10 0 EEAERP C[C@H](CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C[NH+]1CCCC1 ZINC000659033744 471476319 /nfs/dbraw/zinc/47/63/19/471476319.db2.gz XYFBMHLQLMBVJZ-QAPCUYQASA-N 2 0 346.475 2.201 10 0 EEAERP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806015 471489328 /nfs/dbraw/zinc/48/93/28/471489328.db2.gz WZRDCDFEJFCUIB-HHXXYDBFSA-N 2 0 343.475 2.348 10 0 EEAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653109453 471492311 /nfs/dbraw/zinc/49/23/11/471492311.db2.gz BTDYZYCKEZKAPM-OALUTQOASA-N 2 0 327.472 2.082 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653116475 471496534 /nfs/dbraw/zinc/49/65/34/471496534.db2.gz IGLDKQYGQYIJEW-RTBURBONSA-N 2 0 345.487 2.164 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653118285 471497889 /nfs/dbraw/zinc/49/78/89/471497889.db2.gz HROAATXENJOVBW-MSOLQXFVSA-N 2 0 331.460 2.486 10 0 EEAERP CCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663784847 471517758 /nfs/dbraw/zinc/51/77/58/471517758.db2.gz XGLNZGYELAKEST-BBWFWOEESA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)(CC[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000655939686 471550115 /nfs/dbraw/zinc/55/01/15/471550115.db2.gz JJKXNSKFPUYMFM-DLBZAZTESA-N 2 0 334.508 2.033 10 0 EEAERP C[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565860 471560020 /nfs/dbraw/zinc/56/00/20/471560020.db2.gz NRLACICLDCIETI-ICSRJNTNSA-N 2 0 344.503 2.482 10 0 EEAERP [NH3+][C@@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000659371076 471596081 /nfs/dbraw/zinc/59/60/81/471596081.db2.gz YNQDXFUVIXIFAR-ROUUACIJSA-N 2 0 325.412 2.376 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000659423099 471619604 /nfs/dbraw/zinc/61/96/04/471619604.db2.gz IYFSFMXJWJAZRD-MSOLQXFVSA-N 2 0 332.492 2.496 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659427030 471620432 /nfs/dbraw/zinc/62/04/32/471620432.db2.gz JFOCBDNEBOAYNH-URSIVYNOSA-N 2 0 330.476 2.121 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1=O ZINC000653570496 471669888 /nfs/dbraw/zinc/66/98/88/471669888.db2.gz QTZQTRKEFCOIAN-AEFFLSMTSA-N 2 0 325.456 2.455 10 0 EEAERP CCN(C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000664672874 471830258 /nfs/dbraw/zinc/83/02/58/471830258.db2.gz FCLSNGADXRBGRR-QXAKKESOSA-N 2 0 344.503 2.243 10 0 EEAERP CC(C[NH+]1CCC[C@@](O)(C2CC2)C1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661627981 471831438 /nfs/dbraw/zinc/83/14/38/471831438.db2.gz SHKDKFVUEMHAOS-PMACEKPBSA-N 2 0 336.520 2.096 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(F)c1OC(F)F ZINC000660145724 471881880 /nfs/dbraw/zinc/88/18/80/471881880.db2.gz XAAMHCJTUAMASL-UHFFFAOYSA-N 2 0 345.409 2.496 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667756578 471894058 /nfs/dbraw/zinc/89/40/58/471894058.db2.gz ZOBKEEOHVOVHAY-QUCCMNQESA-N 2 0 330.472 2.300 10 0 EEAERP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000661881317 471912385 /nfs/dbraw/zinc/91/23/85/471912385.db2.gz USJIJXDYAWNSPO-LPHOPBHVSA-N 2 0 349.519 2.011 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCCC1(F)F ZINC000664980768 471917387 /nfs/dbraw/zinc/91/73/87/471917387.db2.gz FTINNWDGNBGZQL-LSDHHAIUSA-N 2 0 348.482 2.383 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000665240334 471977255 /nfs/dbraw/zinc/97/72/55/471977255.db2.gz IMRJXOGOIBYVKK-XRXFAXGQSA-N 3 0 343.515 2.264 10 0 EEAERP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662337304 472076568 /nfs/dbraw/zinc/07/65/68/472076568.db2.gz LBPZLXDAKOSLHY-WCXIOVBPSA-N 2 0 329.492 2.045 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662386835 472093660 /nfs/dbraw/zinc/09/36/60/472093660.db2.gz NROVOMHQFLFMAU-HUUCEWRRSA-N 2 0 348.491 2.239 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662684207 472205223 /nfs/dbraw/zinc/20/52/23/472205223.db2.gz BZQYOAANZHBLBK-OALUTQOASA-N 2 0 337.423 2.173 10 0 EEAERP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC2(CCC2)C1 ZINC000662699493 472213680 /nfs/dbraw/zinc/21/36/80/472213680.db2.gz BIMASUDRSTZPDM-GOSISDBHSA-N 2 0 341.499 2.329 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCc2nc[nH]c2C1 ZINC000665989240 472264916 /nfs/dbraw/zinc/26/49/16/472264916.db2.gz HDDHYBTUCILGSH-LPHOPBHVSA-N 2 0 338.455 2.468 10 0 EEAERP CCN(C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000666139722 472321018 /nfs/dbraw/zinc/32/10/18/472321018.db2.gz TUDHXWITKQWZDJ-INIZCTEOSA-N 2 0 348.491 2.493 10 0 EEAERP C[C@@H]1C[C@@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042441 485572042 /nfs/dbraw/zinc/57/20/42/485572042.db2.gz BNGOKTZMYITGOK-YZGWKJHDSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000680958759 486099123 /nfs/dbraw/zinc/09/91/23/486099123.db2.gz JLSORZRDTPSPQP-FPCVCCKLSA-N 2 0 332.496 2.266 10 0 EEAERP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586477 486646047 /nfs/dbraw/zinc/64/60/47/486646047.db2.gz HJFAZQVUQVUTSE-WMZOPIPTSA-N 2 0 344.503 2.334 10 0 EEAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765426514 577500846 /nfs/dbraw/zinc/50/08/46/577500846.db2.gz FLSNZDWYOVBBCA-KBPBESRZSA-N 2 0 339.505 2.439 10 0 EEAERP COc1ccc(CC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000750289953 577989911 /nfs/dbraw/zinc/98/99/11/577989911.db2.gz ODQIKYSGSYRQIZ-IBGZPJMESA-N 2 0 332.488 2.406 10 0 EEAERP C[NH+](C)CCNC(=S)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741499138 578120437 /nfs/dbraw/zinc/12/04/37/578120437.db2.gz RAOWIQDTFLXCRI-UKRRQHHQSA-N 2 0 340.562 2.157 10 0 EEAERP [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323438837 692902163 /nfs/dbraw/zinc/90/21/63/692902163.db2.gz CFQCPKHQUJALPC-OALUTQOASA-N 2 0 329.488 2.486 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCCC[NH+]2CCN(C)CC2)n(C)n1 ZINC000924663907 693102328 /nfs/dbraw/zinc/10/23/28/693102328.db2.gz YCUWDHBDQOJSQH-UYAOXDASSA-N 2 0 347.551 2.057 10 0 EEAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485510635 1191820508 /nfs/dbraw/zinc/82/05/08/1191820508.db2.gz NBLAHOPYLBNOKR-GXTWGEPZSA-N 2 0 335.414 2.250 10 0 EEAERP CCC/C=C\CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001485555368 1191833527 /nfs/dbraw/zinc/83/35/27/1191833527.db2.gz KCJRCCYJWHHOMC-XZZFYQAUSA-N 2 0 349.519 2.130 10 0 EEAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001485645001 1191877684 /nfs/dbraw/zinc/87/76/84/1191877684.db2.gz SYOLEJOCKQVWLD-DLBZAZTESA-N 2 0 341.540 2.216 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001266472656 1176603001 /nfs/dbraw/zinc/60/30/01/1176603001.db2.gz OMQSUIWTKJJINP-GOSISDBHSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001691795565 1176667222 /nfs/dbraw/zinc/66/72/22/1176667222.db2.gz OBUULGXQNQAXSN-RDBSUJKOSA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001266626764 1177022005 /nfs/dbraw/zinc/02/20/05/1177022005.db2.gz VYFHVTGWJADDTL-XSLAGTTESA-N 2 0 337.508 2.055 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001266798806 1177451056 /nfs/dbraw/zinc/45/10/56/1177451056.db2.gz PMEBDDLYDSQIML-INIZCTEOSA-N 2 0 335.467 2.202 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001691058504 1177478265 /nfs/dbraw/zinc/47/82/65/1177478265.db2.gz MLJVHKFWGUMFOP-BZUAXINKSA-N 2 0 336.455 2.196 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266877855 1177687540 /nfs/dbraw/zinc/68/75/40/1177687540.db2.gz MSQMWVLMVXLVJP-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCCCc1ccccc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691413632 1178021503 /nfs/dbraw/zinc/02/15/03/1178021503.db2.gz SQZGSLUJIDQFFV-UXHICEINSA-N 2 0 343.515 2.494 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691423873 1178032722 /nfs/dbraw/zinc/03/27/22/1178032722.db2.gz RBFKJEWJKSREGV-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC001266994369 1178053180 /nfs/dbraw/zinc/05/31/80/1178053180.db2.gz MHBMYAMJNHVZAP-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267052922 1178158220 /nfs/dbraw/zinc/15/82/20/1178158220.db2.gz IWBAHAFIMXCYIV-UYAOXDASSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267052921 1178158262 /nfs/dbraw/zinc/15/82/62/1178158262.db2.gz IWBAHAFIMXCYIV-AZUAARDMSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001267058719 1178166902 /nfs/dbraw/zinc/16/69/02/1178166902.db2.gz VMXZPCMPLRSZFT-ICSRJNTNSA-N 2 0 343.515 2.317 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001267373783 1178890074 /nfs/dbraw/zinc/89/00/74/1178890074.db2.gz MOTOUWQYTPMHLE-HXUWFJFHSA-N 2 0 343.515 2.181 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(F)cc2C)CC[N@@H+]1C ZINC001267374941 1178894646 /nfs/dbraw/zinc/89/46/46/1178894646.db2.gz QMVIQYHCUSJXIJ-ZWKOTPCHSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001691466423 1178897014 /nfs/dbraw/zinc/89/70/14/1178897014.db2.gz GDNIXTYGSPYQDO-KURKYZTESA-N 2 0 339.524 2.160 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001480936245 1178913535 /nfs/dbraw/zinc/91/35/35/1178913535.db2.gz YHJAYXXSAYGXJQ-QZTJIDSGSA-N 2 0 347.503 2.364 10 0 EEAERP CN(CC[NH2+]CCc1cccs1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267439338 1179012177 /nfs/dbraw/zinc/01/21/77/1179012177.db2.gz CYPUMSDKHQGANT-NVXWUHKLSA-N 2 0 335.517 2.356 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001267475083 1179109230 /nfs/dbraw/zinc/10/92/30/1179109230.db2.gz XBDJEXKOIAUJHA-IBGZPJMESA-N 2 0 347.503 2.364 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001481057548 1179647992 /nfs/dbraw/zinc/64/79/92/1179647992.db2.gz HYGYXGAATYDNMF-YJBOKZPZSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)CCC1 ZINC001481095238 1179729479 /nfs/dbraw/zinc/72/94/79/1179729479.db2.gz GZBIVUKOZJHGCX-INIZCTEOSA-N 2 0 333.520 2.489 10 0 EEAERP O=C(NCC[N@H+](C[C@H]1CCCCO1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001481173477 1179990881 /nfs/dbraw/zinc/99/08/81/1179990881.db2.gz GIZBJBLKXAQMLW-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001481228389 1180359620 /nfs/dbraw/zinc/35/96/20/1180359620.db2.gz BQBKLTSOFBPKIC-MRXNPFEDSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001481236817 1180384392 /nfs/dbraw/zinc/38/43/92/1180384392.db2.gz YATYJBWTMIMJKT-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1N(C)C ZINC001481236574 1180384697 /nfs/dbraw/zinc/38/46/97/1180384697.db2.gz SXVFXJHCVODALK-LJQANCHMSA-N 2 0 346.519 2.175 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001267842977 1180622474 /nfs/dbraw/zinc/62/24/74/1180622474.db2.gz DJYNMKCPCSDLOT-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267932885 1180784466 /nfs/dbraw/zinc/78/44/66/1180784466.db2.gz WAGANRDSKXVQPW-BZSNNMDCSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001481518186 1181628717 /nfs/dbraw/zinc/62/87/17/1181628717.db2.gz KCMXBEUMHXLAHB-DOTOQJQBSA-N 2 0 327.488 2.247 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCOCC(C)C)C1 ZINC001481539393 1181685986 /nfs/dbraw/zinc/68/59/86/1181685986.db2.gz ISBJRWFMQWSQEH-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCc1cccs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268115909 1181761954 /nfs/dbraw/zinc/76/19/54/1181761954.db2.gz CMLNTQHHYGWLMG-JKSUJKDBSA-N 2 0 337.533 2.363 10 0 EEAERP CC[C@H](C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)OC ZINC001268162175 1181873950 /nfs/dbraw/zinc/87/39/50/1181873950.db2.gz IKYMAWJLJYUJCY-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)OC ZINC001268162180 1181875061 /nfs/dbraw/zinc/87/50/61/1181875061.db2.gz IKYMAWJLJYUJCY-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001268287699 1182166281 /nfs/dbraw/zinc/16/62/81/1182166281.db2.gz PAHJNSIDTOTUME-WOJBJXKFSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1ccnc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001268367617 1182345769 /nfs/dbraw/zinc/34/57/69/1182345769.db2.gz UMEANNYXLVBYMH-INIZCTEOSA-N 2 0 347.507 2.034 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268450394 1182634546 /nfs/dbraw/zinc/63/45/46/1182634546.db2.gz VUZHRVYZSUBIAW-INIZCTEOSA-N 2 0 338.521 2.262 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481775798 1182672842 /nfs/dbraw/zinc/67/28/42/1182672842.db2.gz PYZOJVWOSWTBRH-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](CNC(=O)Cc1ncc[nH]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001481861005 1182826681 /nfs/dbraw/zinc/82/66/81/1182826681.db2.gz HCCRZBNQXYAMHG-CRAIPNDOSA-N 2 0 340.471 2.242 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001481878044 1182874587 /nfs/dbraw/zinc/87/45/87/1182874587.db2.gz HVACZUAGZGOTHI-KDOFPFPSSA-N 2 0 333.451 2.393 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001481926693 1182970202 /nfs/dbraw/zinc/97/02/02/1182970202.db2.gz ZMVMEDCBTARFIX-PKOBYXMFSA-N 2 0 333.451 2.294 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001268538150 1183201771 /nfs/dbraw/zinc/20/17/71/1183201771.db2.gz GZGXTGZNKZKRHT-QFRLHKFZSA-N 2 0 349.425 2.069 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001268557550 1183251013 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0 EEAERP Cc1cccc(OCC[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001269422409 1184254390 /nfs/dbraw/zinc/25/43/90/1184254390.db2.gz ACUANPBIDGNSOB-UHFFFAOYSA-N 2 0 345.487 2.097 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)c2cnc(C)cn2)CCCC1 ZINC001482234588 1184430929 /nfs/dbraw/zinc/43/09/29/1184430929.db2.gz YIHUHKZGKMLECD-INIZCTEOSA-N 2 0 347.507 2.206 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001269639461 1184463123 /nfs/dbraw/zinc/46/31/23/1184463123.db2.gz WDUHUZPWCFYFAX-KBXCAEBGSA-N 2 0 327.488 2.341 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001269786759 1184619996 /nfs/dbraw/zinc/61/99/96/1184619996.db2.gz XSMYICOWEVLHHZ-INIZCTEOSA-N 2 0 339.499 2.296 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270120794 1184864708 /nfs/dbraw/zinc/86/47/08/1184864708.db2.gz JBYAUBXGUHYJSN-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482284620 1185065090 /nfs/dbraw/zinc/06/50/90/1185065090.db2.gz PDIOMKVTNBGTBP-MAUKXSAKSA-N 2 0 332.492 2.199 10 0 EEAERP CCCCOCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270899420 1185694207 /nfs/dbraw/zinc/69/42/07/1185694207.db2.gz MGLQAVZAVMVCEG-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)co1 ZINC001482456832 1185884530 /nfs/dbraw/zinc/88/45/30/1185884530.db2.gz PCUXZKKLALKXRW-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001482552810 1186681772 /nfs/dbraw/zinc/68/17/72/1186681772.db2.gz AKDAFAGUNIVBIZ-INIZCTEOSA-N 2 0 327.419 2.147 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001482572348 1186919268 /nfs/dbraw/zinc/91/92/68/1186919268.db2.gz ZBHKHAOHNQRIFX-MRXNPFEDSA-N 2 0 338.521 2.086 10 0 EEAERP COc1ccc(C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C)cc1C ZINC001482651632 1187487625 /nfs/dbraw/zinc/48/76/25/1187487625.db2.gz HDCKVOZYLJFDNR-UHFFFAOYSA-N 2 0 335.492 2.234 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482651855 1187488352 /nfs/dbraw/zinc/48/83/52/1187488352.db2.gz LAZBJUGANCOLOO-LJQANCHMSA-N 2 0 346.519 2.401 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001482868282 1187788265 /nfs/dbraw/zinc/78/82/65/1187788265.db2.gz RZJOTEFEKASFFW-OAHLLOKOSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)co1 ZINC001482880807 1187806031 /nfs/dbraw/zinc/80/60/31/1187806031.db2.gz VYPMCNTXYFFKPE-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001482903307 1187828550 /nfs/dbraw/zinc/82/85/50/1187828550.db2.gz ZHYRDDJZMNLUBY-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCOC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001482955477 1187882744 /nfs/dbraw/zinc/88/27/44/1187882744.db2.gz LDKBUYLLLHOQDT-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1scnc1C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482949511 1187888816 /nfs/dbraw/zinc/88/88/16/1187888816.db2.gz YJWWVNHBUUPWEG-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001483081956 1188443435 /nfs/dbraw/zinc/44/34/35/1188443435.db2.gz HZMXWBSYGPYJFC-XDXAGZTOSA-N 2 0 329.488 2.407 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001409290122 1188602623 /nfs/dbraw/zinc/60/26/23/1188602623.db2.gz RGHPLKHMVFBGCT-QZZVJRGCSA-N 2 0 334.291 2.132 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483128290 1188605608 /nfs/dbraw/zinc/60/56/08/1188605608.db2.gz ALDSJTYDMIZILG-SJORKVTESA-N 2 0 344.503 2.331 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272866038 1193583190 /nfs/dbraw/zinc/58/31/90/1193583190.db2.gz PSTXTCAHGBPOQK-YPMHNXCESA-N 2 0 344.912 2.265 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483193112 1189078959 /nfs/dbraw/zinc/07/89/59/1189078959.db2.gz ROQSEDPEGJMCPC-NEPJUHHUSA-N 2 0 327.831 2.025 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001409361534 1189576221 /nfs/dbraw/zinc/57/62/21/1189576221.db2.gz JVJOMNCFPVENQP-HOTGVXAUSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001409398252 1189623425 /nfs/dbraw/zinc/62/34/25/1189623425.db2.gz MZGIJOTWHAZPQE-CVEARBPZSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n1 ZINC001485916024 1193639035 /nfs/dbraw/zinc/63/90/35/1193639035.db2.gz IRXUIBODAVQOFK-MRXNPFEDSA-N 2 0 346.519 2.483 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001483442643 1190482137 /nfs/dbraw/zinc/48/21/37/1190482137.db2.gz GUGYHEYTNGFRPE-GDBMZVCRSA-N 2 0 338.521 2.250 10 0 EEAERP COCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001486095085 1193679632 /nfs/dbraw/zinc/67/96/32/1193679632.db2.gz GFRRNGSCXYTIIF-APWZRJJASA-N 2 0 347.503 2.252 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483496672 1190513041 /nfs/dbraw/zinc/51/30/41/1190513041.db2.gz DOUCGRHZICHSHT-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1scnc1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409843907 1190676373 /nfs/dbraw/zinc/67/63/73/1190676373.db2.gz OGCCXJUFNNYIPU-CABCVRRESA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1nocc1C ZINC001409847487 1190679727 /nfs/dbraw/zinc/67/97/27/1190679727.db2.gz RFNNOJQZAWRCIU-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cncc(F)c2)CC1 ZINC001483745551 1190898650 /nfs/dbraw/zinc/89/86/50/1190898650.db2.gz DILXJEFPJCQPPR-QGZVFWFLSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cnc(C)s2)C1)[NH+](C)C ZINC001272615225 1190930567 /nfs/dbraw/zinc/93/05/67/1190930567.db2.gz AIAXPHQWTAQDDX-ZBFHGGJFSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001483759438 1190986899 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0 EEAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001484252392 1191289713 /nfs/dbraw/zinc/28/97/13/1191289713.db2.gz NDWJZDGEYBVJJW-UYAOXDASSA-N 2 0 347.503 2.031 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001484376049 1191322740 /nfs/dbraw/zinc/32/27/40/1191322740.db2.gz AVKIKFFRTIDPCA-KGLIPLIRSA-N 2 0 337.430 2.355 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CC2)C1 ZINC001484391378 1191325964 /nfs/dbraw/zinc/32/59/64/1191325964.db2.gz POUTWELAQSCISW-OQIJWPOYSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(CC[NH2+]CC2CC2)Cc2ccccc2)CC[N@@H+]1C ZINC001484399950 1191334975 /nfs/dbraw/zinc/33/49/75/1191334975.db2.gz XTEYJROCEOCBIR-VQIMIIECSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484536647 1191404170 /nfs/dbraw/zinc/40/41/70/1191404170.db2.gz SOUOTYSOKCTLML-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001484550270 1191409748 /nfs/dbraw/zinc/40/97/48/1191409748.db2.gz SCWOFYXMQSEOTL-OALUTQOASA-N 2 0 329.488 2.009 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001484550269 1191409765 /nfs/dbraw/zinc/40/97/65/1191409765.db2.gz SCWOFYXMQSEOTL-MOPGFXCFSA-N 2 0 329.488 2.009 10 0 EEAERP CC[C@@H](C(=O)NCc1cccc2c1CC[N@H+](CCCOC)C2)[NH+](C)C ZINC001484612625 1191437565 /nfs/dbraw/zinc/43/75/65/1191437565.db2.gz JRCYBQKCUOWOSJ-IBGZPJMESA-N 2 0 347.503 2.038 10 0 EEAERP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484811898 1191533266 /nfs/dbraw/zinc/53/32/66/1191533266.db2.gz COSZQKHKXJUIAW-IAGOWNOFSA-N 2 0 339.524 2.255 10 0 EEAERP CCOCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001484875230 1191559045 /nfs/dbraw/zinc/55/90/45/1191559045.db2.gz XUQVXYGBKGLQLM-IBGZPJMESA-N 2 0 345.487 2.139 10 0 EEAERP CCCCCC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001484903778 1191569470 /nfs/dbraw/zinc/56/94/70/1191569470.db2.gz NCJJDTDQDDOVTG-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC1([NH2+]CC[C@@H]2CCCCO2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484927851 1191573863 /nfs/dbraw/zinc/57/38/63/1191573863.db2.gz XDSOJAYGWRAFEI-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001485039104 1191627687 /nfs/dbraw/zinc/62/76/87/1191627687.db2.gz BKVNTTZXPWRUNW-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001485071747 1191641765 /nfs/dbraw/zinc/64/17/65/1191641765.db2.gz WIJDZVLERBXWRR-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001485110140 1191657628 /nfs/dbraw/zinc/65/76/28/1191657628.db2.gz WGPZMEYGGMHCRE-ROKHWSDSSA-N 2 0 348.318 2.151 10 0 EEAERP CCc1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218464 1191690084 /nfs/dbraw/zinc/69/00/84/1191690084.db2.gz YWLODKFEXIKJIR-HOTGVXAUSA-N 2 0 329.488 2.328 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485207043 1191693399 /nfs/dbraw/zinc/69/33/99/1191693399.db2.gz SVEIQTAJDJBDCI-KGLIPLIRSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001485308298 1191726939 /nfs/dbraw/zinc/72/69/39/1191726939.db2.gz UMUKHVHRMXGBHI-JXXFODFXSA-N 2 0 343.515 2.452 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(F)c(Cl)c1 ZINC001485384731 1191769257 /nfs/dbraw/zinc/76/92/57/1191769257.db2.gz XUGFSDMFTWGGQY-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cnoc1C)CC2 ZINC001486160214 1193706365 /nfs/dbraw/zinc/70/63/65/1193706365.db2.gz MQVWRSVYCMDHDH-MJGOQNOKSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001486218704 1193757065 /nfs/dbraw/zinc/75/70/65/1193757065.db2.gz ZYWGNINJSCFBOT-AEFFLSMTSA-N 2 0 339.499 2.343 10 0 EEAERP CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001486254584 1193782110 /nfs/dbraw/zinc/78/21/10/1193782110.db2.gz VPKVLXUCOZIGLX-QWHCGFSZSA-N 2 0 337.430 2.211 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]Cc2nccs2)C(C)(C)C)C1 ZINC001486419722 1193932370 /nfs/dbraw/zinc/93/23/70/1193932370.db2.gz IDCRPOLOJIXFKG-KGLIPLIRSA-N 2 0 338.521 2.105 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001486475310 1193988963 /nfs/dbraw/zinc/98/89/63/1193988963.db2.gz JCPVHBCGKHNLIC-UHFFFAOYSA-N 2 0 339.430 2.038 10 0 EEAERP Cc1cccc(CCC[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001486482362 1193996283 /nfs/dbraw/zinc/99/62/83/1193996283.db2.gz ALKBQKBPRCOJNY-XEVCZEQESA-N 2 0 343.515 2.458 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001486483438 1193997274 /nfs/dbraw/zinc/99/72/74/1193997274.db2.gz JQOBUDDFZFLPDE-NFOMZHRRSA-N 2 0 331.451 2.341 10 0 EEAERP C[C@@H](CC(=O)NCC1=CC[N@H+](C[C@H]2CCCOC2)CC1)n1ccnc1 ZINC001486516456 1194022276 /nfs/dbraw/zinc/02/22/76/1194022276.db2.gz IGEOMKRHBPCGQT-FUHWJXTLSA-N 2 0 346.475 2.009 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001273052448 1194356540 /nfs/dbraw/zinc/35/65/40/1194356540.db2.gz LDTTZIJMGUOGLQ-GDBMZVCRSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]21)[NH+](C)C ZINC001410103967 1197551109 /nfs/dbraw/zinc/55/11/09/1197551109.db2.gz AZTQJQDMPPPZAJ-FJIDUMEYSA-N 2 0 349.906 2.474 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](C[C@H](F)CC)C2 ZINC001410171653 1197583728 /nfs/dbraw/zinc/58/37/28/1197583728.db2.gz QILPZIKWBFZVIO-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncc(C[NH+]2C[C@@H]3CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]3C2)o1 ZINC001410189589 1197594788 /nfs/dbraw/zinc/59/47/88/1197594788.db2.gz PQADBYRVKZTSGM-ULQDDVLXSA-N 2 0 348.491 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC001410234708 1197623104 /nfs/dbraw/zinc/62/31/04/1197623104.db2.gz TUWHMBBBJSOLBD-SHTZXODSSA-N 2 0 344.459 2.152 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001410399251 1197802822 /nfs/dbraw/zinc/80/28/22/1197802822.db2.gz UZIASTNQABGYKN-VQIMIIECSA-N 2 0 347.503 2.254 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2=O)[C@H](C)C1 ZINC000872112968 1198047673 /nfs/dbraw/zinc/04/76/73/1198047673.db2.gz DYJICQLSOXJJIX-IKGGRYGDSA-N 2 0 326.481 2.056 10 0 EEAERP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)CCCCCC[NH3+] ZINC000872154924 1198062321 /nfs/dbraw/zinc/06/23/21/1198062321.db2.gz FLCJZWDWUCJVOJ-DOTOQJQBSA-N 2 0 333.476 2.466 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(Cl)s2)C[C@H]1C ZINC001410845497 1198495897 /nfs/dbraw/zinc/49/58/97/1198495897.db2.gz IEYDIEMUKUAYEG-NEPJUHHUSA-N 2 0 344.912 2.216 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2CCOCC2)[C@@H]1C ZINC001410932271 1198597425 /nfs/dbraw/zinc/59/74/25/1198597425.db2.gz RJQKPELBMAHYSK-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949315 1198616516 /nfs/dbraw/zinc/61/65/16/1198616516.db2.gz FSVPGAAPABIHLF-AEFFLSMTSA-N 2 0 332.492 2.105 10 0 EEAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C\Cl ZINC001411027885 1198707806 /nfs/dbraw/zinc/70/78/06/1198707806.db2.gz VQOQAARRYBVPKS-LYASGUKUSA-N 2 0 327.900 2.442 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001273427678 1198806433 /nfs/dbraw/zinc/80/64/33/1198806433.db2.gz LCHXBFFDNCJYSK-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)[C@@H](c2ccccc2)C1 ZINC000874828969 1199022402 /nfs/dbraw/zinc/02/24/02/1199022402.db2.gz YZKFOVTYSKBWEF-YDZRNGNQSA-N 2 0 327.472 2.027 10 0 EEAERP COc1cc(C)cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870016766 1200408841 /nfs/dbraw/zinc/40/88/41/1200408841.db2.gz YNUCPKDSVFYZPQ-IAGOWNOFSA-N 2 0 347.503 2.123 10 0 EEAERP C/C(=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccs1 ZINC000870017672 1200409469 /nfs/dbraw/zinc/40/94/69/1200409469.db2.gz RAEJFLTZPNPPAM-KUKCEQTMSA-N 2 0 335.517 2.349 10 0 EEAERP Cc1nc(C2CC2)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017456 1200409735 /nfs/dbraw/zinc/40/97/35/1200409735.db2.gz OKKIPJYKHSHBIR-IAGOWNOFSA-N 2 0 344.503 2.079 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)C[C@H]1C[NH+](C)C ZINC000870017756 1200409742 /nfs/dbraw/zinc/40/97/42/1200409742.db2.gz RCNOBJDLYFCGBW-KFWWJZLASA-N 2 0 331.451 2.010 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000870018985 1200410964 /nfs/dbraw/zinc/41/09/64/1200410964.db2.gz LODKASRBOUATDS-RBSFLKMASA-N 2 0 331.451 2.010 10 0 EEAERP CCc1nccn1[C@@H](C)CC(=O)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC000870093880 1200462870 /nfs/dbraw/zinc/46/28/70/1200462870.db2.gz XPWLZLQUQZBMRN-YOEHRIQHSA-N 2 0 342.443 2.275 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000870889063 1200934069 /nfs/dbraw/zinc/93/40/69/1200934069.db2.gz VKFQHVOCNOMPJC-QPIRBTGLSA-N 2 0 327.472 2.299 10 0 EEAERP CC[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000870918856 1200953509 /nfs/dbraw/zinc/95/35/09/1200953509.db2.gz RSURJBAMWDIIKS-IPFXWSOASA-N 2 0 341.499 2.472 10 0 EEAERP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870942236 1200969252 /nfs/dbraw/zinc/96/92/52/1200969252.db2.gz JACAGQLGEYDAHZ-FZMZJTMJSA-N 2 0 340.265 2.036 10 0 EEAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000866395875 1201506888 /nfs/dbraw/zinc/50/68/88/1201506888.db2.gz HMBGYAMIBLNTNM-BVGQSLNGSA-N 2 0 333.451 2.379 10 0 EEAERP CC[NH+]1CCC([NH2+]C[C@H]2CN(Cc3ccc(C)cc3)CCO2)CC1 ZINC000866558524 1201548454 /nfs/dbraw/zinc/54/84/54/1201548454.db2.gz NVXPAXSFOKESJZ-FQEVSTJZSA-N 2 0 331.504 2.270 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@H](C)C1 ZINC000866575128 1201551414 /nfs/dbraw/zinc/55/14/14/1201551414.db2.gz IOEXVIJAOOYRKW-CRAIPNDOSA-N 2 0 330.476 2.032 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000866579011 1201552656 /nfs/dbraw/zinc/55/26/56/1201552656.db2.gz XEPIUKAJKRSRMK-FHWLQOOXSA-N 2 0 342.487 2.174 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000882392603 1201864743 /nfs/dbraw/zinc/86/47/43/1201864743.db2.gz OBJSOABBKRIYNQ-MSOLQXFVSA-N 2 0 328.460 2.004 10 0 EEAERP CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000882393467 1201865393 /nfs/dbraw/zinc/86/53/93/1201865393.db2.gz ZLFQXCOTFLHNHL-SFHVURJKSA-N 2 0 330.476 2.251 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1F ZINC001274132433 1204392080 /nfs/dbraw/zinc/39/20/80/1204392080.db2.gz AIVFCWQNCIBMFP-REMYHPOOSA-N 2 0 337.414 2.211 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001274411953 1205025473 /nfs/dbraw/zinc/02/54/73/1205025473.db2.gz BUCRIMZYNDTWHE-DKRLNXSXSA-N 2 0 330.476 2.108 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1)[NH+](C)C ZINC001274506423 1205060630 /nfs/dbraw/zinc/06/06/30/1205060630.db2.gz AQGMFHXIYYMTOB-NFAHFFEMSA-N 2 0 331.451 2.414 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001274512371 1205063192 /nfs/dbraw/zinc/06/31/92/1205063192.db2.gz WXNXPHVYXIAXSC-SQRWCISFSA-N 2 0 325.403 2.067 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001274633159 1205106483 /nfs/dbraw/zinc/10/64/83/1205106483.db2.gz FVXKSCAFNSDYBL-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275266510 1205293920 /nfs/dbraw/zinc/29/39/20/1205293920.db2.gz LLMLVYCOTWVJIN-VDZJLULYSA-N 2 0 329.488 2.295 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001411563870 1205420232 /nfs/dbraw/zinc/42/02/32/1205420232.db2.gz VPUCVKDVMFFRDT-HBFSDRIKSA-N 2 0 329.488 2.480 10 0 EEAERP CCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+](CC)CC ZINC001411747286 1205509408 /nfs/dbraw/zinc/50/94/08/1205509408.db2.gz MMABHMXPPFTBDM-SJORKVTESA-N 2 0 348.539 2.245 10 0 EEAERP CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)C2)(c2ccccc2)CC1 ZINC001411779342 1205520213 /nfs/dbraw/zinc/52/02/13/1205520213.db2.gz LYMNWIRCZGBDNC-GOSISDBHSA-N 2 0 343.515 2.498 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)CC[N@@H+]2CC[C@@H](F)C2)c1 ZINC001412508849 1205744433 /nfs/dbraw/zinc/74/44/33/1205744433.db2.gz UFOBCVBBVYZARK-GOSISDBHSA-N 2 0 335.467 2.319 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924656962 1206012688 /nfs/dbraw/zinc/01/26/88/1206012688.db2.gz DXEPZCZBRXRGRY-AZUAARDMSA-N 2 0 347.551 2.057 10 0 EEAERP C[C@H]1[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925326513 1206097398 /nfs/dbraw/zinc/09/73/98/1206097398.db2.gz MEXHQQAZHIISCO-QFBILLFUSA-N 2 0 344.503 2.385 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518074 1206121938 /nfs/dbraw/zinc/12/19/38/1206121938.db2.gz NRKVCLGLQOWTIS-ZRNYENFQSA-N 2 0 343.515 2.426 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c3ccccc3)C1)[NH2+]2 ZINC000925735081 1206147655 /nfs/dbraw/zinc/14/76/55/1206147655.db2.gz SGOTXOKTCIVFCR-OLLLTRMCSA-N 2 0 334.485 2.110 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000925783544 1206153683 /nfs/dbraw/zinc/15/36/83/1206153683.db2.gz FLDLIRNOOVXTDL-IXDOHACOSA-N 2 0 331.460 2.485 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nccc3c2CCCC3)CC[NH2+]CC1 ZINC000925807192 1206155744 /nfs/dbraw/zinc/15/57/44/1206155744.db2.gz UJWGFQYXJLCMOC-OAHLLOKOSA-N 2 0 345.487 2.371 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cncc(F)c1 ZINC000925810050 1206156543 /nfs/dbraw/zinc/15/65/43/1206156543.db2.gz UXYPPXAOFZBDPN-HNNXBMFYSA-N 2 0 328.435 2.477 10 0 EEAERP Cc1cc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nn1C ZINC000925832618 1206158357 /nfs/dbraw/zinc/15/83/57/1206158357.db2.gz GMWUBGFBEZHQAU-PKOBYXMFSA-N 2 0 326.444 2.117 10 0 EEAERP C(CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)CCN1CC[NH2+]CC1 ZINC000925846838 1206159511 /nfs/dbraw/zinc/15/95/11/1206159511.db2.gz YAEZXSYXLJCQEO-BZUAXINKSA-N 2 0 329.579 2.031 10 0 EEAERP Cc1c([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)C ZINC000925849067 1206160196 /nfs/dbraw/zinc/16/01/96/1206160196.db2.gz HGSJLOYDANJBJR-UKRRQHHQSA-N 2 0 334.464 2.108 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2c(c1)COC2 ZINC000925852101 1206160887 /nfs/dbraw/zinc/16/08/87/1206160887.db2.gz GOMJUZIFNYCPIK-SUMWQHHRSA-N 2 0 330.428 2.053 10 0 EEAERP COc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1F ZINC000925856909 1206161832 /nfs/dbraw/zinc/16/18/32/1206161832.db2.gz OETDQZQSNRXKSH-JSGCOSHPSA-N 2 0 336.407 2.170 10 0 EEAERP [NH3+]C1CCN(CCNC(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000926084067 1206189617 /nfs/dbraw/zinc/18/96/17/1206189617.db2.gz KNMHNMNBRUMOHA-UHFFFAOYSA-N 2 0 332.782 2.163 10 0 EEAERP C[C@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000928837889 1206426199 /nfs/dbraw/zinc/42/61/99/1206426199.db2.gz WZBDQZMGYQUHNF-HPFXQQBRSA-N 2 0 332.492 2.452 10 0 EEAERP O[C@@H](C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1(O)CCC1 ZINC000930138925 1206537141 /nfs/dbraw/zinc/53/71/41/1206537141.db2.gz RBMWMZGHUIKHPN-IBGZPJMESA-N 2 0 344.499 2.250 10 0 EEAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930146116 1206537473 /nfs/dbraw/zinc/53/74/73/1206537473.db2.gz QGKNTKVQNATTJL-SFHVURJKSA-N 2 0 340.508 2.005 10 0 EEAERP CCCC[N@H+](C[C@](C)(O)C(=O)OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032889 1206601670 /nfs/dbraw/zinc/60/16/70/1206601670.db2.gz BAUFPDIBJXFJJZ-SFHVURJKSA-N 2 0 328.497 2.322 10 0 EEAERP c1ccc(C[N@@H+]2CC[C@@H](N3CCC([NH+]4CCCOCC4)CC3)C2)cc1 ZINC000931287600 1206622138 /nfs/dbraw/zinc/62/21/38/1206622138.db2.gz SKZCJFOVLQHGDP-OAQYLSRUSA-N 2 0 343.515 2.448 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccccc1 ZINC000900013963 1233974440 /nfs/dbraw/zinc/97/44/40/1233974440.db2.gz SUZQNTZDJGPFLO-GBESFXJTSA-N 2 0 329.488 2.292 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902746506 1238380902 /nfs/dbraw/zinc/38/09/02/1238380902.db2.gz IWXVTSFAFYDXTI-AOIWGVFYSA-N 2 0 331.504 2.242 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902948524 1239163885 /nfs/dbraw/zinc/16/38/85/1239163885.db2.gz SYAIMIHHFBBRRV-POHNSKBLSA-N 2 0 342.483 2.156 10 0 EEAERP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@]34CCOC4)CC2)c1 ZINC000903083266 1239689467 /nfs/dbraw/zinc/68/94/67/1239689467.db2.gz CQYOADICEBYUIW-ROUUACIJSA-N 2 0 336.501 2.498 10 0 EEAERP COc1cc2c(c(OC)c1OC)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903456301 1240521029 /nfs/dbraw/zinc/52/10/29/1240521029.db2.gz GEWDBLFVFVJIKH-HIFRSBDPSA-N 2 0 334.460 2.240 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000903493443 1240660725 /nfs/dbraw/zinc/66/07/25/1240660725.db2.gz XURBLCUVJPBCEM-AHIWAGSCSA-N 2 0 340.370 2.000 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903732531 1241762974 /nfs/dbraw/zinc/76/29/74/1241762974.db2.gz FMOZLJPEFLUVNQ-QHAWAJNXSA-N 2 0 344.499 2.479 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@H]1CC[NH3+] ZINC000903977321 1242824867 /nfs/dbraw/zinc/82/48/67/1242824867.db2.gz OWDDZTYZNMZQAS-IAGOWNOFSA-N 2 0 345.487 2.105 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490958437 1258510243 /nfs/dbraw/zinc/51/02/43/1258510243.db2.gz ZESLSPPIDPVXQK-FHWLQOOXSA-N 2 0 344.503 2.247 10 0 EEAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC(C)C)[NH+](C)C ZINC001490975878 1258524982 /nfs/dbraw/zinc/52/49/82/1258524982.db2.gz OCTWCMPJFQGFAI-FBVQUNGASA-N 2 0 339.524 2.111 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001491072470 1258637489 /nfs/dbraw/zinc/63/74/89/1258637489.db2.gz WCRFJZKJHCNLFV-GASCZTMLSA-N 2 0 338.521 2.229 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001491169626 1258738149 /nfs/dbraw/zinc/73/81/49/1258738149.db2.gz DIJPGYAXNRIZSF-QGZVFWFLSA-N 2 0 337.533 2.461 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001491188905 1258755132 /nfs/dbraw/zinc/75/51/32/1258755132.db2.gz YAEOLBTVEURKNY-MRXNPFEDSA-N 2 0 337.533 2.461 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491478795 1259129495 /nfs/dbraw/zinc/12/94/95/1259129495.db2.gz SUMUDACESVYQJF-YJBOKZPZSA-N 2 0 330.476 2.083 10 0 EEAERP CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850118853 1277044530 /nfs/dbraw/zinc/04/45/30/1277044530.db2.gz DLPPMJWPHGUULT-UHFFFAOYSA-N 2 0 331.420 2.272 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC2(C[NH+](CC3CC3)C2)O1 ZINC001273676695 1283033859 /nfs/dbraw/zinc/03/38/59/1283033859.db2.gz YTPHKQLEQOJFAW-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1)[NH+](CC)CC ZINC001489200322 1290443339 /nfs/dbraw/zinc/44/33/39/1290443339.db2.gz JRPQEYGBVBXPFB-IKGGRYGDSA-N 2 0 327.488 2.247 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001489346874 1290530918 /nfs/dbraw/zinc/53/09/18/1290530918.db2.gz GCZPERZOLDCRTJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1cccnc1 ZINC001490208297 1291000289 /nfs/dbraw/zinc/00/02/89/1291000289.db2.gz UBPQCRBXZJPBRS-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP Cc1ccncc1C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001490425518 1291337675 /nfs/dbraw/zinc/33/76/75/1291337675.db2.gz VHSNTUVHXSMAHA-UHFFFAOYSA-N 2 0 332.492 2.153 10 0 EEAERP CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490605596 1291515516 /nfs/dbraw/zinc/51/55/16/1291515516.db2.gz HMGUHPWFYGTECL-REMYHPOOSA-N 2 0 331.504 2.409 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857864843 1293934699 /nfs/dbraw/zinc/93/46/99/1293934699.db2.gz JTFLBQVMUKHVFZ-MSOLQXFVSA-N 2 0 326.444 2.144 10 0 EEAERP C[C@@H](C[NH3+])NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000861642917 1295487360 /nfs/dbraw/zinc/48/73/60/1295487360.db2.gz KQYXRYKWQAUOTQ-TVQRCGJNSA-N 2 0 333.263 2.243 10 0 EEAERP OC1(CC[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000926856677 1296943127 /nfs/dbraw/zinc/94/31/27/1296943127.db2.gz XMQCEIQSJGZTEK-VQTJNVASSA-N 2 0 343.515 2.087 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)[C@@H](C)C1 ZINC000926998122 1296985201 /nfs/dbraw/zinc/98/52/01/1296985201.db2.gz ZZOBBVHXYDJRQZ-VIQHNZTISA-N 2 0 337.508 2.419 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927145198 1297036045 /nfs/dbraw/zinc/03/60/45/1297036045.db2.gz JZZZBLBPDMNZKD-RYQLBKOJSA-N 2 0 339.487 2.173 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncs1 ZINC001277187928 1301728697 /nfs/dbraw/zinc/72/86/97/1301728697.db2.gz YWXYTDFVONIFGT-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001277771435 1304380383 /nfs/dbraw/zinc/38/03/83/1304380383.db2.gz NSBULSXYZCFQGH-QZTJIDSGSA-N 2 0 347.503 2.213 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl)C1CCC1 ZINC001277866619 1304975516 /nfs/dbraw/zinc/97/55/16/1304975516.db2.gz WDBIGIWJRNUUCP-CYBMUJFWSA-N 2 0 334.291 2.370 10 0 EEAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC=C(Cl)Cl)C1CCC1 ZINC001277866621 1304975526 /nfs/dbraw/zinc/97/55/26/1304975526.db2.gz WDBIGIWJRNUUCP-ZDUSSCGKSA-N 2 0 334.291 2.370 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001277955819 1305297171 /nfs/dbraw/zinc/29/71/71/1305297171.db2.gz CBQQSRYHORMTDP-APWZRJJASA-N 2 0 347.503 2.103 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001278017025 1305696129 /nfs/dbraw/zinc/69/61/29/1305696129.db2.gz GZFFBYCHWNLHBG-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001276403799 1314998597 /nfs/dbraw/zinc/99/85/97/1314998597.db2.gz AHMCNQBXOYYZDA-WMZOPIPTSA-N 2 0 347.507 2.159 10 0 EEAERP Cn1c2ccc(C[NH2+]Cc3ccc(CC[NH3+])cc3)cc2sc1=O ZINC000841032277 1315459152 /nfs/dbraw/zinc/45/91/52/1315459152.db2.gz AUENAXSGRBBXRA-UHFFFAOYSA-N 2 0 327.453 2.391 10 0 EEAERP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001263991605 1322579408 /nfs/dbraw/zinc/57/94/08/1322579408.db2.gz IYKHHWWMDVLIGV-KMWJSLMQSA-N 2 0 327.900 2.440 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264194956 1322662438 /nfs/dbraw/zinc/66/24/38/1322662438.db2.gz JEOSDDQNGHEQTB-IRXDYDNUSA-N 2 0 341.540 2.216 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1F)[NH+](C)C ZINC001264997880 1322845440 /nfs/dbraw/zinc/84/54/40/1322845440.db2.gz XNAWSYBODXGSEL-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP C[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCOC1)[NH+]1CCCCCC1 ZINC001265043740 1322885509 /nfs/dbraw/zinc/88/55/09/1322885509.db2.gz XVEQWOLBFTWXHL-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001265095363 1322917879 /nfs/dbraw/zinc/91/78/79/1322917879.db2.gz UVHQWKQXPVPMOZ-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001265319694 1323067924 /nfs/dbraw/zinc/06/79/24/1323067924.db2.gz PXQUVPODGYWCLC-ZWKOTPCHSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001265494442 1323182681 /nfs/dbraw/zinc/18/26/81/1323182681.db2.gz OYLDQWLUBPBYSF-MGPQQGTHSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001265963705 1323525032 /nfs/dbraw/zinc/52/50/32/1323525032.db2.gz JVLRPZJIUWEQQH-RBUKOAKNSA-N 2 0 329.488 2.070 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001279567101 1323940495 /nfs/dbraw/zinc/94/04/95/1323940495.db2.gz WCACPOVIPWVWQE-BZSNNMDCSA-N 2 0 339.524 2.065 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](Cc3ccsc3)CC2)CCC1 ZINC001279574367 1323942602 /nfs/dbraw/zinc/94/26/02/1323942602.db2.gz TUZTUHZPNONIGG-UHFFFAOYSA-N 2 0 333.501 2.481 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CCc2ccccc2F)CC1 ZINC001279622059 1323962419 /nfs/dbraw/zinc/96/24/19/1323962419.db2.gz PJALZUUVXKCTPE-UHFFFAOYSA-N 2 0 347.478 2.458 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NCC1=CC[N@H+](CC2CCOCC2)CC1 ZINC001279695859 1323981303 /nfs/dbraw/zinc/98/13/03/1323981303.db2.gz QRSHOQXUBAPJDA-UHFFFAOYSA-N 2 0 349.519 2.037 10 0 EEAERP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276634659 1324906579 /nfs/dbraw/zinc/90/65/79/1324906579.db2.gz VRWPMYUSVHDBIW-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641290 1324939718 /nfs/dbraw/zinc/93/97/18/1324939718.db2.gz LESWAWKHSWXIAN-IRXDYDNUSA-N 2 0 325.472 2.237 10 0 EEAERP CCCCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282664225 1325759713 /nfs/dbraw/zinc/75/97/13/1325759713.db2.gz ZVDXGMFTQITSNU-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001282677616 1325763341 /nfs/dbraw/zinc/76/33/41/1325763341.db2.gz CNGPEZDPENGDES-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001283901207 1326309859 /nfs/dbraw/zinc/30/98/59/1326309859.db2.gz ZUXZEGIMPUDTSW-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001284017460 1326364734 /nfs/dbraw/zinc/36/47/34/1326364734.db2.gz OKOGBJZWVIOQHW-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001284212793 1326462381 /nfs/dbraw/zinc/46/23/81/1326462381.db2.gz UOAPHAPDKRNLBJ-STQMWFEESA-N 2 0 335.414 2.155 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001491638384 1330193179 /nfs/dbraw/zinc/19/31/79/1330193179.db2.gz NVEMANSRAUMCED-WMZOPIPTSA-N 2 0 347.503 2.410 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001491650823 1330198884 /nfs/dbraw/zinc/19/88/84/1330198884.db2.gz SQJMMGOZIYQJNA-PXAZEXFGSA-N 2 0 339.430 2.388 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001491603090 1330200696 /nfs/dbraw/zinc/20/06/96/1330200696.db2.gz QLYQUDNTHVKMGR-SJORKVTESA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491955701 1330347497 /nfs/dbraw/zinc/34/74/97/1330347497.db2.gz DAXBPWKYRUOTSD-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001316680388 1331311956 /nfs/dbraw/zinc/31/19/56/1331311956.db2.gz QWVFAXWJODVBIE-SJLPKXTDSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001316689121 1331340668 /nfs/dbraw/zinc/34/06/68/1331340668.db2.gz SGKGZQMVJNDYFW-NVXWUHKLSA-N 2 0 348.491 2.123 10 0 EEAERP C[C@H](c1cnccn1)[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001316853510 1331469273 /nfs/dbraw/zinc/46/92/73/1331469273.db2.gz GLGPKSJASWXVOQ-SJORKVTESA-N 2 0 347.507 2.240 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@H]1CCC(F)(F)C1 ZINC001316823534 1331856970 /nfs/dbraw/zinc/85/69/70/1331856970.db2.gz FCTRVDXXLGDQAL-HOCLYGCPSA-N 2 0 343.462 2.202 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001316824293 1331914696 /nfs/dbraw/zinc/91/46/96/1331914696.db2.gz QFRJGYRTGBHUSQ-FVDXIBTGSA-N 2 0 329.488 2.478 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)CCc2ccccc2F)CCC1 ZINC001316829864 1331919901 /nfs/dbraw/zinc/91/99/01/1331919901.db2.gz KWJARKGDLGYNTK-UHFFFAOYSA-N 2 0 335.467 2.291 10 0 EEAERP CC(C)c1cccc(C[N@H+](C)CCCNC(=O)C[NH+]2CC[C@@H](C)C2)n1 ZINC001316851013 1331934643 /nfs/dbraw/zinc/93/46/43/1331934643.db2.gz OFPWMROJDCYXCI-QGZVFWFLSA-N 2 0 346.519 2.485 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001316854893 1331937839 /nfs/dbraw/zinc/93/78/39/1331937839.db2.gz XCKLETLPFLKPLD-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317192102 1332124064 /nfs/dbraw/zinc/12/40/64/1332124064.db2.gz IESVZAMROMVNNA-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317339512 1332185667 /nfs/dbraw/zinc/18/56/67/1332185667.db2.gz SEICTZGARGPVOU-VQIMIIECSA-N 2 0 339.499 2.437 10 0 EEAERP CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001317366531 1332197815 /nfs/dbraw/zinc/19/78/15/1332197815.db2.gz OHMMOYJRRDFTIF-RBUKOAKNSA-N 2 0 329.488 2.472 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1)[NH+](C)C ZINC001317433527 1332237272 /nfs/dbraw/zinc/23/72/72/1332237272.db2.gz FJNPIGCVVAKAKQ-MSOLQXFVSA-N 2 0 332.492 2.283 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC001317436143 1332240316 /nfs/dbraw/zinc/24/03/16/1332240316.db2.gz WMHFQBYZFLXMTL-CQSZACIVSA-N 2 0 335.414 2.395 10 0 EEAERP CCc1cccc(OCC[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001317590186 1332312602 /nfs/dbraw/zinc/31/26/02/1332312602.db2.gz XBZSEIZUTNXPLZ-VQIMIIECSA-N 2 0 347.503 2.016 10 0 EEAERP CN(CC[NH2+]CCCc1cccc(F)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317601225 1332319598 /nfs/dbraw/zinc/31/95/98/1332319598.db2.gz TZTLMNFSQPNRSS-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP C[C@H]1C[C@H](C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001317661804 1332356303 /nfs/dbraw/zinc/35/63/03/1332356303.db2.gz ZKJCTCJCGSYFKR-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncccc1C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001317709188 1332382814 /nfs/dbraw/zinc/38/28/14/1332382814.db2.gz VHYQSVORDFLQAO-SFHVURJKSA-N 2 0 332.492 2.058 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001318446869 1332539304 /nfs/dbraw/zinc/53/93/04/1332539304.db2.gz ZKJUMWYVVAVONL-GOSISDBHSA-N 2 0 345.487 2.084 10 0 EEAERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318531488 1332556718 /nfs/dbraw/zinc/55/67/18/1332556718.db2.gz UFMAXYHNCFJMDA-CQSZACIVSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cc(C)no2)C1)[NH+](C)C ZINC001318835903 1332607827 /nfs/dbraw/zinc/60/78/27/1332607827.db2.gz JNSPRGSGRQNRCO-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)on1 ZINC001318895453 1332619069 /nfs/dbraw/zinc/61/90/69/1332619069.db2.gz HTFIJOCKHQNHGJ-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001319238065 1332669188 /nfs/dbraw/zinc/66/91/88/1332669188.db2.gz OBKZNPFOKUAKRH-XJKSGUPXSA-N 2 0 340.899 2.163 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001320447730 1332885885 /nfs/dbraw/zinc/88/58/85/1332885885.db2.gz SVVDMTPDARBFJH-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)CC[NH+](C)C ZINC001320535020 1332905699 /nfs/dbraw/zinc/90/56/99/1332905699.db2.gz NVCRGBBSUDLMTM-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001320570137 1332912783 /nfs/dbraw/zinc/91/27/83/1332912783.db2.gz NHWSFHIKCSMJGI-WMZOPIPTSA-N 2 0 349.523 2.150 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001320646426 1332928572 /nfs/dbraw/zinc/92/85/72/1332928572.db2.gz XRPFESQXFBBKPB-AWEZNQCLSA-N 2 0 336.480 2.152 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320928421 1332980949 /nfs/dbraw/zinc/98/09/49/1332980949.db2.gz KGSMYYJZJIDGFW-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001321653211 1333138543 /nfs/dbraw/zinc/13/85/43/1333138543.db2.gz XMPUYVDVVUYDQI-QRQLOZEOSA-N 2 0 331.504 2.472 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001321695351 1333144430 /nfs/dbraw/zinc/14/44/30/1333144430.db2.gz CBWZTLVFSUDMCV-GOSISDBHSA-N 2 0 347.503 2.200 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001322693890 1333308568 /nfs/dbraw/zinc/30/85/68/1333308568.db2.gz MADKBZBVCIDJLO-UHFFFAOYSA-N 2 0 338.471 2.137 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1ccncc1Cl ZINC001322843649 1333338928 /nfs/dbraw/zinc/33/89/28/1333338928.db2.gz FJTRFEYHMKEEPE-UHFFFAOYSA-N 2 0 326.872 2.013 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC001323531385 1333483368 /nfs/dbraw/zinc/48/33/68/1333483368.db2.gz XAYQPLGNGNTNPL-CYBMUJFWSA-N 2 0 348.318 2.151 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCc2ccsc2)C1 ZINC001324277522 1333647930 /nfs/dbraw/zinc/64/79/30/1333647930.db2.gz PPSNVGYHCOGKLH-IAGOWNOFSA-N 2 0 335.517 2.213 10 0 EEAERP CC(C)OCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324749787 1333751809 /nfs/dbraw/zinc/75/18/09/1333751809.db2.gz BUOPBHXJFDQEGM-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001326302049 1334063502 /nfs/dbraw/zinc/06/35/02/1334063502.db2.gz FPRVESCMSORVMP-QAPCUYQASA-N 2 0 348.466 2.033 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001326429153 1334091971 /nfs/dbraw/zinc/09/19/71/1334091971.db2.gz AEXGRAOIJAIGLA-VQTJNVASSA-N 2 0 343.515 2.317 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCOCC1)[NH+](C)C ZINC001327669248 1334330670 /nfs/dbraw/zinc/33/06/70/1334330670.db2.gz FUROYLJPJVBXLX-INIZCTEOSA-N 2 0 341.540 2.408 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCC3=CCCCC3)CCOCC2)C1 ZINC001327671596 1334331149 /nfs/dbraw/zinc/33/11/49/1334331149.db2.gz RRLGYFQPKJECOK-GOSISDBHSA-N 2 0 349.519 2.084 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001331326932 1334997104 /nfs/dbraw/zinc/99/71/04/1334997104.db2.gz VSHXIIYSFOLJGC-OCCSQVGLSA-N 2 0 335.414 2.107 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001331485369 1335021978 /nfs/dbraw/zinc/02/19/78/1335021978.db2.gz AXOKHDOPNJUXBF-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001331535530 1335032929 /nfs/dbraw/zinc/03/29/29/1335032929.db2.gz UGINCCSLLDUFMP-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001331616704 1335046306 /nfs/dbraw/zinc/04/63/06/1335046306.db2.gz QATIVDAJZAQWBU-SFHVURJKSA-N 2 0 343.515 2.460 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001332206948 1335767236 /nfs/dbraw/zinc/76/72/36/1335767236.db2.gz QICPBOIHIJCIRJ-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001667459362 1355744892 /nfs/dbraw/zinc/74/48/92/1355744892.db2.gz TVPGUWRCVHLGIV-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001668196064 1355896187 /nfs/dbraw/zinc/89/61/87/1355896187.db2.gz CRRLQVPCTRCVEB-HNNXBMFYSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214682 1355900710 /nfs/dbraw/zinc/90/07/10/1355900710.db2.gz NGRHGNWFLLZXAI-CVEARBPZSA-N 2 0 335.467 2.194 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001436378487 1342060351 /nfs/dbraw/zinc/06/03/51/1342060351.db2.gz MIMIJJYZOCXPIV-ULQDDVLXSA-N 2 0 348.491 2.150 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001436384625 1342063733 /nfs/dbraw/zinc/06/37/33/1342063733.db2.gz YKRBLKUFQPIPFP-QBPKDAKJSA-N 2 0 327.488 2.339 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCCOC)C2)C1 ZINC001500251458 1342112350 /nfs/dbraw/zinc/11/23/50/1342112350.db2.gz PTYBFZFJDQELSG-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566871572 1342643814 /nfs/dbraw/zinc/64/38/14/1342643814.db2.gz GFGHQMAFMOOCLI-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001566893753 1342647766 /nfs/dbraw/zinc/64/77/66/1342647766.db2.gz NXKUBTILEGVURU-VFQMKTJOSA-N 2 0 327.900 2.297 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001566928510 1342654200 /nfs/dbraw/zinc/65/42/00/1342654200.db2.gz JHIYFFWZZYGCIC-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001567261511 1342726335 /nfs/dbraw/zinc/72/63/35/1342726335.db2.gz LBRDHNLFOGNFLZ-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001567516437 1342776572 /nfs/dbraw/zinc/77/65/72/1342776572.db2.gz UAHAWFYZRGNQKB-CABCVRRESA-N 2 0 329.435 2.097 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nocc1C ZINC001676022021 1357090249 /nfs/dbraw/zinc/09/02/49/1357090249.db2.gz BOWGUYOINWDSHF-DOTOQJQBSA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001569647797 1342916800 /nfs/dbraw/zinc/91/68/00/1342916800.db2.gz NCYLCHHKIOMVFB-AZUAARDMSA-N 2 0 347.503 2.376 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001571416428 1343207556 /nfs/dbraw/zinc/20/75/56/1343207556.db2.gz ITFPBNDSHUTSQU-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001676951499 1357248108 /nfs/dbraw/zinc/24/81/08/1357248108.db2.gz KDXRZZACSJESNM-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP C[NH+]1CCC(OCC(=O)OC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001650494481 1353952830 /nfs/dbraw/zinc/95/28/30/1353952830.db2.gz JRYVTUWACLLEAC-KRWDZBQOSA-N 2 0 338.492 2.438 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001656447300 1354237846 /nfs/dbraw/zinc/23/78/46/1354237846.db2.gz GHDKNGPYDSJJQR-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001656889623 1354294592 /nfs/dbraw/zinc/29/45/92/1354294592.db2.gz NAOBAABNHDLZLR-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCCCF ZINC001657008227 1354308940 /nfs/dbraw/zinc/30/89/40/1354308940.db2.gz VECREGXBHUJEPC-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC001660408733 1354459484 /nfs/dbraw/zinc/45/94/84/1354459484.db2.gz MRLAUVXHENKUNV-KBPBESRZSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H]([NH2+]CCOC1CCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001660476250 1354470541 /nfs/dbraw/zinc/47/05/41/1354470541.db2.gz UFWFNXJMXSPRNU-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCc1cccs1 ZINC001660529075 1354481949 /nfs/dbraw/zinc/48/19/49/1354481949.db2.gz LXXZWRBKAURCCI-SFHVURJKSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1cccnc1C[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660744215 1354530258 /nfs/dbraw/zinc/53/02/58/1354530258.db2.gz CBZQKMORUSCPCV-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001660855263 1354551435 /nfs/dbraw/zinc/55/14/35/1354551435.db2.gz DDORHNXXOKWYRU-HKUYNNGSSA-N 2 0 349.519 2.036 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC/C=C\c3ccccc3)C2)C1 ZINC001661375054 1354632610 /nfs/dbraw/zinc/63/26/10/1354632610.db2.gz SSRUQAPZRXEWRF-CVLYKSAASA-N 2 0 327.472 2.232 10 0 EEAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001661623553 1354666058 /nfs/dbraw/zinc/66/60/58/1354666058.db2.gz ONWWXNWHVVJZRE-GASCZTMLSA-N 2 0 325.416 2.084 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662779708 1354845065 /nfs/dbraw/zinc/84/50/65/1354845065.db2.gz POOPVGZJZBAMNS-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCc2ccc(C)cc2)CC[N@@H+]1C ZINC001663942812 1355057928 /nfs/dbraw/zinc/05/79/28/1355057928.db2.gz YGXODWZHCPYCIW-RBUKOAKNSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001664195644 1355110637 /nfs/dbraw/zinc/11/06/37/1355110637.db2.gz PIEZRMKMBOXERM-JQHSSLGASA-N 2 0 335.467 2.128 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001666119734 1355457327 /nfs/dbraw/zinc/45/73/27/1355457327.db2.gz FVJCCYXORMHYAX-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP CO[C@@H](C)C[NH2+]CCC1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001666218992 1355487956 /nfs/dbraw/zinc/48/79/56/1355487956.db2.gz JVIAVJIVQBTZKW-AWEZNQCLSA-N 2 0 344.459 2.430 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001666287449 1355503423 /nfs/dbraw/zinc/50/34/23/1355503423.db2.gz XQDNRZSFAPUFRK-QAQDUYKDSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CCCF ZINC001666605748 1355552674 /nfs/dbraw/zinc/55/26/74/1355552674.db2.gz NKYPMVBSVCJICI-WBVHZDCISA-N 2 0 327.488 2.485 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1 ZINC001667306881 1355705188 /nfs/dbraw/zinc/70/51/88/1355705188.db2.gz KWDFECHIUQVSRE-SFHVURJKSA-N 2 0 330.476 2.038 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112121 1355872803 /nfs/dbraw/zinc/87/28/03/1355872803.db2.gz ATQOXUVDHGNAGD-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274398 1355913393 /nfs/dbraw/zinc/91/33/93/1355913393.db2.gz RMHWTEUBKAPELU-LSDHHAIUSA-N 2 0 344.459 2.154 10 0 EEAERP Cc1cc(C)cc(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001668274325 1355913710 /nfs/dbraw/zinc/91/37/10/1355913710.db2.gz PZYLVQVDLWWGOP-KRWDZBQOSA-N 2 0 329.488 2.384 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668426277 1355938589 /nfs/dbraw/zinc/93/85/89/1355938589.db2.gz FFUHNROPIQUASP-MRXNPFEDSA-N 2 0 336.480 2.102 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1scnc1C ZINC001668854141 1356023997 /nfs/dbraw/zinc/02/39/97/1356023997.db2.gz PDKBYLLRZOJRRY-RGDDUWESSA-N 2 0 336.505 2.088 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001668872598 1356031220 /nfs/dbraw/zinc/03/12/20/1356031220.db2.gz KPFMJOSCYYSKJR-UEKDZROGSA-N 2 0 345.487 2.065 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669140207 1356105401 /nfs/dbraw/zinc/10/54/01/1356105401.db2.gz WULUNZSNSQIZHK-RXYHWBRQSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669716331 1356198884 /nfs/dbraw/zinc/19/88/84/1356198884.db2.gz VEGIGJOFRPJOET-HOCLYGCPSA-N 2 0 337.895 2.319 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001669749788 1356202339 /nfs/dbraw/zinc/20/23/39/1356202339.db2.gz ATHMBDFZRGPOQC-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001671558979 1356362209 /nfs/dbraw/zinc/36/22/09/1356362209.db2.gz LLCOBRCTJIUVEJ-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001672334445 1356503082 /nfs/dbraw/zinc/50/30/82/1356503082.db2.gz OYFBBUVEIZYWBV-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP Cc1c(C(=O)N(CCO)CC[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001672640808 1356561822 /nfs/dbraw/zinc/56/18/22/1356561822.db2.gz JMCCNNOYRZFLMN-UHFFFAOYSA-N 2 0 346.475 2.103 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001672816914 1356591609 /nfs/dbraw/zinc/59/16/09/1356591609.db2.gz ZCIIERZWIZTICZ-MAUKXSAKSA-N 2 0 348.491 2.050 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)ns2)C1)[NH+](C)C ZINC001672897983 1356610273 /nfs/dbraw/zinc/61/02/73/1356610273.db2.gz YYRKHPNXDRLGPC-HOCLYGCPSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001672917723 1356614507 /nfs/dbraw/zinc/61/45/07/1356614507.db2.gz YRLRTVPOHIZKEY-GOSISDBHSA-N 2 0 346.519 2.367 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001673922728 1356760453 /nfs/dbraw/zinc/76/04/53/1356760453.db2.gz CCUHGUXXTVZCGB-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCCCF ZINC001674141259 1356796748 /nfs/dbraw/zinc/79/67/48/1356796748.db2.gz KFNFCALFLSUALO-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674500006 1356848665 /nfs/dbraw/zinc/84/86/65/1356848665.db2.gz ULASZHUGDYJNAT-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001674804657 1356899238 /nfs/dbraw/zinc/89/92/38/1356899238.db2.gz PJOYRKREEUGNFC-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[NH+](CCCCCF)C2 ZINC001675653644 1357029257 /nfs/dbraw/zinc/02/92/57/1357029257.db2.gz AKDVUVXUDIXHNQ-MRXNPFEDSA-N 2 0 325.472 2.145 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)no1 ZINC001698904679 1405144471 /nfs/dbraw/zinc/14/44/71/1405144471.db2.gz KOCPYAUNDPKLSK-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698954416 1405187026 /nfs/dbraw/zinc/18/70/26/1405187026.db2.gz UEFYXINAWSSWCQ-VQIMIIECSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl)[NH+](C)C ZINC001699366207 1405341625 /nfs/dbraw/zinc/34/16/25/1405341625.db2.gz FGPSAIXUSQMLRC-UPJWGTAASA-N 2 0 338.323 2.251 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)on1 ZINC001699545513 1405379536 /nfs/dbraw/zinc/37/95/36/1405379536.db2.gz SUEDLRTVHIMEQT-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+]1CCN(C[C@@H]([NH2+]CC2(O)CCCCC2)c2ccccc2)CC1 ZINC000819011165 785363333 /nfs/dbraw/zinc/36/33/33/785363333.db2.gz RIBUBPCKIQPGHJ-LJQANCHMSA-N 2 0 331.504 2.260 10 0 EEAERP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912808225 788367685 /nfs/dbraw/zinc/36/76/85/788367685.db2.gz VTANUOARUXXVIU-MAUKXSAKSA-N 2 0 332.492 2.336 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1 ZINC000912919497 788477782 /nfs/dbraw/zinc/47/77/82/788477782.db2.gz MGMFIROUQHTVCJ-GOSISDBHSA-N 2 0 345.487 2.327 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711344581 788728367 /nfs/dbraw/zinc/72/83/67/788728367.db2.gz SXOUPJUTYTXEOT-NJAFHUGGSA-N 2 0 329.488 2.116 10 0 EEAERP C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711364842 788802588 /nfs/dbraw/zinc/80/25/88/788802588.db2.gz BPOUJGUHAISGJN-JQHSSLGASA-N 2 0 329.488 2.259 10 0 EEAERP Brc1cnn(C2CC[NH+](CCC[NH2+]C3CC3)CC2)c1 ZINC000923313502 789351530 /nfs/dbraw/zinc/35/15/30/789351530.db2.gz SNOOEVMDLLUQMV-UHFFFAOYSA-N 2 0 327.270 2.425 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)CC1CC1 ZINC000923370623 789448235 /nfs/dbraw/zinc/44/82/35/789448235.db2.gz GZYMATOOEUQMOR-IBGZPJMESA-N 3 0 335.536 2.199 10 0 EEAERP O=S1(=O)Cc2ccccc2[C@@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923397386 789493402 /nfs/dbraw/zinc/49/34/02/789493402.db2.gz CTFRPOCOMUEGJR-NZZOQPFGSA-N 2 0 334.485 2.166 10 0 EEAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447970 789560564 /nfs/dbraw/zinc/56/05/64/789560564.db2.gz YVBIIKYDDXEFOW-NUJGCVRESA-N 2 0 345.487 2.082 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000923449013 789561694 /nfs/dbraw/zinc/56/16/94/789561694.db2.gz JMTMSHTZYILSEM-GOSISDBHSA-N 2 0 344.434 2.341 10 0 EEAERP c1ccc(COc2ccccc2CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459509 789578697 /nfs/dbraw/zinc/57/86/97/789578697.db2.gz CYPABYFMRPRDHV-UHFFFAOYSA-N 2 0 325.456 2.260 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000923449347 789579740 /nfs/dbraw/zinc/57/97/40/789579740.db2.gz MPOBOINUYYPBSA-OAHLLOKOSA-N 2 0 334.851 2.318 10 0 EEAERP CCOc1ccccc1OCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449998 789580715 /nfs/dbraw/zinc/58/07/15/789580715.db2.gz SENHLJRPZIBWMY-MRXNPFEDSA-N 2 0 334.460 2.294 10 0 EEAERP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453447 789587151 /nfs/dbraw/zinc/58/71/51/789587151.db2.gz MLWSNUZSGQPTJG-IAGOWNOFSA-N 2 0 345.487 2.460 10 0 EEAERP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923479482 789640608 /nfs/dbraw/zinc/64/06/08/789640608.db2.gz PRCFGHTUEKXRMS-VXGBXAGGSA-N 2 0 333.259 2.404 10 0 EEAERP CC[C@@](O)(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000929418886 792063145 /nfs/dbraw/zinc/06/31/45/792063145.db2.gz OMEROLOCZFXKCL-OAHLLOKOSA-N 2 0 338.414 2.124 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nc2ccccn2c1Br ZINC000903979048 796329916 /nfs/dbraw/zinc/32/99/16/796329916.db2.gz TXSPMIJPDRCDJH-VXGBXAGGSA-N 2 0 337.265 2.432 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3OCC4)cc2)C1 ZINC000922240314 800015768 /nfs/dbraw/zinc/01/57/68/800015768.db2.gz NSLKTDQKMWYLFZ-HXUWFJFHSA-N 2 0 338.451 2.478 10 0 EEAERP CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000922323696 800565772 /nfs/dbraw/zinc/56/57/72/800565772.db2.gz FYSWSLXWIQOLMO-UHFFFAOYSA-N 2 0 332.492 2.481 10 0 EEAERP COCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566072086 1125546034 /nfs/dbraw/zinc/54/60/34/1125546034.db2.gz QHPSRKHNBVIBPT-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1cnccc1C ZINC001566550735 1125722419 /nfs/dbraw/zinc/72/24/19/1125722419.db2.gz STIBIOFBIVKIRQ-IBGZPJMESA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCOCC1 ZINC001436663789 1088092716 /nfs/dbraw/zinc/09/27/16/1088092716.db2.gz HJZGFYGLNPESHG-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001436699073 1088160984 /nfs/dbraw/zinc/16/09/84/1088160984.db2.gz LXQRLUHEWPGACO-DLBZAZTESA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001436791969 1088355529 /nfs/dbraw/zinc/35/55/29/1088355529.db2.gz AFPAKNNHBSUYOX-ZBFHGGJFSA-N 2 0 325.472 2.095 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)c1 ZINC001436801528 1088378862 /nfs/dbraw/zinc/37/88/62/1088378862.db2.gz ULUDFLGLFPOOSX-OALUTQOASA-N 2 0 329.488 2.464 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC001436805653 1088388120 /nfs/dbraw/zinc/38/81/20/1088388120.db2.gz BUUFHIDZJQGFMA-AFAVFJNCSA-N 2 0 348.491 2.006 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001436904847 1088559588 /nfs/dbraw/zinc/55/95/88/1088559588.db2.gz VDZBKWRRCSRWDS-KDBXVIQISA-N 2 0 334.291 2.417 10 0 EEAERP CCc1cnc(CN2CCCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001437049137 1088936290 /nfs/dbraw/zinc/93/62/90/1088936290.db2.gz ZGJBWQWASBYDSJ-HNNXBMFYSA-N 2 0 336.480 2.048 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nocc2C)C1)[NH+](CC)CC ZINC001437313779 1089473846 /nfs/dbraw/zinc/47/38/46/1089473846.db2.gz QXOFJCFSKCPQRV-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)co1 ZINC001437332716 1089516537 /nfs/dbraw/zinc/51/65/37/1089516537.db2.gz VWDHCJKSDITAMH-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001437336907 1089525350 /nfs/dbraw/zinc/52/53/50/1089525350.db2.gz MPKOLOSBBSMKDL-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1csc(C)n1 ZINC001437379817 1089625188 /nfs/dbraw/zinc/62/51/88/1089625188.db2.gz HWJUCKKMDFEZMD-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001437379659 1089625417 /nfs/dbraw/zinc/62/54/17/1089625417.db2.gz CKWHLBMECWHQRP-CABCVRRESA-N 2 0 336.480 2.267 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001437384381 1089633689 /nfs/dbraw/zinc/63/36/89/1089633689.db2.gz TXLKRMWSJVGFDQ-CQSZACIVSA-N 2 0 332.492 2.167 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cccnc1 ZINC001437765979 1090346953 /nfs/dbraw/zinc/34/69/53/1090346953.db2.gz UJBSMSJLNNUUOM-MOPGFXCFSA-N 2 0 344.503 2.427 10 0 EEAERP C[NH+](C)CCC(=O)NCC[N@H+](Cc1cc2ccccc2o1)C1CC1 ZINC001437810935 1090403060 /nfs/dbraw/zinc/40/30/60/1090403060.db2.gz ZBSLEUOGFVSKAZ-UHFFFAOYSA-N 2 0 329.444 2.465 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccnc1 ZINC001438337547 1090813490 /nfs/dbraw/zinc/81/34/90/1090813490.db2.gz CSQNFWHWPAOWIH-WMZOPIPTSA-N 2 0 332.492 2.331 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001438373773 1090852789 /nfs/dbraw/zinc/85/27/89/1090852789.db2.gz UWTSFHSUPMUTBW-NWDGAFQWSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]Cc1cncs1)NC(=O)CC[NH+](C)C ZINC001438433991 1090935545 /nfs/dbraw/zinc/93/55/45/1090935545.db2.gz WKTGCMOWIXLPBS-WMLDXEAASA-N 2 0 338.521 2.250 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC(C)(C)C)CCO1 ZINC001438576604 1091063866 /nfs/dbraw/zinc/06/38/66/1091063866.db2.gz XWZKZNMDSBWAEC-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCOCC1 ZINC001438693821 1091195861 /nfs/dbraw/zinc/19/58/61/1091195861.db2.gz NPEFIXWVHHWLMI-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438707384 1091219253 /nfs/dbraw/zinc/21/92/53/1091219253.db2.gz FKDWWLWFOUYRKZ-IAGOWNOFSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001445555943 1091328093 /nfs/dbraw/zinc/32/80/93/1091328093.db2.gz AIVKVFIEQZRNEE-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP COc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1C ZINC001438797761 1091402752 /nfs/dbraw/zinc/40/27/52/1091402752.db2.gz PGWZSFCLGJHFLX-MSOLQXFVSA-N 2 0 347.503 2.328 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)C)o1 ZINC001438797818 1091402971 /nfs/dbraw/zinc/40/29/71/1091402971.db2.gz AVKYMITVRDCEKL-DLBZAZTESA-N 2 0 336.480 2.086 10 0 EEAERP C[C@H]1C[C@@H](C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001438939207 1091623213 /nfs/dbraw/zinc/62/32/13/1091623213.db2.gz SJPNCBWQHIGOHF-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001439108592 1091753282 /nfs/dbraw/zinc/75/32/82/1091753282.db2.gz JNGMQSICKDTYID-GPMSIDNRSA-N 2 0 347.503 2.408 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001439255315 1091905562 /nfs/dbraw/zinc/90/55/62/1091905562.db2.gz QOVZLUHGBPZKSS-INIZCTEOSA-N 2 0 348.535 2.325 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001446132612 1092181945 /nfs/dbraw/zinc/18/19/45/1092181945.db2.gz ZRVWEAWMGVFLMA-PMACEKPBSA-N 2 0 343.515 2.460 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001439498890 1092333197 /nfs/dbraw/zinc/33/31/97/1092333197.db2.gz QOPXLKYUVHCTJJ-MSOLQXFVSA-N 2 0 348.466 2.080 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001439854454 1092875281 /nfs/dbraw/zinc/87/52/81/1092875281.db2.gz SDHMOMQCEZBJIK-LPHOPBHVSA-N 2 0 333.520 2.489 10 0 EEAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCCC2CCOCC2)C1)[NH+](C)C ZINC001439858881 1092888210 /nfs/dbraw/zinc/88/82/10/1092888210.db2.gz NPOOHKMCZHVONH-IEBWSBKVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001439904340 1092967795 /nfs/dbraw/zinc/96/77/95/1092967795.db2.gz YMPVYIOFWTUIKG-WMZOPIPTSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001439964893 1093077014 /nfs/dbraw/zinc/07/70/14/1093077014.db2.gz QEFWJGWDFHIGIT-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001440123858 1093184126 /nfs/dbraw/zinc/18/41/26/1093184126.db2.gz NHILLOVLWLFJEV-UKRRQHHQSA-N 2 0 331.451 2.199 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]Cc1ccon1 ZINC001440137906 1093202781 /nfs/dbraw/zinc/20/27/81/1093202781.db2.gz RGGGRRFENSQUQX-IRXDYDNUSA-N 2 0 348.491 2.125 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1cccnc1C)CC2 ZINC001440238433 1093324765 /nfs/dbraw/zinc/32/47/65/1093324765.db2.gz KINTWSBRUQPTSF-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21)c1ccccc1 ZINC001448433593 1093445904 /nfs/dbraw/zinc/44/59/04/1093445904.db2.gz FAAMZGYRWLBKAL-OKYOBFRVSA-N 2 0 329.488 2.382 10 0 EEAERP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001440385985 1093558799 /nfs/dbraw/zinc/55/87/99/1093558799.db2.gz TZMCEPSMQBSLGU-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001440429917 1093630259 /nfs/dbraw/zinc/63/02/59/1093630259.db2.gz OTNCFXRHLHBLLP-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCCF)[C@H]3C2(C)C)CC1 ZINC001440441066 1093648165 /nfs/dbraw/zinc/64/81/65/1093648165.db2.gz JTFPDNXKOKCSDB-ARFHVFGLSA-N 2 0 339.499 2.293 10 0 EEAERP CC(C)CCCN1CC2(C1)C[C@H](NC(=O)C[C@@H](C)n1ccnc1)CO2 ZINC001440510839 1093756594 /nfs/dbraw/zinc/75/65/94/1093756594.db2.gz NWJBLQDFMMWFIS-SJORKVTESA-N 2 0 348.491 2.230 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001440517629 1093767298 /nfs/dbraw/zinc/76/72/98/1093767298.db2.gz RGLOVLBMFIYKFR-CVEARBPZSA-N 2 0 327.488 2.389 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cncs2)C1 ZINC001448714943 1093786792 /nfs/dbraw/zinc/78/67/92/1093786792.db2.gz ZCDFGVBLKPWPDZ-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP CC[N@H+](CC[C@H](C)F)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001440707560 1093956343 /nfs/dbraw/zinc/95/63/43/1093956343.db2.gz SPWQBHVGORQAHG-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001440756220 1093998799 /nfs/dbraw/zinc/99/87/99/1093998799.db2.gz IVSDUSLIIRANHL-DNOWBOINSA-N 2 0 339.430 2.462 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC001449051569 1094065303 /nfs/dbraw/zinc/06/53/03/1094065303.db2.gz HDSUGGHDKLRACG-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440824279 1094077300 /nfs/dbraw/zinc/07/73/00/1094077300.db2.gz BEPNFCBSIQWIKI-KBPBESRZSA-N 2 0 338.471 2.181 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001440835156 1094087578 /nfs/dbraw/zinc/08/75/78/1094087578.db2.gz MDYFKRUSOGNUSX-STQMWFEESA-N 2 0 327.419 2.289 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001440986552 1094250780 /nfs/dbraw/zinc/25/07/80/1094250780.db2.gz KEGFKHZQDFFPAZ-WBVHZDCISA-N 2 0 336.480 2.182 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)C1 ZINC001449328842 1094280790 /nfs/dbraw/zinc/28/07/90/1094280790.db2.gz ZYTRLNKQHORYNN-DZGCQCFKSA-N 2 0 345.478 2.494 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC001441015121 1094294923 /nfs/dbraw/zinc/29/49/23/1094294923.db2.gz URTMKGJYNHFLCU-LBPRGKRZSA-N 2 0 329.897 2.434 10 0 EEAERP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)c(C)n1 ZINC001449390751 1094366799 /nfs/dbraw/zinc/36/67/99/1094366799.db2.gz XZHDWEFWGWXZGK-ACBHZAAOSA-N 2 0 346.519 2.364 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001441110403 1094424022 /nfs/dbraw/zinc/42/40/22/1094424022.db2.gz OMYMWVMFACQOEG-NVXWUHKLSA-N 2 0 335.879 2.470 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001441292487 1094726851 /nfs/dbraw/zinc/72/68/51/1094726851.db2.gz GVFKTLAUHBLOMN-JKSUJKDBSA-N 2 0 343.462 2.391 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001441491673 1095171126 /nfs/dbraw/zinc/17/11/26/1095171126.db2.gz WBABRRIQHGBEQM-MHZDEOFMSA-N 2 0 340.270 2.222 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001441531318 1095242958 /nfs/dbraw/zinc/24/29/58/1095242958.db2.gz QPMLEORPOUGJQM-ZFWWWQNUSA-N 2 0 338.521 2.261 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001441532630 1095244937 /nfs/dbraw/zinc/24/49/37/1095244937.db2.gz XOWLGDWUYYAWKA-SOUVJXGZSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001441571592 1095342735 /nfs/dbraw/zinc/34/27/35/1095342735.db2.gz URBANIPPALBEDC-JYJNAYRXSA-N 2 0 337.533 2.457 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441578210 1095373164 /nfs/dbraw/zinc/37/31/64/1095373164.db2.gz DLHWXDPQXPMOHC-ZWKOTPCHSA-N 2 0 344.503 2.060 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)cs1 ZINC001441658542 1095624449 /nfs/dbraw/zinc/62/44/49/1095624449.db2.gz OCDWZXRIBMUDBU-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001441893604 1096037119 /nfs/dbraw/zinc/03/71/19/1096037119.db2.gz DLVOGWXVBLDCNB-HUUCEWRRSA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC001442060612 1096273043 /nfs/dbraw/zinc/27/30/43/1096273043.db2.gz GDTCOTGZRPDNAD-MLGOLLRUSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001442130974 1096372415 /nfs/dbraw/zinc/37/24/15/1096372415.db2.gz YTKXTPHEMOBWED-GOSISDBHSA-N 2 0 346.519 2.401 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3cncs3)C2)CCC1 ZINC001442170696 1096435163 /nfs/dbraw/zinc/43/51/63/1096435163.db2.gz CYCCQRSAWKFWSP-UONOGXRCSA-N 2 0 336.505 2.144 10 0 EEAERP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001442209947 1096498895 /nfs/dbraw/zinc/49/88/95/1096498895.db2.gz PBGBUYJUKFXANO-AWEZNQCLSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C1CC[NH+](CCF)CC1 ZINC001442214054 1096504842 /nfs/dbraw/zinc/50/48/42/1096504842.db2.gz CVYWYDGJTCKBLI-KRWDZBQOSA-N 2 0 349.494 2.347 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001442340719 1096663731 /nfs/dbraw/zinc/66/37/31/1096663731.db2.gz SQNDJLSEJOPTSX-LLVKDONJSA-N 2 0 332.901 2.121 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001442578054 1096942163 /nfs/dbraw/zinc/94/21/63/1096942163.db2.gz SPCJQRQKUXNGNZ-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442847076 1097237893 /nfs/dbraw/zinc/23/78/93/1097237893.db2.gz NFGMYSKJYZIRDY-SFHVURJKSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001442883870 1097278813 /nfs/dbraw/zinc/27/88/13/1097278813.db2.gz DFEUFDGPKQTTIF-AZUAARDMSA-N 2 0 343.515 2.399 10 0 EEAERP CN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001443081658 1097494920 /nfs/dbraw/zinc/49/49/20/1097494920.db2.gz UMXUUARDXVXLDU-OALUTQOASA-N 2 0 345.462 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH+](C)CCCF)C2)C1 ZINC001443320512 1097809496 /nfs/dbraw/zinc/80/94/96/1097809496.db2.gz IVUBUVWXAZVPMV-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001443653897 1098152231 /nfs/dbraw/zinc/15/22/31/1098152231.db2.gz QFMPJKIJCDGXRV-QRQLOZEOSA-N 2 0 333.520 2.347 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccnc1C)[NH+](CC)CC ZINC001443681721 1098185212 /nfs/dbraw/zinc/18/52/12/1098185212.db2.gz XISNEHFZQAPROM-GBESFXJTSA-N 2 0 344.503 2.296 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc(C)c(C)s1 ZINC001443917271 1098438304 /nfs/dbraw/zinc/43/83/04/1098438304.db2.gz MSVITQXHWQAFMR-VHDGCEQUSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001443980350 1098496893 /nfs/dbraw/zinc/49/68/93/1098496893.db2.gz IJWFGMXVMHTEIF-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1F ZINC001444046122 1098570636 /nfs/dbraw/zinc/57/06/36/1098570636.db2.gz YMMDDZIETHTGBF-OAHLLOKOSA-N 2 0 337.414 2.045 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2cscn2)CCCC1 ZINC001444074004 1098598799 /nfs/dbraw/zinc/59/87/99/1098598799.db2.gz PUPJEJVMOZFRKA-HNNXBMFYSA-N 2 0 336.505 2.146 10 0 EEAERP COCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001479586956 1098620073 /nfs/dbraw/zinc/62/00/73/1098620073.db2.gz UNZRZKBDPGFOON-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCCCOC)C1)[NH+](C)C ZINC001479693082 1098758617 /nfs/dbraw/zinc/75/86/17/1098758617.db2.gz UQNYLGAXQIWAQA-IRXDYDNUSA-N 2 0 327.513 2.114 10 0 EEAERP Cc1ccncc1C[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001444227527 1098789665 /nfs/dbraw/zinc/78/96/65/1098789665.db2.gz SBAYPEVGAFDMBR-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001480020496 1099499006 /nfs/dbraw/zinc/49/90/06/1099499006.db2.gz ISTRTJQXTPGXGN-HOCLYGCPSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001480021265 1099500428 /nfs/dbraw/zinc/50/04/28/1099500428.db2.gz YGKXBHYEMGLHNT-ZWKOTPCHSA-N 2 0 348.466 2.078 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444669938 1099511052 /nfs/dbraw/zinc/51/10/52/1099511052.db2.gz SBLUAYKFCNGNNI-ZIAGYGMSSA-N 2 0 339.430 2.243 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085920 1099639706 /nfs/dbraw/zinc/63/97/06/1099639706.db2.gz VMICPJPISWBWAC-DOTOQJQBSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)C1)[NH+](C)C ZINC001480120212 1099684430 /nfs/dbraw/zinc/68/44/30/1099684430.db2.gz ARWDIALCAWRVAJ-RBUKOAKNSA-N 2 0 331.504 2.458 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1)[NH+](C)C ZINC001480120048 1099684579 /nfs/dbraw/zinc/68/45/79/1099684579.db2.gz BDFGABBWSPHSGQ-OALUTQOASA-N 2 0 331.504 2.396 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480143067 1099710276 /nfs/dbraw/zinc/71/02/76/1099710276.db2.gz XSYFZRMHJHEKLJ-GPMSIDNRSA-N 2 0 349.519 2.199 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCC(F)(F)C3)C2)CCC1 ZINC001480142997 1099710671 /nfs/dbraw/zinc/71/06/71/1099710671.db2.gz WPUDVDBLFGGLHZ-MGPQQGTHSA-N 2 0 329.435 2.143 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccn2)C2CCCCC2)C1 ZINC001444800876 1099719452 /nfs/dbraw/zinc/71/94/52/1099719452.db2.gz YMMFAMLFXCZPGL-MJGOQNOKSA-N 2 0 344.503 2.188 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)co1 ZINC001444820939 1099756558 /nfs/dbraw/zinc/75/65/58/1099756558.db2.gz RALNRPVKHMWFGV-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)co1 ZINC001444820936 1099757029 /nfs/dbraw/zinc/75/70/29/1099757029.db2.gz RALNRPVKHMWFGV-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480317086 1100052403 /nfs/dbraw/zinc/05/24/03/1100052403.db2.gz SPAZXXZDNPHRLM-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCCc3ccccc3)CC2)CC[N@@H+]1C ZINC001480360345 1100131847 /nfs/dbraw/zinc/13/18/47/1100131847.db2.gz SNROAMGOUWBUFA-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)C1(C[NH+](C)C)CC1 ZINC001445026359 1100189653 /nfs/dbraw/zinc/18/96/53/1100189653.db2.gz GBYZFTOOAUWNEB-SFHVURJKSA-N 2 0 329.488 2.406 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)c2ccc3c[nH+]cn3c2C)sn1 ZINC001480492349 1100304703 /nfs/dbraw/zinc/30/47/03/1100304703.db2.gz IURGAWPLWSAQRW-GFCCVEGCSA-N 2 0 343.456 2.316 10 0 EEAERP CCN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)C12CC[NH+](CC1)C2 ZINC001445319701 1100554958 /nfs/dbraw/zinc/55/49/58/1100554958.db2.gz AMCHFDZJKBOURI-SFHVURJKSA-N 2 0 345.462 2.347 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(O)ccc1Cl ZINC001496246953 1100815751 /nfs/dbraw/zinc/81/57/51/1100815751.db2.gz DFCLGAXRLCIUQW-ZDUSSCGKSA-N 2 0 341.883 2.322 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC001496369041 1100962299 /nfs/dbraw/zinc/96/22/99/1100962299.db2.gz PPHDCZOSZRCUQD-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3F)C2)C1 ZINC001446545180 1101010495 /nfs/dbraw/zinc/01/04/95/1101010495.db2.gz CXFCQTGDXVNYSI-DNVCBOLYSA-N 2 0 333.451 2.248 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@@H](C)c1ncccn1 ZINC001496428465 1101019407 /nfs/dbraw/zinc/01/94/07/1101019407.db2.gz OTRMCBBZDPLHEB-IRXDYDNUSA-N 2 0 347.507 2.239 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001495394146 1101114999 /nfs/dbraw/zinc/11/49/99/1101114999.db2.gz VOVUIWVULBADJH-HNNXBMFYSA-N 2 0 343.462 2.346 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cnc(C)o2)CC1)[NH+](C)C ZINC001495434196 1101151500 /nfs/dbraw/zinc/15/15/00/1101151500.db2.gz DBGAHFFOQQTARP-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC[C@H](C)F ZINC001496570346 1101170793 /nfs/dbraw/zinc/17/07/93/1101170793.db2.gz NBDLFBPOIWDKQZ-JKSUJKDBSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446665973 1101193563 /nfs/dbraw/zinc/19/35/63/1101193563.db2.gz QYYAJKGAYIYTHH-ICSRJNTNSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001495683869 1101433658 /nfs/dbraw/zinc/43/36/58/1101433658.db2.gz SKXIPSHBEDLBDN-ZFWWWQNUSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ccccc1C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001447042798 1101835719 /nfs/dbraw/zinc/83/57/19/1101835719.db2.gz LBSQXKJLNUTZHF-RBUKOAKNSA-N 2 0 329.488 2.370 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204166 1102123520 /nfs/dbraw/zinc/12/35/20/1102123520.db2.gz BKWBFNRVIUNGBG-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)COC2CC[NH+](C)CC2)cc1 ZINC001496196513 1102203576 /nfs/dbraw/zinc/20/35/76/1102203576.db2.gz ZZJZWTBINAWQQL-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001497297225 1102272144 /nfs/dbraw/zinc/27/21/44/1102272144.db2.gz CCBZPQJTZPWWSL-AEFFLSMTSA-N 2 0 339.524 2.160 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001497306926 1102288714 /nfs/dbraw/zinc/28/87/14/1102288714.db2.gz CKCFORIRBOYARM-HIFRSBDPSA-N 2 0 332.448 2.152 10 0 EEAERP C[C@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001497309032 1102291867 /nfs/dbraw/zinc/29/18/67/1102291867.db2.gz XKBUJRJCJPSEBQ-QAPCUYQASA-N 2 0 327.472 2.254 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001447252988 1102305161 /nfs/dbraw/zinc/30/51/61/1102305161.db2.gz YFGVSAYXDSIDQL-CQSZACIVSA-N 2 0 331.451 2.392 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCN(Cc2nc(C)oc2C)CC1 ZINC001447323336 1102445885 /nfs/dbraw/zinc/44/58/85/1102445885.db2.gz WYSYWQFBNUAOEY-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497453338 1102512041 /nfs/dbraw/zinc/51/20/41/1102512041.db2.gz AYNGVIAFLNXFFN-WMLDXEAASA-N 2 0 333.467 2.385 10 0 EEAERP CCC1([NH2+]Cc2cncs2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001447403350 1102596359 /nfs/dbraw/zinc/59/63/59/1102596359.db2.gz ARKFLXWGHWRPIQ-UHFFFAOYSA-N 2 0 347.488 2.360 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497580812 1102695343 /nfs/dbraw/zinc/69/53/43/1102695343.db2.gz YIRFJTZUESUCAP-PYTPGESOSA-N 2 0 330.476 2.025 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001447498096 1102752720 /nfs/dbraw/zinc/75/27/20/1102752720.db2.gz QLRQUYHZFUSNIW-QGZVFWFLSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001447543243 1102826508 /nfs/dbraw/zinc/82/65/08/1102826508.db2.gz OAGNWDKJOQQBFU-PBHICJAKSA-N 2 0 337.895 2.271 10 0 EEAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001497683682 1102896806 /nfs/dbraw/zinc/89/68/06/1102896806.db2.gz RMOMNAKGRDOSMF-JMKDSLFWSA-N 2 0 347.478 2.342 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001497696192 1102921336 /nfs/dbraw/zinc/92/13/36/1102921336.db2.gz DWECQZPPLXDTSV-DLVMZFSYSA-N 2 0 342.487 2.169 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447901628 1103552965 /nfs/dbraw/zinc/55/29/65/1103552965.db2.gz MCEXOMWVEKDWNZ-HZPDHXFCSA-N 2 0 347.503 2.328 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1cnccn1 ZINC001448220218 1104203796 /nfs/dbraw/zinc/20/37/96/1104203796.db2.gz LMYQMCJVJULBCE-IAGOWNOFSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1cccc(C)c1OCC[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001494632287 1104216309 /nfs/dbraw/zinc/21/63/09/1104216309.db2.gz HRJZPJFSSLVOHV-UHFFFAOYSA-N 2 0 347.503 2.070 10 0 EEAERP COCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001494667428 1104254764 /nfs/dbraw/zinc/25/47/64/1104254764.db2.gz PPFAPSAALGSRAE-FHWLQOOXSA-N 2 0 349.519 2.105 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001494732028 1104311948 /nfs/dbraw/zinc/31/19/48/1104311948.db2.gz LEPVBPIGSCBTOW-SFHVURJKSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001494986373 1104630582 /nfs/dbraw/zinc/63/05/82/1104630582.db2.gz SQYPYOQFFYTGJL-CABCVRRESA-N 2 0 331.451 2.389 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480597818 1106737029 /nfs/dbraw/zinc/73/70/29/1106737029.db2.gz VABREEYLBHKOSJ-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC001497994226 1106754488 /nfs/dbraw/zinc/75/44/88/1106754488.db2.gz YCOXUVVFWKYGAY-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CCC1 ZINC001480649793 1106819438 /nfs/dbraw/zinc/81/94/38/1106819438.db2.gz YYBYTRQPDFAPID-OAHLLOKOSA-N 2 0 335.517 2.213 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001498043308 1106826067 /nfs/dbraw/zinc/82/60/67/1106826067.db2.gz INNYXHZTMSJJEJ-LPHOPBHVSA-N 2 0 329.488 2.240 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498043656 1106826432 /nfs/dbraw/zinc/82/64/32/1106826432.db2.gz OPUUGUTVDOLZLD-KBXCAEBGSA-N 2 0 333.451 2.070 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc2ccc(OC)cc2)CC[N@@H+]1C ZINC001498045512 1106830563 /nfs/dbraw/zinc/83/05/63/1106830563.db2.gz YMCORXRXOSMFCE-ZYSHUDEJSA-N 2 0 347.503 2.062 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001480674613 1106860180 /nfs/dbraw/zinc/86/01/80/1106860180.db2.gz TWBVOXRREYWJDQ-RBUKOAKNSA-N 2 0 329.488 2.009 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001480682420 1106873667 /nfs/dbraw/zinc/87/36/67/1106873667.db2.gz GCVVTOYFKOSKFQ-HKUYNNGSSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCCCCF)C2)C1 ZINC001480735792 1107006354 /nfs/dbraw/zinc/00/63/54/1107006354.db2.gz JXBKTOPRVSFYJM-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ccnc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001480794265 1107128341 /nfs/dbraw/zinc/12/83/41/1107128341.db2.gz YEMYYUZGDXMNMX-NVXWUHKLSA-N 2 0 347.507 2.032 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001498424258 1107494153 /nfs/dbraw/zinc/49/41/53/1107494153.db2.gz DBKNERBNYFNHBI-INIZCTEOSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001498488635 1107623329 /nfs/dbraw/zinc/62/33/29/1107623329.db2.gz JFMBFSORVVCKMY-JKSUJKDBSA-N 2 0 336.480 2.089 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001498569902 1107739298 /nfs/dbraw/zinc/73/92/98/1107739298.db2.gz PJCCOVIQBSJHJE-UHFFFAOYSA-N 2 0 347.478 2.435 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cnoc2C)C1)[NH+](CC)CC ZINC001493235715 1107741740 /nfs/dbraw/zinc/74/17/40/1107741740.db2.gz HNYVPRODXIUJPA-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CCC(=O)NCC[N@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC001493407040 1108097081 /nfs/dbraw/zinc/09/70/81/1108097081.db2.gz KVNIJCXGAPZSKM-UHFFFAOYSA-N 2 0 329.488 2.208 10 0 EEAERP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001493551018 1108300276 /nfs/dbraw/zinc/30/02/76/1108300276.db2.gz TXVVVKMFLDDIFX-LJQANCHMSA-N 2 0 329.488 2.139 10 0 EEAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001493724397 1108570698 /nfs/dbraw/zinc/57/06/98/1108570698.db2.gz BSMJUYPFPAVMEB-UHFFFAOYSA-N 2 0 349.523 2.077 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@@H+]1C ZINC001471396049 1110521917 /nfs/dbraw/zinc/52/19/17/1110521917.db2.gz NUWHKISCGULTDX-WMZOPIPTSA-N 2 0 344.503 2.385 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001471570172 1110524820 /nfs/dbraw/zinc/52/48/20/1110524820.db2.gz XFCBURGTBQIPEQ-KZNAEPCWSA-N 2 0 336.524 2.399 10 0 EEAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[NH+]1CCCC1 ZINC001479384943 1110689235 /nfs/dbraw/zinc/68/92/35/1110689235.db2.gz KKZPHDUPKXLJFW-CZIWCDLHSA-N 2 0 348.466 2.080 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001479409989 1110693275 /nfs/dbraw/zinc/69/32/75/1110693275.db2.gz YUIGFLIGBIWCHV-FPCVCCKLSA-N 2 0 345.478 2.492 10 0 EEAERP CCc1nocc1C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499574446 1112380387 /nfs/dbraw/zinc/38/03/87/1112380387.db2.gz TXTUZHSXBWYUTD-LJQANCHMSA-N 2 0 348.491 2.003 10 0 EEAERP Cc1cc(C[NH+]2CCC(C)(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)on1 ZINC001500013119 1112579933 /nfs/dbraw/zinc/57/99/33/1112579933.db2.gz RYCCDICGOSCMMB-IYBDPMFKSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500164144 1112649420 /nfs/dbraw/zinc/64/94/20/1112649420.db2.gz XRSGZZROPVFORG-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP CCOCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500243010 1112699202 /nfs/dbraw/zinc/69/92/02/1112699202.db2.gz ISAVQQKIQYNCLO-LJQANCHMSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]Cc3conc3C)C2)CC[N@@H+]1C ZINC001501568624 1113385578 /nfs/dbraw/zinc/38/55/78/1113385578.db2.gz NRHUYCDUAAFWKK-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001501610637 1113398697 /nfs/dbraw/zinc/39/86/97/1113398697.db2.gz BWVDUSPQIQMNNY-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501647756 1113414441 /nfs/dbraw/zinc/41/44/41/1113414441.db2.gz PMWSEMWJKATYMR-FUHWJXTLSA-N 2 0 347.478 2.414 10 0 EEAERP O=C(NCC1([NH2+]C/C=C\Cl)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008762 1113556822 /nfs/dbraw/zinc/55/68/22/1113556822.db2.gz PZGXJPLCHHZQNG-JYTFZEJGSA-N 2 0 325.884 2.384 10 0 EEAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001505677679 1114125573 /nfs/dbraw/zinc/12/55/73/1114125573.db2.gz IATOEDDPJVOKLX-CHWSQXEVSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001434 1114333728 /nfs/dbraw/zinc/33/37/28/1114333728.db2.gz ALVRDKQXJMPXGN-JKSUJKDBSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCc1ccsc1 ZINC001506038625 1114365870 /nfs/dbraw/zinc/36/58/70/1114365870.db2.gz LWVFOOPZCZTJJJ-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001506855291 1114919256 /nfs/dbraw/zinc/91/92/56/1114919256.db2.gz IDQOINSXLDQSRN-IXDOHACOSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](CCCCCF)C[C@]2(C)C1 ZINC001506865120 1114933925 /nfs/dbraw/zinc/93/39/25/1114933925.db2.gz VMIWUIVPPOBINK-QRQLOZEOSA-N 2 0 339.499 2.391 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001506907611 1114964976 /nfs/dbraw/zinc/96/49/76/1114964976.db2.gz VGCVOSKBWZKWTB-UAPYVXQJSA-N 2 0 344.503 2.250 10 0 EEAERP C[C@H](CCC[NH2+]CC1CCOCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001506931423 1114982547 /nfs/dbraw/zinc/98/25/47/1114982547.db2.gz ALTGBGJBKJDBBL-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)OCCC[N@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001506959190 1115006692 /nfs/dbraw/zinc/00/66/92/1115006692.db2.gz YRVSGXUSHOEIOB-UHFFFAOYSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@H+](CCOCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001506970417 1115020852 /nfs/dbraw/zinc/02/08/52/1115020852.db2.gz UUTKTUDBGKVJKJ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C\Cl ZINC001506992876 1115037910 /nfs/dbraw/zinc/03/79/10/1115037910.db2.gz URAQOTZJQLUVHK-FWRQMEPDSA-N 2 0 336.307 2.378 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC001507082434 1115098727 /nfs/dbraw/zinc/09/87/27/1115098727.db2.gz IREJEQCFPSXEEJ-AEFFLSMTSA-N 2 0 349.523 2.275 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cnccc1C ZINC001507084104 1115099504 /nfs/dbraw/zinc/09/95/04/1115099504.db2.gz XNSNZFYASOFVSF-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(C)(C)C ZINC001507629138 1115312161 /nfs/dbraw/zinc/31/21/61/1115312161.db2.gz WXHJYKYMXYELTQ-SJORKVTESA-N 2 0 341.540 2.047 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C)o1 ZINC001508037698 1115398416 /nfs/dbraw/zinc/39/84/16/1115398416.db2.gz OXXAYGCNXLNKBK-INIZCTEOSA-N 2 0 348.491 2.008 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CCc2ccccc2)CC1 ZINC001508230616 1115455752 /nfs/dbraw/zinc/45/57/52/1115455752.db2.gz YBXSKQQHBGBGPQ-UHFFFAOYSA-N 2 0 329.488 2.318 10 0 EEAERP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001567907532 1124169861 /nfs/dbraw/zinc/16/98/61/1124169861.db2.gz UXNAROMGDLYODB-KGLIPLIRSA-N 2 0 335.414 2.346 10 0 EEAERP CC[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001545571143 1124196635 /nfs/dbraw/zinc/19/66/35/1124196635.db2.gz BHQIAYDTHIKXRI-GVDBMIGSSA-N 2 0 348.539 2.416 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]Cc3ccccn3)C2)CC1 ZINC001568065869 1124270805 /nfs/dbraw/zinc/27/08/05/1124270805.db2.gz FWLCLRFNRSFQFK-QGZVFWFLSA-N 2 0 344.503 2.142 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)CC[N@@H+]1C ZINC001568085264 1124290413 /nfs/dbraw/zinc/29/04/13/1124290413.db2.gz VFCOMKVGHGZGSD-VQIMIIECSA-N 2 0 344.503 2.140 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001568544953 1124604091 /nfs/dbraw/zinc/60/40/91/1124604091.db2.gz JYPVBWQPBJUJAG-IEBWSBKVSA-N 2 0 345.487 2.036 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671516 1124685029 /nfs/dbraw/zinc/68/50/29/1124685029.db2.gz SSJNZKAOVYTKOF-KBPBESRZSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001568949638 1124982923 /nfs/dbraw/zinc/98/29/23/1124982923.db2.gz FNKKRCKKPWISKB-ZRHASKPBSA-N 2 0 329.488 2.141 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001568971065 1125009812 /nfs/dbraw/zinc/00/98/12/1125009812.db2.gz DVBDJAOMZJCUKN-CWDCEQMOSA-N 2 0 336.505 2.026 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001569257382 1125199485 /nfs/dbraw/zinc/19/94/85/1125199485.db2.gz FJHSPZYMOPSCGI-OAHLLOKOSA-N 2 0 333.451 2.421 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000340094453 539823354 /nfs/dbraw/zinc/82/33/54/539823354.db2.gz LEDYLNSZUNMZQG-CGTJXYLNSA-N 2 0 332.492 2.461 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000237692759 291059917 /nfs/dbraw/zinc/05/99/17/291059917.db2.gz XCUFWMCBTRYXKO-WMZOPIPTSA-N 2 0 329.488 2.249 10 0 EEAERP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274908603 201273517 /nfs/dbraw/zinc/27/35/17/201273517.db2.gz MOSJNUYQCQCKIE-TYPHKJRUSA-N 2 0 345.531 2.333 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(=O)NCCc1cccs1 ZINC000083967506 201367015 /nfs/dbraw/zinc/36/70/15/201367015.db2.gz LXAWLQJHHXRHGR-KGLIPLIRSA-N 2 0 332.473 2.159 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(=O)NCc1ccc(F)cc1 ZINC000084001091 201367506 /nfs/dbraw/zinc/36/75/06/201367506.db2.gz JTAHJPGCTNYSAB-HIFRSBDPSA-N 2 0 330.407 2.194 10 0 EEAERP C[C@@H]1C[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838492 240254006 /nfs/dbraw/zinc/25/40/06/240254006.db2.gz OOFXZIIXGORMDB-QYRPDUKASA-N 2 0 343.515 2.396 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422876546 240270612 /nfs/dbraw/zinc/27/06/12/240270612.db2.gz QIWUPIOTLFBQLQ-DOXZYTNZSA-N 2 0 333.476 2.260 10 0 EEAERP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1c[nH+]ccc1N ZINC000423027439 240335458 /nfs/dbraw/zinc/33/54/58/240335458.db2.gz OZMWDTUBVSLUTB-UKRRQHHQSA-N 2 0 326.448 2.203 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)CC[NH2+]CC1 ZINC000422985807 240319258 /nfs/dbraw/zinc/31/92/58/240319258.db2.gz AIZITDSPUFCHGR-GVDBMIGSSA-N 2 0 340.508 2.229 10 0 EEAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423182967 240396411 /nfs/dbraw/zinc/39/64/11/240396411.db2.gz MCXDUJIQLCUITN-RTBURBONSA-N 3 0 331.504 2.263 10 0 EEAERP COc1cc2c(c(C[NH2+]CC3CC[NH+](C[C@@H](C)O)CC3)c1)O[C@H](C)C2 ZINC000069434557 203000415 /nfs/dbraw/zinc/00/04/15/203000415.db2.gz AASZFGBJBJVHAH-HUUCEWRRSA-N 2 0 348.487 2.201 10 0 EEAERP C[NH2+]C[C@@H]1CCN(Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000071142107 203086245 /nfs/dbraw/zinc/08/62/45/203086245.db2.gz NLIOGAXWIVWJPX-JTQLQIEISA-N 2 0 329.238 2.205 10 0 EEAERP CN([C@@H](C[NH3+])c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000019511899 212035326 /nfs/dbraw/zinc/03/53/26/212035326.db2.gz ZMMLEXIMHBCNMO-HNNXBMFYSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000459760462 245240016 /nfs/dbraw/zinc/24/00/16/245240016.db2.gz SJLIRMHLBZRZQH-OAHLLOKOSA-N 2 0 347.478 2.432 10 0 EEAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000236915570 204107364 /nfs/dbraw/zinc/10/73/64/204107364.db2.gz TZOOLTGKZMVXRE-RCCFBDPRSA-N 2 0 331.460 2.217 10 0 EEAERP CC[NH+]1CCN([C@@H](c2ccccc2Br)[C@H](C)[NH3+])CC1 ZINC000043090719 204211648 /nfs/dbraw/zinc/21/16/48/204211648.db2.gz RFMFHWPTABWFSU-SWLSCSKDSA-N 2 0 326.282 2.475 10 0 EEAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000246193483 205183228 /nfs/dbraw/zinc/18/32/28/205183228.db2.gz DHOHLTQPWPCHDY-NEWSRXKRSA-N 2 0 349.519 2.011 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000271733074 256238721 /nfs/dbraw/zinc/23/87/21/256238721.db2.gz YWYVXZZXNYIBDR-MOPGFXCFSA-N 2 0 347.503 2.200 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854692 256243981 /nfs/dbraw/zinc/24/39/81/256243981.db2.gz TVAWWTTVEFONCP-NEWSRXKRSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+](C)CC1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000051397510 132181096 /nfs/dbraw/zinc/18/10/96/132181096.db2.gz UIQBZCLGPHOXHY-UHFFFAOYSA-N 2 0 327.270 2.081 10 0 EEAERP C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000125565597 143745181 /nfs/dbraw/zinc/74/51/81/143745181.db2.gz WNGBGUMLISSPLD-APWZRJJASA-N 2 0 336.476 2.067 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000122447975 292273059 /nfs/dbraw/zinc/27/30/59/292273059.db2.gz URQPOHGIFUPBME-ADKAHSJRSA-N 2 0 338.540 2.384 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374201447 154001300 /nfs/dbraw/zinc/00/13/00/154001300.db2.gz VZOGMIJOYYYDKJ-UHFFFAOYSA-N 2 0 338.411 2.275 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302924105 160490327 /nfs/dbraw/zinc/49/03/27/160490327.db2.gz BHXOVCVXKCMKBQ-IXDOHACOSA-N 2 0 326.529 2.384 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000105169848 159297917 /nfs/dbraw/zinc/29/79/17/159297917.db2.gz QQMIPPHFNWKPHA-MOPGFXCFSA-N 2 0 346.519 2.190 10 0 EEAERP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188712946 160127204 /nfs/dbraw/zinc/12/72/04/160127204.db2.gz JYWMSTFTUFCSDC-ZWKOTPCHSA-N 2 0 333.451 2.235 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193496395 160182399 /nfs/dbraw/zinc/18/23/99/160182399.db2.gz ZYFIHMWBBQQIEF-QGZVFWFLSA-N 2 0 336.524 2.236 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246540919 160283619 /nfs/dbraw/zinc/28/36/19/160283619.db2.gz XKIVLDYRIVILNS-KURKYZTESA-N 2 0 336.524 2.234 10 0 EEAERP CC[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C[C@H](C)O ZINC000247356632 160321815 /nfs/dbraw/zinc/32/18/15/160321815.db2.gz HADRTRHUNWOOAH-YJBOKZPZSA-N 2 0 348.491 2.057 10 0 EEAERP c1ncc(NCC[NH+]2CCCCC2)nc1NCC[NH+]1CCCCC1 ZINC000341554873 160997457 /nfs/dbraw/zinc/99/74/57/160997457.db2.gz XUOQUPNHCSAZGC-UHFFFAOYSA-N 2 0 332.496 2.272 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000375303489 167107473 /nfs/dbraw/zinc/10/74/73/167107473.db2.gz QXDKXDBXIKFHLU-SFHVURJKSA-N 2 0 345.535 2.376 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376319403 167303643 /nfs/dbraw/zinc/30/36/43/167303643.db2.gz DLTUHNDMUHYJCQ-CVEARBPZSA-N 2 0 333.480 2.307 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104190612 273948524 /nfs/dbraw/zinc/94/85/24/273948524.db2.gz DTLREMSRVPAGQY-UHFFFAOYSA-N 2 0 346.450 2.182 10 0 EEAERP Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc(C)c1O ZINC000289369869 275111861 /nfs/dbraw/zinc/11/18/61/275111861.db2.gz ZQBMIDNLKYTZDH-UHFFFAOYSA-N 2 0 340.471 2.446 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(F)(F)F ZINC000457519406 279328875 /nfs/dbraw/zinc/32/88/75/279328875.db2.gz FCQPQGCZNSOIQA-KGLIPLIRSA-N 2 0 337.430 2.449 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000333128022 312096983 /nfs/dbraw/zinc/09/69/83/312096983.db2.gz BJCSJUJXZKUYFX-AQEOSJORSA-N 2 0 336.524 2.327 10 0 EEAERP COc1ccccc1/C=C\C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971306 313117454 /nfs/dbraw/zinc/11/74/54/313117454.db2.gz IAWPQRGMRRCORB-DQOPKJQZSA-N 2 0 343.393 2.134 10 0 EEAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416882831 313347585 /nfs/dbraw/zinc/34/75/85/313347585.db2.gz BAUVZEDAQXQRPX-JKSUJKDBSA-N 2 0 330.476 2.174 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cccc(OC)c1 ZINC000416930614 313363894 /nfs/dbraw/zinc/36/38/94/313363894.db2.gz YVXSGEGVTDZECR-JCGIZDLHSA-N 2 0 348.491 2.209 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000417008629 313392237 /nfs/dbraw/zinc/39/22/37/313392237.db2.gz MFCHNJYJFMRRDW-NUEKZKHPSA-N 2 0 338.521 2.428 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+]C2CC(OCc3ccccc3)C2)CC1(C)C ZINC000442873476 315216565 /nfs/dbraw/zinc/21/65/65/315216565.db2.gz PDOOCCHCTZJDCG-UHFFFAOYSA-N 2 0 331.504 2.350 10 0 EEAERP CN(CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cc[nH+]cc1 ZINC000541856630 318112309 /nfs/dbraw/zinc/11/23/09/318112309.db2.gz ZFYXEJAJVGVIOF-APWZRJJASA-N 2 0 342.487 2.383 10 0 EEAERP CN(CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542786981 318139798 /nfs/dbraw/zinc/13/97/98/318139798.db2.gz QQYJABSYKCQLHG-GOSISDBHSA-N 2 0 338.455 2.299 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)n(C)n1 ZINC000565475084 319185683 /nfs/dbraw/zinc/18/56/83/319185683.db2.gz OHSMZRFGKDMSAP-RDJZCZTQSA-N 2 0 342.491 2.210 10 0 EEAERP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000568617832 319503956 /nfs/dbraw/zinc/50/39/56/319503956.db2.gz ARPFEUUJMQNYLD-FPOVZHCZSA-N 2 0 345.531 2.385 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574548848 320036001 /nfs/dbraw/zinc/03/60/01/320036001.db2.gz NOHDBRODGQEHQV-OWLYRPNTSA-N 2 0 330.476 2.119 10 0 EEAERP NCC(F)(F)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000576236669 320154061 /nfs/dbraw/zinc/15/40/61/320154061.db2.gz ZNJQCKRKNSYWOV-LBPRGKRZSA-N 2 0 331.432 2.060 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000578549779 323652998 /nfs/dbraw/zinc/65/29/98/323652998.db2.gz ZSRVVNRVFWZRJV-DLBZAZTESA-N 2 0 329.492 2.259 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000341223511 465064699 /nfs/dbraw/zinc/06/46/99/465064699.db2.gz VZCVVCIWCMEUBO-CQSZACIVSA-N 2 0 331.460 2.089 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755262 462614464 /nfs/dbraw/zinc/61/44/64/462614464.db2.gz AOLPFUIKSHBLHW-INIZCTEOSA-N 2 0 347.507 2.076 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000114826164 462684308 /nfs/dbraw/zinc/68/43/08/462684308.db2.gz NWKPJUQMRAZMGV-ROUUACIJSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000075603079 462737147 /nfs/dbraw/zinc/73/71/47/462737147.db2.gz MLYXPVVKYUHWFN-UGSOOPFHSA-N 2 0 342.430 2.023 10 0 EEAERP Cc1ccccc1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154587228 462785271 /nfs/dbraw/zinc/78/52/71/462785271.db2.gz DDIYVEZRVLPOHA-YOFSQIOKSA-N 2 0 341.499 2.307 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964842 462843183 /nfs/dbraw/zinc/84/31/83/462843183.db2.gz UDSOXEBQRDXSJS-SJLPKXTDSA-N 2 0 332.492 2.290 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000118771092 462851532 /nfs/dbraw/zinc/85/15/32/462851532.db2.gz JAIFHEZNIXGSHP-QGZVFWFLSA-N 2 0 346.519 2.289 10 0 EEAERP COc1ccc(CN(C)C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123226111 463325289 /nfs/dbraw/zinc/32/52/89/463325289.db2.gz UMUVPHFBSSPKNI-NVXWUHKLSA-N 2 0 333.476 2.068 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000097667987 463361654 /nfs/dbraw/zinc/36/16/54/463361654.db2.gz BOULVVXUZYRUSP-DLBZAZTESA-N 2 0 347.503 2.477 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000553222355 468356175 /nfs/dbraw/zinc/35/61/75/468356175.db2.gz OFZDURPYXDKZGY-HNNXBMFYSA-N 2 0 330.476 2.027 10 0 EEAERP Cc1ccc(CC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000124608334 463442588 /nfs/dbraw/zinc/44/25/88/463442588.db2.gz BCSZALRSYKIKPG-OAQYLSRUSA-N 2 0 345.531 2.264 10 0 EEAERP O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000151328278 463512344 /nfs/dbraw/zinc/51/23/44/463512344.db2.gz IXRXIZIMXJUXLC-PMACEKPBSA-N 2 0 332.488 2.372 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCn2cccn2)CC1 ZINC000151658819 463570474 /nfs/dbraw/zinc/57/04/74/463570474.db2.gz RKNUKNNULFTZEA-UHFFFAOYSA-N 2 0 327.476 2.205 10 0 EEAERP CCS[C@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000112089062 463690188 /nfs/dbraw/zinc/69/01/88/463690188.db2.gz LQRAHNVRUANHBH-KRWDZBQOSA-N 2 0 339.549 2.337 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000170862337 463724584 /nfs/dbraw/zinc/72/45/84/463724584.db2.gz NDQXENHHXJRDQW-HZPDHXFCSA-N 2 0 334.464 2.152 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)CN1CCOCC1 ZINC000269029850 463849960 /nfs/dbraw/zinc/84/99/60/463849960.db2.gz RYHVAICBLUKWPJ-SBHAEUEKSA-N 2 0 345.531 2.455 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261799561 463863799 /nfs/dbraw/zinc/86/37/99/463863799.db2.gz ISENPGUDUGTNPZ-MRXNPFEDSA-N 2 0 345.487 2.185 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)N2CCCC2)o1 ZINC000261861006 463881343 /nfs/dbraw/zinc/88/13/43/463881343.db2.gz CBRBXWKMXYSQFY-YRXWBPOGSA-N 2 0 347.503 2.472 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)ccc1F ZINC000261895745 463890863 /nfs/dbraw/zinc/89/08/63/463890863.db2.gz HCDDWEZUYFERSA-QXAKKESOSA-N 3 0 335.467 2.134 10 0 EEAERP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261990129 463918619 /nfs/dbraw/zinc/91/86/19/463918619.db2.gz SOERYJQQVYTFFT-NMLACTOBSA-N 2 0 347.478 2.399 10 0 EEAERP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261990134 463918923 /nfs/dbraw/zinc/91/89/23/463918923.db2.gz SOERYJQQVYTFFT-XLNTUCKNSA-N 2 0 347.478 2.399 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000194942973 463963649 /nfs/dbraw/zinc/96/36/49/463963649.db2.gz SMBWDVKRDOPWEN-UHFFFAOYSA-N 2 0 336.524 2.282 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000195128294 463999075 /nfs/dbraw/zinc/99/90/75/463999075.db2.gz RVXWAGFPMHTWRS-ROUUACIJSA-N 2 0 330.476 2.217 10 0 EEAERP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000173272363 464226428 /nfs/dbraw/zinc/22/64/28/464226428.db2.gz HADRTRHUNWOOAH-CRAIPNDOSA-N 2 0 348.491 2.057 10 0 EEAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263902976 464233742 /nfs/dbraw/zinc/23/37/42/464233742.db2.gz FBVLRDPXMUGEQP-RBUKOAKNSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180094715 464239423 /nfs/dbraw/zinc/23/94/23/464239423.db2.gz VFFDIYARGDNEDN-HNNXBMFYSA-N 2 0 336.524 2.242 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246232830 464562074 /nfs/dbraw/zinc/56/20/74/464562074.db2.gz CLVJHNKTMWZTDT-SOLBZPMBSA-N 2 0 336.524 2.375 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000347945246 465327334 /nfs/dbraw/zinc/32/73/34/465327334.db2.gz JOLXWOWFFFBJEN-UXHICEINSA-N 2 0 341.499 2.451 10 0 EEAERP CN1CC[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082183 465472781 /nfs/dbraw/zinc/47/27/81/465472781.db2.gz IGGQTJGNWLXJTI-SQNIBIBYSA-N 2 0 337.895 2.130 10 0 EEAERP COc1ccc(NC(=O)[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534769 465786662 /nfs/dbraw/zinc/78/66/62/465786662.db2.gz LVSVGTXNGZNVID-LIRRHRJNSA-N 2 0 347.459 2.058 10 0 EEAERP C[C@H]([NH2+]C[C@]1(CCO)CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357239931 465884709 /nfs/dbraw/zinc/88/47/09/465884709.db2.gz UHFHEOLDNNKNSM-SXLOBPIMSA-N 2 0 332.488 2.276 10 0 EEAERP COC(C)(C)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000346254672 466031797 /nfs/dbraw/zinc/03/17/97/466031797.db2.gz WMMULCHXFIMPAZ-UHFFFAOYSA-N 2 0 341.540 2.218 10 0 EEAERP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000349989084 466342619 /nfs/dbraw/zinc/34/26/19/466342619.db2.gz AZKUCUHZJKPSGA-QFBILLFUSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000341090224 466575009 /nfs/dbraw/zinc/57/50/09/466575009.db2.gz IHXAKMGKUMSBBI-HOTGVXAUSA-N 2 0 336.524 2.423 10 0 EEAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422916053 466686509 /nfs/dbraw/zinc/68/65/09/466686509.db2.gz ZQOXAMKTYHDVIN-UXHICEINSA-N 2 0 331.504 2.383 10 0 EEAERP COCC1(CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405927 466740756 /nfs/dbraw/zinc/74/07/56/466740756.db2.gz JVKRXYUCELRCSV-OALUTQOASA-N 2 0 347.503 2.094 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417200922 466800096 /nfs/dbraw/zinc/80/00/96/466800096.db2.gz VDXHCKZEIHVXNE-RTBURBONSA-N 2 0 346.519 2.366 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417218439 466806258 /nfs/dbraw/zinc/80/62/58/466806258.db2.gz GUTMEDDWPYLIQC-UXLLHSPISA-N 2 0 336.524 2.279 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417221124 466807707 /nfs/dbraw/zinc/80/77/07/466807707.db2.gz NHRCFZPVDCDJKQ-YYIAUSFCSA-N 2 0 336.524 2.136 10 0 EEAERP CC[N@H+](CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C(C)C ZINC000417469332 466866239 /nfs/dbraw/zinc/86/62/39/466866239.db2.gz ZJRLZCQUDAMUMU-UHFFFAOYSA-N 2 0 336.524 2.170 10 0 EEAERP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417735603 466920915 /nfs/dbraw/zinc/92/09/15/466920915.db2.gz LKGWFLRSBMULFZ-FMKPAKJESA-N 2 0 338.521 2.414 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417999780 467016747 /nfs/dbraw/zinc/01/67/47/467016747.db2.gz WMQUFPGWKYIUGE-QGTPRVQTSA-N 2 0 346.475 2.010 10 0 EEAERP CCCCCCOCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370831504 467019726 /nfs/dbraw/zinc/01/97/26/467019726.db2.gz VHTIIHUHBCOVNE-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n(C)c1C ZINC000366023263 467032367 /nfs/dbraw/zinc/03/23/67/467032367.db2.gz OBOSCRFBYHSPRK-UHFFFAOYSA-N 2 0 333.476 2.428 10 0 EEAERP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)[NH+](C)C ZINC000418184250 467068060 /nfs/dbraw/zinc/06/80/60/467068060.db2.gz PRIVHVQQKPNQCV-BGTYHANMSA-N 2 0 330.476 2.214 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418341938 467095136 /nfs/dbraw/zinc/09/51/36/467095136.db2.gz IBALUNKWMFXCBG-CGTJXYLNSA-N 2 0 330.476 2.215 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000418432149 467110044 /nfs/dbraw/zinc/11/00/44/467110044.db2.gz SJRPJLUWGCOFQN-QZTJIDSGSA-N 2 0 330.476 2.060 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418431496 467110102 /nfs/dbraw/zinc/11/01/02/467110102.db2.gz QXFHXKYFBQUTGY-KRWDZBQOSA-N 2 0 330.432 2.053 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1F ZINC000377739490 467130083 /nfs/dbraw/zinc/13/00/83/467130083.db2.gz AUJWSZNHDBOBHO-DLBZAZTESA-N 2 0 333.451 2.139 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000418660176 467142449 /nfs/dbraw/zinc/14/24/49/467142449.db2.gz YMLKKTLPNJDNJV-AZUAARDMSA-N 2 0 344.503 2.376 10 0 EEAERP O=C(N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000420325045 467357297 /nfs/dbraw/zinc/35/72/97/467357297.db2.gz VZTYBJOHDGWCNX-PDRSHUBSSA-N 2 0 345.531 2.347 10 0 EEAERP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000420339612 467366762 /nfs/dbraw/zinc/36/67/62/467366762.db2.gz QYSSYSNWACYZCZ-GJZGRUSLSA-N 2 0 347.425 2.251 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420365294 467379537 /nfs/dbraw/zinc/37/95/37/467379537.db2.gz JALIBXIRAMMCJR-SFHVURJKSA-N 2 0 333.501 2.098 10 0 EEAERP COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420403384 467395869 /nfs/dbraw/zinc/39/58/69/467395869.db2.gz RHGHTYAVWPVQPJ-NVXWUHKLSA-N 2 0 332.444 2.316 10 0 EEAERP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388520625 467396827 /nfs/dbraw/zinc/39/68/27/467396827.db2.gz QILXAZJEXKQFIW-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690238 467429330 /nfs/dbraw/zinc/42/93/30/467429330.db2.gz HLYSPYIRNIBPLJ-GDBMZVCRSA-N 2 0 335.879 2.327 10 0 EEAERP CC1(C)C[N@H+](CCC(N)=O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453006615 467455069 /nfs/dbraw/zinc/45/50/69/467455069.db2.gz CJMRVHXAVLHRHQ-LJQANCHMSA-N 2 0 329.488 2.484 10 0 EEAERP CC(C)n1ccc(C[C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)n1 ZINC000415050617 467476697 /nfs/dbraw/zinc/47/66/97/467476697.db2.gz IVUUISGDDYQPTO-MUYFXNHWSA-N 2 0 333.524 2.201 10 0 EEAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000420813794 467488263 /nfs/dbraw/zinc/48/82/63/467488263.db2.gz HOBVDEIOKRYBCS-KSZLIROESA-N 2 0 330.476 2.167 10 0 EEAERP CO[C@]1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCOC1 ZINC000449251278 467626104 /nfs/dbraw/zinc/62/61/04/467626104.db2.gz PPNCLEDEGQXXSZ-PXNSSMCTSA-N 2 0 332.488 2.477 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458346532 467812387 /nfs/dbraw/zinc/81/23/87/467812387.db2.gz SOVGMEBBEHBFOE-ULQDDVLXSA-N 2 0 336.524 2.375 10 0 EEAERP Cc1cncn1CC(=O)Nc1ccc2c(c1)nc(C)n2[C@H](C)CO ZINC000529468576 467867928 /nfs/dbraw/zinc/86/79/28/467867928.db2.gz OCJUYXMOYBSCKN-GFCCVEGCSA-N 2 0 327.388 2.042 10 0 EEAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000517060909 468068742 /nfs/dbraw/zinc/06/87/42/468068742.db2.gz PMQMGOKDRRLUQA-TZMCWYRMSA-N 2 0 328.416 2.283 10 0 EEAERP C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C[NH+]2CC[C@H](CO)[C@@H]2C)c1 ZINC000488736299 468099796 /nfs/dbraw/zinc/09/97/96/468099796.db2.gz QKRPTSISIGRDCC-OBMJPTGESA-N 2 0 332.488 2.092 10 0 EEAERP C[C@@H]1CCNC(=O)[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519597324 468179354 /nfs/dbraw/zinc/17/93/54/468179354.db2.gz BKEPAKVSRRFESL-KBAYOESNSA-N 2 0 327.472 2.298 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000567802232 468213285 /nfs/dbraw/zinc/21/32/85/468213285.db2.gz MNJDJJVBKHCMHT-KLAILNCOSA-N 2 0 339.524 2.290 10 0 EEAERP C[N@H+](CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1CCCC1 ZINC000567821995 468216823 /nfs/dbraw/zinc/21/68/23/468216823.db2.gz UBSHFQNJZSDAAD-GOSISDBHSA-N 2 0 330.476 2.129 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000592426337 468695634 /nfs/dbraw/zinc/69/56/34/468695634.db2.gz WHMGWYWKFJGYCO-WMZOPIPTSA-N 2 0 332.444 2.202 10 0 EEAERP C[C@@H]([NH3+])[C@H]1COCC[C@H]1Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000583865910 468767225 /nfs/dbraw/zinc/76/72/25/468767225.db2.gz SEEROLUXGSRDIX-KMJHBWPFSA-N 2 0 347.503 2.460 10 0 EEAERP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC1CCCC1 ZINC000571910746 468857385 /nfs/dbraw/zinc/85/73/85/468857385.db2.gz WPIUUOHZSQRZDV-UXHICEINSA-N 2 0 332.488 2.284 10 0 EEAERP COC(=O)c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n2c1CCCC2 ZINC000598638993 468941693 /nfs/dbraw/zinc/94/16/93/468941693.db2.gz FVGZSUIBMHQTRV-CABCVRRESA-N 2 0 331.460 2.327 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000572761216 468989170 /nfs/dbraw/zinc/98/91/70/468989170.db2.gz COGPCZPIQATVLJ-IBGZPJMESA-N 2 0 342.443 2.346 10 0 EEAERP CC1(C)COC[C@H]1[NH2+]Cc1cncc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000572931749 469022100 /nfs/dbraw/zinc/02/21/00/469022100.db2.gz FVZFFHRRXGFZAI-IAGOWNOFSA-N 2 0 333.476 2.111 10 0 EEAERP CN(CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc[nH+]cc1 ZINC000618666014 469418080 /nfs/dbraw/zinc/41/80/80/469418080.db2.gz SKAWBEOIZFKAML-MRXNPFEDSA-N 2 0 330.476 2.431 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000629405851 469533078 /nfs/dbraw/zinc/53/30/78/469533078.db2.gz VOFWVPZMBRMRGI-NSHDSACASA-N 2 0 333.245 2.345 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH3+])CCOCC2)CC1 ZINC000629519894 469571766 /nfs/dbraw/zinc/57/17/66/469571766.db2.gz INKYFDOFXLRUCU-KRWDZBQOSA-N 2 0 331.504 2.180 10 0 EEAERP Fc1cc(Br)cnc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000623358748 469634279 /nfs/dbraw/zinc/63/42/79/469634279.db2.gz QKGXYUHIONBDTF-UHFFFAOYSA-N 2 0 346.244 2.185 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623717520 469744075 /nfs/dbraw/zinc/74/40/75/469744075.db2.gz DPWSMCVABIXGHQ-SOLBZPMBSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626936383 469761467 /nfs/dbraw/zinc/76/14/67/469761467.db2.gz UTMVKWHXIDTXCC-QRQLOZEOSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000627050628 469802327 /nfs/dbraw/zinc/80/23/27/469802327.db2.gz OJWRFCMMRYSPAQ-DOTOQJQBSA-N 2 0 330.476 2.091 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000627158951 469828896 /nfs/dbraw/zinc/82/88/96/469828896.db2.gz IUISMRUBLICWOH-YTQUADARSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C[NH2+]1 ZINC000627195459 469840568 /nfs/dbraw/zinc/84/05/68/469840568.db2.gz KYNYKLOVZBODBL-SJLPKXTDSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)NCCN2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656994 469855213 /nfs/dbraw/zinc/85/52/13/469855213.db2.gz SCFNYZOQFAAKKL-MAUKXSAKSA-N 2 0 330.476 2.126 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cn[nH]c3)CC2)c1 ZINC000624212879 469877085 /nfs/dbraw/zinc/87/70/85/469877085.db2.gz BNCBJTNFNJHENN-UHFFFAOYSA-N 2 0 327.476 2.410 10 0 EEAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000624485161 469953878 /nfs/dbraw/zinc/95/38/78/469953878.db2.gz NDACCBAVNYPQTI-YZGWKJHDSA-N 2 0 341.499 2.213 10 0 EEAERP c1ccc2c(NC[C@H]3CN(Cc4ccncc4)CCO3)cc[nH+]c2c1 ZINC000624706591 470005915 /nfs/dbraw/zinc/00/59/15/470005915.db2.gz NTJLBUHMMLRKIA-KRWDZBQOSA-N 2 0 334.423 2.365 10 0 EEAERP CC(C)[C@@H](C[NH2+]Cc1ccc(C(F)F)nc1)N1CC[NH+](C)CC1 ZINC000631039254 470053843 /nfs/dbraw/zinc/05/38/43/470053843.db2.gz UBKOHHCCBSHLQM-MRXNPFEDSA-N 2 0 326.435 2.381 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1 ZINC000628233754 470079348 /nfs/dbraw/zinc/07/93/48/470079348.db2.gz STHYHQUPDZRETO-SFHVURJKSA-N 2 0 335.517 2.353 10 0 EEAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044838 470153550 /nfs/dbraw/zinc/15/35/50/470153550.db2.gz UTFSKLWQEVSMFB-LSDHHAIUSA-N 2 0 341.455 2.433 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC[N@@H+]1C ZINC000631805593 470184892 /nfs/dbraw/zinc/18/48/92/470184892.db2.gz QTKUDCKZXKDAPR-HRCADAONSA-N 2 0 331.460 2.073 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000633096122 470349399 /nfs/dbraw/zinc/34/93/99/470349399.db2.gz BBLUOULDZUMEBE-DSLXNQLJSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC/C=C/C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641861591 470503825 /nfs/dbraw/zinc/50/38/25/470503825.db2.gz CGONZQHALLUYSQ-WXYTYNPNSA-N 2 0 330.476 2.196 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000647170894 470847199 /nfs/dbraw/zinc/84/71/99/470847199.db2.gz SHRBDIKBPWZRBA-UHFFFAOYSA-N 2 0 341.503 2.296 10 0 EEAERP CN(C)C(=O)COc1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480371 470911623 /nfs/dbraw/zinc/91/16/23/470911623.db2.gz KVFZGXZZMNXWQD-AEFFLSMTSA-N 2 0 345.487 2.118 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000650608712 470921520 /nfs/dbraw/zinc/92/15/20/470921520.db2.gz NDMOWLXLPSOGSU-UHFFFAOYSA-N 2 0 326.529 2.384 10 0 EEAERP COc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899759 471010663 /nfs/dbraw/zinc/01/06/63/471010663.db2.gz VOLTYZQPLXNVCY-GOEBONIOSA-N 2 0 347.459 2.106 10 0 EEAERP O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000647899493 471010791 /nfs/dbraw/zinc/01/07/91/471010791.db2.gz MUTNOVBZOVEZSD-SZMVWBNQSA-N 2 0 343.471 2.090 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000654880372 471212444 /nfs/dbraw/zinc/21/24/44/471212444.db2.gz RWSJMENCLXKNLE-MRXNPFEDSA-N 2 0 345.487 2.171 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000652133198 471241999 /nfs/dbraw/zinc/24/19/99/471241999.db2.gz JSMTUXYMMLFYAP-UHFFFAOYSA-N 2 0 348.466 2.218 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000641247873 471252112 /nfs/dbraw/zinc/25/21/12/471252112.db2.gz FKQGWTVNKFOXEJ-IEBWSBKVSA-N 2 0 344.503 2.210 10 0 EEAERP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655467010 471338878 /nfs/dbraw/zinc/33/88/78/471338878.db2.gz CBTKCPGKHOCAHR-BJLQDIEVSA-N 2 0 327.472 2.109 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000663400626 471358465 /nfs/dbraw/zinc/35/84/65/471358465.db2.gz UBVHLNDOWXQADE-SFHVURJKSA-N 2 0 330.476 2.027 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490336 471363377 /nfs/dbraw/zinc/36/33/77/471363377.db2.gz RBCXQTRQAKINKE-JLSDUUJJSA-N 2 0 341.446 2.001 10 0 EEAERP CCOc1cccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)c1 ZINC000663503541 471402683 /nfs/dbraw/zinc/40/26/83/471402683.db2.gz OPZXPOMZHUFWJG-UHFFFAOYSA-N 2 0 333.476 2.166 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000663502738 471403066 /nfs/dbraw/zinc/40/30/66/471403066.db2.gz ADOYLQHXEFRWNQ-UHFFFAOYSA-N 2 0 340.471 2.315 10 0 EEAERP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000655748637 471467759 /nfs/dbraw/zinc/46/77/59/471467759.db2.gz FFHMGRBAECAXOG-NJAFHUGGSA-N 2 0 349.544 2.149 10 0 EEAERP [NH3+]C[C@@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911530 471533366 /nfs/dbraw/zinc/53/33/66/471533366.db2.gz FKPTVGMMBJWODY-UONOGXRCSA-N 2 0 344.381 2.012 10 0 EEAERP [NH3+]C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(F)(F)F ZINC000655910505 471533469 /nfs/dbraw/zinc/53/34/69/471533469.db2.gz WHBRNEIXASQOAI-KGLIPLIRSA-N 2 0 344.381 2.012 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655912333 471534685 /nfs/dbraw/zinc/53/46/85/471534685.db2.gz TXFXJEOEDVXCHA-CQSZACIVSA-N 2 0 346.397 2.217 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+]2CCCC2)cc1 ZINC000663870706 471557346 /nfs/dbraw/zinc/55/73/46/471557346.db2.gz ZCTYDFBFVSKFSI-LJQANCHMSA-N 2 0 344.503 2.335 10 0 EEAERP C[C@@]1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565840 471559978 /nfs/dbraw/zinc/55/99/78/471559978.db2.gz LETRHDAHIHQUMI-ICSRJNTNSA-N 2 0 344.503 2.482 10 0 EEAERP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)n2)CC1 ZINC000666926944 471591982 /nfs/dbraw/zinc/59/19/82/471591982.db2.gz BVILOPLWCQCVFB-HNNXBMFYSA-N 2 0 348.495 2.144 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659543309 471672399 /nfs/dbraw/zinc/67/23/99/471672399.db2.gz GJYIZBAYSVKDKB-PYTPGESOSA-N 2 0 342.487 2.103 10 0 EEAERP C[N@H+](CCn1cc(C[C@H]2CCC[NH2+]C2)nn1)Cc1cccc(F)c1 ZINC000656450279 471721309 /nfs/dbraw/zinc/72/13/09/471721309.db2.gz QGDKUQCPJTUBRR-OAHLLOKOSA-N 2 0 331.439 2.091 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667780297 471901886 /nfs/dbraw/zinc/90/18/86/471901886.db2.gz GYYMDZBDYMACIK-SFTDATJTSA-N 2 0 343.515 2.351 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CC(C)C ZINC000654364205 471929392 /nfs/dbraw/zinc/92/93/92/471929392.db2.gz QNTQTJZZYUMLSV-IXDOHACOSA-N 2 0 326.529 2.382 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000660312873 471938471 /nfs/dbraw/zinc/93/84/71/471938471.db2.gz VTPQDAPJFFITHP-GOSISDBHSA-N 2 0 330.476 2.027 10 0 EEAERP CCOc1cc2c(cc1OCC)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662249001 472041567 /nfs/dbraw/zinc/04/15/67/472041567.db2.gz NDCSBXLDRTZAID-KRWDZBQOSA-N 2 0 346.471 2.363 10 0 EEAERP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)CC1CC1 ZINC000662278886 472053403 /nfs/dbraw/zinc/05/34/03/472053403.db2.gz NIHUSCRFDSNHFC-IBGZPJMESA-N 3 0 335.536 2.341 10 0 EEAERP Fc1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCOCC2)cc1 ZINC000662279142 472054188 /nfs/dbraw/zinc/05/41/88/472054188.db2.gz RGPWKKBMUNXOLC-GOSISDBHSA-N 2 0 334.435 2.328 10 0 EEAERP O=C(C[N@@H+]1CC2CC1(c1ccccc1)C2)NC1CC[NH+](C2CC2)CC1 ZINC000662333854 472075758 /nfs/dbraw/zinc/07/57/58/472075758.db2.gz HBDBPFSGNIZQDC-UHFFFAOYSA-N 2 0 339.483 2.351 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662528528 472141250 /nfs/dbraw/zinc/14/12/50/472141250.db2.gz AQSLYUSQPSTCEL-LJQANCHMSA-N 2 0 338.455 2.206 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000668660942 472214322 /nfs/dbraw/zinc/21/43/22/472214322.db2.gz IINKZMAEDVUZOD-KFWWJZLASA-N 2 0 336.505 2.182 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000662717597 472219717 /nfs/dbraw/zinc/21/97/17/472219717.db2.gz PUOZVIKWYAWHFI-UHFFFAOYSA-N 2 0 345.487 2.295 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000668720001 472237009 /nfs/dbraw/zinc/23/70/09/472237009.db2.gz HRAPNVQPZZXXAL-UHFFFAOYSA-N 2 0 329.488 2.441 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000452385058 485479282 /nfs/dbraw/zinc/47/92/82/485479282.db2.gz CPFCFWUMDJLZMP-OALUTQOASA-N 2 0 347.503 2.033 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673861127 485557507 /nfs/dbraw/zinc/55/75/07/485557507.db2.gz BAGICSZFWCBZNV-CQSZACIVSA-N 2 0 328.420 2.119 10 0 EEAERP C[C@@H]1C[C@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042433 485573110 /nfs/dbraw/zinc/57/31/10/485573110.db2.gz BNGOKTZMYITGOK-MISYRCLQSA-N 2 0 331.504 2.086 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000675180182 485920815 /nfs/dbraw/zinc/92/08/15/485920815.db2.gz DVYTYQJEJZBBLO-OALUTQOASA-N 2 0 346.519 2.333 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000680502180 485987369 /nfs/dbraw/zinc/98/73/69/485987369.db2.gz NKHTZSYAMDXBSU-IBGZPJMESA-N 2 0 346.519 2.492 10 0 EEAERP CC[C@H]1CN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000680555427 486004367 /nfs/dbraw/zinc/00/43/67/486004367.db2.gz SLIWLZZUCCFSLO-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000677363312 486422326 /nfs/dbraw/zinc/42/23/26/486422326.db2.gz FNDOXHUCVYZLPF-CALCHBBNSA-N 2 0 329.488 2.450 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000122639595 490632133 /nfs/dbraw/zinc/63/21/33/490632133.db2.gz WJWQHYNODJWLSF-HNNXBMFYSA-N 2 0 328.464 2.435 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000415910836 528354089 /nfs/dbraw/zinc/35/40/89/528354089.db2.gz CGVIXHVSGCYHIQ-HOTGVXAUSA-N 2 0 336.505 2.305 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(=O)NCC[NH+](C)C ZINC000777288810 577476095 /nfs/dbraw/zinc/47/60/95/577476095.db2.gz XMIDJDLIYOCHNF-ZFWWWQNUSA-N 2 0 340.899 2.478 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000758263208 577620444 /nfs/dbraw/zinc/62/04/44/577620444.db2.gz UJTXQJVOFAXGOZ-IRXDYDNUSA-N 2 0 348.560 2.484 10 0 EEAERP COC(=O)[C@@H]1[C@@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1(F)F ZINC000894766883 683081800 /nfs/dbraw/zinc/08/18/00/683081800.db2.gz WRFXBUPNGUQAMW-CABCVRRESA-N 2 0 326.387 2.234 10 0 EEAERP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000899808289 693876003 /nfs/dbraw/zinc/87/60/03/693876003.db2.gz CKUXKLMOEXYJRI-IAGOWNOFSA-N 2 0 330.476 2.383 10 0 EEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903088705 694198163 /nfs/dbraw/zinc/19/81/63/694198163.db2.gz LZHVDRYBVRKJSN-AABGKKOBSA-N 2 0 330.472 2.089 10 0 EEAERP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890280 694254918 /nfs/dbraw/zinc/25/49/18/694254918.db2.gz BADPOLSQINOTHT-WBVHZDCISA-N 2 0 344.503 2.418 10 0 EEAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000897589413 691652926 /nfs/dbraw/zinc/65/29/26/691652926.db2.gz XEJAEVZHQWIXLM-QYZOEREBSA-N 2 0 344.503 2.067 10 0 EEAERP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c(C)n1 ZINC001485588520 1191858606 /nfs/dbraw/zinc/85/86/06/1191858606.db2.gz ZNSCCUWDSXZMRY-SFHVURJKSA-N 2 0 346.519 2.365 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001691960727 1176081603 /nfs/dbraw/zinc/08/16/03/1176081603.db2.gz BRUUHJGMMAVVEX-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2cccc(COC)c2)CC[N@@H+]1C ZINC001480865752 1176139062 /nfs/dbraw/zinc/13/90/62/1176139062.db2.gz MOCUOFMUILTTLX-RBUKOAKNSA-N 2 0 347.503 2.111 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2C)C1)[NH+](C)C ZINC001266534573 1176773802 /nfs/dbraw/zinc/77/38/02/1176773802.db2.gz LIZTUYFCXYDUPZ-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701712 1177226991 /nfs/dbraw/zinc/22/69/91/1177226991.db2.gz BUYJPSOCVLHUHP-FQEVSTJZSA-N 2 0 341.499 2.454 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001266725541 1177310261 /nfs/dbraw/zinc/31/02/61/1177310261.db2.gz KXZLYMCXOPEPLI-YTQUADARSA-N 2 0 347.478 2.337 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001266725645 1177311514 /nfs/dbraw/zinc/31/15/14/1177311514.db2.gz OLCWTBDUCYNJFD-SCTDSRPQSA-N 2 0 347.503 2.197 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001266917273 1177794879 /nfs/dbraw/zinc/79/48/79/1177794879.db2.gz WZCPSPLRZUMVNI-UHFFFAOYSA-N 2 0 339.524 2.304 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691275957 1177807304 /nfs/dbraw/zinc/80/73/04/1177807304.db2.gz XRLHPDYUTCMATM-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1Cc1ccccn1)C12CC[NH+](CC1)C2 ZINC001267179149 1178433529 /nfs/dbraw/zinc/43/35/29/1178433529.db2.gz MAJWRHRRSXBVHM-SFHVURJKSA-N 2 0 342.487 2.038 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001691441606 1178634922 /nfs/dbraw/zinc/63/49/22/1178634922.db2.gz SGWWGLKFHHEUFH-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCOC2CCCCCC2)CC[N@@H+]1C ZINC001267375191 1178898872 /nfs/dbraw/zinc/89/88/72/1178898872.db2.gz YRUDLRPHEAARQS-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CC(F)(F)C1 ZINC001480980808 1179417670 /nfs/dbraw/zinc/41/76/70/1179417670.db2.gz WKMPLFQSRBISOC-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1cnccc1C ZINC001480982809 1179421847 /nfs/dbraw/zinc/42/18/47/1179421847.db2.gz HMJSMYUYOPEMIJ-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCN1Cc1cscn1 ZINC001481045058 1179623821 /nfs/dbraw/zinc/62/38/21/1179623821.db2.gz VSEYKKJAVOLJIU-JKSUJKDBSA-N 2 0 336.505 2.098 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC001267738178 1180344561 /nfs/dbraw/zinc/34/45/61/1180344561.db2.gz RZPALGIKHLWXOC-IEBWSBKVSA-N 2 0 345.487 2.130 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCCCc2ccccc2)CC[N@@H+]1C ZINC001481231701 1180363779 /nfs/dbraw/zinc/36/37/79/1180363779.db2.gz MBBKUIXRQHQVCM-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCCCF)CC2)C1 ZINC001267928548 1180776956 /nfs/dbraw/zinc/77/69/56/1180776956.db2.gz BKXITCVNUTYVFH-ULQDDVLXSA-N 2 0 327.488 2.485 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001267938791 1180794692 /nfs/dbraw/zinc/79/46/92/1180794692.db2.gz KLOXUXKNUNCWDL-GOSISDBHSA-N 2 0 335.467 2.484 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001267955793 1180836089 /nfs/dbraw/zinc/83/60/89/1180836089.db2.gz IJJLBRMUWIQIRQ-RTBURBONSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001267969074 1180874263 /nfs/dbraw/zinc/87/42/63/1180874263.db2.gz FOYBQQWSTUUBJV-DODUIYEKSA-N 2 0 327.900 2.440 10 0 EEAERP CN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)Cc1cncn1C ZINC001481304708 1180974875 /nfs/dbraw/zinc/97/48/75/1180974875.db2.gz ZPEGWYXTGNZLFW-POHAHGRESA-N 2 0 326.444 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCCCO1 ZINC001481350399 1181093178 /nfs/dbraw/zinc/09/31/78/1181093178.db2.gz JOUVAOPUFPPJDQ-KZNAEPCWSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481446853 1181371209 /nfs/dbraw/zinc/37/12/09/1181371209.db2.gz KNNHAOHTXLSFCJ-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001481448444 1181372669 /nfs/dbraw/zinc/37/26/69/1181372669.db2.gz YKDJZDRVQAHGOL-OAHLLOKOSA-N 2 0 344.459 2.108 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CCc3cccs3)C2)C1 ZINC001481497091 1181566699 /nfs/dbraw/zinc/56/66/99/1181566699.db2.gz HWWXPTYIZFXNBN-IRXDYDNUSA-N 2 0 349.544 2.413 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCOC)C1 ZINC001268160716 1181872784 /nfs/dbraw/zinc/87/27/84/1181872784.db2.gz WDBOJYGHGHEQJY-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)o1 ZINC001268161383 1181875188 /nfs/dbraw/zinc/87/51/88/1181875188.db2.gz DJJUHSIPUBGUIB-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@H]([NH2+]Cc1cccc(Cl)n1)C(C)C ZINC001268227039 1182042311 /nfs/dbraw/zinc/04/23/11/1182042311.db2.gz PJUDLCVOEUEYNB-HNNXBMFYSA-N 2 0 349.866 2.240 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001268392449 1182457282 /nfs/dbraw/zinc/45/72/82/1182457282.db2.gz GHJUHXOSLROSRN-GFCCVEGCSA-N 2 0 338.521 2.086 10 0 EEAERP CCCc1nc(CN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cs1 ZINC001481740866 1182468473 /nfs/dbraw/zinc/46/84/73/1182468473.db2.gz TWWQPYZQUFAOOW-HNNXBMFYSA-N 2 0 338.521 2.080 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)no1 ZINC001268427562 1182599490 /nfs/dbraw/zinc/59/94/90/1182599490.db2.gz YAFMROAYAVGEOS-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]Cc2cnoc2C)C1 ZINC001481844528 1182786174 /nfs/dbraw/zinc/78/61/74/1182786174.db2.gz ZROWWKLTNCGWAY-DOTOQJQBSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(C)ccc1OC ZINC001481867138 1182838526 /nfs/dbraw/zinc/83/85/26/1182838526.db2.gz AZJNEGLXTQUANH-KRWDZBQOSA-N 2 0 345.487 2.084 10 0 EEAERP CC[C@@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001482031706 1183171932 /nfs/dbraw/zinc/17/19/32/1183171932.db2.gz XLCROLCULYEFPL-ZTFGCOKTSA-N 2 0 335.467 2.481 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001482137602 1183449875 /nfs/dbraw/zinc/44/98/75/1183449875.db2.gz PQOOSGQUDNUBCJ-ZDUSSCGKSA-N 2 0 345.409 2.499 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001268625743 1183549069 /nfs/dbraw/zinc/54/90/69/1183549069.db2.gz SCXVXCNHEXAIRZ-YLSAJCSVSA-N 2 0 329.435 2.170 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268688785 1183612964 /nfs/dbraw/zinc/61/29/64/1183612964.db2.gz LVVFJFSBOQPXRW-ZWKOTPCHSA-N 2 0 347.503 2.341 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268690646 1183614094 /nfs/dbraw/zinc/61/40/94/1183614094.db2.gz SKNBNWYGHORCPX-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784152 1183701747 /nfs/dbraw/zinc/70/17/47/1183701747.db2.gz RULLPDLWBXGCGF-KRWDZBQOSA-N 2 0 337.895 2.415 10 0 EEAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268800379 1183715728 /nfs/dbraw/zinc/71/57/28/1183715728.db2.gz MDCDEJLEQHBMQG-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268800381 1183716155 /nfs/dbraw/zinc/71/61/55/1183716155.db2.gz MDCDEJLEQHBMQG-HOCLYGCPSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]CC2CCOCC2)ccc2c[nH+]cn21 ZINC001268802448 1183720399 /nfs/dbraw/zinc/72/03/99/1183720399.db2.gz SXXRRZNCIWGVBE-UHFFFAOYSA-N 2 0 344.459 2.121 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2ncccc2C)C1 ZINC001268818106 1183736753 /nfs/dbraw/zinc/73/67/53/1183736753.db2.gz QOEAXOMWAUYTDC-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1)[NH+]1CCCCCC1 ZINC001268869016 1183776916 /nfs/dbraw/zinc/77/69/16/1183776916.db2.gz OVIRLZOJYWIXNL-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001269025938 1183905784 /nfs/dbraw/zinc/90/57/84/1183905784.db2.gz LKCCILFEXRNHFK-GJZGRUSLSA-N 2 0 347.425 2.251 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269083181 1183946275 /nfs/dbraw/zinc/94/62/75/1183946275.db2.gz BUQPEQJZJPLWFJ-GOEBONIOSA-N 2 0 325.472 2.095 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCCC2)on1 ZINC001482221731 1184294192 /nfs/dbraw/zinc/29/41/92/1184294192.db2.gz PSVYNUITXNGRLZ-INIZCTEOSA-N 2 0 348.491 2.376 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC001482236830 1184496616 /nfs/dbraw/zinc/49/66/16/1184496616.db2.gz OZYSWHVPSHJMNC-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)oc1C ZINC001269709937 1184539123 /nfs/dbraw/zinc/53/91/23/1184539123.db2.gz BGAIFIARPMFXOL-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001270024925 1184795432 /nfs/dbraw/zinc/79/54/32/1184795432.db2.gz PLXSQIXGNYXARB-BRWVUGGUSA-N 2 0 341.540 2.142 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001270074687 1184826877 /nfs/dbraw/zinc/82/68/77/1184826877.db2.gz DPMBDHTTZNZTKP-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001482284244 1185063129 /nfs/dbraw/zinc/06/31/29/1185063129.db2.gz LYXCASUFNPBDGE-FUHWJXTLSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCOc1ccccc1 ZINC001270444470 1185102964 /nfs/dbraw/zinc/10/29/64/1185102964.db2.gz WVUJKOGXRGAIQL-KRWDZBQOSA-N 2 0 345.487 2.036 10 0 EEAERP C[C@H](CNC(=O)c1cccc2nccn21)C[NH2+]CCC(F)(F)F ZINC001270453621 1185106866 /nfs/dbraw/zinc/10/68/66/1185106866.db2.gz YNNZKTLXACKBAD-NSHDSACASA-N 2 0 328.338 2.242 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482319285 1185335219 /nfs/dbraw/zinc/33/52/19/1185335219.db2.gz ZUTRQTVDNWZKAG-MRXNPFEDSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482330861 1185414980 /nfs/dbraw/zinc/41/49/80/1185414980.db2.gz MUMRMBJDOUOZAN-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)on1 ZINC001482457083 1185891194 /nfs/dbraw/zinc/89/11/94/1185891194.db2.gz WIJRCWZPGXFAJA-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482462184 1185930882 /nfs/dbraw/zinc/93/08/82/1185930882.db2.gz RXICZLNRTZEXSE-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001482479876 1186056082 /nfs/dbraw/zinc/05/60/82/1186056082.db2.gz KXLCEYVBVTXGGH-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCOC1CCC1 ZINC001271495914 1186275976 /nfs/dbraw/zinc/27/59/76/1186275976.db2.gz ZQPSOOTYVNHZDJ-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)co1 ZINC001271535509 1186296317 /nfs/dbraw/zinc/29/63/17/1186296317.db2.gz ZBZUDCZBUMNTLE-FHLIZLRMSA-N 2 0 348.491 2.184 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001482497186 1186400455 /nfs/dbraw/zinc/40/04/55/1186400455.db2.gz CBDKNOROQCZIEW-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482536308 1186574309 /nfs/dbraw/zinc/57/43/09/1186574309.db2.gz PZJMIKQQVAHSTB-MOPGFXCFSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1cccnc1 ZINC001482538357 1186594596 /nfs/dbraw/zinc/59/45/96/1186594596.db2.gz SOEBGZJOBIRWJL-SFHVURJKSA-N 2 0 344.503 2.188 10 0 EEAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482599676 1187333516 /nfs/dbraw/zinc/33/35/16/1187333516.db2.gz YTYRCJFAQNVVSX-SFHVURJKSA-N 2 0 333.520 2.299 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001409938842 1193484196 /nfs/dbraw/zinc/48/41/96/1193484196.db2.gz XUHMXWPVVVNGQK-DOTOQJQBSA-N 2 0 329.488 2.273 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001691533830 1187520139 /nfs/dbraw/zinc/52/01/39/1187520139.db2.gz IFSDQCKMPHHULS-SHTZXODSSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001482831834 1187751471 /nfs/dbraw/zinc/75/14/71/1187751471.db2.gz ATDMQNVRLJXBLG-AYOQOUSVSA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1 ZINC001482848485 1187767892 /nfs/dbraw/zinc/76/78/92/1187767892.db2.gz OABUSNIAVPLYOZ-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482930312 1187851142 /nfs/dbraw/zinc/85/11/42/1187851142.db2.gz GSSYFFFFFXUXLY-SJORKVTESA-N 2 0 348.491 2.246 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482966587 1187903168 /nfs/dbraw/zinc/90/31/68/1187903168.db2.gz CGHLMRFUPYFMTQ-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001483082744 1188444018 /nfs/dbraw/zinc/44/40/18/1188444018.db2.gz VYVGECUJBUTDGJ-PHWHVTFISA-N 2 0 329.488 2.353 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001483099268 1188475533 /nfs/dbraw/zinc/47/55/33/1188475533.db2.gz WYJIAEVJQVXDDY-QULHZPMSSA-N 2 0 329.488 2.366 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001272829484 1193567372 /nfs/dbraw/zinc/56/73/72/1193567372.db2.gz KFWLWRVPSMZQCI-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)co1 ZINC001272883039 1193592005 /nfs/dbraw/zinc/59/20/05/1193592005.db2.gz XRYRCDYQGBCHJU-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184765 1189058036 /nfs/dbraw/zinc/05/80/36/1189058036.db2.gz UWOWUMWQKMZXSL-GFCCVEGCSA-N 2 0 339.842 2.169 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483227207 1189505762 /nfs/dbraw/zinc/50/57/62/1189505762.db2.gz XBKJDWCSNPLIMS-YJBOKZPZSA-N 2 0 349.523 2.240 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409345459 1189556087 /nfs/dbraw/zinc/55/60/87/1189556087.db2.gz AWYMXPSOCFKXJB-GJZGRUSLSA-N 2 0 330.476 2.001 10 0 EEAERP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409372731 1189595079 /nfs/dbraw/zinc/59/50/79/1189595079.db2.gz NCOZNHPEXCRPPN-OLZOCXBDSA-N 2 0 331.451 2.246 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1C ZINC001409422324 1189653406 /nfs/dbraw/zinc/65/34/06/1189653406.db2.gz SSOSOIYNHYHWMO-CVEARBPZSA-N 2 0 347.503 2.328 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001485894002 1193632514 /nfs/dbraw/zinc/63/25/14/1193632514.db2.gz MPOYMAINLIAWBF-GJZGRUSLSA-N 2 0 327.513 2.111 10 0 EEAERP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001409450167 1189698229 /nfs/dbraw/zinc/69/82/29/1189698229.db2.gz UUCRTKHBJJFYMX-OODUJJSMSA-N 2 0 339.911 2.440 10 0 EEAERP CCc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001409523008 1189977764 /nfs/dbraw/zinc/97/77/64/1189977764.db2.gz SVJYQEVUCFXGGF-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001483285965 1190308123 /nfs/dbraw/zinc/30/81/23/1190308123.db2.gz NWVVZAUJDRNOOI-DLBZAZTESA-N 2 0 331.504 2.228 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)c1C ZINC001486095495 1193679714 /nfs/dbraw/zinc/67/97/14/1193679714.db2.gz JLWJLYXEVYSFGY-SJLPKXTDSA-N 2 0 347.503 2.423 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001483484027 1190503333 /nfs/dbraw/zinc/50/33/33/1190503333.db2.gz FRWPDIJMPCVADJ-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001272545751 1190874589 /nfs/dbraw/zinc/87/45/89/1190874589.db2.gz OXCGWJBVPBUCFO-KRWDZBQOSA-N 2 0 344.503 2.060 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483763564 1190995477 /nfs/dbraw/zinc/99/54/77/1190995477.db2.gz KKEFPPDADIGNIQ-MRXNPFEDSA-N 2 0 337.414 2.142 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCCCF ZINC001483825955 1191061556 /nfs/dbraw/zinc/06/15/56/1191061556.db2.gz CHQFMVGFNFZRGK-IXDOHACOSA-N 2 0 325.472 2.286 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](C[C@H](F)CC)C2)C1 ZINC001483847994 1191083482 /nfs/dbraw/zinc/08/34/82/1191083482.db2.gz QFLRFCQIPUQNIW-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001483911206 1191121104 /nfs/dbraw/zinc/12/11/04/1191121104.db2.gz HRUXRPSRMWWDCO-MJGOQNOKSA-N 2 0 349.494 2.490 10 0 EEAERP CC1CCC(C[N@@H+]2CC[C@@](C)(NC(=O)Cc3cncn3C)C2)CC1 ZINC001484068446 1191194966 /nfs/dbraw/zinc/19/49/66/1191194966.db2.gz RJGXGTFHQIXKCR-LADRWXRNSA-N 2 0 332.492 2.370 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(C)ns2)C1 ZINC001484122471 1191222127 /nfs/dbraw/zinc/22/21/27/1191222127.db2.gz GHOZLTRAVLGLNJ-KRWDZBQOSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCCCCF)C1 ZINC001484173560 1191252210 /nfs/dbraw/zinc/25/22/10/1191252210.db2.gz DJSSCBREWIEBLR-SFHVURJKSA-N 2 0 327.488 2.440 10 0 EEAERP C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348439 1191313324 /nfs/dbraw/zinc/31/33/24/1191313324.db2.gz UYIBYNYRSATIHP-ZIAGYGMSSA-N 2 0 339.430 2.243 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ncccc2C)C1 ZINC001484380344 1191323740 /nfs/dbraw/zinc/32/37/40/1191323740.db2.gz IAIIEYGLCWAYPW-ZWKOTPCHSA-N 2 0 346.519 2.306 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001484407519 1191333884 /nfs/dbraw/zinc/33/38/84/1191333884.db2.gz CKSYDPYZZMUIEE-FEFURNDJSA-N 2 0 331.504 2.361 10 0 EEAERP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001484442241 1191350477 /nfs/dbraw/zinc/35/04/77/1191350477.db2.gz FABPCMDRDYXHMA-UYAOXDASSA-N 2 0 347.503 2.033 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C/Cl ZINC001484460169 1191364981 /nfs/dbraw/zinc/36/49/81/1191364981.db2.gz MVYUBJGGUXZULA-HREYTXOFSA-N 2 0 345.890 2.484 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001484471634 1191376281 /nfs/dbraw/zinc/37/62/81/1191376281.db2.gz CRRVMIJKFASTMJ-DLBZAZTESA-N 2 0 325.472 2.145 10 0 EEAERP CC(C)OCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001484472178 1191376836 /nfs/dbraw/zinc/37/68/36/1191376836.db2.gz MZVUFVDMXNZISB-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001484535478 1191398968 /nfs/dbraw/zinc/39/89/68/1191398968.db2.gz IAZAQRCFTSULIG-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC1CCOCC1 ZINC001484769504 1191512373 /nfs/dbraw/zinc/51/23/73/1191512373.db2.gz WMAZVEQIPDBTSI-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc(C[N@H+](C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001484765713 1191520554 /nfs/dbraw/zinc/52/05/54/1191520554.db2.gz OVSQWMAQQNFZLW-SFHVURJKSA-N 2 0 347.503 2.317 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(C[NH+](CC3CCCC3)C2)C1 ZINC001484797939 1191529842 /nfs/dbraw/zinc/52/98/42/1191529842.db2.gz VPHABHJGTGWJMK-ZWKOTPCHSA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484833154 1191546479 /nfs/dbraw/zinc/54/64/79/1191546479.db2.gz XXCVFSGUQMHUGB-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccccc1F ZINC001484905055 1191569765 /nfs/dbraw/zinc/56/97/65/1191569765.db2.gz MYMKKHUGSIFPHP-QAPCUYQASA-N 2 0 335.467 2.494 10 0 EEAERP CC1([NH2+]C/C(Cl)=C\Cl)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484927540 1191573886 /nfs/dbraw/zinc/57/38/86/1191573886.db2.gz QMBNNEOMGFTNLO-JLHYYAGUSA-N 2 0 334.291 2.372 10 0 EEAERP CC(C)COCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484918224 1191575086 /nfs/dbraw/zinc/57/50/86/1191575086.db2.gz HFMPGGUFTNHBHO-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cnc(C)o2)[C@@H](C)C1 ZINC001484985773 1191602764 /nfs/dbraw/zinc/60/27/64/1191602764.db2.gz KOWMJRJCWNUCFD-GOEBONIOSA-N 2 0 336.480 2.184 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC001485069104 1191636279 /nfs/dbraw/zinc/63/62/79/1191636279.db2.gz LUYIVBAWAPLEMW-HNNXBMFYSA-N 2 0 339.430 2.339 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001485195101 1191687813 /nfs/dbraw/zinc/68/78/13/1191687813.db2.gz RWVULRFURLHZPT-UONOGXRCSA-N 2 0 340.537 2.412 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001486160115 1193706213 /nfs/dbraw/zinc/70/62/13/1193706213.db2.gz GGANXGNAJHGXLN-CPMARKCISA-N 2 0 327.900 2.297 10 0 EEAERP CC[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC001486189390 1193731606 /nfs/dbraw/zinc/73/16/06/1193731606.db2.gz UPIXEPKROFAANC-WDSOQIARSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1cnc([C@@H](C)N(C)CCN(C(=O)C[NH+]2CCCC2)C(C)C)cn1 ZINC001486379651 1193890056 /nfs/dbraw/zinc/89/00/56/1193890056.db2.gz MXGMGXCNJDNDEJ-QGZVFWFLSA-N 2 0 347.507 2.111 10 0 EEAERP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001486466435 1193981323 /nfs/dbraw/zinc/98/13/23/1193981323.db2.gz JLLUOYBKSODLHG-CGZBRXJRSA-N 2 0 348.491 2.190 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001272993719 1194301722 /nfs/dbraw/zinc/30/17/22/1194301722.db2.gz JQSQMXBSTPBQII-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018596 1194325680 /nfs/dbraw/zinc/32/56/80/1194325680.db2.gz MUNKYSWEURYSRF-QWHCGFSZSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)Cc1c[nH]cn1 ZINC001273045247 1194350133 /nfs/dbraw/zinc/35/01/33/1194350133.db2.gz RGEDBOSLIVZVCM-LLVKDONJSA-N 2 0 338.814 2.429 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052297 1194357301 /nfs/dbraw/zinc/35/73/01/1194357301.db2.gz KJMBZOSJBVKJSC-YJBOKZPZSA-N 2 0 347.507 2.032 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)co1 ZINC001273053701 1194358282 /nfs/dbraw/zinc/35/82/82/1194358282.db2.gz ZUIBWDRINPRCNP-HUUCEWRRSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@]12CN(C(=O)C[C@@H]([NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702075824 1195714895 /nfs/dbraw/zinc/71/48/95/1195714895.db2.gz DXFQBPXOHBHULM-NLWGTHIKSA-N 2 0 327.472 2.094 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCCCC3)C[C@H]21)C1CCC1 ZINC001410064660 1197533585 /nfs/dbraw/zinc/53/35/85/1197533585.db2.gz JYRNPPXMLAXGQG-LDLYASANSA-N 2 0 333.520 2.345 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001410378074 1197771905 /nfs/dbraw/zinc/77/19/05/1197771905.db2.gz GKFCXDPMOQGUGP-MRXNPFEDSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000872152305 1198058370 /nfs/dbraw/zinc/05/83/70/1198058370.db2.gz OCLJBWLXLJBGMT-MEDUHNTESA-N 2 0 325.815 2.349 10 0 EEAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000872158508 1198064196 /nfs/dbraw/zinc/06/41/96/1198064196.db2.gz VZGTULVEEXLQFW-FUHWJXTLSA-N 2 0 342.549 2.431 10 0 EEAERP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000872204843 1198084528 /nfs/dbraw/zinc/08/45/28/1198084528.db2.gz HQYSKERSQPWAAP-QRQLOZEOSA-N 2 0 334.504 2.399 10 0 EEAERP C[C@@](O)(C[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208003 1198086547 /nfs/dbraw/zinc/08/65/47/1198086547.db2.gz MKHNUOVSCDPADN-NJDAHSKKSA-N 2 0 346.515 2.400 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000872255330 1198113503 /nfs/dbraw/zinc/11/35/03/1198113503.db2.gz BZWQRRAXATZXNR-IMJJTQAJSA-N 2 0 335.835 2.015 10 0 EEAERP C[C@H]1CCCC[C@@H]1NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865245197 1198138178 /nfs/dbraw/zinc/13/81/78/1198138178.db2.gz HNQGQRSIPSLZFP-HZMVEIRTSA-N 2 0 340.581 2.111 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000865801653 1198381531 /nfs/dbraw/zinc/38/15/31/1198381531.db2.gz BPYSIHLRYNKXBR-NJDAHSKKSA-N 2 0 343.515 2.412 10 0 EEAERP Cc1ccncc1C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001410905366 1198561947 /nfs/dbraw/zinc/56/19/47/1198561947.db2.gz PKNXBZAVASHTQD-QUCCMNQESA-N 2 0 344.503 2.345 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cnccc1C)CC2)[NH+](C)C ZINC001410917684 1198580507 /nfs/dbraw/zinc/58/05/07/1198580507.db2.gz WWAVTMDPPWFHFE-NLWGTHIKSA-N 2 0 344.503 2.343 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)sn1 ZINC001411208625 1198915882 /nfs/dbraw/zinc/91/58/82/1198915882.db2.gz KPUJDPMUDQSGQO-LSDHHAIUSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C2CC2)n1 ZINC000870018145 1200409873 /nfs/dbraw/zinc/40/98/73/1200409873.db2.gz WOXXYONHCFXOGV-IAGOWNOFSA-N 2 0 344.503 2.079 10 0 EEAERP C[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023461 1200412877 /nfs/dbraw/zinc/41/28/77/1200412877.db2.gz ZDCBKQNGEUEDCH-CGTJXYLNSA-N 2 0 349.494 2.202 10 0 EEAERP CC(C)Oc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870025461 1200413978 /nfs/dbraw/zinc/41/39/78/1200413978.db2.gz TVMFUYDHWHWYFI-QZTJIDSGSA-N 2 0 347.503 2.285 10 0 EEAERP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870934775 1200965495 /nfs/dbraw/zinc/96/54/95/1200965495.db2.gz FXQUOHMLZNJUFL-HZMBPMFUSA-N 2 0 340.265 2.035 10 0 EEAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000866395877 1201506785 /nfs/dbraw/zinc/50/67/85/1201506785.db2.gz HMBGYAMIBLNTNM-JEBQAFNWSA-N 2 0 333.451 2.379 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866414614 1201512392 /nfs/dbraw/zinc/51/23/92/1201512392.db2.gz QLJQVRQULMOIKZ-WMZOPIPTSA-N 2 0 349.519 2.123 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000866711021 1201587053 /nfs/dbraw/zinc/58/70/53/1201587053.db2.gz ZUVWGBRBXYDTJB-CEXWTWQISA-N 2 0 337.423 2.207 10 0 EEAERP CC(C)[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[NH+](C)C ZINC000882391790 1201864852 /nfs/dbraw/zinc/86/48/52/1201864852.db2.gz GAPQSOVJDWYKKW-RBUKOAKNSA-N 2 0 344.503 2.496 10 0 EEAERP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2c(c1)COCC2 ZINC000883014203 1201996198 /nfs/dbraw/zinc/99/61/98/1201996198.db2.gz LFVXZEMZGFPLPI-MRXNPFEDSA-N 2 0 330.472 2.350 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001274105142 1204372366 /nfs/dbraw/zinc/37/23/66/1204372366.db2.gz GVTYPTUGNQHZJX-DKFQHHCZSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)C1 ZINC001274367999 1205011384 /nfs/dbraw/zinc/01/13/84/1205011384.db2.gz ILHJOTCAVZUACE-AWFCHZOYSA-N 2 0 349.906 2.486 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001274368342 1205011729 /nfs/dbraw/zinc/01/17/29/1205011729.db2.gz LGZUTJHQDWDQDA-JGPFYOFESA-N 2 0 333.451 2.491 10 0 EEAERP Cc1ccccc1OCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001274368370 1205012084 /nfs/dbraw/zinc/01/20/84/1205012084.db2.gz MIFZEERJCHGFIX-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001274759531 1205154402 /nfs/dbraw/zinc/15/44/02/1205154402.db2.gz CGRITJREPUPZCU-GPMSIDNRSA-N 2 0 347.503 2.062 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2ncc(Cl)s2)CC[N@@H+]1C ZINC001276007378 1205631577 /nfs/dbraw/zinc/63/15/77/1205631577.db2.gz RRTOBMDYXKBGOK-VXGBXAGGSA-N 2 0 344.912 2.075 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001276007536 1205631803 /nfs/dbraw/zinc/63/18/03/1205631803.db2.gz UVCKOHFBKXLNOB-RBSFLKMASA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccnnc1 ZINC000924609182 1206003440 /nfs/dbraw/zinc/00/34/40/1206003440.db2.gz BUZGIJUSBVXPNT-QGZVFWFLSA-N 2 0 325.460 2.340 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000925514576 1206121696 /nfs/dbraw/zinc/12/16/96/1206121696.db2.gz NEVQGDXCJHVUTH-GUDVDZBRSA-N 2 0 331.504 2.383 10 0 EEAERP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)C2=O)cc1 ZINC000925602701 1206134448 /nfs/dbraw/zinc/13/44/48/1206134448.db2.gz WLNFIZKRCORNNE-JZXOWHBKSA-N 2 0 345.487 2.292 10 0 EEAERP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C[C@@H]([NH3+])C1 ZINC000925712962 1206145679 /nfs/dbraw/zinc/14/56/79/1206145679.db2.gz RLWAUAWZMVEUHK-QYZOEREBSA-N 3 0 331.504 2.249 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)CO2)CC[NH2+]CC1 ZINC000925734037 1206147793 /nfs/dbraw/zinc/14/77/93/1206147793.db2.gz ZMURFZIWKVENLT-GJZGRUSLSA-N 2 0 326.481 2.103 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000925847006 1206159568 /nfs/dbraw/zinc/15/95/68/1206159568.db2.gz WLLSAOCODOPVNY-FPOVZHCZSA-N 2 0 344.547 2.315 10 0 EEAERP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850693 1206160459 /nfs/dbraw/zinc/16/04/59/1206160459.db2.gz PEWRUDNIVXVCPX-YOEHRIQHSA-N 2 0 344.455 2.348 10 0 EEAERP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851537 1206160877 /nfs/dbraw/zinc/16/08/77/1206160877.db2.gz FZFXXKAWEYXZCM-HUUCEWRRSA-N 2 0 332.444 2.340 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)CC12CC[NH2+]CC2 ZINC000925859690 1206162546 /nfs/dbraw/zinc/16/25/46/1206162546.db2.gz XQUBEQWYMAQFFK-RHSMWYFYSA-N 2 0 329.444 2.208 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925915185 1206167752 /nfs/dbraw/zinc/16/77/52/1206167752.db2.gz INZSEYDGSSJSMI-SFHVURJKSA-N 2 0 347.507 2.202 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)n(C)n1 ZINC000926358140 1206215504 /nfs/dbraw/zinc/21/55/04/1206215504.db2.gz VHBSOUBANWJKOJ-IEBWSBKVSA-N 2 0 347.551 2.055 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000926543119 1206226662 /nfs/dbraw/zinc/22/66/62/1206226662.db2.gz PZDOZUGLWPFWOG-ROELVQCISA-N 2 0 332.492 2.310 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1cccnc1 ZINC000928833580 1206425766 /nfs/dbraw/zinc/42/57/66/1206425766.db2.gz ZMRQTQBTOAITDS-LJQANCHMSA-N 2 0 344.503 2.455 10 0 EEAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC[C@@H](O)c3ccccc3)C2)C1 ZINC000930575985 1206567950 /nfs/dbraw/zinc/56/79/50/1206567950.db2.gz GFDRMVUOJKRAEO-ZCNNSNEGSA-N 2 0 332.488 2.279 10 0 EEAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cn(C)cn1 ZINC000717920510 1211579364 /nfs/dbraw/zinc/57/93/64/1211579364.db2.gz RIDAFQAGAWGRMK-QGZVFWFLSA-N 2 0 342.487 2.488 10 0 EEAERP CN(CCC[NH2+]CCCc1ccsc1)C(=O)C12CC[NH+](CC1)C2 ZINC001276332274 1215750550 /nfs/dbraw/zinc/75/05/50/1215750550.db2.gz DKHVMPIRWIWGKP-UHFFFAOYSA-N 2 0 335.517 2.215 10 0 EEAERP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C12CC[NH+](CC1)C2 ZINC000900441309 1234357307 /nfs/dbraw/zinc/35/73/07/1234357307.db2.gz WRMHWLIZUORVOF-OAHLLOKOSA-N 2 0 333.501 2.172 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900579225 1234512210 /nfs/dbraw/zinc/51/22/10/1234512210.db2.gz PBERNACSPSERRW-KRWDZBQOSA-N 2 0 344.459 2.131 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903496512 1240673538 /nfs/dbraw/zinc/67/35/38/1240673538.db2.gz QNBCWBQIQFGXNA-SZVBFZGTSA-N 2 0 329.488 2.439 10 0 EEAERP C[C@@]1(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)COC(=O)N1 ZINC000903564088 1240954317 /nfs/dbraw/zinc/95/43/17/1240954317.db2.gz PPHAUEJFAJAMMP-IBGZPJMESA-N 2 0 329.444 2.043 10 0 EEAERP FC(F)(F)c1ccnc(NCC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903921060 1242504119 /nfs/dbraw/zinc/50/41/19/1242504119.db2.gz MMCSGVGFBIBIGG-YOGCLGLASA-N 2 0 329.370 2.028 10 0 EEAERP c1ccc([C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCOCC2)cc1 ZINC000903921885 1242509973 /nfs/dbraw/zinc/50/99/73/1242509973.db2.gz SBZIJTUHQPDYHV-ZNBHLAFESA-N 2 0 329.488 2.180 10 0 EEAERP C[C@]1([C@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)COC(=O)N1 ZINC000903986441 1242879023 /nfs/dbraw/zinc/87/90/23/1242879023.db2.gz JQZSELOOPMERDU-SUMWQHHRSA-N 2 0 335.473 2.104 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001276386428 1255462156 /nfs/dbraw/zinc/46/21/56/1255462156.db2.gz AOCPEMPAKLYQHS-OAHLLOKOSA-N 2 0 331.451 2.346 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490984055 1258540056 /nfs/dbraw/zinc/54/00/56/1258540056.db2.gz QDCXLFFPUKMLJI-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[NH+]1CCCCC1 ZINC001491019075 1258575202 /nfs/dbraw/zinc/57/52/02/1258575202.db2.gz ORMVNBBDDRQJAY-BETUJISGSA-N 2 0 335.414 2.440 10 0 EEAERP COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001491025385 1258583540 /nfs/dbraw/zinc/58/35/40/1258583540.db2.gz FVCCABGROCTYFH-IYBDPMFKSA-N 2 0 349.450 2.055 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)sn1 ZINC001491025748 1258584675 /nfs/dbraw/zinc/58/46/75/1258584675.db2.gz DLDUWVSQOWSMCQ-ZNMIVQPWSA-N 2 0 336.505 2.063 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001491052300 1258614947 /nfs/dbraw/zinc/61/49/47/1258614947.db2.gz KOEIEQDLHVCBRO-JKIFEVAISA-N 2 0 339.430 2.288 10 0 EEAERP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120708 1258702930 /nfs/dbraw/zinc/70/29/30/1258702930.db2.gz SWKFWKFMDBBJRA-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491121942 1258707312 /nfs/dbraw/zinc/70/73/12/1258707312.db2.gz CUSNIKKUHITXBZ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001491170231 1258738300 /nfs/dbraw/zinc/73/83/00/1258738300.db2.gz UJRWUNBIUFRBQP-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CO[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C)C1CCC1 ZINC001491235666 1258824508 /nfs/dbraw/zinc/82/45/08/1258824508.db2.gz FVJPORYNSLQBCP-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CO[C@@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCOC1 ZINC000850342527 1277188417 /nfs/dbraw/zinc/18/84/17/1277188417.db2.gz MKZSMGQSVVBNGS-JXFKEZNVSA-N 2 0 347.503 2.363 10 0 EEAERP C[C@@H](O)c1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000850344188 1277189182 /nfs/dbraw/zinc/18/91/82/1277189182.db2.gz CYNFKZVLFSGPIQ-CYBMUJFWSA-N 2 0 339.505 2.177 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2cnc(C)s2)CC[N@@H+]1C ZINC001490194707 1291027359 /nfs/dbraw/zinc/02/73/59/1291027359.db2.gz AMFHDWFORUPYDN-JKSUJKDBSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccccn1 ZINC001490343301 1291158025 /nfs/dbraw/zinc/15/80/25/1291158025.db2.gz DICGMKLUTIXLHX-IRXDYDNUSA-N 2 0 332.492 2.140 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]([NH2+]Cc1cncc(F)c1)C1CC1 ZINC001490740816 1291654511 /nfs/dbraw/zinc/65/45/11/1291654511.db2.gz GVSSUWAYPDNOSJ-GOSISDBHSA-N 2 0 348.466 2.081 10 0 EEAERP C[N@H+](Cc1ccccc1NC(=O)C1=NO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000852854655 1292217081 /nfs/dbraw/zinc/21/70/81/1292217081.db2.gz MHLVMTRZSRHJJK-INIZCTEOSA-N 2 0 344.459 2.493 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)C=C1CC[NH2+]CC1)Cc1ccccc1 ZINC000852858649 1292218222 /nfs/dbraw/zinc/21/82/22/1292218222.db2.gz GIYUSYHKGZDXOM-IBGZPJMESA-N 2 0 329.488 2.366 10 0 EEAERP CC(C)(CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000852859678 1292218517 /nfs/dbraw/zinc/21/85/17/1292218517.db2.gz ZKCWAVPPTQSCQW-UHFFFAOYSA-N 2 0 327.472 2.249 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852888181 1292226914 /nfs/dbraw/zinc/22/69/14/1292226914.db2.gz UMAMZSHULXWXCC-OAHLLOKOSA-N 2 0 328.460 2.033 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCCCC[NH3+])cc1 ZINC000852906737 1292231406 /nfs/dbraw/zinc/23/14/06/1292231406.db2.gz PUBSXTZCBYSMFN-ROUUACIJSA-N 2 0 333.476 2.166 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCC2SCCS2)CC[NH2+]CC1 ZINC000854230486 1292680115 /nfs/dbraw/zinc/68/01/15/1292680115.db2.gz RMGWPSQMQABPBC-LBPRGKRZSA-N 2 0 332.535 2.094 10 0 EEAERP CC(C)[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605015 1293579749 /nfs/dbraw/zinc/57/97/49/1293579749.db2.gz VIXZGFURJLAONL-OALUTQOASA-N 2 0 335.492 2.392 10 0 EEAERP CCc1cc(Cl)cnc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000861608199 1295475079 /nfs/dbraw/zinc/47/50/79/1295475079.db2.gz LONBULGBDVXTGD-UHFFFAOYSA-N 2 0 341.887 2.255 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861702817 1295512861 /nfs/dbraw/zinc/51/28/61/1295512861.db2.gz YPSILZWWVYPWCT-FUHWJXTLSA-N 2 0 329.488 2.355 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549261 1296329961 /nfs/dbraw/zinc/32/99/61/1296329961.db2.gz FVTDIKLEMJKVMC-XWIAVFTESA-N 2 0 345.443 2.013 10 0 EEAERP C[C@@H](Cc1ccccc1)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643602 1296360718 /nfs/dbraw/zinc/36/07/18/1296360718.db2.gz PPSLETNGWVKGFR-IPELMVKDSA-N 2 0 343.471 2.122 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001277001216 1300763231 /nfs/dbraw/zinc/76/32/31/1300763231.db2.gz KTSSFURHMUXQJH-ZQDZILKHSA-N 2 0 347.425 2.440 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc(Cl)n1 ZINC000797602412 1304787200 /nfs/dbraw/zinc/78/72/00/1304787200.db2.gz QRZAJCMFFMRQSR-HNNXBMFYSA-N 2 0 340.899 2.226 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001277923339 1305117684 /nfs/dbraw/zinc/11/76/84/1305117684.db2.gz ZDNNHYIXCKSEJF-QGZVFWFLSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c1 ZINC001278326948 1309461442 /nfs/dbraw/zinc/46/14/42/1309461442.db2.gz YDGICFWEAZYPNH-MJGOQNOKSA-N 2 0 347.503 2.293 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])CC(C)C)cc(Cl)n1 ZINC000841849020 1315622558 /nfs/dbraw/zinc/62/25/58/1315622558.db2.gz MJHGUCMQWSVXKY-CJNGLKHVSA-N 2 0 326.872 2.313 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(Cl)n1 ZINC000841850500 1315622662 /nfs/dbraw/zinc/62/26/62/1315622662.db2.gz CFEUYVLXKXVWDH-UMVBOHGHSA-N 2 0 338.883 2.315 10 0 EEAERP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000843357198 1315899293 /nfs/dbraw/zinc/89/92/93/1315899293.db2.gz BYSUJNKEYZJLJU-GOSISDBHSA-N 2 0 331.460 2.488 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCCCCF)C1 ZINC001263997752 1322581369 /nfs/dbraw/zinc/58/13/69/1322581369.db2.gz CTWXMTYQACEQGX-IXDOHACOSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001264039528 1322596352 /nfs/dbraw/zinc/59/63/52/1322596352.db2.gz WNJUYEDNRYGQSU-KGLIPLIRSA-N 2 0 337.430 2.355 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCCOC)C1)[NH+](C)C ZINC001264119122 1322632169 /nfs/dbraw/zinc/63/21/69/1322632169.db2.gz UQNYLGAXQIWAQA-IAGOWNOFSA-N 2 0 327.513 2.114 10 0 EEAERP CCCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001264748281 1322802813 /nfs/dbraw/zinc/80/28/13/1322802813.db2.gz KBKTVBGGCZVKRH-UHFFFAOYSA-N 2 0 338.521 2.259 10 0 EEAERP CC[N@H+](CCF)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001265114858 1322927718 /nfs/dbraw/zinc/92/77/18/1322927718.db2.gz QZHQGGFVJNMAGU-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCOCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001265481645 1323177125 /nfs/dbraw/zinc/17/71/25/1323177125.db2.gz QDMIIIUYSOHMPW-BQFCYCMXSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001265503523 1323186191 /nfs/dbraw/zinc/18/61/91/1323186191.db2.gz XPSZIRXXIZWEEF-IIAWOOMASA-N 2 0 338.883 2.058 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001265846231 1323421409 /nfs/dbraw/zinc/42/14/09/1323421409.db2.gz KTCAKLIEDGCDJR-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001265938171 1323502932 /nfs/dbraw/zinc/50/29/32/1323502932.db2.gz KJXPYQRSIIWOJZ-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001266008887 1323561566 /nfs/dbraw/zinc/56/15/66/1323561566.db2.gz KSHRLUKGXOGXDR-YFWHOBGESA-N 2 0 327.900 2.299 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)CC1 ZINC001266009515 1323561579 /nfs/dbraw/zinc/56/15/79/1323561579.db2.gz UNENJTPBIUAIOQ-MRXNPFEDSA-N 2 0 347.478 2.148 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)ncn1 ZINC001266075615 1323631963 /nfs/dbraw/zinc/63/19/63/1323631963.db2.gz PEJCOZHWBXSUTB-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001266120198 1323689942 /nfs/dbraw/zinc/68/99/42/1323689942.db2.gz VGYZGORPFDYMNO-GOSISDBHSA-N 2 0 339.524 2.212 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001280198737 1324110489 /nfs/dbraw/zinc/11/04/89/1324110489.db2.gz WLKBJFLXSWYCCP-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001280758481 1324485290 /nfs/dbraw/zinc/48/52/90/1324485290.db2.gz AMUYYXUNDYDZDJ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001282923503 1325836194 /nfs/dbraw/zinc/83/61/94/1325836194.db2.gz GCBSFLIXYQZDLK-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCC[NH2+][C@@H](C)c1cnccn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283260435 1325976809 /nfs/dbraw/zinc/97/68/09/1325976809.db2.gz NCGFZFJPRQHXCC-IRXDYDNUSA-N 2 0 347.507 2.144 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001283704818 1326210747 /nfs/dbraw/zinc/21/07/47/1326210747.db2.gz PGHZDVGGYQXDRR-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccns1)c1ccccc1 ZINC001491641280 1330194704 /nfs/dbraw/zinc/19/47/04/1330194704.db2.gz RQFXKHRMZLYQOU-RHSMWYFYSA-N 2 0 346.500 2.430 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)c1Cl ZINC001491675106 1330222045 /nfs/dbraw/zinc/22/20/45/1330222045.db2.gz RVTHSZQIOINDDH-ZDUSSCGKSA-N 2 0 339.867 2.039 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001491827282 1330265895 /nfs/dbraw/zinc/26/58/95/1330265895.db2.gz YICNOIJOXYRJLZ-SUHDFKPZSA-N 2 0 334.291 2.228 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001491827119 1330265974 /nfs/dbraw/zinc/26/59/74/1330265974.db2.gz XQDYYOPJLRJXKG-LPHOPBHVSA-N 2 0 347.478 2.291 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC001491830904 1330267392 /nfs/dbraw/zinc/26/73/92/1330267392.db2.gz BHRWIUUATKMGHC-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(O)ccc1Cl ZINC001491992293 1330384881 /nfs/dbraw/zinc/38/48/81/1330384881.db2.gz QODASJHFQMUROO-WBMJQRKESA-N 2 0 339.867 2.124 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001316854892 1331937693 /nfs/dbraw/zinc/93/76/93/1331937693.db2.gz XCKLETLPFLKPLD-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccnc(Cl)c1 ZINC001316898226 1331964626 /nfs/dbraw/zinc/96/46/26/1331964626.db2.gz VRBRQFHMCSCPEQ-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001316986586 1332030373 /nfs/dbraw/zinc/03/03/73/1332030373.db2.gz QXARQJZUQZXDQN-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001317066902 1332067635 /nfs/dbraw/zinc/06/76/35/1332067635.db2.gz HWHVNIPTMATAEH-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001317344706 1332188273 /nfs/dbraw/zinc/18/82/73/1332188273.db2.gz UFTINSRGHJQUIK-HOTGVXAUSA-N 2 0 336.480 2.214 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2F)C1)[NH+](C)C ZINC001317345094 1332188282 /nfs/dbraw/zinc/18/82/82/1332188282.db2.gz WSDDSFSREKIWSW-CRAIPNDOSA-N 2 0 335.467 2.147 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317396380 1332213477 /nfs/dbraw/zinc/21/34/77/1332213477.db2.gz FGMQJEHRCOCMSM-QZTJIDSGSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001317412138 1332218401 /nfs/dbraw/zinc/21/84/01/1332218401.db2.gz JBWJPUQQECAGNY-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+](CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001317529249 1332285706 /nfs/dbraw/zinc/28/57/06/1332285706.db2.gz VTBGROOYPGCKLB-QGZVFWFLSA-N 2 0 339.499 2.440 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccccc1 ZINC001317740159 1332394434 /nfs/dbraw/zinc/39/44/34/1332394434.db2.gz ILEAMSNYKYQATN-HDICACEKSA-N 2 0 345.487 2.082 10 0 EEAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317950562 1332450018 /nfs/dbraw/zinc/45/00/18/1332450018.db2.gz YXQNBDBHCCPIQK-VGOKWCNXSA-N 2 0 337.508 2.034 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001318255096 1332497427 /nfs/dbraw/zinc/49/74/27/1332497427.db2.gz MYIPUENLBOYHTO-DLBZAZTESA-N 2 0 325.472 2.357 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001318417634 1332529336 /nfs/dbraw/zinc/52/93/36/1332529336.db2.gz VEKSLMGQUPDJQR-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@](C[NH2+]CCC(F)(F)F)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001318685719 1332577361 /nfs/dbraw/zinc/57/73/61/1332577361.db2.gz JULGTAVHDSPWFJ-GOEBONIOSA-N 2 0 347.425 2.155 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccn3)C2)C1 ZINC001318831827 1332606909 /nfs/dbraw/zinc/60/69/09/1332606909.db2.gz YCDBFHISPYYPNI-MSOLQXFVSA-N 2 0 344.503 2.142 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOC)CC1)c1ccccc1 ZINC001318979408 1332632266 /nfs/dbraw/zinc/63/22/66/1332632266.db2.gz PSWLMWJZRVBADE-GUDVDZBRSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](C[NH2+]CCOC1CCC1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001319541544 1332718392 /nfs/dbraw/zinc/71/83/92/1332718392.db2.gz VIRFZPHXSMPJQG-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001320060450 1332817781 /nfs/dbraw/zinc/81/77/81/1332817781.db2.gz YEJMWOZAQLEGOZ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001320476026 1332892970 /nfs/dbraw/zinc/89/29/70/1332892970.db2.gz LNDFNYUSYWCUOX-MRXNPFEDSA-N 2 0 330.476 2.003 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2conc2C)C1 ZINC001320531070 1332904575 /nfs/dbraw/zinc/90/45/75/1332904575.db2.gz XMADWAHCUUPWMK-ZBFHGGJFSA-N 2 0 336.480 2.089 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCc1ccccc1 ZINC001321119264 1333023062 /nfs/dbraw/zinc/02/30/62/1333023062.db2.gz ABFLTAMQTJCHQM-LIXSYLKWSA-N 2 0 329.488 2.366 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1 ZINC001321419770 1333101166 /nfs/dbraw/zinc/10/11/66/1333101166.db2.gz QBVPXIUSOAPTDQ-SNAWJCMRSA-N 2 0 325.403 2.067 10 0 EEAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322023127 1333197878 /nfs/dbraw/zinc/19/78/78/1333197878.db2.gz FEDXQZBCKMDXSU-LBPRGKRZSA-N 2 0 331.382 2.409 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322042592 1333200857 /nfs/dbraw/zinc/20/08/57/1333200857.db2.gz VKQKQZZETJNCMI-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001322566381 1333284157 /nfs/dbraw/zinc/28/41/57/1333284157.db2.gz MBPVPOQMOJENKI-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CN(CC)CCO1)c1ccccc1 ZINC001322841170 1333338598 /nfs/dbraw/zinc/33/85/98/1333338598.db2.gz DNAXADJVJQJYLF-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326350376 1334074011 /nfs/dbraw/zinc/07/40/11/1334074011.db2.gz AMIRVPCQUWBEBH-KRWDZBQOSA-N 2 0 344.503 2.060 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001327034614 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C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)Cc2ccns2)CC1 ZINC001331067893 1334956840 /nfs/dbraw/zinc/95/68/40/1334956840.db2.gz CAIQXUDQIUMESE-UHFFFAOYSA-N 2 0 338.521 2.298 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001331485370 1335022022 /nfs/dbraw/zinc/02/20/22/1335022022.db2.gz AXOKHDOPNJUXBF-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001332064117 1335717230 /nfs/dbraw/zinc/71/72/30/1335717230.db2.gz LFPYGNQSRXGJHT-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001332274199 1335788372 /nfs/dbraw/zinc/78/83/72/1335788372.db2.gz ZXNKJNWVOFWCOR-OLZOCXBDSA-N 2 0 335.414 2.298 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)C1 ZINC001332880950 1335923877 /nfs/dbraw/zinc/92/38/77/1335923877.db2.gz CMBXOMBBHGRLHS-QWHCGFSZSA-N 2 0 337.430 2.401 10 0 EEAERP CCC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001333446785 1336048643 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339.524 2.068 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)C1CC[NH+](C)CC1 ZINC001568772375 1342852341 /nfs/dbraw/zinc/85/23/41/1342852341.db2.gz SAEFKHHPZSQYGN-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001570183385 1343029034 /nfs/dbraw/zinc/02/90/34/1343029034.db2.gz JLEXNYAAPOXNKV-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001570361617 1343061156 /nfs/dbraw/zinc/06/11/56/1343061156.db2.gz HBLOZMBUEBJTTN-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001571168974 1343165678 /nfs/dbraw/zinc/16/56/78/1343165678.db2.gz WQESPQCDRMUKGC-QBPKDAKJSA-N 2 0 327.488 2.482 10 0 EEAERP CCOCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001571650339 1343262332 /nfs/dbraw/zinc/26/23/32/1343262332.db2.gz OMSJFTDSXBZWSM-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001676461512 1357153536 /nfs/dbraw/zinc/15/35/36/1357153536.db2.gz MFEOAOAGHUOMLS-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)[C@@H]1C ZINC001676695824 1357182411 /nfs/dbraw/zinc/18/24/11/1357182411.db2.gz ZUAIOBSPWAUZMJ-DZGCQCFKSA-N 2 0 338.883 2.154 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001676973952 1357253193 /nfs/dbraw/zinc/25/31/93/1357253193.db2.gz CVIDKAUSKBTMNZ-DUIXZTDISA-N 2 0 327.900 2.489 10 0 EEAERP Cc1ncsc1CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001677281677 1357307226 /nfs/dbraw/zinc/30/72/26/1357307226.db2.gz MFGGJAWWNJIONK-HNNXBMFYSA-N 2 0 340.537 2.066 10 0 EEAERP CC[C@H](C[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1)OC ZINC001677575226 1357360256 /nfs/dbraw/zinc/36/02/56/1357360256.db2.gz UQDFKXRWYNDAAR-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001626976762 1352479520 /nfs/dbraw/zinc/47/95/20/1352479520.db2.gz AXCLGEQXSFMVIO-MOPGFXCFSA-N 2 0 329.488 2.451 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001647453318 1353283070 /nfs/dbraw/zinc/28/30/70/1353283070.db2.gz UKTQAFQGTQEWIR-CABCVRRESA-N 2 0 337.430 2.056 10 0 EEAERP c1cnc(Oc2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2)cn1 ZINC001655304414 1354169870 /nfs/dbraw/zinc/16/98/70/1354169870.db2.gz DYNHVOFIVLLUAP-UHFFFAOYSA-N 2 0 342.443 2.471 10 0 EEAERP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001660476246 1354470558 /nfs/dbraw/zinc/47/05/58/1354470558.db2.gz UFWFNXJMXSPRNU-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001661323663 1354627898 /nfs/dbraw/zinc/62/78/98/1354627898.db2.gz IJEYSWCPBIDCMO-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001662219928 1354764566 /nfs/dbraw/zinc/76/45/66/1354764566.db2.gz RHGSRSYLCMEKEH-QFBILLFUSA-N 2 0 329.488 2.055 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001662319511 1354780007 /nfs/dbraw/zinc/78/00/07/1354780007.db2.gz JRLJPEDJNIILJZ-VXGBXAGGSA-N 2 0 336.307 2.006 10 0 EEAERP CN1CCO[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001663039472 1354899742 /nfs/dbraw/zinc/89/97/42/1354899742.db2.gz LPGJLHYNZYBDST-MOPGFXCFSA-N 2 0 349.519 2.178 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1)C12CC[NH+](CC1)C2 ZINC001663119143 1354921112 /nfs/dbraw/zinc/92/11/12/1354921112.db2.gz CZIWWJWZVRVNNQ-SFHVURJKSA-N 2 0 342.487 2.038 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001663625179 1355003225 /nfs/dbraw/zinc/00/32/25/1355003225.db2.gz NJQLOHNRMRZYOX-QGZVFWFLSA-N 2 0 327.488 2.296 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC/C=C\c2ccccc2)CC[N@@H+]1C ZINC001663942856 1355058510 /nfs/dbraw/zinc/05/85/10/1355058510.db2.gz ZQXSEAQWGFANMT-YIEHMZNDSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001664063550 1355085039 /nfs/dbraw/zinc/08/50/39/1355085039.db2.gz IVXXKXNINZLEDG-UHFFFAOYSA-N 2 0 349.438 2.438 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cncs1 ZINC001664513347 1355182670 /nfs/dbraw/zinc/18/26/70/1355182670.db2.gz GWSQQZRNRRCKJV-UHFFFAOYSA-N 2 0 338.521 2.344 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001665681833 1355358548 /nfs/dbraw/zinc/35/85/48/1355358548.db2.gz OKTQQKRCUZJQMR-SFHVURJKSA-N 2 0 347.503 2.460 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001666800211 1355592907 /nfs/dbraw/zinc/59/29/07/1355592907.db2.gz IEVXQDHFVSJCRY-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CCCCC1 ZINC001667151971 1355658844 /nfs/dbraw/zinc/65/88/44/1355658844.db2.gz YAMWXEOGXCMUOF-AEFFLSMTSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667307227 1355706042 /nfs/dbraw/zinc/70/60/42/1355706042.db2.gz SJEPTYPLVORNJQ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001668233967 1355905116 /nfs/dbraw/zinc/90/51/16/1355905116.db2.gz ABIFQECBVSFWPJ-INIZCTEOSA-N 2 0 349.523 2.180 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274406 1355913664 /nfs/dbraw/zinc/91/36/64/1355913664.db2.gz RPEAFIMXALMHKU-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668641778 1355978396 /nfs/dbraw/zinc/97/83/96/1355978396.db2.gz UHZVSCWWFALNDZ-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001668977208 1356059377 /nfs/dbraw/zinc/05/93/77/1356059377.db2.gz DWUQEVWSBZNFKM-SHCNBLLESA-N 2 0 345.487 2.038 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001669002280 1356065556 /nfs/dbraw/zinc/06/55/56/1356065556.db2.gz WZYAFPHCADYFPY-NQHOJNORSA-N 2 0 329.435 2.026 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669039252 1356073915 /nfs/dbraw/zinc/07/39/15/1356073915.db2.gz LHMHINSQBNMGLZ-MPNWYJEXSA-N 2 0 343.462 2.416 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001669207395 1356125784 /nfs/dbraw/zinc/12/57/84/1356125784.db2.gz MVEDLVUZZHCJJK-CWDCEQMOSA-N 2 0 336.505 2.026 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1C ZINC001670245915 1356302839 /nfs/dbraw/zinc/30/28/39/1356302839.db2.gz JGNRNEHZIHCKFG-INIZCTEOSA-N 2 0 347.503 2.284 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(Cl)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001670312538 1356317443 /nfs/dbraw/zinc/31/74/43/1356317443.db2.gz KBVIBJWGLKDDHH-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP Cc1cccc(CCC[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001670345777 1356323719 /nfs/dbraw/zinc/32/37/19/1356323719.db2.gz ZILRTEKBTYFLLO-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)C[NH+]1CCCC1 ZINC001670345110 1356324183 /nfs/dbraw/zinc/32/41/83/1356324183.db2.gz PLPLSGLMVFQNSM-GOSISDBHSA-N 2 0 343.515 2.325 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671893162 1356433787 /nfs/dbraw/zinc/43/37/87/1356433787.db2.gz ZKMLLHCBUTUULP-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001671898991 1356434373 /nfs/dbraw/zinc/43/43/73/1356434373.db2.gz WJBPBFGVJNXLTF-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCCF)C3)CC1 ZINC001672161528 1356471262 /nfs/dbraw/zinc/47/12/62/1356471262.db2.gz SHSMQEVJQJOKTG-ULQDDVLXSA-N 2 0 339.499 2.437 10 0 EEAERP CCOCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001672320699 1356500914 /nfs/dbraw/zinc/50/09/14/1356500914.db2.gz MVVONYQVAQILRB-APWZRJJASA-N 2 0 347.503 2.082 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCCC(F)(F)F)C[C@@H]3C2)C1 ZINC001672442317 1356524120 /nfs/dbraw/zinc/52/41/20/1356524120.db2.gz DFZCRZQGMPAKIF-KFWWJZLASA-N 2 0 347.425 2.061 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672536837 1356548487 /nfs/dbraw/zinc/54/84/87/1356548487.db2.gz DWCGSVJCHVFRQY-IAGOWNOFSA-N 2 0 348.491 2.280 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCCCCF)C1 ZINC001672537724 1356549018 /nfs/dbraw/zinc/54/90/18/1356549018.db2.gz KICIQRRXABYYMZ-GVDBMIGSSA-N 2 0 325.472 2.143 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C3CC3)no2)C1)[NH+](C)C ZINC001672896544 1356609380 /nfs/dbraw/zinc/60/93/80/1356609380.db2.gz HUZJHSNFVHAXLR-KSSFIOAISA-N 2 0 348.491 2.220 10 0 EEAERP CCC1([NH2+]CCCOC(C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001673626086 1356719404 /nfs/dbraw/zinc/71/94/04/1356719404.db2.gz YSHRYPMCOKNWEZ-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCOC2CCC2)ccc2c[nH+]cn21 ZINC001674687828 1356876343 /nfs/dbraw/zinc/87/63/43/1356876343.db2.gz VWBKSSAEQJBYCM-UONOGXRCSA-N 2 0 344.459 2.308 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCCOc1ccccc1 ZINC001674948854 1356915501 /nfs/dbraw/zinc/91/55/01/1356915501.db2.gz MQYVMPDZOZQMSI-IEBWSBKVSA-N 2 0 347.503 2.376 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001675782041 1357049076 /nfs/dbraw/zinc/04/90/76/1357049076.db2.gz PHVQPOGNCMMMNN-XSLAGTTESA-N 2 0 339.524 2.016 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001698700999 1405019040 /nfs/dbraw/zinc/01/90/40/1405019040.db2.gz GKASOZYYKCSONL-MRXNPFEDSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001698716664 1405020042 /nfs/dbraw/zinc/02/00/42/1405020042.db2.gz QMMSNPWMJUYHSG-CVEARBPZSA-N 2 0 335.467 2.482 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCCF)cc1)C12CCC[NH+]1CCC2 ZINC001698716235 1405020508 /nfs/dbraw/zinc/02/05/08/1405020508.db2.gz GQNMMRHZJUPCLL-UHFFFAOYSA-N 2 0 333.451 2.380 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698771785 1405053365 /nfs/dbraw/zinc/05/33/65/1405053365.db2.gz QDVRXYSYQAFBFV-CHWSQXEVSA-N 2 0 348.318 2.008 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001699108955 1405265006 /nfs/dbraw/zinc/26/50/06/1405265006.db2.gz XXETZZAYSCGICY-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001699761360 1405471181 /nfs/dbraw/zinc/47/11/81/1405471181.db2.gz CFTXFOPTZFBIQI-STQMWFEESA-N 2 0 334.291 2.228 10 0 EEAERP C[C@@]1(NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@H+](CCCCCF)C1 ZINC001699828022 1405514224 /nfs/dbraw/zinc/51/42/24/1405514224.db2.gz WFUQYJZQGKZHIP-MSOLQXFVSA-N 2 0 325.472 2.193 10 0 EEAERP CCCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCOCC1 ZINC001699883453 1405550301 /nfs/dbraw/zinc/55/03/01/1405550301.db2.gz VTAIWSZNDQSYCB-UHFFFAOYSA-N 2 0 339.524 2.306 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1 ZINC001699885775 1405551573 /nfs/dbraw/zinc/55/15/73/1405551573.db2.gz SLBCEKOPRNCLBX-UHFFFAOYSA-N 2 0 337.508 2.084 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccn1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699947488 1405597732 /nfs/dbraw/zinc/59/77/32/1405597732.db2.gz DZQAUXQWMDBBTJ-IAGOWNOFSA-N 2 0 332.492 2.140 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925875826 779814730 /nfs/dbraw/zinc/81/47/30/779814730.db2.gz NSFYHYUDARFZHS-NFAWXSAZSA-N 2 0 325.478 2.226 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817927428 785044228 /nfs/dbraw/zinc/04/42/28/785044228.db2.gz KPBYMHJQRWHGTJ-BLWXERESSA-N 2 0 343.427 2.350 10 0 EEAERP Cc1ccccc1[C@@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000818987611 785351715 /nfs/dbraw/zinc/35/17/15/785351715.db2.gz DMVPOOXIANDGPN-FQEVSTJZSA-N 2 0 331.504 2.177 10 0 EEAERP C[C@@](C[NH3+])([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000923295887 789327508 /nfs/dbraw/zinc/32/75/08/789327508.db2.gz JRFLITNWDGQJRJ-ABAIWWIYSA-N 2 0 333.259 2.450 10 0 EEAERP c1ccc(C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC2CCOCC2)cc1 ZINC000923313699 789352531 /nfs/dbraw/zinc/35/25/31/789352531.db2.gz WSEHNOAULSGDTE-LJQANCHMSA-N 2 0 330.472 2.294 10 0 EEAERP O=C1N[C@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923381212 789464262 /nfs/dbraw/zinc/46/42/62/789464262.db2.gz SIOPTXNEWPZCDY-ZWKOTPCHSA-N 2 0 346.519 2.177 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000923412492 789519544 /nfs/dbraw/zinc/51/95/44/789519544.db2.gz YBJWKOJOAHKIFM-UTUOFQBUSA-N 2 0 333.259 2.260 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1C ZINC000923447779 789559875 /nfs/dbraw/zinc/55/98/75/789559875.db2.gz WYZFJTPACLCHKW-INIZCTEOSA-N 2 0 332.444 2.111 10 0 EEAERP CCc1cc2oc(=O)cc(CN3CC[NH2+]CC[NH2+]CC3)c2cc1Cl ZINC000923460114 789592738 /nfs/dbraw/zinc/59/27/38/789592738.db2.gz QJTVSCMUYZGNCS-UHFFFAOYSA-N 2 0 349.862 2.004 10 0 EEAERP Clc1ccc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)cc1 ZINC000923462577 789599063 /nfs/dbraw/zinc/59/90/63/789599063.db2.gz LJOSHDKBQVNUGA-UHFFFAOYSA-N 2 0 336.892 2.458 10 0 EEAERP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923498248 789676494 /nfs/dbraw/zinc/67/64/94/789676494.db2.gz KGDRTYUWAXHYSE-SJLPKXTDSA-N 2 0 347.503 2.049 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499157 789680746 /nfs/dbraw/zinc/68/07/46/789680746.db2.gz KQTKGRDNLZRMJC-HZPDHXFCSA-N 2 0 335.517 2.202 10 0 EEAERP O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000846218719 790092434 /nfs/dbraw/zinc/09/24/34/790092434.db2.gz WYXAMOMCIKDEQO-LJQANCHMSA-N 2 0 327.472 2.309 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000913939948 794622430 /nfs/dbraw/zinc/62/24/30/794622430.db2.gz QDTHSUSVCBBQCU-YJBOKZPZSA-N 2 0 330.476 2.174 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000914023921 794758113 /nfs/dbraw/zinc/75/81/13/794758113.db2.gz MYYYTXYTUCLBFO-YJBOKZPZSA-N 2 0 332.492 2.419 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000914150222 795002345 /nfs/dbraw/zinc/00/23/45/795002345.db2.gz MINYNGRPMXEAMY-KURKYZTESA-N 2 0 345.491 2.000 10 0 EEAERP OC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000716688831 796442175 /nfs/dbraw/zinc/44/21/75/796442175.db2.gz BTQWRURJZURINZ-OTWHNJEPSA-N 2 0 330.472 2.171 10 0 EEAERP CO[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716690376 796442648 /nfs/dbraw/zinc/44/26/48/796442648.db2.gz FVXRYNJMLQPLDH-LWYYNNOASA-N 2 0 330.472 2.435 10 0 EEAERP COCCN(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716692441 796443250 /nfs/dbraw/zinc/44/32/50/796443250.db2.gz MCDQYKHJUGHRGV-ZCNNSNEGSA-N 2 0 331.504 2.207 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000916836899 797911901 /nfs/dbraw/zinc/91/19/01/797911901.db2.gz PNLIUTKEPHLMOE-SJLPKXTDSA-N 2 0 347.507 2.106 10 0 EEAERP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000788976240 807802403 /nfs/dbraw/zinc/80/24/03/807802403.db2.gz ZNSOLPGHZDXMSQ-HNNXBMFYSA-N 2 0 332.366 2.174 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566071349 1125544081 /nfs/dbraw/zinc/54/40/81/1125544081.db2.gz JCJMGWKRLATZOU-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001566453629 1125612855 /nfs/dbraw/zinc/61/28/55/1125612855.db2.gz FNCFWXHVCUJYDB-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001566457129 1125617550 /nfs/dbraw/zinc/61/75/50/1125617550.db2.gz ULYMMRVIRJLZBL-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC001436425168 1087790370 /nfs/dbraw/zinc/79/03/70/1087790370.db2.gz YFLOMHMWPXFQEQ-OFQRWUPVSA-N 2 0 343.462 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](Cc3cccnc3)[C@@H]2C1(C)C ZINC001436448662 1087875107 /nfs/dbraw/zinc/87/51/07/1087875107.db2.gz QSCQYISBAUTVIW-QRQLOZEOSA-N 2 0 344.503 2.139 10 0 EEAERP CCc1ccccc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436827595 1088433085 /nfs/dbraw/zinc/43/30/85/1088433085.db2.gz NXTUDMZAVXGIDN-IBGZPJMESA-N 2 0 329.488 2.329 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCc4ccccc43)C2)CC1 ZINC001436968108 1088661547 /nfs/dbraw/zinc/66/15/47/1088661547.db2.gz ZKXAVCXGLZXYHA-SOLBZPMBSA-N 2 0 327.472 2.253 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCC[NH+](CCF)C1 ZINC001436990226 1088706326 /nfs/dbraw/zinc/70/63/26/1088706326.db2.gz HACYMUNLWRRWBW-HNNXBMFYSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(CN2CCCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)co1 ZINC001437036202 1088880863 /nfs/dbraw/zinc/88/08/63/1088880863.db2.gz IYNUZCGNMVGYPC-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001437124571 1089106521 /nfs/dbraw/zinc/10/65/21/1089106521.db2.gz NQDQOVJTDKRTPK-NHYWBVRUSA-N 2 0 327.831 2.168 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1Cl ZINC001437127143 1089111364 /nfs/dbraw/zinc/11/13/64/1089111364.db2.gz DCULWEIZPDXKGR-LALPHHSUSA-N 2 0 341.858 2.414 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001437262469 1089404180 /nfs/dbraw/zinc/40/41/80/1089404180.db2.gz PCRIPXVBBWYEBD-SJKOYZFVSA-N 2 0 339.430 2.387 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001437306565 1089462141 /nfs/dbraw/zinc/46/21/41/1089462141.db2.gz FNPLJEWOTWLVSZ-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ncccc2C)C1)[NH+](CC)CC ZINC001438197380 1090690916 /nfs/dbraw/zinc/69/09/16/1090690916.db2.gz LHFMZFMLELJGJY-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001438234162 1090714884 /nfs/dbraw/zinc/71/48/84/1090714884.db2.gz URYFJWBDACPJQG-MSOLQXFVSA-N 2 0 339.524 2.207 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)sc1C ZINC001438380394 1090864293 /nfs/dbraw/zinc/86/42/93/1090864293.db2.gz UNPVJQVTGRDFTH-LSDHHAIUSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1conc1C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001438388462 1090873641 /nfs/dbraw/zinc/87/36/41/1090873641.db2.gz OMXZRZFGHYYLKR-QGZVFWFLSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc2cnc(C)o2)C2CC2)CC[N@@H+]1C ZINC001438422283 1090917072 /nfs/dbraw/zinc/91/70/72/1090917072.db2.gz RDIZGRYZHYULTK-SCTDSRPQSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001438440060 1090941773 /nfs/dbraw/zinc/94/17/73/1090941773.db2.gz GERSYPUBRFRPRD-BZUAXINKSA-N 2 0 325.472 2.380 10 0 EEAERP COCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001438648942 1091133915 /nfs/dbraw/zinc/13/39/15/1091133915.db2.gz GVOBYFDYNTVQNN-INIZCTEOSA-N 2 0 347.503 2.254 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001438665042 1091153677 /nfs/dbraw/zinc/15/36/77/1091153677.db2.gz JOHATKYWFODAIJ-CQSZACIVSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001438670066 1091159006 /nfs/dbraw/zinc/15/90/06/1091159006.db2.gz QVTILZOCXHUYRO-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1sc(C)nc1C ZINC001445558581 1091333154 /nfs/dbraw/zinc/33/31/54/1091333154.db2.gz GWXWCLYPBPSHHZ-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001438763874 1091337503 /nfs/dbraw/zinc/33/75/03/1091337503.db2.gz FKYMSKVKDSZDPH-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cncs2)C1 ZINC001438775282 1091364955 /nfs/dbraw/zinc/36/49/55/1091364955.db2.gz UYBUZNLBBNHRLL-HUUCEWRRSA-N 2 0 338.521 2.200 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445588350 1091376931 /nfs/dbraw/zinc/37/69/31/1091376931.db2.gz HXNMTKPARXIKOT-KKXDTOCCSA-N 2 0 333.451 2.392 10 0 EEAERP Cc1cccnc1C[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001438780794 1091378857 /nfs/dbraw/zinc/37/88/57/1091378857.db2.gz XIYAEMZLNGBQOA-UHFFFAOYSA-N 2 0 346.519 2.402 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445746159 1091576708 /nfs/dbraw/zinc/57/67/08/1091576708.db2.gz IXSBULSBEMBDNW-KDOFPFPSSA-N 2 0 333.451 2.104 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001439110676 1091754850 /nfs/dbraw/zinc/75/48/50/1091754850.db2.gz MVKSJRNJXQPRLS-QAPCUYQASA-N 2 0 333.476 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC001439284454 1091945036 /nfs/dbraw/zinc/94/50/36/1091945036.db2.gz JIJIRLRCLBGYKS-YJBOKZPZSA-N 2 0 349.523 2.241 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN2Cc2ccc3c(c2)CCC3)C1 ZINC001446091740 1092117642 /nfs/dbraw/zinc/11/76/42/1092117642.db2.gz DZEGPAYSPTZZEK-UZLBHIALSA-N 2 0 341.499 2.208 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001439378600 1092120753 /nfs/dbraw/zinc/12/07/53/1092120753.db2.gz LLZHEWJKYFPORX-SJORKVTESA-N 2 0 327.513 2.111 10 0 EEAERP C[C@@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439405380 1092164615 /nfs/dbraw/zinc/16/46/15/1092164615.db2.gz GYOMSXMIHZRVOF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001439424148 1092191639 /nfs/dbraw/zinc/19/16/39/1092191639.db2.gz SSDQSBUQKAESTG-MJGOQNOKSA-N 2 0 347.503 2.412 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001439477084 1092274501 /nfs/dbraw/zinc/27/45/01/1092274501.db2.gz XWHURBTYCGOIKV-CZUORRHYSA-N 2 0 344.459 2.325 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CC2)CC1 ZINC001439484562 1092292604 /nfs/dbraw/zinc/29/26/04/1092292604.db2.gz QXOWZSDZWYQGJY-QGZVFWFLSA-N 2 0 335.517 2.464 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1cccnc1C ZINC001439702129 1092656999 /nfs/dbraw/zinc/65/69/99/1092656999.db2.gz ZEKNGIGOTSNOTQ-KDURUIRLSA-N 2 0 344.503 2.297 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001439942409 1093046845 /nfs/dbraw/zinc/04/68/45/1093046845.db2.gz QIPDTUCFTIWQQR-LPHOPBHVSA-N 2 0 348.491 2.186 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001440142250 1093204826 /nfs/dbraw/zinc/20/48/26/1093204826.db2.gz CZHLQQJZTGPDMO-IXDOHACOSA-N 2 0 327.488 2.103 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001440197190 1093267429 /nfs/dbraw/zinc/26/74/29/1093267429.db2.gz WTWDIXIKDIIQDE-OKZBNKHCSA-N 2 0 339.524 2.063 10 0 EEAERP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001440339066 1093486002 /nfs/dbraw/zinc/48/60/02/1093486002.db2.gz DYICBUYMGFDCDM-JYJNAYRXSA-N 2 0 339.524 2.159 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@@H]1CCOC1 ZINC001448707255 1093774496 /nfs/dbraw/zinc/77/44/96/1093774496.db2.gz WXHSMOHRZSSTDA-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]C/C=C\Cl ZINC001448729029 1093799519 /nfs/dbraw/zinc/79/95/19/1093799519.db2.gz SUXLKOFNWBQQQZ-MRTSUBRMSA-N 2 0 333.879 2.388 10 0 EEAERP C[C@H](F)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001440538802 1093804358 /nfs/dbraw/zinc/80/43/58/1093804358.db2.gz OQXSUIOZDCLFLT-YJBOKZPZSA-N 2 0 335.467 2.229 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001440583890 1093850808 /nfs/dbraw/zinc/85/08/08/1093850808.db2.gz VPGPRPDJUZJEBH-RTWZZBQXSA-N 2 0 327.900 2.440 10 0 EEAERP CCCOc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001448777713 1093855574 /nfs/dbraw/zinc/85/55/74/1093855574.db2.gz DIXLVCDUDXHXDZ-FUHWJXTLSA-N 2 0 347.503 2.364 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001440653500 1093924661 /nfs/dbraw/zinc/92/46/61/1093924661.db2.gz PMGFVPFBWPKTPD-ZBFHGGJFSA-N 2 0 336.480 2.046 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCOC2(CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001440690226 1093942595 /nfs/dbraw/zinc/94/25/95/1093942595.db2.gz RRQWEXGSLTUXMQ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CCN1C(=O)CCC[NH+](C)C ZINC001448976614 1093980897 /nfs/dbraw/zinc/98/08/97/1093980897.db2.gz GLBJIQFNNPLDIT-APWZRJJASA-N 2 0 346.519 2.173 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449021560 1094026671 /nfs/dbraw/zinc/02/66/71/1094026671.db2.gz UZFHAJBYDMFYRZ-HKUYNNGSSA-N 2 0 348.491 2.190 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC001440844727 1094102630 /nfs/dbraw/zinc/10/26/30/1094102630.db2.gz DOUQHGWFKVLKLF-NEPJUHHUSA-N 2 0 326.510 2.085 10 0 EEAERP CC(C)n1ccc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)n1 ZINC001440859179 1094120081 /nfs/dbraw/zinc/12/00/81/1094120081.db2.gz NDMRKFCRTNOMMX-UHFFFAOYSA-N 2 0 349.523 2.275 10 0 EEAERP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001440924094 1094177542 /nfs/dbraw/zinc/17/75/42/1094177542.db2.gz JRLYLYHNUAPMKP-VQIMIIECSA-N 2 0 329.488 2.273 10 0 EEAERP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C[C@@H]1CCOC1 ZINC001440951333 1094205587 /nfs/dbraw/zinc/20/55/87/1094205587.db2.gz FQBDPJJLAFVGQD-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001440960672 1094217214 /nfs/dbraw/zinc/21/72/14/1094217214.db2.gz SWYTVVKTLVPKEX-OAHLLOKOSA-N 2 0 342.487 2.446 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001441015795 1094295097 /nfs/dbraw/zinc/29/50/97/1094295097.db2.gz XRORLNJKVRPMKF-YJBOKZPZSA-N 2 0 346.519 2.402 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001449355668 1094318765 /nfs/dbraw/zinc/31/87/65/1094318765.db2.gz ZMFUYFBXCRZEIJ-XAHVKCOTSA-N 2 0 327.900 2.297 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCC4CCC4)C[C@H]32)CCC1 ZINC001441296063 1094735106 /nfs/dbraw/zinc/73/51/06/1094735106.db2.gz DZNVPDQBXPWMIP-NNZMDNLPSA-N 2 0 333.520 2.345 10 0 EEAERP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]3C2)o1 ZINC001441340326 1094831502 /nfs/dbraw/zinc/83/15/02/1094831502.db2.gz NDLDCBYGQPNXKC-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001441367253 1094891588 /nfs/dbraw/zinc/89/15/88/1094891588.db2.gz UNHFPBHXXZUBBF-SHTZXODSSA-N 2 0 339.430 2.289 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC001441603653 1095454493 /nfs/dbraw/zinc/45/44/93/1095454493.db2.gz GNIKUATWTMQOQD-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001441988303 1096190711 /nfs/dbraw/zinc/19/07/11/1096190711.db2.gz FCIQEMLEJAKNRK-XJKSGUPXSA-N 2 0 336.480 2.149 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001441988230 1096191173 /nfs/dbraw/zinc/19/11/73/1096191173.db2.gz FCIQEMLEJAKNRK-BBRMVZONSA-N 2 0 336.480 2.149 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001442071852 1096285436 /nfs/dbraw/zinc/28/54/36/1096285436.db2.gz XNZOXOVZZYJGIZ-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CC[NH+]1CCCCC1 ZINC001442188001 1096460101 /nfs/dbraw/zinc/46/01/01/1096460101.db2.gz ZVFFXAQDPZDFLV-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001442251577 1096553038 /nfs/dbraw/zinc/55/30/38/1096553038.db2.gz GKUUOOOCQZNNPD-BEFAXECRSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001442252522 1096553959 /nfs/dbraw/zinc/55/39/59/1096553959.db2.gz KOBWYKWDBUHEPC-CZUORRHYSA-N 2 0 336.480 2.149 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1 ZINC001442310444 1096626820 /nfs/dbraw/zinc/62/68/20/1096626820.db2.gz XEDIVKVSKILRHI-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP CO[C@@H](C[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001442533692 1096892556 /nfs/dbraw/zinc/89/25/56/1096892556.db2.gz BEVVXRPQYVLIJI-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccc(F)c1 ZINC001442704480 1097074695 /nfs/dbraw/zinc/07/46/95/1097074695.db2.gz MZLWIKGIXGHUEK-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001442813516 1097198863 /nfs/dbraw/zinc/19/88/63/1097198863.db2.gz TXQPUOFKLKYPME-RTBURBONSA-N 2 0 329.488 2.417 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001442909379 1097315291 /nfs/dbraw/zinc/31/52/91/1097315291.db2.gz UOJAKCTUJZPZFU-HZPDHXFCSA-N 2 0 333.451 2.106 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCc2ccccc21 ZINC001443695855 1098202111 /nfs/dbraw/zinc/20/21/11/1098202111.db2.gz ZYKWCCNCJHKFTC-JENIJYKNSA-N 2 0 327.472 2.299 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001479525088 1098591774 /nfs/dbraw/zinc/59/17/74/1098591774.db2.gz LIGOAZCITRPHKL-WBVHZDCISA-N 2 0 336.480 2.122 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+][C@@H](C)c2cnc(C)cn2)CCCC1)[NH+](C)C ZINC001444072686 1098596164 /nfs/dbraw/zinc/59/61/64/1098596164.db2.gz PKLIHRJFUCAMJA-DOTOQJQBSA-N 2 0 347.507 2.205 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479691282 1098753908 /nfs/dbraw/zinc/75/39/08/1098753908.db2.gz XUZKMUXMNTZWEI-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]C[C@H]1CCOC1 ZINC001444344508 1098908723 /nfs/dbraw/zinc/90/87/23/1098908723.db2.gz GDKAGPNGKPQCIO-HZPDHXFCSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001444372760 1098947357 /nfs/dbraw/zinc/94/73/57/1098947357.db2.gz FZVYAODFOUMLPJ-CYBMUJFWSA-N 2 0 338.521 2.025 10 0 EEAERP Cc1cccc(C)c1OCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001479812495 1099075575 /nfs/dbraw/zinc/07/55/75/1099075575.db2.gz NMIADRYOKIRKFU-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001479830206 1099111293 /nfs/dbraw/zinc/11/12/93/1099111293.db2.gz PIWYJISSAVNTAH-WMLDXEAASA-N 2 0 336.480 2.184 10 0 EEAERP CCN(CC=C(Cl)Cl)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479844074 1099135450 /nfs/dbraw/zinc/13/54/50/1099135450.db2.gz XMYGJHQRGINOKY-CQSZACIVSA-N 2 0 348.318 2.475 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cncc(C)c1 ZINC001479852297 1099151011 /nfs/dbraw/zinc/15/10/11/1099151011.db2.gz DOUXNUOOUBHEJV-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001444633628 1099461160 /nfs/dbraw/zinc/46/11/60/1099461160.db2.gz OWOHIQIJSPTYEG-KBXCAEBGSA-N 2 0 348.491 2.327 10 0 EEAERP O=C(NC[C@H]([NH2+]CC=C(Cl)Cl)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001480020621 1099498675 /nfs/dbraw/zinc/49/86/75/1099498675.db2.gz JTUAGRIDJBAYSV-KGLIPLIRSA-N 2 0 346.302 2.132 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1)c1cnccn1 ZINC001444788967 1099699880 /nfs/dbraw/zinc/69/98/80/1099699880.db2.gz OGWPZDIIFYSIDH-CRAIPNDOSA-N 2 0 347.507 2.144 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001444794891 1099709060 /nfs/dbraw/zinc/70/90/60/1099709060.db2.gz UBFWHOMNJIBEJW-QGZVFWFLSA-N 2 0 336.480 2.089 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001480155822 1099727132 /nfs/dbraw/zinc/72/71/32/1099727132.db2.gz FKNKHHZWFREIPH-SHTZXODSSA-N 2 0 325.403 2.313 10 0 EEAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccns1)[NH+](C)C ZINC001480183070 1099769533 /nfs/dbraw/zinc/76/95/33/1099769533.db2.gz UDPIUMMSKAELEN-HUORLRHWSA-N 2 0 336.505 2.095 10 0 EEAERP COCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480187092 1099779870 /nfs/dbraw/zinc/77/98/70/1099779870.db2.gz BFUZBYOJRVXELM-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CC[C@H]2CCCO2)CC1 ZINC001444833227 1099784736 /nfs/dbraw/zinc/78/47/36/1099784736.db2.gz DCNIPSXUSYVNLB-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001480299226 1100015735 /nfs/dbraw/zinc/01/57/35/1100015735.db2.gz BDLFYUXQGYETGB-INIZCTEOSA-N 2 0 327.488 2.295 10 0 EEAERP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)C12CC[NH+](CC1)C2 ZINC001445070979 1100274430 /nfs/dbraw/zinc/27/44/30/1100274430.db2.gz KGZREQBEKOMJQU-SFHVURJKSA-N 2 0 327.472 2.160 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001480485646 1100296506 /nfs/dbraw/zinc/29/65/06/1100296506.db2.gz FJBGOOQQLCHCLU-MRXNPFEDSA-N 2 0 345.487 2.166 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@H]1CCCOC1 ZINC001480491913 1100304171 /nfs/dbraw/zinc/30/41/71/1100304171.db2.gz XJGRBSCBVQRKID-HZPDHXFCSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cncs1)C1CCC1 ZINC001445104181 1100336660 /nfs/dbraw/zinc/33/66/60/1100336660.db2.gz CRUVTVLWTKJZGC-BBRMVZONSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)oc1C ZINC001445114839 1100356792 /nfs/dbraw/zinc/35/67/92/1100356792.db2.gz ORDWIQYAHPGCJI-HZPDHXFCSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001480571990 1100415555 /nfs/dbraw/zinc/41/55/55/1100415555.db2.gz QFAMPKWKQHYAKE-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001496211288 1100758238 /nfs/dbraw/zinc/75/82/38/1100758238.db2.gz UWWQBLSGXLEVTM-XJKSGUPXSA-N 2 0 340.899 2.258 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001495168040 1100842122 /nfs/dbraw/zinc/84/21/22/1100842122.db2.gz KXQJNQFKEVLDTD-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP Cc1ccncc1C[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495201926 1100882985 /nfs/dbraw/zinc/88/29/85/1100882985.db2.gz BAWJVVCCCFEIMZ-QGZVFWFLSA-N 2 0 344.503 2.250 10 0 EEAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001446475196 1100900690 /nfs/dbraw/zinc/90/06/90/1100900690.db2.gz GZHGNWCPKZFHKB-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC001495303953 1101005008 /nfs/dbraw/zinc/00/50/08/1101005008.db2.gz SCLXUKQHHXRSQK-QFBILLFUSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001496465071 1101057028 /nfs/dbraw/zinc/05/70/28/1101057028.db2.gz WWMXOSPFPBDZIZ-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)s1 ZINC001496481071 1101072329 /nfs/dbraw/zinc/07/23/29/1101072329.db2.gz NDMITCVNWLYJGA-BBRMVZONSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001446603204 1101100411 /nfs/dbraw/zinc/10/04/11/1101100411.db2.gz QVQCDHPMCKGDLU-HXUWFJFHSA-N 2 0 341.499 2.419 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496630196 1101236164 /nfs/dbraw/zinc/23/61/64/1101236164.db2.gz UQLUGOWYXZROPI-SFHVURJKSA-N 2 0 329.488 2.321 10 0 EEAERP CC(C)[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cncs1 ZINC001496638499 1101243671 /nfs/dbraw/zinc/24/36/71/1101243671.db2.gz FNTBZGJKRSYXLN-INIZCTEOSA-N 2 0 338.521 2.250 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CCCC1(F)F)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496836914 1101567650 /nfs/dbraw/zinc/56/76/50/1101567650.db2.gz WDODYWCHLHTPEJ-GJZGRUSLSA-N 2 0 331.451 2.154 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001495785559 1101595562 /nfs/dbraw/zinc/59/55/62/1101595562.db2.gz LYEFXIVDAIBRHL-MRXNPFEDSA-N 2 0 341.499 2.113 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cccc(F)c1Cl ZINC001495810056 1101626051 /nfs/dbraw/zinc/62/60/51/1101626051.db2.gz VJLWMICBTFAIJG-CYBMUJFWSA-N 2 0 341.858 2.417 10 0 EEAERP C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446946472 1101638689 /nfs/dbraw/zinc/63/86/89/1101638689.db2.gz VOBIEUVBCPOMDD-GOEBONIOSA-N 2 0 335.517 2.417 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001447076985 1101937938 /nfs/dbraw/zinc/93/79/38/1101937938.db2.gz JEFQLOHDTRPCKF-IRXDYDNUSA-N 2 0 347.507 2.016 10 0 EEAERP CC(C)CN1CCOC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001447134600 1102053529 /nfs/dbraw/zinc/05/35/29/1102053529.db2.gz DPNKFCPFXNSEJW-KRWDZBQOSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001496097582 1102054904 /nfs/dbraw/zinc/05/49/04/1102054904.db2.gz IDTXUWOIFOGFTM-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1 ZINC001496097581 1102055584 /nfs/dbraw/zinc/05/55/84/1102055584.db2.gz IDTXUWOIFOGFTM-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001497206117 1102124897 /nfs/dbraw/zinc/12/48/97/1102124897.db2.gz PHOTXWTXUKXASU-YPMHNXCESA-N 2 0 346.928 2.367 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)o1 ZINC001497299839 1102279380 /nfs/dbraw/zinc/27/93/80/1102279380.db2.gz VCLIURNQUYCZNO-AWEZNQCLSA-N 2 0 336.480 2.008 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001497306927 1102289408 /nfs/dbraw/zinc/28/94/08/1102289408.db2.gz CKCFORIRBOYARM-ZFWWWQNUSA-N 2 0 332.448 2.152 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)o1 ZINC001497329564 1102333643 /nfs/dbraw/zinc/33/36/43/1102333643.db2.gz CLQLTZNUONTXGG-GOEBONIOSA-N 2 0 336.480 2.096 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C[NH+]1CCC(C)CC1 ZINC001497472003 1102542231 /nfs/dbraw/zinc/54/22/31/1102542231.db2.gz VMOJAVUPXYSVLW-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)o1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001497472410 1102543790 /nfs/dbraw/zinc/54/37/90/1102543790.db2.gz CJSQMROKWAXQPB-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN([C@H](C)c3ccccc3)C2)C1 ZINC001447419421 1102618937 /nfs/dbraw/zinc/61/89/37/1102618937.db2.gz SETNEFJBELWDPM-AEFFLSMTSA-N 2 0 345.487 2.049 10 0 EEAERP Cc1cncn1CC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C(C)C ZINC001447433854 1102646676 /nfs/dbraw/zinc/64/66/76/1102646676.db2.gz MZIZRDBWODAFRM-SFHVURJKSA-N 2 0 326.444 2.143 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001497601304 1102730759 /nfs/dbraw/zinc/73/07/59/1102730759.db2.gz KJOCJRCZHSISEJ-GFUIURDCSA-N 2 0 344.912 2.145 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497601352 1102730796 /nfs/dbraw/zinc/73/07/96/1102730796.db2.gz QUCBGVAYFPHKFM-BWPKMQGJSA-N 2 0 336.505 2.088 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001497620871 1102761623 /nfs/dbraw/zinc/76/16/23/1102761623.db2.gz MIOPXKFNTZVOMM-MJSXRHKHSA-N 2 0 343.462 2.414 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001447536306 1102804433 /nfs/dbraw/zinc/80/44/33/1102804433.db2.gz FNPCVEIBDVAKDX-KXBFYZLASA-N 2 0 340.471 2.123 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001497683681 1102896510 /nfs/dbraw/zinc/89/65/10/1102896510.db2.gz RMOMNAKGRDOSMF-BKFNIVOESA-N 2 0 347.478 2.342 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cncc(F)c2)C1 ZINC001497733535 1102983305 /nfs/dbraw/zinc/98/33/05/1102983305.db2.gz YPJYUKJKFCDVNY-MUURBNQUSA-N 2 0 348.466 2.103 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH]cn2)s1 ZINC001447851988 1103446978 /nfs/dbraw/zinc/44/69/78/1103446978.db2.gz FDMQRGGVIAERRF-MNOVXSKESA-N 2 0 335.477 2.099 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)n1 ZINC001447904689 1103561902 /nfs/dbraw/zinc/56/19/02/1103561902.db2.gz IIPKJJJWNQGQDF-DLBZAZTESA-N 2 0 346.519 2.413 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001447907370 1103567181 /nfs/dbraw/zinc/56/71/81/1103567181.db2.gz LJQDCOMSLLDCPV-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001447908188 1103570656 /nfs/dbraw/zinc/57/06/56/1103570656.db2.gz SMTRSXAMWDEIFU-RYUDHWBXSA-N 2 0 326.510 2.085 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001447920621 1103601615 /nfs/dbraw/zinc/60/16/15/1103601615.db2.gz OIGGVZUUVNSTAZ-QWHCGFSZSA-N 2 0 327.419 2.289 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494330458 1103901979 /nfs/dbraw/zinc/90/19/79/1103901979.db2.gz XUQQTQYJFQVTGX-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(CF)cc1 ZINC001448089656 1103977539 /nfs/dbraw/zinc/97/75/39/1103977539.db2.gz FCQQPERDSRBBAN-CVEARBPZSA-N 2 0 335.467 2.434 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCOC(C)C)C2)CC[N@@H+]1C ZINC001494826759 1104420981 /nfs/dbraw/zinc/42/09/81/1104420981.db2.gz ICPXMBCEYMKIRB-FGTMMUONSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001495060115 1104697286 /nfs/dbraw/zinc/69/72/86/1104697286.db2.gz XOWZGEGFNGNEMO-JKSUJKDBSA-N 2 0 341.540 2.264 10 0 EEAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495068181 1104708297 /nfs/dbraw/zinc/70/82/97/1104708297.db2.gz AIWNERZENSQTOE-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC001497993908 1106751276 /nfs/dbraw/zinc/75/12/76/1106751276.db2.gz UTVUBZNFKNZFEL-CHWSQXEVSA-N 2 0 327.419 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001480646422 1106813236 /nfs/dbraw/zinc/81/32/36/1106813236.db2.gz RWQMCUBGTWXQDF-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001480737050 1107011770 /nfs/dbraw/zinc/01/17/70/1107011770.db2.gz LKYNBMRDNWASTE-SFHVURJKSA-N 2 0 349.523 2.171 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1Cl ZINC001498189589 1107050347 /nfs/dbraw/zinc/05/03/47/1107050347.db2.gz CYIVLFVBGXHDJZ-ZDUSSCGKSA-N 2 0 339.867 2.039 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC[C@@H]1CCCCO1 ZINC001480798686 1107137765 /nfs/dbraw/zinc/13/77/65/1107137765.db2.gz JIDGFNYGQXDBIZ-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CCC[C@H]2CCCNC(=O)CC[NH+](C)C)o1 ZINC001480830909 1107221382 /nfs/dbraw/zinc/22/13/82/1107221382.db2.gz QKNGLHRBTFXWPO-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP C[C@H](C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001498374198 1107412805 /nfs/dbraw/zinc/41/28/05/1107412805.db2.gz CUEGGRVJAAINSE-CHWSQXEVSA-N 2 0 327.419 2.414 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001498424259 1107495177 /nfs/dbraw/zinc/49/51/77/1107495177.db2.gz DBKNERBNYFNHBI-MRXNPFEDSA-N 2 0 345.487 2.036 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001498425971 1107498630 /nfs/dbraw/zinc/49/86/30/1107498630.db2.gz AJLAWXJAJNEVHC-HOTGVXAUSA-N 2 0 345.487 2.289 10 0 EEAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001498576716 1107750873 /nfs/dbraw/zinc/75/08/73/1107750873.db2.gz DENRLGQRKLOHTK-CQSZACIVSA-N 2 0 333.411 2.067 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493269115 1107819481 /nfs/dbraw/zinc/81/94/81/1107819481.db2.gz XHZGWIUXBSSGRC-FUHWJXTLSA-N 2 0 348.491 2.042 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498655987 1107906434 /nfs/dbraw/zinc/90/64/34/1107906434.db2.gz YAXZGAXXOMQOKI-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498822828 1108169592 /nfs/dbraw/zinc/16/95/92/1108169592.db2.gz SJVREHGANXZNOX-QFBILLFUSA-N 2 0 339.499 2.483 10 0 EEAERP Cc1cncc(C[NH+](CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C2CC2)c1 ZINC001493448695 1108172940 /nfs/dbraw/zinc/17/29/40/1108172940.db2.gz FDODPKIDKHKYOM-CALCHBBNSA-N 2 0 344.503 2.343 10 0 EEAERP CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC[NH+]1CCCCC1 ZINC001460084398 1110255366 /nfs/dbraw/zinc/25/53/66/1110255366.db2.gz AZVGXGLJMKTWGM-UHFFFAOYSA-N 2 0 344.547 2.222 10 0 EEAERP CN(C(=O)CC[N@@H+]1CC[C@H](F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC001465078467 1110410772 /nfs/dbraw/zinc/41/07/72/1110410772.db2.gz XJSKECNRFDYOCY-HNNXBMFYSA-N 2 0 337.439 2.024 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001472317835 1110551682 /nfs/dbraw/zinc/55/16/82/1110551682.db2.gz FAZVVYQIVILUQC-IYWMVGAKSA-N 2 0 341.499 2.498 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C)C[C@H]1Cc1ccccc1 ZINC001478575789 1110655286 /nfs/dbraw/zinc/65/52/86/1110655286.db2.gz VYCITWYGXUNPKW-IEBWSBKVSA-N 2 0 346.519 2.285 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001479271536 1110673432 /nfs/dbraw/zinc/67/34/32/1110673432.db2.gz NMLRGBGNNKVIMR-OALUTQOASA-N 2 0 345.487 2.003 10 0 EEAERP CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479340769 1110683414 /nfs/dbraw/zinc/68/34/14/1110683414.db2.gz KFGLVAZOYWHVMA-UWUNEBHHSA-N 2 0 329.488 2.329 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001499128244 1112138802 /nfs/dbraw/zinc/13/88/02/1112138802.db2.gz UZOZXFFUQFKSMO-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP CCc1ccccc1CC[NH2+]C1(CNC(=O)Cn2cncc2C)CC1 ZINC001499290348 1112220023 /nfs/dbraw/zinc/22/00/23/1112220023.db2.gz VYSLPCDYYYFFBC-UHFFFAOYSA-N 2 0 340.471 2.235 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001499482329 1112313351 /nfs/dbraw/zinc/31/33/51/1112313351.db2.gz UREVHNALYXCTGS-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC001499857649 1112516909 /nfs/dbraw/zinc/51/69/09/1112516909.db2.gz LWQYMULHTWZADM-RDJZCZTQSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCc3ccsc3)C2)C1 ZINC001500401454 1112803968 /nfs/dbraw/zinc/80/39/68/1112803968.db2.gz FTZMKFMOJQCTRL-PKOBYXMFSA-N 2 0 349.544 2.461 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC001500401908 1112804803 /nfs/dbraw/zinc/80/48/03/1112804803.db2.gz KPXOLQXYVVWKDW-LJQANCHMSA-N 2 0 348.491 2.222 10 0 EEAERP CC[C@@H](C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001501600718 1113395763 /nfs/dbraw/zinc/39/57/63/1113395763.db2.gz OHNRPMYSGNHUMU-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001501613141 1113399802 /nfs/dbraw/zinc/39/98/02/1113399802.db2.gz ZAVYSCCUDAVDRH-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2(NCc3nccs3)CCC2)CC[N@@H+]1C ZINC001501951920 1113534288 /nfs/dbraw/zinc/53/42/88/1113534288.db2.gz FKCDRACTDVIRFE-UONOGXRCSA-N 2 0 336.505 2.002 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC001501995836 1113551872 /nfs/dbraw/zinc/55/18/72/1113551872.db2.gz KKXFXOBQRJDMBA-GFCCVEGCSA-N 2 0 336.307 2.151 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCC1([NH2+]Cc2c(C)nsc2C)CCC1 ZINC001502020728 1113561813 /nfs/dbraw/zinc/56/18/13/1113561813.db2.gz HGQRQVBATUTYEQ-UHFFFAOYSA-N 2 0 347.488 2.163 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001502094578 1113584988 /nfs/dbraw/zinc/58/49/88/1113584988.db2.gz JWNPBQMVLCUCAP-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001502345265 1113637134 /nfs/dbraw/zinc/63/71/34/1113637134.db2.gz AXWWGSFLAKZOFR-UHFFFAOYSA-N 2 0 344.503 2.238 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001502923078 1113856802 /nfs/dbraw/zinc/85/68/02/1113856802.db2.gz MXNPCOZIZUFEAN-DLBZAZTESA-N 2 0 349.523 2.218 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001503623483 1113893652 /nfs/dbraw/zinc/89/36/52/1113893652.db2.gz CTLJIPQLOSPWPW-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CCc1ccccc1 ZINC001505465315 1114000257 /nfs/dbraw/zinc/00/02/57/1114000257.db2.gz HJWLWKGSUDMVIP-LJQANCHMSA-N 2 0 331.504 2.492 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001505621316 1114090265 /nfs/dbraw/zinc/09/02/65/1114090265.db2.gz FYYKPVIVSZNIMM-CHWSQXEVSA-N 2 0 339.430 2.432 10 0 EEAERP CC(C)COCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505634022 1114098596 /nfs/dbraw/zinc/09/85/96/1114098596.db2.gz UUOKVGMCJUWQAO-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCOCC1 ZINC001505937454 1114289584 /nfs/dbraw/zinc/28/95/84/1114289584.db2.gz DYOFYPVLQDMQIL-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCCC(F)(F)F ZINC001506039711 1114366431 /nfs/dbraw/zinc/36/64/31/1114366431.db2.gz ZDIINENJLHSKSJ-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCC(F)(F)F)CCCCC2)C1 ZINC001506526777 1114675252 /nfs/dbraw/zinc/67/52/52/1114675252.db2.gz VEOFBDOJANOSIG-CYBMUJFWSA-N 2 0 335.414 2.299 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001506848475 1114911182 /nfs/dbraw/zinc/91/11/82/1114911182.db2.gz AVDCOHKKKIALPX-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@@H]2C1 ZINC001506851210 1114913738 /nfs/dbraw/zinc/91/37/38/1114913738.db2.gz CRQMOLFWAGOBPD-HZSPNIEDSA-N 2 0 348.318 2.474 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CCC[N@H+](CCCCCF)C3)CC1 ZINC001506865887 1114934806 /nfs/dbraw/zinc/93/48/06/1114934806.db2.gz MHQPEJQYJBDYMA-UHFFFAOYSA-N 2 0 339.499 2.392 10 0 EEAERP CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001506876051 1114944908 /nfs/dbraw/zinc/94/49/08/1114944908.db2.gz VEFWQUSRPWANIT-KRWDZBQOSA-N 2 0 349.519 2.012 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001506879510 1114947413 /nfs/dbraw/zinc/94/74/13/1114947413.db2.gz ZVGCLVKCYNEMFR-VAMGGRTRSA-N 2 0 343.515 2.370 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001506895070 1114956818 /nfs/dbraw/zinc/95/68/18/1114956818.db2.gz SMGIGPMACUQKJC-SAABIXHNSA-N 2 0 329.488 2.321 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506913779 1114968829 /nfs/dbraw/zinc/96/88/29/1114968829.db2.gz JDPWMCVGLCJJJF-CJNGLKHVSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001506945988 1114994188 /nfs/dbraw/zinc/99/41/88/1114994188.db2.gz YUCYPIWEDXJTHW-MRXNPFEDSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)sn1 ZINC001507095825 1115105732 /nfs/dbraw/zinc/10/57/32/1115105732.db2.gz JKBMOAXURGJAQP-AWEZNQCLSA-N 2 0 336.505 2.016 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001507118454 1115117677 /nfs/dbraw/zinc/11/76/77/1115117677.db2.gz NYRFWAZFZRDDRU-CHWSQXEVSA-N 2 0 327.419 2.414 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507326988 1115194213 /nfs/dbraw/zinc/19/42/13/1115194213.db2.gz OFBKODRRBYFSRB-SJORKVTESA-N 2 0 341.540 2.216 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507359226 1115219964 /nfs/dbraw/zinc/21/99/64/1115219964.db2.gz YHPABXPGIVSGQN-JENIJYKNSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001507655671 1115315903 /nfs/dbraw/zinc/31/59/03/1115315903.db2.gz ICRGFNIQMDRJNM-RHSMWYFYSA-N 2 0 346.475 2.054 10 0 EEAERP Cc1ncccc1C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001508067913 1115409878 /nfs/dbraw/zinc/40/98/78/1115409878.db2.gz KFURKTYFYBGOQD-QGZVFWFLSA-N 2 0 346.519 2.447 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001508162681 1115431577 /nfs/dbraw/zinc/43/15/77/1115431577.db2.gz OZVGSLSLNZYSMT-INIZCTEOSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCCCCF)CC2)CC1 ZINC001508220463 1115449948 /nfs/dbraw/zinc/44/99/48/1115449948.db2.gz KGGSHTPKTUTANL-UHFFFAOYSA-N 2 0 325.472 2.216 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567976534 1124214431 /nfs/dbraw/zinc/21/44/31/1124214431.db2.gz FLJKWKDVSBMPDG-GDBMZVCRSA-N 2 0 340.899 2.306 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001568071708 1124276830 /nfs/dbraw/zinc/27/68/30/1124276830.db2.gz AWDCEPHQENSTOR-OAHLLOKOSA-N 2 0 338.521 2.203 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001568076847 1124282107 /nfs/dbraw/zinc/28/21/07/1124282107.db2.gz SHHYHUCEFVGYGZ-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C[NH2+]C/C=C\Cl ZINC001568196726 1124349639 /nfs/dbraw/zinc/34/96/39/1124349639.db2.gz XYUOTSZXRJUHKS-XNCCQSLQSA-N 2 0 349.906 2.426 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)on1 ZINC001568368955 1124441255 /nfs/dbraw/zinc/44/12/55/1124441255.db2.gz HRXHZQKNYSPMSQ-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP CN(CC[N@H+](C)CCCCc1ccccc1)C(=O)[C@H]1CCC[NH+]1C ZINC001568476479 1124534759 /nfs/dbraw/zinc/53/47/59/1124534759.db2.gz BBQRQQIMCZGMQI-LJQANCHMSA-N 2 0 331.504 2.494 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001568541117 1124601815 /nfs/dbraw/zinc/60/18/15/1124601815.db2.gz FIBFHLSOLYRFCN-PKTLASISSA-N 2 0 327.900 2.345 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncc(F)c1 ZINC001568639117 1124651924 /nfs/dbraw/zinc/65/19/24/1124651924.db2.gz KNRJNZLTPQIWDE-PBHICJAKSA-N 2 0 336.455 2.080 10 0 EEAERP CCc1ccccc1CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568710220 1124727429 /nfs/dbraw/zinc/72/74/29/1124727429.db2.gz JWPOFYXWVNCQNE-LPHOPBHVSA-N 2 0 331.504 2.228 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568713643 1124730875 /nfs/dbraw/zinc/73/08/75/1124730875.db2.gz HQZRUGARPRINDC-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001568911886 1124939201 /nfs/dbraw/zinc/93/92/01/1124939201.db2.gz IIEMFQNFLDDPBC-IHWYPQMZSA-N 2 0 335.879 2.444 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001569011493 1125040421 /nfs/dbraw/zinc/04/04/21/1125040421.db2.gz PZTJAHKAEMVQDP-QGZVFWFLSA-N 2 0 347.503 2.343 10 0 EEAERP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001569171581 1125143999 /nfs/dbraw/zinc/14/39/99/1125143999.db2.gz ZPYSMPFOIZBRGU-KAKYJUDNSA-N 2 0 325.884 2.099 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)n1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001569257738 1125199515 /nfs/dbraw/zinc/19/95/15/1125199515.db2.gz KDVFZSCIXXTKFA-UHFFFAOYSA-N 2 0 349.866 2.374 10 0 EEAERP Cn1c2ccc(C[NH+]3CCC(OCC[NH+](C)C)CC3)cc2sc1=O ZINC000353660975 282106943 /nfs/dbraw/zinc/10/69/43/282106943.db2.gz VTVNAMGZQIJGNX-UHFFFAOYSA-N 2 0 349.500 2.143 10 0 EEAERP NC(=[NH2+])c1ccc(OCCCCOc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000003785147 210074776 /nfs/dbraw/zinc/07/47/76/210074776.db2.gz KXHZWUUTWSKONE-UHFFFAOYSA-N 2 0 326.400 2.493 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC000422811249 240238922 /nfs/dbraw/zinc/23/89/22/240238922.db2.gz OWAOOCDBZSETED-KGLIPLIRSA-N 2 0 348.443 2.387 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCC(=O)Nc1cccc(Cl)c1C ZINC000422856146 240260863 /nfs/dbraw/zinc/26/08/63/240260863.db2.gz DTGWTIVNZIERIY-ZDUSSCGKSA-N 2 0 327.856 2.321 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)CC[NH2+]CC1 ZINC000422974946 240313637 /nfs/dbraw/zinc/31/36/37/240313637.db2.gz FSTWLKHYOAGKQD-RDJZCZTQSA-N 2 0 328.497 2.085 10 0 EEAERP CN([C@@H](C[NH3+])c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000022161586 212280628 /nfs/dbraw/zinc/28/06/28/212280628.db2.gz FHBSPYBYDMRBCJ-HNNXBMFYSA-N 2 0 326.282 2.475 10 0 EEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000022176538 212280040 /nfs/dbraw/zinc/28/00/40/212280040.db2.gz SJYOSIKNVLOJDG-OAHLLOKOSA-N 2 0 326.282 2.477 10 0 EEAERP COc1cc2c(cc1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1)O[C@H](C)C2 ZINC000069347321 202988287 /nfs/dbraw/zinc/98/82/87/202988287.db2.gz JBEFSLHPOKZKMT-LSDHHAIUSA-N 2 0 348.487 2.201 10 0 EEAERP Cc1nn(C)c(C)c1CCN1Cc2ccc(C[NH+](C)C)cc2[C@H]1C[NH3+] ZINC000071683877 203103753 /nfs/dbraw/zinc/10/37/53/203103753.db2.gz KKPCMTLLBMDWCN-HXUWFJFHSA-N 2 0 341.503 2.157 10 0 EEAERP C[NH+](C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(Cc1ccc3c(c1)OCO3)C2 ZINC000071683873 203104116 /nfs/dbraw/zinc/10/41/16/203104116.db2.gz KQYPJRJKCVOQFQ-GOSISDBHSA-N 2 0 339.439 2.493 10 0 EEAERP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105861962 204172468 /nfs/dbraw/zinc/17/24/68/204172468.db2.gz SWCOFXXNXAVTOV-SJORKVTESA-N 2 0 347.503 2.347 10 0 EEAERP CCN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000105862377 204173169 /nfs/dbraw/zinc/17/31/69/204173169.db2.gz JLEJCFGXZLZWPD-QGZVFWFLSA-N 2 0 347.503 2.064 10 0 EEAERP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268835315 252285048 /nfs/dbraw/zinc/28/50/48/252285048.db2.gz LNQHWVAZKCJDMJ-HMXCVIKNSA-N 2 0 345.531 2.476 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000073010015 292169238 /nfs/dbraw/zinc/16/92/38/292169238.db2.gz QGHAWGWJUDABHS-LJQANCHMSA-N 2 0 331.504 2.396 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000119106702 292241223 /nfs/dbraw/zinc/24/12/23/292241223.db2.gz GDEHGEJJHMWOJS-UHFFFAOYSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000192798869 160174445 /nfs/dbraw/zinc/17/44/45/160174445.db2.gz HSHOYTIFBVYTEV-UHFFFAOYSA-N 2 0 345.535 2.010 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1-n1cncn1 ZINC000246204546 160267475 /nfs/dbraw/zinc/26/74/75/160267475.db2.gz MBMHPYXKEQOFOC-PKOBYXMFSA-N 2 0 325.460 2.492 10 0 EEAERP Cc1nccn1C[C@@H]1CCCN1[C@H](C)c1nnnn1-c1ccccc1 ZINC000246945847 160302791 /nfs/dbraw/zinc/30/27/91/160302791.db2.gz HWKXRSDQTIUAFQ-PBHICJAKSA-N 2 0 337.431 2.393 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246998574 160304798 /nfs/dbraw/zinc/30/47/98/160304798.db2.gz PNKLUSIDYMRIJY-RTBURBONSA-N 2 0 344.503 2.374 10 0 EEAERP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](O)C(F)(F)F ZINC000344335116 161217903 /nfs/dbraw/zinc/21/79/03/161217903.db2.gz RCQGLHHKVQFMTE-KBPBESRZSA-N 2 0 328.338 2.367 10 0 EEAERP COc1cc(C)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)n1 ZINC000359219113 164086866 /nfs/dbraw/zinc/08/68/66/164086866.db2.gz DTGCHQGRAXUBSM-UHFFFAOYSA-N 2 0 333.476 2.251 10 0 EEAERP C[C@@H](CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1cccnc1 ZINC000359930288 164198320 /nfs/dbraw/zinc/19/83/20/164198320.db2.gz CEDSXJSAECTAHE-INIZCTEOSA-N 2 0 344.503 2.250 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000423075546 274048499 /nfs/dbraw/zinc/04/84/99/274048499.db2.gz XHURZGJOFHEPGI-HNNXBMFYSA-N 2 0 337.855 2.073 10 0 EEAERP CC(C)(C)[C@H](O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357456 275111210 /nfs/dbraw/zinc/11/12/10/275111210.db2.gz GWAGGAKLBXQQPN-VQTJNVASSA-N 2 0 345.531 2.286 10 0 EEAERP C[NH+](C)CCC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000292538567 275444378 /nfs/dbraw/zinc/44/43/78/275444378.db2.gz LDUAKCDJEHOSFI-UHFFFAOYSA-N 2 0 327.476 2.490 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000337354386 290388111 /nfs/dbraw/zinc/38/81/11/290388111.db2.gz CUMAPAVZJMTSQH-FUHWJXTLSA-N 2 0 332.492 2.463 10 0 EEAERP C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)C1 ZINC000293633849 293257015 /nfs/dbraw/zinc/25/70/15/293257015.db2.gz FOOHJITUEYIFQH-FQEVSTJZSA-N 2 0 327.472 2.450 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297583224 294287118 /nfs/dbraw/zinc/28/71/18/294287118.db2.gz HZLKRHQTLLCOAF-HNNXBMFYSA-N 2 0 329.448 2.254 10 0 EEAERP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000414682145 313063198 /nfs/dbraw/zinc/06/31/98/313063198.db2.gz XVKQIBCVSWUAAN-SJLPKXTDSA-N 2 0 347.503 2.145 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416812282 313322939 /nfs/dbraw/zinc/32/29/39/313322939.db2.gz DPUMOBYBMLEJJI-APWZRJJASA-N 2 0 346.475 2.202 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000416839784 313331698 /nfs/dbraw/zinc/33/16/98/313331698.db2.gz KHKOVVMMKGLLBQ-IPMKNSEASA-N 2 0 344.503 2.463 10 0 EEAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416877863 313345384 /nfs/dbraw/zinc/34/53/84/313345384.db2.gz VDRLDHBWEMPVOQ-SFHVURJKSA-N 2 0 332.492 2.455 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000416891365 313350985 /nfs/dbraw/zinc/35/09/85/313350985.db2.gz URAINESFTDLHFP-QAPCUYQASA-N 2 0 332.492 2.326 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416893676 313352273 /nfs/dbraw/zinc/35/22/73/313352273.db2.gz CBWQWOITHDFZNK-KDURUIRLSA-N 2 0 342.487 2.033 10 0 EEAERP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[NH2+]1 ZINC000416900268 313354350 /nfs/dbraw/zinc/35/43/50/313354350.db2.gz IIDCLCCZMBPBSW-MRXNPFEDSA-N 2 0 330.476 2.176 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000416949302 313369907 /nfs/dbraw/zinc/36/99/07/313369907.db2.gz HBSKFMDOFLNPFR-KSZLIROESA-N 2 0 336.524 2.423 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000416978938 313380517 /nfs/dbraw/zinc/38/05/17/313380517.db2.gz GOUMUXCXUZEJAR-MAUKXSAKSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417219916 313453609 /nfs/dbraw/zinc/45/36/09/313453609.db2.gz XGGRFPUHEDJNFC-SOLBZPMBSA-N 2 0 332.492 2.495 10 0 EEAERP Cc1c(Cl)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)nn1C ZINC000421355187 314090808 /nfs/dbraw/zinc/09/08/08/314090808.db2.gz IRYMNJNNXKAGON-UHFFFAOYSA-N 2 0 329.920 2.087 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nn(C)c(C)c1Cl ZINC000421360061 314091516 /nfs/dbraw/zinc/09/15/16/314091516.db2.gz YOORBHXJMMUBPG-OAHLLOKOSA-N 2 0 341.931 2.230 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)nc2)[C@H](C)C1 ZINC000527988972 317299002 /nfs/dbraw/zinc/29/90/02/317299002.db2.gz WLCCWGWEDSOHPB-AEFFLSMTSA-N 2 0 335.492 2.359 10 0 EEAERP CN(CCC(=O)N1CC[NH+](C2CCCCC2)CC1)c1cc[nH+]cc1 ZINC000542786079 318140087 /nfs/dbraw/zinc/14/00/87/318140087.db2.gz RBGDCGYILHSHDG-UHFFFAOYSA-N 2 0 330.476 2.385 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000544349086 318185730 /nfs/dbraw/zinc/18/57/30/318185730.db2.gz PWXHZRNRYHELSN-MRXNPFEDSA-N 2 0 336.443 2.374 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CCC23CCOCC3)(N2CCCCC2)CC1 ZINC000548860196 318416250 /nfs/dbraw/zinc/41/62/50/318416250.db2.gz QTHAEOOSZDBGGD-SFHVURJKSA-N 2 0 335.536 2.486 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000564310247 319077389 /nfs/dbraw/zinc/07/73/89/319077389.db2.gz VTHZGBBNCUOJNN-WBVHZDCISA-N 2 0 332.492 2.194 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000564853207 319118314 /nfs/dbraw/zinc/11/83/14/319118314.db2.gz BSBDPDJWRXEPLE-DAWZGUTISA-N 2 0 325.541 2.037 10 0 EEAERP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000564853976 319118520 /nfs/dbraw/zinc/11/85/20/319118520.db2.gz ICMGZQBSAMIOPV-IPQPSQTFSA-N 2 0 346.471 2.234 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000565544705 319192687 /nfs/dbraw/zinc/19/26/87/319192687.db2.gz RKWAMWYHKZXNEK-ULQDDVLXSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[NH2+]C1(CO)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000577646534 320268264 /nfs/dbraw/zinc/26/82/64/320268264.db2.gz NKANIOWWRUHIMG-LJQANCHMSA-N 2 0 331.504 2.086 10 0 EEAERP O[C@H](COCc1cccs1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080848 465025963 /nfs/dbraw/zinc/02/59/63/465025963.db2.gz VDQLWGLJPQYLIC-KRWDZBQOSA-N 2 0 338.517 2.433 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000339253762 465169922 /nfs/dbraw/zinc/16/99/22/465169922.db2.gz GQGGUZRILYXZGK-UHFFFAOYSA-N 2 0 330.476 2.234 10 0 EEAERP C[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H](C)[N@H+]1C ZINC000296491460 465212129 /nfs/dbraw/zinc/21/21/29/465212129.db2.gz RPAALZHDVDCPLZ-OKILXGFUSA-N 2 0 336.455 2.121 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113591829 462604567 /nfs/dbraw/zinc/60/45/67/462604567.db2.gz GDONMNJXKAZJJD-MHORFTMASA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000063734742 462667842 /nfs/dbraw/zinc/66/78/42/462667842.db2.gz YGBQMRGRFLRHTJ-SFHVURJKSA-N 2 0 329.488 2.451 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccco2)N(C)C)CC1 ZINC000157664554 463153813 /nfs/dbraw/zinc/15/38/13/463153813.db2.gz FEWLWSJACUWZCC-INIZCTEOSA-N 2 0 336.480 2.304 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000121978676 463226545 /nfs/dbraw/zinc/22/65/45/463226545.db2.gz UUBQBMOTPNKNJD-MRXNPFEDSA-N 2 0 332.492 2.074 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000079732756 463245119 /nfs/dbraw/zinc/24/51/19/463245119.db2.gz LMDYTZPSECFDDU-IBGZPJMESA-N 2 0 346.519 2.143 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCn2ccnc2)CC1 ZINC000151338748 463515283 /nfs/dbraw/zinc/51/52/83/463515283.db2.gz VVGHSLBSRGGOAW-UHFFFAOYSA-N 2 0 327.476 2.205 10 0 EEAERP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1OC ZINC000166182715 463652392 /nfs/dbraw/zinc/65/23/92/463652392.db2.gz YQRIOYVFPQCBBF-LSDHHAIUSA-N 2 0 349.475 2.482 10 0 EEAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccc2c(c1)OCO2 ZINC000261910079 463896612 /nfs/dbraw/zinc/89/66/12/463896612.db2.gz IWRGXPVYDYEWTG-BRWVUGGUSA-N 2 0 346.471 2.440 10 0 EEAERP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)ccc1OC ZINC000261917187 463899365 /nfs/dbraw/zinc/89/93/65/463899365.db2.gz JUIMORAFUKLROF-GVDBMIGSSA-N 2 0 334.460 2.341 10 0 EEAERP CC1CC[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000261952507 463909173 /nfs/dbraw/zinc/90/91/73/463909173.db2.gz ZDTMPXRQBNYASF-UHFFFAOYSA-N 2 0 345.487 2.043 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292247499 464172303 /nfs/dbraw/zinc/17/23/03/464172303.db2.gz XLDLLUGVNKOXMG-FQEVSTJZSA-N 2 0 341.455 2.090 10 0 EEAERP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(CO)o2)CCCN1C1CC1 ZINC000284661286 464283182 /nfs/dbraw/zinc/28/31/82/464283182.db2.gz VXPFCBZMLPMLRL-IFXJQAMLSA-N 2 0 344.459 2.211 10 0 EEAERP COc1cccc([C@H]2[C@H](NC(=O)C3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000237554067 464339173 /nfs/dbraw/zinc/33/91/73/464339173.db2.gz BJVBIDWSKHDNGH-MOPGFXCFSA-N 2 0 343.471 2.089 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247284193 464663310 /nfs/dbraw/zinc/66/33/10/464663310.db2.gz KLDRVBWZZOTUKE-OALUTQOASA-N 2 0 331.504 2.253 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000250245113 464928026 /nfs/dbraw/zinc/92/80/26/464928026.db2.gz WKUHZMQZNFQZLU-QZTJIDSGSA-N 2 0 332.492 2.381 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)c1 ZINC000252441845 464954779 /nfs/dbraw/zinc/95/47/79/464954779.db2.gz AXSQHCGALYVLAG-SFHVURJKSA-N 2 0 330.476 2.128 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347945247 465327481 /nfs/dbraw/zinc/32/74/81/465327481.db2.gz JOLXWOWFFFBJEN-VQTJNVASSA-N 2 0 341.499 2.451 10 0 EEAERP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)CC2)ncn1 ZINC000353518535 465947828 /nfs/dbraw/zinc/94/78/28/465947828.db2.gz LLLQLYUSRQBGRD-IPMKNSEASA-N 2 0 343.519 2.470 10 0 EEAERP Cc1nc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N(C)C)n1 ZINC000346223227 466005082 /nfs/dbraw/zinc/00/50/82/466005082.db2.gz QCWZGOSDTZSDEY-KRWDZBQOSA-N 2 0 342.491 2.815 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(=O)NCC[NH+](C)C ZINC000340517191 466148062 /nfs/dbraw/zinc/14/80/62/466148062.db2.gz ZNCAMIGIAWZWKG-MOPGFXCFSA-N 2 0 347.503 2.452 10 0 EEAERP Cc1cccnc1[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000357873239 466280325 /nfs/dbraw/zinc/28/03/25/466280325.db2.gz QLMSJYSQIULFCF-LJQANCHMSA-N 2 0 344.503 2.420 10 0 EEAERP C[C@H](CCNC(=O)N1CC[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000367415198 466323530 /nfs/dbraw/zinc/32/35/30/466323530.db2.gz LCMCAHADZQYLSX-QGZVFWFLSA-N 2 0 344.503 2.387 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000349954997 466325529 /nfs/dbraw/zinc/32/55/29/466325529.db2.gz YZEMFARLCAPAIY-INIZCTEOSA-N 2 0 347.507 2.115 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423281279 466709324 /nfs/dbraw/zinc/70/93/24/466709324.db2.gz UCDJAHSMYWCNEY-DYEKYZERSA-N 2 0 342.281 2.106 10 0 EEAERP COc1cccc2c1CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512231 466762176 /nfs/dbraw/zinc/76/21/76/466762176.db2.gz OKRJXMFDWVSVRK-RJYAGPCLSA-N 2 0 329.488 2.489 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417050911 466765242 /nfs/dbraw/zinc/76/52/42/466765242.db2.gz YILDMZHZGZLOJR-QLFBSQMISA-N 2 0 346.466 2.041 10 0 EEAERP C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000417588285 466887862 /nfs/dbraw/zinc/88/78/62/466887862.db2.gz PBWQGZCCLNHGDZ-YJBOKZPZSA-N 2 0 330.476 2.043 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417824884 466946557 /nfs/dbraw/zinc/94/65/57/466946557.db2.gz MJMXQOPGYLNAEK-IBGZPJMESA-N 2 0 334.508 2.179 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952022 467000619 /nfs/dbraw/zinc/00/06/19/467000619.db2.gz ZLEBBAUCYRGROR-NILFDRSVSA-N 2 0 342.846 2.261 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417987906 467012153 /nfs/dbraw/zinc/01/21/53/467012153.db2.gz JOAAKSQQPDHLJZ-JGTCGTHISA-N 2 0 346.475 2.008 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)NC(C)(C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417990540 467013408 /nfs/dbraw/zinc/01/34/08/467013408.db2.gz MFONKJWLCPPGJE-IAGOWNOFSA-N 2 0 346.475 2.010 10 0 EEAERP C[C@@]1(CNC(=O)N[C@H](C[NH3+])C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048179 467034275 /nfs/dbraw/zinc/03/42/75/467034275.db2.gz VHTRCBWGIDOSHZ-MJGOQNOKSA-N 2 0 330.476 2.078 10 0 EEAERP O=C(NCCC[NH2+]C1CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418304798 467090499 /nfs/dbraw/zinc/09/04/99/467090499.db2.gz WQNXRMOAFZTJQU-KRWDZBQOSA-N 2 0 336.524 2.426 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418579827 467131219 /nfs/dbraw/zinc/13/12/19/467131219.db2.gz RXZOZGABFNKNEG-YJBOKZPZSA-N 2 0 332.492 2.278 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418610707 467135677 /nfs/dbraw/zinc/13/56/77/467135677.db2.gz GHGUGWDPBNFWDG-VQIMIIECSA-N 2 0 344.503 2.290 10 0 EEAERP CN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418637966 467139188 /nfs/dbraw/zinc/13/91/88/467139188.db2.gz KFPFZHHZTFTQER-LJQANCHMSA-N 2 0 342.487 2.212 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000418652843 467140890 /nfs/dbraw/zinc/14/08/90/467140890.db2.gz NMYKNVDACKHPJU-QGTPRVQTSA-N 2 0 332.492 2.230 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418687785 467145859 /nfs/dbraw/zinc/14/58/59/467145859.db2.gz AJYXYHIIWHHZGH-IAGOWNOFSA-N 2 0 344.503 2.420 10 0 EEAERP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297747 467399555 /nfs/dbraw/zinc/39/95/55/467399555.db2.gz GNNNCPYUMZBPQS-FXAWDEMLSA-N 2 0 343.515 2.086 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C)N1CC[NH+](C)CC1 ZINC000453105591 467460853 /nfs/dbraw/zinc/46/08/53/467460853.db2.gz XESBCPNESYMRPE-IAGOWNOFSA-N 2 0 341.503 2.374 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000453266890 467473502 /nfs/dbraw/zinc/47/35/02/467473502.db2.gz XTJDANJWPUEQMQ-HMXCVIKNSA-N 2 0 345.531 2.333 10 0 EEAERP CCO[C@@H]1C[C@](CO)([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000436379487 467533099 /nfs/dbraw/zinc/53/30/99/467533099.db2.gz QKOYHKGJWMYQJM-IEBWSBKVSA-N 2 0 344.459 2.231 10 0 EEAERP O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000441441764 467572046 /nfs/dbraw/zinc/57/20/46/467572046.db2.gz AKRCJNNTXDWLDR-LJQANCHMSA-N 2 0 349.519 2.153 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]2CCC[NH+]2C)CCC1 ZINC000454631152 467605556 /nfs/dbraw/zinc/60/55/56/467605556.db2.gz MQVFYEVLRRSYCZ-SFHVURJKSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000529322005 467845641 /nfs/dbraw/zinc/84/56/41/467845641.db2.gz JZVIFVPHJKLWCE-YQQAZPJKSA-N 2 0 334.508 2.223 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000533913467 468227797 /nfs/dbraw/zinc/22/77/97/468227797.db2.gz DZDVMDMNLNFISC-NZSAHSFTSA-N 2 0 344.503 2.461 10 0 EEAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578742285 468248648 /nfs/dbraw/zinc/24/86/48/468248648.db2.gz PGXOVMLFOWEHLM-ICSRJNTNSA-N 2 0 342.487 2.046 10 0 EEAERP CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582482601 468547288 /nfs/dbraw/zinc/54/72/88/468547288.db2.gz LBUDOKJFYJOYMN-SVFBPWRDSA-N 2 0 345.531 2.144 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000595061840 468751160 /nfs/dbraw/zinc/75/11/60/468751160.db2.gz NGQNBXMXWXDJPB-PBPSECFOSA-N 2 0 339.549 2.347 10 0 EEAERP CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571523763 468800518 /nfs/dbraw/zinc/80/05/18/468800518.db2.gz VQGHNQBJPKKBKA-VZAMPYOESA-N 2 0 339.842 2.468 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000572380890 468925926 /nfs/dbraw/zinc/92/59/26/468925926.db2.gz BHAJJJFSLHATNI-IRXDYDNUSA-N 2 0 330.476 2.121 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000585120775 468980946 /nfs/dbraw/zinc/98/09/46/468980946.db2.gz KPVGPJYLENSGMF-MJGOQNOKSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000572888679 469016602 /nfs/dbraw/zinc/01/66/02/469016602.db2.gz ZLCDPNNHFLTVHF-LLGFUMIMSA-N 2 0 343.515 2.406 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572974703 469034337 /nfs/dbraw/zinc/03/43/37/469034337.db2.gz NMAOZNSUMXEMKX-QFBILLFUSA-N 2 0 346.475 2.202 10 0 EEAERP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCCC[C@H]1C ZINC000573566140 469163076 /nfs/dbraw/zinc/16/30/76/469163076.db2.gz QFZOARVELHOZKH-HUUCEWRRSA-N 2 0 329.448 2.396 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)o1 ZINC000615265556 469196771 /nfs/dbraw/zinc/19/67/71/469196771.db2.gz OZYBQSILRBRZQL-SJORKVTESA-N 2 0 349.475 2.057 10 0 EEAERP CCOC(=O)C[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000599310622 469203921 /nfs/dbraw/zinc/20/39/21/469203921.db2.gz XQCMNRWEGVICMQ-AEFFLSMTSA-N 2 0 340.508 2.277 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)c2)CC1 ZINC000625879032 469422344 /nfs/dbraw/zinc/42/23/44/469422344.db2.gz DNRUDFMNOKSVPX-RDJZCZTQSA-N 2 0 345.491 2.091 10 0 EEAERP COc1ncc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000629523153 469571900 /nfs/dbraw/zinc/57/19/00/469571900.db2.gz AIMGVQAKXNBIJD-GWCFXTLKSA-N 2 0 328.254 2.460 10 0 EEAERP Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000626370882 469589312 /nfs/dbraw/zinc/58/93/12/469589312.db2.gz YIHFSRUDIKSDIT-YJBOKZPZSA-N 2 0 340.471 2.391 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000629652661 469599180 /nfs/dbraw/zinc/59/91/80/469599180.db2.gz BKVLNUJJHSYASE-RBUKOAKNSA-N 2 0 330.520 2.449 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1(C)C ZINC000623359865 469635417 /nfs/dbraw/zinc/63/54/17/469635417.db2.gz GFZCBIUUMBYJRN-OAHLLOKOSA-N 2 0 325.478 2.021 10 0 EEAERP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000623601410 469707486 /nfs/dbraw/zinc/70/74/86/469707486.db2.gz CJDWFCQPGILEBU-JFIYKMOQSA-N 2 0 336.524 2.423 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000626930719 469758611 /nfs/dbraw/zinc/75/86/11/469758611.db2.gz HZCQNKNNGJUFSM-RBUKOAKNSA-N 2 0 344.503 2.133 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000626993777 469781798 /nfs/dbraw/zinc/78/17/98/469781798.db2.gz MWUPNSZAYOTJDI-ZAWLATJESA-N 2 0 344.503 2.337 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626998153 469783216 /nfs/dbraw/zinc/78/32/16/469783216.db2.gz IIWXXDXUGOQFLX-LEUOFYLZSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000623881338 469787679 /nfs/dbraw/zinc/78/76/79/469787679.db2.gz KTRPTOFBWHLCSD-HKUYNNGSSA-N 2 0 332.492 2.141 10 0 EEAERP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000627034832 469797298 /nfs/dbraw/zinc/79/72/98/469797298.db2.gz MMEBUWYKMOBZFS-RGCFKVTRSA-N 2 0 348.491 2.350 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127976 469819970 /nfs/dbraw/zinc/81/99/70/469819970.db2.gz BRPJFYAMFNMPMV-MRXNPFEDSA-N 2 0 334.464 2.028 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627134315 469820718 /nfs/dbraw/zinc/82/07/18/469820718.db2.gz XTDCNKZQYORWFM-KRWDZBQOSA-N 2 0 348.466 2.184 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631041868 470054405 /nfs/dbraw/zinc/05/44/05/470054405.db2.gz CEHAMPHHUGIWNR-DLBZAZTESA-N 2 0 335.496 2.059 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634711471 470284312 /nfs/dbraw/zinc/28/43/12/470284312.db2.gz PJJDTWCXJKMMJC-XIGKFDRGSA-N 2 0 346.515 2.399 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000638835629 470299442 /nfs/dbraw/zinc/29/94/42/470299442.db2.gz NBIZOGHPBFLJGJ-ZTRSQXPZSA-N 2 0 329.488 2.388 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638852654 470305069 /nfs/dbraw/zinc/30/50/69/470305069.db2.gz LZGBVHVKCYVGRR-BHIYHBOVSA-N 2 0 329.488 2.260 10 0 EEAERP C[C@@H](O)C[N@H+](C)Cc1cc(C[NH+](C)C[C@H](C)O)cc(C(F)(F)F)c1 ZINC000649322065 470545369 /nfs/dbraw/zinc/54/53/69/470545369.db2.gz MALFBTTXXUQECC-BETUJISGSA-N 2 0 348.409 2.331 10 0 EEAERP Cc1nccn1CCN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000649713888 470672905 /nfs/dbraw/zinc/67/29/05/470672905.db2.gz JLFVKAULBLJXSQ-UHFFFAOYSA-N 2 0 340.406 2.029 10 0 EEAERP c1cc(OCC[NH+]2CCCC2)ccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000647502816 470915724 /nfs/dbraw/zinc/91/57/24/470915724.db2.gz KJYYFHUYNVEFCB-LJQANCHMSA-N 2 0 329.488 2.488 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncc(Br)cn1 ZINC000647798682 470987241 /nfs/dbraw/zinc/98/72/41/470987241.db2.gz VMNDBDLKGQMIBN-MEWQQHAOSA-N 2 0 325.254 2.278 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901906 471012636 /nfs/dbraw/zinc/01/26/36/471012636.db2.gz XGDVXYWBLJNBDA-QAPCUYQASA-N 2 0 331.460 2.488 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654503024 471043463 /nfs/dbraw/zinc/04/34/63/471043463.db2.gz ZPFIMWLOOKNPFS-OPQOLIRYSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@H](C)O1 ZINC000657367665 471115265 /nfs/dbraw/zinc/11/52/65/471115265.db2.gz RIKGYWBAKJUXSP-STQMWFEESA-N 2 0 348.413 2.418 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Br)cn1 ZINC000657574570 471173625 /nfs/dbraw/zinc/17/36/25/471173625.db2.gz ZYRNDJVUWIFRSJ-ZDUSSCGKSA-N 2 0 343.313 2.206 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000652128234 471241048 /nfs/dbraw/zinc/24/10/48/471241048.db2.gz SWSUCUPBQVSERC-JKSUJKDBSA-N 2 0 332.492 2.326 10 0 EEAERP CC(C)(CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000652131188 471241418 /nfs/dbraw/zinc/24/14/18/471241418.db2.gz PHXOLIDHGTVQCA-UHFFFAOYSA-N 2 0 344.503 2.252 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657919839 471248587 /nfs/dbraw/zinc/24/85/87/471248587.db2.gz REOXRSRXKAGYPY-KRWDZBQOSA-N 2 0 335.517 2.353 10 0 EEAERP CNS(=O)(=O)c1ccc([C@@H](C)NCCC[N@H+](C)CC(C)C)cc1 ZINC000652220821 471257901 /nfs/dbraw/zinc/25/79/01/471257901.db2.gz KISJTJKOQRLNLG-OAHLLOKOSA-N 2 0 341.521 2.223 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652225468 471258797 /nfs/dbraw/zinc/25/87/97/471258797.db2.gz ZXOVPHZYKGHNBA-MSOLQXFVSA-N 2 0 338.540 2.386 10 0 EEAERP CN(C(=O)NCCC1(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652239300 471260907 /nfs/dbraw/zinc/26/09/07/471260907.db2.gz JNVYYAIISMECQR-KRWDZBQOSA-N 2 0 330.476 2.031 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000652284366 471266649 /nfs/dbraw/zinc/26/66/49/471266649.db2.gz RYQNDTCVJLBJDR-UHFFFAOYSA-N 2 0 332.492 2.422 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000652291698 471268368 /nfs/dbraw/zinc/26/83/68/471268368.db2.gz DTJPWGABJQFCGZ-SFHVURJKSA-N 2 0 330.476 2.080 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660394714 471321780 /nfs/dbraw/zinc/32/17/80/471321780.db2.gz CSWAJLVVVQURKO-INIZCTEOSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC/C=C/C[NH3+] ZINC000669117741 471385743 /nfs/dbraw/zinc/38/57/43/471385743.db2.gz BLNBDTAGAJVVLG-SQRWCISFSA-N 2 0 330.476 2.375 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659035707 471477752 /nfs/dbraw/zinc/47/77/52/471477752.db2.gz MRBCGBZEOSQWGC-ROUUACIJSA-N 2 0 346.475 2.296 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000669518394 471531493 /nfs/dbraw/zinc/53/14/93/471531493.db2.gz VGUAEGJUAGTOPM-LJQANCHMSA-N 2 0 334.508 2.179 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655912332 471534798 /nfs/dbraw/zinc/53/47/98/471534798.db2.gz TXFXJEOEDVXCHA-AWEZNQCLSA-N 2 0 346.397 2.217 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+](CC)CC)cc1 ZINC000669590911 471571302 /nfs/dbraw/zinc/57/13/02/471571302.db2.gz VUFRWOQBAQGKLI-LKGOPFMKSA-N 2 0 332.492 2.446 10 0 EEAERP [NH3+]C[C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccc(F)cc1 ZINC000659365042 471593568 /nfs/dbraw/zinc/59/35/68/471593568.db2.gz DTQFXJALUXTXAS-MSOLQXFVSA-N 2 0 343.402 2.168 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000667148686 471671986 /nfs/dbraw/zinc/67/19/86/471671986.db2.gz NQLCQIGBYMQYGU-UHFFFAOYSA-N 2 0 328.420 2.121 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000659578621 471685280 /nfs/dbraw/zinc/68/52/80/471685280.db2.gz FCSLXQSHDCUOIG-JCHJZTRSSA-N 2 0 344.503 2.256 10 0 EEAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2COCCO2)cc1 ZINC000656407879 471711022 /nfs/dbraw/zinc/71/10/22/471711022.db2.gz UOLASNCYCDXDPJ-AFDCHOCNSA-N 2 0 342.483 2.244 10 0 EEAERP O[C@]1(C2CC2)CCC[NH+](C/C=C/C[N@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631420 471835237 /nfs/dbraw/zinc/83/52/37/471835237.db2.gz KPECFVWCEXYUHI-RHZFVVMASA-N 2 0 334.504 2.016 10 0 EEAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000667831523 471921711 /nfs/dbraw/zinc/92/17/11/471921711.db2.gz KPDBUTLISUROLA-CQSZACIVSA-N 2 0 334.439 2.466 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)C2CCC(F)CC2)CC1 ZINC000662005397 471953178 /nfs/dbraw/zinc/95/31/78/471953178.db2.gz LESZFAFMRAJPGN-FHERZECASA-N 2 0 327.488 2.482 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000654437248 471958771 /nfs/dbraw/zinc/95/87/71/471958771.db2.gz HCHXHAZZVCFEOY-RYQLBKOJSA-N 2 0 332.492 2.146 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000654444771 471962488 /nfs/dbraw/zinc/96/24/88/471962488.db2.gz CGHGNXLITFJJHX-QRVBRYPASA-N 2 0 344.503 2.290 10 0 EEAERP c1ccc(C[N@@H+]2CCC3(COC3)C2)c(C[NH+]2CCC3(COC3)C2)c1 ZINC000662072830 471976501 /nfs/dbraw/zinc/97/65/01/471976501.db2.gz CHYZVAFQORTWAA-UHFFFAOYSA-N 2 0 328.456 2.131 10 0 EEAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)CC1 ZINC000668169036 472036576 /nfs/dbraw/zinc/03/65/76/472036576.db2.gz GQFABPUMWMCUGB-QGZVFWFLSA-N 2 0 325.460 2.431 10 0 EEAERP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248911 472041059 /nfs/dbraw/zinc/04/10/59/472041059.db2.gz FNHAKSPULLKEGG-MRXNPFEDSA-N 2 0 331.460 2.167 10 0 EEAERP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662259594 472045889 /nfs/dbraw/zinc/04/58/89/472045889.db2.gz ZAUCOWYJLYQOIN-RTBURBONSA-N 2 0 330.472 2.231 10 0 EEAERP [NH3+]CCCOC1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662428672 472106805 /nfs/dbraw/zinc/10/68/05/472106805.db2.gz PQSBDNHUEDNQBF-QGZVFWFLSA-N 2 0 345.487 2.035 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000662514565 472135852 /nfs/dbraw/zinc/13/58/52/472135852.db2.gz OUWRVFYMCAUIPG-YDZRNGNQSA-N 2 0 343.471 2.217 10 0 EEAERP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000662714483 472219806 /nfs/dbraw/zinc/21/98/06/472219806.db2.gz IQOZCZJWUCIVSN-KRWDZBQOSA-N 2 0 327.472 2.286 10 0 EEAERP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000662714486 472220000 /nfs/dbraw/zinc/22/00/00/472220000.db2.gz IQOZCZJWUCIVSN-QGZVFWFLSA-N 2 0 327.472 2.286 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000673771712 485527073 /nfs/dbraw/zinc/52/70/73/485527073.db2.gz LWMIMILLVWZPEB-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673810121 485541518 /nfs/dbraw/zinc/54/15/18/485541518.db2.gz JVDAETIZWHGAFE-AWEZNQCLSA-N 2 0 328.420 2.073 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000310278485 485632561 /nfs/dbraw/zinc/63/25/61/485632561.db2.gz KFELOPIEVXHZBY-BBRMVZONSA-N 2 0 343.393 2.165 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000434359613 485714321 /nfs/dbraw/zinc/71/43/21/485714321.db2.gz XDUBBYPPRMZMAN-NXHRZFHOSA-N 2 0 336.524 2.375 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415964278 528253746 /nfs/dbraw/zinc/25/37/46/528253746.db2.gz XMNKGALGZMSYCV-CQSZACIVSA-N 2 0 334.439 2.419 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134710 577150598 /nfs/dbraw/zinc/15/05/98/577150598.db2.gz GIIBPTCAVRDJFP-GOSISDBHSA-N 2 0 333.476 2.464 10 0 EEAERP CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)o1 ZINC000892171517 678198186 /nfs/dbraw/zinc/19/81/86/678198186.db2.gz NXZLVHDAAQFLIB-QGZVFWFLSA-N 2 0 348.491 2.002 10 0 EEAERP Cc1coc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000894763790 683080197 /nfs/dbraw/zinc/08/01/97/683080197.db2.gz PCSRUQHIXZEKSC-UHFFFAOYSA-N 2 0 333.476 2.402 10 0 EEAERP Cc1[nH+]c2cc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)ccc2n1C(CO)CO ZINC000894918107 683401166 /nfs/dbraw/zinc/40/11/66/683401166.db2.gz JIJKEHODRKEPHP-HNNXBMFYSA-N 2 0 346.475 2.155 10 0 EEAERP C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C[NH+]1CCCC1 ZINC000914243995 683412385 /nfs/dbraw/zinc/41/23/85/683412385.db2.gz YCHXCZTUNNLDAJ-WMZOPIPTSA-N 2 0 347.507 2.106 10 0 EEAERP CS(=O)(=O)C1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925671821 684806685 /nfs/dbraw/zinc/80/66/85/684806685.db2.gz RHGYQJHUPSRTCX-HOTGVXAUSA-N 2 0 328.522 2.102 10 0 EEAERP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCS1 ZINC000927254826 693968861 /nfs/dbraw/zinc/96/88/61/693968861.db2.gz BNHLOBYBBWKXMN-JKSUJKDBSA-N 2 0 344.569 2.186 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](C[C@H]2CCCCO2)CC1(C)C ZINC001485582966 1191849036 /nfs/dbraw/zinc/84/90/36/1191849036.db2.gz WXLYQDDOUJNBBU-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001485655281 1191873479 /nfs/dbraw/zinc/87/34/79/1191873479.db2.gz FLXDHHMYQIOMTP-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1)OC ZINC001485683049 1191896225 /nfs/dbraw/zinc/89/62/25/1191896225.db2.gz FAYRYHLADWUUPR-BRWVUGGUSA-N 2 0 339.524 2.160 10 0 EEAERP CCc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001266244016 1176011459 /nfs/dbraw/zinc/01/14/59/1176011459.db2.gz HBWMRRPQTFUUDQ-QGZVFWFLSA-N 2 0 348.491 2.194 10 0 EEAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865233 1176133337 /nfs/dbraw/zinc/13/33/37/1176133337.db2.gz GBBMKZBMKHXHMD-APWZRJJASA-N 2 0 329.488 2.446 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001266336259 1176323179 /nfs/dbraw/zinc/32/31/79/1176323179.db2.gz MFSFWJIGHWGSBM-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(Cl)nc1 ZINC001691023981 1176508013 /nfs/dbraw/zinc/50/80/13/1176508013.db2.gz ZJWJTVXNJJRAFV-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1c(C(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)C2CC2)ccc2c[nH+]cn21 ZINC001670491285 1176830996 /nfs/dbraw/zinc/83/09/96/1176830996.db2.gz WDYKSHFSPYBMCR-PXAZEXFGSA-N 2 0 332.423 2.489 10 0 EEAERP CN(CC[NH2+]Cc1cccc(C(F)F)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660894 1177079509 /nfs/dbraw/zinc/07/95/09/1177079509.db2.gz VZNCVKOOFXWWFS-OAHLLOKOSA-N 2 0 325.403 2.266 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1C[C@@H]1CCCCO1 ZINC001670728814 1177157169 /nfs/dbraw/zinc/15/71/69/1177157169.db2.gz CKSCWGQUBDUOML-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001691171027 1177668012 /nfs/dbraw/zinc/66/80/12/1177668012.db2.gz LWYMIZTWYVGSCC-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001266940241 1177854926 /nfs/dbraw/zinc/85/49/26/1177854926.db2.gz YWJSFCCASCMSAE-UKRRQHHQSA-N 2 0 338.883 2.202 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001266940240 1177855763 /nfs/dbraw/zinc/85/57/63/1177855763.db2.gz YWJSFCCASCMSAE-HIFRSBDPSA-N 2 0 338.883 2.202 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2nsc3ccccc23)CC[N@@H+]1C ZINC001691324511 1177912779 /nfs/dbraw/zinc/91/27/79/1177912779.db2.gz JIBFPTRISUYZNK-ZIAGYGMSSA-N 2 0 346.500 2.185 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001267023303 1178107328 /nfs/dbraw/zinc/10/73/28/1178107328.db2.gz UNTLKAKCSFONCU-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001267181846 1178444101 /nfs/dbraw/zinc/44/41/01/1178444101.db2.gz ORWOATHZMCQVMY-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267270946 1178649890 /nfs/dbraw/zinc/64/98/90/1178649890.db2.gz XXMITFWMFGIPTD-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001279687039 1179242586 /nfs/dbraw/zinc/24/25/86/1179242586.db2.gz DCOSCBTULBAFDR-IAGOWNOFSA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cc(F)ccc1C ZINC001481011646 1179490026 /nfs/dbraw/zinc/49/00/26/1179490026.db2.gz IAWSGMBSEUFDQT-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481072019 1179675254 /nfs/dbraw/zinc/67/52/54/1179675254.db2.gz VFDWQWRXBNMXIR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001481073493 1179684712 /nfs/dbraw/zinc/68/47/12/1179684712.db2.gz NJPODJZDVQOLKW-LJQANCHMSA-N 2 0 344.503 2.428 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230994 1180362075 /nfs/dbraw/zinc/36/20/75/1180362075.db2.gz LOYMGUCRSUKRRJ-MRXNPFEDSA-N 2 0 335.879 2.230 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481246890 1180445509 /nfs/dbraw/zinc/44/55/09/1180445509.db2.gz BHPIWVQBOKBAJC-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267908469 1180744290 /nfs/dbraw/zinc/74/42/90/1180744290.db2.gz FPTJSDAPYNZKJK-CRAIPNDOSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001267983281 1180917072 /nfs/dbraw/zinc/91/70/72/1180917072.db2.gz YWCWUBRFVKTFRX-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP CCc1nocc1C[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001481318279 1181019263 /nfs/dbraw/zinc/01/92/63/1181019263.db2.gz VAFPTYZQLQYUOC-UHFFFAOYSA-N 2 0 344.459 2.160 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[NH+](Cc3conc3C)C2)CC[N@@H+]1C ZINC001481430282 1181316878 /nfs/dbraw/zinc/31/68/78/1181316878.db2.gz AXEADKYPIUDBED-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](Cc3ccccn3)C2)CC[N@@H+]1C ZINC001481433255 1181323862 /nfs/dbraw/zinc/32/38/62/1181323862.db2.gz TWTKNNVPZJRDDP-NZSAHSFTSA-N 2 0 344.503 2.140 10 0 EEAERP O=C(NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001481432037 1181324987 /nfs/dbraw/zinc/32/49/87/1181324987.db2.gz KKPCVVSOAAWUSR-IEBWSBKVSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCc3cccs3)C2)C1 ZINC001481497090 1181566755 /nfs/dbraw/zinc/56/67/55/1181566755.db2.gz HWWXPTYIZFXNBN-IAGOWNOFSA-N 2 0 349.544 2.413 10 0 EEAERP C[C@@H](C[NH2+]CCCCC1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268079003 1181688148 /nfs/dbraw/zinc/68/81/48/1181688148.db2.gz NLUNLLMBVUGVAP-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268086673 1181706023 /nfs/dbraw/zinc/70/60/23/1181706023.db2.gz MXHMHAJVTFUZAW-KRWDZBQOSA-N 2 0 331.504 2.398 10 0 EEAERP O=C(CCc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001268154314 1181849111 /nfs/dbraw/zinc/84/91/11/1181849111.db2.gz LQAUQEKTROLPQE-QZTJIDSGSA-N 2 0 348.491 2.272 10 0 EEAERP COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001268180026 1181961764 /nfs/dbraw/zinc/96/17/64/1181961764.db2.gz UCKSJPNQJQEFBJ-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481670765 1182183971 /nfs/dbraw/zinc/18/39/71/1182183971.db2.gz GXTNSGJSUOIPSJ-NLMHJGSFSA-N 2 0 331.504 2.360 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369311 1182354952 /nfs/dbraw/zinc/35/49/52/1182354952.db2.gz VEPCWTUYZTVMOE-KGLIPLIRSA-N 2 0 331.451 2.391 10 0 EEAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC001481768420 1182652918 /nfs/dbraw/zinc/65/29/18/1182652918.db2.gz NSRVZRJVRFXXPQ-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268459468 1182732874 /nfs/dbraw/zinc/73/28/74/1182732874.db2.gz WGBATRWWFQUBEA-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001268461465 1182758134 /nfs/dbraw/zinc/75/81/34/1182758134.db2.gz HNLAWUSEQXHWTN-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001481953413 1183030407 /nfs/dbraw/zinc/03/04/07/1183030407.db2.gz XWHLWZXDHAEZMZ-MRXNPFEDSA-N 2 0 331.451 2.246 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2noc3c2CCCC3)CC1 ZINC001482023378 1183151574 /nfs/dbraw/zinc/15/15/74/1183151574.db2.gz UQTWWSLOMLUEDN-SHTZXODSSA-N 2 0 348.491 2.022 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001482027117 1183156168 /nfs/dbraw/zinc/15/61/68/1183156168.db2.gz YASTVBQUHRYXCV-BZSNNMDCSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550763 1183235525 /nfs/dbraw/zinc/23/55/25/1183235525.db2.gz UMUYTSLMUUWIQU-XDXAGZTOSA-N 2 0 346.475 2.152 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001268591210 1183391968 /nfs/dbraw/zinc/39/19/68/1183391968.db2.gz OLUMGVDHBVFTJJ-DWTRPJMMSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccns2)CC1 ZINC001268611903 1183524356 /nfs/dbraw/zinc/52/43/56/1183524356.db2.gz VTAUGGGPZDWQMD-ONEGZZNKSA-N 2 0 336.505 2.026 10 0 EEAERP CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF)[NH+]1CCCCC1 ZINC001268757635 1183677619 /nfs/dbraw/zinc/67/76/19/1183677619.db2.gz DJVDDTHCDGBGMO-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP O=C(N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001269071224 1183938732 /nfs/dbraw/zinc/93/87/32/1183938732.db2.gz FCHNLEAZZDZVAV-RBUKOAKNSA-N 2 0 331.504 2.313 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269798305 1184626861 /nfs/dbraw/zinc/62/68/61/1184626861.db2.gz JJIGLMCOBOHDIW-ZWKOTPCHSA-N 2 0 344.503 2.060 10 0 EEAERP COCCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001270767879 1185377992 /nfs/dbraw/zinc/37/79/92/1185377992.db2.gz BHTKWYPIYNVVFU-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1OC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365591 1185524325 /nfs/dbraw/zinc/52/43/25/1185524325.db2.gz WUZREJJIIPOFRA-RDJZCZTQSA-N 2 0 345.487 2.116 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001482479671 1186054913 /nfs/dbraw/zinc/05/49/13/1186054913.db2.gz CZYGSMUZDWRHOH-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550135 1186310714 /nfs/dbraw/zinc/31/07/14/1186310714.db2.gz MXJOQRNCGZPMNO-MSOLQXFVSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271565244 1186315820 /nfs/dbraw/zinc/31/58/20/1186315820.db2.gz BQVWTLIAVVJYJP-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001271710584 1186387107 /nfs/dbraw/zinc/38/71/07/1186387107.db2.gz BEDVMTFJAZEFQM-FUHWJXTLSA-N 2 0 349.544 2.461 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCC(F)(F)F ZINC001271725910 1186402395 /nfs/dbraw/zinc/40/23/95/1186402395.db2.gz CBIXWIYYZJACPQ-HIFRSBDPSA-N 2 0 349.441 2.497 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001482642759 1187473879 /nfs/dbraw/zinc/47/38/79/1187473879.db2.gz SJKIWSKDACIXNF-QGZVFWFLSA-N 2 0 342.487 2.400 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001482850741 1187770130 /nfs/dbraw/zinc/77/01/30/1187770130.db2.gz JIKMDZVCZMFXQI-MRXNPFEDSA-N 2 0 347.478 2.481 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001482875851 1187795787 /nfs/dbraw/zinc/79/57/87/1187795787.db2.gz BPEUOUVGZRHNRU-SJORKVTESA-N 2 0 349.523 2.152 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)co1 ZINC001482880806 1187806242 /nfs/dbraw/zinc/80/62/42/1187806242.db2.gz VYPMCNTXYFFKPE-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889428 1187815725 /nfs/dbraw/zinc/81/57/25/1187815725.db2.gz CEIJAWCXQALFLH-HNNXBMFYSA-N 2 0 333.451 2.214 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccc(Cl)cc1 ZINC001482991606 1187969759 /nfs/dbraw/zinc/96/97/59/1187969759.db2.gz SDPGTKJSMKKTOV-YATRRXNKSA-N 2 0 335.879 2.239 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001483007468 1187989814 /nfs/dbraw/zinc/98/98/14/1187989814.db2.gz ACGQTTKTPHJDLN-BBIZLLLXSA-N 2 0 341.499 2.223 10 0 EEAERP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001483009601 1187991814 /nfs/dbraw/zinc/99/18/14/1187991814.db2.gz CJGBSDCOKCTVOB-LAQIPUCWSA-N 2 0 331.464 2.018 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cnoc1C)c1ccccc1 ZINC001691553307 1188256825 /nfs/dbraw/zinc/25/68/25/1188256825.db2.gz NLNLRHGMIHEXSI-GOSISDBHSA-N 2 0 344.459 2.224 10 0 EEAERP Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c(C)o1 ZINC001483135491 1188675397 /nfs/dbraw/zinc/67/53/97/1188675397.db2.gz GVJYZTDTSKADQM-ACJLOTCBSA-N 2 0 348.491 2.293 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228275 1189539718 /nfs/dbraw/zinc/53/97/18/1189539718.db2.gz LBZFQWGAYRMBNT-OUCADQQQSA-N 2 0 341.858 2.414 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCOc2ccccc2)CC[N@@H+]1C ZINC001485879160 1193624571 /nfs/dbraw/zinc/62/45/71/1193624571.db2.gz ZHMOJLYZICVGPE-NZSAHSFTSA-N 2 0 347.503 2.232 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001485875509 1193627329 /nfs/dbraw/zinc/62/73/29/1193627329.db2.gz PGAHGZSWOMCIST-QAPCUYQASA-N 2 0 347.478 2.147 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCc1ccccc1 ZINC001409403958 1189631539 /nfs/dbraw/zinc/63/15/39/1189631539.db2.gz URADILOZJRWMQJ-DLBZAZTESA-N 2 0 329.488 2.340 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1C ZINC001409422331 1189653283 /nfs/dbraw/zinc/65/32/83/1189653283.db2.gz SSOSOIYNHYHWMO-HOTGVXAUSA-N 2 0 347.503 2.328 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cncc(C)c2)C1 ZINC001485914340 1193638632 /nfs/dbraw/zinc/63/86/32/1193638632.db2.gz YHRCTBAZWGAGPD-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCCNC(=S)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000905629254 1189808478 /nfs/dbraw/zinc/80/84/78/1189808478.db2.gz XZQFOBUBZPBUCK-UHFFFAOYSA-N 2 0 326.554 2.199 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cccc2c1CCOC2 ZINC001409682209 1190182182 /nfs/dbraw/zinc/18/21/82/1190182182.db2.gz GPTWJJHLAWVMNA-INIZCTEOSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483282754 1190305152 /nfs/dbraw/zinc/30/51/52/1190305152.db2.gz AQBZZEJSCZBLFZ-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccn1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483347557 1190382464 /nfs/dbraw/zinc/38/24/64/1190382464.db2.gz LKKRKTLRCKAVIO-APWZRJJASA-N 2 0 344.503 2.425 10 0 EEAERP Cc1cccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001483352637 1190388742 /nfs/dbraw/zinc/38/87/42/1190388742.db2.gz HNXCEHVBCODFDM-IEBWSBKVSA-N 2 0 347.503 2.295 10 0 EEAERP COCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001486095087 1193679613 /nfs/dbraw/zinc/67/96/13/1193679613.db2.gz GFRRNGSCXYTIIF-VQIMIIECSA-N 2 0 347.503 2.252 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001483512419 1190525661 /nfs/dbraw/zinc/52/56/61/1190525661.db2.gz YUQFMCCZRZKULN-HUUCEWRRSA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)n1 ZINC001486120808 1193687548 /nfs/dbraw/zinc/68/75/48/1193687548.db2.gz FHDKBLNNKAYUCZ-RDJZCZTQSA-N 2 0 332.492 2.236 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cc(C)ns1 ZINC001483621644 1190605152 /nfs/dbraw/zinc/60/51/52/1190605152.db2.gz QKWCQFSCXQFINQ-HOCLYGCPSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001486131638 1193689991 /nfs/dbraw/zinc/68/99/91/1193689991.db2.gz XUYSFQKLWCGNOZ-ROUUACIJSA-N 2 0 345.487 2.049 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483655324 1190711889 /nfs/dbraw/zinc/71/18/89/1190711889.db2.gz MWPYRRSSYNNGTN-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)c1cccc(OC)c1 ZINC001483690500 1190762332 /nfs/dbraw/zinc/76/23/32/1190762332.db2.gz YLHCJBHMIMVUCJ-RDJZCZTQSA-N 2 0 333.476 2.289 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)c1C ZINC001483692988 1190767775 /nfs/dbraw/zinc/76/77/75/1190767775.db2.gz AHBRULGKMKAHRG-SJLPKXTDSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001483743778 1190895606 /nfs/dbraw/zinc/89/56/06/1190895606.db2.gz CMARCYDXYFXNFV-RDJZCZTQSA-N 2 0 346.475 2.047 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483775106 1191018886 /nfs/dbraw/zinc/01/88/86/1191018886.db2.gz NCXYKWXDPVGFBU-JKSUJKDBSA-N 2 0 325.472 2.382 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)sn1 ZINC001483918355 1191116187 /nfs/dbraw/zinc/11/61/87/1191116187.db2.gz XXAQKQHPLHMYDD-HUUCEWRRSA-N 2 0 338.521 2.261 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)CC[NH+](C)C ZINC001483908184 1191120278 /nfs/dbraw/zinc/12/02/78/1191120278.db2.gz IHKCZFZUTBPEDM-MSOLQXFVSA-N 2 0 347.503 2.376 10 0 EEAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CCc2ccccc2)CC1 ZINC001484141207 1191237093 /nfs/dbraw/zinc/23/70/93/1191237093.db2.gz BVIYQKQZYUOPOZ-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1F)CC2 ZINC001484580439 1191425276 /nfs/dbraw/zinc/42/52/76/1191425276.db2.gz GVAVMOOHWWRSSJ-UHFFFAOYSA-N 2 0 333.451 2.202 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2nccs2)CC1 ZINC001484726111 1191485634 /nfs/dbraw/zinc/48/56/34/1191485634.db2.gz JHYQHFDMIACQBL-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CCC1([NH2+]Cc2ncc(C)o2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484813746 1191533962 /nfs/dbraw/zinc/53/39/62/1191533962.db2.gz WEDCDSMQWHRRBW-MRXNPFEDSA-N 2 0 348.491 2.328 10 0 EEAERP CCCC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC001484869967 1191555686 /nfs/dbraw/zinc/55/56/86/1191555686.db2.gz VYWWCSLNOJPJFZ-UHFFFAOYSA-N 2 0 347.503 2.417 10 0 EEAERP CC/C=C/CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001485007367 1191612972 /nfs/dbraw/zinc/61/29/72/1191612972.db2.gz XWCBGALFOWWFHX-SHCNBLLESA-N 2 0 349.519 2.130 10 0 EEAERP CC/C=C\CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001485007366 1191613092 /nfs/dbraw/zinc/61/30/92/1191613092.db2.gz XWCBGALFOWWFHX-PYTPGESOSA-N 2 0 349.519 2.130 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC001485011577 1191615555 /nfs/dbraw/zinc/61/55/55/1191615555.db2.gz QPVQXUZXFCICSC-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@@H]([NH2+]Cc1cccnc1)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485212514 1191695330 /nfs/dbraw/zinc/69/53/30/1191695330.db2.gz SVUWUHXKVYAEJK-CVEARBPZSA-N 2 0 344.503 2.186 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC001485345262 1191748414 /nfs/dbraw/zinc/74/84/14/1191748414.db2.gz KILZACYEZQQTCU-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001485441815 1191786254 /nfs/dbraw/zinc/78/62/54/1191786254.db2.gz VKNHAQIXPPVKIY-ZIAGYGMSSA-N 2 0 337.430 2.353 10 0 EEAERP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001485464733 1191794654 /nfs/dbraw/zinc/79/46/54/1191794654.db2.gz XOIWSPOGNVDCEI-ROUUACIJSA-N 2 0 337.508 2.082 10 0 EEAERP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1)CC(C)(C)C ZINC001486242680 1193769497 /nfs/dbraw/zinc/76/94/97/1193769497.db2.gz MUSKOKYYYPZEBJ-KRWDZBQOSA-N 2 0 346.519 2.386 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)c2)C(C)(C)C1 ZINC001486247476 1193773766 /nfs/dbraw/zinc/77/37/66/1193773766.db2.gz GKXXLZGSFADTOD-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCCC(F)(F)F)C(C)(C)C2)C1 ZINC001486248785 1193775325 /nfs/dbraw/zinc/77/53/25/1193775325.db2.gz GNHINVZSCHIOQD-UONOGXRCSA-N 2 0 349.441 2.497 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC[C@@H]2CCCO2)C(C)(C)C)CCC1 ZINC001486398172 1193898220 /nfs/dbraw/zinc/89/82/20/1193898220.db2.gz DHCGIEFOBQVIPW-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP COc1ccc(CC[NH2+]C2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001486483596 1193997567 /nfs/dbraw/zinc/99/75/67/1193997567.db2.gz MBUTVJCLQFWCOP-UHFFFAOYSA-N 2 0 347.503 2.157 10 0 EEAERP CC(C)(C(=O)NCc1ccc(C[NH2+]CCF)cc1F)[NH+]1CCCC1 ZINC001486524398 1194047539 /nfs/dbraw/zinc/04/75/39/1194047539.db2.gz BFHVXZCNHXSNLS-UHFFFAOYSA-N 2 0 339.430 2.375 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCF)cc1F ZINC001486525581 1194048376 /nfs/dbraw/zinc/04/83/76/1194048376.db2.gz PVYPSIGDCJWLQO-KRWDZBQOSA-N 2 0 339.430 2.375 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272993610 1194301774 /nfs/dbraw/zinc/30/17/74/1194301774.db2.gz PJFKNYMEHRTZBO-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CCC1)C12CCC[NH+]1CCC2 ZINC001273114615 1194396656 /nfs/dbraw/zinc/39/66/56/1194396656.db2.gz YOCLBQUOEDJAET-UHFFFAOYSA-N 2 0 325.472 2.383 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273123696 1194407216 /nfs/dbraw/zinc/40/72/16/1194407216.db2.gz YFUBVXOKOPXFMF-JKSUJKDBSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@]12CN(C(=O)C3=CC[C@@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702054937 1195711714 /nfs/dbraw/zinc/71/17/14/1195711714.db2.gz DSPSGMWJXSHUPF-NLWGTHIKSA-N 2 0 325.456 2.014 10 0 EEAERP Cc1ncsc1CN1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001410061271 1197527886 /nfs/dbraw/zinc/52/78/86/1197527886.db2.gz VQKZHHKOHKSKPF-OAHLLOKOSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001410236461 1197624595 /nfs/dbraw/zinc/62/45/95/1197624595.db2.gz LNELOAHVHMHZBI-BHIYHBOVSA-N 2 0 344.503 2.249 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]([NH2+]Cc2ccon2)C(C)C)CC[N@@H+]1C ZINC001410250481 1197633810 /nfs/dbraw/zinc/63/38/10/1197633810.db2.gz LXFOAJGWTVTGAK-GVDBMIGSSA-N 2 0 336.480 2.025 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cn1 ZINC001410378731 1197773238 /nfs/dbraw/zinc/77/32/38/1197773238.db2.gz ITOPAHHUNNBKKJ-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001410433199 1197878392 /nfs/dbraw/zinc/87/83/92/1197878392.db2.gz YPFJJTRIKYUXQX-ROUUACIJSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001410459259 1197937179 /nfs/dbraw/zinc/93/71/79/1197937179.db2.gz XXZQINGVENCNCF-DOTOQJQBSA-N 2 0 336.480 2.182 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000872144287 1198052969 /nfs/dbraw/zinc/05/29/69/1198052969.db2.gz FPPSXICKMOBJAL-RBUKOAKNSA-N 2 0 346.471 2.500 10 0 EEAERP COc1ccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872148041 1198056102 /nfs/dbraw/zinc/05/61/02/1198056102.db2.gz HGOJSYGCHCUPRI-FZMZJTMJSA-N 2 0 345.365 2.093 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)C[N@H+](C)CCCCCC[NH3+])cc1C ZINC000872155626 1198062998 /nfs/dbraw/zinc/06/29/98/1198062998.db2.gz WXOROAZZRNICRG-UHFFFAOYSA-N 2 0 334.464 2.402 10 0 EEAERP CC[N@H+](C)C[C@H](O)CN1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291915 1198131866 /nfs/dbraw/zinc/13/18/66/1198131866.db2.gz VTESYLKBWVZXRJ-HNNXBMFYSA-N 2 0 343.512 2.020 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2N(C)C)[C@H]1C ZINC001410864175 1198514620 /nfs/dbraw/zinc/51/46/20/1198514620.db2.gz QGHZZIMMQPNICU-AEFFLSMTSA-N 2 0 346.519 2.172 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC001410892083 1198546037 /nfs/dbraw/zinc/54/60/37/1198546037.db2.gz CWXRLYYTKLQUPE-AZUAARDMSA-N 2 0 349.519 2.011 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H](CNCc2ccon2)C(C)(C)C)CC[N@@H+]1C ZINC001411221930 1198932721 /nfs/dbraw/zinc/93/27/21/1198932721.db2.gz UAZYHOIQFUPRHZ-OFQRWUPVSA-N 2 0 336.480 2.025 10 0 EEAERP CCc1nc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)cs1 ZINC001411227378 1198938154 /nfs/dbraw/zinc/93/81/54/1198938154.db2.gz XQHRFRUDEHAXOD-CQSZACIVSA-N 2 0 340.537 2.278 10 0 EEAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001411235420 1198945630 /nfs/dbraw/zinc/94/56/30/1198945630.db2.gz MNHRIAKDYPYGLU-QGZVFWFLSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CCO[C@@H](C)C1 ZINC001493001030 1199198193 /nfs/dbraw/zinc/19/81/93/1199198193.db2.gz IWGIZFABOGERPO-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CCC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875521717 1199282209 /nfs/dbraw/zinc/28/22/09/1199282209.db2.gz PFDBKLKQLUYCRX-BRSBDYLESA-N 2 0 338.540 2.336 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810583513 1199605899 /nfs/dbraw/zinc/60/58/99/1199605899.db2.gz WRYJESRKNCDDGD-YJBOKZPZSA-N 2 0 344.471 2.099 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1C[NH+](C)C ZINC000870016756 1200408787 /nfs/dbraw/zinc/40/87/87/1200408787.db2.gz YFGWPAVAMYJTBW-CHWSQXEVSA-N 2 0 329.391 2.029 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870020147 1200410742 /nfs/dbraw/zinc/41/07/42/1200410742.db2.gz FHAHKNQIYLXHBV-ZIAGYGMSSA-N 2 0 341.858 2.291 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870908043 1200945506 /nfs/dbraw/zinc/94/55/06/1200945506.db2.gz DQSPLKYRXPBZFG-UHFFFAOYSA-N 2 0 333.451 2.248 10 0 EEAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870936724 1200966174 /nfs/dbraw/zinc/96/61/74/1200966174.db2.gz CEALZKUVYQOOEJ-UONOGXRCSA-N 2 0 342.281 2.281 10 0 EEAERP CC1(C)[C@@H](O)CC[NH+]1Cc1cccc(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000812868460 1200974206 /nfs/dbraw/zinc/97/42/06/1200974206.db2.gz WMWAFISXCCFNTE-HDICACEKSA-N 2 0 332.488 2.377 10 0 EEAERP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710624 1201586611 /nfs/dbraw/zinc/58/66/11/1201586611.db2.gz QXSMADZCKXJBFS-KOZAUXTDSA-N 2 0 335.835 2.268 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001274317876 1204995512 /nfs/dbraw/zinc/99/55/12/1204995512.db2.gz HRFLFGZCZQHCKY-PLNGDYQASA-N 2 0 333.451 2.238 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001274437868 1205036054 /nfs/dbraw/zinc/03/60/54/1205036054.db2.gz YCNXLGKFUQCEEE-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nccs2)ccc2c[nH+]cn21 ZINC001275434578 1205359866 /nfs/dbraw/zinc/35/98/66/1205359866.db2.gz WKISADACJQDTSZ-NWDGAFQWSA-N 2 0 343.456 2.396 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001411609936 1205451524 /nfs/dbraw/zinc/45/15/24/1205451524.db2.gz IHLIJXWWCHMODH-QGZVFWFLSA-N 2 0 333.451 2.201 10 0 EEAERP C[C@H](Cn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001411664991 1205478094 /nfs/dbraw/zinc/47/80/94/1205478094.db2.gz FQRLLRMUTQLXIM-HZPDHXFCSA-N 2 0 348.539 2.200 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC001276227361 1205843956 /nfs/dbraw/zinc/84/39/56/1205843956.db2.gz QWNVQBBIUVXFQU-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]CC[C@H]1CCOC1)[NH+]1CCCCCC1 ZINC001276258947 1205859208 /nfs/dbraw/zinc/85/92/08/1205859208.db2.gz OSOXNSPSQLMEPY-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C(N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000925499636 1206119902 /nfs/dbraw/zinc/11/99/02/1206119902.db2.gz RPRDCBIMLXSADP-MOPGFXCFSA-N 2 0 335.536 2.389 10 0 EEAERP CNC(=O)COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925667256 1206142018 /nfs/dbraw/zinc/14/20/18/1206142018.db2.gz BQUNFXFREYLFBV-OALUTQOASA-N 2 0 345.487 2.069 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000925784612 1206153596 /nfs/dbraw/zinc/15/35/96/1206153596.db2.gz SMYRYNMAESPKIG-BASYENTBSA-N 2 0 341.455 2.181 10 0 EEAERP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000925838106 1206158853 /nfs/dbraw/zinc/15/88/53/1206158853.db2.gz KOAMGFBFQVAHHZ-BRWVUGGUSA-N 2 0 329.444 2.425 10 0 EEAERP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848551 1206160209 /nfs/dbraw/zinc/16/02/09/1206160209.db2.gz IGKFMIUISHTZLP-KRWDZBQOSA-N 2 0 347.503 2.402 10 0 EEAERP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851534 1206160881 /nfs/dbraw/zinc/16/08/81/1206160881.db2.gz FZFXXKAWEYXZCM-CABCVRRESA-N 2 0 332.444 2.340 10 0 EEAERP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855226 1206161211 /nfs/dbraw/zinc/16/12/11/1206161211.db2.gz TUMSPVCYTCIZGE-WBVHZDCISA-N 2 0 344.455 2.484 10 0 EEAERP Cc1ccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(OCC[NH+](C)C)c1 ZINC000926039478 1206184878 /nfs/dbraw/zinc/18/48/78/1206184878.db2.gz FHWHKBCWTUEWOQ-MRXNPFEDSA-N 2 0 334.464 2.136 10 0 EEAERP Cc1ccc(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000926043065 1206185268 /nfs/dbraw/zinc/18/52/68/1206185268.db2.gz QQCNEUGWCQKILO-JKSUJKDBSA-N 2 0 348.491 2.384 10 0 EEAERP CN(CCC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1cc[nH+]cc1 ZINC000928832067 1206425390 /nfs/dbraw/zinc/42/53/90/1206425390.db2.gz PCTGMAUQTQFBBK-SFHVURJKSA-N 2 0 341.459 2.112 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837849 1248818334 /nfs/dbraw/zinc/81/83/34/1248818334.db2.gz MJQSSGAWDYPJHR-ZFWWWQNUSA-N 2 0 338.883 2.280 10 0 EEAERP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C1CCCC1 ZINC001413065059 1230370385 /nfs/dbraw/zinc/37/03/85/1230370385.db2.gz YGUDYFIQVMRRCS-NQIIRXRSSA-N 2 0 345.531 2.428 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)C12CC[NH+](CC1)C2 ZINC000900229292 1234107813 /nfs/dbraw/zinc/10/78/13/1234107813.db2.gz KZSZJVSCNBHEJK-UHFFFAOYSA-N 2 0 331.460 2.442 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902789158 1238535854 /nfs/dbraw/zinc/53/58/54/1238535854.db2.gz CWMXWNWTMLDUHK-GGPKGHCWSA-N 2 0 345.531 2.489 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC000902981923 1239261902 /nfs/dbraw/zinc/26/19/02/1239261902.db2.gz SKDCHHIXDRLINC-AEFFLSMTSA-N 2 0 331.504 2.242 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCSC2)[C@H](C)C1 ZINC000903310360 1240227823 /nfs/dbraw/zinc/22/78/23/1240227823.db2.gz KYEMZFAUIOBZOF-IKGGRYGDSA-N 2 0 330.538 2.235 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(Cl)cc1F)C2 ZINC000903492927 1240658311 /nfs/dbraw/zinc/65/83/11/1240658311.db2.gz LRRPPXYISQUANO-GHJWDPDVSA-N 2 0 326.799 2.191 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(-c3ccccc3)on1)C2 ZINC000903493207 1240660231 /nfs/dbraw/zinc/66/02/31/1240660231.db2.gz PDNULACXFQZLLK-KHYOSLBOSA-N 2 0 341.411 2.054 10 0 EEAERP C[C@@]1([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)COC(=O)N1 ZINC000903560923 1240943995 /nfs/dbraw/zinc/94/39/95/1240943995.db2.gz DONWWUYODAWKSH-HKUYNNGSSA-N 2 0 329.444 2.043 10 0 EEAERP Cc1c(C[C@H](C[NH3+])CNC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cnn1C ZINC000903916221 1242468734 /nfs/dbraw/zinc/46/87/34/1242468734.db2.gz FWNSIHCTEWZEAE-OXQOHEQNSA-N 2 0 343.519 2.259 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H](C)COc2cccc(C)c2)cnn1C ZINC000903921606 1242508200 /nfs/dbraw/zinc/50/82/00/1242508200.db2.gz QMGFKSDERSLOSX-RDJZCZTQSA-N 2 0 330.476 2.211 10 0 EEAERP COC(=O)c1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000903926372 1242525296 /nfs/dbraw/zinc/52/52/96/1242525296.db2.gz LHIPGMPLMJBVDX-GOOCMWNKSA-N 2 0 349.500 2.187 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932920 1242555467 /nfs/dbraw/zinc/55/54/67/1242555467.db2.gz IDSLFOXPBAKFJF-AOIWGVFYSA-N 2 0 334.508 2.127 10 0 EEAERP Cc1ccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC000903980391 1242844008 /nfs/dbraw/zinc/84/40/08/1242844008.db2.gz QFRCUCPMHVKOKR-BGYRXZFFSA-N 2 0 328.504 2.223 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001490921845 1258488672 /nfs/dbraw/zinc/48/86/72/1258488672.db2.gz IVTQETUYKRDYQT-IHRRRGAJSA-N 2 0 329.435 2.000 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](Cc3ocnc3C)CC[C@@H]21 ZINC001490983103 1258537345 /nfs/dbraw/zinc/53/73/45/1258537345.db2.gz NQXZGAYPMGKCPM-SJORKVTESA-N 2 0 348.491 2.138 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@H]21 ZINC001490985041 1258542752 /nfs/dbraw/zinc/54/27/52/1258542752.db2.gz WBTJWBJIHIONDQ-IDSJHHPBSA-N 2 0 327.900 2.394 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001491030424 1258587736 /nfs/dbraw/zinc/58/77/36/1258587736.db2.gz VLUBFJWMHKUKTQ-MHORFTMASA-N 2 0 337.508 2.057 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491181878 1258747150 /nfs/dbraw/zinc/74/71/50/1258747150.db2.gz RUYRXVXAPLBONR-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001491228840 1258815707 /nfs/dbraw/zinc/81/57/07/1258815707.db2.gz IZBVRSOHAKAFHJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)C1 ZINC000850508005 1277254223 /nfs/dbraw/zinc/25/42/23/1277254223.db2.gz JNOSBJLWKBXHME-RBUKOAKNSA-N 2 0 330.472 2.302 10 0 EEAERP CCCCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001273656223 1282425003 /nfs/dbraw/zinc/42/50/03/1282425003.db2.gz WUMUYKHCKSLTHM-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCO[C@H](C)C1)C(=O)CC[NH+]1CCCCC1 ZINC001273764974 1285089174 /nfs/dbraw/zinc/08/91/74/1285089174.db2.gz LAVTYBXAXZBOKS-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOC(C)C)CC(C)(C)C1 ZINC001489350682 1290535597 /nfs/dbraw/zinc/53/55/97/1290535597.db2.gz YKBSHGPAZAJRMJ-QGZVFWFLSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001490302591 1291137462 /nfs/dbraw/zinc/13/74/62/1291137462.db2.gz ITDYMQOWWLKEFB-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001490382604 1291267182 /nfs/dbraw/zinc/26/71/82/1291267182.db2.gz GPJFEUNRQKBHNR-OXLJIMKRSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2)[NH+]1CCCC1 ZINC001490609013 1291519249 /nfs/dbraw/zinc/51/92/49/1291519249.db2.gz IPTKILDHHCVLEL-DLBZAZTESA-N 2 0 339.499 2.437 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001490727957 1291612891 /nfs/dbraw/zinc/61/28/91/1291612891.db2.gz HICYHYVNOGFTIW-YJBOKZPZSA-N 2 0 333.451 2.152 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852888180 1292226430 /nfs/dbraw/zinc/22/64/30/1292226430.db2.gz UMAMZSHULXWXCC-HNNXBMFYSA-N 2 0 328.460 2.033 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccnc3N)C2)ccn1 ZINC000856584894 1293571209 /nfs/dbraw/zinc/57/12/09/1293571209.db2.gz UIBQINVBNVSEHX-GOSISDBHSA-N 2 0 341.459 2.164 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856583842 1293572256 /nfs/dbraw/zinc/57/22/56/1293572256.db2.gz AQUPHZNXASXWFG-MJGOQNOKSA-N 2 0 332.492 2.081 10 0 EEAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542901 1296328067 /nfs/dbraw/zinc/32/80/67/1296328067.db2.gz UGDHXGTVCAQCAV-ZSZQSSIHSA-N 2 0 328.412 2.094 10 0 EEAERP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001491162982 1299642839 /nfs/dbraw/zinc/64/28/39/1299642839.db2.gz CPQCIKWTSUQPOO-VFADXPBXSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1conc1CN1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001276887092 1300113792 /nfs/dbraw/zinc/11/37/92/1300113792.db2.gz UEELWXXRHOJKHZ-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001277334775 1302475180 /nfs/dbraw/zinc/47/51/80/1302475180.db2.gz APOSWAMUTZQPPI-DZGCQCFKSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c(C)n1 ZINC001277335682 1302480989 /nfs/dbraw/zinc/48/09/89/1302480989.db2.gz UNVGRTHQRZVZJL-HNNXBMFYSA-N 2 0 344.503 2.169 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277772603 1304382845 /nfs/dbraw/zinc/38/28/45/1304382845.db2.gz YTZLKQJIXOMGSS-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001277864752 1304964774 /nfs/dbraw/zinc/96/47/74/1304964774.db2.gz AUEGUMIDQSIQPW-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000798276037 1304969192 /nfs/dbraw/zinc/96/91/92/1304969192.db2.gz ZMIOOCDIKQYMTE-HOTGVXAUSA-N 2 0 330.476 2.107 10 0 EEAERP CCCCOCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001277893056 1305026556 /nfs/dbraw/zinc/02/65/56/1305026556.db2.gz ZESIZJTZOXZLKS-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001277957904 1305306818 /nfs/dbraw/zinc/30/68/18/1305306818.db2.gz XMGQEIQIFITNBI-HOCLYGCPSA-N 2 0 346.500 2.473 10 0 EEAERP CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001278390607 1309998966 /nfs/dbraw/zinc/99/89/66/1309998966.db2.gz JLVRHCXNUOJWAS-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001278402836 1310059100 /nfs/dbraw/zinc/05/91/00/1310059100.db2.gz DECLMWWVQKBXTO-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278427505 1310222655 /nfs/dbraw/zinc/22/26/55/1310222655.db2.gz VMFWMBWSGXIBJP-IBGZPJMESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001278583281 1317274962 /nfs/dbraw/zinc/27/49/62/1317274962.db2.gz XVWYUVSHAJSKFN-TZIWHRDSSA-N 2 0 343.515 2.317 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC=C(C)C)CCC1(F)F ZINC001278753631 1317974348 /nfs/dbraw/zinc/97/43/48/1317974348.db2.gz YSBFGHYPSPKRNO-OAHLLOKOSA-N 2 0 331.451 2.368 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CC[N@@H+]1C ZINC001261846987 1322184748 /nfs/dbraw/zinc/18/47/48/1322184748.db2.gz FCHLOYOYGBMQQI-ZWKOTPCHSA-N 2 0 344.503 2.416 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264120392 1322632850 /nfs/dbraw/zinc/63/28/50/1322632850.db2.gz JSHCCHRFIUQVEK-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001264395543 1322689663 /nfs/dbraw/zinc/68/96/63/1322689663.db2.gz YADFSOHANIIPKL-VHDGCEQUSA-N 2 0 338.883 2.060 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001264495368 1322709902 /nfs/dbraw/zinc/70/99/02/1322709902.db2.gz HEOFMMZJSSHCBA-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001264681787 1322782237 /nfs/dbraw/zinc/78/22/37/1322782237.db2.gz JGYUPEDWFCCLJB-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030782 1322872958 /nfs/dbraw/zinc/87/29/58/1322872958.db2.gz JAYFKMCMKPUYOE-UHFFFAOYSA-N 2 0 349.523 2.052 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1)C1CCC1 ZINC001265288375 1323039292 /nfs/dbraw/zinc/03/92/92/1323039292.db2.gz SSXPFWSOISOFHU-QWHCGFSZSA-N 2 0 348.318 2.245 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001265433617 1323152475 /nfs/dbraw/zinc/15/24/75/1323152475.db2.gz CQZCERBIEHJEEC-PKOBYXMFSA-N 2 0 349.519 2.011 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001265630146 1323280236 /nfs/dbraw/zinc/28/02/36/1323280236.db2.gz JYSVJOMKVDWAPT-GOSISDBHSA-N 2 0 333.520 2.491 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001265850846 1323424658 /nfs/dbraw/zinc/42/46/58/1323424658.db2.gz JMVVQZVPERQIEA-NVXWUHKLSA-N 2 0 335.467 2.194 10 0 EEAERP COc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c1 ZINC001265866768 1323439600 /nfs/dbraw/zinc/43/96/00/1323439600.db2.gz ZUKVHWLVCFTHHZ-IAGOWNOFSA-N 2 0 342.443 2.160 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001266039918 1323590551 /nfs/dbraw/zinc/59/05/51/1323590551.db2.gz DMTPCMZDBVGRGH-HNNXBMFYSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280186623 1324107179 /nfs/dbraw/zinc/10/71/79/1324107179.db2.gz QHVIYDHETWPRRF-QGZVFWFLSA-N 2 0 349.523 2.052 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001280241005 1324126466 /nfs/dbraw/zinc/12/64/66/1324126466.db2.gz KBSODSKPNUZEMO-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1nc[nH]c1CC(=O)NCC1([NH2+]CCCC2CCOCC2)CCC1 ZINC001280534406 1324281675 /nfs/dbraw/zinc/28/16/75/1324281675.db2.gz WRCSFXUXYFPISN-UHFFFAOYSA-N 2 0 348.491 2.096 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001281476266 1325147308 /nfs/dbraw/zinc/14/73/08/1325147308.db2.gz QBEZIEYZNKSVKM-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCC(C)([NH2+]CCOC)CC1)c1ccccc1 ZINC001281518920 1325213481 /nfs/dbraw/zinc/21/34/81/1325213481.db2.gz WPYAIGNYIWAXGK-GOSISDBHSA-N 2 0 347.503 2.297 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001282781130 1325784737 /nfs/dbraw/zinc/78/47/37/1325784737.db2.gz IWOPEHBVRGXXQE-HKUYNNGSSA-N 2 0 339.524 2.066 10 0 EEAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929538 1325839455 /nfs/dbraw/zinc/83/94/55/1325839455.db2.gz RVBXZJYSVIVDCI-VGRIIWOTSA-N 2 0 349.519 2.034 10 0 EEAERP C[N@H+](CCOCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1=CCCCC1 ZINC001283421936 1326060937 /nfs/dbraw/zinc/06/09/37/1326060937.db2.gz NQCKDBUDUOUTAP-FQEVSTJZSA-N 2 0 349.519 2.037 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001283621464 1326166664 /nfs/dbraw/zinc/16/66/64/1326166664.db2.gz LNMOXIQLUFRDMN-KRWDZBQOSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001284155655 1326439046 /nfs/dbraw/zinc/43/90/46/1326439046.db2.gz WAKOJIAICSIGIM-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccncc1C[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001284977344 1326806666 /nfs/dbraw/zinc/80/66/66/1326806666.db2.gz VADVDGMIJMRUHW-UHFFFAOYSA-N 2 0 344.503 2.370 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001491579462 1330171929 /nfs/dbraw/zinc/17/19/29/1330171929.db2.gz LJOHZCWLZVTWOT-QZTJIDSGSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC1CCC1 ZINC001491583890 1330173730 /nfs/dbraw/zinc/17/37/30/1330173730.db2.gz AYFDOUHXMYFIHW-LZQZEXGQSA-N 2 0 329.488 2.226 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001491685206 1330205406 /nfs/dbraw/zinc/20/54/06/1330205406.db2.gz YFKVLHJBQOBUSM-GOEBONIOSA-N 2 0 338.521 2.166 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC[C@@H]2CCCCO2)C1 ZINC001491956314 1330349678 /nfs/dbraw/zinc/34/96/78/1330349678.db2.gz LGEBUMDKXNKJOO-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001492084670 1330992780 /nfs/dbraw/zinc/99/27/80/1330992780.db2.gz CDCUWMVANNHTBF-OCCSQVGLSA-N 2 0 326.872 2.060 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001492311647 1331149097 /nfs/dbraw/zinc/14/90/97/1331149097.db2.gz NHVFHERNOZWQSV-CYBMUJFWSA-N 2 0 346.397 2.226 10 0 EEAERP CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCCOC)CC2)[NH+](C)C ZINC001316672189 1331165022 /nfs/dbraw/zinc/16/50/22/1331165022.db2.gz ZQLJZTYXDHUGPC-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001316707395 1331425254 /nfs/dbraw/zinc/42/52/54/1331425254.db2.gz SWJSSRMOCGEBHE-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316769109 1331827769 /nfs/dbraw/zinc/82/77/69/1331827769.db2.gz FNFKCFGINNITQK-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001317270658 1332160057 /nfs/dbraw/zinc/16/00/57/1332160057.db2.gz JLRUQMONWHRNSE-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP CN(CC[NH2+]Cc1ccc2ccccc2c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317572182 1332303183 /nfs/dbraw/zinc/30/31/83/1332303183.db2.gz BARHRCDRDXEGQI-LJQANCHMSA-N 2 0 325.456 2.482 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)s1 ZINC001317635881 1332340195 /nfs/dbraw/zinc/34/01/95/1332340195.db2.gz IDFBNXUCKDXTEG-AWEZNQCLSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001317642132 1332343797 /nfs/dbraw/zinc/34/37/97/1332343797.db2.gz PELMDIULYHFDOP-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660394 1332355548 /nfs/dbraw/zinc/35/55/48/1332355548.db2.gz CNKJFNOYUWTUSR-AWEZNQCLSA-N 2 0 343.393 2.205 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317994472 1332458765 /nfs/dbraw/zinc/45/87/65/1332458765.db2.gz SRKNQYADLJHSMU-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CC[NH2+]Cc3ccccn3)C2)C1 ZINC001318831828 1332606806 /nfs/dbraw/zinc/60/68/06/1332606806.db2.gz YCDBFHISPYYPNI-QZTJIDSGSA-N 2 0 344.503 2.142 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319435281 1332700614 /nfs/dbraw/zinc/70/06/14/1332700614.db2.gz BYANAAFRTTYSPW-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP COCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001319699855 1332746108 /nfs/dbraw/zinc/74/61/08/1332746108.db2.gz YKZYYWILNDNSFW-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001319713659 1332748475 /nfs/dbraw/zinc/74/84/75/1332748475.db2.gz LHYJVOWTUCLLAL-ROUUACIJSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320414099 1332877406 /nfs/dbraw/zinc/87/74/06/1332877406.db2.gz AFGRAVKRAIYCLT-MAUKXSAKSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC001320522564 1332902479 /nfs/dbraw/zinc/90/24/79/1332902479.db2.gz HHHHLEJKHCSUNR-WFASDCNBSA-N 2 0 338.521 2.229 10 0 EEAERP COCc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001320545385 1332907149 /nfs/dbraw/zinc/90/71/49/1332907149.db2.gz XDBUCVWQPUXYRL-INIZCTEOSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001320645995 1332928642 /nfs/dbraw/zinc/92/86/42/1332928642.db2.gz VHTXBHDFWBQPNH-IEBWSBKVSA-N 2 0 346.519 2.495 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001321335501 1333077302 /nfs/dbraw/zinc/07/73/02/1333077302.db2.gz HKXUGJQMHFSMNP-FEFZKZJHSA-N 2 0 345.487 2.360 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)CC[NH+](C)C ZINC001322679107 1333305889 /nfs/dbraw/zinc/30/58/89/1333305889.db2.gz YXHKVDVFHJKJDW-UHFFFAOYSA-N 2 0 328.460 2.125 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001322694048 1333308707 /nfs/dbraw/zinc/30/87/07/1333308707.db2.gz MXPOOVUAOTYUKO-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)ccc1C ZINC001322835049 1333337269 /nfs/dbraw/zinc/33/72/69/1333337269.db2.gz IWVKPZPNYOMUQJ-UHFFFAOYSA-N 2 0 333.476 2.038 10 0 EEAERP CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1[NH2+]CCCF ZINC001323151713 1333397854 /nfs/dbraw/zinc/39/78/54/1333397854.db2.gz TTXHFSGUUIHTDD-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CCF ZINC001324213752 1333636311 /nfs/dbraw/zinc/63/63/11/1333636311.db2.gz RFRNBCJFAHJYAF-IAGOWNOFSA-N 2 0 325.472 2.334 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC001325036890 1333815473 /nfs/dbraw/zinc/81/54/73/1333815473.db2.gz JAZCFXVRPVMSPU-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327542252 1334312071 /nfs/dbraw/zinc/31/20/71/1334312071.db2.gz UDYOJFPRWKIDBR-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCC(F)(F)F)C(=O)C1CC[NH+](C)CC1 ZINC001329328599 1334627959 /nfs/dbraw/zinc/62/79/59/1334627959.db2.gz ZGPVJQLZUPFNJD-UHFFFAOYSA-N 2 0 337.430 2.355 10 0 EEAERP CC(C)COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001329910082 1334737908 /nfs/dbraw/zinc/73/79/08/1334737908.db2.gz ZAAMCOYZDGDXAQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001330976775 1334939367 /nfs/dbraw/zinc/93/93/67/1334939367.db2.gz LYCFGQGZAMWULI-DOTOQJQBSA-N 2 0 333.476 2.021 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccccc1 ZINC001331616016 1335046289 /nfs/dbraw/zinc/04/62/89/1335046289.db2.gz NDNYMVVCDUIRIL-KRWDZBQOSA-N 2 0 329.488 2.152 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001332861435 1335920787 /nfs/dbraw/zinc/92/07/87/1335920787.db2.gz SCLUJOUDCFAWTN-IRXDYDNUSA-N 2 0 341.540 2.408 10 0 EEAERP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001333416425 1336040273 /nfs/dbraw/zinc/04/02/73/1336040273.db2.gz HJEPSCLSQSVDFR-SJORKVTESA-N 2 0 337.508 2.034 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001668214701 1355900646 /nfs/dbraw/zinc/90/06/46/1355900646.db2.gz NNGMTBVNODQGQB-ZDUSSCGKSA-N 2 0 338.496 2.254 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)cc1 ZINC001434381043 1341834747 /nfs/dbraw/zinc/83/47/47/1341834747.db2.gz NHACVADPEQTUFV-GOSISDBHSA-N 2 0 347.503 2.477 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001669974129 1356254122 /nfs/dbraw/zinc/25/41/22/1356254122.db2.gz QXKPJINPPVHAKK-QZTJIDSGSA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCOC)C1 ZINC001566746197 1342622328 /nfs/dbraw/zinc/62/23/28/1342622328.db2.gz CPUKHNOKJRIPIK-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001567104494 1342695130 /nfs/dbraw/zinc/69/51/30/1342695130.db2.gz PZNDPTVMGZECAO-ROUUACIJSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001567138662 1342700514 /nfs/dbraw/zinc/70/05/14/1342700514.db2.gz LPWVIRWBCLNLRA-ZAOIQFLMSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001676017834 1357089384 /nfs/dbraw/zinc/08/93/84/1357089384.db2.gz CBXWLWFAODEIFW-CYBMUJFWSA-N 2 0 338.521 2.230 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)no1 ZINC001569689665 1342924469 /nfs/dbraw/zinc/92/44/69/1342924469.db2.gz GCCTVKKQBNYMFS-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOc2cccc(C)c2)[C@@H](C)C1 ZINC001570358393 1343060858 /nfs/dbraw/zinc/06/08/58/1343060858.db2.gz DBPWVKVWSFAIFN-HKUYNNGSSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001676109865 1357107747 /nfs/dbraw/zinc/10/77/47/1357107747.db2.gz PFRULCXPDNQGNQ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001571572875 1343241296 /nfs/dbraw/zinc/24/12/96/1343241296.db2.gz ZFJYPZKCFMUKFI-GJZGRUSLSA-N 2 0 349.441 2.355 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1=CC[NH+](CCOCC2CC2)CC1 ZINC001571700407 1343279936 /nfs/dbraw/zinc/27/99/36/1343279936.db2.gz BMDLMYJVPXBDKR-CALCHBBNSA-N 2 0 349.519 2.034 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC[C@@H]2CCCO2)C(C)(C)C)CC1 ZINC001677280975 1357306416 /nfs/dbraw/zinc/30/64/16/1357306416.db2.gz BWGHHDLOUOAWBY-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC[C@H]2CCCCO2)CC1 ZINC001677594935 1357366963 /nfs/dbraw/zinc/36/69/63/1357366963.db2.gz YCXYMMNXAQAZEK-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]Cc1ccns1 ZINC001656446653 1354237853 /nfs/dbraw/zinc/23/78/53/1354237853.db2.gz BVEKFBDBDSSKPZ-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001656908380 1354298368 /nfs/dbraw/zinc/29/83/68/1354298368.db2.gz GAPOZSFVHJXWKL-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C)nc1C ZINC001660614390 1354502010 /nfs/dbraw/zinc/50/20/10/1354502010.db2.gz UBZMFMSFUBDVNJ-UHFFFAOYSA-N 2 0 344.503 2.122 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](CC2CC(F)(F)C2)C2CC2)C1 ZINC001660723610 1354526136 /nfs/dbraw/zinc/52/61/36/1354526136.db2.gz YJVZIOLYPUPIRA-AWEZNQCLSA-N 2 0 343.462 2.344 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1ccccn1)C1CC1 ZINC001660753267 1354532676 /nfs/dbraw/zinc/53/26/76/1354532676.db2.gz QBKKFAHNIVYKOO-IRXDYDNUSA-N 2 0 344.503 2.425 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001661001478 1354572070 /nfs/dbraw/zinc/57/20/70/1354572070.db2.gz WPGNCZRIEMGLRK-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001661972044 1354730728 /nfs/dbraw/zinc/73/07/28/1354730728.db2.gz MPPXXQKVTMQWAA-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001662018428 1354743015 /nfs/dbraw/zinc/74/30/15/1354743015.db2.gz SQAGJFMVLFUWFA-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001662630321 1354815230 /nfs/dbraw/zinc/81/52/30/1354815230.db2.gz GQHVDPJKSYWTRB-MELADBBJSA-N 2 0 335.414 2.107 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662712666 1354830301 /nfs/dbraw/zinc/83/03/01/1354830301.db2.gz SRAKAGFIYRKRLV-MSOLQXFVSA-N 2 0 349.544 2.461 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001662960158 1354881293 /nfs/dbraw/zinc/88/12/93/1354881293.db2.gz WRFCEZQTDUKEGN-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001663008648 1354887004 /nfs/dbraw/zinc/88/70/04/1354887004.db2.gz LUJOZLARWCVIJJ-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001664009453 1355073448 /nfs/dbraw/zinc/07/34/48/1355073448.db2.gz YGWBVYGKZFVGRF-WMZOPIPTSA-N 2 0 333.451 2.391 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001666110308 1355454043 /nfs/dbraw/zinc/45/40/43/1355454043.db2.gz GOFUMHMTYFWDKH-IUTBZRJOSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001666140071 1355464775 /nfs/dbraw/zinc/46/47/75/1355464775.db2.gz PNAKBOXONINTLZ-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP COCC[NH2+]CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001666263384 1355498840 /nfs/dbraw/zinc/49/88/40/1355498840.db2.gz RSQXRGPLQCOCNX-UHFFFAOYSA-N 2 0 347.503 2.227 10 0 EEAERP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666903839 1355612768 /nfs/dbraw/zinc/61/27/68/1355612768.db2.gz YRXZHDUPBCWUMF-PBHICJAKSA-N 2 0 335.517 2.069 10 0 EEAERP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccon1)C1CCC1 ZINC001667262447 1355691681 /nfs/dbraw/zinc/69/16/81/1355691681.db2.gz LEAWKOVILFODKX-QGZVFWFLSA-N 2 0 334.464 2.020 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667301743 1355704056 /nfs/dbraw/zinc/70/40/56/1355704056.db2.gz JLWQXRRUSUFKDU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001667441330 1355742898 /nfs/dbraw/zinc/74/28/98/1355742898.db2.gz XMZQYYLZRPTGSN-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1c(C(=O)NC[C@H](O)C[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001667848659 1355822172 /nfs/dbraw/zinc/82/21/72/1355822172.db2.gz ODHLQXLCDQGTLR-MRXNPFEDSA-N 2 0 346.475 2.149 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668065229 1355859900 /nfs/dbraw/zinc/85/99/00/1355859900.db2.gz HJORVTMTKCPKRE-SPYBWZPUSA-N 2 0 345.487 2.041 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001668163246 1355889504 /nfs/dbraw/zinc/88/95/04/1355889504.db2.gz NTBCYXHJFZYAHT-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001668326567 1355923927 /nfs/dbraw/zinc/92/39/27/1355923927.db2.gz SBSYESBLAXGKGO-FUHWJXTLSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CCNC/C(Cl)=C\Cl)CC[N@@H+]1C ZINC001668435900 1355940591 /nfs/dbraw/zinc/94/05/91/1355940591.db2.gz YDKYNQMCEGJJTA-YVAPMFQZSA-N 2 0 336.307 2.474 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001668581171 1355967283 /nfs/dbraw/zinc/96/72/83/1355967283.db2.gz DWYCBBKMYPFEAX-ROUUACIJSA-N 2 0 348.466 2.176 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC001668865226 1356027607 /nfs/dbraw/zinc/02/76/07/1356027607.db2.gz SLUARPMWVJUGMP-ARJAWSKDSA-N 2 0 337.414 2.211 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cnccc2C)C1 ZINC001668995261 1356063948 /nfs/dbraw/zinc/06/39/48/1356063948.db2.gz KDNCFBGGSDICBP-WRFKIARRSA-N 2 0 344.503 2.274 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001669020632 1356069199 /nfs/dbraw/zinc/06/91/99/1356069199.db2.gz GSMFECWCUHLYJO-HMECNJMJSA-N 2 0 327.472 2.278 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1F ZINC001669026696 1356070530 /nfs/dbraw/zinc/07/05/30/1356070530.db2.gz FNKZCAKGXCZJLJ-HPFMTEOYSA-N 2 0 335.467 2.482 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1 ZINC001669411669 1356156711 /nfs/dbraw/zinc/15/67/11/1356156711.db2.gz RXPICEZBFUGORU-MJGOQNOKSA-N 2 0 347.503 2.423 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]C/C=C/c2ccccc2)C1 ZINC001671779967 1356413077 /nfs/dbraw/zinc/41/30/77/1356413077.db2.gz ONBNXKIOWRUCKC-JRMCHAMMSA-N 2 0 329.488 2.480 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2conc2C)C1 ZINC001672805574 1356588311 /nfs/dbraw/zinc/58/83/11/1356588311.db2.gz NTALERXPQZVITP-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001672840877 1356597789 /nfs/dbraw/zinc/59/77/89/1356597789.db2.gz ZNMFAZHVEVPMLN-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCCOC)CC2)[NH+](C)C ZINC001674294700 1356814934 /nfs/dbraw/zinc/81/49/34/1356814934.db2.gz SFAVFNMJMUCNHC-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1C[C@H]1CCOC1 ZINC001675271281 1356956667 /nfs/dbraw/zinc/95/66/67/1356956667.db2.gz ZXFYIIDXWUDETM-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001675827854 1357052661 /nfs/dbraw/zinc/05/26/61/1357052661.db2.gz POACAPWUIGRMPS-WGSAOQKQSA-N 2 0 329.488 2.118 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CC[C@@H]2CCCO2)ccc2c[nH+]cn21 ZINC001698754406 1405043416 /nfs/dbraw/zinc/04/34/16/1405043416.db2.gz XUZPQXYZIMDSIT-PBHICJAKSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699107773 1405263137 /nfs/dbraw/zinc/26/31/37/1405263137.db2.gz WSFIBHPSQWJDDZ-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)c2cccc(C[NH+](C)C)c2)no1 ZINC001699551746 1405387510 /nfs/dbraw/zinc/38/75/10/1405387510.db2.gz SOYKCHGNJWSEFQ-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP C[C@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+](CCCCCF)C1 ZINC001699813874 1405504607 /nfs/dbraw/zinc/50/46/07/1405504607.db2.gz NLCDASUGVVCIRY-AEFFLSMTSA-N 2 0 325.472 2.049 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001699976408 1405618320 /nfs/dbraw/zinc/61/83/20/1405618320.db2.gz ODUUIXPJXWPKIS-BBWFWOEESA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)C[C@H]([NH3+])c1noc([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000842586788 769688567 /nfs/dbraw/zinc/68/85/67/769688567.db2.gz PXTQAVSJJFCRIM-MAUKXSAKSA-N 2 0 330.432 2.209 10 0 EEAERP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000843780290 781803898 /nfs/dbraw/zinc/80/38/98/781803898.db2.gz DIIYSKCTMUCKFJ-UHFFFAOYSA-N 2 0 340.471 2.477 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)CC[NH+](C)C)cc2)CC1 ZINC001135598211 784049424 /nfs/dbraw/zinc/04/94/24/784049424.db2.gz YZPSZJXWWZGCFW-INIZCTEOSA-N 2 0 332.492 2.355 10 0 EEAERP CC(C)OCCN1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819128913 785434370 /nfs/dbraw/zinc/43/43/70/785434370.db2.gz TWHJVOFWVXSEAQ-SFHVURJKSA-N 2 0 342.430 2.477 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@H](c2ccccc2)C1 ZINC000911548380 787521873 /nfs/dbraw/zinc/52/18/73/787521873.db2.gz GJFVVOILIZJLDM-ZRNYENFQSA-N 2 0 341.499 2.465 10 0 EEAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000911928430 787815415 /nfs/dbraw/zinc/81/54/15/787815415.db2.gz KORGHCVYZPTWGA-LJQANCHMSA-N 2 0 340.427 2.032 10 0 EEAERP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455417 789571779 /nfs/dbraw/zinc/57/17/79/789571779.db2.gz UCQUSRVQQLUWAV-IRXDYDNUSA-N 2 0 339.524 2.291 10 0 EEAERP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495549 789652158 /nfs/dbraw/zinc/65/21/58/789652158.db2.gz CDQJDXHGGWPWRS-QLFBSQMISA-N 2 0 326.444 2.479 10 0 EEAERP C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC[C@@H]1C[NH3+] ZINC000923498574 789680397 /nfs/dbraw/zinc/68/03/97/789680397.db2.gz PCWFRXGXRRGLJG-NWDGAFQWSA-N 2 0 326.400 2.498 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923502044 789687239 /nfs/dbraw/zinc/68/72/39/789687239.db2.gz WMKJJLIMNOXOAT-SZVBFZGTSA-N 2 0 329.488 2.439 10 0 EEAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846227176 790094089 /nfs/dbraw/zinc/09/40/89/790094089.db2.gz IKJXPFWPUIKCCW-WNRNVDISSA-N 2 0 339.524 2.432 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713427442 794596499 /nfs/dbraw/zinc/59/64/99/794596499.db2.gz YHAQJMKVJSMHDE-IZOMPHCZSA-N 2 0 327.472 2.283 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccnc1 ZINC000913936556 794604765 /nfs/dbraw/zinc/60/47/65/794604765.db2.gz RSDSBFRGCMSWCE-SFHVURJKSA-N 2 0 347.507 2.250 10 0 EEAERP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000913952650 794647146 /nfs/dbraw/zinc/64/71/46/794647146.db2.gz SALBMCWJDUBHAY-GOSISDBHSA-N 2 0 330.476 2.176 10 0 EEAERP O=C1NCCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716672147 796405656 /nfs/dbraw/zinc/40/56/56/796405656.db2.gz ICXJRILMRJFACN-ZSYWTGECSA-N 2 0 327.472 2.298 10 0 EEAERP CS[C@@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000921940326 798247540 /nfs/dbraw/zinc/24/75/40/798247540.db2.gz QWFJPWLGXUUMHT-XHSDSOJGSA-N 2 0 329.554 2.343 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922532945 801256443 /nfs/dbraw/zinc/25/64/43/801256443.db2.gz LCJZFVKITYHLQU-WBVHZDCISA-N 2 0 335.496 2.102 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000922557087 801304421 /nfs/dbraw/zinc/30/44/21/801304421.db2.gz HKERXGSJCIIWAG-APWZRJJASA-N 2 0 330.520 2.399 10 0 EEAERP C[C@@H](c1cnccn1)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001566454512 1125615562 /nfs/dbraw/zinc/61/55/62/1125615562.db2.gz YPTKTOAFVLOYDZ-INIZCTEOSA-N 2 0 347.507 2.240 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1cnc(C)cn1 ZINC001566550447 1125721504 /nfs/dbraw/zinc/72/15/04/1125721504.db2.gz IOYPGPGOODJYDP-BRWVUGGUSA-N 2 0 347.507 2.014 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001436411045 1087764838 /nfs/dbraw/zinc/76/48/38/1087764838.db2.gz FNMXWJYAVLFIJE-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)C1CCC1 ZINC001436954804 1088642093 /nfs/dbraw/zinc/64/20/93/1088642093.db2.gz OYBZCVUWJUUIRH-CALCHBBNSA-N 2 0 340.471 2.389 10 0 EEAERP Cc1ccc(CC[N@H+]2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001437001351 1088756323 /nfs/dbraw/zinc/75/63/23/1088756323.db2.gz KEWGCSLRBDONLN-IBGZPJMESA-N 2 0 331.504 2.317 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001437217361 1089297633 /nfs/dbraw/zinc/29/76/33/1089297633.db2.gz UQDBHCRWESVIBI-SJLPKXTDSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc2ccccc2s1 ZINC001437260336 1089403207 /nfs/dbraw/zinc/40/32/07/1089403207.db2.gz LJYOMQZRJUXGFD-HIFRSBDPSA-N 2 0 331.485 2.447 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC001437397167 1089654785 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C[C@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438668765 1091157753 /nfs/dbraw/zinc/15/77/53/1091157753.db2.gz VGMZOXFMFQQSJQ-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1cnc(C[NH2+][C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)C)s1 ZINC001438832207 1091453025 /nfs/dbraw/zinc/45/30/25/1091453025.db2.gz XUPDWNUZUPXVHV-DZGCQCFKSA-N 2 0 338.521 2.024 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001445753944 1091593909 /nfs/dbraw/zinc/59/39/09/1091593909.db2.gz KQEAJXNZFLBALJ-KGLIPLIRSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001445753953 1091594085 /nfs/dbraw/zinc/59/40/85/1091594085.db2.gz KQEAJXNZFLBALJ-UONOGXRCSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001438939209 1091623224 /nfs/dbraw/zinc/62/32/24/1091623224.db2.gz SJPNCBWQHIGOHF-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC[C@@H]1CCOC1 ZINC001438939741 1091625189 /nfs/dbraw/zinc/62/51/89/1091625189.db2.gz UVYJVKIUSRMFFC-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445785279 1091652388 /nfs/dbraw/zinc/65/23/88/1091652388.db2.gz ZHHGJIZWLPJIQY-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439103505 1091748740 /nfs/dbraw/zinc/74/87/40/1091748740.db2.gz PDFPMQLQVCAAJY-ABAIWWIYSA-N 2 0 327.831 2.168 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F)[NH+](C)C ZINC001439155011 1091796354 /nfs/dbraw/zinc/79/63/54/1091796354.db2.gz RNEJGWPPNCDTAM-LYRGGWFBSA-N 2 0 339.430 2.387 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439224167 1091869867 /nfs/dbraw/zinc/86/98/67/1091869867.db2.gz PBIAGSDIPHILMF-DOTOQJQBSA-N 2 0 349.523 2.107 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001439413598 1092181701 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UQDJGRRENDGOEL-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440121028 1093182161 /nfs/dbraw/zinc/18/21/61/1093182161.db2.gz NAHCFVZRIXPHEL-YPZZQQJBSA-N 2 0 329.488 2.478 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](Cc3cccc(F)c3)CC2(C)C)CC1 ZINC001448389054 1093380410 /nfs/dbraw/zinc/38/04/10/1093380410.db2.gz OQQGUKDHUIZLLF-KRWDZBQOSA-N 2 0 347.478 2.494 10 0 EEAERP Cc1nc(C[NH+]2C[C@@H]3CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]3C2)co1 ZINC001448470895 1093484503 /nfs/dbraw/zinc/48/45/03/1093484503.db2.gz MIIYGFZDGXIHHM-YESZJQIVSA-N 2 0 348.491 2.040 10 0 EEAERP CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)Cc3ccccc3)C[C@@]2(C)C1 ZINC001448484081 1093507249 /nfs/dbraw/zinc/50/72/49/1093507249.db2.gz SXWYLWUKSUQKTG-BGYRXZFFSA-N 2 0 329.488 2.309 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001448503047 1093529341 /nfs/dbraw/zinc/52/93/41/1093529341.db2.gz QFEVARNWZSHKGZ-IYARVYRRSA-N 2 0 329.488 2.464 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001448698265 1093762037 /nfs/dbraw/zinc/76/20/37/1093762037.db2.gz MRVGNNFUILYELQ-WMLDXEAASA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnc(Cl)s1 ZINC001448732547 1093804578 /nfs/dbraw/zinc/80/45/78/1093804578.db2.gz YAPDSYNLSXRERQ-NWDGAFQWSA-N 2 0 344.912 2.075 10 0 EEAERP CC[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)OC ZINC001440722632 1093967500 /nfs/dbraw/zinc/96/75/00/1093967500.db2.gz SIQIYFDPODWACY-NXWXRZEISA-N 2 0 347.503 2.123 10 0 EEAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001440725527 1093969473 /nfs/dbraw/zinc/96/94/73/1093969473.db2.gz AAGIZNGJJQTKGI-KRWDZBQOSA-N 2 0 349.523 2.027 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2cccc(N(C)C)c2)CCN1C(=O)CCC[NH+](C)C ZINC001448976619 1093980873 /nfs/dbraw/zinc/98/08/73/1093980873.db2.gz GLBJIQFNNPLDIT-QFBILLFUSA-N 2 0 346.519 2.173 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cncc(C)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441116907 1094435809 /nfs/dbraw/zinc/43/58/09/1094435809.db2.gz LRQMKZLLTIBWES-MSOLQXFVSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441203879 1094565271 /nfs/dbraw/zinc/56/52/71/1094565271.db2.gz JMJZNGBHKBGFBR-DLBZAZTESA-N 2 0 329.488 2.273 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001441229458 1094608855 /nfs/dbraw/zinc/60/88/55/1094608855.db2.gz BKCCNAALHLEPJP-NJEVBOHQSA-N 2 0 327.900 2.486 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@]2(C)C[N@H+](C/C=C/Cl)C[C@]2(C)C1 ZINC001441334208 1094802145 /nfs/dbraw/zinc/80/21/45/1094802145.db2.gz LARFSKTXOGMYKA-RGBLOPSHSA-N 2 0 327.900 2.251 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1)[NH+](C)C ZINC001441354005 1094869163 /nfs/dbraw/zinc/86/91/63/1094869163.db2.gz PQMXGDUGPXMLET-NSISKUIASA-N 2 0 343.515 2.500 10 0 EEAERP Cc1csc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)n1 ZINC001441398974 1094967405 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NDNHOELBVPVKET-WFASDCNBSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001441854194 1095945525 /nfs/dbraw/zinc/94/55/25/1095945525.db2.gz FBBVOWOOITXFBP-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1C ZINC001441858547 1095955493 /nfs/dbraw/zinc/95/54/93/1095955493.db2.gz HSIQEEZPFOKYKQ-CRAIPNDOSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441947293 1096146869 /nfs/dbraw/zinc/14/68/69/1096146869.db2.gz XQAQCEAPKMOJKZ-AWEZNQCLSA-N 2 0 328.460 2.104 10 0 EEAERP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001441980571 1096184105 /nfs/dbraw/zinc/18/41/05/1096184105.db2.gz LNPWUYJJSDDKTL-SJORKVTESA-N 2 0 347.503 2.261 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1Cl ZINC001442016056 1096222174 /nfs/dbraw/zinc/22/21/74/1096222174.db2.gz YHTNBCKJYQHCSV-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001442045536 1096255482 /nfs/dbraw/zinc/25/54/82/1096255482.db2.gz HLQOLQRXDUPZDC-RDJZCZTQSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1cncs1 ZINC001442119934 1096354473 /nfs/dbraw/zinc/35/44/73/1096354473.db2.gz OGJMZAMIQWKIOW-CYBMUJFWSA-N 2 0 332.473 2.113 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C)o1 ZINC001442160053 1096417279 /nfs/dbraw/zinc/41/72/79/1096417279.db2.gz YWJLCJWICQQWNE-HZPDHXFCSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1OC1CC1 ZINC001442742216 1097117283 /nfs/dbraw/zinc/11/72/83/1097117283.db2.gz ACXVTJZXCKWKCJ-QGZVFWFLSA-N 2 0 345.487 2.118 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001442744710 1097120812 /nfs/dbraw/zinc/12/08/12/1097120812.db2.gz LGFFMQPDOQCEBR-LJQANCHMSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001442813505 1097198800 /nfs/dbraw/zinc/19/88/00/1097198800.db2.gz TXQPUOFKLKYPME-MOPGFXCFSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001443821580 1098323884 /nfs/dbraw/zinc/32/38/84/1098323884.db2.gz YKGUHZPKAPBXGY-IRXDYDNUSA-N 2 0 348.491 2.199 10 0 EEAERP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001443853587 1098374223 /nfs/dbraw/zinc/37/42/23/1098374223.db2.gz JGGANJYAPJYOJF-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001479476413 1098557110 /nfs/dbraw/zinc/55/71/10/1098557110.db2.gz SFHREYDZETZMAO-SCTDSRPQSA-N 2 0 347.503 2.410 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001444039626 1098557823 /nfs/dbraw/zinc/55/78/23/1098557823.db2.gz PFFPVCZJFUSQKX-KRWDZBQOSA-N 2 0 345.487 2.084 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001479495644 1098565741 /nfs/dbraw/zinc/56/57/41/1098565741.db2.gz SPQISTCHOSXQFC-ZWKOTPCHSA-N 2 0 344.503 2.332 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@H]1CCC(F)(F)C1 ZINC001479793001 1099002967 /nfs/dbraw/zinc/00/29/67/1099002967.db2.gz DCCIDPFNPKAAMK-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CCc2ccccc2)CC1 ZINC001479804133 1099042382 /nfs/dbraw/zinc/04/23/82/1099042382.db2.gz PNKUVOPRCCSBKO-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](Cc2cncc(F)c2)C2CC2)CC[N@@H+]1C ZINC001479869017 1099209237 /nfs/dbraw/zinc/20/92/37/1099209237.db2.gz QFXDZHXNMQRWSD-RDTXWAMCSA-N 2 0 348.466 2.032 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C(=O)CC[NH+](C)C ZINC001444670388 1099510561 /nfs/dbraw/zinc/51/05/61/1099510561.db2.gz RXTABGPRMXWTRP-SJORKVTESA-N 2 0 331.504 2.180 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1)C1CCC1 ZINC001480112083 1099678250 /nfs/dbraw/zinc/67/82/50/1099678250.db2.gz ZEVVDBLSQSAKPO-ZDUSSCGKSA-N 2 0 335.414 2.394 10 0 EEAERP 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CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CCCOCC)C2)CC1 ZINC001495602234 1101314535 /nfs/dbraw/zinc/31/45/35/1101314535.db2.gz HCJPIPRGOXQHFN-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001446939315 1101626103 /nfs/dbraw/zinc/62/61/03/1101626103.db2.gz HGHDWHPGDGHZPH-IEBWSBKVSA-N 2 0 331.504 2.396 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001495914750 1101757766 /nfs/dbraw/zinc/75/77/66/1101757766.db2.gz KCXIDHGYNDWYHJ-HOTGVXAUSA-N 2 0 325.472 2.095 10 0 EEAERP C[C@@H](CNCc1ncc(Cl)s1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496091323 1102039203 /nfs/dbraw/zinc/03/92/03/1102039203.db2.gz AWZAYSWEYZITGR-NWDGAFQWSA-N 2 0 344.912 2.217 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204468 1102122919 /nfs/dbraw/zinc/12/29/19/1102122919.db2.gz DPTPGVCSVPDKTP-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001497210117 1102131957 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ZINC001447877543 1103498977 /nfs/dbraw/zinc/49/89/77/1103498977.db2.gz YIIGGYFCRNIBLY-OLZOCXBDSA-N 2 0 336.480 2.013 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001494130433 1103569623 /nfs/dbraw/zinc/56/96/23/1103569623.db2.gz CCXDLEZUSWDASV-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1cncc(C[N@@H+](C)[C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001448074167 1103944776 /nfs/dbraw/zinc/94/47/76/1103944776.db2.gz ZOXQJTFQQQCZAQ-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1oncc1C[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001448224429 1104209148 /nfs/dbraw/zinc/20/91/48/1104209148.db2.gz AEARYGRSWCBIFU-MRXNPFEDSA-N 2 0 348.491 2.234 10 0 EEAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1oc(C)nc1C ZINC001495005642 1104649192 /nfs/dbraw/zinc/64/91/92/1104649192.db2.gz YHMNNYNKBCOCKU-MRXNPFEDSA-N 2 0 348.491 2.152 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495012133 1104655330 /nfs/dbraw/zinc/65/53/30/1104655330.db2.gz CGQXGZAQCDYKSS-HNNXBMFYSA-N 2 0 348.491 2.158 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001498053993 1106849768 /nfs/dbraw/zinc/84/97/68/1106849768.db2.gz WBNSKFBMIMIPBG-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498059328 1106860886 /nfs/dbraw/zinc/86/08/86/1106860886.db2.gz AICUNNFDRRZSDV-KRWDZBQOSA-N 2 0 329.488 2.465 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001480682731 1106876032 /nfs/dbraw/zinc/87/60/32/1106876032.db2.gz HMPCCMKASIQHDT-AWEZNQCLSA-N 2 0 339.430 2.243 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001480706488 1106924942 /nfs/dbraw/zinc/92/49/42/1106924942.db2.gz FACOCGPIZFVMPT-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190851 1107053531 /nfs/dbraw/zinc/05/35/31/1107053531.db2.gz UTDYSZWHDKVZML-AAEUAGOBSA-N 2 0 327.831 2.025 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CCC[C@@H]2CCCNC(=O)CC[NH+](C)C)o1 ZINC001480830908 1107219662 /nfs/dbraw/zinc/21/96/62/1107219662.db2.gz QKNGLHRBTFXWPO-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001493044906 1107382363 /nfs/dbraw/zinc/38/23/63/1107382363.db2.gz HBNBMWKGHISFFP-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001493139450 1107580720 /nfs/dbraw/zinc/58/07/20/1107580720.db2.gz GRGWBQGIOODVFQ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001493263564 1107806814 /nfs/dbraw/zinc/80/68/14/1107806814.db2.gz LBXFWWVCBMXGMH-JKSUJKDBSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001493266582 1107811236 /nfs/dbraw/zinc/81/12/36/1107811236.db2.gz HVRRYUMWNQGBKZ-HNNXBMFYSA-N 2 0 338.521 2.038 10 0 EEAERP CC/C=C\CC[N@H+](CCNC(=O)[C@@H]1CCc2nccn2C1)C1CC1 ZINC001493386038 1108044006 /nfs/dbraw/zinc/04/40/06/1108044006.db2.gz XSGSACPIUYNEHU-MJSXRHKHSA-N 2 0 330.476 2.382 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493498863 1108237846 /nfs/dbraw/zinc/23/78/46/1108237846.db2.gz DUQYRGKWWSRODM-PKOBYXMFSA-N 2 0 329.488 2.249 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498861362 1108238535 /nfs/dbraw/zinc/23/85/35/1108238535.db2.gz CQCIDBUVEKEBBT-KXBFYZLASA-N 2 0 345.487 2.336 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](CNCc1csc(Cl)n1)C1CC1 ZINC001498874954 1108260373 /nfs/dbraw/zinc/26/03/73/1108260373.db2.gz MEKNAKKFGZURIY-CYBMUJFWSA-N 2 0 344.912 2.121 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](CNCc1csc(Cl)n1)C1CC1 ZINC001498874956 1108261544 /nfs/dbraw/zinc/26/15/44/1108261544.db2.gz MEKNAKKFGZURIY-ZDUSSCGKSA-N 2 0 344.912 2.121 10 0 EEAERP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]Cc1nocc1C ZINC001498904718 1108302340 /nfs/dbraw/zinc/30/23/40/1108302340.db2.gz WNLAYXFLICYGER-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(C)c(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001499067454 1108531091 /nfs/dbraw/zinc/53/10/91/1108531091.db2.gz WGEZPCSCTWLMPH-VQIMIIECSA-N 2 0 329.488 2.336 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC001493764887 1108640940 /nfs/dbraw/zinc/64/09/40/1108640940.db2.gz ZMOBOXONPTVLCH-VQIMIIECSA-N 2 0 331.504 2.180 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493806848 1108686873 /nfs/dbraw/zinc/68/68/73/1108686873.db2.gz QGQIQEOHXYMXEV-SFHVURJKSA-N 2 0 332.492 2.058 10 0 EEAERP CCCCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001493836143 1108718760 /nfs/dbraw/zinc/71/87/60/1108718760.db2.gz GEGNHNBYHNIILW-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001470212887 1110503085 /nfs/dbraw/zinc/50/30/85/1110503085.db2.gz YYWGRAIQTORQFE-GVDBMIGSSA-N 2 0 326.529 2.384 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)sn1 ZINC001479338091 1110682883 /nfs/dbraw/zinc/68/28/83/1110682883.db2.gz JIVLBQKRGFHSKT-LZWOXQAQSA-N 2 0 338.521 2.022 10 0 EEAERP CCc1nocc1C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499574445 1112380746 /nfs/dbraw/zinc/38/07/46/1112380746.db2.gz TXTUZHSXBWYUTD-IBGZPJMESA-N 2 0 348.491 2.003 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001499883209 1112528239 /nfs/dbraw/zinc/52/82/39/1112528239.db2.gz SULNZBREWLDVRX-MJGOQNOKSA-N 2 0 345.487 2.049 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CCCC2)C1 ZINC001500125373 1112629472 /nfs/dbraw/zinc/62/94/72/1112629472.db2.gz HPNBDTLWSDUEKB-SJORKVTESA-N 2 0 335.517 2.464 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500164143 1112649411 /nfs/dbraw/zinc/64/94/11/1112649411.db2.gz XRSGZZROPVFORG-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001500496693 1112888560 /nfs/dbraw/zinc/88/85/60/1112888560.db2.gz XGFLTWQQRCNHFS-HKUYNNGSSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001501146164 1113214753 /nfs/dbraw/zinc/21/47/53/1113214753.db2.gz JQQYHQQBCJWCJX-CVEARBPZSA-N 2 0 347.528 2.071 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)no2)C1 ZINC001501574577 1113387680 /nfs/dbraw/zinc/38/76/80/1113387680.db2.gz PJDKYUPHNPGGFK-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001501651300 1113416017 /nfs/dbraw/zinc/41/60/17/1113416017.db2.gz NWTNZGPRVBGMNA-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C ZINC001505414354 1113948332 /nfs/dbraw/zinc/94/83/32/1113948332.db2.gz CISCFUKSADXPLD-KZNAEPCWSA-N 2 0 335.467 2.447 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001505731445 1114156035 /nfs/dbraw/zinc/15/60/35/1114156035.db2.gz CEVODKRXZCRXRX-DLBZAZTESA-N 2 0 329.488 2.382 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505731739 1114156698 /nfs/dbraw/zinc/15/66/98/1114156698.db2.gz DRJZYBCSKXDXHO-GJZGRUSLSA-N 2 0 333.451 2.213 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCC2CCOCC2)CC1 ZINC001505784947 1114191109 /nfs/dbraw/zinc/19/11/09/1114191109.db2.gz UHQJHSZGOZKFEP-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506001659 1114333614 /nfs/dbraw/zinc/33/36/14/1114333614.db2.gz FWHDXCNJUYIBFC-DLBZAZTESA-N 2 0 343.515 2.454 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cc(C)ncn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506535320 1114680833 /nfs/dbraw/zinc/68/08/33/1114680833.db2.gz IEGAFJXBKYVQAS-SJLPKXTDSA-N 2 0 347.507 2.034 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cncc(C)c2)CC1(C)C ZINC001506749470 1114862389 /nfs/dbraw/zinc/86/23/89/1114862389.db2.gz FLJHTXBRDGFWBX-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001506802865 1114887235 /nfs/dbraw/zinc/88/72/35/1114887235.db2.gz JQZLOVARONCTRV-PILAGYSTSA-N 2 0 333.451 2.132 10 0 EEAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001506860781 1114926949 /nfs/dbraw/zinc/92/69/49/1114926949.db2.gz YQADZHGMFHPZCS-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001506869142 1114940081 /nfs/dbraw/zinc/94/00/81/1114940081.db2.gz RMCFIOXWPJYRCL-BGYRXZFFSA-N 2 0 344.503 2.012 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CCC1 ZINC001506886640 1114950946 /nfs/dbraw/zinc/95/09/46/1114950946.db2.gz ODDAMYCGMLSZSS-HSFUPAIVSA-N 2 0 333.520 2.391 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506913942 1114969031 /nfs/dbraw/zinc/96/90/31/1114969031.db2.gz KFHCPKVDJOXPEM-GUYCJALGSA-N 2 0 334.464 2.021 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001506945082 1114993351 /nfs/dbraw/zinc/99/33/51/1114993351.db2.gz VTZTXRDYJQZLCR-QGZVFWFLSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ncsc1C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001506975491 1115025105 /nfs/dbraw/zinc/02/51/05/1115025105.db2.gz GZRVMTOSLVQOLK-UHFFFAOYSA-N 2 0 338.521 2.215 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001507118180 1115117685 /nfs/dbraw/zinc/11/76/85/1115117685.db2.gz MARGZVUPKDZJIH-HNNXBMFYSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CC1=CCCCC1 ZINC001507136764 1115128303 /nfs/dbraw/zinc/12/83/03/1115128303.db2.gz CQPMHNHYBPPJCD-INIZCTEOSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001507152232 1115136042 /nfs/dbraw/zinc/13/60/42/1115136042.db2.gz ACLXPDNPLLLNME-HOTGVXAUSA-N 2 0 332.492 2.093 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)c1 ZINC001507317462 1115189712 /nfs/dbraw/zinc/18/97/12/1115189712.db2.gz GYRQYCBGVJOHKL-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507326985 1115194236 /nfs/dbraw/zinc/19/42/36/1115194236.db2.gz OFBKODRRBYFSRB-IRXDYDNUSA-N 2 0 341.540 2.216 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001507433245 1115266152 /nfs/dbraw/zinc/26/61/52/1115266152.db2.gz FCWCJBGJNBYFRH-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)s1 ZINC001508028252 1115392863 /nfs/dbraw/zinc/39/28/63/1115392863.db2.gz NUEFZNZEJHKCGS-ZIAGYGMSSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)=CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001508179974 1115435860 /nfs/dbraw/zinc/43/58/60/1115435860.db2.gz OHAKUITUZHUKOG-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP COCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001568105704 1124306047 /nfs/dbraw/zinc/30/60/47/1124306047.db2.gz VUXJUUUNVUCDPW-BZSNNMDCSA-N 2 0 339.524 2.303 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CC[NH+](CCCCCF)C3)CC2)C1 ZINC001568157430 1124332527 /nfs/dbraw/zinc/33/25/27/1124332527.db2.gz CCTORVQLUQPWFB-QGZVFWFLSA-N 2 0 339.499 2.392 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568274344 1124398677 /nfs/dbraw/zinc/39/86/77/1124398677.db2.gz ULUHGUSPEXPMBZ-PXNSSMCTSA-N 2 0 343.515 2.316 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001568401752 1124471059 /nfs/dbraw/zinc/47/10/59/1124471059.db2.gz YBHHKNQGCUORJK-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001568428238 1124496625 /nfs/dbraw/zinc/49/66/25/1124496625.db2.gz DSGQCCWLKFVVAE-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001568544954 1124604144 /nfs/dbraw/zinc/60/41/44/1124604144.db2.gz JYPVBWQPBJUJAG-MJGOQNOKSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1ccc(OCC[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001568645553 1124657494 /nfs/dbraw/zinc/65/74/94/1124657494.db2.gz IFOMRZKFUSKBBG-PKOBYXMFSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C(C)(C)C)on1)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699084 1124713429 /nfs/dbraw/zinc/71/34/29/1124713429.db2.gz MCIQEGCHEBMOSM-CQSZACIVSA-N 2 0 348.491 2.052 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001568911890 1124939576 /nfs/dbraw/zinc/93/95/76/1124939576.db2.gz IIEMFQNFLDDPBC-NSCUHMNNSA-N 2 0 335.879 2.444 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl)[NH+](C)C ZINC001569017256 1125044817 /nfs/dbraw/zinc/04/48/17/1125044817.db2.gz FGPSAIXUSQMLRC-JHJVBQTASA-N 2 0 338.323 2.251 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569058452 1125071142 /nfs/dbraw/zinc/07/11/42/1125071142.db2.gz FCLWPXIWYGZHHQ-RCCFBDPRSA-N 2 0 347.503 2.198 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001569138883 1125120743 /nfs/dbraw/zinc/12/07/43/1125120743.db2.gz HLVLYWHNXYUGFE-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415965647 529886516 /nfs/dbraw/zinc/88/65/16/529886516.db2.gz ARTSRNRVNGGSOE-UHFFFAOYSA-N 2 0 334.439 2.421 10 0 EEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000071187994 202341061 /nfs/dbraw/zinc/34/10/61/202341061.db2.gz RTDFIOCXQVPCHH-WFASDCNBSA-N 2 0 326.282 2.332 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422876549 240272418 /nfs/dbraw/zinc/27/24/18/240272418.db2.gz QIWUPIOTLFBQLQ-SPYBWZPUSA-N 2 0 333.476 2.260 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000446712359 242215194 /nfs/dbraw/zinc/21/51/94/242215194.db2.gz QUDFIQSATUTFHH-HXUWFJFHSA-N 2 0 329.488 2.251 10 0 EEAERP CCn1c2cccc(F)c2nc1C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069705538 203040063 /nfs/dbraw/zinc/04/00/63/203040063.db2.gz RXCOSYBQLIUJQS-UHFFFAOYSA-N 2 0 348.466 2.331 10 0 EEAERP Cc1ccc([C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000071871592 203133577 /nfs/dbraw/zinc/13/35/77/203133577.db2.gz TWNPZRUJXIKJFW-YLJYHZDGSA-N 2 0 334.504 2.361 10 0 EEAERP Cc1c(CN(C)C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)[nH]c2ccccc12 ZINC000072131861 203167111 /nfs/dbraw/zinc/16/71/11/203167111.db2.gz AVNZZTZKBQMIFM-KRWDZBQOSA-N 2 0 340.471 2.166 10 0 EEAERP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1ccccn1)CC[NH+](C)CC2 ZINC000072477750 203232077 /nfs/dbraw/zinc/23/20/77/203232077.db2.gz QWZKODCYGDQQQU-SFHVURJKSA-N 2 0 344.503 2.236 10 0 EEAERP Cc1cccc(-c2noc(C[NH2+]CC3CC[NH+](C[C@H](C)O)CC3)n2)c1 ZINC000075131197 203304880 /nfs/dbraw/zinc/30/48/80/203304880.db2.gz VORXZRDYQCJBHI-HNNXBMFYSA-N 2 0 344.459 2.227 10 0 EEAERP C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCC[N@H+](C)CC1 ZINC000043091031 204211799 /nfs/dbraw/zinc/21/17/99/204211799.db2.gz KLFLRIAZVOBJKM-WFASDCNBSA-N 2 0 326.282 2.475 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266089318 248088705 /nfs/dbraw/zinc/08/87/05/248088705.db2.gz ZBCATAWBJHBQJP-KRWDZBQOSA-N 2 0 345.487 2.185 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCC(O)CC1 ZINC000268804225 252256633 /nfs/dbraw/zinc/25/66/33/252256633.db2.gz BXSKGPNWEWULMD-WIYYLYMNSA-N 2 0 345.531 2.333 10 0 EEAERP COc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)ccc1S(C)(=O)=O ZINC000268811215 252262307 /nfs/dbraw/zinc/26/23/07/252262307.db2.gz BBBIYHCEBWTRTJ-CYBMUJFWSA-N 2 0 328.478 2.091 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000138160645 140817131 /nfs/dbraw/zinc/81/71/31/140817131.db2.gz KOFHSOAGRPLOOM-ROUUACIJSA-N 2 0 336.524 2.234 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000261626903 292253481 /nfs/dbraw/zinc/25/34/81/292253481.db2.gz CPCUZQCXWHOORA-OALUTQOASA-N 2 0 345.487 2.002 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354176380 153153985 /nfs/dbraw/zinc/15/39/85/153153985.db2.gz KDWYJFRCGAXMMX-IBGZPJMESA-N 3 0 325.460 2.493 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000074270732 159062688 /nfs/dbraw/zinc/06/26/88/159062688.db2.gz APVQWBAQUMCXSH-INIZCTEOSA-N 2 0 336.455 2.171 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000119308591 159377072 /nfs/dbraw/zinc/37/70/72/159377072.db2.gz IFWRVSKHSKVGPM-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000247278051 160317603 /nfs/dbraw/zinc/31/76/03/160317603.db2.gz KEOXRQHJEIBCKZ-XMTFNYHQSA-N 2 0 338.540 2.382 10 0 EEAERP O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158607 160339212 /nfs/dbraw/zinc/33/92/12/160339212.db2.gz RTCFFMBLFAUBNC-PKOBYXMFSA-N 2 0 327.472 2.252 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000343518493 161143151 /nfs/dbraw/zinc/14/31/51/161143151.db2.gz LPTANBXKNVCDES-FQEVSTJZSA-N 2 0 340.471 2.206 10 0 EEAERP COC(=O)[C@@H](CC(C)C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000375722205 167179081 /nfs/dbraw/zinc/17/90/81/167179081.db2.gz IFXYLPMHVBNLEQ-QGZVFWFLSA-N 2 0 326.481 2.008 10 0 EEAERP Cc1ccnc(C)c1NC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000376593845 167357259 /nfs/dbraw/zinc/35/72/59/167357259.db2.gz WUQXDMDMLPMSIP-INIZCTEOSA-N 2 0 332.448 2.417 10 0 EEAERP C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000272688818 269009705 /nfs/dbraw/zinc/00/97/05/269009705.db2.gz BYOZGJHRYANZDV-APWZRJJASA-N 2 0 344.503 2.109 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000278370061 269226635 /nfs/dbraw/zinc/22/66/35/269226635.db2.gz KFQANHULZIDIPS-UHFFFAOYSA-N 2 0 342.462 2.437 10 0 EEAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292147995 275384476 /nfs/dbraw/zinc/38/44/76/275384476.db2.gz NFQLBKGGYAXLFC-IBGZPJMESA-N 2 0 331.460 2.442 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170829106 276110038 /nfs/dbraw/zinc/11/00/38/276110038.db2.gz ZIVZFCFKGLHRKJ-GOSISDBHSA-N 2 0 332.492 2.374 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@H]21 ZINC000415952071 277082848 /nfs/dbraw/zinc/08/28/48/277082848.db2.gz GXEHEWMPDVWUPA-WMLDXEAASA-N 2 0 346.450 2.419 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000340143364 277167504 /nfs/dbraw/zinc/16/75/04/277167504.db2.gz CRMFXWCLKZBHSF-YRXWBPOGSA-N 2 0 342.487 2.358 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1cccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1 ZINC000488736301 278097050 /nfs/dbraw/zinc/09/70/50/278097050.db2.gz QKRPTSISIGRDCC-YKCBXCCJSA-N 2 0 332.488 2.092 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000414729988 313070936 /nfs/dbraw/zinc/07/09/36/313070936.db2.gz FUMBCWSIRLRXGV-UHFFFAOYSA-N 2 0 345.491 2.220 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC(CC)(CC)C[NH3+])CC1 ZINC000414736608 313072220 /nfs/dbraw/zinc/07/22/20/313072220.db2.gz NBXNRSVIBCFLFY-UHFFFAOYSA-N 2 0 347.507 2.468 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)c1cccs1 ZINC000416442416 313224618 /nfs/dbraw/zinc/22/46/18/313224618.db2.gz XQCOPICJXNJTJN-CQSZACIVSA-N 2 0 336.505 2.136 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418579297 313851505 /nfs/dbraw/zinc/85/15/05/313851505.db2.gz RGDZTIIXFMPJFM-AEFFLSMTSA-N 2 0 332.492 2.066 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000418604809 313857990 /nfs/dbraw/zinc/85/79/90/313857990.db2.gz PCEKPMYREDJTEU-SQNIBIBYSA-N 2 0 336.524 2.425 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440336624 315124188 /nfs/dbraw/zinc/12/41/88/315124188.db2.gz GNXPVJDJUBFZFD-UHFFFAOYSA-N 2 0 345.516 2.321 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC000525620637 317063851 /nfs/dbraw/zinc/06/38/51/317063851.db2.gz CFXRLDLXEKIZLO-BHIYHBOVSA-N 2 0 344.503 2.235 10 0 EEAERP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000527950609 317291535 /nfs/dbraw/zinc/29/15/35/317291535.db2.gz AKRJBUYRXUJZJP-OUUBHVDSSA-N 2 0 330.472 2.312 10 0 EEAERP COc1cccc(OCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530240482 317703400 /nfs/dbraw/zinc/70/34/00/317703400.db2.gz LXOAPLIAYXRIMC-LJQANCHMSA-N 2 0 334.460 2.165 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000542313224 318126253 /nfs/dbraw/zinc/12/62/53/318126253.db2.gz OCFNIUKDNPQMTI-OAHLLOKOSA-N 2 0 326.400 2.110 10 0 EEAERP C[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543688602 318165958 /nfs/dbraw/zinc/16/59/58/318165958.db2.gz DNZDXAACAUILTF-IEBWSBKVSA-N 2 0 346.519 2.490 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000563593439 319027094 /nfs/dbraw/zinc/02/70/94/319027094.db2.gz VIVWKKFFVGTWSV-CABCVRRESA-N 2 0 344.450 2.080 10 0 EEAERP [NH3+]CCC[C@@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000576135258 320144497 /nfs/dbraw/zinc/14/44/97/320144497.db2.gz ZRAYHRNJQMYONT-IEBWSBKVSA-N 2 0 330.476 2.252 10 0 EEAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000576815025 320206198 /nfs/dbraw/zinc/20/61/98/320206198.db2.gz VVRJPFYLTMFIBL-XOKHGSTOSA-N 2 0 343.450 2.377 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000577229910 320243819 /nfs/dbraw/zinc/24/38/19/320243819.db2.gz DXPLYANVTIZYGP-INIZCTEOSA-N 2 0 330.476 2.109 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000185893908 323440041 /nfs/dbraw/zinc/44/00/41/323440041.db2.gz BOXMCEGUQPJTAO-MRXNPFEDSA-N 2 0 336.480 2.318 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000579828412 323937692 /nfs/dbraw/zinc/93/76/92/323937692.db2.gz WNUJDTJYRHOBDO-HBMCJLEFSA-N 2 0 345.531 2.158 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Cc1ccc(F)cc1C ZINC000580952206 324157679 /nfs/dbraw/zinc/15/76/79/324157679.db2.gz NRZICTZXMKIVMU-SKDZVZGDSA-N 2 0 335.467 2.017 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)CC[NH2+]C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000581380125 324241859 /nfs/dbraw/zinc/24/18/59/324241859.db2.gz IXGXMUVJKNBEJP-AZUAARDMSA-N 2 0 343.471 2.231 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000582953465 324562737 /nfs/dbraw/zinc/56/27/37/324562737.db2.gz DRDCOHLCKMWAQI-HKUYNNGSSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000085393888 462544225 /nfs/dbraw/zinc/54/42/25/462544225.db2.gz RUWNBTVDSITQQS-WMZOPIPTSA-N 2 0 348.535 2.435 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000112924209 462554832 /nfs/dbraw/zinc/55/48/32/462554832.db2.gz TUOGMLAQXJQFHQ-AEFFLSMTSA-N 2 0 333.451 2.248 10 0 EEAERP C[C@H](O)C[NH+]1CCC(CN(C)Cc2nc(C3CCCC3)no2)CC1 ZINC000152660341 462566321 /nfs/dbraw/zinc/56/63/21/462566321.db2.gz STTQSJGALXERGP-AWEZNQCLSA-N 2 0 336.480 2.252 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000129316488 462699505 /nfs/dbraw/zinc/69/95/05/462699505.db2.gz YCGFTAKONOUACD-UHFFFAOYSA-N 2 0 335.496 2.116 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000121591121 463163900 /nfs/dbraw/zinc/16/39/00/463163900.db2.gz IRTGJPBJDHNLOT-CABCVRRESA-N 2 0 339.505 2.107 10 0 EEAERP COc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123281094 463330174 /nfs/dbraw/zinc/33/01/74/463330174.db2.gz MKCQBIQHVGXEJM-UKRRQHHQSA-N 2 0 335.448 2.057 10 0 EEAERP C[C@@H]1C[C@@H](N(C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123771202 463367690 /nfs/dbraw/zinc/36/76/90/463367690.db2.gz UBLXFSVKYCSXRB-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)o1 ZINC000170836277 463718351 /nfs/dbraw/zinc/71/83/51/463718351.db2.gz LOLWJYBRYKALQX-JKSUJKDBSA-N 2 0 334.464 2.070 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000185269971 463791479 /nfs/dbraw/zinc/79/14/79/463791479.db2.gz UIONKCSUYMBBPE-UHFFFAOYSA-N 2 0 332.492 2.376 10 0 EEAERP COc1cccc([C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[NH+](C)C)c1 ZINC000261632929 463808524 /nfs/dbraw/zinc/80/85/24/463808524.db2.gz HORAMVUNBQQMIC-IRXDYDNUSA-N 2 0 333.476 2.192 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179194080 464079368 /nfs/dbraw/zinc/07/93/68/464079368.db2.gz SWQGUKJHJYRKEB-ZWKOTPCHSA-N 2 0 332.492 2.463 10 0 EEAERP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000180124494 464247440 /nfs/dbraw/zinc/24/74/40/464247440.db2.gz FPGHCZKBBILUTM-YQQQUEKLSA-N 2 0 327.472 2.298 10 0 EEAERP C[C@@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000175385843 464537631 /nfs/dbraw/zinc/53/76/31/464537631.db2.gz AJEWQYPNKUUWMF-WMZOPIPTSA-N 2 0 332.492 2.290 10 0 EEAERP NC(=O)c1c[nH+]ccc1NCCN1CCc2c(Cl)cccc2C1 ZINC000189848623 464555161 /nfs/dbraw/zinc/55/51/61/464555161.db2.gz MIAXKLRHYMPWGZ-UHFFFAOYSA-N 2 0 330.819 2.304 10 0 EEAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733540 464616255 /nfs/dbraw/zinc/61/62/55/464616255.db2.gz GIYLGQHIDIAQFZ-RBSFLKMASA-N 2 0 347.425 2.203 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247185045 464655915 /nfs/dbraw/zinc/65/59/15/464655915.db2.gz LBMQUGGSHLVQQQ-ZACQAIPSSA-N 2 0 336.524 2.375 10 0 EEAERP CC1(C)OCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000295259076 464764669 /nfs/dbraw/zinc/76/46/69/464764669.db2.gz RFPDNUZFXLYBPV-GOSISDBHSA-N 2 0 345.487 2.056 10 0 EEAERP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384029 465695479 /nfs/dbraw/zinc/69/54/79/465695479.db2.gz CQCUBJBXBQLLMV-SJORKVTESA-N 2 0 339.549 2.335 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000362469889 465764672 /nfs/dbraw/zinc/76/46/72/465764672.db2.gz DATKAAFXRSXZEA-XDNAFOTISA-N 2 0 336.524 2.375 10 0 EEAERP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000357269550 465902535 /nfs/dbraw/zinc/90/25/35/465902535.db2.gz GNWMWYNUVJLDGZ-VQIMIIECSA-N 2 0 344.503 2.476 10 0 EEAERP COCc1cnc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000357348987 465970127 /nfs/dbraw/zinc/97/01/27/465970127.db2.gz HXIHZRAAPTXDMX-OKILXGFUSA-N 2 0 327.494 2.269 10 0 EEAERP CC(C)C[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC(C)C ZINC000302812567 466191510 /nfs/dbraw/zinc/19/15/10/466191510.db2.gz PKXJENOVMXPGCF-GOSISDBHSA-N 2 0 341.540 2.073 10 0 EEAERP Cc1ccncc1N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000340595425 466195310 /nfs/dbraw/zinc/19/53/10/466195310.db2.gz KRKFSFPPRWDHCP-INIZCTEOSA-N 2 0 347.484 2.151 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000363083379 466210964 /nfs/dbraw/zinc/21/09/64/466210964.db2.gz SQZXEAPHIHVWFF-IBGZPJMESA-N 2 0 329.488 2.499 10 0 EEAERP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349806808 466249507 /nfs/dbraw/zinc/24/95/07/466249507.db2.gz LBYLFQFRMGJBGI-MJGOQNOKSA-N 2 0 342.487 2.139 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000358181090 466520059 /nfs/dbraw/zinc/52/00/59/466520059.db2.gz CVZIXBMWKFPYGS-IEBWSBKVSA-N 2 0 346.519 2.297 10 0 EEAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[C@H](C)O1 ZINC000368452666 466640325 /nfs/dbraw/zinc/64/03/25/466640325.db2.gz DEVLRVIQSGBVFK-IYBDPMFKSA-N 2 0 343.475 2.451 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417049514 466764289 /nfs/dbraw/zinc/76/42/89/466764289.db2.gz UIPCUQHPDCTYED-AEFFLSMTSA-N 2 0 332.492 2.498 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000417157033 466792893 /nfs/dbraw/zinc/79/28/93/466792893.db2.gz ACJFIVDJMXJRNP-VYDXJSESSA-N 2 0 348.491 2.257 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000417162411 466793868 /nfs/dbraw/zinc/79/38/68/466793868.db2.gz RIVPSUGAGZVOHX-CQSZACIVSA-N 2 0 330.476 2.380 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)c1ccc(F)cc1 ZINC000662678669 472200650 /nfs/dbraw/zinc/20/06/50/472200650.db2.gz IOLZQWJQWILVRW-CYBMUJFWSA-N 2 0 334.395 2.040 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417656895 466900553 /nfs/dbraw/zinc/90/05/53/466900553.db2.gz VMTAHAJDIRITIW-RBUKOAKNSA-N 2 0 342.487 2.187 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000418586111 467132273 /nfs/dbraw/zinc/13/22/73/467132273.db2.gz ZJMRCENHAVONGR-IEBWSBKVSA-N 2 0 346.519 2.190 10 0 EEAERP C[NH+](C)CCCOC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431862849 467199379 /nfs/dbraw/zinc/19/93/79/467199379.db2.gz ZKVVMZBULDCVFG-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378165863 467217451 /nfs/dbraw/zinc/21/74/51/467217451.db2.gz KVNDBJLPPMXMIV-WLRLJWMZSA-N 2 0 343.515 2.350 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000428472050 467236996 /nfs/dbraw/zinc/23/69/96/467236996.db2.gz DZFRDQACOKDTJG-YLJYHZDGSA-N 2 0 331.504 2.421 10 0 EEAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433322241 467317873 /nfs/dbraw/zinc/31/78/73/467317873.db2.gz ZOAOWMNDGDLESI-NSHDSACASA-N 2 0 337.411 2.488 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000452378847 467366915 /nfs/dbraw/zinc/36/69/15/467366915.db2.gz PRIKWHYBIXKBDM-IBGZPJMESA-N 2 0 347.503 2.105 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380143089 467371382 /nfs/dbraw/zinc/37/13/82/467371382.db2.gz GUQSFMHJJBLULL-MJGOQNOKSA-N 2 0 329.488 2.499 10 0 EEAERP O=C(CC[NH2+]C1CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390932372 467417491 /nfs/dbraw/zinc/41/74/91/467417491.db2.gz FFGHBPSRJNORQE-YQQQUEKLSA-N 2 0 327.472 2.440 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000397499339 467442550 /nfs/dbraw/zinc/44/25/50/467442550.db2.gz FKHNNDSIJLRVTI-IEBWSBKVSA-N 3 0 331.504 2.086 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)[C@H](C)C1 ZINC000436296142 467527751 /nfs/dbraw/zinc/52/77/51/467527751.db2.gz IRCPDLVUUUEIAF-BDXSIMOUSA-N 2 0 340.508 2.445 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCOC[C@H]2C)CC1 ZINC000449222254 467624221 /nfs/dbraw/zinc/62/42/21/467624221.db2.gz HTSGUJLIJBSLNW-RTBURBONSA-N 2 0 345.531 2.392 10 0 EEAERP CCc1cc(CCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000450640950 467884434 /nfs/dbraw/zinc/88/44/34/467884434.db2.gz HKJKHXPKPZYUQD-QFBILLFUSA-N 2 0 334.508 2.127 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000529673872 467894065 /nfs/dbraw/zinc/89/40/65/467894065.db2.gz FPOYOGFCZRYVOG-SAHWJRBASA-N 2 0 330.457 2.061 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530211035 467963626 /nfs/dbraw/zinc/96/36/26/467963626.db2.gz LVBRGHBCTRNHJL-QMTHXVAHSA-N 2 0 327.354 2.499 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1F ZINC000530244221 467967811 /nfs/dbraw/zinc/96/78/11/467967811.db2.gz ZRKJQBXJSJNPHS-INIZCTEOSA-N 2 0 349.450 2.245 10 0 EEAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000461792056 467969743 /nfs/dbraw/zinc/96/97/43/467969743.db2.gz XZYQHUNLJBIJCR-ULQDDVLXSA-N 2 0 326.529 2.479 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493916644 468005474 /nfs/dbraw/zinc/00/54/74/468005474.db2.gz LTZACJSGQXGUDZ-KKXNLOMOSA-N 2 0 331.504 2.350 10 0 EEAERP CC[N@H+](CCNC(=O)Cn1cnc2c1CCCC2)CCC(F)(F)F ZINC000578593285 468220890 /nfs/dbraw/zinc/22/08/90/468220890.db2.gz ZTYZHZVGDIZXCS-UHFFFAOYSA-N 2 0 346.397 2.152 10 0 EEAERP O=C(C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1)N1CCCC1 ZINC000570402991 468634786 /nfs/dbraw/zinc/63/47/86/468634786.db2.gz LQEXLSZKVRKMPU-UHFFFAOYSA-N 2 0 327.472 2.167 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000560942774 468855269 /nfs/dbraw/zinc/85/52/69/468855269.db2.gz DJMMOEKCDOVJCN-IYBDPMFKSA-N 2 0 346.475 2.090 10 0 EEAERP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000584519048 468890242 /nfs/dbraw/zinc/89/02/42/468890242.db2.gz SJPPPHWVYZCDGC-VQIMIIECSA-N 2 0 344.503 2.470 10 0 EEAERP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573005063 469040957 /nfs/dbraw/zinc/04/09/57/469040957.db2.gz AWKJOKQRTNQHKB-HRCADAONSA-N 2 0 338.455 2.493 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000625837897 469405981 /nfs/dbraw/zinc/40/59/81/469405981.db2.gz PPPAOEBFLNHMRO-JKSUJKDBSA-N 2 0 345.491 2.091 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000616982646 469558230 /nfs/dbraw/zinc/55/82/30/469558230.db2.gz MFRUUJNVUYLWEN-HOTGVXAUSA-N 2 0 334.464 2.200 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629530896 469573028 /nfs/dbraw/zinc/57/30/28/469573028.db2.gz UNNBIYNSKLRYAS-VAMGGRTRSA-N 3 0 331.504 2.255 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617111139 469596203 /nfs/dbraw/zinc/59/62/03/469596203.db2.gz JFNZEHKDXPOSAX-OAHLLOKOSA-N 2 0 339.524 2.160 10 0 EEAERP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416586 469650215 /nfs/dbraw/zinc/65/02/15/469650215.db2.gz ACKJHWLFYXRTCP-SJORKVTESA-N 2 0 331.508 2.470 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000626916431 469753481 /nfs/dbraw/zinc/75/34/81/469753481.db2.gz CXZNQUBCSZZHFY-RCCFBDPRSA-N 2 0 330.476 2.263 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626925990 469757141 /nfs/dbraw/zinc/75/71/41/469757141.db2.gz USBLKZDZXHJQDO-CRAIPNDOSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979047 469775676 /nfs/dbraw/zinc/77/56/76/469775676.db2.gz OMACSAMBELZONN-CGTJXYLNSA-N 2 0 330.476 2.263 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000626984537 469778236 /nfs/dbraw/zinc/77/82/36/469778236.db2.gz HWERLJGCVUMIBS-AYDFFVQHSA-N 2 0 336.505 2.181 10 0 EEAERP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623853331 469779837 /nfs/dbraw/zinc/77/98/37/469779837.db2.gz UOTTUQYOKLTMDS-ICSRJNTNSA-N 2 0 331.504 2.351 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000608352101 469805672 /nfs/dbraw/zinc/80/56/72/469805672.db2.gz UGSSUCOAZLJUMA-KRWDZBQOSA-N 2 0 344.503 2.043 10 0 EEAERP CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617924282 469839779 /nfs/dbraw/zinc/83/97/79/469839779.db2.gz RLLCCMFCURPHIH-SJORKVTESA-N 2 0 339.549 2.147 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C[NH2+]1 ZINC000627197533 469841125 /nfs/dbraw/zinc/84/11/25/469841125.db2.gz MSPLZIUSGVJWFR-KZNAEPCWSA-N 2 0 336.524 2.425 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)[C@@H](C)C1 ZINC000624102422 469841280 /nfs/dbraw/zinc/84/12/80/469841280.db2.gz VWJGEOQFYIDGNH-LSDHHAIUSA-N 2 0 334.451 2.263 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199678 469841374 /nfs/dbraw/zinc/84/13/74/469841374.db2.gz AXWASLUJORUYOU-AOIWGVFYSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NCCN2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656993 469854886 /nfs/dbraw/zinc/85/48/86/469854886.db2.gz SCFNYZOQFAAKKL-CRAIPNDOSA-N 2 0 330.476 2.126 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624177182 469865685 /nfs/dbraw/zinc/86/56/85/469865685.db2.gz ZINWIAHNWSGRGI-BURNTYAHSA-N 2 0 343.515 2.350 10 0 EEAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000614329806 469910717 /nfs/dbraw/zinc/91/07/17/469910717.db2.gz JCUNRRKUGOTPFN-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000630845944 470010477 /nfs/dbraw/zinc/01/04/77/470010477.db2.gz GLNHDYUDNSJULW-ZWKOTPCHSA-N 2 0 335.467 2.446 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631042171 470054045 /nfs/dbraw/zinc/05/40/45/470054045.db2.gz HFOFGPBCFBVGHE-KURKYZTESA-N 2 0 349.523 2.162 10 0 EEAERP CN(c1ccccc1C[NH2+]CC[C@@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000631215803 470095579 /nfs/dbraw/zinc/09/55/79/470095579.db2.gz AKDNTGHQBPELHH-QGZVFWFLSA-N 2 0 341.446 2.323 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1F ZINC000625287604 470112963 /nfs/dbraw/zinc/11/29/63/470112963.db2.gz LCRFWEGZMWPPMK-UHFFFAOYSA-N 2 0 331.382 2.329 10 0 EEAERP C[N@H+](CCNC(=O)c1cccn1C1CC[NH2+]CC1)C1CCCCC1 ZINC000645774209 470412790 /nfs/dbraw/zinc/41/27/90/470412790.db2.gz AVZBCPGKXISHKW-UHFFFAOYSA-N 2 0 332.492 2.407 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000649100919 470463373 /nfs/dbraw/zinc/46/33/73/470463373.db2.gz DMDJQRCMORNLAI-QYZOEREBSA-N 2 0 329.488 2.322 10 0 EEAERP C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)c2c[nH]cn2)[C@H](c2ccccc2)C1 ZINC000649104050 470464395 /nfs/dbraw/zinc/46/43/95/470464395.db2.gz XAAKOYKRZRWCLP-CVEARBPZSA-N 2 0 326.444 2.149 10 0 EEAERP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000643530565 470715502 /nfs/dbraw/zinc/71/55/02/470715502.db2.gz PUCFAWMXDLHBHS-IAGOWNOFSA-N 2 0 341.421 2.360 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc3c2OCCO3)C1 ZINC000650722474 470950875 /nfs/dbraw/zinc/95/08/75/470950875.db2.gz UTTGXNBDQISFPB-SOLBZPMBSA-N 2 0 332.444 2.319 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744288 470957306 /nfs/dbraw/zinc/95/73/06/470957306.db2.gz KJPQYVLKMOCOSQ-ZDUSSCGKSA-N 2 0 325.478 2.228 10 0 EEAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000654522515 471052821 /nfs/dbraw/zinc/05/28/21/471052821.db2.gz BTQWIZDKLKXJAN-NBOOPKSLSA-N 2 0 336.524 2.279 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2ccnn2CC2CC2)(N2CCCCC2)CC1 ZINC000657376368 471118208 /nfs/dbraw/zinc/11/82/08/471118208.db2.gz DQBNDPXLKOLONC-UHFFFAOYSA-N 2 0 345.535 2.333 10 0 EEAERP CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657594675 471178749 /nfs/dbraw/zinc/17/87/49/471178749.db2.gz KGYPZELESWOPCS-IBGZPJMESA-N 2 0 328.460 2.150 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)CCO1 ZINC000648425179 471200400 /nfs/dbraw/zinc/20/04/00/471200400.db2.gz WGWWVRZTVQDMTN-ZWKOTPCHSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000654851976 471203157 /nfs/dbraw/zinc/20/31/57/471203157.db2.gz NSOXJSLDWSOWJY-QZTJIDSGSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000641247941 471251945 /nfs/dbraw/zinc/25/19/45/471251945.db2.gz SANKUMMMOJSNKJ-AEFFLSMTSA-N 2 0 336.524 2.282 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000652184202 471252263 /nfs/dbraw/zinc/25/22/63/471252263.db2.gz ZPGGVFAVPHHHRI-UHFFFAOYSA-N 2 0 330.476 2.080 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000652185799 471252723 /nfs/dbraw/zinc/25/27/23/471252723.db2.gz UQWZBERUBQNOFQ-QGZVFWFLSA-N 2 0 332.492 2.326 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000652288425 471267387 /nfs/dbraw/zinc/26/73/87/471267387.db2.gz IPJQOQPGIUEFDV-HNNXBMFYSA-N 2 0 332.492 2.278 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@]3(O)CCCOC3)C2)s1 ZINC000660495668 471366084 /nfs/dbraw/zinc/36/60/84/471366084.db2.gz ANPTVCUDJJSKIR-WMZOPIPTSA-N 2 0 338.517 2.352 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655697014 471446005 /nfs/dbraw/zinc/44/60/05/471446005.db2.gz MHJBKXPLINGCDY-SFTDATJTSA-N 2 0 345.531 2.392 10 0 EEAERP C[C@@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(C)(C)C[NH+](C)C ZINC000659039598 471482351 /nfs/dbraw/zinc/48/23/51/471482351.db2.gz LTHSMQNSKBXZEN-PBHICJAKSA-N 2 0 348.491 2.445 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669575135 471563703 /nfs/dbraw/zinc/56/37/03/471563703.db2.gz ISNGMPDOVXLHNM-FKAKGIQBSA-N 2 0 348.535 2.425 10 0 EEAERP O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659430151 471622700 /nfs/dbraw/zinc/62/27/00/471622700.db2.gz BYOUYMYAPQNWCZ-SFHVURJKSA-N 2 0 336.524 2.284 10 0 EEAERP Cc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000656211775 471635265 /nfs/dbraw/zinc/63/52/65/471635265.db2.gz KKVZLEPKAKIOPA-HMQPTBHHSA-N 3 0 346.523 2.289 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000661350081 471724856 /nfs/dbraw/zinc/72/48/56/471724856.db2.gz BSTGGBCSAWCRHV-UHFFFAOYSA-N 2 0 338.540 2.386 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000664478077 471764283 /nfs/dbraw/zinc/76/42/83/471764283.db2.gz DRHRMFILDBELJV-GOSISDBHSA-N 2 0 348.491 2.323 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000661996957 471950917 /nfs/dbraw/zinc/95/09/17/471950917.db2.gz LVKOBBAXNVGEOS-HXUWFJFHSA-N 2 0 344.499 2.370 10 0 EEAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668012682 471978069 /nfs/dbraw/zinc/97/80/69/471978069.db2.gz HZACQIGMPJAVMV-WOJBJXKFSA-N 2 0 343.515 2.494 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000665259358 471982658 /nfs/dbraw/zinc/98/26/58/471982658.db2.gz CUXUCGYPWSITFU-FDARSICLSA-N 2 0 347.478 2.352 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000665285776 471989923 /nfs/dbraw/zinc/98/99/23/471989923.db2.gz WTELTESPDNHFNF-SFHVURJKSA-N 2 0 333.451 2.393 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000665289399 471991292 /nfs/dbraw/zinc/99/12/92/471991292.db2.gz NEWCWQJNYDOQCY-QGZVFWFLSA-N 2 0 346.519 2.373 10 0 EEAERP C[C@H](c1ccccn1)N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665640563 472120864 /nfs/dbraw/zinc/12/08/64/472120864.db2.gz YEQNBUBRGGMKAZ-JKSUJKDBSA-N 2 0 335.496 2.056 10 0 EEAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000668476338 472138484 /nfs/dbraw/zinc/13/84/84/472138484.db2.gz CZGZBTKFTIRTRN-IBGZPJMESA-N 2 0 343.515 2.494 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000662685221 472206019 /nfs/dbraw/zinc/20/60/19/472206019.db2.gz QFHWATYVOITRHJ-HNNXBMFYSA-N 2 0 342.443 2.263 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662788233 472252347 /nfs/dbraw/zinc/25/23/47/472252347.db2.gz LEGBYIHYUUSNOF-MCIONIFRSA-N 2 0 334.464 2.346 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662788232 472252430 /nfs/dbraw/zinc/25/24/30/472252430.db2.gz LEGBYIHYUUSNOF-HZSPNIEDSA-N 2 0 334.464 2.346 10 0 EEAERP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000662868328 472283971 /nfs/dbraw/zinc/28/39/71/472283971.db2.gz CSLRPKHCYOPQHK-ZTFGCOKTSA-N 2 0 333.476 2.035 10 0 EEAERP OC[C@]1(N[C@H]2CC[NH+]3CCC[C@@H]3C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000679043704 485571820 /nfs/dbraw/zinc/57/18/20/485571820.db2.gz JKXLFKGVRLWTIX-HBMCJLEFSA-N 2 0 343.515 2.230 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000397596914 485673672 /nfs/dbraw/zinc/67/36/72/485673672.db2.gz QJJRGEKKLFPSOQ-GOSISDBHSA-N 3 0 345.531 2.333 10 0 EEAERP Cn1nc2c(c1CNc1c[nH+]ccc1N1CC[NH+](C)CC1)CCCC2 ZINC000631105815 485770916 /nfs/dbraw/zinc/77/09/16/485770916.db2.gz KQHKCAWVQFRSJG-UHFFFAOYSA-N 2 0 340.475 2.058 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000675624583 486032477 /nfs/dbraw/zinc/03/24/77/486032477.db2.gz WTMBCRFNTMGOIR-PBHICJAKSA-N 2 0 342.447 2.461 10 0 EEAERP c1ncn2c1CC[C@@H](Nc1ncnc3c1cnn3-c1ccccc1)C2 ZINC000672324980 486102085 /nfs/dbraw/zinc/10/20/85/486102085.db2.gz XQFPTKVPQMFFGJ-CYBMUJFWSA-N 2 0 331.383 2.439 10 0 EEAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn3cccc(F)c3n2)C[C@@H](C)O1 ZINC000677320384 486413772 /nfs/dbraw/zinc/41/37/72/486413772.db2.gz XTIHLEIBCYPXTI-HUUCEWRRSA-N 2 0 334.439 2.452 10 0 EEAERP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000678588562 486646275 /nfs/dbraw/zinc/64/62/75/486646275.db2.gz QBPJGXINLIETFX-SJLPKXTDSA-N 2 0 327.476 2.341 10 0 EEAERP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000678588560 486646301 /nfs/dbraw/zinc/64/63/01/486646301.db2.gz QBPJGXINLIETFX-FUHWJXTLSA-N 2 0 327.476 2.341 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000415956145 528355010 /nfs/dbraw/zinc/35/50/10/528355010.db2.gz NOIYIDGBMKVWAU-QGZVFWFLSA-N 2 0 348.491 2.155 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451353310 535198458 /nfs/dbraw/zinc/19/84/58/535198458.db2.gz NVBFLTOBQIYROR-XUVXKRRUSA-N 2 0 337.552 2.418 10 0 EEAERP COCC[N@H+]1[C@H](C)CN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000160993106 676641205 /nfs/dbraw/zinc/64/12/05/676641205.db2.gz FRVTWXHQDFIWSN-CALCHBBNSA-N 2 0 337.483 2.299 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000897240404 686309975 /nfs/dbraw/zinc/30/99/75/686309975.db2.gz HIJZUXGSVWJGCY-DLBZAZTESA-N 2 0 326.444 2.488 10 0 EEAERP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[NH2+][C@H]([C@@H]5CCCO5)C4)n3)cc12 ZINC000904707190 694455272 /nfs/dbraw/zinc/45/52/72/694455272.db2.gz FGAURLWGEAHPSC-KBMXLJTQSA-N 2 0 339.399 2.399 10 0 EEAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924626992 692900845 /nfs/dbraw/zinc/90/08/45/692900845.db2.gz CDJNMVCAJJOGAV-IEBWSBKVSA-N 2 0 330.520 2.408 10 0 EEAERP C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001485503405 1191818267 /nfs/dbraw/zinc/81/82/67/1191818267.db2.gz MKZXQRAXIDHIHT-GJZGRUSLSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCCCF)CC2(C)C)C1 ZINC001485575410 1191852378 /nfs/dbraw/zinc/85/23/78/1191852378.db2.gz LVAQFYLRLXZMTQ-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485793001 1191955471 /nfs/dbraw/zinc/95/54/71/1191955471.db2.gz UMGUQLSVCDEVDV-LSDHHAIUSA-N 2 0 338.521 2.024 10 0 EEAERP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC[C@@H]1CCCCO1 ZINC001480863686 1176075782 /nfs/dbraw/zinc/07/57/82/1176075782.db2.gz DPDFNRBHPSIQOG-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCC1CCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001670470815 1176816447 /nfs/dbraw/zinc/81/64/47/1176816447.db2.gz ZRISPLSZGCTSMM-MOPGFXCFSA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCCF ZINC001670581307 1176924590 /nfs/dbraw/zinc/92/45/90/1176924590.db2.gz GOKSJCCXMGWHDC-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC001266732439 1177319090 /nfs/dbraw/zinc/31/90/90/1177319090.db2.gz IEIYSUDFBMZUMM-IBGZPJMESA-N 2 0 342.487 2.369 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCOc1ccccc1)[NH+](C)C ZINC001266877446 1177685972 /nfs/dbraw/zinc/68/59/72/1177685972.db2.gz DXYOEYHGTQJUKG-HKUYNNGSSA-N 2 0 347.503 2.376 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1cccc(F)c1 ZINC001267123686 1178291270 /nfs/dbraw/zinc/29/12/70/1178291270.db2.gz WLCNWUFDRCOVAW-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP CN(CC[NH2+]CCCc1c(F)cccc1F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354976 1178814892 /nfs/dbraw/zinc/81/48/92/1178814892.db2.gz DCRPRDMWWGHNHA-QGZVFWFLSA-N 2 0 339.430 2.040 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CC=C(Cl)Cl)cn1 ZINC001267390905 1178956634 /nfs/dbraw/zinc/95/66/34/1178956634.db2.gz XAHISFALTSIEKS-UHFFFAOYSA-N 2 0 333.263 2.294 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267418350 1178984320 /nfs/dbraw/zinc/98/43/20/1178984320.db2.gz GOTVBSCJISIOIA-WFASDCNBSA-N 2 0 338.521 2.038 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOc1ccc(C)cc1)[NH+](C)C ZINC001481063702 1179665406 /nfs/dbraw/zinc/66/54/06/1179665406.db2.gz FENHGZICIYITAT-IEBWSBKVSA-N 2 0 347.503 2.295 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN1Cc1c(F)cccc1F ZINC001481068602 1179673175 /nfs/dbraw/zinc/67/31/75/1179673175.db2.gz AVCUSNPZDXFTTO-AWEZNQCLSA-N 2 0 337.414 2.141 10 0 EEAERP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109001 1179758378 /nfs/dbraw/zinc/75/83/78/1179758378.db2.gz JHWJCZPVPSCBSM-KBPBESRZSA-N 2 0 339.430 2.416 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H]1CCC(F)(F)C1 ZINC001481154851 1179941866 /nfs/dbraw/zinc/94/18/66/1179941866.db2.gz YIRGTOVXVKHADL-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001481246797 1180441032 /nfs/dbraw/zinc/44/10/32/1180441032.db2.gz ZILKKHRYQJVKTK-HKUYNNGSSA-N 2 0 345.487 2.260 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001267776114 1180502223 /nfs/dbraw/zinc/50/22/23/1180502223.db2.gz FEZROFAIAUEEBY-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001481271796 1180582530 /nfs/dbraw/zinc/58/25/30/1180582530.db2.gz JOAJWDSFTAILSI-JXFKEZNVSA-N 2 0 343.515 2.454 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ocnc2C)CC1)[NH+](C)C ZINC001267916227 1180759746 /nfs/dbraw/zinc/75/97/46/1180759746.db2.gz ZQNPGJXFBKESNR-INIZCTEOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481452723 1181390454 /nfs/dbraw/zinc/39/04/54/1181390454.db2.gz XCXBKXDXXONLSK-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CCCCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481491632 1181558045 /nfs/dbraw/zinc/55/80/45/1181558045.db2.gz PQFUARYSDHBEFY-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001268122332 1181770727 /nfs/dbraw/zinc/77/07/27/1181770727.db2.gz HIPVZCZFLKVYIN-WBVHZDCISA-N 2 0 339.499 2.485 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001268162156 1181874487 /nfs/dbraw/zinc/87/44/87/1181874487.db2.gz JFFRPCZFWQHPPY-LSDHHAIUSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001268162495 1181878614 /nfs/dbraw/zinc/87/86/14/1181878614.db2.gz JAMJOOXABONWNY-RDJZCZTQSA-N 2 0 348.491 2.186 10 0 EEAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481670762 1182183996 /nfs/dbraw/zinc/18/39/96/1182183996.db2.gz GXTNSGJSUOIPSJ-BCEYDMKGSA-N 2 0 331.504 2.360 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccn1 ZINC001268377714 1182395298 /nfs/dbraw/zinc/39/52/98/1182395298.db2.gz MOLQRZYWSCWOKD-FUHWJXTLSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2c(o1)CCCC2)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379933 1182405900 /nfs/dbraw/zinc/40/59/00/1182405900.db2.gz WJOBRQZJSANHEU-ZBFHGGJFSA-N 2 0 348.491 2.022 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ncccc2C)C1 ZINC001268394426 1182459865 /nfs/dbraw/zinc/45/98/65/1182459865.db2.gz VTFJDOMHAHUNTM-ROUUACIJSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCCF)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960222 1183041732 /nfs/dbraw/zinc/04/17/32/1183041732.db2.gz CHUWWRCUACRCFB-QAPCUYQASA-N 2 0 327.488 2.343 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001482004030 1183121195 /nfs/dbraw/zinc/12/11/95/1183121195.db2.gz NIUPVNVSMDIRNO-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1ccnc1)CC2 ZINC001482070248 1183295005 /nfs/dbraw/zinc/29/50/05/1183295005.db2.gz FTGQTERGVDVUAM-UHFFFAOYSA-N 2 0 348.491 2.013 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001482167811 1183495568 /nfs/dbraw/zinc/49/55/68/1183495568.db2.gz JACSNRJRZPDEFJ-MRXNPFEDSA-N 2 0 329.488 2.113 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001268625777 1183548491 /nfs/dbraw/zinc/54/84/91/1183548491.db2.gz KYTWJOOJJDPAMA-XQJDBVBESA-N 2 0 339.842 2.193 10 0 EEAERP C[C@H](C[NH2+]CCCCC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268651499 1183580147 /nfs/dbraw/zinc/58/01/47/1183580147.db2.gz UCAGWDGKUOMLQK-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268791109 1183707743 /nfs/dbraw/zinc/70/77/43/1183707743.db2.gz KXKVTHMKLLFPLH-QGZVFWFLSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001268877052 1183785505 /nfs/dbraw/zinc/78/55/05/1183785505.db2.gz UDTPWHXKGAJIMN-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268946312 1183851544 /nfs/dbraw/zinc/85/15/44/1183851544.db2.gz MSXZJOSERVCFGT-SFHVURJKSA-N 2 0 340.471 2.125 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+]1CCCC1 ZINC001269149343 1184003521 /nfs/dbraw/zinc/00/35/21/1184003521.db2.gz PYOPOTFYYOYKRY-AUPUMLSVSA-N 2 0 327.900 2.344 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269333908 1184181607 /nfs/dbraw/zinc/18/16/07/1184181607.db2.gz ZDNKGVAWGHCWSX-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC1(C[NH2+]CCCF)CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001269558739 1184388828 /nfs/dbraw/zinc/38/88/28/1184388828.db2.gz GDOSODCWGVYBAI-HOTGVXAUSA-N 2 0 325.472 2.382 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001269711527 1184543863 /nfs/dbraw/zinc/54/38/63/1184543863.db2.gz KVOOTVLUSHLGKK-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2ncc(C)o2)CC1 ZINC001269934882 1184727701 /nfs/dbraw/zinc/72/77/01/1184727701.db2.gz DQMYSOGYSCSPGQ-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cnccc2C)CC1)[NH+](C)C ZINC001269935384 1184728469 /nfs/dbraw/zinc/72/84/69/1184728469.db2.gz OSLNEXQDUYXPOP-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CCc2cccs2)CC1 ZINC001270121684 1184862755 /nfs/dbraw/zinc/86/27/55/1184862755.db2.gz NZVHAEDPOCGHKV-HNNXBMFYSA-N 2 0 335.517 2.213 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCOc1ccccc1 ZINC001270444471 1185103084 /nfs/dbraw/zinc/10/30/84/1185103084.db2.gz WVUJKOGXRGAIQL-QGZVFWFLSA-N 2 0 345.487 2.036 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364261 1185518446 /nfs/dbraw/zinc/51/84/46/1185518446.db2.gz GBYZBZKXINPIJP-HOCLYGCPSA-N 2 0 337.895 2.271 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CCF)C2CCCCC2)CC1 ZINC001271346260 1186152074 /nfs/dbraw/zinc/15/20/74/1186152074.db2.gz BPHHUMPZYBCOKB-KRWDZBQOSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccon2)CC[N@@H+]1C ZINC001271567268 1186316900 /nfs/dbraw/zinc/31/69/00/1186316900.db2.gz WRNDPAKLMFEPQV-XYJFISCASA-N 2 0 348.491 2.266 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001271577979 1186320126 /nfs/dbraw/zinc/32/01/26/1186320126.db2.gz YUKDHVDFIOCYPF-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271686068 1186370916 /nfs/dbraw/zinc/37/09/16/1186370916.db2.gz WHKKIAJOMHRCRW-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1N(C)C ZINC001482518628 1186443417 /nfs/dbraw/zinc/44/34/17/1186443417.db2.gz QPNDAUQOIGFOOF-MJGOQNOKSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@H]1C[C@@H](C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001482617707 1187426814 /nfs/dbraw/zinc/42/68/14/1187426814.db2.gz PJPBXSGPCYWLQT-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]32)oc1C ZINC001482664403 1187518998 /nfs/dbraw/zinc/51/89/98/1187518998.db2.gz FKBYMXRWZNBWSD-SJORKVTESA-N 2 0 348.491 2.054 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)n1 ZINC001272781843 1193495922 /nfs/dbraw/zinc/49/59/22/1193495922.db2.gz KPKKKBWSEXQVPI-HNAYVOBHSA-N 2 0 344.503 2.025 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001482832783 1187752612 /nfs/dbraw/zinc/75/26/12/1187752612.db2.gz XHWQSFVTUYXBOA-APWZRJJASA-N 2 0 347.503 2.036 10 0 EEAERP C[C@@H](CC[NH2+]Cc1noc2c1CCCC2)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840742 1187760315 /nfs/dbraw/zinc/76/03/15/1187760315.db2.gz ZQNORVVGLMSRNM-AWEZNQCLSA-N 2 0 348.491 2.022 10 0 EEAERP C[C@H](CC[NH2+]CCOC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482861061 1187774664 /nfs/dbraw/zinc/77/46/64/1187774664.db2.gz RHSPYXUZYXYABR-SJLPKXTDSA-N 2 0 339.524 2.304 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482950078 1187890131 /nfs/dbraw/zinc/89/01/31/1187890131.db2.gz DZPLRRVJOBLNRU-UHFFFAOYSA-N 2 0 340.537 2.368 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C2CCCCC2)cc(Cl)n1 ZINC000841848560 1187993798 /nfs/dbraw/zinc/99/37/98/1187993798.db2.gz MCQKCDAMMXFBIE-HUUCEWRRSA-N 2 0 338.883 2.457 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCC1CCOCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001483022928 1188012356 /nfs/dbraw/zinc/01/23/56/1188012356.db2.gz IODHTFRCUHPSDR-YJZIAQIGSA-N 2 0 349.519 2.082 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CCCCC1)[C@H]1CCn2ccnc2C1 ZINC001483028418 1188039401 /nfs/dbraw/zinc/03/94/01/1188039401.db2.gz GMVSESFOACWZSU-CHYADLBTSA-N 2 0 330.476 2.288 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCOCC)C2 ZINC001671044381 1193552596 /nfs/dbraw/zinc/55/25/96/1193552596.db2.gz GFPGOOAFCCSOKI-IBGZPJMESA-N 2 0 339.524 2.069 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCc2ccccc2Cl)CC1 ZINC001483055435 1188328874 /nfs/dbraw/zinc/32/88/74/1188328874.db2.gz YNQMCWHDRNYNPM-SNAWJCMRSA-N 2 0 349.906 2.486 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001483082597 1188445055 /nfs/dbraw/zinc/44/50/55/1188445055.db2.gz SLJMGWDKTORWDT-MMBVMTPSSA-N 2 0 345.462 2.417 10 0 EEAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001483083932 1188446151 /nfs/dbraw/zinc/44/61/51/1188446151.db2.gz SVCLMLJFEFCHTR-KJPDOMRESA-N 2 0 325.403 2.067 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cccc(C(F)F)c1 ZINC001483093147 1188460998 /nfs/dbraw/zinc/46/09/98/1188460998.db2.gz NTBXIGGCHTUMGR-OWOJBTEDSA-N 2 0 337.414 2.482 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483129435 1188612231 /nfs/dbraw/zinc/61/22/31/1188612231.db2.gz UDDCJWPWYOCJAN-KDOFPFPSSA-N 2 0 340.471 2.104 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001483166673 1188993120 /nfs/dbraw/zinc/99/31/20/1188993120.db2.gz NFSUNPPWBIAIRO-DLBZAZTESA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001483172268 1189024156 /nfs/dbraw/zinc/02/41/56/1189024156.db2.gz LJLOTWDAVUCGNY-UKRRQHHQSA-N 2 0 331.451 2.389 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001485954910 1193647889 /nfs/dbraw/zinc/64/78/89/1193647889.db2.gz AUCMCTKLGFEIDS-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP CCN1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC2CCCCCC2)C1 ZINC001409685951 1190186688 /nfs/dbraw/zinc/18/66/88/1190186688.db2.gz AUPBSNUVUBDQPN-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001486091472 1193678915 /nfs/dbraw/zinc/67/89/15/1193678915.db2.gz SIKXALOTCMOYCI-DOTOQJQBSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)[C@H]1C ZINC001486092985 1193679193 /nfs/dbraw/zinc/67/91/93/1193679193.db2.gz JILUINVOKQNOFX-UKRRQHHQSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001483471202 1190493695 /nfs/dbraw/zinc/49/36/95/1190493695.db2.gz GSNISWSZONSYNI-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC001483512105 1190525497 /nfs/dbraw/zinc/52/54/97/1190525497.db2.gz OZUGQCUSKZPYNU-CALCHBBNSA-N 2 0 349.523 2.275 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC=C(Cl)Cl)C2CC2)CCC1 ZINC001483566397 1190555815 /nfs/dbraw/zinc/55/58/15/1190555815.db2.gz OXIYBGPOPSJUJS-LBPRGKRZSA-N 2 0 334.291 2.274 10 0 EEAERP Cc1nc(CNC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C2CC2)co1 ZINC001483569938 1190558995 /nfs/dbraw/zinc/55/89/95/1190558995.db2.gz FNQFERNLOPBJAR-ROUUACIJSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591563 1190574762 /nfs/dbraw/zinc/57/47/62/1190574762.db2.gz FKEOMQGOLVJYOG-KBXCAEBGSA-N 2 0 348.491 2.232 10 0 EEAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001486120251 1193687632 /nfs/dbraw/zinc/68/76/32/1193687632.db2.gz MWILSCRXURKREU-GJZGRUSLSA-N 2 0 327.432 2.260 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001483620807 1190602829 /nfs/dbraw/zinc/60/28/29/1190602829.db2.gz MSMWLZVSQKXAFQ-FUHWJXTLSA-N 2 0 335.467 2.494 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409819973 1190652017 /nfs/dbraw/zinc/65/20/17/1190652017.db2.gz AXBIIZDNURQAQN-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(CN2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)c(C)n1 ZINC001483710226 1190792681 /nfs/dbraw/zinc/79/26/81/1190792681.db2.gz WSPIAUFJABRZAN-IBGZPJMESA-N 2 0 344.503 2.265 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001272545753 1190874751 /nfs/dbraw/zinc/87/47/51/1190874751.db2.gz OXCGWJBVPBUCFO-QGZVFWFLSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001483745268 1190898314 /nfs/dbraw/zinc/89/83/14/1190898314.db2.gz BZANWNSZKNHXTE-GOSISDBHSA-N 2 0 340.471 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001483802853 1191044620 /nfs/dbraw/zinc/04/46/20/1191044620.db2.gz VWOCSOBSVPSKAW-IBBQAADRSA-N 2 0 327.900 2.394 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1 ZINC001484007618 1191152441 /nfs/dbraw/zinc/15/24/41/1191152441.db2.gz YTUDBGIRBKPJHZ-ZLAMNEIASA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484174425 1191259964 /nfs/dbraw/zinc/25/99/64/1191259964.db2.gz PQEFHVWEHPPJNZ-NVXWUHKLSA-N 2 0 325.472 2.049 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCOC2CCC2)C3)CCC1 ZINC001484316574 1191300735 /nfs/dbraw/zinc/30/07/35/1191300735.db2.gz QAOPMEIDVUEYPA-BBWFWOEESA-N 2 0 349.519 2.009 10 0 EEAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCc1cccs1 ZINC001484374806 1191322086 /nfs/dbraw/zinc/32/20/86/1191322086.db2.gz BGBQFTMGHHVHGU-JKSUJKDBSA-N 2 0 349.544 2.317 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC2)c(C)n1 ZINC001484653347 1191457204 /nfs/dbraw/zinc/45/72/04/1191457204.db2.gz PBFAGGFZGYXKPW-HNNXBMFYSA-N 2 0 344.503 2.169 10 0 EEAERP Cc1ncc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)o1 ZINC001484942537 1191587614 /nfs/dbraw/zinc/58/76/14/1191587614.db2.gz GHOVNHNDZRBZAH-INIZCTEOSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CCc2ccccc2)C1 ZINC001485069273 1191636930 /nfs/dbraw/zinc/63/69/30/1191636930.db2.gz LJVIILOMURGWGF-UYAOXDASSA-N 2 0 343.515 2.494 10 0 EEAERP CCc1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218466 1191690055 /nfs/dbraw/zinc/69/00/55/1191690055.db2.gz YWLODKFEXIKJIR-HZPDHXFCSA-N 2 0 329.488 2.328 10 0 EEAERP Cc1cccnc1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485300833 1191725993 /nfs/dbraw/zinc/72/59/93/1191725993.db2.gz RUQRKEAQUVRDKK-SJLPKXTDSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC(F)(F)CC1 ZINC001485382707 1191768305 /nfs/dbraw/zinc/76/83/05/1191768305.db2.gz IIQSKRKMCTVBSR-UKRRQHHQSA-N 2 0 331.451 2.200 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001486210430 1193750741 /nfs/dbraw/zinc/75/07/41/1193750741.db2.gz LQGHVBRQOKTGGG-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001486214148 1193753537 /nfs/dbraw/zinc/75/35/37/1193753537.db2.gz GDGUIHTVUOIVMC-RPBRJJPOSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)N(CCN(C)[C@@H](C)c1cnccn1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486369208 1193870644 /nfs/dbraw/zinc/87/06/44/1193870644.db2.gz HUKBDBRRCDFGOY-IXDOHACOSA-N 2 0 347.507 2.047 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC[C@@H](C)F)C2)CC1 ZINC001486480122 1193994131 /nfs/dbraw/zinc/99/41/31/1193994131.db2.gz MZLOIHKIUVQMKB-ODIFPOPNSA-N 2 0 327.488 2.434 10 0 EEAERP CCc1onc(C)c1C[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001486515302 1194034471 /nfs/dbraw/zinc/03/44/71/1194034471.db2.gz GKRPODZTYJPINE-KRWDZBQOSA-N 2 0 348.491 2.134 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)co1 ZINC001273205320 1197533191 /nfs/dbraw/zinc/53/31/91/1197533191.db2.gz YRRUKCXCMVDESC-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3nocc3C)C[C@@H]2C1 ZINC001410183777 1197590358 /nfs/dbraw/zinc/59/03/58/1197590358.db2.gz MAGLQKJLUSHMHH-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000872155008 1198061644 /nfs/dbraw/zinc/06/16/44/1198061644.db2.gz JMAKGMJGGYIRBY-HIFRSBDPSA-N 2 0 332.444 2.144 10 0 EEAERP CCC[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872255935 1198113372 /nfs/dbraw/zinc/11/33/72/1198113372.db2.gz OVCMYMBFGPJNCJ-HCXYKTFWSA-N 2 0 343.471 2.437 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cn(C3CC3)cn2)(N2CCCCC2)CC1 ZINC000865477137 1198237862 /nfs/dbraw/zinc/23/78/62/1198237862.db2.gz NEPDVKSPHGXNQW-UHFFFAOYSA-N 2 0 331.508 2.258 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001410998078 1198674751 /nfs/dbraw/zinc/67/47/51/1198674751.db2.gz ANZGVMPUSAIBHS-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C3CC[NH+](C/C=C/Cl)CC3)CC2)C1 ZINC001411258725 1198991792 /nfs/dbraw/zinc/99/17/92/1198991792.db2.gz YMFYDMYZUDMLLW-FTPZRKARSA-N 2 0 339.911 2.442 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000810367292 1199451434 /nfs/dbraw/zinc/45/14/34/1199451434.db2.gz JEEYZMQQIFEQHA-QAPCUYQASA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000825985303 1199986194 /nfs/dbraw/zinc/98/61/94/1199986194.db2.gz GIIYZFYFNRYAND-HNNXBMFYSA-N 2 0 338.883 2.426 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1C[NH+](C)C ZINC000870017631 1200409523 /nfs/dbraw/zinc/40/95/23/1200409523.db2.gz DPFVKFXDAXLLTI-ZIAGYGMSSA-N 2 0 331.451 2.010 10 0 EEAERP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C(C)C)n1 ZINC000870018306 1200409530 /nfs/dbraw/zinc/40/95/30/1200409530.db2.gz YIAVPZBHOIZBHF-IAGOWNOFSA-N 2 0 346.519 2.325 10 0 EEAERP CC(C)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870020292 1200410865 /nfs/dbraw/zinc/41/08/65/1200410865.db2.gz KTONQARHINFWBQ-IAGOWNOFSA-N 2 0 332.492 2.016 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@H]1C[NH+](C)C ZINC000870023873 1200412757 /nfs/dbraw/zinc/41/27/57/1200412757.db2.gz DOHYMBZLZVAIGG-CHWSQXEVSA-N 2 0 341.858 2.291 10 0 EEAERP Cc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C ZINC000870024959 1200414410 /nfs/dbraw/zinc/41/44/10/1200414410.db2.gz XCVQQPYNOIQLJV-RTBURBONSA-N 2 0 331.504 2.044 10 0 EEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870936723 1200966010 /nfs/dbraw/zinc/96/60/10/1200966010.db2.gz CEALZKUVYQOOEJ-KGLIPLIRSA-N 2 0 342.281 2.281 10 0 EEAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866703226 1201584734 /nfs/dbraw/zinc/58/47/34/1201584734.db2.gz GTMPDXOXKNXUMY-IBGZPJMESA-N 2 0 347.459 2.441 10 0 EEAERP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708596 1201586413 /nfs/dbraw/zinc/58/64/13/1201586413.db2.gz OZLNGNQALMRUNH-KSZLIROESA-N 2 0 329.444 2.177 10 0 EEAERP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710623 1201586638 /nfs/dbraw/zinc/58/66/38/1201586638.db2.gz QXSMADZCKXJBFS-BHTHQVBYSA-N 2 0 335.835 2.268 10 0 EEAERP CSC1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[NH+](C)CC1 ZINC000868177316 1201758318 /nfs/dbraw/zinc/75/83/18/1201758318.db2.gz MQAYBMVGRNIGTB-JKSUJKDBSA-N 2 0 348.516 2.450 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1F ZINC001274133268 1204395069 /nfs/dbraw/zinc/39/50/69/1204395069.db2.gz KHIBMGDQDVPHFD-OOFWQKGWSA-N 2 0 333.451 2.115 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001274318225 1204996181 /nfs/dbraw/zinc/99/61/81/1204996181.db2.gz MJFPNTYQJIGTQK-WHLIDYPQSA-N 2 0 345.462 2.417 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)NC/C=C\C[NH2+]CCC2CC2)[C@@H](c2ccccc2)C1 ZINC001274379720 1205015580 /nfs/dbraw/zinc/01/55/80/1205015580.db2.gz UYTOZFZSVHTKPB-XSXCZSQGSA-N 2 0 341.499 2.394 10 0 EEAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001274644803 1205112658 /nfs/dbraw/zinc/11/26/58/1205112658.db2.gz RLICCAWSURNBNN-FUHWJXTLSA-N 2 0 349.523 2.218 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCc2cccs2)C1 ZINC001275054154 1205245856 /nfs/dbraw/zinc/24/58/56/1205245856.db2.gz FEWADVYGGIGFNJ-CVEARBPZSA-N 2 0 335.517 2.213 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001275173431 1205274052 /nfs/dbraw/zinc/27/40/52/1205274052.db2.gz FOTCDJGRWUZJQG-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001275517169 1205392579 /nfs/dbraw/zinc/39/25/79/1205392579.db2.gz UBBCYDONWZEVKE-HOTGVXAUSA-N 2 0 347.507 2.042 10 0 EEAERP C[C@@H](Cn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001411664998 1205478088 /nfs/dbraw/zinc/47/80/88/1205478088.db2.gz FQRLLRMUTQLXIM-JKSUJKDBSA-N 2 0 348.539 2.200 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CC[C@@H](F)C3)C2)cc1 ZINC001412481300 1205736225 /nfs/dbraw/zinc/73/62/25/1205736225.db2.gz UXGUAGCNTZQHDZ-MSOLQXFVSA-N 2 0 333.451 2.119 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2([NH+](C)C)CCCC2)cc1 ZINC001412484526 1205737986 /nfs/dbraw/zinc/73/79/86/1205737986.db2.gz WQXZXKGDLIPFNK-UHFFFAOYSA-N 2 0 346.475 2.390 10 0 EEAERP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000924633616 1206007684 /nfs/dbraw/zinc/00/76/84/1206007684.db2.gz WHXHGHSSBBVMLV-WMZOPIPTSA-N 2 0 334.508 2.403 10 0 EEAERP Cc1nc2c(o1)CCC[C@H]2NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924688238 1206018230 /nfs/dbraw/zinc/01/82/30/1206018230.db2.gz FDQZDKFHBMQQNB-MRXNPFEDSA-N 2 0 341.459 2.297 10 0 EEAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924690124 1206018781 /nfs/dbraw/zinc/01/87/81/1206018781.db2.gz NUJYTCUHFKDHSH-HKUYNNGSSA-N 2 0 334.508 2.253 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924694884 1206019824 /nfs/dbraw/zinc/01/98/24/1206019824.db2.gz OLUUHIHECOKMRL-QGZVFWFLSA-N 2 0 333.520 2.321 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)c1 ZINC000924931810 1206052119 /nfs/dbraw/zinc/05/21/19/1206052119.db2.gz LHSWEHQJTUGFRR-FRQCXROJSA-N 2 0 336.476 2.157 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)CC2)nc1 ZINC000924941393 1206053400 /nfs/dbraw/zinc/05/34/00/1206053400.db2.gz BLPUCISBDVOUFT-OTWHNJEPSA-N 2 0 341.503 2.323 10 0 EEAERP C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccnn1C1CCC1 ZINC000925020894 1206061842 /nfs/dbraw/zinc/06/18/42/1206061842.db2.gz SXCWMKUOUJERAK-OAHLLOKOSA-N 2 0 347.507 2.201 10 0 EEAERP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC)n1 ZINC000925040380 1206064013 /nfs/dbraw/zinc/06/40/13/1206064013.db2.gz JBNPQWVJWDMLCO-RDJZCZTQSA-N 2 0 332.492 2.299 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925321573 1206096231 /nfs/dbraw/zinc/09/62/31/1206096231.db2.gz NDTBZPKOUZJSEZ-MAUKXSAKSA-N 2 0 332.492 2.372 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925395058 1206106324 /nfs/dbraw/zinc/10/63/24/1206106324.db2.gz AUDYEYJHPBDEFK-HNNXBMFYSA-N 2 0 334.464 2.233 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)cn1 ZINC000925520718 1206122567 /nfs/dbraw/zinc/12/25/67/1206122567.db2.gz XVIMUXWDZMXOCI-HKUYNNGSSA-N 2 0 327.476 2.459 10 0 EEAERP COc1cc(OC)cc(OCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925585750 1206132023 /nfs/dbraw/zinc/13/20/23/1206132023.db2.gz WLLVEDZCRUXTGM-SQNIBIBYSA-N 2 0 334.460 2.449 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)n(C)n1 ZINC000925657693 1206140667 /nfs/dbraw/zinc/14/06/67/1206140667.db2.gz DPDBPLSHWSQAIO-MVJTYMMSSA-N 2 0 331.508 2.064 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664240 1206141091 /nfs/dbraw/zinc/14/10/91/1206141091.db2.gz DNVCSQMWACYUGA-XNJHUCFUSA-N 2 0 328.460 2.411 10 0 EEAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[NH2+]2 ZINC000925674188 1206142579 /nfs/dbraw/zinc/14/25/79/1206142579.db2.gz RMNRXDWKOOKBJU-VQJWOFKYSA-N 2 0 347.425 2.439 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000925735632 1206147595 /nfs/dbraw/zinc/14/75/95/1206147595.db2.gz HRSWWPTZLDGGOK-YOEHRIQHSA-N 2 0 333.476 2.475 10 0 EEAERP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC000925812938 1206156821 /nfs/dbraw/zinc/15/68/21/1206156821.db2.gz DKJPLULVVXSEFP-VQTJNVASSA-N 2 0 331.504 2.385 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)CC12CC[NH2+]CC2 ZINC000925849363 1206160515 /nfs/dbraw/zinc/16/05/15/1206160515.db2.gz IQMGMFCLIYADOQ-CJNGLKHVSA-N 2 0 330.428 2.045 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925857268 1206161629 /nfs/dbraw/zinc/16/16/29/1206161629.db2.gz ZHQNNCLISZUBJM-ZWKOTPCHSA-N 2 0 328.456 2.283 10 0 EEAERP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925857976 1206162204 /nfs/dbraw/zinc/16/22/04/1206162204.db2.gz RBQKBFXOBRINNF-OWCLPIDISA-N 2 0 338.492 2.245 10 0 EEAERP CCNC(=O)CC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858595 1206588154 /nfs/dbraw/zinc/58/81/54/1206588154.db2.gz ODTCPDMGQQUVTQ-CALCHBBNSA-N 2 0 347.503 2.254 10 0 EEAERP CC(=O)NCCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858180 1206588174 /nfs/dbraw/zinc/58/81/74/1206588174.db2.gz JEPYLJXYQJBLOH-CALCHBBNSA-N 2 0 347.503 2.254 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(CC[NH+]3CCCC3)C2)O1 ZINC000931704461 1207444481 /nfs/dbraw/zinc/44/44/81/1207444481.db2.gz POXHBRXPJBCBEF-CTNGQTDRSA-N 2 0 343.515 2.448 10 0 EEAERP Cc1ccc(OCCC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001490841513 1208463013 /nfs/dbraw/zinc/46/30/13/1208463013.db2.gz RKZHOHZSPHVPDB-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)C12CC[NH+](CC1)C2 ZINC001276333185 1215754004 /nfs/dbraw/zinc/75/40/04/1215754004.db2.gz PSUDQFKVFOQLMV-UHFFFAOYSA-N 2 0 341.908 2.435 10 0 EEAERP C[C@@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@@H+](C2CC2)C1 ZINC001413034713 1216937339 /nfs/dbraw/zinc/93/73/39/1216937339.db2.gz UNJNRZRPRCJALS-INIZCTEOSA-N 2 0 329.488 2.347 10 0 EEAERP C[C@@H]1CN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C1CCCC1 ZINC001413065065 1230361913 /nfs/dbraw/zinc/36/19/13/1230361913.db2.gz YGUDYFIQVMRRCS-WIYYLYMNSA-N 2 0 345.531 2.428 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000900538551 1234457629 /nfs/dbraw/zinc/45/76/29/1234457629.db2.gz PTJGCHVEQKEUFL-IEBWSBKVSA-N 2 0 345.487 2.260 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827067628 1249738811 /nfs/dbraw/zinc/73/88/11/1249738811.db2.gz ODLNNJHRGYYIKG-HNNXBMFYSA-N 2 0 338.883 2.281 10 0 EEAERP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000903064118 1239648913 /nfs/dbraw/zinc/64/89/13/1239648913.db2.gz MFIHGXGRAISJAD-CCKFTAQKSA-N 2 0 345.487 2.248 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 ZINC000903433277 1240459546 /nfs/dbraw/zinc/45/95/46/1240459546.db2.gz YEOHZPOBTDQTMF-GOEBONIOSA-N 2 0 335.879 2.154 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903496100 1240669292 /nfs/dbraw/zinc/66/92/92/1240669292.db2.gz FOGDJDMPZSAOMW-OWCLPIDISA-N 2 0 346.475 2.257 10 0 EEAERP CC(C)OC(=O)Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903499819 1240687817 /nfs/dbraw/zinc/68/78/17/1240687817.db2.gz PVGCIKYSMFFZCC-CHWSQXEVSA-N 2 0 325.478 2.054 10 0 EEAERP COc1ccc(-c2noc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)n2)c(OC)c1 ZINC000903500178 1240688690 /nfs/dbraw/zinc/68/86/90/1240688690.db2.gz USEPWURDZMAOFU-CHWSQXEVSA-N 2 0 346.431 2.171 10 0 EEAERP Cc1nc(C(C)(C)NC[C@@H](C[NH3+])Cc2cnn(C)c2C)sc1C ZINC000903899207 1242393816 /nfs/dbraw/zinc/39/38/16/1242393816.db2.gz QVPKSUXFXQJFFK-CQSZACIVSA-N 2 0 335.521 2.444 10 0 EEAERP CCC1CCC([N@H+](CCO)C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903914441 1242462790 /nfs/dbraw/zinc/46/27/90/1242462790.db2.gz VAGQWITVJPTNFC-TVRKMHQQSA-N 2 0 336.524 2.109 10 0 EEAERP CCOc1cc(C[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)ccc1OC ZINC000903921916 1242510202 /nfs/dbraw/zinc/51/02/02/1242510202.db2.gz SNFRYOUVRVZVLU-INIZCTEOSA-N 2 0 346.475 2.043 10 0 EEAERP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968554 1242784112 /nfs/dbraw/zinc/78/41/12/1242784112.db2.gz YBUUGAWGGVOMPB-PMPSAXMXSA-N 2 0 343.471 2.287 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001491228841 1258815772 /nfs/dbraw/zinc/81/57/72/1258815772.db2.gz IZBVRSOHAKAFHJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1nc2ccccc2o1 ZINC001491453763 1259090383 /nfs/dbraw/zinc/09/03/83/1259090383.db2.gz DGUUFRVDLZIFBN-ZBFHGGJFSA-N 2 0 344.459 2.295 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001491456737 1259100804 /nfs/dbraw/zinc/10/08/04/1259100804.db2.gz JPTIPSXWYYMACH-CRAIPNDOSA-N 2 0 344.503 2.141 10 0 EEAERP Cc1ccc([C@H](CN[C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925485203 1284503454 /nfs/dbraw/zinc/50/34/54/1284503454.db2.gz LIDCPFJOCGWBAG-RBUKOAKNSA-N 2 0 329.488 2.243 10 0 EEAERP COC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001273847730 1286716772 /nfs/dbraw/zinc/71/67/72/1286716772.db2.gz CNIYMQCTKBBJPC-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1noc(C)c1C[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001490223045 1291039243 /nfs/dbraw/zinc/03/92/43/1291039243.db2.gz VLXTXGZBOVNSSC-UHFFFAOYSA-N 2 0 348.491 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCOCC)C1 ZINC001490766368 1291703475 /nfs/dbraw/zinc/70/34/75/1291703475.db2.gz NGABCYWTMUCKIJ-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)C=C1CC[NH2+]CC1)Cc1ccccc1 ZINC000852858650 1292218231 /nfs/dbraw/zinc/21/82/31/1292218231.db2.gz GIYUSYHKGZDXOM-LJQANCHMSA-N 2 0 329.488 2.366 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000854233175 1292681911 /nfs/dbraw/zinc/68/19/11/1292681911.db2.gz ZRMRUNZGJLFOSM-CYBMUJFWSA-N 2 0 338.883 2.376 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000863549201 1296330177 /nfs/dbraw/zinc/33/01/77/1296330177.db2.gz CTHDPJWXXONXHN-KSZLIROESA-N 2 0 345.418 2.070 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001491171041 1299651001 /nfs/dbraw/zinc/65/10/01/1299651001.db2.gz SWZGNNXSBHULNE-LSDHHAIUSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H](CCC[NH2+]C[C@@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277329417 1302446507 /nfs/dbraw/zinc/44/65/07/1302446507.db2.gz RBZVRGQXWVILOX-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP COCCCCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001277496402 1303681577 /nfs/dbraw/zinc/68/15/77/1303681577.db2.gz UUWTYDIFAANKMG-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)(C)OC(=O)NCCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000698559365 1304443778 /nfs/dbraw/zinc/44/37/78/1304443778.db2.gz NSFGYIHBXIUNAB-CVEARBPZSA-N 2 0 341.496 2.134 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001277864751 1304964639 /nfs/dbraw/zinc/96/46/39/1304964639.db2.gz AUEGUMIDQSIQPW-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC[C@@H]2CCCCO2)CCC1 ZINC001277866804 1304975160 /nfs/dbraw/zinc/97/51/60/1304975160.db2.gz YTDJJBSKPVWGNC-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001277947812 1305246461 /nfs/dbraw/zinc/24/64/61/1305246461.db2.gz PPPAEWDZLUGFKV-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP COc1c(C)cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000841069926 1315467322 /nfs/dbraw/zinc/46/73/22/1315467322.db2.gz GDXLOXBBYDQIQS-HNNXBMFYSA-N 2 0 345.409 2.238 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(Cl)n1 ZINC000841850808 1315622824 /nfs/dbraw/zinc/62/28/24/1315622824.db2.gz DUTLNSFIDHZTGN-YOEHRIQHSA-N 2 0 336.867 2.035 10 0 EEAERP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccn1 ZINC001278527477 1317147596 /nfs/dbraw/zinc/14/75/96/1317147596.db2.gz SXNMGFNXRDJBAN-FUHWJXTLSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001264433769 1322700949 /nfs/dbraw/zinc/70/09/49/1322700949.db2.gz NZIAHKCVVARPSM-KZNAEPCWSA-N 2 0 339.524 2.159 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265294930 1323044070 /nfs/dbraw/zinc/04/40/70/1323044070.db2.gz MLRPNMOYFYOCDK-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265399473 1323131710 /nfs/dbraw/zinc/13/17/10/1323131710.db2.gz XBNGUGHAFJFDBG-QGZVFWFLSA-N 2 0 339.499 2.392 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001265485106 1323178045 /nfs/dbraw/zinc/17/80/45/1323178045.db2.gz XWFADAMPYFADMU-IHRRRGAJSA-N 2 0 335.414 2.440 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCOC)CC[C@@H]21 ZINC001265526168 1323204583 /nfs/dbraw/zinc/20/45/83/1323204583.db2.gz UDQUIUPWTVMYAH-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC001265591471 1323248580 /nfs/dbraw/zinc/24/85/80/1323248580.db2.gz VHZUTAOYYXVURY-AWEZNQCLSA-N 2 0 337.430 2.499 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265596878 1323252961 /nfs/dbraw/zinc/25/29/61/1323252961.db2.gz LXJUBLHQAKXVIS-GOSISDBHSA-N 2 0 347.503 2.227 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCCCF)C1 ZINC001265613499 1323267755 /nfs/dbraw/zinc/26/77/55/1323267755.db2.gz QAEBKOFVOLENLZ-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001265871785 1323444925 /nfs/dbraw/zinc/44/49/25/1323444925.db2.gz GMEJCPVYYMOSLZ-FUHWJXTLSA-N 2 0 348.491 2.246 10 0 EEAERP CO[C@@H](C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC001265907044 1323475169 /nfs/dbraw/zinc/47/51/69/1323475169.db2.gz YDSZRYDNIHCAHD-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)[C@@H](C)c2cnccn2)C1 ZINC001265907756 1323475209 /nfs/dbraw/zinc/47/52/09/1323475209.db2.gz BTOMJWNWFSQTEU-DLBZAZTESA-N 2 0 347.507 2.098 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cncs1 ZINC001265933068 1323497136 /nfs/dbraw/zinc/49/71/36/1323497136.db2.gz FLFVHSYLBWQJPZ-MRXNPFEDSA-N 2 0 338.521 2.344 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001265945337 1323509033 /nfs/dbraw/zinc/50/90/33/1323509033.db2.gz JBRFOTKQENDXQU-IBGZPJMESA-N 2 0 329.488 2.296 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cc(C)ns1 ZINC001266042408 1323592908 /nfs/dbraw/zinc/59/29/08/1323592908.db2.gz AHSCSNBXFBMOAO-GDBMZVCRSA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001266075428 1323630729 /nfs/dbraw/zinc/63/07/29/1323630729.db2.gz NIMLMWUKUCVZEH-IAGOWNOFSA-N 2 0 332.492 2.331 10 0 EEAERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001266149574 1323718654 /nfs/dbraw/zinc/71/86/54/1323718654.db2.gz ZGYCANAEIHFYJX-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001266194651 1323757039 /nfs/dbraw/zinc/75/70/39/1323757039.db2.gz DGDFGMHCUDYAQP-UHFFFAOYSA-N 2 0 332.492 2.236 10 0 EEAERP CC(C)(C(=O)NCC1=CC[N@H+](C[C@@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC001279607317 1323957052 /nfs/dbraw/zinc/95/70/52/1323957052.db2.gz MSIPNYBLCMNHAS-SFHVURJKSA-N 2 0 349.519 2.036 10 0 EEAERP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654009 1323970897 /nfs/dbraw/zinc/97/08/97/1323970897.db2.gz LZDWMGMQXHAPFU-IAGOWNOFSA-N 2 0 337.508 2.034 10 0 EEAERP COC[C@H](C)[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276634661 1324906596 /nfs/dbraw/zinc/90/65/96/1324906596.db2.gz VRWPMYUSVHDBIW-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001282923504 1325836206 /nfs/dbraw/zinc/83/62/06/1325836206.db2.gz GCBSFLIXYQZDLK-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001283227897 1325962843 /nfs/dbraw/zinc/96/28/43/1325962843.db2.gz DUSRUHFEXHZJHX-AOIWGVFYSA-N 2 0 346.519 2.495 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@@H]1C ZINC001283924897 1326321963 /nfs/dbraw/zinc/32/19/63/1326321963.db2.gz BFAHAYPLXCMTQO-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001283937780 1326328603 /nfs/dbraw/zinc/32/86/03/1326328603.db2.gz DVNAYVMORBNXBT-IEBWSBKVSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001284002790 1326357595 /nfs/dbraw/zinc/35/75/95/1326357595.db2.gz YLIXWZXDRRNRON-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001284094701 1326403978 /nfs/dbraw/zinc/40/39/78/1326403978.db2.gz ANUMIISXERATTE-KZNAEPCWSA-N 2 0 331.504 2.265 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001284127671 1326422287 /nfs/dbraw/zinc/42/22/87/1326422287.db2.gz DEWBTXWXVHOPBG-QAPCUYQASA-N 2 0 344.459 2.262 10 0 EEAERP CCOCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001284724364 1326683262 /nfs/dbraw/zinc/68/32/62/1326683262.db2.gz WNGXZSZETUUNSW-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCc1ccccc1Cl ZINC001491639300 1330193982 /nfs/dbraw/zinc/19/39/82/1330193982.db2.gz DTUKIDAEXDSRCJ-CQSZACIVSA-N 2 0 335.879 2.073 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1F ZINC001491682488 1330204182 /nfs/dbraw/zinc/20/41/82/1330204182.db2.gz LWASUXXDJDWFRJ-CRAIPNDOSA-N 2 0 335.467 2.337 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491858991 1330276753 /nfs/dbraw/zinc/27/67/53/1330276753.db2.gz NSBKVHXYNOYPLA-INIZCTEOSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001491943956 1330334944 /nfs/dbraw/zinc/33/49/44/1330334944.db2.gz PUXAATRNYKSEHE-IRXDYDNUSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1noc2c1CCCC2 ZINC001492043542 1330416761 /nfs/dbraw/zinc/41/67/61/1330416761.db2.gz MYCWRERLMONUEH-RHSMWYFYSA-N 2 0 348.491 2.022 10 0 EEAERP COCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001316670524 1330450359 /nfs/dbraw/zinc/45/03/59/1330450359.db2.gz PDFUIQGHMVCOHY-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1Cc1cncs1)C12CC[NH+](CC1)C2 ZINC001492176042 1331054587 /nfs/dbraw/zinc/05/45/87/1331054587.db2.gz QHKOVTURNSOLII-HNNXBMFYSA-N 2 0 348.516 2.100 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCOc1ccccc1 ZINC001316832808 1331361180 /nfs/dbraw/zinc/36/11/80/1331361180.db2.gz GEANRFUFQQKULN-UHFFFAOYSA-N 2 0 345.487 2.132 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(F)c1F)[NH+](C)C ZINC001316834832 1331376398 /nfs/dbraw/zinc/37/63/98/1331376398.db2.gz LERPGINKCVAMQI-OAHLLOKOSA-N 2 0 327.419 2.243 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2cc(F)ccc2F)CCC1 ZINC001316830638 1331920512 /nfs/dbraw/zinc/92/05/12/1331920512.db2.gz SKWCXFGXFONNEZ-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCOCC1)[NH+](C)C ZINC001317434491 1332237795 /nfs/dbraw/zinc/23/77/95/1332237795.db2.gz INZVGAZAXRXWNO-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1OCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600196 1332319462 /nfs/dbraw/zinc/31/94/62/1332319462.db2.gz GPVOBETXJIWCTM-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1C ZINC001317664613 1332359005 /nfs/dbraw/zinc/35/90/05/1332359005.db2.gz LGNGGZWMKXAQIX-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1ncccc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001317709187 1332382996 /nfs/dbraw/zinc/38/29/96/1332382996.db2.gz VHYQSVORDFLQAO-GOSISDBHSA-N 2 0 332.492 2.058 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOCCC(C)C)C1 ZINC001318460302 1332542365 /nfs/dbraw/zinc/54/23/65/1332542365.db2.gz XUYQPXJXXMJAPR-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001318477088 1332547486 /nfs/dbraw/zinc/54/74/86/1332547486.db2.gz ANQZEWBWOUCYCQ-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C[NH2+]CCCF ZINC001319871243 1332789764 /nfs/dbraw/zinc/78/97/64/1332789764.db2.gz VHTABSQEMGAVCD-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001320150943 1332838888 /nfs/dbraw/zinc/83/88/88/1332838888.db2.gz DYRHKUDGBNOQGB-OVPGCVMQSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001320451586 1332887130 /nfs/dbraw/zinc/88/71/30/1332887130.db2.gz YDGXFJLHZNOYHR-BBRMVZONSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320736473 1332943078 /nfs/dbraw/zinc/94/30/78/1332943078.db2.gz BRORMANCAHVLRD-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(COC)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320769349 1332949272 /nfs/dbraw/zinc/94/92/72/1332949272.db2.gz INOVKAVLNTXBFJ-LJQANCHMSA-N 2 0 347.503 2.255 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCc1ccccc1 ZINC001321119265 1333023267 /nfs/dbraw/zinc/02/32/67/1333023267.db2.gz ABFLTAMQTJCHQM-OVKVCFKUSA-N 2 0 329.488 2.366 10 0 EEAERP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321209413 1333045354 /nfs/dbraw/zinc/04/53/54/1333045354.db2.gz OQGTWKCZTBCLII-LLHDCHNASA-N 2 0 337.508 2.080 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001321230450 1333050279 /nfs/dbraw/zinc/05/02/79/1333050279.db2.gz CMBZQNGKOSVHDP-BWPKMQGJSA-N 2 0 333.451 2.491 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001321418048 1333099195 /nfs/dbraw/zinc/09/91/95/1333099195.db2.gz XPKDESBZFZXJNA-OBMMGQTPSA-N 2 0 333.451 2.461 10 0 EEAERP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001321909905 1333177892 /nfs/dbraw/zinc/17/78/92/1333177892.db2.gz ULOXIHASVUSXPL-ZDUSSCGKSA-N 2 0 335.414 2.442 10 0 EEAERP Cc1cccc(OCC[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001322511314 1333274026 /nfs/dbraw/zinc/27/40/26/1333274026.db2.gz DIDJCPVZUAPANS-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322792288 1333327366 /nfs/dbraw/zinc/32/73/66/1333327366.db2.gz JWGNXQSTMBFYPI-GOSISDBHSA-N 2 0 343.515 2.455 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1F)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001322808071 1333331782 /nfs/dbraw/zinc/33/17/82/1333331782.db2.gz UBEPKOHOUWZOFE-FQEVSTJZSA-N 2 0 347.478 2.292 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001324867782 1333776863 /nfs/dbraw/zinc/77/68/63/1333776863.db2.gz DSYBEEDGEXASGP-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001324993377 1333804328 /nfs/dbraw/zinc/80/43/28/1333804328.db2.gz SSSABUHYYMSECQ-OSJSJHBBSA-N 2 0 337.508 2.082 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001325563086 1333912708 /nfs/dbraw/zinc/91/27/08/1333912708.db2.gz WFJDDSUDLHOGAS-RDJZCZTQSA-N 2 0 337.533 2.317 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2COCCN2C2CCCC2)CCC1 ZINC001326874835 1334174866 /nfs/dbraw/zinc/17/48/66/1334174866.db2.gz KMXWEKDTHXOJDQ-SFHVURJKSA-N 2 0 349.519 2.225 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccn1C ZINC001675986435 1357082290 /nfs/dbraw/zinc/08/22/90/1357082290.db2.gz UPFZPNAWVSBXSK-SJORKVTESA-N 2 0 349.523 2.058 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001329922419 1334740703 /nfs/dbraw/zinc/74/07/03/1334740703.db2.gz XGKNVYDTNGLJEX-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001330686014 1334886785 /nfs/dbraw/zinc/88/67/85/1334886785.db2.gz HVCZNXCMYBSJCG-XZIJGPQMSA-N 2 0 327.900 2.344 10 0 EEAERP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001330919260 1334927385 /nfs/dbraw/zinc/92/73/85/1334927385.db2.gz UNVXBQGEAQLHGR-KGLIPLIRSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001331616703 1335046282 /nfs/dbraw/zinc/04/62/82/1335046282.db2.gz QATIVDAJZAQWBU-GOSISDBHSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001332047717 1335713261 /nfs/dbraw/zinc/71/32/61/1335713261.db2.gz JGHAOFWARFNNJJ-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP CN(C[C@@H](O)C[NH2+]CCC(C)(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001332577321 1335854273 /nfs/dbraw/zinc/85/42/73/1335854273.db2.gz CJMZIGNBQNNOTN-SFHVURJKSA-N 2 0 349.519 2.207 10 0 EEAERP COc1cccc(/C=C\CC[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001480116345 1337890310 /nfs/dbraw/zinc/89/03/10/1337890310.db2.gz YQIOYRWTLPROMX-GINYUPMKSA-N 2 0 345.487 2.241 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCCCC(F)(F)F)C2)C1 ZINC001665332048 1355294322 /nfs/dbraw/zinc/29/43/22/1355294322.db2.gz BYGPJTAONLAAND-ZDUSSCGKSA-N 2 0 335.414 2.109 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214724 1355900690 /nfs/dbraw/zinc/90/06/90/1355900690.db2.gz NXIXMJRLYRFVBV-HZPDHXFCSA-N 2 0 349.523 2.099 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1cccc(N(C)C)c1 ZINC001436331105 1342034831 /nfs/dbraw/zinc/03/48/31/1342034831.db2.gz UCWZZIFQXNXYDO-LJQANCHMSA-N 2 0 346.519 2.127 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500393010 1342185852 /nfs/dbraw/zinc/18/58/52/1342185852.db2.gz JYFINYISWANBOR-FQEVSTJZSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1C[NH+](CCCCCF)C1 ZINC001506628874 1342292487 /nfs/dbraw/zinc/29/24/87/1342292487.db2.gz JCSFTPDYPRULHM-INIZCTEOSA-N 2 0 339.499 2.439 10 0 EEAERP O=C(NCCC[N@H+](Cc1ccsc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001566600757 1342574268 /nfs/dbraw/zinc/57/42/68/1342574268.db2.gz MGSOIRVLESZBTI-UHFFFAOYSA-N 2 0 333.501 2.315 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001566990879 1342674253 /nfs/dbraw/zinc/67/42/53/1342674253.db2.gz YASTVBQUHRYXCV-AOCRQIFASA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176055 1342705123 /nfs/dbraw/zinc/70/51/23/1342705123.db2.gz HKHMGSAUBHEBEE-HZPDHXFCSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001676002611 1357085944 /nfs/dbraw/zinc/08/59/44/1357085944.db2.gz WHJOFVGBEYLJDR-CZUORRHYSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567591063 1342789275 /nfs/dbraw/zinc/78/92/75/1342789275.db2.gz VISQDOHTBMIDNJ-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001570215886 1343033205 /nfs/dbraw/zinc/03/32/05/1343033205.db2.gz PSCMNHCFSBFPIJ-HNNXBMFYSA-N 2 0 340.899 2.356 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001571506053 1343221730 /nfs/dbraw/zinc/22/17/30/1343221730.db2.gz ZLZJGBIIVUOCQP-IEBWSBKVSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001571700978 1343280911 /nfs/dbraw/zinc/28/09/11/1343280911.db2.gz UQPSIEDKAAOHAP-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)[C@@H]1C ZINC001676679569 1357179499 /nfs/dbraw/zinc/17/94/99/1357179499.db2.gz AQKBADMOWPJURQ-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001649439909 1353506304 /nfs/dbraw/zinc/50/63/04/1353506304.db2.gz JKZSJQITDXSPMY-OPUMOTSWSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC001649850269 1353626056 /nfs/dbraw/zinc/62/60/56/1353626056.db2.gz ULCQBISXBVFDIN-HNNXBMFYSA-N 2 0 333.451 2.469 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001660304015 1354434687 /nfs/dbraw/zinc/43/46/87/1354434687.db2.gz MUNMCUZHZYRUBT-RHSMWYFYSA-N 2 0 333.467 2.385 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](CC2CC(F)(F)C2)C2CC2)C1 ZINC001660723611 1354525849 /nfs/dbraw/zinc/52/58/49/1354525849.db2.gz YJVZIOLYPUPIRA-CQSZACIVSA-N 2 0 343.462 2.344 10 0 EEAERP CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001661235643 1354615240 /nfs/dbraw/zinc/61/52/40/1354615240.db2.gz LWNNWYHGLRDLEO-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001661930623 1354725384 /nfs/dbraw/zinc/72/53/84/1354725384.db2.gz WMDWXDJQNPBOMO-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001661972042 1354730525 /nfs/dbraw/zinc/73/05/25/1354730525.db2.gz MPPXXQKVTMQWAA-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001661972758 1354730956 /nfs/dbraw/zinc/73/09/56/1354730956.db2.gz YNCJWNCJINUZBZ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCCC2CCOCC2)CC[N@@H+]1C ZINC001662224584 1354765590 /nfs/dbraw/zinc/76/55/90/1354765590.db2.gz GCCPYAKJPQMNHB-RYQLBKOJSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1nccn1CCCC(=O)N(C)CC[NH2+]CC=C(Cl)Cl ZINC001664249125 1355122686 /nfs/dbraw/zinc/12/26/86/1355122686.db2.gz WOEMKDSRTMBXPA-UHFFFAOYSA-N 2 0 333.263 2.339 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001666093877 1355449571 /nfs/dbraw/zinc/44/95/71/1355449571.db2.gz YXSLFZREORGCOX-SJLPKXTDSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001666256203 1355496779 /nfs/dbraw/zinc/49/67/79/1355496779.db2.gz FADNXSPZLIRTPB-OAHLLOKOSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667032885 1355635933 /nfs/dbraw/zinc/63/59/33/1355635933.db2.gz GASGSMDOFZIADJ-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162502 1355889045 /nfs/dbraw/zinc/88/90/45/1355889045.db2.gz FXJDZKHCUYPHPL-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173184 1355890942 /nfs/dbraw/zinc/89/09/42/1355890942.db2.gz CNAMFOQLJPVPJX-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668235114 1355905982 /nfs/dbraw/zinc/90/59/82/1355905982.db2.gz YEWNRWNCTMVZHB-SJORKVTESA-N 2 0 332.492 2.331 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668426644 1355938789 /nfs/dbraw/zinc/93/87/89/1355938789.db2.gz NNGRVDJJTBTTMX-QGZVFWFLSA-N 2 0 336.480 2.048 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668614464 1355973141 /nfs/dbraw/zinc/97/31/41/1355973141.db2.gz VSUWOWAIDMKVHA-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)cs1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668651873 1355979369 /nfs/dbraw/zinc/97/93/69/1355979369.db2.gz ADCAGAJRNMJVAU-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001668872573 1356031836 /nfs/dbraw/zinc/03/18/36/1356031836.db2.gz JWLKRWWIMAAVEH-KJPDOMRESA-N 2 0 338.883 2.083 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669376006 1356152261 /nfs/dbraw/zinc/15/22/61/1356152261.db2.gz GWEBWIJLIUCTFN-MSOLQXFVSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccn1)[NH+]1CCCCCC1 ZINC001670271928 1356308963 /nfs/dbraw/zinc/30/89/63/1356308963.db2.gz WSQCWNBNNGDJBZ-QGZVFWFLSA-N 2 0 332.492 2.284 10 0 EEAERP O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2)C12CC[NH+](CC1)C2 ZINC001672166056 1356471723 /nfs/dbraw/zinc/47/17/23/1356471723.db2.gz ANDFYDWCJAXIQT-BBWFWOEESA-N 2 0 337.483 2.191 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001672320332 1356500734 /nfs/dbraw/zinc/50/07/34/1356500734.db2.gz HIVNYPPKBRPWIU-XSDWHBAISA-N 2 0 327.900 2.155 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001672857876 1356600199 /nfs/dbraw/zinc/60/01/99/1356600199.db2.gz FYAIMPPPABMJQY-ZDUSSCGKSA-N 2 0 348.318 2.475 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001672909457 1356612417 /nfs/dbraw/zinc/61/24/17/1356612417.db2.gz GOZSIHSACIYMKO-QGZVFWFLSA-N 2 0 348.491 2.269 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCOc2ccc(C)cc2)C1 ZINC001673917798 1356759873 /nfs/dbraw/zinc/75/98/73/1356759873.db2.gz QUSVNNRYWHEQOY-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1C[NH+](CCCCCF)C1 ZINC001675359981 1356970357 /nfs/dbraw/zinc/97/03/57/1356970357.db2.gz QLMHAKVJUGOOFL-QAPCUYQASA-N 2 0 325.472 2.049 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698569405 1405009513 /nfs/dbraw/zinc/00/95/13/1405009513.db2.gz PWVQPJBEHBIIAI-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1[NH2+]CCCF ZINC001698901464 1405140955 /nfs/dbraw/zinc/14/09/55/1405140955.db2.gz WXWWCSVPOCSTJC-HZPDHXFCSA-N 2 0 325.472 2.049 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001698912924 1405154738 /nfs/dbraw/zinc/15/47/38/1405154738.db2.gz CMSFWENWGMLEMD-DLBZAZTESA-N 2 0 325.472 2.049 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)o1 ZINC001698917023 1405160126 /nfs/dbraw/zinc/16/01/26/1405160126.db2.gz HCFBZGNTPYDDCH-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001698922137 1405163048 /nfs/dbraw/zinc/16/30/48/1405163048.db2.gz BRDCZEUPRSCKJE-PKOBYXMFSA-N 2 0 344.503 2.203 10 0 EEAERP O=C(NC/C=C\C[NH2+]C/C=C\Cl)C1CC[NH+](CC2CC2)CC1 ZINC001699328078 1405334571 /nfs/dbraw/zinc/33/45/71/1405334571.db2.gz DEUYSROKNPTIPZ-DVWHOSDNSA-N 2 0 325.884 2.123 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCc3ccccc3)C2)C1 ZINC001699856153 1405530186 /nfs/dbraw/zinc/53/01/86/1405530186.db2.gz JTKAATUWMHUHBD-UYAOXDASSA-N 2 0 329.488 2.009 10 0 EEAERP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](CCCCCF)C1 ZINC001699876910 1405544241 /nfs/dbraw/zinc/54/42/41/1405544241.db2.gz LWJWUTKUZRSAIJ-GOSISDBHSA-N 2 0 339.499 2.440 10 0 EEAERP Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)o1 ZINC000675009026 769024545 /nfs/dbraw/zinc/02/45/45/769024545.db2.gz COHWJWXQXQPLPP-SFHVURJKSA-N 2 0 345.487 2.497 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809616767 783226044 /nfs/dbraw/zinc/22/60/44/783226044.db2.gz YOPCOAYVPHBEPY-UHFFFAOYSA-N 2 0 325.478 2.400 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC000846700584 790439235 /nfs/dbraw/zinc/43/92/35/790439235.db2.gz YGEVROOLAIDYTA-KZNAEPCWSA-N 2 0 337.508 2.140 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834954 778986197 /nfs/dbraw/zinc/98/61/97/778986197.db2.gz KBIKPDLXGSHURQ-SECBINFHSA-N 2 0 327.354 2.452 10 0 EEAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925839411 779286601 /nfs/dbraw/zinc/28/66/01/779286601.db2.gz QYOOVYYPTMCFTI-AAEUAGOBSA-N 2 0 327.270 2.112 10 0 EEAERP CC(C)Oc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+](C)C)cc1 ZINC000908213430 785239110 /nfs/dbraw/zinc/23/91/10/785239110.db2.gz WPYFBCMYLGPYCK-SFHVURJKSA-N 2 0 345.487 2.289 10 0 EEAERP Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CN(Cc3ccccc3)C(C)(C)C1)CC2 ZINC000922991458 788509272 /nfs/dbraw/zinc/50/92/72/788509272.db2.gz IGDODKYCRWLICZ-IRXDYDNUSA-N 2 0 339.487 2.315 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000844313238 788979618 /nfs/dbraw/zinc/97/96/18/788979618.db2.gz JNFUQBMWIZERRY-WDYCEAGBSA-N 2 0 343.471 2.470 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921528211 789037831 /nfs/dbraw/zinc/03/78/31/789037831.db2.gz RLPNSKKHHWYOLF-UHFFFAOYSA-N 2 0 325.888 2.058 10 0 EEAERP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317180 789359047 /nfs/dbraw/zinc/35/90/47/789359047.db2.gz BEIDXXZSPZKDKL-CQSZACIVSA-N 2 0 330.350 2.396 10 0 EEAERP Cc1ccc2c(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc(=O)oc2c1 ZINC000923451867 789583796 /nfs/dbraw/zinc/58/37/96/789583796.db2.gz QITMAAYEMVNWES-MRXNPFEDSA-N 2 0 342.439 2.431 10 0 EEAERP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923497147 789671625 /nfs/dbraw/zinc/67/16/25/789671625.db2.gz FRPAYISZFSEXCN-JENIJYKNSA-N 2 0 347.503 2.187 10 0 EEAERP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498906 789680802 /nfs/dbraw/zinc/68/08/02/789680802.db2.gz QRTPKEFJAFIFST-FUHWJXTLSA-N 2 0 347.503 2.398 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914076087 794834509 /nfs/dbraw/zinc/83/45/09/794834509.db2.gz PPBRZQFDWSQTKI-FUHWJXTLSA-N 2 0 347.507 2.106 10 0 EEAERP CO[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCC2 ZINC000453118272 799134080 /nfs/dbraw/zinc/13/40/80/799134080.db2.gz LFZLESIXKLFHMG-QZTJIDSGSA-N 2 0 335.536 2.484 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922465234 801117727 /nfs/dbraw/zinc/11/77/27/801117727.db2.gz DFDAJDVHXPBBCM-ROUUACIJSA-N 2 0 347.507 2.248 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566074916 1125547973 /nfs/dbraw/zinc/54/79/73/1125547973.db2.gz DJLMAWORKXAPFP-MSOLQXFVSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1cnc([C@H](C)N(C)CCCNC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001566490719 1125655951 /nfs/dbraw/zinc/65/59/51/1125655951.db2.gz BBHXWHLAWSKZKK-HNNXBMFYSA-N 2 0 338.496 2.460 10 0 EEAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001566492385 1125657651 /nfs/dbraw/zinc/65/76/51/1125657651.db2.gz FNAJBWCXNPBNIN-INIZCTEOSA-N 2 0 327.419 2.243 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ncccc1C ZINC001566556882 1125730781 /nfs/dbraw/zinc/73/07/81/1125730781.db2.gz RRBDMYCLJSQSBR-UHFFFAOYSA-N 2 0 344.503 2.347 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001436415134 1087770012 /nfs/dbraw/zinc/77/00/12/1087770012.db2.gz IYRBQAGMBCYXDT-YESZJQIVSA-N 2 0 347.507 2.062 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CN(CCF)CC[C@@H]1c1cccc(F)c1 ZINC001436432889 1087805078 /nfs/dbraw/zinc/80/50/78/1087805078.db2.gz QCXYYMXGKCMISL-IAGOWNOFSA-N 2 0 339.430 2.021 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+][C@H](C)COC)C1 ZINC001436475122 1087943301 /nfs/dbraw/zinc/94/33/01/1087943301.db2.gz LBILKPKZZCLBNI-IAGOWNOFSA-N 2 0 327.513 2.114 10 0 EEAERP CC[C@@H](C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)OC ZINC001436476298 1087947596 /nfs/dbraw/zinc/94/75/96/1087947596.db2.gz NCNNADMAFJYZJU-SJORKVTESA-N 2 0 327.513 2.114 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001436893319 1088544191 /nfs/dbraw/zinc/54/41/91/1088544191.db2.gz FUAQNWXHFIYVQW-XRXJCZTQSA-N 2 0 339.483 2.278 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+][C@H]3CCc4ccccc43)C2)CC1 ZINC001437308817 1089464163 /nfs/dbraw/zinc/46/41/63/1089464163.db2.gz GYVUXOVDWHGTGE-APWZRJJASA-N 2 0 341.499 2.454 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC001437393804 1089645496 /nfs/dbraw/zinc/64/54/96/1089645496.db2.gz BUYHAFPUXLAZHU-ZBFHGGJFSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001437527662 1089957035 /nfs/dbraw/zinc/95/70/35/1089957035.db2.gz VVBSETRQUIASQQ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccccc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437673199 1090203360 /nfs/dbraw/zinc/20/33/60/1090203360.db2.gz ALAZAJHQPGJJDE-QFBILLFUSA-N 2 0 329.488 2.417 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001437725937 1090280416 /nfs/dbraw/zinc/28/04/16/1090280416.db2.gz KIQHJNZASUOODK-IAGOWNOFSA-N 2 0 347.478 2.148 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001437830258 1090418093 /nfs/dbraw/zinc/41/80/93/1090418093.db2.gz IPPWGFAHYQIORM-INIZCTEOSA-N 2 0 345.487 2.433 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001437878272 1090454437 /nfs/dbraw/zinc/45/44/37/1090454437.db2.gz BOOMZZDVCKWSOQ-ZRSRNVLSSA-N 2 0 333.520 2.438 10 0 EEAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(C)nc1C ZINC001438323708 1090797908 /nfs/dbraw/zinc/79/79/08/1090797908.db2.gz CMIYQZUMHUDCJY-GOSISDBHSA-N 2 0 332.492 2.025 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccnc1 ZINC001438337538 1090812718 /nfs/dbraw/zinc/81/27/18/1090812718.db2.gz CSQNFWHWPAOWIH-AEFFLSMTSA-N 2 0 332.492 2.331 10 0 EEAERP C[C@@](C[NH2+]Cc1cccc(F)c1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438428897 1090926733 /nfs/dbraw/zinc/92/67/33/1090926733.db2.gz OINUFTCSDZGSKG-IBGZPJMESA-N 2 0 333.451 2.296 10 0 EEAERP C[C@H](C[NH2+]CC1CCOCC1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001438695481 1091199147 /nfs/dbraw/zinc/19/91/47/1091199147.db2.gz QXVLZFMDXZJQOR-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438723651 1091252039 /nfs/dbraw/zinc/25/20/39/1091252039.db2.gz QQJKZQLKFLDUAN-CRAIPNDOSA-N 2 0 340.471 2.123 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001438760282 1091325697 /nfs/dbraw/zinc/32/56/97/1091325697.db2.gz AUJAQQRIGGQKSS-JKSUJKDBSA-N 2 0 336.480 2.040 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001438881551 1091526388 /nfs/dbraw/zinc/52/63/88/1091526388.db2.gz NCRJDUKCABOESA-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1csc(Cl)n1 ZINC001438956382 1091647685 /nfs/dbraw/zinc/64/76/85/1091647685.db2.gz CHPZRHKCNOIPGC-WCQYABFASA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439169101 1091816132 /nfs/dbraw/zinc/81/61/32/1091816132.db2.gz WLEAZRHWSYAEOS-CVEARBPZSA-N 2 0 340.471 2.171 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)C[NH+]1CCCC1 ZINC001439179307 1091827119 /nfs/dbraw/zinc/82/71/19/1091827119.db2.gz LJKQEMJQVPEKGT-GFCCVEGCSA-N 2 0 327.831 2.169 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001439259710 1091910214 /nfs/dbraw/zinc/91/02/14/1091910214.db2.gz ZZIGSIPBEXDKFU-RDJZCZTQSA-N 2 0 332.492 2.249 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001445974847 1091932002 /nfs/dbraw/zinc/93/20/02/1091932002.db2.gz AXFIUUUJZLLWLY-MAUKXSAKSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001439323633 1091999377 /nfs/dbraw/zinc/99/93/77/1091999377.db2.gz HEFVCFREZRFIKW-UKRRQHHQSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001439329444 1092012949 /nfs/dbraw/zinc/01/29/49/1092012949.db2.gz ARVLAUZZVNCLOL-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001446091932 1092117769 /nfs/dbraw/zinc/11/77/69/1092117769.db2.gz GELVRQPBMCNMIC-MAUKXSAKSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccnc1)[NH+]1CCCC1 ZINC001439407743 1092171105 /nfs/dbraw/zinc/17/11/05/1092171105.db2.gz NCJBYLLUWKDBIY-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1)c1cccc(F)c1 ZINC001439490828 1092312712 /nfs/dbraw/zinc/31/27/12/1092312712.db2.gz FPNRQNQHZPCRAF-KDOFPFPSSA-N 2 0 333.451 2.467 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC001439550273 1092420907 /nfs/dbraw/zinc/42/09/07/1092420907.db2.gz WTHWIFRRGVYTQP-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H]([C@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300978 1092469566 /nfs/dbraw/zinc/46/95/66/1092469566.db2.gz ZUWSUPOPHBDSFU-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CCCC2)on1 ZINC001439816116 1092792542 /nfs/dbraw/zinc/79/25/42/1092792542.db2.gz NEJAXAOZYMUOPE-KSSFIOAISA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cncs1)C1CCCC1 ZINC001439821739 1092808724 /nfs/dbraw/zinc/80/87/24/1092808724.db2.gz UTINOYZXNVSIQD-CVEARBPZSA-N 2 0 336.505 2.002 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001439904860 1092969483 /nfs/dbraw/zinc/96/94/83/1092969483.db2.gz SRJCPXZKIZKXIE-AEFFLSMTSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001440401816 1093588346 /nfs/dbraw/zinc/58/83/46/1093588346.db2.gz XUCTXQONAHUKNX-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC2CC(F)(F)C2)CC1 ZINC001448555098 1093599051 /nfs/dbraw/zinc/59/90/51/1093599051.db2.gz RSYCRWWOPBNXJB-UHFFFAOYSA-N 2 0 331.451 2.295 10 0 EEAERP CN(CCC[N@H+](C)CC[C@H]1CCCCO1)C(=O)[C@H]1CCCC[NH+]1C ZINC001440426928 1093627330 /nfs/dbraw/zinc/62/73/30/1093627330.db2.gz IYXLLICMJXKPMX-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](C[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)OC ZINC001440470399 1093697096 /nfs/dbraw/zinc/69/70/96/1093697096.db2.gz GPWUCHOYOHZJTA-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCC2(C[NH+](CC(C)C)C2)O1)[NH+](CC)CC ZINC001440499666 1093740273 /nfs/dbraw/zinc/74/02/73/1093740273.db2.gz JDAWIUFIENKZHW-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001448716342 1093787965 /nfs/dbraw/zinc/78/79/65/1093787965.db2.gz JSVULMDJUAWDKT-OLZOCXBDSA-N 2 0 327.419 2.414 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001440671746 1093935154 /nfs/dbraw/zinc/93/51/54/1093935154.db2.gz UWMHTWAEWHUSHE-YOEHRIQHSA-N 2 0 336.480 2.230 10 0 EEAERP CC[C@H](C(=O)NC1(CO)CC[NH+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001440694264 1093946937 /nfs/dbraw/zinc/94/69/37/1093946937.db2.gz KHDSABMBSALOLL-MRXNPFEDSA-N 2 0 341.540 2.096 10 0 EEAERP C[C@H]1[C@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001448976955 1093980492 /nfs/dbraw/zinc/98/04/92/1093980492.db2.gz HKRUEKKQCKVKCF-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449021565 1094025752 /nfs/dbraw/zinc/02/57/52/1094025752.db2.gz UZFHAJBYDMFYRZ-IEBWSBKVSA-N 2 0 348.491 2.190 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccnc1)CC2)[NH+](C)C ZINC001449026442 1094033479 /nfs/dbraw/zinc/03/34/79/1094033479.db2.gz HHFQJKMFFRYHQJ-AOIWGVFYSA-N 2 0 330.476 2.035 10 0 EEAERP CC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001449028526 1094036830 /nfs/dbraw/zinc/03/68/30/1094036830.db2.gz KPSXJXWWSBFASY-RTBURBONSA-N 2 0 329.488 2.055 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001449046417 1094061499 /nfs/dbraw/zinc/06/14/99/1094061499.db2.gz CNFWVGHSJBHDBA-GJZGRUSLSA-N 2 0 338.521 2.086 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001440855541 1094115592 /nfs/dbraw/zinc/11/55/92/1094115592.db2.gz JDFVUOZFPSKKPB-CHWSQXEVSA-N 2 0 327.419 2.288 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001441001476 1094273741 /nfs/dbraw/zinc/27/37/41/1094273741.db2.gz RLDTVRWGQWSUEO-GDBMZVCRSA-N 2 0 336.480 2.184 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cncs1)NC(=O)C12CC[NH+](CC1)C2 ZINC001441127673 1094452516 /nfs/dbraw/zinc/45/25/16/1094452516.db2.gz DUYDKLFSCYTKQL-CQSZACIVSA-N 2 0 336.505 2.004 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccnc2C)C1)[NH+](CC)CC ZINC001441183558 1094539714 /nfs/dbraw/zinc/53/97/14/1094539714.db2.gz LHGOTNUOPPCUHE-LPHOPBHVSA-N 2 0 346.519 2.447 10 0 EEAERP CO[C@@H](C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001441207543 1094570246 /nfs/dbraw/zinc/57/02/46/1094570246.db2.gz LNXMHHMFCNDIGM-APWZRJJASA-N 2 0 347.503 2.151 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248328 1094640724 /nfs/dbraw/zinc/64/07/24/1094640724.db2.gz ANBSHOQQNTTXGT-VQTJNVASSA-N 2 0 343.515 2.228 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)CC1(C)C ZINC001441253952 1094650189 /nfs/dbraw/zinc/65/01/89/1094650189.db2.gz CQWMLTFFOWXRBS-CQSZACIVSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001441292401 1094725893 /nfs/dbraw/zinc/72/58/93/1094725893.db2.gz GRFXSXOUHMGNTD-MRXNPFEDSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cs1 ZINC001441315030 1094768778 /nfs/dbraw/zinc/76/87/78/1094768778.db2.gz MTJGIVCFZPUYMD-LEUOFYLZSA-N 2 0 347.528 2.192 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001441422284 1095012790 /nfs/dbraw/zinc/01/27/90/1095012790.db2.gz RFPVAIYJVQLIJM-JOCQHMNTSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c(C)n1 ZINC001441534530 1095246370 /nfs/dbraw/zinc/24/63/70/1095246370.db2.gz IKCRVECTKBHWPV-HNNXBMFYSA-N 2 0 332.492 2.119 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1Cl ZINC001441646606 1095592773 /nfs/dbraw/zinc/59/27/73/1095592773.db2.gz IXKSUIRZIAVYEK-AWEZNQCLSA-N 2 0 335.879 2.372 10 0 EEAERP CCc1nocc1C[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001441739861 1095729588 /nfs/dbraw/zinc/72/95/88/1095729588.db2.gz UYIKJVMNLMBEFV-VMBOVVBDSA-N 2 0 336.480 2.094 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001441846581 1095927147 /nfs/dbraw/zinc/92/71/47/1095927147.db2.gz AMXAPYDHMSVBGL-BLLLJJGKSA-N 2 0 325.403 2.043 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCC(F)(F)C1)CC2 ZINC001441862900 1095965896 /nfs/dbraw/zinc/96/58/96/1095965896.db2.gz HHTCQYWGLNEMRS-INMHGKMJSA-N 2 0 343.462 2.487 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]32)co1 ZINC001441867080 1095975934 /nfs/dbraw/zinc/97/59/34/1095975934.db2.gz JTEKCNYDIFEXHX-KBAYOESNSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1conc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001441889629 1096025331 /nfs/dbraw/zinc/02/53/31/1096025331.db2.gz ZEVHLXNGZWJGIF-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001441939945 1096135150 /nfs/dbraw/zinc/13/51/50/1096135150.db2.gz RWDIYSPIPNVZRQ-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441955853 1096157150 /nfs/dbraw/zinc/15/71/50/1096157150.db2.gz WQOYEDHRYXXDDO-LSDHHAIUSA-N 2 0 328.460 2.104 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001442206282 1096492169 /nfs/dbraw/zinc/49/21/69/1096492169.db2.gz ATQFTSUQAYATLU-IBGZPJMESA-N 2 0 331.504 2.494 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001442212069 1096503433 /nfs/dbraw/zinc/50/34/33/1096503433.db2.gz MGFHSSYYADOOEF-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001442276591 1096586071 /nfs/dbraw/zinc/58/60/71/1096586071.db2.gz JBGMBKPKFXLWOC-UHFFFAOYSA-N 2 0 344.503 2.203 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001442803366 1097185175 /nfs/dbraw/zinc/18/51/75/1097185175.db2.gz VJFHBXHGZUCXTN-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C1CC1)[C@H]1CCc2ccccc21 ZINC001442995054 1097414916 /nfs/dbraw/zinc/41/49/16/1097414916.db2.gz OZWRNGXKEVEHRR-RBUKOAKNSA-N 2 0 327.472 2.349 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](C[C@@H]1CCCCO1)C1CC1 ZINC001443010055 1097425165 /nfs/dbraw/zinc/42/51/65/1097425165.db2.gz UQDVZEXKRYFKRX-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001443188485 1097633270 /nfs/dbraw/zinc/63/32/70/1097633270.db2.gz ORCCKLWPNIJCDD-KGLIPLIRSA-N 2 0 335.414 2.203 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001443389520 1097902648 /nfs/dbraw/zinc/90/26/48/1097902648.db2.gz XOWHZDSJOGNBLD-ZUTSKAEESA-N 2 0 334.291 2.228 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC001443629199 1098123778 /nfs/dbraw/zinc/12/37/78/1098123778.db2.gz NARPBCYFSYRPOT-LIRRHRJNSA-N 2 0 345.462 2.203 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCC1CCOCC1 ZINC001443940103 1098460144 /nfs/dbraw/zinc/46/01/44/1098460144.db2.gz PNXYQRTXLBYDKD-OKZBNKHCSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnoc1C ZINC001444009505 1098526104 /nfs/dbraw/zinc/52/61/04/1098526104.db2.gz TVYRZVFSYIFVOJ-YOEHRIQHSA-N 2 0 336.480 2.232 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001479711705 1098789702 /nfs/dbraw/zinc/78/97/02/1098789702.db2.gz YSCDFNHHDQPGRG-QAPCUYQASA-N 2 0 344.459 2.262 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001479736709 1098846195 /nfs/dbraw/zinc/84/61/95/1098846195.db2.gz PQEJPORESZLHIR-HOTGVXAUSA-N 2 0 338.471 2.414 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(F)c(F)c1 ZINC001479860555 1099171276 /nfs/dbraw/zinc/17/12/76/1099171276.db2.gz KWKMPBYADVATJG-OAHLLOKOSA-N 2 0 339.430 2.245 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCc1cccs1)C1CC1 ZINC001479873788 1099230236 /nfs/dbraw/zinc/23/02/36/1099230236.db2.gz GAJWMVNBLVLFJQ-QGZVFWFLSA-N 2 0 335.517 2.356 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001479906083 1099296122 /nfs/dbraw/zinc/29/61/22/1099296122.db2.gz LPAKUWILSVSSAR-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444671372 1099512098 /nfs/dbraw/zinc/51/20/98/1099512098.db2.gz JHXNUSOSIFXHNN-XHSDSOJGSA-N 2 0 335.467 2.493 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001444731448 1099607278 /nfs/dbraw/zinc/60/72/78/1099607278.db2.gz RJERJDLJQUQVOP-HZPDHXFCSA-N 2 0 333.476 2.289 10 0 EEAERP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1)c1cnccn1 ZINC001444788975 1099699527 /nfs/dbraw/zinc/69/95/27/1099699527.db2.gz OGWPZDIIFYSIDH-YJBOKZPZSA-N 2 0 347.507 2.144 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001480215631 1099828357 /nfs/dbraw/zinc/82/83/57/1099828357.db2.gz JCNPANPLEKFJHJ-ZACQAIPSSA-N 2 0 335.467 2.389 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001480259328 1099931745 /nfs/dbraw/zinc/93/17/45/1099931745.db2.gz HJHSVYKHTIFJMT-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCN(C)Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001445034862 1100208622 /nfs/dbraw/zinc/20/86/22/1100208622.db2.gz SVOCUQVYYLCSHE-HOCLYGCPSA-N 2 0 348.491 2.173 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001480478002 1100285284 /nfs/dbraw/zinc/28/52/84/1100285284.db2.gz WAVBMYDJAPQZSA-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1F ZINC001480480269 1100289345 /nfs/dbraw/zinc/28/93/45/1100289345.db2.gz QJDIOCMACWIEDA-HIFRSBDPSA-N 2 0 339.430 2.434 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001480481272 1100290640 /nfs/dbraw/zinc/29/06/40/1100290640.db2.gz WYDGJRGGGYBHAY-DOTOQJQBSA-N 2 0 333.476 2.164 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]C/C(Cl)=C/Cl)C12CC[NH+](CC1)C2 ZINC001445100225 1100329886 /nfs/dbraw/zinc/32/98/86/1100329886.db2.gz AOFPCDVYPQYTOX-DOOVCASASA-N 2 0 346.302 2.276 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001480528111 1100359074 /nfs/dbraw/zinc/35/90/74/1100359074.db2.gz URRZCPWMZOSOBD-PXAZEXFGSA-N 2 0 339.430 2.388 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001480571789 1100415502 /nfs/dbraw/zinc/41/55/02/1100415502.db2.gz MERPJDBWYQLIDY-HKUYNNGSSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445359845 1100596499 /nfs/dbraw/zinc/59/64/99/1100596499.db2.gz BRYCOVRLVWCNSM-LALPHHSUSA-N 2 0 341.858 2.414 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229274 1100786824 /nfs/dbraw/zinc/78/68/24/1100786824.db2.gz HEQMIHLYCQGCSI-CRAIPNDOSA-N 2 0 346.519 2.402 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC001495210957 1100894156 /nfs/dbraw/zinc/89/41/56/1100894156.db2.gz KEZTXKQGFWVYGO-IRXDYDNUSA-N 2 0 344.503 2.473 10 0 EEAERP CCC[NH2+]C[C@@](C)(NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001495261787 1100958029 /nfs/dbraw/zinc/95/80/29/1100958029.db2.gz CWVBCEQLOITXJX-GOSISDBHSA-N 2 0 327.432 2.165 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001496375893 1100968997 /nfs/dbraw/zinc/96/89/97/1100968997.db2.gz OSIFHUIHUAYDAK-YJBOKZPZSA-N 2 0 335.467 2.493 10 0 EEAERP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)[NH+](C)C ZINC001495280102 1100978338 /nfs/dbraw/zinc/97/83/38/1100978338.db2.gz LQYQEDRFNIFDIS-RDJZCZTQSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446551047 1101019351 /nfs/dbraw/zinc/01/93/51/1101019351.db2.gz AMKNAPUMSSWBBC-XLIONFOSSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCCO)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001495320779 1101025971 /nfs/dbraw/zinc/02/59/71/1101025971.db2.gz LKZRINMXKVDEET-APWZRJJASA-N 2 0 341.540 2.001 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001496478836 1101070065 /nfs/dbraw/zinc/07/00/65/1101070065.db2.gz FUHQJCFUUVCHMM-VQIMIIECSA-N 2 0 347.503 2.364 10 0 EEAERP COCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001495389289 1101108916 /nfs/dbraw/zinc/10/89/16/1101108916.db2.gz CECFRSMDPRXCNT-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]Cc3cccc(F)c3)CC2)C1 ZINC001495443686 1101158569 /nfs/dbraw/zinc/15/85/69/1101158569.db2.gz GDDTWMWQRZUMKR-SFHVURJKSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001495481251 1101190719 /nfs/dbraw/zinc/19/07/19/1101190719.db2.gz GZBSUTHIKQXHNY-WKILWMFISA-N 2 0 348.491 2.409 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCOC2CCC2)C1 ZINC001446698624 1101263959 /nfs/dbraw/zinc/26/39/59/1101263959.db2.gz VFKQWALMFIOXLR-IBGZPJMESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCOCC1 ZINC001446726360 1101298375 /nfs/dbraw/zinc/29/83/75/1101298375.db2.gz OFFHHQNJUJMAHJ-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CC3CCC3)CCC2(F)F)C1 ZINC001446727584 1101301554 /nfs/dbraw/zinc/30/15/54/1101301554.db2.gz QASKKEFZVZGXRA-CVEARBPZSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001496732733 1101364207 /nfs/dbraw/zinc/36/42/07/1101364207.db2.gz ZBYGZCGXUMCIJF-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CC[N@H+](C)CCCc1cccc(F)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001496816890 1101523000 /nfs/dbraw/zinc/52/30/00/1101523000.db2.gz NZVQWNMBUZAAGK-UHFFFAOYSA-N 2 0 347.478 2.244 10 0 EEAERP Cc1ccncc1C[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001496840980 1101576610 /nfs/dbraw/zinc/57/66/10/1101576610.db2.gz AGWIIOFSSGIKQS-CALCHBBNSA-N 2 0 332.492 2.153 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001446945796 1101635806 /nfs/dbraw/zinc/63/58/06/1101635806.db2.gz OSFOGXGYSNYSLY-IAGOWNOFSA-N 2 0 349.523 2.131 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC2(C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001495974218 1101870170 /nfs/dbraw/zinc/87/01/70/1101870170.db2.gz PCUILVZCNLGXMG-HZPDHXFCSA-N 2 0 345.478 2.339 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1OC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497152311 1102035872 /nfs/dbraw/zinc/03/58/72/1102035872.db2.gz ASNGPKQFQBMYOY-QAPCUYQASA-N 2 0 345.487 2.306 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cs1 ZINC001497264835 1102218134 /nfs/dbraw/zinc/21/81/34/1102218134.db2.gz UMEAMKZEINYPQQ-CYBMUJFWSA-N 2 0 338.521 2.032 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497271915 1102229825 /nfs/dbraw/zinc/22/98/25/1102229825.db2.gz PKSIOVFPYKNGKT-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCCC(C)(C)C)C2)O1 ZINC001447390440 1102579127 /nfs/dbraw/zinc/57/91/27/1102579127.db2.gz YXIKBDLJLDRWPK-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCCC(F)(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC001497579317 1102693122 /nfs/dbraw/zinc/69/31/22/1102693122.db2.gz NDEUDYHZGFLKBM-ABCZVMIZSA-N 2 0 347.425 2.323 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001497585930 1102703749 /nfs/dbraw/zinc/70/37/49/1102703749.db2.gz OJQVJBOCYXHGAN-OBNUAKFSSA-N 2 0 329.488 2.487 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F ZINC001497660433 1102845315 /nfs/dbraw/zinc/84/53/15/1102845315.db2.gz IKFHEGSKPQPJBA-WHLIDYPQSA-N 2 0 333.451 2.417 10 0 EEAERP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)c(C)o1 ZINC001447558390 1102858841 /nfs/dbraw/zinc/85/88/41/1102858841.db2.gz WOUMVYBGKDBTGI-UHFFFAOYSA-N 2 0 348.491 2.104 10 0 EEAERP CCN1CCO[C@H](C(=O)N2CCC(C)([NH2+]CCC(C)(C)C)CC2)C1 ZINC001447565879 1102873213 /nfs/dbraw/zinc/87/32/13/1102873213.db2.gz CHMUDFVVUVFCDI-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)CC1 ZINC001497675075 1102881202 /nfs/dbraw/zinc/88/12/02/1102881202.db2.gz NNOPHGRMYOCPBY-IHWYPQMZSA-N 2 0 343.462 2.416 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447885071 1103514904 /nfs/dbraw/zinc/51/49/04/1103514904.db2.gz YCLSCNSURYHGKZ-OLZOCXBDSA-N 2 0 336.505 2.063 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447907795 1103570392 /nfs/dbraw/zinc/57/03/92/1103570392.db2.gz KSCHMGHUSXJNOU-DLBZAZTESA-N 2 0 346.519 2.493 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccns2)C1 ZINC001494170861 1103638106 /nfs/dbraw/zinc/63/81/06/1103638106.db2.gz FOEJFOKDRZOZOL-HNNXBMFYSA-N 2 0 338.521 2.155 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001447942333 1103653493 /nfs/dbraw/zinc/65/34/93/1103653493.db2.gz ZNRKZIPQPMJVHV-UONOGXRCSA-N 2 0 335.879 2.419 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ncccc2C)C1 ZINC001448075469 1103946424 /nfs/dbraw/zinc/94/64/24/1103946424.db2.gz AZLIVGIOJCOONG-QZTJIDSGSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001448211803 1104183259 /nfs/dbraw/zinc/18/32/59/1104183259.db2.gz QYJRVFGXXPROKY-SJORKVTESA-N 2 0 336.480 2.122 10 0 EEAERP CCc1nocc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001448261586 1104269791 /nfs/dbraw/zinc/26/97/91/1104269791.db2.gz QVOJSWFWEPOJBX-QGZVFWFLSA-N 2 0 348.491 2.194 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccc(COC)c2)C1 ZINC001494909062 1104541671 /nfs/dbraw/zinc/54/16/71/1104541671.db2.gz CJDSFERKNMRWBN-LJQANCHMSA-N 2 0 347.503 2.208 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(C)ccc1OC ZINC001494981542 1104624300 /nfs/dbraw/zinc/62/43/00/1104624300.db2.gz PXYRJYGHBGKIBB-KBAYOESNSA-N 2 0 347.503 2.328 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccncc1Cl ZINC001497992333 1106747912 /nfs/dbraw/zinc/74/79/12/1106747912.db2.gz DYBXGSFPPUZIRJ-CZUORRHYSA-N 2 0 338.883 2.204 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001480619364 1106778234 /nfs/dbraw/zinc/77/82/34/1106778234.db2.gz UFKFHIFRWZCRPJ-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480710874 1106935029 /nfs/dbraw/zinc/93/50/29/1106935029.db2.gz UFOPAMINQYIACQ-IRXDYDNUSA-N 2 0 348.491 2.376 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001498382409 1107426327 /nfs/dbraw/zinc/42/63/27/1107426327.db2.gz VRXHIWKWYHYGTN-ZBFHGGJFSA-N 2 0 335.467 2.412 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2nc3ccccc3o2)CC[N@@H+]1C ZINC001498550171 1107703665 /nfs/dbraw/zinc/70/36/65/1107703665.db2.gz PSBOMVJXXQENIR-HUUCEWRRSA-N 2 0 344.459 2.106 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001493254868 1107780044 /nfs/dbraw/zinc/78/00/44/1107780044.db2.gz KMJJEAGXQLLCSO-JKSUJKDBSA-N 2 0 335.517 2.071 10 0 EEAERP O=C(NCC[N@H+](CCOC1CCC1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001493382389 1108033880 /nfs/dbraw/zinc/03/38/80/1108033880.db2.gz ZQUKAMXGFUWBBK-UHFFFAOYSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001493719410 1108561808 /nfs/dbraw/zinc/56/18/08/1108561808.db2.gz BAIPRMHPQRWAJF-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001456039323 1109057991 /nfs/dbraw/zinc/05/79/91/1109057991.db2.gz AUAKXVPCWHMKJC-ROUUACIJSA-N 2 0 327.472 2.109 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC001457737744 1109749850 /nfs/dbraw/zinc/74/98/50/1109749850.db2.gz BTDUXLOMANUVBT-MLHJIOFPSA-N 2 0 347.528 2.183 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001479193362 1110661570 /nfs/dbraw/zinc/66/15/70/1110661570.db2.gz SCTWXVVQNZZYSI-OKZBNKHCSA-N 2 0 338.540 2.480 10 0 EEAERP O=C(NCC1([NH2+]CCc2ccccc2Cl)CC1)C12CC[NH+](CC1)C2 ZINC001499420497 1112278136 /nfs/dbraw/zinc/27/81/36/1112278136.db2.gz GVWCRNTZKUESLD-UHFFFAOYSA-N 2 0 347.890 2.217 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001499944764 1112550997 /nfs/dbraw/zinc/55/09/97/1112550997.db2.gz PLPFGIJNWWLBIL-KRWDZBQOSA-N 2 0 335.467 2.291 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@]3(CC[N@H+](CCCF)C3)C2)CC1 ZINC001500155232 1112642652 /nfs/dbraw/zinc/64/26/52/1112642652.db2.gz BOZJBDAXBJZQCT-GOSISDBHSA-N 2 0 339.499 2.392 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589960 1112960127 /nfs/dbraw/zinc/96/01/27/1112960127.db2.gz WKWDCIXAEJROKY-ZWKOTPCHSA-N 2 0 349.519 2.225 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001501077257 1113190307 /nfs/dbraw/zinc/19/03/07/1113190307.db2.gz WPHDDEVPMHKZBI-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001501625768 1113404195 /nfs/dbraw/zinc/40/41/95/1113404195.db2.gz QQZOVTSNBDUQTR-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001501652014 1113415962 /nfs/dbraw/zinc/41/59/62/1113415962.db2.gz VLKHPTJJFDOMEE-JGWKKKPCSA-N 2 0 336.307 2.474 10 0 EEAERP CCOCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001501744467 1113459810 /nfs/dbraw/zinc/45/98/10/1113459810.db2.gz CWYIDBBDFYBRQR-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502054376 1113571537 /nfs/dbraw/zinc/57/15/37/1113571537.db2.gz ZJODKDZPGZELMP-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001502390365 1113661639 /nfs/dbraw/zinc/66/16/39/1113661639.db2.gz BDXJUZBIKFVOPA-KRWDZBQOSA-N 2 0 332.492 2.012 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2c3ccccc3CC[NH+]2CC2CC2)C1 ZINC001503690122 1113899047 /nfs/dbraw/zinc/89/90/47/1113899047.db2.gz FCHSLNUZPDLCKV-YLJYHZDGSA-N 2 0 341.499 2.454 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001505465831 1114000812 /nfs/dbraw/zinc/00/08/12/1114000812.db2.gz NBLMZNBPPFUFRA-SFHVURJKSA-N 2 0 347.503 2.458 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCc3ccccc3)C2)CC1 ZINC001505516648 1114032208 /nfs/dbraw/zinc/03/22/08/1114032208.db2.gz FJCHNHQNBJJVHB-UHFFFAOYSA-N 2 0 329.488 2.055 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CCOCc1ccccc1 ZINC001505981384 1114318092 /nfs/dbraw/zinc/31/80/92/1114318092.db2.gz POVSWAQUDNEBRF-MJGOQNOKSA-N 2 0 347.503 2.124 10 0 EEAERP CC(C)[NH2+]CCCOC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001506490813 1114646692 /nfs/dbraw/zinc/64/66/92/1114646692.db2.gz NHESCFRMRNZJLD-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001506897806 1114958077 /nfs/dbraw/zinc/95/80/77/1114958077.db2.gz VPIAVTZSVMLHPH-OWYHZJEWSA-N 2 0 329.488 2.226 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001507117103 1115117257 /nfs/dbraw/zinc/11/72/57/1115117257.db2.gz GORLGOZRSBVMJJ-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001507129524 1115123688 /nfs/dbraw/zinc/12/36/88/1115123688.db2.gz JHAJAMZHVSQDLK-SJORKVTESA-N 2 0 327.513 2.112 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001507152288 1115136201 /nfs/dbraw/zinc/13/62/01/1115136201.db2.gz BMECXUTXOLCQLY-YOEHRIQHSA-N 2 0 328.460 2.056 10 0 EEAERP C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001507244956 1115159898 /nfs/dbraw/zinc/15/98/98/1115159898.db2.gz YPXXMRKSJPNISZ-DLBZAZTESA-N 2 0 341.540 2.144 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001507296356 1115179156 /nfs/dbraw/zinc/17/91/56/1115179156.db2.gz IVERLBWYUTYKLR-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001507380488 1115239238 /nfs/dbraw/zinc/23/92/38/1115239238.db2.gz FRWXUOCBJVDPJX-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCCCCF ZINC001507384546 1115242788 /nfs/dbraw/zinc/24/27/88/1115242788.db2.gz WWXFOBXAFZFYFJ-CVEARBPZSA-N 2 0 325.472 2.191 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC001508134236 1115425150 /nfs/dbraw/zinc/42/51/50/1115425150.db2.gz KDSMQEICQVAZBZ-UHFFFAOYSA-N 2 0 329.444 2.464 10 0 EEAERP Cc1ccc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001508231154 1115455503 /nfs/dbraw/zinc/45/55/03/1115455503.db2.gz JJKCEWLUARXRRT-UHFFFAOYSA-N 2 0 327.472 2.339 10 0 EEAERP CC(C)OCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001568043129 1124247153 /nfs/dbraw/zinc/24/71/53/1124247153.db2.gz FNTHOQPXNGQCPG-HKUYNNGSSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001568065848 1124270732 /nfs/dbraw/zinc/27/07/32/1124270732.db2.gz FPEZAGGRABHAMV-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCCF)CCCC2)CC1 ZINC001568243818 1124382170 /nfs/dbraw/zinc/38/21/70/1124382170.db2.gz NNRRTIIXHAIHDO-UHFFFAOYSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]Cc1ccon1 ZINC001568372328 1124443828 /nfs/dbraw/zinc/44/38/28/1124443828.db2.gz VMWFOSKWJYIPMD-FUHWJXTLSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568633143 1124648203 /nfs/dbraw/zinc/64/82/03/1124648203.db2.gz YMDDSMREXAGEAP-OAHLLOKOSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568639889 1124653225 /nfs/dbraw/zinc/65/32/25/1124653225.db2.gz BMJDQXRFAKSQSK-AWEZNQCLSA-N 2 0 336.480 2.267 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568678707 1124690573 /nfs/dbraw/zinc/69/05/73/1124690573.db2.gz XGBSWSKWRIAMAJ-JKSUJKDBSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568684646 1124695685 /nfs/dbraw/zinc/69/56/85/1124695685.db2.gz HYSKAJRWCVIHDQ-CABCVRRESA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001568698721 1124712384 /nfs/dbraw/zinc/71/23/84/1124712384.db2.gz HRQKIYAQGSYFGR-LRDDRELGSA-N 2 0 327.419 2.289 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001569237347 1125185522 /nfs/dbraw/zinc/18/55/22/1125185522.db2.gz FJJTVZTYQIBSPF-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1ncccn1 ZINC001569246772 1125192307 /nfs/dbraw/zinc/19/23/07/1125192307.db2.gz OZEDQYJEQZQDBB-SJORKVTESA-N 2 0 347.507 2.240 10 0 EEAERP c1cn(CCCn2c3ccccc3nc2NCc2cncnc2)cn1 ZINC000361631499 539933806 /nfs/dbraw/zinc/93/38/06/539933806.db2.gz LEWHQHVDDZZRGC-UHFFFAOYSA-N 2 0 333.399 2.147 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000246485638 201178089 /nfs/dbraw/zinc/17/80/89/201178089.db2.gz OXCDOZNXLQHVCA-FHWLQOOXSA-N 2 0 329.488 2.484 10 0 EEAERP NC(=O)CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000421886601 240043264 /nfs/dbraw/zinc/04/32/64/240043264.db2.gz SBFJSZUVZGHQMA-BCDXTJNWSA-N 2 0 327.472 2.427 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422880309 240272603 /nfs/dbraw/zinc/27/26/03/240272603.db2.gz WSLLAXZZUXFVGS-WNRNVDISSA-N 2 0 345.487 2.021 10 0 EEAERP CC[NH+]1CCN([C@H](c2ccccc2Br)[C@H](C)[NH3+])CC1 ZINC000043090722 204211345 /nfs/dbraw/zinc/21/13/45/204211345.db2.gz RFMFHWPTABWFSU-WFASDCNBSA-N 2 0 326.282 2.475 10 0 EEAERP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000246505162 205206674 /nfs/dbraw/zinc/20/66/74/205206674.db2.gz QECRJRVGVSLQPN-JTDSTZFVSA-N 2 0 345.487 2.034 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863089 206629630 /nfs/dbraw/zinc/62/96/30/206629630.db2.gz TWWDXNBNNCWCRM-QZTJIDSGSA-N 2 0 332.492 2.415 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000176925586 207275478 /nfs/dbraw/zinc/27/54/78/207275478.db2.gz OVEKZQMJPZASTI-IKGGRYGDSA-N 2 0 348.491 2.444 10 0 EEAERP CC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000271733076 256238969 /nfs/dbraw/zinc/23/89/69/256238969.db2.gz YWYVXZZXNYIBDR-RBUKOAKNSA-N 2 0 347.503 2.200 10 0 EEAERP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261548076 160399260 /nfs/dbraw/zinc/39/92/60/160399260.db2.gz JBOWKVAWGYXWGP-QZTJIDSGSA-N 2 0 327.472 2.109 10 0 EEAERP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCOCC1 ZINC000261758325 160413994 /nfs/dbraw/zinc/41/39/94/160413994.db2.gz FQVVEQAYHHRDIL-UHFFFAOYSA-N 2 0 345.487 2.187 10 0 EEAERP [NH3+]C1(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)CCCCCC1 ZINC000237738259 160224393 /nfs/dbraw/zinc/22/43/93/160224393.db2.gz MQXBVASCKSNXFK-UHFFFAOYSA-N 2 0 337.508 2.189 10 0 EEAERP CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248389669 160343236 /nfs/dbraw/zinc/34/32/36/160343236.db2.gz BAMILEXVVSKGQW-XRXFAXGQSA-N 2 0 343.515 2.207 10 0 EEAERP NC(=O)N1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000343952047 161183645 /nfs/dbraw/zinc/18/36/45/161183645.db2.gz MKPBAVDTRRPLGP-UHFFFAOYSA-N 2 0 336.505 2.093 10 0 EEAERP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](O)C(F)(F)F ZINC000344335118 161217919 /nfs/dbraw/zinc/21/79/19/161217919.db2.gz RCQGLHHKVQFMTE-UONOGXRCSA-N 2 0 328.338 2.367 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000359361931 164120450 /nfs/dbraw/zinc/12/04/50/164120450.db2.gz AWYFQBVSEPIYHE-AEFFLSMTSA-N 2 0 333.451 2.454 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000365033122 165357440 /nfs/dbraw/zinc/35/74/40/165357440.db2.gz AFYFKUUCAORUKH-UHFFFAOYSA-N 2 0 345.487 2.327 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000365063480 165365909 /nfs/dbraw/zinc/36/59/09/165365909.db2.gz TVNMTXIRGKDKDM-UHFFFAOYSA-N 2 0 332.492 2.407 10 0 EEAERP CC(C)[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274618834 269040909 /nfs/dbraw/zinc/04/09/09/269040909.db2.gz TTZSENFNGXQTNL-ZWKOTPCHSA-N 2 0 330.476 2.002 10 0 EEAERP COC1(C[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)CCC1 ZINC000277365540 269150618 /nfs/dbraw/zinc/15/06/18/269150618.db2.gz XHIDDCMECJPPHJ-INIZCTEOSA-N 2 0 332.492 2.271 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000289474273 275119155 /nfs/dbraw/zinc/11/91/55/275119155.db2.gz XJPHTSZPVGRVBO-LEWJYISDSA-N 2 0 344.547 2.438 10 0 EEAERP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000495017167 276888614 /nfs/dbraw/zinc/88/86/14/276888614.db2.gz JXPMRUOEJVSBJO-GOSISDBHSA-N 2 0 345.487 2.306 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000270511830 277165931 /nfs/dbraw/zinc/16/59/31/277165931.db2.gz LMPMTHKXAYQLLG-OALUTQOASA-N 2 0 342.487 2.312 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000074714474 279256635 /nfs/dbraw/zinc/25/66/35/279256635.db2.gz UNXCQCCDKGHKJI-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247911222 288302587 /nfs/dbraw/zinc/30/25/87/288302587.db2.gz AEWPWGGFLQLFID-OWYHZJEWSA-N 2 0 342.487 2.310 10 0 EEAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246988678 297096168 /nfs/dbraw/zinc/09/61/68/297096168.db2.gz MLBOGDHEDYMWBD-WTGUMLROSA-N 2 0 334.552 2.104 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414358241 313003943 /nfs/dbraw/zinc/00/39/43/313003943.db2.gz GHOUODMXNQBQHE-UHFFFAOYSA-N 2 0 330.519 2.362 10 0 EEAERP C[C@@H]1C[C@H](C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)CC[NH2+]1 ZINC000414756029 313076663 /nfs/dbraw/zinc/07/66/63/313076663.db2.gz ITLXPZDIOQKVDA-KURKYZTESA-N 2 0 333.520 2.489 10 0 EEAERP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416438744 313223178 /nfs/dbraw/zinc/22/31/78/313223178.db2.gz OVTHMXDCIIGDKG-IXXDHKBRSA-N 2 0 336.505 2.275 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416978368 313380159 /nfs/dbraw/zinc/38/01/59/313380159.db2.gz FMLHSXSLGVVRNC-KDURUIRLSA-N 2 0 342.487 2.318 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418557551 313846056 /nfs/dbraw/zinc/84/60/56/313846056.db2.gz RLMUZKKECWQBDX-UHFFFAOYSA-N 2 0 338.455 2.003 10 0 EEAERP CCN(C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000530239834 317703197 /nfs/dbraw/zinc/70/31/97/317703197.db2.gz VXXZRBFAGCGRSZ-IBGZPJMESA-N 2 0 345.487 2.130 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000541380968 318097848 /nfs/dbraw/zinc/09/78/48/318097848.db2.gz PEKRMVPTECLTAJ-FUHWJXTLSA-N 2 0 328.416 2.003 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)N1CCC([NH2+]CCOC)CC1)c1ccccc1 ZINC000564094560 319066722 /nfs/dbraw/zinc/06/67/22/319066722.db2.gz NDXAPVXNTVUHMS-IBGZPJMESA-N 2 0 347.503 2.297 10 0 EEAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000567361823 319373356 /nfs/dbraw/zinc/37/33/56/319373356.db2.gz ONBMKKBRDBNCNW-MVCQKVDPSA-N 2 0 342.487 2.233 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000568489944 319492866 /nfs/dbraw/zinc/49/28/66/319492866.db2.gz QPHIAOIFJYEJSB-RDTXWAMCSA-N 2 0 348.466 2.087 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)CC1 ZINC000571384375 319750214 /nfs/dbraw/zinc/75/02/14/319750214.db2.gz JKSUHBXSDXEGCP-HXUWFJFHSA-N 2 0 345.531 2.086 10 0 EEAERP O[C@@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)COCc1ccccc1Cl ZINC000574806205 320058965 /nfs/dbraw/zinc/05/89/65/320058965.db2.gz VTKDPPPCFWETQP-KGLIPLIRSA-N 2 0 335.835 2.088 10 0 EEAERP C[C@@H]1CN(Cc2cccc(NC(=O)CC(F)(F)CN)c2)C[C@@H](C)O1 ZINC000576355777 320165001 /nfs/dbraw/zinc/16/50/01/320165001.db2.gz IMGZGWRWEMUPDE-CHWSQXEVSA-N 2 0 341.402 2.218 10 0 EEAERP O=C(NC[C@@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000576450506 320172900 /nfs/dbraw/zinc/17/29/00/320172900.db2.gz HRFBEGCPFYZTFZ-QBUWPKIASA-N 2 0 342.487 2.233 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1ccc(F)cc1 ZINC000577859796 320280406 /nfs/dbraw/zinc/28/04/06/320280406.db2.gz NVNDUOAFNUJTHW-GOSISDBHSA-N 2 0 329.419 2.360 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000578226099 320302175 /nfs/dbraw/zinc/30/21/75/320302175.db2.gz IHPPIOWYUZCWCX-QAPCUYQASA-N 2 0 330.476 2.080 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000581879686 324333787 /nfs/dbraw/zinc/33/37/87/324333787.db2.gz VIWDWUQQORHFIL-VMWRSERWSA-N 2 0 338.467 2.413 10 0 EEAERP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+](C)C)nc2)[NH+](C)C)cc1 ZINC000339257464 465170875 /nfs/dbraw/zinc/17/08/75/465170875.db2.gz SGLUGOYDTSNGIN-IBGZPJMESA-N 2 0 340.471 2.484 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000341465507 465182496 /nfs/dbraw/zinc/18/24/96/465182496.db2.gz RUTOQXNLVWNYNS-XHSDSOJGSA-N 2 0 336.480 2.444 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339358791 465222646 /nfs/dbraw/zinc/22/26/46/465222646.db2.gz LOEZYBIPYPJQTB-CQSZACIVSA-N 2 0 341.293 2.474 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCO[C@@H](C)C2)CC1 ZINC000568472971 468340155 /nfs/dbraw/zinc/34/01/55/468340155.db2.gz FIFVLNQNKWKJFJ-MOPGFXCFSA-N 2 0 345.531 2.392 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000568489942 468344634 /nfs/dbraw/zinc/34/46/34/468344634.db2.gz QPHIAOIFJYEJSB-KDOFPFPSSA-N 2 0 348.466 2.087 10 0 EEAERP Cc1ccc(CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)o1 ZINC000142869001 463363872 /nfs/dbraw/zinc/36/38/72/463363872.db2.gz MWUYHQRGCTXLFX-UHFFFAOYSA-N 2 0 331.460 2.295 10 0 EEAERP O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000150771993 463424003 /nfs/dbraw/zinc/42/40/03/463424003.db2.gz BTEWPAXQYJOYQZ-GJZGRUSLSA-N 2 0 347.425 2.205 10 0 EEAERP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(Cc2nccn2C)CC1)C1CC1 ZINC000105876622 463484896 /nfs/dbraw/zinc/48/48/96/463484896.db2.gz OVICUENTRNDBSV-OAHLLOKOSA-N 2 0 344.503 2.464 10 0 EEAERP [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000164536690 463625834 /nfs/dbraw/zinc/62/58/34/463625834.db2.gz SYDQZIVUBAUAOO-WBVHZDCISA-N 2 0 333.451 2.424 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000073811819 463658854 /nfs/dbraw/zinc/65/88/54/463658854.db2.gz PQYUOLGPAKJWGX-RBUKOAKNSA-N 2 0 344.503 2.244 10 0 EEAERP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000287195111 463830869 /nfs/dbraw/zinc/83/08/69/463830869.db2.gz WBKZTYYHDFLSBF-SFHVURJKSA-N 2 0 348.491 2.100 10 0 EEAERP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261929507 463902533 /nfs/dbraw/zinc/90/25/33/463902533.db2.gz LNGFCVVCWZXEJW-LZLYRXPVSA-N 2 0 328.460 2.091 10 0 EEAERP [NH3+]Cc1ccc(-c2noc(CC3([NH+]4CCOCC4)CCCC3)n2)cc1 ZINC000262016521 463925588 /nfs/dbraw/zinc/92/55/88/463925588.db2.gz MTQOJLNTXTXCCU-UHFFFAOYSA-N 2 0 342.443 2.383 10 0 EEAERP C[C@]1(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)CC[NH2+]C1 ZINC000262023679 463927515 /nfs/dbraw/zinc/92/75/15/463927515.db2.gz NJKYMVLVGOTUBO-SFHVURJKSA-N 2 0 335.517 2.118 10 0 EEAERP O=C(N1CC[NH+](CC2CC[NH2+]CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000262243904 463981189 /nfs/dbraw/zinc/98/11/89/463981189.db2.gz PHSXZIFPYYDQCH-UHFFFAOYSA-N 2 0 345.531 2.347 10 0 EEAERP C[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000568847617 468395304 /nfs/dbraw/zinc/39/53/04/468395304.db2.gz AHOLBGOSNBOGPU-QAPCUYQASA-N 2 0 329.488 2.347 10 0 EEAERP CN(c1ccccc1CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000179548577 464155429 /nfs/dbraw/zinc/15/54/29/464155429.db2.gz OEJDPFMHPCUSOZ-HXUWFJFHSA-N 2 0 342.531 2.497 10 0 EEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000263879192 464226009 /nfs/dbraw/zinc/22/60/09/464226009.db2.gz PIMHARPKTOPJAV-HNNXBMFYSA-N 2 0 331.460 2.383 10 0 EEAERP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000280989033 464289272 /nfs/dbraw/zinc/28/92/72/464289272.db2.gz WSWXHMWOAKSVLW-FCMAGTKHSA-N 2 0 344.499 2.417 10 0 EEAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246335512 464573417 /nfs/dbraw/zinc/57/34/17/464573417.db2.gz OOIACXYIULWJEB-CIQAELJKSA-N 2 0 336.524 2.421 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000247166458 464653813 /nfs/dbraw/zinc/65/38/13/464653813.db2.gz KOLQRVMRYXPXBN-IGKNDFSCSA-N 2 0 336.524 2.231 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(-n2cccn2)nc(N)n1 ZINC000274205747 464736817 /nfs/dbraw/zinc/73/68/17/464736817.db2.gz VLTXZHKSLZQNJV-GDBMZVCRSA-N 2 0 349.442 2.177 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000183094676 464795545 /nfs/dbraw/zinc/79/55/45/464795545.db2.gz WMMFKOUYVGREBH-ROUUACIJSA-N 2 0 336.524 2.234 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000183853919 464917927 /nfs/dbraw/zinc/91/79/27/464917927.db2.gz GHHKFISPLWVDRQ-UHFFFAOYSA-N 2 0 330.407 2.149 10 0 EEAERP COCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000299263829 465671756 /nfs/dbraw/zinc/67/17/56/465671756.db2.gz ZXPJVWXPDKPEAK-UHFFFAOYSA-N 2 0 345.487 2.077 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000340301121 465970269 /nfs/dbraw/zinc/97/02/69/465970269.db2.gz QEAAYVUZMLIUPA-QYZOEREBSA-N 2 0 344.503 2.413 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000349669719 466184327 /nfs/dbraw/zinc/18/43/27/466184327.db2.gz QRTALVXJGWUDCR-JZXOWHBKSA-N 2 0 336.524 2.233 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000363530646 466461362 /nfs/dbraw/zinc/46/13/62/466461362.db2.gz QZSYAZSGQNLSKH-KRWDZBQOSA-N 2 0 336.524 2.378 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358184907 466522222 /nfs/dbraw/zinc/52/22/22/466522222.db2.gz HKMDWGKCTMZRPQ-GOSISDBHSA-N 2 0 336.524 2.450 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000358192268 466529372 /nfs/dbraw/zinc/52/93/72/466529372.db2.gz PLIJWMZITNFDHV-IEBWSBKVSA-N 2 0 336.524 2.448 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000354503724 466614943 /nfs/dbraw/zinc/61/49/43/466614943.db2.gz HCPLHGFVYDAQDC-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CN(Cc1nc2ccccc2o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373214997 466730241 /nfs/dbraw/zinc/73/02/41/466730241.db2.gz HOIRKFDITIBBHN-INIZCTEOSA-N 2 0 328.460 2.428 10 0 EEAERP C1C[C@H]([C@@H]2CCC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)CO1 ZINC000423506135 466761090 /nfs/dbraw/zinc/76/10/90/466761090.db2.gz HREINGKKVRBDNT-RBLSTAKZSA-N 2 0 335.536 2.388 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417240375 466812873 /nfs/dbraw/zinc/81/28/73/466812873.db2.gz PKLXPNQZKLXJOC-WBVHZDCISA-N 2 0 332.492 2.496 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417243658 466813415 /nfs/dbraw/zinc/81/34/15/466813415.db2.gz WIWIDWBSKUPWJO-LPHOPBHVSA-N 2 0 336.524 2.282 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000417406870 466852164 /nfs/dbraw/zinc/85/21/64/466852164.db2.gz RWERTYYBQFFUHJ-ROUUACIJSA-N 2 0 330.476 2.032 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000417871101 466964410 /nfs/dbraw/zinc/96/44/10/466964410.db2.gz HAYQUHKEFHPDEC-NVXWUHKLSA-N 2 0 332.492 2.483 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993746 467015279 /nfs/dbraw/zinc/01/52/79/467015279.db2.gz OHCIMQHFODJHHN-WNRNVDISSA-N 2 0 348.535 2.280 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417997301 467017430 /nfs/dbraw/zinc/01/74/30/467017430.db2.gz UDCQVFDPNXKHOH-JEBQAFNWSA-N 2 0 346.475 2.010 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418031512 467028122 /nfs/dbraw/zinc/02/81/22/467028122.db2.gz KSBCESOFUGMNHO-WDSOQIARSA-N 2 0 346.519 2.440 10 0 EEAERP C[C@@]1(CNC(=O)N[C@@H](C[NH3+])C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048177 467034059 /nfs/dbraw/zinc/03/40/59/467034059.db2.gz VHTRCBWGIDOSHZ-HKUYNNGSSA-N 2 0 330.476 2.078 10 0 EEAERP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc2c1OCCO2 ZINC000424373796 467035232 /nfs/dbraw/zinc/03/52/32/467035232.db2.gz HESJOEOGROPLID-CQSZACIVSA-N 2 0 332.444 2.430 10 0 EEAERP C[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000371020261 467073818 /nfs/dbraw/zinc/07/38/18/467073818.db2.gz XSDIGRSVTWOFNN-AHRSYUTCSA-N 2 0 341.499 2.424 10 0 EEAERP [NH3+]CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418319316 467091786 /nfs/dbraw/zinc/09/17/86/467091786.db2.gz ANWLPZLAFFJQLI-MSOLQXFVSA-N 2 0 330.476 2.031 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418424990 467108435 /nfs/dbraw/zinc/10/84/35/467108435.db2.gz HLIVHJMUCDRSQP-GOSISDBHSA-N 2 0 332.492 2.450 10 0 EEAERP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418443341 467111264 /nfs/dbraw/zinc/11/12/64/467111264.db2.gz FTCOXEWPRROBCS-KRWDZBQOSA-N 2 0 332.492 2.450 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418456337 467113508 /nfs/dbraw/zinc/11/35/08/467113508.db2.gz FRYBHFWUJORDOI-QAPCUYQASA-N 2 0 330.476 2.476 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418579298 467130871 /nfs/dbraw/zinc/13/08/71/467130871.db2.gz RGDZTIIXFMPJFM-FUHWJXTLSA-N 2 0 332.492 2.066 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)CC1 ZINC000418603909 467134522 /nfs/dbraw/zinc/13/45/22/467134522.db2.gz XBOORRUBWXFHMP-BZSNNMDCSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418614649 467136217 /nfs/dbraw/zinc/13/62/17/467136217.db2.gz JJNTVUPZHPICQF-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000378165862 467216939 /nfs/dbraw/zinc/21/69/39/467216939.db2.gz KVNDBJLPPMXMIV-PMXSJFBMSA-N 2 0 343.515 2.350 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372717 467381960 /nfs/dbraw/zinc/38/19/60/467381960.db2.gz LUUSBTCHLLMWQA-JKSUJKDBSA-N 2 0 342.443 2.487 10 0 EEAERP c1ccc(N2CCOCC2)c(C[NH2+]CCCNCc2cccnc2)c1 ZINC000414871216 467442644 /nfs/dbraw/zinc/44/26/44/467442644.db2.gz DFDAPTTZGJKJKD-UHFFFAOYSA-N 2 0 340.471 2.188 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277676 467476793 /nfs/dbraw/zinc/47/67/93/467476793.db2.gz YGPQXQIMWPUONW-IEBWSBKVSA-N 2 0 349.519 2.124 10 0 EEAERP COc1c(C)cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000415134746 467499079 /nfs/dbraw/zinc/49/90/79/467499079.db2.gz WBYKXDUWXMWSJA-KRWDZBQOSA-N 2 0 329.448 2.199 10 0 EEAERP Cc1nccn1CCCN(C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000437957481 467558730 /nfs/dbraw/zinc/55/87/30/467558730.db2.gz VNDFXCVJGUTMKE-HZPDHXFCSA-N 2 0 335.496 2.486 10 0 EEAERP CC[NH+]1CCC[C@@H]1CNc1cncc(NC[C@H]2CCC[N@H+]2CC)n1 ZINC000450218505 467800930 /nfs/dbraw/zinc/80/09/30/467800930.db2.gz UEIHODHTVWLDBF-HZPDHXFCSA-N 2 0 332.496 2.269 10 0 EEAERP Cc1nc(N(C)C)nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000488392540 468084462 /nfs/dbraw/zinc/08/44/62/468084462.db2.gz FMVBEKMUVBRPPO-MRXNPFEDSA-N 2 0 332.496 2.194 10 0 EEAERP O[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399457 468159284 /nfs/dbraw/zinc/15/92/84/468159284.db2.gz QBEWBXLWZCCSJD-PMACEKPBSA-N 3 0 343.515 2.230 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594205336 468512152 /nfs/dbraw/zinc/51/21/52/468512152.db2.gz RJUKUPNPSWJIBC-VQTJNVASSA-N 2 0 331.504 2.040 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557667401 468645109 /nfs/dbraw/zinc/64/51/09/468645109.db2.gz LUVAOLCWWGKNFJ-LMMKCTJWSA-N 2 0 329.488 2.355 10 0 EEAERP CC1(C)OCC[C@@H]1[NH2+]Cc1cncc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000583422466 468694441 /nfs/dbraw/zinc/69/44/41/468694441.db2.gz MVVHLDMXPQDYRQ-IRXDYDNUSA-N 2 0 333.476 2.396 10 0 EEAERP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000561192559 468872950 /nfs/dbraw/zinc/87/29/50/468872950.db2.gz ZSIYUFCSVYZMSP-JFRXWTBNSA-N 2 0 344.503 2.418 10 0 EEAERP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000561192560 468873394 /nfs/dbraw/zinc/87/33/94/468873394.db2.gz ZSIYUFCSVYZMSP-NEPXVJNWSA-N 2 0 344.503 2.418 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000562630449 469011731 /nfs/dbraw/zinc/01/17/31/469011731.db2.gz GAZNKFFOQDKATR-AYHJJNSGSA-N 2 0 342.487 2.348 10 0 EEAERP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000615182551 469172712 /nfs/dbraw/zinc/17/27/12/469172712.db2.gz KMVRCICYOHMFHD-SLFFLAALSA-N 2 0 341.499 2.104 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655881 469323881 /nfs/dbraw/zinc/32/38/81/469323881.db2.gz ZCOPVLYMOFUVNN-OLZOCXBDSA-N 2 0 330.213 2.303 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655880 469324012 /nfs/dbraw/zinc/32/40/12/469324012.db2.gz ZCOPVLYMOFUVNN-CHWSQXEVSA-N 2 0 330.213 2.303 10 0 EEAERP COCC[N@H+](C)C[C@H](O)CNC(C)(C)c1nc2ccccc2s1 ZINC000625720126 469364296 /nfs/dbraw/zinc/36/42/96/469364296.db2.gz WTBQXVSXKPKKBY-CYBMUJFWSA-N 2 0 337.489 2.060 10 0 EEAERP CC[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000618555433 469387522 /nfs/dbraw/zinc/38/75/22/469387522.db2.gz XRLGZWMINHZYFO-OALUTQOASA-N 2 0 344.503 2.217 10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C[NH+]1CCCC1 ZINC000625944046 469444721 /nfs/dbraw/zinc/44/47/21/469444721.db2.gz DYYHLDHIJFOCNE-AWEZNQCLSA-N 2 0 332.448 2.022 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000617007257 469568720 /nfs/dbraw/zinc/56/87/20/469568720.db2.gz OYMUHNVRAWGEOC-MSOLQXFVSA-N 2 0 329.488 2.498 10 0 EEAERP C[NH+]1CCN(C[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398675 469642329 /nfs/dbraw/zinc/64/23/29/469642329.db2.gz MHWCMHAIPWCLRY-UXHICEINSA-N 2 0 344.547 2.438 10 0 EEAERP COC(=O)C1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1 ZINC000619654292 469659175 /nfs/dbraw/zinc/65/91/75/469659175.db2.gz CTHBKYHHUHHUBN-UHFFFAOYSA-N 2 0 328.416 2.399 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1(C)C ZINC000623475180 469668350 /nfs/dbraw/zinc/66/83/50/469668350.db2.gz DBJFNCFQZLRGAK-MSOLQXFVSA-N 2 0 329.488 2.498 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000626778466 469716309 /nfs/dbraw/zinc/71/63/09/469716309.db2.gz NJDAMOXYMJVKSQ-TUNPWDSISA-N 2 0 341.499 2.465 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000626920599 469754453 /nfs/dbraw/zinc/75/44/53/469754453.db2.gz FZYQOTWZTQMJHH-XHSDSOJGSA-N 2 0 334.464 2.246 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000626932496 469759787 /nfs/dbraw/zinc/75/97/87/469759787.db2.gz BCBPHCGMVBKPQK-GBESFXJTSA-N 2 0 346.519 2.379 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)Cc1ccccc1 ZINC000626933294 469761075 /nfs/dbraw/zinc/76/10/75/469761075.db2.gz JMQICTIIGXRVKD-QRQLOZEOSA-N 2 0 346.519 2.379 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000626957736 469768640 /nfs/dbraw/zinc/76/86/40/469768640.db2.gz YFSFRQGHFTVIJP-JQHSSLGASA-N 2 0 330.476 2.182 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000627002196 469785198 /nfs/dbraw/zinc/78/51/98/469785198.db2.gz SFAHQURNOLIRRZ-FHLIZLRMSA-N 2 0 345.491 2.047 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000627034831 469797343 /nfs/dbraw/zinc/79/73/43/469797343.db2.gz MMEBUWYKMOBZFS-QGWWYQLQSA-N 2 0 348.491 2.350 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000627167537 469832240 /nfs/dbraw/zinc/83/22/40/469832240.db2.gz IFMXFNBQEVRJBO-ZWKOTPCHSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000627203423 469843399 /nfs/dbraw/zinc/84/33/99/469843399.db2.gz WMJADJJPTNHUSV-RDJZCZTQSA-N 2 0 332.492 2.337 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[NH2+]1 ZINC000627206578 469844468 /nfs/dbraw/zinc/84/44/68/469844468.db2.gz HKHAJTXDLXZNPH-WQVCFCJDSA-N 2 0 338.883 2.382 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000624177184 469866545 /nfs/dbraw/zinc/86/65/45/469866545.db2.gz ZINWIAHNWSGRGI-UWHLTILDSA-N 2 0 343.515 2.350 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000624319728 469904953 /nfs/dbraw/zinc/90/49/53/469904953.db2.gz XSMDCKNRVBAGEJ-FUMNGEBKSA-N 2 0 332.488 2.417 10 0 EEAERP COc1cc(C)nc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000630961217 470038316 /nfs/dbraw/zinc/03/83/16/470038316.db2.gz NCHLZTFPWGBRJH-UHFFFAOYSA-N 2 0 327.432 2.158 10 0 EEAERP CN(c1ccccc1C[NH2+]CC[C@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000631215801 470095658 /nfs/dbraw/zinc/09/56/58/470095658.db2.gz AKDNTGHQBPELHH-KRWDZBQOSA-N 2 0 341.446 2.323 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C(F)F)ccc1F ZINC000621884094 470121836 /nfs/dbraw/zinc/12/18/36/470121836.db2.gz CQHSXDVZYAFTHZ-UHFFFAOYSA-N 2 0 331.382 2.329 10 0 EEAERP COc1cncc(/C=C/CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000645828565 470432099 /nfs/dbraw/zinc/43/20/99/470432099.db2.gz XNZYIZDFKFIFKW-NAASZUNDSA-N 2 0 344.503 2.205 10 0 EEAERP c1cnn(C2CC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC000639311847 470464590 /nfs/dbraw/zinc/46/45/90/470464590.db2.gz PYTHEWRMXZXDCD-UHFFFAOYSA-N 2 0 325.460 2.483 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000646192951 470560284 /nfs/dbraw/zinc/56/02/84/470560284.db2.gz RJTIGDGDIWDMPJ-IEBWSBKVSA-N 2 0 342.487 2.271 10 0 EEAERP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000649376930 470564936 /nfs/dbraw/zinc/56/49/36/470564936.db2.gz BQWAIAWTVUGRRZ-QGZVFWFLSA-N 2 0 330.476 2.146 10 0 EEAERP CC[NH+]1CCN(c2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647149026 470841037 /nfs/dbraw/zinc/84/10/37/470841037.db2.gz BTFYJEQDAYTYDV-INIZCTEOSA-N 2 0 327.432 2.303 10 0 EEAERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000650719523 470950052 /nfs/dbraw/zinc/95/00/52/470950052.db2.gz SLCQJQHDZPEKAL-UHFFFAOYSA-N 2 0 327.428 2.393 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000654565110 471073801 /nfs/dbraw/zinc/07/38/01/471073801.db2.gz HUKHGUNXARYPHE-YSHGAJCASA-N 2 0 344.503 2.289 10 0 EEAERP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)CO1 ZINC000657314067 471094718 /nfs/dbraw/zinc/09/47/18/471094718.db2.gz ZVHGUBUMBCKMMX-VQTJNVASSA-N 2 0 331.504 2.481 10 0 EEAERP FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657315939 471097224 /nfs/dbraw/zinc/09/72/24/471097224.db2.gz VBIJAHWHCRLWBN-ZDUSSCGKSA-N 2 0 339.365 2.241 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654659972 471117693 /nfs/dbraw/zinc/11/76/93/471117693.db2.gz NUHLXTRHWTUXPD-KDURUIRLSA-N 2 0 346.519 2.408 10 0 EEAERP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1O ZINC000657536980 471164005 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EEAERP CC1(C)CN(C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000652242005 471261289 /nfs/dbraw/zinc/26/12/89/471261289.db2.gz NDPQRGTXXNKLTP-UHFFFAOYSA-N 2 0 344.503 2.421 10 0 EEAERP CO[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000658075374 471264441 /nfs/dbraw/zinc/26/44/41/471264441.db2.gz XKJSWVXMFPGADZ-VDZJLULYSA-N 2 0 336.476 2.329 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000652323621 471272359 /nfs/dbraw/zinc/27/23/59/471272359.db2.gz LOQLJOQHKAKNKI-ZWKOTPCHSA-N 2 0 348.466 2.042 10 0 EEAERP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361672 471280251 /nfs/dbraw/zinc/28/02/51/471280251.db2.gz MCYWHUBXYURTIX-IWKCEXAMSA-N 2 0 349.519 2.137 10 0 EEAERP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CS1 ZINC000655720787 471456257 /nfs/dbraw/zinc/45/62/57/471456257.db2.gz GKONICNJOCNPLT-GDBMZVCRSA-N 2 0 341.565 2.487 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659032496 471476742 /nfs/dbraw/zinc/47/67/42/471476742.db2.gz QSFRMBCALWTJEG-QAPCUYQASA-N 2 0 346.475 2.343 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000653109766 471492670 /nfs/dbraw/zinc/49/26/70/471492670.db2.gz LVUBQSCSHQRFRD-HSALFYBXSA-N 2 0 341.499 2.470 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000666683646 471494467 /nfs/dbraw/zinc/49/44/67/471494467.db2.gz UXROKURINNTIFT-MRXNPFEDSA-N 2 0 345.491 2.092 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669575138 471563267 /nfs/dbraw/zinc/56/32/67/471563267.db2.gz ISNGMPDOVXLHNM-YYZRRKBYSA-N 2 0 348.535 2.425 10 0 EEAERP FC(F)(F)[C@H](C[NH2+]Cc1cccc2cnccc21)N1CC[NH2+]CC1 ZINC000666899036 471578482 /nfs/dbraw/zinc/57/84/82/471578482.db2.gz LHTPGSUXHKODEX-INIZCTEOSA-N 2 0 338.377 2.161 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000659444929 471632743 /nfs/dbraw/zinc/63/27/43/471632743.db2.gz CUHATZRNZYZEIC-CRAIPNDOSA-N 2 0 332.492 2.106 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000656706082 471814512 /nfs/dbraw/zinc/81/45/12/471814512.db2.gz YYAJBJWYRVOVKB-GOSISDBHSA-N 2 0 345.512 2.113 10 0 EEAERP C[C@H](CC[N@@H+]1CCC[C@@](O)(C2CC2)C1)[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661628563 471833998 /nfs/dbraw/zinc/83/39/98/471833998.db2.gz VQKNHIKTMQCOKC-UXPWSPDFSA-N 2 0 336.520 2.239 10 0 EEAERP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690201 471853791 /nfs/dbraw/zinc/85/37/91/471853791.db2.gz OKHKAQLZJLWIHB-IRXDYDNUSA-N 2 0 348.466 2.190 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)c2ccccc2)CC1 ZINC000667755709 471894225 /nfs/dbraw/zinc/89/42/25/471894225.db2.gz AZSDBANFICGEGW-SLFFLAALSA-N 2 0 329.488 2.132 10 0 EEAERP O=C(C[NH+]1CCC([C@@H]2CCCCO2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000661868492 471909708 /nfs/dbraw/zinc/90/97/08/471909708.db2.gz MMNJWXJILKKFTP-IBGZPJMESA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000654348418 471921687 /nfs/dbraw/zinc/92/16/87/471921687.db2.gz FGCJCTDJCNPJEM-BBWFWOEESA-N 2 0 348.491 2.446 10 0 EEAERP C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249160 472041692 /nfs/dbraw/zinc/04/16/92/472041692.db2.gz RBPOTJFDDRRUEE-SNVBAGLBSA-N 2 0 331.279 2.463 10 0 EEAERP c1cc2c(cc1[C@H]([NH2+]C[C@H]1CCC3(C[NH2+]C3)O1)C1CC1)OCCO2 ZINC000662281306 472055081 /nfs/dbraw/zinc/05/50/81/472055081.db2.gz JIPDNAZUYKGUOH-CRAIPNDOSA-N 2 0 330.428 2.020 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000668714654 485628087 /nfs/dbraw/zinc/62/80/87/485628087.db2.gz ARZUOJAJBGGZIG-MRXNPFEDSA-N 2 0 339.443 2.020 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000629596679 485738613 /nfs/dbraw/zinc/73/86/13/485738613.db2.gz TWJBLGAXRYSIKU-HDICACEKSA-N 2 0 335.879 2.278 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672754342 486186334 /nfs/dbraw/zinc/18/63/34/486186334.db2.gz FBTDQUJHQKRFHK-BPQIPLTHSA-N 2 0 330.476 2.043 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000415931438 528353618 /nfs/dbraw/zinc/35/36/18/528353618.db2.gz LWVGYSKRGHHWOI-OAHLLOKOSA-N 2 0 348.491 2.105 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000730731629 577052731 /nfs/dbraw/zinc/05/27/31/577052731.db2.gz IDJUTJWHDBRJOU-OWCLPIDISA-N 2 0 326.554 2.198 10 0 EEAERP COC(=O)c1ccc2c(cnn2CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000768501771 577557177 /nfs/dbraw/zinc/55/71/77/577557177.db2.gz WLFFNQOVFXBWGO-RDJZCZTQSA-N 2 0 342.443 2.197 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760484854 577663829 /nfs/dbraw/zinc/66/38/29/577663829.db2.gz SISOZKANIYNQDQ-GJZGRUSLSA-N 2 0 326.554 2.055 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261821233 681575154 /nfs/dbraw/zinc/57/51/54/681575154.db2.gz IJBZWWUGVNVWOK-KGLIPLIRSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2c(n1)CCCC2 ZINC000925040961 682659237 /nfs/dbraw/zinc/65/92/37/682659237.db2.gz LSGIFXCFBKSJJH-HZPDHXFCSA-N 2 0 331.508 2.039 10 0 EEAERP C[NH+](C)CCOc1cccc(-c2noc([C@@H]3C[NH2+]CC3(C)C)n2)c1 ZINC000904092774 694295866 /nfs/dbraw/zinc/29/58/66/694295866.db2.gz XVCFQJRXJAWERH-HNNXBMFYSA-N 2 0 330.432 2.390 10 0 EEAERP c1cc(N2CCC(C[NH2+][C@@H]3CCOC34CCOCC4)CC2)cc[nH+]1 ZINC000925300756 691482676 /nfs/dbraw/zinc/48/26/76/691482676.db2.gz PCQFOGCXHYNBMC-GOSISDBHSA-N 2 0 331.460 2.226 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n(C)n1 ZINC000924630184 692922398 /nfs/dbraw/zinc/92/23/98/692922398.db2.gz YXWBVEXVKZCMLQ-MJGOQNOKSA-N 2 0 347.551 2.055 10 0 EEAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000924703957 693220685 /nfs/dbraw/zinc/22/06/85/693220685.db2.gz IYTSWBQEDLBBJE-GOSISDBHSA-N 2 0 334.460 2.055 10 0 EEAERP C[NH+](C)CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899127968 693622696 /nfs/dbraw/zinc/62/26/96/693622696.db2.gz NJSFQJBOJKDRRS-CEXWTWQISA-N 2 0 344.503 2.148 10 0 EEAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485642458 1191876133 /nfs/dbraw/zinc/87/61/33/1191876133.db2.gz CMTHLVZKVROOOR-IRXDYDNUSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714373 1191913311 /nfs/dbraw/zinc/91/33/11/1191913311.db2.gz FXAJHSUXKLVOSN-YPMHNXCESA-N 2 0 344.912 2.265 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@@H]1CC1(Cl)Cl ZINC001480880430 1176695833 /nfs/dbraw/zinc/69/58/33/1176695833.db2.gz ZVXBMSDDBJAXHJ-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCCc2ccccc2)C1 ZINC001670725190 1177090649 /nfs/dbraw/zinc/09/06/49/1177090649.db2.gz XLIOGGZRJIJSJR-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP COc1ccc(CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001691423999 1178036242 /nfs/dbraw/zinc/03/62/42/1178036242.db2.gz WXODZFVDUIECIE-UHFFFAOYSA-N 2 0 347.503 2.160 10 0 EEAERP CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267071501 1178188362 /nfs/dbraw/zinc/18/83/62/1178188362.db2.gz HOZCLACFOBXNIC-SLTAFYQDSA-N 2 0 349.441 2.355 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001267080948 1178203607 /nfs/dbraw/zinc/20/36/07/1178203607.db2.gz GZHBLUXYWINCSN-JKSUJKDBSA-N 2 0 325.472 2.239 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001267116461 1178279442 /nfs/dbraw/zinc/27/94/42/1178279442.db2.gz BILKSVJKPONEJQ-QGZVFWFLSA-N 2 0 331.504 2.180 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccccn1 ZINC001267257791 1178627906 /nfs/dbraw/zinc/62/79/06/1178627906.db2.gz VNHSSJJDIASKTR-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1ccc(OCCC[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001267355527 1178816417 /nfs/dbraw/zinc/81/64/17/1178816417.db2.gz VEDMMWBGJINXPW-IBGZPJMESA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001691483844 1179048610 /nfs/dbraw/zinc/04/86/10/1179048610.db2.gz NREFXTXQAVJRBH-KSZLIROESA-N 2 0 335.467 2.128 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001267518385 1179242993 /nfs/dbraw/zinc/24/29/93/1179242993.db2.gz WRRVGGQEICJHSS-RTBURBONSA-N 2 0 347.503 2.298 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCN1Cc1cscn1 ZINC001481044955 1179623496 /nfs/dbraw/zinc/62/34/96/1179623496.db2.gz VSEYKKJAVOLJIU-CVEARBPZSA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC001481109909 1179759412 /nfs/dbraw/zinc/75/94/12/1179759412.db2.gz WBCZYOHRDZWCME-INIZCTEOSA-N 2 0 340.471 2.125 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481126640 1179836047 /nfs/dbraw/zinc/83/60/47/1179836047.db2.gz TYCUQOQRQSGQHL-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267744198 1180374085 /nfs/dbraw/zinc/37/40/85/1180374085.db2.gz IXHKCDPGJWFQLB-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481271659 1180577722 /nfs/dbraw/zinc/57/77/22/1180577722.db2.gz YTCMWJRCTDNSRA-SFHVURJKSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001267828480 1180595965 /nfs/dbraw/zinc/59/59/65/1180595965.db2.gz YXXQOHLWIKPRBA-STQMWFEESA-N 2 0 348.318 2.151 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1C[NH+](CCCF)C1 ZINC001409925062 1193044085 /nfs/dbraw/zinc/04/40/85/1193044085.db2.gz RMXXULAAIJCZPE-AWEZNQCLSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)OCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001481365169 1181132288 /nfs/dbraw/zinc/13/22/88/1181132288.db2.gz JZRWXAMQKAYEBF-RBUKOAKNSA-N 2 0 347.503 2.343 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001268169196 1181926825 /nfs/dbraw/zinc/92/68/25/1181926825.db2.gz ACHMRUFKTZLFTL-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccccc1 ZINC001268219032 1182030605 /nfs/dbraw/zinc/03/06/05/1182030605.db2.gz LIWRHVYXXBRORW-RTBURBONSA-N 2 0 331.504 2.444 10 0 EEAERP CCc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cn2cncc2C)cc1 ZINC001268386287 1182421433 /nfs/dbraw/zinc/42/14/33/1182421433.db2.gz UOSCFELBVCYGGG-HNNXBMFYSA-N 2 0 328.460 2.439 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2)C1 ZINC001268392267 1182457146 /nfs/dbraw/zinc/45/71/46/1182457146.db2.gz KZWCSAXFPQRGGM-WMZOPIPTSA-N 2 0 332.492 2.188 10 0 EEAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001481933774 1182985382 /nfs/dbraw/zinc/98/53/82/1182985382.db2.gz PIVXNBPGPSTIKF-QUCCMNQESA-N 2 0 346.519 2.413 10 0 EEAERP C[C@@](C[NH2+]C[C@H]1CCC(F)(F)C1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950138 1183018252 /nfs/dbraw/zinc/01/82/52/1183018252.db2.gz GSLMKJWAGAVDHU-YOEHRIQHSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001268556080 1183248082 /nfs/dbraw/zinc/24/80/82/1183248082.db2.gz MSKXIIAPDHEBPY-NSCUHMNNSA-N 2 0 342.487 2.028 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001482158580 1183477478 /nfs/dbraw/zinc/47/74/78/1183477478.db2.gz GEPQTTYQJCAQBQ-FUHWJXTLSA-N 2 0 331.504 2.487 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001268598095 1183499932 /nfs/dbraw/zinc/49/99/32/1183499932.db2.gz WEBPXAIZOVOJOA-PJHKVULZSA-N 2 0 337.508 2.082 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001268611823 1183524213 /nfs/dbraw/zinc/52/42/13/1183524213.db2.gz BCGRWHXGCNAISL-SNAWJCMRSA-N 2 0 341.499 2.470 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001268614828 1183531275 /nfs/dbraw/zinc/53/12/75/1183531275.db2.gz ZKSXAVVSOOBJLR-PYLYLYNFSA-N 2 0 337.414 2.069 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268753988 1183670217 /nfs/dbraw/zinc/67/02/17/1183670217.db2.gz YODBNRGHBWEXLX-CJNGLKHVSA-N 2 0 340.899 2.258 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c1ncccn1)[NH+]1CCCC1 ZINC001268962177 1183859289 /nfs/dbraw/zinc/85/92/89/1183859289.db2.gz OOWANKRLCIBDTP-IAGOWNOFSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269756006 1184589328 /nfs/dbraw/zinc/58/93/28/1184589328.db2.gz SLDRIAQLNFWIFA-PKOBYXMFSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)no1 ZINC001269982270 1184759730 /nfs/dbraw/zinc/75/97/30/1184759730.db2.gz VFQCTICRBMXGFL-ZBFHGGJFSA-N 2 0 336.480 2.184 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001270024598 1184793639 /nfs/dbraw/zinc/79/36/39/1184793639.db2.gz HHMWQMXIOKQQAF-KZNAEPCWSA-N 2 0 339.524 2.303 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001270244332 1184952077 /nfs/dbraw/zinc/95/20/77/1184952077.db2.gz BKIURDYXNITBAV-QGZVFWFLSA-N 2 0 335.467 2.345 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482284619 1185065130 /nfs/dbraw/zinc/06/51/30/1185065130.db2.gz PDIOMKVTNBGTBP-CRAIPNDOSA-N 2 0 332.492 2.199 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482284621 1185065193 /nfs/dbraw/zinc/06/51/93/1185065193.db2.gz PDIOMKVTNBGTBP-QAPCUYQASA-N 2 0 332.492 2.199 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCOCC)C2)C1 ZINC001270625158 1185239686 /nfs/dbraw/zinc/23/96/86/1185239686.db2.gz VOYUTHMOYVNTMH-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C(=O)CC[NH+](C)C ZINC001482324578 1185376001 /nfs/dbraw/zinc/37/60/01/1185376001.db2.gz DWGNAVQYRDDAIB-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354839 1185493524 /nfs/dbraw/zinc/49/35/24/1185493524.db2.gz USRGAIQWHZICPF-JWUWVAEESA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCOCC2)C1 ZINC001271063883 1185852902 /nfs/dbraw/zinc/85/29/02/1185852902.db2.gz FQUSOKOKWNXDEW-QGZVFWFLSA-N 2 0 349.519 2.084 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091943 1185875091 /nfs/dbraw/zinc/87/50/91/1185875091.db2.gz HIUZSXLIBYFBJB-PYUISTEWSA-N 2 0 329.488 2.478 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482460686 1185925156 /nfs/dbraw/zinc/92/51/56/1185925156.db2.gz GEDCYLSMHKWJHP-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482495003 1186395963 /nfs/dbraw/zinc/39/59/63/1186395963.db2.gz PIKDESGHTQAPRF-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]C/C=C/Cl ZINC001271751713 1186460843 /nfs/dbraw/zinc/46/08/43/1186460843.db2.gz NTFBWDZGRUMMSI-LPRNFTRESA-N 2 0 325.884 2.051 10 0 EEAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001271854474 1186555171 /nfs/dbraw/zinc/55/51/71/1186555171.db2.gz UFCLIFYCUQPISC-OTWHNJEPSA-N 2 0 333.520 2.299 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482547516 1186648099 /nfs/dbraw/zinc/64/80/99/1186648099.db2.gz JQEOLQNIZMJKRR-ZWKOTPCHSA-N 2 0 347.503 2.198 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccn2)C(C)C)C1 ZINC001482551029 1186658319 /nfs/dbraw/zinc/65/83/19/1186658319.db2.gz WDJCGVCWXVQGJK-IEBWSBKVSA-N 2 0 346.519 2.434 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482831981 1187752585 /nfs/dbraw/zinc/75/25/85/1187752585.db2.gz DBLKCLSGJJPFSP-CQSZACIVSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC001482845877 1187764455 /nfs/dbraw/zinc/76/44/55/1187764455.db2.gz HHHHLEJKHCSUNR-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482934991 1187855542 /nfs/dbraw/zinc/85/55/42/1187855542.db2.gz VPCXDXDPSFJRQN-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001483071061 1188422144 /nfs/dbraw/zinc/42/21/44/1188422144.db2.gz TYTPQBZWVGHWOD-YPQKKHBXSA-N 2 0 343.462 2.416 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl)C(=O)CC[NH+](C)C ZINC001691655772 1193590951 /nfs/dbraw/zinc/59/09/51/1193590951.db2.gz BHTSFGOBJVWBIN-CHWSQXEVSA-N 2 0 336.307 2.055 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001483197507 1189082935 /nfs/dbraw/zinc/08/29/35/1189082935.db2.gz LPINKBZBTJAHBT-VQIMIIECSA-N 2 0 347.503 2.410 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000905659032 1189830565 /nfs/dbraw/zinc/83/05/65/1189830565.db2.gz ACDCDELHFPZFRE-IAGOWNOFSA-N 2 0 349.548 2.023 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1cnc(C)s1 ZINC001409675061 1190173881 /nfs/dbraw/zinc/17/38/81/1190173881.db2.gz AJRRYSFPAJCRPW-XJKSGUPXSA-N 2 0 338.521 2.262 10 0 EEAERP COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C)ccc1C ZINC001409695781 1190205252 /nfs/dbraw/zinc/20/52/52/1190205252.db2.gz UTJOTCYXYGHXOI-INIZCTEOSA-N 2 0 335.492 2.280 10 0 EEAERP Cc1oncc1C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001409765810 1190257175 /nfs/dbraw/zinc/25/71/75/1190257175.db2.gz VRBZNSQWQYISIF-KRWDZBQOSA-N 2 0 348.491 2.376 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001483263289 1190288035 /nfs/dbraw/zinc/28/80/35/1190288035.db2.gz DQPSMJZCOBBZHV-KRWDZBQOSA-N 2 0 347.503 2.118 10 0 EEAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001483376168 1190417650 /nfs/dbraw/zinc/41/76/50/1190417650.db2.gz DJHUTMCBOWWHNT-WMZOPIPTSA-N 2 0 337.508 2.033 10 0 EEAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001483401288 1190444499 /nfs/dbraw/zinc/44/44/99/1190444499.db2.gz AQFMAABFNFPYMI-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@H](C[N@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410886 1190457175 /nfs/dbraw/zinc/45/71/75/1190457175.db2.gz QQCZLFFMCCPIGQ-KDOFPFPSSA-N 2 0 345.462 2.345 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001483443786 1190482421 /nfs/dbraw/zinc/48/24/21/1190482421.db2.gz QLOOHKPHWPDAAC-QZTJIDSGSA-N 2 0 339.524 2.019 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnccc1C ZINC001483469457 1190491294 /nfs/dbraw/zinc/49/12/94/1190491294.db2.gz REFUGCBQSBLDOC-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001272653515 1190964615 /nfs/dbraw/zinc/96/46/15/1190964615.db2.gz QNQCEBZLHUDTEZ-QGZVFWFLSA-N 2 0 332.492 2.058 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCOc2ccccc2)C1 ZINC001484037286 1191168771 /nfs/dbraw/zinc/16/87/71/1191168771.db2.gz KVMQZXYRJMAIBJ-AZUAARDMSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001484187141 1191264446 /nfs/dbraw/zinc/26/44/46/1191264446.db2.gz GHFCAIOFYUMCJM-UHFFFAOYSA-N 2 0 347.503 2.010 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cncs1)C2)C1CCC1 ZINC001484316006 1191300424 /nfs/dbraw/zinc/30/04/24/1191300424.db2.gz IJWOMRZAHPEHPY-DZKIICNBSA-N 2 0 348.516 2.097 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001484465806 1191369902 /nfs/dbraw/zinc/36/99/02/1191369902.db2.gz PXROCEBERMRREA-RTBURBONSA-N 2 0 344.503 2.379 10 0 EEAERP O=C(Cc1ncc[nH]1)N1CC[C@H](CC[NH2+]CCCc2ccccc2)C1 ZINC001484543337 1191403464 /nfs/dbraw/zinc/40/34/64/1191403464.db2.gz KXIRARUNDCGRKC-SFHVURJKSA-N 2 0 340.471 2.413 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484640636 1191450089 /nfs/dbraw/zinc/45/00/89/1191450089.db2.gz DVJLEKQMZKHAFI-JKSUJKDBSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC1CCOCC1 ZINC001484769506 1191512709 /nfs/dbraw/zinc/51/27/09/1191512709.db2.gz WMAZVEQIPDBTSI-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](NCc1ncc(Cl)s1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158040 1191673157 /nfs/dbraw/zinc/67/31/57/1191673157.db2.gz WUBMYEUWFHHLGV-QWRGUYRKSA-N 2 0 344.912 2.264 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485229251 1191698879 /nfs/dbraw/zinc/69/88/79/1191698879.db2.gz HXVTUOQYSKAYTF-OLZOCXBDSA-N 2 0 327.419 2.288 10 0 EEAERP Cc1ccc(C)c(OCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001485285535 1191716892 /nfs/dbraw/zinc/71/68/92/1191716892.db2.gz DMGFQVJBIFEWTM-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1cncc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001485312355 1191729928 /nfs/dbraw/zinc/72/99/28/1191729928.db2.gz GZNYUOBBUXLKGW-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cncc(C)c2)C1 ZINC001485341384 1191746164 /nfs/dbraw/zinc/74/61/64/1191746164.db2.gz HBOFTYWSPIFDEQ-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCO[C@@H](C)C1)C(=O)C[NH+]1CCCC1 ZINC001486379909 1193889709 /nfs/dbraw/zinc/88/97/09/1193889709.db2.gz SQHPGRJHDLSGTN-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1)OC ZINC001486437921 1193957023 /nfs/dbraw/zinc/95/70/23/1193957023.db2.gz OOSFFYTWGHTAMX-NXHRZFHOSA-N 2 0 341.540 2.214 10 0 EEAERP COc1cccc(C[NH+]2CCC([C@H](C)NC(=O)CC[NH+](C)C)CC2)c1 ZINC001486448144 1193962970 /nfs/dbraw/zinc/96/29/70/1193962970.db2.gz CMDXVNJNMAASLM-INIZCTEOSA-N 2 0 347.503 2.364 10 0 EEAERP O=C(Cc1c[nH]cn1)NCC1=CC[N@H+](CCCc2ccsc2)CC1 ZINC001486516922 1194023447 /nfs/dbraw/zinc/02/34/47/1194023447.db2.gz QBWFKOYXDNHNOH-UHFFFAOYSA-N 2 0 344.484 2.395 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001409984159 1196143815 /nfs/dbraw/zinc/14/38/15/1196143815.db2.gz VEKFFWAPARVFHO-HNNXBMFYSA-N 2 0 333.451 2.166 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001410308640 1197670841 /nfs/dbraw/zinc/67/08/41/1197670841.db2.gz HSECPBPTZORFHA-SJORKVTESA-N 2 0 339.499 2.437 10 0 EEAERP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc21 ZINC000872286237 1198129338 /nfs/dbraw/zinc/12/93/38/1198129338.db2.gz YCOSFQZPZQYHBH-VCBZYWHSSA-N 2 0 326.444 2.269 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)CC1(C)C ZINC000865814301 1198388904 /nfs/dbraw/zinc/38/89/04/1198388904.db2.gz IIODKZSJYNWJBZ-QGZVFWFLSA-N 2 0 330.476 2.174 10 0 EEAERP CCCSc1cncc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866010818 1198453720 /nfs/dbraw/zinc/45/37/20/1198453720.db2.gz ONOPUULPIOHQEB-HUUCEWRRSA-N 2 0 337.537 2.154 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001410969692 1198648168 /nfs/dbraw/zinc/64/81/68/1198648168.db2.gz CNWIMWGTNCZJIN-HOCLYGCPSA-N 2 0 327.488 2.293 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccns1)C(C)(C)C ZINC001411216189 1198925197 /nfs/dbraw/zinc/92/51/97/1198925197.db2.gz IRUNVZMKFGLZGU-GJZGRUSLSA-N 2 0 338.521 2.248 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C)c1 ZINC001411227248 1198937770 /nfs/dbraw/zinc/93/77/70/1198937770.db2.gz VSVOBCKTMCEGLH-FUHWJXTLSA-N 2 0 347.503 2.267 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280627265 1199025384 /nfs/dbraw/zinc/02/53/84/1199025384.db2.gz DQEVIQUHACZMKL-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000875295225 1199201912 /nfs/dbraw/zinc/20/19/12/1199201912.db2.gz NLAVQRBHVUFUHP-BZUAXINKSA-N 2 0 326.529 2.049 10 0 EEAERP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000870022505 1200411909 /nfs/dbraw/zinc/41/19/09/1200411909.db2.gz ULMUFHBBZPNSJR-QZTJIDSGSA-N 2 0 331.504 2.423 10 0 EEAERP CC(C)c1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870020473 1200412166 /nfs/dbraw/zinc/41/21/66/1200412166.db2.gz QMXVFVXGFQAHNK-HZPDHXFCSA-N 2 0 332.492 2.016 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870023058 1200412930 /nfs/dbraw/zinc/41/29/30/1200412930.db2.gz KDCQQHXZBSMUPM-IAGOWNOFSA-N 2 0 340.471 2.046 10 0 EEAERP Cc1ccccc1SCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024381 1200412948 /nfs/dbraw/zinc/41/29/48/1200412948.db2.gz AMAXJEFBBYEBMF-IAGOWNOFSA-N 2 0 349.544 2.285 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870866309 1200920792 /nfs/dbraw/zinc/92/07/92/1200920792.db2.gz RIOFHULSFLHYEI-ZDUSSCGKSA-N 2 0 336.505 2.214 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870896768 1200939077 /nfs/dbraw/zinc/93/90/77/1200939077.db2.gz NUNLYKUKIVUHNL-FDYSRKEFSA-N 2 0 327.472 2.252 10 0 EEAERP Cc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(OCC[NH+](C)C)c1 ZINC000868126062 1201748731 /nfs/dbraw/zinc/74/87/31/1201748731.db2.gz PFVWNXJAHIVYKL-RDJZCZTQSA-N 2 0 346.475 2.294 10 0 EEAERP CC(C)c1cnc(CNC/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001274251827 1204976995 /nfs/dbraw/zinc/97/69/95/1204976995.db2.gz AGSMUGRNYJABCR-AATRIKPKSA-N 2 0 348.491 2.434 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001274413927 1205026814 /nfs/dbraw/zinc/02/68/14/1205026814.db2.gz POMAFZUMIHAIRX-QWNKOJSDSA-N 2 0 344.503 2.417 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001274608268 1205096053 /nfs/dbraw/zinc/09/60/53/1205096053.db2.gz DWFAJXFNSJBOLQ-QDLOVBKTSA-N 2 0 343.462 2.414 10 0 EEAERP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCCCF ZINC001274644866 1205113442 /nfs/dbraw/zinc/11/34/42/1205113442.db2.gz SNRNYIDQMIDLEQ-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001275042236 1205242965 /nfs/dbraw/zinc/24/29/65/1205242965.db2.gz DUOYKWWQLKVQSE-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001275232942 1205286851 /nfs/dbraw/zinc/28/68/51/1205286851.db2.gz HVVOHNMOGAPNBA-JYPHPWERSA-N 2 0 329.488 2.054 10 0 EEAERP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001275251103 1205290805 /nfs/dbraw/zinc/29/08/05/1205290805.db2.gz OXPVGHGRLVBPJF-DOPNRYRRSA-N 2 0 330.476 2.286 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001275323177 1205308993 /nfs/dbraw/zinc/30/89/93/1205308993.db2.gz DCOOSGHENLEAFP-ALCCZGGFSA-N 2 0 327.900 2.489 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC001411781250 1205521274 /nfs/dbraw/zinc/52/12/74/1205521274.db2.gz CMCJBPVXIACXHJ-HOTGVXAUSA-N 2 0 333.476 2.320 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC001412498823 1205741612 /nfs/dbraw/zinc/74/16/12/1205741612.db2.gz DHCXNKZPXMEMMX-CGTJXYLNSA-N 2 0 347.503 2.077 10 0 EEAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001276226362 1205843655 /nfs/dbraw/zinc/84/36/55/1205843655.db2.gz DWSHAHMQLYBFGH-WMLDXEAASA-N 2 0 333.467 2.385 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC001276227362 1205843919 /nfs/dbraw/zinc/84/39/19/1205843919.db2.gz QWNVQBBIUVXFQU-LBPRGKRZSA-N 2 0 344.912 2.076 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cccc(Cl)n2)C1 ZINC001276227171 1205843993 /nfs/dbraw/zinc/84/39/93/1205843993.db2.gz NLHHZPUGVDSTPN-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)ccn2)CC1 ZINC000924690046 1206018886 /nfs/dbraw/zinc/01/88/86/1206018886.db2.gz MPLPJBSLCLIZDC-UYAOXDASSA-N 2 0 344.503 2.128 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000924928750 1206052221 /nfs/dbraw/zinc/05/22/21/1206052221.db2.gz ZGQZDGPKDLXWQH-MRKMAMSISA-N 2 0 328.378 2.366 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924972132 1206056676 /nfs/dbraw/zinc/05/66/76/1206056676.db2.gz WMTBVRNBWFGQPU-IGOJGBNBSA-N 2 0 332.488 2.404 10 0 EEAERP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000925490542 1206119323 /nfs/dbraw/zinc/11/93/23/1206119323.db2.gz OETGENHUIHXKCR-MRXNPFEDSA-N 2 0 339.443 2.040 10 0 EEAERP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925505620 1206120866 /nfs/dbraw/zinc/12/08/66/1206120866.db2.gz QFNDZVPDZCOBOZ-SQNIBIBYSA-N 2 0 345.535 2.088 10 0 EEAERP CC1(C)[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925562617 1206128268 /nfs/dbraw/zinc/12/82/68/1206128268.db2.gz IHKPGSCLBJCSEZ-QYZOEREBSA-N 2 0 328.504 2.412 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C12CCC2 ZINC000925573788 1206130316 /nfs/dbraw/zinc/13/03/16/1206130316.db2.gz QNLVZTITXKEKPG-ILOCAZANSA-N 2 0 325.456 2.003 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)nc2Cl)CC[NH2+]CC1 ZINC000925768220 1206152166 /nfs/dbraw/zinc/15/21/66/1206152166.db2.gz ZACZVOWEOLTWDK-CYBMUJFWSA-N 2 0 339.867 2.454 10 0 EEAERP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n(C)c1C ZINC000925769354 1206152467 /nfs/dbraw/zinc/15/24/67/1206152467.db2.gz PCUDNNNBCSDXNP-ZWKOTPCHSA-N 2 0 333.476 2.378 10 0 EEAERP COC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C1CCCC1 ZINC000925817228 1206157243 /nfs/dbraw/zinc/15/72/43/1206157243.db2.gz NVXCNQICZQTEGH-FQEVSTJZSA-N 2 0 331.504 2.387 10 0 EEAERP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000925832218 1206158451 /nfs/dbraw/zinc/15/84/51/1206158451.db2.gz BZSTWIMGDNJART-IEBWSBKVSA-N 2 0 331.504 2.398 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)CC12CC[NH2+]CC2 ZINC000925849364 1206160509 /nfs/dbraw/zinc/16/05/09/1206160509.db2.gz IQMGMFCLIYADOQ-CZUORRHYSA-N 2 0 330.428 2.045 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1N(C)C ZINC000925857273 1206161795 /nfs/dbraw/zinc/16/17/95/1206161795.db2.gz ZIQZHRHBLIIFSO-DZGCQCFKSA-N 2 0 349.450 2.228 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1nc2c(s1)CCCC2 ZINC000925859118 1206161965 /nfs/dbraw/zinc/16/19/65/1206161965.db2.gz VVVQETKTPBDSPB-CHWSQXEVSA-N 2 0 349.500 2.358 10 0 EEAERP CCCN(C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC[N@H+](C)C1 ZINC000925915418 1206167772 /nfs/dbraw/zinc/16/77/72/1206167772.db2.gz LYASJXJBOVFCQU-MSOLQXFVSA-N 2 0 347.507 2.200 10 0 EEAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000926186192 1206202304 /nfs/dbraw/zinc/20/23/04/1206202304.db2.gz MFRYSTRKWYWTRJ-VVLHAWIVSA-N 2 0 346.500 2.203 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000926613043 1206231200 /nfs/dbraw/zinc/23/12/00/1206231200.db2.gz CWCCHFRJSAMAHY-UFRUDQCGSA-N 2 0 329.488 2.055 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000930663011 1206573668 /nfs/dbraw/zinc/57/36/68/1206573668.db2.gz FFVBQRNZBJLRKN-KGLIPLIRSA-N 2 0 337.430 2.102 10 0 EEAERP CC(=O)[C@@](C)(O)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930863129 1206588458 /nfs/dbraw/zinc/58/84/58/1206588458.db2.gz UNBRVANBXLHREO-YRNRMSPPSA-N 2 0 348.487 2.068 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1C1CCC1 ZINC000931397254 1207370263 /nfs/dbraw/zinc/37/02/63/1207370263.db2.gz QGVUZBJGQQTENU-KRWDZBQOSA-N 2 0 347.507 2.096 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4C[C@H]5COC[C@H]5O4)C[C@H]3C2)cc1 ZINC000931747608 1207455113 /nfs/dbraw/zinc/45/51/13/1207455113.db2.gz TZBVMALYUFLHPH-JRSUCEMESA-N 2 0 342.483 2.244 10 0 EEAERP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000719925761 1213633869 /nfs/dbraw/zinc/63/38/69/1213633869.db2.gz PPFKLTUFCVTDIM-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@H]1CN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C1CCCC1 ZINC001413065054 1230370953 /nfs/dbraw/zinc/37/09/53/1230370953.db2.gz YGUDYFIQVMRRCS-GHTZIAJQSA-N 2 0 345.531 2.428 10 0 EEAERP CN1C[C@@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1=O ZINC000723534419 1230590419 /nfs/dbraw/zinc/59/04/19/1230590419.db2.gz ACBOHKJEVDQAOQ-HAGHYFMRSA-N 2 0 341.499 2.498 10 0 EEAERP CC(C)C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCOCC1 ZINC000902745695 1238382289 /nfs/dbraw/zinc/38/22/89/1238382289.db2.gz TVTHGNCAQVAYPX-IBGZPJMESA-N 2 0 325.541 2.445 10 0 EEAERP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCOCC1 ZINC000902794463 1238546762 /nfs/dbraw/zinc/54/67/62/1238546762.db2.gz WHIGBNZQABKUPS-ROUUACIJSA-N 2 0 339.524 2.005 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827075940 1249785785 /nfs/dbraw/zinc/78/57/85/1249785785.db2.gz IICOEHMNOZDUTI-DOMZBBRYSA-N 2 0 338.883 2.281 10 0 EEAERP C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)CC1CCOCC1 ZINC000903507023 1240721449 /nfs/dbraw/zinc/72/14/49/1240721449.db2.gz KBLHESNPOXDJJB-BGYRXZFFSA-N 2 0 335.536 2.484 10 0 EEAERP c1ccc(COC[C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903734919 1241767879 /nfs/dbraw/zinc/76/78/79/1241767879.db2.gz XKSDDNFMTUQLEW-VAMGGRTRSA-N 2 0 330.472 2.294 10 0 EEAERP O=C1CCCN1Cc1ccccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923518 1242516855 /nfs/dbraw/zinc/51/68/55/1242516855.db2.gz WCWMKYJASBCSCU-QNBRMCRTSA-N 2 0 327.472 2.429 10 0 EEAERP CC[C@H](OCC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903932274 1242552362 /nfs/dbraw/zinc/55/23/62/1242552362.db2.gz QBWXWGZPUINXJM-MJGOQNOKSA-N 2 0 343.475 2.460 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cnn1C ZINC000903932924 1242554714 /nfs/dbraw/zinc/55/47/14/1242554714.db2.gz IDSLFOXPBAKFJF-ZHALLVOQSA-N 2 0 334.508 2.127 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001490935361 1258490814 /nfs/dbraw/zinc/49/08/14/1258490814.db2.gz UKNMYJINIINQKL-XDQVBPFNSA-N 2 0 333.398 2.193 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C/C=C/Cl)CC[C@H]21 ZINC001490980616 1258531751 /nfs/dbraw/zinc/53/17/51/1258531751.db2.gz FJUFWMGCYWJMTE-IDSJHHPBSA-N 2 0 327.900 2.392 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CCCCC1 ZINC001491039445 1258596125 /nfs/dbraw/zinc/59/61/25/1258596125.db2.gz HTEHBJBEXJQWRT-VUEDLFODSA-N 2 0 327.900 2.488 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1nc2ccccc2o1 ZINC001491453757 1259090174 /nfs/dbraw/zinc/09/01/74/1259090174.db2.gz DGUUFRVDLZIFBN-GDBMZVCRSA-N 2 0 344.459 2.295 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266598560 1276577459 /nfs/dbraw/zinc/57/74/59/1276577459.db2.gz UOIKPIOEIOWRLW-LNLFQRSKSA-N 2 0 349.519 2.057 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)C1 ZINC000850358048 1277197506 /nfs/dbraw/zinc/19/75/06/1277197506.db2.gz ZYNISVUQNOUTLF-IBGZPJMESA-N 2 0 336.439 2.419 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001488948015 1290291366 /nfs/dbraw/zinc/29/13/66/1290291366.db2.gz KYOHAHBEWUQLCP-XJKSGUPXSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001490233299 1291049567 /nfs/dbraw/zinc/04/95/67/1291049567.db2.gz QWMNGVMWVVQAPB-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001490302590 1291136910 /nfs/dbraw/zinc/13/69/10/1291136910.db2.gz ITDYMQOWWLKEFB-DOTOQJQBSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001490302592 1291137706 /nfs/dbraw/zinc/13/77/06/1291137706.db2.gz ITDYMQOWWLKEFB-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cc(C)no1 ZINC001490324613 1291214998 /nfs/dbraw/zinc/21/49/98/1291214998.db2.gz IXDNIJWWJIPAIN-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C=C1CC[NH2+]CC1 ZINC000852883647 1292224523 /nfs/dbraw/zinc/22/45/23/1292224523.db2.gz MLBBRFQNZHKBIC-UHFFFAOYSA-N 2 0 337.414 2.165 10 0 EEAERP Cc1c(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccnc1F ZINC000862274840 1295779763 /nfs/dbraw/zinc/77/97/63/1295779763.db2.gz VJPNMLVEAUJMHM-UHFFFAOYSA-N 2 0 343.450 2.226 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)[NH+](C)C ZINC001276737330 1297114179 /nfs/dbraw/zinc/11/41/79/1297114179.db2.gz JPWKZMRSLRXZKK-OKYOBFRVSA-N 2 0 333.520 2.367 10 0 EEAERP CCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001276799586 1297860771 /nfs/dbraw/zinc/86/07/71/1297860771.db2.gz ISLIJOIZDQXPCP-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491164672 1299646257 /nfs/dbraw/zinc/64/62/57/1299646257.db2.gz XTXKLDTXBTUBCL-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001277763575 1304364929 /nfs/dbraw/zinc/36/49/29/1304364929.db2.gz MZIHWCHHSJLIDU-LPHOPBHVSA-N 2 0 347.503 2.367 10 0 EEAERP COCCCCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001277892179 1305026165 /nfs/dbraw/zinc/02/61/65/1305026165.db2.gz KNFLXOYEPBSUQC-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CCCC2)C1 ZINC001278273790 1308945097 /nfs/dbraw/zinc/94/50/97/1308945097.db2.gz ABXUWWFXGMKDTC-IIKMGHGCSA-N 2 0 327.900 2.345 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841927155 1315638816 /nfs/dbraw/zinc/63/88/16/1315638816.db2.gz HQCIPPMOEUMBJT-MAUKXSAKSA-N 2 0 332.492 2.060 10 0 EEAERP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000842472320 1315711646 /nfs/dbraw/zinc/71/16/46/1315711646.db2.gz WKDHRAHTAGSVFT-MAUKXSAKSA-N 2 0 331.460 2.488 10 0 EEAERP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001278689493 1317740612 /nfs/dbraw/zinc/74/06/12/1317740612.db2.gz CIYPHGPJEWUUBV-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001265630669 1323280712 /nfs/dbraw/zinc/28/07/12/1323280712.db2.gz PIOWFTNANGBZMN-ZDUSSCGKSA-N 2 0 346.302 2.229 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)C1)C1CCC1 ZINC001265911037 1323480864 /nfs/dbraw/zinc/48/08/64/1323480864.db2.gz ZPYJPJQICGOABW-KRWDZBQOSA-N 2 0 345.487 2.130 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001266029655 1323580052 /nfs/dbraw/zinc/58/00/52/1323580052.db2.gz VMGAAZWVRBLORI-UXHICEINSA-N 2 0 343.515 2.399 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1conc1C ZINC001266042769 1323592300 /nfs/dbraw/zinc/59/23/00/1323592300.db2.gz OKKCYLRTTYRCBS-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccns1 ZINC001266070744 1323626097 /nfs/dbraw/zinc/62/60/97/1323626097.db2.gz WYQGJQNHBOBUKV-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP O=C(NCCC[N@@H+](Cc1ccc(F)cc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001266168827 1323736918 /nfs/dbraw/zinc/73/69/18/1323736918.db2.gz GUDHZPFHLPYXEM-UHFFFAOYSA-N 2 0 345.462 2.392 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CCCc2ccccc2)CC1 ZINC001279628766 1323965303 /nfs/dbraw/zinc/96/53/03/1323965303.db2.gz NWWGJBQKEDNUCX-UHFFFAOYSA-N 2 0 329.488 2.319 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001280062071 1324072515 /nfs/dbraw/zinc/07/25/15/1324072515.db2.gz JXOQLKDZYRHRDO-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2nc(C)cs2)C1)[NH+](C)C ZINC001280096263 1324083437 /nfs/dbraw/zinc/08/34/37/1324083437.db2.gz UMFAZTHSSDVNCK-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143466 1324094380 /nfs/dbraw/zinc/09/43/80/1324094380.db2.gz VZADFWJFPVSAPV-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](C/C=C/Cl)CC2 ZINC001280394530 1324197649 /nfs/dbraw/zinc/19/76/49/1324197649.db2.gz PTLBXRIQCDWFJR-WEVVVXLNSA-N 2 0 327.900 2.395 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCC1 ZINC001280521912 1324273641 /nfs/dbraw/zinc/27/36/41/1324273641.db2.gz FTXPUQLCROMYGA-IRXDYDNUSA-N 2 0 339.524 2.039 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC001276552490 1324275379 /nfs/dbraw/zinc/27/53/79/1324275379.db2.gz JJWOWSKQACPPGR-RJOCJTBNSA-N 2 0 327.472 2.278 10 0 EEAERP CCCCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC001276593661 1324687401 /nfs/dbraw/zinc/68/74/01/1324687401.db2.gz NIWLSARMPAIHAO-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001281240419 1324913766 /nfs/dbraw/zinc/91/37/66/1324913766.db2.gz WNFQATHKPUVJRF-QGZVFWFLSA-N 2 0 337.508 2.082 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001282227092 1325656709 /nfs/dbraw/zinc/65/67/09/1325656709.db2.gz FTTMIGVHPNHUAX-ROUUACIJSA-N 2 0 347.503 2.261 10 0 EEAERP COCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001282737938 1325776260 /nfs/dbraw/zinc/77/62/60/1325776260.db2.gz CWIBWDAPVQMGBQ-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)COCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001284602853 1326626574 /nfs/dbraw/zinc/62/65/74/1326626574.db2.gz FGVVRSXWVDXBSA-IRXDYDNUSA-N 2 0 341.540 2.264 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)C[NH+]1CCCC1 ZINC001284652061 1326647368 /nfs/dbraw/zinc/64/73/68/1326647368.db2.gz DSWVUNFGCIMMCL-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCCC2CCC2)C1 ZINC001284764635 1326701916 /nfs/dbraw/zinc/70/19/16/1326701916.db2.gz HAGGZVQBVYLCQJ-ACBHZAAOSA-N 2 0 333.520 2.488 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(C)nc1 ZINC001584323972 1348729522 /nfs/dbraw/zinc/72/95/22/1348729522.db2.gz DUJMABGPXWOEPO-OEIFXAAASA-N 2 0 344.503 2.278 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001491827284 1330266009 /nfs/dbraw/zinc/26/60/09/1330266009.db2.gz YICNOIJOXYRJLZ-ZUTSKAEESA-N 2 0 334.291 2.228 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccon1)[NH+](C)C ZINC001492175820 1331053523 /nfs/dbraw/zinc/05/35/23/1331053523.db2.gz LYFGBOLXPYMEHL-IRXDYDNUSA-N 2 0 336.480 2.122 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001413830601 1331432922 /nfs/dbraw/zinc/43/29/22/1331432922.db2.gz KNJKEZFKTHVJFK-POAQFYNOSA-N 2 0 344.503 2.100 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H]1CCCC(F)(F)C1 ZINC001316815216 1331844825 /nfs/dbraw/zinc/84/48/25/1331844825.db2.gz IMSPZNFDVAZKNP-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)=CC[N@H+](C)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001316838858 1331925724 /nfs/dbraw/zinc/92/57/24/1331925724.db2.gz WNBDYBBCAKDFLT-UHFFFAOYSA-N 2 0 327.432 2.285 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001317161141 1332105666 /nfs/dbraw/zinc/10/56/66/1332105666.db2.gz AEAHPCPNFQXVCF-JKSUJKDBSA-N 2 0 335.517 2.071 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001317521277 1332280598 /nfs/dbraw/zinc/28/05/98/1332280598.db2.gz CAOVRNYMEVUFBN-YESZJQIVSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1N(C)C ZINC001317586977 1332310755 /nfs/dbraw/zinc/31/07/55/1332310755.db2.gz SQVXDXVJMRDSGD-IBGZPJMESA-N 2 0 346.519 2.173 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001317593581 1332315111 /nfs/dbraw/zinc/31/51/11/1332315111.db2.gz ZAXAPPOTVBTLOC-ZDUSSCGKSA-N 2 0 344.912 2.219 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ocnc1C)c1ccccc1 ZINC001317647301 1332346752 /nfs/dbraw/zinc/34/67/52/1332346752.db2.gz BYTCNBCQSXKZKH-GOSISDBHSA-N 2 0 344.459 2.224 10 0 EEAERP CC(C)n1ccc(C[N@H+](CCCNC(=O)[C@@H]2CC[NH+](C)C2)C(C)C)n1 ZINC001317708561 1332382530 /nfs/dbraw/zinc/38/25/30/1332382530.db2.gz HNJFMDMEHXGUBG-QGZVFWFLSA-N 2 0 349.523 2.132 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318153773 1332479985 /nfs/dbraw/zinc/47/99/85/1332479985.db2.gz AQDXNKFVUVHDMX-GOSISDBHSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCCC(F)(F)F)C2)CC[N@@H+]1C ZINC001318253236 1332497164 /nfs/dbraw/zinc/49/71/64/1332497164.db2.gz OYOKZFYLLZDWIO-HZSPNIEDSA-N 2 0 335.414 2.250 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)on1 ZINC001318828851 1332606132 /nfs/dbraw/zinc/60/61/32/1332606132.db2.gz VUTLFJGACLQTDK-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001318956454 1332629027 /nfs/dbraw/zinc/62/90/27/1332629027.db2.gz NGSYODBLZQCDCE-QAQDUYKDSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001318966581 1332630764 /nfs/dbraw/zinc/63/07/64/1332630764.db2.gz UQOTZPSIDCILPL-QAQDUYKDSA-N 2 0 339.524 2.303 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319280938 1332674566 /nfs/dbraw/zinc/67/45/66/1332674566.db2.gz AJRDZHBSIMFNHW-APWZRJJASA-N 2 0 331.504 2.085 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001319905706 1332795552 /nfs/dbraw/zinc/79/55/52/1332795552.db2.gz MNNOIVGMFPXLKL-CABCVRRESA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320464829 1332890335 /nfs/dbraw/zinc/89/03/35/1332890335.db2.gz UEKUFDFMGYSOTB-ZDUSSCGKSA-N 2 0 335.414 2.299 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001320476319 1332893032 /nfs/dbraw/zinc/89/30/32/1332893032.db2.gz MVGRMMWEQDFXTG-INIZCTEOSA-N 2 0 347.507 2.077 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001320862130 1332967002 /nfs/dbraw/zinc/96/70/02/1332967002.db2.gz GFTJHYMZEODWRD-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)C12CC[NH+](CC1)C2 ZINC001320891566 1332973319 /nfs/dbraw/zinc/97/33/19/1332973319.db2.gz LZIHUWWVIYCSAL-UHFFFAOYSA-N 2 0 345.487 2.038 10 0 EEAERP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320892084 1332973455 /nfs/dbraw/zinc/97/34/55/1332973455.db2.gz YSWILYFBGKOQJO-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1F ZINC001321199759 1333042875 /nfs/dbraw/zinc/04/28/75/1333042875.db2.gz KAZGPTSYJZOKLO-BDUNBXCCSA-N 2 0 349.450 2.081 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001321212265 1333046634 /nfs/dbraw/zinc/04/66/34/1333046634.db2.gz XHFJIVRBKLKRMG-WDPZBSBESA-N 2 0 329.488 2.487 10 0 EEAERP Cc1csc(CNC/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC001321249031 1333054505 /nfs/dbraw/zinc/05/45/05/1333054505.db2.gz HBTZWVOYRRDJCC-SREVYHEPSA-N 2 0 338.521 2.191 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C/C[NH2+]Cc2cccnc2)C1 ZINC001321248279 1333054627 /nfs/dbraw/zinc/05/46/27/1333054627.db2.gz AIMYDFMOUGRWFZ-VZSQWMKGSA-N 2 0 348.466 2.056 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ncccc1C ZINC001322532509 1333277954 /nfs/dbraw/zinc/27/79/54/1333277954.db2.gz ZELVOVWGVUIQCB-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001323000553 1333366676 /nfs/dbraw/zinc/36/66/76/1333366676.db2.gz OYUBLMIGSOKUPO-LZQZEXGQSA-N 2 0 329.488 2.054 10 0 EEAERP CC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1[NH2+]CCCF ZINC001323151715 1333398023 /nfs/dbraw/zinc/39/80/23/1333398023.db2.gz TTXHFSGUUIHTDD-IRXDYDNUSA-N 2 0 339.499 2.439 10 0 EEAERP COCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001326384717 1334080592 /nfs/dbraw/zinc/08/05/92/1334080592.db2.gz TWSLENWZMYVSQB-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001327903953 1334362143 /nfs/dbraw/zinc/36/21/43/1334362143.db2.gz NUYPUWZBJOZKPB-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330444915 1334845438 /nfs/dbraw/zinc/84/54/38/1334845438.db2.gz IYBRWEXPXDTYJJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001330668935 1334885139 /nfs/dbraw/zinc/88/51/39/1334885139.db2.gz ZKPBLRLDRFLATH-KONPQCLYSA-N 2 0 348.491 2.032 10 0 EEAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001331900343 1335670446 /nfs/dbraw/zinc/67/04/46/1335670446.db2.gz AFQHTAYXHICRQS-GOEBONIOSA-N 2 0 327.432 2.260 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332427030 1335822225 /nfs/dbraw/zinc/82/22/25/1335822225.db2.gz HSXCTOKCJWSHPY-CVEARBPZSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)c(C)n1 ZINC001480324960 1338002169 /nfs/dbraw/zinc/00/21/69/1338002169.db2.gz SBTUBGGLUWQYLH-GOSISDBHSA-N 2 0 332.492 2.121 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC001434431973 1341843497 /nfs/dbraw/zinc/84/34/97/1341843497.db2.gz YICHIIGOZZHNLU-UHFFFAOYSA-N 2 0 349.519 2.315 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)CC[N@@H+]1C ZINC001434862511 1341972858 /nfs/dbraw/zinc/97/28/58/1341972858.db2.gz WPPRSBBBYVMDRI-OWCLPIDISA-N 2 0 343.462 2.296 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(F)c1)CC2 ZINC001449016035 1342084940 /nfs/dbraw/zinc/08/49/40/1342084940.db2.gz QVCQADMQMYOKLY-HKUYNNGSSA-N 2 0 333.451 2.391 10 0 EEAERP CN(CC[NH2+]Cc1ccncc1Cl)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001567542352 1342782721 /nfs/dbraw/zinc/78/27/21/1342782721.db2.gz VOWHLEGTZXOFQF-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001569998073 1342993804 /nfs/dbraw/zinc/99/38/04/1342993804.db2.gz GXXIXWXHDOZJDJ-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP COCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001570895057 1343132852 /nfs/dbraw/zinc/13/28/52/1343132852.db2.gz MDUDZTAJXQFRHN-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001571700420 1343281308 /nfs/dbraw/zinc/28/13/08/1343281308.db2.gz BTXPFWAFIUVHQL-LJQANCHMSA-N 2 0 349.519 2.037 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001676481042 1357155792 /nfs/dbraw/zinc/15/57/92/1357155792.db2.gz OIAFJVYYOXGKOY-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001676975162 1357253605 /nfs/dbraw/zinc/25/36/05/1357253605.db2.gz NYUCECPCRIWXLZ-WMZOPIPTSA-N 2 0 347.478 2.339 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1cc(F)cc(F)c1)C1CCC1 ZINC001649436040 1353502614 /nfs/dbraw/zinc/50/26/14/1353502614.db2.gz SSKWNGCFLGDAOW-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475763 1354470438 /nfs/dbraw/zinc/47/04/38/1354470438.db2.gz QDQPJATXQUDDEC-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475760 1354470512 /nfs/dbraw/zinc/47/05/12/1354470512.db2.gz QDQPJATXQUDDEC-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660627577 1354503627 /nfs/dbraw/zinc/50/36/27/1354503627.db2.gz AFCVJXOMDPBDAK-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001661885648 1354717924 /nfs/dbraw/zinc/71/79/24/1354717924.db2.gz LPSIJQZENAMGIH-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(Cc1cnc[nH]1)N1CCCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001661950810 1354728101 /nfs/dbraw/zinc/72/81/01/1354728101.db2.gz ZNKVESQWSKYQIO-GOSISDBHSA-N 2 0 348.491 2.130 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001661972433 1354731276 /nfs/dbraw/zinc/73/12/76/1354731276.db2.gz VXRGRIVFUKBHOL-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325953 1354780582 /nfs/dbraw/zinc/78/05/82/1354780582.db2.gz WQULRFMKWPLPNH-QGZVFWFLSA-N 2 0 347.503 2.118 10 0 EEAERP CC(C)CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001673406775 1354853104 /nfs/dbraw/zinc/85/31/04/1354853104.db2.gz JFCBYXRBQBBNJH-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001666647019 1355559291 /nfs/dbraw/zinc/55/92/91/1355559291.db2.gz VPRCHVYFINQKQF-KRWDZBQOSA-N 2 0 343.515 2.229 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF)C1CCCCC1 ZINC001667738650 1355803095 /nfs/dbraw/zinc/80/30/95/1355803095.db2.gz OKHLSRHGSRWZAA-RDJZCZTQSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274404 1355913484 /nfs/dbraw/zinc/91/34/84/1355913484.db2.gz RPEAFIMXALMHKU-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001668820361 1356012057 /nfs/dbraw/zinc/01/20/57/1356012057.db2.gz DWNRHSQFRGTHKZ-SFFCAUCYSA-N 2 0 344.503 2.333 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863975 1356026694 /nfs/dbraw/zinc/02/66/94/1356026694.db2.gz BETMAUSQWAUKSB-XDXAGZTOSA-N 2 0 346.475 2.152 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883251 1356034229 /nfs/dbraw/zinc/03/42/29/1356034229.db2.gz NUISFNOSMYHBJC-FKDQEEMOSA-N 2 0 342.487 2.169 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cncc(F)c1 ZINC001669075317 1356084671 /nfs/dbraw/zinc/08/46/71/1356084671.db2.gz OMYYFSBJNHOFMA-PYTPGESOSA-N 2 0 348.466 2.246 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001669189316 1356120835 /nfs/dbraw/zinc/12/08/35/1356120835.db2.gz MTICJLOIKSIZIK-LLHWWHOWSA-N 2 0 341.499 2.464 10 0 EEAERP CN(C)[C@H](C(=O)NC/C=C/CNCc1cscn1)c1ccccc1 ZINC001669208765 1356125947 /nfs/dbraw/zinc/12/59/47/1356125947.db2.gz VSSRUWCCUXJPBT-LXXRFIIISA-N 2 0 344.484 2.208 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001669207397 1356126293 /nfs/dbraw/zinc/12/62/93/1356126293.db2.gz MVEDLVUZZHCJJK-QDLOVBKTSA-N 2 0 336.505 2.026 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669716330 1356198766 /nfs/dbraw/zinc/19/87/66/1356198766.db2.gz VEGIGJOFRPJOET-GOEBONIOSA-N 2 0 337.895 2.319 10 0 EEAERP CN(CCC[NH2+]Cc1cc(C(C)(C)C)on1)C(=O)C[NH+]1CCCC1 ZINC001670344008 1356323866 /nfs/dbraw/zinc/32/38/66/1356323866.db2.gz AJRFQYFWYUYVAH-UHFFFAOYSA-N 2 0 336.480 2.006 10 0 EEAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671893161 1356433903 /nfs/dbraw/zinc/43/39/03/1356433903.db2.gz ZKMLLHCBUTUULP-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CC/C=C\CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCOCC1 ZINC001671934780 1356441076 /nfs/dbraw/zinc/44/10/76/1356441076.db2.gz HXECWYPGENIFLM-WAYWQWQTSA-N 2 0 337.508 2.082 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCCCF)C[C@H]21 ZINC001672568135 1356556255 /nfs/dbraw/zinc/55/62/55/1356556255.db2.gz XYJCYPPVOGTEMO-DLBZAZTESA-N 2 0 327.488 2.389 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001672911549 1356613717 /nfs/dbraw/zinc/61/37/17/1356613717.db2.gz WHGREKFGVHQJOM-GBPPQEEDSA-N 2 0 341.499 2.480 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001673316883 1356665517 /nfs/dbraw/zinc/66/55/17/1356665517.db2.gz IKPZEXFKTHDLFR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001675198135 1356944539 /nfs/dbraw/zinc/94/45/39/1356944539.db2.gz WXMUKBSSVQQMHF-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C[C@H]1CCOC1 ZINC001675271280 1356956974 /nfs/dbraw/zinc/95/69/74/1356956974.db2.gz ZXFYIIDXWUDETM-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001675972948 1357079433 /nfs/dbraw/zinc/07/94/33/1357079433.db2.gz CJPACFBMLNCOIV-DOTOQJQBSA-N 2 0 332.492 2.106 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1 ZINC001698921475 1405163737 /nfs/dbraw/zinc/16/37/37/1405163737.db2.gz UACQFPBJBSPZHC-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](C[NH2+]CCCCC1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699409193 1405349630 /nfs/dbraw/zinc/34/96/30/1405349630.db2.gz UCAGWDGKUOMLQK-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000920505603 770738539 /nfs/dbraw/zinc/73/85/39/770738539.db2.gz BLAXZXHWSXZJPU-SFHVURJKSA-N 2 0 347.507 2.248 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3n[nH]cc32)(N2CCCCC2)CC1 ZINC000353527693 776309890 /nfs/dbraw/zinc/30/98/90/776309890.db2.gz LQSQJXGXWMVXNI-KRWDZBQOSA-N 2 0 331.508 2.327 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)C1 ZINC000911564831 787540828 /nfs/dbraw/zinc/54/08/28/787540828.db2.gz CYHGZHSWMJETKM-UHOSZYNNSA-N 2 0 327.472 2.206 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(C2CC2)ccn1 ZINC000823470572 787769012 /nfs/dbraw/zinc/76/90/12/787769012.db2.gz CDNVGQFGGJZEEI-AWEZNQCLSA-N 2 0 333.480 2.353 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCc2cnn(C)n2)CC1 ZINC000824435619 788169155 /nfs/dbraw/zinc/16/91/55/788169155.db2.gz XIZVLDPVANKGGE-KRWDZBQOSA-N 2 0 341.503 2.433 10 0 EEAERP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)C(=O)Nc1ccccc1 ZINC000923311322 789370066 /nfs/dbraw/zinc/37/00/66/789370066.db2.gz UTGQQDLZGNWUQN-WBVHZDCISA-N 2 0 331.460 2.104 10 0 EEAERP O[C@H](COc1ccccc1F)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923388922 789485573 /nfs/dbraw/zinc/48/55/73/789485573.db2.gz PPGZQVOWWSNEBE-SJORKVTESA-N 2 0 336.451 2.277 10 0 EEAERP COc1ccccc1NC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000923441498 789567431 /nfs/dbraw/zinc/56/74/31/789567431.db2.gz MAAXTGUHSLIFHA-PMPSAXMXSA-N 2 0 331.460 2.201 10 0 EEAERP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923456264 789572534 /nfs/dbraw/zinc/57/25/34/789572534.db2.gz XBTPQBLKGFOWLR-IAGOWNOFSA-N 2 0 345.487 2.460 10 0 EEAERP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923456266 789572986 /nfs/dbraw/zinc/57/29/86/789572986.db2.gz XBTPQBLKGFOWLR-IRXDYDNUSA-N 2 0 345.487 2.460 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000923450445 789581091 /nfs/dbraw/zinc/58/10/91/789581091.db2.gz HJUOTHJUFNSLCE-CQSZACIVSA-N 2 0 329.366 2.430 10 0 EEAERP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451780 789583760 /nfs/dbraw/zinc/58/37/60/789583760.db2.gz CWOAKWIEKAPRJE-IRXDYDNUSA-N 2 0 339.524 2.147 10 0 EEAERP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923498249 789676015 /nfs/dbraw/zinc/67/60/15/789676015.db2.gz KGDRTYUWAXHYSE-WMZOPIPTSA-N 2 0 347.503 2.049 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499156 789681326 /nfs/dbraw/zinc/68/13/26/789681326.db2.gz KQTKGRDNLZRMJC-HOTGVXAUSA-N 2 0 335.517 2.202 10 0 EEAERP C[C@H]1CN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC[C@@H]1C[NH3+] ZINC000923501455 789686122 /nfs/dbraw/zinc/68/61/22/789686122.db2.gz ZMXKLOOHYGLBGD-WDEREUQCSA-N 2 0 332.473 2.302 10 0 EEAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000913637914 794011185 /nfs/dbraw/zinc/01/11/85/794011185.db2.gz PFIIZXIZLUUYPU-GOSISDBHSA-N 2 0 339.483 2.253 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000713432092 794597508 /nfs/dbraw/zinc/59/75/08/794597508.db2.gz NOWDQLSHESKMKV-JRBPQWBISA-N 2 0 327.472 2.285 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)[NH+]2CCCC2)o1 ZINC000915978036 797464911 /nfs/dbraw/zinc/46/49/11/797464911.db2.gz QDKGGWKYOHMDOL-OAGGEKHMSA-N 2 0 334.464 2.117 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000916165444 797535358 /nfs/dbraw/zinc/53/53/58/797535358.db2.gz RQTAUMRJQLEHTL-QGZVFWFLSA-N 2 0 335.496 2.104 10 0 EEAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000922505525 801202201 /nfs/dbraw/zinc/20/22/01/801202201.db2.gz TUQIPIBGIXETMZ-CUYAVPTFSA-N 2 0 347.507 2.344 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C[C@@H]1CCCC(F)(F)C1 ZINC001566516806 1125689723 /nfs/dbraw/zinc/68/97/23/1125689723.db2.gz YWKQKNQQMLSKBW-OAHLLOKOSA-N 2 0 331.451 2.346 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(CF)cc1 ZINC001566575005 1125756697 /nfs/dbraw/zinc/75/66/97/1125756697.db2.gz QQENEJMZVANZLC-SFHVURJKSA-N 2 0 335.467 2.436 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC4CC4)[C@H]3C2(C)C)CC1 ZINC001436438344 1087822713 /nfs/dbraw/zinc/82/27/13/1087822713.db2.gz CVWFAVZFMVBYFL-GVDBMIGSSA-N 2 0 333.520 2.343 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001436791946 1088355243 /nfs/dbraw/zinc/35/52/43/1088355243.db2.gz AFPAKNNHBSUYOX-GDBMZVCRSA-N 2 0 325.472 2.095 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436794814 1088362938 /nfs/dbraw/zinc/36/29/38/1088362938.db2.gz YTGCMDRNINGIFW-CVEARBPZSA-N 2 0 336.505 2.000 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]Cc2ccsc2)C2CC2)CC1 ZINC001436812990 1088401274 /nfs/dbraw/zinc/40/12/74/1088401274.db2.gz HDODRMFEVBEVGH-KRWDZBQOSA-N 2 0 335.517 2.464 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1c(F)cccc1F ZINC001436963584 1088654967 /nfs/dbraw/zinc/65/49/67/1088654967.db2.gz HWNCYPHRCNPELJ-RWMBFGLXSA-N 2 0 325.403 2.214 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)O1 ZINC001436979054 1088679836 /nfs/dbraw/zinc/67/98/36/1088679836.db2.gz OYTVIEKPTGLANC-BDXSIMOUSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C2)sn1 ZINC001437068031 1088998044 /nfs/dbraw/zinc/99/80/44/1088998044.db2.gz SHDWIRVHUHUTQB-HUUCEWRRSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@H+](CCC(F)(F)F)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001437341013 1089538066 /nfs/dbraw/zinc/53/80/66/1089538066.db2.gz STNLBHJGOINQEX-CABCVRRESA-N 2 0 347.425 2.203 10 0 EEAERP COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001437344012 1089546224 /nfs/dbraw/zinc/54/62/24/1089546224.db2.gz CWVUPZLRFGGYMF-SFHVURJKSA-N 2 0 347.503 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001437354482 1089576293 /nfs/dbraw/zinc/57/62/93/1089576293.db2.gz UBWNHAIUJBQICT-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001437556592 1090023069 /nfs/dbraw/zinc/02/30/69/1090023069.db2.gz OAWYCYXYNBRSHG-CRAIPNDOSA-N 2 0 335.492 2.390 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCC(F)(F)F ZINC001437680630 1090215576 /nfs/dbraw/zinc/21/55/76/1090215576.db2.gz NNVFUZBMLXSRHO-KBPBESRZSA-N 2 0 335.414 2.394 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001437728958 1090284149 /nfs/dbraw/zinc/28/41/49/1090284149.db2.gz ROBYPNBNHNPXLI-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cccnc1 ZINC001437765988 1090345596 /nfs/dbraw/zinc/34/55/96/1090345596.db2.gz UJBSMSJLNNUUOM-RBUKOAKNSA-N 2 0 344.503 2.427 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001437936720 1090529605 /nfs/dbraw/zinc/52/96/05/1090529605.db2.gz FDNHCRUGVAUOCL-IAGOWNOFSA-N 2 0 347.478 2.496 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001438242969 1090724217 /nfs/dbraw/zinc/72/42/17/1090724217.db2.gz PPNODUJDCLNFJQ-XLIONFOSSA-N 2 0 343.515 2.276 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cccnc1C ZINC001438308408 1090786938 /nfs/dbraw/zinc/78/69/38/1090786938.db2.gz XMQCEUSZYWMFEY-ROUUACIJSA-N 2 0 332.492 2.247 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001438331208 1090805825 /nfs/dbraw/zinc/80/58/25/1090805825.db2.gz ONISPQYZYZNUAT-HIFRSBDPSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccncc1C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001438614638 1091103754 /nfs/dbraw/zinc/10/37/54/1091103754.db2.gz TYSCIKDMRNWLJK-UHFFFAOYSA-N 2 0 342.487 2.004 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001438661994 1091150988 /nfs/dbraw/zinc/15/09/88/1091150988.db2.gz JSOGXKXBISUKBD-INIZCTEOSA-N 2 0 344.503 2.263 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438707389 1091219543 /nfs/dbraw/zinc/21/95/43/1091219543.db2.gz FKDWWLWFOUYRKZ-SJORKVTESA-N 2 0 346.519 2.031 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001438733089 1091277349 /nfs/dbraw/zinc/27/73/49/1091277349.db2.gz KIWZFRCSNXTCHD-SFHVURJKSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001438754596 1091316505 /nfs/dbraw/zinc/31/65/05/1091316505.db2.gz PEHKDYNBUOQSFM-SJORKVTESA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001438773099 1091360942 /nfs/dbraw/zinc/36/09/42/1091360942.db2.gz MXIRFPZQSYEYPV-XWJOTYRJSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(C)s1 ZINC001438787532 1091387221 /nfs/dbraw/zinc/38/72/21/1091387221.db2.gz CEKNJQPNMRBFFT-ZBFHGGJFSA-N 2 0 338.521 2.085 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001438800274 1091405522 /nfs/dbraw/zinc/40/55/22/1091405522.db2.gz CTKATMBUWRQICC-IAGOWNOFSA-N 2 0 339.524 2.016 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC(C)(C)C1 ZINC001438807501 1091418026 /nfs/dbraw/zinc/41/80/26/1091418026.db2.gz FMWYBJPNJYBRID-MSOLQXFVSA-N 2 0 335.536 2.495 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccn1)C(C)C)[NH+]1CCCC1 ZINC001438845312 1091482401 /nfs/dbraw/zinc/48/24/01/1091482401.db2.gz GHTXUGCTOUKYCQ-RTBURBONSA-N 2 0 346.519 2.432 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001438962465 1091655767 /nfs/dbraw/zinc/65/57/67/1091655767.db2.gz MUSXXLVFGPBNIM-WCQYABFASA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001439257058 1091907648 /nfs/dbraw/zinc/90/76/48/1091907648.db2.gz XSECNXVDTIMKNN-KXBFYZLASA-N 2 0 335.467 2.493 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1F ZINC001439484053 1092291644 /nfs/dbraw/zinc/29/16/44/1092291644.db2.gz KWZVZFUTNCKNBD-VQIMIIECSA-N 2 0 347.478 2.460 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001439517316 1092362870 /nfs/dbraw/zinc/36/28/70/1092362870.db2.gz RWALEWKMWTZWSP-HOCLYGCPSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H]([C@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300980 1092469836 /nfs/dbraw/zinc/46/98/36/1092469836.db2.gz ZUWSUPOPHBDSFU-SJLPKXTDSA-N 2 0 348.491 2.138 10 0 EEAERP COCC[N@H+](CCC(C)C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001446305373 1092478975 /nfs/dbraw/zinc/47/89/75/1092478975.db2.gz HGLZGCGNMLOGIP-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1noc(C)c1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001439608592 1092514604 /nfs/dbraw/zinc/51/46/04/1092514604.db2.gz SZRXSWYNIMRWOT-WMLDXEAASA-N 2 0 348.491 2.014 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001439783214 1092739168 /nfs/dbraw/zinc/73/91/68/1092739168.db2.gz KMPJNYVRAIIUIL-SJORKVTESA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001439904869 1092970331 /nfs/dbraw/zinc/97/03/31/1092970331.db2.gz SRJCPXZKIZKXIE-WMZOPIPTSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C)(CNC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001439915196 1092991419 /nfs/dbraw/zinc/99/14/19/1092991419.db2.gz DVQXEXMSLDYFEM-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001439946566 1093057459 /nfs/dbraw/zinc/05/74/59/1093057459.db2.gz CMJZVMGWDDWYFT-KRWDZBQOSA-N 2 0 343.462 2.346 10 0 EEAERP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)n1ccnc1 ZINC001440304203 1093431116 /nfs/dbraw/zinc/43/11/16/1093431116.db2.gz MBPBXEQOCBPISX-NXOAAHMSSA-N 2 0 348.491 2.134 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001440344393 1093494684 /nfs/dbraw/zinc/49/46/84/1093494684.db2.gz RAQDWEWWNLOGJW-BTKBIYKCSA-N 2 0 325.884 2.099 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001448502754 1093529719 /nfs/dbraw/zinc/52/97/19/1093529719.db2.gz OABHTVOFCCTMIU-WDSOQIARSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)c(C)o1 ZINC001440407006 1093597648 /nfs/dbraw/zinc/59/76/48/1093597648.db2.gz WWNXXZBNBXDTPN-JKSUJKDBSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001440426924 1093626848 /nfs/dbraw/zinc/62/68/48/1093626848.db2.gz IXXYORXBDZAXRT-SJORKVTESA-N 2 0 348.491 2.280 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cccnc1 ZINC001440462499 1093682962 /nfs/dbraw/zinc/68/29/62/1093682962.db2.gz NBBFQZWSGDRGBK-CEXWTWQISA-N 2 0 344.503 2.425 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)C[C@H]1CCCCO1 ZINC001440519079 1093769718 /nfs/dbraw/zinc/76/97/18/1093769718.db2.gz OTHSOYAAMMBGEQ-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001448730707 1093802008 /nfs/dbraw/zinc/80/20/08/1093802008.db2.gz HWDOJRYQXIQIRH-CYBMUJFWSA-N 2 0 339.430 2.243 10 0 EEAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)OC ZINC001440612108 1093878497 /nfs/dbraw/zinc/87/84/97/1093878497.db2.gz AFRCUARZGRMTIM-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)C4(C[NH+](C)C)CC4)CCC[C@H]23)C1 ZINC001449014332 1094015110 /nfs/dbraw/zinc/01/51/10/1094015110.db2.gz ONIIDWPISRHXFE-TXTJOAKRSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CC2)CN1C(=O)CC[NH+](C)C ZINC001449033622 1094045856 /nfs/dbraw/zinc/04/58/56/1094045856.db2.gz TWYJXFBPFGOVBP-RDJZCZTQSA-N 2 0 345.487 2.259 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1c(C)nsc1C ZINC001440844732 1094102360 /nfs/dbraw/zinc/10/23/60/1094102360.db2.gz DOUQHGWFKVLKLF-RYUDHWBXSA-N 2 0 326.510 2.085 10 0 EEAERP Cc1cccnc1C[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001440939623 1094191648 /nfs/dbraw/zinc/19/16/48/1094191648.db2.gz XAUKVGWWNZEIMV-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)o1 ZINC001449330107 1094281391 /nfs/dbraw/zinc/28/13/91/1094281391.db2.gz VVMCYTBYUUSTGM-MRXNPFEDSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001441199147 1094559725 /nfs/dbraw/zinc/55/97/25/1094559725.db2.gz SZMURILUCPLQDM-LZQZEXGQSA-N 2 0 329.488 2.320 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441435779 1095044397 /nfs/dbraw/zinc/04/43/97/1095044397.db2.gz DYDGDCCOAUGZQZ-RBUKOAKNSA-N 2 0 344.503 2.283 10 0 EEAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C)oc1C)[NH+](C)C ZINC001441438869 1095056330 /nfs/dbraw/zinc/05/63/30/1095056330.db2.gz ZYXPFMACGBWLFE-YCXXCVGLSA-N 2 0 348.491 2.243 10 0 EEAERP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1)[NH+](C)C ZINC001441447475 1095081647 /nfs/dbraw/zinc/08/16/47/1095081647.db2.gz QGLLWNGMCPRPMK-IPQPSQTFSA-N 2 0 344.503 2.279 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001441463567 1095119608 /nfs/dbraw/zinc/11/96/08/1095119608.db2.gz DPWAVXFRNMSNLB-PKOBYXMFSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001441847195 1095929073 /nfs/dbraw/zinc/92/90/73/1095929073.db2.gz VPTGKAAVTPEQJJ-ZDUSSCGKSA-N 2 0 336.480 2.185 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001441861519 1095964949 /nfs/dbraw/zinc/96/49/49/1095964949.db2.gz LSPZCMFMJKTMEZ-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)s2)C(C)(C)C1 ZINC001441938573 1096132422 /nfs/dbraw/zinc/13/24/22/1096132422.db2.gz SGJJCDIICGRDSX-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001442127573 1096366357 /nfs/dbraw/zinc/36/63/57/1096366357.db2.gz VUBJPLORVGDYME-MSOLQXFVSA-N 2 0 341.540 2.455 10 0 EEAERP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001442256716 1096557979 /nfs/dbraw/zinc/55/79/79/1096557979.db2.gz HHZWHNXQMQVXCK-UHFFFAOYSA-N 2 0 333.476 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](CC[C@@H](C)F)CC2)CC1 ZINC001442264805 1096568429 /nfs/dbraw/zinc/56/84/29/1096568429.db2.gz BUENCOMKMHIEKQ-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cn1 ZINC001442361233 1096683978 /nfs/dbraw/zinc/68/39/78/1096683978.db2.gz WUJJHAJCZREVEL-RHSMWYFYSA-N 2 0 336.455 2.080 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001442864821 1097258665 /nfs/dbraw/zinc/25/86/65/1097258665.db2.gz NUKHYOLBUVCWPB-WBVHZDCISA-N 2 0 348.491 2.050 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001442911929 1097318180 /nfs/dbraw/zinc/31/81/80/1097318180.db2.gz WCFDJQPFHUIZEU-QFBILLFUSA-N 2 0 329.488 2.452 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001442914824 1097323792 /nfs/dbraw/zinc/32/37/92/1097323792.db2.gz XFGJVUVWIRDIRP-QGZVFWFLSA-N 2 0 342.487 2.448 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443266592 1097747054 /nfs/dbraw/zinc/74/70/54/1097747054.db2.gz GVTNDMOMDXMRSY-FUHWJXTLSA-N 2 0 347.478 2.414 10 0 EEAERP CC[C@@H](C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001443270009 1097751561 /nfs/dbraw/zinc/75/15/61/1097751561.db2.gz VOABNHZHCZVJFT-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C[NH+]2CC(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001443648169 1098144879 /nfs/dbraw/zinc/14/48/79/1098144879.db2.gz AVTQEWYKUVFBPH-HZPDHXFCSA-N 2 0 345.487 2.116 10 0 EEAERP CC[C@H](C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1)OC ZINC001479501112 1098568598 /nfs/dbraw/zinc/56/85/98/1098568598.db2.gz IRATXWTYCLKJKM-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCOC(C)C)C1 ZINC001479692482 1098757943 /nfs/dbraw/zinc/75/79/43/1098757943.db2.gz RYNMIAHXVMBHQE-KRWDZBQOSA-N 2 0 327.513 2.114 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001479707185 1098782135 /nfs/dbraw/zinc/78/21/35/1098782135.db2.gz VVZFBFPQAGIBIV-SQNIBIBYSA-N 2 0 339.524 2.255 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)Cc1ocnc1C ZINC001479846580 1099141143 /nfs/dbraw/zinc/14/11/43/1099141143.db2.gz LTMVNMFRAIQZQT-UHFFFAOYSA-N 2 0 348.491 2.187 10 0 EEAERP CCN(CCCNC(=O)C12CCC[NH+]1CCC2)Cc1nccs1 ZINC001479848257 1099143559 /nfs/dbraw/zinc/14/35/59/1099143559.db2.gz NCTUBEUHTDHQGW-UHFFFAOYSA-N 2 0 336.505 2.100 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1conc1C ZINC001479856653 1099159342 /nfs/dbraw/zinc/15/93/42/1099159342.db2.gz XRSAQYAXZYOKCP-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001479907068 1099297272 /nfs/dbraw/zinc/29/72/72/1099297272.db2.gz HWTJTWWBJPMVNQ-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479953462 1099387426 /nfs/dbraw/zinc/38/74/26/1099387426.db2.gz PRUDZMHWHZVVAD-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC12CC[NH+](C/C=C/Cl)CC2 ZINC001479981654 1099436081 /nfs/dbraw/zinc/43/60/81/1099436081.db2.gz QUYFEDIWONHNPQ-QKNOVVFDSA-N 2 0 345.890 2.390 10 0 EEAERP O=C(NC[C@H]([NH2+]CC[C@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001480030912 1099520054 /nfs/dbraw/zinc/52/00/54/1099520054.db2.gz NEGOUHYRYSDUCQ-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444704098 1099561338 /nfs/dbraw/zinc/56/13/38/1099561338.db2.gz FIDRTAUALXUPEN-MAUKXSAKSA-N 2 0 335.467 2.434 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(Cl)c1F)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444716247 1099578939 /nfs/dbraw/zinc/57/89/39/1099578939.db2.gz CKPLLDANCDNAJC-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP Cc1ccc(CC[NH2+][C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001480060669 1099587456 /nfs/dbraw/zinc/58/74/56/1099587456.db2.gz ULTRWJUMFWSDLB-UYAOXDASSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001480064565 1099594453 /nfs/dbraw/zinc/59/44/53/1099594453.db2.gz BTWISPOCSSNANR-FUHWJXTLSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001480157687 1099728651 /nfs/dbraw/zinc/72/86/51/1099728651.db2.gz XVUSMKAHGZRWET-QAQDUYKDSA-N 2 0 332.492 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCOC(C)C)CC[C@@H]21 ZINC001480187379 1099780895 /nfs/dbraw/zinc/78/08/95/1099780895.db2.gz CBQGLUYWZSQIHG-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001480209170 1099817383 /nfs/dbraw/zinc/81/73/83/1099817383.db2.gz FCDJQUKFIHOSEA-IRBPBCMDSA-N 2 0 346.302 2.418 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480224775 1099845359 /nfs/dbraw/zinc/84/53/59/1099845359.db2.gz UKHSPBGLFPKQJF-OKILXGFUSA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001480238361 1099869605 /nfs/dbraw/zinc/86/96/05/1099869605.db2.gz RVISUCZYSQRQCE-GASCZTMLSA-N 2 0 325.403 2.042 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C(C)C)o1 ZINC001444907837 1099975352 /nfs/dbraw/zinc/97/53/52/1099975352.db2.gz YWKHBEKQQLZKMD-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001480331201 1100086897 /nfs/dbraw/zinc/08/68/97/1100086897.db2.gz KVUBYSWCLXFVMB-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCOC)C1 ZINC001480358884 1100130923 /nfs/dbraw/zinc/13/09/23/1100130923.db2.gz YBVIMMRUQMXBBQ-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001480571989 1100415626 /nfs/dbraw/zinc/41/56/26/1100415626.db2.gz QFAMPKWKQHYAKE-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1Cl ZINC001480592295 1100441575 /nfs/dbraw/zinc/44/15/75/1100441575.db2.gz ZIWAYESBAFCMNM-GFCCVEGCSA-N 2 0 327.831 2.169 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001495137491 1100808097 /nfs/dbraw/zinc/80/80/97/1100808097.db2.gz LLPHDUMIRYJPPT-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccn(CC)n2)C[C@H]1C ZINC001446417170 1100827744 /nfs/dbraw/zinc/82/77/44/1100827744.db2.gz JSUCKLFNEFHDLN-SJORKVTESA-N 2 0 349.523 2.104 10 0 EEAERP Cc1cc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CCCCC2)no1 ZINC001496327951 1100923443 /nfs/dbraw/zinc/92/34/43/1100923443.db2.gz WMGHJKZJVGLQTQ-SJLPKXTDSA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001495264902 1100960768 /nfs/dbraw/zinc/96/07/68/1100960768.db2.gz HMISXHCGPXJRBG-PKOBYXMFSA-N 2 0 348.466 2.080 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001496367578 1100960807 /nfs/dbraw/zinc/96/08/07/1100960807.db2.gz DZMLLQWMJLGTEI-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001496372109 1100965359 /nfs/dbraw/zinc/96/53/59/1100965359.db2.gz VGQFSEBHXACZME-WBVHZDCISA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001496376203 1100968941 /nfs/dbraw/zinc/96/89/41/1100968941.db2.gz PLYOJVGAVDYMRN-HKUYNNGSSA-N 2 0 331.504 2.396 10 0 EEAERP Cc1nc(C[NH2+]C[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C2CC2)c(C)o1 ZINC001495280252 1100978511 /nfs/dbraw/zinc/97/85/11/1100978511.db2.gz OGGHQWYYWIZCIH-SFHVURJKSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1ncc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)o1 ZINC001495322895 1101029377 /nfs/dbraw/zinc/02/93/77/1101029377.db2.gz ZZTYRTHGHSVYBC-KBXCAEBGSA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCc2ccccc2F)C1 ZINC001446558109 1101037120 /nfs/dbraw/zinc/03/71/20/1101037120.db2.gz ZSPHHHIJYIUIAL-LJQANCHMSA-N 2 0 335.467 2.289 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001495377087 1101095482 /nfs/dbraw/zinc/09/54/82/1101095482.db2.gz CILZEIYCKKQLCK-DLBZAZTESA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)C1 ZINC001495430638 1101149017 /nfs/dbraw/zinc/14/90/17/1101149017.db2.gz UXCAJUBUKGQNBT-QGZVFWFLSA-N 2 0 344.503 2.142 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001496562035 1101163591 /nfs/dbraw/zinc/16/35/91/1101163591.db2.gz ONQYCRYWXZGLHN-KGLIPLIRSA-N 2 0 348.318 2.378 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(F)(F)CC1 ZINC001496643634 1101248659 /nfs/dbraw/zinc/24/86/59/1101248659.db2.gz PAIGHXSGYLZXAA-HZPDHXFCSA-N 2 0 345.478 2.494 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCCC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001495535974 1101252027 /nfs/dbraw/zinc/25/20/27/1101252027.db2.gz NVAARONIIANWJO-CGGYKVPPSA-N 2 0 327.900 2.299 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001495681842 1101426758 /nfs/dbraw/zinc/42/67/58/1101426758.db2.gz IWRPGJYTJSCGQN-BEFAXECRSA-N 2 0 346.519 2.415 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001446953381 1101646773 /nfs/dbraw/zinc/64/67/73/1101646773.db2.gz WDZLZVHFDBXHHX-GDBMZVCRSA-N 2 0 348.491 2.219 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cccc(F)c2F)CCCC1 ZINC001495939327 1101793776 /nfs/dbraw/zinc/79/37/76/1101793776.db2.gz HLRSJJCFRKUYPL-UHFFFAOYSA-N 2 0 339.430 2.435 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)C[NH+]3CCC(C)CC3)CCCC2)o1 ZINC001495961729 1101835296 /nfs/dbraw/zinc/83/52/96/1101835296.db2.gz QPPNSOFTKRYKQD-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1nocc1C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001495963267 1101841413 /nfs/dbraw/zinc/84/14/13/1101841413.db2.gz HCVXTMZDGDTDCF-GASCZTMLSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001447076998 1101937634 /nfs/dbraw/zinc/93/76/34/1101937634.db2.gz JEFQLOHDTRPCKF-SJORKVTESA-N 2 0 347.507 2.016 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001497210781 1102132831 /nfs/dbraw/zinc/13/28/31/1102132831.db2.gz WVRRSHWVYXMLOS-OAHLLOKOSA-N 2 0 348.491 2.097 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)CCO1 ZINC001447233389 1102253024 /nfs/dbraw/zinc/25/30/24/1102253024.db2.gz KNELGGRRCMJAAW-IAGOWNOFSA-N 2 0 349.519 2.058 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001497303148 1102283680 /nfs/dbraw/zinc/28/36/80/1102283680.db2.gz FRWDQNKOZNEVCM-NVXWUHKLSA-N 2 0 333.476 2.021 10 0 EEAERP O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001447248273 1102290017 /nfs/dbraw/zinc/29/00/17/1102290017.db2.gz RHSLQNPNVXIBEM-GDBMZVCRSA-N 2 0 348.516 2.289 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C(C)(C)C)on1)NC(=O)C[NH+]1CCCC1 ZINC001497322990 1102321906 /nfs/dbraw/zinc/32/19/06/1102321906.db2.gz MGRCYVAKDVOEKW-CQSZACIVSA-N 2 0 336.480 2.052 10 0 EEAERP COCc1cccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)c1 ZINC001447271811 1102350756 /nfs/dbraw/zinc/35/07/56/1102350756.db2.gz UTINSWFTIQOIJC-UHFFFAOYSA-N 2 0 345.487 2.057 10 0 EEAERP CCN(CCNCc1coc(C)n1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497400658 1102432089 /nfs/dbraw/zinc/43/20/89/1102432089.db2.gz IJKDLZYMIVSHSS-SFHVURJKSA-N 2 0 348.491 2.328 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497486798 1102565732 /nfs/dbraw/zinc/56/57/32/1102565732.db2.gz UGKXNXWGJIXBIZ-LSDHHAIUSA-N 2 0 333.467 2.446 10 0 EEAERP CC1CCC(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001497585886 1102703366 /nfs/dbraw/zinc/70/33/66/1102703366.db2.gz NSZZPKYAXBYCJD-QEDWTQKSSA-N 2 0 333.520 2.417 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001497598123 1102725192 /nfs/dbraw/zinc/72/51/92/1102725192.db2.gz ACLPMHYMFMKSKW-KVLZDYKBSA-N 2 0 333.451 2.462 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497601354 1102729937 /nfs/dbraw/zinc/72/99/37/1102729937.db2.gz QUCBGVAYFPHKFM-JZIMQPMSSA-N 2 0 336.505 2.088 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1cc(Cl)ccc1F ZINC001497673151 1102876850 /nfs/dbraw/zinc/87/68/50/1102876850.db2.gz FBUIVTMMYVHSLA-ONEGZZNKSA-N 2 0 327.831 2.193 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001447631657 1102999581 /nfs/dbraw/zinc/99/95/81/1102999581.db2.gz IPEBGARGUXYLEW-IUODEOHRSA-N 2 0 338.521 2.181 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC001497825408 1103154202 /nfs/dbraw/zinc/15/42/02/1103154202.db2.gz NLQXYSSDZIQJLU-CXAGYDPISA-N 2 0 334.464 2.021 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497845782 1103184389 /nfs/dbraw/zinc/18/43/89/1103184389.db2.gz PCWZGNPLHKUQLV-OAHLLOKOSA-N 2 0 335.517 2.403 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001497926513 1103347033 /nfs/dbraw/zinc/34/70/33/1103347033.db2.gz FDKZGKLOEHNKNO-IAGOWNOFSA-N 2 0 349.523 2.323 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1c(F)cccc1Cl ZINC001447884391 1103515158 /nfs/dbraw/zinc/51/51/58/1103515158.db2.gz AERKEXXGFKWQLR-STQMWFEESA-N 2 0 343.874 2.456 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001447917328 1103591767 /nfs/dbraw/zinc/59/17/67/1103591767.db2.gz WZYZXYZVRDPVOM-QZTJIDSGSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC001447942694 1103653816 /nfs/dbraw/zinc/65/38/16/1103653816.db2.gz UZJCIWOXNRTTKY-JKSUJKDBSA-N 2 0 345.487 2.306 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001494327112 1103899300 /nfs/dbraw/zinc/89/93/00/1103899300.db2.gz OKLKFQNZIHZGOB-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001448135962 1104080838 /nfs/dbraw/zinc/08/08/38/1104080838.db2.gz QGRGGNBVUPUBHR-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP COCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001494679629 1104265458 /nfs/dbraw/zinc/26/54/58/1104265458.db2.gz VQACGJPFLFFYEZ-OALUTQOASA-N 2 0 345.487 2.074 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001494919203 1104556324 /nfs/dbraw/zinc/55/63/24/1104556324.db2.gz OZXYPVKPBBLTHA-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001480597480 1106735597 /nfs/dbraw/zinc/73/55/97/1106735597.db2.gz PZKRIRRUWJTYDN-GFCCVEGCSA-N 2 0 329.847 2.414 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001480646420 1106812709 /nfs/dbraw/zinc/81/27/09/1106812709.db2.gz RWQMCUBGTWXQDF-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)s1 ZINC001498044131 1106827206 /nfs/dbraw/zinc/82/72/06/1106827206.db2.gz RLKYKAUAMYEIDA-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480693176 1106894891 /nfs/dbraw/zinc/89/48/91/1106894891.db2.gz MKEJYVXBDWSXJI-SJORKVTESA-N 2 0 339.524 2.304 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC001498098596 1106918950 /nfs/dbraw/zinc/91/89/50/1106918950.db2.gz DOGFHFNFYLREJS-GOEBONIOSA-N 2 0 348.491 2.268 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001498133465 1106967386 /nfs/dbraw/zinc/96/73/86/1106967386.db2.gz WAEPUNFPLDEWFK-KRWDZBQOSA-N 2 0 331.504 2.364 10 0 EEAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001480723100 1106971777 /nfs/dbraw/zinc/97/17/77/1106971777.db2.gz BADPTYBQFSSDEJ-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001480763048 1107066633 /nfs/dbraw/zinc/06/66/33/1107066633.db2.gz DTNMSYQFPHBAOQ-CQSZACIVSA-N 2 0 336.480 2.232 10 0 EEAERP COc1ccc(CC[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001480772989 1107086460 /nfs/dbraw/zinc/08/64/60/1107086460.db2.gz SBKGIDSRZJJDCS-APWZRJJASA-N 2 0 347.503 2.206 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001498313825 1107274762 /nfs/dbraw/zinc/27/47/62/1107274762.db2.gz OLKOIOKFPVLQKE-OAHLLOKOSA-N 2 0 332.492 2.119 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498498458 1107639383 /nfs/dbraw/zinc/63/93/83/1107639383.db2.gz UUGDJCKZKHORRM-QZTJIDSGSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498525428 1107672614 /nfs/dbraw/zinc/67/26/14/1107672614.db2.gz AINDNGIJZPDUAS-LJQANCHMSA-N 2 0 340.471 2.267 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001493255409 1107784024 /nfs/dbraw/zinc/78/40/24/1107784024.db2.gz SSXFVAFLFYORNK-KRWDZBQOSA-N 2 0 335.467 2.496 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001498611167 1107806312 /nfs/dbraw/zinc/80/63/12/1107806312.db2.gz STLKMDPEGVEJPU-CQSZACIVSA-N 2 0 346.928 2.321 10 0 EEAERP CN(CCC[NH2+]Cc1cc2ccccc2o1)C(=O)C12CC[NH+](CC1)C2 ZINC001498641627 1107873011 /nfs/dbraw/zinc/87/30/11/1107873011.db2.gz JUESTTYOCZEVIS-UHFFFAOYSA-N 2 0 341.455 2.467 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001493806646 1108687396 /nfs/dbraw/zinc/68/73/96/1108687396.db2.gz MJWHBYLJSYTLKV-CYBMUJFWSA-N 2 0 327.419 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ncccn2)CC1 ZINC001493850404 1108734560 /nfs/dbraw/zinc/73/45/60/1108734560.db2.gz QDZKKZQSIMRRKN-HZPDHXFCSA-N 2 0 347.507 2.095 10 0 EEAERP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001456161632 1109107830 /nfs/dbraw/zinc/10/78/30/1109107830.db2.gz YUFOVHUKRLKBLA-AEFFLSMTSA-N 2 0 347.478 2.494 10 0 EEAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001472115442 1110543752 /nfs/dbraw/zinc/54/37/52/1110543752.db2.gz KDJRXLAPRNOSJX-SJLPKXTDSA-N 2 0 347.478 2.496 10 0 EEAERP O=c1[nH]cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ccccc12 ZINC001473108249 1110571609 /nfs/dbraw/zinc/57/16/09/1110571609.db2.gz UWAYRRSKDPBZLU-UHFFFAOYSA-N 2 0 341.455 2.485 10 0 EEAERP Brc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)nc1 ZINC001473936061 1110586106 /nfs/dbraw/zinc/58/61/06/1110586106.db2.gz KFBJRCIFWIYUNP-UHFFFAOYSA-N 2 0 328.254 2.046 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC001499448926 1112291430 /nfs/dbraw/zinc/29/14/30/1112291430.db2.gz XJBHXERMKCUXEF-ZDUSSCGKSA-N 2 0 337.414 2.360 10 0 EEAERP CO[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001499496322 1112322310 /nfs/dbraw/zinc/32/23/10/1112322310.db2.gz ZRVNKAACJOMISI-CSNJMZFVSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1oncc1C[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001500005609 1112575869 /nfs/dbraw/zinc/57/58/69/1112575869.db2.gz GGLDOVQCPADRRY-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001501575251 1113388448 /nfs/dbraw/zinc/38/84/48/1113388448.db2.gz XDAVDUAKKFPAHI-WBVHZDCISA-N 2 0 325.472 2.191 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2nc(C)cs2)C1 ZINC001501640941 1113411415 /nfs/dbraw/zinc/41/14/15/1113411415.db2.gz MRWNMCKHFPDTJC-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001501682125 1113432811 /nfs/dbraw/zinc/43/28/11/1113432811.db2.gz YIZHRWGUNYSGQG-HOTGVXAUSA-N 2 0 333.476 2.084 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCC2)CC1 ZINC001501995846 1113551806 /nfs/dbraw/zinc/55/18/06/1113551806.db2.gz KPPLMDOOROQTPR-NXHRZFHOSA-N 2 0 333.520 2.393 10 0 EEAERP CC[N@H+](CCC1CC1)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001505400566 1113937894 /nfs/dbraw/zinc/93/78/94/1113937894.db2.gz UZBVLCMYIQHXFY-UHFFFAOYSA-N 2 0 333.520 2.443 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001505733433 1114157694 /nfs/dbraw/zinc/15/76/94/1114157694.db2.gz SVDAZXMPZTWJDO-CABCVRRESA-N 2 0 333.451 2.213 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)on1 ZINC001505760046 1114174015 /nfs/dbraw/zinc/17/40/15/1114174015.db2.gz FSVFDLBUISOJLA-CABCVRRESA-N 2 0 344.459 2.341 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505760102 1114174208 /nfs/dbraw/zinc/17/42/08/1114174208.db2.gz GOIFEGDLAJMAJX-DLBZAZTESA-N 2 0 332.492 2.249 10 0 EEAERP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[N@@H+](C)CC[C@H](C)F ZINC001505961043 1114302191 /nfs/dbraw/zinc/30/21/91/1114302191.db2.gz FDZHLAXXKYZLJN-UONOGXRCSA-N 2 0 333.411 2.066 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC001506808105 1114889539 /nfs/dbraw/zinc/88/95/39/1114889539.db2.gz YBDXOOCRTVMHFA-OSYLJGHBSA-N 2 0 335.879 2.086 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001506887241 1114951560 /nfs/dbraw/zinc/95/15/60/1114951560.db2.gz HHEAJOBYNXQJJH-HYLXBKALSA-N 2 0 325.884 2.240 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccncc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001506950273 1114998640 /nfs/dbraw/zinc/99/86/40/1114998640.db2.gz GHHGUXNCCARMTA-AWEZNQCLSA-N 2 0 338.883 2.205 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001507074477 1115094549 /nfs/dbraw/zinc/09/45/49/1115094549.db2.gz UQDSCLKJJJWEQW-QFBILLFUSA-N 2 0 329.488 2.273 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCOCC2)[C@H]1C ZINC001507291937 1115176714 /nfs/dbraw/zinc/17/67/14/1115176714.db2.gz GNCSVJMLUBXTFB-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1N(Cc1cncc(F)c1)CC2 ZINC001507350759 1115213557 /nfs/dbraw/zinc/21/35/57/1115213557.db2.gz BRCWISYWEAYCNP-HKUYNNGSSA-N 2 0 348.466 2.176 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC=C(Cl)Cl)[C@H]2C1 ZINC001507362859 1115223333 /nfs/dbraw/zinc/22/33/33/1115223333.db2.gz SGTFXCUUOMXSHT-IHRRRGAJSA-N 2 0 348.318 2.474 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001507416556 1115258591 /nfs/dbraw/zinc/25/85/91/1115258591.db2.gz PESXWVQOALWILU-RDJZCZTQSA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508033723 1115396390 /nfs/dbraw/zinc/39/63/90/1115396390.db2.gz BJXDUXXBMHOKHO-HOTGVXAUSA-N 2 0 341.540 2.262 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001508081955 1115414997 /nfs/dbraw/zinc/41/49/97/1115414997.db2.gz BWRWFLVBJKWDRY-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001508083405 1115415699 /nfs/dbraw/zinc/41/56/99/1115415699.db2.gz UHZNIMRJEVXNTI-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CCC2)C1 ZINC001508087623 1115416633 /nfs/dbraw/zinc/41/66/33/1115416633.db2.gz QKZZVPJEXKNZMF-GJZGRUSLSA-N 2 0 349.441 2.496 10 0 EEAERP CC(C)=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001508179976 1115435942 /nfs/dbraw/zinc/43/59/42/1115435942.db2.gz OHAKUITUZHUKOG-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001567895188 1124162162 /nfs/dbraw/zinc/16/21/62/1124162162.db2.gz MGGRHTUQYSIEAD-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccccc1 ZINC001567984644 1124217003 /nfs/dbraw/zinc/21/70/03/1124217003.db2.gz QEJGGSNNTQHKDE-SFHVURJKSA-N 2 0 329.488 2.199 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001568359175 1124436463 /nfs/dbraw/zinc/43/64/63/1124436463.db2.gz HUYCYPZRAMSUNI-KSSFIOAISA-N 2 0 344.459 2.119 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C[NH2+]CCCF ZINC001568428956 1124496481 /nfs/dbraw/zinc/49/64/81/1124496481.db2.gz KSIUTFZWXAEYRO-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001568630400 1124645153 /nfs/dbraw/zinc/64/51/53/1124645153.db2.gz BUCCRAOGNPNSJA-ZFWWWQNUSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568632170 1124646705 /nfs/dbraw/zinc/64/67/05/1124646705.db2.gz JJBYTIIOKAFVTN-APWZRJJASA-N 2 0 329.488 2.321 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001568669728 1124683651 /nfs/dbraw/zinc/68/36/51/1124683651.db2.gz VBYDHMRBLPKORI-RYRKJORJSA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001568698847 1124712607 /nfs/dbraw/zinc/71/26/07/1124712607.db2.gz JBKLAWYCXKFXDJ-HUUCEWRRSA-N 2 0 336.480 2.124 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001568698846 1124712831 /nfs/dbraw/zinc/71/28/31/1124712831.db2.gz JBKLAWYCXKFXDJ-GJZGRUSLSA-N 2 0 336.480 2.124 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568920013 1124949450 /nfs/dbraw/zinc/94/94/50/1124949450.db2.gz NFXNYDFRKHFERX-WOMSROEHSA-N 2 0 340.471 2.272 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CCc2cccs2)CC1 ZINC001568930845 1124962555 /nfs/dbraw/zinc/96/25/55/1124962555.db2.gz PAACMWKLQFQGGG-NSCUHMNNSA-N 2 0 335.517 2.285 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001568952049 1124987136 /nfs/dbraw/zinc/98/71/36/1124987136.db2.gz UOXJMWHNCLBPAP-UCAFPWNGSA-N 2 0 345.462 2.417 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001569202773 1125161352 /nfs/dbraw/zinc/16/13/52/1125161352.db2.gz ICUXDQACDOCQFL-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001569211151 1125166681 /nfs/dbraw/zinc/16/66/81/1125166681.db2.gz PREXKGFPEUFGDK-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001569261375 1125202418 /nfs/dbraw/zinc/20/24/18/1125202418.db2.gz NEYGAGDBADIXCL-FQEVSTJZSA-N 2 0 329.488 2.419 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113577 291145651 /nfs/dbraw/zinc/14/56/51/291145651.db2.gz FNGUFRYWRRLQHO-IRXDYDNUSA-N 2 0 331.508 2.429 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000423079026 240356332 /nfs/dbraw/zinc/35/63/32/240356332.db2.gz XGZQVLYKXIPXBU-BSDSXHPESA-N 2 0 331.508 2.208 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097906 240363190 /nfs/dbraw/zinc/36/31/90/240363190.db2.gz BRAXGQDUBOUCJF-KRWDZBQOSA-N 3 0 335.492 2.003 10 0 EEAERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274908601 201273430 /nfs/dbraw/zinc/27/34/30/201273430.db2.gz MOSJNUYQCQCKIE-SESVDKBCSA-N 2 0 345.531 2.333 10 0 EEAERP COc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423059212 240344733 /nfs/dbraw/zinc/34/47/33/240344733.db2.gz FHAGIYBMHNSUHX-LERXQTSPSA-N 2 0 343.265 2.300 10 0 EEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(Br)c2)CC1 ZINC000022212141 212283075 /nfs/dbraw/zinc/28/30/75/212283075.db2.gz KNWMDFNAZMHABE-CQSZACIVSA-N 2 0 330.245 2.226 10 0 EEAERP C[N@H+](C[C@@H](O)CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000451909034 243307476 /nfs/dbraw/zinc/30/74/76/243307476.db2.gz ZHJSTJCYUAXNDY-QGZVFWFLSA-N 2 0 325.541 2.274 10 0 EEAERP COC1([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)CCOCC1 ZINC000453092290 243395833 /nfs/dbraw/zinc/39/58/33/243395833.db2.gz QSMKDTXUDQGPQV-INIZCTEOSA-N 2 0 336.476 2.301 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000237044662 204330792 /nfs/dbraw/zinc/33/07/92/204330792.db2.gz YIXFXDQEHBYVFW-UHFFFAOYSA-N 2 0 333.476 2.089 10 0 EEAERP C[NH+](C)CCCC[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000045698519 204333489 /nfs/dbraw/zinc/33/34/89/204333489.db2.gz NNAXMBHMUHFYLT-UHFFFAOYSA-N 2 0 328.254 2.319 10 0 EEAERP COc1ccccc1C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127790767 205117124 /nfs/dbraw/zinc/11/71/24/205117124.db2.gz OAVHGGJJPONMQJ-PKOBYXMFSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000268602594 252059331 /nfs/dbraw/zinc/05/93/31/252059331.db2.gz VGOBTDAZMNADBZ-LPHOPBHVSA-N 2 0 344.503 2.385 10 0 EEAERP C[N@H+](CCCO)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000271241001 256223707 /nfs/dbraw/zinc/22/37/07/256223707.db2.gz AEDGGVNFIOVPBW-HXUWFJFHSA-N 2 0 331.504 2.040 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000273254259 256280564 /nfs/dbraw/zinc/28/05/64/256280564.db2.gz WPRYNXZVUPLXOL-MRXNPFEDSA-N 2 0 329.488 2.281 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000074714425 292176896 /nfs/dbraw/zinc/17/68/96/292176896.db2.gz JMLYYZMOBAUILN-GOSISDBHSA-N 2 0 338.540 2.482 10 0 EEAERP C(CCCN1CC[NH+]2CCC[C@H]2C1)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172656198 152105835 /nfs/dbraw/zinc/10/58/35/152105835.db2.gz MKPCUDOBGTVCEK-BGYRXZFFSA-N 2 0 334.552 2.107 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000191468958 152257650 /nfs/dbraw/zinc/25/76/50/152257650.db2.gz FQNRXAVGRTVONN-UHFFFAOYSA-N 2 0 333.524 2.016 10 0 EEAERP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262705556 152310146 /nfs/dbraw/zinc/31/01/46/152310146.db2.gz BLGYPKQIXOMAQQ-FUHIMQAGSA-N 2 0 343.515 2.444 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000377201954 154085027 /nfs/dbraw/zinc/08/50/27/154085027.db2.gz RBQAWWPNVHYVOS-RBUKOAKNSA-N 2 0 346.519 2.439 10 0 EEAERP C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCC1 ZINC000127962004 292333686 /nfs/dbraw/zinc/33/36/86/292333686.db2.gz WMWCXIWGJDRMBI-MJGOQNOKSA-N 2 0 346.519 2.190 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262317926 160450676 /nfs/dbraw/zinc/45/06/76/160450676.db2.gz BWASZZAZKOJQIJ-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CCN(CC)CC[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190504143 160161595 /nfs/dbraw/zinc/16/15/95/160161595.db2.gz SLOAQGQBTPLKTL-KRWDZBQOSA-N 2 0 341.540 2.456 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000245688430 160247596 /nfs/dbraw/zinc/24/75/96/160247596.db2.gz WQWXWXMHSKHKJB-NZSAHSFTSA-N 2 0 344.503 2.463 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)[NH+](C)C)cc1 ZINC000246369599 160275920 /nfs/dbraw/zinc/27/59/20/160275920.db2.gz GGOJZMRNJQFNDW-RBUKOAKNSA-N 2 0 344.503 2.477 10 0 EEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000248072757 160338224 /nfs/dbraw/zinc/33/82/24/160338224.db2.gz MQKABKQUCUXCBW-IRXDYDNUSA-N 2 0 347.507 2.116 10 0 EEAERP O=C(Cn1ccnc1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368296323 166084863 /nfs/dbraw/zinc/08/48/63/166084863.db2.gz MMIMVUWQWXCNHQ-GOSISDBHSA-N 2 0 326.444 2.302 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000375840033 167210862 /nfs/dbraw/zinc/21/08/62/167210862.db2.gz OEQIJHXEEMPBME-GZBFAFLISA-N 2 0 337.489 2.325 10 0 EEAERP COCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000278688678 274389995 /nfs/dbraw/zinc/38/99/95/274389995.db2.gz KIAVHXCRWGXZCH-XSDIEEQYSA-N 2 0 343.515 2.492 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000494422149 276263073 /nfs/dbraw/zinc/26/30/73/276263073.db2.gz BEBKDECLNKUANP-RBUKOAKNSA-N 2 0 331.504 2.468 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000449740837 276263247 /nfs/dbraw/zinc/26/32/47/276263247.db2.gz RDVVHVSZCLDJLN-FQEVSTJZSA-N 2 0 331.504 2.469 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000303428053 279282071 /nfs/dbraw/zinc/28/20/71/279282071.db2.gz BFXOQJVUOZOTBQ-MOPGFXCFSA-N 2 0 346.519 2.333 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc[nH]c1C1CC1 ZINC000284055665 293023817 /nfs/dbraw/zinc/02/38/17/293023817.db2.gz UTOHMWXBNGIQJQ-INIZCTEOSA-N 2 0 332.492 2.380 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412423979 312662188 /nfs/dbraw/zinc/66/21/88/312662188.db2.gz UQDPTUVLNKOWQN-QGZVFWFLSA-N 2 0 344.484 2.168 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000416845931 313334407 /nfs/dbraw/zinc/33/44/07/313334407.db2.gz SMFVYQFFCPTSME-OLMNPRSZSA-N 2 0 332.492 2.149 10 0 EEAERP C[N@H+](CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000416873294 313344107 /nfs/dbraw/zinc/34/41/07/313344107.db2.gz NBYMJARQQTYMKE-HDICACEKSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C[NH2+]1 ZINC000416882830 313347596 /nfs/dbraw/zinc/34/75/96/313347596.db2.gz BAUVZEDAQXQRPX-HZPDHXFCSA-N 2 0 330.476 2.174 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000417630424 313551989 /nfs/dbraw/zinc/55/19/89/313551989.db2.gz QXHWQIHNWZPPIS-VYDXJSESSA-N 2 0 332.492 2.413 10 0 EEAERP CCC([NH3+])(CC)CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418443269 313814742 /nfs/dbraw/zinc/81/47/42/313814742.db2.gz UZMSZVGCQAGXTK-CVEARBPZSA-N 2 0 336.455 2.169 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000418444222 313815841 /nfs/dbraw/zinc/81/58/41/313815841.db2.gz AXRUGOAPEJRUDZ-CRAIPNDOSA-N 2 0 330.476 2.476 10 0 EEAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC(OC(C)(C)C)C1 ZINC000421020610 314028336 /nfs/dbraw/zinc/02/83/36/314028336.db2.gz ZTSPIXBPXZGRBK-UHFFFAOYSA-N 2 0 337.508 2.007 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnn4ccccc34)CC2)CC1 ZINC000421365307 314092265 /nfs/dbraw/zinc/09/22/65/314092265.db2.gz BGQIILYMBVVJJF-UHFFFAOYSA-N 2 0 341.503 2.326 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000441382961 315183454 /nfs/dbraw/zinc/18/34/54/315183454.db2.gz OLKXLSOAQORFMZ-XMMPIXPASA-N 2 0 349.544 2.219 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015812 317302822 /nfs/dbraw/zinc/30/28/22/317302822.db2.gz YYOCZCWELDAMLH-BBRMVZONSA-N 2 0 337.489 2.002 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000569837291 319613198 /nfs/dbraw/zinc/61/31/98/319613198.db2.gz MKVYPEMGLWCVKA-ZWKOTPCHSA-N 2 0 345.531 2.040 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000578246743 320304055 /nfs/dbraw/zinc/30/40/55/320304055.db2.gz ZUQUNFHGXYQTOQ-APWZRJJASA-N 2 0 329.488 2.355 10 0 EEAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000583078225 324587971 /nfs/dbraw/zinc/58/79/71/324587971.db2.gz DKQGKCWZVKGKAD-OALUTQOASA-N 2 0 345.487 2.131 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000341186358 465040033 /nfs/dbraw/zinc/04/00/33/465040033.db2.gz UCEPMZJQQYOCEV-BBRMVZONSA-N 2 0 336.455 2.169 10 0 EEAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288095 465094337 /nfs/dbraw/zinc/09/43/37/465094337.db2.gz MBVVWIMKUPGFQX-YLJYHZDGSA-N 2 0 331.504 2.243 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339251263 465168604 /nfs/dbraw/zinc/16/86/04/465168604.db2.gz BTZWGSSEUKBQTH-XHSDSOJGSA-N 2 0 332.492 2.239 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000351541712 465211845 /nfs/dbraw/zinc/21/18/45/465211845.db2.gz RYZXQXUQSARZSH-ICSRJNTNSA-N 2 0 345.487 2.431 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000113599995 462606036 /nfs/dbraw/zinc/60/60/36/462606036.db2.gz UZRNFZZPOYIKCX-NZSAHSFTSA-N 2 0 344.503 2.037 10 0 EEAERP COC(=O)CCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000116398638 462756700 /nfs/dbraw/zinc/75/67/00/462756700.db2.gz LUAAUHUNMJECPR-IBGZPJMESA-N 2 0 348.487 2.317 10 0 EEAERP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091341558 462874411 /nfs/dbraw/zinc/87/44/11/462874411.db2.gz LPHHJMDWQDFRLX-CZUORRHYSA-N 2 0 341.521 2.351 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+]CC2(C)CCOCC2)c2ccccc2)CC1 ZINC000097113518 463328854 /nfs/dbraw/zinc/32/88/54/463328854.db2.gz YHRPBJCDTVUWBS-IBGZPJMESA-N 2 0 331.504 2.381 10 0 EEAERP C[C@@H]1C[C@H](N(C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123770820 463367817 /nfs/dbraw/zinc/36/78/17/463367817.db2.gz UBLXFSVKYCSXRB-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccccc1CNC(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875914 463484764 /nfs/dbraw/zinc/48/47/64/463484764.db2.gz QTIQVKHISSEBTN-UHFFFAOYSA-N 2 0 340.471 2.299 10 0 EEAERP C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000276912824 463804089 /nfs/dbraw/zinc/80/40/89/463804089.db2.gz PKMOHXXNKKIJHW-CQSZACIVSA-N 2 0 339.505 2.107 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261869672 463883510 /nfs/dbraw/zinc/88/35/10/463883510.db2.gz NXSNFTWSGXJCDN-SJLPKXTDSA-N 2 0 345.487 2.006 10 0 EEAERP Cc1cccc2nc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cn21 ZINC000171589007 463887338 /nfs/dbraw/zinc/88/73/38/463887338.db2.gz YIEQOAKLWVOYDL-INIZCTEOSA-N 2 0 330.476 2.167 10 0 EEAERP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171756909 463920846 /nfs/dbraw/zinc/92/08/46/463920846.db2.gz VARMMNQTNDRHOE-PKOBYXMFSA-N 2 0 345.462 2.344 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897149 463943739 /nfs/dbraw/zinc/94/37/39/463943739.db2.gz AWAACQPUAQMKBU-RTBURBONSA-N 2 0 342.487 2.313 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000179191847 464077939 /nfs/dbraw/zinc/07/79/39/464077939.db2.gz XPWZTTYFQWKKIG-KBAYOESNSA-N 2 0 330.476 2.073 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)C3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000237544207 464337162 /nfs/dbraw/zinc/33/71/62/464337162.db2.gz BJVBIDWSKHDNGH-RBUKOAKNSA-N 2 0 343.471 2.089 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000174123489 464364540 /nfs/dbraw/zinc/36/45/40/464364540.db2.gz ZVOODHPGVGWRSO-QZTJIDSGSA-N 2 0 334.508 2.129 10 0 EEAERP c1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc(C2CC2)n1 ZINC000264634044 464402458 /nfs/dbraw/zinc/40/24/58/464402458.db2.gz CBQPRZQLTJCHFX-UHFFFAOYSA-N 2 0 338.459 2.373 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)[C@@H]1c1ccccc1 ZINC000245693009 464506600 /nfs/dbraw/zinc/50/66/00/464506600.db2.gz XPWZTTYFQWKKIG-NJAFHUGGSA-N 2 0 330.476 2.073 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CCCCC1 ZINC000246537459 464596916 /nfs/dbraw/zinc/59/69/16/464596916.db2.gz XDQPBHZBHAWENF-ZWKOTPCHSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000246733923 464617137 /nfs/dbraw/zinc/61/71/37/464617137.db2.gz VWFUPEQGJIGAOM-XDNAFOTISA-N 2 0 347.507 2.424 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000182344878 464631684 /nfs/dbraw/zinc/63/16/84/464631684.db2.gz QADCFJMMXHFETI-FXAWDEMLSA-N 2 0 334.504 2.005 10 0 EEAERP CO[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000295724569 464943288 /nfs/dbraw/zinc/94/32/88/464943288.db2.gz LHQQSOKHOYNLQF-SFHVURJKSA-N 2 0 326.444 2.165 10 0 EEAERP CC(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C[NH+](C)[C@@H]3c3ccccc3)C2)C1=O ZINC000252485818 464963425 /nfs/dbraw/zinc/96/34/25/464963425.db2.gz AQVTVSASNWJNCQ-CADBVGFASA-N 2 0 327.472 2.230 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)[NH+](C)C1CC1 ZINC000371075313 465584209 /nfs/dbraw/zinc/58/42/09/465584209.db2.gz PRXMSCPIJMKTSZ-XWIAVFTESA-N 2 0 348.466 2.353 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000371137679 465612920 /nfs/dbraw/zinc/61/29/20/465612920.db2.gz BZMRWDHHNXRTNK-QAPCUYQASA-N 2 0 342.487 2.205 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000357282147 465910421 /nfs/dbraw/zinc/91/04/21/465910421.db2.gz HSDZJEBXQKVQED-GOSISDBHSA-N 2 0 329.488 2.076 10 0 EEAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000349710156 466200669 /nfs/dbraw/zinc/20/06/69/466200669.db2.gz FBXWWTVPAHYYBM-KRWDZBQOSA-N 2 0 326.529 2.480 10 0 EEAERP CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000338536229 466204283 /nfs/dbraw/zinc/20/42/83/466204283.db2.gz MDSNSULRWVUDAX-IBGZPJMESA-N 2 0 327.472 2.449 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367527966 466394670 /nfs/dbraw/zinc/39/46/70/466394670.db2.gz UUBCSQYUUOSZGR-CMKODMSKSA-N 2 0 329.488 2.486 10 0 EEAERP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000363447421 466408507 /nfs/dbraw/zinc/40/85/07/466408507.db2.gz BJVMMMSGYCBHPU-XYPHTWIQSA-N 2 0 336.455 2.210 10 0 EEAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000374595249 466686673 /nfs/dbraw/zinc/68/66/73/466686673.db2.gz SLWLHOQTEBSUMB-GOSISDBHSA-N 2 0 345.487 2.129 10 0 EEAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000668477180 472139880 /nfs/dbraw/zinc/13/98/80/472139880.db2.gz WXLNXUGHRMRTGW-IPELMVKDSA-N 2 0 333.476 2.206 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000417946475 466998967 /nfs/dbraw/zinc/99/89/67/466998967.db2.gz RMGQTUXLILNZFG-FGTMMUONSA-N 2 0 330.476 2.263 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000417951510 466999811 /nfs/dbraw/zinc/99/98/11/466999811.db2.gz WZPZVBHLSSCPCJ-ROUUACIJSA-N 2 0 342.487 2.217 10 0 EEAERP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282781 467020599 /nfs/dbraw/zinc/02/05/99/467020599.db2.gz ALRCKXPVQWYJJN-QGZVFWFLSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418171765 467064690 /nfs/dbraw/zinc/06/46/90/467064690.db2.gz VOKKTKJZQFULBY-TXPKVOOTSA-N 2 0 348.491 2.494 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418176419 467066511 /nfs/dbraw/zinc/06/65/11/467066511.db2.gz GXMKYAGIYARMFZ-XKGZKEIXSA-N 2 0 344.503 2.463 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000418321565 467092617 /nfs/dbraw/zinc/09/26/17/467092617.db2.gz AWXDJMHVMMDLTM-OAHLLOKOSA-N 2 0 341.459 2.080 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000418644336 467139577 /nfs/dbraw/zinc/13/95/77/467139577.db2.gz CASWACXJAPZJHG-RLFYNMQTSA-N 2 0 332.492 2.373 10 0 EEAERP Cc1cnc([C@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000428436277 467233526 /nfs/dbraw/zinc/23/35/26/467233526.db2.gz FOUXCWUPCJEZGP-KRWDZBQOSA-N 2 0 331.508 2.196 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000398095277 467447148 /nfs/dbraw/zinc/44/71/48/467447148.db2.gz XKRFKEKWPALEDO-LULLPPNCSA-N 2 0 329.488 2.388 10 0 EEAERP Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415203020 467517704 /nfs/dbraw/zinc/51/77/04/467517704.db2.gz KLTVYIBLQABJEL-GDBMZVCRSA-N 2 0 334.464 2.055 10 0 EEAERP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+]2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397547 467638375 /nfs/dbraw/zinc/63/83/75/467638375.db2.gz VNVLPKSMDUAIQA-NRSPTQNISA-N 2 0 345.531 2.476 10 0 EEAERP CC(=O)[C@@](C)(O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450653279 467887651 /nfs/dbraw/zinc/88/76/51/467887651.db2.gz VPMYNUYXKZEDNN-IBGZPJMESA-N 2 0 330.472 2.315 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])C3CCC3)CC[N@@H+]2C2CC2)c1 ZINC000515233030 467981859 /nfs/dbraw/zinc/98/18/59/467981859.db2.gz AVXHLLLPSYUGJE-GBESFXJTSA-N 2 0 343.471 2.217 10 0 EEAERP C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000567821327 468216755 /nfs/dbraw/zinc/21/67/55/468216755.db2.gz ZBOQKAHRCPDZPF-APWZRJJASA-N 2 0 344.503 2.375 10 0 EEAERP C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557180286 468618603 /nfs/dbraw/zinc/61/86/03/468618603.db2.gz FOYYSQHWDPSDFC-RWQQGDIJSA-N 2 0 344.503 2.194 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](COC)CC(C)(C)C)CC[NH2+]CC1 ZINC000594585216 468627631 /nfs/dbraw/zinc/62/76/31/468627631.db2.gz WRRUITQPFWMHIU-HUUCEWRRSA-N 2 0 328.497 2.349 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734581 468667541 /nfs/dbraw/zinc/66/75/41/468667541.db2.gz BSFLTUSLSWMYPQ-SFHVURJKSA-N 2 0 346.471 2.450 10 0 EEAERP CN(CCC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000561497597 468897534 /nfs/dbraw/zinc/89/75/34/468897534.db2.gz PBNWUDYDUHAWSG-LJQANCHMSA-N 2 0 340.471 2.197 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589158998 469203583 /nfs/dbraw/zinc/20/35/83/469203583.db2.gz UBWATNPUKLQJGD-CQSZACIVSA-N 2 0 328.420 2.263 10 0 EEAERP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000599698036 469342192 /nfs/dbraw/zinc/34/21/92/469342192.db2.gz ULKCCZFYNIZCOK-BCDXTJNWSA-N 2 0 339.524 2.065 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000618555474 469387647 /nfs/dbraw/zinc/38/76/47/469387647.db2.gz ZRHZWZVYDCGFMK-MOPGFXCFSA-N 2 0 346.519 2.333 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)[NH+](CC)CC ZINC000629418110 469535618 /nfs/dbraw/zinc/53/56/18/469535618.db2.gz NPHFPUQAEVRPGI-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000617007543 469569040 /nfs/dbraw/zinc/56/90/40/469569040.db2.gz VKZALZMOOJZKBG-HZPDHXFCSA-N 2 0 339.549 2.193 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000629568358 469582251 /nfs/dbraw/zinc/58/22/51/469582251.db2.gz JTAGXNQGKGUCRN-KGLIPLIRSA-N 2 0 341.883 2.074 10 0 EEAERP CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594149 469588532 /nfs/dbraw/zinc/58/85/32/469588532.db2.gz LKKUEQCSRHMGKM-KDURUIRLSA-N 2 0 331.460 2.345 10 0 EEAERP C[NH+]1CCN(Cc2ccccc2-c2nc3c(s2)C[NH2+]CC3)CC1 ZINC000629735348 469617728 /nfs/dbraw/zinc/61/77/28/469617728.db2.gz SIPLJVOZKJIMNC-UHFFFAOYSA-N 2 0 328.485 2.203 10 0 EEAERP O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc2nccn2c1 ZINC000606580931 469619914 /nfs/dbraw/zinc/61/99/14/469619914.db2.gz KCTQZOAKSLXGEA-UHFFFAOYSA-N 2 0 343.431 2.101 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)CC1(C)C ZINC000623535296 469686798 /nfs/dbraw/zinc/68/67/98/469686798.db2.gz UIHHJAPIDHYTJU-ZDUSSCGKSA-N 2 0 342.281 2.073 10 0 EEAERP C[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)CC1(C)C ZINC000623563941 469694425 /nfs/dbraw/zinc/69/44/25/469694425.db2.gz OBCFVTLWHQKXDG-RTBURBONSA-N 2 0 331.504 2.216 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000626920598 469754628 /nfs/dbraw/zinc/75/46/28/469754628.db2.gz FZYQOTWZTQMJHH-ARFHVFGLSA-N 2 0 334.464 2.246 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)[NH+](C)C)cc1 ZINC000626921897 469754915 /nfs/dbraw/zinc/75/49/15/469754915.db2.gz LUUGAAVSUOKAPR-RCCFBDPRSA-N 2 0 332.492 2.291 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000626925657 469757094 /nfs/dbraw/zinc/75/70/94/469757094.db2.gz QBIFZTKYBZERHI-ZWKOTPCHSA-N 2 0 332.492 2.468 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000626946495 469765346 /nfs/dbraw/zinc/76/53/46/469765346.db2.gz RDDSKIMSZGJKMG-LAVFITLUSA-N 2 0 330.476 2.262 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000627000347 469784679 /nfs/dbraw/zinc/78/46/79/469784679.db2.gz OVUJTDNECQFUOV-NBOOPKSLSA-N 2 0 344.503 2.193 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000627168432 469832141 /nfs/dbraw/zinc/83/21/41/469832141.db2.gz UNPAEUSJCKXYAY-VSZNYVQBSA-N 2 0 336.524 2.423 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627166650 469832232 /nfs/dbraw/zinc/83/22/32/469832232.db2.gz HZSVVYSCELKZQE-GBESFXJTSA-N 2 0 344.503 2.290 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000627237468 469852398 /nfs/dbraw/zinc/85/23/98/469852398.db2.gz DUXGPZWSUWUZHV-XJKSGUPXSA-N 2 0 338.883 2.164 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627240295 469853406 /nfs/dbraw/zinc/85/34/06/469853406.db2.gz TXHCZXCAHVFWIF-SOLBZPMBSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000624138718 469853819 /nfs/dbraw/zinc/85/38/19/469853819.db2.gz WTNMRDBMIPEGOB-NZSAHSFTSA-N 2 0 329.488 2.322 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624175745 469865580 /nfs/dbraw/zinc/86/55/80/469865580.db2.gz WFQWOGLJTSYATK-XSDIEEQYSA-N 2 0 343.515 2.207 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)C1 ZINC000614383884 469926512 /nfs/dbraw/zinc/92/65/12/469926512.db2.gz FADPYHIAWMKQDI-CYBMUJFWSA-N 2 0 339.867 2.044 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628312229 470090236 /nfs/dbraw/zinc/09/02/36/470090236.db2.gz UDIQPKOBBLCOLT-UHFFFAOYSA-N 2 0 329.444 2.408 10 0 EEAERP C[C@@](O)(C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000634700403 470281289 /nfs/dbraw/zinc/28/12/89/470281289.db2.gz ZKMNJVVZTKEGCK-VQTJNVASSA-N 2 0 332.488 2.284 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000645785801 470416435 /nfs/dbraw/zinc/41/64/35/470416435.db2.gz VOYZHOJMZFQZIH-SFHVURJKSA-N 2 0 338.540 2.480 10 0 EEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647166472 470846601 /nfs/dbraw/zinc/84/66/01/470846601.db2.gz PCOYXMVDVARSPC-ZDUSSCGKSA-N 2 0 345.484 2.073 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899691 471010301 /nfs/dbraw/zinc/01/03/01/471010301.db2.gz SQKNQUFRFFAIAS-YCPHGPKFSA-N 2 0 345.443 2.206 10 0 EEAERP COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899420 471010651 /nfs/dbraw/zinc/01/06/51/471010651.db2.gz JTDBNIMQQPDRJA-IEBWSBKVSA-N 2 0 345.487 2.118 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@]12CCCO2 ZINC000657434950 471135872 /nfs/dbraw/zinc/13/58/72/471135872.db2.gz MHYJQVLSJLQJDL-RCCFBDPRSA-N 2 0 328.416 2.084 10 0 EEAERP Cn1ncc(C2CC2)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537432 471163642 /nfs/dbraw/zinc/16/36/42/471163642.db2.gz KXFSDHDPLGPNAN-UHFFFAOYSA-N 2 0 332.492 2.278 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)C1 ZINC000657597548 471181537 /nfs/dbraw/zinc/18/15/37/471181537.db2.gz UPFLPMSLNXGVCR-HXUWFJFHSA-N 2 0 340.471 2.150 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000652137388 471242685 /nfs/dbraw/zinc/24/26/85/471242685.db2.gz JGURERZDJPYONJ-UHFFFAOYSA-N 2 0 340.471 2.337 10 0 EEAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657969618 471254112 /nfs/dbraw/zinc/25/41/12/471254112.db2.gz SFOMALQVIWDUDG-RTBURBONSA-N 2 0 330.472 2.445 10 0 EEAERP CN(C(=O)NCCC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652315893 471271407 /nfs/dbraw/zinc/27/14/07/471271407.db2.gz HQEQCAPDIJBAIH-IBGZPJMESA-N 2 0 344.503 2.292 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418141 471288872 /nfs/dbraw/zinc/28/88/72/471288872.db2.gz UDJYKOLCXXKFGG-HKUYNNGSSA-N 2 0 344.503 2.244 10 0 EEAERP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000666234738 471324315 /nfs/dbraw/zinc/32/43/15/471324315.db2.gz RMRQNKOFXWPWMS-OAHLLOKOSA-N 2 0 328.460 2.396 10 0 EEAERP CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663406742 471362155 /nfs/dbraw/zinc/36/21/55/471362155.db2.gz PQXKNNSUTZCCKR-LJQANCHMSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669125166 471388583 /nfs/dbraw/zinc/38/85/83/471388583.db2.gz VMFHBUIQCODAHA-AWFCHZOYSA-N 2 0 330.476 2.233 10 0 EEAERP CCOc1ccccc1C[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663503919 471402951 /nfs/dbraw/zinc/40/29/51/471402951.db2.gz SYNDTYVMONOZPZ-UHFFFAOYSA-N 2 0 333.476 2.166 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000663765567 471508485 /nfs/dbraw/zinc/50/84/85/471508485.db2.gz YTBYQTCKNLXCLB-QZTJIDSGSA-N 2 0 346.519 2.331 10 0 EEAERP CSc1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)cc1 ZINC000663801326 471525526 /nfs/dbraw/zinc/52/55/26/471525526.db2.gz SMKLGWOBKXWSNT-UHFFFAOYSA-N 2 0 338.521 2.091 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccnn1C(C)(C)C ZINC000666786288 471536280 /nfs/dbraw/zinc/53/62/80/471536280.db2.gz JCIROSLRWOEDQG-AWEZNQCLSA-N 2 0 338.500 2.032 10 0 EEAERP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926619 471543760 /nfs/dbraw/zinc/54/37/60/471543760.db2.gz FTUSTXPTTOTXGR-CYBMUJFWSA-N 2 0 338.418 2.174 10 0 EEAERP C[C@]1(CNC(=O)NCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565908 471560243 /nfs/dbraw/zinc/56/02/43/471560243.db2.gz WYTUWISBWCZOIE-LJQANCHMSA-N 2 0 330.476 2.092 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000656154296 471611035 /nfs/dbraw/zinc/61/10/35/471611035.db2.gz VBNKMGNVCDBLGQ-VHDGCEQUSA-N 2 0 346.393 2.375 10 0 EEAERP C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000659467404 471641862 /nfs/dbraw/zinc/64/18/62/471641862.db2.gz MAIBPIHWNFUDBZ-IAAVTCLWSA-N 2 0 342.487 2.057 10 0 EEAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000667252234 471710485 /nfs/dbraw/zinc/71/04/85/471710485.db2.gz CYJPNJHGIKUZRF-RDJZCZTQSA-N 2 0 341.459 2.397 10 0 EEAERP CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000656545866 471754986 /nfs/dbraw/zinc/75/49/86/471754986.db2.gz PZIFUIBJZBGQEA-CABCVRRESA-N 2 0 338.521 2.477 10 0 EEAERP C[C@H](CC[N@@H+]1CCC[C@](O)(C2CC2)C1)[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661628562 471833964 /nfs/dbraw/zinc/83/39/64/471833964.db2.gz VQKNHIKTMQCOKC-NSISKUIASA-N 2 0 336.520 2.239 10 0 EEAERP CO[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCC1 ZINC000660128047 471874360 /nfs/dbraw/zinc/87/43/60/471874360.db2.gz IJTDQZDUJBKVJC-XNMUZJSGSA-N 2 0 335.536 2.434 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667789519 471905413 /nfs/dbraw/zinc/90/54/13/471905413.db2.gz QQISDMMJKYXQSQ-LEWJYISDSA-N 2 0 343.515 2.481 10 0 EEAERP CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000667831564 471922340 /nfs/dbraw/zinc/92/23/40/471922340.db2.gz WZVWULMOGKWUTG-UHFFFAOYSA-N 2 0 334.439 2.325 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000665287662 471991633 /nfs/dbraw/zinc/99/16/33/471991633.db2.gz QYSIUIHHAMGWFL-MRXNPFEDSA-N 2 0 346.519 2.394 10 0 EEAERP C[C@@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312307 472065725 /nfs/dbraw/zinc/06/57/25/472065725.db2.gz AQQSAFGGGQWEJF-NVXWUHKLSA-N 2 0 328.464 2.044 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000665639297 472119931 /nfs/dbraw/zinc/11/99/31/472119931.db2.gz UHQDVIZBQXHTEQ-IKGGRYGDSA-N 2 0 326.529 2.479 10 0 EEAERP C[C@H](c1cccnc1)N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665639859 472120034 /nfs/dbraw/zinc/12/00/34/472120034.db2.gz GZBHAXILKISAPE-JKSUJKDBSA-N 2 0 335.496 2.056 10 0 EEAERP C[C@@H]1C[NH+](CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000662689765 472208671 /nfs/dbraw/zinc/20/86/71/472208671.db2.gz XLJGCGFBMLXYGF-MDZRGWNJSA-N 2 0 345.487 2.227 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000662711075 472219081 /nfs/dbraw/zinc/21/90/81/472219081.db2.gz KQRDQWOLSBGRAN-QZTJIDSGSA-N 2 0 327.472 2.157 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000668678211 472221890 /nfs/dbraw/zinc/22/18/90/472221890.db2.gz LRWGCTKUMGAQIH-QDLOVBKTSA-N 2 0 336.867 2.291 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000673863269 485559817 /nfs/dbraw/zinc/55/98/17/485559817.db2.gz XROASBBHRIAPBD-UHFFFAOYSA-N 2 0 340.431 2.359 10 0 EEAERP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143667 485572842 /nfs/dbraw/zinc/57/28/42/485572842.db2.gz ZTBKZMRTPUJMPV-OALUTQOASA-N 2 0 328.460 2.228 10 0 EEAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674384017 485720997 /nfs/dbraw/zinc/72/09/97/485720997.db2.gz QFIVVHYGQDGQBH-SJORKVTESA-N 2 0 340.431 2.358 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000672754011 486186185 /nfs/dbraw/zinc/18/61/85/486186185.db2.gz HOUBUCLDZVNEJD-NUJGCVRESA-N 2 0 332.492 2.380 10 0 EEAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000673428973 486321767 /nfs/dbraw/zinc/32/17/67/486321767.db2.gz JPUQTKGOIHQCBF-HXUWFJFHSA-N 2 0 347.503 2.057 10 0 EEAERP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074857761 490592281 /nfs/dbraw/zinc/59/22/81/490592281.db2.gz WNULKYRXWNSVEM-RTBURBONSA-N 2 0 344.503 2.387 10 0 EEAERP COC(=O)c1ccccc1CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000186974991 534288096 /nfs/dbraw/zinc/28/80/96/534288096.db2.gz ICRSJOXVZUQOHF-INIZCTEOSA-N 2 0 348.487 2.040 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000266298355 535663362 /nfs/dbraw/zinc/66/33/62/535663362.db2.gz IKQZXXTWKXPCMV-MRXNPFEDSA-N 2 0 333.476 2.183 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(OC)cc2)CCOCC1 ZINC000422900434 536593193 /nfs/dbraw/zinc/59/31/93/536593193.db2.gz QLQRUMAIVVEUQE-QGZVFWFLSA-N 2 0 336.476 2.087 10 0 EEAERP COC1([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)CCOCC1 ZINC000453092292 536710047 /nfs/dbraw/zinc/71/00/47/536710047.db2.gz QSMKDTXUDQGPQV-MRXNPFEDSA-N 2 0 336.476 2.301 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000760500031 577664225 /nfs/dbraw/zinc/66/42/25/577664225.db2.gz PLKBPULWWHFBKE-QZTJIDSGSA-N 2 0 346.544 2.238 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)C12CCC2 ZINC000925651901 684739308 /nfs/dbraw/zinc/73/93/08/684739308.db2.gz KYGJADXHBHYKCP-DFBGVHRSSA-N 2 0 328.378 2.114 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)c2C1 ZINC000897097235 686127202 /nfs/dbraw/zinc/12/72/02/686127202.db2.gz GPESJKLRYMZKLH-KRWDZBQOSA-N 2 0 343.471 2.317 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000897103969 686144984 /nfs/dbraw/zinc/14/49/84/686144984.db2.gz BYOHKEYBXKVYCI-NVXWUHKLSA-N 2 0 330.476 2.402 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925214305 687557244 /nfs/dbraw/zinc/55/72/44/687557244.db2.gz FILWODCOUJDQNE-YLJYHZDGSA-N 2 0 330.520 2.408 10 0 EEAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924690126 693168208 /nfs/dbraw/zinc/16/82/08/693168208.db2.gz NUJYTCUHFKDHSH-MJGOQNOKSA-N 2 0 334.508 2.253 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C)[C@H]3C)cc2)CC1 ZINC000924693421 693174073 /nfs/dbraw/zinc/17/40/73/693174073.db2.gz ZCPLRDJNNNEVSO-MBOZVWFJSA-N 2 0 331.504 2.337 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C1C[NH+](CCC(F)(F)F)C1 ZINC001485506173 1191819165 /nfs/dbraw/zinc/81/91/65/1191819165.db2.gz LBSBXZZDWKLOQW-YPMHNXCESA-N 2 0 341.393 2.055 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC4CCCC4)C[C@H]32)CC1 ZINC001485614849 1191862859 /nfs/dbraw/zinc/86/28/59/1191862859.db2.gz SIDRSQOWFQNFMV-NNZMDNLPSA-N 2 0 333.520 2.203 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2nocc2C)CC[N@@H+]1C ZINC001485722624 1191910084 /nfs/dbraw/zinc/91/00/84/1191910084.db2.gz NZOYJYVGZPILNH-HLLBOEOZSA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CCOCC)CC2 ZINC001691960720 1176080879 /nfs/dbraw/zinc/08/08/79/1176080879.db2.gz VPPFOZCNPDXRDB-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1c(F)ccc(N)c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000398802010 1176140156 /nfs/dbraw/zinc/14/01/56/1176140156.db2.gz TUVQGPVORXOXTR-UHFFFAOYSA-N 2 0 338.471 2.062 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001266804373 1177456989 /nfs/dbraw/zinc/45/69/89/1177456989.db2.gz GZKAGVCRYZARMJ-IBGZPJMESA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691053726 1177462403 /nfs/dbraw/zinc/46/24/03/1177462403.db2.gz VOTQRPUCCQECHG-QGZVFWFLSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1CC[NH2+]CCCF ZINC001691297864 1177851803 /nfs/dbraw/zinc/85/18/03/1177851803.db2.gz MMJVCKLKUODFGF-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CC[NH2+]CCCF ZINC001691309554 1177885167 /nfs/dbraw/zinc/88/51/67/1177885167.db2.gz SUDBXAPKLJAGTL-JKSUJKDBSA-N 2 0 325.472 2.049 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001267057107 1178163053 /nfs/dbraw/zinc/16/30/53/1178163053.db2.gz BCAABLAYWGKVBY-MRXNPFEDSA-N 2 0 337.895 2.272 10 0 EEAERP COCCC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267223156 1178534486 /nfs/dbraw/zinc/53/44/86/1178534486.db2.gz XENVVJPHFNDQNF-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(NC[C@@H]1CCC[N@H+]1CCCCCF)[C@H]1C[NH+]2CCC1CC2 ZINC001267267072 1178644032 /nfs/dbraw/zinc/64/40/32/1178644032.db2.gz LCNZOMGRADISFA-IRXDYDNUSA-N 2 0 325.472 2.049 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCOC(C)C)CC[N@@H+]1C ZINC001267268279 1178646246 /nfs/dbraw/zinc/64/62/46/1178646246.db2.gz YQSSNUCDFSVVAS-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001267278107 1178663357 /nfs/dbraw/zinc/66/33/57/1178663357.db2.gz GELBRMUSFYPZMH-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC(F)(F)C1 ZINC001267513781 1179231613 /nfs/dbraw/zinc/23/16/13/1179231613.db2.gz DWDYJHKANLOQEK-HNNXBMFYSA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCOC1CCC1)[NH+]1CCCC1 ZINC001481052223 1179633947 /nfs/dbraw/zinc/63/39/47/1179633947.db2.gz LHCDXOFNBFNGAU-INIZCTEOSA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](C[N@H+](C)CC=C(C)C)C1 ZINC001267653593 1180107023 /nfs/dbraw/zinc/10/70/23/1180107023.db2.gz WITTZZACIDHKKV-IAGOWNOFSA-N 2 0 327.488 2.413 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230993 1180362668 /nfs/dbraw/zinc/36/26/68/1180362668.db2.gz LOYMGUCRSUKRRJ-INIZCTEOSA-N 2 0 335.879 2.230 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001267828477 1180596477 /nfs/dbraw/zinc/59/64/77/1180596477.db2.gz YXXQOHLWIKPRBA-CHWSQXEVSA-N 2 0 348.318 2.151 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001267895996 1180711119 /nfs/dbraw/zinc/71/11/19/1180711119.db2.gz MMDQLGAQPSTRPI-QGZVFWFLSA-N 2 0 332.492 2.142 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C[NH2+]CCC(F)(F)F ZINC001268010690 1180968659 /nfs/dbraw/zinc/96/86/59/1180968659.db2.gz WAQFTMWZBAKIHC-CYBMUJFWSA-N 2 0 349.441 2.403 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC001481363575 1181133608 /nfs/dbraw/zinc/13/36/08/1181133608.db2.gz PPTMVGQKXUGAOT-MOPGFXCFSA-N 2 0 338.455 2.123 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)CCO1)[NH+](C)C ZINC001268030068 1181219672 /nfs/dbraw/zinc/21/96/72/1181219672.db2.gz MBZJJYWBSUFBSJ-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001481436931 1181338146 /nfs/dbraw/zinc/33/81/46/1181338146.db2.gz AOFHNWTVHHREKS-CRAIPNDOSA-N 2 0 348.466 2.033 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001268083355 1181698238 /nfs/dbraw/zinc/69/82/38/1181698238.db2.gz IXRJVDAIDDBFGQ-KRWDZBQOSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001268140298 1181801954 /nfs/dbraw/zinc/80/19/54/1181801954.db2.gz HAJLBVQEBQIWIV-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)on1 ZINC001268272762 1182122379 /nfs/dbraw/zinc/12/23/79/1182122379.db2.gz VWXDSKVVVGRMPO-AEFFLSMTSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366080 1182340428 /nfs/dbraw/zinc/34/04/28/1182340428.db2.gz KVTKGIBVOQVRHN-RBSFLKMASA-N 2 0 344.459 2.152 10 0 EEAERP CCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cncc2C)cc1 ZINC001268386290 1182421899 /nfs/dbraw/zinc/42/18/99/1182421899.db2.gz UOSCFELBVCYGGG-OAHLLOKOSA-N 2 0 328.460 2.439 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)ncn1 ZINC001268402310 1182498416 /nfs/dbraw/zinc/49/84/16/1182498416.db2.gz GIFQECQRNCTDTA-RDJZCZTQSA-N 2 0 347.507 2.034 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481745098 1182498573 /nfs/dbraw/zinc/49/85/73/1182498573.db2.gz RDDFHSQCKWUKJM-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268425093 1182597052 /nfs/dbraw/zinc/59/70/52/1182597052.db2.gz YSGJQUJVBSBONJ-TZMCWYRMSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1cncn1C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268462960 1182774419 /nfs/dbraw/zinc/77/44/19/1182774419.db2.gz UTEAXHDYPIODIW-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(C(C)C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268496909 1183018072 /nfs/dbraw/zinc/01/80/72/1183018072.db2.gz ARXDDIJLSLGFQE-INIZCTEOSA-N 2 0 332.492 2.095 10 0 EEAERP C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccccn1)NC(=O)CC[NH+](C)C ZINC001481962352 1183034807 /nfs/dbraw/zinc/03/48/07/1183034807.db2.gz QUVMSBJYVDGPTG-APWZRJJASA-N 2 0 332.492 2.188 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001268540036 1183204673 /nfs/dbraw/zinc/20/46/73/1183204673.db2.gz ZBUOIIYXGSDVFI-ZBADOCLRSA-N 2 0 341.499 2.141 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482060794 1183269447 /nfs/dbraw/zinc/26/94/47/1183269447.db2.gz SZKBQBRGCXVPCE-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001482100625 1183329555 /nfs/dbraw/zinc/32/95/55/1183329555.db2.gz GTLIAYHMFHLJHL-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482106597 1183341224 /nfs/dbraw/zinc/34/12/24/1183341224.db2.gz AVSYUOUJVRLKSR-MRXNPFEDSA-N 2 0 346.519 2.079 10 0 EEAERP Cc1ncc2n1C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccsc1)CC2 ZINC001268580814 1183364473 /nfs/dbraw/zinc/36/44/73/1183364473.db2.gz CPOVEXPHYZKKIZ-KZSQQDEKSA-N 2 0 344.484 2.278 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001268588226 1183387662 /nfs/dbraw/zinc/38/76/62/1183387662.db2.gz PPWZHCUWNWNODG-SNAWJCMRSA-N 2 0 329.488 2.407 10 0 EEAERP C[C@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001268650885 1183579858 /nfs/dbraw/zinc/57/98/58/1183579858.db2.gz CAGGOXKHFYEOSJ-ZIAGYGMSSA-N 2 0 330.432 2.088 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCc2ccccc2)CCCC1 ZINC001269531970 1184357801 /nfs/dbraw/zinc/35/78/01/1184357801.db2.gz CBZAMSLYQWHRSJ-SFHVURJKSA-N 2 0 329.488 2.342 10 0 EEAERP CCc1nocc1C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001269943432 1184736449 /nfs/dbraw/zinc/73/64/49/1184736449.db2.gz NPUXFPDQTAWCBS-UHFFFAOYSA-N 2 0 348.491 2.051 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001270188834 1184907199 /nfs/dbraw/zinc/90/71/99/1184907199.db2.gz SOWVTTMCPNHBBF-PMACEKPBSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001270647253 1185262386 /nfs/dbraw/zinc/26/23/86/1185262386.db2.gz BONVBIVGNPYBGH-GOSISDBHSA-N 2 0 336.480 2.104 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353845 1185490821 /nfs/dbraw/zinc/49/08/21/1185490821.db2.gz LTIHFVSQFFFMAG-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP COCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001271102002 1185886502 /nfs/dbraw/zinc/88/65/02/1185886502.db2.gz ONXNSIUXMCEFPQ-QAPCUYQASA-N 2 0 345.503 2.062 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CCO)C2CCCCC2)c1 ZINC001271353755 1186156678 /nfs/dbraw/zinc/15/66/78/1186156678.db2.gz JFYZRHTZHZNLIU-IBGZPJMESA-N 2 0 347.503 2.009 10 0 EEAERP COCCCC[NH+]1CCC2(CN(C(=O)CCCn3ccnc3)C2)CC1 ZINC001280394214 1186175380 /nfs/dbraw/zinc/17/53/80/1186175380.db2.gz FDYSGJACDCYMIR-UHFFFAOYSA-N 2 0 348.491 2.014 10 0 EEAERP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1[NH2+]CCCF ZINC001271413132 1186198677 /nfs/dbraw/zinc/19/86/77/1186198677.db2.gz AONVNNQCSBABJN-GDBMZVCRSA-N 2 0 345.422 2.067 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001482685807 1187653880 /nfs/dbraw/zinc/65/38/80/1187653880.db2.gz HTWRAULHUKKUNZ-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954693 1187882008 /nfs/dbraw/zinc/88/20/08/1187882008.db2.gz LXHQRTIDBHRBAW-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001691623252 1188322624 /nfs/dbraw/zinc/32/26/24/1188322624.db2.gz QAXFRALCYTXRHL-OAHLLOKOSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483067152 1188399469 /nfs/dbraw/zinc/39/94/69/1188399469.db2.gz AVJKGHBEHAFLOP-KTBRJVSMSA-N 2 0 342.487 2.169 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/CNC/C(Cl)=C\Cl ZINC001483097875 1188473533 /nfs/dbraw/zinc/47/35/33/1188473533.db2.gz MWJHZNNXROPBOA-QDDUOVFDSA-N 2 0 334.291 2.440 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483162566 1188986636 /nfs/dbraw/zinc/98/66/36/1188986636.db2.gz IWJLGJWZSWJSHG-QGZVFWFLSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001483228312 1189540534 /nfs/dbraw/zinc/54/05/34/1189540534.db2.gz NDCGSTQWKAUULV-YQVWRLOYSA-N 2 0 347.503 2.117 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001409428802 1189663986 /nfs/dbraw/zinc/66/39/86/1189663986.db2.gz OYBOIQNMXQFBSM-LSDHHAIUSA-N 2 0 330.476 2.493 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001409428798 1189664479 /nfs/dbraw/zinc/66/44/79/1189664479.db2.gz OYBOIQNMXQFBSM-HUUCEWRRSA-N 2 0 330.476 2.493 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001485915208 1193638796 /nfs/dbraw/zinc/63/87/96/1193638796.db2.gz TUNFEVBZKHXOEB-OAHLLOKOSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409483058 1189844074 /nfs/dbraw/zinc/84/40/74/1189844074.db2.gz YSMQERLYPYEOAZ-KGLIPLIRSA-N 2 0 344.459 2.341 10 0 EEAERP Cc1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001409632535 1190133295 /nfs/dbraw/zinc/13/32/95/1190133295.db2.gz ASDRIESBKCKXIR-XLIONFOSSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)s1 ZINC001483382285 1190426807 /nfs/dbraw/zinc/42/68/07/1190426807.db2.gz BAIMDIRICBKLGD-OLZOCXBDSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1nc(C)c(CN(C)C[C@H](C)NC(=O)C[C@H](C)n2ccnc2)o1 ZINC001483392506 1190436618 /nfs/dbraw/zinc/43/66/18/1190436618.db2.gz ZHHYCLLRISYVBA-STQMWFEESA-N 2 0 333.436 2.076 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)s1 ZINC001483409116 1190455340 /nfs/dbraw/zinc/45/53/40/1190455340.db2.gz RFUQVUCCDANPPA-SWLSCSKDSA-N 2 0 338.521 2.038 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CCc1c(F)cccc1F ZINC001483421750 1190468704 /nfs/dbraw/zinc/46/87/04/1190468704.db2.gz SHROVERMVSJABU-CQSZACIVSA-N 2 0 341.446 2.284 10 0 EEAERP CCc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001483475820 1190497278 /nfs/dbraw/zinc/49/72/78/1190497278.db2.gz YKONSEPHHPHTMP-HNNXBMFYSA-N 2 0 338.521 2.128 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC001483618732 1190598088 /nfs/dbraw/zinc/59/80/88/1190598088.db2.gz PICGEWXNSYIIIX-WBVHZDCISA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)c1cnc(CNC2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001483742925 1190894823 /nfs/dbraw/zinc/89/48/23/1190894823.db2.gz OKQUKIKGXILVGC-OAHLLOKOSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)c(C)n1 ZINC001483757187 1190982153 /nfs/dbraw/zinc/98/21/53/1190982153.db2.gz SXZOBNZZOLOMPN-UHFFFAOYSA-N 2 0 344.503 2.311 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001483794554 1191033880 /nfs/dbraw/zinc/03/38/80/1191033880.db2.gz INODZHYHCMRLOK-GFCCVEGCSA-N 2 0 336.307 2.149 10 0 EEAERP Cc1cc(C)c(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)c(C)c1 ZINC001483783260 1191036208 /nfs/dbraw/zinc/03/62/08/1191036208.db2.gz KOOFKUJAEWDMKT-UHFFFAOYSA-N 2 0 341.499 2.446 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001483801093 1191042566 /nfs/dbraw/zinc/04/25/66/1191042566.db2.gz GCTPEKXLAAAAIA-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](F)CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001483817249 1191045434 /nfs/dbraw/zinc/04/54/34/1191045434.db2.gz FFPIBKLQZSXHNO-OAHLLOKOSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ncoc1C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001483837451 1191088093 /nfs/dbraw/zinc/08/80/93/1191088093.db2.gz HJRIHVJCSZUKGJ-UHFFFAOYSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C)(NC(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC001483975878 1191138322 /nfs/dbraw/zinc/13/83/22/1191138322.db2.gz CGROCTRBLRWAKW-UHFFFAOYSA-N 2 0 348.491 2.330 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)CCC1 ZINC001484097528 1191209368 /nfs/dbraw/zinc/20/93/68/1191209368.db2.gz BHFIJODSKPKSJV-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484122799 1191226716 /nfs/dbraw/zinc/22/67/16/1191226716.db2.gz VRVGBAHVSZQNOX-YLJYHZDGSA-N 2 0 344.503 2.060 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484174679 1191260246 /nfs/dbraw/zinc/26/02/46/1191260246.db2.gz JPGZXUVBNUSBFO-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484196011 1191267935 /nfs/dbraw/zinc/26/79/35/1191267935.db2.gz OZGLXXVPJGJXJF-CABCVRRESA-N 2 0 331.451 2.058 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484525496 1191398710 /nfs/dbraw/zinc/39/87/10/1191398710.db2.gz HINFAJRPEUHIRD-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)on1 ZINC001484542895 1191402808 /nfs/dbraw/zinc/40/28/08/1191402808.db2.gz ZHSTXTXRDOGHJL-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2csc(Cl)n2)C1 ZINC001484535716 1191403849 /nfs/dbraw/zinc/40/38/49/1191403849.db2.gz JLHUOWJVOQTISP-LBPRGKRZSA-N 2 0 344.912 2.076 10 0 EEAERP CCC1([NH2+]Cc2cncs2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484818755 1191539329 /nfs/dbraw/zinc/53/93/29/1191539329.db2.gz AMEHWYMCEBJMSV-UHFFFAOYSA-N 2 0 348.516 2.100 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC001484898459 1191568337 /nfs/dbraw/zinc/56/83/37/1191568337.db2.gz XBWRATSTPRIBSU-YJBOKZPZSA-N 2 0 340.471 2.123 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001484983084 1191601233 /nfs/dbraw/zinc/60/12/33/1191601233.db2.gz VAUDQZNUMHHJMC-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001484978160 1191605245 /nfs/dbraw/zinc/60/52/45/1191605245.db2.gz AFQVTHBEWXDWLU-DOTOQJQBSA-N 2 0 349.523 2.059 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cncs2)ccc2c[nH+]cn21 ZINC001485166978 1191676566 /nfs/dbraw/zinc/67/65/66/1191676566.db2.gz DTOFSXLUKYWAAA-NEPJUHHUSA-N 2 0 343.456 2.396 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485185485 1191680486 /nfs/dbraw/zinc/68/04/86/1191680486.db2.gz FRHMVIKMWAJDEK-LSDHHAIUSA-N 2 0 330.476 2.493 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001485241406 1191706429 /nfs/dbraw/zinc/70/64/29/1191706429.db2.gz FRHSJZJNZATZMA-JBOPTNBHSA-N 2 0 327.900 2.440 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1C ZINC001485318572 1191733017 /nfs/dbraw/zinc/73/30/17/1191733017.db2.gz IUBDNICARAZUIX-SJLPKXTDSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC(F)(F)CC1 ZINC001485382706 1191768335 /nfs/dbraw/zinc/76/83/35/1191768335.db2.gz IIQSKRKMCTVBSR-HIFRSBDPSA-N 2 0 331.451 2.200 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2cnccn2)CCCCC1 ZINC001485459694 1191797619 /nfs/dbraw/zinc/79/76/19/1191797619.db2.gz ZLGQCDXKPLOINV-INIZCTEOSA-N 2 0 347.507 2.287 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)c(C)n1 ZINC001486181326 1193718459 /nfs/dbraw/zinc/71/84/59/1193718459.db2.gz SLXWGTIGYUZZJZ-AEFFLSMTSA-N 2 0 332.492 2.119 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1)[NH+](C)C ZINC001486438757 1193957897 /nfs/dbraw/zinc/95/78/97/1193957897.db2.gz YUAWUUUPXAEXQF-KBAYOESNSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2ncccc2C)CC1)[NH+](C)C ZINC001486450041 1193964771 /nfs/dbraw/zinc/96/47/71/1193964771.db2.gz YUGMLJPUVARUDD-QFBILLFUSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1=CC[NH+](Cc2ccccn2)CC1 ZINC001486521277 1194043686 /nfs/dbraw/zinc/04/36/86/1194043686.db2.gz USFPANNLTMQLID-CALCHBBNSA-N 2 0 342.487 2.203 10 0 EEAERP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001410109889 1197553183 /nfs/dbraw/zinc/55/31/83/1197553183.db2.gz AZIMJIRHKIMFRX-OWYHZJEWSA-N 2 0 341.499 2.383 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001410128262 1197559107 /nfs/dbraw/zinc/55/91/07/1197559107.db2.gz VAQLXJVFCCWTDL-OWYHZJEWSA-N 2 0 329.488 2.383 10 0 EEAERP CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156629 1198061374 /nfs/dbraw/zinc/06/13/74/1198061374.db2.gz KNJQNEGQNFRNTL-RDJZCZTQSA-N 2 0 330.538 2.431 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001273343625 1198253500 /nfs/dbraw/zinc/25/35/00/1198253500.db2.gz YIRHIIHPKVLUPP-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001273374231 1198390467 /nfs/dbraw/zinc/39/04/67/1198390467.db2.gz IIBJOPLTNSKGNL-KRWDZBQOSA-N 2 0 336.480 2.102 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H]1C[NH+](C)C ZINC000866012271 1198454471 /nfs/dbraw/zinc/45/44/71/1198454471.db2.gz WFYQNUULUSMQDY-CHWSQXEVSA-N 2 0 330.398 2.276 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001410856173 1198507643 /nfs/dbraw/zinc/50/76/43/1198507643.db2.gz NWRLJGOKQNDQPL-SUMWQHHRSA-N 2 0 339.430 2.038 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC001410892099 1198546339 /nfs/dbraw/zinc/54/63/39/1198546339.db2.gz CWXRLYYTKLQUPE-QUCCMNQESA-N 2 0 349.519 2.011 10 0 EEAERP CC[N@@H+]1CC[C@]2(NC(=O)CN(C)CCc3ccccc3)CCC[C@@H]12 ZINC001410893600 1198548104 /nfs/dbraw/zinc/54/81/04/1198548104.db2.gz GXZXFNIARGYTQQ-UYAOXDASSA-N 2 0 329.488 2.294 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cncc(C)c1)CC2 ZINC001410904846 1198562729 /nfs/dbraw/zinc/56/27/29/1198562729.db2.gz LQQLUKDTCDHQSW-UYAOXDASSA-N 2 0 344.503 2.345 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCCCO1)CC2 ZINC001410914064 1198568568 /nfs/dbraw/zinc/56/85/68/1198568568.db2.gz UTDLKQBVKVTLET-SCTDSRPQSA-N 2 0 337.508 2.011 10 0 EEAERP CCN(CC[NH2+]Cc1ccncc1Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001273420852 1198772948 /nfs/dbraw/zinc/77/29/48/1198772948.db2.gz PPKXSZQEODEOES-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1nc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)o1 ZINC001411115341 1198811088 /nfs/dbraw/zinc/81/10/88/1198811088.db2.gz WLRMEJVCULJYFC-XJKSGUPXSA-N 2 0 336.480 2.102 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1scnc1C)C(C)(C)C)[NH+](C)C ZINC001411211137 1198920366 /nfs/dbraw/zinc/92/03/66/1198920366.db2.gz VXMHNGBENXKDMW-UKRRQHHQSA-N 2 0 340.537 2.412 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001411255943 1198985133 /nfs/dbraw/zinc/98/51/33/1198985133.db2.gz WJXRNTIDUHLUOR-UHFFFAOYSA-N 2 0 345.487 2.136 10 0 EEAERP CC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CC1(C)C ZINC000875674139 1199340954 /nfs/dbraw/zinc/34/09/54/1199340954.db2.gz DUSLIQRDUCJHNY-NCOADZHNSA-N 2 0 338.540 2.192 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810647270 1199644106 /nfs/dbraw/zinc/64/41/06/1199644106.db2.gz FZZKLBCXTFYPFZ-JMLCCBQJSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)C[C@H]1C[NH+](C)C ZINC000870018910 1200410705 /nfs/dbraw/zinc/41/07/05/1200410705.db2.gz ZGAVAKCIMAFKRE-YJNKXOJESA-N 2 0 349.441 2.163 10 0 EEAERP C/C(=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000870021495 1200411579 /nfs/dbraw/zinc/41/15/79/1200411579.db2.gz GVMZXPCFBCZEPN-YLODTGQCSA-N 2 0 347.478 2.427 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000870021400 1200411708 /nfs/dbraw/zinc/41/17/08/1200411708.db2.gz DJVNTRSXHBLPMJ-HZPDHXFCSA-N 2 0 349.494 2.301 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000870919137 1200952912 /nfs/dbraw/zinc/95/29/12/1200952912.db2.gz SOZQKRGBEFYYOU-JRBPQWBISA-N 2 0 327.472 2.457 10 0 EEAERP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000866235501 1201473324 /nfs/dbraw/zinc/47/33/24/1201473324.db2.gz FEMJLRQQDNIRPW-KRWDZBQOSA-N 2 0 339.487 2.339 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@@H]2CCC[C@H]21 ZINC000866579014 1201552637 /nfs/dbraw/zinc/55/26/37/1201552637.db2.gz XEPIUKAJKRSRMK-GBESFXJTSA-N 2 0 342.487 2.174 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001274152273 1204410825 /nfs/dbraw/zinc/41/08/25/1204410825.db2.gz FQDWFIZZBHBJHD-FPLPWBNLSA-N 2 0 348.491 2.398 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001274252132 1204977169 /nfs/dbraw/zinc/97/71/69/1204977169.db2.gz SXCJMJFLXOQKLO-IRXDYDNUSA-N 2 0 341.540 2.073 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001274398871 1205021329 /nfs/dbraw/zinc/02/13/29/1205021329.db2.gz XRSSRLFLLKBBGG-UHFFFAOYSA-N 2 0 339.524 2.260 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001274578087 1205085163 /nfs/dbraw/zinc/08/51/63/1205085163.db2.gz FCIBJWIJQSWUSQ-AWFCHZOYSA-N 2 0 327.428 2.147 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274608232 1205095830 /nfs/dbraw/zinc/09/58/30/1205095830.db2.gz DUGBJVHWTAAXAK-HMECNJMJSA-N 2 0 344.503 2.272 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275274494 1205296260 /nfs/dbraw/zinc/29/62/60/1205296260.db2.gz QVBXJTLUXVKCLC-LPHOPBHVSA-N 2 0 331.504 2.370 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925495401 1205524268 /nfs/dbraw/zinc/52/42/68/1205524268.db2.gz MZRYAPGAYBZFIW-VQTJNVASSA-N 3 0 336.568 2.018 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276070486 1205760048 /nfs/dbraw/zinc/76/00/48/1205760048.db2.gz HINRWBJJTSIQMX-MJGOQNOKSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCCC1 ZINC001276243405 1205851465 /nfs/dbraw/zinc/85/14/65/1205851465.db2.gz BKCZRJGDUWTQFS-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)CO ZINC000924643761 1206009433 /nfs/dbraw/zinc/00/94/33/1206009433.db2.gz PHQLDLPMJCOGFE-PKOBYXMFSA-N 2 0 333.520 2.362 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924656969 1206012399 /nfs/dbraw/zinc/01/23/99/1206012399.db2.gz DXEPZCZBRXRGRY-QUCCMNQESA-N 2 0 347.551 2.057 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000924806547 1206034369 /nfs/dbraw/zinc/03/43/69/1206034369.db2.gz CXZPVAUMWBKOCV-LJQANCHMSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cn2c(n1)CCCC2 ZINC000924960454 1206055683 /nfs/dbraw/zinc/05/56/83/1206055683.db2.gz RHQBUEWMINYCSH-INIZCTEOSA-N 2 0 333.524 2.144 10 0 EEAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925027039 1206062306 /nfs/dbraw/zinc/06/23/06/1206062306.db2.gz FDIKXGWGQOWPJS-GOSISDBHSA-N 2 0 334.460 2.402 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925331679 1206098575 /nfs/dbraw/zinc/09/85/75/1206098575.db2.gz KNMOKUMIJQQQCI-QXAKKESOSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)CC1 ZINC000925474573 1206116639 /nfs/dbraw/zinc/11/66/39/1206116639.db2.gz CRGPFGBKTNSDSK-AABGKKOBSA-N 3 0 344.547 2.471 10 0 EEAERP CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925499190 1206119652 /nfs/dbraw/zinc/11/96/52/1206119652.db2.gz MOXFYRSEJHRHRB-YCCRMZCTSA-N 2 0 340.414 2.071 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCN[C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925528174 1206123590 /nfs/dbraw/zinc/12/35/90/1206123590.db2.gz YVOGPFNTORTGAP-FQEVSTJZSA-N 2 0 342.531 2.381 10 0 EEAERP C(Cc1nnc2n1CCCCC2)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925534260 1206124560 /nfs/dbraw/zinc/12/45/60/1206124560.db2.gz UFSYCSWCIXHICJ-SJORKVTESA-N 2 0 331.508 2.305 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C12CCC2 ZINC000925573789 1206130305 /nfs/dbraw/zinc/13/03/05/1206130305.db2.gz QNLVZTITXKEKPG-SFFUCWETSA-N 2 0 325.456 2.003 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925646245 1206139467 /nfs/dbraw/zinc/13/94/67/1206139467.db2.gz USQYDVHYCYXVTF-UGFHNGPFSA-N 2 0 337.489 2.229 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)ccn1 ZINC000925651853 1206140379 /nfs/dbraw/zinc/14/03/79/1206140379.db2.gz BBPWOHMQJNUIGZ-QZTJIDSGSA-N 2 0 332.492 2.129 10 0 EEAERP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849543 1206160512 /nfs/dbraw/zinc/16/05/12/1206160512.db2.gz PMBGCXUYNOYOTL-NVXWUHKLSA-N 2 0 331.460 2.068 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@](O)(CC)C(F)(F)F)C1 ZINC000929771145 1206500335 /nfs/dbraw/zinc/50/03/35/1206500335.db2.gz KLMKNFATAAWXRG-ZIAGYGMSSA-N 2 0 326.403 2.123 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)N[C@H]3CCCc4ccccc43)C[C@]2(C)C1 ZINC000933742256 1207831525 /nfs/dbraw/zinc/83/15/25/1207831525.db2.gz GCWYRKWQAUUONC-LMNJBCLMSA-N 2 0 341.499 2.454 10 0 EEAERP Cc1n[nH]cc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717985711 1211683685 /nfs/dbraw/zinc/68/36/85/1211683685.db2.gz REDXJCNOWCDYNG-UHFFFAOYSA-N 2 0 328.460 2.225 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2ccccn2)CC1 ZINC001276310488 1215547991 /nfs/dbraw/zinc/54/79/91/1215547991.db2.gz DLEIOFXLYRGNJE-UHFFFAOYSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@H](C)O1 ZINC000900980334 1235074421 /nfs/dbraw/zinc/07/44/21/1235074421.db2.gz JXNOAHIJGJDSLL-MHORFTMASA-N 2 0 337.508 2.009 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(C(F)(F)F)co1)C2 ZINC000903495086 1240665549 /nfs/dbraw/zinc/66/55/49/1240665549.db2.gz UGPBRGQWNOGXHC-PXWWUCIGSA-N 2 0 332.322 2.011 10 0 EEAERP c1ccc2c(c1)COC21CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903731526 1241756530 /nfs/dbraw/zinc/75/65/30/1241756530.db2.gz ABLOTQMAJHDWTN-HKUYNNGSSA-N 2 0 328.456 2.277 10 0 EEAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779218 1241922301 /nfs/dbraw/zinc/92/23/01/1241922301.db2.gz WOFOCOHZDMNXIY-APWZRJJASA-N 2 0 346.475 2.285 10 0 EEAERP c1c(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)n[nH]c1C1CC1 ZINC000903909891 1242438525 /nfs/dbraw/zinc/43/85/25/1242438525.db2.gz HUPBHZMMXBDFKJ-UHFFFAOYSA-N 2 0 337.471 2.255 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cnn1C ZINC000903912337 1242451795 /nfs/dbraw/zinc/45/17/95/1242451795.db2.gz DERBQQVPVUVRTP-BEFAXECRSA-N 2 0 346.450 2.138 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cnn1C ZINC000903937919 1242589906 /nfs/dbraw/zinc/58/99/06/1242589906.db2.gz VLJHSZZQRSDXEY-APWZRJJASA-N 2 0 334.508 2.270 10 0 EEAERP CN(c1ccccc1CNCc1cc(N)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000903951480 1242675728 /nfs/dbraw/zinc/67/57/28/1242675728.db2.gz YUIACWZYGQRHJY-UHFFFAOYSA-N 2 0 339.487 2.484 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(C)oc3ccccc31)C2 ZINC000903979081 1242837902 /nfs/dbraw/zinc/83/79/02/1242837902.db2.gz UZRAZFVZNZYMBJ-KSMMKXTCSA-N 2 0 328.412 2.454 10 0 EEAERP CO[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C)C1CCC1 ZINC001491235662 1258823459 /nfs/dbraw/zinc/82/34/59/1258823459.db2.gz FVJPORYNSLQBCP-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCCCCF)C1 ZINC001491299885 1258924398 /nfs/dbraw/zinc/92/43/98/1258924398.db2.gz JXEMOWCGWWLBEB-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP COCCC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001491366741 1259008763 /nfs/dbraw/zinc/00/87/63/1259008763.db2.gz VNXPQRYYEXMQQE-UHFFFAOYSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]Cc2cncc(F)c2)ccc2c[nH+]cn21 ZINC001491504712 1259155090 /nfs/dbraw/zinc/15/50/90/1259155090.db2.gz RHFKNZQWOVPXKK-GFCCVEGCSA-N 2 0 341.390 2.085 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)CC1 ZINC001273468136 1278559213 /nfs/dbraw/zinc/55/92/13/1278559213.db2.gz XCTSYFBBCWBATE-QGZVFWFLSA-N 2 0 332.492 2.284 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H]1CCOC1)[NH+](C)C ZINC001489322665 1290508860 /nfs/dbraw/zinc/50/88/60/1290508860.db2.gz LJHBZJRVZIMWHB-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001490455080 1291391438 /nfs/dbraw/zinc/39/14/38/1291391438.db2.gz PVJSMRZLIPOTHT-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760527 1292190092 /nfs/dbraw/zinc/19/00/92/1292190092.db2.gz HMMDSLYCOLUOFK-WMLDXEAASA-N 2 0 328.403 2.041 10 0 EEAERP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888235 1292226302 /nfs/dbraw/zinc/22/63/02/1292226302.db2.gz VTHCDUJWFUIJCM-APWZRJJASA-N 2 0 327.472 2.323 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](O)C3CC3)C2)ccn1 ZINC000856606070 1293578824 /nfs/dbraw/zinc/57/88/24/1293578824.db2.gz GXIPLAGOMGXNDR-RBUKOAKNSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861652676 1295489988 /nfs/dbraw/zinc/48/99/88/1295489988.db2.gz JYEZTQBJKHKGFO-AEFFLSMTSA-N 2 0 344.503 2.277 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000863210103 1296150749 /nfs/dbraw/zinc/15/07/49/1296150749.db2.gz LUAYAKPWMSEGSF-MRXNPFEDSA-N 2 0 340.581 2.445 10 0 EEAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544532 1296328206 /nfs/dbraw/zinc/32/82/06/1296328206.db2.gz WWFZKZRLHMBQKM-KNBMTAEXSA-N 2 0 342.439 2.484 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000863549333 1296330294 /nfs/dbraw/zinc/33/02/94/1296330294.db2.gz AEWMQMRKNADTTB-CEXWTWQISA-N 2 0 341.455 2.321 10 0 EEAERP O=C(Cc1cn2c(n1)CCCC2)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001276854002 1299936676 /nfs/dbraw/zinc/93/66/76/1299936676.db2.gz QFSZMNYMYGUUBQ-SFHVURJKSA-N 2 0 342.487 2.453 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001277851183 1304901964 /nfs/dbraw/zinc/90/19/64/1304901964.db2.gz FNWDGDFREMPDGY-WMZOPIPTSA-N 2 0 347.528 2.213 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001278302523 1309182583 /nfs/dbraw/zinc/18/25/83/1309182583.db2.gz ZGMJIHINTYHVQH-DLBZAZTESA-N 2 0 341.540 2.358 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CN1C(=O)CCCC[NH+](C)C ZINC001278416464 1310167207 /nfs/dbraw/zinc/16/72/07/1310167207.db2.gz NFXGXTXSDFNBGB-WMLDXEAASA-N 2 0 336.455 2.032 10 0 EEAERP COCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001278426161 1310211148 /nfs/dbraw/zinc/21/11/48/1310211148.db2.gz FYPFULJXEZBHJR-FQEVSTJZSA-N 2 0 347.503 2.021 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C(F)(F)F ZINC001278705635 1317803941 /nfs/dbraw/zinc/80/39/41/1317803941.db2.gz XSIWWVHXZFIJPL-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP CC(C)CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001278722962 1317863171 /nfs/dbraw/zinc/86/31/71/1317863171.db2.gz PZLSYRCJKMJZEF-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(F)c1Cl ZINC001491567860 1322509374 /nfs/dbraw/zinc/50/93/74/1322509374.db2.gz IELDWJGMAVPHCI-GFCCVEGCSA-N 2 0 341.858 2.415 10 0 EEAERP CCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001263988174 1322578594 /nfs/dbraw/zinc/57/85/94/1322578594.db2.gz HOWUOTCAOCTUBV-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+](C)CCC)C2 ZINC001264191587 1322658590 /nfs/dbraw/zinc/65/85/90/1322658590.db2.gz SZCAQRSYBKWLNR-UHFFFAOYSA-N 2 0 338.521 2.259 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)c1 ZINC001265021020 1322865428 /nfs/dbraw/zinc/86/54/28/1322865428.db2.gz BZSBLLVYMXWWSE-LJQANCHMSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001265456424 1323165290 /nfs/dbraw/zinc/16/52/90/1323165290.db2.gz SDQXYYDPJPCNSK-KRWDZBQOSA-N 2 0 344.434 2.223 10 0 EEAERP Cc1cncc(C[N@H+]2CCC[C@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001265594882 1323251390 /nfs/dbraw/zinc/25/13/90/1323251390.db2.gz MZDWVOGCXMQSQY-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccc(Cl)cc1 ZINC001265759532 1323367601 /nfs/dbraw/zinc/36/76/01/1323367601.db2.gz XHUZVGKGTOXOEU-WMLDXEAASA-N 2 0 337.895 2.461 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC[C@H](C)F)C2)CC1 ZINC001266027093 1323578277 /nfs/dbraw/zinc/57/82/77/1323578277.db2.gz YNMVPGJBEIUIJZ-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C[C@@H]1CC(C)(C)CO1 ZINC001266048975 1323598398 /nfs/dbraw/zinc/59/83/98/1323598398.db2.gz CILPXCJURNWSDS-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001266174645 1323742097 /nfs/dbraw/zinc/74/20/97/1323742097.db2.gz PAWLPKGDPXJUAT-OAHLLOKOSA-N 2 0 343.462 2.488 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266242040 1323831409 /nfs/dbraw/zinc/83/14/09/1323831409.db2.gz YIDBZGLIZARKAQ-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP CCOCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001279295092 1323865462 /nfs/dbraw/zinc/86/54/62/1323865462.db2.gz PGRQDLNCFDCAQA-ABHNRTSZSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1cnc(CN2CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC2)o1 ZINC001280770298 1324497787 /nfs/dbraw/zinc/49/77/87/1324497787.db2.gz OYGKDRRGICKDLL-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001281476074 1325146471 /nfs/dbraw/zinc/14/64/71/1325146471.db2.gz PAHSZRZMWJXCNS-MJGOQNOKSA-N 2 0 331.504 2.396 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001281496992 1325173003 /nfs/dbraw/zinc/17/30/03/1325173003.db2.gz CXQMGOUUMYGDKL-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCOC)C1 ZINC001281878801 1325497627 /nfs/dbraw/zinc/49/76/27/1325497627.db2.gz YBVIMMRUQMXBBQ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001283147761 1325934972 /nfs/dbraw/zinc/93/49/72/1325934972.db2.gz XLRKDLQFBGUYMS-ZFWWWQNUSA-N 2 0 336.480 2.014 10 0 EEAERP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCF)[C@H]3C2)CC1 ZINC001284094880 1326404046 /nfs/dbraw/zinc/40/40/46/1326404046.db2.gz BSURUASSZHBWJH-BZSNNMDCSA-N 2 0 339.499 2.295 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001284616943 1326633459 /nfs/dbraw/zinc/63/34/59/1326633459.db2.gz FABSNPLLRMXTOD-LBPRGKRZSA-N 2 0 325.419 2.401 10 0 EEAERP CC(C)OCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001284762374 1326700922 /nfs/dbraw/zinc/70/09/22/1326700922.db2.gz SEFWBSRYIYIMRQ-DAWZGUTISA-N 2 0 339.524 2.253 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001491772705 1330250319 /nfs/dbraw/zinc/25/03/19/1330250319.db2.gz XUGVMUKFEGEYRH-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCOCC2CCC2)C1)[NH+](C)C ZINC001491951831 1330343957 /nfs/dbraw/zinc/34/39/57/1330343957.db2.gz MTJUYEOULVAAIC-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001492078286 1330985411 /nfs/dbraw/zinc/98/54/11/1330985411.db2.gz RYRDRYSBRHYDDQ-OLZOCXBDSA-N 2 0 327.419 2.462 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001492175094 1331052908 /nfs/dbraw/zinc/05/29/08/1331052908.db2.gz BVAGWQAGTVIDCE-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CCc2ccccc2F)C1 ZINC001316850253 1331444324 /nfs/dbraw/zinc/44/43/24/1331444324.db2.gz CJXHUZLVHKBTKZ-INIZCTEOSA-N 2 0 335.467 2.148 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1OCC ZINC001316695716 1331649706 /nfs/dbraw/zinc/64/97/06/1331649706.db2.gz PVSRSUQNSFDJSJ-RTBURBONSA-N 2 0 347.503 2.225 10 0 EEAERP CN(CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1nccs1 ZINC001316835324 1331922994 /nfs/dbraw/zinc/92/29/94/1331922994.db2.gz NHHKVRYXJISTKQ-HUUCEWRRSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001316836240 1331923703 /nfs/dbraw/zinc/92/37/03/1331923703.db2.gz VDENYBAUUZGZPY-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC001316845091 1331930203 /nfs/dbraw/zinc/93/02/03/1331930203.db2.gz CPQLWBWRDSNWTO-IBGZPJMESA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001316943759 1332006035 /nfs/dbraw/zinc/00/60/35/1332006035.db2.gz LSLUBSLHJOBBKR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001317304928 1332172001 /nfs/dbraw/zinc/17/20/01/1332172001.db2.gz RLXQDHRPQRXLIG-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317355192 1332192222 /nfs/dbraw/zinc/19/22/22/1332192222.db2.gz DVUJABRUPXEQLM-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)no1 ZINC001317435757 1332239720 /nfs/dbraw/zinc/23/97/20/1332239720.db2.gz USIXJZVGLMNYOP-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001317654387 1332351442 /nfs/dbraw/zinc/35/14/42/1332351442.db2.gz NTOIYTBUXBZLDE-FQEVSTJZSA-N 2 0 329.488 2.071 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317656196 1332352693 /nfs/dbraw/zinc/35/26/93/1332352693.db2.gz WIIKVIAASNRTDE-HNNXBMFYSA-N 2 0 329.444 2.323 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317994471 1332458617 /nfs/dbraw/zinc/45/86/17/1332458617.db2.gz SRKNQYADLJHSMU-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001318366313 1332516797 /nfs/dbraw/zinc/51/67/97/1332516797.db2.gz YZCCEWKOUFMEKX-IEBWSBKVSA-N 2 0 347.503 2.232 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001318477089 1332547133 /nfs/dbraw/zinc/54/71/33/1332547133.db2.gz ANQZEWBWOUCYCQ-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCCOC)C2)C1 ZINC001318478426 1332548079 /nfs/dbraw/zinc/54/80/79/1332548079.db2.gz KLXVPBNUFXMGAZ-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001318567887 1332561618 /nfs/dbraw/zinc/56/16/18/1332561618.db2.gz JBZKDTUDQZDNSG-AWEZNQCLSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)CCC[NH+]1CCCC1 ZINC001318759810 1332590304 /nfs/dbraw/zinc/59/03/04/1332590304.db2.gz QGRNSTHYBXWCOZ-FUHWJXTLSA-N 2 0 327.488 2.487 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001318822694 1332604637 /nfs/dbraw/zinc/60/46/37/1332604637.db2.gz DHZIEXYYTXUWCW-FZZAOWMFSA-N 2 0 327.900 2.442 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CCCCC1 ZINC001319654184 1332734909 /nfs/dbraw/zinc/73/49/09/1332734909.db2.gz DERHDNFXXXPFES-DLBZAZTESA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001319667327 1332737599 /nfs/dbraw/zinc/73/75/99/1332737599.db2.gz FEHRMRMVEIWSIW-DOTOQJQBSA-N 2 0 327.488 2.485 10 0 EEAERP COCCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001319875442 1332790050 /nfs/dbraw/zinc/79/00/50/1332790050.db2.gz UIIPEUDUDAPLMJ-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320633705 1332925972 /nfs/dbraw/zinc/92/59/72/1332925972.db2.gz KANXSTQEWMTTIM-TZMCWYRMSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001320644017 1332927903 /nfs/dbraw/zinc/92/79/03/1332927903.db2.gz JANDYIISYUGHKL-LLVKDONJSA-N 2 0 332.901 2.121 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnccc1C ZINC001321083475 1333014611 /nfs/dbraw/zinc/01/46/11/1333014611.db2.gz KCOPBYONPMSTLU-XDXAGZTOSA-N 2 0 330.476 2.026 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001321230453 1333050409 /nfs/dbraw/zinc/05/04/09/1333050409.db2.gz CMBZQNGKOSVHDP-NHZBNJEXSA-N 2 0 333.451 2.491 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2Cl)C1 ZINC001321391798 1333093395 /nfs/dbraw/zinc/09/33/95/1333093395.db2.gz HZWGHRYLKXXLHI-PYLYLYNFSA-N 2 0 339.842 2.193 10 0 EEAERP Cc1cnc2cc(C(=O)N[C@H](C)C[NH2+]CCC3CCOCC3)ccn12 ZINC001321513697 1333116224 /nfs/dbraw/zinc/11/62/24/1333116224.db2.gz FMLXERDFHRJPSI-CQSZACIVSA-N 2 0 344.459 2.167 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@]3(CCN(C(=O)CCCC[NH+](C)C)C3)C2)o1 ZINC001323874647 1333564629 /nfs/dbraw/zinc/56/46/29/1333564629.db2.gz WASXMHMWWJAEAJ-IBGZPJMESA-N 2 0 348.491 2.139 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001324544559 1333705489 /nfs/dbraw/zinc/70/54/89/1333705489.db2.gz GPTGXXKUYITEBW-MOPGFXCFSA-N 2 0 344.503 2.379 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001324796905 1333761603 /nfs/dbraw/zinc/76/16/03/1333761603.db2.gz DQTIXZCQWYZKTD-AEFFLSMTSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001326288999 1334060552 /nfs/dbraw/zinc/06/05/52/1334060552.db2.gz PZCKRLUYWSBSRS-HKUYNNGSSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH+](C(C)(C)C)CC2)cc(Cl)n1 ZINC001326346712 1334073392 /nfs/dbraw/zinc/07/33/92/1334073392.db2.gz OAQJAYLSPZTPGO-AWEZNQCLSA-N 2 0 338.883 2.376 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001326429151 1334092125 /nfs/dbraw/zinc/09/21/25/1334092125.db2.gz AEXGRAOIJAIGLA-PMACEKPBSA-N 2 0 343.515 2.317 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001326524641 1334109718 /nfs/dbraw/zinc/10/97/18/1334109718.db2.gz DYDSJWJEJSVDML-BZSNNMDCSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001326988884 1334197602 /nfs/dbraw/zinc/19/76/02/1334197602.db2.gz FAWQOTRBWNYXNF-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001328956288 1334556028 /nfs/dbraw/zinc/55/60/28/1334556028.db2.gz XKDOYNCGSLBMRK-HFCFLWKCSA-N 2 0 347.478 2.194 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001329074365 1334580143 /nfs/dbraw/zinc/58/01/43/1334580143.db2.gz MUDXJGKYNHYPDA-NWDGAFQWSA-N 2 0 341.415 2.236 10 0 EEAERP CC(C)COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001329910083 1334738097 /nfs/dbraw/zinc/73/80/97/1334738097.db2.gz ZAAMCOYZDGDXAQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001330961882 1334935860 /nfs/dbraw/zinc/93/58/60/1334935860.db2.gz NAZIHMQLEXLCTI-DZGCQCFKSA-N 2 0 334.464 2.014 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001330976778 1334939370 /nfs/dbraw/zinc/93/93/70/1334939370.db2.gz LYCFGQGZAMWULI-WBVHZDCISA-N 2 0 333.476 2.021 10 0 EEAERP COCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001331530745 1335031765 /nfs/dbraw/zinc/03/17/65/1335031765.db2.gz ONPTXYSNEUSKEL-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001331927074 1335677869 /nfs/dbraw/zinc/67/78/69/1335677869.db2.gz SOFDPRABQBDNQT-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC001333458070 1336050877 /nfs/dbraw/zinc/05/08/77/1336050877.db2.gz MYABZTHJERSCEC-LJQANCHMSA-N 2 0 349.519 2.037 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001345139541 1337427860 /nfs/dbraw/zinc/42/78/60/1337427860.db2.gz AKXKFSYWYLUCRP-SJORKVTESA-N 2 0 334.439 2.012 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001480324723 1338001106 /nfs/dbraw/zinc/00/11/06/1338001106.db2.gz QOQVQPPKMXQCCZ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162198 1355888246 /nfs/dbraw/zinc/88/82/46/1355888246.db2.gz AVGRAXBVVUDONU-INIZCTEOSA-N 2 0 332.492 2.249 10 0 EEAERP CCc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001436331874 1342035557 /nfs/dbraw/zinc/03/55/57/1342035557.db2.gz PVJLVFIQCDSVAX-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2nccs2)C1 ZINC001670219061 1356298502 /nfs/dbraw/zinc/29/85/02/1356298502.db2.gz XLDZTHXJBHLLRU-HNNXBMFYSA-N 2 0 338.521 2.203 10 0 EEAERP CCC1([NH2+]Cc2nc(C)oc2C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502515593 1342201548 /nfs/dbraw/zinc/20/15/48/1342201548.db2.gz FAOZNTLCVZNEOM-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC001502635665 1342218929 /nfs/dbraw/zinc/21/89/29/1342218929.db2.gz UBURPBCTPHYGDD-UHFFFAOYSA-N 2 0 339.524 2.186 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCOCC1 ZINC001506572740 1342253869 /nfs/dbraw/zinc/25/38/69/1342253869.db2.gz MQWHAUBQTWVFMX-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](C[NH2+]CCCCCF)C1 ZINC001566893703 1342647700 /nfs/dbraw/zinc/64/77/00/1342647700.db2.gz MZNYCXQWXXOHAO-AEFFLSMTSA-N 2 0 339.499 2.296 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001566946135 1342657348 /nfs/dbraw/zinc/65/73/48/1342657348.db2.gz DIWOCHNBRRVBCM-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001567148742 1342701419 /nfs/dbraw/zinc/70/14/19/1342701419.db2.gz URUDVZAQMMNUGH-CVEARBPZSA-N 2 0 335.517 2.071 10 0 EEAERP COCc1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001567542068 1342782869 /nfs/dbraw/zinc/78/28/69/1342782869.db2.gz OJDROWLQNIPCBN-UHFFFAOYSA-N 2 0 347.503 2.255 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001567584196 1342788235 /nfs/dbraw/zinc/78/82/35/1342788235.db2.gz PVUVCRHGMNBHID-UHFFFAOYSA-N 2 0 347.503 2.364 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccn2)C1 ZINC001567742714 1342830634 /nfs/dbraw/zinc/83/06/34/1342830634.db2.gz QGLHEVUKUNWTEX-QGZVFWFLSA-N 2 0 332.492 2.094 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC001676063900 1357100208 /nfs/dbraw/zinc/10/02/08/1357100208.db2.gz ORPKTCLVRMKXDG-UHFFFAOYSA-N 2 0 338.883 2.110 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001571168972 1343165463 /nfs/dbraw/zinc/16/54/63/1343165463.db2.gz WQESPQCDRMUKGC-LUKYLMHMSA-N 2 0 327.488 2.482 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)C[NH+]1CCCC1 ZINC001676781736 1357198723 /nfs/dbraw/zinc/19/87/23/1357198723.db2.gz CVPYSRUEOHUMBZ-QFBILLFUSA-N 2 0 347.478 2.433 10 0 EEAERP COCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001676768781 1357197169 /nfs/dbraw/zinc/19/71/69/1357197169.db2.gz WNSZGLBCBHTUOP-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCCCCF)C(C)(C)C1)C1CCC1 ZINC001677003369 1357260028 /nfs/dbraw/zinc/26/00/28/1357260028.db2.gz FPZKLRBQQMPQDE-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOCC)C(C)(C)C1 ZINC001677004574 1357260471 /nfs/dbraw/zinc/26/04/71/1357260471.db2.gz WKDLEALUKXFTKU-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001649711392 1353568464 /nfs/dbraw/zinc/56/84/64/1353568464.db2.gz XMYLVKOCBZHLAO-CQSZACIVSA-N 2 0 328.420 2.121 10 0 EEAERP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CC2)cc1 ZINC001650042700 1353697645 /nfs/dbraw/zinc/69/76/45/1353697645.db2.gz VTHZROATSSTIFS-HKUYNNGSSA-N 2 0 344.503 2.305 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1cncc(F)c1 ZINC001660190091 1354412807 /nfs/dbraw/zinc/41/28/07/1354412807.db2.gz HJCHJHAFCIEDHC-ZWKOTPCHSA-N 2 0 348.466 2.176 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001660295619 1354433258 /nfs/dbraw/zinc/43/32/58/1354433258.db2.gz YFZZMDLDJPGFOZ-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCCN(C)Cc2ncc(Cl)s2)C1 ZINC001660304349 1354434594 /nfs/dbraw/zinc/43/45/94/1354434594.db2.gz YKLODTLMBRQQLK-LBPRGKRZSA-N 2 0 344.912 2.076 10 0 EEAERP COCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475761 1354470651 /nfs/dbraw/zinc/47/06/51/1354470651.db2.gz QDQPJATXQUDDEC-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cnoc1C ZINC001660605312 1354499271 /nfs/dbraw/zinc/49/92/71/1354499271.db2.gz HSKKPAGLDZFGHQ-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C[C@H]1CCCCO1 ZINC001660632672 1354505757 /nfs/dbraw/zinc/50/57/57/1354505757.db2.gz UODUPJHURONMNO-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001660845441 1354549754 /nfs/dbraw/zinc/54/97/54/1354549754.db2.gz XTGQFGJSKPUYMG-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001661436802 1354639050 /nfs/dbraw/zinc/63/90/50/1354639050.db2.gz PNZTZKAZSNSAJW-NCXUSEDFSA-N 2 0 349.519 2.057 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CCCCCF)C2)CCC1 ZINC001661787645 1354696802 /nfs/dbraw/zinc/69/68/02/1354696802.db2.gz CXRSNMNMNSTNFH-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001661897093 1354720380 /nfs/dbraw/zinc/72/03/80/1354720380.db2.gz ZTWSSXPQXLEMKH-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001661972045 1354730515 /nfs/dbraw/zinc/73/05/15/1354730515.db2.gz MPPXXQKVTMQWAA-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001662238649 1354766885 /nfs/dbraw/zinc/76/68/85/1354766885.db2.gz BIZLMBCAMUITKZ-NEPJUHHUSA-N 2 0 336.307 2.149 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662778588 1354844342 /nfs/dbraw/zinc/84/43/42/1354844342.db2.gz HUPISJIRJIXTEC-ROUUACIJSA-N 2 0 339.524 2.018 10 0 EEAERP Cn1cncc1CCC(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC001663120813 1354922617 /nfs/dbraw/zinc/92/26/17/1354922617.db2.gz YLWUQCYMHDLGBM-BCFOUKGLSA-N 2 0 338.883 2.466 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001665432960 1355308946 /nfs/dbraw/zinc/30/89/46/1355308946.db2.gz NEXNTOGXZCZSJZ-IRXDYDNUSA-N 2 0 325.472 2.287 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001666093875 1355448950 /nfs/dbraw/zinc/44/89/50/1355448950.db2.gz YXSLFZREORGCOX-AEFFLSMTSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCCF)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001667183340 1355667390 /nfs/dbraw/zinc/66/73/90/1355667390.db2.gz OQNRWDTXSHNIDP-CXAGYDPISA-N 2 0 332.423 2.443 10 0 EEAERP COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001667354006 1355718996 /nfs/dbraw/zinc/71/89/96/1355718996.db2.gz ZJMQIMLYXWSIPP-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCF ZINC001667494172 1355750478 /nfs/dbraw/zinc/75/04/78/1355750478.db2.gz SSMMILWQWOZUHL-WMLDXEAASA-N 2 0 333.467 2.289 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)C[NH+]1CCCC1 ZINC001668309790 1355920828 /nfs/dbraw/zinc/92/08/28/1355920828.db2.gz MKQVEAMMTSUWAV-LBPRGKRZSA-N 2 0 329.897 2.482 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001668605257 1355971311 /nfs/dbraw/zinc/97/13/11/1355971311.db2.gz VTFPETCRPWGAKP-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001668619177 1355973366 /nfs/dbraw/zinc/97/33/66/1355973366.db2.gz HKDUGOFNNBWMMF-UHFFFAOYSA-N 2 0 329.488 2.071 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668881939 1356032787 /nfs/dbraw/zinc/03/27/87/1356032787.db2.gz BYEJLKJRXSGRFM-SUSYHVFKSA-N 2 0 341.446 2.311 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001669137855 1356104116 /nfs/dbraw/zinc/10/41/16/1356104116.db2.gz FEFWWKPIIRDTFG-KEGWNNHHSA-N 2 0 327.472 2.414 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cn1)[NH+]1CCCC1 ZINC001669208796 1356127065 /nfs/dbraw/zinc/12/70/65/1356127065.db2.gz VZWOQZCWOUCLOE-JXCVUKRWSA-N 2 0 348.466 2.103 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001670129683 1356281422 /nfs/dbraw/zinc/28/14/22/1356281422.db2.gz COMPBVOHPTWNIT-GOSISDBHSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001670144784 1356284854 /nfs/dbraw/zinc/28/48/54/1356284854.db2.gz SIACHESJUDVMEW-LJQANCHMSA-N 2 0 331.504 2.454 10 0 EEAERP CN(CCC[NH2+]Cc1nccs1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001670357373 1356326195 /nfs/dbraw/zinc/32/61/95/1356326195.db2.gz CMFULTKYQNUQGA-UHFFFAOYSA-N 2 0 346.500 2.457 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)on1 ZINC001670358049 1356326633 /nfs/dbraw/zinc/32/66/33/1356326633.db2.gz ZXMRPOLKTCXKIJ-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001672229670 1356485028 /nfs/dbraw/zinc/48/50/28/1356485028.db2.gz YXZWDVFOBUZODF-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001673650501 1356726753 /nfs/dbraw/zinc/72/67/53/1356726753.db2.gz JVXRLXVMQSNUEA-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP COCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001673962046 1356765594 /nfs/dbraw/zinc/76/55/94/1356765594.db2.gz SJIRUTCRQFRNJF-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001690620954 1404930624 /nfs/dbraw/zinc/93/06/24/1404930624.db2.gz KMGVZNINEJONML-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001698915198 1405156945 /nfs/dbraw/zinc/15/69/45/1405156945.db2.gz WYAOEEUNEFVPBD-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001698916718 1405158986 /nfs/dbraw/zinc/15/89/86/1405158986.db2.gz LZGQGZZRDIWWQS-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)o1 ZINC001698917022 1405160398 /nfs/dbraw/zinc/16/03/98/1405160398.db2.gz HCFBZGNTPYDDCH-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699101403 1405254775 /nfs/dbraw/zinc/25/47/75/1405254775.db2.gz WJRBNPWEQISEJA-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699106547 1405261180 /nfs/dbraw/zinc/26/11/80/1405261180.db2.gz NBXWPRKJHHBHRV-LLVKDONJSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699139957 1405291042 /nfs/dbraw/zinc/29/10/42/1405291042.db2.gz CAZSYTJWHHZILH-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC=C(Cl)Cl ZINC001699258043 1405299942 /nfs/dbraw/zinc/29/99/42/1405299942.db2.gz TVOJIZBNODGHBB-SCOBNMCVSA-N 2 0 334.291 2.440 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)c2cnc[nH]2)o1 ZINC001699545581 1405380353 /nfs/dbraw/zinc/38/03/53/1405380353.db2.gz WCAMWBREDLUIHQ-ZDUSSCGKSA-N 2 0 333.436 2.183 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCCCCF)C3)C1 ZINC001699697880 1405451880 /nfs/dbraw/zinc/45/18/80/1405451880.db2.gz ULTWSVQCKUESTD-PKOBYXMFSA-N 2 0 339.499 2.392 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)C1 ZINC001699843703 1405522885 /nfs/dbraw/zinc/52/28/85/1405522885.db2.gz COTFDGGQIMGSCH-QZTJIDSGSA-N 2 0 345.478 2.387 10 0 EEAERP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780129 775486044 /nfs/dbraw/zinc/48/60/44/775486044.db2.gz RWXJHIGCRIRKBG-WDEREUQCSA-N 2 0 346.809 2.287 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc(Cl)n1 ZINC000846694585 790417804 /nfs/dbraw/zinc/41/78/04/790417804.db2.gz QUIWZCUHKUKJHF-KCPJHIHWSA-N 2 0 338.883 2.409 10 0 EEAERP CC[N@H+](C)C[C@H](O)CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705935610 784827253 /nfs/dbraw/zinc/82/72/53/784827253.db2.gz TVMUMIAYYMZXSW-PCCBWWKXSA-N 2 0 345.531 2.143 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000819052765 785376814 /nfs/dbraw/zinc/37/68/14/785376814.db2.gz DPCKKJSBRCYVIF-UYAOXDASSA-N 2 0 331.504 2.095 10 0 EEAERP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000912809441 788377382 /nfs/dbraw/zinc/37/73/82/788377382.db2.gz GZSPLPPWFCKRDG-SJLPKXTDSA-N 2 0 332.492 2.487 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711342513 788726464 /nfs/dbraw/zinc/72/64/64/788726464.db2.gz MKCOLTRYXJGBRO-NJAFHUGGSA-N 2 0 329.488 2.259 10 0 EEAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@]2(C)C1 ZINC000913276294 788752813 /nfs/dbraw/zinc/75/28/13/788752813.db2.gz HOCOZWJPPKXUME-HMXCVIKNSA-N 2 0 341.499 2.309 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000913281122 788756631 /nfs/dbraw/zinc/75/66/31/788756631.db2.gz LNWOGEMNSSDUQO-RLLQIKCJSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000923393810 789487264 /nfs/dbraw/zinc/48/72/64/789487264.db2.gz YKWAXJIVJAXBFB-ONCXSQPRSA-N 2 0 348.487 2.096 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923490533 789659665 /nfs/dbraw/zinc/65/96/65/789659665.db2.gz DHSRPJLQHNVPNH-MGPQQGTHSA-N 2 0 346.393 2.362 10 0 EEAERP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502513 789667220 /nfs/dbraw/zinc/66/72/20/789667220.db2.gz ZIYXCPFQRQUGOG-QLFBSQMISA-N 2 0 333.501 2.431 10 0 EEAERP CC(C)[NH+](CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000913859240 794402894 /nfs/dbraw/zinc/40/28/94/794402894.db2.gz NPHDFUAHTNDWEB-GOSISDBHSA-N 2 0 349.523 2.492 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921684442 794598627 /nfs/dbraw/zinc/59/86/27/794598627.db2.gz AKLDEUGBBGTUSQ-KRWDZBQOSA-N 2 0 330.520 2.324 10 0 EEAERP CSC1(C[NH2+]Cc2nc(Br)c[nH]2)CC[NH+](C)CC1 ZINC000922137586 799091901 /nfs/dbraw/zinc/09/19/01/799091901.db2.gz BRVRXJOHYBXTOX-UHFFFAOYSA-N 2 0 333.299 2.089 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000922416742 801027809 /nfs/dbraw/zinc/02/78/09/801027809.db2.gz JLYXHDUTXLNYIA-IDCNUPLLSA-N 2 0 332.492 2.378 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794342882 810781656 /nfs/dbraw/zinc/78/16/56/810781656.db2.gz IBOMQUNFQSHHDS-UHFFFAOYSA-N 2 0 348.491 2.251 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566075594 1125548393 /nfs/dbraw/zinc/54/83/93/1125548393.db2.gz TXHDPALRZLCHLN-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(Cl)cc1F ZINC001566516146 1125687897 /nfs/dbraw/zinc/68/78/97/1125687897.db2.gz AMPOUUVRRDZGGC-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001436474393 1087939903 /nfs/dbraw/zinc/93/99/03/1087939903.db2.gz HGRWIBYJSOXNDR-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001436708101 1088173231 /nfs/dbraw/zinc/17/32/31/1088173231.db2.gz UNMLOYVZJGVHKL-UHFFFAOYSA-N 2 0 332.492 2.153 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C2CC2)c(C)n1 ZINC001436794848 1088360833 /nfs/dbraw/zinc/36/08/33/1088360833.db2.gz XSCYPZYDSKLLRH-LJQANCHMSA-N 2 0 344.503 2.167 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC001436818931 1088413966 /nfs/dbraw/zinc/41/39/66/1088413966.db2.gz KOYVSVMJCCICQY-KRWDZBQOSA-N 2 0 329.444 2.369 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccns1)C1CC1 ZINC001436836006 1088461228 /nfs/dbraw/zinc/46/12/28/1088461228.db2.gz WJDWQTXIJCPXPO-JKSUJKDBSA-N 2 0 336.505 2.002 10 0 EEAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001436895185 1088546388 /nfs/dbraw/zinc/54/63/88/1088546388.db2.gz MFBLHCSUULQNNI-BPLDGKMQSA-N 2 0 340.418 2.405 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C)cs2)C1)[NH+](CC)CC ZINC001436969426 1088661564 /nfs/dbraw/zinc/66/15/64/1088661564.db2.gz UFZTZDPAHIPUOL-ZNMIVQPWSA-N 2 0 338.521 2.309 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1Cl ZINC001437128897 1089117084 /nfs/dbraw/zinc/11/70/84/1089117084.db2.gz SMWUSHYNBIHNRX-OCCSQVGLSA-N 2 0 339.867 2.037 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437156562 1089158573 /nfs/dbraw/zinc/15/85/73/1089158573.db2.gz OCQZTYZMDVWTNL-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP CC(C)Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001437260900 1089403339 /nfs/dbraw/zinc/40/33/39/1089403339.db2.gz MDRWOCBWUBOOPL-QFBILLFUSA-N 2 0 331.504 2.431 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1)C1CCC1 ZINC001437330607 1089507634 /nfs/dbraw/zinc/50/76/34/1089507634.db2.gz LZULJMWNFZPLOB-KBPBESRZSA-N 2 0 336.505 2.144 10 0 EEAERP COCc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001437344042 1089547933 /nfs/dbraw/zinc/54/79/33/1089547933.db2.gz DAWXEFXPEZAWKM-IBGZPJMESA-N 2 0 347.503 2.208 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001437422138 1089706042 /nfs/dbraw/zinc/70/60/42/1089706042.db2.gz MAWBSJKOIRDAHE-CABCVRRESA-N 2 0 344.459 2.469 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001437659605 1090189079 /nfs/dbraw/zinc/18/90/79/1090189079.db2.gz MJRBTZUSCBUHSQ-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nc(C[NH+]2CC[C@H](CCNC(=O)[C@@H]3CCCC[N@H+]3C)C2)oc1C ZINC001437925763 1090518389 /nfs/dbraw/zinc/51/83/89/1090518389.db2.gz BLKYLSHJSJUKCL-IRXDYDNUSA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cnccc2C)C1)[NH+](C)C ZINC001437951453 1090548859 /nfs/dbraw/zinc/54/88/59/1090548859.db2.gz XCBWWRVYCDHVLB-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCF)C1)[NH+]1CCCCC1 ZINC001437994343 1090593798 /nfs/dbraw/zinc/59/37/98/1090593798.db2.gz WHDYCOWZEICZGK-SJORKVTESA-N 2 0 327.488 2.247 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CC/C=C\c3ccccc3)C2)C1 ZINC001438164526 1090676593 /nfs/dbraw/zinc/67/65/93/1090676593.db2.gz XVQHGIILKMDKOS-STISFXCESA-N 2 0 341.499 2.480 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cnc(C)s1 ZINC001438320923 1090795494 /nfs/dbraw/zinc/79/54/94/1090795494.db2.gz GEORJEVCHAEQQC-CQSZACIVSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cc(C[NH2+]CC2(NC(=O)[C@H]3CCC[N@H+]3C)CCCC2)sn1 ZINC001438387980 1090874262 /nfs/dbraw/zinc/87/42/62/1090874262.db2.gz ZAZCLUYDMUAAJU-OAHLLOKOSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC001438545323 1091037136 /nfs/dbraw/zinc/03/71/36/1091037136.db2.gz BHRHNAPCEUOZTC-CQSZACIVSA-N 2 0 344.459 2.200 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cnccc2C)CC[N@@H+]1C ZINC001438653739 1091140618 /nfs/dbraw/zinc/14/06/18/1091140618.db2.gz OGMZIZNMCINCKQ-RYQLBKOJSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438707527 1091220805 /nfs/dbraw/zinc/22/08/05/1091220805.db2.gz GLUNSRVFRAIBAG-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001445598441 1091392286 /nfs/dbraw/zinc/39/22/86/1091392286.db2.gz KZCHNOCNMXABEB-ZOBUZTSGSA-N 2 0 332.492 2.023 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCC(F)(F)F ZINC001445768941 1091626181 /nfs/dbraw/zinc/62/61/81/1091626181.db2.gz XCRGAQPAQPIVLM-ZIAGYGMSSA-N 2 0 337.430 2.496 10 0 EEAERP Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)CC[C@@H]32)c1 ZINC001438950121 1091640014 /nfs/dbraw/zinc/64/00/14/1091640014.db2.gz MALKGQLYEOCIAX-MOPGFXCFSA-N 2 0 329.488 2.370 10 0 EEAERP COc1cc(C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)ccc1C ZINC001445848875 1091758451 /nfs/dbraw/zinc/75/84/51/1091758451.db2.gz FWRHMGNUOFRACY-WMZOPIPTSA-N 2 0 347.503 2.282 10 0 EEAERP CCc1ccccc1CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445868918 1091791925 /nfs/dbraw/zinc/79/19/25/1091791925.db2.gz LSVQFOMZAJEHQB-KRWDZBQOSA-N 2 0 331.504 2.324 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)n1 ZINC001445899127 1091826075 /nfs/dbraw/zinc/82/60/75/1091826075.db2.gz NVDYWDYMEGDLCE-SJLPKXTDSA-N 2 0 349.523 2.180 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC001439213285 1091857741 /nfs/dbraw/zinc/85/77/41/1091857741.db2.gz IMQAZLYCEXBMNN-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC001445973628 1091928622 /nfs/dbraw/zinc/92/86/22/1091928622.db2.gz YWPPOKOAAFAEEX-MRXNPFEDSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](C[N@H+](C)CC[C@H]1CCCCO1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439355745 1092070057 /nfs/dbraw/zinc/07/00/57/1092070057.db2.gz QVCGMGFNQWROHI-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001439415998 1092184878 /nfs/dbraw/zinc/18/48/78/1092184878.db2.gz FYVSPKDUCOXHSG-RDJZCZTQSA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001439461819 1092241402 /nfs/dbraw/zinc/24/14/02/1092241402.db2.gz HLUBMKARZJGGID-JKSUJKDBSA-N 2 0 343.462 2.391 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CC2)CC1 ZINC001439484556 1092291693 /nfs/dbraw/zinc/29/16/93/1092291693.db2.gz QXOWZSDZWYQGJY-KRWDZBQOSA-N 2 0 335.517 2.464 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)CC[NH+]3CCCCC3)CC2)c(C)n1 ZINC001446292674 1092453570 /nfs/dbraw/zinc/45/35/70/1092453570.db2.gz DAXMTKQILLAKLJ-UHFFFAOYSA-N 2 0 344.503 2.313 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)C12CCC[NH+]1CCC2 ZINC001439627633 1092542711 /nfs/dbraw/zinc/54/27/11/1092542711.db2.gz KFJBHHIZRVXLOB-IXDOHACOSA-N 2 0 331.504 2.289 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1coc(C)n1 ZINC001439827715 1092819037 /nfs/dbraw/zinc/81/90/37/1092819037.db2.gz VRGUIRARTFTRBK-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001439853903 1092874734 /nfs/dbraw/zinc/87/47/34/1092874734.db2.gz BGRJCSBRKKLIHP-LPHOPBHVSA-N 2 0 333.451 2.248 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001439855437 1092878276 /nfs/dbraw/zinc/87/82/76/1092878276.db2.gz TZFHAKVWSBLBOT-KXBFYZLASA-N 2 0 333.451 2.248 10 0 EEAERP CC[C@H](F)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439934783 1093023544 /nfs/dbraw/zinc/02/35/44/1093023544.db2.gz TXKTVHNCPXRWLM-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1)C2 ZINC001440114803 1093176696 /nfs/dbraw/zinc/17/66/96/1093176696.db2.gz UTKYVRBNOSSNIW-OTWHNJEPSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)n1ccnc1 ZINC001440304184 1093430896 /nfs/dbraw/zinc/43/08/96/1093430896.db2.gz MBPBXEQOCBPISX-NCOADZHNSA-N 2 0 348.491 2.134 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001448471024 1093484584 /nfs/dbraw/zinc/48/45/84/1093484584.db2.gz NIHPPPOXRGYULQ-FGTMMUONSA-N 2 0 344.503 2.140 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001440363410 1093528595 /nfs/dbraw/zinc/52/85/95/1093528595.db2.gz VEVIBMCNQDAIRR-JYJNAYRXSA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccns1 ZINC001448545098 1093584828 /nfs/dbraw/zinc/58/48/28/1093584828.db2.gz BUZPGJMPOUBJOW-FVQBIDKESA-N 2 0 338.521 2.104 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001448663772 1093732001 /nfs/dbraw/zinc/73/20/01/1093732001.db2.gz ZUFAIELWJKTSPT-RHSMWYFYSA-N 2 0 335.517 2.069 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cnoc2C)CC1 ZINC001440604385 1093869255 /nfs/dbraw/zinc/86/92/55/1093869255.db2.gz JCACZSMLFSGVSB-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ncccc1C)CC2)[NH+](C)C ZINC001449013941 1094015090 /nfs/dbraw/zinc/01/50/90/1094015090.db2.gz OAMFSTQASIMZGK-BJLQDIEVSA-N 2 0 344.503 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3coc(C)n3)[C@H]2C1 ZINC001449045342 1094060589 /nfs/dbraw/zinc/06/05/89/1094060589.db2.gz OZNVIHLRFSTSDG-SZMVWBNQSA-N 2 0 348.491 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3coc(C)n3)[C@@H]2C1 ZINC001449045322 1094060732 /nfs/dbraw/zinc/06/07/32/1094060732.db2.gz OZNVIHLRFSTSDG-JQHSSLGASA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001449077111 1094090504 /nfs/dbraw/zinc/09/05/04/1094090504.db2.gz JFMSBLLNTDGCAF-DZGCQCFKSA-N 2 0 349.441 2.353 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)Cc1ccc(F)cc1 ZINC001440921443 1094175665 /nfs/dbraw/zinc/17/56/65/1094175665.db2.gz DMNSDPOJKGWNSC-KSSFIOAISA-N 2 0 333.451 2.104 10 0 EEAERP C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C)n1ccnc1 ZINC001449224638 1094177702 /nfs/dbraw/zinc/17/77/02/1094177702.db2.gz FXYYNXPEWNKXPO-HOTGVXAUSA-N 2 0 338.496 2.022 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccnc1 ZINC001440981813 1094244760 /nfs/dbraw/zinc/24/47/60/1094244760.db2.gz DDYZQGMIJJXNTP-AEFFLSMTSA-N 2 0 332.492 2.281 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001449348227 1094305186 /nfs/dbraw/zinc/30/51/86/1094305186.db2.gz TZBBOLZRCXYHOC-MRXNPFEDSA-N 2 0 344.503 2.283 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccnc2C)C1)[NH+](CC)CC ZINC001441183560 1094539764 /nfs/dbraw/zinc/53/97/64/1094539764.db2.gz LHGOTNUOPPCUHE-QFBILLFUSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCc2cccs2)C1 ZINC001441213284 1094577758 /nfs/dbraw/zinc/57/77/58/1094577758.db2.gz STDMDVCLKGHJCO-HUUCEWRRSA-N 2 0 335.517 2.069 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC3CC3)C[C@H]2C1)C1CCC1 ZINC001441335350 1094811557 /nfs/dbraw/zinc/81/15/57/1094811557.db2.gz GOBZDRUAMGFHFO-RCCFBDPRSA-N 2 0 333.520 2.488 10 0 EEAERP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441367377 1094893601 /nfs/dbraw/zinc/89/36/01/1094893601.db2.gz VMMQPVWBVOEZJG-TVFCKZIOSA-N 2 0 339.524 2.016 10 0 EEAERP CO[C@H](C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001441595962 1095435036 /nfs/dbraw/zinc/43/50/36/1095435036.db2.gz TVALABCBNANPTJ-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ns2)[C@H]1C ZINC001441824895 1095870064 /nfs/dbraw/zinc/87/00/64/1095870064.db2.gz NEBAWUMCHCAOLE-ZBFHGGJFSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001441848109 1095931155 /nfs/dbraw/zinc/93/11/55/1095931155.db2.gz WYFHSAOXTHYSQC-SJORKVTESA-N 2 0 343.515 2.370 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441869750 1095982966 /nfs/dbraw/zinc/98/29/66/1095982966.db2.gz KBLPLQHPBXGQSX-AWEZNQCLSA-N 2 0 348.491 2.329 10 0 EEAERP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001441880793 1096003749 /nfs/dbraw/zinc/00/37/49/1096003749.db2.gz SPXHYEUZSQIULO-UHKIINPBSA-N 2 0 325.884 2.051 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001442175867 1096442983 /nfs/dbraw/zinc/44/29/83/1096442983.db2.gz VBAVESGTHQCQBM-UONOGXRCSA-N 2 0 338.521 2.248 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001442196186 1096473915 /nfs/dbraw/zinc/47/39/15/1096473915.db2.gz QAAYAHFMCUYUDD-ZIAGYGMSSA-N 2 0 339.430 2.434 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001442203245 1096487146 /nfs/dbraw/zinc/48/71/46/1096487146.db2.gz YELUOANVUZHONV-VXGBXAGGSA-N 2 0 344.912 2.265 10 0 EEAERP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001442237272 1096536786 /nfs/dbraw/zinc/53/67/86/1096536786.db2.gz ZRMFEYGFAKBOLB-JLAWEPINSA-N 2 0 344.503 2.343 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](Cc3cnoc3C)CC2)CC1 ZINC001442265794 1096569548 /nfs/dbraw/zinc/56/95/48/1096569548.db2.gz GFVGJOKTAFKAPX-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001442294319 1096609790 /nfs/dbraw/zinc/60/97/90/1096609790.db2.gz JZOUNNKAHHGJII-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP O=C(NCCN(Cc1ccccn1)C1CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001443016049 1097428212 /nfs/dbraw/zinc/42/82/12/1097428212.db2.gz KIEPGVYNWSFTIN-RTBURBONSA-N 2 0 342.487 2.179 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCCF)C2)C1 ZINC001443320498 1097809378 /nfs/dbraw/zinc/80/93/78/1097809378.db2.gz IVUBUVWXAZVPMV-IAGOWNOFSA-N 2 0 327.488 2.248 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001443636228 1098131398 /nfs/dbraw/zinc/13/13/98/1098131398.db2.gz QGQLBMJKNUTNBV-OAHLLOKOSA-N 2 0 333.476 2.146 10 0 EEAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001444032015 1098550665 /nfs/dbraw/zinc/55/06/65/1098550665.db2.gz JGLRZZHKRAVYAS-LSDHHAIUSA-N 2 0 343.462 2.392 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001479581064 1098618173 /nfs/dbraw/zinc/61/81/73/1098618173.db2.gz OWUHHKSHJJKVFB-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)CC2)co1 ZINC001444192545 1098744601 /nfs/dbraw/zinc/74/46/01/1098744601.db2.gz OIDMEFUVGKKEGU-QAQDUYKDSA-N 2 0 348.491 2.376 10 0 EEAERP C[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828574 1099108190 /nfs/dbraw/zinc/10/81/90/1099108190.db2.gz BRLQCBOZZYGGMP-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCc1ccccc1F)CC2 ZINC001479985560 1099443842 /nfs/dbraw/zinc/44/38/42/1099443842.db2.gz REDRENJTVXBJMZ-GOSISDBHSA-N 2 0 347.478 2.291 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)Cc2cncs2)C1 ZINC001480084125 1099633338 /nfs/dbraw/zinc/63/33/38/1099633338.db2.gz GEIAYZSHKWWDHZ-HNNXBMFYSA-N 2 0 338.521 2.155 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cncs2)[C@H](C)C1 ZINC001444797974 1099715367 /nfs/dbraw/zinc/71/53/67/1099715367.db2.gz XKAAOUNWPPQIAG-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001444817878 1099747817 /nfs/dbraw/zinc/74/78/17/1099747817.db2.gz NKCVSZQKNFXZDZ-HZPDHXFCSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189652 1099787946 /nfs/dbraw/zinc/78/79/46/1099787946.db2.gz QHOLIPOBQYXYLZ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480208657 1099816103 /nfs/dbraw/zinc/81/61/03/1099816103.db2.gz YTSXSLKVCKHYCJ-OKILXGFUSA-N 2 0 334.464 2.019 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001480221228 1099839171 /nfs/dbraw/zinc/83/91/71/1099839171.db2.gz RFPVAIYJVQLIJM-BETUJISGSA-N 2 0 325.403 2.043 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001480266894 1099960476 /nfs/dbraw/zinc/96/04/76/1099960476.db2.gz AUAYYFLOXKSWKE-MSOLQXFVSA-N 2 0 344.503 2.060 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001480296531 1100011161 /nfs/dbraw/zinc/01/11/61/1100011161.db2.gz BXTSGNAYHFEVOV-QTONRWBISA-N 2 0 327.900 2.299 10 0 EEAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480350548 1100119713 /nfs/dbraw/zinc/11/97/13/1100119713.db2.gz WYKKFEBXQARBJS-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001480352088 1100122267 /nfs/dbraw/zinc/12/22/67/1100122267.db2.gz QLZBDLWXIDKSNV-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C)c(OCC[N@@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001445087232 1100305362 /nfs/dbraw/zinc/30/53/62/1100305362.db2.gz SOGVOXQSAXKJBS-UHFFFAOYSA-N 2 0 347.503 2.168 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1Cl ZINC001480589771 1100439148 /nfs/dbraw/zinc/43/91/48/1100439148.db2.gz CDGCQTZZPPMKLK-NEPJUHHUSA-N 2 0 327.831 2.025 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496206838 1100748635 /nfs/dbraw/zinc/74/86/35/1100748635.db2.gz LXMQHILKPRGMEI-AEFFLSMTSA-N 2 0 343.515 2.454 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496208801 1100751496 /nfs/dbraw/zinc/75/14/96/1100751496.db2.gz YFOPZYVLKSMNNV-WMZOPIPTSA-N 2 0 346.519 2.031 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001495137125 1100808353 /nfs/dbraw/zinc/80/83/53/1100808353.db2.gz JVGXMSQZRNVXFA-DOTOQJQBSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H](C)C2)c(C)o1 ZINC001446449013 1100869041 /nfs/dbraw/zinc/86/90/41/1100869041.db2.gz TVYAJOFMJHTAGE-CJNGLKHVSA-N 2 0 336.480 2.102 10 0 EEAERP COCc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)c1 ZINC001446452883 1100873432 /nfs/dbraw/zinc/87/34/32/1100873432.db2.gz YBCIZVZPQUHWSW-LPHOPBHVSA-N 2 0 347.503 2.254 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCF)C1CCCCC1)C12CCC[NH+]1CCC2 ZINC001496311340 1100902966 /nfs/dbraw/zinc/90/29/66/1100902966.db2.gz HROZDWSEJKHZLI-INIZCTEOSA-N 2 0 325.472 2.239 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001496372108 1100965689 /nfs/dbraw/zinc/96/56/89/1100965689.db2.gz VGQFSEBHXACZME-RDJZCZTQSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446550890 1101020586 /nfs/dbraw/zinc/02/05/86/1101020586.db2.gz AMKNAPUMSSWBBC-FXAWDEMLSA-N 2 0 329.488 2.152 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001496559106 1101160689 /nfs/dbraw/zinc/16/06/89/1101160689.db2.gz TWJZRRLTIXEECI-OALUTQOASA-N 2 0 346.519 2.493 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001496562037 1101163431 /nfs/dbraw/zinc/16/34/31/1101163431.db2.gz ONQYCRYWXZGLHN-UONOGXRCSA-N 2 0 348.318 2.378 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c(C)n1 ZINC001495467075 1101178037 /nfs/dbraw/zinc/17/80/37/1101178037.db2.gz QOXOCGPLJVCVBX-IYARVYRRSA-N 2 0 332.492 2.167 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC001446683461 1101236185 /nfs/dbraw/zinc/23/61/85/1101236185.db2.gz NTDJTRQEXWJMNL-YVWKXTFCSA-N 2 0 344.503 2.140 10 0 EEAERP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001446723217 1101292679 /nfs/dbraw/zinc/29/26/79/1101292679.db2.gz GRHGZBMSXRQOPR-CVEARBPZSA-N 2 0 345.478 2.448 10 0 EEAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001495730566 1101495771 /nfs/dbraw/zinc/49/57/71/1101495771.db2.gz SMVGPRZNEFWALP-LSDHHAIUSA-N 2 0 345.478 2.496 10 0 EEAERP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496817143 1101524407 /nfs/dbraw/zinc/52/44/07/1101524407.db2.gz SVDKLHFWUNQTHU-APWZRJJASA-N 2 0 329.488 2.406 10 0 EEAERP CN(CC[N@H+](C)CCc1ccccc1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001496827124 1101545726 /nfs/dbraw/zinc/54/57/26/1101545726.db2.gz ISHOIWRCZWXZSV-FQEVSTJZSA-N 2 0 329.488 2.105 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001495815692 1101635142 /nfs/dbraw/zinc/63/51/42/1101635142.db2.gz RLSRXXFQRJFSMN-ZIAGYGMSSA-N 2 0 337.430 2.401 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001446965874 1101673781 /nfs/dbraw/zinc/67/37/81/1101673781.db2.gz COVVXHUBOWEUPM-DZGCQCFKSA-N 2 0 331.451 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC2CCCCCC2)CCO1 ZINC001495886840 1101720657 /nfs/dbraw/zinc/72/06/57/1101720657.db2.gz YYIRAPHIEANKEP-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1)OC ZINC001495930912 1101780873 /nfs/dbraw/zinc/78/08/73/1101780873.db2.gz ULWCNPQKXXYKBM-INIZCTEOSA-N 2 0 339.524 2.304 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1ocnc1C ZINC001447041510 1101827807 /nfs/dbraw/zinc/82/78/07/1101827807.db2.gz MPWUYPBVQYOREK-DLBZAZTESA-N 2 0 348.491 2.280 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001495978541 1101882330 /nfs/dbraw/zinc/88/23/30/1101882330.db2.gz OMCMVRYTKFDBQF-OAHLLOKOSA-N 2 0 343.462 2.298 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001496077440 1102019603 /nfs/dbraw/zinc/01/96/03/1102019603.db2.gz GWVCCUXKGWWBOL-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496078108 1102020288 /nfs/dbraw/zinc/02/02/88/1102020288.db2.gz GTRQAYVRLBZYKQ-LBPRGKRZSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@H](C[NH2+]Cc1ccn(C)n1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001496130071 1102114656 /nfs/dbraw/zinc/11/46/56/1102114656.db2.gz SIURQBBHUHOKOE-MRXNPFEDSA-N 2 0 349.523 2.011 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497266252 1102220534 /nfs/dbraw/zinc/22/05/34/1102220534.db2.gz XTURPEHSDVFSGC-MLGOLLRUSA-N 2 0 340.537 2.331 10 0 EEAERP C[C@@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497269236 1102227040 /nfs/dbraw/zinc/22/70/40/1102227040.db2.gz XJHFRIVKPPHLEK-JKSUJKDBSA-N 2 0 341.540 2.264 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497271911 1102229421 /nfs/dbraw/zinc/22/94/21/1102229421.db2.gz PKSIOVFPYKNGKT-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cncs1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497600201 1102728295 /nfs/dbraw/zinc/72/82/95/1102728295.db2.gz ZGYOZUYXYGFIAZ-REMYHPOOSA-N 2 0 348.516 2.312 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCOC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497661999 1102849788 /nfs/dbraw/zinc/84/97/88/1102849788.db2.gz IUDPNQBWRAYNOB-GFXSFYIYSA-N 2 0 349.519 2.082 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]Cc1cncs1)[NH+]1CCCCCC1 ZINC001497689609 1102909774 /nfs/dbraw/zinc/90/97/74/1102909774.db2.gz AHIMZRYMOBSIOZ-MBVDDHJVSA-N 2 0 336.505 2.170 10 0 EEAERP CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001447594135 1102940058 /nfs/dbraw/zinc/94/00/58/1102940058.db2.gz ZDGMQLSKBMIBEE-GOSISDBHSA-N 2 0 343.515 2.498 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001447601460 1102953254 /nfs/dbraw/zinc/95/32/54/1102953254.db2.gz PCPBFAFAHXRADO-SFHVURJKSA-N 2 0 346.519 2.447 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001497895039 1103274229 /nfs/dbraw/zinc/27/42/29/1103274229.db2.gz JXZGHFIHEFDYEZ-HUUCEWRRSA-N 2 0 333.476 2.192 10 0 EEAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001447803385 1103365817 /nfs/dbraw/zinc/36/58/17/1103365817.db2.gz BCFAWPBYKSODLD-SLTAFYQDSA-N 2 0 345.422 2.113 10 0 EEAERP CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2C)C1)[NH+](C)C ZINC001447818273 1103380083 /nfs/dbraw/zinc/38/00/83/1103380083.db2.gz FZAFFWNKQOUFLO-IUPXNIOVSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H]([NH2+]CCc1ccns1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001447881299 1103507255 /nfs/dbraw/zinc/50/72/55/1103507255.db2.gz HDRKQZGHFUZLQH-KGLIPLIRSA-N 2 0 338.521 2.043 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001447905484 1103562940 /nfs/dbraw/zinc/56/29/40/1103562940.db2.gz JQBVUDMTGOIWEE-VXGBXAGGSA-N 2 0 325.419 2.400 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCc1ccns1 ZINC001447916391 1103589472 /nfs/dbraw/zinc/58/94/72/1103589472.db2.gz WFHXOZZUYXABSU-KBPBESRZSA-N 2 0 340.537 2.146 10 0 EEAERP CC[C@@H](C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001494150907 1103609430 /nfs/dbraw/zinc/60/94/30/1103609430.db2.gz WQXAXWBCEGCTHZ-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001448221226 1104205625 /nfs/dbraw/zinc/20/56/25/1104205625.db2.gz KVOFGABOGGNEAB-KRWDZBQOSA-N 2 0 330.476 2.085 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001448221985 1104206428 /nfs/dbraw/zinc/20/64/28/1104206428.db2.gz QMVMIUFNMBTCCM-SJORKVTESA-N 2 0 339.499 2.485 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCc2ccccc21 ZINC001494668417 1104253975 /nfs/dbraw/zinc/25/39/75/1104253975.db2.gz PLVGBZWZCKGFQF-JENIJYKNSA-N 2 0 327.472 2.301 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCC(F)(F)C2)CC1 ZINC001494667571 1104254181 /nfs/dbraw/zinc/25/41/81/1104254181.db2.gz SMHGCIJOUIEGND-KKUMJFAQSA-N 2 0 341.446 2.049 10 0 EEAERP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001494874542 1104484436 /nfs/dbraw/zinc/48/44/36/1104484436.db2.gz GXKDRTVGZPFZKG-GOSISDBHSA-N 2 0 347.503 2.377 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cncc(F)c1 ZINC001494990835 1104635166 /nfs/dbraw/zinc/63/51/66/1104635166.db2.gz WCBYKSUSHGNHQM-SJORKVTESA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncc(F)c1 ZINC001494998641 1104640046 /nfs/dbraw/zinc/64/00/46/1104640046.db2.gz FXQXQYSEDYQPKU-DLBZAZTESA-N 2 0 336.455 2.080 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001498050856 1106841518 /nfs/dbraw/zinc/84/15/18/1106841518.db2.gz NDRPNUMLOLEKFD-ZDUSSCGKSA-N 2 0 336.480 2.185 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498055983 1106851018 /nfs/dbraw/zinc/85/10/18/1106851018.db2.gz ZTQWLVLXYCUMOI-ZFWWWQNUSA-N 2 0 336.480 2.014 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cnc(C)s2)C1 ZINC001498098356 1106918313 /nfs/dbraw/zinc/91/83/13/1106918313.db2.gz AUPHPSSQUUQCMK-DZGCQCFKSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001498131102 1106963497 /nfs/dbraw/zinc/96/34/97/1106963497.db2.gz VNDVHHLKTUOOPA-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161248 1107005049 /nfs/dbraw/zinc/00/50/49/1107005049.db2.gz UNVJODYNWOPRLH-SJCJKPOMSA-N 2 0 349.425 2.142 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480769951 1107079920 /nfs/dbraw/zinc/07/99/20/1107079920.db2.gz ICNJBVVWEOBJLI-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001480776289 1107096553 /nfs/dbraw/zinc/09/65/53/1107096553.db2.gz OUGAVLXRZDHOKB-OAHLLOKOSA-N 2 0 344.503 2.311 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001498382408 1107426687 /nfs/dbraw/zinc/42/66/87/1107426687.db2.gz VRXHIWKWYHYGTN-HOCLYGCPSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC[NH+]1CCCCC1 ZINC001454777859 1107632581 /nfs/dbraw/zinc/63/25/81/1107632581.db2.gz ZLJMUGDGTIXRPU-WMZOPIPTSA-N 2 0 346.523 2.135 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1F)C1CC1 ZINC001498871847 1108253291 /nfs/dbraw/zinc/25/32/91/1108253291.db2.gz DCMGZBPNNUJREK-KRWDZBQOSA-N 2 0 339.430 2.289 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001498873656 1108257205 /nfs/dbraw/zinc/25/72/05/1108257205.db2.gz JFLFXMBVVXNXCG-KBPBESRZSA-N 2 0 335.414 2.298 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c(C)n1 ZINC001493589410 1108364342 /nfs/dbraw/zinc/36/43/42/1108364342.db2.gz GFGBWXIUJSVLRR-RTBURBONSA-N 2 0 344.503 2.263 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001493613343 1108404768 /nfs/dbraw/zinc/40/47/68/1108404768.db2.gz NTAPFOMTOILFTB-UHFFFAOYSA-N 2 0 329.488 2.296 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493727478 1108576733 /nfs/dbraw/zinc/57/67/33/1108576733.db2.gz YAVDNDRJVRYBQQ-RDJZCZTQSA-N 2 0 348.491 2.110 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC[NH+]1CCCCCC1 ZINC001460416224 1110278027 /nfs/dbraw/zinc/27/80/27/1110278027.db2.gz LMDQBOGQESSOAU-AEFFLSMTSA-N 2 0 346.523 2.135 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC001465583994 1110420236 /nfs/dbraw/zinc/42/02/36/1110420236.db2.gz XQYPPEFLZTUTBH-CVEARBPZSA-N 2 0 341.858 2.493 10 0 EEAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001472115440 1110543669 /nfs/dbraw/zinc/54/36/69/1110543669.db2.gz KDJRXLAPRNOSJX-AEFFLSMTSA-N 2 0 347.478 2.496 10 0 EEAERP CCOC(=O)CC(C)(C)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001473678329 1110578852 /nfs/dbraw/zinc/57/88/52/1110578852.db2.gz XHSMCYSRNWRGNY-MRXNPFEDSA-N 2 0 328.497 2.399 10 0 EEAERP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC001479319421 1110680630 /nfs/dbraw/zinc/68/06/30/1110680630.db2.gz JNCSFEKYJNCTBR-NFAWXSAZSA-N 2 0 339.430 2.462 10 0 EEAERP Cc1cncn1CC(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001499289861 1112220243 /nfs/dbraw/zinc/22/02/43/1112220243.db2.gz LANITNURQURFSZ-UHFFFAOYSA-N 2 0 326.444 2.247 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001499577453 1112383913 /nfs/dbraw/zinc/38/39/13/1112383913.db2.gz VXILCKVNDMXOCB-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001500003763 1112574361 /nfs/dbraw/zinc/57/43/61/1112574361.db2.gz ZHHDFAHATQVHJM-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](CC2CCOCC2)CC1 ZINC001500005579 1112575886 /nfs/dbraw/zinc/57/58/86/1112575886.db2.gz FPLRFKBZTHALCK-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001500112364 1112623112 /nfs/dbraw/zinc/62/31/12/1112623112.db2.gz VGGGPIQEGOBGHK-VQIMIIECSA-N 2 0 344.503 2.188 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CCCC2)C1 ZINC001500125369 1112629528 /nfs/dbraw/zinc/62/95/28/1112629528.db2.gz HPNBDTLWSDUEKB-IAGOWNOFSA-N 2 0 335.517 2.464 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccns1)C1CCCC1 ZINC001500131984 1112631681 /nfs/dbraw/zinc/63/16/81/1112631681.db2.gz XDNYVWCEQAUCTR-MRXNPFEDSA-N 2 0 338.521 2.248 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](C[NH2+]Cc2ccccn2)CC1 ZINC001501190027 1113235051 /nfs/dbraw/zinc/23/50/51/1113235051.db2.gz MAWUNGZTVYRNJB-IYARVYRRSA-N 2 0 344.503 2.190 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001501545070 1113377498 /nfs/dbraw/zinc/37/74/98/1113377498.db2.gz WZIJJMBHQGJCME-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001501631841 1113406951 /nfs/dbraw/zinc/40/69/51/1113406951.db2.gz GFZQRRJZHLTSLY-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP CC1CC(C[NH+]2CCC3(CN(C(=O)C4(C[NH+](C)C)CC4)C3)CC2)C1 ZINC001501741937 1113458286 /nfs/dbraw/zinc/45/82/86/1113458286.db2.gz JCSRGFWRQKEORJ-UHFFFAOYSA-N 2 0 333.520 2.299 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1C ZINC001502986348 1113867862 /nfs/dbraw/zinc/86/78/62/1113867862.db2.gz KKDCOVPUMJIAFO-AEFFLSMTSA-N 2 0 347.503 2.424 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456574 1113990415 /nfs/dbraw/zinc/99/04/15/1113990415.db2.gz YIBXQTOQEFYGNG-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001505625279 1114093554 /nfs/dbraw/zinc/09/35/54/1114093554.db2.gz IHKYLTYBVBGENA-STQMWFEESA-N 2 0 336.480 2.013 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001505724985 1114152922 /nfs/dbraw/zinc/15/29/22/1114152922.db2.gz NTXPCZDMRNLOKT-QWHCGFSZSA-N 2 0 327.419 2.289 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001505760726 1114174788 /nfs/dbraw/zinc/17/47/88/1114174788.db2.gz OJZKNAMIPOEUQS-CVEARBPZSA-N 2 0 347.503 2.082 10 0 EEAERP COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)c1C ZINC001505945364 1114293894 /nfs/dbraw/zinc/29/38/94/1114293894.db2.gz CFQVGBNBDBWKCQ-MAUKXSAKSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001505994791 1114328412 /nfs/dbraw/zinc/32/84/12/1114328412.db2.gz LIRZOHANOQLBSZ-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506039540 1114366693 /nfs/dbraw/zinc/36/66/93/1114366693.db2.gz WGCGRAFPKVLJCO-SJLPKXTDSA-N 2 0 343.515 2.454 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC001506879339 1114946443 /nfs/dbraw/zinc/94/64/43/1114946443.db2.gz VRSIDUMEHLUNRX-ZHALLVOQSA-N 2 0 345.487 2.034 10 0 EEAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001507116876 1115116719 /nfs/dbraw/zinc/11/67/19/1115116719.db2.gz VTNNHNFMQPBJOE-KGLIPLIRSA-N 2 0 331.451 2.200 10 0 EEAERP COc1ccc(CC[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001507381449 1115240890 /nfs/dbraw/zinc/24/08/90/1115240890.db2.gz IPKNGYLMUDKOTL-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1C[C@H]([NH2+]CCOC)C(C)(C)C1)c1ccccc1 ZINC001507449655 1115275722 /nfs/dbraw/zinc/27/57/22/1115275722.db2.gz IQZQUVZFSHNONE-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP COC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001507801775 1115348959 /nfs/dbraw/zinc/34/89/59/1115348959.db2.gz KCMVLFIQNRPDSE-DLBZAZTESA-N 2 0 327.513 2.063 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001567895185 1124162124 /nfs/dbraw/zinc/16/21/24/1124162124.db2.gz MGGRHTUQYSIEAD-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001545571145 1124196419 /nfs/dbraw/zinc/19/64/19/1124196419.db2.gz BHQIAYDTHIKXRI-YESZJQIVSA-N 2 0 348.539 2.416 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001568533696 1124596279 /nfs/dbraw/zinc/59/62/79/1124596279.db2.gz VDJKNNNFHRHUCG-AEFFLSMTSA-N 2 0 335.467 2.248 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC001568684565 1124695970 /nfs/dbraw/zinc/69/59/70/1124695970.db2.gz GCGORLKYBXHAQB-ZBFHGGJFSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568685277 1124696907 /nfs/dbraw/zinc/69/69/07/1124696907.db2.gz TZOWIHJENZBXLM-ZBFHGGJFSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001568919831 1124947804 /nfs/dbraw/zinc/94/78/04/1124947804.db2.gz JQNBEMDDNPAGAL-RCAFFNEUSA-N 2 0 341.499 2.279 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001568939272 1124971599 /nfs/dbraw/zinc/97/15/99/1124971599.db2.gz LNSMIMNIANDPIQ-ONEGZZNKSA-N 2 0 329.488 2.489 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C2CC2)no1 ZINC001569201750 1125161107 /nfs/dbraw/zinc/16/11/07/1125161107.db2.gz JITFJQOXIYFCEU-SFHVURJKSA-N 2 0 348.491 2.363 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)on1 ZINC001569202607 1125161482 /nfs/dbraw/zinc/16/14/82/1125161482.db2.gz DPTGENTZQKJSBE-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)c2ccc3c[nH+]cn3c2C)co1 ZINC001569217236 1125172596 /nfs/dbraw/zinc/17/25/96/1125172596.db2.gz GTRXMZYMNNBDRQ-UHFFFAOYSA-N 2 0 341.415 2.191 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccns1 ZINC001569218248 1125173449 /nfs/dbraw/zinc/17/34/49/1125173449.db2.gz OIWLCXVYTNXXMI-MRXNPFEDSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001569258711 1125200201 /nfs/dbraw/zinc/20/02/01/1125200201.db2.gz GAYNVHUWTSQEDZ-MRXNPFEDSA-N 2 0 340.537 2.284 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000248132043 282184274 /nfs/dbraw/zinc/18/42/74/282184274.db2.gz WQKMFPKSWAKMAJ-KURKYZTESA-N 2 0 330.476 2.167 10 0 EEAERP Cc1ccc(OC[C@H](O)C[NH2+]CCC[NH+](C)C)c(Br)c1 ZINC000037851710 213171894 /nfs/dbraw/zinc/17/18/94/213171894.db2.gz IVDAZJFVLCLYAM-CYBMUJFWSA-N 2 0 345.281 2.039 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791511 240229489 /nfs/dbraw/zinc/22/94/89/240229489.db2.gz YPVFKTYFLWFJPK-HIFRSBDPSA-N 2 0 339.867 2.179 10 0 EEAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnccc1N ZINC000423035925 240337541 /nfs/dbraw/zinc/33/75/41/240337541.db2.gz SKGNGRBMJLCLSY-MAUKXSAKSA-N 2 0 340.471 2.302 10 0 EEAERP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423469029 240494757 /nfs/dbraw/zinc/49/47/57/240494757.db2.gz CCSXLOXRJHUNLV-TZMCWYRMSA-N 2 0 342.281 2.121 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCC(O)CC1 ZINC000268804211 252257482 /nfs/dbraw/zinc/25/74/82/252257482.db2.gz BXSKGPNWEWULMD-GHTZIAJQSA-N 2 0 345.531 2.333 10 0 EEAERP COc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)ccc1S(C)(=O)=O ZINC000268811218 252262332 /nfs/dbraw/zinc/26/23/32/252262332.db2.gz BBBIYHCEBWTRTJ-ZDUSSCGKSA-N 2 0 328.478 2.091 10 0 EEAERP O=S(=O)(CC[NH+]1CCCC12CCC2)CC[N@@H+]1CCCC12CCC2 ZINC000373107894 285036762 /nfs/dbraw/zinc/03/67/62/285036762.db2.gz XVOWYOLTTJPYAA-UHFFFAOYSA-N 2 0 340.533 2.438 10 0 EEAERP CC[N@H+](Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1)C(C)C ZINC000116789113 285097873 /nfs/dbraw/zinc/09/78/73/285097873.db2.gz GFOIDOJTBRCQKQ-IBGZPJMESA-N 2 0 347.503 2.320 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000097395092 219022048 /nfs/dbraw/zinc/02/20/48/219022048.db2.gz MSOYZYIBIJFUNJ-OALUTQOASA-N 2 0 348.535 2.435 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC4CCOCC4)CC3)C2)cc1 ZINC000271256302 256225521 /nfs/dbraw/zinc/22/55/21/256225521.db2.gz GYUTTXKVOUOMKX-NRFANRHFSA-N 2 0 343.515 2.305 10 0 EEAERP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000272904196 256248217 /nfs/dbraw/zinc/24/82/17/256248217.db2.gz IZYIPSROYQVXHG-OAHLLOKOSA-N 2 0 331.460 2.007 10 0 EEAERP CCC[NH2+]Cc1cc(Br)cnc1N1CC[NH+](CC)CC1 ZINC000051436658 132180961 /nfs/dbraw/zinc/18/09/61/132180961.db2.gz SBMWDRMPXTZBDQ-UHFFFAOYSA-N 2 0 341.297 2.486 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000074713457 292176852 /nfs/dbraw/zinc/17/68/52/292176852.db2.gz HFXRTKWCESQOIA-UHFFFAOYSA-N 2 0 336.524 2.378 10 0 EEAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)C[C@H]2C1 ZINC000424266676 286114454 /nfs/dbraw/zinc/11/44/54/286114454.db2.gz JIKCACMNWTUEGX-SGWQFOAVSA-N 2 0 335.536 2.338 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000119125083 292241590 /nfs/dbraw/zinc/24/15/90/292241590.db2.gz YBCCXAQWUZEKTP-ABHNRTSZSA-N 2 0 336.524 2.377 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441825 160392808 /nfs/dbraw/zinc/39/28/08/160392808.db2.gz AWAACQPUAQMKBU-RBUKOAKNSA-N 2 0 342.487 2.313 10 0 EEAERP C[C@H]1CCC[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000098093531 159250013 /nfs/dbraw/zinc/25/00/13/159250013.db2.gz GPOBMBHTZDLQBG-INIZCTEOSA-N 2 0 333.476 2.089 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185168654 160029217 /nfs/dbraw/zinc/02/92/17/160029217.db2.gz FPJFBCJUPLHZDH-IAGOWNOFSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246364093 160275949 /nfs/dbraw/zinc/27/59/49/160275949.db2.gz FQDBJYQQTPRMBG-IRXDYDNUSA-N 2 0 336.524 2.377 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246486784 160281325 /nfs/dbraw/zinc/28/13/25/160281325.db2.gz WBDKEYNAYDDMDZ-CSNJMZFVSA-N 2 0 336.524 2.421 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccnc1 ZINC000345196986 161280803 /nfs/dbraw/zinc/28/08/03/161280803.db2.gz AZISDTDHFLVYPO-WMZOPIPTSA-N 2 0 332.492 2.060 10 0 EEAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376489626 167336879 /nfs/dbraw/zinc/33/68/79/167336879.db2.gz CZXIQSKXQSUFQN-CPFNUKBASA-N 2 0 334.508 2.272 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000376693616 167376601 /nfs/dbraw/zinc/37/66/01/167376601.db2.gz BHXSTVLMXKAAOT-LZQZEXGQSA-N 2 0 342.487 2.298 10 0 EEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000236893802 287651633 /nfs/dbraw/zinc/65/16/33/287651633.db2.gz RMSFGJKHPPMKIP-YXJHDRRASA-N 2 0 345.487 2.464 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246117732 274095878 /nfs/dbraw/zinc/09/58/78/274095878.db2.gz IERACQKRLQIRRA-GUDVDZBRSA-N 2 0 348.535 2.400 10 0 EEAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179672 275063176 /nfs/dbraw/zinc/06/31/76/275063176.db2.gz HZAFDCAPUFZDSE-IBGZPJMESA-N 2 0 339.487 2.135 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000289474277 275119143 /nfs/dbraw/zinc/11/91/43/275119143.db2.gz XJPHTSZPVGRVBO-RTWAWAEBSA-N 2 0 344.547 2.438 10 0 EEAERP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291682978 275329621 /nfs/dbraw/zinc/32/96/21/275329621.db2.gz CPEZDYCACCPSHH-LPHOPBHVSA-N 2 0 329.488 2.498 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092374691 277081473 /nfs/dbraw/zinc/08/14/73/277081473.db2.gz RUVUIXCTZNVXQA-HNNXBMFYSA-N 2 0 336.911 2.276 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245968250 278241209 /nfs/dbraw/zinc/24/12/09/278241209.db2.gz ZIBZRUOGZMRLHM-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP C[NH+](C)CC1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCCC1 ZINC000185162782 282067219 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EEAERP C[C@@H]1COCCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354172771 312392420 /nfs/dbraw/zinc/39/24/20/312392420.db2.gz QVXVZWPQKIRNIZ-LBFURVHYSA-N 2 0 343.515 2.492 10 0 EEAERP [NH3+]CC[C@@H](NC(=O)Nc1nc(CN2CCCCC2)cs1)C(F)F ZINC000414732146 313071811 /nfs/dbraw/zinc/07/18/11/313071811.db2.gz GDMBVNOCWHFWPZ-LLVKDONJSA-N 2 0 347.435 2.233 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414733633 313071950 /nfs/dbraw/zinc/07/19/50/313071950.db2.gz CTTAXTCZCKPSAE-ZIAGYGMSSA-N 2 0 337.430 2.483 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416807154 313321009 /nfs/dbraw/zinc/32/10/09/313321009.db2.gz GSBUGPFPXHELOJ-IXDOHACOSA-N 2 0 346.475 2.200 10 0 EEAERP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000416897450 313353427 /nfs/dbraw/zinc/35/34/27/313353427.db2.gz XUCVJUCQYSERDS-SFHVURJKSA-N 2 0 326.444 2.247 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000416978934 313380577 /nfs/dbraw/zinc/38/05/77/313380577.db2.gz GOUMUXCXUZEJAR-CRAIPNDOSA-N 2 0 332.492 2.326 10 0 EEAERP CC[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417014826 313395395 /nfs/dbraw/zinc/39/53/95/313395395.db2.gz LMIVITIZJLGISM-IPELMVKDSA-N 2 0 344.503 2.121 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418607036 313858765 /nfs/dbraw/zinc/85/87/65/313858765.db2.gz ZYAFDSWMKSVCCL-LPHOPBHVSA-N 2 0 344.503 2.290 10 0 EEAERP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000437526046 315039045 /nfs/dbraw/zinc/03/90/45/315039045.db2.gz OGSACVHWHWXEMX-IRXDYDNUSA-N 2 0 337.533 2.089 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000441304881 315180288 /nfs/dbraw/zinc/18/02/88/315180288.db2.gz SPKZKPIKNIUXMS-WBVHZDCISA-N 2 0 336.524 2.375 10 0 EEAERP Cc1cn2cc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)ccc2n1 ZINC000525748197 317072986 /nfs/dbraw/zinc/07/29/86/317072986.db2.gz ZLJZHJQFRULIHD-INIZCTEOSA-N 2 0 345.447 2.217 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527777403 317261339 /nfs/dbraw/zinc/26/13/39/317261339.db2.gz NHSUYELZLBFPTC-MRXNPFEDSA-N 2 0 333.480 2.355 10 0 EEAERP CN(CCC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cc[nH+]cc1 ZINC000542784225 318139766 /nfs/dbraw/zinc/13/97/66/318139766.db2.gz WHERJXAJJMSJRW-UHFFFAOYSA-N 2 0 330.476 2.431 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000562812094 318934070 /nfs/dbraw/zinc/93/40/70/318934070.db2.gz BCGYHCFYHOPDBM-UHFFFAOYSA-N 2 0 344.459 2.233 10 0 EEAERP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)NC1CC([NH+]2CCCCC2)C1 ZINC000576845512 320209928 /nfs/dbraw/zinc/20/99/28/320209928.db2.gz VRBVPKODKQBJET-UHFFFAOYSA-N 2 0 344.459 2.307 10 0 EEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000582121212 324384350 /nfs/dbraw/zinc/38/43/50/324384350.db2.gz YRFPYYJVROQJAI-KSSFIOAISA-N 2 0 333.476 2.116 10 0 EEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000582121210 324384980 /nfs/dbraw/zinc/38/49/80/324384980.db2.gz YRFPYYJVROQJAI-KBXCAEBGSA-N 2 0 333.476 2.116 10 0 EEAERP COc1cc(C)nc(CNc2[nH]c3cc(OC)c(OC)cc3[nH+]2)c1 ZINC000578951897 468282273 /nfs/dbraw/zinc/28/22/73/468282273.db2.gz JHJNNAYPTWGRJI-UHFFFAOYSA-N 2 0 328.372 2.326 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000131029892 462788029 /nfs/dbraw/zinc/78/80/29/462788029.db2.gz SGEMYQOGDYTXJS-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000132719068 462874318 /nfs/dbraw/zinc/87/43/18/462874318.db2.gz RWMWSDJXNHUVKX-HKUYNNGSSA-N 2 0 329.488 2.104 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2=Cc3ccccc3OC2)CC1 ZINC000121120917 463083262 /nfs/dbraw/zinc/08/32/62/463083262.db2.gz WRSQVFJCHANHGB-INIZCTEOSA-N 2 0 330.472 2.487 10 0 EEAERP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000121668464 463175406 /nfs/dbraw/zinc/17/54/06/463175406.db2.gz XBUYTKIDZVPBLR-HNNXBMFYSA-N 2 0 349.441 2.451 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)(N2CCCCC2)CC1 ZINC000121994170 463228329 /nfs/dbraw/zinc/22/83/29/463228329.db2.gz ZZEMIHULXYCNJP-FHWLQOOXSA-N 2 0 347.547 2.484 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000139387834 463324440 /nfs/dbraw/zinc/32/44/40/463324440.db2.gz XLFWOGDRPFCPIY-MRXNPFEDSA-N 2 0 345.491 2.044 10 0 EEAERP C[C@H]1C[C@H](N(C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123771041 463367727 /nfs/dbraw/zinc/36/77/27/463367727.db2.gz UBLXFSVKYCSXRB-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000568617831 468362780 /nfs/dbraw/zinc/36/27/80/468362780.db2.gz ARPFEUUJMQNYLD-CTNGQTDRSA-N 2 0 345.531 2.385 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000043601913 463649521 /nfs/dbraw/zinc/64/95/21/463649521.db2.gz SXEHFFJTUVJVGS-UHFFFAOYSA-N 2 0 345.491 2.044 10 0 EEAERP COc1cccc([C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[NH+](C)C)c1 ZINC000261632934 463808387 /nfs/dbraw/zinc/80/83/87/463808387.db2.gz HORAMVUNBQQMIC-SJORKVTESA-N 2 0 333.476 2.192 10 0 EEAERP C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261946457 463907161 /nfs/dbraw/zinc/90/71/61/463907161.db2.gz FJTMSYDYSQVOOL-UYAOXDASSA-N 2 0 331.504 2.209 10 0 EEAERP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261961641 463910764 /nfs/dbraw/zinc/91/07/64/463910764.db2.gz PRMGFPACXHQTHI-GUDVDZBRSA-N 2 0 326.444 2.119 10 0 EEAERP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000262011544 463924353 /nfs/dbraw/zinc/92/43/53/463924353.db2.gz VOISNGCDVIYDNX-ZWQIFLOQSA-N 2 0 334.460 2.209 10 0 EEAERP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262200220 463971693 /nfs/dbraw/zinc/97/16/93/463971693.db2.gz KLIUFADUMACDMS-FRQCXROJSA-N 2 0 345.487 2.336 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000237185000 464279903 /nfs/dbraw/zinc/27/99/03/464279903.db2.gz XYQKWYBMZROBDB-UHFFFAOYSA-N 2 0 333.476 2.409 10 0 EEAERP [NH3+]Cc1ccc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1 ZINC000238006540 464417731 /nfs/dbraw/zinc/41/77/31/464417731.db2.gz WIYOECJWIYQLQZ-UHFFFAOYSA-N 2 0 325.412 2.230 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000245987120 464531914 /nfs/dbraw/zinc/53/19/14/464531914.db2.gz QENZRUXGODYYNC-RCCFBDPRSA-N 2 0 336.524 2.233 10 0 EEAERP Cn1cc([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272419459 464602914 /nfs/dbraw/zinc/60/29/14/464602914.db2.gz NDXDZGZXPBCRJZ-YSTOQKLRSA-N 2 0 340.471 2.239 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000246757508 464618734 /nfs/dbraw/zinc/61/87/34/464618734.db2.gz XWLLSKHRMPRZHR-KURKYZTESA-N 2 0 338.540 2.382 10 0 EEAERP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000294830993 464618763 /nfs/dbraw/zinc/61/87/63/464618763.db2.gz AAGBKCMNFJSOTB-UHFFFAOYSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000568966333 468413860 /nfs/dbraw/zinc/41/38/60/468413860.db2.gz GXYFWRHMZZMVHV-YVWKXTFCSA-N 2 0 344.503 2.481 10 0 EEAERP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000282363987 464789869 /nfs/dbraw/zinc/78/98/69/464789869.db2.gz HUMYPJYEDUDPSX-GOSISDBHSA-N 2 0 345.487 2.130 10 0 EEAERP CC(=O)Nc1cccc(NC(=O)CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000266751194 464808311 /nfs/dbraw/zinc/80/83/11/464808311.db2.gz NYZVBMUMYRXFJW-UHFFFAOYSA-N 2 0 341.415 2.186 10 0 EEAERP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248915306 464821259 /nfs/dbraw/zinc/82/12/59/464821259.db2.gz ZLYMCLYESPVATE-GOEBONIOSA-N 2 0 328.497 2.131 10 0 EEAERP C[NH+](C)C1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000351860116 465403736 /nfs/dbraw/zinc/40/37/36/465403736.db2.gz YKEXMRYHAIWOSJ-UHFFFAOYSA-N 2 0 330.520 2.225 10 0 EEAERP Cc1nc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(N(C)C)n1 ZINC000343759296 465550459 /nfs/dbraw/zinc/55/04/59/465550459.db2.gz HPRSRMWTRVPBSG-XJKSGUPXSA-N 2 0 328.464 2.658 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339861672 465556849 /nfs/dbraw/zinc/55/68/49/465556849.db2.gz NWUCVLUJYSTPRT-CEXWTWQISA-N 2 0 344.503 2.085 10 0 EEAERP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226120 465656118 /nfs/dbraw/zinc/65/61/18/465656118.db2.gz AOTDPARFHXFWCF-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353337260 465809691 /nfs/dbraw/zinc/80/96/91/465809691.db2.gz LWVBNHGKKOMXEP-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000338478308 466158657 /nfs/dbraw/zinc/15/86/57/466158657.db2.gz VKAUURWVDWZZTP-KRWDZBQOSA-N 2 0 333.476 2.164 10 0 EEAERP CC(C)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC(C)C ZINC000302812569 466190770 /nfs/dbraw/zinc/19/07/70/466190770.db2.gz PKXJENOVMXPGCF-SFHVURJKSA-N 2 0 341.540 2.073 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000302924106 466214956 /nfs/dbraw/zinc/21/49/56/466214956.db2.gz BHXOVCVXKCMKBQ-YESZJQIVSA-N 2 0 326.529 2.384 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000591568317 468484991 /nfs/dbraw/zinc/48/49/91/468484991.db2.gz LLOHNGWFLYJGLQ-HOTGVXAUSA-N 2 0 340.508 2.493 10 0 EEAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310080961 466507810 /nfs/dbraw/zinc/50/78/10/466507810.db2.gz JGULWJZURHXLTR-MSOLQXFVSA-N 2 0 329.488 2.403 10 0 EEAERP Cc1ccc([C@H](CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422828612 466683464 /nfs/dbraw/zinc/68/34/64/466683464.db2.gz ONUVRRYLZCTZTD-PCCBWWKXSA-N 2 0 343.515 2.489 10 0 EEAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423202447 466695988 /nfs/dbraw/zinc/69/59/88/466695988.db2.gz KTCBKSRGCYJLNM-CQSZACIVSA-N 2 0 342.256 2.070 10 0 EEAERP COC[C@]1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000423430235 466747475 /nfs/dbraw/zinc/74/74/75/466747475.db2.gz PRBRHWVBELFYNP-DFQSSKMNSA-N 2 0 331.504 2.255 10 0 EEAERP C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250299 472042632 /nfs/dbraw/zinc/04/26/32/472042632.db2.gz DUJYKGYENWUQQO-AWEZNQCLSA-N 2 0 325.250 2.402 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000417228238 466809384 /nfs/dbraw/zinc/80/93/84/466809384.db2.gz FALANDHORIKCCU-SFHVURJKSA-N 2 0 326.444 2.118 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000365722534 466918493 /nfs/dbraw/zinc/91/84/93/466918493.db2.gz IRYBENNALSYGGJ-SJLPKXTDSA-N 2 0 344.503 2.405 10 0 EEAERP COc1ccc(CN2CC[C@H]([NH2+]Cc3cncn3C(C)C)C2=O)cc1 ZINC000424137082 466986698 /nfs/dbraw/zinc/98/66/98/466986698.db2.gz BPPZXXNKKPHOCY-SFHVURJKSA-N 2 0 342.443 2.363 10 0 EEAERP CC(C)n1cncc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000424147828 466990627 /nfs/dbraw/zinc/99/06/27/466990627.db2.gz SKDRGVSURUPORZ-UHFFFAOYSA-N 2 0 349.523 2.180 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418140046 467057382 /nfs/dbraw/zinc/05/73/82/467057382.db2.gz KOFHYSXQTWYPJI-AYOQOUSVSA-N 2 0 344.503 2.194 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418564126 467129427 /nfs/dbraw/zinc/12/94/27/467129427.db2.gz WNNMWYYCQVUOET-ZIFCJYIRSA-N 2 0 344.503 2.290 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450902992 467202449 /nfs/dbraw/zinc/20/24/49/467202449.db2.gz YPYRPKYOBHRINC-APWZRJJASA-N 2 0 341.455 2.377 10 0 EEAERP CCN1CC[C@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000389195199 467399252 /nfs/dbraw/zinc/39/92/52/467399252.db2.gz WXPHYTUNUKNZLV-SFHVURJKSA-N 2 0 331.460 2.471 10 0 EEAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397559025 467442431 /nfs/dbraw/zinc/44/24/31/467442431.db2.gz PPYLICYWMGYPGL-RBUKOAKNSA-N 3 0 331.504 2.121 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000449098994 467617654 /nfs/dbraw/zinc/61/76/54/467617654.db2.gz LVCXIOJOJUJWHQ-DLBZAZTESA-N 2 0 327.476 2.352 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CCO[C@@H]2C)CC1 ZINC000449293404 467628608 /nfs/dbraw/zinc/62/86/08/467628608.db2.gz VGHJBXYGQQBJGW-MBOZVWFJSA-N 2 0 332.488 2.212 10 0 EEAERP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)NC1CC[NH+](CC2CC2)CC1 ZINC000528712638 467734846 /nfs/dbraw/zinc/73/48/46/467734846.db2.gz CRYXIYDRKROICS-UHFFFAOYSA-N 2 0 344.459 2.165 10 0 EEAERP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000450395845 467841689 /nfs/dbraw/zinc/84/16/89/467841689.db2.gz UIJFXDIRQMHQNC-NRSPTQNISA-N 2 0 345.531 2.253 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000529673873 467894157 /nfs/dbraw/zinc/89/41/57/467894157.db2.gz FPOYOGFCZRYVOG-DGGJZMOXSA-N 2 0 330.457 2.061 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000515220925 467981038 /nfs/dbraw/zinc/98/10/38/467981038.db2.gz IQFNHYKUMUXXKI-APWZRJJASA-N 2 0 344.503 2.470 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000530727436 468004774 /nfs/dbraw/zinc/00/47/74/468004774.db2.gz JINLJHRKGMAPRF-IBGZPJMESA-N 2 0 342.487 2.159 10 0 EEAERP CC(C)[NH+](Cc1cncc(C[N@@H+](C[C@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000517010754 468063861 /nfs/dbraw/zinc/06/38/61/468063861.db2.gz CNYJVLZTKIDFAA-IRXDYDNUSA-N 2 0 337.508 2.264 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)cn2)CC1 ZINC000582527145 468552117 /nfs/dbraw/zinc/55/21/17/468552117.db2.gz BHIGQBGLIAHKHR-ALXJQNPVSA-N 2 0 332.492 2.269 10 0 EEAERP C[N@H+](CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CCCC1 ZINC000583013112 468629258 /nfs/dbraw/zinc/62/92/58/468629258.db2.gz TXOCZAGICAEXHC-UHFFFAOYSA-N 2 0 334.439 2.467 10 0 EEAERP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595075252 468753400 /nfs/dbraw/zinc/75/34/00/468753400.db2.gz XPZNJFFQAFKRTB-CRAIPNDOSA-N 2 0 348.487 2.463 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000571223143 468756723 /nfs/dbraw/zinc/75/67/23/468756723.db2.gz RNIFTDIAMRKQDQ-OLZOCXBDSA-N 2 0 346.397 2.447 10 0 EEAERP CC[NH+](Cc1cncc(C[N@@H+](CC)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000562539674 468984221 /nfs/dbraw/zinc/98/42/21/468984221.db2.gz RCDRGQYWFCZKCM-RTBURBONSA-N 2 0 333.476 2.303 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000593502556 469007605 /nfs/dbraw/zinc/00/76/05/469007605.db2.gz UIELEMMHENGDQY-INIZCTEOSA-N 2 0 334.464 2.233 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598966691 469069639 /nfs/dbraw/zinc/06/96/39/469069639.db2.gz YLGASZZUGXWFKW-UHFFFAOYSA-N 2 0 340.489 2.250 10 0 EEAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000615652814 469292769 /nfs/dbraw/zinc/29/27/69/469292769.db2.gz YHSZLGCEVRVRFK-QRQLOZEOSA-N 2 0 346.471 2.401 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622543726 469444858 /nfs/dbraw/zinc/44/48/58/469444858.db2.gz QOFIRUZNGDALAQ-UHFFFAOYSA-N 2 0 326.444 2.500 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000629530631 469573008 /nfs/dbraw/zinc/57/30/08/469573008.db2.gz MCPRYQGDHPJOOG-NSHDSACASA-N 2 0 333.245 2.345 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000629530337 469573155 /nfs/dbraw/zinc/57/31/55/469573155.db2.gz CWEJVKUJBWICOF-IRXDYDNUSA-N 2 0 326.868 2.256 10 0 EEAERP CC[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)[N@@H+]1CCc2ccccc2C1 ZINC000626935043 469760632 /nfs/dbraw/zinc/76/06/32/469760632.db2.gz VRIUTZBDFDWVBL-CEXWTWQISA-N 2 0 344.503 2.263 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000627073755 469807406 /nfs/dbraw/zinc/80/74/06/469807406.db2.gz CEYPEFXADYGTKY-SMDDNHRTSA-N 2 0 345.274 2.257 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[NH+](C)C ZINC000623975782 469810058 /nfs/dbraw/zinc/81/00/58/469810058.db2.gz PQLIMNKHDYBCRS-AYOQOUSVSA-N 2 0 329.488 2.211 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000627167490 469831689 /nfs/dbraw/zinc/83/16/89/469831689.db2.gz HJYZESZARYZRNE-OKZBNKHCSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C[NH2+]1 ZINC000627208521 469844905 /nfs/dbraw/zinc/84/49/05/469844905.db2.gz YBCGXDWEBPXYOD-LMMKCTJWSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000608615463 469845886 /nfs/dbraw/zinc/84/58/86/469845886.db2.gz XYQJKRZSYTXSKG-ZBFHGGJFSA-N 2 0 338.521 2.382 10 0 EEAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccccc2n2cncc12 ZINC000624142376 469854971 /nfs/dbraw/zinc/85/49/71/469854971.db2.gz VKQNMRWOCBHEQK-AWEZNQCLSA-N 2 0 339.443 2.164 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000624319731 469904146 /nfs/dbraw/zinc/90/41/46/469904146.db2.gz XSMDCKNRVBAGEJ-ZRNYENFQSA-N 2 0 332.488 2.417 10 0 EEAERP COc1cncc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1C ZINC000631079408 470063843 /nfs/dbraw/zinc/06/38/43/470063843.db2.gz LJYYLZKTRBDCGE-UHFFFAOYSA-N 2 0 346.519 2.439 10 0 EEAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631841966 470187040 /nfs/dbraw/zinc/18/70/40/470187040.db2.gz SJJXGXGOVKJMFD-VXGBXAGGSA-N 2 0 340.265 2.304 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634711469 470284286 /nfs/dbraw/zinc/28/42/86/470284286.db2.gz PJJDTWCXJKMMJC-QAKNJHSXSA-N 2 0 346.515 2.399 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712311 470284705 /nfs/dbraw/zinc/28/47/05/470284705.db2.gz CIBUBEWLCCREFX-SXLOBPIMSA-N 2 0 332.488 2.010 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000641865304 470503201 /nfs/dbraw/zinc/50/32/01/470503201.db2.gz SVDZXDJEPQNGRW-ARJAWSKDSA-N 2 0 338.455 2.182 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641864391 470503261 /nfs/dbraw/zinc/50/32/61/470503261.db2.gz DBKYNSXATNTONH-WAYWQWQTSA-N 2 0 330.476 2.055 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000649348928 470554842 /nfs/dbraw/zinc/55/48/42/470554842.db2.gz GWPVJHVMXYWVGX-UHFFFAOYSA-N 2 0 328.416 2.133 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1)c1ccccc1 ZINC000649907610 470740179 /nfs/dbraw/zinc/74/01/79/470740179.db2.gz WCGVBZLBOICNQI-WBVHZDCISA-N 2 0 337.414 2.137 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647282888 470874910 /nfs/dbraw/zinc/87/49/10/470874910.db2.gz ZVBUHKYETUIPMP-QGZVFWFLSA-N 2 0 333.524 2.288 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCO3)C1 ZINC000650722219 470950813 /nfs/dbraw/zinc/95/08/13/470950813.db2.gz NHENBJOPLXJHBD-NUJGCVRESA-N 2 0 332.444 2.319 10 0 EEAERP CN1CCO[C@@H]([C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000650745177 470957414 /nfs/dbraw/zinc/95/74/14/470957414.db2.gz BCLZHPLQRUYHIQ-SJORKVTESA-N 2 0 337.895 2.430 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804102 470987984 /nfs/dbraw/zinc/98/79/84/470987984.db2.gz IUMMKFKUYRJFHK-QEJZJMRPSA-N 2 0 343.393 2.080 10 0 EEAERP O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899305 471010463 /nfs/dbraw/zinc/01/04/63/471010463.db2.gz GAXXEKPAUIUSJF-WMZOPIPTSA-N 2 0 349.906 2.463 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(Cc3cnc4ccc(Br)cn34)[C@@H]2C1 ZINC000644840524 471062025 /nfs/dbraw/zinc/06/20/25/471062025.db2.gz LAAPVKVMAHIELU-BXUZGUMPSA-N 2 0 335.249 2.233 10 0 EEAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000654657919 471118063 /nfs/dbraw/zinc/11/80/63/471118063.db2.gz VPZDZMFPMFUXBT-WOVMCDHWSA-N 2 0 348.491 2.226 10 0 EEAERP CC1CCC([NH+]2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000654660580 471119005 /nfs/dbraw/zinc/11/90/05/471119005.db2.gz ZSVQLJQGJRUEAK-KUPNBSADSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000640941589 471130117 /nfs/dbraw/zinc/13/01/17/471130117.db2.gz RVGOBLUMWKAMJL-MJGOQNOKSA-N 2 0 344.503 2.210 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccn34)cc2)C1 ZINC000657596453 471179881 /nfs/dbraw/zinc/17/98/81/471179881.db2.gz WVPOPGRGKVMAOT-LJQANCHMSA-N 2 0 336.439 2.191 10 0 EEAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657873230 471243494 /nfs/dbraw/zinc/24/34/94/471243494.db2.gz LGSYPALZMLCMJB-GOSISDBHSA-N 2 0 330.472 2.445 10 0 EEAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000657918184 471248352 /nfs/dbraw/zinc/24/83/52/471248352.db2.gz BAMXOFCVNMNFTK-LNLFQRSKSA-N 2 0 342.524 2.297 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000652174445 471250409 /nfs/dbraw/zinc/25/04/09/471250409.db2.gz UNWWGWTYPOJCCR-MSOLQXFVSA-N 2 0 330.476 2.121 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000652191534 471253098 /nfs/dbraw/zinc/25/30/98/471253098.db2.gz XLNWYODCYFEXKU-WBVHZDCISA-N 2 0 332.492 2.414 10 0 EEAERP [NH3+]CC1(CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000652244005 471261223 /nfs/dbraw/zinc/26/12/23/471261223.db2.gz QPSGVFQPCJIUMR-UHFFFAOYSA-N 2 0 336.524 2.413 10 0 EEAERP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138787 471270209 /nfs/dbraw/zinc/27/02/09/471270209.db2.gz OBOPUGXHKZLSKV-WOJBJXKFSA-N 2 0 342.487 2.264 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000666282780 471338585 /nfs/dbraw/zinc/33/85/85/471338585.db2.gz KVJMYPCNALWRDL-HNNXBMFYSA-N 2 0 348.495 2.064 10 0 EEAERP CCc1ccc([C@H]2C[NH2+]CCN2Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000663495044 471400618 /nfs/dbraw/zinc/40/06/18/471400618.db2.gz ULNYJVLNHLBNLW-QGZVFWFLSA-N 2 0 342.512 2.498 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000663505525 471404096 /nfs/dbraw/zinc/40/40/96/471404096.db2.gz JWCCAGPOIHIPMN-UHFFFAOYSA-N 2 0 333.476 2.084 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655697012 471445664 /nfs/dbraw/zinc/44/56/64/471445664.db2.gz MHJBKXPLINGCDY-NHCUHLMSSA-N 2 0 345.531 2.392 10 0 EEAERP OC1(C[NH2+][C@H]2CCCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000655776131 471478367 /nfs/dbraw/zinc/47/83/67/471478367.db2.gz IGXUWGJHVIWNED-SFHVURJKSA-N 2 0 340.471 2.335 10 0 EEAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659047783 471487973 /nfs/dbraw/zinc/48/79/73/471487973.db2.gz VGUFKPCJOMNODV-WMLDXEAASA-N 2 0 334.464 2.198 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483592 471514756 /nfs/dbraw/zinc/51/47/56/471514756.db2.gz CAKPVKOUPIIWCR-SZMVWBNQSA-N 2 0 330.476 2.345 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655910732 471532780 /nfs/dbraw/zinc/53/27/80/471532780.db2.gz BFGQWQDSJKGQAO-CQSZACIVSA-N 2 0 346.397 2.216 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655921524 471540658 /nfs/dbraw/zinc/54/06/58/471540658.db2.gz OLVUPSACPOSFNZ-CYBMUJFWSA-N 2 0 346.397 2.086 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661037348 471599245 /nfs/dbraw/zinc/59/92/45/471599245.db2.gz JICQGKIXVXDXQS-IBGZPJMESA-N 2 0 346.519 2.346 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]C1 ZINC000659381919 471599660 /nfs/dbraw/zinc/59/96/60/471599660.db2.gz NHVAORIPFNIXMO-OALUTQOASA-N 2 0 341.499 2.405 10 0 EEAERP CCN(C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664069222 471627624 /nfs/dbraw/zinc/62/76/24/471627624.db2.gz AYZYZBJDUMTLLQ-FUHWJXTLSA-N 2 0 332.492 2.243 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000659465313 471641517 /nfs/dbraw/zinc/64/15/17/471641517.db2.gz VHTYUHOQFKFSRJ-KFWWJZLASA-N 2 0 342.846 2.023 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CCCCCC1 ZINC000659505449 471660677 /nfs/dbraw/zinc/66/06/77/471660677.db2.gz NOYZMXZJQLYFGL-KRWDZBQOSA-N 2 0 336.524 2.459 10 0 EEAERP CCN(C(=O)N[C@H](C)C[NH2+]C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000659639467 471706818 /nfs/dbraw/zinc/70/68/18/471706818.db2.gz ZQNAIRFGGIDYBC-RYRKJORJSA-N 2 0 332.492 2.461 10 0 EEAERP C[N@H+](CCO[C@@H]1CC1(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000659990811 471817526 /nfs/dbraw/zinc/81/75/26/471817526.db2.gz HQBKDLPWGCLTJI-QGZVFWFLSA-N 2 0 339.430 2.445 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1onc2c1CCCC2 ZINC000667812314 471916252 /nfs/dbraw/zinc/91/62/52/471916252.db2.gz JIVGVRJSLNWTSL-OAHLLOKOSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)o1 ZINC000654418040 471951970 /nfs/dbraw/zinc/95/19/70/471951970.db2.gz GSLRSEOGNBZBHZ-BBWFWOEESA-N 2 0 348.491 2.364 10 0 EEAERP Cc1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)ncn1 ZINC000662327116 472072459 /nfs/dbraw/zinc/07/24/59/472072459.db2.gz JSRGRBBJMYLNHA-UHFFFAOYSA-N 2 0 340.475 2.355 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662351453 472081274 /nfs/dbraw/zinc/08/12/74/472081274.db2.gz KROCWVSDYNSMPF-AWEZNQCLSA-N 2 0 334.464 2.136 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)on1 ZINC000662697670 472213097 /nfs/dbraw/zinc/21/30/97/472213097.db2.gz ABOPPFNVDVPFPG-UHFFFAOYSA-N 2 0 334.464 2.253 10 0 EEAERP C[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662796592 472255670 /nfs/dbraw/zinc/25/56/70/472255670.db2.gz AMJMJQRBCMXNNW-LRDDRELGSA-N 2 0 339.842 2.470 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCc2nc[nH]c2C1 ZINC000665989242 472264721 /nfs/dbraw/zinc/26/47/21/472264721.db2.gz HDDHYBTUCILGSH-VQIMIIECSA-N 2 0 338.455 2.468 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000668813903 472278879 /nfs/dbraw/zinc/27/88/79/472278879.db2.gz CSCOFAFQIAZZAG-GOSISDBHSA-N 2 0 330.476 2.224 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169120 472333780 /nfs/dbraw/zinc/33/37/80/472333780.db2.gz RSOVBGSKDOQKBF-GDBMZVCRSA-N 2 0 338.455 2.078 10 0 EEAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673863696 485560122 /nfs/dbraw/zinc/56/01/22/485560122.db2.gz TYFCHIMZYWEHPV-CQSZACIVSA-N 2 0 328.420 2.262 10 0 EEAERP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000658141647 485570283 /nfs/dbraw/zinc/57/02/83/485570283.db2.gz STGCPJXOYHJPOK-HNAYVOBHSA-N 2 0 328.460 2.320 10 0 EEAERP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000658141643 485570634 /nfs/dbraw/zinc/57/06/34/485570634.db2.gz STGCPJXOYHJPOK-BEFAXECRSA-N 2 0 328.460 2.320 10 0 EEAERP Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000674319644 485694661 /nfs/dbraw/zinc/69/46/61/485694661.db2.gz ZXHBSDCOXFKANU-UHFFFAOYSA-N 2 0 348.495 2.016 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000434359614 485714774 /nfs/dbraw/zinc/71/47/74/485714774.db2.gz XDUBBYPPRMZMAN-SZMVWBNQSA-N 2 0 336.524 2.375 10 0 EEAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422795994 535611746 /nfs/dbraw/zinc/61/17/46/535611746.db2.gz XGKYFUNBEUJBKN-UXHICEINSA-N 2 0 331.504 2.385 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000265165759 535989900 /nfs/dbraw/zinc/98/99/00/535989900.db2.gz HJSXYJFTSZWIOC-MSOLQXFVSA-N 2 0 348.466 2.313 10 0 EEAERP COc1ccc([C@@H](NCC2([NH+](C)C)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422727358 536889968 /nfs/dbraw/zinc/88/99/68/536889968.db2.gz HHBJVCADLKFURD-RTBURBONSA-N 2 0 347.503 2.189 10 0 EEAERP C[C@H](CCO)[N@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895149587 684124322 /nfs/dbraw/zinc/12/43/22/684124322.db2.gz LTQMMSHCBYIQJC-LLVKDONJSA-N 2 0 330.375 2.272 10 0 EEAERP CC[NH+](CC)Cc1cccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000895670558 684681573 /nfs/dbraw/zinc/68/15/73/684681573.db2.gz MKPSZLAJBIPBFI-SFHVURJKSA-N 2 0 331.460 2.188 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000895755323 684712432 /nfs/dbraw/zinc/71/24/32/684712432.db2.gz HHUMXBAIJOHPHN-RDGPPVDQSA-N 2 0 327.472 2.422 10 0 EEAERP CC[N@H+]1[C@H](C)CN(C(=O)c2cc(-n3ccnc3)ccc2O)C[C@@H]1C ZINC000898383781 693299363 /nfs/dbraw/zinc/29/93/63/693299363.db2.gz FEMAEWDTMJGITC-OKILXGFUSA-N 2 0 328.416 2.133 10 0 EEAERP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000898599524 693391042 /nfs/dbraw/zinc/39/10/42/693391042.db2.gz PBCQFDFPJFLCMZ-GOSISDBHSA-N 2 0 331.460 2.041 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485541120 1191828743 /nfs/dbraw/zinc/82/87/43/1191828743.db2.gz XRUBWDWNPQAGEO-DNVCBOLYSA-N 2 0 329.488 2.451 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCc2ccccc2)C2CC2)C1 ZINC001670557708 1176905418 /nfs/dbraw/zinc/90/54/18/1176905418.db2.gz WRCGXIQEVHIHGY-MOPGFXCFSA-N 2 0 329.488 2.055 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001266725639 1177310515 /nfs/dbraw/zinc/31/05/15/1177310515.db2.gz OBEZEMWQRHXRNI-GASCZTMLSA-N 2 0 348.491 2.022 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001266725489 1177310532 /nfs/dbraw/zinc/31/05/32/1177310532.db2.gz JISIJEXFLFCBHA-GASCZTMLSA-N 2 0 338.883 2.204 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]C/C=C\c3ccccc3)C2)CC1 ZINC001267054812 1178160891 /nfs/dbraw/zinc/16/08/91/1178160891.db2.gz CSXSMZMHJBEZGI-QBUQCISBSA-N 2 0 341.499 2.480 10 0 EEAERP O=C(NCc1ccc(CC[NH2+]CCCF)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001267096406 1178229988 /nfs/dbraw/zinc/22/99/88/1178229988.db2.gz OLJUKMAGOXUOII-LJQANCHMSA-N 2 0 347.478 2.136 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1C ZINC001267109357 1178263831 /nfs/dbraw/zinc/26/38/31/1178263831.db2.gz GTHXTWOBUNDAIT-HOTGVXAUSA-N 2 0 347.503 2.424 10 0 EEAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1)[NH+](C)C ZINC001267178905 1178431910 /nfs/dbraw/zinc/43/19/10/1178431910.db2.gz GRWZDRDLPVJKDC-JKSUJKDBSA-N 2 0 336.480 2.184 10 0 EEAERP O=[N+]([O-])c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1Cl ZINC000185275046 1192909184 /nfs/dbraw/zinc/90/91/84/1192909184.db2.gz ACFBSFFNKXOFFC-UHFFFAOYSA-N 2 0 327.812 2.450 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001691448196 1178834551 /nfs/dbraw/zinc/83/45/51/1178834551.db2.gz QMDRVPCOQYWHOS-YPZZQQJBSA-N 2 0 329.488 2.478 10 0 EEAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C(F)F)cc1 ZINC001480936287 1178915593 /nfs/dbraw/zinc/91/55/93/1178915593.db2.gz DGBKIJPSZXTAIY-UHFFFAOYSA-N 2 0 337.414 2.268 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001267458810 1179044848 /nfs/dbraw/zinc/04/48/48/1179044848.db2.gz JKUZWBYYXWTBKG-MRXNPFEDSA-N 2 0 327.419 2.099 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481091777 1179718917 /nfs/dbraw/zinc/71/89/17/1179718917.db2.gz AROPBDMGICOLIB-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001481127596 1179842276 /nfs/dbraw/zinc/84/22/76/1179842276.db2.gz YOOBKKXECXAHHE-QGZVFWFLSA-N 2 0 349.523 2.051 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001267744893 1180375918 /nfs/dbraw/zinc/37/59/18/1180375918.db2.gz ABZSMFNKXFXSII-ZIAGYGMSSA-N 2 0 335.414 2.394 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(F)c1Cl)[NH+](C)C ZINC001481245789 1180435909 /nfs/dbraw/zinc/43/59/09/1180435909.db2.gz MKBRBRBDOHUKOK-CQSZACIVSA-N 2 0 329.847 2.367 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302958 1180965545 /nfs/dbraw/zinc/96/55/45/1180965545.db2.gz UPPKSPCJKWVYTA-MJGOQNOKSA-N 2 0 343.515 2.496 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481442982 1181357361 /nfs/dbraw/zinc/35/73/61/1181357361.db2.gz NTSRYSGXTZYOOQ-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481502269 1181579408 /nfs/dbraw/zinc/57/94/08/1181579408.db2.gz KCRKPMRBYRRQDM-IAGOWNOFSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001481518187 1181628875 /nfs/dbraw/zinc/62/88/75/1181628875.db2.gz KCMXBEUMHXLAHB-NVXWUHKLSA-N 2 0 327.488 2.247 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001268159604 1181871924 /nfs/dbraw/zinc/87/19/24/1181871924.db2.gz ONCLQGVRSORDJY-JKSUJKDBSA-N 2 0 343.462 2.487 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001268163879 1181882089 /nfs/dbraw/zinc/88/20/89/1181882089.db2.gz CQEVNOBLELLHEG-INIZCTEOSA-N 2 0 343.462 2.488 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001268169194 1181926427 /nfs/dbraw/zinc/92/64/27/1181926427.db2.gz ACHMRUFKTZLFTL-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)(C(=O)NCC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)[NH+]1CCCC1 ZINC001481638456 1182015136 /nfs/dbraw/zinc/01/51/36/1182015136.db2.gz MGXTVTRVVZJIBG-NXHRZFHOSA-N 2 0 333.520 2.345 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001481655358 1182138955 /nfs/dbraw/zinc/13/89/55/1182138955.db2.gz XSHNLKPMPZMSKS-QGZVFWFLSA-N 2 0 347.478 2.148 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001268367080 1182348841 /nfs/dbraw/zinc/34/88/41/1182348841.db2.gz RWXNKBCNHJQJSS-FXAWDEMLSA-N 2 0 343.515 2.364 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCOC(C)C)C2)C1 ZINC001481739438 1182458883 /nfs/dbraw/zinc/45/88/83/1182458883.db2.gz XYEIFBJYURMEIE-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268399928 1182489926 /nfs/dbraw/zinc/48/99/26/1182489926.db2.gz NYWZLLLZQMJWTP-IRXDYDNUSA-N 2 0 346.519 2.079 10 0 EEAERP CCN(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCOC)C1)c1ccccc1 ZINC001481746151 1182504158 /nfs/dbraw/zinc/50/41/58/1182504158.db2.gz AIYIXHBXJSGCLT-RTBURBONSA-N 2 0 347.503 2.249 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)C1([NH+](C)C)CCC1 ZINC001268454663 1182687300 /nfs/dbraw/zinc/68/73/00/1182687300.db2.gz VRTBHHSTPBQEBJ-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nc(C)sc1C ZINC001481850335 1182800909 /nfs/dbraw/zinc/80/09/09/1182800909.db2.gz LADXSWQXLOORCV-WFASDCNBSA-N 2 0 338.521 2.086 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCC2)C1 ZINC001481910024 1182931564 /nfs/dbraw/zinc/93/15/64/1182931564.db2.gz GMPHMCBVXANQIQ-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@@H]2C)o1 ZINC001481964763 1183056380 /nfs/dbraw/zinc/05/63/80/1183056380.db2.gz SQFGITOJUOGUTC-KXBFYZLASA-N 2 0 348.491 2.234 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)CC[N@@H+]1C ZINC001481977243 1183065631 /nfs/dbraw/zinc/06/56/31/1183065631.db2.gz NDBWRCYEEYDCTL-ZHALLVOQSA-N 2 0 344.503 2.140 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001482002415 1183118673 /nfs/dbraw/zinc/11/86/73/1183118673.db2.gz IYMCLHMEJWUYCC-INIZCTEOSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(N1CCC(CC[NH2+]CC2CCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001482007105 1183128723 /nfs/dbraw/zinc/12/87/23/1183128723.db2.gz PHGJWDCKXKJRRD-FQEVSTJZSA-N 2 0 333.520 2.491 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCOC1CCCCCC1 ZINC001268523503 1183176863 /nfs/dbraw/zinc/17/68/63/1183176863.db2.gz RAQDYRVJLHXUHP-DKFQHHCZSA-N 2 0 337.508 2.082 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001268550499 1183234147 /nfs/dbraw/zinc/23/41/47/1183234147.db2.gz QCMOEBPTPHBOPI-WAYWQWQTSA-N 2 0 336.505 2.006 10 0 EEAERP Cc1ncccc1C[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001482051607 1183246519 /nfs/dbraw/zinc/24/65/19/1183246519.db2.gz IQGHYVOIMFVELD-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCCC(F)(F)F ZINC001268579108 1183347914 /nfs/dbraw/zinc/34/79/14/1183347914.db2.gz OEVLPLMOCSXJGF-GJBLVYBDSA-N 2 0 335.414 2.465 10 0 EEAERP CCc1ccc(CC[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001268614391 1183529841 /nfs/dbraw/zinc/52/98/41/1183529841.db2.gz VNMWRCPYNYNUNO-ONEGZZNKSA-N 2 0 341.499 2.149 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)COC2)C(=O)C1([NH+](C)C)CCC1 ZINC001268797090 1183715294 /nfs/dbraw/zinc/71/52/94/1183715294.db2.gz DNEGXBMVCOKFBK-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001268852494 1183766638 /nfs/dbraw/zinc/76/66/38/1183766638.db2.gz OYXJNYYRHVLGTB-INIZCTEOSA-N 2 0 341.883 2.324 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)CC[NH+]1CCCCC1 ZINC001268958408 1183850481 /nfs/dbraw/zinc/85/04/81/1183850481.db2.gz JTLDDUYKEKVQNE-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+]1CCCC1 ZINC001269149355 1184003674 /nfs/dbraw/zinc/00/36/74/1184003674.db2.gz PYOPOTFYYOYKRY-OXUBUWLOSA-N 2 0 327.900 2.344 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOc1ccccc1C ZINC001269408509 1184242286 /nfs/dbraw/zinc/24/22/86/1184242286.db2.gz QYQKZSUFXIHKCU-KZNAEPCWSA-N 2 0 347.503 2.198 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001269639464 1184463264 /nfs/dbraw/zinc/46/32/64/1184463264.db2.gz WDUHUZPWCFYFAX-KSSFIOAISA-N 2 0 327.488 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC001482236828 1184496714 /nfs/dbraw/zinc/49/67/14/1184496714.db2.gz OZYSWHVPSHJMNC-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2cnc(C)o2)C1 ZINC001269786413 1184623883 /nfs/dbraw/zinc/62/38/83/1184623883.db2.gz UUPFUQXUDKMOHD-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CCc1cnc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001269895665 1184701659 /nfs/dbraw/zinc/70/16/59/1184701659.db2.gz URQXVHLFSUDWLB-QGZVFWFLSA-N 2 0 348.491 2.050 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCc1ccccc1 ZINC001691763882 1184887395 /nfs/dbraw/zinc/88/73/95/1184887395.db2.gz UKISYLFJKGWWTN-IBGZPJMESA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C2CCCC2)C1 ZINC001270457598 1185108501 /nfs/dbraw/zinc/10/85/01/1185108501.db2.gz DMQBJMKQQFUMDI-UONOGXRCSA-N 2 0 335.414 2.155 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001482292259 1185127262 /nfs/dbraw/zinc/12/72/62/1185127262.db2.gz JZACZYXFIGSNND-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508264 1185361080 /nfs/dbraw/zinc/36/10/80/1185361080.db2.gz IUWNSHWMZLWKLW-MOPGFXCFSA-N 2 0 329.488 2.294 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329988 1185412475 /nfs/dbraw/zinc/41/24/75/1185412475.db2.gz GEWOTRSVMJMMAS-HJPCAMOWSA-N 2 0 329.488 2.478 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001482370215 1185535684 /nfs/dbraw/zinc/53/56/84/1185535684.db2.gz SYPXAFQZAJXFTD-GDBMZVCRSA-N 2 0 338.521 2.262 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cccnc1)C1CCCCC1 ZINC001482405075 1185627222 /nfs/dbraw/zinc/62/72/22/1185627222.db2.gz YNXUULZRXXWCTL-MOPGFXCFSA-N 2 0 344.503 2.331 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1[NH2+]CCCF ZINC001482435520 1185710037 /nfs/dbraw/zinc/71/00/37/1185710037.db2.gz RCWMAJXHCQKCJV-CRAIPNDOSA-N 2 0 339.499 2.295 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001270923087 1185743341 /nfs/dbraw/zinc/74/33/41/1185743341.db2.gz YNPCIFMPYVDVDD-PKOBYXMFSA-N 2 0 347.503 2.213 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001271495913 1186275674 /nfs/dbraw/zinc/27/56/74/1186275674.db2.gz ZQPSOOTYVNHZDJ-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001272045593 1187256845 /nfs/dbraw/zinc/25/68/45/1187256845.db2.gz WCACPOVIPWVWQE-KURKYZTESA-N 2 0 339.524 2.065 10 0 EEAERP CCCCOCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001272084824 1187541722 /nfs/dbraw/zinc/54/17/22/1187541722.db2.gz BAQZSQUWTBVBDG-RCCFBDPRSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001482692761 1187659313 /nfs/dbraw/zinc/65/93/13/1187659313.db2.gz JYQJZOGFYSBNMS-MOPGFXCFSA-N 2 0 346.519 2.415 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnc(C)s1 ZINC001482691455 1187665884 /nfs/dbraw/zinc/66/58/84/1187665884.db2.gz FMJMMQKZGFLECU-GOEBONIOSA-N 2 0 338.521 2.168 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc(C)oc1C ZINC001482696259 1187666507 /nfs/dbraw/zinc/66/65/07/1187666507.db2.gz VLMOPBRKDMCHKJ-HZPDHXFCSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001482876392 1187795855 /nfs/dbraw/zinc/79/58/55/1187795855.db2.gz JLRSFZTVFNQKAG-INIZCTEOSA-N 2 0 346.519 2.415 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001482903281 1187829070 /nfs/dbraw/zinc/82/90/70/1187829070.db2.gz YRSMCRXDPKGLJA-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954577 1187881802 /nfs/dbraw/zinc/88/18/02/1187881802.db2.gz JLEDJFUPTTVPFM-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001483078668 1188438839 /nfs/dbraw/zinc/43/88/39/1188438839.db2.gz SKKFRNOPXQMIAT-WAYWQWQTSA-N 2 0 329.488 2.489 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1sccc1Cl)C12CC[NH+](CC1)C2 ZINC001483083166 1188444404 /nfs/dbraw/zinc/44/44/04/1188444404.db2.gz DYSHWFIXBPDQKN-UPHRSURJSA-N 2 0 339.892 2.259 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001483091898 1188459654 /nfs/dbraw/zinc/45/96/54/1188459654.db2.gz BAQNPISJHKNFOJ-TWGZOZLHSA-N 2 0 345.462 2.417 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001483127207 1188593183 /nfs/dbraw/zinc/59/31/83/1188593183.db2.gz LDLOPKWFLXQOKF-CXAGYDPISA-N 2 0 339.430 2.432 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]C/C(Cl)=C/Cl)C2)CC1 ZINC001409282350 1188596528 /nfs/dbraw/zinc/59/65/28/1188596528.db2.gz XNUBZTQEYYQAHQ-GHXNOFRVSA-N 2 0 334.291 2.132 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1)[NH+](C)C ZINC001409289881 1188602481 /nfs/dbraw/zinc/60/24/81/1188602481.db2.gz FGSGKZBMXHORND-QOJXUVEWSA-N 2 0 339.430 2.289 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2sccc2Cl)C1 ZINC001409310698 1188635300 /nfs/dbraw/zinc/63/53/00/1188635300.db2.gz PFBXHUIQBPIBLX-UHFFFAOYSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001483235474 1189984444 /nfs/dbraw/zinc/98/44/44/1189984444.db2.gz RQULYANWTAMSQQ-AWEZNQCLSA-N 2 0 337.895 2.461 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001409569710 1190050046 /nfs/dbraw/zinc/05/00/46/1190050046.db2.gz LLDHSUUUXIRSJN-FHLIZLRMSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCc1ccc(Cl)cc1 ZINC001485945401 1193654628 /nfs/dbraw/zinc/65/46/28/1193654628.db2.gz WGNURVZGTLDUNQ-HNNXBMFYSA-N 2 0 349.906 2.415 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[N@H+](C)CCc1cccs1 ZINC001409617927 1190116196 /nfs/dbraw/zinc/11/61/96/1190116196.db2.gz XSXPYXXLZNEQDF-NUEKZKHPSA-N 2 0 346.500 2.264 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001483282607 1190305393 /nfs/dbraw/zinc/30/53/93/1190305393.db2.gz UJZQNJIIONWMJO-KBXCAEBGSA-N 2 0 344.459 2.270 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCC[NH+](C)C ZINC001483378338 1190420759 /nfs/dbraw/zinc/42/07/59/1190420759.db2.gz MCBKCPDNNLUQBB-HNNXBMFYSA-N 2 0 330.476 2.446 10 0 EEAERP Cc1cncn1CC(=O)N(C)CCC[NH2+]Cc1ccccc1Cl ZINC001483479253 1190497825 /nfs/dbraw/zinc/49/78/25/1190497825.db2.gz HYGUBNLCPFKGIB-UHFFFAOYSA-N 2 0 334.851 2.483 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c(C)s1 ZINC001483551098 1190534711 /nfs/dbraw/zinc/53/47/11/1190534711.db2.gz USNIXUOUKKDHBA-IRXDYDNUSA-N 2 0 335.517 2.444 10 0 EEAERP Cc1nc(CNC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C2CC2)co1 ZINC001483569941 1190558964 /nfs/dbraw/zinc/55/89/64/1190558964.db2.gz FNQFERNLOPBJAR-ZWKOTPCHSA-N 2 0 348.491 2.088 10 0 EEAERP Cc1ccncc1C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001409776805 1190567701 /nfs/dbraw/zinc/56/77/01/1190567701.db2.gz GVHUEFWMJDBLSW-UHFFFAOYSA-N 2 0 344.503 2.395 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483599775 1190579945 /nfs/dbraw/zinc/57/99/45/1190579945.db2.gz XACYMYCCKOHXSY-KXBFYZLASA-N 2 0 347.478 2.460 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)cc1F ZINC001483609309 1190588155 /nfs/dbraw/zinc/58/81/55/1190588155.db2.gz ZSYKHXPTBOMBNH-SFHVURJKSA-N 2 0 335.467 2.459 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cncc(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409837628 1190668299 /nfs/dbraw/zinc/66/82/99/1190668299.db2.gz LBVVGPICAOPAQM-ZWKOTPCHSA-N 2 0 332.492 2.106 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)c1C ZINC001483692984 1190767803 /nfs/dbraw/zinc/76/78/03/1190767803.db2.gz AHBRULGKMKAHRG-AEFFLSMTSA-N 2 0 345.487 2.036 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001272441436 1190821912 /nfs/dbraw/zinc/82/19/12/1190821912.db2.gz WDBBGXPBSQQOIO-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)sn1 ZINC001483734143 1190847690 /nfs/dbraw/zinc/84/76/90/1190847690.db2.gz QCSWEYLRDSAQCP-OAHLLOKOSA-N 2 0 336.505 2.063 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)nc2)CCC1 ZINC001280545109 1190871747 /nfs/dbraw/zinc/87/17/47/1190871747.db2.gz KALLNYMLLXXJMV-UHFFFAOYSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCCC1CCOCC1 ZINC001493547781 1190981916 /nfs/dbraw/zinc/98/19/16/1190981916.db2.gz XKEVKCAFPREJPD-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001483817776 1191045999 /nfs/dbraw/zinc/04/59/99/1191045999.db2.gz YPQQUVSFLYTOSE-YCRREMRBSA-N 2 0 327.900 2.394 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001483908361 1191120311 /nfs/dbraw/zinc/12/03/11/1191120311.db2.gz JHIYIPXYBNIEGX-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001483997356 1191145462 /nfs/dbraw/zinc/14/54/62/1191145462.db2.gz WWOQPINIUPYLEJ-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CCCC2)CC1 ZINC001484006943 1191148797 /nfs/dbraw/zinc/14/87/97/1191148797.db2.gz PTTZGEKHCMJXSM-UFNQUYMESA-N 2 0 327.900 2.345 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(Cc2cccc(Cl)n2)C1 ZINC001484059769 1191181471 /nfs/dbraw/zinc/18/14/71/1191181471.db2.gz YSSVCBKNPDCWSW-KRWDZBQOSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484125016 1191223625 /nfs/dbraw/zinc/22/36/25/1191223625.db2.gz LFIRSPBONIDLSJ-OXJNMPFZSA-N 2 0 347.478 2.414 10 0 EEAERP CC(C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484198817 1191269811 /nfs/dbraw/zinc/26/98/11/1191269811.db2.gz WPWSOOKPRLSTQU-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001484359609 1191315412 /nfs/dbraw/zinc/31/54/12/1191315412.db2.gz XDOWCNMAALUVRQ-HOCLYGCPSA-N 2 0 348.491 2.219 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001484415876 1191342205 /nfs/dbraw/zinc/34/22/05/1191342205.db2.gz SQNYEPWRTVQQRM-CALCHBBNSA-N 2 0 325.472 2.002 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512163 1191390301 /nfs/dbraw/zinc/39/03/01/1191390301.db2.gz DDLVOBURBROBEW-AEFFLSMTSA-N 2 0 333.451 2.248 10 0 EEAERP CCOCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001484560247 1191415512 /nfs/dbraw/zinc/41/55/12/1191415512.db2.gz XKNBZBCMGIEGPT-QFBILLFUSA-N 2 0 347.503 2.474 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC001484580400 1191425320 /nfs/dbraw/zinc/42/53/20/1191425320.db2.gz FXENBLPRTFXLCW-FGTMMUONSA-N 2 0 333.520 2.299 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccn2)CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001484639267 1191454389 /nfs/dbraw/zinc/45/43/89/1191454389.db2.gz PVNILBONIHYYMJ-ZWKOTPCHSA-N 2 0 342.487 2.227 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001484724141 1191485341 /nfs/dbraw/zinc/48/53/41/1191485341.db2.gz NSSXSXZCZAGKIT-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCC1([NH2+]Cc2oc(C)nc2C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819904 1191539503 /nfs/dbraw/zinc/53/95/03/1191539503.db2.gz YGOMWVYHYPRKHU-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001484992686 1191609282 /nfs/dbraw/zinc/60/92/82/1191609282.db2.gz PNFWTXRBWBPMJY-XJKSGUPXSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001485041081 1191622606 /nfs/dbraw/zinc/62/26/06/1191622606.db2.gz SWTYFBZTUVQKTP-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485205560 1191692669 /nfs/dbraw/zinc/69/26/69/1191692669.db2.gz CWNSBXDEPNJXDJ-SJORKVTESA-N 2 0 346.519 2.493 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccccn2)CC1 ZINC001485243383 1191707150 /nfs/dbraw/zinc/70/71/50/1191707150.db2.gz PNRFCKMNWBOJMI-UHFFFAOYSA-N 2 0 332.492 2.281 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc2c1CCOC2)[NH+](C)C ZINC001485319249 1191733333 /nfs/dbraw/zinc/73/33/33/1191733333.db2.gz MUYUUYXRZILPQG-HNAYVOBHSA-N 2 0 347.503 2.036 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cccnc1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470482 1191801091 /nfs/dbraw/zinc/80/10/91/1191801091.db2.gz NKJVJYMAGPTJKU-SFHVURJKSA-N 2 0 344.503 2.250 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c(C)n1 ZINC001486181327 1193718530 /nfs/dbraw/zinc/71/85/30/1193718530.db2.gz SLXWGTIGYUZZJZ-FUHWJXTLSA-N 2 0 332.492 2.119 10 0 EEAERP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)c(C)n1 ZINC001486181328 1193718600 /nfs/dbraw/zinc/71/86/00/1193718600.db2.gz SLXWGTIGYUZZJZ-SJLPKXTDSA-N 2 0 332.492 2.119 10 0 EEAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@]2(C)C1 ZINC001410179915 1197587173 /nfs/dbraw/zinc/58/71/73/1197587173.db2.gz LJITYDOKURYMIA-NXHRZFHOSA-N 2 0 327.488 2.247 10 0 EEAERP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001410212043 1197605833 /nfs/dbraw/zinc/60/58/33/1197605833.db2.gz OBWBWBSADBZYKK-BRWVUGGUSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1c(F)cccc1Cl ZINC001410430491 1197875348 /nfs/dbraw/zinc/87/53/48/1197875348.db2.gz FTZAJJZJWSMDAT-ZDUSSCGKSA-N 2 0 343.874 2.410 10 0 EEAERP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000872031627 1198030332 /nfs/dbraw/zinc/03/03/32/1198030332.db2.gz RLSKIYYMCDIUNQ-ICSRJNTNSA-N 2 0 346.519 2.389 10 0 EEAERP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000872146852 1198054362 /nfs/dbraw/zinc/05/43/62/1198054362.db2.gz ZFBDBRUMHGVWMK-SQNIBIBYSA-N 2 0 339.524 2.027 10 0 EEAERP C[C@@H](NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000865245422 1198138422 /nfs/dbraw/zinc/13/84/22/1198138422.db2.gz KJRDYMYVKQQLSE-KBAYOESNSA-N 2 0 348.560 2.293 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@H]1C ZINC001410850864 1198501876 /nfs/dbraw/zinc/50/18/76/1198501876.db2.gz JLJRZKZQIXIEIV-HUUCEWRRSA-N 2 0 344.459 2.247 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2ccccc2OC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001410869929 1198515681 /nfs/dbraw/zinc/51/56/81/1198515681.db2.gz WYEGVONFXZGZPB-CRAIPNDOSA-N 2 0 345.487 2.259 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)cs1 ZINC001411215051 1198925973 /nfs/dbraw/zinc/92/59/73/1198925973.db2.gz XVOKIMBOCRJHBP-LSDHHAIUSA-N 2 0 338.521 2.166 10 0 EEAERP CCC(CC)n1nccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020341 1200410973 /nfs/dbraw/zinc/41/09/73/1200410973.db2.gz MVHZVOUCRWQQSG-HZPDHXFCSA-N 2 0 349.523 2.056 10 0 EEAERP CCCc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870022934 1200412714 /nfs/dbraw/zinc/41/27/14/1200412714.db2.gz FONWIJFIEQAGLU-RTBURBONSA-N 2 0 331.504 2.451 10 0 EEAERP CC(C)(CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000870863494 1200918355 /nfs/dbraw/zinc/91/83/55/1200918355.db2.gz KNEREOQPMOUTBU-UWVAXJGDSA-N 2 0 327.472 2.067 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870896100 1200938720 /nfs/dbraw/zinc/93/87/20/1200938720.db2.gz OYAMSAUOPJLADU-JSOIOWGOSA-N 2 0 341.499 2.499 10 0 EEAERP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@H+](CC(C)(C)O)C3)CC2)C1 ZINC000866414557 1201511230 /nfs/dbraw/zinc/51/12/30/1201511230.db2.gz PQAKTPAMOXXBMX-WDSOQIARSA-N 2 0 337.552 2.464 10 0 EEAERP COCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CC[NH+](C)CC1 ZINC000866672990 1201576293 /nfs/dbraw/zinc/57/62/93/1201576293.db2.gz PHVDTINDPZBCSR-UHFFFAOYSA-N 3 0 331.504 2.123 10 0 EEAERP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000886537189 1202519688 /nfs/dbraw/zinc/51/96/88/1202519688.db2.gz VRXHJQFLTCMZOH-QAPCUYQASA-N 2 0 346.471 2.075 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001279182874 1204337937 /nfs/dbraw/zinc/33/79/37/1204337937.db2.gz ZKMHUXYNZAPQPK-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ncccc2C)C1 ZINC001274296571 1204988054 /nfs/dbraw/zinc/98/80/54/1204988054.db2.gz ANGXSJVTVVHCHA-PYTPGESOSA-N 2 0 344.503 2.274 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)NC/C=C/C[NH2+]CCC2CC2)[C@@H](c2ccccc2)C1 ZINC001274379719 1205015420 /nfs/dbraw/zinc/01/54/20/1205015420.db2.gz UYTOZFZSVHTKPB-KPDZFXRVSA-N 2 0 341.499 2.394 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCCO1 ZINC001274610224 1205097050 /nfs/dbraw/zinc/09/70/50/1205097050.db2.gz MXGJWAYZGUDMGM-PJHKVULZSA-N 2 0 337.508 2.082 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCCc2ccccc2)CC[N@@H+]1C ZINC001274760710 1205155297 /nfs/dbraw/zinc/15/52/97/1205155297.db2.gz REERGPBBCNQKJI-NZSAHSFTSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001275156621 1205269450 /nfs/dbraw/zinc/26/94/50/1205269450.db2.gz HALWNRVUPSATGV-YQVWRLOYSA-N 2 0 331.504 2.362 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC001275632814 1205454934 /nfs/dbraw/zinc/45/49/34/1205454934.db2.gz OHNJZWZOMXNDEV-AOCRQIFASA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC001276007347 1205631487 /nfs/dbraw/zinc/63/14/87/1205631487.db2.gz QSHIQPGEEGLNNG-NVXWUHKLSA-N 2 0 335.467 2.412 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C(C)C)cn2)CC1 ZINC000924688872 1206018240 /nfs/dbraw/zinc/01/82/40/1206018240.db2.gz GDRHTQNYZHCYOV-RBUKOAKNSA-N 2 0 346.519 2.374 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cc3ccccn3)cn2)CC1 ZINC000924689616 1206018346 /nfs/dbraw/zinc/01/83/46/1206018346.db2.gz KXIBYQVPOJULKU-KRWDZBQOSA-N 2 0 339.487 2.339 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925331882 1206098428 /nfs/dbraw/zinc/09/84/28/1206098428.db2.gz XWEQVCKDTCFHLM-VQIMIIECSA-N 2 0 344.503 2.385 10 0 EEAERP CC1(C)[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925562616 1206128417 /nfs/dbraw/zinc/12/84/17/1206128417.db2.gz IHKPGSCLBJCSEZ-CEXWTWQISA-N 2 0 328.504 2.412 10 0 EEAERP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000925832219 1206158376 /nfs/dbraw/zinc/15/83/76/1206158376.db2.gz BZSTWIMGDNJART-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842483 1206159344 /nfs/dbraw/zinc/15/93/44/1206159344.db2.gz JWSHOTJPDOSNLU-VBSBHUPXSA-N 2 0 328.504 2.414 10 0 EEAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925916407 1206167952 /nfs/dbraw/zinc/16/79/52/1206167952.db2.gz LUXASGAEWIAFNX-QZTJIDSGSA-N 2 0 347.507 2.200 10 0 EEAERP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926151947 1206199286 /nfs/dbraw/zinc/19/92/86/1206199286.db2.gz YMHVXMMSMZPNTG-SJORKVTESA-N 2 0 346.500 2.034 10 0 EEAERP COc1ccc2c(c1)C[C@@H](C[NH+]1CCC(C[NH+]3CCOCC3)CC1)O2 ZINC000929283044 1206462569 /nfs/dbraw/zinc/46/25/69/1206462569.db2.gz GDFCKHSEEFOILZ-IBGZPJMESA-N 2 0 346.471 2.043 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000929741592 1206497180 /nfs/dbraw/zinc/49/71/80/1206497180.db2.gz XDPFALVAFXRHOM-HNAYVOBHSA-N 2 0 346.475 2.042 10 0 EEAERP CC[N@H+](C[C@H](O)C1(O)CCCC1)CC1CCN(c2ccccn2)CC1 ZINC000929754307 1206498358 /nfs/dbraw/zinc/49/83/58/1206498358.db2.gz MGNUCQZHGPLBGW-SFHVURJKSA-N 2 0 347.503 2.286 10 0 EEAERP COc1ccc2c(c1)C[C@H](C[N@@H+]1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]31)O2 ZINC000930060433 1206532311 /nfs/dbraw/zinc/53/23/11/1206532311.db2.gz MGZRPMJMXILLJL-ZCDKGFTFSA-N 2 0 346.471 2.182 10 0 EEAERP C[C@@H]1C[NH+](C/C=C/C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)Cc2c[nH]nc21 ZINC000931460185 1207387076 /nfs/dbraw/zinc/38/70/76/1207387076.db2.gz FGYDVFKEXCJGHY-ISANGGDFSA-N 2 0 326.448 2.227 10 0 EEAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001412811287 1208470949 /nfs/dbraw/zinc/47/09/49/1208470949.db2.gz YVDDYHASWKZGRZ-HRCADAONSA-N 2 0 325.472 2.190 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C12CC[NH+](CC1)C2 ZINC000901064271 1235177080 /nfs/dbraw/zinc/17/70/80/1235177080.db2.gz OBWDBWRMYKVYEW-IAGOWNOFSA-N 2 0 341.499 2.355 10 0 EEAERP CC(C)C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000902831798 1238650108 /nfs/dbraw/zinc/65/01/08/1238650108.db2.gz FUHXLAOVJWVJFP-IBGZPJMESA-N 2 0 325.541 2.443 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000902924990 1239106086 /nfs/dbraw/zinc/10/60/86/1239106086.db2.gz DLYNRFWOARFYCL-QAPCUYQASA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000903217809 1240032280 /nfs/dbraw/zinc/03/22/80/1240032280.db2.gz DRBUPWYKOBQVHJ-HZPDHXFCSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000903431111 1240453357 /nfs/dbraw/zinc/45/33/57/1240453357.db2.gz NGRYAMPGKSZBJR-KGLIPLIRSA-N 2 0 334.439 2.267 10 0 EEAERP Cc1ccc([C@H](NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000903496494 1240672179 /nfs/dbraw/zinc/67/21/79/1240672179.db2.gz PQQSJRUXDQWRIF-ZTNFWEORSA-N 2 0 329.488 2.479 10 0 EEAERP O=c1[nH]c2cccc(N3CC[NH+](CCCC4CC[NH2+]CC4)CC3)c2[nH]1 ZINC000903577859 1241010042 /nfs/dbraw/zinc/01/00/42/1241010042.db2.gz XUCPCIQOZUECCN-UHFFFAOYSA-N 2 0 343.475 2.170 10 0 EEAERP C(CC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C[NH+]1CCCC1 ZINC000903756936 1241850807 /nfs/dbraw/zinc/85/08/07/1241850807.db2.gz XMLYPFYBUURTER-UXHICEINSA-N 3 0 335.536 2.343 10 0 EEAERP O=C1[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1c1ccccc1F ZINC000903926851 1242526309 /nfs/dbraw/zinc/52/63/09/1242526309.db2.gz UXJZYUVNBBXGGO-UCMJJCQDSA-N 2 0 331.435 2.441 10 0 EEAERP C[C@H](CCCc1cccnc1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903929043 1242539314 /nfs/dbraw/zinc/53/93/14/1242539314.db2.gz ADFYSFUWIUXOPF-WBVHZDCISA-N 2 0 328.464 2.099 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CC[C@H]2CCc3ccccc3N2)cnn1C ZINC000903932473 1242552854 /nfs/dbraw/zinc/55/28/54/1242552854.db2.gz RWJDHHAGFKSCCZ-VQIMIIECSA-N 2 0 341.503 2.253 10 0 EEAERP COc1cccc(C2([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC000903932556 1242555617 /nfs/dbraw/zinc/55/56/17/1242555617.db2.gz DQKKVXXBCRIDBZ-MRXNPFEDSA-N 2 0 341.459 2.380 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[NH+]2CCCCCC2)cc(Cl)n1 ZINC000826903058 1248116034 /nfs/dbraw/zinc/11/60/34/1248116034.db2.gz QZXFQOUDBHXNCA-OAHLLOKOSA-N 2 0 338.883 2.426 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001491062740 1258632362 /nfs/dbraw/zinc/63/23/62/1258632362.db2.gz KFOBWBORSJWKOH-TWMKSMIVSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491119622 1258700270 /nfs/dbraw/zinc/70/02/70/1258700270.db2.gz HGYDLDBDVLHOPT-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001491258943 1258857076 /nfs/dbraw/zinc/85/70/76/1258857076.db2.gz MFSDQJACOWNIKM-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c(C)n1 ZINC001491495297 1259145415 /nfs/dbraw/zinc/14/54/15/1259145415.db2.gz MMSCPUWWTUMYFE-MRXNPFEDSA-N 2 0 344.503 2.169 10 0 EEAERP CCC1([NH2+]CCC[C@H](C)O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001273782845 1285657446 /nfs/dbraw/zinc/65/74/46/1285657446.db2.gz PAVHOVPKSGOGMQ-DLBZAZTESA-N 2 0 341.540 2.094 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001488953574 1290293244 /nfs/dbraw/zinc/29/32/44/1290293244.db2.gz DQANDGCMIWSRGZ-LGYZJQKYSA-N 2 0 327.900 2.345 10 0 EEAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001489325510 1290510697 /nfs/dbraw/zinc/51/06/97/1290510697.db2.gz GMSJLXMDSDMSMN-HBKWROQRSA-N 2 0 339.911 2.394 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001490308850 1291180303 /nfs/dbraw/zinc/18/03/03/1291180303.db2.gz GGVNNRIKNAIWRV-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCc2ccccc2F)CC1 ZINC001490416020 1291327047 /nfs/dbraw/zinc/32/70/47/1291327047.db2.gz IHHFPEFJNJIKII-UHFFFAOYSA-N 2 0 335.467 2.243 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001490607448 1291517908 /nfs/dbraw/zinc/51/79/08/1291517908.db2.gz CFGPLMPYRMLPGA-HNNXBMFYSA-N 2 0 343.462 2.343 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001490741566 1291654961 /nfs/dbraw/zinc/65/49/61/1291654961.db2.gz JOCDTKREMSWKBC-QZTJIDSGSA-N 2 0 348.491 2.088 10 0 EEAERP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852883337 1292223917 /nfs/dbraw/zinc/22/39/17/1292223917.db2.gz IKRPVWVRUCQGMP-UHFFFAOYSA-N 2 0 329.488 2.319 10 0 EEAERP O=C1O[C@]2(CN1C[N@H+](CCC1CC1)CC1CC1)C[NH+]1CCC2CC1 ZINC000853607684 1292425343 /nfs/dbraw/zinc/42/53/43/1292425343.db2.gz SPRHKZGKBVBZNQ-IBGZPJMESA-N 2 0 333.476 2.373 10 0 EEAERP COc1ccc([C@@H](C)NCC23CC(C2)C[NH2+]3)cc1Cn1cccn1 ZINC000854227452 1292678121 /nfs/dbraw/zinc/67/81/21/1292678121.db2.gz OUEPNXUFAZZAAD-TZGCNFNXSA-N 2 0 326.444 2.343 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@H]3CCOC3)C2)ccn1 ZINC000856551267 1293565320 /nfs/dbraw/zinc/56/53/20/1293565320.db2.gz OAPCJQJNMWRWNT-LPHOPBHVSA-N 2 0 333.476 2.413 10 0 EEAERP OC1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC[NH+](Cc2ccccc2)CC1 ZINC000857869327 1293936701 /nfs/dbraw/zinc/93/67/01/1293936701.db2.gz MYQDPEHNUJNPAN-GOSISDBHSA-N 2 0 340.471 2.404 10 0 EEAERP CN(CCC[NH2+]Cc1ccn(C2CCCC2)n1)C(=O)C[NH+]1CCCC1 ZINC001276387125 1296771445 /nfs/dbraw/zinc/77/14/45/1296771445.db2.gz WVVPPZUFFUMBNI-UHFFFAOYSA-N 2 0 347.507 2.032 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931377321 1297165388 /nfs/dbraw/zinc/16/53/88/1297165388.db2.gz WCDRLUQLYRLUCN-CVEARBPZSA-N 2 0 330.476 2.443 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCCC(F)(F)F)CC1 ZINC001277141655 1301480775 /nfs/dbraw/zinc/48/07/75/1301480775.db2.gz RBBMOCBQMCDTOT-ZDUSSCGKSA-N 2 0 335.414 2.442 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CN(C)CCO2)c(C)c1 ZINC001277157425 1301568691 /nfs/dbraw/zinc/56/86/91/1301568691.db2.gz YYEHPOSSPUIWRF-MJGOQNOKSA-N 2 0 347.503 2.009 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC001277193729 1301752127 /nfs/dbraw/zinc/75/21/27/1301752127.db2.gz MBRVEXWELIDJLJ-RYQLBKOJSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001277334970 1302475330 /nfs/dbraw/zinc/47/53/30/1302475330.db2.gz FFVWKSWFJZMEJO-QGZVFWFLSA-N 2 0 329.488 2.465 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001277718776 1304257135 /nfs/dbraw/zinc/25/71/35/1304257135.db2.gz XHJAELDMYADXOQ-JSGCOSHPSA-N 2 0 335.414 2.107 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001277763137 1304362337 /nfs/dbraw/zinc/36/23/37/1304362337.db2.gz JAPNMDPQTQWCCG-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)(C)OC(=O)NCCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000698559373 1304443560 /nfs/dbraw/zinc/44/35/60/1304443560.db2.gz NSFGYIHBXIUNAB-HZPDHXFCSA-N 2 0 341.496 2.134 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)Nc2cccc(OCC[NH3+])c2)cc(Cl)n1 ZINC000841847596 1315621923 /nfs/dbraw/zinc/62/19/23/1315621923.db2.gz BFJRGBYQUXFTJV-OAHLLOKOSA-N 2 0 348.834 2.410 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]([NH3+])C(C)(C)C)C[C@H](C)O1 ZINC000237684527 1316521630 /nfs/dbraw/zinc/52/16/30/1316521630.db2.gz JPEKABFMVRTHSV-DAYGRLMNSA-N 2 0 347.503 2.285 10 0 EEAERP CC1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCF ZINC001278689621 1317742617 /nfs/dbraw/zinc/74/26/17/1317742617.db2.gz FOWYBKFGEWFXIU-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP COCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001263960512 1322571488 /nfs/dbraw/zinc/57/14/88/1322571488.db2.gz JASQGGQANGTZHZ-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001264126157 1322635657 /nfs/dbraw/zinc/63/56/57/1322635657.db2.gz RRZFWCSKHZIFRB-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001264153637 1322642623 /nfs/dbraw/zinc/64/26/23/1322642623.db2.gz AQATWJJKBHVFKJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001264437047 1322701940 /nfs/dbraw/zinc/70/19/40/1322701940.db2.gz PNTQZACYNNIKFR-WGSAOQKQSA-N 2 0 341.499 2.199 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)co1 ZINC001264520499 1322723604 /nfs/dbraw/zinc/72/36/04/1322723604.db2.gz MAZRLMUJTGFJSL-YJBOKZPZSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001264552308 1322730896 /nfs/dbraw/zinc/73/08/96/1322730896.db2.gz RWLCMZUAIRETAK-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@@H+]1CCCOC ZINC001264620012 1322752022 /nfs/dbraw/zinc/75/20/22/1322752022.db2.gz QNYVPZJVTZTIPN-RCCFBDPRSA-N 2 0 339.524 2.255 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001264683429 1322782801 /nfs/dbraw/zinc/78/28/01/1322782801.db2.gz CVKGWFKMEKJKTR-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001265434191 1323153654 /nfs/dbraw/zinc/15/36/54/1323153654.db2.gz ZXZAMDPVTCHEDF-INIZCTEOSA-N 2 0 335.517 2.356 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001265442725 1323157875 /nfs/dbraw/zinc/15/78/75/1323157875.db2.gz CPXHUUJPVVUUME-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265461165 1323167206 /nfs/dbraw/zinc/16/72/06/1323167206.db2.gz JZCDDRVNQUVOIQ-IBGZPJMESA-N 2 0 344.503 2.347 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001265570176 1323224462 /nfs/dbraw/zinc/22/44/62/1323224462.db2.gz TUSFYQJDRSMQKD-HDICACEKSA-N 2 0 345.487 2.015 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001265850848 1323424151 /nfs/dbraw/zinc/42/41/51/1323424151.db2.gz JMVVQZVPERQIEA-WBVHZDCISA-N 2 0 335.467 2.194 10 0 EEAERP Cc1cncc(C[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001265865318 1323438484 /nfs/dbraw/zinc/43/84/84/1323438484.db2.gz YBPMERDEMCAKKL-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001266029435 1323580090 /nfs/dbraw/zinc/58/00/90/1323580090.db2.gz QJNLKSOXADJQQC-OZFCATNASA-N 2 0 339.911 2.299 10 0 EEAERP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266107351 1323674128 /nfs/dbraw/zinc/67/41/28/1323674128.db2.gz BDTRIXWXSZMYJV-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1)[NH+](C)C ZINC001266222539 1323793816 /nfs/dbraw/zinc/79/38/16/1323793816.db2.gz CRVADHXVLDWXRT-ZWKOTPCHSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001280083040 1324078301 /nfs/dbraw/zinc/07/83/01/1324078301.db2.gz GWBQUBPSPTXKSB-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001280745939 1324472370 /nfs/dbraw/zinc/47/23/70/1324472370.db2.gz FTBYDLRLNFTVGW-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001276640732 1324923656 /nfs/dbraw/zinc/92/36/56/1324923656.db2.gz FQUNKRNVPSNOAI-SJORKVTESA-N 2 0 335.517 2.259 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC001281475711 1325146576 /nfs/dbraw/zinc/14/65/76/1325146576.db2.gz KHZLXRHPOILMHW-HKUYNNGSSA-N 2 0 347.503 2.232 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC001282273827 1325674339 /nfs/dbraw/zinc/67/43/39/1325674339.db2.gz BCSIVWNMLJGFDH-UHFFFAOYSA-N 2 0 349.523 2.011 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)C1CC[NH+](CC2CC2)CC1 ZINC001283092223 1325916081 /nfs/dbraw/zinc/91/60/81/1325916081.db2.gz QLJVQCMLVLNRFN-NPNMEQAGSA-N 2 0 339.911 2.345 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccn(C)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283173217 1325943851 /nfs/dbraw/zinc/94/38/51/1325943851.db2.gz JLNFSKIEGKBIPV-INIZCTEOSA-N 2 0 349.523 2.059 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC001283174064 1325944342 /nfs/dbraw/zinc/94/43/42/1325944342.db2.gz PSAPFNZZTSBBRL-GUYCJALGSA-N 2 0 348.491 2.008 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCCc2cccc(F)c2)CCN1C(=O)CC[NH+](C)C ZINC001283896920 1326307856 /nfs/dbraw/zinc/30/78/56/1326307856.db2.gz AYTWTVPWPBBHPW-QAPCUYQASA-N 2 0 335.467 2.289 10 0 EEAERP COCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001283997913 1326355839 /nfs/dbraw/zinc/35/58/39/1326355839.db2.gz DYRNSMFOFSXANQ-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284003767 1326358705 /nfs/dbraw/zinc/35/87/05/1326358705.db2.gz LXTKLMVAYSCVFJ-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP C[N@H+](CCCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001299058721 1330154982 /nfs/dbraw/zinc/15/49/82/1330154982.db2.gz WOEVLAMSTPLIMT-MOPGFXCFSA-N 2 0 329.488 2.322 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001491827117 1330266069 /nfs/dbraw/zinc/26/60/69/1330266069.db2.gz XQDYYOPJLRJXKG-APWZRJJASA-N 2 0 347.478 2.291 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001491808061 1330277548 /nfs/dbraw/zinc/27/75/48/1330277548.db2.gz HBNQRRQDPTUTOM-HOCLYGCPSA-N 2 0 341.496 2.366 10 0 EEAERP CC(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001491879545 1330286416 /nfs/dbraw/zinc/28/64/16/1330286416.db2.gz YXNQBCRPMJEFKC-DLBZAZTESA-N 2 0 349.523 2.121 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3cncc(F)c3)C2)CC1 ZINC001491881770 1330287485 /nfs/dbraw/zinc/28/74/85/1330287485.db2.gz JIEFHRQLPIRUJB-IRXDYDNUSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCCc2ccsc2)CC[N@@H+]1C ZINC001492257302 1331118239 /nfs/dbraw/zinc/11/82/39/1331118239.db2.gz OZJSMCRCQFLSPX-DLBZAZTESA-N 2 0 337.533 2.459 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316684216 1331321721 /nfs/dbraw/zinc/32/17/21/1331321721.db2.gz FHTVIRMVXIFXRL-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CC(F)(F)C1 ZINC001316854273 1331470840 /nfs/dbraw/zinc/47/08/40/1331470840.db2.gz OAEDMAGVAOBWAA-CVEARBPZSA-N 2 0 343.462 2.487 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001316752919 1331873387 /nfs/dbraw/zinc/87/33/87/1331873387.db2.gz YSNFWRPELODNTF-WWOCKSRZSA-N 2 0 345.531 2.465 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001316907254 1331972947 /nfs/dbraw/zinc/97/29/47/1331972947.db2.gz LCNKUXRNOOGHJB-SJORKVTESA-N 2 0 347.507 2.016 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001316907246 1331973162 /nfs/dbraw/zinc/97/31/62/1331973162.db2.gz LCNKUXRNOOGHJB-DLBZAZTESA-N 2 0 347.507 2.016 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC[C@H]1CCCCO1)C1CC1 ZINC001316914183 1331980390 /nfs/dbraw/zinc/98/03/90/1331980390.db2.gz KNAZLRMZUHDZND-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317157469 1332104304 /nfs/dbraw/zinc/10/43/04/1332104304.db2.gz JNASFBOOEFOMBU-ZDUSSCGKSA-N 2 0 336.307 2.475 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001317162981 1332106670 /nfs/dbraw/zinc/10/66/70/1332106670.db2.gz YBXCUMLZZDSVLI-LERPRCHQSA-N 2 0 327.900 2.299 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001317166231 1332108595 /nfs/dbraw/zinc/10/85/95/1332108595.db2.gz XGVRLFGNJTUXBQ-HUUCEWRRSA-N 2 0 349.441 2.499 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001317193723 1332124421 /nfs/dbraw/zinc/12/44/21/1332124421.db2.gz MQYSNELTDSZPBK-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCCC2CCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001317342895 1332187391 /nfs/dbraw/zinc/18/73/91/1332187391.db2.gz LTWCEZVJNLLSLH-QUCCMNQESA-N 2 0 333.520 2.491 10 0 EEAERP Cc1conc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001317425422 1332228731 /nfs/dbraw/zinc/22/87/31/1332228731.db2.gz ZMOLZKFUSDXUNG-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)n1 ZINC001317603743 1332321592 /nfs/dbraw/zinc/32/15/92/1332321592.db2.gz REKZCRSGZIMCRK-UHFFFAOYSA-N 2 0 343.456 2.269 10 0 EEAERP CN(CC[NH2+]CCCC1CCOCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317617958 1332330795 /nfs/dbraw/zinc/33/07/95/1332330795.db2.gz VOIALVZWIRCPBX-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317675494 1332364805 /nfs/dbraw/zinc/36/48/05/1332364805.db2.gz ICFHCKHDTRDASR-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001319757895 1332759762 /nfs/dbraw/zinc/75/97/62/1332759762.db2.gz HJUHSLWESBEKOL-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320417391 1332878622 /nfs/dbraw/zinc/87/86/22/1332878622.db2.gz ZQNSSWPAWKMNIR-DNVCBOLYSA-N 2 0 347.478 2.482 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320891451 1332973243 /nfs/dbraw/zinc/97/32/43/1332973243.db2.gz JHBIVEBQOODZFJ-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001320902448 1332975440 /nfs/dbraw/zinc/97/54/40/1332975440.db2.gz HSRCPOOFDFBEDL-FQEVSTJZSA-N 2 0 329.488 2.153 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394127 1333093876 /nfs/dbraw/zinc/09/38/76/1333093876.db2.gz VVSLRXCLRNSKAO-IPLHWJFFSA-N 2 0 345.487 2.188 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321416238 1333098678 /nfs/dbraw/zinc/09/86/78/1333098678.db2.gz HKOJLEHANAMTPR-XTBPLBNGSA-N 2 0 336.505 2.086 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001322086765 1333206357 /nfs/dbraw/zinc/20/63/57/1333206357.db2.gz CGTLOWJSSGTRJL-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322358527 1333253392 /nfs/dbraw/zinc/25/33/92/1333253392.db2.gz HHYDSMDGJMRTNW-RBUKOAKNSA-N 2 0 347.503 2.273 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(C2CC2)o1)C(=O)C12CCC[NH+]1CCC2 ZINC001322589875 1333289234 /nfs/dbraw/zinc/28/92/34/1333289234.db2.gz BMPAIMGMOGKIHY-UHFFFAOYSA-N 2 0 346.475 2.119 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001323872920 1333563718 /nfs/dbraw/zinc/56/37/18/1333563718.db2.gz MIKXMWBMLUBFDC-ZRHASKPBSA-N 2 0 331.504 2.363 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CCCC[NH+](C)C ZINC001324091344 1333607120 /nfs/dbraw/zinc/60/71/20/1333607120.db2.gz VDJGJRKLJFGBBJ-FUHWJXTLSA-N 2 0 332.492 2.283 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001324260020 1333644094 /nfs/dbraw/zinc/64/40/94/1333644094.db2.gz FCCHVLQSLOIMFD-FBFPYJBRSA-N 2 0 339.911 2.442 10 0 EEAERP COCCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001326272071 1334056953 /nfs/dbraw/zinc/05/69/53/1334056953.db2.gz HPNWQILBMFVFIU-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001327082390 1334217882 /nfs/dbraw/zinc/21/78/82/1334217882.db2.gz SEAVYCFTOYXETR-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1)[NH+](C)C ZINC001327655665 1334328557 /nfs/dbraw/zinc/32/85/57/1334328557.db2.gz FCTPNNXMXWOCQX-HNNXBMFYSA-N 2 0 327.513 2.018 10 0 EEAERP CCOCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001329244421 1334614631 /nfs/dbraw/zinc/61/46/31/1334614631.db2.gz XMLPUYQTJHNYMQ-ABHNRTSZSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329591882 1334680247 /nfs/dbraw/zinc/68/02/47/1334680247.db2.gz HRQUFBFJOYJPPT-OLZOCXBDSA-N 2 0 348.318 2.103 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001330699917 1334888855 /nfs/dbraw/zinc/88/88/55/1334888855.db2.gz GSEXSGLGCRVFTH-IRJFHVNHSA-N 2 0 343.515 2.372 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001331145061 1334971019 /nfs/dbraw/zinc/97/10/19/1334971019.db2.gz OLIUAUHKVAMMTE-HKUYNNGSSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001332025399 1335708583 /nfs/dbraw/zinc/70/85/83/1335708583.db2.gz IQMBBNDZVUFRDC-ZWKOTPCHSA-N 2 0 347.503 2.213 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001332180472 1335754165 /nfs/dbraw/zinc/75/41/65/1335754165.db2.gz XNGVICVCPFDLAV-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+](C)C)CC2(C)C)c1 ZINC001332436509 1335823966 /nfs/dbraw/zinc/82/39/66/1335823966.db2.gz FBFROYQNMOCYMO-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900673 1335927376 /nfs/dbraw/zinc/92/73/76/1335927376.db2.gz VCKKDRQBMXAGJY-SJORKVTESA-N 2 0 341.540 2.121 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001333108410 1335963974 /nfs/dbraw/zinc/96/39/74/1335963974.db2.gz QHRHLMZKNUSFIZ-UHFFFAOYSA-N 2 0 338.883 2.156 10 0 EEAERP CC[N@@H+]1CC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001433863688 1341707770 /nfs/dbraw/zinc/70/77/70/1341707770.db2.gz NDYUBMGTBJAZQI-SFHVURJKSA-N 2 0 330.476 2.241 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2coc(C)n2)C1 ZINC001670218812 1356298543 /nfs/dbraw/zinc/29/85/43/1356298543.db2.gz QOLDBHZVVWZGPX-INIZCTEOSA-N 2 0 336.480 2.043 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1Cl)C(=O)CC[NH+](C)C ZINC001670233577 1356300987 /nfs/dbraw/zinc/30/09/87/1356300987.db2.gz XUCUFDAKCBZIDL-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497975957 1342104367 /nfs/dbraw/zinc/10/43/67/1342104367.db2.gz VIUHVUVVJJGNEB-HIFRSBDPSA-N 2 0 335.414 2.299 10 0 EEAERP C[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccon2)C1)[NH+]1CCCCCC1 ZINC001500381598 1342184223 /nfs/dbraw/zinc/18/42/23/1342184223.db2.gz BBORYUSAPQUVEZ-LPHOPBHVSA-N 2 0 348.491 2.267 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001565843615 1342568576 /nfs/dbraw/zinc/56/85/76/1342568576.db2.gz WGSMFRJPZATOHQ-CALCHBBNSA-N 2 0 339.524 2.160 10 0 EEAERP COc1cccc(CCC[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001567016511 1342679173 /nfs/dbraw/zinc/67/91/73/1342679173.db2.gz GYQGGPAVHRQSDC-FRQCXROJSA-N 2 0 347.503 2.062 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001567176273 1342705002 /nfs/dbraw/zinc/70/50/02/1342705002.db2.gz JWSUEJMZUMJONA-MSOLQXFVSA-N 2 0 347.507 2.034 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)CCC[NH+](C)C ZINC001567551767 1342783916 /nfs/dbraw/zinc/78/39/16/1342783916.db2.gz MYVFKZZNXXPTIP-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1 ZINC001567663058 1342808085 /nfs/dbraw/zinc/80/80/85/1342808085.db2.gz FUOGXLJYQIMNEB-RTBURBONSA-N 2 0 347.503 2.079 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)C1 ZINC001567742363 1342830755 /nfs/dbraw/zinc/83/07/55/1342830755.db2.gz MSNYFVCGRRNSJA-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C[NH2+]CCCF ZINC001569836980 1342955702 /nfs/dbraw/zinc/95/57/02/1342955702.db2.gz JDAJLKSEMFJBCM-JKSUJKDBSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001570022201 1343001680 /nfs/dbraw/zinc/00/16/80/1343001680.db2.gz POGCKRZSFNKQEY-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001570183386 1343028782 /nfs/dbraw/zinc/02/87/82/1343028782.db2.gz JLEXNYAAPOXNKV-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C/Cl ZINC001570366422 1343062366 /nfs/dbraw/zinc/06/23/66/1343062366.db2.gz WPYVYRYVUFMULW-DODUIYEKSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001570514304 1343077460 /nfs/dbraw/zinc/07/74/60/1343077460.db2.gz QROTZKFBZVKVKX-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001571558627 1343237277 /nfs/dbraw/zinc/23/72/77/1343237277.db2.gz NWGDKQFUPHFOAH-QGZVFWFLSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@@H](C(F)(F)F)C1 ZINC001571572874 1343241454 /nfs/dbraw/zinc/24/14/54/1343241454.db2.gz ZFJYPZKCFMUKFI-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001571687092 1343271932 /nfs/dbraw/zinc/27/19/32/1343271932.db2.gz SRKJGISFYZRQSY-SFHVURJKSA-N 2 0 337.508 2.034 10 0 EEAERP CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001677028132 1357264944 /nfs/dbraw/zinc/26/49/44/1357264944.db2.gz HLQXPEKJXHSWRG-GOSISDBHSA-N 2 0 347.503 2.225 10 0 EEAERP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001621584584 1352370746 /nfs/dbraw/zinc/37/07/46/1352370746.db2.gz LYUWDCJOPFRPTL-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CCCCCC[C@](O)(C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC ZINC001644682490 1352765706 /nfs/dbraw/zinc/76/57/06/1352765706.db2.gz RRHIJOIODRSBEQ-WMZOPIPTSA-N 2 0 328.497 2.135 10 0 EEAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC[NH+](C)Cc3ccccc3)C[N@@H+]2C1 ZINC001646935688 1353057161 /nfs/dbraw/zinc/05/71/61/1353057161.db2.gz OGOLTXWJEXHPAN-NZSAHSFTSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@@H]([NH2+]CCCO)C2)c1 ZINC001656908881 1354298542 /nfs/dbraw/zinc/29/85/42/1354298542.db2.gz LVSGMPKYGPJWJY-LJQANCHMSA-N 2 0 347.503 2.105 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCc2ccccc21 ZINC001660368945 1354450409 /nfs/dbraw/zinc/45/04/09/1354450409.db2.gz NVQGZFXWVOSUTO-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP O=C(NCCC[N@@H+](CCC(F)(F)F)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001660686130 1354516311 /nfs/dbraw/zinc/51/63/11/1354516311.db2.gz YIFOLXBOPYZKRF-OAHLLOKOSA-N 2 0 347.425 2.251 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001661079130 1354587808 /nfs/dbraw/zinc/58/78/08/1354587808.db2.gz ULOSEMSLHPAVCV-INIZCTEOSA-N 2 0 325.472 2.193 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001662680911 1354825232 /nfs/dbraw/zinc/82/52/32/1354825232.db2.gz VHIWUAGDIVJXSL-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001662919387 1354876586 /nfs/dbraw/zinc/87/65/86/1354876586.db2.gz TVZHRYBKUDFFPP-RCCFBDPRSA-N 2 0 347.503 2.198 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001663553247 1354985685 /nfs/dbraw/zinc/98/56/85/1354985685.db2.gz RBEBACVNTBETIU-IBGZPJMESA-N 2 0 344.503 2.428 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001664309267 1355135551 /nfs/dbraw/zinc/13/55/51/1355135551.db2.gz KRLOSBLWBULMNF-LJQANCHMSA-N 2 0 331.504 2.181 10 0 EEAERP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001665743062 1355380930 /nfs/dbraw/zinc/38/09/30/1355380930.db2.gz TWINZPWFTTWRBG-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)C[NH+]1CCCC1 ZINC001668645511 1355978858 /nfs/dbraw/zinc/97/88/58/1355978858.db2.gz NHQHLBLESMFVIL-UHFFFAOYSA-N 2 0 329.444 2.467 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001668834422 1356016340 /nfs/dbraw/zinc/01/63/40/1356016340.db2.gz XGHMACQOUMSRFE-DRJMZUFCSA-N 2 0 340.471 2.270 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001669008025 1356066090 /nfs/dbraw/zinc/06/60/90/1356066090.db2.gz DUWBLPOTBAEGBT-OAJJDEHYSA-N 2 0 333.451 2.417 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001669139361 1356104097 /nfs/dbraw/zinc/10/40/97/1356104097.db2.gz NTMRKMSGGJLSOA-APHBUQMISA-N 2 0 335.517 2.469 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001669137857 1356104668 /nfs/dbraw/zinc/10/46/68/1356104668.db2.gz FEFWWKPIIRDTFG-RTRPANQVSA-N 2 0 327.472 2.414 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001669411762 1356156281 /nfs/dbraw/zinc/15/62/81/1356156281.db2.gz VIQZPIGMIPXJKO-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669482161 1356165659 /nfs/dbraw/zinc/16/56/59/1356165659.db2.gz GJHIKOXQTSBJQY-CRAIPNDOSA-N 2 0 333.476 2.025 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001670095596 1356275012 /nfs/dbraw/zinc/27/50/12/1356275012.db2.gz PVKYLIDQCOGFSL-GOSISDBHSA-N 2 0 347.478 2.414 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+][C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001670099829 1356275419 /nfs/dbraw/zinc/27/54/19/1356275419.db2.gz FYIHOMGRQYXUAX-SUMDDJOVSA-N 2 0 329.488 2.452 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001671364361 1356332098 /nfs/dbraw/zinc/33/20/98/1356332098.db2.gz LXDMKRCHNCFONP-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001671780871 1356413810 /nfs/dbraw/zinc/41/38/10/1356413810.db2.gz ZUYQLWUTKMTBSQ-QGZVFWFLSA-N 2 0 338.883 2.015 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672235600 1356485936 /nfs/dbraw/zinc/48/59/36/1356485936.db2.gz WDFQTWSBDSCUIQ-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001672306369 1356498511 /nfs/dbraw/zinc/49/85/11/1356498511.db2.gz VPOFTXZYIWLDIH-AEFFLSMTSA-N 2 0 349.494 2.394 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001672328139 1356501483 /nfs/dbraw/zinc/50/14/83/1356501483.db2.gz MXVOHKMOAHUIPI-STQMWFEESA-N 2 0 336.307 2.331 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001673129313 1356648126 /nfs/dbraw/zinc/64/81/26/1356648126.db2.gz ZKWNECMROURGRN-MRXNPFEDSA-N 2 0 347.528 2.357 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)C1 ZINC001674579312 1356860171 /nfs/dbraw/zinc/86/01/71/1356860171.db2.gz XCGKQLKWCZBMLZ-KLHKWILBSA-N 2 0 347.478 2.194 10 0 EEAERP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001675263523 1356954986 /nfs/dbraw/zinc/95/49/86/1356954986.db2.gz UBNNGDNMGFMQSA-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001675746140 1357045396 /nfs/dbraw/zinc/04/53/96/1357045396.db2.gz ZJQKMEYRTULZIF-BHIYHBOVSA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+]CCCF)cc2)CC[N@@H+]1C ZINC001698718266 1405022844 /nfs/dbraw/zinc/02/28/44/1405022844.db2.gz MALOVUYRDQBTCX-ZWKOTPCHSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001698919655 1405161057 /nfs/dbraw/zinc/16/10/57/1405161057.db2.gz DMRQVEWKQSACPQ-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1 ZINC001699112599 1405267995 /nfs/dbraw/zinc/26/79/95/1405267995.db2.gz MRTRLDQBDKIFJM-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP CCN1CCO[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001699551694 1405387789 /nfs/dbraw/zinc/38/77/89/1405387789.db2.gz RAZPKQTYFGATQW-MJGOQNOKSA-N 2 0 347.503 2.215 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC=C(Cl)Cl)CC[N@@H+]1C ZINC001699752119 1405466616 /nfs/dbraw/zinc/46/66/16/1405466616.db2.gz YOYAYGNOUYLOSP-FRRDWIJNSA-N 2 0 334.291 2.226 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000921432034 773368440 /nfs/dbraw/zinc/36/84/40/773368440.db2.gz FJXUMZPVDMXTNK-JOCBIADPSA-N 2 0 330.476 2.041 10 0 EEAERP OC[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2 ZINC000169789464 790570542 /nfs/dbraw/zinc/57/05/42/790570542.db2.gz JUSFSGIRIXHJOL-CQSZACIVSA-N 2 0 344.377 2.379 10 0 EEAERP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925847066 779493888 /nfs/dbraw/zinc/49/38/88/779493888.db2.gz RXCXZQGJOHQQIP-TTZDDIAXSA-N 2 0 330.419 2.475 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1[NH+]1CCCC1 ZINC000907349348 784576444 /nfs/dbraw/zinc/57/64/44/784576444.db2.gz FFMKIQXDCPCXNI-YYIAUSFCSA-N 2 0 337.533 2.042 10 0 EEAERP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000819062665 785406817 /nfs/dbraw/zinc/40/68/17/785406817.db2.gz RYQVDMMGNPIWSR-OALUTQOASA-N 2 0 337.483 2.029 10 0 EEAERP O=C(N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000911573306 787548565 /nfs/dbraw/zinc/54/85/65/787548565.db2.gz KUSIDNCFOAUMAM-RTBURBONSA-N 2 0 339.483 2.350 10 0 EEAERP Cc1cc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc(C)n1 ZINC000922927822 788357591 /nfs/dbraw/zinc/35/75/91/788357591.db2.gz XQSNKQPHEBBDFM-JKSUJKDBSA-N 2 0 334.489 2.077 10 0 EEAERP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303761 789342903 /nfs/dbraw/zinc/34/29/03/789342903.db2.gz KKPALAQSFUKLLJ-CQSZACIVSA-N 2 0 330.350 2.396 10 0 EEAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000923316145 789357279 /nfs/dbraw/zinc/35/72/79/789357279.db2.gz SRDHKVIHOFASQT-GSPSYOTPSA-N 2 0 333.398 2.002 10 0 EEAERP O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923321460 789378483 /nfs/dbraw/zinc/37/84/83/789378483.db2.gz NSRDGFDDRATXEF-DKUMPPAJSA-N 2 0 334.489 2.467 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cccc3c1OC(F)(F)O3)CC2 ZINC000923444889 789554676 /nfs/dbraw/zinc/55/46/76/789554676.db2.gz INIXAHUQFMIBGB-CYBMUJFWSA-N 2 0 340.370 2.338 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000923448675 789561652 /nfs/dbraw/zinc/56/16/52/789561652.db2.gz FZTQQGRUUKKYEK-INIZCTEOSA-N 2 0 327.428 2.270 10 0 EEAERP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455349 789571732 /nfs/dbraw/zinc/57/17/32/789571732.db2.gz LEVUVPRGKWVRHA-HZPDHXFCSA-N 2 0 331.460 2.152 10 0 EEAERP CC(C)N(C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923458210 789575627 /nfs/dbraw/zinc/57/56/27/789575627.db2.gz NBTQRNNTLVAWRA-GOSISDBHSA-N 2 0 345.487 2.258 10 0 EEAERP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497655 789672093 /nfs/dbraw/zinc/67/20/93/789672093.db2.gz ICNXTCBKSSRPHB-WBVHZDCISA-N 2 0 333.476 2.008 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH+](C)CC2)CCOCC1 ZINC000922749510 801798843 /nfs/dbraw/zinc/79/88/43/801798843.db2.gz ZJCHXGXLGJRYRJ-UHFFFAOYSA-N 2 0 331.504 2.351 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]CCF)CC1 ZINC001565940896 1125467399 /nfs/dbraw/zinc/46/73/99/1125467399.db2.gz FQLBDAZDGMCLCD-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436422076 1087783662 /nfs/dbraw/zinc/78/36/62/1087783662.db2.gz PCQJUNRAYDAXTB-JENIJYKNSA-N 2 0 344.503 2.106 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001436480497 1087961018 /nfs/dbraw/zinc/96/10/18/1087961018.db2.gz GSRYPFZQDNQTPQ-BEFAXECRSA-N 2 0 329.488 2.206 10 0 EEAERP Cc1cccc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)c1 ZINC001436801532 1088378109 /nfs/dbraw/zinc/37/81/09/1088378109.db2.gz ULUDFLGLFPOOSX-RTBURBONSA-N 2 0 329.488 2.464 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC001436830224 1088439381 /nfs/dbraw/zinc/43/93/81/1088439381.db2.gz FIKUKIVGYLNLKE-IBGZPJMESA-N 2 0 345.487 2.041 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cscn2)C1)[NH+]1CCCC1 ZINC001436932938 1088603858 /nfs/dbraw/zinc/60/38/58/1088603858.db2.gz AFNFOLWSUCCONH-IIAWOOMASA-N 2 0 336.505 2.000 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436957716 1088646250 /nfs/dbraw/zinc/64/62/50/1088646250.db2.gz FCDBGKCISYGLSB-NAMYYYICSA-N 2 0 335.879 2.394 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001436977544 1088673227 /nfs/dbraw/zinc/67/32/27/1088673227.db2.gz SWGBXYUSQODDOM-ZIFCJYIRSA-N 2 0 347.503 2.327 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001436999278 1088750254 /nfs/dbraw/zinc/75/02/54/1088750254.db2.gz MQNLTAYQVJDYDQ-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001437030897 1088849377 /nfs/dbraw/zinc/84/93/77/1088849377.db2.gz BHCCJNOCZHKUKD-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001437133921 1089123240 /nfs/dbraw/zinc/12/32/40/1089123240.db2.gz VBXXKNMUVZKMPR-FRQCXROJSA-N 2 0 347.503 2.408 10 0 EEAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001437419172 1089700073 /nfs/dbraw/zinc/70/00/73/1089700073.db2.gz SWXHEVBOGCLBJO-HIFRSBDPSA-N 2 0 332.448 2.152 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001437723952 1090277938 /nfs/dbraw/zinc/27/79/38/1090277938.db2.gz GGSCZDYJXMPCLY-MJGOQNOKSA-N 2 0 329.488 2.275 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001437906306 1090485488 /nfs/dbraw/zinc/48/54/88/1090485488.db2.gz KBEZSIKGHTZKAI-DLBZAZTESA-N 2 0 348.491 2.056 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCCF)C1 ZINC001437945885 1090541508 /nfs/dbraw/zinc/54/15/08/1090541508.db2.gz MFXNNDIKIZFZFK-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP CN(C)c1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437946231 1090542753 /nfs/dbraw/zinc/54/27/53/1090542753.db2.gz PWFXDACWGAIMDC-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001437960884 1090556337 /nfs/dbraw/zinc/55/63/37/1090556337.db2.gz RUENBFQGHIEXQB-OAHLLOKOSA-N 2 0 348.491 2.220 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001437984682 1090577765 /nfs/dbraw/zinc/57/77/65/1090577765.db2.gz BOULHLUMZQSBCT-VQIMIIECSA-N 2 0 329.488 2.406 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCOC(C)C)C1 ZINC001437986713 1090580654 /nfs/dbraw/zinc/58/06/54/1090580654.db2.gz HPXPKUJMHYAFKM-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CC/C=C/c3ccccc3)C2)C1 ZINC001438164521 1090676649 /nfs/dbraw/zinc/67/66/49/1090676649.db2.gz XVQHGIILKMDKOS-NTPDMAOXSA-N 2 0 341.499 2.480 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1C[NH+](Cc2ccsc2)C1)[NH+]1CCCC1 ZINC001438163771 1090676994 /nfs/dbraw/zinc/67/69/94/1090676994.db2.gz ZODSPOKONYMHNZ-KRWDZBQOSA-N 2 0 335.517 2.417 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001438313271 1090792125 /nfs/dbraw/zinc/79/21/25/1090792125.db2.gz QMNPSGFJYAGOHI-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CC(F)(F)C1 ZINC001438355999 1090832744 /nfs/dbraw/zinc/83/27/44/1090832744.db2.gz DLODCYXTOQHQGS-HOCLYGCPSA-N 2 0 329.435 2.002 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]Cc3ccc(F)cn3)CCCC2)C1 ZINC001438407856 1090895094 /nfs/dbraw/zinc/89/50/94/1090895094.db2.gz XZZNEDMGFVOHCB-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)CC(C)(C)C ZINC001438443070 1090945933 /nfs/dbraw/zinc/94/59/33/1090945933.db2.gz RMOAZMFXSUCDAT-BRWVUGGUSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001438495021 1090992428 /nfs/dbraw/zinc/99/24/28/1090992428.db2.gz WDKMQZWCIZMVEA-FOIQADDNSA-N 2 0 343.515 2.487 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001438665037 1091153456 /nfs/dbraw/zinc/15/34/56/1091153456.db2.gz JOHATKYWFODAIJ-AWEZNQCLSA-N 2 0 348.491 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cncc(C)c2)C1 ZINC001445429084 1091185429 /nfs/dbraw/zinc/18/54/29/1091185429.db2.gz MMNIKKFWLHRHTO-SJLPKXTDSA-N 2 0 332.492 2.106 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cnccc2C)C1 ZINC001438689452 1091191488 /nfs/dbraw/zinc/19/14/88/1091191488.db2.gz ZIYKSJAHDPJFID-ROUUACIJSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445606689 1091401618 /nfs/dbraw/zinc/40/16/18/1091401618.db2.gz RJBHXJGCDGKVDJ-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1cccs1 ZINC001438819611 1091436635 /nfs/dbraw/zinc/43/66/35/1091436635.db2.gz ZRSZUJUFGHBLLB-ZWKOTPCHSA-N 2 0 349.544 2.363 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438833000 1091455212 /nfs/dbraw/zinc/45/52/12/1091455212.db2.gz FKNAGKRVVGKZID-SJLPKXTDSA-N 2 0 349.523 2.036 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1nc2ccccc2o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439168275 1091815708 /nfs/dbraw/zinc/81/57/08/1091815708.db2.gz RIGMVJVYZNDJRL-ZIAGYGMSSA-N 2 0 342.443 2.079 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(C)n1 ZINC001445893972 1091821628 /nfs/dbraw/zinc/82/16/28/1091821628.db2.gz IJFKTUOKEHOIKL-RTBURBONSA-N 2 0 346.519 2.415 10 0 EEAERP CCc1ccccc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001445934639 1091869227 /nfs/dbraw/zinc/86/92/27/1091869227.db2.gz ILTGLDHHUQUPHO-MOPGFXCFSA-N 2 0 329.488 2.328 10 0 EEAERP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1cc(F)ccc1F ZINC001445966850 1091920740 /nfs/dbraw/zinc/92/07/40/1091920740.db2.gz JZIQFOULMSGCIZ-YVEFUNNKSA-N 2 0 339.430 2.462 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CC3(CCC3)C2)C2CC2)CC1 ZINC001445973644 1091929449 /nfs/dbraw/zinc/92/94/49/1091929449.db2.gz ZNGPFKMBJAHGJI-SFHVURJKSA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cnccc1C ZINC001446008014 1091988299 /nfs/dbraw/zinc/98/82/99/1091988299.db2.gz HYSPPGFSOWKUPF-FUHWJXTLSA-N 2 0 332.492 2.058 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ocnc2C)C2CC2)C1 ZINC001439475066 1092270846 /nfs/dbraw/zinc/27/08/46/1092270846.db2.gz VDNOMMQGCZAIAD-IRXDYDNUSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)(C(=O)NCC1([NH2+]CCc2cccs2)CC1)[NH+]1CCCC1 ZINC001446223812 1092326579 /nfs/dbraw/zinc/32/65/79/1092326579.db2.gz MYLVPIIHBYXEBX-UHFFFAOYSA-N 2 0 335.517 2.403 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC001446268899 1092416607 /nfs/dbraw/zinc/41/66/07/1092416607.db2.gz VBPIKIONMLSVIX-PBHICJAKSA-N 2 0 348.466 2.080 10 0 EEAERP CO[C@H](C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1)C1CCC1 ZINC001439803427 1092760045 /nfs/dbraw/zinc/76/00/45/1092760045.db2.gz HDLWZMHKLVYUQN-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cnc(C)s2)C1 ZINC001439899297 1092959732 /nfs/dbraw/zinc/95/97/32/1092959732.db2.gz CHPRZNZSJLNBJN-QGZVFWFLSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185803 1093245565 /nfs/dbraw/zinc/24/55/65/1093245565.db2.gz FHMFRFHYHLZXQE-RTBURBONSA-N 2 0 344.503 2.297 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C/C=C\Cl)CC1 ZINC001440195170 1093263558 /nfs/dbraw/zinc/26/35/58/1093263558.db2.gz QFYXQBSSXNSPMR-IBPQLYTASA-N 2 0 325.884 2.146 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001440196295 1093265500 /nfs/dbraw/zinc/26/55/00/1093265500.db2.gz UDPSWKVPPJXHTQ-QZTJIDSGSA-N 2 0 348.491 2.144 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001440246732 1093337643 /nfs/dbraw/zinc/33/76/43/1093337643.db2.gz DHQPAASRPKXIBV-HZPDHXFCSA-N 2 0 343.462 2.440 10 0 EEAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001440288772 1093411736 /nfs/dbraw/zinc/41/17/36/1093411736.db2.gz KPIDTJMXASSLJL-OAGGEKHMSA-N 2 0 341.459 2.411 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001440313463 1093445559 /nfs/dbraw/zinc/44/55/59/1093445559.db2.gz MHSFQRMYKGAYAA-SOUVJXGZSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CCC2)c1 ZINC001440357325 1093514075 /nfs/dbraw/zinc/51/40/75/1093514075.db2.gz SCFOUWYDNCAFBY-CALCHBBNSA-N 2 0 344.503 2.391 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)cn1 ZINC001448535425 1093572756 /nfs/dbraw/zinc/57/27/56/1093572756.db2.gz NTWCAUFNXFLRFM-INIZCTEOSA-N 2 0 347.507 2.111 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001440414133 1093607941 /nfs/dbraw/zinc/60/79/41/1093607941.db2.gz VHKVLIYCZKCGPG-LZWOXQAQSA-N 2 0 347.425 2.299 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001448595365 1093655108 /nfs/dbraw/zinc/65/51/08/1093655108.db2.gz MACDQTRUAGOGQA-SJORKVTESA-N 2 0 348.491 2.184 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cncs2)[C@@H]1CC ZINC001440447568 1093659531 /nfs/dbraw/zinc/65/95/31/1093659531.db2.gz FRFUIUKQPYTTEZ-JKSUJKDBSA-N 2 0 338.521 2.344 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@H]1CCCCO1 ZINC001440461166 1093681015 /nfs/dbraw/zinc/68/10/15/1093681015.db2.gz JYHVRHACBAJZQI-IXDOHACOSA-N 2 0 337.508 2.009 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOC)CC(C)(C)C1)[NH+](CC)CC ZINC001440527952 1093782354 /nfs/dbraw/zinc/78/23/54/1093782354.db2.gz BSFXIPFKZGMDPF-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001440664040 1093931272 /nfs/dbraw/zinc/93/12/72/1093931272.db2.gz FDZKZLDRQYKWNY-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001440668778 1093932873 /nfs/dbraw/zinc/93/28/73/1093932873.db2.gz QSSHDWXGDDBCJY-UONOGXRCSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)co1 ZINC001440671737 1093934857 /nfs/dbraw/zinc/93/48/57/1093934857.db2.gz UPUXVNHDZHLJHR-LSDHHAIUSA-N 2 0 336.480 2.232 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2nsnc21 ZINC001440826594 1094080155 /nfs/dbraw/zinc/08/01/55/1094080155.db2.gz BXMLIDQOQLPBAT-STQMWFEESA-N 2 0 349.504 2.016 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001449077386 1094091117 /nfs/dbraw/zinc/09/11/17/1094091117.db2.gz KRYMKJCQDBSQLT-OLZOCXBDSA-N 2 0 335.414 2.250 10 0 EEAERP Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)c(C)s1 ZINC001440882341 1094140840 /nfs/dbraw/zinc/14/08/40/1094140840.db2.gz MQGYMKPUJBYVJH-UHFFFAOYSA-N 2 0 340.537 2.286 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]Cc2ccns2)C(C)(C)C)C1 ZINC001449320316 1094273700 /nfs/dbraw/zinc/27/37/00/1094273700.db2.gz BPXDSSUJNJFQDO-DZGCQCFKSA-N 2 0 338.521 2.105 10 0 EEAERP Cc1ccc(C)c(OCC[NH+](C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001441011240 1094286409 /nfs/dbraw/zinc/28/64/09/1094286409.db2.gz LOJSBXUTHKFTIL-MSOLQXFVSA-N 2 0 347.503 2.070 10 0 EEAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001441167244 1094518109 /nfs/dbraw/zinc/51/81/09/1094518109.db2.gz NVFONNHOYGLMMZ-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC001441194365 1094553932 /nfs/dbraw/zinc/55/39/32/1094553932.db2.gz NFMWZTSSKRHPBE-FSPWUOQZSA-N 2 0 333.451 2.150 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001441256190 1094652705 /nfs/dbraw/zinc/65/27/05/1094652705.db2.gz NXPNXOWFEPKZAF-IBGZPJMESA-N 2 0 343.515 2.454 10 0 EEAERP CC(C)(C(=O)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12)[NH+]1CCCCC1 ZINC001441262504 1094669337 /nfs/dbraw/zinc/66/93/37/1094669337.db2.gz CTBYZHZXCLWKMG-IDJWZOPNSA-N 2 0 339.911 2.297 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)n2)C1)[NH+](CC)CC ZINC001441503554 1095187149 /nfs/dbraw/zinc/18/71/49/1095187149.db2.gz FBKDGIKSUCISQN-LZWOXQAQSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001441551307 1095281901 /nfs/dbraw/zinc/28/19/01/1095281901.db2.gz XXORIWPAIVHMDC-PBHICJAKSA-N 2 0 336.480 2.040 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001441661889 1095629349 /nfs/dbraw/zinc/62/93/49/1095629349.db2.gz SWZMHWVVKOKHQZ-KRWDZBQOSA-N 2 0 331.504 2.324 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]21)c1ccccc1 ZINC001441729947 1095711641 /nfs/dbraw/zinc/71/16/41/1095711641.db2.gz RFTWKJPQLPQIJI-GYFISPQKSA-N 2 0 347.478 2.474 10 0 EEAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001441744281 1095734786 /nfs/dbraw/zinc/73/47/86/1095734786.db2.gz XIMMZRMZTYXIAU-OFLPRAFFSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCc1c(F)cccc1F ZINC001441850744 1095937227 /nfs/dbraw/zinc/93/72/27/1095937227.db2.gz IUTWEUBECPVLPV-CXAGYDPISA-N 2 0 339.430 2.086 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056072 1096268788 /nfs/dbraw/zinc/26/87/88/1096268788.db2.gz ASQZMPFTVWPMOK-WBVHZDCISA-N 2 0 349.523 2.107 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001442126010 1096362845 /nfs/dbraw/zinc/36/28/45/1096362845.db2.gz MFLGNCJPUGDQBQ-UHFFFAOYSA-N 2 0 344.503 2.155 10 0 EEAERP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001442263331 1096567276 /nfs/dbraw/zinc/56/72/76/1096567276.db2.gz XPEBWGHXQOTFFX-ABHNRTSZSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001442340648 1096663694 /nfs/dbraw/zinc/66/36/94/1096663694.db2.gz SOEUFBYNMPWSOY-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001442913700 1097320552 /nfs/dbraw/zinc/32/05/52/1097320552.db2.gz YSCXFHNYBFNWEM-INIZCTEOSA-N 2 0 335.467 2.412 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001443080190 1097494378 /nfs/dbraw/zinc/49/43/78/1097494378.db2.gz POBNFWXEADIRNA-HNNXBMFYSA-N 2 0 333.476 2.146 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001443266594 1097746626 /nfs/dbraw/zinc/74/66/26/1097746626.db2.gz GVTNDMOMDXMRSY-WMZOPIPTSA-N 2 0 347.478 2.414 10 0 EEAERP C[C@H](F)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001443334050 1097842930 /nfs/dbraw/zinc/84/29/30/1097842930.db2.gz KOLKPFDHQOTGEF-ZMSDIMECSA-N 2 0 327.488 2.245 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)s1 ZINC001444081881 1098610408 /nfs/dbraw/zinc/61/04/08/1098610408.db2.gz WFBVNMMZJDPTPS-UHFFFAOYSA-N 2 0 338.521 2.312 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)Cc1ccc(F)cn1 ZINC001479777655 1098958755 /nfs/dbraw/zinc/95/87/55/1098958755.db2.gz AEDXSTIRXWYNOM-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001444382601 1098967954 /nfs/dbraw/zinc/96/79/54/1098967954.db2.gz CPSGGWGSUQQCGJ-KSSFIOAISA-N 2 0 345.462 2.251 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001444713770 1099574847 /nfs/dbraw/zinc/57/48/47/1099574847.db2.gz RYSSTTQHCABIQO-MRXNPFEDSA-N 2 0 344.503 2.237 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001480084179 1099635781 /nfs/dbraw/zinc/63/57/81/1099635781.db2.gz JIVTZGBBOAQRQX-SFHVURJKSA-N 2 0 346.519 2.321 10 0 EEAERP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1)c1cnccn1 ZINC001444788973 1099700108 /nfs/dbraw/zinc/70/01/08/1099700108.db2.gz OGWPZDIIFYSIDH-QAPCUYQASA-N 2 0 347.507 2.144 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480143065 1099710156 /nfs/dbraw/zinc/71/01/56/1099710156.db2.gz XSYFZRMHJHEKLJ-BXWFABGCSA-N 2 0 349.519 2.199 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CC2)C1)[NH+](C)C ZINC001480224028 1099842044 /nfs/dbraw/zinc/84/20/44/1099842044.db2.gz NBXUZDYBMBTKMS-JZXOWHBKSA-N 2 0 345.487 2.305 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001480303007 1100022197 /nfs/dbraw/zinc/02/21/97/1100022197.db2.gz BHMUBOFMYABYTJ-CYBMUJFWSA-N 2 0 334.291 2.229 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001444938697 1100048656 /nfs/dbraw/zinc/04/86/56/1100048656.db2.gz YPLJEPSXZFBOQY-SFHVURJKSA-N 2 0 335.467 2.460 10 0 EEAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480350549 1100119093 /nfs/dbraw/zinc/11/90/93/1100119093.db2.gz WYKKFEBXQARBJS-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCOCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001480359669 1100132787 /nfs/dbraw/zinc/13/27/87/1100132787.db2.gz OSIJEXMXKKCRGD-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCCCCF)CC2)C1 ZINC001480407653 1100222889 /nfs/dbraw/zinc/22/28/89/1100222889.db2.gz BKXITCVNUTYVFH-KLAILNCOSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H](CC(=O)NC1CCC([NH2+]Cc2ccon2)CC1)n1ccnc1 ZINC001480408214 1100224407 /nfs/dbraw/zinc/22/44/07/1100224407.db2.gz KCAWIGHFLPHPTJ-NFOMZHRRSA-N 2 0 331.420 2.039 10 0 EEAERP CCCOc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001480590159 1100439619 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2.232 10 0 EEAERP C[N@H+](CCF)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001496504274 1101100481 /nfs/dbraw/zinc/10/04/81/1101100481.db2.gz LBSLDRAQBCFHGT-UHFFFAOYSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1 ZINC001495425887 1101143493 /nfs/dbraw/zinc/14/34/93/1101143493.db2.gz NTTMDKMTJFUBCC-UHFFFAOYSA-N 2 0 332.492 2.142 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cnc(C)cn2)CC1 ZINC001495473364 1101184324 /nfs/dbraw/zinc/18/43/24/1101184324.db2.gz HRXAELBNSDBNQV-BRWVUGGUSA-N 2 0 347.507 2.205 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001495517174 1101229974 /nfs/dbraw/zinc/22/99/74/1101229974.db2.gz JERAZYRROYCGHX-ZWKOTPCHSA-N 2 0 339.499 2.295 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001495592837 1101296215 /nfs/dbraw/zinc/29/62/15/1101296215.db2.gz LYHSWWJRVDBVHA-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)CCC1(F)F ZINC001446726999 1101300026 /nfs/dbraw/zinc/30/00/26/1101300026.db2.gz OWCBZQGDKBYWBO-CQSZACIVSA-N 2 0 345.459 2.273 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001495729711 1101494502 /nfs/dbraw/zinc/49/45/02/1101494502.db2.gz FERFYACRSHEPAH-KRWDZBQOSA-N 2 0 347.503 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC001447034088 1101794489 /nfs/dbraw/zinc/79/44/89/1101794489.db2.gz CRAPQLCUWNGYID-HOTGVXAUSA-N 2 0 343.462 2.439 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c(C)o1 ZINC001447089744 1101968408 /nfs/dbraw/zinc/96/84/08/1101968408.db2.gz GIHZFVDLGAUCBX-WKILWMFISA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496192362 1102197310 /nfs/dbraw/zinc/19/73/10/1102197310.db2.gz CBYHCFJGJNMMEO-GOSISDBHSA-N 2 0 347.503 2.234 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001497303150 1102284297 /nfs/dbraw/zinc/28/42/97/1102284297.db2.gz FRWDQNKOZNEVCM-WBVHZDCISA-N 2 0 333.476 2.021 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CCC2)cc1F ZINC001447250593 1102297456 /nfs/dbraw/zinc/29/74/56/1102297456.db2.gz NQDBHQPWZQMEKE-UHFFFAOYSA-N 2 0 345.462 2.358 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001447313465 1102431639 /nfs/dbraw/zinc/43/16/39/1102431639.db2.gz XNQPRFMNQCSYDK-DLBZAZTESA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)CC[C@H]2CCC[NH+]2C)o1 ZINC001447335777 1102471731 /nfs/dbraw/zinc/47/17/31/1102471731.db2.gz JAPBPLZQLSWQDH-MRXNPFEDSA-N 2 0 336.480 2.138 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497486790 1102566702 /nfs/dbraw/zinc/56/67/02/1102566702.db2.gz UGKXNXWGJIXBIZ-CABCVRRESA-N 2 0 333.467 2.446 10 0 EEAERP CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001447412341 1102610998 /nfs/dbraw/zinc/61/09/98/1102610998.db2.gz XQTJVPSJCSEGHW-ARFHVFGLSA-N 2 0 327.488 2.436 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001447440927 1102659040 /nfs/dbraw/zinc/65/90/40/1102659040.db2.gz PMGKGCXTYLPTLY-FUHWJXTLSA-N 2 0 345.478 2.340 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001497585713 1102703651 /nfs/dbraw/zinc/70/36/51/1102703651.db2.gz NCRXKLQLADMDHI-YLHQVPDFSA-N 2 0 329.435 2.024 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cncs1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497600191 1102728225 /nfs/dbraw/zinc/72/82/25/1102728225.db2.gz ZGYOZUYXYGFIAZ-IDOMTICXSA-N 2 0 348.516 2.312 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001497601956 1102731622 /nfs/dbraw/zinc/73/16/22/1102731622.db2.gz VARMBXXMVPXFRT-DDKKJVIOSA-N 2 0 330.476 2.026 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001497620873 1102762816 /nfs/dbraw/zinc/76/28/16/1102762816.db2.gz MIOPXKFNTZVOMM-QDLOVBKTSA-N 2 0 343.462 2.414 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1OC1CC1 ZINC001497651014 1102825434 /nfs/dbraw/zinc/82/54/34/1102825434.db2.gz UEBBSEZWCVWFIF-SHCNBLLESA-N 2 0 343.471 2.084 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]C/C=C\c2ccccc2)C1 ZINC001497733633 1102984034 /nfs/dbraw/zinc/98/40/34/1102984034.db2.gz ZFVOSCOJOJFVRB-NMWSDBEUSA-N 2 0 327.472 2.304 10 0 EEAERP Cc1ccc(CC[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001447632343 1103001324 /nfs/dbraw/zinc/00/13/24/1103001324.db2.gz JNYWGZYHCWPQSP-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnc(C)s1 ZINC001497762249 1103053390 /nfs/dbraw/zinc/05/33/90/1103053390.db2.gz GGAISJNWSYVUPX-JFDDCEBESA-N 2 0 336.505 2.088 10 0 EEAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001447870396 1103482098 /nfs/dbraw/zinc/48/20/98/1103482098.db2.gz AFFHWOAKTQIEND-OLZOCXBDSA-N 2 0 335.414 2.298 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCCOC)C1 ZINC001494178097 1103651528 /nfs/dbraw/zinc/65/15/28/1103651528.db2.gz GNYSCNBZTAXKCW-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cscn1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001447977236 1103719840 /nfs/dbraw/zinc/71/98/40/1103719840.db2.gz LLZGKQWJBPEPOZ-UHFFFAOYSA-N 2 0 349.504 2.418 10 0 EEAERP Cc1cccnc1C[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001448310399 1104364285 /nfs/dbraw/zinc/36/42/85/1104364285.db2.gz AJEPXLOWWOORBK-AEFFLSMTSA-N 2 0 344.503 2.201 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001494986376 1104630733 /nfs/dbraw/zinc/63/07/33/1104630733.db2.gz SQYPYOQFFYTGJL-LSDHHAIUSA-N 2 0 331.451 2.389 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001495058311 1104695324 /nfs/dbraw/zinc/69/53/24/1104695324.db2.gz NSRNLXTUACHTFB-YJBOKZPZSA-N 2 0 349.523 2.099 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)C1)[NH+](C)C ZINC001480623850 1106784628 /nfs/dbraw/zinc/78/46/28/1106784628.db2.gz RNYCYXNAZQZRRQ-PKOBYXMFSA-N 2 0 347.503 2.232 10 0 EEAERP C[C@@H](C[NH2+]CCCc1c(F)cccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498023501 1106793796 /nfs/dbraw/zinc/79/37/96/1106793796.db2.gz MHRHBFPIQPTEJL-GUYCJALGSA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Br)s1)NC(=O)CC[NH+](C)C ZINC001498108186 1106932308 /nfs/dbraw/zinc/93/23/08/1106932308.db2.gz CGJPJQYAUPIZED-JTQLQIEISA-N 2 0 348.310 2.057 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nsc2ccccc12 ZINC001480790318 1107122162 /nfs/dbraw/zinc/12/21/62/1107122162.db2.gz NLXKFSKLJFAGKR-CYBMUJFWSA-N 2 0 334.489 2.232 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C)c(C)n1 ZINC001498318189 1107282588 /nfs/dbraw/zinc/28/25/88/1107282588.db2.gz MXXIDXQINNKFFF-MAUKXSAKSA-N 2 0 332.492 2.119 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001498492764 1107629598 /nfs/dbraw/zinc/62/95/98/1107629598.db2.gz WBRFZIFSTXLYOG-PKOBYXMFSA-N 2 0 347.503 2.412 10 0 EEAERP O=C(N[C@H](C[NH2+]CCCc1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001498856966 1108230612 /nfs/dbraw/zinc/23/06/12/1108230612.db2.gz GMSQLGNCIGHAQL-LJQANCHMSA-N 2 0 341.499 2.199 10 0 EEAERP CN(CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccn1 ZINC001455150634 1108258597 /nfs/dbraw/zinc/25/85/97/1108258597.db2.gz SJHMXZMLAFVIPT-GOSISDBHSA-N 2 0 336.455 2.237 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cnccc1C)C1CC1 ZINC001498878247 1108266416 /nfs/dbraw/zinc/26/64/16/1108266416.db2.gz ZPRGWPNFFBVJEK-RBUKOAKNSA-N 2 0 344.503 2.249 10 0 EEAERP CC[N@H+](CCCNC(=O)NCCNc1cc[nH+]cc1)C1CCCCC1 ZINC001470713894 1110510950 /nfs/dbraw/zinc/51/09/50/1110510950.db2.gz LNMFOIGZIVXEIZ-UHFFFAOYSA-N 2 0 347.507 2.259 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001479349213 1110684775 /nfs/dbraw/zinc/68/47/75/1110684775.db2.gz YUSCOSYRSWKFQZ-AKAXFMLLSA-N 2 0 339.430 2.289 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC001499421745 1112278899 /nfs/dbraw/zinc/27/88/99/1112278899.db2.gz PMZBQBOBZYHJIG-RDJZCZTQSA-N 2 0 348.466 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1112911815 /nfs/dbraw/zinc/91/18/15/1112911815.db2.gz XLCHBCDXHQAKBE-QGZVFWFLSA-N 2 0 338.521 2.122 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001501013385 1113166790 /nfs/dbraw/zinc/16/67/90/1113166790.db2.gz OUBXGZMROVRYKQ-BBWFWOEESA-N 2 0 325.472 2.191 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001501392413 1113338942 /nfs/dbraw/zinc/33/89/42/1113338942.db2.gz YCDUXQDJCRCRSB-YESZJQIVSA-N 2 0 325.472 2.142 10 0 EEAERP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001501682023 1113432596 /nfs/dbraw/zinc/43/25/96/1113432596.db2.gz WEXKHISEWBAEGK-IAGOWNOFSA-N 2 0 347.503 2.330 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001501737446 1113456159 /nfs/dbraw/zinc/45/61/59/1113456159.db2.gz STOAIAQYBKVDSB-KRWDZBQOSA-N 2 0 339.499 2.391 10 0 EEAERP Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001501952059 1113534309 /nfs/dbraw/zinc/53/43/09/1113534309.db2.gz IFVOMPUMCDWJKW-LJQANCHMSA-N 2 0 341.499 2.465 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CC(F)(F)C3)CCC2)CC[N@@H+]1C ZINC001501952087 1113534345 /nfs/dbraw/zinc/53/43/45/1113534345.db2.gz JEOWWPBQLHQMIV-LSDHHAIUSA-N 2 0 343.462 2.391 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001505434165 1113967970 /nfs/dbraw/zinc/96/79/70/1113967970.db2.gz MAKSYLYFULCXSE-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP COc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001505621012 1114089445 /nfs/dbraw/zinc/08/94/45/1114089445.db2.gz BRXUAAMXAVVNJT-CVEARBPZSA-N 2 0 347.503 2.471 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001505644801 1114105788 /nfs/dbraw/zinc/10/57/88/1114105788.db2.gz IVZSFTUKIUNTRR-JKSUJKDBSA-N 2 0 345.487 2.306 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001505677319 1114125734 /nfs/dbraw/zinc/12/57/34/1114125734.db2.gz GVBRWYULTFPGID-NEPJUHHUSA-N 2 0 338.521 2.085 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505679365 1114126967 /nfs/dbraw/zinc/12/69/67/1114126967.db2.gz UPXKBSNLSFOANV-HUUCEWRRSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001505704927 1114141554 /nfs/dbraw/zinc/14/15/54/1114141554.db2.gz CKKJGWPFPXQPND-UONOGXRCSA-N 2 0 348.491 2.267 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001505725384 1114153154 /nfs/dbraw/zinc/15/31/54/1114153154.db2.gz SMDBEZLTEPBKQR-OLZOCXBDSA-N 2 0 327.419 2.289 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001505760641 1114174833 /nfs/dbraw/zinc/17/48/33/1114174833.db2.gz NPMDEECPUNHHJW-ZIAGYGMSSA-N 2 0 344.459 2.341 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001505762021 1114175243 /nfs/dbraw/zinc/17/52/43/1114175243.db2.gz XQIKGEPFKYGWHK-ZIAGYGMSSA-N 2 0 344.459 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)c2)CC1(C)C ZINC001506749494 1114862360 /nfs/dbraw/zinc/86/23/60/1114862360.db2.gz FWCOVUJVXHFBQV-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001506899551 1114959237 /nfs/dbraw/zinc/95/92/37/1114959237.db2.gz XKTVTWSBRULFOQ-LUKYLMHMSA-N 2 0 327.488 2.482 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507298125 1115179977 /nfs/dbraw/zinc/17/99/77/1115179977.db2.gz POESSAYOJYHUOZ-IAGOWNOFSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ns2)C[C@H]1C ZINC001507327083 1115194497 /nfs/dbraw/zinc/19/44/97/1115194497.db2.gz HVMXGNYMGQDONV-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001507453138 1115278208 /nfs/dbraw/zinc/27/82/08/1115278208.db2.gz BARIOUSRCTYHPS-SFHVURJKSA-N 2 0 347.503 2.232 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001507453137 1115278380 /nfs/dbraw/zinc/27/83/80/1115278380.db2.gz BARIOUSRCTYHPS-GOSISDBHSA-N 2 0 347.503 2.232 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCOC1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001507807698 1115349859 /nfs/dbraw/zinc/34/98/59/1115349859.db2.gz BAINQASYYVWYNN-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)COCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001508016220 1115389132 /nfs/dbraw/zinc/38/91/32/1115389132.db2.gz OLRHMELHOCPDMQ-KRWDZBQOSA-N 2 0 341.540 2.121 10 0 EEAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001508156201 1115429812 /nfs/dbraw/zinc/42/98/12/1115429812.db2.gz WELLBRJKLMDZDV-ABHNRTSZSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001508222425 1115450544 /nfs/dbraw/zinc/45/05/44/1115450544.db2.gz LLSMSSJSUAOEDB-LPHOPBHVSA-N 2 0 349.519 2.034 10 0 EEAERP CC(C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CC[N@@H+](C)C(C)C ZINC001509022366 1115716811 /nfs/dbraw/zinc/71/68/11/1115716811.db2.gz NLMKTGSTJDUARR-QGZVFWFLSA-N 2 0 348.539 2.416 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C)n2CC[NH+]2CC=CCC2)C1 ZINC001514617744 1118808237 /nfs/dbraw/zinc/80/82/37/1118808237.db2.gz QBEYHYBQDBHUDF-SFHVURJKSA-N 2 0 346.523 2.017 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCOC(C)(C)C ZINC001542691488 1124115421 /nfs/dbraw/zinc/11/54/21/1124115421.db2.gz BQILGAHDDCSGFW-KRWDZBQOSA-N 2 0 341.540 2.456 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914881 1124176530 /nfs/dbraw/zinc/17/65/30/1124176530.db2.gz HEIHTEGYKHKKLX-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001568065615 1124270894 /nfs/dbraw/zinc/27/08/94/1124270894.db2.gz CLRVVQDRTLNZPQ-KHSJVXASSA-N 2 0 327.900 2.299 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001568088883 1124292513 /nfs/dbraw/zinc/29/25/13/1124292513.db2.gz FSXGIHNGQKTWOP-SGNXQUTQSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001568400456 1124469896 /nfs/dbraw/zinc/46/98/96/1124469896.db2.gz KPPONRFLDHZQDR-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568630493 1124645183 /nfs/dbraw/zinc/64/51/83/1124645183.db2.gz DYKLACMRYCOQLZ-AEFFLSMTSA-N 2 0 332.492 2.247 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1 ZINC001568651528 1124662484 /nfs/dbraw/zinc/66/24/84/1124662484.db2.gz SISJNFFJIYCPGR-AEFFLSMTSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)C[NH+]1CCCC1 ZINC001568710528 1124727703 /nfs/dbraw/zinc/72/77/03/1124727703.db2.gz NNEAMIXIBNFKLF-AWEZNQCLSA-N 2 0 336.480 2.052 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568741519 1124755409 /nfs/dbraw/zinc/75/54/09/1124755409.db2.gz AOGZWCNFBMZZRQ-GOSISDBHSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]C/C=C\c1ccccc1 ZINC001568902737 1124929998 /nfs/dbraw/zinc/92/99/98/1124929998.db2.gz OKXUESJLKHYIIH-GHBKPTTBSA-N 2 0 327.472 2.446 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001568951525 1124985535 /nfs/dbraw/zinc/98/55/35/1124985535.db2.gz PDSULUXGVVENMH-ARJAWSKDSA-N 2 0 327.472 2.161 10 0 EEAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247048 1125192394 /nfs/dbraw/zinc/19/23/94/1125192394.db2.gz AEFZGCDFWPJHSU-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001569338814 1125239719 /nfs/dbraw/zinc/23/97/19/1125239719.db2.gz REPBHOGYDXVASF-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1OCC[C@@H]1CCC[N@@H+]1C ZINC000051549455 214097518 /nfs/dbraw/zinc/09/75/18/214097518.db2.gz KTGYWQDTENTQKY-ZDUSSCGKSA-N 2 0 328.254 2.427 10 0 EEAERP CN(CC[NH2+]CCC[NH+](C)C)Cc1cccc(Br)c1 ZINC000053437513 214182864 /nfs/dbraw/zinc/18/28/64/214182864.db2.gz IHOZDJFPDIONGW-UHFFFAOYSA-N 2 0 328.298 2.422 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174553068 282250790 /nfs/dbraw/zinc/25/07/90/282250790.db2.gz JHKUGQJJABAMSE-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000085393893 299182420 /nfs/dbraw/zinc/18/24/20/299182420.db2.gz RUWNBTVDSITQQS-FUHWJXTLSA-N 2 0 348.535 2.435 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000069349906 215383782 /nfs/dbraw/zinc/38/37/82/215383782.db2.gz VOHAVAFVSXTLDX-MRXNPFEDSA-N 2 0 328.460 2.055 10 0 EEAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423202446 283009234 /nfs/dbraw/zinc/00/92/34/283009234.db2.gz KTCBKSRGCYJLNM-AWEZNQCLSA-N 2 0 342.256 2.070 10 0 EEAERP c1ccc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000422909106 240287253 /nfs/dbraw/zinc/28/72/53/240287253.db2.gz ZXHNQEYCAYDIAF-RTWAWAEBSA-N 2 0 343.515 2.255 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423065582 240347596 /nfs/dbraw/zinc/34/75/96/240347596.db2.gz UWTUDJOPHRSGJL-HKBOAZHASA-N 2 0 343.515 2.254 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000422973860 240314649 /nfs/dbraw/zinc/31/46/49/240314649.db2.gz PSZCDJLUHJHWAW-NSHDSACASA-N 2 0 345.237 2.021 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)c2sccc2C)CC[NH2+]CC1 ZINC000422988953 240317728 /nfs/dbraw/zinc/31/77/28/240317728.db2.gz JZVYBZGPEVJJFZ-UONOGXRCSA-N 2 0 340.489 2.001 10 0 EEAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2n(n1)CCC2 ZINC000414094573 296118622 /nfs/dbraw/zinc/11/86/22/296118622.db2.gz GJVIZNMISGPNON-QGZVFWFLSA-N 2 0 345.535 2.430 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453076518 243393370 /nfs/dbraw/zinc/39/33/70/243393370.db2.gz HYXLVNVHRATADW-QGZVFWFLSA-N 2 0 341.503 2.375 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074714368 159069254 /nfs/dbraw/zinc/06/92/54/159069254.db2.gz SKLXXYJTZFURPU-AYHJJNSGSA-N 2 0 336.524 2.423 10 0 EEAERP COc1c(C)cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1C ZINC000092615642 159224214 /nfs/dbraw/zinc/22/42/14/159224214.db2.gz ADYMOVKILKZGIL-UHFFFAOYSA-N 2 0 347.503 2.202 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105134871 159297518 /nfs/dbraw/zinc/29/75/18/159297518.db2.gz NDEUSNNKYNTFJV-QZTJIDSGSA-N 2 0 336.524 2.378 10 0 EEAERP CCc1ccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000105862199 159310071 /nfs/dbraw/zinc/31/00/71/159310071.db2.gz YHJXPMFBLWVZPS-MRXNPFEDSA-N 2 0 347.503 2.212 10 0 EEAERP CC1CC[NH+](CCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106455087 159315989 /nfs/dbraw/zinc/31/59/89/159315989.db2.gz LLJNBSOFAHRRLN-IBGZPJMESA-N 2 0 331.504 2.398 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245627494 160245265 /nfs/dbraw/zinc/24/52/65/160245265.db2.gz GVVUYEQVZYCKED-MOPGFXCFSA-N 2 0 344.503 2.415 10 0 EEAERP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247247889 160317119 /nfs/dbraw/zinc/31/71/19/160317119.db2.gz SWCOFXXNXAVTOV-IRXDYDNUSA-N 2 0 347.503 2.347 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000344220061 161208229 /nfs/dbraw/zinc/20/82/29/161208229.db2.gz HEGACDCBJRVQMV-WMZOPIPTSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000344323812 161217336 /nfs/dbraw/zinc/21/73/36/161217336.db2.gz JRPGIYTXAXLXRN-SFHVURJKSA-N 2 0 340.402 2.408 10 0 EEAERP CN(CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352030866 162038130 /nfs/dbraw/zinc/03/81/30/162038130.db2.gz XVFXWEVDFWWFAN-NRFANRHFSA-N 2 0 342.531 2.367 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000352551137 162183681 /nfs/dbraw/zinc/18/36/81/162183681.db2.gz VDNCMBSGMAOTMR-GOSISDBHSA-N 2 0 342.487 2.414 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](CC)[C@H](O)C2)CC1 ZINC000355197119 163108372 /nfs/dbraw/zinc/10/83/72/163108372.db2.gz LABRFKUIAXQLTD-YLJYHZDGSA-N 2 0 331.504 2.421 10 0 EEAERP C[C@H](CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1cccnc1 ZINC000359930289 164198260 /nfs/dbraw/zinc/19/82/60/164198260.db2.gz CEDSXJSAECTAHE-MRXNPFEDSA-N 2 0 344.503 2.250 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000368168252 166062258 /nfs/dbraw/zinc/06/22/58/166062258.db2.gz SKIOQGFGLBKHRI-HKUYNNGSSA-N 2 0 333.451 2.419 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179146824 274002940 /nfs/dbraw/zinc/00/29/40/274002940.db2.gz NTJRNJRESSAMFS-QZTJIDSGSA-N 2 0 336.524 2.377 10 0 EEAERP CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCCC2 ZINC000450970025 276490215 /nfs/dbraw/zinc/49/02/15/276490215.db2.gz MFQDZYJVZRZWCH-ROUUACIJSA-N 2 0 349.519 2.057 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246399932 277396009 /nfs/dbraw/zinc/39/60/09/277396009.db2.gz JYOPXSXLOBJBLR-KZNAEPCWSA-N 2 0 336.524 2.233 10 0 EEAERP C[C@@H](C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000247247665 278185520 /nfs/dbraw/zinc/18/55/20/278185520.db2.gz DOEGYRREQSLRHV-GJYPPUQNSA-N 2 0 329.488 2.374 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000175965361 279373570 /nfs/dbraw/zinc/37/35/70/279373570.db2.gz JUFPAQSKJBMOAE-MRXNPFEDSA-N 2 0 344.503 2.041 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000176584072 289377931 /nfs/dbraw/zinc/37/79/31/289377931.db2.gz LWZHFRIHNJUVPI-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297421735 294240141 /nfs/dbraw/zinc/24/01/41/294240141.db2.gz ZCMDWFBMMCTCDO-BZUAXINKSA-N 2 0 343.475 2.500 10 0 EEAERP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418778906 303890700 /nfs/dbraw/zinc/89/07/00/303890700.db2.gz APBWPWFQPUAAOX-XDNAFOTISA-N 2 0 334.508 2.034 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCC[NH3+])cc2)C1 ZINC000416986847 313384173 /nfs/dbraw/zinc/38/41/73/313384173.db2.gz JKIHAOSMUOFQKN-HOTGVXAUSA-N 2 0 332.492 2.313 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000417008627 313392513 /nfs/dbraw/zinc/39/25/13/313392513.db2.gz MFCHNJYJFMRRDW-CWRNSKLLSA-N 2 0 338.521 2.428 10 0 EEAERP C[C@H]1CCC[C@](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+](C)C)C1 ZINC000417220644 313454183 /nfs/dbraw/zinc/45/41/83/313454183.db2.gz YPHQHPFKMVBXGF-KEOQEEGVSA-N 2 0 336.524 2.421 10 0 EEAERP O=C(NCC[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000417301275 313477165 /nfs/dbraw/zinc/47/71/65/313477165.db2.gz YOWPMJKKOOMBOO-LJQANCHMSA-N 2 0 344.503 2.340 10 0 EEAERP C[C@@H](CCNC(=O)NCCC[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC000418023852 313691376 /nfs/dbraw/zinc/69/13/76/313691376.db2.gz SIODFKHLPWFXPX-KRWDZBQOSA-N 2 0 347.507 2.125 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418610706 313860220 /nfs/dbraw/zinc/86/02/20/313860220.db2.gz GHGUGWDPBNFWDG-QFBILLFUSA-N 2 0 344.503 2.290 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000418644839 313868714 /nfs/dbraw/zinc/86/87/14/313868714.db2.gz CQBHNJNREDMVRK-MSOLQXFVSA-N 2 0 328.460 2.122 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529298083 317567395 /nfs/dbraw/zinc/56/73/95/317567395.db2.gz KMOWQWGHRWLXKQ-OAGGEKHMSA-N 2 0 336.524 2.327 10 0 EEAERP O=C(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1F ZINC000530244222 317703835 /nfs/dbraw/zinc/70/38/35/317703835.db2.gz ZRKJQBXJSJNPHS-MRXNPFEDSA-N 2 0 349.450 2.245 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000564323294 319078041 /nfs/dbraw/zinc/07/80/41/319078041.db2.gz HVVLOKXTTOHUTQ-APWZRJJASA-N 2 0 325.460 2.492 10 0 EEAERP O=C(NCc1ccc2c[nH+]cn2c1)NC1CC([NH+]2CCCCC2)C1 ZINC000565877458 319222684 /nfs/dbraw/zinc/22/26/84/319222684.db2.gz AGQGCAHFXREUDJ-UHFFFAOYSA-N 2 0 327.432 2.150 10 0 EEAERP Cc1cccc(CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000565890017 319224239 /nfs/dbraw/zinc/22/42/39/319224239.db2.gz YYUNDMKDOGQGCI-YOFSQIOKSA-N 2 0 328.504 2.175 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CCCC34CC4)CC2)nc1 ZINC000568275795 319473969 /nfs/dbraw/zinc/47/39/69/319473969.db2.gz YOMUDASGFYJYLP-KRWDZBQOSA-N 2 0 329.492 2.301 10 0 EEAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182791897 323388020 /nfs/dbraw/zinc/38/80/20/323388020.db2.gz OXJVWWOKQDXROS-PBHICJAKSA-N 2 0 328.403 2.353 10 0 EEAERP [NH3+]C[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000579228981 323805738 /nfs/dbraw/zinc/80/57/38/323805738.db2.gz UKLLURXFZKPQRB-QRVBRYPASA-N 2 0 341.430 2.211 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Cc1ccc(F)cc1C ZINC000580952205 324157600 /nfs/dbraw/zinc/15/76/00/324157600.db2.gz NRZICTZXMKIVMU-RPVQJOFSSA-N 2 0 335.467 2.017 10 0 EEAERP CCc1cc(NCc2ccc(N3CC[NH+](CC)CC3)nc2)ncn1 ZINC000603385997 450274051 /nfs/dbraw/zinc/27/40/51/450274051.db2.gz XHTOOSDUEMPNBH-UHFFFAOYSA-N 2 0 326.448 2.188 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000113232528 462579617 /nfs/dbraw/zinc/57/96/17/462579617.db2.gz FCQPNGQVDKAHHV-QRQLOZEOSA-N 2 0 327.472 2.346 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000113599321 462605216 /nfs/dbraw/zinc/60/52/16/462605216.db2.gz KGXFVYAZJNOXEY-OLMNPRSZSA-N 2 0 348.466 2.307 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000114170635 462630200 /nfs/dbraw/zinc/63/02/00/462630200.db2.gz GNUHVNYURHYMNW-UHFFFAOYSA-N 2 0 344.503 2.044 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115845370 462731978 /nfs/dbraw/zinc/73/19/78/462731978.db2.gz NJOZHYXBKKPTHQ-RHSMWYFYSA-N 2 0 348.466 2.265 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000130784894 462775962 /nfs/dbraw/zinc/77/59/62/462775962.db2.gz AAFIUOPZLDXTTI-ILXRZTDVSA-N 2 0 338.521 2.379 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000052523474 463085487 /nfs/dbraw/zinc/08/54/87/463085487.db2.gz UCYASJPLNOBTPN-SFHVURJKSA-N 2 0 332.492 2.420 10 0 EEAERP CCOCC[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000159342873 463282089 /nfs/dbraw/zinc/28/20/89/463282089.db2.gz KZAQHYWXPGCATR-KRWDZBQOSA-N 2 0 337.483 2.300 10 0 EEAERP C[C@@H]1C[C@H](N(C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000123331147 463332665 /nfs/dbraw/zinc/33/26/65/463332665.db2.gz DNTTXOOCRUISNZ-BFYDXBDKSA-N 2 0 331.460 2.041 10 0 EEAERP C[C@H](Cc1cccc(F)c1)C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000069841804 463335050 /nfs/dbraw/zinc/33/50/50/463335050.db2.gz NDXGPSGYNOJIJS-MRXNPFEDSA-N 2 0 349.494 2.489 10 0 EEAERP Cc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000105862204 463480197 /nfs/dbraw/zinc/48/01/97/463480197.db2.gz VJQUKCYFTFOVRH-QGZVFWFLSA-N 2 0 347.503 2.267 10 0 EEAERP CN(C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H]1CCCc2ccccc21 ZINC000193650770 463724233 /nfs/dbraw/zinc/72/42/33/463724233.db2.gz HJFAUKBXTZNPQL-SCTDSRPQSA-N 2 0 327.472 2.016 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261767975 463854095 /nfs/dbraw/zinc/85/40/95/463854095.db2.gz GLHRAHJDECUDAT-MRXNPFEDSA-N 2 0 345.487 2.185 10 0 EEAERP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261929499 463903045 /nfs/dbraw/zinc/90/30/45/463903045.db2.gz LNGFCVVCWZXEJW-JFIYKMOQSA-N 2 0 328.460 2.091 10 0 EEAERP Cc1ccc(CN2CCOCC2)cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262416197 464021627 /nfs/dbraw/zinc/02/16/27/464021627.db2.gz PVTMIOKEDLBVRO-RDJZCZTQSA-N 2 0 331.460 2.154 10 0 EEAERP Clc1ccc(OCCN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178977887 464029166 /nfs/dbraw/zinc/02/91/66/464029166.db2.gz PBVFMKCHZYAAKP-UHFFFAOYSA-N 2 0 337.895 2.336 10 0 EEAERP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](C)[C@@H](c4ccccc4)[C@@H]3C2)C1=O ZINC000222083266 464126007 /nfs/dbraw/zinc/12/60/07/464126007.db2.gz AQVTVSASNWJNCQ-RDGPPVDQSA-N 2 0 327.472 2.230 10 0 EEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000284456025 464198512 /nfs/dbraw/zinc/19/85/12/464198512.db2.gz SVUPOLQJQQHLLL-NEWSRXKRSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267227 464385945 /nfs/dbraw/zinc/38/59/45/464385945.db2.gz SYZPYQUFMWIOQB-FUHWJXTLSA-N 2 0 332.492 2.243 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(C)nc3sccn3c2=O)[C@@H](C)C1 ZINC000285502248 464587672 /nfs/dbraw/zinc/58/76/72/464587672.db2.gz FEYZLXPGZICCGN-XJKSGUPXSA-N 2 0 348.516 2.269 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)C1 ZINC000246600043 464603818 /nfs/dbraw/zinc/60/38/18/464603818.db2.gz XKBVVPGPQKAPEP-GUYCJALGSA-N 2 0 336.455 2.399 10 0 EEAERP Cc1nc(CN2CCC(C(=O)N3CCC4(CC[NH2+]4)CC3)CC2)cs1 ZINC000569008291 468424178 /nfs/dbraw/zinc/42/41/78/468424178.db2.gz UDEISILYSMOWNL-UHFFFAOYSA-N 2 0 348.516 2.018 10 0 EEAERP C[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192538119 464945325 /nfs/dbraw/zinc/94/53/25/464945325.db2.gz KEUQUOVXYZSKBN-UXPWSPDFSA-N 2 0 332.488 2.447 10 0 EEAERP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC2)[C@H]1c1cccs1 ZINC000337665352 465504867 /nfs/dbraw/zinc/50/48/67/465504867.db2.gz TWDSAUBLZOFMDU-HOCLYGCPSA-N 2 0 336.505 2.136 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000298991619 465557833 /nfs/dbraw/zinc/55/78/33/465557833.db2.gz YTAVZNNLKXEGHS-UHFFFAOYSA-N 2 0 333.476 2.041 10 0 EEAERP CCn1ncnc1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000366287661 465634096 /nfs/dbraw/zinc/63/40/96/465634096.db2.gz UEMVWHAWOZLIPV-FGTMMUONSA-N 2 0 325.460 2.298 10 0 EEAERP COc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534768 465787810 /nfs/dbraw/zinc/78/78/10/465787810.db2.gz LVSVGTXNGZNVID-KUHUBIRLSA-N 2 0 347.459 2.058 10 0 EEAERP O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000591373682 468462276 /nfs/dbraw/zinc/46/22/76/468462276.db2.gz HTAOBBKICBKZSO-IBGZPJMESA-N 2 0 343.471 2.272 10 0 EEAERP Cn1c(Cl)cnc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366930887 466022644 /nfs/dbraw/zinc/02/26/44/466022644.db2.gz WGBJNQFAOVWWDI-UHFFFAOYSA-N 2 0 339.915 2.113 10 0 EEAERP CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361851499 466349059 /nfs/dbraw/zinc/34/90/59/466349059.db2.gz WRVWQXGMQPANRF-SFHVURJKSA-N 2 0 334.508 2.272 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000361980048 466455740 /nfs/dbraw/zinc/45/57/40/466455740.db2.gz GGQCLOCNFCVYGH-HOJAQTOUSA-N 2 0 332.488 2.276 10 0 EEAERP CN(C)CC(=O)Nc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000354328100 466478430 /nfs/dbraw/zinc/47/84/30/466478430.db2.gz AYXDFUUSRVSTCD-QGZVFWFLSA-N 2 0 346.475 2.390 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000341004407 466505914 /nfs/dbraw/zinc/50/59/14/466505914.db2.gz BDKVUBAEFIOUOT-CYBMUJFWSA-N 2 0 349.450 2.228 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000358181225 466519614 /nfs/dbraw/zinc/51/96/14/466519614.db2.gz CKRQHXKYQIDKAN-SFHVURJKSA-N 2 0 330.476 2.241 10 0 EEAERP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000362107781 466562980 /nfs/dbraw/zinc/56/29/80/466562980.db2.gz XMJVVCYPCICDPC-MRXNPFEDSA-N 2 0 337.445 2.116 10 0 EEAERP CCC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccn1 ZINC000423391422 466736691 /nfs/dbraw/zinc/73/66/91/466736691.db2.gz PKGKQVUAFJOQRQ-ZFWWWQNUSA-N 2 0 330.398 2.349 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000423494965 466758184 /nfs/dbraw/zinc/75/81/84/466758184.db2.gz SYTNVQHBKKXZNN-XLIONFOSSA-N 2 0 331.504 2.050 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417037743 466761324 /nfs/dbraw/zinc/76/13/24/466761324.db2.gz ILKICLJMGPCJPE-KURKYZTESA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417042947 466763615 /nfs/dbraw/zinc/76/36/15/466763615.db2.gz WWGNFFYLWVMOAO-LMMKCTJWSA-N 2 0 336.524 2.140 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375089957 466801448 /nfs/dbraw/zinc/80/14/48/466801448.db2.gz JVXRILGISQKIGB-MRXNPFEDSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411421788 466825149 /nfs/dbraw/zinc/82/51/49/466825149.db2.gz WECIOGRGGVFJGO-NVXWUHKLSA-N 2 0 339.549 2.195 10 0 EEAERP [NH3+][C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792485 466936701 /nfs/dbraw/zinc/93/67/01/466936701.db2.gz KOAOOJFNTUHWFS-ROUUACIJSA-N 2 0 330.476 2.250 10 0 EEAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccnc3N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424262087 467015318 /nfs/dbraw/zinc/01/53/18/467015318.db2.gz DCMXYVJGXMWDNF-MKQMEDFFSA-N 2 0 344.503 2.127 10 0 EEAERP C[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625614 467099022 /nfs/dbraw/zinc/09/90/22/467099022.db2.gz LDPXKHDFRGKAHS-SFHVURJKSA-N 2 0 327.476 2.163 10 0 EEAERP C[C@H]1C[N@H+](CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CCCO1 ZINC000427430520 467157880 /nfs/dbraw/zinc/15/78/80/467157880.db2.gz CKEDRRPLVXXSOA-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000420314136 467350945 /nfs/dbraw/zinc/35/09/45/467350945.db2.gz YVKMPNBAWAVEHW-MSOLQXFVSA-N 2 0 345.487 2.072 10 0 EEAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390959786 467417802 /nfs/dbraw/zinc/41/78/02/467417802.db2.gz YDPRJGAYNDTYPX-IPFAQRCESA-N 2 0 327.472 2.296 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690242 467429406 /nfs/dbraw/zinc/42/94/06/467429406.db2.gz HLYSPYIRNIBPLJ-HOCLYGCPSA-N 2 0 335.879 2.327 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000414707470 467430658 /nfs/dbraw/zinc/43/06/58/467430658.db2.gz PQJYBWLZFBCDPO-FUHWJXTLSA-N 2 0 333.451 2.030 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059039 467478106 /nfs/dbraw/zinc/47/81/06/467478106.db2.gz WLVWWKHIUZUCSP-FUHWJXTLSA-N 2 0 332.444 2.202 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449672802 467685110 /nfs/dbraw/zinc/68/51/10/467685110.db2.gz NHORVZKDHVVIEL-WFASDCNBSA-N 2 0 340.349 2.321 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528716732 467736220 /nfs/dbraw/zinc/73/62/20/467736220.db2.gz WFHIPJOKDFZIRH-AWEZNQCLSA-N 2 0 332.448 2.165 10 0 EEAERP Cc1cncn1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528737286 467743547 /nfs/dbraw/zinc/74/35/47/467743547.db2.gz QSPOYVQWEKTPLX-GOSISDBHSA-N 2 0 326.444 2.315 10 0 EEAERP CCc1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000450244574 467807497 /nfs/dbraw/zinc/80/74/97/467807497.db2.gz NDPJKEJNSHRTEP-JWTNVVGKSA-N 2 0 342.487 2.027 10 0 EEAERP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000529353791 467851394 /nfs/dbraw/zinc/85/13/94/467851394.db2.gz ARLPTADJNRJURF-KRWDZBQOSA-N 2 0 334.508 2.179 10 0 EEAERP C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000493764092 467978972 /nfs/dbraw/zinc/97/89/72/467978972.db2.gz FMWUCIIHOOWPCS-KKXNLOMOSA-N 2 0 331.504 2.207 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000515223333 467980918 /nfs/dbraw/zinc/98/09/18/467980918.db2.gz NVSYBGRXEGQBRC-CAMMJAKZSA-N 2 0 344.503 2.496 10 0 EEAERP [NH3+]CCCCC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000515350521 467987114 /nfs/dbraw/zinc/98/71/14/467987114.db2.gz QAIPYWXPFVBAEC-ZDUSSCGKSA-N 2 0 325.403 2.174 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000594585198 468627501 /nfs/dbraw/zinc/62/75/01/468627501.db2.gz VCSYMTXLSCDVQB-HRCADAONSA-N 2 0 326.481 2.245 10 0 EEAERP [NH3+][C@@H](CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000583623097 468729408 /nfs/dbraw/zinc/72/94/08/468729408.db2.gz QUBCQQIWLMZBMK-JKSUJKDBSA-N 2 0 333.501 2.346 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000583865909 468766771 /nfs/dbraw/zinc/76/67/71/468766771.db2.gz SEEROLUXGSRDIX-HRYJEPKJSA-N 2 0 347.503 2.460 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000571538479 468804129 /nfs/dbraw/zinc/80/41/29/468804129.db2.gz AGBUPHBVDQSXAG-BDXSIMOUSA-N 2 0 330.476 2.249 10 0 EEAERP CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000595723905 468970298 /nfs/dbraw/zinc/97/02/98/468970298.db2.gz USUDZRVKWHITDZ-VQIMIIECSA-N 2 0 338.492 2.153 10 0 EEAERP CCOC(=O)CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593729659 469112532 /nfs/dbraw/zinc/11/25/32/469112532.db2.gz HNLUGYPUJRGVKH-ZACQAIPSSA-N 2 0 326.481 2.471 10 0 EEAERP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985895 469458714 /nfs/dbraw/zinc/45/87/14/469458714.db2.gz LZPGVHSKTMBMGD-ROUUACIJSA-N 2 0 338.467 2.333 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cncn2C)CC1 ZINC000623086238 469546377 /nfs/dbraw/zinc/54/63/77/469546377.db2.gz DKLRGNVXWWMMHS-UHFFFAOYSA-N 2 0 341.503 2.284 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)CC1(C)C ZINC000623507137 469678915 /nfs/dbraw/zinc/67/89/15/469678915.db2.gz ZWJXHMMPWAFCTI-HNNXBMFYSA-N 2 0 345.553 2.042 10 0 EEAERP C[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375308 469697080 /nfs/dbraw/zinc/69/70/80/469697080.db2.gz AUTNHFHDGNNOEH-KKUMJFAQSA-N 2 0 330.476 2.284 10 0 EEAERP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721013 469744792 /nfs/dbraw/zinc/74/47/92/469744792.db2.gz FCBBCLKLLJDRNF-WMZOPIPTSA-N 2 0 336.524 2.423 10 0 EEAERP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000626934482 469760612 /nfs/dbraw/zinc/76/06/12/469760612.db2.gz ZXEKMCPQZKCCMK-IAGOWNOFSA-N 2 0 336.524 2.327 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934383 469760658 /nfs/dbraw/zinc/76/06/58/469760658.db2.gz FUWJRLWRESFGSX-RCCFBDPRSA-N 2 0 330.476 2.263 10 0 EEAERP 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ZINC000634702402 470281595 /nfs/dbraw/zinc/28/15/95/470281595.db2.gz GOYJUYQOZPCWLP-JBACZVJFSA-N 2 0 346.515 2.053 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000638850818 470304175 /nfs/dbraw/zinc/30/41/75/470304175.db2.gz JUVGIEHLLCENSH-FPAYPSAMSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000638978349 470343083 /nfs/dbraw/zinc/34/30/83/470343083.db2.gz XYIRXBFPMFTQME-DOTOQJQBSA-N 2 0 330.476 2.334 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[nH+]1 ZINC000635011382 470400356 /nfs/dbraw/zinc/40/03/56/470400356.db2.gz ZQJBAJIHZQRROP-BRWVUGGUSA-N 2 0 330.476 2.498 10 0 EEAERP CC1(OCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[NH2+]C1 ZINC000649312701 470542013 /nfs/dbraw/zinc/54/20/13/470542013.db2.gz LDWLQEMNHHJGFF-UHFFFAOYSA-N 2 0 345.487 2.057 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000649342743 470551999 /nfs/dbraw/zinc/55/19/99/470551999.db2.gz MHZLUOQJDJSBID-ROUUACIJSA-N 2 0 329.488 2.498 10 0 EEAERP CCN1CCC([N@@H+]2CCCN(Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000649631806 470649205 /nfs/dbraw/zinc/64/92/05/470649205.db2.gz NJNSCVODPGWZMX-UHFFFAOYSA-N 2 0 345.535 2.211 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cn1 ZINC000647203061 470856850 /nfs/dbraw/zinc/85/68/50/470856850.db2.gz IOBUFXSMFVGERY-SFHVURJKSA-N 2 0 341.503 2.296 10 0 EEAERP Fc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1-n1cncn1 ZINC000647480587 470911681 /nfs/dbraw/zinc/91/16/81/470911681.db2.gz SZYZPLSAFBTFHD-RDJZCZTQSA-N 2 0 329.423 2.370 10 0 EEAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638122088 470974574 /nfs/dbraw/zinc/97/45/74/470974574.db2.gz HWDCJTOPMKYMMY-BYUNMRKYSA-N 2 0 345.487 2.051 10 0 EEAERP Cn1ncc(C2CCC2)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000657337918 471102385 /nfs/dbraw/zinc/10/23/85/471102385.db2.gz LYZARBOXGHCPDT-UHFFFAOYSA-N 2 0 345.535 2.336 10 0 EEAERP Cc1cccc2c1[nH+]cc(C)c2N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651383383 471153120 /nfs/dbraw/zinc/15/31/20/471153120.db2.gz XANNBWUKJXSGSL-UHFFFAOYSA-N 2 0 326.444 2.062 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1-c1ccnn1C ZINC000657573740 471172011 /nfs/dbraw/zinc/17/20/11/471172011.db2.gz RVHCAUFEGCKWNB-KRWDZBQOSA-N 2 0 343.519 2.449 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000652147404 471244841 /nfs/dbraw/zinc/24/48/41/471244841.db2.gz SDLHZXLROJHZDG-MRXNPFEDSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@@H](CCNC(=O)NCCC1(C[NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000652162045 471248115 /nfs/dbraw/zinc/24/81/15/471248115.db2.gz DEBDBCXHPDWVLA-INIZCTEOSA-N 2 0 332.492 2.325 10 0 EEAERP [NH3+]CC1(CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000652238567 471260791 /nfs/dbraw/zinc/26/07/91/471260791.db2.gz LGIOZZUQERMESC-UHFFFAOYSA-N 2 0 336.524 2.413 10 0 EEAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652241316 471260896 /nfs/dbraw/zinc/26/08/96/471260896.db2.gz DFFMGUSTNBNMOD-IRXDYDNUSA-N 2 0 336.524 2.411 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658290128 471285488 /nfs/dbraw/zinc/28/54/88/471285488.db2.gz ARSFQVOOOGIAAL-LTFXXXRZSA-N 2 0 333.520 2.092 10 0 EEAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000658291691 471285684 /nfs/dbraw/zinc/28/56/84/471285684.db2.gz UHTZFDRYFGRCHD-RTBURBONSA-N 2 0 333.520 2.094 10 0 EEAERP CC1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000655519190 471362357 /nfs/dbraw/zinc/36/23/57/471362357.db2.gz PHUHREYXLKAJSR-AWEZNQCLSA-N 2 0 343.393 2.295 10 0 EEAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663501250 471401409 /nfs/dbraw/zinc/40/14/09/471401409.db2.gz UCIWZRCCAQHXIU-HNNXBMFYSA-N 2 0 330.457 2.062 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659029279 471473553 /nfs/dbraw/zinc/47/35/53/471473553.db2.gz BBRVIYYHWZQDMO-QAPCUYQASA-N 2 0 346.475 2.343 10 0 EEAERP CCC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659034567 471477952 /nfs/dbraw/zinc/47/79/52/471477952.db2.gz OHZYZRNWSZNDCJ-SFHVURJKSA-N 2 0 346.475 2.343 10 0 EEAERP CCN(C(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000663698226 471481625 /nfs/dbraw/zinc/48/16/25/471481625.db2.gz ULLQZXZEMAOKGD-LPHOPBHVSA-N 2 0 344.503 2.169 10 0 EEAERP O[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835527 471507096 /nfs/dbraw/zinc/50/70/96/471507096.db2.gz LVKMFSOQNJTBIW-FKAFAWJWSA-N 2 0 334.504 2.301 10 0 EEAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+](C)C ZINC000655927863 471544918 /nfs/dbraw/zinc/54/49/18/471544918.db2.gz IWDUORXHBLMFLD-XBFCOCLRSA-N 2 0 346.397 2.175 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556710 471550656 /nfs/dbraw/zinc/55/06/56/471550656.db2.gz CBRUKMJCGAQQLX-PLOWYNNNSA-N 2 0 344.503 2.322 10 0 EEAERP C[C@@]1(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565861 471560002 /nfs/dbraw/zinc/56/00/02/471560002.db2.gz NRLACICLDCIETI-QUCCMNQESA-N 2 0 344.503 2.482 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000659318837 471579384 /nfs/dbraw/zinc/57/93/84/471579384.db2.gz DTDBIHIHNAPGKH-WDSOQIARSA-N 2 0 347.503 2.156 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000659428224 471621134 /nfs/dbraw/zinc/62/11/34/471621134.db2.gz YRHNTZBGJZHASR-RMXPPQQLSA-N 2 0 330.476 2.202 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667083158 471647868 /nfs/dbraw/zinc/64/78/68/471647868.db2.gz ODGZJZJLDLCTQN-WMLDXEAASA-N 2 0 334.464 2.137 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000659500400 471658735 /nfs/dbraw/zinc/65/87/35/471658735.db2.gz UZQZAEBDOSSJHG-UHFFFAOYSA-N 2 0 342.487 2.092 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396805 471741233 /nfs/dbraw/zinc/74/12/33/471741233.db2.gz MHIYRRJLPDOXFP-IRXDYDNUSA-N 2 0 332.492 2.461 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)C2)CC1 ZINC000661403399 471744586 /nfs/dbraw/zinc/74/45/86/471744586.db2.gz LAQYBNINBFYJFI-SJORKVTESA-N 2 0 336.524 2.233 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654396723 471942509 /nfs/dbraw/zinc/94/25/09/471942509.db2.gz LBHPFRVACJOUMX-RWQQGDIJSA-N 2 0 344.503 2.461 10 0 EEAERP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030465 471962928 /nfs/dbraw/zinc/96/29/28/471962928.db2.gz FQVALEUJGFOQCX-FVQBIDKESA-N 2 0 340.427 2.372 10 0 EEAERP CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000665234644 471976125 /nfs/dbraw/zinc/97/61/25/471976125.db2.gz HSRNAOIUAHSUKD-ZDUSSCGKSA-N 2 0 326.444 2.336 10 0 EEAERP c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC3(C[NH2+]C3)O1)OCCO2 ZINC000662248824 472041257 /nfs/dbraw/zinc/04/12/57/472041257.db2.gz JZTZYWSSALFZBK-HOTGVXAUSA-N 2 0 330.428 2.116 10 0 EEAERP CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000665601738 472106912 /nfs/dbraw/zinc/10/69/12/472106912.db2.gz DIEGTQAAKIAQGB-INIZCTEOSA-N 2 0 334.464 2.185 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662683608 472205240 /nfs/dbraw/zinc/20/52/40/472205240.db2.gz QQMXQUQHMJCCGX-KBPBESRZSA-N 2 0 336.480 2.356 10 0 EEAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662700248 472214498 /nfs/dbraw/zinc/21/44/98/472214498.db2.gz GURSLZUSYYVHDZ-GOSISDBHSA-N 2 0 341.499 2.342 10 0 EEAERP C[C@@]([NH3+])(C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000662883433 472290670 /nfs/dbraw/zinc/29/06/70/472290670.db2.gz JZXCXDNKIPRSRX-MJGOQNOKSA-N 2 0 325.412 2.160 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000662973483 472314445 /nfs/dbraw/zinc/31/44/45/472314445.db2.gz QSPDCCCTOIVARS-ZWKOTPCHSA-N 2 0 333.476 2.036 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000673865770 485561326 /nfs/dbraw/zinc/56/13/26/485561326.db2.gz ZLLRODZNTPXHBR-UHFFFAOYSA-N 2 0 340.431 2.263 10 0 EEAERP CSc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+](C)C)cc1 ZINC000583094876 485579891 /nfs/dbraw/zinc/57/98/91/485579891.db2.gz XRAQKNMIPDEOKK-WMLDXEAASA-N 2 0 335.517 2.469 10 0 EEAERP COC(=O)c1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600759336 485627093 /nfs/dbraw/zinc/62/70/93/485627093.db2.gz OIXPWXGIFIISTE-KRWDZBQOSA-N 2 0 332.444 2.064 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000681182837 486163912 /nfs/dbraw/zinc/16/39/12/486163912.db2.gz OTOINQIJYIPMHA-QGZVFWFLSA-N 2 0 345.491 2.044 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171573870 534627000 /nfs/dbraw/zinc/62/70/00/534627000.db2.gz IQADHIPIKNVZRR-IAGOWNOFSA-N 2 0 346.475 2.296 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000760500030 577664205 /nfs/dbraw/zinc/66/42/05/577664205.db2.gz PLKBPULWWHFBKE-MSOLQXFVSA-N 2 0 346.544 2.238 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSC(C)(C)C ZINC000750734503 577741987 /nfs/dbraw/zinc/74/19/87/577741987.db2.gz HJUSYKKIIAUXSB-OAHLLOKOSA-N 2 0 329.554 2.393 10 0 EEAERP CCOC(=O)c1cnn(CN(C)CC2CC[NH+](C)CC2)c1C(F)F ZINC000066449602 674960592 /nfs/dbraw/zinc/96/05/92/674960592.db2.gz ABKBCIYRZCMTSH-UHFFFAOYSA-N 2 0 344.406 2.229 10 0 EEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)C2)C1 ZINC000292057292 678645792 /nfs/dbraw/zinc/64/57/92/678645792.db2.gz CELXMRMDRFXAQN-JBACZVJFSA-N 2 0 344.499 2.469 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)n(C)n1 ZINC000925023983 682551306 /nfs/dbraw/zinc/55/13/06/682551306.db2.gz QOVRGSCKOBYIGW-BJLQDIEVSA-N 2 0 348.535 2.266 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]CCC2(CO)CC2)c2c1OC(F)(F)O2 ZINC000894915324 683398495 /nfs/dbraw/zinc/39/84/95/683398495.db2.gz ROIXSRRRIVPRFY-UHFFFAOYSA-N 2 0 342.386 2.322 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000914384020 683546626 /nfs/dbraw/zinc/54/66/26/683546626.db2.gz KHYHETHRWLEFHN-VQIMIIECSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1ccnc(N)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895250810 684386190 /nfs/dbraw/zinc/38/61/90/684386190.db2.gz CPLOEGRRVFXZIT-UHFFFAOYSA-N 2 0 325.460 2.369 10 0 EEAERP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000925606741 684619625 /nfs/dbraw/zinc/61/96/25/684619625.db2.gz QEJJLTCWRWWBTG-UFYCRDLUSA-N 3 0 336.568 2.016 10 0 EEAERP Cc1cc(C)cc(OCC[NH+]2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001485521229 1191824616 /nfs/dbraw/zinc/82/46/16/1191824616.db2.gz AIGYMPGGBNANJY-QGZVFWFLSA-N 2 0 347.503 2.070 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001485706545 1191900082 /nfs/dbraw/zinc/90/00/82/1191900082.db2.gz JLMNVAQLPLGGOR-IYARVYRRSA-N 2 0 344.503 2.250 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813839 1191978040 /nfs/dbraw/zinc/97/80/40/1191978040.db2.gz OHEFPSBZAUNJKD-RBUKOAKNSA-N 2 0 344.503 2.283 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001485815363 1191979310 /nfs/dbraw/zinc/97/93/10/1191979310.db2.gz ZKDIQEABNRPEKP-MSOLQXFVSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493585426 1192125508 /nfs/dbraw/zinc/12/55/08/1192125508.db2.gz UXHPQWRSURQNGK-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC001480875076 1176577501 /nfs/dbraw/zinc/57/75/01/1176577501.db2.gz OGRPYEKPZQKVOO-HNNXBMFYSA-N 2 0 339.430 2.387 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCCCC(F)(F)F)C2)CCC1 ZINC001266531311 1176759629 /nfs/dbraw/zinc/75/96/29/1176759629.db2.gz XEGAQRFEWANCNS-ZDUSSCGKSA-N 2 0 335.414 2.394 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(Cl)n1 ZINC001266577441 1176877941 /nfs/dbraw/zinc/87/79/41/1176877941.db2.gz KUOUWBIPOLYTIR-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCc2ccccc2)C2CC2)C1 ZINC001670557711 1176905205 /nfs/dbraw/zinc/90/52/05/1176905205.db2.gz WRCGXIQEVHIHGY-RTBURBONSA-N 2 0 329.488 2.055 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCCCO1 ZINC001670728816 1177157159 /nfs/dbraw/zinc/15/71/59/1177157159.db2.gz CKSCWGQUBDUOML-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702116 1177227314 /nfs/dbraw/zinc/22/73/14/1177227314.db2.gz PHSDCGRVUAAAOD-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744900 1177337441 /nfs/dbraw/zinc/33/74/41/1177337441.db2.gz WSCBJIULJWVMMF-SFHVURJKSA-N 2 0 328.460 2.200 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001266793209 1177436708 /nfs/dbraw/zinc/43/67/08/1177436708.db2.gz JBFXBAQFRYSNEH-IEBWSBKVSA-N 2 0 347.503 2.234 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001266807396 1177464557 /nfs/dbraw/zinc/46/45/57/1177464557.db2.gz KIZJYUDILIOCPO-UONOGXRCSA-N 2 0 335.414 2.109 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1 ZINC001266854277 1177572958 /nfs/dbraw/zinc/57/29/58/1177572958.db2.gz IDGFZTSTSYRLGJ-HNNXBMFYSA-N 2 0 331.451 2.343 10 0 EEAERP CC(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001267096223 1178230144 /nfs/dbraw/zinc/23/01/44/1178230144.db2.gz KYVGGYFSWOULDB-HXUWFJFHSA-N 2 0 343.515 2.433 10 0 EEAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1ccc(F)cc1 ZINC001480922947 1178453891 /nfs/dbraw/zinc/45/38/91/1178453891.db2.gz IOUIIBPCUYNPDN-ZWKOTPCHSA-N 2 0 333.451 2.391 10 0 EEAERP CC(C)n1ccc(CNCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001267373206 1178886391 /nfs/dbraw/zinc/88/63/91/1178886391.db2.gz PZMCTSWCFASTGB-UHFFFAOYSA-N 2 0 349.523 2.277 10 0 EEAERP Cc1cccc(CCC[NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001267457451 1179040874 /nfs/dbraw/zinc/04/08/74/1179040874.db2.gz ZNGIXYAYLDTHHN-UHFFFAOYSA-N 2 0 329.488 2.071 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCN1Cc1c(F)cccc1F ZINC001481068604 1179672832 /nfs/dbraw/zinc/67/28/32/1179672832.db2.gz AVCUSNPZDXFTTO-CQSZACIVSA-N 2 0 337.414 2.141 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1csc(C)c1 ZINC001481151427 1179930227 /nfs/dbraw/zinc/93/02/27/1179930227.db2.gz FZKJGJUVZYPMMA-UHFFFAOYSA-N 2 0 335.517 2.481 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001267744892 1180375760 /nfs/dbraw/zinc/37/57/60/1180375760.db2.gz ABZSMFNKXFXSII-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001267919209 1180764736 /nfs/dbraw/zinc/76/47/36/1180764736.db2.gz SZKQUNAMIGZSDP-SFHVURJKSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ncsc1C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001481347032 1181085118 /nfs/dbraw/zinc/08/51/18/1181085118.db2.gz FKVVQRXRNLYAAO-HNNXBMFYSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268070306 1181667934 /nfs/dbraw/zinc/66/79/34/1181667934.db2.gz FYYBQAPFWVZHHJ-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001268084597 1181702120 /nfs/dbraw/zinc/70/21/20/1181702120.db2.gz GQABCCSPFTXHRC-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP CN(CC[N@H+](C)CCCCC1CCOCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001268231967 1182051747 /nfs/dbraw/zinc/05/17/47/1182051747.db2.gz GQTQUTPHRCLDAZ-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001268286775 1182166448 /nfs/dbraw/zinc/16/64/48/1182166448.db2.gz FBRAKCUBSUQBLE-IAGOWNOFSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268397189 1182473949 /nfs/dbraw/zinc/47/39/49/1182473949.db2.gz VSCSHHSOGZDNMW-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268410460 1182549715 /nfs/dbraw/zinc/54/97/15/1182549715.db2.gz CNBBHJRBAQHJKU-QGZVFWFLSA-N 2 0 332.492 2.106 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001481867490 1182837993 /nfs/dbraw/zinc/83/79/93/1182837993.db2.gz CLJIRJKWJMUGBY-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cnc(C)s1 ZINC001481882018 1182866968 /nfs/dbraw/zinc/86/69/68/1182866968.db2.gz NURZKKFMGGUNGE-OAHLLOKOSA-N 2 0 338.521 2.312 10 0 EEAERP C[N@H+](CC(=O)N[C@](C)(C[NH2+]Cc1cncc(F)c1)C1CC1)C1CCC1 ZINC001481932474 1182972182 /nfs/dbraw/zinc/97/21/82/1182972182.db2.gz RBGCQFAWDQEQHO-LJQANCHMSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1nc(C)oc1C)C1CC1)[NH+](C)C ZINC001481943017 1183003725 /nfs/dbraw/zinc/00/37/25/1183003725.db2.gz YJGFDVMOAUGGBA-WMZOPIPTSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@](C[NH2+]Cc1ccc(F)cc1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481945642 1183008955 /nfs/dbraw/zinc/00/89/55/1183008955.db2.gz AFTUZGWFYLBAPQ-LJQANCHMSA-N 2 0 345.462 2.296 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001482055849 1183256200 /nfs/dbraw/zinc/25/62/00/1183256200.db2.gz JHXHPHHHMOVWKV-RBBJQHAHSA-N 2 0 346.302 2.228 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](OC)C1CCCC1)[NH+](C)C ZINC001482063085 1183277944 /nfs/dbraw/zinc/27/79/44/1183277944.db2.gz VRIMHLWKKWPOEA-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001482128351 1183374850 /nfs/dbraw/zinc/37/48/50/1183374850.db2.gz CJTMFLAMIMRYRS-DZGCQCFKSA-N 2 0 336.480 2.260 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001482167768 1183494833 /nfs/dbraw/zinc/49/48/33/1183494833.db2.gz HQKDYJVJSCWMEQ-HUUCEWRRSA-N 2 0 331.451 2.250 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001268614799 1183531503 /nfs/dbraw/zinc/53/15/03/1183531503.db2.gz YRZOMHMWWYZOJX-XYBNCVKDSA-N 2 0 337.414 2.069 10 0 EEAERP C[C@H](C[NH2+]CCCc1c(F)cccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268639689 1183569587 /nfs/dbraw/zinc/56/95/87/1183569587.db2.gz MHRHBFPIQPTEJL-CXAGYDPISA-N 2 0 339.430 2.086 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001268670074 1183598016 /nfs/dbraw/zinc/59/80/16/1183598016.db2.gz SADLPDUSTLQRFE-IEBWSBKVSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cnc(Cl)s2)C1 ZINC001268847947 1183764039 /nfs/dbraw/zinc/76/40/39/1183764039.db2.gz PJZUDZYLWGQREZ-GFCCVEGCSA-N 2 0 344.912 2.076 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCCc2ccccc21)C(=O)Cc1ncc[nH]1 ZINC001268894193 1183797373 /nfs/dbraw/zinc/79/73/73/1183797373.db2.gz SIFYXYGMOURLCE-QGZVFWFLSA-N 2 0 326.444 2.468 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCOC ZINC001269189331 1184041588 /nfs/dbraw/zinc/04/15/88/1184041588.db2.gz SNANMGSTUYRBIT-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001269281436 1184134836 /nfs/dbraw/zinc/13/48/36/1184134836.db2.gz QQSYJXQMYZLMEC-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CCCC1 ZINC001270390795 1185069499 /nfs/dbraw/zinc/06/94/99/1185069499.db2.gz ZPXCKMFIPGVHAP-KBPBESRZSA-N 2 0 335.414 2.298 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)cs1 ZINC001482292255 1185126897 /nfs/dbraw/zinc/12/68/97/1185126897.db2.gz JZACZYXFIGSNND-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001482299626 1185198171 /nfs/dbraw/zinc/19/81/71/1185198171.db2.gz RZSJXVCPOQIPSD-IEBWSBKVSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C(=O)CCn1ccnc1 ZINC001482312365 1185291009 /nfs/dbraw/zinc/29/10/09/1185291009.db2.gz GSSDMUSYQNKSLZ-UONOGXRCSA-N 2 0 328.407 2.145 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)cc1Cl ZINC001482324030 1185363823 /nfs/dbraw/zinc/36/38/23/1185363823.db2.gz BJSAWYSJKGIVLG-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001482407776 1185633339 /nfs/dbraw/zinc/63/33/39/1185633339.db2.gz INGMANNSBPLBKE-QZTJIDSGSA-N 2 0 339.524 2.160 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001271206481 1186081795 /nfs/dbraw/zinc/08/17/95/1186081795.db2.gz FZWJEOPHUCAFLP-QGZVFWFLSA-N 2 0 331.504 2.324 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CCF)C2CCCCC2)CC1 ZINC001271346261 1186152163 /nfs/dbraw/zinc/15/21/63/1186152163.db2.gz BPHHUMPZYBCOKB-QGZVFWFLSA-N 2 0 327.488 2.343 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001271576200 1186318706 /nfs/dbraw/zinc/31/87/06/1186318706.db2.gz MBRSKIZXMIBTJV-RDJZCZTQSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482536311 1186576246 /nfs/dbraw/zinc/57/62/46/1186576246.db2.gz PZJMIKQQVAHSTB-RTBURBONSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482547515 1186648087 /nfs/dbraw/zinc/64/80/87/1186648087.db2.gz JQEOLQNIZMJKRR-QZTJIDSGSA-N 2 0 347.503 2.198 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CCc2ccccc2C1)C(=O)C[NH+]1CCCC1 ZINC001482648959 1187480033 /nfs/dbraw/zinc/48/00/33/1187480033.db2.gz CPQXUSSAGYCGKS-SFHVURJKSA-N 2 0 343.515 2.278 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H](OC)C1CCC1 ZINC001482651636 1187487388 /nfs/dbraw/zinc/48/73/88/1187487388.db2.gz HKAGCMAQNOMEPT-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272781747 1193495466 /nfs/dbraw/zinc/49/54/66/1193495466.db2.gz IQQNPGPTUZXBOA-AWEZNQCLSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001279150579 1187569909 /nfs/dbraw/zinc/56/99/09/1187569909.db2.gz VYXVMULZKXVULY-WJNHHXLDSA-N 2 0 329.916 2.401 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001482831622 1187751371 /nfs/dbraw/zinc/75/13/71/1187751371.db2.gz AJSRESCVJMJNGI-HNAYVOBHSA-N 2 0 345.487 2.021 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001482840124 1187759217 /nfs/dbraw/zinc/75/92/17/1187759217.db2.gz RHWIVJIZPUUDSD-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1C ZINC001482887412 1187803693 /nfs/dbraw/zinc/80/36/93/1187803693.db2.gz BJAZKYDKPNHCTH-RDJZCZTQSA-N 2 0 347.503 2.330 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001482898154 1187810085 /nfs/dbraw/zinc/81/00/85/1187810085.db2.gz ARZCKYKMRUSCDT-CYBMUJFWSA-N 2 0 325.403 2.045 10 0 EEAERP CCN1CCO[C@@H](C(=O)N[C@H](C)CC[NH2+]CC2CCCCCC2)C1 ZINC001482900941 1187813137 /nfs/dbraw/zinc/81/31/37/1187813137.db2.gz LUOHNIDTVNTQBS-SJLPKXTDSA-N 2 0 339.524 2.162 10 0 EEAERP COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001670939491 1193529936 /nfs/dbraw/zinc/52/99/36/1193529936.db2.gz HAQAWZZJSCWZSX-FBVQUNGASA-N 2 0 339.524 2.111 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cnc(C)s1 ZINC001483015051 1187998980 /nfs/dbraw/zinc/99/89/80/1187998980.db2.gz CQKLYVPLDMMSNP-DWTRPJMMSA-N 2 0 336.505 2.088 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001691623251 1188322976 /nfs/dbraw/zinc/32/29/76/1188322976.db2.gz QAXFRALCYTXRHL-HNNXBMFYSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1conc1C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001272223674 1188378712 /nfs/dbraw/zinc/37/87/12/1188378712.db2.gz IJSCNHKZYNYYLV-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483096834 1188471173 /nfs/dbraw/zinc/47/11/73/1188471173.db2.gz FKHQOZSGISZZJM-KSLSASGISA-N 2 0 330.476 2.025 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001272828922 1193567032 /nfs/dbraw/zinc/56/70/32/1193567032.db2.gz FGJWNXRSALPZKJ-ZDUSSCGKSA-N 2 0 338.521 2.174 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1C ZINC001483127533 1188593969 /nfs/dbraw/zinc/59/39/69/1188593969.db2.gz SRXNPWHGNRKLCR-CRAIPNDOSA-N 2 0 347.503 2.471 10 0 EEAERP Cc1nc[nH]c1CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001483188712 1189060669 /nfs/dbraw/zinc/06/06/69/1189060669.db2.gz SPDIAFZYGBJAIO-GDBMZVCRSA-N 2 0 340.471 2.160 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)[NH+](C)C ZINC001483263596 1190288299 /nfs/dbraw/zinc/28/82/99/1190288299.db2.gz XBKQXTSIFQLXMW-SOUVJXGZSA-N 2 0 333.467 2.492 10 0 EEAERP Cc1cccc(C)c1OCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001483419058 1190466230 /nfs/dbraw/zinc/46/62/30/1190466230.db2.gz FEHGKKVEFAGNAZ-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2cnc(C)cn2)CC[N@@H+]1C ZINC001483468056 1190492342 /nfs/dbraw/zinc/49/23/42/1190492342.db2.gz YAOIDISVZFJEIC-XYJFISCASA-N 2 0 347.507 2.014 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC=C(Cl)Cl)C2CC2)CCC1 ZINC001483566396 1190555841 /nfs/dbraw/zinc/55/58/41/1190555841.db2.gz OXIYBGPOPSJUJS-GFCCVEGCSA-N 2 0 334.291 2.274 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001483606519 1190585421 /nfs/dbraw/zinc/58/54/21/1190585421.db2.gz DFXZLYYZBWOPSM-MSOLQXFVSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC001483620768 1190602837 /nfs/dbraw/zinc/60/28/37/1190602837.db2.gz MIFOMBUMCMUSMD-WMLDXEAASA-N 2 0 348.491 2.220 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486122559 1193688145 /nfs/dbraw/zinc/68/81/45/1193688145.db2.gz RWCAQYHYSQWNGP-FUHWJXTLSA-N 2 0 346.519 2.173 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCCOC ZINC001483626748 1190691149 /nfs/dbraw/zinc/69/11/49/1190691149.db2.gz SEAXUMPXLIGXRY-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001483680369 1190741255 /nfs/dbraw/zinc/74/12/55/1190741255.db2.gz AITMDOGBIDHMQD-VQIMIIECSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1ccc(CN2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)c(C)n1 ZINC001483710227 1190792783 /nfs/dbraw/zinc/79/27/83/1190792783.db2.gz WSPIAUFJABRZAN-LJQANCHMSA-N 2 0 344.503 2.265 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001272523105 1190866123 /nfs/dbraw/zinc/86/61/23/1190866123.db2.gz BWBXJFCQLYDPGH-DOTOQJQBSA-N 2 0 335.517 2.479 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001483774815 1191017278 /nfs/dbraw/zinc/01/72/78/1191017278.db2.gz FVGVGWWLCNZTKP-WMZOPIPTSA-N 2 0 342.487 2.145 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCF ZINC001483824468 1191075168 /nfs/dbraw/zinc/07/51/68/1191075168.db2.gz KBEYKWUIUXGCMM-XHSDSOJGSA-N 2 0 331.451 2.091 10 0 EEAERP COCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001483912276 1191113814 /nfs/dbraw/zinc/11/38/14/1191113814.db2.gz OQBVMKILPKUNPZ-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCCCCF)CC2)CC[N@@H+]1C ZINC001483966232 1191135029 /nfs/dbraw/zinc/13/50/29/1191135029.db2.gz KGNLBTLEYGQGFV-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCOC)C1 ZINC001484173563 1191252341 /nfs/dbraw/zinc/25/23/41/1191252341.db2.gz GABPYAKNQDVNJB-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)co1 ZINC001484520019 1191394088 /nfs/dbraw/zinc/39/40/88/1191394088.db2.gz CHYXYWOCOONXBH-SJLPKXTDSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484533545 1191401875 /nfs/dbraw/zinc/40/18/75/1191401875.db2.gz UMALTWASRQWWDB-IEBWSBKVSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)no1 ZINC001484535941 1191403757 /nfs/dbraw/zinc/40/37/57/1191403757.db2.gz PBDUFCIPGUNBQD-UAGQMJEPSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001484690701 1191468192 /nfs/dbraw/zinc/46/81/92/1191468192.db2.gz QRRUSLZKIFARGX-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP COCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484832090 1191545768 /nfs/dbraw/zinc/54/57/68/1191545768.db2.gz RNQFBWIZDYQXSR-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485156355 1191668313 /nfs/dbraw/zinc/66/83/13/1191668313.db2.gz GPURTGXYYCPZQY-OLZOCXBDSA-N 2 0 339.430 2.432 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485206252 1191693215 /nfs/dbraw/zinc/69/32/15/1191693215.db2.gz IIPSJCHKAVOTIG-QWHCGFSZSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001485213225 1191695485 /nfs/dbraw/zinc/69/54/85/1191695485.db2.gz CLFZOPYHKQICPL-STQMWFEESA-N 2 0 335.414 2.298 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230544 1191699383 /nfs/dbraw/zinc/69/93/83/1191699383.db2.gz VRYRAHMZHLJXFZ-UONOGXRCSA-N 2 0 338.521 2.310 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)C[N@H+](C)C1CCC1 ZINC001485254208 1191705023 /nfs/dbraw/zinc/70/50/23/1191705023.db2.gz PJLYPTNPSUORDA-UHFFFAOYSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001485315442 1191731293 /nfs/dbraw/zinc/73/12/93/1191731293.db2.gz YURZSVUBZUTZQN-ZDUSSCGKSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349405 1191750106 /nfs/dbraw/zinc/75/01/06/1191750106.db2.gz FRYSGDIQRJQQDK-YJBOKZPZSA-N 2 0 345.503 2.062 10 0 EEAERP Cc1oncc1C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001485455779 1191791921 /nfs/dbraw/zinc/79/19/21/1191791921.db2.gz VSTLWSAJESUSIR-HNNXBMFYSA-N 2 0 348.491 2.234 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486235097 1193787051 /nfs/dbraw/zinc/78/70/51/1193787051.db2.gz RTWGFCCMSMQOTR-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCOc2ccc(C)cc2)C1)[NH+](C)C ZINC001486480907 1193994668 /nfs/dbraw/zinc/99/46/68/1193994668.db2.gz RPNTYWINKIFBCA-FAFZWHIHSA-N 2 0 347.503 2.293 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cscn2)C1 ZINC001272976645 1194284986 /nfs/dbraw/zinc/28/49/86/1194284986.db2.gz FXVBUYMTPCOMCO-LSDHHAIUSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018466 1194325742 /nfs/dbraw/zinc/32/57/42/1194325742.db2.gz KPGAMJUUQWAWME-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ccccc1CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273175871 1197344501 /nfs/dbraw/zinc/34/45/01/1197344501.db2.gz LPNXNJIINAFDDZ-IEBWSBKVSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CN(Cc2ncc(C)s2)CC1(C)C)[NH+](C)C ZINC001410037839 1197502153 /nfs/dbraw/zinc/50/21/53/1197502153.db2.gz WLXXMOKMWSJKGJ-UONOGXRCSA-N 2 0 338.521 2.118 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C/C=C\Cl)C[C@H]2C1)C1CCC1 ZINC001410196648 1197598517 /nfs/dbraw/zinc/59/85/17/1197598517.db2.gz MLBDLLRUEATRTO-FFVPEEIRSA-N 2 0 339.911 2.440 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1C ZINC001410334683 1197723539 /nfs/dbraw/zinc/72/35/39/1197723539.db2.gz AIIRGEFAJGLXTO-YOEHRIQHSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCOCC1 ZINC001410393837 1197794976 /nfs/dbraw/zinc/79/49/76/1197794976.db2.gz ZOVDENJYFWIFRE-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1csc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001410453684 1197924172 /nfs/dbraw/zinc/92/41/72/1197924172.db2.gz OVVBSASVWWYEPC-SNPRPXQTSA-N 2 0 338.521 2.118 10 0 EEAERP COc1cccc(NC(=O)CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872151403 1198059309 /nfs/dbraw/zinc/05/93/09/1198059309.db2.gz KMDGIJOWAOKYHF-FZMZJTMJSA-N 2 0 345.365 2.093 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000865251194 1198141392 /nfs/dbraw/zinc/14/13/92/1198141392.db2.gz MWOAVTBWSLGHFF-INIZCTEOSA-N 2 0 338.565 2.153 10 0 EEAERP Cn1ncc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cnc21 ZINC000865517204 1198255302 /nfs/dbraw/zinc/25/53/02/1198255302.db2.gz AFALUDKLVJEVPV-UHFFFAOYSA-N 2 0 336.443 2.370 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865593844 1198290671 /nfs/dbraw/zinc/29/06/71/1198290671.db2.gz LLIJPYCSAYFUOM-UHFFFAOYSA-N 2 0 332.448 2.039 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@H]1C ZINC001410864193 1198515056 /nfs/dbraw/zinc/51/50/56/1198515056.db2.gz QGHZZIMMQPNICU-SJLPKXTDSA-N 2 0 346.519 2.172 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949420 1198614895 /nfs/dbraw/zinc/61/48/95/1198614895.db2.gz IKPBANUJWHWVGX-UONOGXRCSA-N 2 0 336.505 2.002 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C1 ZINC001411001749 1198678382 /nfs/dbraw/zinc/67/83/82/1198678382.db2.gz CEARHXQRQQBOMZ-LBPRGKRZSA-N 2 0 336.307 2.472 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001411252215 1198976992 /nfs/dbraw/zinc/97/69/92/1198976992.db2.gz QMDMWJFKLBURGY-CVEARBPZSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C3CC[NH+](C/C=C\Cl)CC3)CC2)C1 ZINC001411258735 1198991332 /nfs/dbraw/zinc/99/13/32/1198991332.db2.gz YMFYDMYZUDMLLW-SDHLOXDLSA-N 2 0 339.911 2.442 10 0 EEAERP C[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000875006544 1199105528 /nfs/dbraw/zinc/10/55/28/1199105528.db2.gz KKEATEXQKAQRST-BHIYHBOVSA-N 2 0 346.519 2.171 10 0 EEAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000810244375 1199398333 /nfs/dbraw/zinc/39/83/33/1199398333.db2.gz RLBDITSZMWRAGT-QAPCUYQASA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000810713294 1199669223 /nfs/dbraw/zinc/66/92/23/1199669223.db2.gz RDWTZTCEXSBUFB-JMLCCBQJSA-N 2 0 325.472 2.332 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000870858666 1200916239 /nfs/dbraw/zinc/91/62/39/1200916239.db2.gz XGPTULJYZALWHZ-UHFFFAOYSA-N 2 0 327.472 2.299 10 0 EEAERP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000870908065 1200945659 /nfs/dbraw/zinc/94/56/59/1200945659.db2.gz UETYKUFQUUTHMR-FDYSRKEFSA-N 2 0 327.472 2.252 10 0 EEAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1C ZINC000866411620 1201510885 /nfs/dbraw/zinc/51/08/85/1201510885.db2.gz QWKZXBVMCICKFO-WBVHZDCISA-N 2 0 347.503 2.455 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868103209 1201744090 /nfs/dbraw/zinc/74/40/90/1201744090.db2.gz SBYPQFSPRHLLMO-MSOLQXFVSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000868234259 1201772300 /nfs/dbraw/zinc/77/23/00/1201772300.db2.gz ZSIXBOHEZDGKTE-NEWSRXKRSA-N 2 0 344.503 2.243 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000882393109 1201864987 /nfs/dbraw/zinc/86/49/87/1201864987.db2.gz WLTBOKIORHCXMX-RTBURBONSA-N 2 0 342.487 2.394 10 0 EEAERP C[C@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001274289730 1204987654 /nfs/dbraw/zinc/98/76/54/1204987654.db2.gz PXXGEPOJQRMVHW-YJBOKZPZSA-N 2 0 332.492 2.370 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001274398362 1205021232 /nfs/dbraw/zinc/02/12/32/1205021232.db2.gz LELVPKJJPBSDJW-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc2cc(C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F)ccn12 ZINC001275156404 1205269377 /nfs/dbraw/zinc/26/93/77/1205269377.db2.gz CIWUKWVZROCTTP-JTQLQIEISA-N 2 0 328.338 2.303 10 0 EEAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001275279360 1205297096 /nfs/dbraw/zinc/29/70/96/1205297096.db2.gz SLOSIAZSSMSIFC-UHFFFAOYSA-N 2 0 338.883 2.061 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001411563860 1205420341 /nfs/dbraw/zinc/42/03/41/1205420341.db2.gz VPUCVKDVMFFRDT-GGPKGHCWSA-N 2 0 329.488 2.480 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572397 1205421520 /nfs/dbraw/zinc/42/15/20/1205421520.db2.gz VKWPIGSBZDWPKC-QWHCGFSZSA-N 2 0 326.872 2.058 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CCC[NH+]3CCC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001411706117 1205494432 /nfs/dbraw/zinc/49/44/32/1205494432.db2.gz KTTVUIYMTJLRAJ-QRVBRYPASA-N 2 0 327.472 2.029 10 0 EEAERP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001411814581 1205535188 /nfs/dbraw/zinc/53/51/88/1205535188.db2.gz OYCHGZQZDZMBFR-INIZCTEOSA-N 2 0 331.460 2.433 10 0 EEAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924646102 1206010716 /nfs/dbraw/zinc/01/07/16/1206010716.db2.gz KAPDPSKGRKWTLN-RTBURBONSA-N 2 0 345.531 2.455 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)c1 ZINC000924931815 1206052401 /nfs/dbraw/zinc/05/24/01/1206052401.db2.gz LHSWEHQJTUGFRR-TXPKVOOTSA-N 2 0 336.476 2.157 10 0 EEAERP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925507555 1206120970 /nfs/dbraw/zinc/12/09/70/1206120970.db2.gz AKILHGOKCYOBFS-GOSISDBHSA-N 2 0 327.472 2.413 10 0 EEAERP Cc1ccc(C(=O)NCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1F ZINC000925536767 1206124383 /nfs/dbraw/zinc/12/43/83/1206124383.db2.gz QVYLFZAZSBECBF-PVAVHDDUSA-N 2 0 333.451 2.230 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)CO2)CC[NH2+]CC1 ZINC000925734036 1206147819 /nfs/dbraw/zinc/14/78/19/1206147819.db2.gz ZMURFZIWKVENLT-CABCVRRESA-N 2 0 326.481 2.103 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925800514 1206154793 /nfs/dbraw/zinc/15/47/93/1206154793.db2.gz SGFMLCAJTQREAK-YXYCDRMUSA-N 2 0 342.549 2.490 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000925812276 1206156540 /nfs/dbraw/zinc/15/65/40/1206156540.db2.gz NPKVHUJGRNKAPU-LJQANCHMSA-N 2 0 328.435 2.323 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000925815229 1206157271 /nfs/dbraw/zinc/15/72/71/1206157271.db2.gz PIBBQLYNOVTCHC-LJQANCHMSA-N 2 0 329.488 2.402 10 0 EEAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837879 1206158892 /nfs/dbraw/zinc/15/88/92/1206158892.db2.gz ISIVHZSMRRMKNP-QWHCGFSZSA-N 2 0 327.270 2.384 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(F)c1 ZINC000925852751 1206160922 /nfs/dbraw/zinc/16/09/22/1206160922.db2.gz HHYGHTAJZHGYAW-GXTWGEPZSA-N 2 0 336.407 2.170 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856817 1206161826 /nfs/dbraw/zinc/16/18/26/1206161826.db2.gz XKGJNCJENLMVIA-GDBMZVCRSA-N 2 0 330.428 2.175 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925916409 1206168136 /nfs/dbraw/zinc/16/81/36/1206168136.db2.gz LUXASGAEWIAFNX-ZWKOTPCHSA-N 2 0 347.507 2.200 10 0 EEAERP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926155565 1206199418 /nfs/dbraw/zinc/19/94/18/1206199418.db2.gz LKQXECJBJRRWQG-HOTGVXAUSA-N 2 0 334.489 2.107 10 0 EEAERP C[C@H]1[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000928442596 1206384589 /nfs/dbraw/zinc/38/45/89/1206384589.db2.gz WNNZTRSEDMOGSO-FUHWJXTLSA-N 2 0 329.488 2.498 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)c2)CC1 ZINC000930892150 1206590376 /nfs/dbraw/zinc/59/03/76/1206590376.db2.gz FLTGZYJHEIZJFX-MAUKXSAKSA-N 2 0 345.491 2.043 10 0 EEAERP Cc1cc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)on1 ZINC000717988010 1211684548 /nfs/dbraw/zinc/68/45/48/1211684548.db2.gz LBQYFTYBARRQAV-UHFFFAOYSA-N 2 0 329.444 2.490 10 0 EEAERP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000724874473 1230704375 /nfs/dbraw/zinc/70/43/75/1230704375.db2.gz DYWHMHQWYUUHQD-PXTPFGJHSA-N 2 0 330.472 2.433 10 0 EEAERP CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000900414159 1234331559 /nfs/dbraw/zinc/33/15/59/1234331559.db2.gz FTQOXMKZZVYQPR-QUCCMNQESA-N 2 0 345.487 2.456 10 0 EEAERP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000900908930 1234988557 /nfs/dbraw/zinc/98/85/57/1234988557.db2.gz NCYVSAMLAJMWQR-IEBWSBKVSA-N 2 0 349.519 2.107 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC000903490782 1240648320 /nfs/dbraw/zinc/64/83/20/1240648320.db2.gz HWRPFWGYBJNOJT-GHJWDPDVSA-N 2 0 326.799 2.191 10 0 EEAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000903733899 1241766652 /nfs/dbraw/zinc/76/66/52/1241766652.db2.gz SFDGRVFZGRYWRY-PMACEKPBSA-N 3 0 335.536 2.343 10 0 EEAERP COc1ccc(CCC[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903885114 1242316388 /nfs/dbraw/zinc/31/63/88/1242316388.db2.gz DSCRSBYJMNQVSW-SFHVURJKSA-N 2 0 344.503 2.419 10 0 EEAERP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903920465 1242499751 /nfs/dbraw/zinc/49/97/51/1242499751.db2.gz JXVZUFPXUOEVIG-HNNXBMFYSA-N 2 0 348.450 2.221 10 0 EEAERP CCOc1ccccc1CC[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903923074 1242515669 /nfs/dbraw/zinc/51/56/69/1242515669.db2.gz KPUBUECWNPEFEY-INIZCTEOSA-N 2 0 330.476 2.077 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(Cc3nccs3)CC2)cnn1C ZINC000903933922 1242560817 /nfs/dbraw/zinc/56/08/17/1242560817.db2.gz AVHRNUWBJNUTTC-MRXNPFEDSA-N 2 0 347.532 2.257 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])CN2CCC(C)([NH+]3CCCCC3)CC2)cnn1C ZINC000903937248 1242580926 /nfs/dbraw/zinc/58/09/26/1242580926.db2.gz GFKSVMOKWXNNNX-SFHVURJKSA-N 2 0 347.551 2.186 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379350 1243329659 /nfs/dbraw/zinc/32/96/59/1243329659.db2.gz BYGMWPWEFNIGGS-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3cccs3)on2)C1 ZINC001490924821 1258486640 /nfs/dbraw/zinc/48/66/40/1258486640.db2.gz PDCZXCYURYUBMY-JOCQHMNTSA-N 2 0 348.472 2.092 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCCCF)CC[C@H]21 ZINC001490982628 1258537004 /nfs/dbraw/zinc/53/70/04/1258537004.db2.gz MMLCFQONVXHXEU-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001491073916 1258648933 /nfs/dbraw/zinc/64/89/33/1258648933.db2.gz YPYXMZQZHIATOM-IJEWVQPXSA-N 2 0 338.883 2.058 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1ccc(F)cc1 ZINC001491496359 1259149570 /nfs/dbraw/zinc/14/95/70/1259149570.db2.gz VHXFCJSHFRPBIW-OAHLLOKOSA-N 2 0 333.451 2.296 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001489237770 1290486241 /nfs/dbraw/zinc/48/62/41/1290486241.db2.gz BUAYHNRKINUSAB-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001490455078 1291390940 /nfs/dbraw/zinc/39/09/40/1291390940.db2.gz PVJSMRZLIPOTHT-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCc1ccsc1)C1CC1 ZINC001490644713 1291509911 /nfs/dbraw/zinc/50/99/11/1291509911.db2.gz JANSGAJKWCSSKV-IRXDYDNUSA-N 2 0 335.517 2.259 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](C/C=C/Cl)CC2 ZINC001490605482 1291515600 /nfs/dbraw/zinc/51/56/00/1291515600.db2.gz FQXOMWBULZSUMH-FUVBFXSKSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC[C@H]2CCCO2)C1 ZINC001490782965 1291728720 /nfs/dbraw/zinc/72/87/20/1291728720.db2.gz MHADRUPTYFPXED-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852007728 1291951224 /nfs/dbraw/zinc/95/12/24/1291951224.db2.gz RBPMFTCZZODTKG-OAHLLOKOSA-N 2 0 348.424 2.379 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)[C@H](C)C2)cc1C ZINC000852745901 1292183010 /nfs/dbraw/zinc/18/30/10/1292183010.db2.gz ACKQBOCKBBJACR-IEBWSBKVSA-N 2 0 329.488 2.335 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852866572 1292220627 /nfs/dbraw/zinc/22/06/27/1292220627.db2.gz XYTZREQCOWZAHX-VQIMIIECSA-N 2 0 327.472 2.466 10 0 EEAERP CC1CC[NH+](CCc2cccc(NC(=O)C3=NO[C@H](C[NH3+])C3)c2)CC1 ZINC000852888358 1292226417 /nfs/dbraw/zinc/22/64/17/1292226417.db2.gz WMPWZGPXJHLRIO-KRWDZBQOSA-N 2 0 344.459 2.003 10 0 EEAERP C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000858166759 1294030017 /nfs/dbraw/zinc/03/00/17/1294030017.db2.gz ZVDJCGTWRILJAX-IBGZPJMESA-N 2 0 341.499 2.499 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)C12CCC2 ZINC000925492643 1294672539 /nfs/dbraw/zinc/67/25/39/1294672539.db2.gz MZAGVSGETDHVLB-KSZLIROESA-N 2 0 333.451 2.059 10 0 EEAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861662463 1295493126 /nfs/dbraw/zinc/49/31/26/1295493126.db2.gz AIHHLTBIXBTWFP-GOSISDBHSA-N 2 0 344.503 2.087 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001276779988 1297625540 /nfs/dbraw/zinc/62/55/40/1297625540.db2.gz UVPHCIIJMWWULZ-KBXCAEBGSA-N 2 0 344.459 2.262 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001277334777 1302474548 /nfs/dbraw/zinc/47/45/48/1302474548.db2.gz APOSWAMUTZQPPI-UKRRQHHQSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001277334793 1302474624 /nfs/dbraw/zinc/47/46/24/1302474624.db2.gz AVGVIGHZXWZMKZ-HNNXBMFYSA-N 2 0 348.491 2.268 10 0 EEAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001413819072 1303143998 /nfs/dbraw/zinc/14/39/98/1303143998.db2.gz QLWKSFJRSZTZJM-CGTJXYLNSA-N 2 0 332.492 2.413 10 0 EEAERP CC(C)CCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001277786188 1304485313 /nfs/dbraw/zinc/48/53/13/1304485313.db2.gz UNGZSCDIEJTLMP-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001277989434 1305612181 /nfs/dbraw/zinc/61/21/81/1305612181.db2.gz XSXVUKHZLFPPON-SFHVURJKSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841851144 1315623418 /nfs/dbraw/zinc/62/34/18/1315623418.db2.gz KZSOYAQWHZYVKG-PBHICJAKSA-N 2 0 336.867 2.035 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](C)C3)cc2F)CC1 ZINC001152768695 1316721108 /nfs/dbraw/zinc/72/11/08/1316721108.db2.gz WMDFAOHOLCRNSH-HNNXBMFYSA-N 2 0 348.466 2.248 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCOCC1)[NH+](C)C ZINC001278728116 1317872937 /nfs/dbraw/zinc/87/29/37/1317872937.db2.gz BNJYMOFCHBZNQP-INIZCTEOSA-N 2 0 341.540 2.408 10 0 EEAERP C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001278817715 1318200888 /nfs/dbraw/zinc/20/08/88/1318200888.db2.gz TVVFSPSAMPMVEP-IRXDYDNUSA-N 2 0 341.540 2.096 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001279039406 1319064130 /nfs/dbraw/zinc/06/41/30/1319064130.db2.gz VOLQYQIAPREBHV-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCOC(C)C ZINC001264054413 1322601215 /nfs/dbraw/zinc/60/12/15/1322601215.db2.gz MIFFYTZZJMHVOM-DLBZAZTESA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1Cc1cccnc1 ZINC001264177030 1322649398 /nfs/dbraw/zinc/64/93/98/1322649398.db2.gz XQBVMJTXWUMORX-MJGOQNOKSA-N 2 0 344.503 2.427 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cccnc1 ZINC001264623687 1322753025 /nfs/dbraw/zinc/75/30/25/1322753025.db2.gz KUZRIDDVOHFQQA-ZWKOTPCHSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001264753458 1322808101 /nfs/dbraw/zinc/80/81/01/1322808101.db2.gz IPMDNZLRJLGLJC-QGZVFWFLSA-N 2 0 341.540 2.218 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C[C@@H](O)c1ccccc1 ZINC001264986320 1322834989 /nfs/dbraw/zinc/83/49/89/1322834989.db2.gz GRVSEBDQNDCEMX-RBUKOAKNSA-N 2 0 347.503 2.031 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265623608 1323274444 /nfs/dbraw/zinc/27/44/44/1323274444.db2.gz AFYFBJRTGDRVBM-KRWDZBQOSA-N 2 0 341.540 2.218 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC001265725738 1323351447 /nfs/dbraw/zinc/35/14/47/1323351447.db2.gz DYVJJOIHDSEQSM-KAVBBEAFSA-N 2 0 341.499 2.478 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001265872189 1323445076 /nfs/dbraw/zinc/44/50/76/1323445076.db2.gz QVMLSZHCZBLWRA-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001265894891 1323464738 /nfs/dbraw/zinc/46/47/38/1323464738.db2.gz AHPSSAXLDGJFIP-RBUKOAKNSA-N 2 0 329.488 2.212 10 0 EEAERP COCc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001265907004 1323476135 /nfs/dbraw/zinc/47/61/35/1323476135.db2.gz WWYFBZQKKZMDRG-IBGZPJMESA-N 2 0 347.503 2.255 10 0 EEAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1scnc1C ZINC001266049135 1323599048 /nfs/dbraw/zinc/59/90/48/1323599048.db2.gz IWGCWKDHQDRXHB-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279329510 1323876353 /nfs/dbraw/zinc/87/63/53/1323876353.db2.gz YYGVPNTVWAXGTR-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2=CC[NH+](CCCF)CC2)C1 ZINC001279636887 1323967276 /nfs/dbraw/zinc/96/72/76/1323967276.db2.gz PNBLGLGSIIXQNP-GOSISDBHSA-N 2 0 343.462 2.307 10 0 EEAERP CC(C)[C@@H](C(=O)NCc1ccc(C[NH2+]CCF)cc1F)[NH+](C)C ZINC001279709714 1323982984 /nfs/dbraw/zinc/98/29/84/1323982984.db2.gz FZAAPZMMFVWAST-INIZCTEOSA-N 2 0 327.419 2.087 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001280094403 1324082565 /nfs/dbraw/zinc/08/25/65/1324082565.db2.gz LRKULQQROFRALL-QAPCUYQASA-N 2 0 348.466 2.033 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280746808 1324472828 /nfs/dbraw/zinc/47/28/28/1324472828.db2.gz LLAWPUNAGBDWNC-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276593262 1324686899 /nfs/dbraw/zinc/68/68/99/1324686899.db2.gz IYCKVJRMLVZIAX-IRXDYDNUSA-N 2 0 341.540 2.214 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC001281456572 1325120833 /nfs/dbraw/zinc/12/08/33/1325120833.db2.gz CVWVURMGUZXEQK-KBXCAEBGSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283174195 1325944507 /nfs/dbraw/zinc/94/45/07/1325944507.db2.gz RARKULBAQPWCMN-HNAYVOBHSA-N 2 0 344.503 2.106 10 0 EEAERP COc1cccc(CCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001284003314 1326358218 /nfs/dbraw/zinc/35/82/18/1326358218.db2.gz JXGZHSMVDLRIAC-SJLPKXTDSA-N 2 0 347.503 2.159 10 0 EEAERP CCOCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001284553450 1326608235 /nfs/dbraw/zinc/60/82/35/1326608235.db2.gz LZFQDHHWCZGAEC-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](Cc2ccccn2)CC1 ZINC001284927539 1326779617 /nfs/dbraw/zinc/77/96/17/1326779617.db2.gz FORNKNLVRTYZGL-IBGZPJMESA-N 2 0 342.487 2.204 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316639782 1327032335 /nfs/dbraw/zinc/03/23/35/1327032335.db2.gz RWTNVAOAUZXJQG-MISYRCLQSA-N 2 0 343.515 2.364 10 0 EEAERP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)cn1 ZINC001491757058 1330244493 /nfs/dbraw/zinc/24/44/93/1330244493.db2.gz IJXOFSLAYCHYJX-KRWDZBQOSA-N 2 0 349.523 2.075 10 0 EEAERP CCOCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001316668736 1330254278 /nfs/dbraw/zinc/25/42/78/1330254278.db2.gz HEOFMMZJSSHCBA-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491791045 1330257213 /nfs/dbraw/zinc/25/72/13/1330257213.db2.gz KAYVCIDVPCPBBZ-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001491859505 1330266609 /nfs/dbraw/zinc/26/66/09/1330266609.db2.gz VVUYFMHXQXYYCL-HNNXBMFYSA-N 2 0 338.521 2.038 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001491890950 1330291606 /nfs/dbraw/zinc/29/16/06/1330291606.db2.gz GZBDDYGGBUVGET-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001491891904 1330292176 /nfs/dbraw/zinc/29/21/76/1330292176.db2.gz PKZKCEWFIPCPLO-OLZOCXBDSA-N 2 0 333.398 2.052 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001492092412 1330999190 /nfs/dbraw/zinc/99/91/90/1330999190.db2.gz PWZXBLAQAVISQC-AEFFLSMTSA-N 2 0 332.492 2.329 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001317308881 1332173674 /nfs/dbraw/zinc/17/36/74/1332173674.db2.gz YBQRBZXHLRUORO-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317383156 1332208257 /nfs/dbraw/zinc/20/82/57/1332208257.db2.gz KBLVXDWOKPXHBB-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)CCC1 ZINC001318128358 1332476436 /nfs/dbraw/zinc/47/64/36/1332476436.db2.gz MGSLOAGYVXFRPI-CYBMUJFWSA-N 2 0 348.318 2.103 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001318178859 1332482618 /nfs/dbraw/zinc/48/26/18/1332482618.db2.gz CGOFKWNWFOZFLL-UHFFFAOYSA-N 2 0 343.462 2.346 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001318780867 1332595229 /nfs/dbraw/zinc/59/52/29/1332595229.db2.gz LKUDUTOFXGFTLA-RDJZCZTQSA-N 2 0 348.491 2.050 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001318860749 1332613486 /nfs/dbraw/zinc/61/34/86/1332613486.db2.gz ONWIAOJDCDVRFE-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001318938469 1332626567 /nfs/dbraw/zinc/62/65/67/1332626567.db2.gz VWSNLNSEADORQU-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC001318970135 1332630982 /nfs/dbraw/zinc/63/09/82/1332630982.db2.gz YBKSYCVCKAZXLQ-SHTZXODSSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cscn1 ZINC001320473795 1332891837 /nfs/dbraw/zinc/89/18/37/1332891837.db2.gz JKQSYOFCHHBQAL-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)CC[NH+](C)C ZINC001320535021 1332905462 /nfs/dbraw/zinc/90/54/62/1332905462.db2.gz NVCRGBBSUDLMTM-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320549275 1332907769 /nfs/dbraw/zinc/90/77/69/1332907769.db2.gz QEHWLLLJJDRJDO-ZDUSSCGKSA-N 2 0 326.510 2.105 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001321220788 1333047579 /nfs/dbraw/zinc/04/75/79/1333047579.db2.gz DMWOKUOJBVVGHF-ONEGZZNKSA-N 2 0 333.451 2.238 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001322845807 1333340126 /nfs/dbraw/zinc/34/01/26/1333340126.db2.gz XIIIWXNKIUWXPT-UHFFFAOYSA-N 2 0 330.476 2.446 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1)[NH+](C)C ZINC001324179968 1333629302 /nfs/dbraw/zinc/62/93/02/1333629302.db2.gz GMZLTPDSDXUDOS-RBUKOAKNSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001324286076 1333649693 /nfs/dbraw/zinc/64/96/93/1333649693.db2.gz NZVZDCFNPKJJDH-GOSISDBHSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325458128 1333890573 /nfs/dbraw/zinc/89/05/73/1333890573.db2.gz USLGYFROBLGXML-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001326272020 1334056903 /nfs/dbraw/zinc/05/69/03/1334056903.db2.gz GQVSRYPUVKZIPO-IEBWSBKVSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326349792 1334074060 /nfs/dbraw/zinc/07/40/60/1334074060.db2.gz OIGXUFNAZHZQID-UAGQMJEPSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326980505 1334196046 /nfs/dbraw/zinc/19/60/46/1334196046.db2.gz UVZIEPONMXSDCE-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001327080917 1334217290 /nfs/dbraw/zinc/21/72/90/1334217290.db2.gz NSAHJCPUFGHPBV-IBGZPJMESA-N 2 0 347.503 2.225 10 0 EEAERP CCC1([NH2+]CCCOC)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327454995 1334295382 /nfs/dbraw/zinc/29/53/82/1334295382.db2.gz GTJHRDIZENCYGN-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001329532905 1334669745 /nfs/dbraw/zinc/66/97/45/1334669745.db2.gz SFHJVOKKVTUUMA-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001332274200 1335788183 /nfs/dbraw/zinc/78/81/83/1335788183.db2.gz ZXNKJNWVOFWCOR-QWHCGFSZSA-N 2 0 335.414 2.298 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)C1 ZINC001332880948 1335923745 /nfs/dbraw/zinc/92/37/45/1335923745.db2.gz CMBXOMBBHGRLHS-CHWSQXEVSA-N 2 0 337.430 2.401 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214979 1355900571 /nfs/dbraw/zinc/90/05/71/1355900571.db2.gz SYHBMGKLJGUPOU-SJORKVTESA-N 2 0 347.503 2.330 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001668214455 1355900870 /nfs/dbraw/zinc/90/08/70/1355900870.db2.gz LWHHHKTWQIBDOL-AWEZNQCLSA-N 2 0 338.471 2.183 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502546245 1342208847 /nfs/dbraw/zinc/20/88/47/1342208847.db2.gz QEAINIVFOKGDHI-WMZOPIPTSA-N 2 0 339.499 2.391 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938214 1342482451 /nfs/dbraw/zinc/48/24/51/1342482451.db2.gz HANOGILGHPAGFJ-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ccccn1 ZINC001567648634 1342801709 /nfs/dbraw/zinc/80/17/09/1342801709.db2.gz BDMWTXMCEVOPLW-QGZVFWFLSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1csc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)n1 ZINC001570362566 1343061697 /nfs/dbraw/zinc/06/16/97/1343061697.db2.gz XJTHTQJFOXPGTI-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306174 1357310591 /nfs/dbraw/zinc/31/05/91/1357310591.db2.gz CMRNOBINIMEFPL-VXGBXAGGSA-N 2 0 336.307 2.378 10 0 EEAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]Cc2cccnc2)C1 ZINC001677448216 1357332752 /nfs/dbraw/zinc/33/27/52/1357332752.db2.gz AKZVSBBAGRCPQA-UHFFFAOYSA-N 2 0 344.503 2.427 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@@H]2C1 ZINC001646941724 1353061316 /nfs/dbraw/zinc/06/13/16/1353061316.db2.gz VPDKJKFCQMECCN-NYLOWWGDSA-N 2 0 348.535 2.423 10 0 EEAERP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001649314794 1353474969 /nfs/dbraw/zinc/47/49/69/1353474969.db2.gz UDPNVTLQAFMTNU-RCCFBDPRSA-N 2 0 348.535 2.377 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccc(F)c(F)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649454538 1353514287 /nfs/dbraw/zinc/51/42/87/1353514287.db2.gz OQADTTYTGQJBEW-CXAGYDPISA-N 2 0 339.430 2.086 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001660368946 1354450323 /nfs/dbraw/zinc/45/03/23/1354450323.db2.gz NVQGZFXWVOSUTO-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001662721682 1354831333 /nfs/dbraw/zinc/83/13/33/1354831333.db2.gz GAOVQJUKFRBRRV-FQEVSTJZSA-N 2 0 343.515 2.462 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662785862 1354846580 /nfs/dbraw/zinc/84/65/80/1354846580.db2.gz RWRKEVXMKCODJL-ROUUACIJSA-N 2 0 333.476 2.025 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001663099298 1354914312 /nfs/dbraw/zinc/91/43/12/1354914312.db2.gz UPOPOLNUJAFKBW-WSVPDTOYSA-N 2 0 327.900 2.442 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001663927550 1355054422 /nfs/dbraw/zinc/05/44/22/1355054422.db2.gz DICYDFJDMSVXAZ-GOSISDBHSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1nc(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC001664142593 1355100351 /nfs/dbraw/zinc/10/03/51/1355100351.db2.gz NFCBHQVFSCUVMN-WFASDCNBSA-N 2 0 338.521 2.038 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001666140446 1355464915 /nfs/dbraw/zinc/46/49/15/1355464915.db2.gz UTBSCBXFDLWCSD-LJQANCHMSA-N 2 0 331.504 2.399 10 0 EEAERP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCF)CC1 ZINC001666249280 1355494406 /nfs/dbraw/zinc/49/44/06/1355494406.db2.gz JFHKXERXIOHTAH-IRXDYDNUSA-N 2 0 325.472 2.191 10 0 EEAERP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCF)CC1 ZINC001666249281 1355494831 /nfs/dbraw/zinc/49/48/31/1355494831.db2.gz JFHKXERXIOHTAH-SJORKVTESA-N 2 0 325.472 2.191 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001667176857 1355665523 /nfs/dbraw/zinc/66/55/23/1355665523.db2.gz RHNHDNQEELPOSC-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cscn1 ZINC001667279746 1355697383 /nfs/dbraw/zinc/69/73/83/1355697383.db2.gz YGAIPBAKFLGLFU-JKSUJKDBSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001668185593 1355894598 /nfs/dbraw/zinc/89/45/98/1355894598.db2.gz ORTRGOSJOBFUCX-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1F ZINC001668828984 1356014833 /nfs/dbraw/zinc/01/48/33/1356014833.db2.gz VCMCMUKLFFWXOJ-BWZQFPAASA-N 2 0 345.462 2.491 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669039248 1356073681 /nfs/dbraw/zinc/07/36/81/1356073681.db2.gz LHMHINSQBNMGLZ-FAAWYNLUSA-N 2 0 343.462 2.416 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001669207889 1356126265 /nfs/dbraw/zinc/12/62/65/1356126265.db2.gz PZUWAKQKDUZOSM-DUMMIQTOSA-N 2 0 348.491 2.256 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOc1ccccc1 ZINC001669559688 1356176056 /nfs/dbraw/zinc/17/60/56/1356176056.db2.gz YWPNXAWEPDQWGX-WMZOPIPTSA-N 2 0 333.476 2.033 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001670143552 1356283915 /nfs/dbraw/zinc/28/39/15/1356283915.db2.gz FIKCLCPOYJHGMT-INIZCTEOSA-N 2 0 336.480 2.220 10 0 EEAERP CCOCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001671867711 1356426998 /nfs/dbraw/zinc/42/69/98/1356426998.db2.gz IUCQFLQYDYVNSB-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001672293884 1356495422 /nfs/dbraw/zinc/49/54/22/1356495422.db2.gz OIJFJEWRHQJQNI-KBPBESRZSA-N 2 0 347.425 2.251 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)CC1 ZINC001672956208 1356622104 /nfs/dbraw/zinc/62/21/04/1356622104.db2.gz BZVJXFGLJAJHEL-IHRRRGAJSA-N 2 0 335.414 2.298 10 0 EEAERP CCC1([NH2+]CCOCC(C)C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001673625308 1356719422 /nfs/dbraw/zinc/71/94/22/1356719422.db2.gz PTLLVUSNBUCZLK-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001673977451 1356767017 /nfs/dbraw/zinc/76/70/17/1356767017.db2.gz QFOBRRZQTWWBMO-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001674012434 1356772619 /nfs/dbraw/zinc/77/26/19/1356772619.db2.gz NJBIWEWOKVJBKK-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](Cc1c[nH]cn1)C(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001674242026 1356806502 /nfs/dbraw/zinc/80/65/02/1356806502.db2.gz IIKNIVRHSRWIQZ-OLZOCXBDSA-N 2 0 349.866 2.321 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001675253731 1356952346 /nfs/dbraw/zinc/95/23/46/1356952346.db2.gz XLEBAZXUSPCNAS-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4=CCCCC4)C[C@H]32)CCC1 ZINC001675522310 1357000017 /nfs/dbraw/zinc/00/00/17/1357000017.db2.gz LUCIGDUJBAUZHG-NNZMDNLPSA-N 2 0 331.504 2.265 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966275 1357079250 /nfs/dbraw/zinc/07/92/50/1357079250.db2.gz NICLGYXYPCNKHS-GDBMZVCRSA-N 2 0 347.507 2.062 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001690773984 1404937395 /nfs/dbraw/zinc/93/73/95/1404937395.db2.gz BHGTYLNKSSZMDW-SJORKVTESA-N 2 0 349.519 2.201 10 0 EEAERP COCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001698993635 1405208117 /nfs/dbraw/zinc/20/81/17/1405208117.db2.gz MYXCNLVHXXJDKA-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001699259094 1405299494 /nfs/dbraw/zinc/29/94/94/1405299494.db2.gz JPROQRLQKIKJID-ZMGAVLDPSA-N 2 0 329.488 2.406 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001699545303 1405379847 /nfs/dbraw/zinc/37/98/47/1405379847.db2.gz LYJODSHOVLFUPC-CQSZACIVSA-N 2 0 326.510 2.038 10 0 EEAERP C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699947487 1405598245 /nfs/dbraw/zinc/59/82/45/1405598245.db2.gz DZQAUXQWMDBBTJ-DLBZAZTESA-N 2 0 332.492 2.140 10 0 EEAERP COC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000925811848 777590402 /nfs/dbraw/zinc/59/04/02/777590402.db2.gz SRBMCBWANWBMKG-MRXNPFEDSA-N 2 0 345.409 2.406 10 0 EEAERP C[NH+]1CCN(Cc2ccccc2-c2cnc([C@@H]3CCC[NH2+]3)nc2)CC1 ZINC000906177151 783747606 /nfs/dbraw/zinc/74/76/06/783747606.db2.gz RCXQTBAYNOUYQP-IBGZPJMESA-N 2 0 337.471 2.316 10 0 EEAERP O=C(N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000911573302 787548167 /nfs/dbraw/zinc/54/81/67/787548167.db2.gz KUSIDNCFOAUMAM-MOPGFXCFSA-N 2 0 339.483 2.350 10 0 EEAERP O=C([C@H](c1ccccc1)N1CCSCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918613 788476506 /nfs/dbraw/zinc/47/65/06/788476506.db2.gz GNFDWUOHPLLFSH-ROUUACIJSA-N 2 0 345.512 2.083 10 0 EEAERP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000913390646 788823340 /nfs/dbraw/zinc/82/33/40/788823340.db2.gz VLOWNNMOZGQLPG-GOSISDBHSA-N 2 0 329.488 2.451 10 0 EEAERP CN1CC[NH+](CCCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921529221 789041384 /nfs/dbraw/zinc/04/13/84/789041384.db2.gz YZCZIRMJGHLFEA-UHFFFAOYSA-N 2 0 325.888 2.058 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000844401585 789068813 /nfs/dbraw/zinc/06/88/13/789068813.db2.gz MXYILVFLIDRXDZ-WOJBJXKFSA-N 2 0 329.488 2.058 10 0 EEAERP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000923388048 789484269 /nfs/dbraw/zinc/48/42/69/789484269.db2.gz MZSYHWNPRFQJKL-OALUTQOASA-N 2 0 332.488 2.446 10 0 EEAERP CCCCN(CCCC)C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455338 789571493 /nfs/dbraw/zinc/57/14/93/789571493.db2.gz SRJFTFMFAPDMDU-KRWDZBQOSA-N 2 0 339.524 2.245 10 0 EEAERP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)CCC3(O)CCC3)C2)CC1 ZINC000929422230 792172610 /nfs/dbraw/zinc/17/26/10/792172610.db2.gz QVKZZVJCVACFKE-RTBURBONSA-N 2 0 338.536 2.486 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000913939947 794622281 /nfs/dbraw/zinc/62/22/81/794622281.db2.gz QDTHSUSVCBBQCU-QAPCUYQASA-N 2 0 330.476 2.174 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCCCC1 ZINC000714238771 794897586 /nfs/dbraw/zinc/89/75/86/794897586.db2.gz ORALDTMCYYHKTM-ZWKOTPCHSA-N 2 0 345.487 2.054 10 0 EEAERP [NH3+]C1CC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000714995865 795184951 /nfs/dbraw/zinc/18/49/51/795184951.db2.gz OXEUMUONMLUGFP-MKCYZYCBSA-N 2 0 327.472 2.237 10 0 EEAERP CO[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C12CCC2 ZINC000453118273 799134294 /nfs/dbraw/zinc/13/42/94/799134294.db2.gz LFZLESIXKLFHMG-ROUUACIJSA-N 2 0 335.536 2.484 10 0 EEAERP C[C@H]1[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000922558806 801293235 /nfs/dbraw/zinc/29/32/35/801293235.db2.gz WYFXLOJAHKTKDZ-WMLDXEAASA-N 2 0 336.911 2.274 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001565977933 1125479935 /nfs/dbraw/zinc/47/99/35/1125479935.db2.gz PHTRRURIZJTNQJ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001566484499 1125646964 /nfs/dbraw/zinc/64/69/64/1125646964.db2.gz LVMSBMAHZXLMLL-HOCLYGCPSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)oc1C ZINC001436421599 1087783089 /nfs/dbraw/zinc/78/30/89/1087783089.db2.gz MSSOEERNAGVXFN-GVDBMIGSSA-N 2 0 348.491 2.008 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)CC(C)(C)C1 ZINC001436502313 1088033150 /nfs/dbraw/zinc/03/31/50/1088033150.db2.gz XPBACVVDJZRQGX-MRXNPFEDSA-N 2 0 332.492 2.140 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001436901976 1088557377 /nfs/dbraw/zinc/55/73/77/1088557377.db2.gz QZIXXJRBKFEZCD-MVJPYGJCSA-N 2 0 343.515 2.369 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3C[N@H+](C/C=C\Cl)CC[C@@H]32)CC1 ZINC001436946120 1088627078 /nfs/dbraw/zinc/62/70/78/1088627078.db2.gz QXZGKHJRDHRKPK-LFWKBAGKSA-N 2 0 339.911 2.394 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)s2)C1)C1CCC1 ZINC001436953697 1088641114 /nfs/dbraw/zinc/64/11/14/1088641114.db2.gz LGKUZXYFCPKRRY-PHIMTYICSA-N 2 0 342.896 2.018 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCC[NH+](CCF)C1 ZINC001436990229 1088705368 /nfs/dbraw/zinc/70/53/68/1088705368.db2.gz HACYMUNLWRRWBW-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001437193032 1089240579 /nfs/dbraw/zinc/24/05/79/1089240579.db2.gz FGHNTTQKDXDXEW-BLLLJJGKSA-N 2 0 339.430 2.388 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001437339081 1089532345 /nfs/dbraw/zinc/53/23/45/1089532345.db2.gz XCFACJZNXLPCOO-IAGOWNOFSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001437420986 1089706545 /nfs/dbraw/zinc/70/65/45/1089706545.db2.gz GEOJSOFXHAHQFD-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCOC1CCC1 ZINC001437624907 1090135910 /nfs/dbraw/zinc/13/59/10/1090135910.db2.gz GOKNFFDECUHYRK-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cnccc1C ZINC001437626204 1090139984 /nfs/dbraw/zinc/13/99/84/1090139984.db2.gz QPJKVWIATXHXIL-RTBURBONSA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cc2ccccc2o1 ZINC001437637772 1090153699 /nfs/dbraw/zinc/15/36/99/1090153699.db2.gz IRTGTYCIJMSQJU-UHFFFAOYSA-N 2 0 341.455 2.467 10 0 EEAERP CCCN(CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1cnoc1C ZINC001437768975 1090350067 /nfs/dbraw/zinc/35/00/67/1090350067.db2.gz QEZNWJLZOQSUAF-GASCZTMLSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[N@@H+](C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001437819907 1090413436 /nfs/dbraw/zinc/41/34/36/1090413436.db2.gz NSESTNPKKCWIIL-HNNXBMFYSA-N 2 0 343.462 2.488 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001437963996 1090559119 /nfs/dbraw/zinc/55/91/19/1090559119.db2.gz ZGAWNJCJFOFKPU-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(C[NH+]2CC(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)cs1 ZINC001438155999 1090670700 /nfs/dbraw/zinc/67/07/00/1090670700.db2.gz DSIYQICVMMTFGT-ZIAGYGMSSA-N 2 0 335.517 2.477 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438161099 1090673838 /nfs/dbraw/zinc/67/38/38/1090673838.db2.gz QZCLMQBXZJXUSW-HOTGVXAUSA-N 2 0 333.520 2.488 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001438242964 1090724305 /nfs/dbraw/zinc/72/43/05/1090724305.db2.gz PPNODUJDCLNFJQ-PXNSSMCTSA-N 2 0 343.515 2.276 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cccc(OC)c1 ZINC001438291888 1090773142 /nfs/dbraw/zinc/77/31/42/1090773142.db2.gz CEVJCRHUJLGOFN-NZSAHSFTSA-N 2 0 347.503 2.410 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001438372461 1090852250 /nfs/dbraw/zinc/85/22/50/1090852250.db2.gz GODOVYURRATQGK-CRAIPNDOSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ncc(C[NH+]2CCC(CCNC(=O)C3(C[NH+](C)C)CC3)CC2)o1 ZINC001438456932 1090966700 /nfs/dbraw/zinc/96/67/00/1090966700.db2.gz RPEOTLUDRABDGF-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001438549786 1091042063 /nfs/dbraw/zinc/04/20/63/1091042063.db2.gz JUQCZLPIKCZVJT-VQIMIIECSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001438650335 1091134706 /nfs/dbraw/zinc/13/47/06/1091134706.db2.gz ZSBWLUGICUQCCZ-CRAIPNDOSA-N 2 0 347.478 2.412 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445547628 1091317404 /nfs/dbraw/zinc/31/74/04/1091317404.db2.gz PAUWZILPRMKXHK-XJKSGUPXSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H](CNCc1noc2c1CCCC2)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445591289 1091381110 /nfs/dbraw/zinc/38/11/10/1091381110.db2.gz GSOVQVXATWNUSI-AWEZNQCLSA-N 2 0 348.491 2.022 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001445592391 1091383509 /nfs/dbraw/zinc/38/35/09/1091383509.db2.gz BOQBUWIJFPVDAN-LPHOPBHVSA-N 2 0 344.503 2.473 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001438804915 1091413240 /nfs/dbraw/zinc/41/32/40/1091413240.db2.gz DYPUGQGAVAAIBZ-CABCVRRESA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccns1 ZINC001438805384 1091413347 /nfs/dbraw/zinc/41/33/47/1091413347.db2.gz ASZGQGIFWMJHPC-DZKIICNBSA-N 2 0 338.521 2.104 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2coc(C)n2)C1 ZINC001438852579 1091488536 /nfs/dbraw/zinc/48/85/36/1091488536.db2.gz RDSCJROMYQSFKM-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438956912 1091649007 /nfs/dbraw/zinc/64/90/07/1091649007.db2.gz FMKXYGGZPIFWGX-CABCVRRESA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439154984 1091796623 /nfs/dbraw/zinc/79/66/23/1091796623.db2.gz QMWHUQJJDCMJED-DLBZAZTESA-N 2 0 347.503 2.410 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cncs1 ZINC001445887849 1091815502 /nfs/dbraw/zinc/81/55/02/1091815502.db2.gz CTUSIFFBDNEVCW-HOCLYGCPSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(Cl)s1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439412041 1092179067 /nfs/dbraw/zinc/17/90/67/1092179067.db2.gz SIPYODVJMPJOJW-NEPJUHHUSA-N 2 0 329.897 2.290 10 0 EEAERP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001439477081 1092275509 /nfs/dbraw/zinc/27/55/09/1092275509.db2.gz XWHURBTYCGOIKV-CJNGLKHVSA-N 2 0 344.459 2.325 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001446254378 1092382918 /nfs/dbraw/zinc/38/29/18/1092382918.db2.gz YLRPAKFBMVGGMK-MSOLQXFVSA-N 2 0 342.487 2.145 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2C[C@H]2CCCC(F)(F)C2)CCC1 ZINC001439533683 1092393629 /nfs/dbraw/zinc/39/36/29/1092393629.db2.gz WOLQCXSBQGMIQG-LSDHHAIUSA-N 2 0 343.462 2.487 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439562460 1092441424 /nfs/dbraw/zinc/44/14/24/1092441424.db2.gz RKIUEGMBSWRCLH-HZPDHXFCSA-N 2 0 343.462 2.344 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4CC(C)(C)C4)C[C@H]32)C1 ZINC001448472109 1093486353 /nfs/dbraw/zinc/48/63/53/1093486353.db2.gz VMXVRNRPLBGFAE-DDBAPUKQSA-N 2 0 333.520 2.058 10 0 EEAERP CC[C@@H](F)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001448489252 1093515144 /nfs/dbraw/zinc/51/51/44/1093515144.db2.gz OPSVQYUFDPTPAV-NXHRZFHOSA-N 2 0 327.488 2.247 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001440360670 1093521843 /nfs/dbraw/zinc/52/18/43/1093521843.db2.gz GRKJRXRRWXRLKO-SAABIXHNSA-N 2 0 345.487 2.084 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001440537254 1093801084 /nfs/dbraw/zinc/80/10/84/1093801084.db2.gz KBXHTOVYEILJSX-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001448778772 1093858271 /nfs/dbraw/zinc/85/82/71/1093858271.db2.gz WRCGKBNWXFUFCE-WMZOPIPTSA-N 2 0 343.515 2.454 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncccc1C ZINC001448785968 1093865031 /nfs/dbraw/zinc/86/50/31/1093865031.db2.gz YKPFRSDJBMOMAC-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+]3CCCC3)CC2)o1 ZINC001440614075 1093879898 /nfs/dbraw/zinc/87/98/98/1093879898.db2.gz VCMBGPFBCADJCX-UHFFFAOYSA-N 2 0 348.491 2.330 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC001440757226 1093999895 /nfs/dbraw/zinc/99/98/95/1093999895.db2.gz SNFIHLZYDKGWLK-UHFFFAOYSA-N 2 0 341.858 2.415 10 0 EEAERP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCF)CC2)CC(C)(C)C ZINC001449017426 1094019475 /nfs/dbraw/zinc/01/94/75/1094019475.db2.gz UGJNLBLKLFZHTN-MAUKXSAKSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001440837856 1094091665 /nfs/dbraw/zinc/09/16/65/1094091665.db2.gz PFHCMELAHSFFCP-HZPDHXFCSA-N 2 0 332.492 2.185 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001440841219 1094096991 /nfs/dbraw/zinc/09/69/91/1094096991.db2.gz VDDLZNCIIVIIRN-DLBZAZTESA-N 2 0 347.503 2.410 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001440941697 1094193331 /nfs/dbraw/zinc/19/33/31/1094193331.db2.gz VPTCHTLEXPBXHZ-INIZCTEOSA-N 2 0 347.503 2.254 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001441032293 1094324856 /nfs/dbraw/zinc/32/48/56/1094324856.db2.gz IOKUEZCPCKMOFF-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccnc1C ZINC001441040430 1094334081 /nfs/dbraw/zinc/33/40/81/1094334081.db2.gz VQIKUXLXMRAFQR-YJBOKZPZSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001449372714 1094340927 /nfs/dbraw/zinc/34/09/27/1094340927.db2.gz MGFHSSYYADOOEF-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C2(NC(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001449411721 1094395052 /nfs/dbraw/zinc/39/50/52/1094395052.db2.gz QNSQVAYXJIPVRF-MRXNPFEDSA-N 2 0 327.488 2.437 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1conc1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441111108 1094425737 /nfs/dbraw/zinc/42/57/37/1094425737.db2.gz HUIVPJKFXFUJJF-ROUUACIJSA-N 2 0 348.491 2.089 10 0 EEAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCOC(C)C)CC1 ZINC001441159096 1094503591 /nfs/dbraw/zinc/50/35/91/1094503591.db2.gz UREUMPGDEWIECK-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001441315841 1094770162 /nfs/dbraw/zinc/77/01/62/1094770162.db2.gz YALQVVTYMOFJON-LDLYASANSA-N 2 0 329.488 2.049 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCC(C)CC1 ZINC001441345688 1094853484 /nfs/dbraw/zinc/85/34/84/1094853484.db2.gz ZRMMJGWKJKWKKJ-IAGOWNOFSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@@H]2CCOC2)CC1)[NH+](CC)CC ZINC001441389851 1094947526 /nfs/dbraw/zinc/94/75/26/1094947526.db2.gz VFQMYNLZFDFXBU-WMZOPIPTSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)[NH+](C)C ZINC001441474049 1095139971 /nfs/dbraw/zinc/13/99/71/1095139971.db2.gz PASUCUARNFUQRY-RBUKOAKNSA-N 2 0 346.519 2.365 10 0 EEAERP Cc1cccnc1C[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441578207 1095374302 /nfs/dbraw/zinc/37/43/02/1095374302.db2.gz DLHWXDPQXPMOHC-ROUUACIJSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001441624012 1095499208 /nfs/dbraw/zinc/49/92/08/1095499208.db2.gz WXBTURPDOMSVDD-SFHVURJKSA-N 2 0 346.519 2.368 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001441855051 1095943835 /nfs/dbraw/zinc/94/38/35/1095943835.db2.gz GFPOPJIXFMKTPV-FHLIZLRMSA-N 2 0 332.492 2.023 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442006662 1096210634 /nfs/dbraw/zinc/21/06/34/1096210634.db2.gz HYGZGCZRXMHTEN-SJORKVTESA-N 2 0 347.503 2.410 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001442249333 1096550978 /nfs/dbraw/zinc/55/09/78/1096550978.db2.gz BWEMYCUAMFSXSR-YJBOKZPZSA-N 2 0 347.478 2.460 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1)[NH+]1CCCC1 ZINC001442260127 1096563021 /nfs/dbraw/zinc/56/30/21/1096563021.db2.gz PCNCXGKEIJWRQY-CTWPCTMYSA-N 2 0 344.503 2.281 10 0 EEAERP COc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)cc1 ZINC001442550563 1096913105 /nfs/dbraw/zinc/91/31/05/1096913105.db2.gz CVPGRQTXNBVTFE-IEBWSBKVSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@H](c1ccc(F)cc1F)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442570162 1096934414 /nfs/dbraw/zinc/93/44/14/1096934414.db2.gz AKQZCOROPHWVAT-KGLIPLIRSA-N 2 0 339.430 2.416 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001442913701 1097321431 /nfs/dbraw/zinc/32/14/31/1097321431.db2.gz YSCXFHNYBFNWEM-MRXNPFEDSA-N 2 0 335.467 2.412 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(F)cc1 ZINC001442955404 1097373264 /nfs/dbraw/zinc/37/32/64/1097373264.db2.gz ZASMSDNRUJQEHV-QGZVFWFLSA-N 2 0 335.467 2.496 10 0 EEAERP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001443618219 1098114687 /nfs/dbraw/zinc/11/46/87/1098114687.db2.gz XDGLZRKBGMOLGF-JKSUJKDBSA-N 2 0 345.487 2.146 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001443821575 1098324044 /nfs/dbraw/zinc/32/40/44/1098324044.db2.gz YKGUHZPKAPBXGY-IAGOWNOFSA-N 2 0 348.491 2.199 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001443821585 1098324237 /nfs/dbraw/zinc/32/42/37/1098324237.db2.gz YKGUHZPKAPBXGY-SJORKVTESA-N 2 0 348.491 2.199 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC001443861753 1098385504 /nfs/dbraw/zinc/38/55/04/1098385504.db2.gz SVBFUOQPSKSVOQ-GOSISDBHSA-N 2 0 347.503 2.378 10 0 EEAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001443875654 1098401598 /nfs/dbraw/zinc/40/15/98/1098401598.db2.gz ZJOJBQJVUXTVFX-OALUTQOASA-N 2 0 344.503 2.379 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1sc(C)nc1C ZINC001444038240 1098557829 /nfs/dbraw/zinc/55/78/29/1098557829.db2.gz ORZZUEVWMDOQEV-LSDHHAIUSA-N 2 0 338.521 2.086 10 0 EEAERP O=C(NC1(C[NH2+]Cc2cncs2)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001444058637 1098582430 /nfs/dbraw/zinc/58/24/30/1098582430.db2.gz BJYVVIPOQMOXPY-MRXNPFEDSA-N 2 0 348.516 2.004 10 0 EEAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001479528216 1098595248 /nfs/dbraw/zinc/59/52/48/1098595248.db2.gz KNVOWPPFWDDUSH-WMZOPIPTSA-N 2 0 349.523 2.075 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)sn1 ZINC001479693289 1098759504 /nfs/dbraw/zinc/75/95/04/1098759504.db2.gz WNSCUKUSCYTWJV-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001479709386 1098789092 /nfs/dbraw/zinc/78/90/92/1098789092.db2.gz SXFFIIUPFYYDQG-OCCSQVGLSA-N 2 0 329.435 2.095 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(F)cn1 ZINC001479777919 1098959934 /nfs/dbraw/zinc/95/99/34/1098959934.db2.gz HHZTVUPXTYKJJL-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP CCc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001444384493 1098970991 /nfs/dbraw/zinc/97/09/91/1098970991.db2.gz FTUYBEGTRMTZEA-MRXNPFEDSA-N 2 0 329.488 2.187 10 0 EEAERP CC(C)CCC[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001444451801 1099097877 /nfs/dbraw/zinc/09/78/77/1099097877.db2.gz QPOMXXQZHMGXHK-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H]1CC[C@@H](C)O1 ZINC001479850487 1099148202 /nfs/dbraw/zinc/14/82/02/1099148202.db2.gz BYZCURIMQTXFEH-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CCO[C@H](C)C2)CCCC1 ZINC001444540031 1099320537 /nfs/dbraw/zinc/32/05/37/1099320537.db2.gz YAEFXGUWBSLBAU-SJORKVTESA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444667106 1099506659 /nfs/dbraw/zinc/50/66/59/1099506659.db2.gz PCHWZKGNDDICTP-HZPDHXFCSA-N 2 0 335.467 2.434 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001480047750 1099553240 /nfs/dbraw/zinc/55/32/40/1099553240.db2.gz VMSZBEDNPLLWRL-CRAIPNDOSA-N 2 0 325.472 2.093 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480131379 1099695700 /nfs/dbraw/zinc/69/57/00/1099695700.db2.gz IQYAEOUGWUAIBH-GUDVDZBRSA-N 2 0 329.488 2.259 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC001444790621 1099702768 /nfs/dbraw/zinc/70/27/68/1099702768.db2.gz SWHZWPSTNCCVDS-WMZOPIPTSA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001480187501 1099781728 /nfs/dbraw/zinc/78/17/28/1099781728.db2.gz CUQKTWXIFQVPSB-ZWKOTPCHSA-N 2 0 339.524 2.065 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001480233413 1099859505 /nfs/dbraw/zinc/85/95/05/1099859505.db2.gz AEZRNXWXQBXXLN-SOUVJXGZSA-N 2 0 331.451 2.391 10 0 EEAERP CO[C@@H](C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C)C1CCC1 ZINC001444978535 1100105290 /nfs/dbraw/zinc/10/52/90/1100105290.db2.gz DIFFFYWJZOOYFX-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001480357270 1100128575 /nfs/dbraw/zinc/12/85/75/1100128575.db2.gz QTWKIWUIZXLFNX-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001480368163 1100143195 /nfs/dbraw/zinc/14/31/95/1100143195.db2.gz SIABLTZCKLXAFZ-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1oc(CC)nc1C ZINC001480471136 1100277508 /nfs/dbraw/zinc/27/75/08/1100277508.db2.gz AHQJEBHDHBBPSG-HIFRSBDPSA-N 2 0 336.480 2.014 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC001480472067 1100278427 /nfs/dbraw/zinc/27/84/27/1100278427.db2.gz MUOBMYVFIVQKTB-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001480480325 1100289162 /nfs/dbraw/zinc/28/91/62/1100289162.db2.gz QQORCKKJUYVCQU-DOTOQJQBSA-N 2 0 333.476 2.164 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001480547484 1100382640 /nfs/dbraw/zinc/38/26/40/1100382640.db2.gz AWNIMGBBEJKIPH-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001480596433 1100444673 /nfs/dbraw/zinc/44/46/73/1100444673.db2.gz JQAFBZHNKMKVKW-KRWDZBQOSA-N 2 0 346.519 2.223 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001446522905 1100978400 /nfs/dbraw/zinc/97/84/00/1100978400.db2.gz AWGLWGQBYROUIV-UYAOXDASSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]CCCO)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001495320781 1101025409 /nfs/dbraw/zinc/02/54/09/1101025409.db2.gz LKZRINMXKVDEET-QFBILLFUSA-N 2 0 341.540 2.001 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001495348712 1101060951 /nfs/dbraw/zinc/06/09/51/1101060951.db2.gz YPLSUZKGOXAGTL-IEBWSBKVSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)s1 ZINC001496481072 1101072076 /nfs/dbraw/zinc/07/20/76/1101072076.db2.gz NDMITCVNWLYJGA-CJNGLKHVSA-N 2 0 338.521 2.120 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001496488863 1101080462 /nfs/dbraw/zinc/08/04/62/1101080462.db2.gz CPEZCYXADBEFAU-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC[C@H](C)F ZINC001496570344 1101171161 /nfs/dbraw/zinc/17/11/61/1101171161.db2.gz NBDLFBPOIWDKQZ-HOTGVXAUSA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccn1 ZINC001496599217 1101200450 /nfs/dbraw/zinc/20/04/50/1101200450.db2.gz QSMUUEFIICKKHG-XYJFISCASA-N 2 0 332.492 2.042 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CC[C@@H]1CCOC1 ZINC001495667361 1101408957 /nfs/dbraw/zinc/40/89/57/1101408957.db2.gz QKZOAFJRMHRBAN-DLBZAZTESA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001496770110 1101435217 /nfs/dbraw/zinc/43/52/17/1101435217.db2.gz PCEGFIBDTYFFEN-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001446965705 1101673423 /nfs/dbraw/zinc/67/34/23/1101673423.db2.gz BYQBXJUTAMLRBO-WBVHZDCISA-N 2 0 335.467 2.352 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCCF)C1CC[NH+](CC2CC2)CC1 ZINC001496911072 1101708457 /nfs/dbraw/zinc/70/84/57/1101708457.db2.gz YPKKJLOVWXPLCC-ZWKOTPCHSA-N 2 0 339.499 2.343 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCO)cc1 ZINC001447091061 1101972810 /nfs/dbraw/zinc/97/28/10/1101972810.db2.gz UVBHAXVYCSWKKM-LPHOPBHVSA-N 2 0 347.503 2.209 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001496079984 1102023178 /nfs/dbraw/zinc/02/31/78/1102023178.db2.gz OJZJYGCYAHUPDV-FUHWJXTLSA-N 2 0 349.523 2.275 10 0 EEAERP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)N(C)C(=O)Cc1ncc[nH]1 ZINC001496194346 1102200082 /nfs/dbraw/zinc/20/00/82/1102200082.db2.gz UAROAVSGCSGMNE-MEDUHNTESA-N 2 0 348.397 2.354 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)cn1 ZINC001447293572 1102380468 /nfs/dbraw/zinc/38/04/68/1102380468.db2.gz CENWZXVREFPGKF-IAGOWNOFSA-N 2 0 347.507 2.159 10 0 EEAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)COC1CC[NH+](C)CC1 ZINC001497472462 1102544160 /nfs/dbraw/zinc/54/41/60/1102544160.db2.gz HGTBDONHTPAGRP-UHFFFAOYSA-N 2 0 337.508 2.036 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CC(OCC)C2)CC1 ZINC001447565205 1102871171 /nfs/dbraw/zinc/87/11/71/1102871171.db2.gz MUSNGEOLLLEEOR-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH+]2CCC3(CCN(C(=O)CC[NH+](C)C)CC3)CC2)no1 ZINC001447698460 1103130436 /nfs/dbraw/zinc/13/04/36/1103130436.db2.gz JZFUXNQDDDHURP-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC2CC(NC(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC001447797350 1103357800 /nfs/dbraw/zinc/35/78/00/1103357800.db2.gz JEAYKPSJYZWMGT-WLYUNCDWSA-N 2 0 334.464 2.013 10 0 EEAERP Cc1conc1C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494067572 1103463249 /nfs/dbraw/zinc/46/32/49/1103463249.db2.gz PVFOHICKEYCOMZ-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1ocnc1C ZINC001448287187 1104324259 /nfs/dbraw/zinc/32/42/59/1104324259.db2.gz XXIHADPAPZQIBM-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001497983951 1106737465 /nfs/dbraw/zinc/73/74/65/1106737465.db2.gz SZMNPDXJWBZXNL-BOYDOFOJSA-N 2 0 345.487 2.145 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1)[NH+]1CCCC1 ZINC001480597917 1106737592 /nfs/dbraw/zinc/73/75/92/1106737592.db2.gz WHOZDQCWQYONFM-HKUYNNGSSA-N 2 0 331.504 2.444 10 0 EEAERP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480695186 1106899821 /nfs/dbraw/zinc/89/98/21/1106899821.db2.gz LRGOGSVAVWMMHI-HOTGVXAUSA-N 2 0 344.459 2.310 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001480702641 1106917347 /nfs/dbraw/zinc/91/73/47/1106917347.db2.gz SMPUWODUPANMFY-GJZGRUSLSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001480716565 1106948151 /nfs/dbraw/zinc/94/81/51/1106948151.db2.gz KTQUPNYVRXWBPF-CRAIPNDOSA-N 2 0 335.467 2.135 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480794037 1107128439 /nfs/dbraw/zinc/12/84/39/1107128439.db2.gz UWMHTWAEWHUSHE-RHSMWYFYSA-N 2 0 336.480 2.230 10 0 EEAERP Cc1ncccc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001498324079 1107295014 /nfs/dbraw/zinc/29/50/14/1107295014.db2.gz APJKQVYKDOEQNI-LPHOPBHVSA-N 2 0 346.519 2.447 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001493120651 1107536984 /nfs/dbraw/zinc/53/69/84/1107536984.db2.gz PJAUUFGLXLCFJE-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP CN(CCC[NH2+]CCc1ccccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498654710 1107902147 /nfs/dbraw/zinc/90/21/47/1107902147.db2.gz HWWMELVKFQYOBO-MRXNPFEDSA-N 2 0 337.895 2.272 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493574458 1108341599 /nfs/dbraw/zinc/34/15/99/1108341599.db2.gz JCUKCPDLZVBSCI-UHFFFAOYSA-N 2 0 336.480 2.139 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1C[C@@H]1CCC(F)(F)C1 ZINC001499107320 1108599760 /nfs/dbraw/zinc/59/97/60/1108599760.db2.gz QJXLIYLDSNIBCJ-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001464108251 1110387625 /nfs/dbraw/zinc/38/76/25/1110387625.db2.gz WRNSPVGQYUYKOR-ROUUACIJSA-N 2 0 333.451 2.201 10 0 EEAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC001471871529 1110534105 /nfs/dbraw/zinc/53/41/05/1110534105.db2.gz REBQBANTKDGEGF-SJORKVTESA-N 2 0 339.549 2.050 10 0 EEAERP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+]1C ZINC001479396574 1110691034 /nfs/dbraw/zinc/69/10/34/1110691034.db2.gz OFSUWBXFIPAPMN-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC[C@@H]3CCCC3(F)F)CC2)C1 ZINC001499351471 1112245678 /nfs/dbraw/zinc/24/56/78/1112245678.db2.gz BCYZUASCMPHRJG-GJZGRUSLSA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2([NH2+]C/C=C/Cl)CC2)C1 ZINC001499352705 1112246871 /nfs/dbraw/zinc/24/68/71/1112246871.db2.gz SFAFWEXCSAIXLX-KZJSRBBCSA-N 2 0 331.863 2.190 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](CCCF)CC2CC2)CC1 ZINC001499530531 1112346705 /nfs/dbraw/zinc/34/67/05/1112346705.db2.gz SJUJQWCUMVEOCM-UHFFFAOYSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1cccnc1C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001499585381 1112389603 /nfs/dbraw/zinc/38/96/03/1112389603.db2.gz UYISQSQGWDROOO-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499615615 1112413240 /nfs/dbraw/zinc/41/32/40/1112413240.db2.gz FLTNTZGYSPUTIC-WMZOPIPTSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)c(C)o1 ZINC001499858064 1112517062 /nfs/dbraw/zinc/51/70/62/1112517062.db2.gz QUXKANVVWDIQCI-CJNGLKHVSA-N 2 0 336.480 2.101 10 0 EEAERP C[C@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402144 1112804821 /nfs/dbraw/zinc/80/48/21/1112804821.db2.gz NJSHVKOVYSSZTC-HXUWFJFHSA-N 2 0 329.488 2.153 10 0 EEAERP COCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001501063383 1113186205 /nfs/dbraw/zinc/18/62/05/1113186205.db2.gz SHFBPJXEAXBYCJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001501150094 1113216060 /nfs/dbraw/zinc/21/60/60/1113216060.db2.gz LKHILQCBKZWPCG-RDJZCZTQSA-N 2 0 335.467 2.352 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501396015 1113341779 /nfs/dbraw/zinc/34/17/79/1113341779.db2.gz SBANTQYVAZPOQF-MSOLQXFVSA-N 2 0 348.491 2.144 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCO)cc1 ZINC001501681828 1113432698 /nfs/dbraw/zinc/43/26/98/1113432698.db2.gz RJKYNWDNVVAMOM-QFBILLFUSA-N 2 0 347.503 2.210 10 0 EEAERP CCC(CC)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001501784368 1113476035 /nfs/dbraw/zinc/47/60/35/1113476035.db2.gz SQYJJFNDKYZWDU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC001502028993 1113564191 /nfs/dbraw/zinc/56/41/91/1113564191.db2.gz HZLAXDKCQQFEBA-UHFFFAOYSA-N 2 0 348.466 2.225 10 0 EEAERP C[C@@H]([NH2+]CCc1cccs1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001505646491 1114106229 /nfs/dbraw/zinc/10/62/29/1114106229.db2.gz SBLWFNGDMNHPTR-CABCVRRESA-N 2 0 335.517 2.402 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001505733436 1114157754 /nfs/dbraw/zinc/15/77/54/1114157754.db2.gz SVDAZXMPZTWJDO-LSDHHAIUSA-N 2 0 333.451 2.213 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001505762018 1114175372 /nfs/dbraw/zinc/17/53/72/1114175372.db2.gz XQIKGEPFKYGWHK-KBPBESRZSA-N 2 0 344.459 2.341 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001506478649 1114637518 /nfs/dbraw/zinc/63/75/18/1114637518.db2.gz AQCZMZWNJBBELU-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CCCCCF)C[C@]2(C)C1 ZINC001506868275 1114937565 /nfs/dbraw/zinc/93/75/65/1114937565.db2.gz HFUDRGSWAHNZMD-HDICACEKSA-N 2 0 327.488 2.248 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506951864 1115000153 /nfs/dbraw/zinc/00/01/53/1115000153.db2.gz ROOOGOITHZTCJW-SJLPKXTDSA-N 2 0 346.519 2.079 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001507035096 1115071241 /nfs/dbraw/zinc/07/12/41/1115071241.db2.gz DVHTZTSNEHCCNQ-QGZVFWFLSA-N 2 0 335.517 2.213 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001507034601 1115071575 /nfs/dbraw/zinc/07/15/75/1115071575.db2.gz SRGKRDOWYPUHJG-XJKSGUPXSA-N 2 0 343.462 2.200 10 0 EEAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C2CC2)no1 ZINC001507085405 1115099988 /nfs/dbraw/zinc/09/99/88/1115099988.db2.gz MSKPVIJOUGIYAM-GDBMZVCRSA-N 2 0 348.491 2.363 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCOC1CCC1 ZINC001507129625 1115124138 /nfs/dbraw/zinc/12/41/38/1115124138.db2.gz JZQOELVPTVQSTO-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001507163339 1115142238 /nfs/dbraw/zinc/14/22/38/1115142238.db2.gz UNVKCIVQUNTKLY-QWHCGFSZSA-N 2 0 338.323 2.347 10 0 EEAERP C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001507244962 1115160292 /nfs/dbraw/zinc/16/02/92/1115160292.db2.gz YPXXMRKSJPNISZ-SJORKVTESA-N 2 0 341.540 2.144 10 0 EEAERP COCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001507345483 1115208009 /nfs/dbraw/zinc/20/80/09/1115208009.db2.gz NUZACRGSTVIUCG-ZHALLVOQSA-N 2 0 337.508 2.009 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001507426051 1115262492 /nfs/dbraw/zinc/26/24/92/1115262492.db2.gz DYHHKRZYZQYFAJ-IRXDYDNUSA-N 2 0 348.491 2.234 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CCOc2ccccc2)C1 ZINC001507427795 1115263303 /nfs/dbraw/zinc/26/33/03/1115263303.db2.gz LIHDBNUFTCSOTJ-MSOLQXFVSA-N 2 0 345.487 2.036 10 0 EEAERP CN(C)c1ccccc1C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507444633 1115272959 /nfs/dbraw/zinc/27/29/59/1115272959.db2.gz WFQKUZOPDAVALJ-SFHVURJKSA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC2(C)C)n1 ZINC001507453232 1115278290 /nfs/dbraw/zinc/27/82/90/1115278290.db2.gz CUGKFPXBSYLLEN-QGZVFWFLSA-N 2 0 349.523 2.131 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001568059771 1124264590 /nfs/dbraw/zinc/26/45/90/1124264590.db2.gz ALVVXZWNYXYPSB-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001568068522 1124274395 /nfs/dbraw/zinc/27/43/95/1124274395.db2.gz YPHMVKMMXGAYHS-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1)[NH+](C)C ZINC001568094358 1124297996 /nfs/dbraw/zinc/29/79/96/1124297996.db2.gz ZVKOMAALEJHIJB-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]CC[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001568093984 1124298271 /nfs/dbraw/zinc/29/82/71/1124298271.db2.gz MOINWVBOAGQJMH-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001568096831 1124300615 /nfs/dbraw/zinc/30/06/15/1124300615.db2.gz LZRGJZULCPODTH-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001568098475 1124302017 /nfs/dbraw/zinc/30/20/17/1124302017.db2.gz VTEUBMAONLUGQA-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001568281895 1124402639 /nfs/dbraw/zinc/40/26/39/1124402639.db2.gz YZNLCNUDJUHQDV-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300146 1124411136 /nfs/dbraw/zinc/41/11/36/1124411136.db2.gz LDLSUSHMZVKMHW-PSYXSKQDSA-N 2 0 333.879 2.388 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001568359173 1124436671 /nfs/dbraw/zinc/43/66/71/1124436671.db2.gz HUYCYPZRAMSUNI-KBXCAEBGSA-N 2 0 344.459 2.119 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568385913 1124455910 /nfs/dbraw/zinc/45/59/10/1124455910.db2.gz QJDSXVOEWZMTKN-FHLIZLRMSA-N 2 0 348.491 2.184 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001568412137 1124481323 /nfs/dbraw/zinc/48/13/23/1124481323.db2.gz OCSKIVAEXXOTMW-DLBZAZTESA-N 2 0 349.523 2.075 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001568632586 1124646981 /nfs/dbraw/zinc/64/69/81/1124646981.db2.gz OJBVISDALHUDFC-IIDMSEBBSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(C(C)(C)C)on1)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699083 1124713587 /nfs/dbraw/zinc/71/35/87/1124713587.db2.gz MCIQEGCHEBMOSM-AWEZNQCLSA-N 2 0 348.491 2.052 10 0 EEAERP C[C@@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568708142 1124724832 /nfs/dbraw/zinc/72/48/32/1124724832.db2.gz AUXVCCMXEGCWJE-NWDGAFQWSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568851630 1124872452 /nfs/dbraw/zinc/87/24/52/1124872452.db2.gz IBOGTOUHWNFIFO-PHXNAMCJSA-N 2 0 327.472 2.099 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568929389 1124961046 /nfs/dbraw/zinc/96/10/46/1124961046.db2.gz ZIHXIUIYORBEIP-UEKDZROGSA-N 2 0 344.503 2.415 10 0 EEAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCC(F)(F)F)ccc2c[nH+]cn21 ZINC001569002674 1125032985 /nfs/dbraw/zinc/03/29/85/1125032985.db2.gz IWWDAPXWYQVQNH-SNVBAGLBSA-N 2 0 328.338 2.303 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001569202939 1125161256 /nfs/dbraw/zinc/16/12/56/1125161256.db2.gz KXBVHSQXOSORRB-FVDXIBTGSA-N 2 0 329.488 2.478 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001569201579 1125161534 /nfs/dbraw/zinc/16/15/34/1125161534.db2.gz DGQGIZHZBOARPN-KRWDZBQOSA-N 2 0 336.455 2.032 10 0 EEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174553046 282251031 /nfs/dbraw/zinc/25/10/31/282251031.db2.gz JHKUGQJJABAMSE-WOJBJXKFSA-N 2 0 343.515 2.494 10 0 EEAERP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCCOC2)c1)C1CCOCC1 ZINC000163967533 539537820 /nfs/dbraw/zinc/53/78/20/539537820.db2.gz BGWKLOWCMKYWTE-SFHVURJKSA-N 2 0 348.487 2.445 10 0 EEAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416189559 239108363 /nfs/dbraw/zinc/10/83/63/239108363.db2.gz JSGHMVFRVOJASZ-KXBFYZLASA-N 2 0 327.472 2.034 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419002785 239397114 /nfs/dbraw/zinc/39/71/14/239397114.db2.gz QCVOSFGBUXXMDH-QWHCGFSZSA-N 2 0 333.407 2.274 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422907503 240287662 /nfs/dbraw/zinc/28/76/62/240287662.db2.gz LKVMHZYHAWEINJ-GJZGRUSLSA-N 2 0 341.446 2.273 10 0 EEAERP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cnc1N1CCOCC1 ZINC000423049180 240342451 /nfs/dbraw/zinc/34/24/51/240342451.db2.gz JNHQAMJKIKRHAF-BPQIPLTHSA-N 2 0 348.466 2.068 10 0 EEAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423182965 240396760 /nfs/dbraw/zinc/39/67/60/240396760.db2.gz MCXDUJIQLCUITN-OALUTQOASA-N 3 0 331.504 2.263 10 0 EEAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nc2ccccc2n1C ZINC000423501854 240506023 /nfs/dbraw/zinc/50/60/23/240506023.db2.gz DERDSCSRNKZCOI-GTPINHCMSA-N 2 0 341.503 2.440 10 0 EEAERP CCOCC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC000174919096 255847642 /nfs/dbraw/zinc/84/76/42/255847642.db2.gz KDNCXBAZKKEMFT-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000119068622 292240759 /nfs/dbraw/zinc/24/07/59/292240759.db2.gz QNRRKIABMMEKBV-UHFFFAOYSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000119079893 292240853 /nfs/dbraw/zinc/24/08/53/292240853.db2.gz BSZXBKDYBKTWIJ-GOEBONIOSA-N 2 0 339.430 2.020 10 0 EEAERP CCN(C)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000248831901 160363511 /nfs/dbraw/zinc/36/35/11/160363511.db2.gz INBHQZGJYJIZOE-INIZCTEOSA-N 2 0 334.508 2.062 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000129583427 292360414 /nfs/dbraw/zinc/36/04/14/292360414.db2.gz HNQGLXPDCGOKRD-ACBHZAAOSA-N 2 0 331.504 2.396 10 0 EEAERP C[NH+](C)C1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104946016 159293492 /nfs/dbraw/zinc/29/34/92/159293492.db2.gz MLELUHZFHZEWOH-OAHLLOKOSA-N 2 0 346.393 2.471 10 0 EEAERP CCN(CC)CC[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190504166 160161771 /nfs/dbraw/zinc/16/17/71/160161771.db2.gz SLOAQGQBTPLKTL-QGZVFWFLSA-N 2 0 341.540 2.456 10 0 EEAERP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737580 160199625 /nfs/dbraw/zinc/19/96/25/160199625.db2.gz NFHRBRBUNYOXOA-QGZVFWFLSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245935220 160258351 /nfs/dbraw/zinc/25/83/51/160258351.db2.gz SACSHXIXDPFSNF-QZTJIDSGSA-N 2 0 336.524 2.378 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1C[C@H](C)[NH+](C3CC3)C1)CC2 ZINC000246409796 160277747 /nfs/dbraw/zinc/27/77/47/160277747.db2.gz UQBHEVDBKFVNPG-ONIAQPFYSA-N 2 0 334.508 2.268 10 0 EEAERP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000247109530 160310801 /nfs/dbraw/zinc/31/08/01/160310801.db2.gz IXYBOABKZNNWFZ-DLBZAZTESA-N 2 0 341.540 2.045 10 0 EEAERP CCc1nc(CN2CCC(C[NH2+][C@@H]3CN(C)C[C@H]3C)CC2)cs1 ZINC000344360105 161220071 /nfs/dbraw/zinc/22/00/71/161220071.db2.gz PFCIIOXVHPLUAU-RHSMWYFYSA-N 3 0 336.549 2.457 10 0 EEAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000354528822 162900569 /nfs/dbraw/zinc/90/05/69/162900569.db2.gz DUAMXMIPFDIJBR-CPFNUKBASA-N 2 0 336.524 2.375 10 0 EEAERP COC(=O)[C@H](C)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000355313658 163142751 /nfs/dbraw/zinc/14/27/51/163142751.db2.gz JNSSBBPRJSEGSS-CYBMUJFWSA-N 2 0 328.416 2.349 10 0 EEAERP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000360875158 164394881 /nfs/dbraw/zinc/39/48/81/164394881.db2.gz WSWXHMWOAKSVLW-SPYJTGKRSA-N 2 0 344.499 2.417 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000369952802 166364335 /nfs/dbraw/zinc/36/43/35/166364335.db2.gz VDKRJFLGVPFAQW-INIZCTEOSA-N 2 0 332.492 2.453 10 0 EEAERP CSC1(C[NH2+]Cc2cnc3nc(C)cc(C)n23)CC[NH+](C)CC1 ZINC000353231758 274174828 /nfs/dbraw/zinc/17/48/28/274174828.db2.gz VFBPXLXTKQOWLL-UHFFFAOYSA-N 2 0 333.505 2.263 10 0 EEAERP C[C@H](C(=O)N(C)C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291395766 275301297 /nfs/dbraw/zinc/30/12/97/275301297.db2.gz DEVTXPSJKGQVMH-QGZVFWFLSA-N 2 0 329.488 2.451 10 0 EEAERP COc1ccc([C@@H](C[NH+](C)C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291744022 275335840 /nfs/dbraw/zinc/33/58/40/275335840.db2.gz YXGWQWXEGLTPIC-GOSISDBHSA-N 2 0 333.476 2.146 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]CC3(OC)CCCC3)cn2)CC1 ZINC000359949159 276202912 /nfs/dbraw/zinc/20/29/12/276202912.db2.gz HQNDOASNLWLRLI-UHFFFAOYSA-N 2 0 332.492 2.272 10 0 EEAERP CC(=O)Nc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121107858 277073557 /nfs/dbraw/zinc/07/35/57/277073557.db2.gz KWDWPFMSYZCLML-OAHLLOKOSA-N 2 0 333.476 2.170 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1C[NH2+]C1 ZINC000423157450 278375933 /nfs/dbraw/zinc/37/59/33/278375933.db2.gz VBZFMUKHLLWLLJ-BXUZGUMPSA-N 2 0 332.398 2.341 10 0 EEAERP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000270593276 279286252 /nfs/dbraw/zinc/28/62/52/279286252.db2.gz YNHDVPCTHUAQIJ-MSOLQXFVSA-N 2 0 330.476 2.169 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000284155897 293039940 /nfs/dbraw/zinc/03/99/40/293039940.db2.gz DUJKDKYRWROXPR-WOUAJJJCSA-N 2 0 331.504 2.413 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423008432 293098130 /nfs/dbraw/zinc/09/81/30/293098130.db2.gz AERIXAPACDKXJO-YESZJQIVSA-N 2 0 325.884 2.429 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1F ZINC000297130985 294159414 /nfs/dbraw/zinc/15/94/14/294159414.db2.gz SGXHBMURFRHJJZ-ALOPSCKCSA-N 2 0 348.466 2.312 10 0 EEAERP COC(=O)[C@]1(C)CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000414557987 313040663 /nfs/dbraw/zinc/04/06/63/313040663.db2.gz MPYKCKOVLXTUKE-GOSISDBHSA-N 2 0 328.416 2.351 10 0 EEAERP CC(C)C[C@H]([NH3+])CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000414739865 313074197 /nfs/dbraw/zinc/07/41/97/313074197.db2.gz KQUVGGDLJDYODR-SFHVURJKSA-N 2 0 348.535 2.122 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416879993 313345980 /nfs/dbraw/zinc/34/59/80/313345980.db2.gz XPILZZDUXPJNJV-FQEVSTJZSA-N 2 0 342.487 2.177 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000416928253 313363387 /nfs/dbraw/zinc/36/33/87/313363387.db2.gz ULTLHYICTDJHKR-JJRVBVJISA-N 2 0 336.480 2.113 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccco1 ZINC000417314201 313481593 /nfs/dbraw/zinc/48/15/93/313481593.db2.gz QVWFKKNOJLWEEN-BZUAXINKSA-N 2 0 334.464 2.056 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)ccc1F ZINC000417661929 313559628 /nfs/dbraw/zinc/55/96/28/313559628.db2.gz QSYITWKGBCZKSH-MRXNPFEDSA-N 2 0 336.455 2.219 10 0 EEAERP [NH3+][C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418447649 313816400 /nfs/dbraw/zinc/81/64/00/313816400.db2.gz ITMUFLLMMPJJMY-MSOLQXFVSA-N 2 0 330.476 2.346 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418586497 313853562 /nfs/dbraw/zinc/85/35/62/313853562.db2.gz FQWCCDRCIOVFES-KZNAEPCWSA-N 2 0 336.524 2.282 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000441304877 315180228 /nfs/dbraw/zinc/18/02/28/315180228.db2.gz SPKZKPIKNIUXMS-NVXWUHKLSA-N 2 0 336.524 2.375 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1(C)C ZINC000441331175 315181454 /nfs/dbraw/zinc/18/14/54/315181454.db2.gz NTYKNOUERZEFKM-UHFFFAOYSA-N 2 0 327.476 2.192 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000544183935 318181916 /nfs/dbraw/zinc/18/19/16/318181916.db2.gz MXEICRHDXFDPMM-QGZVFWFLSA-N 2 0 334.427 2.321 10 0 EEAERP C[N@H+](CCNC(=O)c1ccccc1CC[NH3+])Cc1ccc(F)cc1 ZINC000565150246 319153145 /nfs/dbraw/zinc/15/31/45/319153145.db2.gz CZSRGTFYICIXGA-UHFFFAOYSA-N 2 0 329.419 2.189 10 0 EEAERP CCN(CCN1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000566304134 319272828 /nfs/dbraw/zinc/27/28/28/319272828.db2.gz QSFUBINFQBTLKF-QUCCMNQESA-N 2 0 330.520 2.049 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575027442 320080755 /nfs/dbraw/zinc/08/07/55/320080755.db2.gz OMQVXPYWCLRMNZ-PKOBYXMFSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000575780090 320114054 /nfs/dbraw/zinc/11/40/54/320114054.db2.gz UZQMMNBWOASAIJ-VQIMIIECSA-N 2 0 336.524 2.282 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)COC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000575799080 320115176 /nfs/dbraw/zinc/11/51/76/320115176.db2.gz QYMKYKBRHJFAOQ-CTWPCTMYSA-N 2 0 347.503 2.254 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000576611489 320188737 /nfs/dbraw/zinc/18/87/37/320188737.db2.gz BTQUCCMTUIIGBU-LJQANCHMSA-N 2 0 325.456 2.497 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000580532891 324081241 /nfs/dbraw/zinc/08/12/41/324081241.db2.gz NOCPBMVJUQOOSD-BJLQDIEVSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@]1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581478529 324261742 /nfs/dbraw/zinc/26/17/42/324261742.db2.gz VZZATBQBZGYHSR-AZUAARDMSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000358316372 465055040 /nfs/dbraw/zinc/05/50/40/465055040.db2.gz IFGCTOIBUZCGDL-DFFLPILJSA-N 2 0 326.506 2.435 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000339234514 465154970 /nfs/dbraw/zinc/15/49/70/465154970.db2.gz WNJADDVSIZRYJD-SFHVURJKSA-N 2 0 344.434 2.315 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000339256009 465171470 /nfs/dbraw/zinc/17/14/70/465171470.db2.gz KFRMVVDAFBZPHM-OAHLLOKOSA-N 2 0 332.492 2.384 10 0 EEAERP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2c(s1)CCC2 ZINC000128078890 462607158 /nfs/dbraw/zinc/60/71/58/462607158.db2.gz QPLFCFOECYYBEM-HIFRSBDPSA-N 2 0 335.517 2.475 10 0 EEAERP O=C(C[N@@H+]1CCCSCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000129218311 462696151 /nfs/dbraw/zinc/69/61/51/462696151.db2.gz SPPVIUCUJVIXDW-UHFFFAOYSA-N 2 0 347.528 2.338 10 0 EEAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCN3CCCc4ccccc43)CC2)C1 ZINC000090554351 462797845 /nfs/dbraw/zinc/79/78/45/462797845.db2.gz VXGOTIQTGAWZIR-HXUWFJFHSA-N 2 0 342.531 2.151 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091333266 462873945 /nfs/dbraw/zinc/87/39/45/462873945.db2.gz YZRZDAOFQRVOAQ-LSDHHAIUSA-N 2 0 339.505 2.105 10 0 EEAERP C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174689 463091987 /nfs/dbraw/zinc/09/19/87/463091987.db2.gz KSLCFFWIKDXHEO-AEFFLSMTSA-N 2 0 332.492 2.320 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000157776759 463168406 /nfs/dbraw/zinc/16/84/06/463168406.db2.gz KFEDNXSHANGRKS-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000069778803 463325188 /nfs/dbraw/zinc/32/51/88/463325188.db2.gz NKGYFZDDMYZSBO-IBGZPJMESA-N 2 0 346.519 2.285 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000590859802 468359238 /nfs/dbraw/zinc/35/92/38/468359238.db2.gz RDZYENVAAIUGET-ZWKOTPCHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCCCC1 ZINC000073788909 463656247 /nfs/dbraw/zinc/65/62/47/463656247.db2.gz MOGMNZTZYLNTMT-OOKSDGMUSA-N 2 0 336.524 2.423 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000170829092 463715430 /nfs/dbraw/zinc/71/54/30/463715430.db2.gz WYBBEAIMGDJMQE-GOSISDBHSA-N 2 0 330.476 2.128 10 0 EEAERP CN(Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261922821 463901302 /nfs/dbraw/zinc/90/13/02/463901302.db2.gz KQCPTGHWVQFCKZ-HOTGVXAUSA-N 2 0 334.533 2.429 10 0 EEAERP CCCN(Cc1noc(CN)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262309299 463998013 /nfs/dbraw/zinc/99/80/13/463998013.db2.gz YQZUFVMLGJBBNJ-QGZVFWFLSA-N 2 0 343.475 2.405 10 0 EEAERP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCOC1 ZINC000280989050 464289404 /nfs/dbraw/zinc/28/94/04/464289404.db2.gz WSWXHMWOAKSVLW-XNTOXWQXSA-N 2 0 344.499 2.417 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cccs1 ZINC000246386642 464579201 /nfs/dbraw/zinc/57/92/01/464579201.db2.gz IALCVSPMQLIQFS-GJZGRUSLSA-N 2 0 336.505 2.231 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000246430677 464582785 /nfs/dbraw/zinc/58/27/85/464582785.db2.gz SZECAHBKLJRMJP-MOPGFXCFSA-N 2 0 344.503 2.387 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246489959 464591860 /nfs/dbraw/zinc/59/18/60/464591860.db2.gz RQGJJWCWCOTGAT-XDNAFOTISA-N 2 0 338.540 2.479 10 0 EEAERP Cn1cc([C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272419452 464601857 /nfs/dbraw/zinc/60/18/57/464601857.db2.gz NDXDZGZXPBCRJZ-IYWMVGAKSA-N 2 0 340.471 2.239 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1C ZINC000247056538 464646597 /nfs/dbraw/zinc/64/65/97/464646597.db2.gz YUGLRFUUJIJGPM-RBSFLKMASA-N 2 0 338.521 2.475 10 0 EEAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339567225 465354041 /nfs/dbraw/zinc/35/40/41/465354041.db2.gz FXXJLMZHGWBKCW-IXDOHACOSA-N 2 0 329.488 2.496 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H]2CCC[C@H]21 ZINC000353671637 466054886 /nfs/dbraw/zinc/05/48/86/466054886.db2.gz LGMLESIQLMPANF-JSXRDJHFSA-N 3 0 343.515 2.216 10 0 EEAERP COCCn1cc2c(n1)[C@H](N[C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000353672308 466056187 /nfs/dbraw/zinc/05/61/87/466056187.db2.gz PZVNLVLQQSTFAM-BSDSXHPESA-N 2 0 332.492 2.369 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349666557 466183138 /nfs/dbraw/zinc/18/31/38/466183138.db2.gz ZSSUVINJWQEEKM-HOTGVXAUSA-N 2 0 336.505 2.229 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000349805497 466250467 /nfs/dbraw/zinc/25/04/67/466250467.db2.gz YAIKQQCIDDKKQF-DFGXFYAUSA-N 2 0 336.524 2.231 10 0 EEAERP Cc1cc(NCC2([NH+]3CCCCC3)CCN(C)CC2)nc(C2CC2)n1 ZINC000363262823 466317888 /nfs/dbraw/zinc/31/78/88/466317888.db2.gz KNLQSUVNKOVSFX-UHFFFAOYSA-N 2 0 343.519 3.025 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@H]2CCC[C@@H]21 ZINC000367529117 466394998 /nfs/dbraw/zinc/39/49/98/466394998.db2.gz YRPHTCGAKXPAFQ-SQNIBIBYSA-N 2 0 336.501 2.194 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000358029768 466397534 /nfs/dbraw/zinc/39/75/34/466397534.db2.gz WCRTZNBCCJUUHU-KXBFYZLASA-N 2 0 336.524 2.306 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000361980049 466455819 /nfs/dbraw/zinc/45/58/19/466455819.db2.gz GGQCLOCNFCVYGH-MISYRCLQSA-N 2 0 332.488 2.276 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)NCC[NH+](C)C ZINC000347193501 466467210 /nfs/dbraw/zinc/46/72/10/466467210.db2.gz IXQYEAWTHJOKON-HOCLYGCPSA-N 2 0 349.475 2.158 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000657753034 471226880 /nfs/dbraw/zinc/22/68/80/471226880.db2.gz MEJFNYRUBODSKJ-HNNXBMFYSA-N 2 0 341.459 2.312 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1OC(F)F ZINC000662250257 472043132 /nfs/dbraw/zinc/04/31/32/472043132.db2.gz CKXVEMHIKAZDIX-CYBMUJFWSA-N 2 0 342.386 2.249 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417042044 466762731 /nfs/dbraw/zinc/76/27/31/466762731.db2.gz WGXHBAIZGPWQNT-GBESFXJTSA-N 2 0 342.487 2.217 10 0 EEAERP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C2)CC1 ZINC000373465577 466812445 /nfs/dbraw/zinc/81/24/45/466812445.db2.gz LRUJAUYZGOWUGD-LMDPOFIKSA-N 2 0 348.535 2.377 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417243659 466813367 /nfs/dbraw/zinc/81/33/67/466813367.db2.gz WIWIDWBSKUPWJO-QFBILLFUSA-N 2 0 336.524 2.282 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[NH+](C)C)cc1 ZINC000417318964 466832794 /nfs/dbraw/zinc/83/27/94/466832794.db2.gz ZWINQZGYSGCWFY-OTWHNJEPSA-N 2 0 344.503 2.239 10 0 EEAERP CSc1ccc(OC[C@@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000411760592 466895311 /nfs/dbraw/zinc/89/53/11/466895311.db2.gz SMPPXPBIHROWLF-YJBOKZPZSA-N 2 0 336.501 2.176 10 0 EEAERP CCn1nncc1C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417879699 466967517 /nfs/dbraw/zinc/96/75/17/466967517.db2.gz BJXULWHHAMQETF-UHFFFAOYSA-N 2 0 343.475 2.308 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000377026199 467001315 /nfs/dbraw/zinc/00/13/15/467001315.db2.gz ACMMRSRSTWCYMG-LPHOPBHVSA-N 2 0 342.487 2.139 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424332345 467030185 /nfs/dbraw/zinc/03/01/85/467030185.db2.gz VCGCTASODNSFNA-BHIYHBOVSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418035798 467030770 /nfs/dbraw/zinc/03/07/70/467030770.db2.gz BDUGPKJPYHHYAO-YVWKXTFCSA-N 2 0 344.503 2.420 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418145976 467059124 /nfs/dbraw/zinc/05/91/24/467059124.db2.gz ZYJLUQYTDFROIT-SOLBZPMBSA-N 2 0 334.508 2.319 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C[C@H]1C ZINC000418330872 467093633 /nfs/dbraw/zinc/09/36/33/467093633.db2.gz QTUZCPFTWITUKG-SJLPKXTDSA-N 2 0 347.507 2.076 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418429781 467109366 /nfs/dbraw/zinc/10/93/66/467109366.db2.gz OAGRLMLWUOKNRE-WMZOPIPTSA-N 2 0 330.476 2.060 10 0 EEAERP OCCCCC[NH+]1CCCC2(CCC[N@@H+](CCCCCO)C2)C1 ZINC000377730885 467128860 /nfs/dbraw/zinc/12/88/60/467128860.db2.gz ZZKWHUSINJFQPM-UHFFFAOYSA-N 2 0 326.525 2.490 10 0 EEAERP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000435601057 467480302 /nfs/dbraw/zinc/48/03/02/467480302.db2.gz IVMYRURCRHVYPS-HNNXBMFYSA-N 2 0 344.484 2.162 10 0 EEAERP CCO[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405327948 467480552 /nfs/dbraw/zinc/48/05/52/467480552.db2.gz DQTLWOPMMWSUQO-QMTHXVAHSA-N 2 0 346.258 2.228 10 0 EEAERP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000445895946 467584791 /nfs/dbraw/zinc/58/47/91/467584791.db2.gz WOOQRBUQBCXGBD-CQSZACIVSA-N 2 0 335.414 2.296 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000528682785 467727499 /nfs/dbraw/zinc/72/74/99/467727499.db2.gz SNEPQIRRUCTBHI-KRWDZBQOSA-N 2 0 346.475 2.423 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000457910755 467727976 /nfs/dbraw/zinc/72/79/76/467727976.db2.gz KQOYVSFJLNNZAZ-OALUTQOASA-N 2 0 346.519 2.285 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459264416 467953543 /nfs/dbraw/zinc/95/35/43/467953543.db2.gz MYYKJYCHUQWSJV-KRWDZBQOSA-N 2 0 338.540 2.482 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749679 468044680 /nfs/dbraw/zinc/04/46/80/468044680.db2.gz IXFPNUVIZKLIRB-FZCLSBEQSA-N 2 0 330.476 2.119 10 0 EEAERP Cc1nc(C(C)C)sc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357526 468046822 /nfs/dbraw/zinc/04/68/22/468046822.db2.gz TWIZWRDYUPBYHC-UHFFFAOYSA-N 2 0 326.510 2.140 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+]C2CCN(c3cnccn3)CC2)ccc1F ZINC000532500982 468120714 /nfs/dbraw/zinc/12/07/14/468120714.db2.gz ZPBWTHYKYAINFM-UHFFFAOYSA-N 2 0 343.450 2.436 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000570617971 468665736 /nfs/dbraw/zinc/66/57/36/468665736.db2.gz FJMDHXDVXMGGLX-ZAWLATJESA-N 2 0 344.503 2.194 10 0 EEAERP C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000595007227 468742188 /nfs/dbraw/zinc/74/21/88/468742188.db2.gz KJWFHKZYVKFYJD-AWEZNQCLSA-N 2 0 326.485 2.014 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000571624141 468813338 /nfs/dbraw/zinc/81/33/38/468813338.db2.gz APVCRQUKTWGBQV-AWEZNQCLSA-N 2 0 334.439 2.467 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)[C@H]2CCC[C@H]21 ZINC000560515477 468823709 /nfs/dbraw/zinc/82/37/09/468823709.db2.gz UNIVMEURLFOFPS-IXDOHACOSA-N 2 0 337.489 2.021 10 0 EEAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000560515060 468823998 /nfs/dbraw/zinc/82/39/98/468823998.db2.gz BKCLFZKUYBANSC-KURKYZTESA-N 2 0 330.476 2.167 10 0 EEAERP COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000563031302 469143898 /nfs/dbraw/zinc/14/38/98/469143898.db2.gz RVJVWXUPXYLTRU-UHFFFAOYSA-N 2 0 345.447 2.217 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)CC1 ZINC000615315921 469216771 /nfs/dbraw/zinc/21/67/71/469216771.db2.gz VBROINVOTJQRCW-CRAIPNDOSA-N 2 0 330.476 2.157 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629530897 469572966 /nfs/dbraw/zinc/57/29/66/469572966.db2.gz UNNBIYNSKLRYAS-XUVXKRRUSA-N 3 0 331.504 2.255 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617016344 469573570 /nfs/dbraw/zinc/57/35/70/469573570.db2.gz HENWPDARJGLRRT-OAHLLOKOSA-N 2 0 333.476 2.230 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000629568355 469582454 /nfs/dbraw/zinc/58/24/54/469582454.db2.gz JTAGXNQGKGUCRN-KBPBESRZSA-N 2 0 341.883 2.074 10 0 EEAERP C[C@H]1CC[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660591 469601398 /nfs/dbraw/zinc/60/13/98/469601398.db2.gz WFMCSBBQPTXOHC-FUHWJXTLSA-N 2 0 330.520 2.447 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623386859 469639969 /nfs/dbraw/zinc/63/99/69/469639969.db2.gz GUTVESBHHAXJFD-SFHVURJKSA-N 3 0 345.535 2.056 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CC1(C)C ZINC000623406043 469645568 /nfs/dbraw/zinc/64/55/68/469645568.db2.gz HXTZNTVJVBSIBC-QWHCGFSZSA-N 2 0 328.403 2.167 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000617344808 469650739 /nfs/dbraw/zinc/65/07/39/469650739.db2.gz PVSXFHMCCLBHKI-SFHVURJKSA-N 2 0 329.488 2.424 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1(C)C ZINC000623475182 469668499 /nfs/dbraw/zinc/66/84/99/469668499.db2.gz DBJFNCFQZLRGAK-ROUUACIJSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000623713052 469741139 /nfs/dbraw/zinc/74/11/39/469741139.db2.gz RHQDJXAHYXCJPM-WMZOPIPTSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000626995375 469781505 /nfs/dbraw/zinc/78/15/05/469781505.db2.gz SVOVNSBJBYDCBJ-MXSMSXNCSA-N 2 0 330.476 2.089 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000626995001 469781682 /nfs/dbraw/zinc/78/16/82/469781682.db2.gz NJFHTPLIJNEBHP-RWQQGDIJSA-N 2 0 344.503 2.479 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627001616 469785099 /nfs/dbraw/zinc/78/50/99/469785099.db2.gz JUAUGHJYRFIVFK-VKJFTORMSA-N 2 0 345.491 2.047 10 0 EEAERP C[C@@H](C[NH3+])CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627081773 469809133 /nfs/dbraw/zinc/80/91/33/469809133.db2.gz TXEGRYAAQARRMQ-HZMBPMFUSA-N 2 0 347.290 2.490 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929561 469843140 /nfs/dbraw/zinc/84/31/40/469843140.db2.gz MDEDHGJVYYOPJO-RBUKOAKNSA-N 2 0 344.503 2.236 10 0 EEAERP C[C@H]1C[C@@H]([N@H+](C)CCc2cn(C)nn2)CCN1Cc1ccccc1 ZINC000625222253 470097517 /nfs/dbraw/zinc/09/75/17/470097517.db2.gz MKDOARJEBIMGNU-LPHOPBHVSA-N 2 0 327.476 2.343 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C[C@H]1C[NH2+]CCO1 ZINC000621783423 470107345 /nfs/dbraw/zinc/10/73/45/470107345.db2.gz BDIDEIDAHWIFJN-GOSISDBHSA-N 2 0 331.504 2.350 10 0 EEAERP O=C(Cc1ccc(-n2ccnc2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000631453551 470144455 /nfs/dbraw/zinc/14/44/55/470144455.db2.gz NQESHRIVVKONTE-GOSISDBHSA-N 2 0 338.455 2.359 10 0 EEAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044837 470153426 /nfs/dbraw/zinc/15/34/26/470153426.db2.gz UTFSKLWQEVSMFB-HUUCEWRRSA-N 2 0 341.455 2.433 10 0 EEAERP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000631646111 470176089 /nfs/dbraw/zinc/17/60/89/470176089.db2.gz WYIBYZYDJXBQFF-OTWHNJEPSA-N 2 0 334.504 2.425 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649281415 470524780 /nfs/dbraw/zinc/52/47/80/470524780.db2.gz GTBNXJUYAGLYKR-INIZCTEOSA-N 2 0 337.414 2.143 10 0 EEAERP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000649350282 470556287 /nfs/dbraw/zinc/55/62/87/470556287.db2.gz YXBYJTZEKSIHFS-GOSISDBHSA-N 2 0 344.503 2.151 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1)c1ccccc1 ZINC000649907609 470739767 /nfs/dbraw/zinc/73/97/67/470739767.db2.gz WCGVBZLBOICNQI-RDJZCZTQSA-N 2 0 337.414 2.137 10 0 EEAERP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647549420 470928523 /nfs/dbraw/zinc/92/85/23/470928523.db2.gz YOFDKPDWMGKNGC-VAMGGRTRSA-N 2 0 337.467 2.374 10 0 EEAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000654522513 471053052 /nfs/dbraw/zinc/05/30/52/471053052.db2.gz BTQWIZDKLKXJAN-KONPQCLYSA-N 2 0 336.524 2.279 10 0 EEAERP Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657370143 471116700 /nfs/dbraw/zinc/11/67/00/471116700.db2.gz CQBXXWVXMYXURX-UHFFFAOYSA-N 2 0 339.399 2.078 10 0 EEAERP CC(C)[C@H]1CN(C(=O)CCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638511462 471126835 /nfs/dbraw/zinc/12/68/35/471126835.db2.gz AITDWJWDCNELBO-LJQANCHMSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000640941587 471129839 /nfs/dbraw/zinc/12/98/39/471129839.db2.gz RVGOBLUMWKAMJL-HKUYNNGSSA-N 2 0 344.503 2.210 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNc2nc(N)[nH+]c3c2CCCC3)c1 ZINC000645134326 471149485 /nfs/dbraw/zinc/14/94/85/471149485.db2.gz CPQVOVOXEUSNAX-UHFFFAOYSA-N 2 0 325.460 2.423 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657902342 471246458 /nfs/dbraw/zinc/24/64/58/471246458.db2.gz ZVQSXCYBTHUONU-INIZCTEOSA-N 2 0 341.565 2.488 10 0 EEAERP CCN(C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652237668 471260528 /nfs/dbraw/zinc/26/05/28/471260528.db2.gz YTLCOHCFPILFHY-GOSISDBHSA-N 2 0 344.503 2.421 10 0 EEAERP CO[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCOC1 ZINC000658075168 471264643 /nfs/dbraw/zinc/26/46/43/471264643.db2.gz WLDXHLGHIYSHBN-HHXXYDBFSA-N 2 0 336.476 2.329 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)C[C@H]1C ZINC000652286760 471267252 /nfs/dbraw/zinc/26/72/52/471267252.db2.gz DUDYEHASUFXVRI-QAPCUYQASA-N 2 0 332.492 2.420 10 0 EEAERP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138740 471270003 /nfs/dbraw/zinc/27/00/03/471270003.db2.gz OONFIRVFGJYZBV-RDTXWAMCSA-N 2 0 326.444 2.202 10 0 EEAERP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139491 471270049 /nfs/dbraw/zinc/27/00/49/471270049.db2.gz MAPLNGKMANSFTJ-KSSFIOAISA-N 2 0 328.460 2.146 10 0 EEAERP CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000652611270 471314312 /nfs/dbraw/zinc/31/43/12/471314312.db2.gz CPMRLNRBLMIVMX-UHFFFAOYSA-N 2 0 334.439 2.421 10 0 EEAERP CCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663656225 471461999 /nfs/dbraw/zinc/46/19/99/471461999.db2.gz WWGAQEMSPOSEHP-KZNAEPCWSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659032494 471475170 /nfs/dbraw/zinc/47/51/70/471475170.db2.gz QSFRMBCALWTJEG-CRAIPNDOSA-N 2 0 346.475 2.343 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659032497 471476223 /nfs/dbraw/zinc/47/62/23/471476223.db2.gz QSFRMBCALWTJEG-YJBOKZPZSA-N 2 0 346.475 2.343 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655823162 471495114 /nfs/dbraw/zinc/49/51/14/471495114.db2.gz CLIPCVLFANMUHY-OAGGEKHMSA-N 2 0 343.475 2.163 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663843450 471543599 /nfs/dbraw/zinc/54/35/99/471543599.db2.gz KWWOVJYOPYXFAQ-ZWKOTPCHSA-N 2 0 332.492 2.333 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669556711 471551471 /nfs/dbraw/zinc/55/14/71/471551471.db2.gz CBRUKMJCGAQQLX-WAARBJQMSA-N 2 0 344.503 2.322 10 0 EEAERP [NH3+][C@@H](CCC(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653266784 471559823 /nfs/dbraw/zinc/55/98/23/471559823.db2.gz FPMAAQOVSNAAOI-XWSJACJDSA-N 2 0 345.487 2.354 10 0 EEAERP [NH3+]C1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC2(CCC2)C1 ZINC000659325331 471581717 /nfs/dbraw/zinc/58/17/17/471581717.db2.gz ONMGJXPXFCZEFW-ZWKOTPCHSA-N 2 0 339.483 2.381 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659429886 471623212 /nfs/dbraw/zinc/62/32/12/471623212.db2.gz XZHMPOSCWPYOKL-IAGOWNOFSA-N 2 0 336.455 2.109 10 0 EEAERP C[N@H+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCC1 ZINC000659450290 471634391 /nfs/dbraw/zinc/63/43/91/471634391.db2.gz KFLDKRNORDRFHQ-RTBURBONSA-N 2 0 344.503 2.306 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659454168 471635134 /nfs/dbraw/zinc/63/51/34/471635134.db2.gz YCCSXBPFASMPSX-GUDVDZBRSA-N 2 0 344.503 2.306 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000659467406 471642891 /nfs/dbraw/zinc/64/28/91/471642891.db2.gz MAIBPIHWNFUDBZ-RGIVZKHGSA-N 2 0 342.487 2.057 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000667083156 471647699 /nfs/dbraw/zinc/64/76/99/471647699.db2.gz ODGZJZJLDLCTQN-PBHICJAKSA-N 2 0 334.464 2.137 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659543939 471672222 /nfs/dbraw/zinc/67/22/22/471672222.db2.gz NONZFZYFTWOZEX-PSBWJHGTSA-N 2 0 344.503 2.196 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661399391 471741835 /nfs/dbraw/zinc/74/18/35/471741835.db2.gz SRZWPCVCGICYBD-MSOLQXFVSA-N 2 0 344.503 2.433 10 0 EEAERP CO[C@H](C[N@H+](C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCOC1 ZINC000659990886 471817204 /nfs/dbraw/zinc/81/72/04/471817204.db2.gz ISMCEEMFQDHFEA-FXAWDEMLSA-N 2 0 347.503 2.072 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000654355849 471926014 /nfs/dbraw/zinc/92/60/14/471926014.db2.gz FKGZNRPCPYYQGX-HDICACEKSA-N 2 0 332.492 2.148 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000667956326 471962811 /nfs/dbraw/zinc/96/28/11/471962811.db2.gz OBGWOVPCSAUNPL-LJQANCHMSA-N 2 0 329.488 2.425 10 0 EEAERP C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291798 471992965 /nfs/dbraw/zinc/99/29/65/471992965.db2.gz LKEDACUJMRYVAS-SECBINFHSA-N 2 0 326.853 2.467 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000662324346 472071588 /nfs/dbraw/zinc/07/15/88/472071588.db2.gz VMUSQHLNOQWRMF-VQTJNVASSA-N 2 0 331.504 2.304 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662421552 472104199 /nfs/dbraw/zinc/10/41/99/472104199.db2.gz FLMPREVOLPQBEK-IBGZPJMESA-N 2 0 347.503 2.431 10 0 EEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662523585 472139093 /nfs/dbraw/zinc/13/90/93/472139093.db2.gz OANUTMSELNURGJ-CQSZACIVSA-N 2 0 336.480 2.382 10 0 EEAERP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687544 472206585 /nfs/dbraw/zinc/20/65/85/472206585.db2.gz ZYVVAOLHMYTKOY-ROUUACIJSA-N 2 0 325.412 2.294 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000668678209 472221574 /nfs/dbraw/zinc/22/15/74/472221574.db2.gz LRWGCTKUMGAQIH-CWDCEQMOSA-N 2 0 336.867 2.291 10 0 EEAERP CN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673704006 485504417 /nfs/dbraw/zinc/50/44/17/485504417.db2.gz WNULKYRXWNSVEM-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP CC1CC[NH+](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673810666 485541267 /nfs/dbraw/zinc/54/12/67/485541267.db2.gz ZGKDEUSGHDCOTQ-UHFFFAOYSA-N 2 0 328.420 2.121 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673861786 485559697 /nfs/dbraw/zinc/55/96/97/485559697.db2.gz NXJMSWKKFOPGBF-UHFFFAOYSA-N 2 0 328.420 2.262 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)[C@H](C)C1 ZINC000658143169 485572753 /nfs/dbraw/zinc/57/27/53/485572753.db2.gz XHCFXZDXTAOGNR-UXPWSPDFSA-N 3 0 331.504 2.073 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000670475326 485656152 /nfs/dbraw/zinc/65/61/52/485656152.db2.gz QBASQGJLMTXKGM-UHFFFAOYSA-N 2 0 332.492 2.337 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000174779750 527752541 /nfs/dbraw/zinc/75/25/41/527752541.db2.gz LCKRFZFWEKSLKE-CRAIPNDOSA-N 2 0 343.471 2.335 10 0 EEAERP CCC[NH+]1CCC([NH2+]CCc2nc(C(=O)OCC)cs2)CC1 ZINC000191562789 528202669 /nfs/dbraw/zinc/20/26/69/528202669.db2.gz VFXRNYHKBUHZQW-UHFFFAOYSA-N 2 0 325.478 2.326 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000115807113 535532810 /nfs/dbraw/zinc/53/28/10/535532810.db2.gz XCHOUIPCIKYPCD-MRXNPFEDSA-N 2 0 336.455 2.171 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848194 681244991 /nfs/dbraw/zinc/24/49/91/681244991.db2.gz ARXLPJIBUGUXCO-ZIAGYGMSSA-N 2 0 326.872 2.265 10 0 EEAERP COc1cc(C)cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1OC ZINC000895419171 684594091 /nfs/dbraw/zinc/59/40/91/684594091.db2.gz TXZNUBPCVMJVCP-QZTJIDSGSA-N 2 0 349.519 2.183 10 0 EEAERP CON(C)C(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000788022341 689622839 /nfs/dbraw/zinc/62/28/39/689622839.db2.gz MQOZLRJLNPPSTR-AEFFLSMTSA-N 2 0 333.476 2.381 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924653542 693080207 /nfs/dbraw/zinc/08/02/07/693080207.db2.gz AAHAGZWIYHNMBC-KRWDZBQOSA-N 2 0 333.524 2.361 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924668506 693117643 /nfs/dbraw/zinc/11/76/43/693117643.db2.gz QURLFKYJWSLPQX-WSTZPKSXSA-N 2 0 347.551 2.055 10 0 EEAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2)C1 ZINC001485508994 1191819779 /nfs/dbraw/zinc/81/97/79/1191819779.db2.gz GFSCBISQFBWZEF-QFBILLFUSA-N 2 0 329.488 2.498 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC001485701382 1191905175 /nfs/dbraw/zinc/90/51/75/1191905175.db2.gz JKTIISUIJJWNFA-RZDIXWSQSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)ncn1 ZINC001485732390 1191922370 /nfs/dbraw/zinc/92/23/70/1191922370.db2.gz HBONQHMRXWRAFV-HNNXBMFYSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001485814197 1191978286 /nfs/dbraw/zinc/97/82/86/1191978286.db2.gz RPOYOKMYIJBTMY-FUHWJXTLSA-N 2 0 348.491 2.184 10 0 EEAERP c1cc2c(cc1-c1nc([C@@H]3C[NH+]4CCC3CC4)no1)OCC[NH2+]C2 ZINC001772523624 1176742763 /nfs/dbraw/zinc/74/27/63/1176742763.db2.gz SDURRPDIINYKQA-OAHLLOKOSA-N 2 0 326.400 2.028 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001772526452 1176884839 /nfs/dbraw/zinc/88/48/39/1176884839.db2.gz PFVMIBVZZWAMEU-ROUUACIJSA-N 2 0 325.460 2.267 10 0 EEAERP Cc1ccc(OCCC[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001266803876 1177457007 /nfs/dbraw/zinc/45/70/07/1177457007.db2.gz VEDMMWBGJINXPW-LJQANCHMSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001691106514 1177584056 /nfs/dbraw/zinc/58/40/56/1177584056.db2.gz XQXZVTCHHZUXBP-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccccc1Cl ZINC001266926968 1177821786 /nfs/dbraw/zinc/82/17/86/1177821786.db2.gz FSZCBZUCIGGMIF-PBHICJAKSA-N 2 0 337.895 2.461 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001266975456 1177958284 /nfs/dbraw/zinc/95/82/84/1177958284.db2.gz MMOLJFZFCXZTKM-KRWDZBQOSA-N 2 0 347.503 2.200 10 0 EEAERP CC(C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001267096222 1178231141 /nfs/dbraw/zinc/23/11/41/1178231141.db2.gz KYVGGYFSWOULDB-FQEVSTJZSA-N 2 0 343.515 2.433 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001698858386 1178251696 /nfs/dbraw/zinc/25/16/96/1178251696.db2.gz CFTHMIAYVFNJCA-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP CC/C=C\CC[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267206790 1178497028 /nfs/dbraw/zinc/49/70/28/1178497028.db2.gz PDSCFSVCPAXASK-PLNGDYQASA-N 2 0 327.432 2.285 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)cc2)C1 ZINC001267416365 1178989038 /nfs/dbraw/zinc/98/90/38/1178989038.db2.gz NIZXFBFPAKCTII-SFHVURJKSA-N 2 0 347.503 2.365 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccn1 ZINC001267500960 1179192677 /nfs/dbraw/zinc/19/26/77/1179192677.db2.gz IJECJXSTDNDCMO-IBGZPJMESA-N 2 0 344.503 2.140 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001267571114 1179431556 /nfs/dbraw/zinc/43/15/56/1179431556.db2.gz IQMIXVZWNAGEFL-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cnccc1C ZINC001481012087 1179490896 /nfs/dbraw/zinc/49/08/96/1179490896.db2.gz UJDDOQZCIXBHBV-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001481016578 1179502568 /nfs/dbraw/zinc/50/25/68/1179502568.db2.gz ODNHKEOQIHHGDD-GOSISDBHSA-N 2 0 333.451 2.347 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC001481044884 1179623757 /nfs/dbraw/zinc/62/37/57/1179623757.db2.gz UQHVOFQOZNCYAK-GOEBONIOSA-N 2 0 343.462 2.487 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCc1c(F)cccc1F ZINC001481055382 1179640390 /nfs/dbraw/zinc/64/03/90/1179640390.db2.gz DWFVOLHXISXESD-CQSZACIVSA-N 2 0 339.430 2.040 10 0 EEAERP Cc1cc(F)ccc1C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481194647 1180061252 /nfs/dbraw/zinc/06/12/52/1180061252.db2.gz OUXHPOIEIJRQGH-UHFFFAOYSA-N 2 0 345.462 2.311 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242720 1180418553 /nfs/dbraw/zinc/41/85/53/1180418553.db2.gz UHFBFAVWALLEEG-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001267895834 1180710278 /nfs/dbraw/zinc/71/02/78/1180710278.db2.gz JBMKUYZJBWYXRL-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001267932070 1180782547 /nfs/dbraw/zinc/78/25/47/1180782547.db2.gz CPFLZDSWLXDVPY-BRSBDYLESA-N 2 0 339.524 2.303 10 0 EEAERP CCOCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001268045874 1181526833 /nfs/dbraw/zinc/52/68/33/1181526833.db2.gz LRBUSUUBVOTOBL-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCCCOC)C1 ZINC001268236189 1182054663 /nfs/dbraw/zinc/05/46/63/1182054663.db2.gz CPPYUZJPQPPNBS-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732381 1182412545 /nfs/dbraw/zinc/41/25/45/1182412545.db2.gz MYSIKOHEGLBKND-NVXWUHKLSA-N 2 0 339.524 2.207 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389318 1182441679 /nfs/dbraw/zinc/44/16/79/1182441679.db2.gz LIAUAPHNLHPFCX-AWEZNQCLSA-N 2 0 336.480 2.096 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389554 1182443829 /nfs/dbraw/zinc/44/38/29/1182443829.db2.gz NQBRLVFISFKNDU-AWEZNQCLSA-N 2 0 336.455 2.080 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001481823726 1182742945 /nfs/dbraw/zinc/74/29/45/1182742945.db2.gz KQPWDGOXLKHHGE-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H](CNC(=O)Cc1cncn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001481870369 1182845578 /nfs/dbraw/zinc/84/55/78/1182845578.db2.gz MGWAETFYYLGFPA-YJBOKZPZSA-N 2 0 326.444 2.135 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481975902 1183071163 /nfs/dbraw/zinc/07/11/63/1183071163.db2.gz BREJHUWMCZNNPS-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481984927 1183087010 /nfs/dbraw/zinc/08/70/10/1183087010.db2.gz UYFXEUKJMUKLAE-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001482114080 1183344664 /nfs/dbraw/zinc/34/46/64/1183344664.db2.gz XXFNPNLAAOAVPD-KRWDZBQOSA-N 2 0 344.503 2.108 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001482128354 1183376233 /nfs/dbraw/zinc/37/62/33/1183376233.db2.gz CJTMFLAMIMRYRS-HIFRSBDPSA-N 2 0 336.480 2.260 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268587320 1183385013 /nfs/dbraw/zinc/38/50/13/1183385013.db2.gz IQYUQPFMFILCKK-KXPUMZMLSA-N 2 0 338.521 2.108 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001268607949 1183515809 /nfs/dbraw/zinc/51/58/09/1183515809.db2.gz KOCCNLIJKSGVCW-YPQKKHBXSA-N 2 0 343.462 2.416 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001268614798 1183530250 /nfs/dbraw/zinc/53/02/50/1183530250.db2.gz YRZOMHMWWYZOJX-MPNWYJEXSA-N 2 0 337.414 2.069 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268686598 1183609858 /nfs/dbraw/zinc/60/98/58/1183609858.db2.gz IOEMMMZNZLKUHB-OXJNMPFZSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCn1ccnc1 ZINC001268740917 1183662153 /nfs/dbraw/zinc/66/21/53/1183662153.db2.gz MFOLDRGZPWNDTR-OAHLLOKOSA-N 2 0 339.443 2.391 10 0 EEAERP CN(CCC[NH2+]Cc1cscn1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268915393 1183823974 /nfs/dbraw/zinc/82/39/74/1183823974.db2.gz MGMCKSPFZPSZQP-GOEBONIOSA-N 2 0 338.521 2.202 10 0 EEAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001482203943 1183943221 /nfs/dbraw/zinc/94/32/21/1183943221.db2.gz ZEMJFRODAVRQIO-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001269574825 1184403455 /nfs/dbraw/zinc/40/34/55/1184403455.db2.gz BLXZKXHMUGCVNF-AYHJJNSGSA-N 2 0 349.519 2.011 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001270074361 1184827690 /nfs/dbraw/zinc/82/76/90/1184827690.db2.gz BZCAFBWGIJMOQG-NVXWUHKLSA-N 2 0 335.517 2.356 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001270074362 1184828228 /nfs/dbraw/zinc/82/82/28/1184828228.db2.gz BZCAFBWGIJMOQG-RDJZCZTQSA-N 2 0 335.517 2.356 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001270084400 1184835440 /nfs/dbraw/zinc/83/54/40/1184835440.db2.gz YKUYCVMKUKTSKI-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001270194925 1184910544 /nfs/dbraw/zinc/91/05/44/1184910544.db2.gz XPLCLPIYUGFZBS-ROUUACIJSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303452 1185228705 /nfs/dbraw/zinc/22/87/05/1185228705.db2.gz CIAKTVULTAXWJX-QGZVFWFLSA-N 2 0 329.488 2.294 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC001482346425 1185467498 /nfs/dbraw/zinc/46/74/98/1185467498.db2.gz AVSLNJFNDKYYQS-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482368174 1185528835 /nfs/dbraw/zinc/52/88/35/1185528835.db2.gz NWWOGLMVZVKELE-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCCOC)CC1 ZINC001270925471 1185745749 /nfs/dbraw/zinc/74/57/49/1185745749.db2.gz FTEGKJPQLATLJH-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001271087038 1185869697 /nfs/dbraw/zinc/86/96/97/1185869697.db2.gz VCJKKWAEKDRYEC-IRXDYDNUSA-N 2 0 337.508 2.080 10 0 EEAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001482467786 1185967817 /nfs/dbraw/zinc/96/78/17/1185967817.db2.gz GXEUFQQPDWQPCW-SJORKVTESA-N 2 0 349.523 2.075 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCCC1 ZINC001271353848 1186157490 /nfs/dbraw/zinc/15/74/90/1186157490.db2.gz KOHOPOZLNGGDFF-HWYHOQROSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001271607304 1186334826 /nfs/dbraw/zinc/33/48/26/1186334826.db2.gz DNQYVMWPRFTJJJ-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1 ZINC001271758436 1186464313 /nfs/dbraw/zinc/46/43/13/1186464313.db2.gz XDIYNZWMFHSQTJ-XLSFWRCKSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)c(C)n1 ZINC001482533716 1186544855 /nfs/dbraw/zinc/54/48/55/1186544855.db2.gz NNKGIWTWICFLSB-GOSISDBHSA-N 2 0 346.519 2.413 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1F ZINC001482569819 1186904842 /nfs/dbraw/zinc/90/48/42/1186904842.db2.gz HEZUWRZHXRLBFE-DYVFJYSZSA-N 2 0 339.430 2.147 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCc1ccccc1F ZINC001279149189 1186954392 /nfs/dbraw/zinc/95/43/92/1186954392.db2.gz NRQMGMCIYAJCQX-DOTOQJQBSA-N 2 0 335.467 2.004 10 0 EEAERP Cc1ccc(CCC[N@@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001482650596 1187481854 /nfs/dbraw/zinc/48/18/54/1187481854.db2.gz XQKOMSFWQDONGD-UHFFFAOYSA-N 2 0 331.504 2.414 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]C[C@H]2CCC(F)(F)C2)CCC1 ZINC001483019097 1188006882 /nfs/dbraw/zinc/00/68/82/1188006882.db2.gz VCYXQVLFJVPCEY-XGACYXMMSA-N 2 0 329.435 2.168 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001483024807 1188014145 /nfs/dbraw/zinc/01/41/45/1188014145.db2.gz RZZCQCZYXIEPJD-HFZJXRFXSA-N 2 0 348.516 2.230 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1Cl ZINC001483045483 1188250950 /nfs/dbraw/zinc/25/09/50/1188250950.db2.gz XLOPXVLMLLUCKW-RXYHWBRQSA-N 2 0 339.842 2.335 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001483069884 1188417540 /nfs/dbraw/zinc/41/75/40/1188417540.db2.gz PHZILLRLKSSDTR-ONEGZZNKSA-N 2 0 345.487 2.189 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001483082126 1188445093 /nfs/dbraw/zinc/44/50/93/1188445093.db2.gz KWCFMHWEDGKHAX-XDXAGZTOSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]C/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001409296234 1188611028 /nfs/dbraw/zinc/61/10/28/1188611028.db2.gz VPKFABDEDCXSMA-OLJLRAKLSA-N 2 0 336.307 2.376 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001272889697 1193592725 /nfs/dbraw/zinc/59/27/25/1193592725.db2.gz OWEZTTCWEMDIHV-HNNXBMFYSA-N 2 0 333.451 2.439 10 0 EEAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCCN1C1CCCC1 ZINC001483376166 1190417903 /nfs/dbraw/zinc/41/79/03/1190417903.db2.gz DJHUTMCBOWWHNT-SJLPKXTDSA-N 2 0 337.508 2.033 10 0 EEAERP Cc1ncsc1C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483472190 1190495390 /nfs/dbraw/zinc/49/53/90/1190495390.db2.gz PYXXOIKSINHHEY-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC(C)c1cnc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001483493439 1190510792 /nfs/dbraw/zinc/51/07/92/1190510792.db2.gz YSUDEGOHEHMLNL-OAHLLOKOSA-N 2 0 336.480 2.078 10 0 EEAERP COc1cc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001483504264 1190518420 /nfs/dbraw/zinc/51/84/20/1190518420.db2.gz LILDSCCEAHTSRZ-SFHVURJKSA-N 2 0 347.503 2.284 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1oc(C)nc1C)C1CC1 ZINC001483608023 1190586974 /nfs/dbraw/zinc/58/69/74/1190586974.db2.gz QAFVHEIRGBWSER-DLBZAZTESA-N 2 0 348.491 2.150 10 0 EEAERP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001409829940 1190661430 /nfs/dbraw/zinc/66/14/30/1190661430.db2.gz FTIFERNGNQXTNP-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2)[NH+](C)C ZINC001486146331 1193697241 /nfs/dbraw/zinc/69/72/41/1193697241.db2.gz MTTLZAANHATFJM-SCTDSRPQSA-N 2 0 330.476 2.035 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001272543231 1190872943 /nfs/dbraw/zinc/87/29/43/1190872943.db2.gz CSUZVUCFJLUIMZ-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1ccncc1C[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001409901031 1190966931 /nfs/dbraw/zinc/96/69/31/1190966931.db2.gz DWGCMJFMPVTGEP-APWZRJJASA-N 2 0 344.503 2.201 10 0 EEAERP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001484099329 1191210223 /nfs/dbraw/zinc/21/02/23/1191210223.db2.gz GNPCQYMCTFJGPB-QFBILLFUSA-N 2 0 330.476 2.074 10 0 EEAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](CC2CCCC2)C1 ZINC001484175359 1191260687 /nfs/dbraw/zinc/26/06/87/1191260687.db2.gz VSILPHPTHCLYLY-IBGZPJMESA-N 2 0 333.520 2.491 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(CC[NH2+]CC2CC2)Cc2ccccc2)C1 ZINC001484400631 1191335116 /nfs/dbraw/zinc/33/51/16/1191335116.db2.gz YBOMAMGKYJYWRD-KRWDZBQOSA-N 2 0 329.488 2.357 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)co1 ZINC001484520009 1191394157 /nfs/dbraw/zinc/39/41/57/1191394157.db2.gz CHYXYWOCOONXBH-AEFFLSMTSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484535997 1191403753 /nfs/dbraw/zinc/40/37/53/1191403753.db2.gz MMYQVKKMBIHGTO-KRWDZBQOSA-N 2 0 344.503 2.060 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484546855 1191408466 /nfs/dbraw/zinc/40/84/66/1191408466.db2.gz KQSWINXLKHLEJA-IRXDYDNUSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)c(C)n1 ZINC001484648906 1191455014 /nfs/dbraw/zinc/45/50/14/1191455014.db2.gz NVYFQWYEPGJRQO-UHFFFAOYSA-N 2 0 344.503 2.169 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001484772120 1191514435 /nfs/dbraw/zinc/51/44/35/1191514435.db2.gz LXQLIFFPIKBWGB-IAGOWNOFSA-N 2 0 348.491 2.082 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCOC(C)C)C2)C1)[NH+](C)C ZINC001484830133 1191537854 /nfs/dbraw/zinc/53/78/54/1191537854.db2.gz KQMLKSAIMCIGTR-IEBWSBKVSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001485229810 1191699075 /nfs/dbraw/zinc/69/90/75/1191699075.db2.gz MGQXAOKBPLQYOQ-CHWSQXEVSA-N 2 0 326.872 2.058 10 0 EEAERP CC[C@H](C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001485258812 1191713994 /nfs/dbraw/zinc/71/39/94/1191713994.db2.gz UNCVAZLLSPFWCL-YESZJQIVSA-N 2 0 341.540 2.216 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001485455906 1191792051 /nfs/dbraw/zinc/79/20/51/1191792051.db2.gz AAOLUGAHEZVURQ-HNNXBMFYSA-N 2 0 325.472 2.239 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001486210762 1193750999 /nfs/dbraw/zinc/75/09/99/1193750999.db2.gz PTAACLOKGOTZKG-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C(C)(C)C1 ZINC001486241235 1193767366 /nfs/dbraw/zinc/76/73/66/1193767366.db2.gz UIZUQZXFJGWNDB-QGZVFWFLSA-N 2 0 335.467 2.434 10 0 EEAERP CC/C=C/CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001486286094 1193791977 /nfs/dbraw/zinc/79/19/77/1193791977.db2.gz SPOPECNQRHAVJY-RTRPANQVSA-N 2 0 344.459 2.022 10 0 EEAERP C[C@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520539 1194041937 /nfs/dbraw/zinc/04/19/37/1194041937.db2.gz DVHXBFFKZXGMRJ-HKUYNNGSSA-N 2 0 349.519 2.178 10 0 EEAERP COc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001273123461 1194407098 /nfs/dbraw/zinc/40/70/98/1194407098.db2.gz UUMZSJVXQVALAF-AEFFLSMTSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001273201674 1197496942 /nfs/dbraw/zinc/49/69/42/1197496942.db2.gz BXMWIZGIMOXHFP-CQSZACIVSA-N 2 0 336.480 2.152 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl ZINC001273203191 1197508192 /nfs/dbraw/zinc/50/81/92/1197508192.db2.gz HTJRGDZJTPQMMY-ZDUSSCGKSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)c(C)n1 ZINC001410332786 1197720468 /nfs/dbraw/zinc/72/04/68/1197720468.db2.gz RUYDFTDLAPNJIS-IBGZPJMESA-N 2 0 344.503 2.121 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145877 1198054382 /nfs/dbraw/zinc/05/43/82/1198054382.db2.gz XXVNLYJETGLQRT-MJGOQNOKSA-N 2 0 346.471 2.500 10 0 EEAERP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)C[C@H]1C(F)(F)F ZINC000872151437 1198059569 /nfs/dbraw/zinc/05/95/69/1198059569.db2.gz WGQRZJIBIYEFKB-UONOGXRCSA-N 2 0 341.377 2.035 10 0 EEAERP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1)C1CCCC1 ZINC000872156119 1198062494 /nfs/dbraw/zinc/06/24/94/1198062494.db2.gz DYVANXDGPBBQGG-LPHOPBHVSA-N 2 0 344.503 2.317 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000872216067 1198092591 /nfs/dbraw/zinc/09/25/91/1198092591.db2.gz NJGLBJAORZNVFR-MOPGFXCFSA-N 2 0 346.515 2.400 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)NC1CCC(C)([NH+](C)C)CC1 ZINC000865260505 1198145400 /nfs/dbraw/zinc/14/54/00/1198145400.db2.gz FPDGZKZSIZHEIX-UHFFFAOYSA-N 2 0 328.570 2.301 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001279180759 1198432952 /nfs/dbraw/zinc/43/29/52/1198432952.db2.gz GIRRAIBXNSFHMJ-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@@]23CCC[C@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC001410892103 1198545724 /nfs/dbraw/zinc/54/57/24/1198545724.db2.gz CWXRLYYTKLQUPE-UYAOXDASSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C(C)(C)C2)CC1 ZINC001411007798 1198688376 /nfs/dbraw/zinc/68/83/76/1198688376.db2.gz ZGXUXOODLBYMJO-QGZVFWFLSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)cs1 ZINC001411215048 1198925219 /nfs/dbraw/zinc/92/52/19/1198925219.db2.gz XVOKIMBOCRJHBP-GJZGRUSLSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000810177381 1199331703 /nfs/dbraw/zinc/33/17/03/1199331703.db2.gz QHDACLKMBYEOTG-QAPCUYQASA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1C[NH+](C)C ZINC000870016359 1200408681 /nfs/dbraw/zinc/40/86/81/1200408681.db2.gz KXKSQJBLELQNHT-QZTJIDSGSA-N 2 0 340.471 2.046 10 0 EEAERP CC(C)c1scnc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017527 1200409405 /nfs/dbraw/zinc/40/94/05/1200409405.db2.gz BTNXFZPVFLDFPW-ZIAGYGMSSA-N 2 0 338.521 2.078 10 0 EEAERP CC(C)=C[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000870023799 1200412942 /nfs/dbraw/zinc/41/29/42/1200412942.db2.gz AOEYHTPAOHINKC-TVFCKZIOSA-N 2 0 335.536 2.423 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000826075828 1200696079 /nfs/dbraw/zinc/69/60/79/1200696079.db2.gz CNUJCHSXYFWERC-OAHLLOKOSA-N 2 0 338.883 2.422 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870879444 1200927547 /nfs/dbraw/zinc/92/75/47/1200927547.db2.gz GUYGEZQRXUNEGA-BXUZGUMPSA-N 2 0 342.281 2.295 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C(C)C ZINC000870878811 1200927652 /nfs/dbraw/zinc/92/76/52/1200927652.db2.gz MMDKSVQLVASWEN-AWEZNQCLSA-N 2 0 342.281 2.295 10 0 EEAERP [NH3+][C@H](C(=O)NCC1([NH3+])CCCCC1)c1cccc(Br)c1 ZINC000870933859 1200964479 /nfs/dbraw/zinc/96/44/79/1200964479.db2.gz ZDXMVDJCEPESQK-ZDUSSCGKSA-N 2 0 340.265 2.227 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)[C@@H](C)C1 ZINC000866575129 1201551297 /nfs/dbraw/zinc/55/12/97/1201551297.db2.gz IOEXVIJAOOYRKW-MAUKXSAKSA-N 2 0 330.476 2.032 10 0 EEAERP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000868187850 1201760246 /nfs/dbraw/zinc/76/02/46/1201760246.db2.gz NLXMLJGHZKUYPV-IHETXDGRSA-N 2 0 346.475 2.122 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001274368345 1205011968 /nfs/dbraw/zinc/01/19/68/1205011968.db2.gz LGZUTJHQDWDQDA-WNEUIUNWSA-N 2 0 333.451 2.491 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001274578090 1205085669 /nfs/dbraw/zinc/08/56/69/1205085669.db2.gz FCIBJWIJQSWUSQ-YIEVGGLXSA-N 2 0 327.428 2.147 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274760369 1205155244 /nfs/dbraw/zinc/15/52/44/1205155244.db2.gz MNYDDUOAHZBYQF-BEFAXECRSA-N 2 0 347.478 2.194 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001274906547 1205205309 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ZINC000924646099 1206010544 /nfs/dbraw/zinc/01/05/44/1206010544.db2.gz KAPDPSKGRKWTLN-OALUTQOASA-N 2 0 345.531 2.455 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000924651956 1206011701 /nfs/dbraw/zinc/01/17/01/1206011701.db2.gz YYUOEHXTUCRHTO-UHFFFAOYSA-N 2 0 345.491 2.165 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)ccn2)CC1 ZINC000924687915 1206018325 /nfs/dbraw/zinc/01/83/25/1206018325.db2.gz CZVBRQGDFGMZQB-AZUAARDMSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC[N@@H+]1C ZINC000925314072 1206094826 /nfs/dbraw/zinc/09/48/26/1206094826.db2.gz CRORNDGGSOIVQQ-AEFFLSMTSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+](C)CCc3ccccc3)C2)CC[N@@H+]1C ZINC000925340020 1206099543 /nfs/dbraw/zinc/09/95/43/1206099543.db2.gz AWRMUDRYINQMBX-NEWSRXKRSA-N 2 0 344.503 2.037 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)C2)c1 ZINC000925554172 1206127141 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KXVOWMFSHQDFMA-HZPDHXFCSA-N 2 0 348.491 2.384 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000927701663 1206292822 /nfs/dbraw/zinc/29/28/22/1206292822.db2.gz UVYDVLCFAHFRBI-LMMKCTJWSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[NH+](C)C ZINC000928124311 1206348728 /nfs/dbraw/zinc/34/87/28/1206348728.db2.gz IKWQPVONDKRAOX-BPLDGKMQSA-N 2 0 343.393 2.116 10 0 EEAERP CCc1onc(C)c1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000930093649 1206534399 /nfs/dbraw/zinc/53/43/99/1206534399.db2.gz CSPRGZBGXGUOCB-SJPCQFCGSA-N 2 0 332.492 2.288 10 0 EEAERP C[C@H](O)[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931083296 1206605493 /nfs/dbraw/zinc/60/54/93/1206605493.db2.gz JPFKNWCSXFFHMF-FFZOFVMBSA-N 2 0 346.515 2.351 10 0 EEAERP COC1(OC)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000931639681 1207430626 /nfs/dbraw/zinc/43/06/26/1207430626.db2.gz ZTIJKXACNTZRBS-IBGZPJMESA-N 2 0 348.487 2.228 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)C[C@]2(C)C1 ZINC000933732600 1207828642 /nfs/dbraw/zinc/82/86/42/1207828642.db2.gz UGRZFWYEVJJYJL-POAQFYNOSA-N 2 0 327.472 2.032 10 0 EEAERP C=Cn1cc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000718010808 1211701115 /nfs/dbraw/zinc/70/11/15/1211701115.db2.gz KBFPREDNEQWEEI-UHFFFAOYSA-N 2 0 340.471 2.490 10 0 EEAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)o1 ZINC000900417569 1234336073 /nfs/dbraw/zinc/33/60/73/1234336073.db2.gz INTINNVRIXSTRB-WMZOPIPTSA-N 2 0 333.476 2.495 10 0 EEAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000900895793 1234970302 /nfs/dbraw/zinc/97/03/02/1234970302.db2.gz RORJYSNYDWGHGT-SFHVURJKSA-N 2 0 327.472 2.063 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000900905469 1234983063 /nfs/dbraw/zinc/98/30/63/1234983063.db2.gz VMANHYMMGKLGKD-LJQANCHMSA-N 2 0 341.499 2.453 10 0 EEAERP C[C@H]1C[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC000901192342 1235357780 /nfs/dbraw/zinc/35/77/80/1235357780.db2.gz LMVJAQTUTHRNOO-PKOBYXMFSA-N 2 0 341.499 2.499 10 0 EEAERP CC(C)C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCOCC1 ZINC000902793753 1238547168 /nfs/dbraw/zinc/54/71/68/1238547168.db2.gz LMTWXEIHNKXPAZ-IBGZPJMESA-N 2 0 325.541 2.445 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902994906 1239290163 /nfs/dbraw/zinc/29/01/63/1239290163.db2.gz UAFIQYZEJRKJTI-HROONELDSA-N 2 0 345.487 2.315 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1(C)C ZINC000903189387 1239971516 /nfs/dbraw/zinc/97/15/16/1239971516.db2.gz VIYCTXKSGMASEB-CQSZACIVSA-N 2 0 345.553 2.089 10 0 EEAERP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@@H](N3CCOCC3)C13CCC3)C2 ZINC000903204851 1240008613 /nfs/dbraw/zinc/00/86/13/1240008613.db2.gz WZKRYJLEYXXUTB-CUCSMPGESA-N 2 0 345.531 2.377 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000903432480 1240458707 /nfs/dbraw/zinc/45/87/07/1240458707.db2.gz CENRZLBAEGRUJA-MJGOQNOKSA-N 2 0 329.488 2.009 10 0 EEAERP COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455298 1240518915 /nfs/dbraw/zinc/51/89/15/1240518915.db2.gz SMUULQMEXYYMQL-OCCSQVGLSA-N 2 0 326.387 2.457 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(OC)c(Cl)c1)C2 ZINC000903492413 1240656666 /nfs/dbraw/zinc/65/66/66/1240656666.db2.gz CFMVWLUKTLBHAC-AHIWAGSCSA-N 2 0 338.835 2.061 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1ncc(C(C)(C)C)o1)C2 ZINC000903493258 1240661321 /nfs/dbraw/zinc/66/13/21/1240661321.db2.gz QZSBTNNVKMGVKJ-JWXAPSBJSA-N 2 0 335.448 2.245 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)C[C@H]1CC[NH3+] ZINC000903494917 1240666694 /nfs/dbraw/zinc/66/66/94/1240666694.db2.gz QMFCRBKPZMLJAR-VXGBXAGGSA-N 2 0 327.375 2.143 10 0 EEAERP CCCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903497094 1240677139 /nfs/dbraw/zinc/67/71/39/1240677139.db2.gz PHGOKGKQVSLFFT-SJLPKXTDSA-N 2 0 347.503 2.398 10 0 EEAERP COc1ccc2c(c1)CCC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903891353 1242353972 /nfs/dbraw/zinc/35/39/72/1242353972.db2.gz LZBSMMLWGTWQDD-MRXNPFEDSA-N 2 0 342.487 2.303 10 0 EEAERP COc1ccccc1CC[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903892502 1242355096 /nfs/dbraw/zinc/35/50/96/1242355096.db2.gz TZWCFDXHSCSQHZ-INIZCTEOSA-N 2 0 330.476 2.029 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cnn1C ZINC000903912340 1242451486 /nfs/dbraw/zinc/45/14/86/1242451486.db2.gz DERBQQVPVUVRTP-KXBFYZLASA-N 2 0 346.450 2.138 10 0 EEAERP Cc1ccccc1OCCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922695 1242512471 /nfs/dbraw/zinc/51/24/71/1242512471.db2.gz CBADTGLMJJRABF-INIZCTEOSA-N 2 0 329.448 2.070 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000903936331 1242577487 /nfs/dbraw/zinc/57/74/87/1242577487.db2.gz ZGYHNXLPJQNPDY-QGZVKYPTSA-N 2 0 337.471 2.438 10 0 EEAERP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903955681 1242705990 /nfs/dbraw/zinc/70/59/90/1242705990.db2.gz AERUIFHWRPHDHQ-ZDUSSCGKSA-N 2 0 331.451 2.248 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001491071691 1258639109 /nfs/dbraw/zinc/63/91/09/1258639109.db2.gz FCILAFZQUGTSPA-GASCZTMLSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001491252870 1258846705 /nfs/dbraw/zinc/84/67/05/1258846705.db2.gz FWSKFFOPFKVPIO-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](F)CC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001491353925 1258986901 /nfs/dbraw/zinc/98/69/01/1258986901.db2.gz GERSYPUBRFRPRD-FHERZECASA-N 2 0 325.472 2.380 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)co1 ZINC001267887045 1276746629 /nfs/dbraw/zinc/74/66/29/1276746629.db2.gz ASBPTJUSRVBITI-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001490896403 1286576718 /nfs/dbraw/zinc/57/67/18/1286576718.db2.gz OVXLOADKDURRFH-BZUAXINKSA-N 2 0 327.488 2.339 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001488850994 1290247068 /nfs/dbraw/zinc/24/70/68/1290247068.db2.gz JISWCZKWQMRMRO-KKUMJFAQSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)C[C@@H](C)n2ccnc2)o1 ZINC001490253825 1291073079 /nfs/dbraw/zinc/07/30/79/1291073079.db2.gz IWTPQOLBHNKTOB-CYBMUJFWSA-N 2 0 333.436 2.077 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cc(C)no1 ZINC001490324617 1291215860 /nfs/dbraw/zinc/21/58/60/1291215860.db2.gz IXDNIJWWJIPAIN-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000853092905 1292278293 /nfs/dbraw/zinc/27/82/93/1292278293.db2.gz UGOULXXEEZWCGS-LJQANCHMSA-N 2 0 344.455 2.459 10 0 EEAERP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000854228395 1292680272 /nfs/dbraw/zinc/68/02/72/1292680272.db2.gz VKALEBUMJPBEIT-KOHRHEQBSA-N 2 0 329.444 2.382 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585194 1293572048 /nfs/dbraw/zinc/57/20/48/1293572048.db2.gz ANUDQDYEYNWLHW-ICSRJNTNSA-N 2 0 346.519 2.471 10 0 EEAERP Cc1ccc(F)c2[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000859222125 1294353268 /nfs/dbraw/zinc/35/32/68/1294353268.db2.gz JQSNFOZWVXDRQI-UHFFFAOYSA-N 2 0 334.439 2.181 10 0 EEAERP CCO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000926960117 1296969885 /nfs/dbraw/zinc/96/98/85/1296969885.db2.gz DQCFXOAMWMIYSH-RLLQIKCJSA-N 2 0 333.520 2.453 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC[C@H]2CCCCO2)CCC1 ZINC001277866802 1304975553 /nfs/dbraw/zinc/97/55/53/1304975553.db2.gz YTDJJBSKPVWGNC-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001278004771 1305656504 /nfs/dbraw/zinc/65/65/04/1305656504.db2.gz FOYBQQWSTUUBJV-BWVNKGDMSA-N 2 0 327.900 2.440 10 0 EEAERP CCOC(=O)CC(C)(C)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000839097569 1315201225 /nfs/dbraw/zinc/20/12/25/1315201225.db2.gz SKQVDAAUHZWHAW-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCCN2CCOCC2)[C@@H]1C ZINC001278521419 1317131727 /nfs/dbraw/zinc/13/17/27/1317131727.db2.gz NKUSFNUBOAORBI-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001278542084 1317188807 /nfs/dbraw/zinc/18/88/07/1317188807.db2.gz GNITVTXGCWNLNO-HNNXBMFYSA-N 2 0 335.414 2.109 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001316655671 1328948501 /nfs/dbraw/zinc/94/85/01/1328948501.db2.gz UYLYHBNIBFIDFG-GVDBMIGSSA-N 2 0 327.488 2.341 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1OCC ZINC001263975715 1322574578 /nfs/dbraw/zinc/57/45/78/1322574578.db2.gz NUXAEIDUOOJZHF-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001264121879 1322633604 /nfs/dbraw/zinc/63/36/04/1322633604.db2.gz BEWXSMGENXRUGL-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264755332 1322809919 /nfs/dbraw/zinc/80/99/19/1322809919.db2.gz NQPKOSSQTHCALV-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001265068337 1322904973 /nfs/dbraw/zinc/90/49/73/1322904973.db2.gz GPFYAZBIHZNNJO-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cnoc1C ZINC001265147966 1322948740 /nfs/dbraw/zinc/94/87/40/1322948740.db2.gz QGCNPIMCQRLBOG-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265393368 1323123342 /nfs/dbraw/zinc/12/33/42/1323123342.db2.gz XGTNCSBVDBZEEW-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001265459700 1323167254 /nfs/dbraw/zinc/16/72/54/1323167254.db2.gz KALSDLSSGRVLHD-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001265461340 1323168382 /nfs/dbraw/zinc/16/83/82/1323168382.db2.gz ORGRZJBLTYCRRA-INIZCTEOSA-N 2 0 343.462 2.488 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265492786 1323182248 /nfs/dbraw/zinc/18/22/48/1323182248.db2.gz YHESUAIHADRLPA-XSLAGTTESA-N 2 0 339.524 2.016 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)[C@H](C)c2cnccn2)C1 ZINC001265907757 1323475657 /nfs/dbraw/zinc/47/56/57/1323475657.db2.gz BTOMJWNWFSQTEU-IAGOWNOFSA-N 2 0 347.507 2.098 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001265945672 1323508849 /nfs/dbraw/zinc/50/88/49/1323508849.db2.gz UEQUABCPHDZIOA-OALUTQOASA-N 2 0 329.488 2.070 10 0 EEAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001265954364 1323516752 /nfs/dbraw/zinc/51/67/52/1323516752.db2.gz OOAPIXFAJCYECT-LJQANCHMSA-N 2 0 331.504 2.454 10 0 EEAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001266113848 1323681960 /nfs/dbraw/zinc/68/19/60/1323681960.db2.gz SWHCFHOUQORDDI-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001279581844 1323945915 /nfs/dbraw/zinc/94/59/15/1323945915.db2.gz KMFWTHPJIGMCHO-NVXWUHKLSA-N 2 0 325.472 2.357 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001279588756 1323950092 /nfs/dbraw/zinc/95/00/92/1323950092.db2.gz UOWPOAIDRIHDSZ-RCCFBDPRSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001279669015 1323975086 /nfs/dbraw/zinc/97/50/86/1323975086.db2.gz OFKWKSHQOPKJCD-CQSZACIVSA-N 2 0 333.398 2.029 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001280295556 1324146014 /nfs/dbraw/zinc/14/60/14/1324146014.db2.gz JELQKNFJMKWWOR-HOTGVXAUSA-N 2 0 348.491 2.078 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001280440990 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OOARGIOYKDHCFX-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316860002 1331938601 /nfs/dbraw/zinc/93/86/01/1331938601.db2.gz SQOIASRIMYGWCE-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)Cc1cccc(F)c1 ZINC001316864614 1331939429 /nfs/dbraw/zinc/93/94/29/1331939429.db2.gz KJAODYYHALONKS-IBGZPJMESA-N 2 0 333.451 2.250 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](Cc2ccc(F)cn2)C2CC2)C1 ZINC001316922657 1331989049 /nfs/dbraw/zinc/98/90/49/1331989049.db2.gz CWGXKBHMGUDTFF-HNNXBMFYSA-N 2 0 348.466 2.033 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600590 1332319385 /nfs/dbraw/zinc/31/93/85/1332319385.db2.gz LAPHVTJMFMRJAH-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001317619047 1332330637 /nfs/dbraw/zinc/33/06/37/1332330637.db2.gz QZENRFYDTORZAA-GOSISDBHSA-N 2 0 333.476 2.116 10 0 EEAERP 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CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001323872917 1333563942 /nfs/dbraw/zinc/56/39/42/1333563942.db2.gz MIKXMWBMLUBFDC-LLHWWHOWSA-N 2 0 331.504 2.363 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001324082782 1333604576 /nfs/dbraw/zinc/60/45/76/1333604576.db2.gz SYZIUNOFNVKNFA-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001325533865 1333905738 /nfs/dbraw/zinc/90/57/38/1333905738.db2.gz ZXPDNIVDOCXKKP-JBLNNTITSA-N 2 0 325.884 2.051 10 0 EEAERP C[NH+](C)C1(C(=O)N(CC[NH2+]CC2CC2)Cc2ccccc2)CCC1 ZINC001325693620 1333942230 /nfs/dbraw/zinc/94/22/30/1333942230.db2.gz LHUXLXARRYCQGM-UHFFFAOYSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CCc3cccs3)C2)CC1 ZINC001326350272 1334074130 /nfs/dbraw/zinc/07/41/30/1334074130.db2.gz QJKUUBQUXFWCOU-MRXNPFEDSA-N 2 0 349.544 2.461 10 0 EEAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001326603653 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339.524 2.116 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001662388764 1354789606 /nfs/dbraw/zinc/78/96/06/1354789606.db2.gz QEIUVHYIBDSDMC-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)C1 ZINC001662872336 1354871083 /nfs/dbraw/zinc/87/10/83/1354871083.db2.gz KYOMXVPHXJYUJK-GOSISDBHSA-N 2 0 332.492 2.236 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001662919386 1354876798 /nfs/dbraw/zinc/87/67/98/1354876798.db2.gz TVZHRYBKUDFFPP-KZNAEPCWSA-N 2 0 347.503 2.198 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC001663123853 1354923492 /nfs/dbraw/zinc/92/34/92/1354923492.db2.gz LQBWTPLLKVELBQ-OAHLLOKOSA-N 2 0 336.505 2.100 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001663981790 1355067932 /nfs/dbraw/zinc/06/79/32/1355067932.db2.gz VCOIOZRAZFCGMZ-LJQANCHMSA-N 2 0 344.503 2.345 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001664032527 1355077242 /nfs/dbraw/zinc/07/72/42/1355077242.db2.gz CDMAMBLXFPTVQG-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC[NH2+]C/C=C/c1ccc(Cl)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664369882 1355148582 /nfs/dbraw/zinc/14/85/82/1355148582.db2.gz OISFOSCGJKHQAY-CWDCEQMOSA-N 2 0 335.879 2.353 10 0 EEAERP C[C@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001664467452 1355171395 /nfs/dbraw/zinc/17/13/95/1355171395.db2.gz LSFLIBXPNDHUEM-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCc1cccs1 ZINC001664557803 1355192958 /nfs/dbraw/zinc/19/29/58/1355192958.db2.gz NEZUVFKDKBPTHN-INIZCTEOSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001665642607 1355345330 /nfs/dbraw/zinc/34/53/30/1355345330.db2.gz WZSOYGUKHGVSEB-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP COCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001666110843 1355454114 /nfs/dbraw/zinc/45/41/14/1355454114.db2.gz KPVOHEKDQFOAIL-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001666147271 1355467718 /nfs/dbraw/zinc/46/77/18/1355467718.db2.gz XKYOVFYDHVIFFQ-AEFFLSMTSA-N 2 0 332.492 2.140 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cccnc2C)CC1 ZINC001666256606 1355497562 /nfs/dbraw/zinc/49/75/62/1355497562.db2.gz ROCSPVGOYHALQV-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1 ZINC001666482303 1355530798 /nfs/dbraw/zinc/53/07/98/1355530798.db2.gz AXVAGVIJOLSJQR-LJQANCHMSA-N 2 0 329.488 2.214 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001666983310 1355626788 /nfs/dbraw/zinc/62/67/88/1355626788.db2.gz YRODUNCMQDICNF-QGZVFWFLSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]Cc2cccnc2)C1 ZINC001667284384 1355698491 /nfs/dbraw/zinc/69/84/91/1355698491.db2.gz KMIVFKUMIQTTNY-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001668280053 1355914943 /nfs/dbraw/zinc/91/49/43/1355914943.db2.gz YWNGRURBVOPZJF-OCCSQVGLSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668324713 1355923514 /nfs/dbraw/zinc/92/35/14/1355923514.db2.gz CSYBCPVWSWZEQW-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668426256 1355938642 /nfs/dbraw/zinc/93/86/42/1355938642.db2.gz DUPQGLNAMDFFKW-KRWDZBQOSA-N 2 0 336.455 2.032 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001668453281 1355944187 /nfs/dbraw/zinc/94/41/87/1355944187.db2.gz NORVCVWSKPCLKO-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC/C=C/c1ccccc1 ZINC001668978639 1356060030 /nfs/dbraw/zinc/06/00/30/1356060030.db2.gz LJRKYOGXIKWCME-OICKUNAASA-N 2 0 327.472 2.446 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001669038832 1356073634 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0 335.467 2.194 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669664871 1356191336 /nfs/dbraw/zinc/19/13/36/1356191336.db2.gz OFGGXDVEZACHBH-MAUKXSAKSA-N 2 0 345.503 2.108 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001669974128 1356253854 /nfs/dbraw/zinc/25/38/54/1356253854.db2.gz QXKPJINPPVHAKK-MSOLQXFVSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C12CC[NH+](CC1)C2 ZINC001670312249 1356317499 /nfs/dbraw/zinc/31/74/99/1356317499.db2.gz GIUMCCNHCONHIO-UHFFFAOYSA-N 2 0 341.499 2.209 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)co1 ZINC001672810662 1356589835 /nfs/dbraw/zinc/58/98/35/1356589835.db2.gz QFMNIWKDRKGXRS-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001672839682 1356597157 /nfs/dbraw/zinc/59/71/57/1356597157.db2.gz PABCQZNEHWVNSJ-VQIMIIECSA-N 2 0 345.487 2.118 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001673230085 1356656092 /nfs/dbraw/zinc/65/60/92/1356656092.db2.gz HEDQXXKJIICNFN-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001673401567 1356685923 /nfs/dbraw/zinc/68/59/23/1356685923.db2.gz DABSAAGYZBUBSB-QGZVFWFLSA-N 2 0 337.508 2.034 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001675782084 1357049067 /nfs/dbraw/zinc/04/90/67/1357049067.db2.gz QGDWGZAHKOQLKP-QPSJONLNSA-N 2 0 327.900 2.345 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001675953005 1357076649 /nfs/dbraw/zinc/07/66/49/1357076649.db2.gz GPIAQVWUSLHXJQ-WMZOPIPTSA-N 2 0 349.523 2.323 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692121019 1404982986 /nfs/dbraw/zinc/98/29/86/1404982986.db2.gz MIAHSKOQUKWIBE-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001699109080 1405264984 /nfs/dbraw/zinc/26/49/84/1405264984.db2.gz YHQVYMLRFXSBTR-DYVFJYSZSA-N 2 0 336.480 2.150 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)C12CC[NH+](CC1)C2 ZINC001699545209 1405379913 /nfs/dbraw/zinc/37/99/13/1405379913.db2.gz IRLDKJHEJDQMKV-GOSISDBHSA-N 2 0 327.472 2.208 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)Cc2[nH]cnc2C)c1C ZINC001699549082 1405383897 /nfs/dbraw/zinc/38/38/97/1405383897.db2.gz SZARTFKXSBOTSD-UHFFFAOYSA-N 2 0 344.459 2.216 10 0 EEAERP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000689850716 761013101 /nfs/dbraw/zinc/01/31/01/761013101.db2.gz KCFXTPDIACMLHO-PKOBYXMFSA-N 2 0 332.488 2.418 10 0 EEAERP C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[NH+]1CCCCC1 ZINC000919655199 770155713 /nfs/dbraw/zinc/15/57/13/770155713.db2.gz UEPJMMFQGGQNPL-IEBWSBKVSA-N 2 0 346.519 2.333 10 0 EEAERP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000819015384 785383225 /nfs/dbraw/zinc/38/32/25/785383225.db2.gz GIWJKJUUGMTRBW-YLJYHZDGSA-N 2 0 343.446 2.408 10 0 EEAERP Cn1cc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cn1 ZINC000820813071 786465818 /nfs/dbraw/zinc/46/58/18/786465818.db2.gz YGDPHJAJPNKAEY-DUZACMNTSA-N 2 0 329.492 2.136 10 0 EEAERP Cn1nccc1[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000922969847 788463317 /nfs/dbraw/zinc/46/33/17/788463317.db2.gz GREOUBGAEYSYNZ-MJGOQNOKSA-N 2 0 340.471 2.240 10 0 EEAERP C[C@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)[NH+](C)C ZINC000913083731 788614750 /nfs/dbraw/zinc/61/47/50/788614750.db2.gz DRSSDNAOSDVISI-AHRSYUTCSA-N 2 0 329.488 2.307 10 0 EEAERP C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303511 789342614 /nfs/dbraw/zinc/34/26/14/789342614.db2.gz FENUTJTWQVYJDD-AWEZNQCLSA-N 2 0 325.250 2.259 10 0 EEAERP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923333150 789392376 /nfs/dbraw/zinc/39/23/76/789392376.db2.gz UUFHAHQRHBZLCV-SRVKXCTJSA-N 2 0 333.259 2.402 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)ccn1 ZINC000844911862 789483156 /nfs/dbraw/zinc/48/31/56/789483156.db2.gz ANFVUQGVOZJFJV-HUUCEWRRSA-N 2 0 343.431 2.275 10 0 EEAERP O[C@@H](COc1ccccc1F)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923388919 789485391 /nfs/dbraw/zinc/48/53/91/789485391.db2.gz PPGZQVOWWSNEBE-DLBZAZTESA-N 2 0 336.451 2.277 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2COc3ccccc3O2)C1 ZINC000923393648 789487004 /nfs/dbraw/zinc/48/70/04/789487004.db2.gz VJXLDOSFUXZEFQ-NNFUDEMPSA-N 2 0 332.444 2.187 10 0 EEAERP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1F ZINC000923452538 789584917 /nfs/dbraw/zinc/58/49/17/789584917.db2.gz HJJHYTLGIYOWSP-HOCLYGCPSA-N 2 0 349.450 2.291 10 0 EEAERP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502512 789666606 /nfs/dbraw/zinc/66/66/06/789666606.db2.gz ZIYXCPFQRQUGOG-KFWWJZLASA-N 2 0 333.501 2.431 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502950 789668739 /nfs/dbraw/zinc/66/87/39/789668739.db2.gz FIYABTUBYIUTAN-CHWSQXEVSA-N 2 0 341.858 2.354 10 0 EEAERP O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000846218718 790092152 /nfs/dbraw/zinc/09/21/52/790092152.db2.gz WYXAMOMCIKDEQO-IBGZPJMESA-N 2 0 327.472 2.309 10 0 EEAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000913629297 794001632 /nfs/dbraw/zinc/00/16/32/794001632.db2.gz WEVXXGCLBNKPCI-INIZCTEOSA-N 2 0 331.435 2.002 10 0 EEAERP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687515 794106257 /nfs/dbraw/zinc/10/62/57/794106257.db2.gz MIELKEDEZAKGHF-FUMNGEBKSA-N 2 0 339.483 2.489 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccnc1 ZINC000913936555 794605009 /nfs/dbraw/zinc/60/50/09/794605009.db2.gz RSDSBFRGCMSWCE-GOSISDBHSA-N 2 0 347.507 2.250 10 0 EEAERP Cn1nc2c(c1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000921695776 795396658 /nfs/dbraw/zinc/39/66/58/795396658.db2.gz WZFQOXMPQGBBMV-UHFFFAOYSA-N 2 0 342.487 2.182 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c(Cl)n[nH]c3C3CC3)C2)CC1 ZINC000921734352 795643483 /nfs/dbraw/zinc/64/34/83/795643483.db2.gz VQAGVKBJVYGQOE-CYBMUJFWSA-N 2 0 337.899 2.199 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921848115 797202642 /nfs/dbraw/zinc/20/26/42/797202642.db2.gz GLFVBQYXSNJZOL-RNIPGJKVSA-N 2 0 344.503 2.289 10 0 EEAERP c1csc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001177222927 798808602 /nfs/dbraw/zinc/80/86/02/798808602.db2.gz VGIWLXCHWOMTLF-UHFFFAOYSA-N 2 0 330.501 2.441 10 0 EEAERP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1[nH]nc3ccccc31)C2 ZINC000922386396 800944157 /nfs/dbraw/zinc/94/41/57/800944157.db2.gz HCZVMAWNVNJILH-NXWXRZEISA-N 2 0 328.460 2.132 10 0 EEAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000922502568 801195164 /nfs/dbraw/zinc/19/51/64/801195164.db2.gz DTZSNXFSVYEHAP-MUYFXNHWSA-N 2 0 347.507 2.201 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc[nH]c(=O)c3)cn2)CC1 ZINC000788541492 807567116 /nfs/dbraw/zinc/56/71/16/807567116.db2.gz ZQOVERRDMRHKSW-OAHLLOKOSA-N 2 0 341.459 2.175 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001566125859 1125575229 /nfs/dbraw/zinc/57/52/29/1125575229.db2.gz VEGWQOMHEUXMHH-CQSZACIVSA-N 2 0 336.505 2.012 10 0 EEAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001566453620 1125613210 /nfs/dbraw/zinc/61/32/10/1125613210.db2.gz FNCFWXHVCUJYDB-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001566534712 1125704169 /nfs/dbraw/zinc/70/41/69/1125704169.db2.gz VXEVVKKAYVHEAY-SJLPKXTDSA-N 2 0 349.523 2.218 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC(F)(F)F ZINC001566550816 1125722367 /nfs/dbraw/zinc/72/23/67/1125722367.db2.gz WILOBNLQLIAQTA-AWEZNQCLSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001436401248 1087747145 /nfs/dbraw/zinc/74/71/45/1087747145.db2.gz FVLMQGUGHIWSFT-YXWQFLTLSA-N 2 0 343.462 2.389 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001436441947 1087841368 /nfs/dbraw/zinc/84/13/68/1087841368.db2.gz IKPNAKIIBONEPP-IXDOHACOSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC001436743343 1088224193 /nfs/dbraw/zinc/22/41/93/1088224193.db2.gz DUDBCTKBSIPFEO-INIZCTEOSA-N 2 0 329.444 2.464 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C2CC2)C1 ZINC001436824385 1088426036 /nfs/dbraw/zinc/42/60/36/1088426036.db2.gz CSWDDVDVABTMCG-ZWKOTPCHSA-N 2 0 333.520 2.393 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)C[C@H]2CCCCO2)C1 ZINC001436855131 1088500301 /nfs/dbraw/zinc/50/03/01/1088500301.db2.gz VZQPETUNSVAXEL-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC001436898339 1088552745 /nfs/dbraw/zinc/55/27/45/1088552745.db2.gz WWGAEUFVAQEFBO-GPMSIDNRSA-N 2 0 327.472 2.395 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001437009764 1088784657 /nfs/dbraw/zinc/78/46/57/1088784657.db2.gz ZMRPANZAYJVMLA-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001437325239 1089492888 /nfs/dbraw/zinc/49/28/88/1089492888.db2.gz QMOAVUXQEKWAGB-GJZGRUSLSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)sn1 ZINC001437330287 1089508989 /nfs/dbraw/zinc/50/89/89/1089508989.db2.gz OOUVQEZZZREXRO-HUUCEWRRSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1nc2ccccc2o1 ZINC001437471163 1089800954 /nfs/dbraw/zinc/80/09/54/1089800954.db2.gz LZHJDANNCFHQKT-INIZCTEOSA-N 2 0 344.459 2.250 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)CC[NH+]2CCCCC2)c(C)n1 ZINC001437561314 1090031012 /nfs/dbraw/zinc/03/10/12/1090031012.db2.gz ACKRKBBYGBSZLC-UHFFFAOYSA-N 2 0 332.492 2.122 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001437567798 1090051687 /nfs/dbraw/zinc/05/16/87/1090051687.db2.gz ZFIHSQCXYXFHSZ-HZPDHXFCSA-N 2 0 333.476 2.116 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cnccc1C ZINC001437626198 1090139312 /nfs/dbraw/zinc/13/93/12/1090139312.db2.gz QPJKVWIATXHXIL-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437719002 1090268342 /nfs/dbraw/zinc/26/83/42/1090268342.db2.gz GJIFZVHKOLDGDM-ZIAGYGMSSA-N 2 0 339.430 2.416 10 0 EEAERP Cc1csc(C[NH+](C)C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001437994899 1090594899 /nfs/dbraw/zinc/59/48/99/1090594899.db2.gz YTJDKJPBEVOZKH-HNNXBMFYSA-N 2 0 338.521 2.072 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001438163602 1090677119 /nfs/dbraw/zinc/67/71/19/1090677119.db2.gz SQWBBZVJZGITFT-GOSISDBHSA-N 2 0 329.488 2.009 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C)nc1C ZINC001438332854 1090806924 /nfs/dbraw/zinc/80/69/24/1090806924.db2.gz LSZUKMMCXYJZSI-KBXCAEBGSA-N 2 0 332.492 2.025 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)cn1 ZINC001438345284 1090822451 /nfs/dbraw/zinc/82/24/51/1090822451.db2.gz QLZKIZPECLDTLU-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001438347561 1090823576 /nfs/dbraw/zinc/82/35/76/1090823576.db2.gz TWDHMOMSDUGGIN-DLBZAZTESA-N 2 0 349.523 2.107 10 0 EEAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1cccnc1C)C1CC1)[NH+](C)C ZINC001438421692 1090915983 /nfs/dbraw/zinc/91/59/83/1090915983.db2.gz LHLWQMPBOWNPJU-IEBWSBKVSA-N 2 0 332.492 2.105 10 0 EEAERP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]Cc1cncs1)C1CC1)C1CCC1 ZINC001438423317 1090918642 /nfs/dbraw/zinc/91/86/42/1090918642.db2.gz ZAYVIBQUFQBYJZ-KRWDZBQOSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438495462 1090993504 /nfs/dbraw/zinc/99/35/04/1090993504.db2.gz YSKNQBFDQQMFDT-LIRRHRJNSA-N 2 0 347.478 2.318 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccccn2)CCCC1 ZINC001438595608 1091085066 /nfs/dbraw/zinc/08/50/66/1091085066.db2.gz HXZCOSBWJFOUQB-GOSISDBHSA-N 2 0 344.503 2.475 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001445593039 1091385187 /nfs/dbraw/zinc/38/51/87/1091385187.db2.gz OLBVVHQSUIMZHC-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001438804916 1091413045 /nfs/dbraw/zinc/41/30/45/1091413045.db2.gz DYPUGQGAVAAIBZ-GJZGRUSLSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001438804918 1091413105 /nfs/dbraw/zinc/41/31/05/1091413105.db2.gz DYPUGQGAVAAIBZ-LSDHHAIUSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001445885936 1091814542 /nfs/dbraw/zinc/81/45/42/1091814542.db2.gz RWYLRISQMHCUFA-OAHLLOKOSA-N 2 0 337.512 2.049 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CC[NH+]1CCCCC1 ZINC001439182196 1091829653 /nfs/dbraw/zinc/82/96/53/1091829653.db2.gz OORKDKXUZVVEPZ-CABCVRRESA-N 2 0 331.451 2.392 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001439414960 1092183571 /nfs/dbraw/zinc/18/35/71/1092183571.db2.gz CRUIWHVIRMESFC-HZPDHXFCSA-N 2 0 336.480 2.089 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001446182011 1092252164 /nfs/dbraw/zinc/25/21/64/1092252164.db2.gz AJIHCZOGJMZSQF-INIZCTEOSA-N 2 0 325.472 2.191 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001446181492 1092252840 /nfs/dbraw/zinc/25/28/40/1092252840.db2.gz JFNYFMHMBFBITP-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001439530581 1092386381 /nfs/dbraw/zinc/38/63/81/1092386381.db2.gz BARXAKGVDBECEV-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001439843622 1092851397 /nfs/dbraw/zinc/85/13/97/1092851397.db2.gz ANKAZZJMFDJWSQ-IBGZPJMESA-N 2 0 339.524 2.114 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001439964887 1093077193 /nfs/dbraw/zinc/07/71/93/1093077193.db2.gz QEFWJGWDFHIGIT-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001440137904 1093202487 /nfs/dbraw/zinc/20/24/87/1093202487.db2.gz RGGGRRFENSQUQX-DLBZAZTESA-N 2 0 348.491 2.125 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1C[C@H]1CCC(F)(F)C1 ZINC001440243366 1093331840 /nfs/dbraw/zinc/33/18/40/1093331840.db2.gz ARJWLJLRTKBIAD-GJZGRUSLSA-N 2 0 331.451 2.296 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCc2cccs2)CC1(C)C ZINC001448398834 1093401382 /nfs/dbraw/zinc/40/13/82/1093401382.db2.gz QOMLEPDKCMFBDS-MRXNPFEDSA-N 2 0 337.533 2.457 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2)CC1(C)C ZINC001448421754 1093431612 /nfs/dbraw/zinc/43/16/12/1093431612.db2.gz WBKUUWSIDZNHNT-QGZVFWFLSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1cnc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]3C2)o1 ZINC001448477830 1093495444 /nfs/dbraw/zinc/49/54/44/1093495444.db2.gz WCPXUOCJWPTXBX-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC001448481481 1093503211 /nfs/dbraw/zinc/50/32/11/1093503211.db2.gz YLVCAIJRCZIHRB-GVDBMIGSSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1)[NH+]1CCCC1 ZINC001440361655 1093525108 /nfs/dbraw/zinc/52/51/08/1093525108.db2.gz IOZNJAJYGRNIJE-LUKYLMHMSA-N 2 0 327.488 2.339 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001440364098 1093529622 /nfs/dbraw/zinc/52/96/22/1093529622.db2.gz WUMQLYIIBBVWOF-FCLICNRPSA-N 2 0 327.900 2.344 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001440385977 1093557766 /nfs/dbraw/zinc/55/77/66/1093557766.db2.gz IKEUBSHSFGSUSE-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001440409550 1093601897 /nfs/dbraw/zinc/60/18/97/1093601897.db2.gz JKFCSRKZPDHXHX-QXAKKESOSA-N 2 0 346.519 2.351 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448602524 1093666368 /nfs/dbraw/zinc/66/63/68/1093666368.db2.gz IPFAKFFCCSWOQU-QFBILLFUSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001448666549 1093734319 /nfs/dbraw/zinc/73/43/19/1093734319.db2.gz AUWJDUPZZQODIQ-HOCLYGCPSA-N 2 0 338.521 2.262 10 0 EEAERP CC[NH+]1CCC(C(=O)NCC[N@H+]2CC=CCC2)(c2ccccc2)CC1 ZINC001448786592 1093865923 /nfs/dbraw/zinc/86/59/23/1093865923.db2.gz PHBOCBLIWDKZNO-UHFFFAOYSA-N 2 0 341.499 2.418 10 0 EEAERP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)o1 ZINC001440610678 1093876306 /nfs/dbraw/zinc/87/63/06/1093876306.db2.gz RAPVYQGLKWUEHV-UHFFFAOYSA-N 2 0 348.491 2.050 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2cccnc2C)CC[N@@H+]1C ZINC001440656765 1093929030 /nfs/dbraw/zinc/92/90/30/1093929030.db2.gz AFSYIOPMFZRUOC-JCGIZDLHSA-N 2 0 332.492 2.105 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cn2)[C@@H]1C ZINC001449024787 1094031698 /nfs/dbraw/zinc/03/16/98/1094031698.db2.gz FXSYQYUILSUUSN-RHSMWYFYSA-N 2 0 336.455 2.030 10 0 EEAERP CC(C)[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001449026874 1094034499 /nfs/dbraw/zinc/03/44/99/1094034499.db2.gz IIIULBLUDQXTDW-RBUKOAKNSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440824259 1094077729 /nfs/dbraw/zinc/07/77/29/1094077729.db2.gz BBMKSYUCNQVBQN-HZPDHXFCSA-N 2 0 334.508 2.351 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1N(C)C ZINC001440998568 1094269832 /nfs/dbraw/zinc/26/98/32/1094269832.db2.gz IUBGFZJLCHXRDH-IRXDYDNUSA-N 2 0 346.519 2.031 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449325094 1094277726 /nfs/dbraw/zinc/27/77/26/1094277726.db2.gz IZMQIAVLPFTBDA-SJLPKXTDSA-N 2 0 346.519 2.352 10 0 EEAERP CCc1nocc1C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001449329429 1094281687 /nfs/dbraw/zinc/28/16/87/1094281687.db2.gz UUAYOKODKRECPU-INIZCTEOSA-N 2 0 338.496 2.198 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001449331613 1094283612 /nfs/dbraw/zinc/28/36/12/1094283612.db2.gz XLZOICPIPAFEJW-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCF)CC1)[NH+]1CCCC1 ZINC001449365565 1094331459 /nfs/dbraw/zinc/33/14/59/1094331459.db2.gz KDNSBXJDHRZWDG-DOTOQJQBSA-N 2 0 327.488 2.293 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC3CC3)C[C@H]2C1)C1CCC1 ZINC001441335335 1094806909 /nfs/dbraw/zinc/80/69/09/1094806909.db2.gz GOBZDRUAMGFHFO-KZNAEPCWSA-N 2 0 333.520 2.488 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCCF)C[C@H]2C1 ZINC001441345052 1094853593 /nfs/dbraw/zinc/85/35/93/1094853593.db2.gz ZDTKVGSIBHTJQL-BRWVUGGUSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(F)(F)F ZINC001441467013 1095126568 /nfs/dbraw/zinc/12/65/68/1095126568.db2.gz DMRWRVPFOUTQEB-AGUYFDCRSA-N 2 0 335.414 2.391 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](Cc3cccnc3)CC[C@H]21 ZINC001441482622 1095155242 /nfs/dbraw/zinc/15/52/42/1095155242.db2.gz TXFOMNSFXUEUSA-RTBURBONSA-N 2 0 344.503 2.236 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001441585878 1095403917 /nfs/dbraw/zinc/40/39/17/1095403917.db2.gz LRQVNNMTYBFRDJ-GOEBONIOSA-N 2 0 336.480 2.182 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441606883 1095462419 /nfs/dbraw/zinc/46/24/19/1095462419.db2.gz YBOIYQAPONWPFJ-SJORKVTESA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1Cl ZINC001441658221 1095623833 /nfs/dbraw/zinc/62/38/33/1095623833.db2.gz NJNKSAFYRONVSX-HOCLYGCPSA-N 2 0 337.895 2.271 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC001441851479 1095938072 /nfs/dbraw/zinc/93/80/72/1095938072.db2.gz CNZFOQSUUPAKAX-QAPCUYQASA-N 2 0 349.523 2.241 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](C[C@H]1CCC(F)(F)C1)CC2 ZINC001441862915 1095966700 /nfs/dbraw/zinc/96/67/00/1095966700.db2.gz HHTCQYWGLNEMRS-ZOBUZTSGSA-N 2 0 343.462 2.487 10 0 EEAERP C[C@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001442203099 1096487124 /nfs/dbraw/zinc/48/71/24/1096487124.db2.gz VGQJFYHKYQLNKO-JKSUJKDBSA-N 2 0 325.472 2.286 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001442204888 1096489367 /nfs/dbraw/zinc/48/93/67/1096489367.db2.gz NKJMUOXPTPSTIY-LSDHHAIUSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCC[C@H]2CCOC2)C1 ZINC001442216789 1096510285 /nfs/dbraw/zinc/51/02/85/1096510285.db2.gz LLBSFEISEMJWAM-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001442228564 1096526599 /nfs/dbraw/zinc/52/65/99/1096526599.db2.gz XRRAHDUMBKXMTM-KGLIPLIRSA-N 2 0 337.430 2.352 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001442409727 1096731763 /nfs/dbraw/zinc/73/17/63/1096731763.db2.gz IFWFWAVXXUQBOW-IIDMSEBBSA-N 2 0 333.476 2.144 10 0 EEAERP C[C@H](c1ccc(F)cc1F)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442570181 1096934632 /nfs/dbraw/zinc/93/46/32/1096934632.db2.gz AKQZCOROPHWVAT-ZIAGYGMSSA-N 2 0 339.430 2.416 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)Cc1cc(F)cc(F)c1 ZINC001442602009 1096972472 /nfs/dbraw/zinc/97/24/72/1096972472.db2.gz JKSDWSKIFWKVKM-ZIAGYGMSSA-N 2 0 339.430 2.386 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC001442620401 1096989501 /nfs/dbraw/zinc/98/95/01/1096989501.db2.gz NGPZWAUHTQZYDT-ZDUSSCGKSA-N 2 0 327.419 2.414 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001442900159 1097302178 /nfs/dbraw/zinc/30/21/78/1097302178.db2.gz HQXMUPSKIZAUGZ-OALUTQOASA-N 2 0 329.488 2.275 10 0 EEAERP Cc1nocc1C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001444072625 1098596209 /nfs/dbraw/zinc/59/62/09/1098596209.db2.gz OBHXYBBMZZEFRZ-QGZVFWFLSA-N 2 0 348.491 2.376 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001479670230 1098716873 /nfs/dbraw/zinc/71/68/73/1098716873.db2.gz UAHYEIHQIAYQEX-WIJVFFIESA-N 2 0 333.520 2.465 10 0 EEAERP CC(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001479743317 1098869073 /nfs/dbraw/zinc/86/90/73/1098869073.db2.gz VCQHQZTUDXQPSQ-UHFFFAOYSA-N 2 0 338.521 2.114 10 0 EEAERP CCn1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001444384306 1098971180 /nfs/dbraw/zinc/97/11/80/1098971180.db2.gz WNOVGRMTSBJPCR-IAGOWNOFSA-N 2 0 349.523 2.009 10 0 EEAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@@H]1CCC(F)(F)C1 ZINC001479793004 1099000882 /nfs/dbraw/zinc/00/08/82/1099000882.db2.gz DCCIDPFNPKAAMK-CQSZACIVSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCc1ccccc1 ZINC001479859357 1099164989 /nfs/dbraw/zinc/16/49/89/1099164989.db2.gz DEAIJDUCRTVITM-UHFFFAOYSA-N 2 0 329.488 2.153 10 0 EEAERP Cc1noc(C)c1C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001479868831 1099210601 /nfs/dbraw/zinc/21/06/01/1099210601.db2.gz MQZLJCRPIBZEKD-RHSMWYFYSA-N 2 0 348.491 2.102 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c1 ZINC001480009205 1099480583 /nfs/dbraw/zinc/48/05/83/1099480583.db2.gz WKMZQAFQJFBWSM-OALUTQOASA-N 2 0 329.488 2.382 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)n1 ZINC001444675336 1099516460 /nfs/dbraw/zinc/51/64/60/1099516460.db2.gz XHTCLCLSJSRKHG-INIZCTEOSA-N 2 0 346.519 2.483 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)n1 ZINC001444675339 1099518886 /nfs/dbraw/zinc/51/88/86/1099518886.db2.gz XHTCLCLSJSRKHG-MRXNPFEDSA-N 2 0 346.519 2.483 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001480055647 1099571323 /nfs/dbraw/zinc/57/13/23/1099571323.db2.gz PXKIMLWDRJJESW-LJQANCHMSA-N 2 0 349.519 2.082 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001480060591 1099584534 /nfs/dbraw/zinc/58/45/34/1099584534.db2.gz SOIBZFIXIUZGLG-LPHOPBHVSA-N 2 0 344.503 2.025 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444721077 1099591321 /nfs/dbraw/zinc/59/13/21/1099591321.db2.gz ZBEAILPSBRKVRC-UONOGXRCSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001480189528 1099787514 /nfs/dbraw/zinc/78/75/14/1099787514.db2.gz OJOVOQRQUODXTJ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001480293380 1100006160 /nfs/dbraw/zinc/00/61/60/1100006160.db2.gz OAIMDYFGCUNHJX-SJORKVTESA-N 2 0 327.488 2.296 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001480367070 1100142698 /nfs/dbraw/zinc/14/26/98/1100142698.db2.gz GPUREYFHWHXISA-SFHVURJKSA-N 2 0 345.487 2.132 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001480481273 1100290474 /nfs/dbraw/zinc/29/04/74/1100290474.db2.gz WYDGJRGGGYBHAY-NVXWUHKLSA-N 2 0 333.476 2.164 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)nc1C ZINC001445083616 1100297288 /nfs/dbraw/zinc/29/72/88/1100297288.db2.gz KDNPDNQELNOEQH-LJQANCHMSA-N 2 0 346.519 2.463 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)cc2)C1 ZINC001480521918 1100351523 /nfs/dbraw/zinc/35/15/23/1100351523.db2.gz LYEWXFFKDWLMNM-WMZOPIPTSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001480564327 1100407668 /nfs/dbraw/zinc/40/76/68/1100407668.db2.gz UCHJXYGXJIMQEX-QGZVFWFLSA-N 2 0 347.503 2.009 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001496252285 1100820826 /nfs/dbraw/zinc/82/08/26/1100820826.db2.gz XSKURKOCCJKYFV-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496261912 1100833978 /nfs/dbraw/zinc/83/39/78/1100833978.db2.gz OUKDDMFZAJEWHN-WBVHZDCISA-N 2 0 336.480 2.006 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496287362 1100869719 /nfs/dbraw/zinc/86/97/19/1100869719.db2.gz HCZWELRCQUXVFT-HOCLYGCPSA-N 2 0 345.478 2.494 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)sc1C ZINC001446450391 1100870952 /nfs/dbraw/zinc/87/09/52/1100870952.db2.gz WDKRYXQJOJOXQU-IUODEOHRSA-N 2 0 338.521 2.181 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001496302716 1100891508 /nfs/dbraw/zinc/89/15/08/1100891508.db2.gz WYJFUNJFERKPMZ-HNNXBMFYSA-N 2 0 343.462 2.248 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001446496257 1100940544 /nfs/dbraw/zinc/94/05/44/1100940544.db2.gz QLMDXVATRBVBSJ-MRXNPFEDSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001446522894 1100977356 /nfs/dbraw/zinc/97/73/56/1100977356.db2.gz AWGLWGQBYROUIV-QUCCMNQESA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)on1 ZINC001496414112 1101005889 /nfs/dbraw/zinc/00/58/89/1101005889.db2.gz KMRNUFVDUWCGFW-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP COCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001495327159 1101034217 /nfs/dbraw/zinc/03/42/17/1101034217.db2.gz SVUWRHDIXHOBOG-PKOBYXMFSA-N 2 0 339.524 2.019 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001495471775 1101182735 /nfs/dbraw/zinc/18/27/35/1101182735.db2.gz DKCYAUNCKXBTOX-QBPKDAKJSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001496054218 1101986811 /nfs/dbraw/zinc/98/68/11/1101986811.db2.gz DRCKXJQIZVDOOD-AWEZNQCLSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496076734 1102016184 /nfs/dbraw/zinc/01/61/84/1102016184.db2.gz CCLLAQQKEDRQLU-GFCCVEGCSA-N 2 0 338.521 2.181 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497208597 1102129848 /nfs/dbraw/zinc/12/98/48/1102129848.db2.gz SBBFHVQQMCSUJD-RHSMWYFYSA-N 2 0 336.455 2.080 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497221385 1102147171 /nfs/dbraw/zinc/14/71/71/1102147171.db2.gz VVYKNBCCFGBAAG-INIZCTEOSA-N 2 0 330.476 2.003 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497256284 1102203466 /nfs/dbraw/zinc/20/34/66/1102203466.db2.gz PZHLNVJJQACLPA-DZKIICNBSA-N 2 0 348.491 2.267 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001497404043 1102436259 /nfs/dbraw/zinc/43/62/59/1102436259.db2.gz RZGKLWMQVLECQO-BFHYXJOUSA-N 2 0 340.418 2.387 10 0 EEAERP CCN(CC[NH2+]CCOc1ccccc1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497417402 1102457275 /nfs/dbraw/zinc/45/72/75/1102457275.db2.gz JJIJAAAIYFMSEF-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP CN(CCC[N@H+](C)CCc1ccccc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001447372842 1102549294 /nfs/dbraw/zinc/54/92/94/1102549294.db2.gz YNUGMIVUOMTLAJ-IBGZPJMESA-N 2 0 331.504 2.351 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)s1 ZINC001497577127 1102689609 /nfs/dbraw/zinc/68/96/09/1102689609.db2.gz AGIGWCQJIBHQJT-YIEVGGLXSA-N 2 0 336.505 2.086 10 0 EEAERP CCC(CC)C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001447489307 1102736244 /nfs/dbraw/zinc/73/62/44/1102736244.db2.gz BLJRZXPKXNDVAB-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1 ZINC001497614970 1102753838 /nfs/dbraw/zinc/75/38/38/1102753838.db2.gz LQSNSWLYJSLCJW-CWIOURORSA-N 2 0 337.414 2.211 10 0 EEAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)OC ZINC001447557006 1102858001 /nfs/dbraw/zinc/85/80/01/1102858001.db2.gz OWIWZJPPGFULPW-ULQDDVLXSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001447559059 1102861081 /nfs/dbraw/zinc/86/10/81/1102861081.db2.gz ZJMUKGKOODWMAU-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)cc1 ZINC001497762183 1103051799 /nfs/dbraw/zinc/05/17/99/1103051799.db2.gz GBLJFJSIZCOXJY-UEKDZROGSA-N 2 0 345.487 2.332 10 0 EEAERP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001447765785 1103262576 /nfs/dbraw/zinc/26/25/76/1103262576.db2.gz DTCZDYBLJWHWJP-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H](CCNC(=O)C[C@H](C)n3ccnc3)C2)o1 ZINC001494058869 1103446456 /nfs/dbraw/zinc/44/64/56/1103446456.db2.gz ZRNDXMPPBHRPLT-HOCLYGCPSA-N 2 0 345.447 2.159 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)s1 ZINC001447899345 1103549260 /nfs/dbraw/zinc/54/92/60/1103549260.db2.gz PCTHKTJVIIRAHY-KBPBESRZSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCc1ccns1 ZINC001447916401 1103589536 /nfs/dbraw/zinc/58/95/36/1103589536.db2.gz WFHXOZZUYXABSU-UONOGXRCSA-N 2 0 340.537 2.146 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCCCOC)C1 ZINC001494178098 1103652559 /nfs/dbraw/zinc/65/25/59/1103652559.db2.gz GNYSCNBZTAXKCW-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC001447942693 1103654048 /nfs/dbraw/zinc/65/40/48/1103654048.db2.gz UZJCIWOXNRTTKY-HZPDHXFCSA-N 2 0 345.487 2.306 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001448066416 1103931031 /nfs/dbraw/zinc/93/10/31/1103931031.db2.gz NPERQZIQLWSJIF-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001448130841 1104072679 /nfs/dbraw/zinc/07/26/79/1104072679.db2.gz HRIYIUCZJWGWPU-INIZCTEOSA-N 2 0 344.503 2.237 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001448147926 1104108947 /nfs/dbraw/zinc/10/89/47/1104108947.db2.gz MMDSVXRQCASWQX-HZPDHXFCSA-N 2 0 333.476 2.289 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3ccc(F)cn3)CCCCC2)C1 ZINC001448232675 1104221163 /nfs/dbraw/zinc/22/11/63/1104221163.db2.gz BRQQXUJWDQWMRH-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP Cc1ccc(CCC[NH+]2CC([C@@H](C)NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001448353485 1104448795 /nfs/dbraw/zinc/44/87/95/1104448795.db2.gz DLFWTZHRWPFJSB-GOSISDBHSA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)o2)C12CCC2 ZINC001454169500 1106803615 /nfs/dbraw/zinc/80/36/15/1106803615.db2.gz IFIFEACFMHOTNB-IRXDYDNUSA-N 2 0 331.460 2.478 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCOc2ccc(C)cc2)CC[N@@H+]1C ZINC001498044968 1106831282 /nfs/dbraw/zinc/83/12/82/1106831282.db2.gz DKDXUOYWMWSZMP-YTQUADARSA-N 2 0 347.503 2.198 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001480700042 1106910832 /nfs/dbraw/zinc/91/08/32/1106910832.db2.gz CMLXDVUBFZBOMY-HUUCEWRRSA-N 2 0 336.480 2.267 10 0 EEAERP Cc1ccncc1C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480743291 1107037847 /nfs/dbraw/zinc/03/78/47/1107037847.db2.gz YDLHXURGUIZXIC-SFHVURJKSA-N 2 0 332.492 2.153 10 0 EEAERP CCc1cnc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)[C@H]2CCC[NH+]2C)o1 ZINC001480827827 1107208542 /nfs/dbraw/zinc/20/85/42/1107208542.db2.gz XHJNZGYMRGLGAT-DOTOQJQBSA-N 2 0 348.491 2.192 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCc2c1cccc2F ZINC001493043544 1107381006 /nfs/dbraw/zinc/38/10/06/1107381006.db2.gz QMYSAKZEZHGDAV-SFHVURJKSA-N 2 0 345.462 2.347 10 0 EEAERP C[C@@H](C[N@H+](C)C[C@H]1CCc2ccccc2C1)NC(=O)C[NH+]1CCCC1 ZINC001498458566 1107570171 /nfs/dbraw/zinc/57/01/71/1107570171.db2.gz RWSJALNPTSDOHG-ROUUACIJSA-N 2 0 343.515 2.324 10 0 EEAERP O=C(NCC[N@H+](CC1CCOCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001493430901 1108144089 /nfs/dbraw/zinc/14/40/89/1108144089.db2.gz WMPGNYCVTUPDBL-RTBURBONSA-N 2 0 349.519 2.011 10 0 EEAERP O=C(NCCN(Cc1cccnc1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493430822 1108144504 /nfs/dbraw/zinc/14/45/04/1108144504.db2.gz VIIHOVMPNCBXOH-RTBURBONSA-N 2 0 342.487 2.179 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001498847440 1108216648 /nfs/dbraw/zinc/21/66/48/1108216648.db2.gz AEYTZZOIFPGJHH-LPHOPBHVSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001493641216 1108444875 /nfs/dbraw/zinc/44/48/75/1108444875.db2.gz OUMGOZZVSZTCOG-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001493720242 1108562837 /nfs/dbraw/zinc/56/28/37/1108562837.db2.gz KGVGHPCQMYJMHR-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793752 1108673957 /nfs/dbraw/zinc/67/39/57/1108673957.db2.gz LNVIOTVWWGSANI-ZWKOTPCHSA-N 2 0 329.488 2.106 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001466626470 1110439803 /nfs/dbraw/zinc/43/98/03/1110439803.db2.gz LNYOMWATNOFTMJ-QGZVFWFLSA-N 2 0 335.467 2.447 10 0 EEAERP COc1cc(NC(=O)C2([NH+](C)C)CCCC2)ccc1OCC[NH+](C)C ZINC001469107958 1110485209 /nfs/dbraw/zinc/48/52/09/1110485209.db2.gz RLULFOJNSGGFJK-UHFFFAOYSA-N 2 0 349.475 2.449 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC001470703363 1110510684 /nfs/dbraw/zinc/51/06/84/1110510684.db2.gz ZFJNPMALFVMXLA-UHFFFAOYSA-N 2 0 346.519 2.490 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001479328409 1110681553 /nfs/dbraw/zinc/68/15/53/1110681553.db2.gz NEVFFKUTVRECQG-LUKYLMHMSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001499897786 1112532755 /nfs/dbraw/zinc/53/27/55/1112532755.db2.gz ZKIFGDCLNKMJNG-YZGWKJHDSA-N 2 0 343.515 2.458 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001499939954 1112549009 /nfs/dbraw/zinc/54/90/09/1112549009.db2.gz SRYXURZKIVANFB-FAOGRTBUSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCc1cccs1 ZINC001501146166 1113214770 /nfs/dbraw/zinc/21/47/70/1113214770.db2.gz JQQYHQQBCJWCJX-JKSUJKDBSA-N 2 0 347.528 2.071 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502053171 1113571183 /nfs/dbraw/zinc/57/11/83/1113571183.db2.gz HRFGRAOZJOKBNM-KRWDZBQOSA-N 2 0 337.508 2.034 10 0 EEAERP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)ccc1C ZINC001502987942 1113867826 /nfs/dbraw/zinc/86/78/26/1113867826.db2.gz NFKCWGNPCSFVQY-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)nc1C ZINC001505453347 1113987255 /nfs/dbraw/zinc/98/72/55/1113987255.db2.gz YVOFRLQTLZIRQM-LJQANCHMSA-N 2 0 346.519 2.463 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505680808 1114128068 /nfs/dbraw/zinc/12/80/68/1114128068.db2.gz FRKDYRQYJRFTNJ-HOTGVXAUSA-N 2 0 346.519 2.077 10 0 EEAERP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N(C)Cc1ccn(C)n1 ZINC001505970429 1114309480 /nfs/dbraw/zinc/30/94/80/1114309480.db2.gz VDSNZRCXYXWYJT-MRXNPFEDSA-N 2 0 349.523 2.011 10 0 EEAERP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001506039685 1114366422 /nfs/dbraw/zinc/36/64/22/1114366422.db2.gz YUVSMEBZVNEFQW-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cc(C)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506538825 1114683768 /nfs/dbraw/zinc/68/37/68/1114683768.db2.gz AKYKCPPYULPBOX-HLLBOEOZSA-N 2 0 336.480 2.088 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)NCC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC001506827400 1114898031 /nfs/dbraw/zinc/89/80/31/1114898031.db2.gz DPFOARJIUDBKST-QBZJXAITSA-N 2 0 339.911 2.299 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@H](C)F)C2)C1 ZINC001506892341 1114954512 /nfs/dbraw/zinc/95/45/12/1114954512.db2.gz SAYCVEKMNGANIL-QAETUUGQSA-N 2 0 327.488 2.341 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C)c(C)s2)C1 ZINC001506904162 1114962460 /nfs/dbraw/zinc/96/24/60/1114962460.db2.gz TYULAODYRLYTGS-SHTZXODSSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2nccs2)CC[N@@H+]1C ZINC001506924702 1114977939 /nfs/dbraw/zinc/97/79/39/1114977939.db2.gz YHAMHZBUMDYKGB-SOUVJXGZSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncs1)NC(=O)CC1CC[NH+](C)CC1 ZINC001506943993 1114993081 /nfs/dbraw/zinc/99/30/81/1114993081.db2.gz UFYOEUHUNGXFFF-CQSZACIVSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001507118202 1115117489 /nfs/dbraw/zinc/11/74/89/1115117489.db2.gz MFCYWIAZTJMIIK-HNAYVOBHSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507127921 1115122833 /nfs/dbraw/zinc/12/28/33/1115122833.db2.gz SULUNNNOPHUWMB-HZPDHXFCSA-N 2 0 349.523 2.051 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001507161806 1115141818 /nfs/dbraw/zinc/14/18/18/1115141818.db2.gz MUHWFGKOSCCKHR-CQSZACIVSA-N 2 0 341.446 2.284 10 0 EEAERP Cc1ccccc1OCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001507380490 1115239137 /nfs/dbraw/zinc/23/91/37/1115239137.db2.gz FRWXUOCBJVDPJX-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001507416554 1115258712 /nfs/dbraw/zinc/25/87/12/1115258712.db2.gz PESXWVQOALWILU-NVXWUHKLSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001507428698 1115263704 /nfs/dbraw/zinc/26/37/04/1115263704.db2.gz UHGBLVHXPTYNHJ-IAGOWNOFSA-N 2 0 348.491 2.234 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC001508016845 1115389334 /nfs/dbraw/zinc/38/93/34/1115389334.db2.gz YRTUBGNFSNMCMD-ZIAGYGMSSA-N 2 0 333.467 2.494 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567916931 1124177583 /nfs/dbraw/zinc/17/75/83/1124177583.db2.gz BZWKMOHLAXYZJZ-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H](C(=O)N1CCC2(C[NH+](CCCOC(C)C)C2)CC1)[NH+](C)C ZINC001568252300 1124387329 /nfs/dbraw/zinc/38/73/29/1124387329.db2.gz GMFXUSNQQLKOGT-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001568387440 1124457085 /nfs/dbraw/zinc/45/70/85/1124457085.db2.gz WMFTZFGUUZOCDK-JKSUJKDBSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001568412195 1124481225 /nfs/dbraw/zinc/48/12/25/1124481225.db2.gz OQTVWRYLWABZOS-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001568674705 1124687552 /nfs/dbraw/zinc/68/75/52/1124687552.db2.gz SYLSIORHSPTRJH-AWEZNQCLSA-N 2 0 336.480 2.124 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc2nsnc21)[NH+](C)C ZINC001568698380 1124713320 /nfs/dbraw/zinc/71/33/20/1124713320.db2.gz CSUZVZZQYZVBDE-WFASDCNBSA-N 2 0 349.504 2.016 10 0 EEAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568939527 1124972412 /nfs/dbraw/zinc/97/24/12/1124972412.db2.gz NIMZACYDMSYHNJ-WMMRAIQGSA-N 2 0 333.520 2.417 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001568951217 1124984037 /nfs/dbraw/zinc/98/40/37/1124984037.db2.gz NLPJQGUUZLUXBO-GWQWAINWSA-N 2 0 331.435 2.245 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001569007034 1125037806 /nfs/dbraw/zinc/03/78/06/1125037806.db2.gz YXGWYXHGTSQCGE-OAHLLOKOSA-N 2 0 329.448 2.411 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001569036013 1125056626 /nfs/dbraw/zinc/05/66/26/1125056626.db2.gz KBGFGTJIQHBFPV-OAHLLOKOSA-N 2 0 337.895 2.463 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001569211752 1125168030 /nfs/dbraw/zinc/16/80/30/1125168030.db2.gz OMYQOCXTXARLHW-HUUCEWRRSA-N 2 0 348.397 2.430 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001569217282 1125172346 /nfs/dbraw/zinc/17/23/46/1125172346.db2.gz IFORBJPWNMXGNE-UHFFFAOYSA-N 2 0 341.415 2.191 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC001569217970 1125173237 /nfs/dbraw/zinc/17/32/37/1125173237.db2.gz DGMRERGGEYAUIN-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[NH+](C)C)cc1 ZINC000183541988 235131772 /nfs/dbraw/zinc/13/17/72/235131772.db2.gz XYHIUFVVYAUEAJ-GOSISDBHSA-N 2 0 326.444 2.489 10 0 EEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000462728171 283174687 /nfs/dbraw/zinc/17/46/87/283174687.db2.gz HTMKQMCEJVUMPD-GVDBMIGSSA-N 2 0 326.529 2.479 10 0 EEAERP COc1ccc([C@H](NC[C@@H](C)C[NH+]2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422751716 240209044 /nfs/dbraw/zinc/20/90/44/240209044.db2.gz ABCOWMJUIDEXDS-UXPWSPDFSA-N 2 0 347.503 2.046 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060433 240345426 /nfs/dbraw/zinc/34/54/26/240345426.db2.gz IGPMLEQGXVJAGS-FFGOWVMKSA-N 2 0 331.504 2.383 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447590569 242292599 /nfs/dbraw/zinc/29/25/99/242292599.db2.gz DLWSIMLETHREED-ACDBMABISA-N 3 0 331.504 2.350 10 0 EEAERP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000122192394 292271072 /nfs/dbraw/zinc/27/10/72/292271072.db2.gz CCSFHHBWRCAXBP-FHERZECASA-N 2 0 326.529 2.382 10 0 EEAERP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249854095 160386566 /nfs/dbraw/zinc/38/65/66/160386566.db2.gz CTGOLCDSPVLOEG-IRXDYDNUSA-N 2 0 348.491 2.055 10 0 EEAERP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193642017 160184806 /nfs/dbraw/zinc/18/48/06/160184806.db2.gz GPWINVHGJQWJPW-LVQVYYBASA-N 2 0 333.501 2.294 10 0 EEAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000247132655 160312264 /nfs/dbraw/zinc/31/22/64/160312264.db2.gz MFNYNXCEWJYCOS-MOPGFXCFSA-N 2 0 329.488 2.357 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000247409416 160323888 /nfs/dbraw/zinc/32/38/88/160323888.db2.gz RORHKJINSIOUKW-MAUKXSAKSA-N 2 0 336.524 2.421 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000247656914 160330516 /nfs/dbraw/zinc/33/05/16/160330516.db2.gz YQBYFAAUMLHCLE-ZWKOTPCHSA-N 2 0 330.476 2.087 10 0 EEAERP O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000343565859 161147043 /nfs/dbraw/zinc/14/70/43/161147043.db2.gz RKPCTZVMZVYXAA-FQEVSTJZSA-N 2 0 327.472 2.470 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)C1 ZINC000355349886 163155662 /nfs/dbraw/zinc/15/56/62/163155662.db2.gz BJAMNPRGXWQAMR-LSDHHAIUSA-N 2 0 332.492 2.486 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000360785191 164379967 /nfs/dbraw/zinc/37/99/67/164379967.db2.gz CZKHNIBKIKPKHA-AWEZNQCLSA-N 2 0 338.471 2.417 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376319407 167303502 /nfs/dbraw/zinc/30/35/02/167303502.db2.gz DLTUHNDMUHYJCQ-JKSUJKDBSA-N 2 0 333.480 2.307 10 0 EEAERP COC1(C[C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CCC1 ZINC000277268186 269146170 /nfs/dbraw/zinc/14/61/70/269146170.db2.gz RKAQJZAUJJFNIJ-INIZCTEOSA-N 2 0 332.492 2.271 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194245862 274069478 /nfs/dbraw/zinc/06/94/78/274069478.db2.gz TUIUKXBWSYWNQZ-UHFFFAOYSA-N 2 0 345.487 2.231 10 0 EEAERP C[C@H]1CCC[N@H+](CCCC[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000278571957 274375306 /nfs/dbraw/zinc/37/53/06/274375306.db2.gz CZEPFQOSLBSBOO-INIZCTEOSA-N 2 0 343.471 2.384 10 0 EEAERP C[NH+](C)CCOc1ccc(CCNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291571974 275318723 /nfs/dbraw/zinc/31/87/23/275318723.db2.gz SZUHRHJEKVHCEK-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422795995 279138916 /nfs/dbraw/zinc/13/89/16/279138916.db2.gz XGKYFUNBEUJBKN-VQTJNVASSA-N 2 0 331.504 2.385 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000245431244 279325733 /nfs/dbraw/zinc/32/57/33/279325733.db2.gz MQQSNNFFGRBWJH-LSDHHAIUSA-N 2 0 338.521 2.477 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1F ZINC000339655957 279329412 /nfs/dbraw/zinc/32/94/12/279329412.db2.gz XZOSDTKTSJASCI-ZDUSSCGKSA-N 2 0 327.469 2.375 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246133296 288477433 /nfs/dbraw/zinc/47/74/33/288477433.db2.gz JANZPXLQEUHDRE-KZNAEPCWSA-N 2 0 334.508 2.010 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000281811811 292790437 /nfs/dbraw/zinc/79/04/37/292790437.db2.gz YZQXHCVYCPPWEF-RDTXWAMCSA-N 2 0 335.467 2.437 10 0 EEAERP CCn1ccnc1CNC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000296559801 294007090 /nfs/dbraw/zinc/00/70/90/294007090.db2.gz GEFQHWDHAZXEPD-OAHLLOKOSA-N 2 0 329.448 2.223 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000397595068 312446784 /nfs/dbraw/zinc/44/67/84/312446784.db2.gz LJBGISCUUJKXMD-INIZCTEOSA-N 2 0 328.460 2.098 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000416819427 313324600 /nfs/dbraw/zinc/32/46/00/313324600.db2.gz SHHPRDFSTSNVPT-BZUAXINKSA-N 2 0 334.464 2.104 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417221729 313454709 /nfs/dbraw/zinc/45/47/09/313454709.db2.gz OMOJAXVTJDXIEA-LUKYLMHMSA-N 2 0 336.524 2.279 10 0 EEAERP [NH3+][C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418447651 313816651 /nfs/dbraw/zinc/81/66/51/313816651.db2.gz ITMUFLLMMPJJMY-ROUUACIJSA-N 2 0 330.476 2.346 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440335396 315124430 /nfs/dbraw/zinc/12/44/30/315124430.db2.gz FHVWUQQTDPRJMQ-HNNXBMFYSA-N 2 0 345.516 2.321 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000527879516 317279964 /nfs/dbraw/zinc/27/99/64/317279964.db2.gz IQXPGMDBFFOQHX-GOSISDBHSA-N 2 0 334.508 2.177 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000561125628 318825448 /nfs/dbraw/zinc/82/54/48/318825448.db2.gz MYXZFZYIZBAGBJ-NXHRZFHOSA-N 2 0 330.476 2.121 10 0 EEAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000574450435 320026361 /nfs/dbraw/zinc/02/63/61/320026361.db2.gz OLIBWFSPGKODAH-TXPKVOOTSA-N 2 0 332.492 2.466 10 0 EEAERP CCN(CC)C(=O)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000576949635 320219470 /nfs/dbraw/zinc/21/94/70/320219470.db2.gz QQFXQOUZOCVVDS-UHFFFAOYSA-N 2 0 329.488 2.413 10 0 EEAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000580312130 324036518 /nfs/dbraw/zinc/03/65/18/324036518.db2.gz OTYVFIFZJQQWDP-IPMKNSEASA-N 2 0 340.471 2.427 10 0 EEAERP CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582482599 324462195 /nfs/dbraw/zinc/46/21/95/324462195.db2.gz LBUDOKJFYJOYMN-DYXWJJEUSA-N 2 0 345.531 2.144 10 0 EEAERP C[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000127748858 462579109 /nfs/dbraw/zinc/57/91/09/462579109.db2.gz DOEGYRREQSLRHV-GPMSIDNRSA-N 2 0 329.488 2.374 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCN2CCCC2)CC1 ZINC000088669941 462640907 /nfs/dbraw/zinc/64/09/07/462640907.db2.gz WSDBEYUAAXYMPQ-UHFFFAOYSA-N 2 0 330.520 2.404 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC(=O)NC(C)C)CC1 ZINC000088678822 462641589 /nfs/dbraw/zinc/64/15/89/462641589.db2.gz XBBFKZADDODRBI-UHFFFAOYSA-N 2 0 346.519 2.223 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579211084 468325484 /nfs/dbraw/zinc/32/54/84/468325484.db2.gz JRGALALPFABCFG-ZMMAXQRCSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174878 463092294 /nfs/dbraw/zinc/09/22/94/463092294.db2.gz KSLCFFWIKDXHEO-SJLPKXTDSA-N 2 0 332.492 2.320 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000072015944 463479487 /nfs/dbraw/zinc/47/94/87/463479487.db2.gz QAHYQZJTMJCLFU-CABCVRRESA-N 2 0 336.505 2.278 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000170855482 463724047 /nfs/dbraw/zinc/72/40/47/463724047.db2.gz CTBRNDLJNRKLTH-FUHWJXTLSA-N 2 0 333.451 2.200 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261727286 463841586 /nfs/dbraw/zinc/84/15/86/463841586.db2.gz GRXMTJRMRJOTOA-ZFWWWQNUSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@]1(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261897205 463892625 /nfs/dbraw/zinc/89/26/25/463892625.db2.gz VFERKVBWNIQGOC-FQEVSTJZSA-N 2 0 327.472 2.287 10 0 EEAERP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261929043 463902932 /nfs/dbraw/zinc/90/29/32/463902932.db2.gz CNDGJEMSVMAXFF-NVXWUHKLSA-N 3 0 334.533 2.429 10 0 EEAERP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261959031 463910526 /nfs/dbraw/zinc/91/05/26/463910526.db2.gz PFYSGJHOMAUNQJ-XUVXKRRUSA-N 2 0 340.471 2.178 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171774901 463923918 /nfs/dbraw/zinc/92/39/18/463923918.db2.gz LVJWXECSBSQCME-DLBZAZTESA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000298565904 465433960 /nfs/dbraw/zinc/43/39/60/465433960.db2.gz WNGFSGAYVGSUAM-HKUYNNGSSA-N 2 0 331.504 2.038 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246497277 464591476 /nfs/dbraw/zinc/59/14/76/464591476.db2.gz SGWUMFHKSJCQJX-AEFFLSMTSA-N 2 0 338.540 2.480 10 0 EEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cccc(C(N)=O)c2)C1 ZINC000190475351 464653721 /nfs/dbraw/zinc/65/37/21/464653721.db2.gz WTXFIYUJLSRZSE-GOSISDBHSA-N 2 0 338.455 2.134 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000247980008 464719278 /nfs/dbraw/zinc/71/92/78/464719278.db2.gz HHGKGKGWWNOGTN-XGXHKWSGSA-N 2 0 344.503 2.413 10 0 EEAERP O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCc2nccn21 ZINC000351727812 465321511 /nfs/dbraw/zinc/32/15/11/465321511.db2.gz RIAVEBGAFUYFGB-QGZVFWFLSA-N 2 0 335.411 2.322 10 0 EEAERP C[C@H](CCNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCCCC1 ZINC000298238586 465341003 /nfs/dbraw/zinc/34/10/03/465341003.db2.gz IXIHBWFYDHTICX-OAHLLOKOSA-N 2 0 329.448 2.398 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000348212908 465493166 /nfs/dbraw/zinc/49/31/66/465493166.db2.gz ZNESRNUTNNTITA-KZNAEPCWSA-N 2 0 336.524 2.377 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000360988213 465686327 /nfs/dbraw/zinc/68/63/27/465686327.db2.gz XNTQHPJVKSMLRE-YTQUADARSA-N 2 0 329.488 2.498 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)[C@@H]2CCC[C@H]21 ZINC000353441165 465884965 /nfs/dbraw/zinc/88/49/65/465884965.db2.gz AIUTWKOIGDDURU-YESZJQIVSA-N 2 0 331.460 2.347 10 0 EEAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2conc2C)CC1 ZINC000353495706 465930209 /nfs/dbraw/zinc/93/02/09/465930209.db2.gz ITEVOTNAVZIMPM-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)CC2)ncn1 ZINC000353518534 465947031 /nfs/dbraw/zinc/94/70/31/465947031.db2.gz LLLQLYUSRQBGRD-GUDVDZBRSA-N 2 0 343.519 2.470 10 0 EEAERP CCOCCO[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346216827 465999598 /nfs/dbraw/zinc/99/95/98/465999598.db2.gz LGTVLUUXHGPCLL-SFHVURJKSA-N 2 0 330.432 2.203 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000353710806 466087617 /nfs/dbraw/zinc/08/76/17/466087617.db2.gz UBEQQEONETVNRD-AZUAARDMSA-N 2 0 342.531 2.402 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)[C@@H]2CCC[C@@H]21 ZINC000367710210 466509875 /nfs/dbraw/zinc/50/98/75/466509875.db2.gz WGEDHJSPMOTLLW-IHRRRGAJSA-N 2 0 327.270 2.108 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417042046 466762205 /nfs/dbraw/zinc/76/22/05/466762205.db2.gz WGXHBAIZGPWQNT-IPMKNSEASA-N 2 0 342.487 2.217 10 0 EEAERP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252995 472043190 /nfs/dbraw/zinc/04/31/90/472043190.db2.gz FSWJQUSFRXKFDG-MOPGFXCFSA-N 2 0 346.471 2.197 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417200921 466800500 /nfs/dbraw/zinc/80/05/00/466800500.db2.gz VDXHCKZEIHVXNE-RBUKOAKNSA-N 2 0 346.519 2.366 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417525824 466877088 /nfs/dbraw/zinc/87/70/88/466877088.db2.gz BRYBEIJEQGHHPA-CALCHBBNSA-N 2 0 347.507 2.123 10 0 EEAERP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417658552 466900633 /nfs/dbraw/zinc/90/06/33/466900633.db2.gz JQYIWQSUNWDYAZ-SJPCQFCGSA-N 2 0 348.466 2.312 10 0 EEAERP C[C@H]1C[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000376918267 466966820 /nfs/dbraw/zinc/96/68/20/466966820.db2.gz NOKDUPPFZWVAQT-WMZOPIPTSA-N 2 0 342.487 2.139 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[C@@H]1c1ccccc1 ZINC000417947021 466998990 /nfs/dbraw/zinc/99/89/90/466998990.db2.gz RSJOXIGEMTXSSG-HCXYKTFWSA-N 2 0 342.487 2.073 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000417951508 466999846 /nfs/dbraw/zinc/99/98/46/466999846.db2.gz WZPZVBHLSSCPCJ-MSOLQXFVSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418001131 467018192 /nfs/dbraw/zinc/01/81/92/467018192.db2.gz WIVXHJZKFDLRGX-RLFYNMQTSA-N 2 0 334.508 2.175 10 0 EEAERP C[NH2+][C@H]1CCCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418049701 467034300 /nfs/dbraw/zinc/03/43/00/467034300.db2.gz YKVNFELZQUJZIT-AZUAARDMSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048850 467034587 /nfs/dbraw/zinc/03/45/87/467034587.db2.gz WUVSZUXTZOXDKL-IEBWSBKVSA-N 2 0 330.476 2.078 10 0 EEAERP [NH3+][C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418443313 467111534 /nfs/dbraw/zinc/11/15/34/467111534.db2.gz FMKSTNHRCKSJNN-ZWKOTPCHSA-N 2 0 330.476 2.346 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)[C@H]2CCCOC2)CC1 ZINC000414566980 467420237 /nfs/dbraw/zinc/42/02/37/467420237.db2.gz XJRBSIPVNIWSMT-LMNJBCLMSA-N 2 0 346.515 2.459 10 0 EEAERP c1cc(CCC[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc2c1OCC2 ZINC000415059152 467478305 /nfs/dbraw/zinc/47/83/05/467478305.db2.gz UNEZUGDQLYMXKI-UHFFFAOYSA-N 2 0 343.515 2.360 10 0 EEAERP CC(C)C[C@H]([NH3+])C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000415116928 467493684 /nfs/dbraw/zinc/49/36/84/467493684.db2.gz ILCUNQGLUNMNEL-INIZCTEOSA-N 2 0 334.460 2.427 10 0 EEAERP CC[N@H+](CCNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)C1CC1 ZINC000431103661 467496208 /nfs/dbraw/zinc/49/62/08/467496208.db2.gz QOJVJAXOUWPMPL-UHFFFAOYSA-N 2 0 348.495 2.064 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000449092378 467617284 /nfs/dbraw/zinc/61/72/84/467617284.db2.gz LRJHNQZUCQGDJC-NQIIRXRSSA-N 2 0 345.531 2.128 10 0 EEAERP COCC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449145620 467620542 /nfs/dbraw/zinc/62/05/42/467620542.db2.gz YMMPJGPLVHXXIG-PXNSSMCTSA-N 2 0 334.504 2.459 10 0 EEAERP O[C@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)CC1(O)CCC1 ZINC000528508610 467692162 /nfs/dbraw/zinc/69/21/62/467692162.db2.gz XERLDWVNJSNOHW-PMACEKPBSA-N 2 0 344.499 2.250 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000457919289 467729725 /nfs/dbraw/zinc/72/97/25/467729725.db2.gz XHMVDDXGMNMRFX-IEBWSBKVSA-N 2 0 346.519 2.285 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458170216 467782225 /nfs/dbraw/zinc/78/22/25/467782225.db2.gz OSKFQFFMPCMALG-INIZCTEOSA-N 2 0 333.476 2.089 10 0 EEAERP C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225247 467964399 /nfs/dbraw/zinc/96/43/99/467964399.db2.gz UTJFLCXSZKPNJE-CQSZACIVSA-N 2 0 336.867 2.044 10 0 EEAERP c1cc(CC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc2c1OCC2 ZINC000530239109 467966766 /nfs/dbraw/zinc/96/67/66/467966766.db2.gz CRYCXMFNLLTZRB-LJQANCHMSA-N 2 0 330.472 2.255 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)c(C)c2)CC1 ZINC000516876133 468052573 /nfs/dbraw/zinc/05/25/73/468052573.db2.gz NZYWFTSKPHHEOI-MRXNPFEDSA-N 2 0 344.503 2.417 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000519590140 468178021 /nfs/dbraw/zinc/17/80/21/468178021.db2.gz ZRLBIJNBQZKAHS-NEWSRXKRSA-N 2 0 344.503 2.429 10 0 EEAERP C[C@H](CNC(=O)c1conc1C(C)(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000519786860 468211854 /nfs/dbraw/zinc/21/18/54/468211854.db2.gz YMWGSYNCIQIKIX-CYBMUJFWSA-N 2 0 330.432 2.119 10 0 EEAERP C[N@H+](CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1CCCC1 ZINC000567821996 468217157 /nfs/dbraw/zinc/21/71/57/468217157.db2.gz UBSHFQNJZSDAAD-SFHVURJKSA-N 2 0 330.476 2.129 10 0 EEAERP C[NH+](C)C[C@@](C)(O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851992 468223154 /nfs/dbraw/zinc/22/31/54/468223154.db2.gz FBHOBPYZBYOKQD-MOPGFXCFSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000594310335 468549182 /nfs/dbraw/zinc/54/91/82/468549182.db2.gz BKYWFXZZOIMIRF-BRWVUGGUSA-N 2 0 333.480 2.493 10 0 EEAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000594927491 468723959 /nfs/dbraw/zinc/72/39/59/468723959.db2.gz VSKWBEZWRJZUSZ-AYOQOUSVSA-N 2 0 346.471 2.448 10 0 EEAERP COC[C@H](CC1CCOCC1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000595053921 468749576 /nfs/dbraw/zinc/74/95/76/468749576.db2.gz ZXASZLCAFKYSDC-INIZCTEOSA-N 2 0 330.538 2.235 10 0 EEAERP C[C@@]1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000561203443 468875955 /nfs/dbraw/zinc/87/59/55/468875955.db2.gz ZLFHUXPUGHJFRY-HKUYNNGSSA-N 2 0 330.476 2.092 10 0 EEAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584468600 468879020 /nfs/dbraw/zinc/87/90/20/468879020.db2.gz ZOCDWBDPQSHBGR-FAFZWHIHSA-N 2 0 342.487 2.271 10 0 EEAERP C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000626104369 469502432 /nfs/dbraw/zinc/50/24/32/469502432.db2.gz OOWOOACFQVKCJQ-LPHOPBHVSA-N 2 0 331.460 2.188 10 0 EEAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOCCC[NH3+])c(Cl)c1 ZINC000629399124 469531965 /nfs/dbraw/zinc/53/19/65/469531965.db2.gz MAYOOJFAOMJJFU-CYBMUJFWSA-N 2 0 327.856 2.321 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513997 469570641 /nfs/dbraw/zinc/57/06/41/469570641.db2.gz NRHBWJXNHRCYFZ-VIFPVBQESA-N 2 0 327.354 2.452 10 0 EEAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623400946 469643555 /nfs/dbraw/zinc/64/35/55/469643555.db2.gz LDQYTZSGVLVYGJ-NEWSRXKRSA-N 2 0 343.519 2.403 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427764 469654405 /nfs/dbraw/zinc/65/44/05/469654405.db2.gz MBCMTEARWLHIBZ-AABGKKOBSA-N 2 0 345.531 2.332 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000626921872 469754726 /nfs/dbraw/zinc/75/47/26/469754726.db2.gz QCTHHLAWMYZFDZ-ZYSHUDEJSA-N 2 0 346.475 2.058 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979048 469775486 /nfs/dbraw/zinc/77/54/86/469775486.db2.gz OMACSAMBELZONN-JQHSSLGASA-N 2 0 330.476 2.263 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623885194 469788154 /nfs/dbraw/zinc/78/81/54/469788154.db2.gz SUWHUCXIGQPSNV-QAPCUYQASA-N 2 0 333.476 2.025 10 0 EEAERP C[C@H]1CC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000627203421 469844054 /nfs/dbraw/zinc/84/40/54/469844054.db2.gz WMJADJJPTNHUSV-DOTOQJQBSA-N 2 0 332.492 2.337 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342279 469910790 /nfs/dbraw/zinc/91/07/90/469910790.db2.gz BCFAGWRGHLQABQ-HNAYVOBHSA-N 2 0 345.487 2.431 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000630733391 469972507 /nfs/dbraw/zinc/97/25/07/469972507.db2.gz WQMXPPADTJHYCR-JKSUJKDBSA-N 2 0 339.549 2.195 10 0 EEAERP CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2ocnc2C(F)F)CC1 ZINC000624548216 469973638 /nfs/dbraw/zinc/97/36/38/469973638.db2.gz ILMFHYUPCLLLOP-UHFFFAOYSA-N 2 0 337.330 2.011 10 0 EEAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C[C@H](C)O1 ZINC000631075288 470062680 /nfs/dbraw/zinc/06/26/80/470062680.db2.gz PAQBJZUNMDQVNH-IYBDPMFKSA-N 2 0 334.508 2.278 10 0 EEAERP Cc1nc(C)c(CN[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000628198169 470074053 /nfs/dbraw/zinc/07/40/53/470074053.db2.gz JQKXYKFUHJZAAW-SFHVURJKSA-N 2 0 328.460 2.370 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000633191462 470379616 /nfs/dbraw/zinc/37/96/16/470379616.db2.gz QDIOMHGCFGXKGZ-UHFFFAOYSA-N 2 0 336.524 2.377 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000645821714 470430022 /nfs/dbraw/zinc/43/00/22/470430022.db2.gz YMVCHAUFKQVMCB-UHFFFAOYSA-N 2 0 332.492 2.264 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649288189 470530299 /nfs/dbraw/zinc/53/02/99/470530299.db2.gz ATXLEFUABATQMD-OAHLLOKOSA-N 2 0 331.460 2.378 10 0 EEAERP c1n[nH]cc1[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776620 470663168 /nfs/dbraw/zinc/66/31/68/470663168.db2.gz CQNYZCYDLIPGFL-HDICACEKSA-N 2 0 344.463 2.123 10 0 EEAERP c1ccc(C[N@H+]2CC[C@@H]3OCCN(CC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000649750310 470684562 /nfs/dbraw/zinc/68/45/62/470684562.db2.gz KIENLOGARMXYSW-SFTDATJTSA-N 2 0 343.515 2.448 10 0 EEAERP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2O1 ZINC000647801421 470986973 /nfs/dbraw/zinc/98/69/73/470986973.db2.gz VBNCSSFYLYXHGR-BFHYXJOUSA-N 2 0 340.370 2.255 10 0 EEAERP C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899122 471010616 /nfs/dbraw/zinc/01/06/16/471010616.db2.gz AEDDHPUYDOPHBQ-BFYDXBDKSA-N 2 0 335.517 2.259 10 0 EEAERP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638426261 471090242 /nfs/dbraw/zinc/09/02/42/471090242.db2.gz OROSBAZHOLIVLG-SJLPKXTDSA-N 2 0 329.488 2.403 10 0 EEAERP c1nc2ccccn2c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536243 471164316 /nfs/dbraw/zinc/16/43/16/471164316.db2.gz YVWDIRXYTZLMHA-UHFFFAOYSA-N 2 0 328.460 2.315 10 0 EEAERP CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)CCO1 ZINC000648425176 471200668 /nfs/dbraw/zinc/20/06/68/471200668.db2.gz WGWWVRZTVQDMTN-MSOLQXFVSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000658105801 471266427 /nfs/dbraw/zinc/26/64/27/471266427.db2.gz DXQSJBRBKMGYRB-IRXDYDNUSA-N 2 0 344.507 2.190 10 0 EEAERP Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)n2n1 ZINC000658109328 471266910 /nfs/dbraw/zinc/26/69/10/471266910.db2.gz WBYDRPODIOKXGZ-HOTGVXAUSA-N 2 0 346.523 2.269 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000652292023 471268428 /nfs/dbraw/zinc/26/84/28/471268428.db2.gz TVRKSJWHAMHUJP-LJQANCHMSA-N 2 0 338.455 2.174 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOCCOc2ccccc2)C1 ZINC000652361329 471279113 /nfs/dbraw/zinc/27/91/13/471279113.db2.gz DDNCDLDTEJMOOG-MISYRCLQSA-N 2 0 348.487 2.443 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660448678 471346940 /nfs/dbraw/zinc/34/69/40/471346940.db2.gz HEMXEFCPFMIPQP-MAUKXSAKSA-N 2 0 330.476 2.025 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000669267791 471437178 /nfs/dbraw/zinc/43/71/78/471437178.db2.gz UQOHSJWSRPPEAB-XGBNDESESA-N 2 0 336.867 2.291 10 0 EEAERP Cc1cc(C[NH3+])cc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000659025476 471472969 /nfs/dbraw/zinc/47/29/69/471472969.db2.gz RNKRKKMNZFXIST-QGZVFWFLSA-N 2 0 334.464 2.028 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653118288 471497647 /nfs/dbraw/zinc/49/76/47/471497647.db2.gz HROAATXENJOVBW-ZWKOTPCHSA-N 2 0 331.460 2.486 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655909663 471531570 /nfs/dbraw/zinc/53/15/70/471531570.db2.gz CJHCHZHIVZLFOY-KGLIPLIRSA-N 2 0 346.397 2.258 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659462634 471639179 /nfs/dbraw/zinc/63/91/79/471639179.db2.gz CMVXORTUEOTZAT-QZTJIDSGSA-N 2 0 332.492 2.163 10 0 EEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CC1C[NH+](C)C1)c1ccccc1 ZINC000664109961 471641431 /nfs/dbraw/zinc/64/14/31/471641431.db2.gz SWVNKADVVDJOOD-OAHLLOKOSA-N 2 0 332.492 2.319 10 0 EEAERP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659551826 471674644 /nfs/dbraw/zinc/67/46/44/471674644.db2.gz WJJNGQJCYISYTP-QZTJIDSGSA-N 2 0 344.503 2.325 10 0 EEAERP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468470 471726000 /nfs/dbraw/zinc/72/60/00/471726000.db2.gz MGNHIGYWZMWAOM-MSOLQXFVSA-N 2 0 325.460 2.267 10 0 EEAERP CCCCN(Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000667475453 471791492 /nfs/dbraw/zinc/79/14/92/471791492.db2.gz QJKXLILBLPZZHL-QGZVFWFLSA-N 2 0 348.472 2.057 10 0 EEAERP Cc1ccc2cc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)[nH]c2c1 ZINC000667561949 471823200 /nfs/dbraw/zinc/82/32/00/471823200.db2.gz MLLADRXNGRLFPE-UHFFFAOYSA-N 2 0 342.487 2.366 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000660127856 471874282 /nfs/dbraw/zinc/87/42/82/471874282.db2.gz QGLQJWJBTSKXHV-JKIHBJOUSA-N 2 0 348.579 2.207 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000665259574 471982459 /nfs/dbraw/zinc/98/24/59/471982459.db2.gz JBAJPXWFRMLLKQ-QQPMQAPZSA-N 2 0 333.451 2.152 10 0 EEAERP OC1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000668240558 472055741 /nfs/dbraw/zinc/05/57/41/472055741.db2.gz LVWPIQUUMQMYSC-MOPGFXCFSA-N 2 0 330.472 2.171 10 0 EEAERP c1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n(-c2ccccc2)n1 ZINC000662293458 472058426 /nfs/dbraw/zinc/05/84/26/472058426.db2.gz LIVKMIDIDRLWDS-QGZVFWFLSA-N 2 0 325.460 2.479 10 0 EEAERP [NH3+]C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669073 472196375 /nfs/dbraw/zinc/19/63/75/472196375.db2.gz UTMBHMLHXJKKRR-FUHWJXTLSA-N 2 0 333.451 2.391 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000662869057 472283703 /nfs/dbraw/zinc/28/37/03/472283703.db2.gz WIBBORAHHKFODS-IRXDYDNUSA-N 2 0 343.427 2.013 10 0 EEAERP C[NH+](C)CCOc1ccc(CN2CCO[C@@](C)(C(F)F)C2)cc1 ZINC000668825639 472286317 /nfs/dbraw/zinc/28/63/17/472286317.db2.gz PNFGZLYUEMECOD-QGZVFWFLSA-N 2 0 328.403 2.483 10 0 EEAERP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658141142 485570602 /nfs/dbraw/zinc/57/06/02/485570602.db2.gz RIAYTMBGOODXSJ-IEBWSBKVSA-N 2 0 340.471 2.154 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)C1 ZINC000658142059 485572287 /nfs/dbraw/zinc/57/22/87/485572287.db2.gz YLPPFVBMOGXHSH-QZTJIDSGSA-N 2 0 326.444 2.074 10 0 EEAERP C[C@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045072 485573022 /nfs/dbraw/zinc/57/30/22/485573022.db2.gz SEFLTIPXYPFOBY-GHTZIAJQSA-N 2 0 345.531 2.333 10 0 EEAERP CSc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000583094875 485579765 /nfs/dbraw/zinc/57/97/65/485579765.db2.gz XRAQKNMIPDEOKK-RHSMWYFYSA-N 2 0 335.517 2.469 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000055073589 535565341 /nfs/dbraw/zinc/56/53/41/535565341.db2.gz UCVFJDPAJHWESN-LLVKDONJSA-N 2 0 327.270 2.223 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000186814267 534082734 /nfs/dbraw/zinc/08/27/34/534082734.db2.gz KXSDYMUYUMMPEH-KYJSFNMBSA-N 2 0 333.451 2.152 10 0 EEAERP C[NH+](C)CCCOc1c(F)cc(NC(=O)C2CC[NH2+]CC2)cc1F ZINC000242273818 535839435 /nfs/dbraw/zinc/83/94/35/535839435.db2.gz YGBAXIJSRNASKU-UHFFFAOYSA-N 2 0 341.402 2.233 10 0 EEAERP C[NH+](C)CCNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728446328 576501399 /nfs/dbraw/zinc/50/13/99/576501399.db2.gz RHUIPWRJCYVGNS-INIZCTEOSA-N 2 0 326.554 2.011 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000730731863 577052783 /nfs/dbraw/zinc/05/27/83/577052783.db2.gz QBQKFKGBAMIWEQ-GASCZTMLSA-N 2 0 328.570 2.301 10 0 EEAERP CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261791425 681350896 /nfs/dbraw/zinc/35/08/96/681350896.db2.gz ONOVEGRXSHVUSR-ICSRJNTNSA-N 2 0 342.487 2.438 10 0 EEAERP Cc1cn(C(C)(C)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000895797464 684728953 /nfs/dbraw/zinc/72/89/53/684728953.db2.gz FKAJKBKJXWXNRM-MRXNPFEDSA-N 2 0 332.423 2.485 10 0 EEAERP CCc1cnc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C[NH+]2CCCC2)o1 ZINC001266244881 1176013194 /nfs/dbraw/zinc/01/31/94/1176013194.db2.gz ZCXMRVCSJUMLEK-INIZCTEOSA-N 2 0 348.491 2.194 10 0 EEAERP Cc1ncsc1C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488525 1176624417 /nfs/dbraw/zinc/62/44/17/1176624417.db2.gz KWOAOJHXJBPASL-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001266550106 1176817109 /nfs/dbraw/zinc/81/71/09/1176817109.db2.gz VMMNMOGSNOBDOF-WBVHZDCISA-N 2 0 335.517 2.213 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]C[C@H]2CCO[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001266754480 1177354232 /nfs/dbraw/zinc/35/42/32/1177354232.db2.gz ROPRRTFVVCFXIJ-HOCLYGCPSA-N 2 0 344.459 2.119 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001266804524 1177456974 /nfs/dbraw/zinc/45/69/74/1177456974.db2.gz JISHVYCTLKTJTQ-ZDUSSCGKSA-N 2 0 335.414 2.109 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001266826710 1177500617 /nfs/dbraw/zinc/50/06/17/1177500617.db2.gz WEVGMHBEGRYXEV-KRWDZBQOSA-N 2 0 348.491 2.269 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266877856 1177687234 /nfs/dbraw/zinc/68/72/34/1177687234.db2.gz MSQMWVLMVXLVJP-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC001266916249 1177794298 /nfs/dbraw/zinc/79/42/98/1177794298.db2.gz OFZUNSVUWOPZOS-DAWZGUTISA-N 2 0 339.524 2.304 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001691277959 1177811477 /nfs/dbraw/zinc/81/14/77/1177811477.db2.gz OAZITXYRSCDGPJ-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691321931 1177909803 /nfs/dbraw/zinc/90/98/03/1177909803.db2.gz PKJBMFNNYQLNTJ-QGZVFWFLSA-N 2 0 335.879 2.230 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)CCn1ccnc1 ZINC001691418001 1178029923 /nfs/dbraw/zinc/02/99/23/1178029923.db2.gz DPMJOPFUYYSXOG-UHFFFAOYSA-N 2 0 338.814 2.314 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]C/C=C/c3ccccc3)C2)CC1 ZINC001267054810 1178160910 /nfs/dbraw/zinc/16/09/10/1178160910.db2.gz CSXSMZMHJBEZGI-AIADIJKESA-N 2 0 341.499 2.480 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2ccc(F)cn2)C1 ZINC001267181765 1178443510 /nfs/dbraw/zinc/44/35/10/1178443510.db2.gz NGFOOSMPYFAUTG-YJBOKZPZSA-N 2 0 348.466 2.033 10 0 EEAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCCc2ccccc21 ZINC001480934725 1178834126 /nfs/dbraw/zinc/83/41/26/1178834126.db2.gz FGSZTDASMKASAS-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001480935020 1178844936 /nfs/dbraw/zinc/84/49/36/1178844936.db2.gz JQBPFDSYHPWMEQ-AEFFLSMTSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267372792 1178884203 /nfs/dbraw/zinc/88/42/03/1178884203.db2.gz YLIOCGRJKHGSJD-SFHVURJKSA-N 2 0 335.467 2.289 10 0 EEAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267437782 1179010902 /nfs/dbraw/zinc/01/09/02/1179010902.db2.gz XUCAOPNGMAPTJJ-OAHLLOKOSA-N 2 0 338.521 2.262 10 0 EEAERP CN(CC[NH2+]CCc1cccs1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267439337 1179012834 /nfs/dbraw/zinc/01/28/34/1179012834.db2.gz CYPUMSDKHQGANT-DOTOQJQBSA-N 2 0 335.517 2.356 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267468930 1179090852 /nfs/dbraw/zinc/09/08/52/1179090852.db2.gz FHMJTDCPDYMPJK-MRXNPFEDSA-N 2 0 337.895 2.272 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CCCC1(F)F ZINC001481016126 1179500785 /nfs/dbraw/zinc/50/07/85/1179500785.db2.gz BNTQSZICWGXIRJ-HNNXBMFYSA-N 2 0 331.451 2.346 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCOC(C)C)C1 ZINC001481052158 1179633377 /nfs/dbraw/zinc/63/33/77/1179633377.db2.gz KKQWXXKXLGCJSF-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001267776116 1180501856 /nfs/dbraw/zinc/50/18/56/1180501856.db2.gz FEZROFAIAUEEBY-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001267776825 1180506698 /nfs/dbraw/zinc/50/66/98/1180506698.db2.gz GGRHFVWKUURGDX-ZIAGYGMSSA-N 2 0 335.414 2.203 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]C/C(Cl)=C\Cl)CC2)C1 ZINC001267919153 1180763516 /nfs/dbraw/zinc/76/35/16/1180763516.db2.gz RCDGVAJVAYSWME-MFYHJKBNSA-N 2 0 348.318 2.475 10 0 EEAERP CC(C)CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267932886 1180784711 /nfs/dbraw/zinc/78/47/11/1180784711.db2.gz WAGANRDSKXVQPW-KZNAEPCWSA-N 2 0 339.524 2.018 10 0 EEAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001267965673 1180862270 /nfs/dbraw/zinc/86/22/70/1180862270.db2.gz ABVZGBQOSAYNDX-VGOKWCNXSA-N 2 0 337.508 2.034 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)no1 ZINC001268162733 1181878833 /nfs/dbraw/zinc/87/88/33/1181878833.db2.gz OEMOUZPHUYUJRO-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001268178611 1181961212 /nfs/dbraw/zinc/96/12/12/1181961212.db2.gz GCSDCDAMJLSORN-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC(F)(F)F)CCC1 ZINC001268280557 1182147223 /nfs/dbraw/zinc/14/72/23/1182147223.db2.gz SXIZIKWLMWAUCV-STQMWFEESA-N 2 0 335.414 2.298 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2)C1 ZINC001268392264 1182455946 /nfs/dbraw/zinc/45/59/46/1182455946.db2.gz KZWCSAXFPQRGGM-AEFFLSMTSA-N 2 0 332.492 2.188 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC001481753859 1182552320 /nfs/dbraw/zinc/55/23/20/1182552320.db2.gz ZKZMKZGAWGAKLB-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001268414031 1182566266 /nfs/dbraw/zinc/56/62/66/1182566266.db2.gz PWSSWYCEWABVHJ-WBMJQRKESA-N 2 0 341.883 2.370 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001481823096 1182742139 /nfs/dbraw/zinc/74/21/39/1182742139.db2.gz AISKMCLGZPOYJL-DGCLKSJQSA-N 2 0 344.912 2.265 10 0 EEAERP CCc1nocc1C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001481824445 1182745002 /nfs/dbraw/zinc/74/50/02/1182745002.db2.gz CYUDIEZTHWDIBY-MRXNPFEDSA-N 2 0 348.491 2.097 10 0 EEAERP CCc1noc(C)c1C[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001268461895 1182762950 /nfs/dbraw/zinc/76/29/50/1182762950.db2.gz YXKBTWDQVCKUEE-UHFFFAOYSA-N 2 0 348.491 2.112 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001481881333 1182865685 /nfs/dbraw/zinc/86/56/85/1182865685.db2.gz JNPLXRSLZXKLPG-IBGZPJMESA-N 2 0 331.504 2.500 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccccn1)NC(=O)CC[NH+](C)C ZINC001481962357 1183035022 /nfs/dbraw/zinc/03/50/22/1183035022.db2.gz QUVMSBJYVDGPTG-VQIMIIECSA-N 2 0 332.492 2.188 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001482017049 1183135818 /nfs/dbraw/zinc/13/58/18/1183135818.db2.gz RRHFCMQBVXRWHP-BRWVUGGUSA-N 2 0 348.491 2.374 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)s1 ZINC001268523168 1183176625 /nfs/dbraw/zinc/17/66/25/1183176625.db2.gz PNTXLRJFFFNGRL-ZRMMWKCHSA-N 2 0 327.881 2.258 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482110074 1183345018 /nfs/dbraw/zinc/34/50/18/1183345018.db2.gz MNHCIMUHPMDPDD-MAUKXSAKSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCn2cncc2C1)C[NH2+]CCc1cccs1 ZINC001482117623 1183351180 /nfs/dbraw/zinc/35/11/80/1183351180.db2.gz XCEXRCYLIDKJNO-GJZGRUSLSA-N 2 0 346.500 2.092 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001268587290 1183384675 /nfs/dbraw/zinc/38/46/75/1183384675.db2.gz IEIRKIBVTIZSOK-RWCKICOTSA-N 2 0 331.451 2.270 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]C/C=C/c2ccccc2)C1 ZINC001268590831 1183393911 /nfs/dbraw/zinc/39/39/11/1183393911.db2.gz JWKLPNCHIAUPII-BQFSKYADSA-N 2 0 327.472 2.304 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(F)c1 ZINC001482138371 1183452187 /nfs/dbraw/zinc/45/21/87/1183452187.db2.gz ZKLOQIUEXMWADX-ZOBUZTSGSA-N 2 0 335.467 2.398 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268711404 1183631573 /nfs/dbraw/zinc/63/15/73/1183631573.db2.gz IDRKCJDSUJELSG-IRXDYDNUSA-N 2 0 331.504 2.228 10 0 EEAERP O=C(N[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1)C12CCC[NH+]1CCC2 ZINC001269088743 1183949916 /nfs/dbraw/zinc/94/99/16/1183949916.db2.gz FZCDYGPUVSGPEG-CYBMUJFWSA-N 2 0 346.302 2.418 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCCC(C)C)C1 ZINC001269096812 1183958967 /nfs/dbraw/zinc/95/89/67/1183958967.db2.gz CCISCGRRSDPTPU-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001482235657 1184473939 /nfs/dbraw/zinc/47/39/39/1184473939.db2.gz NVILYEQHZWUGQF-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)oc1C ZINC001269709934 1184538909 /nfs/dbraw/zinc/53/89/09/1184538909.db2.gz BGAIFIARPMFXOL-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001269765829 1184603053 /nfs/dbraw/zinc/60/30/53/1184603053.db2.gz LSLWRKJHZWKIOV-DOTOQJQBSA-N 2 0 348.491 2.043 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]Cc3ccccc3F)CC2)C1 ZINC001269943027 1184732451 /nfs/dbraw/zinc/73/24/51/1184732451.db2.gz FRRUAIATZREGMJ-GOSISDBHSA-N 2 0 347.478 2.496 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001269989122 1184767683 /nfs/dbraw/zinc/76/76/83/1184767683.db2.gz MPWDLWVOYHPDSE-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)CC[N@@H+]1C ZINC001270211641 1184926263 /nfs/dbraw/zinc/92/62/63/1184926263.db2.gz XYCYKPPUFJXRSQ-IXDOHACOSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCF)[NH+]1CCCCC1 ZINC001270308721 1185007130 /nfs/dbraw/zinc/00/71/30/1185007130.db2.gz JZNLLCRQMCDXSQ-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001482322222 1185346618 /nfs/dbraw/zinc/34/66/18/1185346618.db2.gz AEKDYNRZVMJLPG-KRWDZBQOSA-N 2 0 331.504 2.316 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001270797961 1185393501 /nfs/dbraw/zinc/39/35/01/1185393501.db2.gz UIPVFRIIJUUHAF-SWLSCSKDSA-N 2 0 336.307 2.474 10 0 EEAERP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482368401 1185529154 /nfs/dbraw/zinc/52/91/54/1185529154.db2.gz PBMWKSQIIQHRFQ-AWEZNQCLSA-N 2 0 346.500 2.455 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001482444714 1185753766 /nfs/dbraw/zinc/75/37/66/1185753766.db2.gz OXAXBJUMLIQCHM-SJORKVTESA-N 2 0 348.491 2.246 10 0 EEAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001271161389 1186013319 /nfs/dbraw/zinc/01/33/19/1186013319.db2.gz CXKDQPTYZIBEMH-LEPFTWFBSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550197 1186310679 /nfs/dbraw/zinc/31/06/79/1186310679.db2.gz NKRZLFWFUPXHDP-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482495004 1186396260 /nfs/dbraw/zinc/39/62/60/1186396260.db2.gz PIKDESGHTQAPRF-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001271883674 1186578561 /nfs/dbraw/zinc/57/85/61/1186578561.db2.gz CQVJIWOHJQEGBD-ZWKOTPCHSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001482682298 1187634844 /nfs/dbraw/zinc/63/48/44/1187634844.db2.gz NHDUCUXUGVUQCL-ZBFHGGJFSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)o1 ZINC001482852357 1187772199 /nfs/dbraw/zinc/77/21/99/1187772199.db2.gz VBZWVXCYISHJOA-OAHLLOKOSA-N 2 0 348.491 2.411 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001482901263 1187812714 /nfs/dbraw/zinc/81/27/14/1187812714.db2.gz JNSUWSWIUDPHAW-DYVFJYSZSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482947540 1187877765 /nfs/dbraw/zinc/87/77/65/1187877765.db2.gz LMXLQHRONFBGSQ-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccncc1Cl)C12CCC[NH+]1CCC2 ZINC001483030354 1188050314 /nfs/dbraw/zinc/05/03/14/1188050314.db2.gz FHPDISKKRBAIFN-UPHRSURJSA-N 2 0 348.878 2.125 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001671039251 1193551268 /nfs/dbraw/zinc/55/12/68/1193551268.db2.gz LLXYLYILXIYSOX-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)CCC(C)(C)C)CC[N@@H+]1C ZINC001691595418 1188298069 /nfs/dbraw/zinc/29/80/69/1188298069.db2.gz LUVMXOTZAHLZRZ-IAGOWNOFSA-N 2 0 341.540 2.170 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]Cc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001483069125 1188415255 /nfs/dbraw/zinc/41/52/55/1188415255.db2.gz JVJYRHISLDZLOJ-DWTRPJMMSA-N 2 0 348.466 2.247 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483099026 1188475908 /nfs/dbraw/zinc/47/59/08/1188475908.db2.gz VPTFVMAXWIUHAK-FOSCPCJNSA-N 2 0 331.451 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483099035 1188475946 /nfs/dbraw/zinc/47/59/46/1188475946.db2.gz VPTFVMAXWIUHAK-XVWMLYKFSA-N 2 0 331.451 2.414 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001272838563 1193571614 /nfs/dbraw/zinc/57/16/14/1193571614.db2.gz YZQZCDCYVHPSFA-HFBAOOFYSA-N 2 0 348.397 2.476 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001409297162 1188613423 /nfs/dbraw/zinc/61/34/23/1188613423.db2.gz QMIRQPIQHYJABQ-OFLPRAFFSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483138338 1188689348 /nfs/dbraw/zinc/68/93/48/1188689348.db2.gz ZFFWROYVDIILKC-BEFAXECRSA-N 2 0 345.487 2.186 10 0 EEAERP C[C@H](C[NH2+]Cc1ccn(C2CCCC2)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483140712 1188696884 /nfs/dbraw/zinc/69/68/84/1188696884.db2.gz NIXNUGCUEVVVKV-CRAIPNDOSA-N 2 0 347.507 2.077 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001272889698 1193592816 /nfs/dbraw/zinc/59/28/16/1193592816.db2.gz OWEZTTCWEMDIHV-OAHLLOKOSA-N 2 0 333.451 2.439 10 0 EEAERP CC[C@H](C(=O)NCc1cccc2c1CC[N@H+](CCCOC)C2)[NH+](C)C ZINC001272916862 1193603263 /nfs/dbraw/zinc/60/32/63/1193603263.db2.gz JRCYBQKCUOWOSJ-LJQANCHMSA-N 2 0 347.503 2.038 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001483228579 1189542747 /nfs/dbraw/zinc/54/27/47/1189542747.db2.gz KLMQBAFZTYCEIH-FXAWDEMLSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348554 1189556573 /nfs/dbraw/zinc/55/65/73/1189556573.db2.gz DKYJGCNQJJXBHH-HZPDHXFCSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CCCF ZINC001485924740 1193641825 /nfs/dbraw/zinc/64/18/25/1193641825.db2.gz GNLSQAWPMIBSPX-NXHRZFHOSA-N 2 0 335.467 2.128 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001409483116 1189845090 /nfs/dbraw/zinc/84/50/90/1189845090.db2.gz YXPBOIIIZMIVIW-KGLIPLIRSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(F)cc1 ZINC001409609031 1190101413 /nfs/dbraw/zinc/10/14/13/1190101413.db2.gz DYOLWVXFLZGUJN-ZOBUZTSGSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001409632515 1190133142 /nfs/dbraw/zinc/13/31/42/1190133142.db2.gz ASDRIESBKCKXIR-PXNSSMCTSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001483419837 1190466123 /nfs/dbraw/zinc/46/61/23/1190466123.db2.gz DAZQWSOJGPCUOW-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)Cn1ccnc1 ZINC001483426811 1190474276 /nfs/dbraw/zinc/47/42/76/1190474276.db2.gz GSSYAKDQPNWMMA-XBMZPMPPSA-N 2 0 326.444 2.423 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483512228 1190525780 /nfs/dbraw/zinc/52/57/80/1190525780.db2.gz SKEXBAMZRQCZII-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001483574017 1190563797 /nfs/dbraw/zinc/56/37/97/1190563797.db2.gz OBDVDPKOZDRJEJ-SUMWQHHRSA-N 2 0 345.422 2.113 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001486122118 1193687845 /nfs/dbraw/zinc/68/78/45/1193687845.db2.gz PKEVQQGQCHZFMP-CRAIPNDOSA-N 2 0 344.503 2.119 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)[NH+](C)C ZINC001272623794 1190936375 /nfs/dbraw/zinc/93/63/75/1190936375.db2.gz DDKWUPYZFHQTTF-ZBFHGGJFSA-N 2 0 345.478 2.446 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccc(Cl)s2)CC1 ZINC001483791195 1191031790 /nfs/dbraw/zinc/03/17/90/1191031790.db2.gz RZUUHHGGUGNFLN-UHFFFAOYSA-N 2 0 327.881 2.236 10 0 EEAERP Cc1cc(C[NH+]2CCC3(CCN(C(=O)C[N@@H+](C)C(C)C)C3)CC2)on1 ZINC001483837832 1191088650 /nfs/dbraw/zinc/08/86/50/1191088650.db2.gz QEKXSWMZZQONGB-UHFFFAOYSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CCN1C(=O)CC[NH+](C)C ZINC001483907408 1191120100 /nfs/dbraw/zinc/12/01/00/1191120100.db2.gz BETLPDMOFIJYPK-DOTOQJQBSA-N 2 0 349.523 2.059 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001483909363 1191120692 /nfs/dbraw/zinc/12/06/92/1191120692.db2.gz RYDOISRSMMPZSG-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCCOc2ccccc2)C1 ZINC001484037290 1191168866 /nfs/dbraw/zinc/16/88/66/1191168866.db2.gz KVMQZXYRJMAIBJ-QUCCMNQESA-N 2 0 345.487 2.130 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001484467630 1191372489 /nfs/dbraw/zinc/37/24/89/1191372489.db2.gz MSJQWOPZENXWRV-DLBZAZTESA-N 2 0 325.472 2.287 10 0 EEAERP COC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001484557155 1191413531 /nfs/dbraw/zinc/41/35/31/1191413531.db2.gz GBIANRPMEGSGBQ-DLBZAZTESA-N 2 0 347.503 2.111 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[NH+](CCCCCF)CC3)CC1 ZINC001484580691 1191425701 /nfs/dbraw/zinc/42/57/01/1191425701.db2.gz PAMJXHZAYOQMTH-UHFFFAOYSA-N 2 0 339.499 2.392 10 0 EEAERP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)c1 ZINC001484700568 1191472280 /nfs/dbraw/zinc/47/22/80/1191472280.db2.gz OUCYQVJFLXIAFI-MJGOQNOKSA-N 2 0 347.503 2.213 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001484724143 1191485108 /nfs/dbraw/zinc/48/51/08/1191485108.db2.gz NSSXSXZCZAGKIT-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncc(C[NH+](C)CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC001484768937 1191522951 /nfs/dbraw/zinc/52/29/51/1191522951.db2.gz JVFCJFWOLRPLCT-GASCZTMLSA-N 2 0 336.480 2.136 10 0 EEAERP CCC1([NH2+]CCCCOC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484816890 1191538424 /nfs/dbraw/zinc/53/84/24/1191538424.db2.gz RSKUGWHXMKLNBI-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001484906592 1191570378 /nfs/dbraw/zinc/57/03/78/1191570378.db2.gz MBZWTQXXLANBLA-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1)OC ZINC001484924053 1191576884 /nfs/dbraw/zinc/57/68/84/1191576884.db2.gz IAKQODCCRDMLCT-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001484977194 1191604729 /nfs/dbraw/zinc/60/47/29/1191604729.db2.gz GBQDOYVGXSDSIO-HZPDHXFCSA-N 2 0 339.524 2.255 10 0 EEAERP CC[N@H+](CC[C@H](C)F)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001485033549 1191625915 /nfs/dbraw/zinc/62/59/15/1191625915.db2.gz LONGAGUPDSYQCT-DOTOQJQBSA-N 2 0 327.488 2.247 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001485068097 1191636161 /nfs/dbraw/zinc/63/61/61/1191636161.db2.gz AGFBEIREIDTNHG-KRWDZBQOSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485168263 1191671110 /nfs/dbraw/zinc/67/11/10/1191671110.db2.gz ZJPWOKURYFOYOJ-HOTGVXAUSA-N 2 0 330.476 2.001 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485185483 1191680770 /nfs/dbraw/zinc/68/07/70/1191680770.db2.gz FRHMVIKMWAJDEK-GJZGRUSLSA-N 2 0 330.476 2.493 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230542 1191699254 /nfs/dbraw/zinc/69/92/54/1191699254.db2.gz VRYRAHMZHLJXFZ-KBPBESRZSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2nccnc2C)CCCCC1)[NH+](C)C ZINC001485449323 1191788916 /nfs/dbraw/zinc/78/89/16/1191788916.db2.gz LMJSIRVKTHZNSD-QGZVFWFLSA-N 2 0 347.507 2.034 10 0 EEAERP C[N@H+](CCC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1)C1CCCCC1 ZINC001486239220 1193765811 /nfs/dbraw/zinc/76/58/11/1193765811.db2.gz YWBOYLGTGJCAAJ-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC001486246468 1193773053 /nfs/dbraw/zinc/77/30/53/1193773053.db2.gz LLAXJQKIWLBPDL-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)COC1CC[NH+](C)CC1 ZINC001486377409 1193885907 /nfs/dbraw/zinc/88/59/07/1193885907.db2.gz ASCRSSLYCDEVJG-UHFFFAOYSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)COC1CC[NH+](C)CC1 ZINC001273097637 1194382281 /nfs/dbraw/zinc/38/22/81/1194382281.db2.gz FCOUYVXYYKRDJB-HNNXBMFYSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122814 1194405759 /nfs/dbraw/zinc/40/57/59/1194405759.db2.gz ICTFVQBLKBJYHA-OLZOCXBDSA-N 2 0 348.318 2.151 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C)[NH+](C)C ZINC001410012403 1197119026 /nfs/dbraw/zinc/11/90/26/1197119026.db2.gz DMVOREYUMQOJSC-GJZGRUSLSA-N 2 0 345.478 2.445 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cn2)CC1 ZINC000872020541 1198027762 /nfs/dbraw/zinc/02/77/62/1198027762.db2.gz IUCUOGSDMOJFNW-SFHVURJKSA-N 2 0 344.503 2.415 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C ZINC000872145722 1198054592 /nfs/dbraw/zinc/05/45/92/1198054592.db2.gz WIXVXMHMBVKDAN-GOSISDBHSA-N 2 0 346.471 2.372 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000872254731 1198113336 /nfs/dbraw/zinc/11/33/36/1198113336.db2.gz CIEUVTHCDNLHOM-VNQPRFMTSA-N 2 0 343.452 2.268 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cnc3cnccn23)(c2ccccc2)CC1 ZINC000865773663 1198370109 /nfs/dbraw/zinc/37/01/09/1198370109.db2.gz GLRGVSQBRYRFNP-UHFFFAOYSA-N 2 0 335.455 2.483 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)c1 ZINC001410862661 1198513041 /nfs/dbraw/zinc/51/30/41/1198513041.db2.gz STVDOXLVLBNHGE-CRAIPNDOSA-N 2 0 333.476 2.114 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001410866492 1198518628 /nfs/dbraw/zinc/51/86/28/1198518628.db2.gz PPZMRTKFQYYPRB-ZIAGYGMSSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C)c1 ZINC001411214065 1198922456 /nfs/dbraw/zinc/92/24/56/1198922456.db2.gz FWGWEHPEPPGSEA-QGZVFWFLSA-N 2 0 344.503 2.106 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810711085 1199689912 /nfs/dbraw/zinc/68/99/12/1199689912.db2.gz ZRHROWFOXRSZAR-KSSFIOAISA-N 2 0 327.488 2.436 10 0 EEAERP CSC1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+](C)CC1 ZINC000810881106 1199785799 /nfs/dbraw/zinc/78/57/99/1199785799.db2.gz GAYUKBLLRUTTPW-KRWDZBQOSA-N 2 0 345.528 2.143 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000825985304 1199986736 /nfs/dbraw/zinc/98/67/36/1199986736.db2.gz GIIYZFYFNRYAND-OAHLLOKOSA-N 2 0 338.883 2.426 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1C[NH+](C)C ZINC000870016363 1200409091 /nfs/dbraw/zinc/40/90/91/1200409091.db2.gz LLOSIHSHHLFUPP-VXGBXAGGSA-N 2 0 329.391 2.029 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870019350 1200411006 /nfs/dbraw/zinc/41/10/06/1200411006.db2.gz VUEVVIFTYUFYDS-CHWSQXEVSA-N 2 0 337.430 2.163 10 0 EEAERP C/C(=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(F)c1 ZINC000870021493 1200411874 /nfs/dbraw/zinc/41/18/74/1200411874.db2.gz GVMZXPCFBCZEPN-RAQZJCPISA-N 2 0 347.478 2.427 10 0 EEAERP c1nnnn1CC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000878815165 1200694238 /nfs/dbraw/zinc/69/42/38/1200694238.db2.gz GMDZFARSHNSYSN-UHFFFAOYSA-N 2 0 340.475 2.051 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000870869370 1200922180 /nfs/dbraw/zinc/92/21/80/1200922180.db2.gz PBVHUXUOBGQOSR-ZSZQSSIHSA-N 2 0 331.435 2.034 10 0 EEAERP C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000870875142 1200925143 /nfs/dbraw/zinc/92/51/43/1200925143.db2.gz YVXSSWQZACUQSD-SHPPYHEDSA-N 2 0 327.472 2.082 10 0 EEAERP CC1(C)C[N@@H+](C2(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CCCCC2)CCO1 ZINC000870883776 1200931669 /nfs/dbraw/zinc/93/16/69/1200931669.db2.gz IJVOLTKGPOGAGH-GUXCAODWSA-N 2 0 349.519 2.044 10 0 EEAERP C=COc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000879874465 1201291007 /nfs/dbraw/zinc/29/10/07/1201291007.db2.gz HOHCYCGQXBUOOC-HZPDHXFCSA-N 2 0 346.475 2.412 10 0 EEAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000866703820 1201584587 /nfs/dbraw/zinc/58/45/87/1201584587.db2.gz KUZMBMYAOONGEV-FQEVSTJZSA-N 2 0 343.471 2.370 10 0 EEAERP CN1Cc2ccccc2[C@@H]1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000868691663 1201860395 /nfs/dbraw/zinc/86/03/95/1201860395.db2.gz LSLXYPQNINBKOX-SFHVURJKSA-N 2 0 330.476 2.347 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001274035343 1204337871 /nfs/dbraw/zinc/33/78/71/1204337871.db2.gz KZBUKTXSUQXLOJ-JTDRTSHGSA-N 2 0 333.451 2.318 10 0 EEAERP Cc1ccc(OCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001274125420 1204388980 /nfs/dbraw/zinc/38/89/80/1204388980.db2.gz PPGGZCJUYKTJAY-HMECNJMJSA-N 2 0 345.487 2.120 10 0 EEAERP COCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001274368367 1205012017 /nfs/dbraw/zinc/01/20/17/1205012017.db2.gz MDIVCZIQUUNIBA-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001276271416 1205863114 /nfs/dbraw/zinc/86/31/14/1205863114.db2.gz GOAFRARNQSVUDY-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP C[C@@H]1CC2(CC([NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)C2)CO1 ZINC000925154974 1206077442 /nfs/dbraw/zinc/07/74/42/1206077442.db2.gz JFBRGJUVQKGVJW-LMDPOFIKSA-N 2 0 335.536 2.484 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925327435 1206097634 /nfs/dbraw/zinc/09/76/34/1206097634.db2.gz QJBSKKZBCUHZTB-NZSAHSFTSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000925337746 1206099586 /nfs/dbraw/zinc/09/95/86/1206099586.db2.gz RGBPTPWRPLGJKS-AEFFLSMTSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000925337749 1206099828 /nfs/dbraw/zinc/09/98/28/1206099828.db2.gz RGBPTPWRPLGJKS-WMZOPIPTSA-N 2 0 336.524 2.377 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925551152 1206126449 /nfs/dbraw/zinc/12/64/49/1206126449.db2.gz FINXGUVLLGLRTI-DNVCBOLYSA-N 2 0 345.487 2.404 10 0 EEAERP COc1cccc(N2CC[C@H](C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)c1 ZINC000925563774 1206128612 /nfs/dbraw/zinc/12/86/12/1206128612.db2.gz FKMVLIZRQPPGEE-HUGJHKJRSA-N 2 0 327.472 2.108 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCN2c3ccccc3OCC2=O)C1 ZINC000925577012 1206131075 /nfs/dbraw/zinc/13/10/75/1206131075.db2.gz ZNHDSKWNFZIQAP-HUUCEWRRSA-N 2 0 331.460 2.298 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925665871 1206141604 /nfs/dbraw/zinc/14/16/04/1206141604.db2.gz NAVDBUPTFSKDMS-ZACQAIPSSA-N 2 0 345.487 2.162 10 0 EEAERP Brc1cnn(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925671325 1206141867 /nfs/dbraw/zinc/14/18/67/1206141867.db2.gz PFQCNSWFQDFDSR-HUUCEWRRSA-N 2 0 341.297 2.404 10 0 EEAERP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925856093 1206161854 /nfs/dbraw/zinc/16/18/54/1206161854.db2.gz PLBJBBSFKRMGGT-DZGCQCFKSA-N 2 0 348.443 2.040 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC1CCOCC1 ZINC000925878777 1206163600 /nfs/dbraw/zinc/16/36/00/1206163600.db2.gz ZMIROZLJFIQLPJ-MJGOQNOKSA-N 2 0 332.444 2.028 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926101448 1206192174 /nfs/dbraw/zinc/19/21/74/1206192174.db2.gz SDHFYKUFVXRRON-CHWSQXEVSA-N 2 0 344.381 2.144 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000926124636 1206195399 /nfs/dbraw/zinc/19/53/99/1206195399.db2.gz IANRARWDUDAACW-ACZWYYKOSA-N 2 0 332.488 2.404 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(CC[NH+]3CCCC3)C2)O1 ZINC000931704464 1207444423 /nfs/dbraw/zinc/44/44/23/1207444423.db2.gz POXHBRXPJBCBEF-TZIWHRDSSA-N 2 0 343.515 2.448 10 0 EEAERP C[N@H+](CCN1CC[NH+](CC2(O)CCCCC2)CC1)Cc1ccccc1 ZINC000303992523 1213936305 /nfs/dbraw/zinc/93/63/05/1213936305.db2.gz NBDIFKFNDGBIEJ-UHFFFAOYSA-N 2 0 345.531 2.431 10 0 EEAERP C[C@H]1C[N@H+](CCOc2ccc3c(c2)OCO3)CCN1c1cc[nH+]cc1 ZINC001413050646 1221219976 /nfs/dbraw/zinc/21/99/76/1221219976.db2.gz SWEROQMDXOUJDI-HNNXBMFYSA-N 2 0 341.411 2.400 10 0 EEAERP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC001413215929 1234795375 /nfs/dbraw/zinc/79/53/75/1234795375.db2.gz RBJFHXJANMRLDB-XBMUEBEBSA-N 2 0 336.451 2.482 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1COc2ccccc2C1 ZINC000902803741 1238569404 /nfs/dbraw/zinc/56/94/04/1238569404.db2.gz XZYBXRFKZDKOMV-QXAKKESOSA-N 2 0 343.515 2.384 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1COc2ccccc2C1 ZINC000902832700 1238651375 /nfs/dbraw/zinc/65/13/75/1238651375.db2.gz PKTMWQFHDMBYJT-FUHWJXTLSA-N 2 0 331.504 2.242 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000903493156 1240659067 /nfs/dbraw/zinc/65/90/67/1240659067.db2.gz VRVYMEYIJWGOGJ-KHYOSLBOSA-N 2 0 341.411 2.054 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1csc(-c3ccco3)n1)C2 ZINC000903493213 1240660537 /nfs/dbraw/zinc/66/05/37/1240660537.db2.gz PFZWYYQTBSLFSB-JKDFXYPNSA-N 2 0 347.440 2.115 10 0 EEAERP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884232 1242311753 /nfs/dbraw/zinc/31/17/53/1242311753.db2.gz VGVPRFFQUKSXFX-ZXFUBFMLSA-N 2 0 331.460 2.486 10 0 EEAERP O[C@H](C[C@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896954 1242376941 /nfs/dbraw/zinc/37/69/41/1242376941.db2.gz BVQYTNCFXDCPLF-FPVZDTGUSA-N 2 0 330.472 2.342 10 0 EEAERP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903923441 1242517156 /nfs/dbraw/zinc/51/71/56/1242517156.db2.gz UNJMYEFXZXXPFF-GXTWGEPZSA-N 2 0 334.439 2.344 10 0 EEAERP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903925279 1242520116 /nfs/dbraw/zinc/52/01/16/1242520116.db2.gz DGHXITYHVVCDEG-MGNMYUMUSA-N 2 0 336.501 2.277 10 0 EEAERP C(c1nc2c(s1)CCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980306 1242844743 /nfs/dbraw/zinc/84/47/43/1242844743.db2.gz OLPRGZIXHDNQFG-GASCZTMLSA-N 2 0 332.517 2.032 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCCCF)CC[C@@H]21 ZINC001490982632 1258536383 /nfs/dbraw/zinc/53/63/83/1258536383.db2.gz MMLCFQONVXHXEU-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncoc1C[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001491370775 1259012206 /nfs/dbraw/zinc/01/22/06/1259012206.db2.gz ZYOIWFMATPHQHL-UHFFFAOYSA-N 2 0 348.491 2.376 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001491455074 1259098229 /nfs/dbraw/zinc/09/82/29/1259098229.db2.gz OBMUBIIDZZJPOM-DOTOQJQBSA-N 2 0 349.523 2.105 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)C1 ZINC000850508010 1277254348 /nfs/dbraw/zinc/25/43/48/1277254348.db2.gz JNOSBJLWKBXHME-RTBURBONSA-N 2 0 330.472 2.302 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001272774381 1277941885 /nfs/dbraw/zinc/94/18/85/1277941885.db2.gz UYGFHYAWEZPPAV-XJKSGUPXSA-N 2 0 338.521 2.309 10 0 EEAERP CCO[C@H](C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001489238435 1290487307 /nfs/dbraw/zinc/48/73/07/1290487307.db2.gz LXHSULBMJJICHM-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001490215990 1291006241 /nfs/dbraw/zinc/00/62/41/1291006241.db2.gz FUKNLEBBZCPHSQ-UHFFFAOYSA-N 2 0 341.415 2.191 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CC(F)(F)C1)C1CC1 ZINC001490366250 1291245149 /nfs/dbraw/zinc/24/51/49/1291245149.db2.gz DKXIIAGMGRZGNS-HNNXBMFYSA-N 2 0 329.435 2.097 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(F)cc1F ZINC001490357067 1291297543 /nfs/dbraw/zinc/29/75/43/1291297543.db2.gz OHSVIFQMWBWIPU-HNNXBMFYSA-N 2 0 339.430 2.245 10 0 EEAERP C[C@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001490702034 1291636120 /nfs/dbraw/zinc/63/61/20/1291636120.db2.gz WMVYNVHRRUGTNQ-XJKSGUPXSA-N 2 0 344.459 2.325 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740752 1291653951 /nfs/dbraw/zinc/65/39/51/1291653951.db2.gz FWQINURWTFONHE-OALUTQOASA-N 2 0 344.503 2.186 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000852782369 1292196634 /nfs/dbraw/zinc/19/66/34/1292196634.db2.gz KBFLNOOFEBQCSE-HNNXBMFYSA-N 2 0 345.487 2.263 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000852866569 1292220493 /nfs/dbraw/zinc/22/04/93/1292220493.db2.gz XYTZREQCOWZAHX-APWZRJJASA-N 2 0 327.472 2.466 10 0 EEAERP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC000854734955 1292933080 /nfs/dbraw/zinc/93/30/80/1292933080.db2.gz GNAGFVHFFCQAPG-ZWKOTPCHSA-N 2 0 325.472 2.143 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCC(=O)O3)C2)ccn1 ZINC000856605428 1293580070 /nfs/dbraw/zinc/58/00/70/1293580070.db2.gz WXKZWDQQVPRWPN-MSOLQXFVSA-N 2 0 347.459 2.081 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281058 1294069625 /nfs/dbraw/zinc/06/96/25/1294069625.db2.gz CKWRQELYAJGUDN-CABCVRRESA-N 2 0 341.496 2.085 10 0 EEAERP Cn1cc(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000859219287 1294352369 /nfs/dbraw/zinc/35/23/69/1294352369.db2.gz UCOCBLSGKNFNPK-UHFFFAOYSA-N 2 0 339.487 2.346 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862960142 1296045392 /nfs/dbraw/zinc/04/53/92/1296045392.db2.gz GXUGUEJSVYZPLA-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP COc1cc(-c2noc(C3=CC[C@@H]([NH3+])C3)n2)ccc1OCC[NH+](C)C ZINC000863666871 1296377645 /nfs/dbraw/zinc/37/76/45/1296377645.db2.gz BKUKBUIQWYAOAG-CQSZACIVSA-N 2 0 344.415 2.190 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001490917551 1297248041 /nfs/dbraw/zinc/24/80/41/1297248041.db2.gz WCEYPYXLKOTEJE-KZNAEPCWSA-N 2 0 333.451 2.089 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)[C@@H](c2ccccc2)C1 ZINC001277046050 1301008415 /nfs/dbraw/zinc/00/84/15/1301008415.db2.gz DMZZSAKXIUVPDA-OWYHZJEWSA-N 2 0 347.478 2.176 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001277763410 1304363501 /nfs/dbraw/zinc/36/35/01/1304363501.db2.gz LMHZYXSLRKBSCT-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001277818829 1304640906 /nfs/dbraw/zinc/64/09/06/1304640906.db2.gz DANZCAIJDZYHFI-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841752058 1315608514 /nfs/dbraw/zinc/60/85/14/1315608514.db2.gz FMRVJBGLVIWQHN-MAUKXSAKSA-N 2 0 336.524 2.328 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001278573395 1317262092 /nfs/dbraw/zinc/26/20/92/1317262092.db2.gz WDOYBXGQLNRMCO-HIFRSBDPSA-N 2 0 337.430 2.353 10 0 EEAERP COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001263900507 1322550971 /nfs/dbraw/zinc/55/09/71/1322550971.db2.gz JEQBTJKYJJHOBO-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP CCc1onc(C)c1C[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265007229 1322853988 /nfs/dbraw/zinc/85/39/88/1322853988.db2.gz IUKLKXRFOYIHRI-UHFFFAOYSA-N 2 0 348.491 2.112 10 0 EEAERP CCc1cnc(CN(CC)CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001265119849 1322930338 /nfs/dbraw/zinc/93/03/38/1322930338.db2.gz SELYCYSVKIPXTM-INIZCTEOSA-N 2 0 336.480 2.050 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001265200779 1322981263 /nfs/dbraw/zinc/98/12/63/1322981263.db2.gz YBDFURIEBYVKMG-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001265200645 1322981392 /nfs/dbraw/zinc/98/13/92/1322981392.db2.gz VXNOTFWMFJVULG-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001265390856 1323119938 /nfs/dbraw/zinc/11/99/38/1323119938.db2.gz OVEIDXSZZDQAIO-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)CC1 ZINC001265555908 1323218338 /nfs/dbraw/zinc/21/83/38/1323218338.db2.gz MCRDUNRTPVAGII-KDURUIRLSA-N 2 0 347.478 2.337 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001265572290 1323225205 /nfs/dbraw/zinc/22/52/05/1323225205.db2.gz DAIGBFUHDDQOPF-UPJWGTAASA-N 2 0 336.307 2.147 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265613167 1323267247 /nfs/dbraw/zinc/26/72/47/1323267247.db2.gz JVRXDWOHOUWOEW-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001265655804 1323300291 /nfs/dbraw/zinc/30/02/91/1323300291.db2.gz PJISRTMUMLWSAK-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)CC1 ZINC001265928575 1323492536 /nfs/dbraw/zinc/49/25/36/1323492536.db2.gz IIBDDWFTYVEONA-IBGZPJMESA-N 2 0 329.488 2.152 10 0 EEAERP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265975414 1323535646 /nfs/dbraw/zinc/53/56/46/1323535646.db2.gz AANGBCFMCXZQBH-HZPDHXFCSA-N 2 0 325.472 2.049 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(CC[NH2+]CC2CCC2)cc1 ZINC001266082170 1323640082 /nfs/dbraw/zinc/64/00/82/1323640082.db2.gz XMYGALWMCWHJBB-LJQANCHMSA-N 2 0 329.488 2.329 10 0 EEAERP CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001266083946 1323641603 /nfs/dbraw/zinc/64/16/03/1323641603.db2.gz UQVLMMNWZAAMRC-LJQANCHMSA-N 2 0 329.488 2.187 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1F ZINC001266100887 1323664804 /nfs/dbraw/zinc/66/48/04/1323664804.db2.gz LWSJAKSPWJPVLP-UHFFFAOYSA-N 2 0 333.451 2.250 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280186622 1324106843 /nfs/dbraw/zinc/10/68/43/1324106843.db2.gz QHVIYDHETWPRRF-KRWDZBQOSA-N 2 0 349.523 2.052 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001276552577 1324278185 /nfs/dbraw/zinc/27/81/85/1324278185.db2.gz KZUQBQRTGBCRPP-VQTJNVASSA-N 2 0 343.515 2.370 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC001276656663 1324984603 /nfs/dbraw/zinc/98/46/03/1324984603.db2.gz QZTCGSKWJVFDKY-PXNSSMCTSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001282734756 1325775237 /nfs/dbraw/zinc/77/52/37/1325775237.db2.gz HLBAFJLFDHNALP-CYBMUJFWSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001283941744 1326330660 /nfs/dbraw/zinc/33/06/60/1326330660.db2.gz ZPDBTLNZMJGAAH-QZTJIDSGSA-N 2 0 345.487 2.049 10 0 EEAERP CCOCCC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001284292492 1326491540 /nfs/dbraw/zinc/49/15/40/1326491540.db2.gz TVQDCYKENBMVHE-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCc2ccccc2)C(C)(C)C)C1 ZINC001284653501 1326647648 /nfs/dbraw/zinc/64/76/48/1326647648.db2.gz SPQDPHLHSBGYEQ-ZWKOTPCHSA-N 2 0 331.504 2.301 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC001284738265 1326690179 /nfs/dbraw/zinc/69/01/79/1326690179.db2.gz WNJQCRQJLKFJRC-UONOGXRCSA-N 2 0 347.425 2.251 10 0 EEAERP CCOCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001284927180 1326779461 /nfs/dbraw/zinc/77/94/61/1326779461.db2.gz AKKYYLQZLBARKI-RTBURBONSA-N 2 0 349.519 2.178 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001284928773 1326780523 /nfs/dbraw/zinc/78/05/23/1326780523.db2.gz RERQAKOZECIZRO-MOPGFXCFSA-N 2 0 349.519 2.178 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1)[NH+](C)C ZINC001491765614 1330247314 /nfs/dbraw/zinc/24/73/14/1330247314.db2.gz IOAUZBKTYKUFQD-ZWKOTPCHSA-N 2 0 335.467 2.289 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C[C@@H](OC)C2CCC2)C1 ZINC001491958193 1330351992 /nfs/dbraw/zinc/35/19/92/1330351992.db2.gz ARQFXFCOJCKFJM-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001492175095 1331053312 /nfs/dbraw/zinc/05/33/12/1331053312.db2.gz BVAGWQAGTVIDCE-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001316811811 1331907621 /nfs/dbraw/zinc/90/76/21/1331907621.db2.gz UWEXOKKCTGERGD-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1nccs1 ZINC001316835323 1331923073 /nfs/dbraw/zinc/92/30/73/1331923073.db2.gz NHHKVRYXJISTKQ-GJZGRUSLSA-N 2 0 336.505 2.098 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001317005226 1332041162 /nfs/dbraw/zinc/04/11/62/1332041162.db2.gz FVRGAGQQEOYJGZ-MRXNPFEDSA-N 2 0 325.472 2.193 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ncccn1 ZINC001317163215 1332106679 /nfs/dbraw/zinc/10/66/79/1332106679.db2.gz SJHIVIPKLOAKTG-IAGOWNOFSA-N 2 0 347.507 2.098 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ncccn1 ZINC001317163216 1332106756 /nfs/dbraw/zinc/10/67/56/1332106756.db2.gz SJHIVIPKLOAKTG-IRXDYDNUSA-N 2 0 347.507 2.098 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001317191845 1332123710 /nfs/dbraw/zinc/12/37/10/1332123710.db2.gz GHYQBDNVERLAIP-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001317365682 1332197091 /nfs/dbraw/zinc/19/70/91/1332197091.db2.gz ZEJHDYWPUVLICO-MSOLQXFVSA-N 2 0 332.492 2.331 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1cccnc1 ZINC001317421824 1332225259 /nfs/dbraw/zinc/22/52/59/1332225259.db2.gz CRSJCMAOTKHPPS-RTBURBONSA-N 2 0 344.503 2.427 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@@H+](C)C2CCC2)no1 ZINC001317424277 1332227640 /nfs/dbraw/zinc/22/76/40/1332227640.db2.gz PQALDRPBVIBUKJ-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317596138 1332316395 /nfs/dbraw/zinc/31/63/95/1332316395.db2.gz HVFVEJUXZZUCNF-HNNXBMFYSA-N 2 0 339.430 2.387 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1Cl)[NH+](C)C ZINC001317597940 1332317493 /nfs/dbraw/zinc/31/74/93/1332317493.db2.gz HZMKIBIGHSGNGN-INIZCTEOSA-N 2 0 325.884 2.474 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001317647214 1332347066 /nfs/dbraw/zinc/34/70/66/1332347066.db2.gz SXIFSCZUHLWBMO-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCCCF)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001317883204 1332440776 /nfs/dbraw/zinc/44/07/76/1332440776.db2.gz XZSXKDMUVMEPAG-UHFFFAOYSA-N 2 0 339.499 2.392 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001318725653 1332582896 /nfs/dbraw/zinc/58/28/96/1332582896.db2.gz ATMIDRYAVQZCBO-MAUKXSAKSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001318958597 1332629021 /nfs/dbraw/zinc/62/90/21/1332629021.db2.gz DVKRRXNDDDTCKF-TVFCKZIOSA-N 2 0 339.524 2.039 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCCc1ccccc1 ZINC001319190031 1332662680 /nfs/dbraw/zinc/66/26/80/1332662680.db2.gz RNCKRYBYWZSJRD-XLIONFOSSA-N 2 0 343.515 2.303 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCCc1cccc(F)c1 ZINC001319237814 1332669263 /nfs/dbraw/zinc/66/92/63/1332669263.db2.gz IZWUCUHFFUXGNY-INIZCTEOSA-N 2 0 349.494 2.442 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)[C@@H]1CCc2c1cc(F)cc2F ZINC001492484745 1332699085 /nfs/dbraw/zinc/69/90/85/1332699085.db2.gz YFTRFZMYAAWZAE-QGZVFWFLSA-N 2 0 339.430 2.342 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319514147 1332714425 /nfs/dbraw/zinc/71/44/25/1332714425.db2.gz HPHRQTZVUTUMCI-QAPCUYQASA-N 2 0 335.467 2.289 10 0 EEAERP C[C@H](CC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320414100 1332877543 /nfs/dbraw/zinc/87/75/43/1332877543.db2.gz AFGRAVKRAIYCLT-QAPCUYQASA-N 2 0 333.520 2.393 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001320561414 1332910705 /nfs/dbraw/zinc/91/07/05/1332910705.db2.gz GDLPDTSXPAENQQ-LSDHHAIUSA-N 2 0 336.480 2.232 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001321184951 1333039580 /nfs/dbraw/zinc/03/95/80/1333039580.db2.gz INVQUFGCTSOHBF-ONEGZZNKSA-N 2 0 329.435 2.168 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001322512483 1333274360 /nfs/dbraw/zinc/27/43/60/1333274360.db2.gz VJOZHOCXTSUPHM-HOCLYGCPSA-N 2 0 343.462 2.202 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001322530505 1333277156 /nfs/dbraw/zinc/27/71/56/1333277156.db2.gz GTRZFSMJHKVZQZ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCOCC1 ZINC001322723065 1333314059 /nfs/dbraw/zinc/31/40/59/1333314059.db2.gz HMCLVEZGNQCKAO-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CC[NH+](CCOCC)C1 ZINC001323641873 1333506973 /nfs/dbraw/zinc/50/69/73/1333506973.db2.gz LGBBOYHXWACGQB-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722291 1333524596 /nfs/dbraw/zinc/52/45/96/1333524596.db2.gz OYBPQLKNFTVAII-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnc(Cl)c1 ZINC001324220562 1333637767 /nfs/dbraw/zinc/63/77/67/1333637767.db2.gz KJKKJYVXJGFREF-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC001325036892 1333815658 /nfs/dbraw/zinc/81/56/58/1333815658.db2.gz JAZCFXVRPVMSPU-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ncccc2C)C1 ZINC001326401079 1334085214 /nfs/dbraw/zinc/08/52/14/1334085214.db2.gz DVPMGSNNEBTDGU-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP O=C(N1CCO[C@@H](C[NH2+]CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001327006496 1334202129 /nfs/dbraw/zinc/20/21/29/1334202129.db2.gz YUKRUENDKAAUDO-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[NH+]1CCN(Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)CC1 ZINC001327781273 1334346095 /nfs/dbraw/zinc/34/60/95/1334346095.db2.gz KMLREZJHDUJPLA-UHFFFAOYSA-N 2 0 343.519 2.381 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOC2CCC2)CC1 ZINC001327995055 1334375649 /nfs/dbraw/zinc/37/56/49/1334375649.db2.gz FTONRSUDMNVTTI-KRWDZBQOSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001328509822 1334470975 /nfs/dbraw/zinc/47/09/75/1334470975.db2.gz OHTJPMGESQWNPN-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCCF)CC[N@@H+]1C ZINC001328686736 1334499487 /nfs/dbraw/zinc/49/94/87/1334499487.db2.gz ODPNNWSIZANGJI-MOIQIXESSA-N 2 0 333.451 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001328960949 1334557151 /nfs/dbraw/zinc/55/71/51/1334557151.db2.gz KLGJNQNSAPIOOG-UHFFFAOYSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCCCF)CC2(C)C)CC[N@@H+]1C ZINC001330202912 1334802451 /nfs/dbraw/zinc/80/24/51/1334802451.db2.gz KWQXADJPWMHYQB-BZUAXINKSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1)CCC(F)(F)F ZINC001433900575 1341716373 /nfs/dbraw/zinc/71/63/73/1341716373.db2.gz AJNXNTAVXBENJG-CQSZACIVSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001433993910 1341739971 /nfs/dbraw/zinc/73/99/71/1341739971.db2.gz PTSIBTLUQDPMLU-IEBWSBKVSA-N 2 0 347.478 2.401 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001668214856 1355900741 /nfs/dbraw/zinc/90/07/41/1355900741.db2.gz QNPJKUVANOSVIQ-QWHCGFSZSA-N 2 0 338.521 2.086 10 0 EEAERP COCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001500265193 1342122627 /nfs/dbraw/zinc/12/26/27/1342122627.db2.gz PTQWPIOYDVXOGK-PKOBYXMFSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC/C=C\c2ccccc2)C1 ZINC001506648287 1342302367 /nfs/dbraw/zinc/30/23/67/1342302367.db2.gz DZPAQUCUBGMKLF-GJBHZFNWSA-N 2 0 329.488 2.478 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567250157 1342719128 /nfs/dbraw/zinc/71/91/28/1342719128.db2.gz QFZJLZQUDLYWAH-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(CC[NH+]1CCCCC1)NCCC[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC001567267586 1342729234 /nfs/dbraw/zinc/72/92/34/1342729234.db2.gz ZBGBCHLFBYTWEM-SFHVURJKSA-N 2 0 348.491 2.411 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]Cc3cnoc3C)C2)CC[N@@H+]1C ZINC001569981289 1342987565 /nfs/dbraw/zinc/98/75/65/1342987565.db2.gz GNKRDABFBUVLOP-RYQLBKOJSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001569983873 1342987967 /nfs/dbraw/zinc/98/79/67/1342987967.db2.gz KXUGQAOAVSARIR-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001676375270 1357142839 /nfs/dbraw/zinc/14/28/39/1357142839.db2.gz GUGAWNVFYJPJQU-LBPRGKRZSA-N 2 0 341.415 2.189 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001676679998 1357179971 /nfs/dbraw/zinc/17/99/71/1357179971.db2.gz GWUYNYJFBAPLSQ-FUHWJXTLSA-N 2 0 339.524 2.111 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001676924854 1357242088 /nfs/dbraw/zinc/24/20/88/1357242088.db2.gz BQMBLPRFIVFAJE-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CN(CCOCC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001677496788 1357340486 /nfs/dbraw/zinc/34/04/86/1357340486.db2.gz DIMZJQXAZCLFHL-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CCCc2cccc(F)c2)CC1 ZINC001677598517 1357368246 /nfs/dbraw/zinc/36/82/46/1357368246.db2.gz GMGNXQWGULZZBY-UHFFFAOYSA-N 2 0 347.478 2.458 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001649835404 1353619752 /nfs/dbraw/zinc/61/97/52/1353619752.db2.gz CXIZIMDKKVHKGF-AWEZNQCLSA-N 2 0 332.423 2.173 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001656329798 1354223707 /nfs/dbraw/zinc/22/37/07/1354223707.db2.gz KMEBLRXEOFQPSW-YQVWRLOYSA-N 2 0 345.487 2.034 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCOC)[C@@H]2CC)C1 ZINC001656731300 1354269051 /nfs/dbraw/zinc/26/90/51/1354269051.db2.gz ZROGTLXGUSWZEX-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP Cn1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001656908155 1354298434 /nfs/dbraw/zinc/29/84/34/1354298434.db2.gz CWYVYKVORMBVPG-GOSISDBHSA-N 2 0 349.523 2.013 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001660475762 1354470583 /nfs/dbraw/zinc/47/05/83/1354470583.db2.gz QDQPJATXQUDDEC-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC001661496108 1354645978 /nfs/dbraw/zinc/64/59/78/1354645978.db2.gz MYBDICNDIWKFOQ-JOCQHMNTSA-N 2 0 333.398 2.052 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3Cl)C2)C1 ZINC001661505710 1354646954 /nfs/dbraw/zinc/64/69/54/1354646954.db2.gz DUXDLFVJZPOACF-BRWVUGGUSA-N 2 0 349.906 2.461 10 0 EEAERP CC(C)COCC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001661926122 1354724183 /nfs/dbraw/zinc/72/41/83/1354724183.db2.gz RFVWMJAUCXKYEK-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001663099296 1354914110 /nfs/dbraw/zinc/91/41/10/1354914110.db2.gz UPOPOLNUJAFKBW-HYJLXUOHSA-N 2 0 327.900 2.442 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001666302942 1355506707 /nfs/dbraw/zinc/50/67/07/1355506707.db2.gz UPSCFLBYHXXGBF-BRWVUGGUSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001666501067 1355535225 /nfs/dbraw/zinc/53/52/25/1355535225.db2.gz KJUDQVKAYVBGPX-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1c(F)cccc1F ZINC001667060017 1355642240 /nfs/dbraw/zinc/64/22/40/1355642240.db2.gz YSJOJXMJTFYHFK-CQSZACIVSA-N 2 0 341.446 2.284 10 0 EEAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001667584437 1355764558 /nfs/dbraw/zinc/76/45/58/1355764558.db2.gz AIKMOGNNFBMEID-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001668086768 1355866405 /nfs/dbraw/zinc/86/64/05/1355866405.db2.gz IZKBICGGHNBSNX-RHSMWYFYSA-N 2 0 334.464 2.066 10 0 EEAERP CCN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001668619478 1355973378 /nfs/dbraw/zinc/97/33/78/1355973378.db2.gz LWUVBSIXKAPXAO-HNNXBMFYSA-N 2 0 343.462 2.346 10 0 EEAERP CCN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668642074 1355978434 /nfs/dbraw/zinc/97/84/34/1355978434.db2.gz XZEIVAUPDVCNFH-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001669741715 1356201631 /nfs/dbraw/zinc/20/16/31/1356201631.db2.gz NPJCEZTWBJXIMO-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001670357622 1356325999 /nfs/dbraw/zinc/32/59/99/1356325999.db2.gz LITPKOIFMLJKJW-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1C)[NH+](C)C ZINC001671367987 1356332447 /nfs/dbraw/zinc/33/24/47/1356332447.db2.gz BVQDPKXDEOEUDT-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001671805035 1356418280 /nfs/dbraw/zinc/41/82/80/1356418280.db2.gz KUWLFDXNVDXRHO-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672521321 1356543492 /nfs/dbraw/zinc/54/34/92/1356543492.db2.gz CFSLSZLKDJKONW-SQNIBIBYSA-N 2 0 339.524 2.207 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccnc(Cl)c1 ZINC001674242027 1356806162 /nfs/dbraw/zinc/80/61/62/1356806162.db2.gz IIKNIVRHSRWIQZ-STQMWFEESA-N 2 0 349.866 2.321 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001674463633 1356839473 /nfs/dbraw/zinc/83/94/73/1356839473.db2.gz PVMMYXQICAEWOL-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC1(C[NH2+]CCF)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001675185488 1356943668 /nfs/dbraw/zinc/94/36/68/1356943668.db2.gz XXMXAJJYNISRJX-HOTGVXAUSA-N 2 0 325.472 2.382 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001675538425 1357002960 /nfs/dbraw/zinc/00/29/60/1357002960.db2.gz GNWMWGNTRDKURR-XGFNGEJKSA-N 2 0 333.520 2.367 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)nc1 ZINC001675946968 1357074963 /nfs/dbraw/zinc/07/49/63/1357074963.db2.gz GCXBIMRMGVKJMJ-INIZCTEOSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001690638897 1404932434 /nfs/dbraw/zinc/93/24/34/1404932434.db2.gz RFDJWEBOTVDIMY-QGZVFWFLSA-N 2 0 329.488 2.118 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001699101275 1405254743 /nfs/dbraw/zinc/25/47/43/1405254743.db2.gz VYFTZPFILUZOET-APWZRJJASA-N 2 0 329.488 2.321 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCCO1 ZINC001699553678 1405392312 /nfs/dbraw/zinc/39/23/12/1405392312.db2.gz FNXGQOOVZNPCNG-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC001167458209 759633578 /nfs/dbraw/zinc/63/35/78/759633578.db2.gz SHYZUQTXGQWBOQ-MJGOQNOKSA-N 2 0 340.508 2.279 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674225 790366979 /nfs/dbraw/zinc/36/69/79/790366979.db2.gz KTUQPCDUAYXNBK-MOPGFXCFSA-N 2 0 342.487 2.298 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000818987930 785352887 /nfs/dbraw/zinc/35/28/87/785352887.db2.gz IXBNTIPOBQRODB-OAQYLSRUSA-N 2 0 345.531 2.485 10 0 EEAERP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H](O)c2ccc(F)cn2)cc1 ZINC000819017656 785384151 /nfs/dbraw/zinc/38/41/51/785384151.db2.gz JMDPLJFJWMWITE-IBGZPJMESA-N 2 0 347.434 2.027 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000912719421 788313934 /nfs/dbraw/zinc/31/39/34/788313934.db2.gz ZGEDURKEWARDFI-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711249038 788561332 /nfs/dbraw/zinc/56/13/32/788561332.db2.gz KEECKTQAPOHNPQ-KBAYOESNSA-N 2 0 329.488 2.401 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711276710 788583874 /nfs/dbraw/zinc/58/38/74/788583874.db2.gz BQSJLOYXFUNUNF-WMZOPIPTSA-N 2 0 329.488 2.355 10 0 EEAERP Cc1ccc(C)c(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923457567 789575116 /nfs/dbraw/zinc/57/51/16/789575116.db2.gz JHGGTNPKEKFOSC-MRXNPFEDSA-N 2 0 331.460 2.072 10 0 EEAERP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cc(=O)oc2c1 ZINC000923495215 789652550 /nfs/dbraw/zinc/65/25/50/789652550.db2.gz ABOISXCDYRNYBB-JSGCOSHPSA-N 2 0 343.427 2.168 10 0 EEAERP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498126 789674864 /nfs/dbraw/zinc/67/48/64/789674864.db2.gz JMOGCFPJFWJCMC-QLFBSQMISA-N 2 0 347.459 2.092 10 0 EEAERP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OCC ZINC000923505284 789689488 /nfs/dbraw/zinc/68/94/88/789689488.db2.gz ZVPLXAAFBQTALG-LSDHHAIUSA-N 2 0 349.475 2.339 10 0 EEAERP Cn1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)n1 ZINC000712433400 794507856 /nfs/dbraw/zinc/50/78/56/794507856.db2.gz FXQMFSYBUYYILW-ZDUSSCGKSA-N 2 0 341.297 2.394 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCN1c1cc[nH+]cc1 ZINC000915281918 795817918 /nfs/dbraw/zinc/81/79/18/795817918.db2.gz AXXWSHJEGQQUSS-KRWDZBQOSA-N 2 0 330.476 2.385 10 0 EEAERP CC(C)[C@@H](C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773091 808210329 /nfs/dbraw/zinc/21/03/29/808210329.db2.gz OSAPUQSHIUSEKC-SJORKVTESA-N 2 0 326.481 2.149 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1CCOCC1 ZINC001566576482 1125757803 /nfs/dbraw/zinc/75/78/03/1125757803.db2.gz PLRKJMZSAVSDLY-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCO[C@H](C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1)C1CC1 ZINC001436700534 1088164562 /nfs/dbraw/zinc/16/45/62/1088164562.db2.gz MZYDJICHFVBHSW-GOSISDBHSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001436728352 1088195964 /nfs/dbraw/zinc/19/59/64/1088195964.db2.gz BVAPDUFHYMBVEP-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c(C)n1 ZINC001436786541 1088341319 /nfs/dbraw/zinc/34/13/19/1088341319.db2.gz JDORHSMITUENKU-ATZDWAIDSA-N 2 0 344.503 2.023 10 0 EEAERP O=C(NC[C@H]([NH2+]CC1CCCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001436790952 1088351992 /nfs/dbraw/zinc/35/19/92/1088351992.db2.gz RUULOXYMJILBHF-MOPGFXCFSA-N 2 0 333.520 2.393 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001436833001 1088453089 /nfs/dbraw/zinc/45/30/89/1088453089.db2.gz MSVDNWXIUCSBJX-ZWKOTPCHSA-N 2 0 348.491 2.096 10 0 EEAERP CC(C)OCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001437029823 1088842926 /nfs/dbraw/zinc/84/29/26/1088842926.db2.gz CBJPBRBFESRTAU-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(F)c1F ZINC001437198428 1089255600 /nfs/dbraw/zinc/25/56/00/1089255600.db2.gz KVFCOBDZCVDJJX-IHRRRGAJSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cncc(F)c1 ZINC001437210835 1089289748 /nfs/dbraw/zinc/28/97/48/1089289748.db2.gz DOFLKUFEBVEBFY-CABCVRRESA-N 2 0 336.455 2.080 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001437217989 1089299409 /nfs/dbraw/zinc/29/94/09/1089299409.db2.gz XBWKSEKDNYHNOT-HIFRSBDPSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCF)C1 ZINC001437339713 1089532374 /nfs/dbraw/zinc/53/23/74/1089532374.db2.gz WUVUTZFDCARUFE-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCc1c(F)cccc1Cl ZINC001437562311 1090035190 /nfs/dbraw/zinc/03/51/90/1090035190.db2.gz KNWSKVNJOJAYNU-UHFFFAOYSA-N 2 0 341.858 2.165 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001437716378 1090265421 /nfs/dbraw/zinc/26/54/21/1090265421.db2.gz ZNCRKRRNQYOCFZ-HIFRSBDPSA-N 2 0 349.441 2.150 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001437883032 1090458075 /nfs/dbraw/zinc/45/80/75/1090458075.db2.gz UVHLRFKQSNLZEG-FUHWJXTLSA-N 2 0 347.503 2.343 10 0 EEAERP COC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001437994148 1090593481 /nfs/dbraw/zinc/59/34/81/1090593481.db2.gz PCWUONGLSKQWPP-AEFFLSMTSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(CF)cc1 ZINC001438293742 1090775463 /nfs/dbraw/zinc/77/54/63/1090775463.db2.gz GBKWHPCNIWJUNC-FHLIZLRMSA-N 2 0 335.467 2.481 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1c(C)noc1C ZINC001438370454 1090848513 /nfs/dbraw/zinc/84/85/13/1090848513.db2.gz GTYJPPOUVUDWKN-DOTOQJQBSA-N 2 0 336.480 2.150 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001438373765 1090853216 /nfs/dbraw/zinc/85/32/16/1090853216.db2.gz UWTSFHSUPMUTBW-NEPJUHHUSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438502251 1090996453 /nfs/dbraw/zinc/99/64/53/1090996453.db2.gz IUYQTNCXTRGELX-WBVHZDCISA-N 2 0 332.492 2.106 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cnccc2C)CC[N@@H+]1C ZINC001438653716 1091140692 /nfs/dbraw/zinc/14/06/92/1091140692.db2.gz OGMZIZNMCINCKQ-BPQIPLTHSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001445402008 1091150213 /nfs/dbraw/zinc/15/02/13/1091150213.db2.gz YWYOISQLTCOJRW-OAHLLOKOSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445433061 1091190987 /nfs/dbraw/zinc/19/09/87/1091190987.db2.gz FTMGNCQAASJMHR-LSDHHAIUSA-N 2 0 328.460 2.104 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001438715201 1091236584 /nfs/dbraw/zinc/23/65/84/1091236584.db2.gz QCRRROJLYFHHRP-ZDUSSCGKSA-N 2 0 327.419 2.242 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445644181 1091433617 /nfs/dbraw/zinc/43/36/17/1091433617.db2.gz DOEVDGVOEFKVHZ-UONOGXRCSA-N 2 0 329.435 2.002 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438834829 1091456305 /nfs/dbraw/zinc/45/63/05/1091456305.db2.gz KEGXONYNCMDJCX-DOTOQJQBSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001439157413 1091801015 /nfs/dbraw/zinc/80/10/15/1091801015.db2.gz CCPNUZNIZAYPRZ-IAGOWNOFSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439224170 1091869431 /nfs/dbraw/zinc/86/94/31/1091869431.db2.gz PBIAGSDIPHILMF-RDJZCZTQSA-N 2 0 349.523 2.107 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001445951624 1091894908 /nfs/dbraw/zinc/89/49/08/1091894908.db2.gz JZTGTZWUEGQCCJ-QZTJIDSGSA-N 2 0 333.451 2.294 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cnoc2C)C2CC2)C1 ZINC001445964743 1091917213 /nfs/dbraw/zinc/91/72/13/1091917213.db2.gz GCOBGQRTMXFMNG-WMZOPIPTSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001446091934 1092117385 /nfs/dbraw/zinc/11/73/85/1092117385.db2.gz GELVRQPBMCNMIC-QAPCUYQASA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001446091936 1092117434 /nfs/dbraw/zinc/11/74/34/1092117434.db2.gz GELVRQPBMCNMIC-YJBOKZPZSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439397471 1092149724 /nfs/dbraw/zinc/14/97/24/1092149724.db2.gz HLPIFHSQKYKHHS-HIFRSBDPSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)c(C)n1 ZINC001446170479 1092226142 /nfs/dbraw/zinc/22/61/42/1092226142.db2.gz NBHXLXAKEKUSKB-SFHVURJKSA-N 2 0 344.503 2.310 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1F ZINC001439484049 1092291226 /nfs/dbraw/zinc/29/12/26/1092291226.db2.gz KWZVZFUTNCKNBD-LPHOPBHVSA-N 2 0 347.478 2.460 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC001446230692 1092341499 /nfs/dbraw/zinc/34/14/99/1092341499.db2.gz RNPQRYOWYFYVFE-CQSZACIVSA-N 2 0 333.451 2.467 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001446251816 1092377259 /nfs/dbraw/zinc/37/72/59/1092377259.db2.gz AIVNIKSPZGDZMO-MRXNPFEDSA-N 2 0 345.487 2.097 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH+](CCOC)C1 ZINC001446290342 1092446849 /nfs/dbraw/zinc/44/68/49/1092446849.db2.gz FQQJGLLMYWSOHB-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001446295530 1092459844 /nfs/dbraw/zinc/45/98/44/1092459844.db2.gz RBLMWHGABFRWJO-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001439860525 1092891584 /nfs/dbraw/zinc/89/15/84/1092891584.db2.gz RCJFHORVTJOPQW-XLIONFOSSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2ccccn2)CC1 ZINC001439914810 1092989718 /nfs/dbraw/zinc/98/97/18/1092989718.db2.gz AVRWJOSMHUUBMI-UHFFFAOYSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](C[C@H](F)CC)CC2 ZINC001440238383 1093324525 /nfs/dbraw/zinc/32/45/25/1093324525.db2.gz JXQWSTOPGIAJKV-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](F)CC)C2)C1 ZINC001448511804 1093538719 /nfs/dbraw/zinc/53/87/19/1093538719.db2.gz SIASLOVDRUFUGR-NXOAAHMSSA-N 2 0 327.488 2.341 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001440407653 1093598975 /nfs/dbraw/zinc/59/89/75/1093598975.db2.gz SXNCPYHCNSOHDN-DLBZAZTESA-N 2 0 348.491 2.089 10 0 EEAERP CN(C)c1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001440431671 1093635704 /nfs/dbraw/zinc/63/57/04/1093635704.db2.gz VSYQJMINAMUROZ-IBGZPJMESA-N 2 0 346.519 2.127 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001440443062 1093650554 /nfs/dbraw/zinc/65/05/54/1093650554.db2.gz MKIMIFBBOAAGPJ-KBAYOESNSA-N 2 0 348.491 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001440478313 1093708142 /nfs/dbraw/zinc/70/81/42/1093708142.db2.gz WUWOQYKMYUAGGQ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CCC[N@H+](C)CCc1ccccc1F)C(=O)C[NH+]1CCCC1 ZINC001440479352 1093709677 /nfs/dbraw/zinc/70/96/77/1093709677.db2.gz GXKFHDJFGJSLMF-UHFFFAOYSA-N 2 0 335.467 2.244 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cnoc2C)C1 ZINC001448713117 1093784294 /nfs/dbraw/zinc/78/42/94/1093784294.db2.gz VQWOVUZAICUVGS-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001448778762 1093858071 /nfs/dbraw/zinc/85/80/71/1093858071.db2.gz WRCGKBNWXFUFCE-SJLPKXTDSA-N 2 0 343.515 2.454 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]C/C=C\Cl)C1 ZINC001440722618 1093967025 /nfs/dbraw/zinc/96/70/25/1093967025.db2.gz RYTJIBFGWLKWFF-PCXYCSBMSA-N 2 0 333.863 2.062 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2csc(Cl)n2)C1 ZINC001440764554 1094004634 /nfs/dbraw/zinc/00/46/34/1094004634.db2.gz VHTJZIHVRSDJDU-UHFFFAOYSA-N 2 0 344.912 2.121 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001440857221 1094117181 /nfs/dbraw/zinc/11/71/81/1094117181.db2.gz KNDLACADSNIOEP-CABCVRRESA-N 2 0 333.476 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccncc1Cl)C(C)(C)C ZINC001449315860 1094269559 /nfs/dbraw/zinc/26/95/59/1094269559.db2.gz GMURIKJRBZEASH-HNNXBMFYSA-N 2 0 340.899 2.307 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449325107 1094277701 /nfs/dbraw/zinc/27/77/01/1094277701.db2.gz IZMQIAVLPFTBDA-WMZOPIPTSA-N 2 0 346.519 2.352 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)sc1C ZINC001449326596 1094278115 /nfs/dbraw/zinc/27/81/15/1094278115.db2.gz XEVCERXYIRANEK-AWEZNQCLSA-N 2 0 340.537 2.332 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001449331607 1094283789 /nfs/dbraw/zinc/28/37/89/1094283789.db2.gz XLZOICPIPAFEJW-HNNXBMFYSA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cncc(C)c1 ZINC001441032283 1094324244 /nfs/dbraw/zinc/32/42/44/1094324244.db2.gz IOKUEZCPCKMOFF-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001449369652 1094336878 /nfs/dbraw/zinc/33/68/78/1094336878.db2.gz OPRAOWULNWCKPD-GJZGRUSLSA-N 2 0 349.441 2.497 10 0 EEAERP COC[C@H](C)[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001441104056 1094410644 /nfs/dbraw/zinc/41/06/44/1094410644.db2.gz TVNQKQWHFJWSGC-INIZCTEOSA-N 2 0 341.540 2.408 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cnccc2C)C2CC2)CC[N@@H+]1C ZINC001441190718 1094550129 /nfs/dbraw/zinc/55/01/29/1094550129.db2.gz GTRLREABHQXWIU-IPMKNSEASA-N 2 0 344.503 2.105 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001441227178 1094602700 /nfs/dbraw/zinc/60/27/00/1094602700.db2.gz QIFYQBLVFOJKQB-DGCLKSJQSA-N 2 0 334.291 2.132 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)CC1(C)C ZINC001441258517 1094657958 /nfs/dbraw/zinc/65/79/58/1094657958.db2.gz RWUMLBWJMNYMHA-GOSISDBHSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001441348637 1094860404 /nfs/dbraw/zinc/86/04/04/1094860404.db2.gz BEHQYHYYOYIWIC-VQHPVUNQSA-N 2 0 348.491 2.403 10 0 EEAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001441421718 1095010342 /nfs/dbraw/zinc/01/03/42/1095010342.db2.gz WUQHRWMVPRXPKO-MPGHIAIKSA-N 2 0 327.488 2.482 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001441494145 1095172358 /nfs/dbraw/zinc/17/23/58/1095172358.db2.gz YMKVQYJSWPPCFG-IXDOHACOSA-N 2 0 339.499 2.483 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001441542883 1095264224 /nfs/dbraw/zinc/26/42/24/1095264224.db2.gz UYNGSMIEUSVTKB-IYBDPMFKSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441546052 1095270386 /nfs/dbraw/zinc/27/03/86/1095270386.db2.gz DOHQYJMPJUUHLC-SOLBZPMBSA-N 2 0 348.491 2.230 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001441548194 1095274614 /nfs/dbraw/zinc/27/46/14/1095274614.db2.gz NYPQFQDBZFWEAV-GUYCJALGSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)oc1C ZINC001441896907 1096045831 /nfs/dbraw/zinc/04/58/31/1096045831.db2.gz JCYFOEWVQWXKBG-JKSUJKDBSA-N 2 0 336.480 2.006 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C(C)(C)C2)CC1 ZINC001441919601 1096101098 /nfs/dbraw/zinc/10/10/98/1096101098.db2.gz PGRNFWDIIRPSKL-HNNXBMFYSA-N 2 0 335.517 2.417 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ncc(C)s1)C(C)(C)C)[NH+](C)C ZINC001442152364 1096405334 /nfs/dbraw/zinc/40/53/34/1096405334.db2.gz QFLLRGGZGQRDHL-ZIAGYGMSSA-N 2 0 340.537 2.412 10 0 EEAERP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001442224725 1096521869 /nfs/dbraw/zinc/52/18/69/1096521869.db2.gz LDOHWYYSMWXXGG-AWEZNQCLSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001442821828 1097210294 /nfs/dbraw/zinc/21/02/94/1097210294.db2.gz PYIIYZPHGJWAGA-FUHWJXTLSA-N 2 0 333.520 2.489 10 0 EEAERP COCc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)cc1 ZINC001442840620 1097231506 /nfs/dbraw/zinc/23/15/06/1097231506.db2.gz FOAZHVVHJNRDOP-IBGZPJMESA-N 2 0 347.503 2.254 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001442853234 1097247307 /nfs/dbraw/zinc/24/73/07/1097247307.db2.gz ZHLIOOWVVYZARN-HNNXBMFYSA-N 2 0 338.521 2.181 10 0 EEAERP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001443608438 1098103231 /nfs/dbraw/zinc/10/32/31/1098103231.db2.gz JQBBSISJJOFRFO-INIZCTEOSA-N 2 0 349.475 2.058 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC001479718199 1098801647 /nfs/dbraw/zinc/80/16/47/1098801647.db2.gz QYHGJIFAXKVLJL-KFWWJZLASA-N 2 0 331.451 2.343 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001479805297 1099046159 /nfs/dbraw/zinc/04/61/59/1099046159.db2.gz BNXLMSMLKIVHKR-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001444637419 1099464749 /nfs/dbraw/zinc/46/47/49/1099464749.db2.gz QILOVEFRMNCJRH-UONOGXRCSA-N 2 0 333.411 2.066 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)N(C)C(=O)CC[NH+](C)C ZINC001444661059 1099497710 /nfs/dbraw/zinc/49/77/10/1099497710.db2.gz CBQLVHYUTZKDQT-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)on1 ZINC001444691891 1099542894 /nfs/dbraw/zinc/54/28/94/1099542894.db2.gz JLQBZDIWZWFYCR-NVXWUHKLSA-N 2 0 336.480 2.182 10 0 EEAERP C[C@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1cccc(F)c1 ZINC001480060766 1099586232 /nfs/dbraw/zinc/58/62/32/1099586232.db2.gz VTKWAERLYWPILD-KBXCAEBGSA-N 2 0 345.462 2.467 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001480122149 1099686285 /nfs/dbraw/zinc/68/62/85/1099686285.db2.gz QWDXRTQQVHMFQY-PXNSSMCTSA-N 2 0 343.515 2.322 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001480142289 1099709073 /nfs/dbraw/zinc/70/90/73/1099709073.db2.gz NVIQMBBCWUOPFR-IHRRRGAJSA-N 2 0 329.435 2.143 10 0 EEAERP COCc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001444857480 1099846105 /nfs/dbraw/zinc/84/61/05/1099846105.db2.gz FSAFCTFRGVYOAH-OALUTQOASA-N 2 0 347.503 2.158 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001480228343 1099850035 /nfs/dbraw/zinc/85/00/35/1099850035.db2.gz VYFHVTGWJADDTL-XDNAFOTISA-N 2 0 337.508 2.055 10 0 EEAERP COCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001480262915 1099946079 /nfs/dbraw/zinc/94/60/79/1099946079.db2.gz OGOKICWTWGRXMD-LJQANCHMSA-N 2 0 347.503 2.113 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1C[C@H]1CC(C)(C)CO1 ZINC001480330615 1100085161 /nfs/dbraw/zinc/08/51/61/1100085161.db2.gz HYTLYLXCZVEDEA-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CN(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001444993132 1100123241 /nfs/dbraw/zinc/12/32/41/1100123241.db2.gz JQTPTLKEUKGLBP-HOTGVXAUSA-N 2 0 343.462 2.439 10 0 EEAERP O=C(Cc1ncc[nH]1)N1CCCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001480364142 1100138183 /nfs/dbraw/zinc/13/81/83/1100138183.db2.gz KVZRAIGKLMLYFR-KRWDZBQOSA-N 2 0 348.491 2.130 10 0 EEAERP CCCCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001480404967 1100219284 /nfs/dbraw/zinc/21/92/84/1100219284.db2.gz JTTDBHKTLGWBPA-DAWZGUTISA-N 2 0 339.524 2.304 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480472777 1100281080 /nfs/dbraw/zinc/28/10/80/1100281080.db2.gz BJRJBFYXBCTSGW-KXBFYZLASA-N 2 0 344.503 2.391 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001445081855 1100293782 /nfs/dbraw/zinc/29/37/82/1100293782.db2.gz BVPCBHGAOHIPHD-UHFFFAOYSA-N 2 0 330.476 2.398 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480536340 1100365862 /nfs/dbraw/zinc/36/58/62/1100365862.db2.gz FNHXKYTVEZITPD-HZPDHXFCSA-N 2 0 340.471 2.171 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001496247679 1100817555 /nfs/dbraw/zinc/81/75/55/1100817555.db2.gz GNCZTHXDPMJWTP-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1nc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCCC2)c(C)o1 ZINC001495182122 1100856370 /nfs/dbraw/zinc/85/63/70/1100856370.db2.gz QTFLRJRWVFAOPM-KRWDZBQOSA-N 2 0 348.491 2.294 10 0 EEAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC001446447846 1100868003 /nfs/dbraw/zinc/86/80/03/1100868003.db2.gz SCNUKIZSFRPLFQ-FUHWJXTLSA-N 2 0 349.523 2.074 10 0 EEAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001495191051 1100868990 /nfs/dbraw/zinc/86/89/90/1100868990.db2.gz HFJLFUNJXALLME-MRXNPFEDSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001495358499 1101071848 /nfs/dbraw/zinc/07/18/48/1101071848.db2.gz FWMBQGIXWNRQOO-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP COCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001495389286 1101108388 /nfs/dbraw/zinc/10/83/88/1101108388.db2.gz CECFRSMDPRXCNT-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001495527669 1101243375 /nfs/dbraw/zinc/24/33/75/1101243375.db2.gz YDUOTGNQUKRKIB-HNNXBMFYSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1CC[NH+](CCCF)CC1 ZINC001495539188 1101255125 /nfs/dbraw/zinc/25/51/25/1101255125.db2.gz BQXMVHRIUVYGQG-IYBDPMFKSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC001496707294 1101307585 /nfs/dbraw/zinc/30/75/85/1101307585.db2.gz OKAVMCVFAWYEKW-SZVBFZGTSA-N 2 0 329.488 2.404 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)Cn2ccnc2C)c1 ZINC001496836376 1101566539 /nfs/dbraw/zinc/56/65/39/1101566539.db2.gz RDOVBBMUMLITKZ-OAHLLOKOSA-N 2 0 344.459 2.352 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001495807228 1101622135 /nfs/dbraw/zinc/62/21/35/1101622135.db2.gz BXTGYQJHLIILHB-KDOFPFPSSA-N 2 0 333.451 2.251 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001446959488 1101662482 /nfs/dbraw/zinc/66/24/82/1101662482.db2.gz VKCNZBTUHALYJO-BTTYYORXSA-N 2 0 335.414 2.250 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC001447044296 1101844918 /nfs/dbraw/zinc/84/49/18/1101844918.db2.gz TYFLSKMNKBIMDQ-FUHWJXTLSA-N 2 0 333.451 2.200 10 0 EEAERP Cc1ccc(CC[NH+]2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)cc1 ZINC001447120725 1102024763 /nfs/dbraw/zinc/02/47/63/1102024763.db2.gz ZTHUGACMGQNDEM-UHFFFAOYSA-N 2 0 343.515 2.414 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497208594 1102129982 /nfs/dbraw/zinc/12/99/82/1102129982.db2.gz SBBFHVQQMCSUJD-PBHICJAKSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145007 1102133343 /nfs/dbraw/zinc/13/33/43/1102133343.db2.gz ODAQBMYLQCALIU-CYBMUJFWSA-N 2 0 326.872 2.013 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccc(F)cn2)CCC1 ZINC001447208647 1102204571 /nfs/dbraw/zinc/20/45/71/1102204571.db2.gz ICJCJPOHFCFACU-KRWDZBQOSA-N 2 0 348.466 2.224 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497271918 1102229859 /nfs/dbraw/zinc/22/98/59/1102229859.db2.gz PKSIOVFPYKNGKT-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001497301223 1102280897 /nfs/dbraw/zinc/28/08/97/1102280897.db2.gz QYWBUJPBNPOPSE-AEFFLSMTSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001497301224 1102281368 /nfs/dbraw/zinc/28/13/68/1102281368.db2.gz QYWBUJPBNPOPSE-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001497309027 1102292602 /nfs/dbraw/zinc/29/26/02/1102292602.db2.gz XKBUJRJCJPSEBQ-CRAIPNDOSA-N 2 0 327.472 2.254 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC001447293821 1102380622 /nfs/dbraw/zinc/38/06/22/1102380622.db2.gz DXAMKFKNLYSCAV-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001447371025 1102544693 /nfs/dbraw/zinc/54/46/93/1102544693.db2.gz BKUMGKFZOSLZQX-GJZGRUSLSA-N 2 0 336.480 2.136 10 0 EEAERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001497580795 1102694908 /nfs/dbraw/zinc/69/49/08/1102694908.db2.gz XVMQYJASIYSTGW-PHWHVTFISA-N 2 0 345.487 2.330 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC001447565303 1102873293 /nfs/dbraw/zinc/87/32/93/1102873293.db2.gz NQJZEJUSSZSGMF-UHFFFAOYSA-N 2 0 332.492 2.284 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001497815564 1103142318 /nfs/dbraw/zinc/14/23/18/1103142318.db2.gz AUHUPISBYDYBFO-APWZRJJASA-N 2 0 347.503 2.205 10 0 EEAERP CC[N@H+](CCOC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001447737843 1103203534 /nfs/dbraw/zinc/20/35/34/1103203534.db2.gz PAMSXOQXUJDNKF-CALCHBBNSA-N 2 0 339.524 2.066 10 0 EEAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001493977593 1103245716 /nfs/dbraw/zinc/24/57/16/1103245716.db2.gz NUVYMXDOJOMQNQ-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C/C=C\Cl)C2)C1 ZINC001447780193 1103314746 /nfs/dbraw/zinc/31/47/46/1103314746.db2.gz XQQRDONMSURNGR-FMQFUMSTSA-N 2 0 327.900 2.251 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001494083748 1103497074 /nfs/dbraw/zinc/49/70/74/1103497074.db2.gz QPNYMHXWYGERNP-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H]([NH2+]Cc1cncs1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001447905533 1103563999 /nfs/dbraw/zinc/56/39/99/1103563999.db2.gz JXNVBYWUYHLUAV-OLZOCXBDSA-N 2 0 326.510 2.104 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001448062587 1103922621 /nfs/dbraw/zinc/92/26/21/1103922621.db2.gz JHUVENGRUUDMSI-DYVFJYSZSA-N 2 0 339.430 2.386 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001448147408 1104109443 /nfs/dbraw/zinc/10/94/43/1104109443.db2.gz MMDSVXRQCASWQX-CVEARBPZSA-N 2 0 333.476 2.289 10 0 EEAERP Cc1cccc(C)c1OCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448148098 1104110634 /nfs/dbraw/zinc/11/06/34/1104110634.db2.gz NRGJFFXGAWMRLI-MSOLQXFVSA-N 2 0 347.503 2.070 10 0 EEAERP Cc1cccc(C)c1OCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448148100 1104111232 /nfs/dbraw/zinc/11/12/32/1104111232.db2.gz NRGJFFXGAWMRLI-ROUUACIJSA-N 2 0 347.503 2.070 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCCC2)O1 ZINC001448236814 1104227180 /nfs/dbraw/zinc/22/71/80/1104227180.db2.gz PWMFZKNQJADDIO-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001494685542 1104273193 /nfs/dbraw/zinc/27/31/93/1104273193.db2.gz LZALYBXGOGEWDZ-ULQDDVLXSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480624294 1106785553 /nfs/dbraw/zinc/78/55/53/1106785553.db2.gz FQEOTRUVUULKGP-MOPGFXCFSA-N 2 0 329.488 2.070 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccnc2C)C1)[NH+](CC)CC ZINC001480664246 1106842446 /nfs/dbraw/zinc/84/24/46/1106842446.db2.gz WSWJHNBNDOWVQP-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC001480701994 1106915556 /nfs/dbraw/zinc/91/55/56/1106915556.db2.gz ONQFGNBFAAEAFK-IAGOWNOFSA-N 2 0 349.523 2.107 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161954 1107005485 /nfs/dbraw/zinc/00/54/85/1107005485.db2.gz YPJXLQCAROHIOR-INIZCTEOSA-N 2 0 345.487 2.164 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC001480786348 1107115753 /nfs/dbraw/zinc/11/57/53/1107115753.db2.gz NQUOXVLORWSJSG-WWGRRREGSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480793412 1107126934 /nfs/dbraw/zinc/12/69/34/1107126934.db2.gz AXQNNRYGYPEYQJ-ZBFHGGJFSA-N 2 0 336.480 2.230 10 0 EEAERP Cc1ccncc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001498283251 1107213659 /nfs/dbraw/zinc/21/36/59/1107213659.db2.gz WQGUTPGAMPUFGS-FUHWJXTLSA-N 2 0 332.492 2.199 10 0 EEAERP CC1CC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480834248 1107234933 /nfs/dbraw/zinc/23/49/33/1107234933.db2.gz LTJBWBLPDJNYRP-ABHNRTSZSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ncccc1C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498358283 1107377288 /nfs/dbraw/zinc/37/72/88/1107377288.db2.gz YCYQXHJCBCAARJ-HNNXBMFYSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001493110437 1107513129 /nfs/dbraw/zinc/51/31/29/1107513129.db2.gz KAURVQVMOJEOON-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001498493830 1107631625 /nfs/dbraw/zinc/63/16/25/1107631625.db2.gz ZZLXTPXVPKEBLY-GHKWRAHLSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001498549987 1107703954 /nfs/dbraw/zinc/70/39/54/1107703954.db2.gz MMSBGJUJOVLHPZ-IUODEOHRSA-N 2 0 338.521 2.038 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cnoc2C)C1)[NH+](CC)CC ZINC001493235717 1107739438 /nfs/dbraw/zinc/73/94/38/1107739438.db2.gz HNYVPRODXIUJPA-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001498610175 1107804141 /nfs/dbraw/zinc/80/41/41/1107804141.db2.gz AIEVQODZYDAQQO-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP CCCCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001493836142 1108718378 /nfs/dbraw/zinc/71/83/78/1108718378.db2.gz GEGNHNBYHNIILW-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001457104733 1109461025 /nfs/dbraw/zinc/46/10/25/1109461025.db2.gz WOORGYPJFMEHRY-RTBURBONSA-N 2 0 344.503 2.478 10 0 EEAERP CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C)C3)C2)(c2ccccc2)CC1 ZINC001467634674 1110460930 /nfs/dbraw/zinc/46/09/30/1110460930.db2.gz KOHRBSBLSHRRKI-UHFFFAOYSA-N 2 0 341.499 2.204 10 0 EEAERP CCOC(=O)CCCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473875506 1110583268 /nfs/dbraw/zinc/58/32/68/1110583268.db2.gz QCWLGSIDXBYSEC-UHFFFAOYSA-N 2 0 340.508 2.423 10 0 EEAERP OCC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1CO ZINC001473893228 1110584511 /nfs/dbraw/zinc/58/45/11/1110584511.db2.gz OJWKWULAKOINLL-WOJBJXKFSA-N 2 0 332.488 2.095 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001479319752 1110680665 /nfs/dbraw/zinc/68/06/65/1110680665.db2.gz SOUUCLBQPLDXFC-HLIPFELVSA-N 2 0 343.515 2.228 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001479393267 1110690716 /nfs/dbraw/zinc/69/07/16/1110690716.db2.gz FFNLXJTWOGDWQO-BFYDXBDKSA-N 2 0 333.476 2.192 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccc4c(c3)CCC4)CC2)C1 ZINC001499422777 1112279724 /nfs/dbraw/zinc/27/97/24/1112279724.db2.gz YGJGVXLEBZIZBG-QGZVFWFLSA-N 2 0 341.499 2.256 10 0 EEAERP CN(C)[C@H](C(=O)NCC1([NH2+]Cc2cncs2)CC1)c1ccccc1 ZINC001499458668 1112295922 /nfs/dbraw/zinc/29/59/22/1112295922.db2.gz LGIAZEPTSVVSPO-INIZCTEOSA-N 2 0 344.484 2.184 10 0 EEAERP COCC[N@H+](CC=C(C)C)C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001499539541 1112353904 /nfs/dbraw/zinc/35/39/04/1112353904.db2.gz QDGWVWYBLVGYNG-UHFFFAOYSA-N 2 0 348.491 2.179 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001500131301 1112631212 /nfs/dbraw/zinc/63/12/12/1112631212.db2.gz MDIUKOPAQRNZLW-IBGZPJMESA-N 2 0 346.519 2.495 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001501091555 1113195768 /nfs/dbraw/zinc/19/57/68/1113195768.db2.gz OPOSRDTUIZXRCE-LPHOPBHVSA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cncc(C)c2)C1 ZINC001501146061 1113214773 /nfs/dbraw/zinc/21/47/73/1113214773.db2.gz IQHQSOMZSTUSKV-PKOBYXMFSA-N 2 0 346.519 2.306 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[NH+](C/C=C\Cl)CC3)CC1 ZINC001501742210 1113458897 /nfs/dbraw/zinc/45/88/97/1113458897.db2.gz SPGIHAVOGOEEBC-BAQGIRSFSA-N 2 0 325.884 2.005 10 0 EEAERP CCOCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001501968306 1113541373 /nfs/dbraw/zinc/54/13/73/1113541373.db2.gz LPCZEKDZKIPWMK-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP O=C(NCC1([NH2+]C/C=C\Cl)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001502008764 1113556515 /nfs/dbraw/zinc/55/65/15/1113556515.db2.gz PZGXJPLCHHZQNG-USBNPNPXSA-N 2 0 325.884 2.384 10 0 EEAERP Cc1c(C(=O)N(C)CCC[N@H+](C)C[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001502350240 1113639616 /nfs/dbraw/zinc/63/96/16/1113639616.db2.gz UVFZEPUVTLCPHI-INIZCTEOSA-N 2 0 344.459 2.073 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2sc(C)nc2C)C1 ZINC001505528181 1114035893 /nfs/dbraw/zinc/03/58/93/1114035893.db2.gz GXOOURFXDUUOBX-UHFFFAOYSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCOC1CCC1 ZINC001505606617 1114081877 /nfs/dbraw/zinc/08/18/77/1114081877.db2.gz UUCXEVUPBLCLLA-JKSUJKDBSA-N 2 0 339.524 2.303 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)ccc1C ZINC001505621013 1114089624 /nfs/dbraw/zinc/08/96/24/1114089624.db2.gz BRXUAAMXAVVNJT-HOTGVXAUSA-N 2 0 347.503 2.471 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001505679925 1114127570 /nfs/dbraw/zinc/12/75/70/1114127570.db2.gz YJCGHKUSZNPYEU-UONOGXRCSA-N 2 0 332.448 2.152 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505684370 1114130027 /nfs/dbraw/zinc/13/00/27/1114130027.db2.gz AOKVXDRHTKMCHR-NEPJUHHUSA-N 2 0 329.847 2.414 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001505760640 1114174684 /nfs/dbraw/zinc/17/46/84/1114174684.db2.gz NPMDEECPUNHHJW-UONOGXRCSA-N 2 0 344.459 2.341 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001505791210 1114194138 /nfs/dbraw/zinc/19/41/38/1114194138.db2.gz FVLSQKPMLXUMOE-WWDZGPRUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CCCc1ccsc1 ZINC001506038624 1114365292 /nfs/dbraw/zinc/36/52/92/1114365292.db2.gz LWVFOOPZCZTJJJ-NVXWUHKLSA-N 2 0 337.533 2.459 10 0 EEAERP CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001506731830 1114842109 /nfs/dbraw/zinc/84/21/09/1114842109.db2.gz SPVYOHQDFICSLB-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001506970416 1115020605 /nfs/dbraw/zinc/02/06/05/1115020605.db2.gz UUTKTUDBGKVJKJ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001507074452 1115093653 /nfs/dbraw/zinc/09/36/53/1115093653.db2.gz UBHGKTAYZRYWSE-PXNSSMCTSA-N 2 0 343.515 2.398 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)ccc1Cl ZINC001507117042 1115116652 /nfs/dbraw/zinc/11/66/52/1115116652.db2.gz FOQMCVMITAXFEJ-CYBMUJFWSA-N 2 0 341.883 2.237 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001507295630 1115178702 /nfs/dbraw/zinc/17/87/02/1115178702.db2.gz DEGAVRIZSUBSDQ-QZTJIDSGSA-N 2 0 347.503 2.293 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001507425718 1115262286 /nfs/dbraw/zinc/26/22/86/1115262286.db2.gz CYNZFLNCORDNDG-JKSUJKDBSA-N 2 0 335.517 2.261 10 0 EEAERP Cc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001508065809 1115409050 /nfs/dbraw/zinc/40/90/50/1115409050.db2.gz BLAYQLUBXBQKTH-ZBFHGGJFSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](Cc2ccccn2)CC1 ZINC001508074417 1115412354 /nfs/dbraw/zinc/41/23/54/1115412354.db2.gz OPEJLGHIYMCYHX-INIZCTEOSA-N 2 0 344.503 2.283 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCc2ccsc2)C1 ZINC001508128624 1115424730 /nfs/dbraw/zinc/42/47/30/1115424730.db2.gz ZQQZVPCPIMIQOS-OFLPRAFFSA-N 2 0 335.517 2.354 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001508141472 1115426783 /nfs/dbraw/zinc/42/67/83/1115426783.db2.gz POWWOZPYQQIVPO-VMPITWQZSA-N 2 0 339.483 2.375 10 0 EEAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2oc(C)nc2C)CC1 ZINC001508227788 1115453187 /nfs/dbraw/zinc/45/31/87/1115453187.db2.gz AOUYVCQCVPYGQS-UHFFFAOYSA-N 2 0 348.491 2.272 10 0 EEAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567916932 1124177809 /nfs/dbraw/zinc/17/78/09/1124177809.db2.gz BZWKMOHLAXYZJZ-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+]Cc3ccon3)CC2)CC[N@@H+]1C ZINC001568085276 1124290948 /nfs/dbraw/zinc/29/09/48/1124290948.db2.gz VOUPYTRKLBTSPO-ZWKOTPCHSA-N 2 0 348.491 2.123 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568118687 1124311951 /nfs/dbraw/zinc/31/19/51/1124311951.db2.gz BNMVBJFWLSCSPJ-MSOLQXFVSA-N 2 0 333.451 2.379 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001568630398 1124645266 /nfs/dbraw/zinc/64/52/66/1124645266.db2.gz BUCCRAOGNPNSJA-HIFRSBDPSA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001568633286 1124648392 /nfs/dbraw/zinc/64/83/92/1124648392.db2.gz BLLLNKOXEBNIMP-AEGPPILISA-N 2 0 331.451 2.246 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(Cl)ccc1F)NC(=O)CC[NH+](C)C ZINC001568672646 1124686446 /nfs/dbraw/zinc/68/64/46/1124686446.db2.gz PYGVLIGUHQJZJX-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001568713342 1124730269 /nfs/dbraw/zinc/73/02/69/1124730269.db2.gz DULMHXVQQUYNFW-AEFFLSMTSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001568920463 1124948927 /nfs/dbraw/zinc/94/89/27/1124948927.db2.gz VYUVUSMFCGIEKU-JZIMQPMSSA-N 2 0 333.451 2.238 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001568927828 1124958208 /nfs/dbraw/zinc/95/82/08/1124958208.db2.gz CQIJOKCJAONTOG-ISZGNANSSA-N 2 0 335.414 2.464 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@H]1CCCc2ccccc21 ZINC001568964810 1125001155 /nfs/dbraw/zinc/00/11/55/1125001155.db2.gz XOEKTOCCZUDRQQ-RTLBZRNLSA-N 2 0 327.472 2.422 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001569124398 1125113778 /nfs/dbraw/zinc/11/37/78/1125113778.db2.gz HLVLYWHNXYUGFE-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001569221023 1125175580 /nfs/dbraw/zinc/17/55/80/1125175580.db2.gz DIEGBJSVZOOOQP-OAHLLOKOSA-N 2 0 329.448 2.365 10 0 EEAERP CC[NH+]1CCC(N(C)c2ncc(Br)cc2C[NH3+])CC1 ZINC000051397752 214091903 /nfs/dbraw/zinc/09/19/03/214091903.db2.gz OTHHSFKYCRCRKM-UHFFFAOYSA-N 2 0 327.270 2.223 10 0 EEAERP C[N@@H+]1CCCN(c2ncc(Br)cc2C[NH2+]C2CC2)CC1 ZINC000051437435 214094280 /nfs/dbraw/zinc/09/42/80/214094280.db2.gz UOJPESGDXALRIU-UHFFFAOYSA-N 2 0 339.281 2.238 10 0 EEAERP COCC[NH+](CCOC)CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000053941995 214206957 /nfs/dbraw/zinc/20/69/57/214206957.db2.gz WGVVEWVTNUXDHT-HNNXBMFYSA-N 2 0 345.281 2.434 10 0 EEAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000369540450 283092675 /nfs/dbraw/zinc/09/26/75/283092675.db2.gz JGNPZDGCNMVUFR-FCCDEINASA-N 2 0 334.508 2.129 10 0 EEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000462728168 535303819 /nfs/dbraw/zinc/30/38/19/535303819.db2.gz HTMKQMCEJVUMPD-BBWFWOEESA-N 2 0 326.529 2.479 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000247158106 243383171 /nfs/dbraw/zinc/38/31/71/243383171.db2.gz KGXFVYAZJNOXEY-ZTFGCOKTSA-N 2 0 348.466 2.307 10 0 EEAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)[nH+]1 ZINC000092813379 218169505 /nfs/dbraw/zinc/16/95/05/218169505.db2.gz OCYQXXYWUKJCSO-ZDUSSCGKSA-N 2 0 330.457 2.484 10 0 EEAERP COc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c2nccn2C)cc1 ZINC000415119107 533196800 /nfs/dbraw/zinc/19/68/00/533196800.db2.gz WWEWXGYZUBDEII-RKVPGOIHSA-N 2 0 328.460 2.496 10 0 EEAERP C[NH2+]C(C)(C)CNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000270531654 256144980 /nfs/dbraw/zinc/14/49/80/256144980.db2.gz UYMZKMWRIKNGPN-GFCCVEGCSA-N 2 0 339.509 2.495 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000185172543 285367666 /nfs/dbraw/zinc/36/76/66/285367666.db2.gz UTKVEAJKMHRRKS-IAGOWNOFSA-N 2 0 338.540 2.480 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729291 285373942 /nfs/dbraw/zinc/37/39/42/285373942.db2.gz HRMKTRIAKXLITF-SFHVURJKSA-N 2 0 342.443 2.177 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+]1C ZINC000415954906 533590421 /nfs/dbraw/zinc/59/04/21/533590421.db2.gz LEQXSLHUFIWIBZ-OCCSQVGLSA-N 2 0 334.439 2.418 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[NH+](C)C1CC1 ZINC000248574361 160350388 /nfs/dbraw/zinc/35/03/88/160350388.db2.gz OHJUCQDQDIPYSG-QFBILLFUSA-N 2 0 344.503 2.243 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000129071110 292351433 /nfs/dbraw/zinc/35/14/33/292351433.db2.gz MDLVRZBBGIIRCL-SQNIBIBYSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@]1(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)CC[NH2+]C1 ZINC000262023678 160434299 /nfs/dbraw/zinc/43/42/99/160434299.db2.gz NJKYMVLVGOTUBO-GOSISDBHSA-N 2 0 335.517 2.118 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000129655997 292361130 /nfs/dbraw/zinc/36/11/30/292361130.db2.gz TYNSPOOQMLSPFD-PKOBYXMFSA-N 2 0 329.488 2.245 10 0 EEAERP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193649583 160184935 /nfs/dbraw/zinc/18/49/35/160184935.db2.gz YGQJDJATZAVJLQ-YESZJQIVSA-N 2 0 342.487 2.107 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000194813966 160200840 /nfs/dbraw/zinc/20/08/40/160200840.db2.gz DBXJBPUFKXCTAW-MOPGFXCFSA-N 2 0 327.472 2.422 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCc2ccccc2Cn2ccnc2)CC[N@@H+]1C ZINC000352150227 162086416 /nfs/dbraw/zinc/08/64/16/162086416.db2.gz WJCQOKMJNDCMEI-HOTGVXAUSA-N 2 0 326.444 2.278 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCn1ccnc1 ZINC000369993939 166371961 /nfs/dbraw/zinc/37/19/61/166371961.db2.gz FZXRUEWLKYUODF-KRWDZBQOSA-N 2 0 326.444 2.396 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000375465712 167140203 /nfs/dbraw/zinc/14/02/03/167140203.db2.gz PRQBMCLDNQOXIK-KRWDZBQOSA-N 2 0 347.507 2.152 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423057615 299000643 /nfs/dbraw/zinc/00/06/43/299000643.db2.gz HNKGGUYPXYHJDK-XCRHUMRWSA-N 2 0 337.895 2.040 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000271571167 274142112 /nfs/dbraw/zinc/14/21/12/274142112.db2.gz ZCOOQQQINXYECT-LSTHTHJFSA-N 2 0 332.488 2.274 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179472618 277165966 /nfs/dbraw/zinc/16/59/66/277165966.db2.gz GRIGEPONIUYRNQ-OALUTQOASA-N 2 0 342.487 2.169 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]3C[NH3+])C2)c1 ZINC000422879595 277835784 /nfs/dbraw/zinc/83/57/84/277835784.db2.gz VPKAERQLBBWDLD-CLCXKQKWSA-N 2 0 333.476 2.247 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173824005 279843115 /nfs/dbraw/zinc/84/31/15/279843115.db2.gz PFGKZYUHTSMXAM-RBUKOAKNSA-N 2 0 348.535 2.399 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000170830887 289311680 /nfs/dbraw/zinc/31/16/80/289311680.db2.gz KVGRIPISCSVNMZ-GOSISDBHSA-N 2 0 344.503 2.169 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422718254 292805010 /nfs/dbraw/zinc/80/50/10/292805010.db2.gz WUUDQSJVVIWGJI-QGZVFWFLSA-N 2 0 342.443 2.177 10 0 EEAERP CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-n4ccnc4)cc3)[C@H]2C1 ZINC000293158512 293140242 /nfs/dbraw/zinc/14/02/42/293140242.db2.gz FKJZLAOAONXYJP-RBUKOAKNSA-N 2 0 326.444 2.167 10 0 EEAERP CC(C)C[C@@H]([NH3+])CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414740295 313073903 /nfs/dbraw/zinc/07/39/03/313073903.db2.gz JVDSRGXHNWCHCB-LJQANCHMSA-N 2 0 338.584 2.488 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416836351 313329731 /nfs/dbraw/zinc/32/97/31/313329731.db2.gz VBUIOKAWQYJZOT-IXDOHACOSA-N 2 0 346.475 2.058 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000416848806 313335352 /nfs/dbraw/zinc/33/53/52/313335352.db2.gz WWZCZGUUBUFQPD-ZWKOTPCHSA-N 2 0 344.434 2.428 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000416870136 313342494 /nfs/dbraw/zinc/34/24/94/313342494.db2.gz HWJGTKMKFHZVQA-UHFFFAOYSA-N 2 0 332.492 2.075 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416874332 313343825 /nfs/dbraw/zinc/34/38/25/313343825.db2.gz PMTIAFKGXUHFOU-ROUUACIJSA-N 2 0 330.476 2.209 10 0 EEAERP [NH3+]C1(CNC(=O)NCCC[NH+]2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000416883852 313348237 /nfs/dbraw/zinc/34/82/37/313348237.db2.gz KDPHWKCOUMNPDQ-UHFFFAOYSA-N 2 0 348.535 2.315 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417026586 313400735 /nfs/dbraw/zinc/40/07/35/313400735.db2.gz NMDPQHVOBPZVCG-SZNINPNASA-N 2 0 336.524 2.279 10 0 EEAERP CN(CCC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1cc[nH+]cc1 ZINC000527047163 317145451 /nfs/dbraw/zinc/14/54/51/317145451.db2.gz CAEJGEFMWPLUQJ-UHFFFAOYSA-N 2 0 340.471 2.328 10 0 EEAERP CN(CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000540928503 318084763 /nfs/dbraw/zinc/08/47/63/318084763.db2.gz ABKNGQCZPWRANF-GOSISDBHSA-N 2 0 326.444 2.327 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000541537179 318102477 /nfs/dbraw/zinc/10/24/77/318102477.db2.gz XRSBRAXUHZPFBW-INIZCTEOSA-N 2 0 337.431 2.079 10 0 EEAERP CN(CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cc[nH+]cc1 ZINC000541857382 318112506 /nfs/dbraw/zinc/11/25/06/318112506.db2.gz LEGDAMHFJVKIMP-SFHVURJKSA-N 2 0 330.476 2.385 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000548518432 318393858 /nfs/dbraw/zinc/39/38/58/318393858.db2.gz BWKHYZANWVPMJU-IBGZPJMESA-N 2 0 346.519 2.490 10 0 EEAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000561182292 318829239 /nfs/dbraw/zinc/82/92/39/318829239.db2.gz GJTJPONJBDFKJP-QAPCUYQASA-N 2 0 329.488 2.428 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000564152143 319068975 /nfs/dbraw/zinc/06/89/75/319068975.db2.gz MCKXYPAIMXWVSV-HZPDHXFCSA-N 2 0 345.462 2.238 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986172 319135963 /nfs/dbraw/zinc/13/59/63/319135963.db2.gz HHXGJORBUBYPNY-FQEVSTJZSA-N 2 0 341.455 2.138 10 0 EEAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565533932 319191247 /nfs/dbraw/zinc/19/12/47/319191247.db2.gz PUHAZQIMBAVNJH-AZUAARDMSA-N 2 0 340.471 2.425 10 0 EEAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000565891069 319224206 /nfs/dbraw/zinc/22/42/06/319224206.db2.gz INQRVJWPRXITCD-VUHPKUFZSA-N 2 0 333.451 2.377 10 0 EEAERP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000573236474 319916428 /nfs/dbraw/zinc/91/64/28/319916428.db2.gz ARPFEUUJMQNYLD-PZJWPPBQSA-N 2 0 345.531 2.385 10 0 EEAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000580312127 324036990 /nfs/dbraw/zinc/03/69/90/324036990.db2.gz OTYVFIFZJQQWDP-CEXWTWQISA-N 2 0 340.471 2.427 10 0 EEAERP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000165905071 463648722 /nfs/dbraw/zinc/64/87/22/463648722.db2.gz QECRJRVGVSLQPN-GJYPPUQNSA-N 2 0 345.487 2.034 10 0 EEAERP Cc1ccc2[nH+]ccc(N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000354581925 465036280 /nfs/dbraw/zinc/03/62/80/465036280.db2.gz SDHMXJQVNRCPDA-UHFFFAOYSA-N 2 0 326.444 2.144 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000073988604 462540913 /nfs/dbraw/zinc/54/09/13/462540913.db2.gz HPYRAFXFRJMTPL-KRWDZBQOSA-N 2 0 330.476 2.159 10 0 EEAERP COc1cccc(OCC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000152660736 462565875 /nfs/dbraw/zinc/56/58/75/462565875.db2.gz XAVHSDVGAKWNBF-MRXNPFEDSA-N 2 0 336.476 2.099 10 0 EEAERP COc1ccccc1C[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127791010 462582929 /nfs/dbraw/zinc/58/29/29/462582929.db2.gz OAVHGGJJPONMQJ-HKUYNNGSSA-N 2 0 333.520 2.488 10 0 EEAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2c(s1)CCC2 ZINC000128078681 462607683 /nfs/dbraw/zinc/60/76/83/462607683.db2.gz QPLFCFOECYYBEM-ZFWWWQNUSA-N 2 0 335.517 2.475 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000052518816 463085031 /nfs/dbraw/zinc/08/50/31/463085031.db2.gz NJHYDDWFWCKFHW-GOSISDBHSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105186295 463443192 /nfs/dbraw/zinc/44/31/92/463443192.db2.gz IEFZRGGKOAWPIO-XMTFNYHQSA-N 2 0 336.524 2.233 10 0 EEAERP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000162001364 463475785 /nfs/dbraw/zinc/47/57/85/463475785.db2.gz WDZMYMXSXQDRHS-RTBURBONSA-N 2 0 331.504 2.398 10 0 EEAERP CNC(=O)C[NH+]1CCC(Nc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000185271055 463791231 /nfs/dbraw/zinc/79/12/31/463791231.db2.gz VYOSKMZDFBPLGA-UHFFFAOYSA-N 2 0 326.444 2.474 10 0 EEAERP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261869671 463884057 /nfs/dbraw/zinc/88/40/57/463884057.db2.gz NXSNFTWSGXJCDN-FUHWJXTLSA-N 2 0 345.487 2.006 10 0 EEAERP COc1ccccc1NC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261923290 463901169 /nfs/dbraw/zinc/90/11/69/463901169.db2.gz BVEQWVUFSNJVDK-LJQANCHMSA-N 2 0 331.460 2.345 10 0 EEAERP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000298565906 465433489 /nfs/dbraw/zinc/43/34/89/465433489.db2.gz WNGFSGAYVGSUAM-MJGOQNOKSA-N 2 0 331.504 2.038 10 0 EEAERP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262117344 463951393 /nfs/dbraw/zinc/95/13/93/463951393.db2.gz WYGXDYZONBWXHP-JKNJVXJCSA-N 2 0 331.460 2.028 10 0 EEAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279072149 464032530 /nfs/dbraw/zinc/03/25/30/464032530.db2.gz GDBOFPDTMUDBPK-LJQANCHMSA-N 2 0 328.460 2.199 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1ccnn1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000279207481 464064339 /nfs/dbraw/zinc/06/43/39/464064339.db2.gz VSIRZQICPNOYFD-FQEVSTJZSA-N 2 0 341.503 2.234 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000174271168 464387403 /nfs/dbraw/zinc/38/74/03/464387403.db2.gz HUNMTXJBMWNEQA-IRXDYDNUSA-N 2 0 334.508 2.153 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246497073 464591489 /nfs/dbraw/zinc/59/14/89/464591489.db2.gz SFOFUPHEXJYYHV-SJLPKXTDSA-N 2 0 338.540 2.480 10 0 EEAERP C[NH+](C)CCCC[NH2+]Cc1ncc(I)s1 ZINC000285602550 464625544 /nfs/dbraw/zinc/62/55/44/464625544.db2.gz YKLBPTCNEXHNFE-UHFFFAOYSA-N 2 0 339.246 2.179 10 0 EEAERP Cc1ccn2cc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)nc2c1 ZINC000266755766 464810244 /nfs/dbraw/zinc/81/02/44/464810244.db2.gz OJFKLZFIIBMJNZ-GOEBONIOSA-N 2 0 329.448 2.267 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000366380340 465691611 /nfs/dbraw/zinc/69/16/11/465691611.db2.gz OCFLCSPAKBTHBC-AOCRQIFASA-N 2 0 334.508 2.131 10 0 EEAERP COc1ccc(OC)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371296495 465695436 /nfs/dbraw/zinc/69/54/36/465695436.db2.gz ZWXWOFIJIUEDKK-SZVBFZGTSA-N 2 0 334.460 2.387 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362687521 465940210 /nfs/dbraw/zinc/94/02/10/465940210.db2.gz XLDRRDVRWDWBOY-DLBZAZTESA-N 2 0 341.540 2.048 10 0 EEAERP [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000357359534 465977613 /nfs/dbraw/zinc/97/76/13/465977613.db2.gz YZDFOLFSGKYZAW-UHFFFAOYSA-N 2 0 329.488 2.356 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353615528 466015781 /nfs/dbraw/zinc/01/57/81/466015781.db2.gz WIUFZDKFMXSMRI-MUGJNUQGSA-N 2 0 341.499 2.498 10 0 EEAERP O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000361471421 466023775 /nfs/dbraw/zinc/02/37/75/466023775.db2.gz ZTEXJYMHIWBEQN-INIZCTEOSA-N 2 0 345.462 2.358 10 0 EEAERP CCOC(=O)c1cnn(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000367150393 466161181 /nfs/dbraw/zinc/16/11/81/466161181.db2.gz FCCFNOICMAZYHW-MRXNPFEDSA-N 2 0 348.491 2.489 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349687572 466190218 /nfs/dbraw/zinc/19/02/18/466190218.db2.gz AXVKJSRQPUOLQI-MSOLQXFVSA-N 2 0 348.466 2.307 10 0 EEAERP c1cnc2c(c1)nccc2NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000338659675 466297021 /nfs/dbraw/zinc/29/70/21/466297021.db2.gz JNCWDPHREKARNA-UHFFFAOYSA-N 2 0 348.454 2.071 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000367416142 466323999 /nfs/dbraw/zinc/32/39/99/466323999.db2.gz SUCGFHNXQJPHMK-LJQANCHMSA-N 2 0 342.487 2.141 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@H]2CCC[C@@H]21 ZINC000367613043 466449277 /nfs/dbraw/zinc/44/92/77/466449277.db2.gz FBIDIOZRUHUSRK-IKGGRYGDSA-N 2 0 331.508 2.400 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000594132630 468493402 /nfs/dbraw/zinc/49/34/02/468493402.db2.gz BGWDZULXZIWOGC-IRXDYDNUSA-N 2 0 345.491 2.176 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000358192505 466529096 /nfs/dbraw/zinc/52/90/96/466529096.db2.gz PZNKMLSQPIECEM-SFHVURJKSA-N 2 0 344.503 2.458 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000358234348 466562141 /nfs/dbraw/zinc/56/21/41/466562141.db2.gz LEFARFTWCVYQQZ-SJORKVTESA-N 2 0 338.540 2.480 10 0 EEAERP C(C[NH+]1CCC2(CCCCC2)CC1)N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423113528 466693102 /nfs/dbraw/zinc/69/31/02/466693102.db2.gz YKQGZDICUJFDJU-OALUTQOASA-N 2 0 335.536 2.389 10 0 EEAERP COc1ccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1OC(F)F ZINC000662250258 472043455 /nfs/dbraw/zinc/04/34/55/472043455.db2.gz CKXVEMHIKAZDIX-ZDUSSCGKSA-N 2 0 342.386 2.249 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417051382 466765186 /nfs/dbraw/zinc/76/51/86/466765186.db2.gz ZTPURWGMCWHCDG-USTZCAOPSA-N 2 0 336.524 2.280 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417109611 466782304 /nfs/dbraw/zinc/78/23/04/466782304.db2.gz KRIZFEGEFMBWIR-IEBWSBKVSA-N 2 0 342.487 2.187 10 0 EEAERP C[C@H](C[NH3+])N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417591627 466890024 /nfs/dbraw/zinc/89/00/24/466890024.db2.gz XHNBURJETKEVGB-CCNLRDMRSA-N 2 0 330.476 2.171 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000417656648 466900870 /nfs/dbraw/zinc/90/08/70/466900870.db2.gz GRBJWTQGSRUODN-DZGCQCFKSA-N 2 0 336.455 2.156 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417698900 466911742 /nfs/dbraw/zinc/91/17/42/466911742.db2.gz FBHCKBHFIITQRY-LJQANCHMSA-N 2 0 336.524 2.428 10 0 EEAERP CCC[N@H+](CC)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000365716729 466916740 /nfs/dbraw/zinc/91/67/40/466916740.db2.gz DHOWCXWLFFYNHR-UHFFFAOYSA-N 2 0 332.492 2.455 10 0 EEAERP CCC1(CNC(=O)N[C@@H](C)C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000417915634 466983655 /nfs/dbraw/zinc/98/36/55/466983655.db2.gz CJSHLWUMPMWGBN-INIZCTEOSA-N 2 0 332.492 2.325 10 0 EEAERP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424296023 467023382 /nfs/dbraw/zinc/02/33/82/467023382.db2.gz RWTCMWGPBWXXHG-AWEZNQCLSA-N 2 0 349.441 2.497 10 0 EEAERP [NH3+]CCCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418344135 467095913 /nfs/dbraw/zinc/09/59/13/467095913.db2.gz FZXDRVPNKJOJDH-UHFFFAOYSA-N 2 0 330.476 2.033 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000418466765 467115276 /nfs/dbraw/zinc/11/52/76/467115276.db2.gz RPOAWDBGVSMEID-HNNXBMFYSA-N 2 0 326.444 2.377 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418610702 467135353 /nfs/dbraw/zinc/13/53/53/467135353.db2.gz GHGUGWDPBNFWDG-APWZRJJASA-N 2 0 344.503 2.290 10 0 EEAERP CN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418637965 467139073 /nfs/dbraw/zinc/13/90/73/467139073.db2.gz KFPFZHHZTFTQER-IBGZPJMESA-N 2 0 342.487 2.212 10 0 EEAERP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418757327 467155705 /nfs/dbraw/zinc/15/57/05/467155705.db2.gz YWWCFPMPVIAUKD-HNNXBMFYSA-N 2 0 346.466 2.281 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000428472049 467236530 /nfs/dbraw/zinc/23/65/30/467236530.db2.gz DZFRDQACOKDTJG-XLIONFOSSA-N 2 0 331.504 2.421 10 0 EEAERP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCN1 ZINC000383453846 467380890 /nfs/dbraw/zinc/38/08/90/467380890.db2.gz HTGJGTTVIAQHNS-WJFTUGDTSA-N 2 0 327.472 2.155 10 0 EEAERP COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420403385 467395984 /nfs/dbraw/zinc/39/59/84/467395984.db2.gz RHGHTYAVWPVQPJ-RDJZCZTQSA-N 2 0 332.444 2.316 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453265891 467473799 /nfs/dbraw/zinc/47/37/99/467473799.db2.gz OBCQKEFZWDBESS-HKUYNNGSSA-N 2 0 349.519 2.124 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059045 467478387 /nfs/dbraw/zinc/47/83/87/467478387.db2.gz WLVWWKHIUZUCSP-WMZOPIPTSA-N 2 0 332.444 2.202 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059042 467478442 /nfs/dbraw/zinc/47/84/42/467478442.db2.gz WLVWWKHIUZUCSP-SJLPKXTDSA-N 2 0 332.444 2.202 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528711726 467734830 /nfs/dbraw/zinc/73/48/30/467734830.db2.gz FPSBGVDIZAMUJC-HNNXBMFYSA-N 2 0 346.475 2.364 10 0 EEAERP C[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)N1CCc2ccccc2C1 ZINC000457973235 467743442 /nfs/dbraw/zinc/74/34/42/467743442.db2.gz HLRDEWGHWURXFK-HNNXBMFYSA-N 2 0 334.423 2.397 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000557135372 468615257 /nfs/dbraw/zinc/61/52/57/468615257.db2.gz AFRLHKZJQZMXOW-RBSFLKMASA-N 2 0 336.505 2.182 10 0 EEAERP C[C@]1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000571303968 468770360 /nfs/dbraw/zinc/77/03/60/468770360.db2.gz NNDCVTXWXYWYQT-IEBWSBKVSA-N 2 0 330.476 2.092 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1=O ZINC000571503632 468797099 /nfs/dbraw/zinc/79/70/99/468797099.db2.gz BUXUNWKINWKGCE-MRXNPFEDSA-N 2 0 325.456 2.456 10 0 EEAERP O=C1[C@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529974 468893071 /nfs/dbraw/zinc/89/30/71/468893071.db2.gz HMLZGPTYLTXVKN-MJGOQNOKSA-N 2 0 331.435 2.397 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593322221 468938261 /nfs/dbraw/zinc/93/82/61/468938261.db2.gz LVHFRZSKJINQDS-KSZLIROESA-N 2 0 332.444 2.334 10 0 EEAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000573675862 469182724 /nfs/dbraw/zinc/18/27/24/469182724.db2.gz VUMGYLACVAUURH-USXIJHARSA-N 2 0 333.451 2.166 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000615262735 469194240 /nfs/dbraw/zinc/19/42/40/469194240.db2.gz CFLPVSYJMUMBFS-IPMKNSEASA-N 2 0 345.487 2.001 10 0 EEAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000596604455 469311739 /nfs/dbraw/zinc/31/17/39/469311739.db2.gz IGMZULVNUWCJAN-UHFFFAOYSA-N 2 0 344.569 2.233 10 0 EEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625940497 469442502 /nfs/dbraw/zinc/44/25/02/469442502.db2.gz CSFFSFOUNRDKGI-AWEZNQCLSA-N 2 0 334.464 2.411 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000629392391 469529876 /nfs/dbraw/zinc/52/98/76/469529876.db2.gz MLTCGSKSFMNVLD-CYBMUJFWSA-N 2 0 327.856 2.191 10 0 EEAERP CN1CC[NH+](Cc2ccccc2-c2cnn(C3CC[NH2+]CC3)c2)CC1 ZINC000629735003 469618002 /nfs/dbraw/zinc/61/80/02/469618002.db2.gz DFEBKWBDUFOZOO-UHFFFAOYSA-N 2 0 339.487 2.222 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC1(C)C ZINC000623426491 469653339 /nfs/dbraw/zinc/65/33/39/469653339.db2.gz NLHUNZZXQUYZKK-LLVKDONJSA-N 2 0 331.386 2.370 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)(N2CCCCC2)CC1 ZINC000623432154 469655287 /nfs/dbraw/zinc/65/52/87/469655287.db2.gz GKOFKXWXWXHSCX-SFHVURJKSA-N 3 0 336.568 2.399 10 0 EEAERP OCCOC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(F)(F)CC1 ZINC000623638163 469718214 /nfs/dbraw/zinc/71/82/14/469718214.db2.gz XCUNLMNKFIDWAZ-CABCVRRESA-N 2 0 332.435 2.160 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000626936566 469761582 /nfs/dbraw/zinc/76/15/82/469761582.db2.gz JFXLODPTSHWZFV-ZACQAIPSSA-N 2 0 336.524 2.328 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009315 469788120 /nfs/dbraw/zinc/78/81/20/469788120.db2.gz GGTDBMOGRAPRJS-OQIJWPOYSA-N 2 0 344.503 2.337 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627199336 469841837 /nfs/dbraw/zinc/84/18/37/469841837.db2.gz VRMBPXOYYGPXBX-SJLPKXTDSA-N 2 0 332.492 2.209 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627202719 469842226 /nfs/dbraw/zinc/84/22/26/469842226.db2.gz SLHPCJHASXNHIH-AEFFLSMTSA-N 2 0 336.524 2.425 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(F)(F)F ZINC000625023437 470061847 /nfs/dbraw/zinc/06/18/47/470061847.db2.gz HELMUMMNHRLWRB-KGLIPLIRSA-N 2 0 337.430 2.449 10 0 EEAERP Cn1cc(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1 ZINC000625447350 470146608 /nfs/dbraw/zinc/14/66/08/470146608.db2.gz LPKURAWHNQWJSC-UHFFFAOYSA-N 2 0 339.487 2.346 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646934968 470781702 /nfs/dbraw/zinc/78/17/02/470781702.db2.gz YJLCGHIXFXYURT-XJKSGUPXSA-N 2 0 327.428 2.271 10 0 EEAERP [NH3+][C@@H]1CC=C(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000638113130 470969547 /nfs/dbraw/zinc/96/95/47/470969547.db2.gz ODYHAQNZXUKADU-MVCQKVDPSA-N 2 0 325.456 2.346 10 0 EEAERP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901904 471012314 /nfs/dbraw/zinc/01/23/14/471012314.db2.gz XGDVXYWBLJNBDA-CRAIPNDOSA-N 2 0 331.460 2.488 10 0 EEAERP C[NH+]1CCN(c2ccc(NCc3ccnn3-c3cc[nH+]cc3)cn2)CC1 ZINC000657399622 471126526 /nfs/dbraw/zinc/12/65/26/471126526.db2.gz AIMHVLBGNOKDQI-UHFFFAOYSA-N 2 0 349.442 2.026 10 0 EEAERP Nc1nc(NCc2cccc(C[NH+]3CCCC3)c2)c2c([nH+]1)CCCC2 ZINC000645117977 471144921 /nfs/dbraw/zinc/14/49/21/471144921.db2.gz OJRSREXLWRFRKH-UHFFFAOYSA-N 2 0 337.471 2.567 10 0 EEAERP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000657576347 471173346 /nfs/dbraw/zinc/17/33/46/471173346.db2.gz JREGRKPEPYEVFW-AHRSYUTCSA-N 2 0 347.503 2.202 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000651945241 471180805 /nfs/dbraw/zinc/18/08/05/471180805.db2.gz ULBCPQDOPZVLGU-XLIONFOSSA-N 2 0 332.488 2.213 10 0 EEAERP CC(C)n1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597321 471181215 /nfs/dbraw/zinc/18/12/15/471181215.db2.gz UBKMUOBDLVOTRL-LJQANCHMSA-N 2 0 328.460 2.320 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000652167268 471248895 /nfs/dbraw/zinc/24/88/95/471248895.db2.gz PDDFFPFPSQWZIZ-MRXNPFEDSA-N 2 0 332.492 2.183 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000652225469 471259254 /nfs/dbraw/zinc/25/92/54/471259254.db2.gz ZXOVPHZYKGHNBA-QZTJIDSGSA-N 2 0 338.540 2.386 10 0 EEAERP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652240247 471260950 /nfs/dbraw/zinc/26/09/50/471260950.db2.gz UOCZFQONDZLTTB-UHFFFAOYSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000658107277 471266561 /nfs/dbraw/zinc/26/65/61/471266561.db2.gz GFLCLNSNCIYXEZ-DLBZAZTESA-N 2 0 344.507 2.190 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000652291733 471268177 /nfs/dbraw/zinc/26/81/77/471268177.db2.gz GDGBNRUVDAATMW-MOPGFXCFSA-N 2 0 344.503 2.470 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000663506870 471405212 /nfs/dbraw/zinc/40/52/12/471405212.db2.gz WLMBDTNGHFBHMF-GOSISDBHSA-N 2 0 349.906 2.387 10 0 EEAERP CCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663656224 471461880 /nfs/dbraw/zinc/46/18/80/471461880.db2.gz WWGAQEMSPOSEHP-KURKYZTESA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C[NH+]1CCCC1 ZINC000659033745 471476232 /nfs/dbraw/zinc/47/62/32/471476232.db2.gz XYFBMHLQLMBVJZ-YJBOKZPZSA-N 2 0 346.475 2.201 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659036982 471478933 /nfs/dbraw/zinc/47/89/33/471478933.db2.gz UQAFWZMSQADKLG-CRAIPNDOSA-N 2 0 346.475 2.153 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663843448 471543477 /nfs/dbraw/zinc/54/34/77/471543477.db2.gz KWWOVJYOPYXFAQ-ROUUACIJSA-N 2 0 332.492 2.333 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000663849615 471548068 /nfs/dbraw/zinc/54/80/68/471548068.db2.gz TVXPWQILHYBCAL-JKSUJKDBSA-N 2 0 336.480 2.398 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000659273972 471561360 /nfs/dbraw/zinc/56/13/60/471561360.db2.gz FDHXRMWEUNTUEC-SFHVURJKSA-N 2 0 333.476 2.041 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC/C=C\C[NH3+] ZINC000669581447 471566548 /nfs/dbraw/zinc/56/65/48/471566548.db2.gz GTNVIIJQAMOQIK-TUYSUELWSA-N 2 0 330.476 2.101 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659454719 471634916 /nfs/dbraw/zinc/63/49/16/471634916.db2.gz NFLLJQITRLKWLX-XVTSOASTSA-N 2 0 330.476 2.167 10 0 EEAERP C[N@H+](CCCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CC1 ZINC000659503878 471660928 /nfs/dbraw/zinc/66/09/28/471660928.db2.gz WGRJHASRFMMIOI-RTBURBONSA-N 2 0 344.503 2.306 10 0 EEAERP Cc1cc(CO)cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000664238119 471690867 /nfs/dbraw/zinc/69/08/67/471690867.db2.gz WKEBQYZXEXXJTJ-SFHVURJKSA-N 2 0 327.428 2.061 10 0 EEAERP [NH3+][C@@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000656466373 471724842 /nfs/dbraw/zinc/72/48/42/471724842.db2.gz DULVDSOBNOPSQB-GXTWGEPZSA-N 2 0 336.237 2.013 10 0 EEAERP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCCO1 ZINC000653875245 471764675 /nfs/dbraw/zinc/76/46/75/471764675.db2.gz SHVBWZKCNCHPMP-IPMKNSEASA-N 2 0 347.503 2.343 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661781691 471882506 /nfs/dbraw/zinc/88/25/06/471882506.db2.gz GUCLEOCYEUBYMX-PMACEKPBSA-N 2 0 347.551 2.137 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000667831522 471921776 /nfs/dbraw/zinc/92/17/76/471921776.db2.gz KPDBUTLISUROLA-AWEZNQCLSA-N 2 0 334.439 2.466 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000660279945 471925632 /nfs/dbraw/zinc/92/56/32/471925632.db2.gz ICJHDFIHKYJJBK-UHFFFAOYSA-N 2 0 344.503 2.026 10 0 EEAERP C1CC2(C1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[C@H]2N1CCOCC1 ZINC000665274635 471987181 /nfs/dbraw/zinc/98/71/81/471987181.db2.gz URVKHJKRYJOMMO-RHQZKXFESA-N 2 0 333.520 2.140 10 0 EEAERP Clc1ccc(C2([NH2+]C[C@H]3CCC4(C[NH2+]C4)O3)CCOCC2)cc1 ZINC000662257100 472046091 /nfs/dbraw/zinc/04/60/91/472046091.db2.gz AHLDICVNTGRAGN-MRXNPFEDSA-N 2 0 336.863 2.456 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)on1 ZINC000662683290 472204090 /nfs/dbraw/zinc/20/40/90/472204090.db2.gz QNQCLCFYJNVQJA-UHFFFAOYSA-N 2 0 342.443 2.047 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000176967977 485504072 /nfs/dbraw/zinc/50/40/72/485504072.db2.gz MEZPAURLDNZGIV-FUHWJXTLSA-N 2 0 327.472 2.003 10 0 EEAERP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658142567 485571966 /nfs/dbraw/zinc/57/19/66/485571966.db2.gz YOXVOSARTLNVGV-CRAIPNDOSA-N 2 0 326.444 2.202 10 0 EEAERP C[C@@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045084 485572227 /nfs/dbraw/zinc/57/22/27/485572227.db2.gz SEFLTIPXYPFOBY-WIYYLYMNSA-N 2 0 345.531 2.333 10 0 EEAERP OC[C@]1(N[C@@H]2CC[NH+]3CCC[C@H]3C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000679043705 485572890 /nfs/dbraw/zinc/57/28/90/485572890.db2.gz JKXLFKGVRLWTIX-HKBOAZHASA-N 2 0 343.515 2.230 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000626954889 485695885 /nfs/dbraw/zinc/69/58/85/485695885.db2.gz MXLVHFWPDXXUSH-ZYSHUDEJSA-N 2 0 348.491 2.304 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184309515 533745265 /nfs/dbraw/zinc/74/52/65/533745265.db2.gz PRKCGYSUSVZNNR-HNNXBMFYSA-N 2 0 326.444 2.398 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCSC3)c2)C1 ZINC000131430811 534426243 /nfs/dbraw/zinc/42/62/43/534426243.db2.gz ZKFMEMILVCMOFX-QZTJIDSGSA-N 2 0 347.528 2.369 10 0 EEAERP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000415904623 528344373 /nfs/dbraw/zinc/34/43/73/528344373.db2.gz GWFRIMXVHZYXIH-QGZVFWFLSA-N 2 0 334.464 2.028 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097908 536597066 /nfs/dbraw/zinc/59/70/66/536597066.db2.gz BRAXGQDUBOUCJF-QGZVFWFLSA-N 3 0 335.492 2.003 10 0 EEAERP C[NH+](C)CCNC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000731943943 577136260 /nfs/dbraw/zinc/13/62/60/577136260.db2.gz PLAXNOVOOQAZTD-AYHJJNSGSA-N 2 0 346.544 2.208 10 0 EEAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCNC2=O)ccc1OC ZINC000775380494 577436228 /nfs/dbraw/zinc/43/62/28/577436228.db2.gz JGMIXWXXYZJMEA-PBHICJAKSA-N 2 0 333.476 2.466 10 0 EEAERP C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000090971334 676814424 /nfs/dbraw/zinc/81/44/24/676814424.db2.gz IRJRLECSXDCXBP-OXQOHEQNSA-N 2 0 329.488 2.486 10 0 EEAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000894597556 682990394 /nfs/dbraw/zinc/99/03/94/682990394.db2.gz MSWBSKDGJZJROB-XHSDSOJGSA-N 2 0 338.398 2.152 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000914410948 683567537 /nfs/dbraw/zinc/56/75/37/683567537.db2.gz CHKYKBRXWPJTTJ-NVXWUHKLSA-N 2 0 335.496 2.104 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCCC1 ZINC000899962848 693939918 /nfs/dbraw/zinc/93/99/18/693939918.db2.gz COCDHRCSMKGNRI-KRWDZBQOSA-N 2 0 343.471 2.044 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000924691726 693170289 /nfs/dbraw/zinc/17/02/89/693170289.db2.gz HEVLPERPJANTMK-MBOZVWFJSA-N 2 0 331.504 2.337 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCCc2ccsc2)C1 ZINC001485526339 1191826376 /nfs/dbraw/zinc/82/63/76/1191826376.db2.gz NDLMKIAGHRGOHL-CVEARBPZSA-N 2 0 349.544 2.459 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCCOC)CC1(C)C ZINC001485570175 1191839590 /nfs/dbraw/zinc/83/95/90/1191839590.db2.gz AUODSLYPNDHCTN-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485747350 1191929911 /nfs/dbraw/zinc/92/99/11/1191929911.db2.gz BAKXYZLJYHCNTH-WBVHZDCISA-N 2 0 345.487 2.043 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)Cc2cccnc2)CC1 ZINC001485767340 1191941655 /nfs/dbraw/zinc/94/16/55/1191941655.db2.gz XXDMRAMDRVRCNM-UHFFFAOYSA-N 2 0 332.492 2.236 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cnoc1C)C1CC1 ZINC001485815159 1191978972 /nfs/dbraw/zinc/97/89/72/1191978972.db2.gz XHRWKTHLWZLSED-ZWKOTPCHSA-N 2 0 348.491 2.184 10 0 EEAERP O=C(NC[C@H]([NH2+]CCCC1CCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001266410104 1176498472 /nfs/dbraw/zinc/49/84/72/1176498472.db2.gz YHBGPBQESRLGSI-MOPGFXCFSA-N 2 0 333.520 2.393 10 0 EEAERP O=C(NC[C@H]([NH2+]CCCCC(F)(F)F)C1CC1)C12CC[NH+](CC1)C2 ZINC001266439724 1176538092 /nfs/dbraw/zinc/53/80/92/1176538092.db2.gz UYIRJGDJSWQREN-AWEZNQCLSA-N 2 0 347.425 2.299 10 0 EEAERP CN(Cc1ccon1)C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266472235 1176601766 /nfs/dbraw/zinc/60/17/66/1176601766.db2.gz GFQXQJCRGIHBMB-MRXNPFEDSA-N 2 0 336.480 2.077 10 0 EEAERP Cc1c(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)C2CC2)ccc2c[nH+]cn21 ZINC001670491289 1176830550 /nfs/dbraw/zinc/83/05/50/1176830550.db2.gz WDYKSHFSPYBMCR-YVEFUNNKSA-N 2 0 332.423 2.489 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001266695511 1177217088 /nfs/dbraw/zinc/21/70/88/1177217088.db2.gz YATFEOHTRVALOK-OTWHNJEPSA-N 2 0 329.488 2.340 10 0 EEAERP CCc1cccc(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001266759867 1177367481 /nfs/dbraw/zinc/36/74/81/1177367481.db2.gz KWPLHTCXCFYDDI-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266872460 1177669984 /nfs/dbraw/zinc/66/99/84/1177669984.db2.gz LAXYJVGLYUJYOV-INIZCTEOSA-N 2 0 327.432 2.262 10 0 EEAERP CN(CC[NH2+]CCCCc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691321897 1177909521 /nfs/dbraw/zinc/90/95/21/1177909521.db2.gz OJZZWTSQXMNOCT-HXUWFJFHSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001266962400 1177916145 /nfs/dbraw/zinc/91/61/45/1177916145.db2.gz ZWFRYXWSJMZUBA-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC1CCOCC1 ZINC001266994372 1178052434 /nfs/dbraw/zinc/05/24/34/1178052434.db2.gz MHBMYAMJNHVZAP-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C[C@@H]1CCOC1)C(C)C ZINC001267340560 1178788268 /nfs/dbraw/zinc/78/82/68/1178788268.db2.gz MHCICGCUHUJYOI-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001267472976 1179104719 /nfs/dbraw/zinc/10/47/19/1179104719.db2.gz DJZBYXYJUUCTGM-UHFFFAOYSA-N 2 0 340.471 2.313 10 0 EEAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1CCOCC1 ZINC001481154820 1179940606 /nfs/dbraw/zinc/94/06/06/1179940606.db2.gz NLCRFHOFMOFDCV-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267670838 1180130623 /nfs/dbraw/zinc/13/06/23/1180130623.db2.gz POAZPQKCHMNHRA-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481216026 1180300904 /nfs/dbraw/zinc/30/09/04/1180300904.db2.gz QVZCBBVCHCWHJQ-HNNXBMFYSA-N 2 0 327.831 2.121 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCc2ccccc2)C1 ZINC001267737738 1180341963 /nfs/dbraw/zinc/34/19/63/1180341963.db2.gz AIAXQGKJCBGNAW-MOPGFXCFSA-N 2 0 329.488 2.294 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCOc2ccccc2)C1 ZINC001267738179 1180344801 /nfs/dbraw/zinc/34/48/01/1180344801.db2.gz RZPALGIKHLWXOC-MJGOQNOKSA-N 2 0 345.487 2.130 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC(CC[NH2+]Cc3cccnc3)CC2)CC1 ZINC001267913717 1180753404 /nfs/dbraw/zinc/75/34/04/1180753404.db2.gz YBGKRNUBKSTJFM-UHFFFAOYSA-N 2 0 344.503 2.142 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCCc1ccccc1 ZINC001268000808 1180950514 /nfs/dbraw/zinc/95/05/14/1180950514.db2.gz POTFOHIHLMMTEQ-HKUYNNGSSA-N 2 0 331.504 2.445 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCOCC)CC1 ZINC001481332731 1181052798 /nfs/dbraw/zinc/05/27/98/1181052798.db2.gz DHIDKLFJVLVVBY-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCc2ccccc21)N(C)C(=O)CC[NH+](C)C ZINC001268082268 1181696014 /nfs/dbraw/zinc/69/60/14/1181696014.db2.gz BCFGPCHMFCMKEQ-SJLPKXTDSA-N 2 0 331.504 2.495 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)c(C)o1 ZINC001268151433 1181840283 /nfs/dbraw/zinc/84/02/83/1181840283.db2.gz PHISJQROXISJHY-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1 ZINC001268152606 1181847145 /nfs/dbraw/zinc/84/71/45/1181847145.db2.gz ZWEYFEBXCSTMOC-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCCOC ZINC001691501978 1182111261 /nfs/dbraw/zinc/11/12/61/1182111261.db2.gz KLWZWRMKJDIQSL-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001481656729 1182145687 /nfs/dbraw/zinc/14/56/87/1182145687.db2.gz YJZLDXVFUIQUMV-AWEZNQCLSA-N 2 0 331.451 2.202 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CCC1 ZINC001268280555 1182147184 /nfs/dbraw/zinc/14/71/84/1182147184.db2.gz SXIZIKWLMWAUCV-OLZOCXBDSA-N 2 0 335.414 2.298 10 0 EEAERP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001481673026 1182186868 /nfs/dbraw/zinc/18/68/68/1182186868.db2.gz PYMBZKDGSLBMTA-FHWLQOOXSA-N 2 0 349.519 2.105 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366081 1182340474 /nfs/dbraw/zinc/34/04/74/1182340474.db2.gz KVTKGIBVOQVRHN-RRFJBIMHSA-N 2 0 344.459 2.152 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001268379107 1182400733 /nfs/dbraw/zinc/40/07/33/1182400733.db2.gz DYIUQKMIUVQKMF-MRXNPFEDSA-N 2 0 345.487 2.308 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268397188 1182474027 /nfs/dbraw/zinc/47/40/27/1182474027.db2.gz VSCSHHSOGZDNMW-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC001481748688 1182527011 /nfs/dbraw/zinc/52/70/11/1182527011.db2.gz JVGZEDMAFAQLFR-IBGZPJMESA-N 2 0 346.519 2.463 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(C)ccc1F ZINC001481813294 1182728988 /nfs/dbraw/zinc/72/89/88/1182728988.db2.gz YDVADGHAWXVDNR-HYVNUMGLSA-N 2 0 335.467 2.459 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481850741 1182800080 /nfs/dbraw/zinc/80/00/80/1182800080.db2.gz OYJVZFMDAZTGCI-MAUKXSAKSA-N 2 0 347.503 2.330 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268491555 1182987943 /nfs/dbraw/zinc/98/79/43/1182987943.db2.gz PYZNUNXXAXGCDZ-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)CC2)c(C)o1 ZINC001482021817 1183146976 /nfs/dbraw/zinc/14/69/76/1183146976.db2.gz CDFLEPPKDOBWCT-WKILWMFISA-N 2 0 348.491 2.150 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]C[C@@H]2CC[C@@H](C)O2)ccc2c[nH+]cn21 ZINC001268557647 1183251976 /nfs/dbraw/zinc/25/19/76/1183251976.db2.gz GAKUKAXYLKZMFB-UIRUKZSUSA-N 2 0 342.443 2.086 10 0 EEAERP COCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482061276 1183271156 /nfs/dbraw/zinc/27/11/56/1183271156.db2.gz AGGYKFUOKDWSLM-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001482137975 1183453849 /nfs/dbraw/zinc/45/38/49/1183453849.db2.gz HOUHLFZGYHLZAD-ZBFHGGJFSA-N 2 0 345.478 2.496 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001268626618 1183545228 /nfs/dbraw/zinc/54/52/28/1183545228.db2.gz QGOHPXFCBUDMCO-XIJMPRAQSA-N 2 0 341.499 2.005 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001268626017 1183550691 /nfs/dbraw/zinc/55/06/91/1183550691.db2.gz LVUGNGOXGAFEJS-XQIBQRJCSA-N 2 0 327.472 2.304 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001268628783 1183552194 /nfs/dbraw/zinc/55/21/94/1183552194.db2.gz PYUBZYBNNDUESH-FPXTWJHWSA-N 2 0 345.487 2.330 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]Cc2ncccc2C)C1 ZINC001268818107 1183736484 /nfs/dbraw/zinc/73/64/84/1183736484.db2.gz QOEAXOMWAUYTDC-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001268902608 1183800242 /nfs/dbraw/zinc/80/02/42/1183800242.db2.gz OEMMXWKIJCDKSE-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](CNC(=O)CCc1cncn1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001269503166 1184325256 /nfs/dbraw/zinc/32/52/56/1184325256.db2.gz PORTXOVGMZTJFW-CQSZACIVSA-N 2 0 349.866 2.086 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001269765831 1184603337 /nfs/dbraw/zinc/60/33/37/1184603337.db2.gz LSLWRKJHZWKIOV-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001269871124 1184683227 /nfs/dbraw/zinc/68/32/27/1184683227.db2.gz OQCLODNBUXDJTD-FVQBIDKESA-N 2 0 336.455 2.480 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001270797962 1185392984 /nfs/dbraw/zinc/39/29/84/1185392984.db2.gz UIPVFRIIJUUHAF-WFASDCNBSA-N 2 0 336.307 2.474 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001482413206 1185648815 /nfs/dbraw/zinc/64/88/15/1185648815.db2.gz MNJDKABGHCXSIT-SJORKVTESA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCCCCF ZINC001482422687 1185667493 /nfs/dbraw/zinc/66/74/93/1185667493.db2.gz KYITXQOOKNZURI-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001482453824 1185862388 /nfs/dbraw/zinc/86/23/88/1185862388.db2.gz CWINORASKZDKJR-HZPDHXFCSA-N 2 0 336.480 2.357 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001271087036 1185869564 /nfs/dbraw/zinc/86/95/64/1185869564.db2.gz VCJKKWAEKDRYEC-CALCHBBNSA-N 2 0 337.508 2.080 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)c(C)o1 ZINC001482461315 1185926567 /nfs/dbraw/zinc/92/65/67/1185926567.db2.gz OCSKTXUPDILLOW-QGZVFWFLSA-N 2 0 348.491 2.248 10 0 EEAERP COc1cc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)ccc1C ZINC001482518107 1186442369 /nfs/dbraw/zinc/44/23/69/1186442369.db2.gz NDYLWARZQZKMIM-MSOLQXFVSA-N 2 0 347.503 2.328 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001482531854 1186529649 /nfs/dbraw/zinc/52/96/49/1186529649.db2.gz BXLLLNWXVOWLPW-SJORKVTESA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@@H]1CCOC1 ZINC001482545352 1186640418 /nfs/dbraw/zinc/64/04/18/1186640418.db2.gz PSXUMGCFYNTUJJ-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP Cc1nccn1CC(=O)N(C)CC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001482649636 1187480396 /nfs/dbraw/zinc/48/03/96/1187480396.db2.gz NHWMVKGYJCBBPS-ZDUSSCGKSA-N 2 0 347.290 2.166 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001482694735 1187661195 /nfs/dbraw/zinc/66/11/95/1187661195.db2.gz QQXCNJBQNZXQCP-MOPGFXCFSA-N 2 0 341.499 2.199 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482934608 1187854757 /nfs/dbraw/zinc/85/47/57/1187854757.db2.gz TYIMLHOTBDUFET-GOSISDBHSA-N 2 0 335.467 2.291 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(CF)cc1 ZINC001483022502 1188011695 /nfs/dbraw/zinc/01/16/95/1188011695.db2.gz KDHAJQJPSVRFCF-WHLIDYPQSA-N 2 0 333.451 2.402 10 0 EEAERP Cc1nc(CNC/C=C/CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001483022896 1188012292 /nfs/dbraw/zinc/01/22/92/1188012292.db2.gz LSMJWTZYOYIHGE-YRLOJYSSSA-N 2 0 348.516 2.230 10 0 EEAERP CC[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C)OC ZINC001670969515 1193535950 /nfs/dbraw/zinc/53/59/50/1193535950.db2.gz RKSQPEPOBMPQHK-SQNIBIBYSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC001483094082 1188462297 /nfs/dbraw/zinc/46/22/97/1188462297.db2.gz XODJKPUZMNYPRA-ZLSGJYCMSA-N 2 0 341.499 2.450 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001409289811 1188602800 /nfs/dbraw/zinc/60/28/00/1188602800.db2.gz STUOAIFJMGUEDX-UHFFFAOYSA-N 2 0 344.912 2.123 10 0 EEAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]C/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001409296227 1188611043 /nfs/dbraw/zinc/61/10/43/1188611043.db2.gz VPKFABDEDCXSMA-GXQLMAKPSA-N 2 0 336.307 2.376 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228012 1189529769 /nfs/dbraw/zinc/52/97/69/1189529769.db2.gz CXZCNVFHKXUXDB-JJRVBVJISA-N 2 0 337.895 2.317 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001409355308 1189565754 /nfs/dbraw/zinc/56/57/54/1189565754.db2.gz HXQQSWKXUNTYJM-HOTGVXAUSA-N 2 0 347.503 2.410 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000905659035 1189829908 /nfs/dbraw/zinc/82/99/08/1189829908.db2.gz ACDCDELHFPZFRE-SJORKVTESA-N 2 0 349.548 2.023 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC001409689582 1190191299 /nfs/dbraw/zinc/19/12/99/1190191299.db2.gz STFNEKMUJNXGAR-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cscn1 ZINC001409761652 1190251157 /nfs/dbraw/zinc/25/11/57/1190251157.db2.gz JUWWKDKMLHGWGC-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483338718 1190369115 /nfs/dbraw/zinc/36/91/15/1190369115.db2.gz IKALBXGTHIUBFK-LPHOPBHVSA-N 2 0 329.488 2.007 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(Cl)c(F)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001483417314 1190464115 /nfs/dbraw/zinc/46/41/15/1190464115.db2.gz JZSKAOYAZGCGFX-OCCSQVGLSA-N 2 0 341.858 2.367 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001483443362 1190482352 /nfs/dbraw/zinc/48/23/52/1190482352.db2.gz RIPDTOHIPMWXGW-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001483474401 1190496111 /nfs/dbraw/zinc/49/61/11/1190496111.db2.gz JTDPEBFKXWKZCY-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP COc1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001483499213 1190513439 /nfs/dbraw/zinc/51/34/39/1190513439.db2.gz HZSXFVJMUZJCRO-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001483498904 1190513566 /nfs/dbraw/zinc/51/35/66/1190513566.db2.gz AHJNZEVLUIIUOR-GXDHUFHOSA-N 2 0 336.307 2.475 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001483570831 1190560386 /nfs/dbraw/zinc/56/03/86/1190560386.db2.gz NQKTURDLIBRPKA-RHSMWYFYSA-N 2 0 332.423 2.489 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483587251 1190573802 /nfs/dbraw/zinc/57/38/02/1190573802.db2.gz BOSANRBBBIOMCU-KDOFPFPSSA-N 2 0 333.451 2.152 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ocnc2C)CCCCC1)[NH+](C)C ZINC001409806073 1190640310 /nfs/dbraw/zinc/64/03/10/1190640310.db2.gz PCLXJKCRRYNZIX-HNNXBMFYSA-N 2 0 336.480 2.232 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncs2)[C@H](CC)C1 ZINC001483626954 1190691618 /nfs/dbraw/zinc/69/16/18/1190691618.db2.gz TZEVLIMSHHQJEW-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001272458095 1190831202 /nfs/dbraw/zinc/83/12/02/1190831202.db2.gz UXHABPAPKYIMFS-NBZFBGEYSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272564175 1190879853 /nfs/dbraw/zinc/87/98/53/1190879853.db2.gz FWMWQJAWNOBITK-HZPDHXFCSA-N 2 0 335.517 2.418 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001272653525 1190964679 /nfs/dbraw/zinc/96/46/79/1190964679.db2.gz QQHDEKSOFZTXNE-QGZVFWFLSA-N 2 0 349.523 2.132 10 0 EEAERP Cc1cccnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001483774813 1191017450 /nfs/dbraw/zinc/01/74/50/1191017450.db2.gz FVGVGWWLCNZTKP-FUHWJXTLSA-N 2 0 342.487 2.145 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001483787661 1191028646 /nfs/dbraw/zinc/02/86/46/1191028646.db2.gz ZCJUAVUGAAAOPZ-UHFFFAOYSA-N 2 0 328.460 2.248 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001483801113 1191043333 /nfs/dbraw/zinc/04/33/33/1191043333.db2.gz GLNMAEACHBWWNE-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CCCC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001483819617 1191048555 /nfs/dbraw/zinc/04/85/55/1191048555.db2.gz WCCGBZMBMXBBCF-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001483899955 1191107169 /nfs/dbraw/zinc/10/71/69/1191107169.db2.gz BVJHPKVDLOPVJY-SJORKVTESA-N 2 0 349.523 2.218 10 0 EEAERP Cc1csc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)n1 ZINC001483914357 1191114632 /nfs/dbraw/zinc/11/46/32/1191114632.db2.gz NNOBMEHGSVIJMZ-GJZGRUSLSA-N 2 0 338.521 2.261 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)CC[NH+](C)C ZINC001483908187 1191120175 /nfs/dbraw/zinc/12/01/75/1191120175.db2.gz IHKCZFZUTBPEDM-ZWKOTPCHSA-N 2 0 347.503 2.376 10 0 EEAERP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001484099334 1191210278 /nfs/dbraw/zinc/21/02/78/1191210278.db2.gz GNPCQYMCTFJGPB-VQIMIIECSA-N 2 0 330.476 2.074 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001484147396 1191235818 /nfs/dbraw/zinc/23/58/18/1191235818.db2.gz UHMDRYNABICXBM-MRXNPFEDSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001484166493 1191254301 /nfs/dbraw/zinc/25/43/01/1191254301.db2.gz HUZOEYLDCDXKLX-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001484468184 1191372910 /nfs/dbraw/zinc/37/29/10/1191372910.db2.gz YVDIUBAKAOZDPP-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC001484470524 1191375199 /nfs/dbraw/zinc/37/51/99/1191375199.db2.gz HNGSTZZGHGKONI-YESZJQIVSA-N 2 0 327.488 2.245 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484525598 1191398849 /nfs/dbraw/zinc/39/88/49/1191398849.db2.gz RNYYYXZZZMBYFF-HKUYNNGSSA-N 2 0 346.519 2.304 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001484546197 1191408056 /nfs/dbraw/zinc/40/80/56/1191408056.db2.gz DZVFFCHVQMWEHN-XWJOTYRJSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1cccc(C[NH+]2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)c1 ZINC001484580707 1191425901 /nfs/dbraw/zinc/42/59/01/1191425901.db2.gz PRZAKKABGFZGNP-UHFFFAOYSA-N 2 0 329.488 2.371 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[NH+](CCCCCF)CC2 ZINC001484581591 1191426174 /nfs/dbraw/zinc/42/61/74/1191426174.db2.gz IJBUHVTVGCFPSA-UHFFFAOYSA-N 2 0 325.472 2.146 10 0 EEAERP CO[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001484729773 1191488333 /nfs/dbraw/zinc/48/83/33/1191488333.db2.gz XBOSZCNJXXFUOR-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001484916066 1191568681 /nfs/dbraw/zinc/56/86/81/1191568681.db2.gz JMMDTGASTLLWHL-OWCLPIDISA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCCF)CCC1 ZINC001485042911 1191623594 /nfs/dbraw/zinc/62/35/94/1191623594.db2.gz FDHVUBIKRGPQSH-IAGOWNOFSA-N 2 0 333.451 2.202 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CCc2ccccc2)C1 ZINC001485069265 1191636919 /nfs/dbraw/zinc/63/69/19/1191636919.db2.gz LJVIILOMURGWGF-AZUAARDMSA-N 2 0 343.515 2.494 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2nsc3ccccc23)C1 ZINC001485101392 1191652391 /nfs/dbraw/zinc/65/23/91/1191652391.db2.gz SKLIFMJKUCTBGO-UHFFFAOYSA-N 2 0 346.500 2.232 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485179786 1191678878 /nfs/dbraw/zinc/67/88/78/1191678878.db2.gz JLWQCRWBDBWVOW-KBPBESRZSA-N 2 0 336.455 2.078 10 0 EEAERP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485229626 1191698921 /nfs/dbraw/zinc/69/89/21/1191698921.db2.gz KKDHXYNGUZOICS-CABCVRRESA-N 2 0 336.455 2.080 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1C ZINC001485318570 1191733083 /nfs/dbraw/zinc/73/30/83/1191733083.db2.gz IUBDNICARAZUIX-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001485464731 1191794520 /nfs/dbraw/zinc/79/45/20/1191794520.db2.gz XOIWSPOGNVDCEI-MSOLQXFVSA-N 2 0 337.508 2.082 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1ocnc1C)NC(=O)C1CC[NH+](C)CC1 ZINC001485468337 1191795989 /nfs/dbraw/zinc/79/59/89/1191795989.db2.gz KTGKRQZMVUEBPP-INIZCTEOSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C2)CC[N@@H+]1C ZINC001486241598 1193767749 /nfs/dbraw/zinc/76/77/49/1193767749.db2.gz XTDOFCBNGQJEMW-TUNKGPMQSA-N 2 0 327.900 2.296 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC001486389951 1193909174 /nfs/dbraw/zinc/90/91/74/1193909174.db2.gz FHVDSUJLLVXHRH-KBPBESRZSA-N 2 0 331.451 2.246 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2cccnc2C)CC1 ZINC001486450050 1193964305 /nfs/dbraw/zinc/96/43/05/1193964305.db2.gz ZMUQQRHEBRMOTP-KRWDZBQOSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691665980 1194302826 /nfs/dbraw/zinc/30/28/26/1194302826.db2.gz OQCYOQXPZPTEJW-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccccc1OCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001273056313 1194359298 /nfs/dbraw/zinc/35/92/98/1194359298.db2.gz SHWSSXCRCQCBIU-KRWDZBQOSA-N 2 0 345.487 2.097 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001273123248 1194406603 /nfs/dbraw/zinc/40/66/03/1194406603.db2.gz PPQWBXZBWJIKGN-WFASDCNBSA-N 2 0 338.521 2.086 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001410221435 1197613820 /nfs/dbraw/zinc/61/38/20/1197613820.db2.gz SDAZKZPUIJXRFB-KLHDSHLOSA-N 2 0 345.478 2.492 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410377432 1197771200 /nfs/dbraw/zinc/77/12/00/1197771200.db2.gz FXBKEKAVFFWTKB-MAUKXSAKSA-N 2 0 332.492 2.199 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001273260367 1197840904 /nfs/dbraw/zinc/84/09/04/1197840904.db2.gz IHVJQFZEFVGDME-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000872154819 1198062867 /nfs/dbraw/zinc/06/28/67/1198062867.db2.gz BQCSAYDUPVPDPU-UHFFFAOYSA-N 2 0 335.448 2.237 10 0 EEAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)C1CCCC1 ZINC000872158260 1198063946 /nfs/dbraw/zinc/06/39/46/1198063946.db2.gz UMIZQLDGFURFKI-IJXRJRJASA-N 2 0 335.536 2.469 10 0 EEAERP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000865660923 1198320345 /nfs/dbraw/zinc/32/03/45/1198320345.db2.gz ZTYCGZCFFHZKRF-RLLQIKCJSA-N 2 0 345.531 2.474 10 0 EEAERP Cc1ccc(-c2noc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)n2)cc1 ZINC000866012272 1198454185 /nfs/dbraw/zinc/45/41/85/1198454185.db2.gz WGJCLVYTAIUEFK-IAGOWNOFSA-N 2 0 343.475 2.221 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(Cl)s2)C[C@@H]1C ZINC001410845501 1198495732 /nfs/dbraw/zinc/49/57/32/1198495732.db2.gz IEYDIEMUKUAYEG-RYUDHWBXSA-N 2 0 344.912 2.216 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)nsc2C)C[C@H]1C ZINC001410857133 1198508653 /nfs/dbraw/zinc/50/86/53/1198508653.db2.gz DEAKEQHNVGDUBY-IUODEOHRSA-N 2 0 338.521 2.181 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@]2(NC(=O)CCCn3ccnc3)CCC[C@@H]12)OC ZINC001410893372 1198548278 /nfs/dbraw/zinc/54/82/78/1198548278.db2.gz FFQRVKHUIWPPIG-ZHALLVOQSA-N 2 0 348.491 2.202 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001410981288 1198657795 /nfs/dbraw/zinc/65/77/95/1198657795.db2.gz NWSUUUXOUSJDER-CABCVRRESA-N 2 0 325.472 2.190 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001411252217 1198976674 /nfs/dbraw/zinc/97/66/74/1198976674.db2.gz QMDMWJFKLBURGY-HOTGVXAUSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@@H+]1CCCC12CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC2 ZINC000810868926 1199798360 /nfs/dbraw/zinc/79/83/60/1199798360.db2.gz YTBTVULKDHQNEO-GOSISDBHSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc(C(F)F)oc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016692 1200408726 /nfs/dbraw/zinc/40/87/26/1200408726.db2.gz UTMJETPCTIAJCL-CHWSQXEVSA-N 2 0 343.418 2.337 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1C[NH+](C)C ZINC000870023996 1200412706 /nfs/dbraw/zinc/41/27/06/1200412706.db2.gz FZCWWKXIRCJJMF-HZPDHXFCSA-N 2 0 349.544 2.438 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@H]1C[NH+](C)C ZINC000870024026 1200412923 /nfs/dbraw/zinc/41/29/23/1200412923.db2.gz HIWFKNCMZRDERJ-HUUCEWRRSA-N 2 0 349.544 2.438 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc2[nH]ccc21 ZINC000878589356 1200559234 /nfs/dbraw/zinc/55/92/34/1200559234.db2.gz KKKRCNJUDJWFHA-OAHLLOKOSA-N 2 0 343.475 2.051 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)ccn2)CC1 ZINC000866235366 1201472719 /nfs/dbraw/zinc/47/27/19/1201472719.db2.gz BSHUPQFZBXOIOU-AZUAARDMSA-N 2 0 344.503 2.271 10 0 EEAERP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703276 1201584104 /nfs/dbraw/zinc/58/41/04/1201584104.db2.gz HVUOTNJQXJBSHL-KSSFIOAISA-N 2 0 337.533 2.492 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1 ZINC001274006284 1204309009 /nfs/dbraw/zinc/30/90/09/1204309009.db2.gz FYELSRLKTAGEIX-UHFFFAOYSA-N 2 0 327.513 2.019 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCCc2cccc(F)c2)CC1 ZINC001274330732 1204998786 /nfs/dbraw/zinc/99/87/86/1204998786.db2.gz GGQTZSRYUXIJEL-NSCUHMNNSA-N 2 0 347.478 2.362 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CC[C@@H]2CCCO2)C1)CC(C)(C)C ZINC001275284937 1205298639 /nfs/dbraw/zinc/29/86/39/1205298639.db2.gz VYBNNHUNOASWLN-JCYILVPMSA-N 2 0 339.524 2.018 10 0 EEAERP COCCC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001275609486 1205442496 /nfs/dbraw/zinc/44/24/96/1205442496.db2.gz UXCWMZMZZCUGKO-UHFFFAOYSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001276000916 1205628129 /nfs/dbraw/zinc/62/81/29/1205628129.db2.gz CEKMHDSTTCKRFP-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001412149569 1205655913 /nfs/dbraw/zinc/65/59/13/1205655913.db2.gz OEQWURWNVNSVJQ-MRXNPFEDSA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000924569768 1205997263 /nfs/dbraw/zinc/99/72/63/1205997263.db2.gz JJUDYADCGKLJOP-LEWJYISDSA-N 2 0 345.531 2.455 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCOC34CCCCC4)ccn2)CC1 ZINC000924690659 1206018960 /nfs/dbraw/zinc/01/89/60/1206018960.db2.gz SPZCCZLLIZTMOP-GOSISDBHSA-N 2 0 344.503 2.415 10 0 EEAERP CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(OC)n1 ZINC000925020432 1206061788 /nfs/dbraw/zinc/06/17/88/1206061788.db2.gz PWUXRMKTJGDNOI-INIZCTEOSA-N 2 0 348.491 2.074 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)(C)CO ZINC000925438005 1206111761 /nfs/dbraw/zinc/11/17/61/1206111761.db2.gz IIRPCYGSQKDZPW-INIZCTEOSA-N 2 0 347.503 2.009 10 0 EEAERP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)CC1 ZINC000925474576 1206116900 /nfs/dbraw/zinc/11/69/00/1206116900.db2.gz CRGPFGBKTNSDSK-ZCNNSNEGSA-N 3 0 344.547 2.471 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)cn2)CCO1 ZINC000925552365 1206127113 /nfs/dbraw/zinc/12/71/13/1206127113.db2.gz IZFDZZYNSZVVRO-OIISXLGYSA-N 2 0 332.492 2.302 10 0 EEAERP C[NH+](C)CCOc1cc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccn1 ZINC000925629032 1206137283 /nfs/dbraw/zinc/13/72/83/1206137283.db2.gz KATCLNCGLXFHHJ-RTBURBONSA-N 2 0 346.519 2.280 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)ccn1 ZINC000925651854 1206140362 /nfs/dbraw/zinc/14/03/62/1206140362.db2.gz BBPWOHMQJNUIGZ-ROUUACIJSA-N 2 0 332.492 2.129 10 0 EEAERP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n(C)c1C ZINC000925769352 1206152708 /nfs/dbraw/zinc/15/27/08/1206152708.db2.gz PCUDNNNBCSDXNP-QZTJIDSGSA-N 2 0 333.476 2.378 10 0 EEAERP C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792773 1206154495 /nfs/dbraw/zinc/15/44/95/1206154495.db2.gz HAGXXZBLWOHGRR-GDBMZVCRSA-N 2 0 332.444 2.267 10 0 EEAERP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851420 1206160383 /nfs/dbraw/zinc/16/03/83/1206160383.db2.gz FABMEOWMFXDSTA-RHSMWYFYSA-N 2 0 332.444 2.421 10 0 EEAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2c(c1)CCO2 ZINC000925853625 1206161242 /nfs/dbraw/zinc/16/12/42/1206161242.db2.gz JNRUCPGTEDWWFW-IAGOWNOFSA-N 2 0 344.455 2.348 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925903144 1206165854 /nfs/dbraw/zinc/16/58/54/1206165854.db2.gz CMINUXUGXZULBS-WMZOPIPTSA-N 2 0 347.507 2.058 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925911290 1206167106 /nfs/dbraw/zinc/16/71/06/1206167106.db2.gz DZJWMFXQLHLJQX-KRWDZBQOSA-N 2 0 335.496 2.058 10 0 EEAERP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926144981 1206198564 /nfs/dbraw/zinc/19/85/64/1206198564.db2.gz AHLJUFSRFZDSNZ-SJORKVTESA-N 2 0 346.500 2.034 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930170384 1206538940 /nfs/dbraw/zinc/53/89/40/1206538940.db2.gz ZZXYWNKTQFGTHZ-IHPCNDPISA-N 2 0 345.487 2.424 10 0 EEAERP CN(CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000930310836 1206548620 /nfs/dbraw/zinc/54/86/20/1206548620.db2.gz QPFRCFJYTKPXEX-QGZVFWFLSA-N 2 0 331.460 2.325 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3Sc4ccccc4NC3=O)C[C@]2(C)C1 ZINC000933734847 1207829265 /nfs/dbraw/zinc/82/92/65/1207829265.db2.gz XMGWBTYTLXMFLC-QBIMZIAESA-N 2 0 331.485 2.373 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001490840222 1208453640 /nfs/dbraw/zinc/45/36/40/1208453640.db2.gz IUBXKTXTWVJVEI-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000900414160 1234331389 /nfs/dbraw/zinc/33/13/89/1234331389.db2.gz FTQOXMKZZVYQPR-UYAOXDASSA-N 2 0 345.487 2.456 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC2([NH+](C)C)CCCC2)cc(Cl)n1 ZINC000827032773 1249488353 /nfs/dbraw/zinc/48/83/53/1249488353.db2.gz NUCXZLOADIJPBK-CQSZACIVSA-N 2 0 338.883 2.424 10 0 EEAERP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1COc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000902740634 1238365259 /nfs/dbraw/zinc/36/52/59/1238365259.db2.gz YLMMWFVONVXAOY-RLLQIKCJSA-N 2 0 345.531 2.488 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)C1 ZINC000903048909 1239616162 /nfs/dbraw/zinc/61/61/62/1239616162.db2.gz YEIMBWUPYKJGFN-XHCJJCCMSA-N 2 0 342.483 2.156 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(Cl)cc1OC)C2 ZINC000903492908 1240658435 /nfs/dbraw/zinc/65/84/35/1240658435.db2.gz LFKNYJMKQUZLDX-QEORTHHSSA-N 2 0 338.835 2.061 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(OC)cc1Cl)C2 ZINC000903492932 1240658970 /nfs/dbraw/zinc/65/89/70/1240658970.db2.gz LUOJURWRAQICBE-AHIWAGSCSA-N 2 0 338.835 2.061 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001491051272 1258613861 /nfs/dbraw/zinc/61/38/61/1258613861.db2.gz WKBFMXTVPWDISR-IIYDPXPESA-N 2 0 337.414 2.141 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001491051271 1258613939 /nfs/dbraw/zinc/61/39/39/1258613939.db2.gz WKBFMXTVPWDISR-AHIWAGSCSA-N 2 0 337.414 2.141 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491191224 1258756900 /nfs/dbraw/zinc/75/69/00/1258756900.db2.gz QTDVLZYAKVFPAG-KRWDZBQOSA-N 2 0 332.492 2.058 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001491225642 1258809920 /nfs/dbraw/zinc/80/99/20/1258809920.db2.gz HIPWLIDCDKUHRG-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001491231294 1258833696 /nfs/dbraw/zinc/83/36/96/1258833696.db2.gz YQSMYCKBDWVTRF-KRWDZBQOSA-N 2 0 337.508 2.034 10 0 EEAERP COCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001491356827 1258991380 /nfs/dbraw/zinc/99/13/80/1258991380.db2.gz UKZMQGAESOPLES-DAWZGUTISA-N 2 0 339.524 2.160 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001491454452 1259098606 /nfs/dbraw/zinc/09/86/06/1259098606.db2.gz JLOGBPJNKPLEPN-MAUKXSAKSA-N 2 0 333.476 2.162 10 0 EEAERP C[C@H](CNC(=O)CCc1c[nH]cn1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001491478071 1259128197 /nfs/dbraw/zinc/12/81/97/1259128197.db2.gz YCURIUCMZSGVTJ-MNOVXSKESA-N 2 0 333.263 2.021 10 0 EEAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001491486772 1259136835 /nfs/dbraw/zinc/13/68/35/1259136835.db2.gz OVUFVHDYSZAFNA-NEPJUHHUSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001491487109 1259137747 /nfs/dbraw/zinc/13/77/47/1259137747.db2.gz UUCBCNCXGWJKIQ-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001273465841 1278557495 /nfs/dbraw/zinc/55/74/95/1278557495.db2.gz MMCAQSDQFQXJQM-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1)CC(C)(C)C ZINC001266712917 1276587169 /nfs/dbraw/zinc/58/71/69/1276587169.db2.gz JMQOXXGTMOGSOX-ZACQAIPSSA-N 2 0 339.524 2.018 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)C1 ZINC000850507318 1277253381 /nfs/dbraw/zinc/25/33/81/1277253381.db2.gz FHVPCPSQRZMWKC-LJQANCHMSA-N 2 0 346.471 2.029 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCO1 ZINC001273317054 1277968827 /nfs/dbraw/zinc/96/88/27/1277968827.db2.gz YMYUKOPNXKUJSW-IBGZPJMESA-N 2 0 347.503 2.021 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC3CCC3)C2)CC1 ZINC001489083295 1290364764 /nfs/dbraw/zinc/36/47/64/1290364764.db2.gz CLLHCQBHEKYJBD-VJANTYMQSA-N 2 0 345.531 2.297 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccc(F)c1F ZINC001490318182 1291204414 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ZINC001320891455 1332973084 /nfs/dbraw/zinc/97/30/84/1332973084.db2.gz JHBIVEBQOODZFJ-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc(F)c1 ZINC001321064748 1333009363 /nfs/dbraw/zinc/00/93/63/1333009363.db2.gz OPVVCLLWOCHTFF-HMSPERNYSA-N 2 0 345.462 2.491 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cnccc1C ZINC001321083462 1333014662 /nfs/dbraw/zinc/01/46/62/1333014662.db2.gz KCOPBYONPMSTLU-PYTPGESOSA-N 2 0 330.476 2.026 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001321248617 1333054704 /nfs/dbraw/zinc/05/47/04/1333054704.db2.gz CFQUYIGMRLFKKA-CHYADLBTSA-N 2 0 329.488 2.353 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCc1ccccc1Cl)C12CC[NH+](CC1)C2 ZINC001321335585 1333077238 /nfs/dbraw/zinc/07/72/38/1333077238.db2.gz IBJAMBRAUHGYOJ-ONEGZZNKSA-N 2 0 347.890 2.240 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCc1ccccc1Cl)C12CC[NH+](CC1)C2 ZINC001321335581 1333077262 /nfs/dbraw/zinc/07/72/62/1333077262.db2.gz IBJAMBRAUHGYOJ-ARJAWSKDSA-N 2 0 347.890 2.240 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1F ZINC001321532776 1333119780 /nfs/dbraw/zinc/11/97/80/1333119780.db2.gz PCUJTUZIKDYTIG-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001322567575 1333284676 /nfs/dbraw/zinc/28/46/76/1333284676.db2.gz ZLVVCBJZVQGASF-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)C12CCC[NH+](CCC1)C2 ZINC001322566455 1333284875 /nfs/dbraw/zinc/28/48/75/1333284875.db2.gz OXINMVGEIXPFIM-UHFFFAOYSA-N 2 0 335.414 2.253 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001322792963 1333327888 /nfs/dbraw/zinc/32/78/88/1333327888.db2.gz OPIVRPBNODKAMM-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001322797784 1333328888 /nfs/dbraw/zinc/32/88/88/1333328888.db2.gz ZOBULNVYPYKQKQ-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001323872916 1333563660 /nfs/dbraw/zinc/56/36/60/1333563660.db2.gz MIKXMWBMLUBFDC-GNAXCBTBSA-N 2 0 331.504 2.363 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324749790 1333751940 /nfs/dbraw/zinc/75/19/40/1333751940.db2.gz BUOPBHXJFDQEGM-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324833124 1333769425 /nfs/dbraw/zinc/76/94/25/1333769425.db2.gz LKVKFKHXBNQUIR-JZLODUJNSA-N 2 0 327.900 2.443 10 0 EEAERP COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001326566383 1334116597 /nfs/dbraw/zinc/11/65/97/1334116597.db2.gz KDRAXAGTYQNZNB-VPLLLXJESA-N 2 0 339.524 2.160 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327542251 1334311976 /nfs/dbraw/zinc/31/19/76/1334311976.db2.gz UDYOJFPRWKIDBR-IEBWSBKVSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NC1(C[NH2+]CCF)CCCCC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329829192 1334723416 /nfs/dbraw/zinc/72/34/16/1334723416.db2.gz LYRGGJHRXXFUSD-UHFFFAOYSA-N 2 0 345.422 2.259 10 0 EEAERP CO[C@H](C)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330263040 1334814851 /nfs/dbraw/zinc/81/48/51/1334814851.db2.gz NYPFGVGSVKSBTR-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccns2)C1)n1ccnc1 ZINC001330662279 1334883954 /nfs/dbraw/zinc/88/39/54/1334883954.db2.gz LZNXIWCJPMYYFZ-RBSFLKMASA-N 2 0 347.488 2.018 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001330843403 1334913837 /nfs/dbraw/zinc/91/38/37/1334913837.db2.gz RBNHHUKNBGNJRU-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nccn1CC(=O)N(C)[C@@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001331355384 1335001715 /nfs/dbraw/zinc/00/17/15/1335001715.db2.gz PNWOUQZITFQESE-KRWDZBQOSA-N 2 0 346.500 2.322 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCOC(C)C ZINC001479268681 1337321395 /nfs/dbraw/zinc/32/13/95/1337321395.db2.gz ALUPKTIHMXOLET-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1oncc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001666211920 1355485589 /nfs/dbraw/zinc/48/55/89/1355485589.db2.gz VUWWIPYVNSTLFY-RDTXWAMCSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001433694628 1341661552 /nfs/dbraw/zinc/66/15/52/1341661552.db2.gz NJAFHZMDYNZCBS-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001434355249 1341830989 /nfs/dbraw/zinc/83/09/89/1341830989.db2.gz LBGHMYZUQKZLJC-IEBWSBKVSA-N 2 0 344.503 2.094 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCCOC)C2)C1 ZINC001500251457 1342111944 /nfs/dbraw/zinc/11/19/44/1342111944.db2.gz PTYBFZFJDQELSG-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)C[NH+]1CCC(C)CC1 ZINC001568786353 1342856077 /nfs/dbraw/zinc/85/60/77/1342856077.db2.gz XFACDSPIADHNLO-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP COCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001569442736 1342870789 /nfs/dbraw/zinc/87/07/89/1342870789.db2.gz GYYIIRZXBXHPBP-AYHJJNSGSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001570022555 1343001769 /nfs/dbraw/zinc/00/17/69/1343001769.db2.gz WMLAOQLPECWQQZ-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H]1CC[C@@H](C[N@H+](C)C2CCN(C(=O)CCCC[NH+](C)C)CC2)O1 ZINC001676079350 1357101572 /nfs/dbraw/zinc/10/15/72/1357101572.db2.gz NQVQAEOFPVRPJF-WMZOPIPTSA-N 2 0 339.524 2.209 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001571544445 1343233560 /nfs/dbraw/zinc/23/35/60/1343233560.db2.gz NYFJZULMWSZBKG-LGYZJQKYSA-N 2 0 327.900 2.345 10 0 EEAERP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CCCCCF)C1 ZINC001677410717 1357329126 /nfs/dbraw/zinc/32/91/26/1357329126.db2.gz HGGGULSMBSQYHP-UHFFFAOYSA-N 2 0 325.472 2.334 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CCC(F)(F)F)CC2)CCC1 ZINC001677570523 1357358367 /nfs/dbraw/zinc/35/83/67/1357358367.db2.gz JONDGBACAZWKDZ-UHFFFAOYSA-N 2 0 333.398 2.171 10 0 EEAERP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3COC4(CCC4)C3)c2)CC1 ZINC001647275085 1353215292 /nfs/dbraw/zinc/21/52/92/1353215292.db2.gz KKLNELZPYHTKES-LJQANCHMSA-N 2 0 329.488 2.235 10 0 EEAERP Oc1ccc(C2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001647411847 1353268000 /nfs/dbraw/zinc/26/80/00/1353268000.db2.gz GPUKDJQIGMYRED-QGZVFWFLSA-N 2 0 341.459 2.288 10 0 EEAERP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)CC2)cc1 ZINC001650042706 1353697817 /nfs/dbraw/zinc/69/78/17/1353697817.db2.gz VTHZROATSSTIFS-PKOBYXMFSA-N 2 0 344.503 2.305 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001656237744 1354217863 /nfs/dbraw/zinc/21/78/63/1354217863.db2.gz MHHPXNXSZLDBSS-UAPYVXQJSA-N 2 0 347.478 2.339 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cn1 ZINC001660139935 1354403344 /nfs/dbraw/zinc/40/33/44/1354403344.db2.gz VUKPFWAGHRFPLE-KRWDZBQOSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1ccccc1OCC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001660290244 1354432132 /nfs/dbraw/zinc/43/21/32/1354432132.db2.gz ARGLNODZRPPANW-UHFFFAOYSA-N 2 0 347.503 2.154 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](CCCCCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001661003804 1354571971 /nfs/dbraw/zinc/57/19/71/1354571971.db2.gz GVRCUHIXSDWVLF-HNNXBMFYSA-N 2 0 345.422 2.211 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCOCC)CC1 ZINC001661097019 1354590312 /nfs/dbraw/zinc/59/03/12/1354590312.db2.gz ICMQDGUQRIWJGH-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001661833275 1354705900 /nfs/dbraw/zinc/70/59/00/1354705900.db2.gz ZBLIPLKXFJCBFV-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001662545586 1354805045 /nfs/dbraw/zinc/80/50/45/1354805045.db2.gz XCGWNZGYMBFLFK-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3)C2)CCC1 ZINC001662642035 1354818066 /nfs/dbraw/zinc/81/80/66/1354818066.db2.gz YFMHPBWGSITCNU-GOSISDBHSA-N 2 0 329.488 2.152 10 0 EEAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001662772418 1354842725 /nfs/dbraw/zinc/84/27/25/1354842725.db2.gz GPZQZYQMFBLTJJ-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931516 1355056309 /nfs/dbraw/zinc/05/63/09/1355056309.db2.gz LJPIOYUZAJMYCN-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP COCc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001664264685 1355125232 /nfs/dbraw/zinc/12/52/32/1355125232.db2.gz YSIAFTWUMVDIJV-UHFFFAOYSA-N 2 0 347.503 2.113 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCOCC)C2)C1 ZINC001665013109 1355264488 /nfs/dbraw/zinc/26/44/88/1355264488.db2.gz IVHAJPCOJNRRTL-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001666110281 1355454074 /nfs/dbraw/zinc/45/40/74/1355454074.db2.gz GEDSWOIEUFJSHI-HKUYNNGSSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001666417656 1355525316 /nfs/dbraw/zinc/52/53/16/1355525316.db2.gz ITMGRUSKYDBWNH-KBAYOESNSA-N 2 0 347.478 2.289 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001666991434 1355628405 /nfs/dbraw/zinc/62/84/05/1355628405.db2.gz CHPJUTPQONPPBS-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667053666 1355639446 /nfs/dbraw/zinc/63/94/46/1355639446.db2.gz HQTTVKKNAFFNTK-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP CCCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001667203860 1355673090 /nfs/dbraw/zinc/67/30/90/1355673090.db2.gz MIYGXYKNGVADKA-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001668107826 1355872939 /nfs/dbraw/zinc/87/29/39/1355872939.db2.gz WVYKBRVDCXPNSA-CMPLNLGQSA-N 2 0 332.901 2.121 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]Cc2cscn2)ccc2c[nH+]cn21 ZINC001668117184 1355875926 /nfs/dbraw/zinc/87/59/26/1355875926.db2.gz FKCHKXRFWZEZTH-LBPRGKRZSA-N 2 0 343.456 2.397 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001668324756 1355923503 /nfs/dbraw/zinc/92/35/03/1355923503.db2.gz DPGYSHKVBHRSPE-LPHOPBHVSA-N 2 0 347.503 2.038 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C\Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865551 1356028819 /nfs/dbraw/zinc/02/88/19/1356028819.db2.gz ZVFABVNPJLFELH-QBPYGWFSSA-N 2 0 325.884 2.408 10 0 EEAERP C[N@H+](CC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21)C1CCC1 ZINC001668865538 1356028870 /nfs/dbraw/zinc/02/88/70/1356028870.db2.gz ZMUDOHYUQVIZDC-PXPVJAHISA-N 2 0 327.472 2.420 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)C1 ZINC001669140430 1356105625 /nfs/dbraw/zinc/10/56/25/1356105625.db2.gz ZHCZBKNWFWNTTL-LSMGEYOZSA-N 2 0 335.414 2.321 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001669207396 1356126107 /nfs/dbraw/zinc/12/61/07/1356126107.db2.gz MVEDLVUZZHCJJK-MJSXRHKHSA-N 2 0 336.505 2.026 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669559451 1356174951 /nfs/dbraw/zinc/17/49/51/1356174951.db2.gz OXMJZLGULDGIDM-PXNSSMCTSA-N 2 0 343.515 2.364 10 0 EEAERP CN(CCC[NH2+]CCCCC(F)(F)F)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670095855 1356275008 /nfs/dbraw/zinc/27/50/08/1356275008.db2.gz YVZSLBNJEWAJRR-HNNXBMFYSA-N 2 0 349.441 2.499 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCCC(F)(F)F)C1 ZINC001671626031 1356376367 /nfs/dbraw/zinc/37/63/67/1356376367.db2.gz URUQQQGNTCONCR-ZFWWWQNUSA-N 2 0 335.414 2.394 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001671805032 1356418256 /nfs/dbraw/zinc/41/82/56/1356418256.db2.gz KUWLFDXNVDXRHO-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCOCC1 ZINC001671958031 1356444227 /nfs/dbraw/zinc/44/42/27/1356444227.db2.gz ZPCMYYFLKBZLPH-QGZVFWFLSA-N 2 0 337.508 2.082 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001672531597 1356547445 /nfs/dbraw/zinc/54/74/45/1356547445.db2.gz XFMVLYPUNQINJC-KZNAEPCWSA-N 2 0 339.524 2.209 10 0 EEAERP COCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001672938820 1356619420 /nfs/dbraw/zinc/61/94/20/1356619420.db2.gz XGJBMJDBCPRHTC-HNNXBMFYSA-N 2 0 333.476 2.084 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001673300168 1356663724 /nfs/dbraw/zinc/66/37/24/1356663724.db2.gz XXYXRVBOYQGJSH-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCCCF ZINC001698898239 1405138024 /nfs/dbraw/zinc/13/80/24/1405138024.db2.gz MTLQQVYDXZZAKP-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699101426 1405254484 /nfs/dbraw/zinc/25/44/84/1405254484.db2.gz WNKNBKHFCYDGPM-QAPCUYQASA-N 2 0 332.492 2.247 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001699262741 1405305681 /nfs/dbraw/zinc/30/56/81/1405305681.db2.gz UZXAVARTAJTZRA-XQQSMPNESA-N 2 0 341.499 2.407 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699550714 1405387158 /nfs/dbraw/zinc/38/71/58/1405387158.db2.gz INRJWNDHWNVIEQ-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)oc1C ZINC001699551303 1405388645 /nfs/dbraw/zinc/38/86/45/1405388645.db2.gz OBPWZZONSZQBJJ-UHFFFAOYSA-N 2 0 336.480 2.106 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001699552218 1405390178 /nfs/dbraw/zinc/39/01/78/1405390178.db2.gz XFPLLHGBFWBCOG-IRXDYDNUSA-N 2 0 332.492 2.201 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895495601 782400812 /nfs/dbraw/zinc/40/08/12/782400812.db2.gz UTOKCJWZTYRSIZ-FQEVSTJZSA-N 2 0 327.472 2.385 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000918542767 769189555 /nfs/dbraw/zinc/18/95/55/769189555.db2.gz ZXTBCHKCULFLER-KRWDZBQOSA-N 2 0 345.491 2.044 10 0 EEAERP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806417 777304808 /nfs/dbraw/zinc/30/48/08/777304808.db2.gz POVXAIIAGDIBEC-UONOGXRCSA-N 2 0 345.553 2.123 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnn3C3CCC3)cn2)CC1 ZINC000921520863 788802899 /nfs/dbraw/zinc/80/28/99/788802899.db2.gz HWJPBGRWOAZYRA-UHFFFAOYSA-N 2 0 340.475 2.045 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@H](C)C2)cc1C ZINC000923324379 789383653 /nfs/dbraw/zinc/38/36/53/789383653.db2.gz GJWPPYTVWVNVPK-IEBWSBKVSA-N 2 0 329.488 2.192 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000923412491 789519747 /nfs/dbraw/zinc/51/97/47/789519747.db2.gz YBJWKOJOAHKIFM-IJLUTSLNSA-N 2 0 333.259 2.260 10 0 EEAERP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923497429 789672027 /nfs/dbraw/zinc/67/20/27/789672027.db2.gz LOYFYJQAQZQXSU-LPHOPBHVSA-N 2 0 347.503 2.145 10 0 EEAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000913634355 794004275 /nfs/dbraw/zinc/00/42/75/794004275.db2.gz MQDLGAKZIOYURV-INIZCTEOSA-N 2 0 349.425 2.108 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913823273 794347016 /nfs/dbraw/zinc/34/70/16/794347016.db2.gz ATITXZSQTGQVMI-NJAFHUGGSA-N 2 0 330.476 2.215 10 0 EEAERP O[C@H](C[NH2+]CCc1sccc1Br)C[NH+]1CCCC1 ZINC000713068462 794552511 /nfs/dbraw/zinc/55/25/11/794552511.db2.gz MYEGERITCJVDGT-LLVKDONJSA-N 2 0 333.295 2.099 10 0 EEAERP CS[C@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000921940325 798247641 /nfs/dbraw/zinc/24/76/41/798247641.db2.gz QWFJPWLGXUUMHT-PMPSAXMXSA-N 2 0 329.554 2.343 10 0 EEAERP CN(C)CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000922631277 801547667 /nfs/dbraw/zinc/54/76/67/801547667.db2.gz UTZSLLNRKJIPDH-QZTJIDSGSA-N 2 0 333.476 2.392 10 0 EEAERP COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1(F)F ZINC000787777591 807231964 /nfs/dbraw/zinc/23/19/64/807231964.db2.gz RXWHOBSGNSZXKU-NEBZKDRISA-N 2 0 330.419 2.283 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]CCF)CC1 ZINC001565940898 1125467554 /nfs/dbraw/zinc/46/75/54/1125467554.db2.gz FQLBDAZDGMCLCD-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cncc(C)c1 ZINC001566555459 1125728084 /nfs/dbraw/zinc/72/80/84/1125728084.db2.gz VWOIVVKCEFEFDB-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001436473220 1087937335 /nfs/dbraw/zinc/93/73/35/1087937335.db2.gz UNJLNAVBZNDEEM-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436499509 1088020409 /nfs/dbraw/zinc/02/04/09/1088020409.db2.gz NKZMPPXOHZOODI-HOTGVXAUSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436666208 1088101027 /nfs/dbraw/zinc/10/10/27/1088101027.db2.gz LHMKLGZQYCNQMG-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)C1 ZINC001436832000 1088447403 /nfs/dbraw/zinc/44/74/03/1088447403.db2.gz YOOJZGDXXKEHLH-MJGOQNOKSA-N 2 0 347.478 2.482 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001436951471 1088636796 /nfs/dbraw/zinc/63/67/96/1088636796.db2.gz KQJMFGCMRRCINM-GASCZTMLSA-N 2 0 348.491 2.373 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001436974814 1088666943 /nfs/dbraw/zinc/66/69/43/1088666943.db2.gz BKXFDNIMRKQSMK-HDICACEKSA-N 2 0 345.487 2.308 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001437060951 1088966364 /nfs/dbraw/zinc/96/63/64/1088966364.db2.gz CUTRAKLSECCSEW-GOEBONIOSA-N 2 0 348.491 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001437354483 1089577220 /nfs/dbraw/zinc/57/72/20/1089577220.db2.gz UBWNHAIUJBQICT-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001437380211 1089627564 /nfs/dbraw/zinc/62/75/64/1089627564.db2.gz FRSMZALCIYCZKA-HIFRSBDPSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)C23CCC[NH+]2CCC3)s1 ZINC001437392468 1089642934 /nfs/dbraw/zinc/64/29/34/1089642934.db2.gz OXZCBTQCQUTLJS-CYBMUJFWSA-N 2 0 336.505 2.064 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCOC(C)C)C1 ZINC001437986711 1090580451 /nfs/dbraw/zinc/58/04/51/1090580451.db2.gz HPXPKUJMHYAFKM-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1cc(C[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCC3)C2)cs1 ZINC001438133011 1090657570 /nfs/dbraw/zinc/65/75/70/1090657570.db2.gz LUZJKBYWMZPFRT-UHFFFAOYSA-N 2 0 335.517 2.479 10 0 EEAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)ns1 ZINC001438310219 1090787627 /nfs/dbraw/zinc/78/76/27/1090787627.db2.gz JMHZLTWBIYXVDZ-LSDHHAIUSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CCOCC1 ZINC001438378745 1090861028 /nfs/dbraw/zinc/86/10/28/1090861028.db2.gz RVXDOSYYVGIAQS-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1nc(C[NH2+]CC2(NC(=O)C[N@@H+](C)C3CCC3)CCCC2)c(C)o1 ZINC001438385954 1090871350 /nfs/dbraw/zinc/87/13/50/1090871350.db2.gz ITRNDOLUECWAID-UHFFFAOYSA-N 2 0 348.491 2.294 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438421456 1090916484 /nfs/dbraw/zinc/91/64/84/1090916484.db2.gz KZRQINZYMCJTKT-AZUAARDMSA-N 2 0 344.503 2.331 10 0 EEAERP COc1cccc(C[NH2+]C[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001438429899 1090928963 /nfs/dbraw/zinc/92/89/63/1090928963.db2.gz WHPZBNPMPUHQFQ-JXFKEZNVSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1nc(C)c(C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)o1 ZINC001438446965 1090952296 /nfs/dbraw/zinc/95/22/96/1090952296.db2.gz WZNZHDPFBUTUOL-UHFFFAOYSA-N 2 0 344.459 2.149 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1)[NH+]1CCCC1 ZINC001438709395 1091224031 /nfs/dbraw/zinc/22/40/31/1091224031.db2.gz AASAEWHEDIUWPQ-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438723945 1091253849 /nfs/dbraw/zinc/25/38/49/1091253849.db2.gz RZOGHBOQSSPTSI-GXTWGEPZSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@H](C[NH2+]Cc1cc2ccccc2s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445497871 1091274923 /nfs/dbraw/zinc/27/49/23/1091274923.db2.gz FNBWRJGOQSPBDF-UKRRQHHQSA-N 2 0 331.485 2.447 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)NC(=O)C[NH+]1CCCC1 ZINC001445648584 1091438399 /nfs/dbraw/zinc/43/83/99/1091438399.db2.gz NWALJCNMOSUTBW-ZDUSSCGKSA-N 2 0 343.393 2.396 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001445658863 1091446767 /nfs/dbraw/zinc/44/67/67/1091446767.db2.gz SMSDMVFQZVIHIG-LPHOPBHVSA-N 2 0 347.503 2.410 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC001438842028 1091474878 /nfs/dbraw/zinc/47/48/78/1091474878.db2.gz QITSGXYIFYHMCR-IAGOWNOFSA-N 2 0 341.540 2.121 10 0 EEAERP CO[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001445773874 1091637933 /nfs/dbraw/zinc/63/79/33/1091637933.db2.gz HKABXCKLNSPKBY-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1cnc(C)cn1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439075177 1091722965 /nfs/dbraw/zinc/72/29/65/1091722965.db2.gz BSHTZPUJTZMBKT-ULQDDVLXSA-N 2 0 347.507 2.014 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(COC)cc2)CC[N@@H+]1C ZINC001439109394 1091753915 /nfs/dbraw/zinc/75/39/15/1091753915.db2.gz MFAVQKILWWOQSZ-AYOQOUSVSA-N 2 0 347.503 2.158 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001439111059 1091755609 /nfs/dbraw/zinc/75/56/09/1091755609.db2.gz OWPMAQQUUUQLNM-NVXWUHKLSA-N 2 0 349.523 2.105 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2c(C)noc2C)C1 ZINC001439152344 1091794537 /nfs/dbraw/zinc/79/45/37/1091794537.db2.gz WXIVSWXEXUPIJW-CJNGLKHVSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC001439282746 1091941082 /nfs/dbraw/zinc/94/10/82/1091941082.db2.gz MRERSCXFIYRKRP-QWHCGFSZSA-N 2 0 325.403 2.216 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001439287171 1091946931 /nfs/dbraw/zinc/94/69/31/1091946931.db2.gz YSIWNGCVSOCXQP-MAUKXSAKSA-N 2 0 347.503 2.271 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ocnc1C ZINC001446023836 1092013591 /nfs/dbraw/zinc/01/35/91/1092013591.db2.gz ZQTZNXBQHDNJKK-HZPDHXFCSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCOC1CCC1 ZINC001439378113 1092120228 /nfs/dbraw/zinc/12/02/28/1092120228.db2.gz IDIRGKSCKVOKRB-SJLPKXTDSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001439624682 1092537449 /nfs/dbraw/zinc/53/74/49/1092537449.db2.gz YTXCUJWZUQROIW-QGZVFWFLSA-N 2 0 330.476 2.003 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)c(C)n1 ZINC001439817030 1092795771 /nfs/dbraw/zinc/79/57/71/1092795771.db2.gz QAUFYSDDDJUJGQ-IBGZPJMESA-N 2 0 346.519 2.415 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CC2CC3(CCC3)C2)C1 ZINC001440241459 1093328419 /nfs/dbraw/zinc/32/84/19/1093328419.db2.gz JHJUUGQGDKBQFY-FUHWJXTLSA-N 2 0 333.520 2.441 10 0 EEAERP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001448388695 1093380796 /nfs/dbraw/zinc/38/07/96/1093380796.db2.gz BFHHIXRMGNPBCU-QGZVFWFLSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC1 ZINC001440317848 1093453403 /nfs/dbraw/zinc/45/34/03/1093453403.db2.gz IZZWUYHUXMAGHF-CQSZACIVSA-N 2 0 345.422 2.258 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C1 ZINC001448481384 1093502789 /nfs/dbraw/zinc/50/27/89/1093502789.db2.gz YACBHYFWXQPHSV-RBSFLKMASA-N 2 0 349.441 2.497 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)C[C@H]2CC(C)(C)CO2)CC1 ZINC001448537714 1093575046 /nfs/dbraw/zinc/57/50/46/1093575046.db2.gz YGNWAJPXELRQCN-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C)c1cccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001440399657 1093584023 /nfs/dbraw/zinc/58/40/23/1093584023.db2.gz USPKNODPALUEAD-SFHVURJKSA-N 2 0 346.519 2.175 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001440452157 1093663683 /nfs/dbraw/zinc/66/36/83/1093663683.db2.gz JSGYXZQSYQLOFM-OKZBNKHCSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001440466374 1093689428 /nfs/dbraw/zinc/68/94/28/1093689428.db2.gz RVJAIABCYHRSCI-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1CCC2(C[NH+](CC(C)C)C2)O1)[NH+](CC)CC ZINC001440499668 1093739989 /nfs/dbraw/zinc/73/99/89/1093739989.db2.gz JDAWIUFIENKZHW-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001448683394 1093749296 /nfs/dbraw/zinc/74/92/96/1093749296.db2.gz NKKBFPHRLVPUCJ-MAUKXSAKSA-N 2 0 333.476 2.116 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001440671035 1093934594 /nfs/dbraw/zinc/93/45/94/1093934594.db2.gz MYSCCIGLSMFRGQ-GOEBONIOSA-N 2 0 336.480 2.232 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)ccc1C ZINC001448987364 1093990108 /nfs/dbraw/zinc/99/01/08/1093990108.db2.gz RQGJNLMAXUEQHH-NVXWUHKLSA-N 2 0 333.476 2.034 10 0 EEAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2)[NH+](C)C ZINC001449026460 1094033875 /nfs/dbraw/zinc/03/38/75/1094033875.db2.gz HHFQJKMFFRYHQJ-LMMKCTJWSA-N 2 0 330.476 2.035 10 0 EEAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H](C)[NH2+]Cc1ccnn1C ZINC001440820329 1094072402 /nfs/dbraw/zinc/07/24/02/1094072402.db2.gz YLONPQPWIAXDCW-HZPDHXFCSA-N 2 0 349.523 2.058 10 0 EEAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001449096164 1094106751 /nfs/dbraw/zinc/10/67/51/1094106751.db2.gz ZLZHKPLZALEGGZ-LBPRGKRZSA-N 2 0 346.302 2.228 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001440887437 1094144491 /nfs/dbraw/zinc/14/44/91/1094144491.db2.gz LFEJFKQKFPKJGV-UHFFFAOYSA-N 2 0 349.523 2.134 10 0 EEAERP Cc1ccc(OCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001440927135 1094180596 /nfs/dbraw/zinc/18/05/96/1094180596.db2.gz QAGFOXFFKFMOAO-YQVWRLOYSA-N 2 0 347.503 2.151 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001440934792 1094187253 /nfs/dbraw/zinc/18/72/53/1094187253.db2.gz ORZYKLHFTNLLKQ-KBXCAEBGSA-N 2 0 330.476 2.445 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001440964803 1094221604 /nfs/dbraw/zinc/22/16/04/1094221604.db2.gz ANGYOFZJZHBDII-HOCLYGCPSA-N 2 0 335.467 2.412 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1conc1C ZINC001440980018 1094242254 /nfs/dbraw/zinc/24/22/54/1094242254.db2.gz BUTLAPZYYDALND-NVXWUHKLSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001449369650 1094337526 /nfs/dbraw/zinc/33/75/26/1094337526.db2.gz OPRAOWULNWCKPD-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cn(C(C)C)nc2C)C1 ZINC001449400841 1094382275 /nfs/dbraw/zinc/38/22/75/1094382275.db2.gz WTBCWIOWVPDBCA-UHFFFAOYSA-N 2 0 349.523 2.193 10 0 EEAERP C[C@H](O)C[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001441105479 1094412669 /nfs/dbraw/zinc/41/26/69/1094412669.db2.gz FTEOAGZWIPEJCB-INIZCTEOSA-N 2 0 347.503 2.151 10 0 EEAERP O=C(NC[C@H]([NH2+]Cc1cncs1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001441216091 1094580645 /nfs/dbraw/zinc/58/06/45/1094580645.db2.gz VKYJIWJIBMJLLW-INIZCTEOSA-N 2 0 348.516 2.004 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001441546211 1095270500 /nfs/dbraw/zinc/27/05/00/1095270500.db2.gz FJSINDLWVDECJL-SOUVJXGZSA-N 2 0 331.451 2.389 10 0 EEAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001441721324 1095701135 /nfs/dbraw/zinc/70/11/35/1095701135.db2.gz ZEYGAMGNIXKWER-SFHVURJKSA-N 2 0 335.467 2.053 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001441860164 1095959863 /nfs/dbraw/zinc/95/98/63/1095959863.db2.gz IGDWUBJPTCRUBT-MJGOQNOKSA-N 2 0 346.475 2.081 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(F)c1Cl ZINC001441932910 1096123612 /nfs/dbraw/zinc/12/36/12/1096123612.db2.gz FLAIKAFVGRZBQF-LBPRGKRZSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442006658 1096208657 /nfs/dbraw/zinc/20/86/57/1096208657.db2.gz HYGZGCZRXMHTEN-DLBZAZTESA-N 2 0 347.503 2.410 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001442006723 1096210322 /nfs/dbraw/zinc/21/03/22/1096210322.db2.gz WIBASUGUFGTOFC-UKRRQHHQSA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001442172532 1096437589 /nfs/dbraw/zinc/43/75/89/1096437589.db2.gz QOWPOZRFQADVNT-OAHLLOKOSA-N 2 0 335.517 2.464 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH+](CCF)CC1)[NH+]1CCCC1 ZINC001442218029 1096512094 /nfs/dbraw/zinc/51/20/94/1096512094.db2.gz KDNSBXJDHRZWDG-NVXWUHKLSA-N 2 0 327.488 2.293 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001442233517 1096533194 /nfs/dbraw/zinc/53/31/94/1096533194.db2.gz MQMOUIFBGHKXEO-PCKAHOCUSA-N 2 0 343.462 2.485 10 0 EEAERP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cc(C)ccc1F ZINC001442649172 1097016881 /nfs/dbraw/zinc/01/68/81/1097016881.db2.gz DJLKNDLQERQZGS-NVXWUHKLSA-N 2 0 335.467 2.412 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001443185769 1097628048 /nfs/dbraw/zinc/62/80/48/1097628048.db2.gz COBWSPQYHFVTPT-QGZVFWFLSA-N 2 0 332.492 2.155 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001443336549 1097849047 /nfs/dbraw/zinc/84/90/47/1097849047.db2.gz RXHKEJRLWDJGBB-OAHLLOKOSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1cccnc1C ZINC001479636744 1098664266 /nfs/dbraw/zinc/66/42/66/1098664266.db2.gz DRKZVLJDPZAVNQ-OTWHNJEPSA-N 2 0 346.519 2.445 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001479709698 1098787370 /nfs/dbraw/zinc/78/73/70/1098787370.db2.gz MNMXLCAVLIALFP-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC001479719227 1098806112 /nfs/dbraw/zinc/80/61/12/1098806112.db2.gz OWSADFYBJHCCKP-AGIUHOORSA-N 2 0 336.307 2.101 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCOC1CCC1 ZINC001479778116 1098959678 /nfs/dbraw/zinc/95/96/78/1098959678.db2.gz MKEQKOXIJBZXMR-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001444394964 1098990168 /nfs/dbraw/zinc/99/01/68/1098990168.db2.gz ZVFDZCPMEODLOZ-KBPBESRZSA-N 2 0 332.448 2.182 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001444633646 1099461057 /nfs/dbraw/zinc/46/10/57/1099461057.db2.gz OWOHIQIJSPTYEG-KSSFIOAISA-N 2 0 348.491 2.327 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001444633431 1099461269 /nfs/dbraw/zinc/46/12/69/1099461269.db2.gz YFGRBPTYOMNHFQ-HOCLYGCPSA-N 2 0 348.491 2.363 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001480062911 1099591229 /nfs/dbraw/zinc/59/12/29/1099591229.db2.gz XYRRCNBKJJORAY-MJGOQNOKSA-N 2 0 347.478 2.194 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001480155765 1099727309 /nfs/dbraw/zinc/72/73/09/1099727309.db2.gz CSQZHWNHXDETPE-JOCQHMNTSA-N 2 0 327.831 2.168 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480162336 1099737244 /nfs/dbraw/zinc/73/72/44/1099737244.db2.gz PQNLCQZRJVIYQU-BZSNNMDCSA-N 2 0 339.524 2.160 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001480167685 1099743407 /nfs/dbraw/zinc/74/34/07/1099743407.db2.gz NTBYNCVUBDKHRU-ITFAXAFGSA-N 2 0 325.456 2.032 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C(C)C)on1 ZINC001444903940 1099965683 /nfs/dbraw/zinc/96/56/83/1099965683.db2.gz VTNHXDBWLYNAMN-INIZCTEOSA-N 2 0 336.480 2.088 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001480296530 1100011839 /nfs/dbraw/zinc/01/18/39/1100011839.db2.gz BXTSGNAYHFEVOV-NKPXIPJASA-N 2 0 327.900 2.299 10 0 EEAERP CC[C@H](C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001480357267 1100128726 /nfs/dbraw/zinc/12/87/26/1100128726.db2.gz QTWKIWUIZXLFNX-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP CN(CC[N@H+](C)C/C=C\c1ccccc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445060362 1100248249 /nfs/dbraw/zinc/24/82/49/1100248249.db2.gz AOEGDHCQERJXET-KWEPMOPPSA-N 2 0 329.488 2.432 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480528186 1100359199 /nfs/dbraw/zinc/35/91/99/1100359199.db2.gz ZFDUMRDYHQLYGK-BZSNNMDCSA-N 2 0 347.503 2.198 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496208249 1100751821 /nfs/dbraw/zinc/75/18/21/1100751821.db2.gz VWMNGUJTSFNBSP-RDJZCZTQSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496271955 1100849472 /nfs/dbraw/zinc/84/94/72/1100849472.db2.gz MOJVBSFEESDWJK-BPQIPLTHSA-N 2 0 332.492 2.042 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](Cc2ccccn2)C1 ZINC001446530034 1100986253 /nfs/dbraw/zinc/98/62/53/1100986253.db2.gz YDGSENVDRXEKJZ-IEBWSBKVSA-N 2 0 330.476 2.037 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495300101 1100999118 /nfs/dbraw/zinc/99/91/18/1100999118.db2.gz OPTCNWOLRUUBBR-IBGZPJMESA-N 2 0 348.491 2.016 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001496415944 1101010257 /nfs/dbraw/zinc/01/02/57/1101010257.db2.gz RLZXOEOZBSPJTD-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cc(C)cc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001446561733 1101043393 /nfs/dbraw/zinc/04/33/93/1101043393.db2.gz NEYFWMZMVFQRTP-HXUWFJFHSA-N 2 0 329.488 2.480 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001495362209 1101077572 /nfs/dbraw/zinc/07/75/72/1101077572.db2.gz FIZCGEWIKGZCJY-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001446597493 1101090394 /nfs/dbraw/zinc/09/03/94/1101090394.db2.gz IKZHONMSXFRAQP-OXQOHEQNSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001446677904 1101223022 /nfs/dbraw/zinc/22/30/22/1101223022.db2.gz MIALPUJPBSSOMI-PKOBYXMFSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496646084 1101250800 /nfs/dbraw/zinc/25/08/00/1101250800.db2.gz XKYGFBFFZVHDFE-GOSISDBHSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001495540036 1101255853 /nfs/dbraw/zinc/25/58/53/1101255853.db2.gz JBRWFTIWQJUNLP-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1C[N@H+](CCCF)CCC1(F)F)[NH+]1CCCC1 ZINC001446727958 1101302423 /nfs/dbraw/zinc/30/24/23/1101302423.db2.gz RFUGDASHSVPEOR-CQSZACIVSA-N 2 0 349.441 2.294 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)Cn2ccnc2C)c1 ZINC001496836375 1101566224 /nfs/dbraw/zinc/56/62/24/1101566224.db2.gz RDOVBBMUMLITKZ-HNNXBMFYSA-N 2 0 344.459 2.352 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446944624 1101634497 /nfs/dbraw/zinc/63/44/97/1101634497.db2.gz TXZIWOXHJDMCMB-AEFFLSMTSA-N 2 0 346.519 2.031 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001496886128 1101666707 /nfs/dbraw/zinc/66/67/07/1101666707.db2.gz FBGFQOVGFXDVJW-CRAIPNDOSA-N 2 0 348.466 2.080 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001446965880 1101673483 /nfs/dbraw/zinc/67/34/83/1101673483.db2.gz COVVXHUBOWEUPM-HIFRSBDPSA-N 2 0 331.451 2.058 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001446974669 1101686894 /nfs/dbraw/zinc/68/68/94/1101686894.db2.gz RHJNIONHXRAAMN-MJGOQNOKSA-N 2 0 331.504 2.439 10 0 EEAERP C[C@@H](CC[NH2+]C/C=C/c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497302390 1102282392 /nfs/dbraw/zinc/28/23/92/1102282392.db2.gz BGFDVVGPWLZNBP-JZLODUJNSA-N 2 0 327.472 2.280 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001497325179 1102328017 /nfs/dbraw/zinc/32/80/17/1102328017.db2.gz YJUJJCVUSZCADM-HUUCEWRRSA-N 2 0 331.451 2.392 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497401784 1102433732 /nfs/dbraw/zinc/43/37/32/1102433732.db2.gz ZMKIHLHUVLEHCZ-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497418103 1102458982 /nfs/dbraw/zinc/45/89/82/1102458982.db2.gz NSDZZBBFJQAULW-GOSISDBHSA-N 2 0 333.476 2.118 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001497487264 1102566172 /nfs/dbraw/zinc/56/61/72/1102566172.db2.gz WLQHRCXCSJWKHH-INIZCTEOSA-N 2 0 327.419 2.243 10 0 EEAERP CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001447430943 1102641651 /nfs/dbraw/zinc/64/16/51/1102641651.db2.gz UDFQWOJLNPKWFH-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)s1 ZINC001497599615 1102729001 /nfs/dbraw/zinc/72/90/01/1102729001.db2.gz XHXOTKUDQDYGRK-AATRIKPKSA-N 2 0 336.505 2.006 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1Cl ZINC001497797345 1103124211 /nfs/dbraw/zinc/12/42/11/1103124211.db2.gz BUCFACZRRPCGGU-DOMZBBRYSA-N 2 0 339.867 2.037 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817897 1103146441 /nfs/dbraw/zinc/14/64/41/1103146441.db2.gz LMRKZAIVMHDADG-CKEIUWERSA-N 2 0 328.460 2.102 10 0 EEAERP C[N@H+](CCc1cccs1)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001447766489 1103265897 /nfs/dbraw/zinc/26/58/97/1103265897.db2.gz HLJIEILHIJVGPI-HOTGVXAUSA-N 2 0 335.517 2.165 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001447785186 1103336332 /nfs/dbraw/zinc/33/63/32/1103336332.db2.gz VLCREUVBMPGIBP-DOTOQJQBSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447865054 1103474434 /nfs/dbraw/zinc/47/44/34/1103474434.db2.gz JXRVSBJYRQZPIA-GJZGRUSLSA-N 2 0 345.487 2.184 10 0 EEAERP C[C@@H]([NH2+]CCc1ccccc1F)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001447874841 1103491600 /nfs/dbraw/zinc/49/16/00/1103491600.db2.gz UISOQVAPLQTSLE-CABCVRRESA-N 2 0 335.467 2.335 10 0 EEAERP C[N@H+](CCc1ccccc1F)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001494118498 1103548223 /nfs/dbraw/zinc/54/82/23/1103548223.db2.gz FWKYFWSETYLFBS-APWZRJJASA-N 2 0 347.478 2.243 10 0 EEAERP Cc1cnc([C@@H](C)[NH+](C)C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001494178821 1103651414 /nfs/dbraw/zinc/65/14/14/1103651414.db2.gz NHUYFIISXNZMQV-HZPDHXFCSA-N 2 0 336.480 2.165 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001448062592 1103921724 /nfs/dbraw/zinc/92/17/24/1103921724.db2.gz JHUVENGRUUDMSI-GUYCJALGSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1cccnc1C[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001448310416 1104363646 /nfs/dbraw/zinc/36/36/46/1104363646.db2.gz AJEPXLOWWOORBK-SJLPKXTDSA-N 2 0 344.503 2.201 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001494981338 1104623746 /nfs/dbraw/zinc/62/37/46/1104623746.db2.gz OBECTMZYSFNOKI-STQMWFEESA-N 2 0 334.291 2.132 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498095832 1106913890 /nfs/dbraw/zinc/91/38/90/1106913890.db2.gz CYKKQMKUQZTFMT-AWEZNQCLSA-N 2 0 337.895 2.319 10 0 EEAERP CC(C)C[NH2+]CCc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001480713946 1106940152 /nfs/dbraw/zinc/94/01/52/1106940152.db2.gz RRWMIQMDHMSRRM-UHFFFAOYSA-N 2 0 331.504 2.433 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498117608 1106943055 /nfs/dbraw/zinc/94/30/55/1106943055.db2.gz FYVFJPPDBKIYIC-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498159362 1107001668 /nfs/dbraw/zinc/00/16/68/1107001668.db2.gz BHLUVECBOZSYTE-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001480793099 1107126550 /nfs/dbraw/zinc/12/65/50/1107126550.db2.gz YRQQSVLAMSMTQM-KDOFPFPSSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001498490533 1107626483 /nfs/dbraw/zinc/62/64/83/1107626483.db2.gz YTNOFUCYEDRDSZ-WBVHZDCISA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCCF)[NH+]1CCCC1 ZINC001498493925 1107631188 /nfs/dbraw/zinc/63/11/88/1107631188.db2.gz YTMRTAOVYZTAGQ-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)CC[NH+](C)C ZINC001498606003 1107799071 /nfs/dbraw/zinc/79/90/71/1107799071.db2.gz FVZVUHHVLBVXOB-UHFFFAOYSA-N 2 0 328.460 2.125 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC001498629123 1107841528 /nfs/dbraw/zinc/84/15/28/1107841528.db2.gz HDGYHGRKNQLCKT-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP O=C(NCC[N@H+](Cc1ccsc1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001493373220 1108014792 /nfs/dbraw/zinc/01/47/92/1108014792.db2.gz YRIXEJRSWVKWQQ-QGZVFWFLSA-N 2 0 333.501 2.171 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493498857 1108236878 /nfs/dbraw/zinc/23/68/78/1108236878.db2.gz DUQYRGKWWSRODM-HKUYNNGSSA-N 2 0 329.488 2.249 10 0 EEAERP CN(C)c1cccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001493585255 1108359005 /nfs/dbraw/zinc/35/90/05/1108359005.db2.gz UABKLTOSMNJKHD-GOSISDBHSA-N 2 0 346.519 2.175 10 0 EEAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001493586375 1108361945 /nfs/dbraw/zinc/36/19/45/1108361945.db2.gz PGWDNELZGPBBEF-INIZCTEOSA-N 2 0 325.522 2.499 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001493743184 1108611096 /nfs/dbraw/zinc/61/10/96/1108611096.db2.gz XGCUEONVGXCQOH-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001493743183 1108611173 /nfs/dbraw/zinc/61/11/73/1108611173.db2.gz XGCUEONVGXCQOH-HNNXBMFYSA-N 2 0 331.451 2.202 10 0 EEAERP CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)(c2ccccc2)CC1 ZINC001464488585 1110395436 /nfs/dbraw/zinc/39/54/36/1110395436.db2.gz XAOZJGUDTLUZLW-GOSISDBHSA-N 2 0 341.499 2.393 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001464874935 1110406274 /nfs/dbraw/zinc/40/62/74/1110406274.db2.gz UTANZRQRAVGBBT-PKOBYXMFSA-N 2 0 331.504 2.255 10 0 EEAERP CC[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001470212888 1110503195 /nfs/dbraw/zinc/50/31/95/1110503195.db2.gz YYWGRAIQTORQFE-ULQDDVLXSA-N 2 0 326.529 2.384 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001478971838 1110659182 /nfs/dbraw/zinc/65/91/82/1110659182.db2.gz YREDVLXMIPONBT-IRXDYDNUSA-N 2 0 326.529 2.382 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC001499857647 1112516723 /nfs/dbraw/zinc/51/67/23/1112516723.db2.gz LWQYMULHTWZADM-DOTOQJQBSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001499955830 1112554865 /nfs/dbraw/zinc/55/48/65/1112554865.db2.gz XVRNGFSOMRBIML-LJQANCHMSA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccns1)C1CCCC1 ZINC001500131983 1112631595 /nfs/dbraw/zinc/63/15/95/1112631595.db2.gz XDNYVWCEQAUCTR-INIZCTEOSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500164142 1112649034 /nfs/dbraw/zinc/64/90/34/1112649034.db2.gz XRSGZZROPVFORG-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP CO[C@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001501682124 1113432607 /nfs/dbraw/zinc/43/26/07/1113432607.db2.gz YIZHRWGUNYSGQG-CVEARBPZSA-N 2 0 333.476 2.084 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001501710810 1113445176 /nfs/dbraw/zinc/44/51/76/1113445176.db2.gz QHTTWBYTIWQEJF-JYJNAYRXSA-N 2 0 327.488 2.341 10 0 EEAERP CCc1nocc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001501952601 1113534423 /nfs/dbraw/zinc/53/44/23/1113534423.db2.gz SKEMJDBSKFODAS-DOTOQJQBSA-N 2 0 348.491 2.096 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001502094579 1113584891 /nfs/dbraw/zinc/58/48/91/1113584891.db2.gz JWNPBQMVLCUCAP-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502969726 1113865144 /nfs/dbraw/zinc/86/51/44/1113865144.db2.gz QEKGINDLYVYBNY-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[NH+]1CCC2(CC1)CN(C(=O)CCCC[NH+](C)C)CCO2 ZINC001503711670 1113902170 /nfs/dbraw/zinc/90/21/70/1113902170.db2.gz JTNJCDIHTFNVCX-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001505436232 1113969686 /nfs/dbraw/zinc/96/96/86/1113969686.db2.gz XJZFLKGRSFFLQS-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCOCC1 ZINC001505937451 1114289722 /nfs/dbraw/zinc/28/97/22/1114289722.db2.gz DYOFYPVLQDMQIL-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCCc1ccsc1 ZINC001506001439 1114333654 /nfs/dbraw/zinc/33/36/54/1114333654.db2.gz ASIKNQVQHASXJC-HZPDHXFCSA-N 2 0 337.533 2.459 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506065807 1114389962 /nfs/dbraw/zinc/38/99/62/1114389962.db2.gz WPDAXBOCRMXYMQ-HNNXBMFYSA-N 2 0 330.476 2.445 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001506488215 1114644468 /nfs/dbraw/zinc/64/44/68/1114644468.db2.gz LUEOSGWPJUHHSE-ZBFHGGJFSA-N 2 0 338.521 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOc2ccccc2)CC1(C)C ZINC001506751390 1114864365 /nfs/dbraw/zinc/86/43/65/1114864365.db2.gz UWJNLETTWWRIRM-GOSISDBHSA-N 2 0 347.503 2.234 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21)c1ccccc1 ZINC001506820000 1114894590 /nfs/dbraw/zinc/89/45/90/1114894590.db2.gz IIKQNRDKMZBVOB-OKYOBFRVSA-N 2 0 347.478 2.333 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)CCCCC1 ZINC001506822028 1114895739 /nfs/dbraw/zinc/89/57/39/1114895739.db2.gz ZZHFWAWMXRCLGV-OSYLJGHBSA-N 2 0 339.499 2.152 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3nocc3C)C[C@H]2C1 ZINC001506856767 1114921972 /nfs/dbraw/zinc/92/19/72/1114921972.db2.gz MGPPGTXZGCDQPP-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C/C=C\Cl)C[C@]2(C)C1 ZINC001506870452 1114941624 /nfs/dbraw/zinc/94/16/24/1114941624.db2.gz OWCHSENDVRQNAY-UGZFAFSNSA-N 2 0 327.900 2.250 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC[C@@H](C)F)C2)C1 ZINC001506892343 1114955046 /nfs/dbraw/zinc/95/50/46/1114955046.db2.gz SAYCVEKMNGANIL-WCXIOVBPSA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccn1 ZINC001507095459 1115105676 /nfs/dbraw/zinc/10/56/76/1115105676.db2.gz MTJAFVGVMARJJN-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)cn1 ZINC001507164651 1115143183 /nfs/dbraw/zinc/14/31/83/1115143183.db2.gz ZWULDXCNVUQTNP-IAGOWNOFSA-N 2 0 347.507 2.159 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)cn1 ZINC001507164653 1115143441 /nfs/dbraw/zinc/14/34/41/1115143441.db2.gz ZWULDXCNVUQTNP-SJORKVTESA-N 2 0 347.507 2.159 10 0 EEAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001507290731 1115176273 /nfs/dbraw/zinc/17/62/73/1115176273.db2.gz UQLCPZOKRFKUDF-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ns2)C[C@@H]1C ZINC001507327084 1115194470 /nfs/dbraw/zinc/19/44/70/1115194470.db2.gz HVMXGNYMGQDONV-GJZGRUSLSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001507331688 1115196689 /nfs/dbraw/zinc/19/66/89/1115196689.db2.gz QOQMRIVLONEJDT-QZTJIDSGSA-N 2 0 345.487 2.049 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507412477 1115257124 /nfs/dbraw/zinc/25/71/24/1115257124.db2.gz WHSMITCNTJSTJQ-IRXDYDNUSA-N 2 0 333.476 2.021 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001507440034 1115270103 /nfs/dbraw/zinc/27/01/03/1115270103.db2.gz NGTADBSJKQDABE-CVEARBPZSA-N 2 0 339.499 2.437 10 0 EEAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CCc2ccccc2F)CC1 ZINC001508218699 1115449673 /nfs/dbraw/zinc/44/96/73/1115449673.db2.gz BVUOIERQOPRIBW-UHFFFAOYSA-N 2 0 333.451 2.068 10 0 EEAERP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001567907534 1124170478 /nfs/dbraw/zinc/17/04/78/1124170478.db2.gz UXNAROMGDLYODB-ZIAGYGMSSA-N 2 0 335.414 2.346 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567922083 1124182098 /nfs/dbraw/zinc/18/20/98/1124182098.db2.gz LTEAZSATVDXOEC-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)ccc1C ZINC001567989776 1124218449 /nfs/dbraw/zinc/21/84/49/1124218449.db2.gz UAOXAHCXAPGVQJ-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001568065616 1124270698 /nfs/dbraw/zinc/27/06/98/1124270698.db2.gz CLRVVQDRTLNZPQ-NOKKCYSASA-N 2 0 327.900 2.299 10 0 EEAERP CC(C)COCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001568240609 1124380931 /nfs/dbraw/zinc/38/09/31/1124380931.db2.gz MLKWDJSHHUONMR-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F)[NH+](C)C ZINC001568298444 1124410311 /nfs/dbraw/zinc/41/03/11/1124410311.db2.gz PMPRNWXZWYOJKY-CRAIPNDOSA-N 2 0 337.483 2.391 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001568400457 1124470300 /nfs/dbraw/zinc/47/03/00/1124470300.db2.gz KPPONRFLDHZQDR-QGZVFWFLSA-N 2 0 348.491 2.248 10 0 EEAERP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001568424938 1124492125 /nfs/dbraw/zinc/49/21/25/1124492125.db2.gz WTHZSURAROIGHD-AEFFLSMTSA-N 2 0 349.523 2.075 10 0 EEAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001568531145 1124592997 /nfs/dbraw/zinc/59/29/97/1124592997.db2.gz NJNYIWLUGRGOAQ-HOTGVXAUSA-N 2 0 325.472 2.097 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001568640743 1124654459 /nfs/dbraw/zinc/65/44/59/1124654459.db2.gz OYJYBAVBWVIDFH-WMLDXEAASA-N 2 0 348.491 2.374 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1C ZINC001568674890 1124687658 /nfs/dbraw/zinc/68/76/58/1124687658.db2.gz XEMFNBBXFZBSGI-OAHLLOKOSA-N 2 0 347.503 2.330 10 0 EEAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568679193 1124691233 /nfs/dbraw/zinc/69/12/33/1124691233.db2.gz HWMIUDBCLMNDOX-NXHRZFHOSA-N 2 0 335.467 2.176 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568710354 1124727615 /nfs/dbraw/zinc/72/76/15/1124727615.db2.gz LFMZBMATACXZSF-HOCLYGCPSA-N 2 0 337.895 2.319 10 0 EEAERP CC(C)c1cccc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001568710473 1124727818 /nfs/dbraw/zinc/72/78/18/1124727818.db2.gz MYRNYBZEUUHSPJ-INIZCTEOSA-N 2 0 332.492 2.285 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001569213804 1125169938 /nfs/dbraw/zinc/16/99/38/1125169938.db2.gz MLYMUGLMVGCOLX-CQSZACIVSA-N 2 0 338.496 2.250 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccccn1 ZINC001569218231 1125173718 /nfs/dbraw/zinc/17/37/18/1125173718.db2.gz NTRKNIYUNZUTFB-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001569247557 1125193295 /nfs/dbraw/zinc/19/32/95/1125193295.db2.gz TYHFHRGBNZXGBB-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001569258323 1125200946 /nfs/dbraw/zinc/20/09/46/1125200946.db2.gz UCPPUMZTAZBCRS-IEBWSBKVSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001565878246 1125447589 /nfs/dbraw/zinc/44/75/89/1125447589.db2.gz HDJHRNSNHLLEFF-IHRRRGAJSA-N 2 0 335.414 2.155 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000052593365 214135252 /nfs/dbraw/zinc/13/52/52/214135252.db2.gz NJTCSQIOPVCLCY-LJQANCHMSA-N 2 0 344.503 2.388 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000422935396 536594872 /nfs/dbraw/zinc/59/48/72/536594872.db2.gz AHUGEMDSRCHFMY-CYBMUJFWSA-N 2 0 331.254 2.171 10 0 EEAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C2)C1 ZINC000416241098 530059568 /nfs/dbraw/zinc/05/95/68/530059568.db2.gz OOXPIIHEMZRMAW-OAQYLSRUSA-N 2 0 341.499 2.379 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000068084363 215275587 /nfs/dbraw/zinc/27/55/87/215275587.db2.gz YFMXFZHKYYQHLV-IRXDYDNUSA-N 2 0 347.503 2.477 10 0 EEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccccc2Br)C[C@@H]1C ZINC000104351342 219377600 /nfs/dbraw/zinc/37/76/00/219377600.db2.gz FBJVNWPLGYRKRL-WFASDCNBSA-N 2 0 326.282 2.475 10 0 EEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(Br)c1 ZINC000040749966 213382429 /nfs/dbraw/zinc/38/24/29/213382429.db2.gz DWKCLHTVJDZOHO-QXMXGUDHSA-N 2 0 338.249 2.342 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340094454 539823407 /nfs/dbraw/zinc/82/34/07/539823407.db2.gz LEDYLNSZUNMZQG-JQHSSLGASA-N 2 0 332.492 2.461 10 0 EEAERP CCOc1cc2c(cc1C[NH2+]CC1CC[NH+](CCO)CC1)O[C@H](C)C2 ZINC000069421047 215410698 /nfs/dbraw/zinc/41/06/98/215410698.db2.gz ZIMAVQAEYRCUEM-OAHLLOKOSA-N 2 0 348.487 2.203 10 0 EEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000360895289 283181787 /nfs/dbraw/zinc/18/17/87/283181787.db2.gz HTMKQMCEJVUMPD-IXDOHACOSA-N 2 0 326.529 2.479 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000415963625 239023926 /nfs/dbraw/zinc/02/39/26/239023926.db2.gz VWSYABAGGNSCNS-CQSZACIVSA-N 2 0 346.450 2.421 10 0 EEAERP CN(C(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000416155202 239087002 /nfs/dbraw/zinc/08/70/02/239087002.db2.gz COLWNWVTVXZGGX-LJQANCHMSA-N 2 0 327.472 2.130 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422876551 240272792 /nfs/dbraw/zinc/27/27/92/240272792.db2.gz QIWUPIOTLFBQLQ-YZVOILCLSA-N 2 0 333.476 2.260 10 0 EEAERP C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000459760460 245240350 /nfs/dbraw/zinc/24/03/50/245240350.db2.gz SJLIRMHLBZRZQH-HNNXBMFYSA-N 2 0 347.478 2.432 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000079653718 217246530 /nfs/dbraw/zinc/24/65/30/217246530.db2.gz TXJOCUAPTFLZBG-RHSMWYFYSA-N 2 0 338.471 2.458 10 0 EEAERP C[NH+](C)[C@@]1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCSC1 ZINC000267166481 256033731 /nfs/dbraw/zinc/03/37/31/256033731.db2.gz ZVNYXCRLGDQKOS-LJQANCHMSA-N 2 0 347.528 2.450 10 0 EEAERP CC1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000267898120 256095047 /nfs/dbraw/zinc/09/50/47/256095047.db2.gz VSUSXHKXZWQORO-UHFFFAOYSA-N 2 0 345.491 2.083 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000248716066 160358324 /nfs/dbraw/zinc/35/83/24/160358324.db2.gz FPJFBCJUPLHZDH-SJORKVTESA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000261620320 160402189 /nfs/dbraw/zinc/40/21/89/160402189.db2.gz BZXADRYKJOPCDC-JLSDUUJJSA-N 2 0 331.460 2.486 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246934132 160301889 /nfs/dbraw/zinc/30/18/89/160301889.db2.gz MTWQQPCOBWYGOR-MOPGFXCFSA-N 2 0 331.504 2.350 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247470220 160325875 /nfs/dbraw/zinc/32/58/75/160325875.db2.gz GVKXNLPRCJTEJH-MOPGFXCFSA-N 2 0 342.487 2.141 10 0 EEAERP CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(N)=O ZINC000248425435 160345448 /nfs/dbraw/zinc/34/54/48/160345448.db2.gz NXXSBQKAFCOZBS-KZNAEPCWSA-N 2 0 329.488 2.388 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)N2CCSCC2)CC1 ZINC000343730172 161162831 /nfs/dbraw/zinc/16/28/31/161162831.db2.gz XFEFWKIUBYKYAY-OAHLLOKOSA-N 2 0 327.538 2.004 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000361887242 164519435 /nfs/dbraw/zinc/51/94/35/164519435.db2.gz DAUIGFUOVMBQGF-FUMNGEBKSA-N 2 0 337.552 2.445 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000361887252 164519466 /nfs/dbraw/zinc/51/94/66/164519466.db2.gz DAUIGFUOVMBQGF-YSTOQKLRSA-N 2 0 337.552 2.445 10 0 EEAERP C[NH+](C)CCc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364212713 165053325 /nfs/dbraw/zinc/05/33/25/165053325.db2.gz KKBBMNWHLZHPCB-FUHIMQAGSA-N 2 0 345.487 2.262 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000364243178 165067339 /nfs/dbraw/zinc/06/73/39/165067339.db2.gz DDKWNHAXNCUTOK-MRXNPFEDSA-N 2 0 347.463 2.008 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376319405 167303670 /nfs/dbraw/zinc/30/36/70/167303670.db2.gz DLTUHNDMUHYJCQ-HZPDHXFCSA-N 2 0 333.480 2.307 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423008429 274048353 /nfs/dbraw/zinc/04/83/53/274048353.db2.gz AERIXAPACDKXJO-BBWFWOEESA-N 2 0 325.884 2.429 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000278571959 274375324 /nfs/dbraw/zinc/37/53/24/274375324.db2.gz CZEPFQOSLBSBOO-MRXNPFEDSA-N 2 0 343.471 2.384 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287136218 274938080 /nfs/dbraw/zinc/93/80/80/274938080.db2.gz MTUFHVQSXGUEBZ-RHSMWYFYSA-N 2 0 338.471 2.458 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000354100387 276100380 /nfs/dbraw/zinc/10/03/80/276100380.db2.gz LXDQYBOXPPLRSV-GOSISDBHSA-N 2 0 345.491 2.279 10 0 EEAERP CS[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1[NH+](C)C ZINC000270499575 277529486 /nfs/dbraw/zinc/52/94/86/277529486.db2.gz PLXCGZVCQHOUAR-MSOLQXFVSA-N 2 0 347.528 2.400 10 0 EEAERP CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173823994 277891982 /nfs/dbraw/zinc/89/19/82/277891982.db2.gz PFGKZYUHTSMXAM-OALUTQOASA-N 2 0 348.535 2.399 10 0 EEAERP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367614396 289032452 /nfs/dbraw/zinc/03/24/52/289032452.db2.gz HAPFNROIOPBECV-QRVBRYPASA-N 2 0 329.488 2.393 10 0 EEAERP [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000262924552 303470538 /nfs/dbraw/zinc/47/05/38/303470538.db2.gz LKBWJSJFCWMWMK-OAGGEKHMSA-N 2 0 333.501 2.346 10 0 EEAERP C[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000339067630 312251372 /nfs/dbraw/zinc/25/13/72/312251372.db2.gz BNBSWEMVLWDLSO-QWFCFKBJSA-N 2 0 331.504 2.380 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000414735945 313072701 /nfs/dbraw/zinc/07/27/01/313072701.db2.gz MFIKEKSHGXBLRR-CVEARBPZSA-N 2 0 345.491 2.030 10 0 EEAERP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414938370 313112711 /nfs/dbraw/zinc/11/27/11/313112711.db2.gz IMDLYDNNPMWHKG-RKVPGOIHSA-N 2 0 343.471 2.429 10 0 EEAERP C[N@H+](CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416866030 313340621 /nfs/dbraw/zinc/34/06/21/313340621.db2.gz ABXKURWXGLKYRK-SFHVURJKSA-N 2 0 330.476 2.044 10 0 EEAERP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000416897447 313353386 /nfs/dbraw/zinc/35/33/86/313353386.db2.gz XUCVJUCQYSERDS-GOSISDBHSA-N 2 0 326.444 2.247 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416977588 313379995 /nfs/dbraw/zinc/37/99/95/313379995.db2.gz CNFPZURFLAVLBB-RBUKOAKNSA-N 2 0 342.487 2.176 10 0 EEAERP CC(C)c1csc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000526133334 317122942 /nfs/dbraw/zinc/12/29/42/317122942.db2.gz DDAKVBVTUWDLNL-UHFFFAOYSA-N 2 0 327.498 2.224 10 0 EEAERP C[C@H](C[NH2+]Cc1ccsc1Br)CN1CC[NH+](C)CC1 ZINC000527654639 317237453 /nfs/dbraw/zinc/23/74/53/317237453.db2.gz UORSWVJJHMALFY-GFCCVEGCSA-N 2 0 346.338 2.484 10 0 EEAERP CC(=O)c1ccccc1OCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239357 317703343 /nfs/dbraw/zinc/70/33/43/317703343.db2.gz RZRTZCFWLBBFGP-GOSISDBHSA-N 2 0 346.471 2.359 10 0 EEAERP OC[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@@H]1CCOC1 ZINC000567109930 319349524 /nfs/dbraw/zinc/34/95/24/319349524.db2.gz IVQBWMVWAIDZAT-HSALFYBXSA-N 2 0 344.499 2.418 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000569837289 319613122 /nfs/dbraw/zinc/61/31/22/319613122.db2.gz MKVYPEMGLWCVKA-ROUUACIJSA-N 2 0 345.531 2.040 10 0 EEAERP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000574912149 320070199 /nfs/dbraw/zinc/07/01/99/320070199.db2.gz SBJCFOFNSFABEM-XHDPSFHLSA-N 2 0 349.372 2.151 10 0 EEAERP c1c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)[nH]nc1-c1ccccc1 ZINC000580880562 324144580 /nfs/dbraw/zinc/14/45/80/324144580.db2.gz YJFISFGVOGFEBQ-UHFFFAOYSA-N 2 0 339.487 2.383 10 0 EEAERP O[C@@H](COCc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080773 465026091 /nfs/dbraw/zinc/02/60/91/465026091.db2.gz XJNAPVRMUGJUDA-HXUWFJFHSA-N 2 0 332.488 2.372 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccn(C)n2)CC1 ZINC000354674189 465088620 /nfs/dbraw/zinc/08/86/20/465088620.db2.gz LVQWMUTVUCLABR-UHFFFAOYSA-N 2 0 341.503 2.284 10 0 EEAERP C[NH+](C)CCC(CC[NH+](C)C)(C(N)=O)c1cccc2ccccc21 ZINC000001995094 462588995 /nfs/dbraw/zinc/58/89/95/462588995.db2.gz WCORBEUIUCKPIG-UHFFFAOYSA-N 2 0 327.472 2.466 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115796903 462727410 /nfs/dbraw/zinc/72/74/10/462727410.db2.gz NTUQCWADZUKZQI-AWEZNQCLSA-N 2 0 338.471 2.417 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000115801091 462729308 /nfs/dbraw/zinc/72/93/08/462729308.db2.gz VKSQRIRYKAMINO-HNNXBMFYSA-N 2 0 348.466 2.171 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC000069621012 463288233 /nfs/dbraw/zinc/28/82/33/463288233.db2.gz AXUJQZNEUDWFQH-AWEZNQCLSA-N 2 0 326.868 2.401 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000080333093 463309679 /nfs/dbraw/zinc/30/96/79/463309679.db2.gz NWWMEHQOMGVSTK-UHFFFAOYSA-N 2 0 345.487 2.327 10 0 EEAERP C[NH+]1CCN(C[C@@H]([NH2+]CC2(C)CCOCC2)c2ccccc2)CC1 ZINC000097113519 463329350 /nfs/dbraw/zinc/32/93/50/463329350.db2.gz YHRPBJCDTVUWBS-LJQANCHMSA-N 2 0 331.504 2.381 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105169990 463441819 /nfs/dbraw/zinc/44/18/19/463441819.db2.gz YBDOXLLCNNOEHR-RBUKOAKNSA-N 2 0 344.503 2.039 10 0 EEAERP CC[NH+]1CCC[C@@H](Nc2cc(N[C@H]3CCC[N@@H+](CC)C3)ncn2)C1 ZINC000185228794 463782642 /nfs/dbraw/zinc/78/26/42/463782642.db2.gz OLZQIMZJABXOKH-IYBDPMFKSA-N 2 0 332.496 2.269 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cncnc3)CC2)c1 ZINC000171128507 463793648 /nfs/dbraw/zinc/79/36/48/463793648.db2.gz NDVWVOKICJAJIU-UHFFFAOYSA-N 2 0 339.487 2.477 10 0 EEAERP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CC2CC[NH2+]CC2)cs1 ZINC000261712238 463835495 /nfs/dbraw/zinc/83/54/95/463835495.db2.gz IYMICEAETMFPKJ-RDJZCZTQSA-N 2 0 340.512 2.295 10 0 EEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000261715105 463836755 /nfs/dbraw/zinc/83/67/55/463836755.db2.gz QBWSQRCYARWLGV-QGZVFWFLSA-N 2 0 331.460 2.236 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194423178 463860293 /nfs/dbraw/zinc/86/02/93/463860293.db2.gz MNYJGIDMKMCANM-GOSISDBHSA-N 2 0 332.492 2.102 10 0 EEAERP COc1cccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)c1 ZINC000279164769 464049936 /nfs/dbraw/zinc/04/99/36/464049936.db2.gz INCCCPKNQFHONX-QILLFSRXSA-N 2 0 333.476 2.144 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1F ZINC000284301378 464142701 /nfs/dbraw/zinc/14/27/01/464142701.db2.gz YQWIINXSMUEXCS-HOTGVXAUSA-N 2 0 342.480 2.333 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C)s1 ZINC000337588674 465452958 /nfs/dbraw/zinc/45/29/58/465452958.db2.gz VDYSIBUCJOARJZ-MRXNPFEDSA-N 2 0 337.533 2.474 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000237490099 464329542 /nfs/dbraw/zinc/32/95/42/464329542.db2.gz XCUFWMCBTRYXKO-SJLPKXTDSA-N 2 0 329.488 2.249 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc4c(cc32)OCCO4)CC1 ZINC000239653672 464443762 /nfs/dbraw/zinc/44/37/62/464443762.db2.gz BKQUPOWEKHORQG-SFHVURJKSA-N 2 0 345.487 2.062 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000181279467 464466163 /nfs/dbraw/zinc/46/61/63/464466163.db2.gz XTMRDWONJLKJTA-WMZOPIPTSA-N 2 0 332.492 2.290 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182552582 464680454 /nfs/dbraw/zinc/68/04/54/464680454.db2.gz QCAHVOCWZGYXOF-BBWFWOEESA-N 2 0 336.524 2.423 10 0 EEAERP CCc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000247511928 464688105 /nfs/dbraw/zinc/68/81/05/464688105.db2.gz PVHLCBUVRUJXRF-RBUKOAKNSA-N 2 0 344.503 2.341 10 0 EEAERP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000248861402 464811909 /nfs/dbraw/zinc/81/19/09/464811909.db2.gz MDYCFEHTGUWGKM-ARFHVFGLSA-N 2 0 333.476 2.039 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000337686788 465517181 /nfs/dbraw/zinc/51/71/81/465517181.db2.gz QQMIPPHFNWKPHA-RBUKOAKNSA-N 2 0 346.519 2.190 10 0 EEAERP COc1ccc(OC)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371296496 465695743 /nfs/dbraw/zinc/69/57/43/465695743.db2.gz ZWXWOFIJIUEDKK-VDZJLULYSA-N 2 0 334.460 2.387 10 0 EEAERP CCSCC[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362449595 465750595 /nfs/dbraw/zinc/75/05/95/465750595.db2.gz HLGJLPXZSACRIX-CQSZACIVSA-N 2 0 327.538 2.193 10 0 EEAERP COC1CC[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353435176 465879607 /nfs/dbraw/zinc/87/96/07/465879607.db2.gz TWFJBGRTDFNYBI-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000371592272 465891892 /nfs/dbraw/zinc/89/18/92/465891892.db2.gz JPLKEYCBTVEEEW-KRWDZBQOSA-N 2 0 345.487 2.327 10 0 EEAERP COCCOC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346192079 465978134 /nfs/dbraw/zinc/97/81/34/465978134.db2.gz CJQGNEYMYCDOCY-UHFFFAOYSA-N 2 0 330.432 2.203 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367527968 466394067 /nfs/dbraw/zinc/39/40/67/466394067.db2.gz UUBCSQYUUOSZGR-WSTZPKSXSA-N 2 0 329.488 2.486 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428090 466633301 /nfs/dbraw/zinc/63/33/01/466633301.db2.gz CAGYMJHTCUYDON-MFWIUYSUSA-N 2 0 345.487 2.287 10 0 EEAERP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290746 466710379 /nfs/dbraw/zinc/71/03/79/466710379.db2.gz FHOLUCJTMOBYNB-UONOGXRCSA-N 2 0 347.484 2.465 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417032506 466759940 /nfs/dbraw/zinc/75/99/40/466759940.db2.gz QLSNLGQTVAVNFU-SFHVURJKSA-N 2 0 332.492 2.498 10 0 EEAERP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252996 472042547 /nfs/dbraw/zinc/04/25/47/472042547.db2.gz FSWJQUSFRXKFDG-OALUTQOASA-N 2 0 346.471 2.197 10 0 EEAERP C1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423508364 466761303 /nfs/dbraw/zinc/76/13/03/466761303.db2.gz LBAPAIZOHBJHII-GNWGEKMJSA-N 3 0 334.552 2.103 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417048170 466764344 /nfs/dbraw/zinc/76/43/44/466764344.db2.gz RCEPRDXRBCIZID-HKUYNNGSSA-N 2 0 336.524 2.426 10 0 EEAERP CC[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[NH+](C)C ZINC000373416045 466796781 /nfs/dbraw/zinc/79/67/81/466796781.db2.gz FSYPSUCHXYIJKA-RUXDESIVSA-N 2 0 335.414 2.248 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417657342 466901107 /nfs/dbraw/zinc/90/11/07/466901107.db2.gz VRGKURSEVZXIHP-OTWHNJEPSA-N 2 0 342.487 2.187 10 0 EEAERP C[C@H](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417820869 466944836 /nfs/dbraw/zinc/94/48/36/466944836.db2.gz VFVNHGNMBORKBO-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP CC(C)COCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016053 466953020 /nfs/dbraw/zinc/95/30/20/466953020.db2.gz AZMHHGXIUWYFHC-UHFFFAOYSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417885460 466970075 /nfs/dbraw/zinc/97/00/75/466970075.db2.gz YFINZIUCOWCQBZ-SUMDDJOVSA-N 2 0 342.487 2.185 10 0 EEAERP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417999776 467017185 /nfs/dbraw/zinc/01/71/85/467017185.db2.gz WMQUFPGWKYIUGE-BMGDILEWSA-N 2 0 346.475 2.010 10 0 EEAERP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418040689 467031896 /nfs/dbraw/zinc/03/18/96/467031896.db2.gz JIZBQCUBXJVOJG-QUCCMNQESA-N 2 0 344.503 2.435 10 0 EEAERP C[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000371020389 467073526 /nfs/dbraw/zinc/07/35/26/467073526.db2.gz XSDIGRSVTWOFNN-LSTHTHJFSA-N 2 0 341.499 2.424 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418548049 467126573 /nfs/dbraw/zinc/12/65/73/467126573.db2.gz JPMRTPDFTOTQMC-BHIYHBOVSA-N 2 0 344.503 2.290 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420309063 467348887 /nfs/dbraw/zinc/34/88/87/467348887.db2.gz SWFHOVHHDCFTSO-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000420339608 467366788 /nfs/dbraw/zinc/36/67/88/467366788.db2.gz QYSSYSNWACYZCZ-CABCVRRESA-N 2 0 347.425 2.251 10 0 EEAERP O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCCc1ccccc1 ZINC000420412456 467399197 /nfs/dbraw/zinc/39/91/97/467399197.db2.gz ZDNPQHFCAKTAFR-MOPGFXCFSA-N 2 0 329.488 2.199 10 0 EEAERP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1cccn1 ZINC000390897417 467416170 /nfs/dbraw/zinc/41/61/70/467416170.db2.gz OIULBEHRTNXPHV-RAFMOHDBSA-N 2 0 340.471 2.029 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000397625444 467443652 /nfs/dbraw/zinc/44/36/52/467443652.db2.gz XYNQBZVKOZUSFV-MRXNPFEDSA-N 2 0 328.460 2.098 10 0 EEAERP COc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000399020434 467451869 /nfs/dbraw/zinc/45/18/69/467451869.db2.gz DSEQBSSNDPMRJC-UHFFFAOYSA-N 2 0 347.484 2.268 10 0 EEAERP c1cn(-c2csc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)c2)cn1 ZINC000415060338 467478419 /nfs/dbraw/zinc/47/84/19/467478419.db2.gz WKHKGUCAKQZTFL-UHFFFAOYSA-N 2 0 345.516 2.240 10 0 EEAERP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000415061881 467478553 /nfs/dbraw/zinc/47/85/53/467478553.db2.gz YZQJHMZVSLLHOY-GPJFCIFZSA-N 2 0 343.515 2.359 10 0 EEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000439213654 467566610 /nfs/dbraw/zinc/56/66/10/467566610.db2.gz MDZSKZJJNODPEF-SOLBZPMBSA-N 2 0 339.524 2.159 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000459103452 467950354 /nfs/dbraw/zinc/95/03/54/467950354.db2.gz LJVNDTUUVHSTOF-CRAIPNDOSA-N 2 0 336.524 2.375 10 0 EEAERP c1cnn(-c2cccc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000530241292 467967171 /nfs/dbraw/zinc/96/71/71/467967171.db2.gz PPPOLOKIWVJQHT-HXUWFJFHSA-N 2 0 340.471 2.463 10 0 EEAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000519601162 468180388 /nfs/dbraw/zinc/18/03/88/468180388.db2.gz NKYDVHJWCWIEPI-MPGHIAIKSA-N 2 0 330.476 2.019 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000567853252 468223915 /nfs/dbraw/zinc/22/39/15/468223915.db2.gz KVCILIMRXYLSCS-UHFFFAOYSA-N 2 0 329.448 2.254 10 0 EEAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000582655493 468573875 /nfs/dbraw/zinc/57/38/75/468573875.db2.gz ONBMKKBRDBNCNW-QBUWPKIASA-N 2 0 342.487 2.233 10 0 EEAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(I)cc1 ZINC000600711148 468628893 /nfs/dbraw/zinc/62/88/93/468628893.db2.gz RGSQCQNMHJNTCM-NSHDSACASA-N 2 0 348.228 2.307 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)[C@H](C)C1 ZINC000592393722 468689856 /nfs/dbraw/zinc/68/98/56/468689856.db2.gz KIDUCNPDRBCPQY-HZPDHXFCSA-N 2 0 340.508 2.445 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594963450 468732188 /nfs/dbraw/zinc/73/21/88/468732188.db2.gz VOVNLLJUOALBJJ-LPXYKDPNSA-N 2 0 332.473 2.355 10 0 EEAERP CN1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1=O ZINC000571442239 468790289 /nfs/dbraw/zinc/79/02/89/468790289.db2.gz XXOKWORUFZUAOJ-ZWKOTPCHSA-N 2 0 327.472 2.394 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000561128778 468865566 /nfs/dbraw/zinc/86/55/66/468865566.db2.gz ODJWKCGXJZRCHG-DOTOQJQBSA-N 2 0 336.505 2.136 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000584709430 468917566 /nfs/dbraw/zinc/91/75/66/468917566.db2.gz FPMYEPGBFVAGFZ-ATLSCFEFSA-N 2 0 330.476 2.119 10 0 EEAERP C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000614964407 469108262 /nfs/dbraw/zinc/10/82/62/469108262.db2.gz ZGDDAPUQABOAMV-LJQANCHMSA-N 2 0 341.499 2.453 10 0 EEAERP [NH3+]C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1CCCCC1 ZINC000563093485 469168145 /nfs/dbraw/zinc/16/81/45/469168145.db2.gz SEIVDBYJWCKCOB-ROUUACIJSA-N 2 0 330.476 2.162 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000625801065 469393276 /nfs/dbraw/zinc/39/32/76/469393276.db2.gz AWQVMSAXUPHIQY-DSLXNQLJSA-N 2 0 329.488 2.273 10 0 EEAERP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623429302 469654509 /nfs/dbraw/zinc/65/45/09/469654509.db2.gz XACPNRRIMMPKQN-QAPCUYQASA-N 2 0 342.487 2.287 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000626916430 469753660 /nfs/dbraw/zinc/75/36/60/469753660.db2.gz CXZNQUBCSZZHFY-KSZLIROESA-N 2 0 330.476 2.263 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000626931946 469760072 /nfs/dbraw/zinc/76/00/72/469760072.db2.gz OJHOVQGHWXYEHD-TXPKVOOTSA-N 2 0 344.503 2.468 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000627020003 469791932 /nfs/dbraw/zinc/79/19/32/469791932.db2.gz ZEVLFOMKMUSHIQ-QFBILLFUSA-N 2 0 344.503 2.468 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000627158027 469828131 /nfs/dbraw/zinc/82/81/31/469828131.db2.gz HDXZMLZWVQBHMY-CEXWTWQISA-N 2 0 344.503 2.085 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000627167330 469831619 /nfs/dbraw/zinc/83/16/19/469831619.db2.gz AYPXXAZMQVRHEK-ZWKOTPCHSA-N 2 0 332.492 2.209 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000617918748 469836867 /nfs/dbraw/zinc/83/68/67/469836867.db2.gz LJLWBALZKNXTDB-MRXNPFEDSA-N 2 0 345.491 2.044 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C[NH2+]1 ZINC000627195031 469840642 /nfs/dbraw/zinc/84/06/42/469840642.db2.gz IUNARJCDLRVRQT-GDBMZVCRSA-N 2 0 336.455 2.039 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000624177181 469865799 /nfs/dbraw/zinc/86/57/99/469865799.db2.gz ZINWIAHNWSGRGI-BQJUDKOJSA-N 2 0 343.515 2.350 10 0 EEAERP C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000618193996 469917577 /nfs/dbraw/zinc/91/75/77/469917577.db2.gz LYHKYCWAIDOJIC-KRWDZBQOSA-N 2 0 343.515 2.350 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000618194901 469918633 /nfs/dbraw/zinc/91/86/33/469918633.db2.gz NBRNFCNNHRGXSC-KRWDZBQOSA-N 2 0 333.451 2.058 10 0 EEAERP C[NH+]1CCC(N2CCC([NH2+]Cc3ccnn3CC3CCC3)CC2)CC1 ZINC000631057317 470058856 /nfs/dbraw/zinc/05/88/56/470058856.db2.gz UDURGYTZTSUPAF-UHFFFAOYSA-N 2 0 345.535 2.331 10 0 EEAERP O[C@@]1(CNC2CC([NH+]3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712873 470284642 /nfs/dbraw/zinc/28/46/42/470284642.db2.gz NHZLXVUQYFSMKI-XVAXZDLZSA-N 2 0 343.515 2.230 10 0 EEAERP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765919 470301502 /nfs/dbraw/zinc/30/15/02/470301502.db2.gz JVIHPGYLSYDLLA-DYXWJJEUSA-N 2 0 341.499 2.405 10 0 EEAERP CC1(C)C[NH2+][C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000645964056 470476632 /nfs/dbraw/zinc/47/66/32/470476632.db2.gz MGZYKQWMOLHOBE-HQSKLWIPSA-N 2 0 327.472 2.296 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000649342742 470552540 /nfs/dbraw/zinc/55/25/40/470552540.db2.gz MHZLUOQJDJSBID-QZTJIDSGSA-N 2 0 329.488 2.498 10 0 EEAERP COc1cccc([C@H]2[C@@H](NC(=O)CCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296534 470594615 /nfs/dbraw/zinc/59/46/15/470594615.db2.gz UPPJIFCIZUZAEW-HKUYNNGSSA-N 2 0 331.460 2.218 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000646911551 470772890 /nfs/dbraw/zinc/77/28/90/470772890.db2.gz AMBQMWZOLVELNO-RTBURBONSA-N 2 0 327.472 2.449 10 0 EEAERP Cn1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cccnc2)n1 ZINC000647480174 470911975 /nfs/dbraw/zinc/91/19/75/470911975.db2.gz DRCYZAIWXIVHHY-WMZOPIPTSA-N 2 0 325.460 2.446 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)C1 ZINC000650715344 470948889 /nfs/dbraw/zinc/94/88/89/470948889.db2.gz YSROKJRXYKLGFR-WMZOPIPTSA-N 2 0 347.478 2.420 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000650715258 470949053 /nfs/dbraw/zinc/94/90/53/470949053.db2.gz WFLLCFGJQHBLNV-UYAOXDASSA-N 2 0 341.455 2.456 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000647726478 470969446 /nfs/dbraw/zinc/96/94/46/470969446.db2.gz SAPHYPAMOAQDHL-UHFFFAOYSA-N 2 0 345.487 2.185 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncc(Br)cn1 ZINC000647798684 470987085 /nfs/dbraw/zinc/98/70/85/470987085.db2.gz VMNDBDLKGQMIBN-SBFPOUOMSA-N 2 0 325.254 2.278 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000647902005 471012666 /nfs/dbraw/zinc/01/26/66/471012666.db2.gz YNDUOSXRUXSGAQ-DOTOQJQBSA-N 2 0 347.528 2.487 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654551655 471067101 /nfs/dbraw/zinc/06/71/01/471067101.db2.gz UWVIZSKDQAHHOY-ZGUYJTEBSA-N 2 0 334.508 2.319 10 0 EEAERP CCc1nccn1[C@@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648199182 471120895 /nfs/dbraw/zinc/12/08/95/471120895.db2.gz BFIQKZUAUDYZAE-YOEHRIQHSA-N 2 0 326.444 2.481 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652125328 471240414 /nfs/dbraw/zinc/24/04/14/471240414.db2.gz NZJDBDPWEFXCJQ-UHFFFAOYSA-N 2 0 344.503 2.388 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652148058 471244744 /nfs/dbraw/zinc/24/47/44/471244744.db2.gz LXOINIRIFBEMFG-ZIAGYGMSSA-N 2 0 336.455 2.347 10 0 EEAERP C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652176467 471250871 /nfs/dbraw/zinc/25/08/71/471250871.db2.gz HFVMMDLMGJZFFZ-AEFFLSMTSA-N 2 0 344.503 2.325 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000641247944 471252165 /nfs/dbraw/zinc/25/21/65/471252165.db2.gz SANKUMMMOJSNKJ-WMZOPIPTSA-N 2 0 336.524 2.282 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000652279309 471266617 /nfs/dbraw/zinc/26/66/17/471266617.db2.gz SZBONALNUJEEGU-KRWDZBQOSA-N 2 0 348.466 2.444 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000652289212 471267504 /nfs/dbraw/zinc/26/75/04/471267504.db2.gz RIIBQFBEALZLIT-UHFFFAOYSA-N 2 0 332.492 2.327 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000652291207 471267946 /nfs/dbraw/zinc/26/79/46/471267946.db2.gz JKABCLDZXYORSW-IBGZPJMESA-N 2 0 330.476 2.033 10 0 EEAERP CCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663445561 471381356 /nfs/dbraw/zinc/38/13/56/471381356.db2.gz PQFARGYKWGUXOL-MOPGFXCFSA-N 2 0 346.519 2.285 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000663507179 471405084 /nfs/dbraw/zinc/40/50/84/471405084.db2.gz ZMCYAILZRQBFAY-LJQANCHMSA-N 2 0 329.488 2.124 10 0 EEAERP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CS1 ZINC000655730896 471458701 /nfs/dbraw/zinc/45/87/01/471458701.db2.gz VSVOCTNAAWDRRF-PBHICJAKSA-N 2 0 335.517 2.352 10 0 EEAERP C[C@@H]1C[C@@H](CCNC(=O)NC/C=C/C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000669543038 471543208 /nfs/dbraw/zinc/54/32/08/471543208.db2.gz ZTDJPMTZHFUWKF-WXFDERKXSA-N 2 0 330.476 2.101 10 0 EEAERP C[NH+](C)CCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669757896 471607739 /nfs/dbraw/zinc/60/77/39/471607739.db2.gz LZRQXNRRSWHTOJ-OAHLLOKOSA-N 2 0 333.480 2.060 10 0 EEAERP CCN(C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664069224 471627950 /nfs/dbraw/zinc/62/79/50/471627950.db2.gz AYZYZBJDUMTLLQ-SJLPKXTDSA-N 2 0 332.492 2.243 10 0 EEAERP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000659473621 471646437 /nfs/dbraw/zinc/64/64/37/471646437.db2.gz LFXMDUNEHXVFHI-UBDQQSCGSA-N 2 0 330.476 2.201 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659489993 471652879 /nfs/dbraw/zinc/65/28/79/471652879.db2.gz MFKPTUMESMYUIA-QZTJIDSGSA-N 2 0 332.492 2.181 10 0 EEAERP [NH3+]C1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCCCCC1 ZINC000659505228 471660621 /nfs/dbraw/zinc/66/06/21/471660621.db2.gz JLBPCFPQHFZOBO-QZTJIDSGSA-N 2 0 344.503 2.483 10 0 EEAERP Cc1c(Cl)cncc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000667159529 471675350 /nfs/dbraw/zinc/67/53/50/471675350.db2.gz FDPVUSJUHKFAGW-LBPRGKRZSA-N 2 0 341.887 2.437 10 0 EEAERP [NH3+][C@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000656466375 471724816 /nfs/dbraw/zinc/72/48/16/471724816.db2.gz DULVDSOBNOPSQB-OCCSQVGLSA-N 2 0 336.237 2.013 10 0 EEAERP C[C@@]12COC[C@]1(C)C[NH+](C/C=C/C[N@H+]1C[C@]3(C)COC[C@]3(C)C1)C2 ZINC000661492867 471777319 /nfs/dbraw/zinc/77/73/19/471777319.db2.gz RUOIRLGXXVJFPH-MCBGNAOOSA-N 2 0 334.504 2.259 10 0 EEAERP CC(C)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000654372941 471931742 /nfs/dbraw/zinc/93/17/42/471931742.db2.gz XNOWJDQWYNVKOR-KSZLIROESA-N 2 0 338.540 2.382 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000668330679 472087679 /nfs/dbraw/zinc/08/76/79/472087679.db2.gz XERJMZVVNIMCQB-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP CCN(C(=O)[C@@H]([NH3+])COC(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501574 472130783 /nfs/dbraw/zinc/13/07/83/472130783.db2.gz CMYSFBZLEUNRMP-UHOSZYNNSA-N 2 0 347.503 2.423 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662873092 472286752 /nfs/dbraw/zinc/28/67/52/472286752.db2.gz VDAOTKNOWOBBRI-GOSISDBHSA-N 2 0 341.499 2.423 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000452385061 485479131 /nfs/dbraw/zinc/47/91/31/485479131.db2.gz CPFCFWUMDJLZMP-RTBURBONSA-N 2 0 347.503 2.033 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674047297 485624397 /nfs/dbraw/zinc/62/43/97/485624397.db2.gz KCDQZDNWADAESV-PMACEKPBSA-N 2 0 333.520 2.143 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000600757380 485626282 /nfs/dbraw/zinc/62/62/82/485626282.db2.gz VRVXIXCPOPPNQW-HNNXBMFYSA-N 2 0 338.473 2.125 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000684429856 485880704 /nfs/dbraw/zinc/88/07/04/485880704.db2.gz PYHINXLFOFTGKU-HXUWFJFHSA-N 2 0 348.487 2.397 10 0 EEAERP C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C[NH+](C)C ZINC000675262898 485941348 /nfs/dbraw/zinc/94/13/48/485941348.db2.gz KTQISCXFAXHKQH-ZDUSSCGKSA-N 2 0 330.436 2.365 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000675892048 486090716 /nfs/dbraw/zinc/09/07/16/486090716.db2.gz WLAVCJJTPGOSIG-WMLDXEAASA-N 2 0 340.431 2.215 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000685431816 486118478 /nfs/dbraw/zinc/11/84/78/486118478.db2.gz ZPXOHBJWURXQHH-HNNXBMFYSA-N 2 0 349.442 2.328 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000676927780 486344139 /nfs/dbraw/zinc/34/41/39/486344139.db2.gz NNFRZADVYOPKNX-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000415930497 528355186 /nfs/dbraw/zinc/35/51/86/528355186.db2.gz KMYLAEHBRSMVKH-INIZCTEOSA-N 2 0 348.491 2.419 10 0 EEAERP OCC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000398969403 576176123 /nfs/dbraw/zinc/17/61/23/576176123.db2.gz URYDLPBJTPNLGP-SEJPIABJSA-N 2 0 343.515 2.228 10 0 EEAERP C[NH+](C)CCCNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728445236 576501478 /nfs/dbraw/zinc/50/14/78/576501478.db2.gz HMHROGUNAGBGMA-KRWDZBQOSA-N 2 0 340.581 2.401 10 0 EEAERP CN1CCC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000775392555 577436496 /nfs/dbraw/zinc/43/64/96/577436496.db2.gz JPFYAIDLUVDUFK-IJEWVQPXSA-N 2 0 342.530 2.298 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)C(=O)NCC[NH+](C)C ZINC000777287780 577476123 /nfs/dbraw/zinc/47/61/23/577476123.db2.gz OITGDASMCYACNM-QAPCUYQASA-N 2 0 347.503 2.365 10 0 EEAERP C[NH+](C)CCNC(=S)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741499137 578120433 /nfs/dbraw/zinc/12/04/33/578120433.db2.gz RAOWIQDTFLXCRI-HIFRSBDPSA-N 2 0 340.562 2.157 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383917559 578266295 /nfs/dbraw/zinc/26/62/95/578266295.db2.gz QGGUSTDAUGARST-DFQSSKMNSA-N 2 0 331.504 2.207 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000896109633 684844638 /nfs/dbraw/zinc/84/46/38/684844638.db2.gz KDGVIYGWPZFRLQ-WMZOPIPTSA-N 2 0 333.476 2.287 10 0 EEAERP c1cc(N2CCC([NH2+]Cc3nc4c(s3)COCC4)CC2)cc[nH+]1 ZINC000897238151 686304766 /nfs/dbraw/zinc/30/47/66/686304766.db2.gz LWCQEBLPXYUIDG-UHFFFAOYSA-N 2 0 330.457 2.369 10 0 EEAERP C[NH2+][C@@H](CC(C)C)c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000904104419 694293179 /nfs/dbraw/zinc/29/31/79/694293179.db2.gz QZMMHUXQHZQJOK-INIZCTEOSA-N 2 0 344.463 2.190 10 0 EEAERP c1nc2ccccc2n1-c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000904398748 694388752 /nfs/dbraw/zinc/38/87/52/694388752.db2.gz RZVBXFDBGLYURD-UHFFFAOYSA-N 2 0 335.455 2.020 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000905296039 694589696 /nfs/dbraw/zinc/58/96/96/694589696.db2.gz MBUCPBVRKHCZCR-ZIAGYGMSSA-N 2 0 344.381 2.492 10 0 EEAERP Cc1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001485687245 1191897570 /nfs/dbraw/zinc/89/75/70/1191897570.db2.gz XQLJVSVGNHCXRA-DZKIICNBSA-N 2 0 338.521 2.022 10 0 EEAERP C[C@H](CCC[NH2+]C[C@@H]1CCCOC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001485740182 1191917098 /nfs/dbraw/zinc/91/70/98/1191917098.db2.gz IUBROHPJAQZIKU-AEFFLSMTSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485732336 1191922387 /nfs/dbraw/zinc/92/23/87/1191922387.db2.gz FYOWEZGVGSLUJG-AWEZNQCLSA-N 2 0 336.480 2.232 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cc(C)on1 ZINC001485752240 1191932955 /nfs/dbraw/zinc/93/29/55/1191932955.db2.gz UZDZONXYJSQNBP-PBHICJAKSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cncc(C[NH2+][C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)c1 ZINC001485785687 1191951682 /nfs/dbraw/zinc/95/16/82/1191951682.db2.gz LFKQQIANNVRMPU-BHIYHBOVSA-N 2 0 346.519 2.351 10 0 EEAERP O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001272726228 1192359753 /nfs/dbraw/zinc/35/97/53/1192359753.db2.gz BKKHOPZGEYPSML-XFKLEWRWSA-N 2 0 339.911 2.345 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001272735032 1192408798 /nfs/dbraw/zinc/40/87/98/1192408798.db2.gz RKCQNTWNBSTKEH-ULQDDVLXSA-N 2 0 327.488 2.485 10 0 EEAERP O=C(Cn1ccnc1)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001486167442 1193709608 /nfs/dbraw/zinc/70/96/08/1193709608.db2.gz PXPRWWNHYGIUME-IHRRRGAJSA-N 2 0 344.381 2.052 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001266561736 1176849573 /nfs/dbraw/zinc/84/95/73/1176849573.db2.gz DLXQGKNSACQUJQ-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001670708201 1177022693 /nfs/dbraw/zinc/02/26/93/1177022693.db2.gz XBVRUIUAHNTKKI-SFHVURJKSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001266798447 1177449956 /nfs/dbraw/zinc/44/99/56/1177449956.db2.gz QXEUMIVYGSLMEL-UHFFFAOYSA-N 2 0 333.476 2.118 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001266877136 1177686543 /nfs/dbraw/zinc/68/65/43/1177686543.db2.gz QVYGNFVNHGSGLO-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691321654 1177908803 /nfs/dbraw/zinc/90/88/03/1177908803.db2.gz GMUKICFZGFKTIC-GOSISDBHSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001691346047 1177941560 /nfs/dbraw/zinc/94/15/60/1177941560.db2.gz MTKDGRHZUFYUBA-GOSISDBHSA-N 2 0 348.491 2.246 10 0 EEAERP CN(CC[NH2+]CCCc1ccsc1)C(=O)C12CCC[NH+]1CCC2 ZINC001691377481 1177984003 /nfs/dbraw/zinc/98/40/03/1177984003.db2.gz GUMOGNUBSBAALI-UHFFFAOYSA-N 2 0 335.517 2.357 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001267063995 1178175322 /nfs/dbraw/zinc/17/53/22/1178175322.db2.gz BKFTYWXIKUJQQL-QNFQMBCCSA-N 2 0 341.499 2.480 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001267069760 1178185216 /nfs/dbraw/zinc/18/52/16/1178185216.db2.gz CWZUTPPFNZGFGU-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001267069720 1178186500 /nfs/dbraw/zinc/18/65/00/1178186500.db2.gz CBXZTZSYHRSQIV-KRWDZBQOSA-N 2 0 337.533 2.459 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1C ZINC001267109358 1178264126 /nfs/dbraw/zinc/26/41/26/1178264126.db2.gz GTHXTWOBUNDAIT-HZPDHXFCSA-N 2 0 347.503 2.424 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCOC(C)C)C1)[NH+](C)C ZINC001267113794 1178272431 /nfs/dbraw/zinc/27/24/31/1178272431.db2.gz SFBJTXGNQYZTRN-DLBZAZTESA-N 2 0 327.513 2.065 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267177027 1178424619 /nfs/dbraw/zinc/42/46/19/1178424619.db2.gz FHMRRBGYLLYPFS-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1ccc(Cl)nc1 ZINC001267250189 1178614988 /nfs/dbraw/zinc/61/49/88/1178614988.db2.gz IMZAGOCKLZNALS-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CC1(Cl)Cl)[NH+](C)C ZINC001691465473 1178895019 /nfs/dbraw/zinc/89/50/19/1178895019.db2.gz VUXYBDAJDGTDIU-QWHCGFSZSA-N 2 0 338.323 2.205 10 0 EEAERP CN(CC[NH2+]Cc1ccccn1)C(=O)c1ccccc1CC[NH+](C)C ZINC001267408641 1178981435 /nfs/dbraw/zinc/98/14/35/1178981435.db2.gz JXCLVXQKOZBFRP-UHFFFAOYSA-N 2 0 340.471 2.048 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456169 1179038527 /nfs/dbraw/zinc/03/85/27/1179038527.db2.gz NQKKNZQKHDMTQA-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001267571110 1179431377 /nfs/dbraw/zinc/43/13/77/1179431377.db2.gz IQMIXVZWNAGEFL-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481072015 1179675583 /nfs/dbraw/zinc/67/55/83/1179675583.db2.gz VFDWQWRXBNMXIR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267685718 1180160884 /nfs/dbraw/zinc/16/08/84/1180160884.db2.gz HKYCZEGLJXQFHG-ONEGZZNKSA-N 2 0 339.443 2.285 10 0 EEAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001267706729 1180224483 /nfs/dbraw/zinc/22/44/83/1180224483.db2.gz QLAGNFNMXJYVIT-MPGHIAIKSA-N 2 0 345.491 2.265 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001481228388 1180359806 /nfs/dbraw/zinc/35/98/06/1180359806.db2.gz BQBKLTSOFBPKIC-INIZCTEOSA-N 2 0 338.521 2.181 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001481231208 1180362368 /nfs/dbraw/zinc/36/23/68/1180362368.db2.gz SLOCLIUBQGZRCE-KXBFYZLASA-N 2 0 345.487 2.146 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCOc2ccccc2C)C1)[NH+](C)C ZINC001267744967 1180376126 /nfs/dbraw/zinc/37/61/26/1180376126.db2.gz CDORORNFZNVEEF-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1N(C)C ZINC001481236573 1180384788 /nfs/dbraw/zinc/38/47/88/1180384788.db2.gz SXVFXJHCVODALK-IBGZPJMESA-N 2 0 346.519 2.175 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001267909551 1180744049 /nfs/dbraw/zinc/74/40/49/1180744049.db2.gz TVFTUHLHHYINLW-UHFFFAOYSA-N 2 0 345.447 2.057 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC001481302982 1180965785 /nfs/dbraw/zinc/96/57/85/1180965785.db2.gz IMLJLWLQUXNYKF-RBUKOAKNSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)C23CCC[NH+]2CCC3)C(C)C)on1 ZINC001481351618 1181096017 /nfs/dbraw/zinc/09/60/17/1181096017.db2.gz GZJJGZPAJFWLJL-UHFFFAOYSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268040690 1181412775 /nfs/dbraw/zinc/41/27/75/1181412775.db2.gz UMVHAKRYSRTFBC-HOTGVXAUSA-N 2 0 325.472 2.382 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481462463 1181462747 /nfs/dbraw/zinc/46/27/47/1181462747.db2.gz BXFOIVOTEOZJDS-HKUYNNGSSA-N 2 0 329.488 2.275 10 0 EEAERP C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCCF)C1)[NH+]1CCCCCC1 ZINC001481500861 1181576581 /nfs/dbraw/zinc/57/65/81/1181576581.db2.gz SGFPLUKSPKOEKH-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001268084461 1181701209 /nfs/dbraw/zinc/70/12/09/1181701209.db2.gz NDBGJBOQHFWBOY-ZDUSSCGKSA-N 2 0 343.874 2.410 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001268160727 1181872981 /nfs/dbraw/zinc/87/29/81/1181872981.db2.gz LHHYRQNQEUJAFJ-WBVHZDCISA-N 2 0 336.480 2.184 10 0 EEAERP C[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C[NH2+]CCF ZINC001268189052 1181974162 /nfs/dbraw/zinc/97/41/62/1181974162.db2.gz KMECAZRRIKXXJT-PBHICJAKSA-N 2 0 345.422 2.067 10 0 EEAERP Cc1c(C(=O)N(C)CC[N@@H+](C)CCOCC(C)C)ccc2c[nH+]cn21 ZINC001268242158 1182065249 /nfs/dbraw/zinc/06/52/49/1182065249.db2.gz ITWLUYTXSOLGND-UHFFFAOYSA-N 2 0 346.475 2.319 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268365696 1182339961 /nfs/dbraw/zinc/33/99/61/1182339961.db2.gz GWGKQJSIILMOLJ-GZBFAFLISA-N 2 0 338.883 2.060 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369198 1182355443 /nfs/dbraw/zinc/35/54/43/1182355443.db2.gz SLBOBJMINFJUJG-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268425092 1182597707 /nfs/dbraw/zinc/59/77/07/1182597707.db2.gz YSGJQUJVBSBONJ-OCCSQVGLSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]CCCc1cccc(F)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001268493035 1182991572 /nfs/dbraw/zinc/99/15/72/1182991572.db2.gz PZYCPKZSFXFDCZ-UHFFFAOYSA-N 2 0 347.478 2.292 10 0 EEAERP C[C@H](C(=O)N(CCO)CC[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001279848913 1183233926 /nfs/dbraw/zinc/23/39/26/1183233926.db2.gz VTKLJYRXZWWVLL-QGZVFWFLSA-N 2 0 341.540 2.098 10 0 EEAERP C[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C[NH2+]CC1CCCC1 ZINC001482120549 1183357854 /nfs/dbraw/zinc/35/78/54/1183357854.db2.gz AHMCUHIPGKUKDQ-OAHLLOKOSA-N 2 0 341.459 2.413 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001268625715 1183549246 /nfs/dbraw/zinc/54/92/46/1183549246.db2.gz KCMOYALCXRIAJM-HKVCONOFSA-N 2 0 341.499 2.320 10 0 EEAERP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001268761447 1183681807 /nfs/dbraw/zinc/68/18/07/1183681807.db2.gz BLPGLSDRIZZYOS-HZPDHXFCSA-N 2 0 325.472 2.239 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001268877058 1183785460 /nfs/dbraw/zinc/78/54/60/1183785460.db2.gz UDTPWHXKGAJIMN-SJORKVTESA-N 2 0 348.491 2.246 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268880874 1183789214 /nfs/dbraw/zinc/78/92/14/1183789214.db2.gz DUZOUBBJMIZMJC-UHFFFAOYSA-N 2 0 344.459 2.297 10 0 EEAERP CCc1ccccc1CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268947060 1183852708 /nfs/dbraw/zinc/85/27/08/1183852708.db2.gz ZPFWOZKGIMTNRP-LJQANCHMSA-N 2 0 331.504 2.181 10 0 EEAERP Cc1ccccc1OCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269422683 1184254713 /nfs/dbraw/zinc/25/47/13/1184254713.db2.gz KJSMJTHVESBSEL-UHFFFAOYSA-N 2 0 345.487 2.097 10 0 EEAERP CC[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472176 1184291907 /nfs/dbraw/zinc/29/19/07/1184291907.db2.gz WMEYPWVIVIDFPA-YJBOKZPZSA-N 2 0 345.503 2.108 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CC1 ZINC001269544826 1184368632 /nfs/dbraw/zinc/36/86/32/1184368632.db2.gz UIAAVTZYVXBMBD-SFHVURJKSA-N 2 0 345.487 2.178 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001270726547 1185350293 /nfs/dbraw/zinc/35/02/93/1185350293.db2.gz GVIMPAVTQNWFMH-JFIYKMOQSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC[C@H](C)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001482387886 1185593688 /nfs/dbraw/zinc/59/36/88/1185593688.db2.gz SVEQCCKMWWXMBV-HOTGVXAUSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCCCF ZINC001482435912 1185711277 /nfs/dbraw/zinc/71/12/77/1185711277.db2.gz SLJXBJYDAVEGBP-JKSUJKDBSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCOCC2)C1 ZINC001271063881 1185852958 /nfs/dbraw/zinc/85/29/58/1185852958.db2.gz FQUSOKOKWNXDEW-KRWDZBQOSA-N 2 0 349.519 2.084 10 0 EEAERP CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001482495407 1186396624 /nfs/dbraw/zinc/39/66/24/1186396624.db2.gz OVQHSDPYTBSLPY-WMZOPIPTSA-N 2 0 349.523 2.075 10 0 EEAERP COCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001482508582 1186426136 /nfs/dbraw/zinc/42/61/36/1186426136.db2.gz CEYXOQJUSPTBLE-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC001272045694 1187255659 /nfs/dbraw/zinc/25/56/59/1187255659.db2.gz WNBWCHYLQMPZLO-SJORKVTESA-N 2 0 325.472 2.287 10 0 EEAERP C[C@@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001482617706 1187427018 /nfs/dbraw/zinc/42/70/18/1187427018.db2.gz PJPBXSGPCYWLQT-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001482699973 1187678051 /nfs/dbraw/zinc/67/80/51/1187678051.db2.gz XVAMSTZTLGSPFN-OALUTQOASA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001482840125 1187759551 /nfs/dbraw/zinc/75/95/51/1187759551.db2.gz RHWIVJIZPUUDSD-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001482865169 1187784907 /nfs/dbraw/zinc/78/49/07/1187784907.db2.gz GJIJUGPBWNZJOX-OAHLLOKOSA-N 2 0 335.467 2.460 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1C ZINC001482887413 1187803776 /nfs/dbraw/zinc/80/37/76/1187803776.db2.gz BJAZKYDKPNHCTH-WBVHZDCISA-N 2 0 347.503 2.330 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482889740 1187816890 /nfs/dbraw/zinc/81/68/90/1187816890.db2.gz RYDTWPHRUZLVJJ-IUODEOHRSA-N 2 0 326.510 2.022 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001483053048 1188296536 /nfs/dbraw/zinc/29/65/36/1188296536.db2.gz BLEHJQCLZGESIO-DSYXLKISSA-N 2 0 325.403 2.240 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483198751 1189094797 /nfs/dbraw/zinc/09/47/97/1189094797.db2.gz YSIWNGCVSOCXQP-CRAIPNDOSA-N 2 0 347.503 2.271 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001485839541 1193610713 /nfs/dbraw/zinc/61/07/13/1193610713.db2.gz ZLZUUAKZBRMYGT-GOSISDBHSA-N 2 0 335.467 2.493 10 0 EEAERP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001483228322 1189540341 /nfs/dbraw/zinc/54/03/41/1189540341.db2.gz FJCJVBFULOQYGR-KXBFYZLASA-N 2 0 329.488 2.185 10 0 EEAERP COc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)ccc1C ZINC001409382037 1189605170 /nfs/dbraw/zinc/60/51/70/1189605170.db2.gz PKCMJJRYCMOUIN-HZPDHXFCSA-N 2 0 347.503 2.471 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1conc1CC ZINC001485881887 1193628318 /nfs/dbraw/zinc/62/83/18/1193628318.db2.gz DPIXDQJBSYOTQS-WMLDXEAASA-N 2 0 336.480 2.048 10 0 EEAERP Cc1oc(-c2ccco2)nc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001409397184 1189621690 /nfs/dbraw/zinc/62/16/90/1189621690.db2.gz KMZAWJDLPDTWLY-CHWSQXEVSA-N 2 0 348.447 2.178 10 0 EEAERP CC(C)c1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CN(C)CCO2)cc1 ZINC001409501330 1189885800 /nfs/dbraw/zinc/88/58/00/1189885800.db2.gz CRAYAQNAKDNCIT-APWZRJJASA-N 2 0 347.503 2.077 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nc3ccccc3o2)[C@H]1C ZINC001486091449 1193678803 /nfs/dbraw/zinc/67/88/03/1193678803.db2.gz IKBXKCFDCWDUJR-CABCVRRESA-N 2 0 344.459 2.249 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483444452 1190482426 /nfs/dbraw/zinc/48/24/26/1190482426.db2.gz WEOSMTZICSCQNA-HZPDHXFCSA-N 2 0 348.491 2.089 10 0 EEAERP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483474400 1190495984 /nfs/dbraw/zinc/49/59/84/1190495984.db2.gz JTDPEBFKXWKZCY-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001483509368 1190523741 /nfs/dbraw/zinc/52/37/41/1190523741.db2.gz JWRSVNOLKCCAOB-DZGCQCFKSA-N 2 0 339.430 2.416 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001691636915 1190744810 /nfs/dbraw/zinc/74/48/10/1190744810.db2.gz PEVJOJYTZZWSBF-SFHVURJKSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001483683407 1190745435 /nfs/dbraw/zinc/74/54/35/1190745435.db2.gz ZLEHDQYMZFZGCP-UYAOXDASSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566090 1190881191 /nfs/dbraw/zinc/88/11/91/1190881191.db2.gz RSVFSWIWMKUKQD-IRXDYDNUSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1(N[C@H](C)c2cnccn2)CC1 ZINC001483773402 1191011287 /nfs/dbraw/zinc/01/12/87/1191011287.db2.gz JKSSLEAUXPVHKY-NVXWUHKLSA-N 2 0 345.491 2.039 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]Cc3cncs3)CC2)CC1 ZINC001483780747 1191025213 /nfs/dbraw/zinc/02/52/13/1191025213.db2.gz IBKSNAOLQSMHCX-UHFFFAOYSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)co1 ZINC001484121884 1191221789 /nfs/dbraw/zinc/22/17/89/1191221789.db2.gz KZLAQAFGMOPBIK-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)cn1)C2 ZINC001484318855 1191302499 /nfs/dbraw/zinc/30/24/99/1191302499.db2.gz SOKRDCZMOQPNQW-WBAXXEDZSA-N 2 0 348.466 2.032 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)sn1 ZINC001484347518 1191313205 /nfs/dbraw/zinc/31/32/05/1191313205.db2.gz ORLMJIXPVNMASO-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccc(F)cn1 ZINC001484464092 1191368671 /nfs/dbraw/zinc/36/86/71/1191368671.db2.gz JEXWOUKGEUOUGX-ROUUACIJSA-N 2 0 348.466 2.128 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1ccnc1 ZINC001484467652 1191372444 /nfs/dbraw/zinc/37/24/44/1191372444.db2.gz MYTQIWIGPZPNPL-MSOLQXFVSA-N 2 0 348.491 2.155 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484536055 1191403554 /nfs/dbraw/zinc/40/35/54/1191403554.db2.gz NNQOPRCGSKRGJR-HNNXBMFYSA-N 2 0 336.480 2.078 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484546852 1191408491 /nfs/dbraw/zinc/40/84/91/1191408491.db2.gz KQSWINXLKHLEJA-DLBZAZTESA-N 2 0 349.544 2.461 10 0 EEAERP O=C(NCC1([NH2+]CCc2ccccc2)CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001484634772 1191446383 /nfs/dbraw/zinc/44/63/83/1191446383.db2.gz VPKOQYXIOFAWNX-IBGZPJMESA-N 2 0 341.499 2.199 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCOc3ccccc3)CCC2)C1 ZINC001484662597 1191462602 /nfs/dbraw/zinc/46/26/02/1191462602.db2.gz MUGRYVIHWZBKJI-QGZVFWFLSA-N 2 0 345.487 2.036 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCOCc2ccccc2)CC1 ZINC001484723313 1191484504 /nfs/dbraw/zinc/48/45/04/1191484504.db2.gz NEXIFWIOBUIHHW-LJQANCHMSA-N 2 0 347.503 2.126 10 0 EEAERP Cc1cc(C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C)sn1 ZINC001484769318 1191512518 /nfs/dbraw/zinc/51/25/18/1191512518.db2.gz SCJAJKWHMHCBBA-UHFFFAOYSA-N 2 0 326.510 2.072 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001484935946 1191579989 /nfs/dbraw/zinc/57/99/89/1191579989.db2.gz CTLQXMAMCYCHJP-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485225251 1191697116 /nfs/dbraw/zinc/69/71/16/1191697116.db2.gz HZYWXNNTEPDCOB-OLZOCXBDSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1nccs1 ZINC001485227691 1191698081 /nfs/dbraw/zinc/69/80/81/1191698081.db2.gz WXULVFXUGKHUMA-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001485229811 1191698743 /nfs/dbraw/zinc/69/87/43/1191698743.db2.gz MGQXAOKBPLQYOQ-OLZOCXBDSA-N 2 0 326.872 2.058 10 0 EEAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001485253855 1191704955 /nfs/dbraw/zinc/70/49/55/1191704955.db2.gz RLIBCTZLOUPIDT-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001485264629 1191710470 /nfs/dbraw/zinc/71/04/70/1191710470.db2.gz XNKAFMZIEXOLAM-UHFFFAOYSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001485375789 1191764503 /nfs/dbraw/zinc/76/45/03/1191764503.db2.gz AFULCCLXQNUXNL-HUUCEWRRSA-N 2 0 333.451 2.419 10 0 EEAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccn1 ZINC001485434823 1191783882 /nfs/dbraw/zinc/78/38/82/1191783882.db2.gz UAKIFBCVTMIKMI-BHIYHBOVSA-N 2 0 346.519 2.385 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001486418091 1193947939 /nfs/dbraw/zinc/94/79/39/1193947939.db2.gz SBTKOPKIBDTRFI-HZPDHXFCSA-N 2 0 327.513 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](C/C=C/Cl)CC2)CC1 ZINC001486490665 1194002534 /nfs/dbraw/zinc/00/25/34/1194002534.db2.gz YTHJNIZLGSZDAL-RUDMXATFSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1cc(CN2CC=C(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001486519657 1194040378 /nfs/dbraw/zinc/04/03/78/1194040378.db2.gz WNCLNNBGPHKGEZ-INIZCTEOSA-N 2 0 348.516 2.042 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001273123544 1194407245 /nfs/dbraw/zinc/40/72/45/1194407245.db2.gz WBLVDMAXYOIBFH-ZIAGYGMSSA-N 2 0 338.496 2.297 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCc2ccsc2)C1 ZINC001409980844 1196131408 /nfs/dbraw/zinc/13/14/08/1196131408.db2.gz SNOBQRIHBUEGFJ-OAHLLOKOSA-N 2 0 335.517 2.213 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCCCF)[C@@H]2C)CC[N@@H+]1C ZINC001691675741 1197475325 /nfs/dbraw/zinc/47/53/25/1197475325.db2.gz DHCLIHXBCXXIEJ-LTIDMASMSA-N 2 0 327.488 2.436 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001410230204 1197620121 /nfs/dbraw/zinc/62/01/21/1197620121.db2.gz VCVZXCDBCHTHKV-RBSFLKMASA-N 2 0 331.451 2.248 10 0 EEAERP Cc1cc(C[NH2+][C@H](CCNC(=O)C2([NH+](C)C)CCC2)C(C)C)on1 ZINC001410246136 1197632120 /nfs/dbraw/zinc/63/21/20/1197632120.db2.gz GCARBHSVHVYZBT-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCC[C@@H]2CCOC2)CC1 ZINC001410254407 1197639046 /nfs/dbraw/zinc/63/90/46/1197639046.db2.gz TXVKJCIKHLSNGT-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CO[C@H](C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1)C1CCC1 ZINC001410257435 1197642045 /nfs/dbraw/zinc/64/20/45/1197642045.db2.gz IMYMVAWPDCZDDU-GOSISDBHSA-N 2 0 339.524 2.065 10 0 EEAERP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000872146851 1198053700 /nfs/dbraw/zinc/05/37/00/1198053700.db2.gz ZFBDBRUMHGVWMK-KZNAEPCWSA-N 2 0 339.524 2.027 10 0 EEAERP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872156138 1198062695 /nfs/dbraw/zinc/06/26/95/1198062695.db2.gz FFLVUXKKVZWQHY-YOEHRIQHSA-N 2 0 346.475 2.383 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[C@H]1c1ccc(F)cc1 ZINC000872299479 1198135891 /nfs/dbraw/zinc/13/58/91/1198135891.db2.gz KSRFDZXCXMOFMS-XWTMOSNGSA-N 2 0 333.451 2.377 10 0 EEAERP CN1CC[NH+](CCCC[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865412575 1198204311 /nfs/dbraw/zinc/20/43/11/1198204311.db2.gz QFFVCXGHOFIBLP-UHFFFAOYSA-N 2 0 330.451 2.491 10 0 EEAERP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001410840572 1198489072 /nfs/dbraw/zinc/48/90/72/1198489072.db2.gz DNCNHFGLWDTKQX-RDJZCZTQSA-N 2 0 333.476 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@@H]1C ZINC001410850896 1198502020 /nfs/dbraw/zinc/50/20/20/1198502020.db2.gz JLJRZKZQIXIEIV-LSDHHAIUSA-N 2 0 344.459 2.247 10 0 EEAERP Cc1nc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)o1 ZINC001411115337 1198811290 /nfs/dbraw/zinc/81/12/90/1198811290.db2.gz WLRMEJVCULJYFC-CZUORRHYSA-N 2 0 336.480 2.102 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001411230385 1198940628 /nfs/dbraw/zinc/94/06/28/1198940628.db2.gz CLSCUIISIQNNNB-KBPBESRZSA-N 2 0 335.414 2.107 10 0 EEAERP COc1cnc(F)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000877059115 1199856102 /nfs/dbraw/zinc/85/61/02/1199856102.db2.gz JRNZRNTUWIUQKE-KBPBESRZSA-N 2 0 325.428 2.208 10 0 EEAERP C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018431 1200409909 /nfs/dbraw/zinc/40/99/09/1200409909.db2.gz QPDZDFHNASICEJ-BHIYHBOVSA-N 2 0 331.504 2.063 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C[C@H]1C[NH+](C)C ZINC000870018909 1200410687 /nfs/dbraw/zinc/41/06/87/1200410687.db2.gz ZGAVAKCIMAFKRE-TUVASFSCSA-N 2 0 349.441 2.163 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1C[NH+](C)C ZINC000870019778 1200410730 /nfs/dbraw/zinc/41/07/30/1200410730.db2.gz PQISJSPJXRZNSY-VXGBXAGGSA-N 2 0 329.897 2.213 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1C[NH+](C)C ZINC000870022998 1200413179 /nfs/dbraw/zinc/41/31/79/1200413179.db2.gz HZSQPOFWGWLJHU-HUUCEWRRSA-N 2 0 335.517 2.437 10 0 EEAERP CCc1ccc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870024038 1200413211 /nfs/dbraw/zinc/41/32/11/1200413211.db2.gz IBLLDTXIOQDPEU-WOJBJXKFSA-N 2 0 345.531 2.379 10 0 EEAERP COc1ccccc1[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCCC1 ZINC000870853951 1200912221 /nfs/dbraw/zinc/91/22/21/1200912221.db2.gz JJYQBKMLBYIUDE-MJEZEWASSA-N 2 0 343.471 2.076 10 0 EEAERP COc1cccc([C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH+]2CCCC2)c1 ZINC000870853567 1200912583 /nfs/dbraw/zinc/91/25/83/1200912583.db2.gz RSAYNHPPYJRIRT-JMVFIXPQSA-N 2 0 343.471 2.076 10 0 EEAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000870994134 1200995930 /nfs/dbraw/zinc/99/59/30/1200995930.db2.gz NQJIBXDJJFJEHI-LJQANCHMSA-N 2 0 332.492 2.250 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000866665356 1201574255 /nfs/dbraw/zinc/57/42/55/1201574255.db2.gz UZZLXRSPODIBIE-FKIZTMCRSA-N 2 0 344.455 2.327 10 0 EEAERP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708307 1201586355 /nfs/dbraw/zinc/58/63/55/1201586355.db2.gz MMJLDSDPQMGSHF-KSZLIROESA-N 2 0 343.471 2.351 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000868121928 1201747847 /nfs/dbraw/zinc/74/78/47/1201747847.db2.gz UVROICHCMMNDNE-MSOLQXFVSA-N 2 0 346.475 2.375 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)C1 ZINC001274299388 1204988564 /nfs/dbraw/zinc/98/85/64/1204988564.db2.gz WMHBVQRWPCSYPE-RDFMZFSFSA-N 2 0 335.414 2.323 10 0 EEAERP CCOCCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001274398398 1205021302 /nfs/dbraw/zinc/02/13/02/1205021302.db2.gz MPHKAQSGDZXXBE-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@H]1CCc2cncn2C1 ZINC001274818516 1205179220 /nfs/dbraw/zinc/17/92/20/1205179220.db2.gz MEJPKLLUBJCERR-OLZOCXBDSA-N 2 0 346.397 2.272 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274920530 1205210530 /nfs/dbraw/zinc/21/05/30/1205210530.db2.gz ZQAQDNSLGPHODF-DLBZAZTESA-N 2 0 331.504 2.228 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001275803994 1205541004 /nfs/dbraw/zinc/54/10/04/1205541004.db2.gz CUQYTXJEBLSPPT-IAGOWNOFSA-N 2 0 327.488 2.343 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001276007257 1205631511 /nfs/dbraw/zinc/63/15/11/1205631511.db2.gz NQJGAIYDMXDCTQ-SFHVURJKSA-N 2 0 333.451 2.106 10 0 EEAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924657039 1206012378 /nfs/dbraw/zinc/01/23/78/1206012378.db2.gz FIBCUSQYIRSXOV-AZUAARDMSA-N 2 0 330.520 2.410 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000924726344 1206024270 /nfs/dbraw/zinc/02/42/70/1206024270.db2.gz NBHBVVCHGHDFDU-UFRUDQCGSA-N 2 0 327.472 2.239 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cn1 ZINC000925520960 1206122458 /nfs/dbraw/zinc/12/24/58/1206122458.db2.gz YXYPPFLGDDNUFN-QXAKKESOSA-N 2 0 331.508 2.147 10 0 EEAERP [NH3+][C@H]1C[C@@H](NCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925538785 1206125002 /nfs/dbraw/zinc/12/50/02/1206125002.db2.gz TUHNIZZEGNEJOD-RBUKOAKNSA-N 2 0 328.504 2.058 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)C12CCC2 ZINC000925552375 1206126981 /nfs/dbraw/zinc/12/69/81/1206126981.db2.gz JYVIYOWJTGYBAU-KZNAEPCWSA-N 2 0 327.472 2.080 10 0 EEAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000925794502 1206154663 /nfs/dbraw/zinc/15/46/63/1206154663.db2.gz FJDIZIPTGSSEMY-PIKOESSRSA-N 2 0 331.504 2.284 10 0 EEAERP Cc1c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cnn1-c1ccc(F)cc1 ZINC000925809961 1206156557 /nfs/dbraw/zinc/15/65/57/1206156557.db2.gz LRBRYKQJYMEKEF-AWEZNQCLSA-N 2 0 345.466 2.394 10 0 EEAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1C ZINC000925809502 1206156607 /nfs/dbraw/zinc/15/66/07/1206156607.db2.gz JFICNWSBJLMNPZ-OAHLLOKOSA-N 2 0 332.492 2.033 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846936 1206159551 /nfs/dbraw/zinc/15/95/51/1206159551.db2.gz VQGWABBFXXALQS-PZJWPPBQSA-N 2 0 344.547 2.172 10 0 EEAERP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925845820 1206159722 /nfs/dbraw/zinc/15/97/22/1206159722.db2.gz RHWXFBCUHZUOBC-MRXNPFEDSA-N 2 0 332.492 2.371 10 0 EEAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000925848013 1206159983 /nfs/dbraw/zinc/15/99/83/1206159983.db2.gz YIYJEFOXKYSYHX-KRWDZBQOSA-N 2 0 346.519 2.115 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)Nc2ccn3ccnc3c2)CC[C@H]1C(F)(F)F ZINC000926105334 1206192372 /nfs/dbraw/zinc/19/23/72/1206192372.db2.gz CCYZSPANTRXILA-GHMZBOCLSA-N 2 0 327.310 2.078 10 0 EEAERP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926151945 1206199150 /nfs/dbraw/zinc/19/91/50/1206199150.db2.gz YMHVXMMSMZPNTG-IAGOWNOFSA-N 2 0 346.500 2.034 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)o1 ZINC000930071192 1206532953 /nfs/dbraw/zinc/53/29/53/1206532953.db2.gz CYDBHDVWIQERJO-UHFFFAOYSA-N 2 0 348.491 2.187 10 0 EEAERP C[N@H+](CCO[C@@H]1CCOC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930170058 1206538952 /nfs/dbraw/zinc/53/89/52/1206538952.db2.gz QYQBASMNHUPNIS-LJQANCHMSA-N 2 0 333.476 2.425 10 0 EEAERP OC1(CC[NH2+][C@@H]2CCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000718012370 1211701467 /nfs/dbraw/zinc/70/14/67/1211701467.db2.gz ULMLUNNLKFNPPA-GOSISDBHSA-N 2 0 340.471 2.335 10 0 EEAERP c1cc(N2CCC[N@@H+](C[C@@H]3CCC[C@@]4(CCOC4)O3)CC2)cc[nH+]1 ZINC001413012631 1216507660 /nfs/dbraw/zinc/50/76/60/1216507660.db2.gz RMPPMTUJHJBAPB-OALUTQOASA-N 2 0 331.460 2.322 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@]3(C)C[C@@H](O)CN3C)c2C1 ZINC000901152570 1235288027 /nfs/dbraw/zinc/28/80/27/1235288027.db2.gz PDXJVRZKQPWJBE-BEFAXECRSA-N 2 0 331.460 2.052 10 0 EEAERP COc1ccc(CCC[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903884856 1242314908 /nfs/dbraw/zinc/31/49/08/1242314908.db2.gz BFCRIQPZHCCXOR-KRWDZBQOSA-N 2 0 343.475 2.276 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000903922757 1242514715 /nfs/dbraw/zinc/51/47/15/1242514715.db2.gz DLBRTMFXEVUQEE-AEFFLSMTSA-N 2 0 328.464 2.127 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2cnccc2C(C)(C)C)cnn1C ZINC000903929618 1242541584 /nfs/dbraw/zinc/54/15/84/1242541584.db2.gz HYRQREAOGGMSTB-OAHLLOKOSA-N 2 0 329.492 2.328 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cnn1C ZINC000903932926 1242554856 /nfs/dbraw/zinc/55/48/56/1242554856.db2.gz IDSLFOXPBAKFJF-ZIFCJYIRSA-N 2 0 334.508 2.127 10 0 EEAERP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957691 1242720559 /nfs/dbraw/zinc/72/05/59/1242720559.db2.gz SNCUZWSRTJJTAW-NSHDSACASA-N 2 0 329.357 2.238 10 0 EEAERP CCCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903978220 1242832108 /nfs/dbraw/zinc/83/21/08/1242832108.db2.gz APJULJFMYYQLFX-FCEWJHQRSA-N 2 0 332.444 2.188 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccnc1 ZINC001490977035 1258526041 /nfs/dbraw/zinc/52/60/41/1258526041.db2.gz OFJKBWSFUGNGRA-AYHJJNSGSA-N 2 0 330.476 2.033 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001491069685 1258636892 /nfs/dbraw/zinc/63/68/92/1258636892.db2.gz LXCGABZJAUKULX-NCOADZHNSA-N 2 0 327.488 2.483 10 0 EEAERP COCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001491356826 1258990799 /nfs/dbraw/zinc/99/07/99/1258990799.db2.gz UKZMQGAESOPLES-ABHNRTSZSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1ccc(F)cc1 ZINC001491496257 1259149562 /nfs/dbraw/zinc/14/95/62/1259149562.db2.gz VHXFCJSHFRPBIW-HNNXBMFYSA-N 2 0 333.451 2.296 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410513017 1277969496 /nfs/dbraw/zinc/96/94/96/1277969496.db2.gz ONNOXQWGWZPHOP-ZDUSSCGKSA-N 2 0 327.419 2.242 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001273610593 1281129903 /nfs/dbraw/zinc/12/99/03/1281129903.db2.gz QGJQUWQYMMUOAO-INIZCTEOSA-N 2 0 327.419 2.243 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001273909399 1289775255 /nfs/dbraw/zinc/77/52/55/1289775255.db2.gz FAJQSVPYPCUNPY-KWWITBOBSA-N 2 0 349.425 2.308 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)o1 ZINC001489311774 1290540374 /nfs/dbraw/zinc/54/03/74/1290540374.db2.gz MPHRSWHMUUJMSV-WBVHZDCISA-N 2 0 348.491 2.246 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309114 1291180145 /nfs/dbraw/zinc/18/01/45/1291180145.db2.gz YBAVEAWQXAEVLZ-PBHICJAKSA-N 2 0 336.480 2.102 10 0 EEAERP COc1cccc(C[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C2CC2)c1 ZINC001490367120 1291248413 /nfs/dbraw/zinc/24/84/13/1291248413.db2.gz MNCNDRNGNXQUAB-LJQANCHMSA-N 2 0 345.487 2.260 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1)C1CCC1 ZINC001490673871 1291558010 /nfs/dbraw/zinc/55/80/10/1291558010.db2.gz LHURVQQLFUQRDO-BBRMVZONSA-N 2 0 343.462 2.391 10 0 EEAERP CCn1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cn1 ZINC000856553632 1293564194 /nfs/dbraw/zinc/56/41/94/1293564194.db2.gz MWPABTSBTJHMRV-IBGZPJMESA-N 2 0 343.475 2.403 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=C(C(=O)OCC)C2)[C@@H](C)C1 ZINC000858504971 1294137018 /nfs/dbraw/zinc/13/70/18/1294137018.db2.gz CIEBGWGZQYOYCT-SZMVWBNQSA-N 2 0 338.492 2.365 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001491171037 1299651491 /nfs/dbraw/zinc/65/14/91/1299651491.db2.gz SWZGNNXSBHULNE-GJZGRUSLSA-N 2 0 331.451 2.202 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001277068621 1301143559 /nfs/dbraw/zinc/14/35/59/1301143559.db2.gz JLJNIQBCDCMHIA-SAABIXHNSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1cccc(C[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001277334969 1302475220 /nfs/dbraw/zinc/47/52/20/1302475220.db2.gz FFVWKSWFJZMEJO-KRWDZBQOSA-N 2 0 329.488 2.465 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001277473527 1303560570 /nfs/dbraw/zinc/56/05/70/1303560570.db2.gz FNRAYEXXIMOYMH-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP Cc1cccc([C@@H](C)[N@H+](C)CCOCCNC(=O)[C@H]2CCC[NH+]2C)c1 ZINC001277476517 1303575639 /nfs/dbraw/zinc/57/56/39/1303575639.db2.gz XTIZNUAKCMZZAH-IEBWSBKVSA-N 2 0 347.503 2.215 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001277677893 1304162431 /nfs/dbraw/zinc/16/24/31/1304162431.db2.gz PGIJESUULPEEOV-INIZCTEOSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001491560852 1304438550 /nfs/dbraw/zinc/43/85/50/1304438550.db2.gz RORSUHVXHCASPC-IPYPFGDCSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001277947810 1305245942 /nfs/dbraw/zinc/24/59/42/1305245942.db2.gz PPPAEWDZLUGFKV-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2C)C[C@H]1C ZINC001278416617 1310168601 /nfs/dbraw/zinc/16/86/01/1310168601.db2.gz ORJNFDYFZDCLDZ-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000840747649 1315405591 /nfs/dbraw/zinc/40/55/91/1315405591.db2.gz URGLJTKQRMUEOK-KSZLIROESA-N 2 0 325.541 2.037 10 0 EEAERP CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CCC([NH3+])CC1 ZINC000841727305 1315603964 /nfs/dbraw/zinc/60/39/64/1315603964.db2.gz YQTRNTXZVNHYRV-ADKAHSJRSA-N 2 0 332.492 2.071 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841927160 1315638793 /nfs/dbraw/zinc/63/87/93/1315638793.db2.gz HQCIPPMOEUMBJT-YJBOKZPZSA-N 2 0 332.492 2.060 10 0 EEAERP CC(C)OCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001278597937 1317320290 /nfs/dbraw/zinc/32/02/90/1317320290.db2.gz DRMNJPSQIHYTBO-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001264433768 1322700669 /nfs/dbraw/zinc/70/06/69/1322700669.db2.gz NZIAHKCVVARPSM-BZSNNMDCSA-N 2 0 339.524 2.159 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)C[NH+]2CCCC2)co1 ZINC001264520497 1322723726 /nfs/dbraw/zinc/72/37/26/1322723726.db2.gz MAZRLMUJTGFJSL-MAUKXSAKSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC001265030902 1322874098 /nfs/dbraw/zinc/87/40/98/1322874098.db2.gz 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2.072 10 0 EEAERP Cc1ccccc1-c1noc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)n1 ZINC000923453661 789587921 /nfs/dbraw/zinc/58/79/21/789587921.db2.gz CIDGLPSSFKWHGQ-OAHLLOKOSA-N 2 0 342.443 2.375 10 0 EEAERP Fc1cccc(F)c1-c1csc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923460825 789594553 /nfs/dbraw/zinc/59/45/53/789594553.db2.gz WFYRRPQFKDDYQH-UHFFFAOYSA-N 2 0 338.427 2.083 10 0 EEAERP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497164 789671569 /nfs/dbraw/zinc/67/15/69/789671569.db2.gz GACUXEAVAGIYAH-SJLPKXTDSA-N 2 0 347.503 2.222 10 0 EEAERP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923499916 789683751 /nfs/dbraw/zinc/68/37/51/789683751.db2.gz ODTIEVAFOMJIDB-ROUUACIJSA-N 2 0 347.503 2.057 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923500328 789684199 /nfs/dbraw/zinc/68/41/99/789684199.db2.gz NLQRIANTNFIURL-RDJZCZTQSA-N 2 0 347.507 2.319 10 0 EEAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846227175 790094330 /nfs/dbraw/zinc/09/43/30/790094330.db2.gz IKJXPFWPUIKCCW-MLHJIOFPSA-N 2 0 339.524 2.432 10 0 EEAERP C[NH+](C)C1CCN(CC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921815925 796478874 /nfs/dbraw/zinc/47/88/74/796478874.db2.gz LPZAQTBIEPYPDU-UHFFFAOYSA-N 2 0 325.888 2.056 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3OCC4)cc2)C1 ZINC000922240312 800015262 /nfs/dbraw/zinc/01/52/62/800015262.db2.gz NSLKTDQKMWYLFZ-FQEVSTJZSA-N 2 0 338.451 2.478 10 0 EEAERP C[C@H]1[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000922558807 801293404 /nfs/dbraw/zinc/29/34/04/801293404.db2.gz WYFXLOJAHKTKDZ-YOEHRIQHSA-N 2 0 336.911 2.274 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)s1 ZINC001566482650 1125645479 /nfs/dbraw/zinc/64/54/79/1125645479.db2.gz UVPRKOMNAXUQEQ-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC001566487070 1125650250 /nfs/dbraw/zinc/65/02/50/1125650250.db2.gz QOQTYCNYQWESBP-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001566508125 1125676872 /nfs/dbraw/zinc/67/68/72/1125676872.db2.gz TTZBBVWPXMFCNC-KRXBUXKQSA-N 2 0 327.900 2.299 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cscn2)C1)C1CCC1 ZINC001436415890 1087772199 /nfs/dbraw/zinc/77/21/99/1087772199.db2.gz LTSIIMBYDCHBJW-UONOGXRCSA-N 2 0 336.505 2.002 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2conc2C)[C@@H]1CC ZINC001436445695 1087857366 /nfs/dbraw/zinc/85/73/66/1087857366.db2.gz NHUJLTSJTYXEJD-DLBZAZTESA-N 2 0 336.480 2.184 10 0 EEAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001436495843 1088007275 /nfs/dbraw/zinc/00/72/75/1088007275.db2.gz SXCICBAFLFZQFK-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC001436829139 1088436584 /nfs/dbraw/zinc/43/65/84/1088436584.db2.gz CDAGCUSFXTYOJZ-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1ccccc1F 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OYFZNKNOMXUQNA-LJQANCHMSA-N 2 0 331.504 2.412 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)sc1C ZINC001438380393 1090864364 /nfs/dbraw/zinc/86/43/64/1090864364.db2.gz UNPVJQVTGRDFTH-HUUCEWRRSA-N 2 0 338.521 2.086 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC001438408138 1090895720 /nfs/dbraw/zinc/89/57/20/1090895720.db2.gz YXGXOJYYDBWLLU-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCC(=O)NCCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001438456330 1090965645 /nfs/dbraw/zinc/96/56/45/1090965645.db2.gz MWQPSWOPQCUTOE-UHFFFAOYSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2cc(C)ns2)CC[N@@H+]1C ZINC001438493206 1090991963 /nfs/dbraw/zinc/99/19/63/1090991963.db2.gz PEHTWZGEQYAVRF-UHOFOFEASA-N 2 0 338.521 2.024 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001438647243 1091131007 /nfs/dbraw/zinc/13/10/07/1091131007.db2.gz DMABPLIYGSCQIW-RDTXWAMCSA-N 2 0 348.491 2.327 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438718049 1091241231 /nfs/dbraw/zinc/24/12/31/1091241231.db2.gz WYCPMTWODGNYLJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001445557005 1091329001 /nfs/dbraw/zinc/32/90/01/1091329001.db2.gz IGHYKOXFRZQVSH-QFBILLFUSA-N 2 0 344.503 2.391 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)sc1C ZINC001438770950 1091354034 /nfs/dbraw/zinc/35/40/34/1091354034.db2.gz KSLVNMFOKAQVSQ-IUODEOHRSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001438812538 1091428352 /nfs/dbraw/zinc/42/83/52/1091428352.db2.gz NFQUBCYJFLRTLE-HNNXBMFYSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001445753932 1091591801 /nfs/dbraw/zinc/59/18/01/1091591801.db2.gz KQEAJXNZFLBALJ-KBPBESRZSA-N 2 0 333.411 2.066 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001445780133 1091646117 /nfs/dbraw/zinc/64/61/17/1091646117.db2.gz GTGSXEFGCUUMRN-RYRKJORJSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1coc(C2CC2)n1 ZINC001438963015 1091656053 /nfs/dbraw/zinc/65/60/53/1091656053.db2.gz NPGQUZBQRXUHIN-DOTOQJQBSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](C[N@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)C[NH+]1CCCC1 ZINC001445865758 1091785977 /nfs/dbraw/zinc/78/59/77/1091785977.db2.gz GSFPTXAXXLCRNO-KDOFPFPSSA-N 2 0 333.451 2.345 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cncc(C)c1)C1CC1 ZINC001445945944 1091883943 /nfs/dbraw/zinc/88/39/43/1091883943.db2.gz BPPDXRQVNHVKTJ-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C2CC2)on1 ZINC001445958036 1091904521 /nfs/dbraw/zinc/90/45/21/1091904521.db2.gz NVVYJTSDOIAQHF-ZWKOTPCHSA-N 2 0 348.491 2.088 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439368995 1092100333 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TZFHAKVWSBLBOT-BEFAXECRSA-N 2 0 333.451 2.248 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439864225 1092896553 /nfs/dbraw/zinc/89/65/53/1092896553.db2.gz GQVGTKUTAIJLHE-CRAIPNDOSA-N 2 0 335.517 2.479 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001439880579 1092928994 /nfs/dbraw/zinc/92/89/94/1092928994.db2.gz BPRQNGBBNPCINK-RTBURBONSA-N 2 0 339.499 2.437 10 0 EEAERP CCc1nocc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001439885032 1092939067 /nfs/dbraw/zinc/93/90/67/1092939067.db2.gz ILQBUSVQQJVWMA-IEBWSBKVSA-N 2 0 348.491 2.050 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001440142247 1093204393 /nfs/dbraw/zinc/20/43/93/1093204393.db2.gz CZHLQQJZTGPDMO-BBWFWOEESA-N 2 0 327.488 2.103 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001440196296 1093265898 /nfs/dbraw/zinc/26/58/98/1093265898.db2.gz UDPSWKVPPJXHTQ-ROUUACIJSA-N 2 0 348.491 2.144 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001448471028 1093485029 /nfs/dbraw/zinc/48/50/29/1093485029.db2.gz NIHPPPOXRGYULQ-OKZBNKHCSA-N 2 0 344.503 2.140 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001448481485 1093502714 /nfs/dbraw/zinc/50/27/14/1093502714.db2.gz YLVCAIJRCZIHRB-IXDOHACOSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+]1CCCC1 ZINC001440361661 1093525788 /nfs/dbraw/zinc/52/57/88/1093525788.db2.gz IOZNJAJYGRNIJE-VQHPVUNQSA-N 2 0 327.488 2.339 10 0 EEAERP CCc1ccc(CC[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001440363464 1093528870 /nfs/dbraw/zinc/52/88/70/1093528870.db2.gz WETWBSRRRPGIDG-MXVIHJGJSA-N 2 0 343.515 2.372 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)s1 ZINC001440397037 1093576868 /nfs/dbraw/zinc/57/68/68/1093576868.db2.gz PEMZJTUFMPTBCS-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP CCO[C@H](C[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)C1CC1 ZINC001448539987 1093578000 /nfs/dbraw/zinc/57/80/00/1093578000.db2.gz WHZJIRSVAITTTG-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@H](C)F ZINC001448559478 1093605855 /nfs/dbraw/zinc/60/58/55/1093605855.db2.gz RLKNVKSFWPNBCW-JKSUJKDBSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001440418623 1093612827 /nfs/dbraw/zinc/61/28/27/1093612827.db2.gz FWHJKWJSNKEZGI-WBVHZDCISA-N 2 0 332.492 2.058 10 0 EEAERP CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001440531005 1093789981 /nfs/dbraw/zinc/78/99/81/1093789981.db2.gz MEFJTKXCYVPQHC-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001440536981 1093800352 /nfs/dbraw/zinc/80/03/52/1093800352.db2.gz ITFMUACEERDTQE-HXUWFJFHSA-N 2 0 344.503 2.156 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001448780140 1093860847 /nfs/dbraw/zinc/86/08/47/1093860847.db2.gz XWAWWVOTNKJMMR-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001449022031 1094027472 /nfs/dbraw/zinc/02/74/72/1094027472.db2.gz ZRJCLVMLCXWUEJ-DOTOQJQBSA-N 2 0 343.462 2.487 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccnc1)CC2)[NH+](C)C ZINC001449026500 1094033574 /nfs/dbraw/zinc/03/35/74/1094033574.db2.gz HHFQJKMFFRYHQJ-ZIFCJYIRSA-N 2 0 330.476 2.035 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001440838858 1094092753 /nfs/dbraw/zinc/09/27/53/1094092753.db2.gz OMSKAGKVVQZHDF-KBPBESRZSA-N 2 0 325.884 2.317 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC001440845419 1094103188 /nfs/dbraw/zinc/10/31/88/1094103188.db2.gz DZWNSAVOZTWUIX-OLZOCXBDSA-N 2 0 341.883 2.370 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC(F)(F)F ZINC001440935673 1094188805 /nfs/dbraw/zinc/18/88/05/1094188805.db2.gz BKSQRFDLDBBGOG-KBPBESRZSA-N 2 0 337.430 2.496 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1)C1CCCCC1 ZINC001441359030 1094878199 /nfs/dbraw/zinc/87/81/99/1094878199.db2.gz UIWGQZZFHMLZAA-JCNLHEQBSA-N 2 0 348.491 2.314 10 0 EEAERP Cc1conc1C[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001441409093 1094985866 /nfs/dbraw/zinc/98/58/66/1094985866.db2.gz AXVBTTRUOWNXRT-MRXNPFEDSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(O)ccc1Cl ZINC001441501380 1095183579 /nfs/dbraw/zinc/18/35/79/1095183579.db2.gz WJOVGOFNCUXUAA-WBMJQRKESA-N 2 0 339.867 2.076 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001441621997 1095493081 /nfs/dbraw/zinc/49/30/81/1095493081.db2.gz RKTUVXOQVUZMES-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H](C)F)C[C@H]21)c1ccccc1 ZINC001441729951 1095712921 /nfs/dbraw/zinc/71/29/21/1095712921.db2.gz RFTWKJPQLPQIJI-NLNMYJFZSA-N 2 0 347.478 2.474 10 0 EEAERP COc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001441837507 1095907380 /nfs/dbraw/zinc/90/73/80/1095907380.db2.gz PGBQHKFSWSHVPP-WMZOPIPTSA-N 2 0 347.503 2.423 10 0 EEAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001441927574 1096114145 /nfs/dbraw/zinc/11/41/45/1096114145.db2.gz FLMGJVPNLUKMED-KBPBESRZSA-N 2 0 337.430 2.209 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C3CC3)no2)C1 ZINC001441931876 1096121486 /nfs/dbraw/zinc/12/14/86/1096121486.db2.gz GPMNOQFTHUITBG-ZBFHGGJFSA-N 2 0 348.491 2.268 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001441949180 1096148365 /nfs/dbraw/zinc/14/83/65/1096148365.db2.gz KTSVTYROKGTZFC-HOTGVXAUSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001442048993 1096260367 /nfs/dbraw/zinc/26/03/67/1096260367.db2.gz KPTDXPIOJVZDIX-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC001442196616 1096474898 /nfs/dbraw/zinc/47/48/98/1096474898.db2.gz FJMRLZJKAIASFE-CVEARBPZSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001442211852 1096501230 /nfs/dbraw/zinc/50/12/30/1096501230.db2.gz XVNIKKWMJXIWOY-INIZCTEOSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001442237273 1096537483 /nfs/dbraw/zinc/53/74/83/1096537483.db2.gz ZRMFEYGFAKBOLB-XBMUEBEBSA-N 2 0 344.503 2.343 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)ncn1 ZINC001442252403 1096553190 /nfs/dbraw/zinc/55/31/90/1096553190.db2.gz HHSCSZMFWZBRIE-OAHLLOKOSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001442342686 1096666109 /nfs/dbraw/zinc/66/61/09/1096666109.db2.gz SKMXQUTZYFKSBO-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001442807081 1097190724 /nfs/dbraw/zinc/19/07/24/1097190724.db2.gz SCXCISHASDYYJU-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001442833763 1097225240 /nfs/dbraw/zinc/22/52/40/1097225240.db2.gz WMLFHNJOXWKWBD-FQEVSTJZSA-N 2 0 341.499 2.352 10 0 EEAERP Cc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)c1 ZINC001443268327 1097750503 /nfs/dbraw/zinc/75/05/03/1097750503.db2.gz JESFZTCOICSLMB-SFHVURJKSA-N 2 0 329.488 2.419 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001443879215 1098406130 /nfs/dbraw/zinc/40/61/30/1098406130.db2.gz MQJHGBAECUDXEM-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+][C@H](C)c1cnc(C)cn1 ZINC001443976091 1098493813 /nfs/dbraw/zinc/49/38/13/1098493813.db2.gz DCJDHGNOPCLHMB-CVEARBPZSA-N 2 0 349.523 2.308 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccccc1F ZINC001444006045 1098521237 /nfs/dbraw/zinc/52/12/37/1098521237.db2.gz GLXLXQAKGCEJAO-DZGCQCFKSA-N 2 0 332.423 2.412 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001479486840 1098561072 /nfs/dbraw/zinc/56/10/72/1098561072.db2.gz LIRUDDCABNYEQL-ZMSDIMECSA-N 2 0 335.517 2.464 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC1CC1 ZINC001479619214 1098644100 /nfs/dbraw/zinc/64/41/00/1098644100.db2.gz XNTJVISLMDSTMC-RDGPPVDQSA-N 2 0 333.520 2.297 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C[NH2+]Cc2ccon2)CCCC[C@H]1C ZINC001444153465 1098696342 /nfs/dbraw/zinc/69/63/42/1098696342.db2.gz MDQXWOSMYXYCDR-CRAIPNDOSA-N 2 0 336.480 2.170 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001479691742 1098753894 /nfs/dbraw/zinc/75/38/94/1098753894.db2.gz LDSAMLXMNUBZIK-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCc1ccccc1F ZINC001479716651 1098799952 /nfs/dbraw/zinc/79/99/52/1098799952.db2.gz MXMBAMOHONZMMX-QAPCUYQASA-N 2 0 335.467 2.289 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001479719228 1098807164 /nfs/dbraw/zinc/80/71/64/1098807164.db2.gz OWSADFYBJHCCKP-UPJWGTAASA-N 2 0 336.307 2.101 10 0 EEAERP C[C@H]([NH2+]CCC1CCOCC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828575 1099108522 /nfs/dbraw/zinc/10/85/22/1099108522.db2.gz BRLQCBOZZYGGMP-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001479833296 1099116196 /nfs/dbraw/zinc/11/61/96/1099116196.db2.gz ZPBVJAQQNBYQRS-BBRMVZONSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC001479853082 1099152982 /nfs/dbraw/zinc/15/29/82/1099152982.db2.gz AIURKJBTGVEVIJ-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479905956 1099295820 /nfs/dbraw/zinc/29/58/20/1099295820.db2.gz FZIGXZYUPTWCGH-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001480020498 1099498967 /nfs/dbraw/zinc/49/89/67/1099498967.db2.gz ISTRTJQXTPGXGN-ZBFHGGJFSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444704093 1099560793 /nfs/dbraw/zinc/56/07/93/1099560793.db2.gz FIDRTAUALXUPEN-CRAIPNDOSA-N 2 0 335.467 2.434 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]2CCCC2)sn1 ZINC001444718067 1099585053 /nfs/dbraw/zinc/58/50/53/1099585053.db2.gz JKGZOFCHECITNU-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CCc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001480062713 1099591270 /nfs/dbraw/zinc/59/12/70/1099591270.db2.gz CVXPDHPZPBFXGG-OALUTQOASA-N 2 0 329.488 2.185 10 0 EEAERP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)cc1C ZINC001480099687 1099665547 /nfs/dbraw/zinc/66/55/47/1099665547.db2.gz HRYSORAOWIKBEB-KDURUIRLSA-N 2 0 329.488 2.430 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001480140749 1099707499 /nfs/dbraw/zinc/70/74/99/1099707499.db2.gz GEEDENDAZVHWOO-MRVWCRGKSA-N 2 0 327.469 2.408 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)[NH+](C)C ZINC001480144134 1099711252 /nfs/dbraw/zinc/71/12/52/1099711252.db2.gz YKJIZLHMFLDKPY-RWQQGDIJSA-N 2 0 329.488 2.497 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[N@H+](C)CCF)CC1 ZINC001444834973 1099789511 /nfs/dbraw/zinc/78/95/11/1099789511.db2.gz IZNFLBOBVDJLNY-HOTGVXAUSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccncc1Cl ZINC001444857594 1099846262 /nfs/dbraw/zinc/84/62/62/1099846262.db2.gz GJOJEOUTVBDEJF-CVEARBPZSA-N 2 0 338.883 2.060 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480227066 1099848653 /nfs/dbraw/zinc/84/86/53/1099848653.db2.gz YAQNCEBQBQWQIS-OKZBNKHCSA-N 2 0 339.524 2.303 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CCOc2ccccc2)CC[N@@H+]1C ZINC001445025006 1100185056 /nfs/dbraw/zinc/18/50/56/1100185056.db2.gz AQGRKGLZKYKYIY-ROUUACIJSA-N 2 0 347.503 2.186 10 0 EEAERP Cc1ccccc1OCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480487575 1100297691 /nfs/dbraw/zinc/29/76/91/1100297691.db2.gz WWCVKYDWTYJALV-ZWKOTPCHSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1)[NH+]1CCCCCC1 ZINC001480547486 1100382170 /nfs/dbraw/zinc/38/21/70/1100382170.db2.gz AWNIMGBBEJKIPH-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445366526 1100602769 /nfs/dbraw/zinc/60/27/69/1100602769.db2.gz MQXFLFYAUQDMQE-DGCLKSJQSA-N 2 0 341.908 2.338 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001446415626 1100825509 /nfs/dbraw/zinc/82/55/09/1100825509.db2.gz FJUBILQPDTXRGZ-SJORKVTESA-N 2 0 332.492 2.199 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]Cc2ccccn2)C2CCCC2)C1 ZINC001446504505 1100953208 /nfs/dbraw/zinc/95/32/08/1100953208.db2.gz XUHMYVGMCNDDAZ-VQIMIIECSA-N 2 0 344.503 2.188 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001496419928 1101013525 /nfs/dbraw/zinc/01/35/25/1101013525.db2.gz VKYWHTPJFYCVFN-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001495392828 1101112651 /nfs/dbraw/zinc/11/26/51/1101112651.db2.gz ICOMNUQKEDDOIH-KRWDZBQOSA-N 2 0 327.488 2.440 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001446633929 1101144807 /nfs/dbraw/zinc/14/48/07/1101144807.db2.gz GRDBHKICAGMPOH-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2nccs2)CC1)[NH+](C)C ZINC001495430808 1101149040 /nfs/dbraw/zinc/14/90/40/1101149040.db2.gz XYMJDGVYICLKLU-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP COCc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001496644891 1101249492 /nfs/dbraw/zinc/24/94/92/1101249492.db2.gz RRJMAMMVBBPYMU-RTBURBONSA-N 2 0 347.503 2.015 10 0 EEAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446717191 1101286333 /nfs/dbraw/zinc/28/63/33/1101286333.db2.gz JNHNGQWDPWRJHR-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446722931 1101292583 /nfs/dbraw/zinc/29/25/83/1101292583.db2.gz BRSVODCMHZEVOJ-KGLIPLIRSA-N 2 0 349.441 2.292 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001495669403 1101410585 /nfs/dbraw/zinc/41/05/85/1101410585.db2.gz WLHSETACUFOHRZ-CZUORRHYSA-N 2 0 338.521 2.166 10 0 EEAERP CC[NH+]1CCC(C(=O)N(C)CCC[NH+](C)C)(c2ccccc2)CC1 ZINC001446803803 1101450149 /nfs/dbraw/zinc/45/01/49/1101450149.db2.gz KVIVQOBUNBRLHP-UHFFFAOYSA-N 2 0 331.504 2.450 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001446942019 1101630966 /nfs/dbraw/zinc/63/09/66/1101630966.db2.gz NVMXXBWFEFYIHE-YJBOKZPZSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1conc1C[NH2+]C[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001495813871 1101632148 /nfs/dbraw/zinc/63/21/48/1101632148.db2.gz VXMCSPMIHITHEI-AWEZNQCLSA-N 2 0 344.459 2.200 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001496886055 1101666809 /nfs/dbraw/zinc/66/68/09/1101666809.db2.gz DMGSTMDYOOLQAN-OCCSQVGLSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC001447142628 1102070044 /nfs/dbraw/zinc/07/00/44/1102070044.db2.gz YHICTPIMNIVBKM-HNNXBMFYSA-N 2 0 333.476 2.170 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496194809 1102199888 /nfs/dbraw/zinc/19/98/88/1102199888.db2.gz KSKYVCAITHWNBW-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cnccc2C)C1 ZINC001497255281 1102200301 /nfs/dbraw/zinc/20/03/01/1102200301.db2.gz KTKBEGRADAWQBO-ZWKOTPCHSA-N 2 0 346.519 2.496 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001497298284 1102275733 /nfs/dbraw/zinc/27/57/33/1102275733.db2.gz GLQQHCCPXLXRIE-QGZVFWFLSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497303718 1102286375 /nfs/dbraw/zinc/28/63/75/1102286375.db2.gz JNJXXKJPRZXFGX-GJZGRUSLSA-N 2 0 336.480 2.124 10 0 EEAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@H]1COCCN1C1CCCC1 ZINC001497445543 1102500504 /nfs/dbraw/zinc/50/05/04/1102500504.db2.gz WJOXRNYYZDOQMM-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497456213 1102518681 /nfs/dbraw/zinc/51/86/81/1102518681.db2.gz WLYXIULCRATNOZ-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497500306 1102588578 /nfs/dbraw/zinc/58/85/78/1102588578.db2.gz FIBXNGKECCCHQB-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001497580671 1102694985 /nfs/dbraw/zinc/69/49/85/1102694985.db2.gz WRMTUMIVCZXUDE-MBZYTVFJSA-N 2 0 337.508 2.080 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001447684551 1103112995 /nfs/dbraw/zinc/11/29/95/1103112995.db2.gz RCXRPHLPXIUZQK-HNNXBMFYSA-N 2 0 333.451 2.214 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497926494 1103347148 /nfs/dbraw/zinc/34/71/48/1103347148.db2.gz DGCKATLBAVFCLJ-OAHLLOKOSA-N 2 0 349.523 2.099 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001494047268 1103421925 /nfs/dbraw/zinc/42/19/25/1103421925.db2.gz HXQSJPOQGCLKLK-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001447929657 1103622096 /nfs/dbraw/zinc/62/20/96/1103622096.db2.gz IIIVTTPWTBNHHB-CABCVRRESA-N 2 0 330.476 2.491 10 0 EEAERP CCc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001447931683 1103629449 /nfs/dbraw/zinc/62/94/49/1103629449.db2.gz OGZPDUCWFXHYKM-HOTGVXAUSA-N 2 0 329.488 2.328 10 0 EEAERP C[C@H](O)C[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001448224544 1104210594 /nfs/dbraw/zinc/21/05/94/1104210594.db2.gz KKHYJJDXKIBNOU-IRXDYDNUSA-N 2 0 339.524 2.040 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001494980076 1104622627 /nfs/dbraw/zinc/62/26/27/1104622627.db2.gz BDYISOPNFKESTJ-CDHQVMDDSA-N 2 0 343.515 2.500 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cc(C)no1 ZINC001494994158 1104637503 /nfs/dbraw/zinc/63/75/03/1104637503.db2.gz HQXRSJMEUAUWCI-QAPCUYQASA-N 2 0 348.491 2.374 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001480658373 1106830663 /nfs/dbraw/zinc/83/06/63/1106830663.db2.gz DDIMDMPWVNCBOA-KRWDZBQOSA-N 2 0 329.488 2.454 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001480659072 1106833525 /nfs/dbraw/zinc/83/35/25/1106833525.db2.gz MTUWXCLJAMSWDX-SFHVURJKSA-N 2 0 329.488 2.009 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001480659071 1106833901 /nfs/dbraw/zinc/83/39/01/1106833901.db2.gz MTUWXCLJAMSWDX-GOSISDBHSA-N 2 0 329.488 2.009 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001480709179 1106929817 /nfs/dbraw/zinc/92/98/17/1106929817.db2.gz JQIBIOMUWFWSGQ-CABCVRRESA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001498118598 1106944547 /nfs/dbraw/zinc/94/45/47/1106944547.db2.gz SUTCFLBLZMQOIT-MSOLQXFVSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498143538 1106980164 /nfs/dbraw/zinc/98/01/64/1106980164.db2.gz UYDSWKQCCZKHFR-LPHOPBHVSA-N 2 0 347.503 2.415 10 0 EEAERP CCOCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498498456 1107639045 /nfs/dbraw/zinc/63/90/45/1107639045.db2.gz UUGDJCKZKHORRM-MSOLQXFVSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)C1([NH+](C)C)CCC1 ZINC001498559618 1107723117 /nfs/dbraw/zinc/72/31/17/1107723117.db2.gz KYVOHDUVEKNGEI-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2conc2C)C2CC2)C1 ZINC001498808639 1108144338 /nfs/dbraw/zinc/14/43/38/1108144338.db2.gz WXDLDHFEQROIPJ-AEFFLSMTSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001493436063 1108154890 /nfs/dbraw/zinc/15/48/90/1108154890.db2.gz PTESDUMSAOMPRM-INIZCTEOSA-N 2 0 327.472 2.424 10 0 EEAERP C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)O1 ZINC001493609414 1108397144 /nfs/dbraw/zinc/39/71/44/1108397144.db2.gz NPNKAKCMRVUFAS-NVXWUHKLSA-N 2 0 339.524 2.255 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493768952 1108643667 /nfs/dbraw/zinc/64/36/67/1108643667.db2.gz FBTVYXYAQRKBMX-GOSISDBHSA-N 2 0 335.492 2.138 10 0 EEAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001493803101 1108683508 /nfs/dbraw/zinc/68/35/08/1108683508.db2.gz HCTHFDQNLJVJLG-UHFFFAOYSA-N 2 0 331.382 2.362 10 0 EEAERP Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC[NH+]1CCCCCC1 ZINC001460416235 1110278100 /nfs/dbraw/zinc/27/81/00/1110278100.db2.gz LMDQBOGQESSOAU-SJLPKXTDSA-N 2 0 346.523 2.135 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)CC1 ZINC001460968746 1110330607 /nfs/dbraw/zinc/33/06/07/1110330607.db2.gz BGHCPYWOBZZLHI-OYRHEFFESA-N 3 0 348.579 2.210 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001472471147 1110557375 /nfs/dbraw/zinc/55/73/75/1110557375.db2.gz BITYWNCRCCECCM-IRXDYDNUSA-N 2 0 330.476 2.289 10 0 EEAERP c1cc(C[NH2+]CCOc2ccc3c(c2)OCO3)n(-c2cc[nH+]cc2)n1 ZINC001473948110 1110586140 /nfs/dbraw/zinc/58/61/40/1110586140.db2.gz KVJQSSYFTPNVAM-UHFFFAOYSA-N 2 0 338.367 2.165 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001479394069 1110690855 /nfs/dbraw/zinc/69/08/55/1110690855.db2.gz VCITWJZLIGOFHD-NNUKFRKNSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCc3c[nH]cn3)C2)s1 ZINC001479452424 1110697154 /nfs/dbraw/zinc/69/71/54/1110697154.db2.gz DGRIXORSQLXJMS-UONOGXRCSA-N 2 0 347.488 2.182 10 0 EEAERP COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)ccc1C ZINC001479474275 1110698910 /nfs/dbraw/zinc/69/89/10/1110698910.db2.gz GZGYARMAVPUEBI-FUHWJXTLSA-N 2 0 347.503 2.330 10 0 EEAERP O=C(NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001499228062 1112188935 /nfs/dbraw/zinc/18/89/35/1112188935.db2.gz BPUUPQSDPUSQFI-ZFWWWQNUSA-N 2 0 341.446 2.002 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001499266645 1112208123 /nfs/dbraw/zinc/20/81/23/1112208123.db2.gz IDHGQNUJMDXOKM-CRAIPNDOSA-N 2 0 345.487 2.479 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(Cc2ccon2)C1 ZINC001499480922 1112312728 /nfs/dbraw/zinc/31/27/28/1112312728.db2.gz KFMRQBPLODXJCZ-WMZOPIPTSA-N 2 0 348.491 2.219 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001499922704 1112542494 /nfs/dbraw/zinc/54/24/94/1112542494.db2.gz HZFNNXUCTIHLHD-XLIONFOSSA-N 2 0 343.515 2.324 10 0 EEAERP C[C@H](F)CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001500446420 1112839159 /nfs/dbraw/zinc/83/91/59/1112839159.db2.gz GIVDQWJJTHRJCK-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001501640963 1113411451 /nfs/dbraw/zinc/41/14/51/1113411451.db2.gz NHXYNBHODJISMQ-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C)nc2C)C1 ZINC001501641269 1113411512 /nfs/dbraw/zinc/41/15/12/1113411512.db2.gz UFSHKDNAPZNWJD-GOSISDBHSA-N 2 0 346.519 2.368 10 0 EEAERP Cc1cncc(C[N@@H+](C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001502390978 1113661905 /nfs/dbraw/zinc/66/19/05/1113661905.db2.gz XKIGRHXRCWSTRR-QGZVFWFLSA-N 2 0 332.492 2.012 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456573 1113990491 /nfs/dbraw/zinc/99/04/91/1113990491.db2.gz YIBXQTOQEFYGNG-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)COCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505634019 1114098669 /nfs/dbraw/zinc/09/86/69/1114098669.db2.gz UUOKVGMCJUWQAO-DLBZAZTESA-N 2 0 339.524 2.018 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505667132 1114119178 /nfs/dbraw/zinc/11/91/78/1114119178.db2.gz IXSLPDUHWOOEDW-OLZOCXBDSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001505677682 1114125692 /nfs/dbraw/zinc/12/56/92/1114125692.db2.gz IATOEDDPJVOKLX-STQMWFEESA-N 2 0 339.430 2.289 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505731740 1114156628 /nfs/dbraw/zinc/15/66/28/1114156628.db2.gz DRJZYBCSKXDXHO-HUUCEWRRSA-N 2 0 333.451 2.213 10 0 EEAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1cncs1 ZINC001505756825 1114171615 /nfs/dbraw/zinc/17/16/15/1114171615.db2.gz IGIHVKPQCBUMFG-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP Cc1nsc(C)c1CN(C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001505945791 1114293876 /nfs/dbraw/zinc/29/38/76/1114293876.db2.gz HPRNTEQHNQILRO-BLLLJJGKSA-N 2 0 338.521 2.181 10 0 EEAERP O=C(NC1(C[NH2+]CCOC2CCC2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001506523630 1114672686 /nfs/dbraw/zinc/67/26/86/1114672686.db2.gz YLRWPNMIWGKOJA-UHFFFAOYSA-N 2 0 349.519 2.060 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1nccnc1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506534398 1114680260 /nfs/dbraw/zinc/68/02/60/1114680260.db2.gz FPFBVRLVCVZGMW-SJLPKXTDSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncs1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001506947224 1114995858 /nfs/dbraw/zinc/99/58/58/1114995858.db2.gz WCQGEXPCVBTMER-PBHICJAKSA-N 2 0 336.505 2.004 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001507293340 1115177405 /nfs/dbraw/zinc/17/74/05/1115177405.db2.gz MJBRWNFREFKXAE-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001507410941 1115256248 /nfs/dbraw/zinc/25/62/48/1115256248.db2.gz PLABSXIKFOBTCC-DZGCQCFKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ccccc1[C@H](C)[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507730170 1115335780 /nfs/dbraw/zinc/33/57/80/1115335780.db2.gz STQFTHGXOFFGHD-ROUUACIJSA-N 2 0 349.519 2.147 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](Cc3cc(C)no3)CC2)CC1 ZINC001508165911 1115432924 /nfs/dbraw/zinc/43/29/24/1115432924.db2.gz MLDGXWPJDNSAET-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001540246197 1124079109 /nfs/dbraw/zinc/07/91/09/1124079109.db2.gz HSIGKLHPOQTIDH-APWZRJJASA-N 2 0 344.503 2.497 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001543197899 1124124063 /nfs/dbraw/zinc/12/40/63/1124124063.db2.gz DWYASOVFAFXXKF-WBVHZDCISA-N 2 0 346.523 2.134 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001568359176 1124436354 /nfs/dbraw/zinc/43/63/54/1124436354.db2.gz HUYCYPZRAMSUNI-RDTXWAMCSA-N 2 0 344.459 2.119 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]C/C=C/Cl)C1 ZINC001568397188 1124467765 /nfs/dbraw/zinc/46/77/65/1124467765.db2.gz UZPXEEBPTTWNNK-VFXWJFPTSA-N 2 0 327.900 2.442 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(F)(F)F)C1 ZINC001568400181 1124470122 /nfs/dbraw/zinc/47/01/22/1124470122.db2.gz FECYNZQIJHSNSY-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001568415753 1124483838 /nfs/dbraw/zinc/48/38/38/1124483838.db2.gz AYGFUULSBLTXLL-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001568632173 1124646912 /nfs/dbraw/zinc/64/69/12/1124646912.db2.gz JJBYTIIOKAFVTN-LPHOPBHVSA-N 2 0 329.488 2.321 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568730415 1124744172 /nfs/dbraw/zinc/74/41/72/1124744172.db2.gz BOEOOTREOLKZDO-IBGZPJMESA-N 2 0 340.471 2.267 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791917 1124804479 /nfs/dbraw/zinc/80/44/79/1124804479.db2.gz YROYAONYJGQTTB-GOSISDBHSA-N 2 0 335.467 2.436 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791662 1124804643 /nfs/dbraw/zinc/80/46/43/1124804643.db2.gz PVYSEHXUDNFCDE-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CCN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568800964 1124815604 /nfs/dbraw/zinc/81/56/04/1124815604.db2.gz XUFKLFUNKGVKJW-RTBURBONSA-N 2 0 347.503 2.033 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001568851404 1124872736 /nfs/dbraw/zinc/87/27/36/1124872736.db2.gz CYJBOBVUPVZVCL-ZMGAVLDPSA-N 2 0 329.488 2.406 10 0 EEAERP CN(CCC[NH2+]Cc1cc(O)ccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001569266833 1125206462 /nfs/dbraw/zinc/20/64/62/1125206462.db2.gz HSPMAHBQOQFDMD-UHFFFAOYSA-N 2 0 339.867 2.080 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001565857090 1125437796 /nfs/dbraw/zinc/43/77/96/1125437796.db2.gz ZUPYMRHLVAKKSV-QRVBRYPASA-N 2 0 329.488 2.055 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000246049559 282080067 /nfs/dbraw/zinc/08/00/67/282080067.db2.gz XXVNDPYIUVKHCG-IKJBURDNSA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000265165774 282145779 /nfs/dbraw/zinc/14/57/79/282145779.db2.gz HJSXYJFTSZWIOC-ZWKOTPCHSA-N 2 0 348.466 2.313 10 0 EEAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000369540448 283159710 /nfs/dbraw/zinc/15/97/10/283159710.db2.gz JGNPZDGCNMVUFR-BFWZDYSYSA-N 2 0 334.508 2.129 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423072226 240351296 /nfs/dbraw/zinc/35/12/96/240351296.db2.gz PLTRYKUEKVVYJH-BFHYXJOUSA-N 2 0 337.489 2.373 10 0 EEAERP CCC[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCC1)[NH+](C)C ZINC000154358773 283472497 /nfs/dbraw/zinc/47/24/97/283472497.db2.gz FMFINTQDCFRERF-HNNXBMFYSA-N 2 0 327.538 2.195 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000423106600 283505329 /nfs/dbraw/zinc/50/53/29/283505329.db2.gz JUFIIGUZCGZGPE-IUODEOHRSA-N 2 0 338.883 2.380 10 0 EEAERP c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801277 240231387 /nfs/dbraw/zinc/23/13/87/240231387.db2.gz BRLGGBRDVUCSST-PMACEKPBSA-N 2 0 329.488 2.139 10 0 EEAERP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000425365435 241139587 /nfs/dbraw/zinc/13/95/87/241139587.db2.gz YIHBLBSYKHEKNW-ROUUACIJSA-N 2 0 347.528 2.496 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000448276928 242385757 /nfs/dbraw/zinc/38/57/57/242385757.db2.gz VISFNKPZQHWEDV-DLBZAZTESA-N 2 0 345.491 2.035 10 0 EEAERP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238002595 242891323 /nfs/dbraw/zinc/89/13/23/242891323.db2.gz RBEXDLOGZXIBOC-SQNIBIBYSA-N 2 0 349.519 2.058 10 0 EEAERP [NH3+][C@H]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000246498898 243264721 /nfs/dbraw/zinc/26/47/21/243264721.db2.gz PTEYJPBVCXFKKA-WJXKREEZSA-N 2 0 327.472 2.426 10 0 EEAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000268149266 256119620 /nfs/dbraw/zinc/11/96/20/256119620.db2.gz WCIUBRCEGUPADP-FZKQIMNGSA-N 2 0 348.466 2.169 10 0 EEAERP COc1cccc([C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000079409080 292196003 /nfs/dbraw/zinc/19/60/03/292196003.db2.gz ROVCCXKJMOHSDG-HNNXBMFYSA-N 2 0 333.476 2.146 10 0 EEAERP [NH3+]CCCCCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189026897 160135007 /nfs/dbraw/zinc/13/50/07/160135007.db2.gz MYGGQWWDPPXHEQ-WMLDXEAASA-N 2 0 339.430 2.436 10 0 EEAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3Cl)C2)CC1 ZINC000245945526 160258608 /nfs/dbraw/zinc/25/86/08/160258608.db2.gz WLAZBIIIBIXFKG-CRAIPNDOSA-N 2 0 337.895 2.085 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000247530372 160327491 /nfs/dbraw/zinc/32/74/91/160327491.db2.gz ZTJSHXOYPOJHME-FUHWJXTLSA-N 2 0 332.492 2.146 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CN(C)C[C@@H]3C)CC2)c1 ZINC000343190483 161111764 /nfs/dbraw/zinc/11/17/64/161111764.db2.gz FPIGKQIMHHSTST-FPOVZHCZSA-N 2 0 344.547 2.437 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000343486325 161140668 /nfs/dbraw/zinc/14/06/68/161140668.db2.gz XQWCEJSTXYAKCS-HDICACEKSA-N 2 0 327.472 2.195 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000343558784 161146513 /nfs/dbraw/zinc/14/65/13/161146513.db2.gz SCUHJOLNRPLVHF-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](O)C(F)(F)F ZINC000344335119 161217967 /nfs/dbraw/zinc/21/79/67/161217967.db2.gz RCQGLHHKVQFMTE-ZIAGYGMSSA-N 2 0 328.338 2.367 10 0 EEAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000345477664 161304574 /nfs/dbraw/zinc/30/45/74/161304574.db2.gz WZKZOJKVTUIKBS-BFWZDYSYSA-N 2 0 336.524 2.375 10 0 EEAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000359361942 164120578 /nfs/dbraw/zinc/12/05/78/164120578.db2.gz AWYFQBVSEPIYHE-WMZOPIPTSA-N 2 0 333.451 2.454 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[NH+]2CCC1CC2 ZINC000376752912 167386310 /nfs/dbraw/zinc/38/63/10/167386310.db2.gz VEDBMFSBOJVYSY-UHFFFAOYSA-N 2 0 342.487 2.272 10 0 EEAERP COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)CCC1 ZINC000277365544 269150627 /nfs/dbraw/zinc/15/06/27/269150627.db2.gz XHIDDCMECJPPHJ-MRXNPFEDSA-N 2 0 332.492 2.271 10 0 EEAERP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000162001118 276038332 /nfs/dbraw/zinc/03/83/32/276038332.db2.gz WDZMYMXSXQDRHS-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP C[NH2+]CCC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000261967624 277021457 /nfs/dbraw/zinc/02/14/57/277021457.db2.gz BZEHUVQDYNEIAL-UHFFFAOYSA-N 2 0 333.520 2.393 10 0 EEAERP CC(=O)Nc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121107705 277073337 /nfs/dbraw/zinc/07/33/37/277073337.db2.gz KWDWPFMSYZCLML-HNNXBMFYSA-N 2 0 333.476 2.170 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccccc1C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488734293 289035264 /nfs/dbraw/zinc/03/52/64/289035264.db2.gz NANWLBKPWBTISO-SMOSDQRPSA-N 2 0 332.488 2.092 10 0 EEAERP CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349664088 289279186 /nfs/dbraw/zinc/27/91/86/289279186.db2.gz GEPIIPHAYUXRCX-MSOLQXFVSA-N 2 0 336.524 2.375 10 0 EEAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000281318629 292749036 /nfs/dbraw/zinc/74/90/36/292749036.db2.gz SIYYMDHJXWYDTM-SFHVURJKSA-N 2 0 335.467 2.437 10 0 EEAERP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1c[nH+]ccc1N ZINC000423027440 290064052 /nfs/dbraw/zinc/06/40/52/290064052.db2.gz OZMWDTUBVSLUTB-ZFWWWQNUSA-N 2 0 326.448 2.203 10 0 EEAERP COC(=O)C1(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000297568481 294282686 /nfs/dbraw/zinc/28/26/86/294282686.db2.gz HQRBQLQWNYJIDV-UHFFFAOYSA-N 2 0 325.412 2.310 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000297703365 294319354 /nfs/dbraw/zinc/31/93/54/294319354.db2.gz XPUCWSWRMIPSHV-CABCVRRESA-N 2 0 329.448 2.254 10 0 EEAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176027279 295621192 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338.883 2.339 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000418444232 313815758 /nfs/dbraw/zinc/81/57/58/313815758.db2.gz AXRUGOAPEJRUDZ-YJBOKZPZSA-N 2 0 330.476 2.476 10 0 EEAERP C[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)[NH3+] ZINC000418697006 313883170 /nfs/dbraw/zinc/88/31/70/313883170.db2.gz BHVDXNZPMAUERR-LSDHHAIUSA-N 2 0 333.480 2.065 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCCO1 ZINC000527955557 317292190 /nfs/dbraw/zinc/29/21/90/317292190.db2.gz MNTNNFPYGAZWHE-PFAUGDHASA-N 2 0 344.499 2.417 10 0 EEAERP CCC[NH+]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000531204585 317778108 /nfs/dbraw/zinc/77/81/08/317778108.db2.gz YTTNLXKHRJMWIS-UHFFFAOYSA-N 2 0 330.476 2.161 10 0 EEAERP CCO[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C12CCC2 ZINC000538546750 318037492 /nfs/dbraw/zinc/03/74/92/318037492.db2.gz QCZPMZBWSJBYHN-ULQDDVLXSA-N 2 0 339.524 2.016 10 0 EEAERP 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EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)cs1 ZINC000279271399 464085847 /nfs/dbraw/zinc/08/58/47/464085847.db2.gz RSRKWHXNUUYORK-GFCCVEGCSA-N 2 0 344.912 2.285 10 0 EEAERP Cc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)c(OCC[NH+](C)C)c1 ZINC000172501928 464094221 /nfs/dbraw/zinc/09/42/21/464094221.db2.gz AIZDXTXMFSHWQW-UHFFFAOYSA-N 2 0 348.491 2.493 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CN1CCN(CCN2CCc3ccccc32)CC1 ZINC000292391592 464216992 /nfs/dbraw/zinc/21/69/92/464216992.db2.gz IMEPSOFIVDUXBE-FQEVSTJZSA-N 2 0 342.531 2.151 10 0 EEAERP [NH3+][C@@H](CCC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000237934597 464406548 /nfs/dbraw/zinc/40/65/48/464406548.db2.gz XQEIWCMLYUYUIE-SFHVURJKSA-N 2 0 326.444 2.158 10 0 EEAERP Fc1ccc(Cn2cc(C[NH2+]CCCC[NH+]3CCOCC3)cn2)cc1 ZINC000189046179 464422105 /nfs/dbraw/zinc/42/21/05/464422105.db2.gz OUAJNOJPPAIBSG-UHFFFAOYSA-N 2 0 346.450 2.273 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000246181016 464555519 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CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367620573 466453736 /nfs/dbraw/zinc/45/37/36/466453736.db2.gz DAHJXPPZSGAQAO-IPMKNSEASA-N 2 0 345.487 2.116 10 0 EEAERP C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471741 466754140 /nfs/dbraw/zinc/75/41/40/466754140.db2.gz HTMWUCGYJCKAOH-XJKSGUPXSA-N 2 0 327.419 2.275 10 0 EEAERP C1C[C@@H]([C@H]2CCCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)CO1 ZINC000423522245 466765933 /nfs/dbraw/zinc/76/59/33/466765933.db2.gz UHPBNKKTTIOOLU-RSYAAINLSA-N 2 0 335.536 2.388 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417224770 466808729 /nfs/dbraw/zinc/80/87/29/466808729.db2.gz WDJOMIGTVMTKEH-MJBXVCDLSA-N 2 0 346.466 2.039 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417240374 466812218 /nfs/dbraw/zinc/81/22/18/466812218.db2.gz PKLXPNQZKLXJOC-RDJZCZTQSA-N 2 0 332.492 2.496 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[NH+]2CCC1CC2 ZINC000376831233 466939099 /nfs/dbraw/zinc/93/90/99/466939099.db2.gz QRMFYXRUHYNQAB-QGZVFWFLSA-N 2 0 346.475 2.296 10 0 EEAERP CCn1nncc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000417860583 466959218 /nfs/dbraw/zinc/95/92/18/466959218.db2.gz VLJZKKKXRQNOBS-IYBDPMFKSA-N 2 0 343.475 2.197 10 0 EEAERP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417945253 466997372 /nfs/dbraw/zinc/99/73/72/466997372.db2.gz QPOIKNIHRYXQPI-YZYRWKSTSA-N 2 0 342.487 2.356 10 0 EEAERP C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418018040 467024824 /nfs/dbraw/zinc/02/48/24/467024824.db2.gz ZLTKNUYLPMPESW-BHIYHBOVSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418042526 467032184 /nfs/dbraw/zinc/03/21/84/467032184.db2.gz LVCCBTUPRTYWRK-WOJBJXKFSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000418070070 467038368 /nfs/dbraw/zinc/03/83/68/467038368.db2.gz TXZVVIZRBYSRBE-HZPDHXFCSA-N 2 0 332.492 2.453 10 0 EEAERP C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418180774 467067402 /nfs/dbraw/zinc/06/74/02/467067402.db2.gz KTBBKCOAOFWMFQ-BMGDILEWSA-N 2 0 330.476 2.214 10 0 EEAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418546428 467126988 /nfs/dbraw/zinc/12/69/88/467126988.db2.gz HKMXSAZFXYKWPX-QGZVFWFLSA-N 2 0 336.455 2.041 10 0 EEAERP CN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418764632 467157096 /nfs/dbraw/zinc/15/70/96/467157096.db2.gz KZIIUQPQMCKRCV-KZNAEPCWSA-N 2 0 330.476 2.030 10 0 EEAERP CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCCC2 ZINC000450970023 467217876 /nfs/dbraw/zinc/21/78/76/467217876.db2.gz MFQDZYJVZRZWCH-MSOLQXFVSA-N 2 0 349.519 2.057 10 0 EEAERP COCc1cccc(OCC2(C[NH+]3CCC(O)(C[NH3+])CC3)CCC2)c1 ZINC000420407497 467398292 /nfs/dbraw/zinc/39/82/92/467398292.db2.gz UFNDFMZWXJXQEI-UHFFFAOYSA-N 2 0 348.487 2.168 10 0 EEAERP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)CCN2)cc1 ZINC000415056277 467477318 /nfs/dbraw/zinc/47/73/18/467477318.db2.gz PRFQPDCMUZMZDS-KOQKOIQBSA-N 3 0 342.531 2.286 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+](C)C ZINC000454195862 467575749 /nfs/dbraw/zinc/57/57/49/467575749.db2.gz PLUAUOBKCULKCC-INIZCTEOSA-N 2 0 332.492 2.422 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCCOCC2)CC1 ZINC000449323997 467630812 /nfs/dbraw/zinc/63/08/12/467630812.db2.gz CLNHZFOJBAIGKR-LJQANCHMSA-N 2 0 345.531 2.394 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCCOCC2)CC1 ZINC000449323996 467631108 /nfs/dbraw/zinc/63/11/08/467631108.db2.gz CLNHZFOJBAIGKR-IBGZPJMESA-N 2 0 345.531 2.394 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000457915012 467728794 /nfs/dbraw/zinc/72/87/94/467728794.db2.gz QNMBRZBUIGOMLD-MOPGFXCFSA-N 2 0 346.519 2.283 10 0 EEAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000457919291 467729685 /nfs/dbraw/zinc/72/96/85/467729685.db2.gz XHMVDDXGMNMRFX-PKOBYXMFSA-N 2 0 346.519 2.285 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000459094569 467949264 /nfs/dbraw/zinc/94/92/64/467949264.db2.gz WZRQCJXCYDOGAN-BZSNNMDCSA-N 2 0 336.524 2.090 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000515239400 467981768 /nfs/dbraw/zinc/98/17/68/467981768.db2.gz DNCOBCRQDJGZAB-ULQDDVLXSA-N 2 0 337.489 2.021 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000516876089 468052666 /nfs/dbraw/zinc/05/26/66/468052666.db2.gz MPRXIVAUECRNGN-PVAVHDDUSA-N 2 0 339.549 2.145 10 0 EEAERP C[NH+](C)C1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCCC1 ZINC000582664145 468574634 /nfs/dbraw/zinc/57/46/34/468574634.db2.gz BLMAXKZDEYQQSV-QGZVFWFLSA-N 2 0 330.476 2.129 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000570265589 468613192 /nfs/dbraw/zinc/61/31/92/468613192.db2.gz XAROCOLRJCIYJJ-QGTPRVQTSA-N 2 0 330.476 2.332 10 0 EEAERP [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000557339432 468627170 /nfs/dbraw/zinc/62/71/70/468627170.db2.gz SHGZNANYNLGVDD-WBVHZDCISA-N 2 0 334.464 2.446 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594963449 468732314 /nfs/dbraw/zinc/73/23/14/468732314.db2.gz VOVNLLJUOALBJJ-DLYSWHJUSA-N 2 0 332.473 2.355 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000625776502 469382881 /nfs/dbraw/zinc/38/28/81/469382881.db2.gz JERXQDAFLBFSJN-SQNIBIBYSA-N 2 0 347.528 2.375 10 0 EEAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])c(Br)c1 ZINC000629536347 469573740 /nfs/dbraw/zinc/57/37/40/469573740.db2.gz GIEBXAQSTNFQEQ-NSHDSACASA-N 2 0 331.254 2.474 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2c3ccccc3OCC2=O)CC1(C)C ZINC000623431243 469655492 /nfs/dbraw/zinc/65/54/92/469655492.db2.gz ZTFCUZNQSJGGKV-HNNXBMFYSA-N 2 0 331.460 2.265 10 0 EEAERP CCc1cc(N2CCC([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)ncn1 ZINC000623439837 469657332 /nfs/dbraw/zinc/65/73/32/469657332.db2.gz ZMZANTSFPSAHBJ-KRWDZBQOSA-N 2 0 331.508 2.470 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000623744166 469750818 /nfs/dbraw/zinc/75/08/18/469750818.db2.gz OITRIEUOTHCRCF-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627241052 469854437 /nfs/dbraw/zinc/85/44/37/469854437.db2.gz AFKADLSZDATBHT-XLMAVXFVSA-N 2 0 330.476 2.041 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000624783944 470021559 /nfs/dbraw/zinc/02/15/59/470021559.db2.gz CDPUCMPGTHHHPQ-HKUYNNGSSA-N 2 0 348.535 2.425 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCCc2ncccc21)C(=O)NCC[NH+](C)C ZINC000631611153 470174539 /nfs/dbraw/zinc/17/45/39/470174539.db2.gz IDUDGDFQAXOVIZ-ROUUACIJSA-N 2 0 332.492 2.141 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)COC2CCC([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000646220937 470569395 /nfs/dbraw/zinc/56/93/95/470569395.db2.gz QUGKXMTZQLCSDK-ZTRSQXPZSA-N 2 0 345.487 2.052 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000635438406 470586542 /nfs/dbraw/zinc/58/65/42/470586542.db2.gz CUYGYJGUXJUNCR-MOPGFXCFSA-N 2 0 329.488 2.499 10 0 EEAERP COc1cccc([C@@H]2[C@@H](NC(=O)CC3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000646296310 470594554 /nfs/dbraw/zinc/59/45/54/470594554.db2.gz BNPRMQJJHFQVLZ-PKOBYXMFSA-N 2 0 343.471 2.361 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000646911757 470772609 /nfs/dbraw/zinc/77/26/09/470772609.db2.gz GIEQAEYRUHHEPZ-HKUYNNGSSA-N 2 0 345.487 2.183 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000650178926 470815663 /nfs/dbraw/zinc/81/56/63/470815663.db2.gz LZYGECOKEQWOET-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1C[NH3+] ZINC000650715051 470949136 /nfs/dbraw/zinc/94/91/36/470949136.db2.gz NDORMTDEURNQNZ-BHIYHBOVSA-N 2 0 334.460 2.040 10 0 EEAERP C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899125 471010860 /nfs/dbraw/zinc/01/08/60/471010860.db2.gz AEDDHPUYDOPHBQ-VYDXJSESSA-N 2 0 335.517 2.259 10 0 EEAERP C[N@@H+]1C[C@@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000644840512 471061886 /nfs/dbraw/zinc/06/18/86/471061886.db2.gz KQLBLBFWVNIBEV-AZUAARDMSA-N 2 0 329.488 2.297 10 0 EEAERP O=C(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)NC1CCCCC1 ZINC000657323468 471098205 /nfs/dbraw/zinc/09/82/05/471098205.db2.gz CCDLTUOFOLGKRE-UHFFFAOYSA-N 2 0 327.432 2.196 10 0 EEAERP CC(C)c1noc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657344599 471105353 /nfs/dbraw/zinc/10/53/53/471105353.db2.gz UIMHSIXOQXTPPP-UHFFFAOYSA-N 2 0 326.404 2.496 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NCCC2(C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000652167455 471249318 /nfs/dbraw/zinc/24/93/18/471249318.db2.gz UVXJXEQANGBEHL-WBVHZDCISA-N 2 0 330.476 2.078 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000652260530 471263387 /nfs/dbraw/zinc/26/33/87/471263387.db2.gz MULZIGAAPWLCLS-ZWJWXYIHSA-N 2 0 327.472 2.283 10 0 EEAERP CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663633268 471455805 /nfs/dbraw/zinc/45/58/05/471455805.db2.gz DFBPXWHBONASRG-FGTMMUONSA-N 2 0 338.540 2.480 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659031811 471475270 /nfs/dbraw/zinc/47/52/70/471475270.db2.gz OELRFQCLSQRXAJ-YOEHRIQHSA-N 2 0 334.464 2.199 10 0 EEAERP CC1CC[NH+]([C@H](CNC(=O)NC/C=C/C[NH3+])c2ccccc2)CC1 ZINC000669402660 471479821 /nfs/dbraw/zinc/47/98/21/471479821.db2.gz YNJFASMZTIQXAW-DUMMIQTOSA-N 2 0 330.476 2.274 10 0 EEAERP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659040331 471482461 /nfs/dbraw/zinc/48/24/61/471482461.db2.gz FLCJGRACRISXSB-KRWDZBQOSA-N 2 0 346.475 2.343 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)NC/C=C\C[NH3+])CCCC1)c1ccccc1 ZINC000669479725 471513177 /nfs/dbraw/zinc/51/31/77/471513177.db2.gz QUQZMHIWPIIZPY-PTZVLDCSSA-N 2 0 330.476 2.464 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655913463 471535604 /nfs/dbraw/zinc/53/56/04/471535604.db2.gz UNQOHWDEWDUYCZ-AWEZNQCLSA-N 2 0 346.397 2.217 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000653214320 471539461 /nfs/dbraw/zinc/53/94/61/471539461.db2.gz PTEUYECTKZJNMR-SFHVURJKSA-N 2 0 336.439 2.074 10 0 EEAERP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669555688 471549979 /nfs/dbraw/zinc/54/99/79/471549979.db2.gz AQMBLQNDKCDHHJ-ABSDTBQOSA-N 2 0 348.535 2.425 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663909602 471573067 /nfs/dbraw/zinc/57/30/67/471573067.db2.gz OLZJIKULDDZQTB-IRXDYDNUSA-N 2 0 348.491 2.461 10 0 EEAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380135 471599109 /nfs/dbraw/zinc/59/91/09/471599109.db2.gz AQWXWPQBVURRQQ-WDSOQIARSA-N 2 0 341.499 2.403 10 0 EEAERP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659382595 471600136 /nfs/dbraw/zinc/60/01/36/471600136.db2.gz QTTRDGHRBVHPBN-SJLPKXTDSA-N 2 0 329.488 2.260 10 0 EEAERP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000659427727 471621434 /nfs/dbraw/zinc/62/14/34/471621434.db2.gz SDTIMWJESCMKBL-UUCFBXCCSA-N 2 0 334.489 2.018 10 0 EEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659457080 471636178 /nfs/dbraw/zinc/63/61/78/471636178.db2.gz XXDDNDCGKOVMIT-ZTFGCOKTSA-N 2 0 348.466 2.293 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000659467491 471642470 /nfs/dbraw/zinc/64/24/70/471642470.db2.gz NOHBNAYPHWZOAU-RDJZCZTQSA-N 2 0 338.540 2.384 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659470187 471643747 /nfs/dbraw/zinc/64/37/47/471643747.db2.gz XWYAYOHGZQCNDI-GUDVDZBRSA-N 2 0 344.503 2.306 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396804 471740524 /nfs/dbraw/zinc/74/05/24/471740524.db2.gz MHIYRRJLPDOXFP-IAGOWNOFSA-N 2 0 332.492 2.461 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000656698167 471810844 /nfs/dbraw/zinc/81/08/44/471810844.db2.gz JWOSCCFMFVVZLH-ICSRJNTNSA-N 2 0 333.520 2.284 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664630179 471816320 /nfs/dbraw/zinc/81/63/20/471816320.db2.gz QPCAELBVLBYWEF-RYRKJORJSA-N 2 0 336.524 2.375 10 0 EEAERP C[N@H+](CCO[C@H]1CC1(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000659990810 471818021 /nfs/dbraw/zinc/81/80/21/471818021.db2.gz HQBKDLPWGCLTJI-KRWDZBQOSA-N 2 0 339.430 2.445 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000660324042 471944352 /nfs/dbraw/zinc/94/43/52/471944352.db2.gz HEUPSXXIUYBQRT-KRWDZBQOSA-N 2 0 332.492 2.420 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000654471007 471971387 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XDEMGGXYPXVNDI-ROUUACIJSA-N 2 0 346.471 2.197 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000668419215 472122135 /nfs/dbraw/zinc/12/21/35/472122135.db2.gz XXGXVFQHVICWJC-CQSZACIVSA-N 2 0 342.443 2.484 10 0 EEAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501785 472130350 /nfs/dbraw/zinc/13/03/50/472130350.db2.gz FGGUVUWOMRTMOB-HSALFYBXSA-N 2 0 341.499 2.499 10 0 EEAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662501786 472130651 /nfs/dbraw/zinc/13/06/51/472130651.db2.gz FGGUVUWOMRTMOB-VAMGGRTRSA-N 2 0 341.499 2.499 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)C3([NH2+]C4CC4)CCC3)CCCC2)CC1 ZINC000662725876 472223897 /nfs/dbraw/zinc/22/38/97/472223897.db2.gz ILORMYKJXQSMRG-UHFFFAOYSA-N 2 0 349.519 2.201 10 0 EEAERP Cn1ccnc1N1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000668793536 472271446 /nfs/dbraw/zinc/27/14/46/472271446.db2.gz FOSSADXOMFVLTD-UHFFFAOYSA-N 2 0 340.456 2.261 10 0 EEAERP 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CCN1CC[NH+](CCCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925544552 684260797 /nfs/dbraw/zinc/26/07/97/684260797.db2.gz AQLAGTMTSUQJOW-UXHICEINSA-N 3 0 336.568 2.162 10 0 EEAERP C[NH+]1C[C@@]2(C)CN(CCc3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000931308919 684948676 /nfs/dbraw/zinc/94/86/76/684948676.db2.gz XXNOHRLFUGNCQN-OALUTQOASA-N 2 0 326.444 2.152 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000896989127 686037679 /nfs/dbraw/zinc/03/76/79/686037679.db2.gz ONFRMCBSADHCNR-MJGOQNOKSA-N 2 0 345.487 2.429 10 0 EEAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCc2ccccc2)C1 ZINC001485532464 1191829692 /nfs/dbraw/zinc/82/96/92/1191829692.db2.gz HFVPOIQTXQAWCV-PKOBYXMFSA-N 2 0 343.515 2.398 10 0 EEAERP CCCCOCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485570279 1191839499 /nfs/dbraw/zinc/83/94/99/1191839499.db2.gz BMGVIKVPUKKEIG-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCCCF)CC2(C)C)CC1 ZINC001485576736 1191844542 /nfs/dbraw/zinc/84/45/42/1191844542.db2.gz HIQWQOSGOAWAGS-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2C1 ZINC001485657977 1191878929 /nfs/dbraw/zinc/87/89/29/1191878929.db2.gz QJRQBLNTBNUFBQ-HSALFYBXSA-N 2 0 343.515 2.398 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001485687848 1191897886 /nfs/dbraw/zinc/89/78/86/1191897886.db2.gz PLTUSAJYIPFZAJ-JOCQHMNTSA-N 2 0 333.398 2.052 10 0 EEAERP Cc1cnc(C[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)s1 ZINC001485723864 1191910318 /nfs/dbraw/zinc/91/03/18/1191910318.db2.gz JVRGKORKXWOYMP-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001485726838 1191911935 /nfs/dbraw/zinc/91/19/35/1191911935.db2.gz HTMZWXLUUQYWCP-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813127 1191977225 /nfs/dbraw/zinc/97/72/25/1191977225.db2.gz GDMHJNPRPFPHIC-RBUKOAKNSA-N 2 0 344.503 2.283 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCOC)CC1 ZINC001266392365 1176466333 /nfs/dbraw/zinc/46/63/33/1176466333.db2.gz HGJWSEPYLNUKDC-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001266459695 1176574545 /nfs/dbraw/zinc/57/45/45/1176574545.db2.gz SQLHLWUFZWKOQJ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001266495373 1176638780 /nfs/dbraw/zinc/63/87/80/1176638780.db2.gz LNGBLFNHUHJAON-PKOBYXMFSA-N 2 0 349.519 2.036 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001266759886 1177367722 /nfs/dbraw/zinc/36/77/22/1177367722.db2.gz LOMSEZIGMXVMOK-GOSISDBHSA-N 2 0 345.487 2.051 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001266766947 1177382397 /nfs/dbraw/zinc/38/23/97/1177382397.db2.gz JPRKXAYZHWIVKY-AWEZNQCLSA-N 2 0 337.430 2.499 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001266865637 1177620035 /nfs/dbraw/zinc/62/00/35/1177620035.db2.gz YHCATUNOWZLVEW-NVXWUHKLSA-N 2 0 335.517 2.356 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001266876627 1177688505 /nfs/dbraw/zinc/68/85/05/1177688505.db2.gz CREWNESGPZCSCK-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccccc1CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691324322 1177912882 /nfs/dbraw/zinc/91/28/82/1177912882.db2.gz ATOXKCAWRURHBU-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001267041898 1178137552 /nfs/dbraw/zinc/13/75/52/1178137552.db2.gz TUIMDNAZAOTRSK-FRRDWIJNSA-N 2 0 334.291 2.084 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC(F)(F)C1 ZINC001267163299 1178364326 /nfs/dbraw/zinc/36/43/26/1178364326.db2.gz QOCAUOPQWWWGAI-CVEARBPZSA-N 2 0 343.462 2.487 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCOC(C)C)CC[N@@H+]1C ZINC001267268281 1178646842 /nfs/dbraw/zinc/64/68/42/1178646842.db2.gz YQSSNUCDFSVVAS-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C1CCC1 ZINC001267393696 1178964276 /nfs/dbraw/zinc/96/42/76/1178964276.db2.gz QCOWOLXBOOUFKG-GOSISDBHSA-N 2 0 344.459 2.119 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001267454159 1179033705 /nfs/dbraw/zinc/03/37/05/1179033705.db2.gz VSVNUTMJSCQWMC-SFHVURJKSA-N 2 0 344.459 2.224 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(COC)cc1 ZINC001480976266 1179409149 /nfs/dbraw/zinc/40/91/49/1179409149.db2.gz ZWAFGLVSHDMEBH-VQIMIIECSA-N 2 0 347.503 2.111 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267587889 1179557441 /nfs/dbraw/zinc/55/74/41/1179557441.db2.gz RVCPQHGJKGHRHN-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481091778 1179718799 /nfs/dbraw/zinc/71/87/99/1179718799.db2.gz AROPBDMGICOLIB-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C)nc1C ZINC001481132692 1179872113 /nfs/dbraw/zinc/87/21/13/1179872113.db2.gz WTDYUIXMJKWLGD-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267633877 1180059655 /nfs/dbraw/zinc/05/96/55/1180059655.db2.gz SSHBQERYXQKZOZ-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001481252357 1180473824 /nfs/dbraw/zinc/47/38/24/1180473824.db2.gz ROEYQGZUHAQACA-SFHVURJKSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001481280531 1180772320 /nfs/dbraw/zinc/77/23/20/1180772320.db2.gz SZUDSJLWDPWTPD-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001267955792 1180834970 /nfs/dbraw/zinc/83/49/70/1180834970.db2.gz IJJLBRMUWIQIRQ-MOPGFXCFSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001481342297 1181075906 /nfs/dbraw/zinc/07/59/06/1181075906.db2.gz DYWRSBVWFMJERX-AWEZNQCLSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268069715 1181664414 /nfs/dbraw/zinc/66/44/14/1181664414.db2.gz ZYFGDSSQAVFYLU-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268368940 1182349883 /nfs/dbraw/zinc/34/98/83/1182349883.db2.gz NWFIJLYWDDGNIM-CYBMUJFWSA-N 2 0 336.480 2.014 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@@]2(C[NH2+]CCF)CCCC[C@H]2C)CC1 ZINC001481961682 1183044691 /nfs/dbraw/zinc/04/46/91/1183044691.db2.gz NTWFXVFFRHEVTJ-SJLPKXTDSA-N 2 0 327.488 2.343 10 0 EEAERP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001482034488 1183184828 /nfs/dbraw/zinc/18/48/28/1183184828.db2.gz PDRPREAPVCINCQ-OAHLLOKOSA-N 2 0 335.467 2.482 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001482114081 1183344501 /nfs/dbraw/zinc/34/45/01/1183344501.db2.gz XXFNPNLAAOAVPD-QGZVFWFLSA-N 2 0 344.503 2.108 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cccc(F)c1Cl ZINC001268626212 1183544546 /nfs/dbraw/zinc/54/45/46/1183544546.db2.gz ZGXYRWYPHZICEY-OWOJBTEDSA-N 2 0 339.842 2.337 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001482192398 1183623082 /nfs/dbraw/zinc/62/30/82/1183623082.db2.gz KCGVWTCCQPPPLF-KRWDZBQOSA-N 2 0 344.459 2.264 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF)[NH+]1CCCCC1 ZINC001268757639 1183677463 /nfs/dbraw/zinc/67/74/63/1183677463.db2.gz DJVDDTHCDGBGMO-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001268914623 1183823062 /nfs/dbraw/zinc/82/30/62/1183823062.db2.gz DVUHBNBPFZZGLQ-UHFFFAOYSA-N 2 0 349.906 2.416 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001269069804 1183934160 /nfs/dbraw/zinc/93/41/60/1183934160.db2.gz VUXWQIPMBVWDEN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001269765830 1184603279 /nfs/dbraw/zinc/60/32/79/1184603279.db2.gz LSLWRKJHZWKIOV-NVXWUHKLSA-N 2 0 348.491 2.043 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001270221330 1184933867 /nfs/dbraw/zinc/93/38/67/1184933867.db2.gz DOIHGGQZDRJHOP-MSOLQXFVSA-N 2 0 337.508 2.011 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283895 1185059246 /nfs/dbraw/zinc/05/92/46/1185059246.db2.gz RHKAJPCTUVPSMP-JFIYKMOQSA-N 2 0 347.503 2.280 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCOc1ccccc1 ZINC001482285093 1185066838 /nfs/dbraw/zinc/06/68/38/1185066838.db2.gz UPOLKSHTSRQDPI-HKUYNNGSSA-N 2 0 347.503 2.375 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329986 1185412280 /nfs/dbraw/zinc/41/22/80/1185412280.db2.gz GEWOTRSVMJMMAS-CVRCPQJVSA-N 2 0 329.488 2.478 10 0 EEAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001482421053 1185665859 /nfs/dbraw/zinc/66/58/59/1185665859.db2.gz HCVSTJOEVZTBKQ-IRXDYDNUSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280364903 1185883052 /nfs/dbraw/zinc/88/30/52/1185883052.db2.gz HYGBSVWZYJOCLM-JYJNAYRXSA-N 2 0 327.488 2.483 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001271601178 1186332459 /nfs/dbraw/zinc/33/24/59/1186332459.db2.gz WMZOGGNAMMNAGP-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1 ZINC001482570063 1186904081 /nfs/dbraw/zinc/90/40/81/1186904081.db2.gz JXWZITNPGKOFTP-MOPGFXCFSA-N 2 0 331.504 2.301 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)C[NH+](C)CC(C)(C)C ZINC001482628335 1187453133 /nfs/dbraw/zinc/45/31/33/1187453133.db2.gz NUIABSVWIJKYAK-KRWDZBQOSA-N 2 0 341.540 2.314 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(C2CC2)n1)NC(=O)C[NH+]1CCCC1 ZINC001482899218 1187811286 /nfs/dbraw/zinc/81/12/86/1187811286.db2.gz NDFQZHFMIBREOU-CYBMUJFWSA-N 2 0 336.505 2.101 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889432 1187815454 /nfs/dbraw/zinc/81/54/54/1187815454.db2.gz CEIJAWCXQALFLH-OAHLLOKOSA-N 2 0 333.451 2.214 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001482891365 1187818262 /nfs/dbraw/zinc/81/82/62/1187818262.db2.gz MWUIYSCNASOYLH-QWRGUYRKSA-N 2 0 332.901 2.121 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482902371 1187827906 /nfs/dbraw/zinc/82/79/06/1187827906.db2.gz QQESAPXSQXBJLQ-CQSZACIVSA-N 2 0 344.459 2.343 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001483015578 1188002487 /nfs/dbraw/zinc/00/24/87/1188002487.db2.gz MXQGSWNXYDMSGH-NHZBNJEXSA-N 2 0 329.435 2.168 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@@H]2C1 ZINC001691570678 1188271152 /nfs/dbraw/zinc/27/11/52/1188271152.db2.gz OJIKVHBJSABQFV-CABCVRRESA-N 2 0 349.441 2.451 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cccc(N(C)C)c1 ZINC001691619096 1188319785 /nfs/dbraw/zinc/31/97/85/1188319785.db2.gz BJTJEVDKGVLMKM-IRXDYDNUSA-N 2 0 346.519 2.173 10 0 EEAERP Cc1conc1C[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001272223676 1188379292 /nfs/dbraw/zinc/37/92/92/1188379292.db2.gz IJSCNHKZYNYYLV-WMZOPIPTSA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001483071057 1188422480 /nfs/dbraw/zinc/42/24/80/1188422480.db2.gz TYTPQBZWVGHWOD-RXYHWBRQSA-N 2 0 343.462 2.416 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001483081954 1188443505 /nfs/dbraw/zinc/44/35/05/1188443505.db2.gz HZMXWBSYGPYJFC-SHCNBLLESA-N 2 0 329.488 2.407 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483193113 1189078836 /nfs/dbraw/zinc/07/88/36/1189078836.db2.gz ROQSEDPEGJMCPC-VXGBXAGGSA-N 2 0 327.831 2.025 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001409346476 1189553480 /nfs/dbraw/zinc/55/34/80/1189553480.db2.gz DKFQXLUVJDAZPG-GHMZBOCLSA-N 2 0 344.912 2.264 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001409346495 1189553675 /nfs/dbraw/zinc/55/36/75/1189553675.db2.gz DKFQXLUVJDAZPG-WDEREUQCSA-N 2 0 344.912 2.264 10 0 EEAERP C[C@@H](F)CC[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001409458832 1189706856 /nfs/dbraw/zinc/70/68/56/1189706856.db2.gz WKCZBSWGVAKRDE-QQFBHYJXSA-N 2 0 325.472 2.190 10 0 EEAERP C[C@@H]1[C@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000905647327 1189846847 /nfs/dbraw/zinc/84/68/47/1189846847.db2.gz DFKCNVPHUBQZPY-CRAIPNDOSA-N 2 0 346.544 2.208 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001485945429 1193654524 /nfs/dbraw/zinc/65/45/24/1193654524.db2.gz OHYVGYKEXIPPHZ-IRXDYDNUSA-N 2 0 346.519 2.031 10 0 EEAERP COc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001409654681 1190153232 /nfs/dbraw/zinc/15/32/32/1190153232.db2.gz UZNFVXCBYMIXMD-JKSUJKDBSA-N 2 0 345.487 2.289 10 0 EEAERP CCc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001409681006 1190180768 /nfs/dbraw/zinc/18/07/68/1190180768.db2.gz LLGRUUCIKHEQER-KRWDZBQOSA-N 2 0 331.504 2.324 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483266952 1190292375 /nfs/dbraw/zinc/29/23/75/1190292375.db2.gz XTYRFCJAGSUEIO-HOTGVXAUSA-N 2 0 327.513 2.018 10 0 EEAERP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284894 1190309901 /nfs/dbraw/zinc/30/99/01/1190309901.db2.gz VRMHAFBCYCRQHT-YJBOKZPZSA-N 2 0 327.472 2.254 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483338717 1190369374 /nfs/dbraw/zinc/36/93/74/1190369374.db2.gz IKALBXGTHIUBFK-APWZRJJASA-N 2 0 329.488 2.007 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001483444443 1190482437 /nfs/dbraw/zinc/48/24/37/1190482437.db2.gz WEOSMTZICSCQNA-CVEARBPZSA-N 2 0 348.491 2.089 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483455935 1190485038 /nfs/dbraw/zinc/48/50/38/1190485038.db2.gz IMRORQHIBCVASW-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001483495764 1190511797 /nfs/dbraw/zinc/51/17/97/1190511797.db2.gz JCGXTPIYSJMWNL-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP CN(CCC[NH2+]Cc1nsc2ccccc12)C(=O)C[NH+]1CCCC1 ZINC001483509269 1190523813 /nfs/dbraw/zinc/52/38/13/1190523813.db2.gz HRBOEJFGJSXZEH-UHFFFAOYSA-N 2 0 346.500 2.330 10 0 EEAERP CN(CCC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483510064 1190524155 /nfs/dbraw/zinc/52/41/55/1190524155.db2.gz VVNQDACOIVBWRY-MRXNPFEDSA-N 2 0 329.444 2.323 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483587246 1190573538 /nfs/dbraw/zinc/57/35/38/1190573538.db2.gz BMVYDSXCTKGFFE-AUUYWEPGSA-N 2 0 347.478 2.460 10 0 EEAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001486120252 1193687472 /nfs/dbraw/zinc/68/74/72/1193687472.db2.gz MWILSCRXURKREU-HUUCEWRRSA-N 2 0 327.432 2.260 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486122561 1193688109 /nfs/dbraw/zinc/68/81/09/1193688109.db2.gz RWCAQYHYSQWNGP-WMZOPIPTSA-N 2 0 346.519 2.173 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409819969 1190651846 /nfs/dbraw/zinc/65/18/46/1190651846.db2.gz AXBIIZDNURQAQN-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP O=C(NCC1([NH2+]CC[C@H]2CCCC2(F)F)CC1)C12CC[NH+](CC1)C2 ZINC001483784855 1191026978 /nfs/dbraw/zinc/02/69/78/1191026978.db2.gz VRDBCRLBPHUIOK-CQSZACIVSA-N 2 0 341.446 2.146 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001483907865 1191120083 /nfs/dbraw/zinc/12/00/83/1191120083.db2.gz FMVBQGGQAMZERP-GJZGRUSLSA-N 2 0 336.480 2.219 10 0 EEAERP Cc1cncn1CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001484053029 1191177292 /nfs/dbraw/zinc/17/72/92/1191177292.db2.gz ZFKXVCLRVSXBKR-GOSISDBHSA-N 2 0 330.407 2.111 10 0 EEAERP COCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484092731 1191206975 /nfs/dbraw/zinc/20/69/75/1191206975.db2.gz BPLPPBGDZJXDLJ-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001484401132 1191335410 /nfs/dbraw/zinc/33/54/10/1191335410.db2.gz GHODNIXWOMAUEW-ZWKOTPCHSA-N 2 0 335.467 2.305 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484536627 1191404171 /nfs/dbraw/zinc/40/41/71/1191404171.db2.gz SLLXZSXTALKWKA-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CCc1nocc1C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001484663384 1191463333 /nfs/dbraw/zinc/46/33/33/1191463333.db2.gz RWCMPMCUATZXEH-GJZGRUSLSA-N 2 0 348.491 2.238 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]Cc2cnoc2C)CC1)[NH+](C)C ZINC001484816064 1191535029 /nfs/dbraw/zinc/53/50/29/1191535029.db2.gz BQHBAWWPUFBZLJ-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484928101 1191574129 /nfs/dbraw/zinc/57/41/29/1191574129.db2.gz HAXYXXCQZJBCHS-UHFFFAOYSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cnc(Cl)s2)CC1 ZINC001484921236 1191576096 /nfs/dbraw/zinc/57/60/96/1191576096.db2.gz RCMXCPDKXANFMF-UHFFFAOYSA-N 2 0 344.912 2.219 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCOCC)C1 ZINC001485067733 1191635771 /nfs/dbraw/zinc/63/57/71/1191635771.db2.gz TXHNQLVUYDRFCZ-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CCC[C@@H]1CCOC1 ZINC001485080930 1191649933 /nfs/dbraw/zinc/64/99/33/1191649933.db2.gz XQVKLVLUQWALPR-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001485093989 1191653675 /nfs/dbraw/zinc/65/36/75/1191653675.db2.gz MFAVMAMBUHOMQM-YIZWMMSDSA-N 2 0 336.307 2.376 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001485096224 1191654245 /nfs/dbraw/zinc/65/42/45/1191654245.db2.gz SWUNNRVWJSXLOU-DQPZFDDXSA-N 2 0 335.517 2.259 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2nc(C)sc2C)C1 ZINC001485109403 1191657285 /nfs/dbraw/zinc/65/72/85/1191657285.db2.gz ZSQVWRCXYVCRPL-UHFFFAOYSA-N 2 0 338.521 2.086 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)sc1C ZINC001485217140 1191689343 /nfs/dbraw/zinc/68/93/43/1191689343.db2.gz QXHDJOUDFBYNOI-RYUDHWBXSA-N 2 0 326.510 2.085 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485205138 1191692602 /nfs/dbraw/zinc/69/26/02/1191692602.db2.gz AXGQGJJEZYJMGV-CVEARBPZSA-N 2 0 331.504 2.500 10 0 EEAERP Cc1ccccc1OCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001485288956 1191720882 /nfs/dbraw/zinc/72/08/82/1191720882.db2.gz XUTOSRFXHHZPOT-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP COCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001485305394 1191736099 /nfs/dbraw/zinc/73/60/99/1191736099.db2.gz CHYYKFFJJICWRU-GPMSIDNRSA-N 2 0 347.503 2.110 10 0 EEAERP Cc1cc(C)cc(OCC[NH+](C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001485386087 1191774121 /nfs/dbraw/zinc/77/41/21/1191774121.db2.gz TYBKXHUMHSDQSN-MSOLQXFVSA-N 2 0 347.503 2.070 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)C1 ZINC001485455911 1191792014 /nfs/dbraw/zinc/79/20/14/1191792014.db2.gz AGNLPJIREMCDOS-KRWDZBQOSA-N 2 0 344.503 2.332 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001486221550 1193758849 /nfs/dbraw/zinc/75/88/49/1193758849.db2.gz TUHBBKHLZVVLMG-ROUUACIJSA-N 2 0 347.503 2.410 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001486410613 1193918694 /nfs/dbraw/zinc/91/86/94/1193918694.db2.gz MFWMIXQPOJMFHB-CRAIPNDOSA-N 2 0 346.519 2.352 10 0 EEAERP CC[C@H](F)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001486446728 1193960968 /nfs/dbraw/zinc/96/09/68/1193960968.db2.gz XIMMQCPULZRKIC-HOCLYGCPSA-N 2 0 327.488 2.436 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC001486448762 1193963948 /nfs/dbraw/zinc/96/39/48/1193963948.db2.gz AGOFTXZBHYNMCM-MPGHIAIKSA-N 2 0 347.507 2.095 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001410406837 1197814820 /nfs/dbraw/zinc/81/48/20/1197814820.db2.gz JFQMQRDCXDTRCU-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)CS(C)(=O)=O ZINC000872158033 1198065629 /nfs/dbraw/zinc/06/56/29/1198065629.db2.gz SAAUPAQRXXZQEY-BFYDXBDKSA-N 2 0 330.538 2.287 10 0 EEAERP C[C@H](O)c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000865487938 1198243305 /nfs/dbraw/zinc/24/33/05/1198243305.db2.gz WGVYHHCKUHMDFR-INIZCTEOSA-N 2 0 341.459 2.154 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000865674117 1198326316 /nfs/dbraw/zinc/32/63/16/1198326316.db2.gz OABUKOUFOQFGMV-CQSZACIVSA-N 2 0 330.432 2.455 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)s2)C[C@@H]1C ZINC001410880572 1198529069 /nfs/dbraw/zinc/52/90/69/1198529069.db2.gz MNCDBUCCURYGGP-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001410909400 1198575590 /nfs/dbraw/zinc/57/55/90/1198575590.db2.gz NJJLMDAALUSQPF-AZUAARDMSA-N 2 0 344.503 2.343 10 0 EEAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001410969678 1198647830 /nfs/dbraw/zinc/64/78/30/1198647830.db2.gz CNWIMWGTNCZJIN-GOEBONIOSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)cn1 ZINC001410970116 1198648055 /nfs/dbraw/zinc/64/80/55/1198648055.db2.gz CUDQZOSYTHJLFC-RDJZCZTQSA-N 2 0 347.507 2.014 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001411251617 1198974268 /nfs/dbraw/zinc/97/42/68/1198974268.db2.gz COULCSHESDEAOY-ACBHZAAOSA-N 2 0 344.503 2.281 10 0 EEAERP C[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000875295223 1199201750 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329.444 2.177 10 0 EEAERP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710198 1201587133 /nfs/dbraw/zinc/58/71/33/1201587133.db2.gz OSQJBCKZYUOJBG-MPESAESLSA-N 2 0 335.835 2.268 10 0 EEAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714027 1201587458 /nfs/dbraw/zinc/58/74/58/1201587458.db2.gz DIDQDFURFKYRCJ-VQHPVUNQSA-N 2 0 333.407 2.144 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC000130679398 1201992488 /nfs/dbraw/zinc/99/24/88/1201992488.db2.gz XFJQYHDRJWGRHG-CQSZACIVSA-N 2 0 348.466 2.294 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)[NH+]1CCCCC1 ZINC001274025838 1204332071 /nfs/dbraw/zinc/33/20/71/1204332071.db2.gz NLARUEKXGWQEGQ-SNAWJCMRSA-N 2 0 335.414 2.465 10 0 EEAERP O=C(CCc1c[nH]cn1)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001274083052 1204361946 /nfs/dbraw/zinc/36/19/46/1204361946.db2.gz XQRDFGLISHFHJQ-QFRLHKFZSA-N 2 0 342.418 2.431 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001274578679 1205085944 /nfs/dbraw/zinc/08/59/44/1205085944.db2.gz MBJVQZXSXNJBRM-WDPZBSBESA-N 2 0 327.472 2.278 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)Cc1ccnc(Cl)c1 ZINC001275690841 1205486312 /nfs/dbraw/zinc/48/63/12/1205486312.db2.gz XVOTZHLWKJDHLI-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ns1 ZINC001276033845 1205643153 /nfs/dbraw/zinc/64/31/53/1205643153.db2.gz HVLIYVHMGKGWBA-MRXNPFEDSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001276209626 1205834399 /nfs/dbraw/zinc/83/43/99/1205834399.db2.gz XZWLVDJXNFLFRG-CYBMUJFWSA-N 2 0 327.419 2.416 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001276214634 1205840651 /nfs/dbraw/zinc/84/06/51/1205840651.db2.gz LASNIYLYLGUQMQ-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001276259396 1205859350 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O=C1O[C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925849197 1206160106 /nfs/dbraw/zinc/16/01/06/1206160106.db2.gz BRBLQIRRLXWZGI-HOCLYGCPSA-N 2 0 348.418 2.314 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000925849463 1206160624 /nfs/dbraw/zinc/16/06/24/1206160624.db2.gz JHDZWZDEYBVSSL-SZMVWBNQSA-N 2 0 343.471 2.383 10 0 EEAERP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853044 1206160895 /nfs/dbraw/zinc/16/08/95/1206160895.db2.gz XRENPNCUZHDKSY-DOMZBBRYSA-N 2 0 348.418 2.097 10 0 EEAERP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852451 1206161030 /nfs/dbraw/zinc/16/10/30/1206161030.db2.gz UXFFMFCPOJPWHC-PVAVHDDUSA-N 2 0 332.444 2.038 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC1CCOCC1 ZINC000925878776 1206163521 /nfs/dbraw/zinc/16/35/21/1206163521.db2.gz ZMIROZLJFIQLPJ-IEBWSBKVSA-N 2 0 332.444 2.028 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1cccnc1 ZINC000925897047 1206164940 /nfs/dbraw/zinc/16/49/40/1206164940.db2.gz KVMIFBFCNGMAII-GOSISDBHSA-N 2 0 347.507 2.058 10 0 EEAERP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000926166251 1206200613 /nfs/dbraw/zinc/20/06/13/1206200613.db2.gz VUGWSMOTXPHOJT-CVEARBPZSA-N 2 0 334.489 2.107 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000926167246 1206200764 /nfs/dbraw/zinc/20/07/64/1206200764.db2.gz SVSIRBATCKSRTA-UHFFFAOYSA-N 2 0 343.406 2.254 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1 ZINC000928085271 1206337444 /nfs/dbraw/zinc/33/74/44/1206337444.db2.gz HJAWZEMFPOPBBE-KSZLIROESA-N 2 0 347.528 2.375 10 0 EEAERP O=S1(=O)CCC[C@H]1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930076882 1206533226 /nfs/dbraw/zinc/53/32/26/1206533226.db2.gz CEZYNJUUVZPKKP-KRWDZBQOSA-N 2 0 328.522 2.152 10 0 EEAERP C[N@H+](CCO[C@H]1CCOC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930170057 1206538991 /nfs/dbraw/zinc/53/89/91/1206538991.db2.gz QYQBASMNHUPNIS-IBGZPJMESA-N 2 0 333.476 2.425 10 0 EEAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000930439287 1206557839 /nfs/dbraw/zinc/55/78/39/1206557839.db2.gz JAPKNAOAXRYTBU-INIZCTEOSA-N 2 0 327.428 2.162 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](COC)C(C)C)CC2)CC1 ZINC000930750692 1206579750 /nfs/dbraw/zinc/57/97/50/1206579750.db2.gz OVLYINKJYHQFMU-SFHVURJKSA-N 2 0 325.541 2.397 10 0 EEAERP CN(C)c1ccc(NC(=O)CC[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)cc1 ZINC000931314432 1206624153 /nfs/dbraw/zinc/62/41/53/1206624153.db2.gz OPAXDNZKFMZFGC-BGYRXZFFSA-N 2 0 344.503 2.355 10 0 EEAERP Cc1nnc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000931746380 1207455284 /nfs/dbraw/zinc/45/52/84/1207455284.db2.gz DRKBCELZCLJZND-ZWKOTPCHSA-N 2 0 326.444 2.374 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717906317 1211501027 /nfs/dbraw/zinc/50/10/27/1211501027.db2.gz JZGYJYVPYMSHKH-SFHVURJKSA-N 2 0 348.487 2.145 10 0 EEAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902793880 1238547581 /nfs/dbraw/zinc/54/75/81/1238547581.db2.gz OAAJECKJQYYUKG-IEBWSBKVSA-N 2 0 331.504 2.243 10 0 EEAERP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC[NH+](C2CCOCC2)CC1 ZINC000903047354 1239614058 /nfs/dbraw/zinc/61/40/58/1239614058.db2.gz MCTVTWBPVWMSHM-WKWVNEEDSA-N 2 0 334.504 2.281 10 0 EEAERP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903083986 1239690801 /nfs/dbraw/zinc/69/08/01/1239690801.db2.gz SCNMMBKQPRWPTD-VAMGGRTRSA-N 2 0 330.472 2.436 10 0 EEAERP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903497197 1240676848 /nfs/dbraw/zinc/67/68/48/1240676848.db2.gz PYLNRDUMAFQQGX-SJLPKXTDSA-N 2 0 347.503 2.222 10 0 EEAERP CCOC(=O)CCCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507358 1240722125 /nfs/dbraw/zinc/72/21/25/1240722125.db2.gz XEZUXMKQMGJRAX-HDICACEKSA-N 2 0 337.508 2.011 10 0 EEAERP COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913988 1242460029 /nfs/dbraw/zinc/46/00/29/1242460029.db2.gz RBHOBTBSNSTSNR-UYAOXDASSA-N 2 0 344.503 2.035 10 0 EEAERP C[C@H](CCCc1cccnc1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903929040 1242537852 /nfs/dbraw/zinc/53/78/52/1242537852.db2.gz ADFYSFUWIUXOPF-NVXWUHKLSA-N 2 0 328.464 2.099 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000903931587 1242550789 /nfs/dbraw/zinc/55/07/89/1242550789.db2.gz FSSWLDDREPLONC-IRXDYDNUSA-N 2 0 340.475 2.109 10 0 EEAERP CCC1([NH3+])CC[NH+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000903946888 1242652797 /nfs/dbraw/zinc/65/27/97/1242652797.db2.gz HDCOAXZBPAUQFA-UHFFFAOYSA-N 2 0 328.460 2.188 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)n1 ZINC000827205396 1250738294 /nfs/dbraw/zinc/73/82/94/1250738294.db2.gz MGHKNUKPUPWIQI-SOUVJXGZSA-N 2 0 336.867 2.176 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001490921850 1258488997 /nfs/dbraw/zinc/48/89/97/1258488997.db2.gz IVTQETUYKRDYQT-MGPQQGTHSA-N 2 0 329.435 2.000 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001491025961 1258584179 /nfs/dbraw/zinc/58/41/79/1258584179.db2.gz QYCMNGUVJGNPJK-OIISXLGYSA-N 2 0 345.487 2.477 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001491169885 1258737892 /nfs/dbraw/zinc/73/78/92/1258737892.db2.gz HIXFKRFGBTZSFR-IBGZPJMESA-N 2 0 347.503 2.113 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491280565 1258886204 /nfs/dbraw/zinc/88/62/04/1258886204.db2.gz HFPYMQXSQKCBJY-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491287632 1258906857 /nfs/dbraw/zinc/90/68/57/1258906857.db2.gz OPKQDPFFJHWHTL-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001491300273 1258926565 /nfs/dbraw/zinc/92/65/65/1258926565.db2.gz MZTYSDPEYYJHBP-JKSUJKDBSA-N 2 0 336.480 2.040 10 0 EEAERP CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001491365694 1259007542 /nfs/dbraw/zinc/00/75/42/1259007542.db2.gz HHMWQMXIOKQQAF-ABHNRTSZSA-N 2 0 339.524 2.303 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491502649 1259153005 /nfs/dbraw/zinc/15/30/05/1259153005.db2.gz AVMVJIBOJHDXBK-QZTJIDSGSA-N 2 0 347.503 2.261 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCOCC2CCC2)CC1 ZINC001273474236 1278572207 /nfs/dbraw/zinc/57/22/07/1278572207.db2.gz FWEROFLUZIWADW-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CC[NH2+]CCC(F)(F)F)C2)C1 ZINC001267893504 1276784790 /nfs/dbraw/zinc/78/47/90/1276784790.db2.gz NDVFMVJTXAOSRS-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273615549 1281247746 /nfs/dbraw/zinc/24/77/46/1281247746.db2.gz JCEOXHWVXAQNOG-MSOLQXFVSA-N 2 0 335.467 2.130 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001273689622 1283404064 /nfs/dbraw/zinc/40/40/64/1283404064.db2.gz YRMYYHSBZSFLDN-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CCC(C)(C)CCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000867123765 1283698703 /nfs/dbraw/zinc/69/87/03/1283698703.db2.gz DNWHXQHLAHLBDN-UHFFFAOYSA-N 2 0 347.569 2.100 10 0 EEAERP c1cn(-c2csc(C[NH2+]Cc3ccc(-n4cncn4)nc3)c2)cn1 ZINC001199258418 1285567212 /nfs/dbraw/zinc/56/72/12/1285567212.db2.gz KCAWZBAYQAIIAA-UHFFFAOYSA-N 2 0 337.412 2.199 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001489228692 1290479222 /nfs/dbraw/zinc/47/92/22/1290479222.db2.gz WWZZLTBWPMQRFZ-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001490311288 1291186209 /nfs/dbraw/zinc/18/62/09/1291186209.db2.gz HNWIHIKBLMTOJP-YOEHRIQHSA-N 2 0 336.480 2.182 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@@H]1CCCCO1 ZINC001490336523 1291232797 /nfs/dbraw/zinc/23/27/97/1291232797.db2.gz WWIZHIBORBJOQD-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC001490680221 1291562850 /nfs/dbraw/zinc/56/28/50/1291562850.db2.gz UKMXUGJUIBTNER-RBUKOAKNSA-N 2 0 329.488 2.464 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001490727955 1291613515 /nfs/dbraw/zinc/61/35/15/1291613515.db2.gz HICYHYVNOGFTIW-QAPCUYQASA-N 2 0 333.451 2.152 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cc3ccccc3o2)C2CC2)C1 ZINC001490735933 1291644739 /nfs/dbraw/zinc/64/47/39/1291644739.db2.gz OXXKCFXSNGBWIB-SJLPKXTDSA-N 2 0 341.455 2.369 10 0 EEAERP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(Cl)n1 ZINC000856794874 1293635090 /nfs/dbraw/zinc/63/50/90/1293635090.db2.gz WKJGTJIWCDZVJH-UHFFFAOYSA-N 2 0 333.867 2.470 10 0 EEAERP Cn1ccnc1[C@](O)(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858105675 1294007679 /nfs/dbraw/zinc/00/76/79/1294007679.db2.gz MCVRVDUBLOSYRN-IUODEOHRSA-N 2 0 348.413 2.023 10 0 EEAERP C[C@@H](c1ccccc1F)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550035 1296329708 /nfs/dbraw/zinc/32/97/08/1296329708.db2.gz MIVVADIBNZVHNR-VUCTXSBTSA-N 2 0 333.407 2.144 10 0 EEAERP C[C@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000863643751 1296361674 /nfs/dbraw/zinc/36/16/74/1296361674.db2.gz VIZZFOUBIGHCNH-OLMNPRSZSA-N 2 0 329.444 2.047 10 0 EEAERP C[C@H]([NH2+]CCOC1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000927079272 1297008234 /nfs/dbraw/zinc/00/82/34/1297008234.db2.gz RPLJUOVKYPUMHR-INIZCTEOSA-N 2 0 336.476 2.473 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC(F)(F)F ZINC001265880330 1323450820 /nfs/dbraw/zinc/45/08/20/1323450820.db2.gz FXVJSINENYPWIE-AWEZNQCLSA-N 2 0 337.430 2.497 10 0 EEAERP C[NH+](C)C1(C)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931353208 1297153061 /nfs/dbraw/zinc/15/30/61/1297153061.db2.gz BUGNHNQHRFBDDF-FQEVSTJZSA-N 2 0 331.504 2.040 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001278402838 1310058791 /nfs/dbraw/zinc/05/87/91/1310058791.db2.gz DECLMWWVQKBXTO-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+]1CCCCC1 ZINC000841326706 1315531961 /nfs/dbraw/zinc/53/19/61/1315531961.db2.gz XJFKSRILYMTRKY-ZDUSSCGKSA-N 2 0 334.439 2.467 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841898569 1315632301 /nfs/dbraw/zinc/63/23/01/1315632301.db2.gz NWHZCNCRZIUTLL-POAQFYNOSA-N 2 0 344.503 2.196 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cn1 ZINC000842668306 1315749970 /nfs/dbraw/zinc/74/99/70/1315749970.db2.gz GMYFELMHANZTBA-UHFFFAOYSA-N 2 0 341.503 2.298 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCc3ccccc3)C2)CC1 ZINC001278542294 1317188908 /nfs/dbraw/zinc/18/89/08/1317188908.db2.gz LGQUFJDDLVPBOP-NRFANRHFSA-N 2 0 343.515 2.399 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCOCC1 ZINC001278711659 1317824590 /nfs/dbraw/zinc/82/45/90/1317824590.db2.gz XXYBGLZOUIHKAO-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCOC(C)C)C(C)(C)C ZINC001279034233 1319052740 /nfs/dbraw/zinc/05/27/40/1319052740.db2.gz LISGIFIYASNVNU-IRXDYDNUSA-N 2 0 341.540 2.406 10 0 EEAERP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C[NH2+]CCCF ZINC001279102745 1319271957 /nfs/dbraw/zinc/27/19/57/1319271957.db2.gz JDFDNSLUKNEIPQ-HIFRSBDPSA-N 2 0 341.496 2.467 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCCCOC ZINC001264071875 1322605492 /nfs/dbraw/zinc/60/54/92/1322605492.db2.gz QWBCRYJLKYRTQB-RCCFBDPRSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264120393 1322632514 /nfs/dbraw/zinc/63/25/14/1322632514.db2.gz JSHCCHRFIUQVEK-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCOCC1CCC1 ZINC001264151209 1322642376 /nfs/dbraw/zinc/64/23/76/1322642376.db2.gz XEDWPFSVRWNKMP-AEFFLSMTSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001264996303 1322844438 /nfs/dbraw/zinc/84/44/38/1322844438.db2.gz GPSDEQJXIWCZLF-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCN(C)Cc2nocc2C)C1 ZINC001265025927 1322869097 /nfs/dbraw/zinc/86/90/97/1322869097.db2.gz MRHMTRXKBQUGCT-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001265095365 1322918185 /nfs/dbraw/zinc/91/81/85/1322918185.db2.gz UVHQWKQXPVPMOZ-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235612 1323000966 /nfs/dbraw/zinc/00/09/66/1323000966.db2.gz SSOOKXZPNMMGNY-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1)[NH+](C)C ZINC001265290221 1323041296 /nfs/dbraw/zinc/04/12/96/1323041296.db2.gz LOXOZBKFCBTCFA-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC001691747413 1323106816 /nfs/dbraw/zinc/10/68/16/1323106816.db2.gz GZASBVXJZZFJQA-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001265449688 1323161013 /nfs/dbraw/zinc/16/10/13/1323161013.db2.gz XKFJOVZRLGXQTO-IBGZPJMESA-N 2 0 347.503 2.225 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCOCC1CC1 ZINC001265515784 1323192493 /nfs/dbraw/zinc/19/24/93/1323192493.db2.gz HMMWIRFIIXBCCZ-IPQPSQTFSA-N 2 0 349.519 2.009 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001265565584 1323222640 /nfs/dbraw/zinc/22/26/40/1323222640.db2.gz WADMVMSYQZNYMN-RWMBFGLXSA-N 2 0 336.307 2.149 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001265905295 1323474566 /nfs/dbraw/zinc/47/45/66/1323474566.db2.gz HTGPRAOKHWZEHM-RBUKOAKNSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1cc(F)ccc1F)[NH+](C)C ZINC001265919636 1323486533 /nfs/dbraw/zinc/48/65/33/1323486533.db2.gz RHYNBBGADRGQEZ-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP O=C(NCc1ccc(CC[NH2+]CC2CC2)cc1)C12CCC[NH+]1CCC2 ZINC001266084794 1323642392 /nfs/dbraw/zinc/64/23/92/1323642392.db2.gz IAGQWVGDDYCKKF-UHFFFAOYSA-N 2 0 341.499 2.473 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001279675726 1323976652 /nfs/dbraw/zinc/97/66/52/1323976652.db2.gz LDJWTGGCFYDXTE-UHFFFAOYSA-N 2 0 329.435 2.122 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001281459419 1325124557 /nfs/dbraw/zinc/12/45/57/1325124557.db2.gz TYXMFONSHAJHHP-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c1 ZINC001281463003 1325130129 /nfs/dbraw/zinc/13/01/29/1325130129.db2.gz RTKMDBZQNRAZRD-AZUAARDMSA-N 2 0 343.515 2.460 10 0 EEAERP O=C(NC1CC(C[NH2+]C/C=C\Cl)C1)C1CC[NH+](CC2CC2)CC1 ZINC001282066769 1325606832 /nfs/dbraw/zinc/60/68/32/1325606832.db2.gz QLJVQCMLVLNRFN-BHQIHCQQSA-N 2 0 339.911 2.345 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCOc1ccccc1 ZINC001282168342 1325640050 /nfs/dbraw/zinc/64/00/50/1325640050.db2.gz QVHHTYCIZMUOFI-DLBZAZTESA-N 2 0 347.503 2.423 10 0 EEAERP Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001283192895 1325950948 /nfs/dbraw/zinc/95/09/48/1325950948.db2.gz WCGDFEYNWPXEFL-FUHWJXTLSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@H](C(=O)N[C@@H](C)CCC[NH2+]Cc1cncn1C)[NH+]1CCCCCC1 ZINC001283248149 1325970511 /nfs/dbraw/zinc/97/05/11/1325970511.db2.gz LRKIBVPSIJFNAN-DLBZAZTESA-N 2 0 349.523 2.059 10 0 EEAERP Cc1ncoc1C[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283259182 1325975915 /nfs/dbraw/zinc/97/59/15/1325975915.db2.gz FNWWHTXOMCQDCR-HNNXBMFYSA-N 2 0 336.480 2.089 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(Cl)n2)C[C@@H]1C ZINC001284014562 1326362966 /nfs/dbraw/zinc/36/29/66/1326362966.db2.gz BVQJJPRBAQPGBH-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[N@@H+]1CC[C@@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@H]12 ZINC001284059267 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ARQFXFCOJCKFJM-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccc(Cl)cc1 ZINC001492128582 1330981529 /nfs/dbraw/zinc/98/15/29/1330981529.db2.gz XUMUEVTXHWXIGN-ZBFHGGJFSA-N 2 0 337.895 2.319 10 0 EEAERP Cc1cncc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001316868982 1331798511 /nfs/dbraw/zinc/79/85/11/1331798511.db2.gz DJAOOOITYCYHDQ-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC(C)(C)C1 ZINC001316809408 1331905908 /nfs/dbraw/zinc/90/59/08/1331905908.db2.gz BVLSNGZWNYXFNM-BZUAXINKSA-N 2 0 348.491 2.157 10 0 EEAERP CN(CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1nccs1 ZINC001316835325 1331922868 /nfs/dbraw/zinc/92/28/68/1331922868.db2.gz NHHKVRYXJISTKQ-LSDHHAIUSA-N 2 0 336.505 2.098 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC001316870774 1331941509 /nfs/dbraw/zinc/94/15/09/1331941509.db2.gz RUEFKVWQJGKIDU-IBGZPJMESA-N 2 0 347.503 2.369 10 0 EEAERP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001316877622 1331945756 /nfs/dbraw/zinc/94/57/56/1331945756.db2.gz SJKYQCJQNGQWOD-KBXCAEBGSA-N 2 0 344.459 2.262 10 0 EEAERP C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882802 1331949471 /nfs/dbraw/zinc/94/94/71/1331949471.db2.gz VEMAMENFLAJNDU-DLBZAZTESA-N 2 0 349.523 2.011 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC[C@@H]1CCCCO1)C1CC1 ZINC001316914189 1331980442 /nfs/dbraw/zinc/98/04/42/1331980442.db2.gz KNAZLRMZUHDZND-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC001316987025 1332031149 /nfs/dbraw/zinc/03/11/49/1332031149.db2.gz QGQBCOCJXNHFGA-AWEZNQCLSA-N 2 0 335.414 2.251 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCCOC)CC1 ZINC001317005904 1332041702 /nfs/dbraw/zinc/04/17/02/1332041702.db2.gz OEZOFBBMIJQVAF-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001317146357 1332099153 /nfs/dbraw/zinc/09/91/53/1332099153.db2.gz IWSVFJPNRKUHCS-APWZRJJASA-N 2 0 347.478 2.291 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001317190236 1332123335 /nfs/dbraw/zinc/12/33/35/1332123335.db2.gz WGTJZPSNNINOFD-CHWSQXEVSA-N 2 0 334.291 2.370 10 0 EEAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317355193 1332192330 /nfs/dbraw/zinc/19/23/30/1332192330.db2.gz DVUJABRUPXEQLM-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001317427128 1332230881 /nfs/dbraw/zinc/23/08/81/1332230881.db2.gz JXJVMEQFRWQDIH-MRXNPFEDSA-N 2 0 344.459 2.264 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317501652 1332268120 /nfs/dbraw/zinc/26/81/20/1332268120.db2.gz DNJRTJQOTCXJRB-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001317599383 1332318935 /nfs/dbraw/zinc/31/89/35/1332318935.db2.gz UJZFUKFPTKJSQX-DOTOQJQBSA-N 2 0 348.491 2.110 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317654927 1332351779 /nfs/dbraw/zinc/35/17/79/1332351779.db2.gz MSOINOSUXIBDGN-IAGOWNOFSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661152 1332356160 /nfs/dbraw/zinc/35/61/60/1332356160.db2.gz IZVGBQZCYSHQPA-KRWDZBQOSA-N 2 0 332.492 2.013 10 0 EEAERP CN(CC[NH2+]C/C=C/c1ccc(Cl)cc1)C(=O)C[NH+]1CCCC1 ZINC001317661890 1332356213 /nfs/dbraw/zinc/35/62/13/1332356213.db2.gz QFHAVEKTXREHSK-SNAWJCMRSA-N 2 0 335.879 2.497 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1 ZINC001317664581 1332358444 /nfs/dbraw/zinc/35/84/44/1332358444.db2.gz KJIIGKQFONXDBP-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP COCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317837367 1332426588 /nfs/dbraw/zinc/42/65/88/1332426588.db2.gz RCHOUHBNQCJEMI-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317842330 1332428587 /nfs/dbraw/zinc/42/85/87/1332428587.db2.gz OXVNDXPLLLQTEC-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1c(C(=O)NCC2C[NH+](CCCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001318130805 1332476832 /nfs/dbraw/zinc/47/68/32/1332476832.db2.gz XABOVQMRWWVIIM-UHFFFAOYSA-N 2 0 344.459 2.119 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCOC)C1 ZINC001318446651 1332537877 /nfs/dbraw/zinc/53/78/77/1332537877.db2.gz WSHMMHOCCJDMQL-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)OCC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001318669671 1332574973 /nfs/dbraw/zinc/57/49/73/1332574973.db2.gz FHVGOMACSDDYEM-IAGOWNOFSA-N 2 0 339.524 2.303 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001319124603 1332653313 /nfs/dbraw/zinc/65/33/13/1332653313.db2.gz PCBYTBGFUJNBOV-LJQANCHMSA-N 2 0 341.499 2.296 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319280940 1332674639 /nfs/dbraw/zinc/67/46/39/1332674639.db2.gz AJRDZHBSIMFNHW-QFBILLFUSA-N 2 0 331.504 2.085 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cncs1 ZINC001319715848 1332749153 /nfs/dbraw/zinc/74/91/53/1332749153.db2.gz SCWZKDCGIAKAIQ-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320463042 1332889343 /nfs/dbraw/zinc/88/93/43/1332889343.db2.gz DFYAFSPTXXOBQU-HNNXBMFYSA-N 2 0 348.466 2.081 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320737719 1332943497 /nfs/dbraw/zinc/94/34/97/1332943497.db2.gz MNAZLXGJHASXMX-GDBMZVCRSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1cnc([C@H](C)NC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001321134314 1333026933 /nfs/dbraw/zinc/02/69/33/1333026933.db2.gz BOPKGYXCFVPZEQ-JEZUCGJFSA-N 2 0 348.491 2.426 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)n1 ZINC001321248641 1333054748 /nfs/dbraw/zinc/05/47/48/1333054748.db2.gz CQSFVKRMVLNRDO-FPLPWBNLSA-N 2 0 346.519 2.438 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(C2CC2)cc1)C12CC[NH+](CC1)C2 ZINC001321336003 1333077739 /nfs/dbraw/zinc/07/77/39/1333077739.db2.gz IXSDYHLUUJTYDE-OWOJBTEDSA-N 2 0 339.483 2.422 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1cc(F)ccc1F ZINC001321337603 1333078097 /nfs/dbraw/zinc/07/80/97/1333078097.db2.gz PRFRNQKGKWRMBX-BAABZTOOSA-N 2 0 349.425 2.384 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001321813423 1333162198 /nfs/dbraw/zinc/16/21/98/1333162198.db2.gz GHNMZZSKIDDQOA-YVTZDDIASA-N 2 0 345.487 2.287 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321868177 1333170486 /nfs/dbraw/zinc/17/04/86/1333170486.db2.gz UXEFIOVPWWHDKQ-DZGCQCFKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cncn1CC(=O)N[C@@H](C)C[NH2+]CCOC1CCCCCC1 ZINC001321926199 1333180545 /nfs/dbraw/zinc/18/05/45/1333180545.db2.gz IGGMQWQTZVHQCV-HNNXBMFYSA-N 2 0 336.480 2.025 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322443191 1333264286 /nfs/dbraw/zinc/26/42/86/1333264286.db2.gz UNVPPAMMLXSCTL-OAHLLOKOSA-N 2 0 336.480 2.139 10 0 EEAERP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)CC1CC[NH+](C)CC1 ZINC001322723141 1333314539 /nfs/dbraw/zinc/31/45/39/1333314539.db2.gz IGPXXGWWJIPJQU-SDNWHVSQSA-N 2 0 336.307 2.475 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001322834725 1333337410 /nfs/dbraw/zinc/33/74/10/1333337410.db2.gz GKUSEBWVOPDNAJ-UHFFFAOYSA-N 2 0 332.492 2.239 10 0 EEAERP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001324947649 1333794365 /nfs/dbraw/zinc/79/43/65/1333794365.db2.gz KZILUWOKVPXBPU-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001324975561 1333800533 /nfs/dbraw/zinc/80/05/33/1333800533.db2.gz GZAASJUKCZKSEU-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCOCC(C)C)[NH+](C)C ZINC001325923585 1333997428 /nfs/dbraw/zinc/99/74/28/1333997428.db2.gz VTOHHPZXHQLTID-SQNIBIBYSA-N 2 0 339.524 2.065 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001326437798 1334094020 /nfs/dbraw/zinc/09/40/20/1334094020.db2.gz OWLMZTXAYPJZJE-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001326520581 1334108720 /nfs/dbraw/zinc/10/87/20/1334108720.db2.gz BOWYHVZHIWLKGJ-AHCXZYCDSA-N 2 0 339.499 2.341 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001327942212 1334367724 /nfs/dbraw/zinc/36/77/24/1334367724.db2.gz UEKUHOQYAKGATR-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001328207141 1334415148 /nfs/dbraw/zinc/41/51/48/1334415148.db2.gz JALUPTDFFZTKQM-INIZCTEOSA-N 2 0 341.540 2.096 10 0 EEAERP CCOCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330263915 1334815126 /nfs/dbraw/zinc/81/51/26/1334815126.db2.gz WMLLYZQZLYZIQI-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001331326929 1334997216 /nfs/dbraw/zinc/99/72/16/1334997216.db2.gz VSHXIIYSFOLJGC-GXTWGEPZSA-N 2 0 335.414 2.107 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCc1ccccc1)C(C)(C)C ZINC001332777277 1335904803 /nfs/dbraw/zinc/90/48/03/1335904803.db2.gz ULFGWDHHYDNVER-ZWKOTPCHSA-N 2 0 331.504 2.444 10 0 EEAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC[C@@H]1CCCO1)C(C)(C)C)C1CCC1 ZINC001332804118 1335910228 /nfs/dbraw/zinc/91/02/28/1335910228.db2.gz BGVQELAPHRYRMR-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1c(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)ccc2c[nH+]cn21 ZINC001335322757 1336363783 /nfs/dbraw/zinc/36/37/83/1336363783.db2.gz DVTFUSXEBUYRAX-SFHVURJKSA-N 2 0 337.427 2.461 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CC2)[C@H]1c1ccc(F)cc1 ZINC001345139538 1337427936 /nfs/dbraw/zinc/42/79/36/1337427936.db2.gz AKXKFSYWYLUCRP-DLBZAZTESA-N 2 0 334.439 2.012 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCc1ccccc1F ZINC001666640312 1355557679 /nfs/dbraw/zinc/55/76/79/1355557679.db2.gz CUSSILKKUCNSSD-KRWDZBQOSA-N 2 0 349.494 2.442 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC001433422274 1341592866 /nfs/dbraw/zinc/59/28/66/1341592866.db2.gz SDLPUBNGLSISMB-JKSUJKDBSA-N 2 0 343.462 2.439 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001667459364 1355745287 /nfs/dbraw/zinc/74/52/87/1355745287.db2.gz TVPGUWRCVHLGIV-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)C1CCCCC1 ZINC001434427697 1341842203 /nfs/dbraw/zinc/84/22/03/1341842203.db2.gz DPZZTOPRGJKIOL-MRXNPFEDSA-N 2 0 330.476 2.289 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001670138898 1356283815 /nfs/dbraw/zinc/28/38/15/1356283815.db2.gz QASWWGSTZMOBRN-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001502742282 1342227963 /nfs/dbraw/zinc/22/79/63/1342227963.db2.gz UMNLUCUZAUICJO-MJGOQNOKSA-N 2 0 331.504 2.316 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC001673923682 1356760716 /nfs/dbraw/zinc/76/07/16/1356760716.db2.gz NKWMWKTVOWYCST-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001673993843 1356768465 /nfs/dbraw/zinc/76/84/65/1356768465.db2.gz PCPBTIVYRVXFOJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001566631006 1342586281 /nfs/dbraw/zinc/58/62/81/1342586281.db2.gz FSYNKNQURIDGMK-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001566956309 1342660608 /nfs/dbraw/zinc/66/06/08/1342660608.db2.gz UXWVJSOCWDURAL-ROUUACIJSA-N 2 0 348.491 2.155 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001567267825 1342729025 /nfs/dbraw/zinc/72/90/25/1342729025.db2.gz YVFGJQNZTVUXTM-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569984018 1342988156 /nfs/dbraw/zinc/98/81/56/1342988156.db2.gz NRLNFZJSHPNISV-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001570547661 1343081618 /nfs/dbraw/zinc/08/16/18/1343081618.db2.gz GTWVMKNOZYFWHB-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOc2cccc(C)c2)C[C@@H]1C ZINC001571491212 1343219330 /nfs/dbraw/zinc/21/93/30/1343219330.db2.gz OEBFBPUQOTXKMO-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CCCC[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001571635931 1343256427 /nfs/dbraw/zinc/25/64/27/1343256427.db2.gz ONTMMFWRGLZYSW-INIZCTEOSA-N 2 0 327.513 2.018 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C)o1 ZINC001676693332 1357181980 /nfs/dbraw/zinc/18/19/80/1357181980.db2.gz LSCSFFRBGDGHOX-MAUKXSAKSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)(C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)[NH+]1CCCCC1 ZINC001676998809 1357258810 /nfs/dbraw/zinc/25/88/10/1357258810.db2.gz NZVSGBKTUBTARR-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001645624364 1352793189 /nfs/dbraw/zinc/79/31/89/1352793189.db2.gz BFNIQIHHVMCBLT-UHFFFAOYSA-N 2 0 347.503 2.079 10 0 EEAERP CC1CC[NH+](CCCNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001654147694 1354141502 /nfs/dbraw/zinc/14/15/02/1354141502.db2.gz OMAZFPLFMIGGBE-QGZVFWFLSA-N 2 0 330.476 2.146 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCCCC(F)(F)F ZINC001657036050 1354310520 /nfs/dbraw/zinc/31/05/20/1354310520.db2.gz MOHJWVWZFTXCRV-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)s1 ZINC001660195766 1354414376 /nfs/dbraw/zinc/41/43/76/1354414376.db2.gz UVPRKOMNAXUQEQ-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)C[C@H]2CC[C@H](C)O2)ccc2c[nH+]cn21 ZINC001660203708 1354416036 /nfs/dbraw/zinc/41/60/36/1354416036.db2.gz SJKOPEITQGCGQZ-WMLDXEAASA-N 2 0 344.459 2.262 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2ccc(F)cc2F)CC1 ZINC001660281356 1354430510 /nfs/dbraw/zinc/43/05/10/1354430510.db2.gz ASSDITIZRINECE-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccc(F)cc1 ZINC001660529347 1354482184 /nfs/dbraw/zinc/48/21/84/1354482184.db2.gz SDEWXGFFVPUWOY-IBGZPJMESA-N 2 0 347.478 2.496 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCCC(F)(F)F)C1 ZINC001660999827 1354570760 /nfs/dbraw/zinc/57/07/60/1354570760.db2.gz ABZSMFNKXFXSII-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001661972432 1354731043 /nfs/dbraw/zinc/73/10/43/1354731043.db2.gz VXRGRIVFUKBHOL-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)[NH2+]CCOCC2CCC2)ccc2c[nH+]cn21 ZINC001662269145 1354772528 /nfs/dbraw/zinc/77/25/28/1354772528.db2.gz XXEBWWDYLDHMHW-AWEZNQCLSA-N 2 0 344.459 2.167 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001662716768 1354830399 /nfs/dbraw/zinc/83/03/99/1354830399.db2.gz BZBDTTLWHAVDCS-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001662765051 1354841381 /nfs/dbraw/zinc/84/13/81/1354841381.db2.gz COKFALZRYUWQAG-DLBZAZTESA-N 2 0 337.508 2.057 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1cscn1 ZINC001663092856 1354911146 /nfs/dbraw/zinc/91/11/46/1354911146.db2.gz GJDHEKRQGLFLCN-HZPDHXFCSA-N 2 0 336.505 2.098 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001663931996 1355055906 /nfs/dbraw/zinc/05/59/06/1355055906.db2.gz SPDLCNQTWUUIAA-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001664309177 1355135495 /nfs/dbraw/zinc/13/54/95/1355135495.db2.gz IJFPOKKSGZJPOK-INIZCTEOSA-N 2 0 332.492 2.095 10 0 EEAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCCOCC)C1 ZINC001664678886 1355209983 /nfs/dbraw/zinc/20/99/83/1355209983.db2.gz RBCWKXNUXPDEPV-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001666172370 1355475273 /nfs/dbraw/zinc/47/52/73/1355475273.db2.gz GGPZUYPZCXFTJQ-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C[NH2+]CCC(C)(C)C ZINC001666573653 1355546928 /nfs/dbraw/zinc/54/69/28/1355546928.db2.gz ONTRPZBYIPMVOD-INIZCTEOSA-N 2 0 341.540 2.123 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CCCOC(C)C)C2)CC1 ZINC001666834740 1355599138 /nfs/dbraw/zinc/59/91/38/1355599138.db2.gz MOYXILHFCOQQKT-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001666991957 1355628869 /nfs/dbraw/zinc/62/88/69/1355628869.db2.gz JBCXKDMRDQHPDH-ROUUACIJSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001667054963 1355640486 /nfs/dbraw/zinc/64/04/86/1355640486.db2.gz VWNCFZGENPGFJL-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001667301633 1355703136 /nfs/dbraw/zinc/70/31/36/1355703136.db2.gz HKBBMCJPKJAVBZ-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001668086877 1355866537 /nfs/dbraw/zinc/86/65/37/1355866537.db2.gz KZJKVUCMMUCVGZ-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668324715 1355923263 /nfs/dbraw/zinc/92/32/63/1355923263.db2.gz CSYBCPVWSWZEQW-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001668532760 1355958631 /nfs/dbraw/zinc/95/86/31/1355958631.db2.gz CMSCPXDSYVNIDF-UHFFFAOYSA-N 2 0 342.487 2.448 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828225 1356014696 /nfs/dbraw/zinc/01/46/96/1356014696.db2.gz OGTGIQCIHJFAOS-XGBNDESESA-N 2 0 349.425 2.069 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001669139362 1356104247 /nfs/dbraw/zinc/10/42/47/1356104247.db2.gz NTMRKMSGGJLSOA-AWFCHZOYSA-N 2 0 335.517 2.469 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672529290 1356545792 /nfs/dbraw/zinc/54/57/92/1356545792.db2.gz CFSLSZLKDJKONW-BZSNNMDCSA-N 2 0 339.524 2.207 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCCCCF)CC2)C1 ZINC001673402096 1356686455 /nfs/dbraw/zinc/68/64/55/1356686455.db2.gz OSFXNQRYKHUCKR-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001674022794 1356775856 /nfs/dbraw/zinc/77/58/56/1356775856.db2.gz GODAHRJHSICKMH-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001675030284 1356926212 /nfs/dbraw/zinc/92/62/12/1356926212.db2.gz GSMCALKKUGDYNR-CJNGLKHVSA-N 2 0 340.899 2.258 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]C/C=C\Cl ZINC001698950687 1405181367 /nfs/dbraw/zinc/18/13/67/1405181367.db2.gz UQRKAXVCVWIBIB-KMWJSLMQSA-N 2 0 327.900 2.297 10 0 EEAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699101408 1405254333 /nfs/dbraw/zinc/25/43/33/1405254333.db2.gz WJRBNPWEQISEJA-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699262605 1405305072 /nfs/dbraw/zinc/30/50/72/1405305072.db2.gz UMLSJVXNLCXYTM-WAYWQWQTSA-N 2 0 344.503 2.417 10 0 EEAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001699843813 1405523246 /nfs/dbraw/zinc/52/32/46/1405523246.db2.gz FOFMRQGQCRCLNQ-QZTJIDSGSA-N 2 0 327.488 2.437 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000918542768 769189095 /nfs/dbraw/zinc/18/90/95/769189095.db2.gz ZXTBCHKCULFLER-QGZVFWFLSA-N 2 0 345.491 2.044 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000921355731 773302861 /nfs/dbraw/zinc/30/28/61/773302861.db2.gz SJHHJRBMXFGNBG-QFHJOOASSA-N 2 0 344.503 2.431 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817930458 785110764 /nfs/dbraw/zinc/11/07/64/785110764.db2.gz BSJYTXGXGLNCMW-HOCLYGCPSA-N 2 0 335.448 2.438 10 0 EEAERP CC(C)N(Cc1ccco1)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000820074147 785798319 /nfs/dbraw/zinc/79/83/19/785798319.db2.gz GSWIZCCGTXLUPM-INIZCTEOSA-N 2 0 338.496 2.472 10 0 EEAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844170584 788884042 /nfs/dbraw/zinc/88/40/42/788884042.db2.gz KCVRLSBGOKPUHS-OKZBNKHCSA-N 2 0 337.508 2.044 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)ccn1 ZINC000844911864 789482999 /nfs/dbraw/zinc/48/29/99/789482999.db2.gz ANFVUQGVOZJFJV-LSDHHAIUSA-N 2 0 343.431 2.275 10 0 EEAERP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000923417223 789508919 /nfs/dbraw/zinc/50/89/19/789508919.db2.gz VLEUKLKYLIQIHT-UXHICEINSA-N 2 0 343.515 2.351 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000923412146 789519646 /nfs/dbraw/zinc/51/96/46/789519646.db2.gz UVPSMSWQPJVFTQ-NQBHXWOUSA-N 2 0 333.259 2.260 10 0 EEAERP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923452710 789585041 /nfs/dbraw/zinc/58/50/41/789585041.db2.gz WCRMYQVQVWERKA-AEFFLSMTSA-N 2 0 345.487 2.460 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC000923505051 789689336 /nfs/dbraw/zinc/68/93/36/789689336.db2.gz XDGQVPZLCFISON-NWDGAFQWSA-N 2 0 327.375 2.143 10 0 EEAERP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC000923505283 789689967 /nfs/dbraw/zinc/68/99/67/789689967.db2.gz ZVPLXAAFBQTALG-HUUCEWRRSA-N 2 0 349.475 2.339 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000917899138 798399330 /nfs/dbraw/zinc/39/93/30/798399330.db2.gz SJRZDTWZMSUMSV-ROUUACIJSA-N 2 0 347.507 2.248 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921979003 798521614 /nfs/dbraw/zinc/52/16/14/798521614.db2.gz ASUGBGQWSIJLJL-HXUWFJFHSA-N 2 0 340.471 2.465 10 0 EEAERP O=c1cc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cc[nH]1 ZINC000922335787 800636062 /nfs/dbraw/zinc/63/60/62/800636062.db2.gz URAYUVSIRZQRTP-UHFFFAOYSA-N 2 0 341.455 2.294 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000922336379 800683306 /nfs/dbraw/zinc/68/33/06/800683306.db2.gz XYNGBOQADCVEMY-YVWKXTFCSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1ncccc1C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566587341 1125774911 /nfs/dbraw/zinc/77/49/11/1125774911.db2.gz BROSSAPWYKLQET-VQIMIIECSA-N 2 0 344.503 2.201 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)[NH+](C)C ZINC001436895586 1088547360 /nfs/dbraw/zinc/54/73/60/1088547360.db2.gz AZYFENOTGGLKQM-KBUPBQIOSA-N 2 0 331.451 2.389 10 0 EEAERP CC(C)(C(=O)NC[C@H]1CCC[N@H+](C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001437005155 1088772124 /nfs/dbraw/zinc/77/21/24/1088772124.db2.gz YPZICUZEPLKTKX-DDJMYBDESA-N 2 0 327.900 2.442 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC001437094344 1089052581 /nfs/dbraw/zinc/05/25/81/1089052581.db2.gz XUAVWYZWQKBYDW-UHFFFAOYSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001437142205 1089135641 /nfs/dbraw/zinc/13/56/41/1089135641.db2.gz DFPCHWCYJMEPPT-KDOFPFPSSA-N 2 0 348.466 2.222 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)ccc2c[nH+]cn21 ZINC001437167304 1089184832 /nfs/dbraw/zinc/18/48/32/1089184832.db2.gz MMJZFNNBWCPOQK-BBRMVZONSA-N 2 0 344.459 2.166 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001437193037 1089238821 /nfs/dbraw/zinc/23/88/21/1089238821.db2.gz FGHNTTQKDXDXEW-WBMJQRKESA-N 2 0 339.430 2.388 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001437402565 1089672133 /nfs/dbraw/zinc/67/21/33/1089672133.db2.gz YITNCZODSLBYRO-HIFRSBDPSA-N 2 0 336.480 2.403 10 0 EEAERP Cc1cc(C)cc(OCC[N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001437542858 1089997769 /nfs/dbraw/zinc/99/77/69/1089997769.db2.gz WARZKQMRMCMMAP-SFHVURJKSA-N 2 0 347.503 2.072 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H]1CCCC1(F)F ZINC001437591377 1090085997 /nfs/dbraw/zinc/08/59/97/1090085997.db2.gz RDOGPIULSUVGNE-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001437716379 1090265935 /nfs/dbraw/zinc/26/59/35/1090265935.db2.gz ZNCRKRRNQYOCFZ-UKRRQHHQSA-N 2 0 349.441 2.150 10 0 EEAERP C[C@H]([NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)c1ccc2c(c1)CCC2 ZINC001437835658 1090422847 /nfs/dbraw/zinc/42/28/47/1090422847.db2.gz DXRDBHCGFIFSCO-INIZCTEOSA-N 2 0 341.499 2.380 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCc3cccs3)C2)C1 ZINC001437944389 1090539704 /nfs/dbraw/zinc/53/97/04/1090539704.db2.gz HMHCHXGTUOLFLL-CVEARBPZSA-N 2 0 335.517 2.071 10 0 EEAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C)s1 ZINC001438311959 1090789911 /nfs/dbraw/zinc/78/99/11/1090789911.db2.gz RXDXNNCOCFCXRI-LSDHHAIUSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438634495 1091116931 /nfs/dbraw/zinc/11/69/31/1091116931.db2.gz KFBYPUDZZXGEGS-YPMHNXCESA-N 2 0 329.897 2.432 10 0 EEAERP C[C@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637871 1091119509 /nfs/dbraw/zinc/11/95/09/1091119509.db2.gz PLWQAVVMHUINTQ-PBHICJAKSA-N 2 0 329.444 2.464 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001438707840 1091221221 /nfs/dbraw/zinc/22/12/21/1091221221.db2.gz HOWDAZOXWZFBKC-AEFFLSMTSA-N 2 0 347.503 2.282 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1C ZINC001438716218 1091237236 /nfs/dbraw/zinc/23/72/36/1091237236.db2.gz SYSOUEZSMYLWPM-MAUKXSAKSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001438730805 1091270358 /nfs/dbraw/zinc/27/03/58/1091270358.db2.gz OXQFGEHCNUYSTM-CVEARBPZSA-N 2 0 327.488 2.483 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001438771808 1091356805 /nfs/dbraw/zinc/35/68/05/1091356805.db2.gz CGUNDHLQZYGANR-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438775004 1091363520 /nfs/dbraw/zinc/36/35/20/1091363520.db2.gz UNBQXYMENSFILH-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c(C)s1 ZINC001438775656 1091366036 /nfs/dbraw/zinc/36/60/36/1091366036.db2.gz QAXZLNZBMZFIPK-IUODEOHRSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]2C)sn1 ZINC001438782010 1091380475 /nfs/dbraw/zinc/38/04/75/1091380475.db2.gz YMLIMWDPMCOSCG-BBRMVZONSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC001438842036 1091475125 /nfs/dbraw/zinc/47/51/25/1091475125.db2.gz QITSGXYIFYHMCR-SJORKVTESA-N 2 0 341.540 2.121 10 0 EEAERP C[C@H](C[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439109370 1091753937 /nfs/dbraw/zinc/75/39/37/1091753937.db2.gz LNAPMMDOUXGHDL-CZUORRHYSA-N 2 0 343.462 2.248 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)ccc1C ZINC001439148077 1091790377 /nfs/dbraw/zinc/79/03/77/1091790377.db2.gz JRLGSEGVWKUSEQ-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccc(CF)cc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001445985140 1091951037 /nfs/dbraw/zinc/95/10/37/1091951037.db2.gz ADBZLZZAFOEFJB-GOSISDBHSA-N 2 0 345.462 2.236 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2scnc2C)CC[N@@H+]1C ZINC001439328850 1092012151 /nfs/dbraw/zinc/01/21/51/1092012151.db2.gz UHGUAAOABDKWHX-VHDGCEQUSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001446254384 1092383496 /nfs/dbraw/zinc/38/34/96/1092383496.db2.gz YLRPAKFBMVGGMK-ZWKOTPCHSA-N 2 0 342.487 2.145 10 0 EEAERP Cc1cncc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)c1 ZINC001446330605 1092532532 /nfs/dbraw/zinc/53/25/32/1092532532.db2.gz KHWDGLMTLPPVOY-HXUWFJFHSA-N 2 0 344.503 2.156 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)CC[NH+]3CCCCC3)CC2)s1 ZINC001439676257 1092617552 /nfs/dbraw/zinc/61/75/52/1092617552.db2.gz KLPASIQRGGTREP-UHFFFAOYSA-N 2 0 336.505 2.066 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001439767162 1092725831 /nfs/dbraw/zinc/72/58/31/1092725831.db2.gz NCWAQYYJAFDCRQ-WMZOPIPTSA-N 2 0 347.503 2.424 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001439908718 1092977190 /nfs/dbraw/zinc/97/71/90/1092977190.db2.gz ZTKVQSWBJGRRMF-BXVLCZGVSA-N 2 0 348.318 2.475 10 0 EEAERP COC[C@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001439910253 1092977898 /nfs/dbraw/zinc/97/78/98/1092977898.db2.gz AYIKBSKTXJLHIA-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193161 1093260196 /nfs/dbraw/zinc/26/01/96/1093260196.db2.gz ZDGFEPWSBWUFGS-FXAWDEMLSA-N 2 0 347.503 2.033 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001448481380 1093503200 /nfs/dbraw/zinc/50/32/00/1093503200.db2.gz YACBHYFWXQPHSV-QLFBSQMISA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)c1ccccc1C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440368954 1093535887 /nfs/dbraw/zinc/53/58/87/1093535887.db2.gz FDJJVPXLKUEKKH-SFHVURJKSA-N 2 0 347.503 2.079 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](F)CC)C2)C1 ZINC001448511809 1093538466 /nfs/dbraw/zinc/53/84/66/1093538466.db2.gz SIASLOVDRUFUGR-QAETUUGQSA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001448543744 1093583724 /nfs/dbraw/zinc/58/37/24/1093583724.db2.gz JYPXKZZPXUTVEW-OAHLLOKOSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)on1 ZINC001440432950 1093636963 /nfs/dbraw/zinc/63/69/63/1093636963.db2.gz NQOQLSYJJBAUES-INIZCTEOSA-N 2 0 336.480 2.138 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001440466375 1093689677 /nfs/dbraw/zinc/68/96/77/1093689677.db2.gz RVJAIABCYHRSCI-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)c(C)n1 ZINC001440467359 1093691408 /nfs/dbraw/zinc/69/14/08/1093691408.db2.gz JLLKSTNPQBIZOQ-GOSISDBHSA-N 2 0 346.519 2.321 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C)[NH+](C)C ZINC001440491077 1093728423 /nfs/dbraw/zinc/72/84/23/1093728423.db2.gz UOOFLYMGKTXFQE-HYVNUMGLSA-N 2 0 337.533 2.456 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccccc1 ZINC001448716177 1093788409 /nfs/dbraw/zinc/78/84/09/1093788409.db2.gz IRINFSHGJWRTKA-FUHWJXTLSA-N 2 0 347.503 2.031 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1scnc1C ZINC001448787308 1093866691 /nfs/dbraw/zinc/86/66/91/1093866691.db2.gz ZSAWJNLFRCXCAZ-DZGCQCFKSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001440660910 1093930505 /nfs/dbraw/zinc/93/05/05/1093930505.db2.gz RVRICVQMMDUDOD-MAUKXSAKSA-N 2 0 349.523 2.241 10 0 EEAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001440668777 1093933381 /nfs/dbraw/zinc/93/33/81/1093933381.db2.gz QSSHDWXGDDBCJY-KBPBESRZSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001449359073 1094323346 /nfs/dbraw/zinc/32/33/46/1094323346.db2.gz ZUBFUHWHDVGRJV-MRXNPFEDSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001449369656 1094336932 /nfs/dbraw/zinc/33/69/32/1094336932.db2.gz OPRAOWULNWCKPD-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001441244536 1094633211 /nfs/dbraw/zinc/63/32/11/1094633211.db2.gz AWIBGQYZVHXVPI-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]3C2)o1 ZINC001441340325 1094832724 /nfs/dbraw/zinc/83/27/24/1094832724.db2.gz NDLDCBYGQPNXKC-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1)OC ZINC001441389753 1094947162 /nfs/dbraw/zinc/94/71/62/1094947162.db2.gz WJWDFHWAMNNEDJ-FGTMMUONSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001441414464 1094995731 /nfs/dbraw/zinc/99/57/31/1094995731.db2.gz JEZKLOQZTSAVQG-BRWVUGGUSA-N 2 0 339.524 2.016 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001441539576 1095256541 /nfs/dbraw/zinc/25/65/41/1095256541.db2.gz HAUKWENQTVCLAV-KSZLIROESA-N 2 0 337.508 2.058 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC001441587731 1095408978 /nfs/dbraw/zinc/40/89/78/1095408978.db2.gz QTSJJCGTQXMZTI-PKOBYXMFSA-N 2 0 347.503 2.154 10 0 EEAERP COc1ccc(CC[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001441826033 1095870429 /nfs/dbraw/zinc/87/04/29/1095870429.db2.gz UHYUBGMFDJTWQX-VQIMIIECSA-N 2 0 347.503 2.157 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001441862777 1095967439 /nfs/dbraw/zinc/96/74/39/1095967439.db2.gz WLVJQPGRZNSCJT-CRAIPNDOSA-N 2 0 349.523 2.240 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1oc(C)nc1C)CC2 ZINC001441868240 1095978785 /nfs/dbraw/zinc/97/87/85/1095978785.db2.gz OQDJARPQLVUDSZ-PKOBYXMFSA-N 2 0 348.491 2.246 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccnc1C)CC2)[NH+](C)C ZINC001441875132 1095992662 /nfs/dbraw/zinc/99/26/62/1095992662.db2.gz TZARGFNPIHKLBQ-WSTZPKSXSA-N 2 0 344.503 2.343 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001442017042 1096224192 /nfs/dbraw/zinc/22/41/92/1096224192.db2.gz VESZVISBUMFLBG-WBMJQRKESA-N 2 0 339.430 2.388 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001442142083 1096388689 /nfs/dbraw/zinc/38/86/89/1096388689.db2.gz GRJJNDMODZFDBW-HNNXBMFYSA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001442159325 1096416023 /nfs/dbraw/zinc/41/60/23/1096416023.db2.gz YIURLWWTYYUNSX-AWEZNQCLSA-N 2 0 339.430 2.243 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001442175859 1096442516 /nfs/dbraw/zinc/44/25/16/1096442516.db2.gz VBAVESGTHQCQBM-KBPBESRZSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001442182380 1096451172 /nfs/dbraw/zinc/45/11/72/1096451172.db2.gz UYJMBVZRRPIHTQ-HZPDHXFCSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)o1 ZINC001442263560 1096566753 /nfs/dbraw/zinc/56/67/53/1096566753.db2.gz ZTEZFIKRAJROQZ-HTWSVDAQSA-N 2 0 348.491 2.182 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC001442265589 1096569583 /nfs/dbraw/zinc/56/95/83/1096569583.db2.gz DOMFUHQVSCBCQU-UHFFFAOYSA-N 2 0 342.487 2.038 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001442900163 1097302599 /nfs/dbraw/zinc/30/25/99/1097302599.db2.gz HQXMUPSKIZAUGZ-RTBURBONSA-N 2 0 329.488 2.275 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001443239753 1097707748 /nfs/dbraw/zinc/70/77/48/1097707748.db2.gz RNAWFLNNXRKKCK-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001443271464 1097754764 /nfs/dbraw/zinc/75/47/64/1097754764.db2.gz MSEGHUGFEPLMPC-INIZCTEOSA-N 2 0 335.517 2.215 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001443391042 1097903128 /nfs/dbraw/zinc/90/31/28/1097903128.db2.gz VAWWFMSZYBLEEA-GOSISDBHSA-N 2 0 347.503 2.364 10 0 EEAERP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001443824777 1098327534 /nfs/dbraw/zinc/32/75/34/1098327534.db2.gz VDCBGKOVJBCBMT-SFHVURJKSA-N 2 0 346.519 2.498 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccn(CC)n1 ZINC001444000344 1098515190 /nfs/dbraw/zinc/51/51/90/1098515190.db2.gz HLBLCIHHTMTEJR-WMZOPIPTSA-N 2 0 349.523 2.150 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C2CC2)no1 ZINC001444034269 1098553191 /nfs/dbraw/zinc/55/31/91/1098553191.db2.gz KHJAVRMLBPMBRH-YJBOKZPZSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001444160510 1098708650 /nfs/dbraw/zinc/70/86/50/1098708650.db2.gz VXDAHYRSPHVDEA-BEFAXECRSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1ncc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001479772665 1098946253 /nfs/dbraw/zinc/94/62/53/1098946253.db2.gz UATISIGQBCXHMB-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP COc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001479789167 1098991119 /nfs/dbraw/zinc/99/11/19/1098991119.db2.gz GWKXQFNTLGEWKW-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cc(F)ccc1F ZINC001479808561 1099059668 /nfs/dbraw/zinc/05/96/68/1099059668.db2.gz HNDCZCBQHLJODY-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cncs1 ZINC001479833489 1099116214 /nfs/dbraw/zinc/11/62/14/1099116214.db2.gz JTCCMBDPULUXLK-GOEBONIOSA-N 2 0 338.521 2.344 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccns1 ZINC001479858895 1099164926 /nfs/dbraw/zinc/16/49/26/1099164926.db2.gz XGHMMIXCYZOCIF-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001444593950 1099418545 /nfs/dbraw/zinc/41/85/45/1099418545.db2.gz FZUKGEHEVCFVLD-APWZRJJASA-N 2 0 329.488 2.273 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1C ZINC001444617756 1099443713 /nfs/dbraw/zinc/44/37/13/1099443713.db2.gz ICDPWMHVMDIJHZ-MAUKXSAKSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H](C[NH2+]Cc1cccnc1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001444695413 1099549738 /nfs/dbraw/zinc/54/97/38/1099549738.db2.gz YALVTNIAOLRZHD-IAGOWNOFSA-N 2 0 332.492 2.283 10 0 EEAERP CCc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001480062715 1099590413 /nfs/dbraw/zinc/59/04/13/1099590413.db2.gz CVXPDHPZPBFXGG-RTBURBONSA-N 2 0 329.488 2.185 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CCCCC2)on1 ZINC001444793834 1099706733 /nfs/dbraw/zinc/70/67/33/1099706733.db2.gz STJHYFOAYFKZIM-SFHVURJKSA-N 2 0 348.491 2.234 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480226287 1099846971 /nfs/dbraw/zinc/84/69/71/1099846971.db2.gz LZRNJSGTOVZBGL-FGTMMUONSA-N 2 0 339.524 2.159 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001480237584 1099867612 /nfs/dbraw/zinc/86/76/12/1099867612.db2.gz DZTAGKWCZGLOGS-IYBDPMFKSA-N 2 0 348.491 2.158 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001480237541 1099867646 /nfs/dbraw/zinc/86/76/46/1099867646.db2.gz CIGPUGZPGMMAEK-TVFCKZIOSA-N 2 0 345.487 2.175 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C(C)C)on1 ZINC001444903944 1099965206 /nfs/dbraw/zinc/96/52/06/1099965206.db2.gz VTNHXDBWLYNAMN-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP O=C(N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)C12CCC[NH+]1CCC2 ZINC001480352491 1100122238 /nfs/dbraw/zinc/12/22/38/1100122238.db2.gz WTFSIUSUXLXHNH-FUVBFXSKSA-N 2 0 325.884 2.338 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1F ZINC001480471304 1100277932 /nfs/dbraw/zinc/27/79/32/1100277932.db2.gz DGRBEBJFMGVXJE-YJBOKZPZSA-N 2 0 335.467 2.337 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)oc1C ZINC001445114835 1100357489 /nfs/dbraw/zinc/35/74/89/1100357489.db2.gz ORDWIQYAHPGCJI-CVEARBPZSA-N 2 0 336.480 2.006 10 0 EEAERP C[C@H](CNC/C(Cl)=C/Cl)NC(=O)Cc1cn2c(n1)CCCC2 ZINC001445362960 1100599304 /nfs/dbraw/zinc/59/93/04/1100599304.db2.gz MAEAEBGSFSZSBW-HBZGRHIISA-N 2 0 345.274 2.175 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC[C@@H]2CCc3ccccc32)C1 ZINC001446371294 1100739393 /nfs/dbraw/zinc/73/93/93/1100739393.db2.gz ILEJULWBHVMACE-KRWDZBQOSA-N 2 0 329.488 2.201 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccnc1)[NH+](CC)CC ZINC001446449233 1100870361 /nfs/dbraw/zinc/87/03/61/1100870361.db2.gz WYDFGXDLGNWOKK-ZWKOTPCHSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC001496360353 1100953401 /nfs/dbraw/zinc/95/34/01/1100953401.db2.gz HLIPPKYTZJSONX-YPMHNXCESA-N 2 0 344.912 2.075 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001496397052 1100990728 /nfs/dbraw/zinc/99/07/28/1100990728.db2.gz WDDZVGKFLNVWJJ-BRWVUGGUSA-N 2 0 348.491 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cnoc1C)C(C)C ZINC001496566288 1101167413 /nfs/dbraw/zinc/16/74/13/1101167413.db2.gz JUYYSOIYSOHQNO-SJORKVTESA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H](C)O)CC1 ZINC001495455714 1101167511 /nfs/dbraw/zinc/16/75/11/1101167511.db2.gz RVMZEWMWGNHMOX-XSLAGTTESA-N 2 0 339.524 2.037 10 0 EEAERP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cncs1 ZINC001496614040 1101218832 /nfs/dbraw/zinc/21/88/32/1101218832.db2.gz DKBHFBQIGSBICN-INIZCTEOSA-N 2 0 338.521 2.105 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496646085 1101251216 /nfs/dbraw/zinc/25/12/16/1101251216.db2.gz XKYGFBFFZVHDFE-SFHVURJKSA-N 2 0 335.467 2.460 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](C/C=C/Cl)CC2)C1 ZINC001495535972 1101251590 /nfs/dbraw/zinc/25/15/90/1101251590.db2.gz NVAARONIIANWJO-BGGTUALNSA-N 2 0 327.900 2.299 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001446722929 1101293288 /nfs/dbraw/zinc/29/32/88/1101293288.db2.gz BRSVODCMHZEVOJ-KBPBESRZSA-N 2 0 349.441 2.292 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CC3CCC3)CCC2(F)F)C1 ZINC001446727599 1101301068 /nfs/dbraw/zinc/30/10/68/1101301068.db2.gz QASKKEFZVZGXRA-HZPDHXFCSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+]1CCCC1 ZINC001495815689 1101635293 /nfs/dbraw/zinc/63/52/93/1101635293.db2.gz RLSRXXFQRJFSMN-UONOGXRCSA-N 2 0 337.430 2.401 10 0 EEAERP CCc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001446974305 1101686994 /nfs/dbraw/zinc/68/69/94/1101686994.db2.gz QSWJBINNQVPCSB-APWZRJJASA-N 2 0 331.504 2.385 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cccc(F)c2)CCCC1 ZINC001495961901 1101837267 /nfs/dbraw/zinc/83/72/67/1101837267.db2.gz AIIAINWJJCIPLD-UHFFFAOYSA-N 2 0 333.451 2.440 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001495978539 1101884292 /nfs/dbraw/zinc/88/42/92/1101884292.db2.gz OMCMVRYTKFDBQF-HNNXBMFYSA-N 2 0 343.462 2.298 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+][C@@H](C)COC)CC2)CC[N@@H+]1C ZINC001447081245 1101950375 /nfs/dbraw/zinc/95/03/75/1101950375.db2.gz VAHRXDKDIPXXHB-KFGODFMUSA-N 2 0 339.524 2.016 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cn1 ZINC001497196622 1102108914 /nfs/dbraw/zinc/10/89/14/1102108914.db2.gz BFKPOGLWSJCXFM-PBHICJAKSA-N 2 0 336.455 2.080 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)CCC[NH+](C)C)c1 ZINC001447163118 1102116372 /nfs/dbraw/zinc/11/63/72/1102116372.db2.gz OCCKPKJOKPBDDD-RBUKOAKNSA-N 2 0 344.503 2.297 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145010 1102133114 /nfs/dbraw/zinc/13/31/14/1102133114.db2.gz ODAQBMYLQCALIU-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)c1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001497322335 1102322685 /nfs/dbraw/zinc/32/26/85/1102322685.db2.gz JTUKQXIQCGRZKT-JKSUJKDBSA-N 2 0 332.492 2.141 10 0 EEAERP Cc1ccc(F)c(C[N@@H+](C)CCCN(C)C(=O)Cn2ccnc2)c1 ZINC001447376314 1102558691 /nfs/dbraw/zinc/55/86/91/1102558691.db2.gz RSRMATZSIOVXCQ-UHFFFAOYSA-N 2 0 332.423 2.311 10 0 EEAERP CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001447412344 1102610297 /nfs/dbraw/zinc/61/02/97/1102610297.db2.gz XQTJVPSJCSEGHW-BZUAXINKSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001497579131 1102692997 /nfs/dbraw/zinc/69/29/97/1102692997.db2.gz LPLVJPDRLGDDFE-WUUFJKRQSA-N 2 0 341.499 2.407 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001497749500 1103018797 /nfs/dbraw/zinc/01/87/97/1103018797.db2.gz IWSFNTPBGZTGLN-YYZONTRBSA-N 2 0 349.425 2.310 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001494017610 1103350202 /nfs/dbraw/zinc/35/02/02/1103350202.db2.gz HULJDZOAULGDLU-NBZFBGEYSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1ccccn1 ZINC001447845578 1103433613 /nfs/dbraw/zinc/43/36/13/1103433613.db2.gz KFWIQXGHSUVOBL-JKSUJKDBSA-N 2 0 332.492 2.329 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H](CCNC(=O)C[C@H](C)n3ccnc3)C2)o1 ZINC001494058861 1103445837 /nfs/dbraw/zinc/44/58/37/1103445837.db2.gz ZRNDXMPPBHRPLT-GOEBONIOSA-N 2 0 345.447 2.159 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447885073 1103515681 /nfs/dbraw/zinc/51/56/81/1103515681.db2.gz YCLSCNSURYHGKZ-STQMWFEESA-N 2 0 336.505 2.063 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CCc1ccns1 ZINC001447916408 1103589761 /nfs/dbraw/zinc/58/97/61/1103589761.db2.gz WFHXOZZUYXABSU-ZIAGYGMSSA-N 2 0 340.537 2.146 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447930497 1103626710 /nfs/dbraw/zinc/62/67/10/1103626710.db2.gz JGVNWCLYAVMEBZ-HOTGVXAUSA-N 2 0 331.504 2.498 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccns2)C1 ZINC001494170862 1103638499 /nfs/dbraw/zinc/63/84/99/1103638499.db2.gz FOEJFOKDRZOZOL-OAHLLOKOSA-N 2 0 338.521 2.155 10 0 EEAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001447935449 1103639079 /nfs/dbraw/zinc/63/90/79/1103639079.db2.gz RISAYWPFEZWULJ-JKSUJKDBSA-N 2 0 347.503 2.271 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCc1ccsc1 ZINC001448015709 1103806434 /nfs/dbraw/zinc/80/64/34/1103806434.db2.gz NKXQAJRXMZNOEU-CRAIPNDOSA-N 2 0 349.544 2.459 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1 ZINC001494656315 1104241394 /nfs/dbraw/zinc/24/13/94/1104241394.db2.gz PGXJNDVJPDNNRH-FHWLQOOXSA-N 2 0 347.478 2.194 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccc(COC)c2)C1 ZINC001494909061 1104542497 /nfs/dbraw/zinc/54/24/97/1104542497.db2.gz CJDSFERKNMRWBN-IBGZPJMESA-N 2 0 347.503 2.208 10 0 EEAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001494995699 1104637771 /nfs/dbraw/zinc/63/77/71/1104637771.db2.gz XJWAODPCGZXTAV-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cnc(C)s1 ZINC001495015713 1104657946 /nfs/dbraw/zinc/65/79/46/1104657946.db2.gz WPCRITTXFFQOTD-CQSZACIVSA-N 2 0 336.505 2.064 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001480597686 1106737431 /nfs/dbraw/zinc/73/74/31/1106737431.db2.gz SACVYOWXROUWLY-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001480623093 1106784189 /nfs/dbraw/zinc/78/41/89/1106784189.db2.gz OBDMJACCOBBBOW-UXHICEINSA-N 2 0 343.515 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001480675902 1106863689 /nfs/dbraw/zinc/86/36/89/1106863689.db2.gz KACHLENXEFJRGU-OAHLLOKOSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480679173 1106870321 /nfs/dbraw/zinc/87/03/21/1106870321.db2.gz HOSKDIMSZDJNDB-AZUAARDMSA-N 2 0 343.515 2.317 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001498455697 1107562534 /nfs/dbraw/zinc/56/25/34/1107562534.db2.gz JQPDQTAJUNGVOC-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1ncoc1CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001493430838 1108144645 /nfs/dbraw/zinc/14/46/45/1108144645.db2.gz VLCQCVVLYXXHQT-IRXDYDNUSA-N 2 0 346.475 2.081 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]Cc1nocc1C ZINC001498904719 1108302901 /nfs/dbraw/zinc/30/29/01/1108302901.db2.gz WNLAYXFLICYGER-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cccc(OCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001493653862 1108460129 /nfs/dbraw/zinc/46/01/29/1108460129.db2.gz MSPFFGCNMTWKCY-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1cccs1)[NH+]1CCCC1 ZINC001493806817 1108687251 /nfs/dbraw/zinc/68/72/51/1108687251.db2.gz PHPKMYDUULOLGZ-QGZVFWFLSA-N 2 0 337.533 2.459 10 0 EEAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001493840055 1108724542 /nfs/dbraw/zinc/72/45/42/1108724542.db2.gz RLOOEFHRTYFQAW-UXLLHSPISA-N 2 0 327.488 2.293 10 0 EEAERP c1cc(C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc(C[NH+]2CCCCC2)c1 ZINC001460689166 1110321043 /nfs/dbraw/zinc/32/10/43/1110321043.db2.gz UETOWPAJLWGHET-KRWDZBQOSA-N 2 0 326.448 2.175 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001464108258 1110387671 /nfs/dbraw/zinc/38/76/71/1110387671.db2.gz WRNSPVGQYUYKOR-ZWKOTPCHSA-N 2 0 333.451 2.201 10 0 EEAERP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001465214955 1110413292 /nfs/dbraw/zinc/41/32/92/1110413292.db2.gz KDJLNGTYGRYPHR-MRXNPFEDSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@@H+]1C ZINC001471396047 1110521964 /nfs/dbraw/zinc/52/19/64/1110521964.db2.gz NUWHKISCGULTDX-FUHWJXTLSA-N 2 0 344.503 2.385 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001479271535 1110673315 /nfs/dbraw/zinc/67/33/15/1110673315.db2.gz NMLRGBGNNKVIMR-MOPGFXCFSA-N 2 0 345.487 2.003 10 0 EEAERP C[C@H]1[C@H](NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC001479379258 1110688557 /nfs/dbraw/zinc/68/85/57/1110688557.db2.gz SSUVSGNYBLNBBO-OKZBNKHCSA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1c1ccccc1 ZINC001479426963 1110695311 /nfs/dbraw/zinc/69/53/11/1110695311.db2.gz FLDDMCPJDIRFPG-RBUKOAKNSA-N 2 0 329.488 2.321 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001499335423 1112239620 /nfs/dbraw/zinc/23/96/20/1112239620.db2.gz AAPAABPAXSMMPN-UHFFFAOYSA-N 2 0 325.403 2.314 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106691 1112620008 /nfs/dbraw/zinc/62/00/08/1112620008.db2.gz JPTLJDLIYKVLER-SZMVWBNQSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001500107470 1112620611 /nfs/dbraw/zinc/62/06/11/1112620611.db2.gz SBIWNUTWTZOGJB-QGZVFWFLSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589959 1112960454 /nfs/dbraw/zinc/96/04/54/1112960454.db2.gz WKWDCIXAEJROKY-ROUUACIJSA-N 2 0 349.519 2.225 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001501603304 1113396310 /nfs/dbraw/zinc/39/63/10/1113396310.db2.gz ASOPPZCYNSMGIF-MAUKXSAKSA-N 2 0 333.451 2.248 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)COC1CC[NH+](C)CC1 ZINC001501668735 1113424734 /nfs/dbraw/zinc/42/47/34/1113424734.db2.gz LKEJJKKUJNWMHT-UHFFFAOYSA-N 2 0 347.503 2.254 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC001501681829 1113432520 /nfs/dbraw/zinc/43/25/20/1113432520.db2.gz RJKYNWDNVVAMOM-VQIMIIECSA-N 2 0 347.503 2.210 10 0 EEAERP C[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CCC2)CC1 ZINC001501995843 1113551546 /nfs/dbraw/zinc/55/15/46/1113551546.db2.gz KPPLMDOOROQTPR-BPQIPLTHSA-N 2 0 333.520 2.393 10 0 EEAERP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001502148090 1113617095 /nfs/dbraw/zinc/61/70/95/1113617095.db2.gz WEYMXPDZABBYMY-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001502367547 1113648232 /nfs/dbraw/zinc/64/82/32/1113648232.db2.gz KRAQPMKLXPCYDV-BZSNNMDCSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505606621 1114081675 /nfs/dbraw/zinc/08/16/75/1114081675.db2.gz UXWBJQPOGPLGQM-JKSUJKDBSA-N 2 0 327.513 2.159 10 0 EEAERP COC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001505783484 1114190010 /nfs/dbraw/zinc/19/00/10/1114190010.db2.gz IEGUUOKRQLFYIJ-KLAILNCOSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)CC1(C)C ZINC001506749148 1114862912 /nfs/dbraw/zinc/86/29/12/1114862912.db2.gz OTLNAKAJAQPHEF-QGZVFWFLSA-N 2 0 335.467 2.147 10 0 EEAERP CC/C=C/CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001506830438 1114899703 /nfs/dbraw/zinc/89/97/03/1114899703.db2.gz AEGUDNJZZUMVPQ-WXFDERKXSA-N 2 0 337.508 2.033 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001506848034 1114910873 /nfs/dbraw/zinc/91/08/73/1114910873.db2.gz VEWYWWKINKVIKH-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001506853896 1114917664 /nfs/dbraw/zinc/91/76/64/1114917664.db2.gz MECARFVJTHWLFM-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3nocc3C)C[C@@H]2C1 ZINC001506856769 1114922136 /nfs/dbraw/zinc/92/21/36/1114922136.db2.gz MGPPGTXZGCDQPP-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccc(F)cn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506927377 1114979701 /nfs/dbraw/zinc/97/97/01/1114979701.db2.gz HVFOYYYHSWPZDZ-WMLDXEAASA-N 2 0 336.455 2.080 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506951862 1115000531 /nfs/dbraw/zinc/00/05/31/1115000531.db2.gz ROOOGOITHZTCJW-FUHWJXTLSA-N 2 0 346.519 2.079 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001507088468 1115101966 /nfs/dbraw/zinc/10/19/66/1115101966.db2.gz LHGYICDFTZWQQE-OAHLLOKOSA-N 2 0 348.491 2.050 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001507152234 1115136231 /nfs/dbraw/zinc/13/62/31/1115136231.db2.gz ACLXPDNPLLLNME-JKSUJKDBSA-N 2 0 332.492 2.093 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)cn1 ZINC001507164650 1115143359 /nfs/dbraw/zinc/14/33/59/1115143359.db2.gz ZWULDXCNVUQTNP-DLBZAZTESA-N 2 0 347.507 2.159 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001507296028 1115179163 /nfs/dbraw/zinc/17/91/63/1115179163.db2.gz GTPSMAWTUQHFHH-CRAIPNDOSA-N 2 0 333.476 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001507426356 1115262452 /nfs/dbraw/zinc/26/24/52/1115262452.db2.gz FYZGDMAFQZHNOY-OALUTQOASA-N 2 0 331.504 2.444 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CCOC)C(C)(C)C1)c1ccccc1 ZINC001507449653 1115275865 /nfs/dbraw/zinc/27/58/65/1115275865.db2.gz IQZQUVZFSHNONE-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001507861944 1115360153 /nfs/dbraw/zinc/36/01/53/1115360153.db2.gz JKVCTBXLMCDLTQ-UHFFFAOYSA-N 2 0 334.508 2.399 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001508087624 1115416919 /nfs/dbraw/zinc/41/69/19/1115416919.db2.gz QKZZVPJEXKNZMF-HUUCEWRRSA-N 2 0 349.441 2.496 10 0 EEAERP CCOCC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001508111298 1115421865 /nfs/dbraw/zinc/42/18/65/1115421865.db2.gz OFNADLZBNHLLGV-UHFFFAOYSA-N 2 0 339.505 2.039 10 0 EEAERP CC(C)=CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001508179978 1115435947 /nfs/dbraw/zinc/43/59/47/1115435947.db2.gz OHAKUITUZHUKOG-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001508220722 1115449993 /nfs/dbraw/zinc/44/99/93/1115449993.db2.gz VTUQPOXXBNMXMC-MJGOQNOKSA-N 2 0 349.519 2.036 10 0 EEAERP O=C(NCC1=CC[N@H+](CCCCCF)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001508228565 1115453885 /nfs/dbraw/zinc/45/38/85/1115453885.db2.gz HXTONEJIYIXOJK-IBGZPJMESA-N 2 0 337.483 2.360 10 0 EEAERP C[NH+](C)CCCCC(=O)NCC1=CC[N@H+](CCC(F)(F)F)CC1 ZINC001508229217 1115454537 /nfs/dbraw/zinc/45/45/37/1115454537.db2.gz LLCZXGIDNXHPQA-UHFFFAOYSA-N 2 0 335.414 2.419 10 0 EEAERP CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C(F)(F)F ZINC001486254583 1193781718 /nfs/dbraw/zinc/78/17/18/1193781718.db2.gz VPKVLXUCOZIGLX-OLZOCXBDSA-N 2 0 337.430 2.211 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001567911068 1124172647 /nfs/dbraw/zinc/17/26/47/1124172647.db2.gz KAUPIOWEOHSCHA-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]C/C=C/Cl)CC1 ZINC001568088886 1124292717 /nfs/dbraw/zinc/29/27/17/1124292717.db2.gz FSXGIHNGQKTWOP-VCIFKONDSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCc1ccccc1 ZINC001568178920 1124341790 /nfs/dbraw/zinc/34/17/90/1124341790.db2.gz LEDREYZLLPMPAZ-QGZVFWFLSA-N 2 0 329.488 2.199 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568335929 1124424492 /nfs/dbraw/zinc/42/44/92/1124424492.db2.gz IYQCJCKHBKOAOA-QRVBRYPASA-N 2 0 349.494 2.422 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568678706 1124690164 /nfs/dbraw/zinc/69/01/64/1124690164.db2.gz XGBSWSKWRIAMAJ-HZPDHXFCSA-N 2 0 335.467 2.482 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)C1 ZINC001568963363 1125000153 /nfs/dbraw/zinc/00/01/53/1125000153.db2.gz ADWIDOCWSTXBMV-YIEVGGLXSA-N 2 0 335.879 2.096 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964609 1125001823 /nfs/dbraw/zinc/00/18/23/1125001823.db2.gz VLFCYGPHMCYTEK-REJHYOMKSA-N 2 0 337.414 2.240 10 0 EEAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001569213566 1125169963 /nfs/dbraw/zinc/16/99/63/1125169963.db2.gz FILQZWUNDYRCET-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CC[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000054015396 214210806 /nfs/dbraw/zinc/21/08/06/214210806.db2.gz XHPSLCWKBOBTIX-HNNXBMFYSA-N 2 0 326.282 2.477 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(-c3ccccn3)s2)CC1 ZINC000084659323 539362789 /nfs/dbraw/zinc/36/27/89/539362789.db2.gz LHRSRPOXASAEHG-UHFFFAOYSA-N 2 0 345.516 2.322 10 0 EEAERP C[N@H+](CCNC(=O)Nc1ccc(OCC[NH3+])cc1)C1CCCCC1 ZINC000415947583 529915513 /nfs/dbraw/zinc/91/55/13/529915513.db2.gz SEIFUTIWBWMAKJ-UHFFFAOYSA-N 2 0 334.464 2.410 10 0 EEAERP CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092705201 539386925 /nfs/dbraw/zinc/38/69/25/539386925.db2.gz XAZVTCWDYLIVQJ-KRWDZBQOSA-N 2 0 333.476 2.118 10 0 EEAERP C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1O2 ZINC000237070739 282725064 /nfs/dbraw/zinc/72/50/64/282725064.db2.gz SFGXTEUXWPSJAL-KRWDZBQOSA-N 2 0 343.471 2.090 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422747821 283318324 /nfs/dbraw/zinc/31/83/24/283318324.db2.gz ZOIPFCURSJVMMK-MRXNPFEDSA-N 3 0 339.524 2.019 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000422753490 240207767 /nfs/dbraw/zinc/20/77/67/240207767.db2.gz IKJCUFGMETYWQO-QAPCUYQASA-N 2 0 330.472 2.455 10 0 EEAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422788286 240225740 /nfs/dbraw/zinc/22/57/40/240225740.db2.gz QZIZCZJDNJUKDX-WOJBJXKFSA-N 2 0 331.504 2.385 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)[C@H]1n1cccn1 ZINC000423145583 240382579 /nfs/dbraw/zinc/38/25/79/240382579.db2.gz LKNJUNZPNYORGT-VIBAHUMZSA-N 2 0 329.448 2.115 10 0 EEAERP CN(CCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1)CC[NH+](C)C ZINC000459543146 245161527 /nfs/dbraw/zinc/16/15/27/245161527.db2.gz YPLQUUBYOSGKJE-HXUWFJFHSA-N 2 0 332.536 2.076 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000460228497 245330488 /nfs/dbraw/zinc/33/04/88/245330488.db2.gz IUBYJEPAMPTBDW-UHFFFAOYSA-N 2 0 334.508 2.298 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000264214128 246193043 /nfs/dbraw/zinc/19/30/43/246193043.db2.gz UNBDNPLVVADPAJ-UHFFFAOYSA-N 2 0 333.476 2.231 10 0 EEAERP CCC[NH+]1CCN(c2ncc(Br)cc2C[NH2+]C)CC1 ZINC000051436463 132181464 /nfs/dbraw/zinc/18/14/64/132181464.db2.gz WJOWECLTODBCFN-UHFFFAOYSA-N 2 0 327.270 2.096 10 0 EEAERP COCCN(C)c1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000191463069 152257776 /nfs/dbraw/zinc/25/77/76/152257776.db2.gz MTBUWRKCIJEVPU-UHFFFAOYSA-N 2 0 334.508 2.374 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428088 153786174 /nfs/dbraw/zinc/78/61/74/153786174.db2.gz CAGYMJHTCUYDON-GFIVTLFCSA-N 2 0 345.487 2.287 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000245423598 160233704 /nfs/dbraw/zinc/23/37/04/160233704.db2.gz RBUUFWYLOOLNMZ-HZPDHXFCSA-N 2 0 326.529 2.479 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247333645 160320776 /nfs/dbraw/zinc/32/07/76/160320776.db2.gz NDDDBMJHQKTUAW-CSNJMZFVSA-N 2 0 336.524 2.279 10 0 EEAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248199888 160340778 /nfs/dbraw/zinc/34/07/78/160340778.db2.gz YHNPSCYVTZROJE-MAUKXSAKSA-N 2 0 341.455 2.089 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[C@H]21 ZINC000375804252 167200695 /nfs/dbraw/zinc/20/06/95/167200695.db2.gz HKQRYSUTXRSTSX-VBNZEHGJSA-N 2 0 337.414 2.157 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246117721 274095734 /nfs/dbraw/zinc/09/57/34/274095734.db2.gz IERACQKRLQIRRA-CEXWTWQISA-N 2 0 348.535 2.400 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)CC3CC[NH+](C)CC3)c2)CC1 ZINC000291737401 275335092 /nfs/dbraw/zinc/33/50/92/275335092.db2.gz SJRAEIJENMXKST-UHFFFAOYSA-N 2 0 344.503 2.499 10 0 EEAERP C(C[NH+]1CCC2(CCCCC2)CC1)N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423113529 277714462 /nfs/dbraw/zinc/71/44/62/277714462.db2.gz YKQGZDICUJFDJU-RBUKOAKNSA-N 2 0 335.536 2.389 10 0 EEAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000247484838 278200026 /nfs/dbraw/zinc/20/00/26/278200026.db2.gz KKVMEDDCDBJCFJ-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccn1C ZINC000183037837 288037681 /nfs/dbraw/zinc/03/76/81/288037681.db2.gz OMXSYFHIJGVJEW-KRWDZBQOSA-N 2 0 333.524 2.411 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129032785 279157625 /nfs/dbraw/zinc/15/76/25/279157625.db2.gz CLVJHNKTMWZTDT-JFIYKMOQSA-N 2 0 336.524 2.375 10 0 EEAERP COCCN1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)C1 ZINC000293054809 293113017 /nfs/dbraw/zinc/11/30/17/293113017.db2.gz UGZOFETUYCGNII-CQSZACIVSA-N 2 0 342.867 2.210 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000339265178 312253630 /nfs/dbraw/zinc/25/36/30/312253630.db2.gz QOMZOZZBLLGWSX-UHFFFAOYSA-N 2 0 332.492 2.385 10 0 EEAERP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000414682143 313063519 /nfs/dbraw/zinc/06/35/19/313063519.db2.gz XVKQIBCVSWUAAN-FUHWJXTLSA-N 2 0 347.503 2.145 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000416808221 313321583 /nfs/dbraw/zinc/32/15/83/313321583.db2.gz HVGYFHWYRWLVBQ-PMPSAXMXSA-N 2 0 334.464 2.104 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416812286 313322829 /nfs/dbraw/zinc/32/28/29/313322829.db2.gz DPUMOBYBMLEJJI-QFBILLFUSA-N 2 0 346.475 2.202 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000416819428 313325029 /nfs/dbraw/zinc/32/50/29/313325029.db2.gz SHHPRDFSTSNVPT-OAGGEKHMSA-N 2 0 334.464 2.104 10 0 EEAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416834052 313328878 /nfs/dbraw/zinc/32/88/78/313328878.db2.gz CZXONVSCSWHPCA-QUCCMNQESA-N 2 0 342.487 2.046 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000416893938 313352238 /nfs/dbraw/zinc/35/22/38/313352238.db2.gz YJOLSPABQGPCFU-RBUKOAKNSA-N 2 0 344.503 2.422 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416966966 313374892 /nfs/dbraw/zinc/37/48/92/313374892.db2.gz GGVXKNOEIQGLPC-RBUKOAKNSA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCC[NH3+])cc2)C1 ZINC000416986852 313384264 /nfs/dbraw/zinc/38/42/64/313384264.db2.gz JKIHAOSMUOFQKN-HZPDHXFCSA-N 2 0 332.492 2.313 10 0 EEAERP [NH3+][C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418443311 313814761 /nfs/dbraw/zinc/81/47/61/313814761.db2.gz FMKSTNHRCKSJNN-QZTJIDSGSA-N 2 0 330.476 2.346 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000420978082 314011776 /nfs/dbraw/zinc/01/17/76/314011776.db2.gz ITUDDFNCJCVAQK-HXUWFJFHSA-N 2 0 337.552 2.420 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440346937 315124597 /nfs/dbraw/zinc/12/45/97/315124597.db2.gz YHPHIFNCEZPTQE-UHFFFAOYSA-N 2 0 345.516 2.322 10 0 EEAERP CC(C)C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)NCC[NH+](C)C ZINC000442836196 315214468 /nfs/dbraw/zinc/21/44/68/315214468.db2.gz HOHAWDPMJLIJKA-NRXISQOPSA-N 2 0 333.467 2.492 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000528291227 317354916 /nfs/dbraw/zinc/35/49/16/317354916.db2.gz CVDMOPWACLLYGN-HDICACEKSA-N 2 0 334.508 2.319 10 0 EEAERP CN(CCC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cc[nH+]cc1 ZINC000540928598 318084421 /nfs/dbraw/zinc/08/44/21/318084421.db2.gz HVVYFRIRSUBOHG-SFHVURJKSA-N 2 0 344.434 2.466 10 0 EEAERP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000569349560 319568456 /nfs/dbraw/zinc/56/84/56/319568456.db2.gz NRKJOEVTIUTVDQ-DZJNRPSUSA-N 2 0 348.512 2.458 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000576940780 320217947 /nfs/dbraw/zinc/21/79/47/320217947.db2.gz CTPXZVVIAIJSIH-QFBILLFUSA-N 2 0 344.503 2.232 10 0 EEAERP CCC[C@@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000580315293 324038472 /nfs/dbraw/zinc/03/84/72/324038472.db2.gz BHGHEISAPIDQLC-SQNIBIBYSA-N 2 0 339.524 2.243 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000351541714 465211284 /nfs/dbraw/zinc/21/12/84/465211284.db2.gz RYZXQXUQSARZSH-QUCCMNQESA-N 2 0 345.487 2.431 10 0 EEAERP CC(C)(CNC(=O)NCc1ccc2c[nH+]cn2c1)C[NH+]1CCCC1 ZINC000298141316 465313722 /nfs/dbraw/zinc/31/37/22/465313722.db2.gz ALCSMUOVMCLBMR-UHFFFAOYSA-N 2 0 329.448 2.256 10 0 EEAERP c1nc([C@H]2CCC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)n2c1CCCC2 ZINC000337447249 465375386 /nfs/dbraw/zinc/37/53/86/465375386.db2.gz QSTYJNJNTXTAHX-YTQUADARSA-N 2 0 344.503 2.262 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000095956261 463114879 /nfs/dbraw/zinc/11/48/79/463114879.db2.gz ZYBOFEJQMZJPEN-GOSISDBHSA-N 2 0 341.455 2.483 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000522014381 468350143 /nfs/dbraw/zinc/35/01/43/468350143.db2.gz PBYTXUITRCEZKT-UHFFFAOYSA-N 2 0 330.476 2.159 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000080708640 463348796 /nfs/dbraw/zinc/34/87/96/463348796.db2.gz FLHFCKGEANWSMU-MVCQKVDPSA-N 2 0 348.535 2.375 10 0 EEAERP COc1ccccc1NC(=O)CN1CCC[C@@H](Cc2nccn2C)C1 ZINC000123758208 463366618 /nfs/dbraw/zinc/36/66/18/463366618.db2.gz TZJMNHJPSWIHQX-HNNXBMFYSA-N 2 0 342.443 2.322 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000590859801 468359172 /nfs/dbraw/zinc/35/91/72/468359172.db2.gz RDZYENVAAIUGET-ROUUACIJSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000553380170 468363653 /nfs/dbraw/zinc/36/36/53/468363653.db2.gz JZHHIYHPNQIAQK-MRXNPFEDSA-N 2 0 329.488 2.281 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000109752167 463648459 /nfs/dbraw/zinc/64/84/59/463648459.db2.gz XCQUAIKPPDBJAT-LJQANCHMSA-N 2 0 344.503 2.117 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000170827073 463714569 /nfs/dbraw/zinc/71/45/69/463714569.db2.gz RVNCUTDLWHYQSY-GOSISDBHSA-N 2 0 330.476 2.128 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000170829516 463715861 /nfs/dbraw/zinc/71/58/61/463715861.db2.gz GKRFJPPQVAFRHQ-JKSUJKDBSA-N 2 0 338.521 2.477 10 0 EEAERP CN(c1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000268361106 463717072 /nfs/dbraw/zinc/71/70/72/463717072.db2.gz PQEBEDYBYLQFST-FXAWDEMLSA-N 2 0 331.504 2.468 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000170863100 463725734 /nfs/dbraw/zinc/72/57/34/463725734.db2.gz WUXCPMNVXACLIK-CABCVRRESA-N 2 0 336.505 2.231 10 0 EEAERP Cc1ccc(CNC(=O)C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1F ZINC000261742020 463845409 /nfs/dbraw/zinc/84/54/09/463845409.db2.gz IMVYWCRVDXLJAG-HXUWFJFHSA-N 2 0 347.478 2.462 10 0 EEAERP CC[NH+]1CCN(c2ccc(-c3nc(C[C@@H](C)[NH2+]C)no3)cc2)CC1 ZINC000261849337 463878768 /nfs/dbraw/zinc/87/87/68/463878768.db2.gz SRFVVHXFCRWBRK-CQSZACIVSA-N 2 0 329.448 2.029 10 0 EEAERP Cc1cnn(CCCCC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000171929612 463952047 /nfs/dbraw/zinc/95/20/47/463952047.db2.gz YQRUXYFTBOYKSF-GOSISDBHSA-N 2 0 336.524 2.386 10 0 EEAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000262151385 463958782 /nfs/dbraw/zinc/95/87/82/463958782.db2.gz RMSFGJKHPPMKIP-ZVZYQTTQSA-N 2 0 345.487 2.464 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000247383488 464672649 /nfs/dbraw/zinc/67/26/49/464672649.db2.gz PXZJYGWRQZHPCV-OAGGEKHMSA-N 2 0 326.529 2.381 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000192785801 464997462 /nfs/dbraw/zinc/99/74/62/464997462.db2.gz DIMODGOIMNAZBQ-MRXNPFEDSA-N 2 0 333.476 2.482 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000351802020 465369215 /nfs/dbraw/zinc/36/92/15/465369215.db2.gz YTWNYFJSHRZWHI-MOPGFXCFSA-N 2 0 346.519 2.333 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000579948756 468440252 /nfs/dbraw/zinc/44/02/52/468440252.db2.gz XNXGJQBTXPSUFL-UHFFFAOYSA-N 2 0 337.508 2.186 10 0 EEAERP C[C@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000353678023 466061549 /nfs/dbraw/zinc/06/15/49/466061549.db2.gz ZNDJKFJBRAIHKN-SFHVURJKSA-N 2 0 331.504 2.447 10 0 EEAERP COC(=O)c1coc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000597179391 468473228 /nfs/dbraw/zinc/47/32/28/468473228.db2.gz YPBNRPKSWZHDLL-UHFFFAOYSA-N 2 0 336.432 2.047 10 0 EEAERP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349778994 466237028 /nfs/dbraw/zinc/23/70/28/466237028.db2.gz RVHRQNPWZWKFPG-ROUUACIJSA-N 2 0 348.466 2.307 10 0 EEAERP CCOC(=O)c1cc(CN2CCO[C@H](CCC[NH+](C)C)C2)[nH]c1C ZINC000597248073 468495215 /nfs/dbraw/zinc/49/52/15/468495215.db2.gz LEWGDHDXERQNJV-MRXNPFEDSA-N 2 0 337.464 2.042 10 0 EEAERP CC1=CC[NH+](CCNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000358199411 466536354 /nfs/dbraw/zinc/53/63/54/466536354.db2.gz ZACHKFRADHFQQL-FGTMMUONSA-N 2 0 336.524 2.304 10 0 EEAERP CN(C(=O)NCC1CCCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363816807 466628206 /nfs/dbraw/zinc/62/82/06/466628206.db2.gz JIGGZMZDRYCPFB-GOSISDBHSA-N 2 0 336.524 2.377 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423072228 466691514 /nfs/dbraw/zinc/69/15/14/466691514.db2.gz PLTRYKUEKVVYJH-MGPQQGTHSA-N 2 0 337.489 2.373 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290744 466709822 /nfs/dbraw/zinc/70/98/22/466709822.db2.gz FHOLUCJTMOBYNB-KBPBESRZSA-N 2 0 347.484 2.465 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000423371704 466731324 /nfs/dbraw/zinc/73/13/24/466731324.db2.gz ARLPXKJRSPODIL-JJXSEGSLSA-N 2 0 349.441 2.007 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417026587 466758732 /nfs/dbraw/zinc/75/87/32/466758732.db2.gz NMDPQHVOBPZVCG-VQVIJEGRSA-N 2 0 336.524 2.279 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000417029243 466758760 /nfs/dbraw/zinc/75/87/60/466758760.db2.gz NTNKYTMYXMQXDH-LJQANCHMSA-N 2 0 336.524 2.284 10 0 EEAERP C1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000423508373 466761095 /nfs/dbraw/zinc/76/10/95/466761095.db2.gz LBAPAIZOHBJHII-WFAGLZIHSA-N 3 0 334.552 2.103 10 0 EEAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000417656650 466901036 /nfs/dbraw/zinc/90/10/36/466901036.db2.gz GRBJWTQGSRUODN-UKRRQHHQSA-N 2 0 336.455 2.156 10 0 EEAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417709934 466914214 /nfs/dbraw/zinc/91/42/14/466914214.db2.gz WYNKULLHFGZZCD-GOSISDBHSA-N 2 0 347.507 2.125 10 0 EEAERP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000417739573 466922098 /nfs/dbraw/zinc/92/20/98/466922098.db2.gz QEEVXICSYFHBQO-IIAWOOMASA-N 2 0 336.505 2.134 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000417845921 466953438 /nfs/dbraw/zinc/95/34/38/466953438.db2.gz IYRVFTQGBODONK-MSOLQXFVSA-N 2 0 332.492 2.072 10 0 EEAERP O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccccc1CC1CC[NH2+]CC1 ZINC000417847687 466954931 /nfs/dbraw/zinc/95/49/31/466954931.db2.gz ZLMHXMMVMWPUKP-SFHVURJKSA-N 2 0 329.488 2.491 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000417931498 466990456 /nfs/dbraw/zinc/99/04/56/466990456.db2.gz LIXSXNGOMLFAMR-SAGYGOJTSA-N 2 0 336.524 2.138 10 0 EEAERP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000424178007 466996996 /nfs/dbraw/zinc/99/69/96/466996996.db2.gz QKGDNWFBTKTHNJ-LJQANCHMSA-N 2 0 328.460 2.320 10 0 EEAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418035796 467030992 /nfs/dbraw/zinc/03/09/92/467030992.db2.gz BDUGPKJPYHHYAO-POAQFYNOSA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000418579546 467131232 /nfs/dbraw/zinc/13/12/32/467131232.db2.gz RMHAEOBLFPLJEO-OWSLCNJRSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418587670 467132189 /nfs/dbraw/zinc/13/21/89/467132189.db2.gz GZRSJVQZFQVLPP-UHOFOFEASA-N 2 0 338.883 2.240 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000418604806 467134803 /nfs/dbraw/zinc/13/48/03/467134803.db2.gz PCEKPMYREDJTEU-FGTMMUONSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418697666 467146986 /nfs/dbraw/zinc/14/69/86/467146986.db2.gz MEBCAYRQXDYKSR-IAGOWNOFSA-N 2 0 332.492 2.072 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418700277 467147609 /nfs/dbraw/zinc/14/76/09/467147609.db2.gz FNEYNISGQOQBNK-CAMMJAKZSA-N 2 0 344.503 2.418 10 0 EEAERP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428541749 467244254 /nfs/dbraw/zinc/24/42/54/467244254.db2.gz CMHVLHNDYSWBAF-XNRPHZJLSA-N 2 0 341.293 2.140 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380143081 467370988 /nfs/dbraw/zinc/37/09/88/467370988.db2.gz GUQSFMHJJBLULL-HKUYNNGSSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C[C@H](C)[N@H+]1C ZINC000454715174 467611495 /nfs/dbraw/zinc/61/14/95/467611495.db2.gz DFEZJGTVFPXQLX-ATLSCFEFSA-N 2 0 330.476 2.166 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459264418 467953294 /nfs/dbraw/zinc/95/32/94/467953294.db2.gz MYYKJYCHUQWSJV-QGZVFWFLSA-N 2 0 338.540 2.482 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)[C@@H](C)C1 ZINC000532234027 468105431 /nfs/dbraw/zinc/10/54/31/468105431.db2.gz VROUBISZGGPKPT-FXAWDEMLSA-N 2 0 346.515 2.243 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000489076329 468119027 /nfs/dbraw/zinc/11/90/27/468119027.db2.gz MEFIWXCDXLTSGE-FQEVSTJZSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1CCNC(=O)[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519597326 468179099 /nfs/dbraw/zinc/17/90/99/468179099.db2.gz BKEPAKVSRRFESL-NJAFHUGGSA-N 2 0 327.472 2.298 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000560515478 468823755 /nfs/dbraw/zinc/82/37/55/468823755.db2.gz UNIVMEURLFOFPS-ULQDDVLXSA-N 2 0 337.489 2.021 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000561128781 468865109 /nfs/dbraw/zinc/86/51/09/468865109.db2.gz ODJWKCGXJZRCHG-WBVHZDCISA-N 2 0 336.505 2.136 10 0 EEAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000572512427 468943945 /nfs/dbraw/zinc/94/39/45/468943945.db2.gz SPTPDRNYLQTUSY-LJQANCHMSA-N 2 0 346.446 2.459 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)CC[NH2+]CC1 ZINC000596650425 469322185 /nfs/dbraw/zinc/32/21/85/469322185.db2.gz IDLNJULFJGQEKP-SUMWQHHRSA-N 2 0 331.460 2.167 10 0 EEAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCOCCC[NH3+] ZINC000629401593 469531882 /nfs/dbraw/zinc/53/18/82/469531882.db2.gz TXOALHJPFKJVSA-LLVKDONJSA-N 2 0 333.245 2.474 10 0 EEAERP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000629523735 469572687 /nfs/dbraw/zinc/57/26/87/469572687.db2.gz IQJXQCRREMPMNO-REPLKXPHSA-N 2 0 329.488 2.280 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000623551246 469691854 /nfs/dbraw/zinc/69/18/54/469691854.db2.gz QTVPZKYMIMCBFZ-IBGZPJMESA-N 3 0 345.531 2.476 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[NH2+]1 ZINC000626922493 469755790 /nfs/dbraw/zinc/75/57/90/469755790.db2.gz ZKFYMUTYEGQHOE-KFWWJZLASA-N 2 0 336.505 2.325 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000626925830 469757620 /nfs/dbraw/zinc/75/76/20/469757620.db2.gz SAMGALWIOXLWOV-YJBOKZPZSA-N 2 0 332.492 2.468 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000626932208 469759728 /nfs/dbraw/zinc/75/97/28/469759728.db2.gz SFRHVDOBEZHLRL-QFBILLFUSA-N 2 0 344.503 2.468 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627165788 469830719 /nfs/dbraw/zinc/83/07/19/469830719.db2.gz GNJXUKAPJXUKST-GBESFXJTSA-N 2 0 344.503 2.433 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000627166398 469831975 /nfs/dbraw/zinc/83/19/75/469831975.db2.gz CZNFTGNWSDBKKI-FGTMMUONSA-N 2 0 330.476 2.043 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1ccnn1CC1CCC1)N1CC[NH+](C)CC1 ZINC000631038968 470053680 /nfs/dbraw/zinc/05/36/80/470053680.db2.gz PXBGMFDOUNBLTG-IBGZPJMESA-N 2 0 333.524 2.045 10 0 EEAERP COc1cncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1C ZINC000631172383 470085989 /nfs/dbraw/zinc/08/59/89/470085989.db2.gz KLUJLMFJIMCIBI-IBGZPJMESA-N 2 0 341.455 2.255 10 0 EEAERP O[C@]1(CNC2CC([NH+]3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712872 470284694 /nfs/dbraw/zinc/28/46/94/470284694.db2.gz NHZLXVUQYFSMKI-CBNMVNINSA-N 2 0 343.515 2.230 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC/C=C\C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000641861590 470503898 /nfs/dbraw/zinc/50/38/98/470503898.db2.gz CGONZQHALLUYSQ-MYOVTOPRSA-N 2 0 330.476 2.196 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000646850198 470755233 /nfs/dbraw/zinc/75/52/33/470755233.db2.gz WVPRGKOWFGFHJE-ROUUACIJSA-N 2 0 329.488 2.451 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287853 470876822 /nfs/dbraw/zinc/87/68/22/470876822.db2.gz WAIAEQQSAUJEFC-DLBZAZTESA-N 2 0 333.524 2.144 10 0 EEAERP c1ccc(C[NH+]2CCN(CCC[NH2+]CCC[C@@H]3CCO3)CC2)cc1 ZINC000638355875 471054523 /nfs/dbraw/zinc/05/45/23/471054523.db2.gz SQIWGCLYHSEGCM-HXUWFJFHSA-N 2 0 331.504 2.353 10 0 EEAERP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657361406 471112910 /nfs/dbraw/zinc/11/29/10/471112910.db2.gz CVNHSDTZNZIHMF-LSDHHAIUSA-N 2 0 327.432 2.004 10 0 EEAERP Nc1nc(NCc2ccc(-n3ccnc3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000645135724 471149626 /nfs/dbraw/zinc/14/96/26/471149626.db2.gz OVXWMHYQUGZQMB-UHFFFAOYSA-N 2 0 338.390 2.296 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000652048224 471214733 /nfs/dbraw/zinc/21/47/33/471214733.db2.gz ITCAMRASGZEOMI-GOSISDBHSA-N 2 0 349.438 2.442 10 0 EEAERP CC(C)(C)N1C[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1=O ZINC000657756159 471228328 /nfs/dbraw/zinc/22/83/28/471228328.db2.gz SXQIVTYYQZEBRW-AWEZNQCLSA-N 2 0 327.432 2.004 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000652140977 471243970 /nfs/dbraw/zinc/24/39/70/471243970.db2.gz BFPNXPXCXQZNDA-MRXNPFEDSA-N 2 0 332.492 2.326 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652241334 471260815 /nfs/dbraw/zinc/26/08/15/471260815.db2.gz DWJFKCHIPBYDRY-UHFFFAOYSA-N 2 0 332.492 2.197 10 0 EEAERP O[C@]1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOC1 ZINC000652263145 471263974 /nfs/dbraw/zinc/26/39/74/471263974.db2.gz KZJIFVUOEFGFMZ-IYWMVGAKSA-N 2 0 330.472 2.313 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000652286759 471267090 /nfs/dbraw/zinc/26/70/90/471267090.db2.gz DUDYEHASUFXVRI-MAUKXSAKSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660448677 471345990 /nfs/dbraw/zinc/34/59/90/471345990.db2.gz HEMXEFCPFMIPQP-CRAIPNDOSA-N 2 0 330.476 2.025 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000655805384 471489084 /nfs/dbraw/zinc/48/90/84/471489084.db2.gz GXFCEBMSOWDOSA-IOASZLSFSA-N 2 0 325.478 2.049 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000655826536 471496905 /nfs/dbraw/zinc/49/69/05/471496905.db2.gz HXHSFBGXKPTTTO-VDISTLRHSA-N 2 0 337.830 2.490 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CCCC2)CC1 ZINC000653118277 471497518 /nfs/dbraw/zinc/49/75/18/471497518.db2.gz HMMVHHAJQWNIFQ-ROUUACIJSA-N 2 0 349.519 2.057 10 0 EEAERP CC[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000669485158 471514910 /nfs/dbraw/zinc/51/49/10/471514910.db2.gz UDLDAAMASRTQFW-RHSMWYFYSA-N 2 0 336.455 2.156 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000653175848 471518660 /nfs/dbraw/zinc/51/86/60/471518660.db2.gz CQPPQYPJCBIYDF-KRWDZBQOSA-N 2 0 330.476 2.132 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659434939 471626295 /nfs/dbraw/zinc/62/62/95/471626295.db2.gz SGGHSNBJYDSABB-KBAYOESNSA-N 2 0 332.492 2.162 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000659468669 471642845 /nfs/dbraw/zinc/64/28/45/471642845.db2.gz DCFAQXDFDYPUPT-KBAYOESNSA-N 2 0 332.492 2.322 10 0 EEAERP C[C@]1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCC[N@@H+]1Cc1ccccc1 ZINC000659483640 471650981 /nfs/dbraw/zinc/65/09/81/471650981.db2.gz CJCAWCFUPGEKKV-SKINQDTJSA-N 2 0 342.487 2.174 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC1 ZINC000659500466 471658166 /nfs/dbraw/zinc/65/81/66/471658166.db2.gz VXFUSZAZRGQDOV-IAGOWNOFSA-N 2 0 348.466 2.122 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659558676 471676923 /nfs/dbraw/zinc/67/69/23/471676923.db2.gz BNJJHNJNKNPIQN-SFHVURJKSA-N 2 0 338.540 2.386 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664329211 471721528 /nfs/dbraw/zinc/72/15/28/471721528.db2.gz FXWASRZUPIDVKE-INIZCTEOSA-N 2 0 347.507 2.290 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000667329288 471739900 /nfs/dbraw/zinc/73/99/00/471739900.db2.gz FCDBJWFRKCUENO-NZSAHSFTSA-N 2 0 344.503 2.385 10 0 EEAERP c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n(-c2ccncc2)n1 ZINC000667601834 471838767 /nfs/dbraw/zinc/83/87/67/471838767.db2.gz LBRNAYHUPZEWOV-HNNXBMFYSA-N 2 0 349.442 2.185 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000654352146 471923808 /nfs/dbraw/zinc/92/38/08/471923808.db2.gz YQAHTFIWNJNVTK-XOKHGSTOSA-N 2 0 336.455 2.068 10 0 EEAERP COc1ccccc1-c1cc(C[NH2+][C@@H](C)C[C@H]2COCCN2)on1 ZINC000665298885 471995445 /nfs/dbraw/zinc/99/54/45/471995445.db2.gz BUSHIQZVPCTNAI-KBPBESRZSA-N 2 0 331.416 2.207 10 0 EEAERP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298664 472061714 /nfs/dbraw/zinc/06/17/14/472061714.db2.gz WQEJXJOSCHKXGH-RDJZCZTQSA-N 2 0 340.475 2.435 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662730471 472226666 /nfs/dbraw/zinc/22/66/66/472226666.db2.gz GHGFJUKNDQLGLE-UKRRQHHQSA-N 2 0 342.281 2.113 10 0 EEAERP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000662881771 472289494 /nfs/dbraw/zinc/28/94/94/472289494.db2.gz BCUUBFPDAHUFAA-ROUUACIJSA-N 2 0 325.412 2.294 10 0 EEAERP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000662918321 472298947 /nfs/dbraw/zinc/29/89/47/472298947.db2.gz CEOHERZPAVULHT-OKZBNKHCSA-N 2 0 327.472 2.142 10 0 EEAERP [NH3+]C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002775 472324049 /nfs/dbraw/zinc/32/40/49/472324049.db2.gz IXMWZCSBNIOEAE-MAUKXSAKSA-N 2 0 333.451 2.106 10 0 EEAERP CC[NH+]1CCC(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673862042 485560504 /nfs/dbraw/zinc/56/05/04/485560504.db2.gz FKVURZNBWJYVRV-UHFFFAOYSA-N 2 0 328.420 2.121 10 0 EEAERP [NH3+]CCCOCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000629541596 485730629 /nfs/dbraw/zinc/73/06/29/485730629.db2.gz ROQHSHPPIQAKSH-UHFFFAOYSA-N 2 0 343.874 2.399 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545817 485731659 /nfs/dbraw/zinc/73/16/59/485731659.db2.gz CQLKCVWBDKKIFK-LLVKDONJSA-N 2 0 326.400 2.144 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccoc3C(F)(F)F)C2)CC1 ZINC000685734358 486178768 /nfs/dbraw/zinc/17/87/68/486178768.db2.gz JMSFTGCFXWDQPA-LLVKDONJSA-N 2 0 345.365 2.197 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000673206580 486295093 /nfs/dbraw/zinc/29/50/93/486295093.db2.gz XSLVPIARPBNDOR-CQSZACIVSA-N 2 0 334.455 2.089 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000174180341 527742794 /nfs/dbraw/zinc/74/27/94/527742794.db2.gz ONMAGWXIHJHVFS-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCN1CC(F)F ZINC000193001825 529291176 /nfs/dbraw/zinc/29/11/76/529291176.db2.gz DFNAMBLYIRROPY-KRWDZBQOSA-N 2 0 346.510 2.064 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000448358806 534935526 /nfs/dbraw/zinc/93/55/26/534935526.db2.gz HOEKPIWJUXDFGV-LJQANCHMSA-N 2 0 331.504 2.421 10 0 EEAERP COc1ccc2c(c1OC)CC[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000242346912 537029427 /nfs/dbraw/zinc/02/94/27/537029427.db2.gz ZKCVKBDNBYALDX-SFHVURJKSA-N 2 0 347.503 2.307 10 0 EEAERP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000730670374 577049176 /nfs/dbraw/zinc/04/91/76/577049176.db2.gz QXHBODGYFMTBBW-INIZCTEOSA-N 2 0 348.491 2.480 10 0 EEAERP Cc1ccccc1[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000741778782 578123818 /nfs/dbraw/zinc/12/38/18/578123818.db2.gz ARAIWJFRYBJFCI-FQEVSTJZSA-N 2 0 332.488 2.463 10 0 EEAERP CSC1CCC(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000924293358 674922537 /nfs/dbraw/zinc/92/25/37/674922537.db2.gz NCUFIDAPCQHGAP-UHFFFAOYSA-N 2 0 344.569 2.043 10 0 EEAERP C(=C\C[NH2+][C@]12C[C@H]1COC21CCC1)\C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388065 676655113 /nfs/dbraw/zinc/65/51/13/676655113.db2.gz XAVCHMBUXQCYFX-MNNPPGIESA-N 2 0 330.472 2.145 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnn1C1CCC1 ZINC000925039065 682650587 /nfs/dbraw/zinc/65/05/87/682650587.db2.gz ABRXMFMQYRYHFY-JKSUJKDBSA-N 2 0 331.508 2.427 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2CCOC2=S)CC1 ZINC000066793815 683420046 /nfs/dbraw/zinc/42/00/46/683420046.db2.gz PMTSGNAOOFDROO-UHFFFAOYSA-N 2 0 333.501 2.405 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000894961926 683439836 /nfs/dbraw/zinc/43/98/36/683439836.db2.gz RGDMYBVCVZHXAK-QRQLOZEOSA-N 2 0 346.519 2.360 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000914384018 683546550 /nfs/dbraw/zinc/54/65/50/683546550.db2.gz KHYHETHRWLEFHN-LPHOPBHVSA-N 2 0 344.503 2.290 10 0 EEAERP CC(C)C[NH+]1CCC(N2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000257196770 684170882 /nfs/dbraw/zinc/17/08/82/684170882.db2.gz YVZYUVPCJGGXLO-DOTOQJQBSA-N 2 0 348.491 2.075 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cscc2C(F)F)C[C@H]1C[NH+](C)C ZINC000899159951 693631697 /nfs/dbraw/zinc/63/16/97/693631697.db2.gz YOVVNQLQEYORSL-VXGBXAGGSA-N 2 0 345.459 2.497 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC1(C)C ZINC001485582964 1191849046 /nfs/dbraw/zinc/84/90/46/1191849046.db2.gz WXLYQDDOUJNBBU-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001485657802 1191892161 /nfs/dbraw/zinc/89/21/61/1191892161.db2.gz NULZSNPGBOQGCS-GBESFXJTSA-N 2 0 344.503 2.139 10 0 EEAERP C[C@@H](CCC[NH2+]C[C@@H]1CCCOC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001485740185 1191917252 /nfs/dbraw/zinc/91/72/52/1191917252.db2.gz IUBROHPJAQZIKU-WMZOPIPTSA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1ccnn1C)C(C)C ZINC001691767116 1176081989 /nfs/dbraw/zinc/08/19/89/1176081989.db2.gz KYVKJKPQACJSTG-SFHVURJKSA-N 2 0 349.523 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C)nc1C ZINC001480871354 1176448851 /nfs/dbraw/zinc/44/88/51/1176448851.db2.gz LPKXJDKMZVZBPX-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001266902224 1177763464 /nfs/dbraw/zinc/76/34/64/1177763464.db2.gz OXDDNMAFERIRDW-GOWPUTTJSA-N 2 0 331.504 2.265 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267270947 1178650256 /nfs/dbraw/zinc/65/02/56/1178650256.db2.gz XXMITFWMFGIPTD-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C(C)C)sn1 ZINC001267308128 1178729088 /nfs/dbraw/zinc/72/90/88/1178729088.db2.gz MQAGGWMCKATVHB-MRXNPFEDSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)Cc1ccc(C[NH2+]CCN(C)C(=O)Cc2cncn2C)cc1 ZINC001267456504 1179039187 /nfs/dbraw/zinc/03/91/87/1179039187.db2.gz ZRNDRWLIOBYGQP-UHFFFAOYSA-N 2 0 342.487 2.409 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(F)cc1 ZINC001267515147 1179234917 /nfs/dbraw/zinc/23/49/17/1179234917.db2.gz YIXNJESHQYKOKB-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cccnc1 ZINC001481003559 1179461642 /nfs/dbraw/zinc/46/16/42/1179461642.db2.gz FSOCORVHICRUFJ-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)c1ccc(F)cc1 ZINC001481011886 1179490379 /nfs/dbraw/zinc/49/03/79/1179490379.db2.gz QNVMALWUWMYSFD-HNNXBMFYSA-N 2 0 333.451 2.421 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481070897 1179679586 /nfs/dbraw/zinc/67/95/86/1179679586.db2.gz JYYQTPBETVNWGH-FQEVSTJZSA-N 2 0 343.515 2.468 10 0 EEAERP COCCCC[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267729572 1180317271 /nfs/dbraw/zinc/31/72/71/1180317271.db2.gz BCBNFMZIMBCRSM-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC001481272005 1180582989 /nfs/dbraw/zinc/58/29/89/1180582989.db2.gz OBGNXSHLTIDIJA-RDJZCZTQSA-N 2 0 347.503 2.282 10 0 EEAERP COCC[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267915991 1180758614 /nfs/dbraw/zinc/75/86/14/1180758614.db2.gz MYDWHFGUWQGTSC-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001267924177 1180773824 /nfs/dbraw/zinc/77/38/24/1180773824.db2.gz FUBOLZYCSMXFGU-KZNAEPCWSA-N 2 0 339.499 2.485 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCc2cccs2)C1 ZINC001267970046 1180873809 /nfs/dbraw/zinc/87/38/09/1180873809.db2.gz OBTSKVFHYPCBLL-JKSUJKDBSA-N 2 0 335.517 2.213 10 0 EEAERP CC(C)N(CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1nccn1C ZINC001481357982 1181117270 /nfs/dbraw/zinc/11/72/70/1181117270.db2.gz NRHJYMLPKMJZFG-CALCHBBNSA-N 2 0 349.523 2.010 10 0 EEAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001481400765 1181215859 /nfs/dbraw/zinc/21/58/59/1181215859.db2.gz SVMLAGYCBYPPNH-MOPGFXCFSA-N 2 0 333.520 2.441 10 0 EEAERP CCCCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481491630 1181557918 /nfs/dbraw/zinc/55/79/18/1181557918.db2.gz PQFUARYSDHBEFY-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001268070810 1181668753 /nfs/dbraw/zinc/66/87/53/1181668753.db2.gz JSGTZJNBZIXNJX-WBVHZDCISA-N 2 0 330.476 2.382 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001268152475 1181846147 /nfs/dbraw/zinc/84/61/47/1181846147.db2.gz XOJMJUZJURBYSU-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]Cc1ccccn1)C12CC[NH+](CC1)C2 ZINC001268162755 1181879687 /nfs/dbraw/zinc/87/96/87/1181879687.db2.gz OKDZRZJZJUZQHZ-SFHVURJKSA-N 2 0 342.487 2.038 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccn2)C1 ZINC001268164653 1181890448 /nfs/dbraw/zinc/89/04/48/1181890448.db2.gz YEDDABWHWLFZJM-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C[NH2+]CCC(F)(F)F ZINC001268195394 1181989379 /nfs/dbraw/zinc/98/93/79/1181989379.db2.gz KIFDYNUWLMMPJC-KGLIPLIRSA-N 2 0 347.425 2.251 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)on1 ZINC001268272767 1182122401 /nfs/dbraw/zinc/12/24/01/1182122401.db2.gz VWXDSKVVVGRMPO-WMZOPIPTSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380706 1182409769 /nfs/dbraw/zinc/40/97/69/1182409769.db2.gz ZXCSHLFGFDRRES-AWEZNQCLSA-N 2 0 346.475 2.165 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268414811 1182571704 /nfs/dbraw/zinc/57/17/04/1182571704.db2.gz MPJPPHOCPGINMQ-WBVHZDCISA-N 2 0 342.487 2.494 10 0 EEAERP Cc1ccc(CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001268425249 1182597635 /nfs/dbraw/zinc/59/76/35/1182597635.db2.gz ZPTDMFIOTWAVBR-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cncs1 ZINC001481854586 1182813267 /nfs/dbraw/zinc/81/32/67/1182813267.db2.gz FFDCKJIEJLHAQC-GDBMZVCRSA-N 2 0 338.521 2.390 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001482055953 1183256153 /nfs/dbraw/zinc/25/61/53/1183256153.db2.gz QTBCTZITGWZJRC-MOPGFXCFSA-N 2 0 333.520 2.489 10 0 EEAERP CO[C@@H](C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001268579136 1183347980 /nfs/dbraw/zinc/34/79/80/1183347980.db2.gz ONXGKHAQPRFXNG-XSAZBNQGSA-N 2 0 345.487 2.120 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482130251 1183379709 /nfs/dbraw/zinc/37/97/09/1183379709.db2.gz ONRIKVABCGDIGB-HNNXBMFYSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001482136956 1183450198 /nfs/dbraw/zinc/45/01/98/1183450198.db2.gz ALTRBBALDCNQIX-KRWDZBQOSA-N 2 0 347.503 2.058 10 0 EEAERP Cc1ccccc1CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268624852 1183547807 /nfs/dbraw/zinc/54/78/07/1183547807.db2.gz HVORNTILYIZUTJ-ZMBJWTFHSA-N 2 0 329.488 2.141 10 0 EEAERP CN(CCC[NH2+]Cc1csc(C2CC2)n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268783398 1183700998 /nfs/dbraw/zinc/70/09/98/1183700998.db2.gz IQIYEWHNUHDWJD-HNNXBMFYSA-N 2 0 336.505 2.053 10 0 EEAERP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001268843128 1183761157 /nfs/dbraw/zinc/76/11/57/1183761157.db2.gz DMAACZQHBPOJRU-LAQIPUCWSA-N 2 0 330.476 2.240 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001268915491 1183823640 /nfs/dbraw/zinc/82/36/40/1183823640.db2.gz MTKWMBVHOQSTAS-INIZCTEOSA-N 2 0 327.419 2.243 10 0 EEAERP CCOCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001269714476 1184546543 /nfs/dbraw/zinc/54/65/43/1184546543.db2.gz XXHVMDBFNKXOTD-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269746527 1184586181 /nfs/dbraw/zinc/58/61/81/1184586181.db2.gz DUWIKMZVUKDPHN-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001269894808 1184700533 /nfs/dbraw/zinc/70/05/33/1184700533.db2.gz CMOHKLOEFUECFB-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284179 1185062378 /nfs/dbraw/zinc/06/23/78/1185062378.db2.gz VTSGWGUZBHSUHM-QGPMSJSTSA-N 2 0 349.523 2.049 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCOC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284679 1185063812 /nfs/dbraw/zinc/06/38/12/1185063812.db2.gz QIVGWVQDCNGORS-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001270788210 1185388669 /nfs/dbraw/zinc/38/86/69/1185388669.db2.gz HCYKESHKAICHIJ-HXUWFJFHSA-N 2 0 347.503 2.154 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001482497185 1186400365 /nfs/dbraw/zinc/40/03/65/1186400365.db2.gz CBDKNOROQCZIEW-UONOGXRCSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]C/C=C\Cl ZINC001271751716 1186460420 /nfs/dbraw/zinc/46/04/20/1186460420.db2.gz NTFBWDZGRUMMSI-XAHVKCOTSA-N 2 0 325.884 2.051 10 0 EEAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@@H]1CCOC1 ZINC001482545350 1186640350 /nfs/dbraw/zinc/64/03/50/1186640350.db2.gz PSXUMGCFYNTUJJ-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000291109728 1187626474 /nfs/dbraw/zinc/62/64/74/1187626474.db2.gz SOVWLHWNBQDTCR-BQFCYCMXSA-N 2 0 344.503 2.454 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(C2CC2)n1)NC(=O)C[NH+]1CCCC1 ZINC001482899219 1187811250 /nfs/dbraw/zinc/81/12/50/1187811250.db2.gz NDFQZHFMIBREOU-ZDUSSCGKSA-N 2 0 336.505 2.101 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001483009044 1187991001 /nfs/dbraw/zinc/99/10/01/1187991001.db2.gz BXFWQYRMBRLQTD-LIXSYLKWSA-N 2 0 329.488 2.364 10 0 EEAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)sn1 ZINC001483013305 1187997324 /nfs/dbraw/zinc/99/73/24/1187997324.db2.gz ZATVFVKALQCZEK-APHBUQMISA-N 2 0 336.505 2.086 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001483017770 1188004766 /nfs/dbraw/zinc/00/47/66/1188004766.db2.gz MGGLELRDPXMWNG-ONEGZZNKSA-N 2 0 333.451 2.402 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001483051027 1188294691 /nfs/dbraw/zinc/29/46/91/1188294691.db2.gz OWBGUMCVKLNHHZ-GFXSFYIYSA-N 2 0 329.488 2.487 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001483060552 1188354833 /nfs/dbraw/zinc/35/48/33/1188354833.db2.gz MIGPJXWNEPCNAQ-VGRIIWOTSA-N 2 0 333.451 2.415 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc(C)sc1C ZINC001483198216 1189083585 /nfs/dbraw/zinc/08/35/85/1189083585.db2.gz ZEJLYVKDBCLBCM-WBMJQRKESA-N 2 0 338.521 2.229 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348547 1189556548 /nfs/dbraw/zinc/55/65/48/1189556548.db2.gz DKYJGCNQJJXBHH-HOTGVXAUSA-N 2 0 332.492 2.247 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C2CCC2)ccc1C ZINC001409382021 1189605421 /nfs/dbraw/zinc/60/54/21/1189605421.db2.gz PKCMJJRYCMOUIN-HOTGVXAUSA-N 2 0 347.503 2.471 10 0 EEAERP CCc1cnc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001485884194 1193629248 /nfs/dbraw/zinc/62/92/48/1193629248.db2.gz BDLFYSYDOXRDKX-GJZGRUSLSA-N 2 0 336.480 2.048 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409419996 1189648836 /nfs/dbraw/zinc/64/88/36/1189648836.db2.gz LJTGMLNNPKCWIL-KGLIPLIRSA-N 2 0 335.879 2.419 10 0 EEAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCOCC1)[NH+]1CCCCCC1 ZINC001409649710 1190143625 /nfs/dbraw/zinc/14/36/25/1190143625.db2.gz WZUVOZBZNKGYIQ-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001483278014 1190301351 /nfs/dbraw/zinc/30/13/51/1190301351.db2.gz OTFQJVSWAQJYNV-KRWDZBQOSA-N 2 0 347.503 2.009 10 0 EEAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCCN1C1CCCC1 ZINC001483376164 1190417522 /nfs/dbraw/zinc/41/75/22/1190417522.db2.gz DJHUTMCBOWWHNT-FUHWJXTLSA-N 2 0 337.508 2.033 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001483407331 1190453255 /nfs/dbraw/zinc/45/32/55/1190453255.db2.gz LMLKYEYHSUSCAA-HNNXBMFYSA-N 2 0 333.451 2.166 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCOCC1 ZINC001483422020 1190470504 /nfs/dbraw/zinc/47/05/04/1190470504.db2.gz UDSBOBYJRRQMAE-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483469960 1190491799 /nfs/dbraw/zinc/49/17/99/1190491799.db2.gz FKZTXDAISBGRKW-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP CCc1ccccc1C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001483504159 1190519727 /nfs/dbraw/zinc/51/97/27/1190519727.db2.gz HGXYEZFHXNMHOM-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001483570832 1190560017 /nfs/dbraw/zinc/56/00/17/1190560017.db2.gz NQKTURDLIBRPKA-WMLDXEAASA-N 2 0 332.423 2.489 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)C23CCC[NH+]2CCC3)C2CC2)sn1 ZINC001483571825 1190560257 /nfs/dbraw/zinc/56/02/57/1190560257.db2.gz IASUJARTDGKIBZ-INIZCTEOSA-N 2 0 348.516 2.064 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483599639 1190579457 /nfs/dbraw/zinc/57/94/57/1190579457.db2.gz VSITYARWPHFYAT-CRAIPNDOSA-N 2 0 333.451 2.152 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001483694286 1190769280 /nfs/dbraw/zinc/76/92/80/1190769280.db2.gz VGWVNTHLZJFKFG-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001272534202 1190870069 /nfs/dbraw/zinc/87/00/69/1190870069.db2.gz NICBJTHZYQWEKC-AEFFLSMTSA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740938 1190890464 /nfs/dbraw/zinc/89/04/64/1190890464.db2.gz XKCZLENTNKVANL-GOEBONIOSA-N 2 0 325.472 2.380 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC001483794558 1191033925 /nfs/dbraw/zinc/03/39/25/1191033925.db2.gz INODZHYHCMRLOK-LBPRGKRZSA-N 2 0 336.307 2.149 10 0 EEAERP CCc1noc(C)c1C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001483794990 1191034436 /nfs/dbraw/zinc/03/44/36/1191034436.db2.gz ZLVPKPDFSGOFQJ-ZIAGYGMSSA-N 2 0 348.491 2.157 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1)C12CC[NH+](CC1)C2 ZINC001483782646 1191035701 /nfs/dbraw/zinc/03/57/01/1191035701.db2.gz CSTINIYYGVHFJA-CQSZACIVSA-N 2 0 341.446 2.146 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001483836767 1191087397 /nfs/dbraw/zinc/08/73/97/1191087397.db2.gz KYUMRMKATCDPBZ-UHFFFAOYSA-N 2 0 335.414 2.205 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C[C@@H]1C ZINC001483915581 1191115097 /nfs/dbraw/zinc/11/50/97/1191115097.db2.gz YCUFYLONBSEKLZ-GOEBONIOSA-N 2 0 348.491 2.361 10 0 EEAERP COCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)cc1 ZINC001483907398 1191120076 /nfs/dbraw/zinc/12/00/76/1191120076.db2.gz BATIBAMVZBRFHN-QFBILLFUSA-N 2 0 347.503 2.254 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001483911994 1191121789 /nfs/dbraw/zinc/12/17/89/1191121789.db2.gz MNBSKOPYYSXBTO-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001483974210 1191137713 /nfs/dbraw/zinc/13/77/13/1191137713.db2.gz VOEVJNTVJOXDGK-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CCOc2ccccc2)CC1 ZINC001483976188 1191138331 /nfs/dbraw/zinc/13/83/31/1191138331.db2.gz GOOOBCOIPDLRQN-UHFFFAOYSA-N 2 0 347.503 2.376 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CCCF)C2)CC[N@@H+]1C ZINC001484160254 1191248659 /nfs/dbraw/zinc/24/86/59/1191248659.db2.gz DDGMNVXWDAEKLQ-LZLYRXPVSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001484354506 1191316001 /nfs/dbraw/zinc/31/60/01/1191316001.db2.gz ZEKLJBDGSKJOIU-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC[C@@H]3CCCC3(F)F)CCC2)C1 ZINC001484662434 1191462600 /nfs/dbraw/zinc/46/26/00/1191462600.db2.gz GQNAEDWDBWIGSO-CABCVRRESA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)CCO1 ZINC001484680523 1191465031 /nfs/dbraw/zinc/46/50/31/1191465031.db2.gz NNBQXDXBCUHDQZ-INIZCTEOSA-N 2 0 344.459 2.430 10 0 EEAERP CC(C)(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484689040 1191471757 /nfs/dbraw/zinc/47/17/57/1191471757.db2.gz QUKJZMKHWXSFNJ-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC1([NH2+]Cc2oc(C)nc2C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819902 1191539498 /nfs/dbraw/zinc/53/94/98/1191539498.db2.gz YGOMWVYHYPRKHU-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCOC)C2)C1)[NH+](CC)CC ZINC001484832198 1191545907 /nfs/dbraw/zinc/54/59/07/1191545907.db2.gz SKBMVFJBFDZVID-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCc2ccccc2)C1 ZINC001485069272 1191636857 /nfs/dbraw/zinc/63/68/57/1191636857.db2.gz LJVIILOMURGWGF-QUCCMNQESA-N 2 0 343.515 2.494 10 0 EEAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001485108304 1191657142 /nfs/dbraw/zinc/65/71/42/1191657142.db2.gz LKPIVJFHEXWWJG-CTWPCTMYSA-N 2 0 331.504 2.300 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485196817 1191682223 /nfs/dbraw/zinc/68/22/23/1191682223.db2.gz YGWUTEZFPKDMQW-ZIAGYGMSSA-N 2 0 338.471 2.181 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485229630 1191698728 /nfs/dbraw/zinc/69/87/28/1191698728.db2.gz KKDHXYNGUZOICS-HUUCEWRRSA-N 2 0 336.455 2.080 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001485261678 1191709424 /nfs/dbraw/zinc/70/94/24/1191709424.db2.gz FRKLBANJPPUTOK-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP COCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001485456351 1191792193 /nfs/dbraw/zinc/79/21/93/1191792193.db2.gz PYPJDVXRVRWDAO-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC001485476961 1191804891 /nfs/dbraw/zinc/80/48/91/1191804891.db2.gz PAOBFCMBCPZNOE-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1ccccn1)CC2 ZINC001486153095 1193703601 /nfs/dbraw/zinc/70/36/01/1193703601.db2.gz BIXNIBLIRJAPHM-IEBWSBKVSA-N 2 0 330.476 2.035 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001486211145 1193751610 /nfs/dbraw/zinc/75/16/10/1193751610.db2.gz SXQBQIWSWKLJLD-DOTOQJQBSA-N 2 0 335.467 2.460 10 0 EEAERP CC(C)=CC[NH2+]C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(C)(C)C ZINC001486396393 1193896330 /nfs/dbraw/zinc/89/63/30/1193896330.db2.gz BUWGORMOQUVYPV-KRWDZBQOSA-N 2 0 349.523 2.145 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001486422853 1193936669 /nfs/dbraw/zinc/93/66/69/1193936669.db2.gz HRWPBUQCMTWUJN-ZFWWWQNUSA-N 2 0 338.521 2.024 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](Cc2cnccc2C)CC1)[NH+](C)C ZINC001486440807 1193968605 /nfs/dbraw/zinc/96/86/05/1193968605.db2.gz BESYWXIYHZFIHF-VQIMIIECSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](Cc3ccsc3)CC2)C1 ZINC001486515264 1194034745 /nfs/dbraw/zinc/03/47/45/1194034745.db2.gz FSLMHWJQFWGKQP-HNNXBMFYSA-N 2 0 333.501 2.338 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001273002471 1194309441 /nfs/dbraw/zinc/30/94/41/1194309441.db2.gz VRNVAALCUMBZOM-KBXCAEBGSA-N 2 0 346.475 2.398 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)co1 ZINC001273053699 1194358310 /nfs/dbraw/zinc/35/83/10/1194358310.db2.gz ZUIBWDRINPRCNP-CABCVRRESA-N 2 0 336.480 2.232 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001671280841 1194690413 /nfs/dbraw/zinc/69/04/13/1194690413.db2.gz IAVQIBDPGRHPJE-PMACEKPBSA-N 2 0 343.515 2.466 10 0 EEAERP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001414706580 1197206987 /nfs/dbraw/zinc/20/69/87/1197206987.db2.gz YKHGLRIRGZZWSB-ROUUACIJSA-N 2 0 336.524 2.377 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C1 ZINC001410198064 1197598866 /nfs/dbraw/zinc/59/88/66/1197598866.db2.gz XMHQXJVHRNNKNK-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001410256039 1197639389 /nfs/dbraw/zinc/63/93/89/1197639389.db2.gz XPHLQSGBUZADPT-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001410412560 1197828800 /nfs/dbraw/zinc/82/88/00/1197828800.db2.gz GUGSPSKROTYCCN-HUUCEWRRSA-N 2 0 343.462 2.487 10 0 EEAERP COc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001410486257 1198038968 /nfs/dbraw/zinc/03/89/68/1198038968.db2.gz HWHUAWRTYBDBLT-AEFFLSMTSA-N 2 0 347.503 2.016 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001410493203 1198047331 /nfs/dbraw/zinc/04/73/31/1198047331.db2.gz AJOXHKQYEACSCP-ZDUSSCGKSA-N 2 0 327.419 2.242 10 0 EEAERP C[C@]1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C[NH2+]CCO1 ZINC000872173870 1198070441 /nfs/dbraw/zinc/07/04/41/1198070441.db2.gz ZVQNREGIFRQYCV-GOSISDBHSA-N 2 0 328.416 2.167 10 0 EEAERP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254843 1198114095 /nfs/dbraw/zinc/11/40/95/1198114095.db2.gz DNAPSLQPEPKTCG-XCRHUMRWSA-N 2 0 341.411 2.108 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000865246516 1198139441 /nfs/dbraw/zinc/13/94/41/1198139441.db2.gz JAWGOQCTNYGGAP-INIZCTEOSA-N 2 0 338.565 2.296 10 0 EEAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865410699 1198202767 /nfs/dbraw/zinc/20/27/67/1198202767.db2.gz FFYOBVWWEAHMTQ-UHFFFAOYSA-N 2 0 330.451 2.490 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001410909213 1198574859 /nfs/dbraw/zinc/57/48/59/1198574859.db2.gz CUGWXVMXKOAWME-QQPXOWJZSA-N 2 0 337.895 2.051 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001410920806 1198578943 /nfs/dbraw/zinc/57/89/43/1198578943.db2.gz KQJBQTMVHBVSHU-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001411223259 1198933163 /nfs/dbraw/zinc/93/31/63/1198933163.db2.gz XLORHUGLZRUESB-ZWKOTPCHSA-N 2 0 346.519 2.495 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC001411254240 1198979190 /nfs/dbraw/zinc/97/91/90/1198979190.db2.gz HQRQMSYJDVRLJE-UHFFFAOYSA-N 2 0 344.503 2.284 10 0 EEAERP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001411259575 1198993684 /nfs/dbraw/zinc/99/36/84/1198993684.db2.gz HXYSSXZWGPXLIR-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccsc1[C@H]1C[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020334 1200410720 /nfs/dbraw/zinc/41/07/20/1200410720.db2.gz MNDDUEPRYAVFIY-WCXIOVBPSA-N 2 0 349.544 2.358 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)C[C@H]1C[NH+](C)C ZINC000870023629 1200413307 /nfs/dbraw/zinc/41/33/07/1200413307.db2.gz FWYLXJCJOOHRCJ-ZIAGYGMSSA-N 2 0 346.450 2.118 10 0 EEAERP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870937803 1200966816 /nfs/dbraw/zinc/96/68/16/1200966816.db2.gz BBMSHLCMHVUUOC-STQMWFEESA-N 2 0 328.254 2.083 10 0 EEAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866703227 1201584161 /nfs/dbraw/zinc/58/41/61/1201584161.db2.gz GTMPDXOXKNXUMY-LJQANCHMSA-N 2 0 347.459 2.441 10 0 EEAERP C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCCO1 ZINC000868180171 1201758639 /nfs/dbraw/zinc/75/86/39/1201758639.db2.gz LHPWKMVTUSOKBZ-JCGIZDLHSA-N 2 0 346.475 2.124 10 0 EEAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000868187204 1201759965 /nfs/dbraw/zinc/75/99/65/1201759965.db2.gz GTHLFJMGUDJAAP-ZWKOTPCHSA-N 2 0 328.460 2.497 10 0 EEAERP COCCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886525146 1202518361 /nfs/dbraw/zinc/51/83/61/1202518361.db2.gz YJWYSIZMJQQCNO-BQJUDKOJSA-N 2 0 343.515 2.350 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC001274280185 1204984371 /nfs/dbraw/zinc/98/43/71/1204984371.db2.gz KSNOCPCESLDIHS-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccnc1C ZINC001274608684 1205095556 /nfs/dbraw/zinc/09/55/56/1205095556.db2.gz HCIVVVDROUDSCV-OOFWQKGWSA-N 2 0 330.476 2.026 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275203012 1205280098 /nfs/dbraw/zinc/28/00/98/1205280098.db2.gz NYMONODSTGJSLD-KRWDZBQOSA-N 2 0 329.488 2.199 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001411887685 1205580432 /nfs/dbraw/zinc/58/04/32/1205580432.db2.gz QJPKLMOZYLRHNE-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CC3)C3CCOCC3)ccn2)CC1 ZINC000924692157 1206019220 /nfs/dbraw/zinc/01/92/20/1206019220.db2.gz ZYELZHAFZGXBGI-FQEVSTJZSA-N 2 0 344.503 2.128 10 0 EEAERP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000924920406 1206051445 /nfs/dbraw/zinc/05/14/45/1206051445.db2.gz NQTWHFZLZIEFAQ-RTBURBONSA-N 2 0 347.503 2.129 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)N2CCOCC2)o1 ZINC000925522554 1206122973 /nfs/dbraw/zinc/12/29/73/1206122973.db2.gz HCYGEFXQPXKMJD-ZACQAIPSSA-N 2 0 335.492 2.457 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925539409 1206124762 /nfs/dbraw/zinc/12/47/62/1206124762.db2.gz WIUFRXIMOGUZSQ-GUDVDZBRSA-N 2 0 348.487 2.495 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000925563729 1206128729 /nfs/dbraw/zinc/12/87/29/1206128729.db2.gz FBTUKKLIESUMHA-QZTJIDSGSA-N 2 0 345.487 2.155 10 0 EEAERP CCc1cc(N2CCC[C@H]([NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)ncn1 ZINC000925619825 1206136545 /nfs/dbraw/zinc/13/65/45/1206136545.db2.gz BPQFJQSJNMAFOO-NBMJBFSESA-N 2 0 343.519 2.374 10 0 EEAERP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925782824 1206153422 /nfs/dbraw/zinc/15/34/22/1206153422.db2.gz HWBPQKAPBFPHBG-IIDMSEBBSA-N 2 0 343.471 2.429 10 0 EEAERP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)CCC2 ZINC000925813422 1206156858 /nfs/dbraw/zinc/15/68/58/1206156858.db2.gz VLXCKSRWUWONMF-HNNXBMFYSA-N 2 0 349.475 2.155 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1nc2ccc(Cl)cc2n1C ZINC000925814445 1206156955 /nfs/dbraw/zinc/15/69/55/1206156955.db2.gz JMGIAYBBUDRJJI-LBPRGKRZSA-N 2 0 335.883 2.300 10 0 EEAERP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000925838112 1206158632 /nfs/dbraw/zinc/15/86/32/1206158632.db2.gz KOAMGFBFQVAHHZ-YESZJQIVSA-N 2 0 329.444 2.425 10 0 EEAERP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844434 1206159488 /nfs/dbraw/zinc/15/94/88/1206159488.db2.gz KSGNEFHOBNLXEN-FPOVZHCZSA-N 2 0 344.547 2.487 10 0 EEAERP COC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000925846863 1206159779 /nfs/dbraw/zinc/15/97/79/1206159779.db2.gz YCHQUVHVUPSMEU-SFHVURJKSA-N 2 0 341.446 2.317 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000925849461 1206160499 /nfs/dbraw/zinc/16/04/99/1206160499.db2.gz JHDZWZDEYBVSSL-NXHRZFHOSA-N 2 0 343.471 2.383 10 0 EEAERP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850688 1206160540 /nfs/dbraw/zinc/16/05/40/1206160540.db2.gz PEWRUDNIVXVCPX-PBHICJAKSA-N 2 0 344.455 2.348 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOC1CCOCC1 ZINC000925878778 1206163440 /nfs/dbraw/zinc/16/34/40/1206163440.db2.gz ZMIROZLJFIQLPJ-PKOBYXMFSA-N 2 0 332.444 2.028 10 0 EEAERP CCN(C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC[N@H+](CC)C1 ZINC000925919575 1206168318 /nfs/dbraw/zinc/16/83/18/1206168318.db2.gz HEKRHZBCWJUMOE-MSOLQXFVSA-N 2 0 347.507 2.200 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000926029828 1206183509 /nfs/dbraw/zinc/18/35/09/1206183509.db2.gz BCSJIVUUAQTEKI-CABCVRRESA-N 2 0 334.464 2.266 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000928829043 1206425192 /nfs/dbraw/zinc/42/51/92/1206425192.db2.gz SWZLXPISOMKHCY-ZWKOTPCHSA-N 2 0 332.492 2.313 10 0 EEAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC[C@H](O)c3ccccc3)C2)C1 ZINC000930575983 1206567978 /nfs/dbraw/zinc/56/79/78/1206567978.db2.gz GFDRMVUOJKRAEO-UFYCRDLUSA-N 2 0 332.488 2.279 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4CCC5(COC5)O4)C[C@H]3C2)cc1 ZINC000931746525 1207455190 /nfs/dbraw/zinc/45/51/90/1207455190.db2.gz FZGNDFBXDHSZJR-ZCNNSNEGSA-N 2 0 342.483 2.388 10 0 EEAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001412811296 1208470845 /nfs/dbraw/zinc/47/08/45/1208470845.db2.gz YVDDYHASWKZGRZ-XHSDSOJGSA-N 2 0 325.472 2.190 10 0 EEAERP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001490848290 1209676282 /nfs/dbraw/zinc/67/62/82/1209676282.db2.gz CLUURJFYVNQLBJ-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1COC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717952030 1211664626 /nfs/dbraw/zinc/66/46/26/1211664626.db2.gz VJFVGSYPXSUFEY-MOPGFXCFSA-N 2 0 332.488 2.418 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493212943 1232906831 /nfs/dbraw/zinc/90/68/31/1232906831.db2.gz QDYLHYXNSICUAJ-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000901157430 1235292800 /nfs/dbraw/zinc/29/28/00/1235292800.db2.gz NZJAGHATXQLKIP-JFRXWTBNSA-N 2 0 331.504 2.479 10 0 EEAERP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC000901308421 1235521329 /nfs/dbraw/zinc/52/13/29/1235521329.db2.gz XOSITVJVKYUECN-UHFFFAOYSA-N 2 0 342.487 2.242 10 0 EEAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CC(C)C)C2CCOCC2)CC1 ZINC000902747206 1238383758 /nfs/dbraw/zinc/38/37/58/1238383758.db2.gz RNODOTSZJUHJOH-HKUYNNGSSA-N 2 0 325.541 2.443 10 0 EEAERP CCCn1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000903047370 1239615409 /nfs/dbraw/zinc/61/54/09/1239615409.db2.gz MJKXWKOQGJOFJV-OAHLLOKOSA-N 2 0 335.496 2.230 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485089 1240620029 /nfs/dbraw/zinc/62/00/29/1240620029.db2.gz HVPHSEIMGUSZKN-KRWDZBQOSA-N 2 0 341.455 2.327 10 0 EEAERP c1cc2c(cc1[C@H]([NH2+]C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C1CC1)OCCO2 ZINC000903757632 1241853928 /nfs/dbraw/zinc/85/39/28/1241853928.db2.gz FKTBXBMBVISCOB-AHRSYUTCSA-N 2 0 344.455 2.267 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CCc1cc2ccccc2o1 ZINC000903919621 1242493163 /nfs/dbraw/zinc/49/31/63/1242493163.db2.gz FJOBOANZVYBMGI-HNNXBMFYSA-N 2 0 325.416 2.281 10 0 EEAERP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903923442 1242516316 /nfs/dbraw/zinc/51/63/16/1242516316.db2.gz UNJMYEFXZXXPFF-JSGCOSHPSA-N 2 0 334.439 2.344 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cnn1C ZINC000903924910 1242518626 /nfs/dbraw/zinc/51/86/26/1242518626.db2.gz JZXMYHRQPSCSSP-LJQANCHMSA-N 3 0 349.567 2.194 10 0 EEAERP C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903930024 1242542077 /nfs/dbraw/zinc/54/20/77/1242542077.db2.gz QIGSIBDGQFUBKN-WMLDXEAASA-N 2 0 331.439 2.405 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000903937737 1242586701 /nfs/dbraw/zinc/58/67/01/1242586701.db2.gz QMHHOBBTQWJZBU-FXAWDEMLSA-N 2 0 337.471 2.293 10 0 EEAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958382 1242724542 /nfs/dbraw/zinc/72/45/42/1242724542.db2.gz ZCQYFIDAYBENAQ-IJLUTSLNSA-N 2 0 340.361 2.188 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2c(c1)OCCCO2 ZINC000151832208 1253744172 /nfs/dbraw/zinc/74/41/72/1253744172.db2.gz FLTVAWWIYNTEHX-HNNXBMFYSA-N 2 0 334.460 2.203 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001491030142 1258587538 /nfs/dbraw/zinc/58/75/38/1258587538.db2.gz QKCHZVFWOMIHCG-KSZLIROESA-N 2 0 345.487 2.095 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1CCC2(CC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001495606098 1258722258 /nfs/dbraw/zinc/72/22/58/1258722258.db2.gz NSARBJKYVHUZQC-INIZCTEOSA-N 2 0 327.488 2.389 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001491362033 1259000610 /nfs/dbraw/zinc/00/06/10/1259000610.db2.gz VHUDJYUOTPENNJ-UHFFFAOYSA-N 2 0 333.476 2.034 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001266711278 1276583905 /nfs/dbraw/zinc/58/39/05/1276583905.db2.gz RJUXCJRFISBKRL-IYBDPMFKSA-N 2 0 337.895 2.461 10 0 EEAERP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001273772583 1285356080 /nfs/dbraw/zinc/35/60/80/1285356080.db2.gz ZWXDVTYJOBLXQL-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CCCOCC)C2)C1 ZINC001273848358 1286754251 /nfs/dbraw/zinc/75/42/51/1286754251.db2.gz INAUSUWTNSDWLR-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001490455079 1291392152 /nfs/dbraw/zinc/39/21/52/1291392152.db2.gz PVJSMRZLIPOTHT-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000851786938 1291832937 /nfs/dbraw/zinc/83/29/37/1291832937.db2.gz IUIQKSIPAJGWPH-HUUCEWRRSA-N 2 0 336.413 2.377 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732075 1292179404 /nfs/dbraw/zinc/17/94/04/1292179404.db2.gz QGVXIFPPOSEXOQ-SQNIBIBYSA-N 2 0 340.895 2.444 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)nc3C)C2)ccn1 ZINC000856552078 1293563781 /nfs/dbraw/zinc/56/37/81/1293563781.db2.gz GRGYNUUVXGOJAC-LJQANCHMSA-N 2 0 343.475 2.229 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856605266 1293579704 /nfs/dbraw/zinc/57/97/04/1293579704.db2.gz AFHSUJYOLKXVAZ-QUCCMNQESA-N 2 0 346.519 2.469 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001491119388 1299609507 /nfs/dbraw/zinc/60/95/07/1299609507.db2.gz DSFHMTMJRFTBGM-HNNXBMFYSA-N 2 0 344.459 2.108 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001277027396 1300938746 /nfs/dbraw/zinc/93/87/46/1300938746.db2.gz UZCSOCBRXYFRHU-GUDVDZBRSA-N 2 0 329.488 2.116 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC001277218745 1301881849 /nfs/dbraw/zinc/88/18/49/1301881849.db2.gz SZKIPDXUVLSNJL-SUMWQHHRSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ccc(CCC[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001277246374 1301988700 /nfs/dbraw/zinc/98/87/00/1301988700.db2.gz XMNMGZYKTMJEDY-SFHVURJKSA-N 2 0 329.488 2.118 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001491561507 1304681537 /nfs/dbraw/zinc/68/15/37/1304681537.db2.gz XOCAYVYNHATNDX-ZOBUZTSGSA-N 2 0 345.487 2.041 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841898568 1315632553 /nfs/dbraw/zinc/63/25/53/1315632553.db2.gz NWHZCNCRZIUTLL-KPFFTGBYSA-N 2 0 344.503 2.196 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001278571371 1317258360 /nfs/dbraw/zinc/25/83/60/1317258360.db2.gz FSGRVXDWNVNKEM-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001264191386 1322658738 /nfs/dbraw/zinc/65/87/38/1322658738.db2.gz NASACXWEOOLMLF-UHFFFAOYSA-N 2 0 338.521 2.258 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001264467568 1322706049 /nfs/dbraw/zinc/70/60/49/1322706049.db2.gz MLAKLVBJDUHVIW-GVDBMIGSSA-N 2 0 327.488 2.485 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCCCCF ZINC001264608946 1322750064 /nfs/dbraw/zinc/75/00/64/1322750064.db2.gz VBKJPUBOKHTHFU-OKZBNKHCSA-N 2 0 339.499 2.437 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001264678091 1322779781 /nfs/dbraw/zinc/77/97/81/1322779781.db2.gz OVZCFHSSXLNTCV-HOTGVXAUSA-N 2 0 333.467 2.387 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(F)cc(F)c1 ZINC001265000910 1322848143 /nfs/dbraw/zinc/84/81/43/1322848143.db2.gz HZFNYTPVSCEJKZ-QGZVFWFLSA-N 2 0 339.430 2.387 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cnccc1C ZINC001265128273 1322935031 /nfs/dbraw/zinc/93/50/31/1322935031.db2.gz SNZILXNEFOQLMQ-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001265422175 1323148082 /nfs/dbraw/zinc/14/80/82/1323148082.db2.gz CWLZOZDYMMQTIH-XYCCBJPKSA-N 2 0 327.472 2.375 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001265459905 1323167157 /nfs/dbraw/zinc/16/71/57/1323167157.db2.gz QXWAQWOKJMTEAJ-IBGZPJMESA-N 2 0 331.504 2.458 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001266012947 1323564867 /nfs/dbraw/zinc/56/48/67/1323564867.db2.gz NYJUIDIIIXEPLJ-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001266156203 1323724930 /nfs/dbraw/zinc/72/49/30/1323724930.db2.gz WRIXPGSZOVQZIM-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001279150570 1323841005 /nfs/dbraw/zinc/84/10/05/1323841005.db2.gz VVAIILRGSMKOGN-LPHOPBHVSA-N 2 0 331.504 2.498 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2csc(C)n2)C1 ZINC001280251413 1324128745 /nfs/dbraw/zinc/12/87/45/1324128745.db2.gz LAPDXIIPPFLDGG-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP CC[C@H](F)C[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001280394201 1324197386 /nfs/dbraw/zinc/19/73/86/1324197386.db2.gz DVBZQDAWKMTKFG-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CC(C)(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001280680156 1324404888 /nfs/dbraw/zinc/40/48/88/1324404888.db2.gz GTKSADMDNWSMKL-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21)[NH+](C)C ZINC001282872914 1325816521 /nfs/dbraw/zinc/81/65/21/1325816521.db2.gz ZRFHMJRWOWUMMF-APIJFGDWSA-N 2 0 349.441 2.353 10 0 EEAERP COCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001283997911 1326355750 /nfs/dbraw/zinc/35/57/50/1326355750.db2.gz DYRNSMFOFSXANQ-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284003765 1326358537 /nfs/dbraw/zinc/35/85/37/1326358537.db2.gz LXTKLMVAYSCVFJ-QZTJIDSGSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001284094703 1326403829 /nfs/dbraw/zinc/40/38/29/1326403829.db2.gz ANUMIISXERATTE-RCCFBDPRSA-N 2 0 331.504 2.265 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001284199688 1326457449 /nfs/dbraw/zinc/45/74/49/1326457449.db2.gz XSFVCXBCYQCYPM-DNWYELSFSA-N 2 0 327.900 2.488 10 0 EEAERP CCOCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001284553451 1326608425 /nfs/dbraw/zinc/60/84/25/1326608425.db2.gz LZFQDHHWCZGAEC-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001284651911 1326646744 /nfs/dbraw/zinc/64/67/44/1326646744.db2.gz COURZQRUQHSXNH-IAGOWNOFSA-N 2 0 339.524 2.041 10 0 EEAERP C[N@H+](CC(=O)NCC1=CC[NH+](CCC2CCOCC2)CC1)C1CCC1 ZINC001284927385 1326779126 /nfs/dbraw/zinc/77/91/26/1326779126.db2.gz CRIRWYQSBXQQKN-UHFFFAOYSA-N 2 0 349.519 2.036 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001491632908 1330191085 /nfs/dbraw/zinc/19/10/85/1330191085.db2.gz UVYWRPCGGLOJDM-PXAZEXFGSA-N 2 0 339.430 2.388 10 0 EEAERP CC[C@H](C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001491943955 1330334619 /nfs/dbraw/zinc/33/46/19/1330334619.db2.gz PUXAATRNYKSEHE-IAGOWNOFSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001492046466 1330420165 /nfs/dbraw/zinc/42/01/65/1330420165.db2.gz LLWASYDPLPIQAG-LBPRGKRZSA-N 2 0 341.415 2.237 10 0 EEAERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(F)(F)C1 ZINC001492037327 1330461072 /nfs/dbraw/zinc/46/10/72/1330461072.db2.gz RVJIQICWZODEPT-HIFRSBDPSA-N 2 0 331.451 2.391 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC001492178770 1331057587 /nfs/dbraw/zinc/05/75/87/1331057587.db2.gz RCBIVZOMCCYCKR-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)on1 ZINC001316855003 1331477857 /nfs/dbraw/zinc/47/78/57/1331477857.db2.gz QRAJUUZOCYONQY-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP C[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CC(F)(F)C1 ZINC001316829784 1331920130 /nfs/dbraw/zinc/92/01/30/1331920130.db2.gz XGVZGLHKPDQWLE-HNNXBMFYSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC1CC1 ZINC001316848820 1331932437 /nfs/dbraw/zinc/93/24/37/1331932437.db2.gz DMQIIBRCJTZGLS-MOPGFXCFSA-N 2 0 329.488 2.180 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001316995283 1332036024 /nfs/dbraw/zinc/03/60/24/1332036024.db2.gz OVJQAKRYCBYHDD-PKOBYXMFSA-N 2 0 349.519 2.036 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001317109947 1332083542 /nfs/dbraw/zinc/08/35/42/1332083542.db2.gz SILAJVVFWXAHJK-HSALFYBXSA-N 2 0 341.499 2.198 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001317193725 1332124532 /nfs/dbraw/zinc/12/45/32/1332124532.db2.gz MQYSNELTDSZPBK-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001317344708 1332188267 /nfs/dbraw/zinc/18/82/67/1332188267.db2.gz UFTINSRGHJQUIK-JKSUJKDBSA-N 2 0 336.480 2.214 10 0 EEAERP COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317363588 1332196408 /nfs/dbraw/zinc/19/64/08/1332196408.db2.gz NFZHZQRFXPEMMT-MOPGFXCFSA-N 2 0 347.503 2.415 10 0 EEAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001317403222 1332216127 /nfs/dbraw/zinc/21/61/27/1332216127.db2.gz SYPZMEOPQIIXLS-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001317596724 1332317108 /nfs/dbraw/zinc/31/71/08/1332317108.db2.gz LVBZPQWAVDOYTO-KRWDZBQOSA-N 2 0 333.476 2.118 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)C1CC[NH+](C)CC1 ZINC001317630610 1332337109 /nfs/dbraw/zinc/33/71/09/1332337109.db2.gz HFORVLJMNJLOES-UHFFFAOYSA-N 2 0 341.858 2.369 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccnn1C ZINC001317708480 1332381862 /nfs/dbraw/zinc/38/18/62/1332381862.db2.gz CNHHPGXBXLBRLC-IAGOWNOFSA-N 2 0 349.523 2.010 10 0 EEAERP Cc1cncc(C[N@@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C(C)C)c1 ZINC001317708587 1332381869 /nfs/dbraw/zinc/38/18/69/1332381869.db2.gz INPUWEBKFUOCRF-SFHVURJKSA-N 2 0 332.492 2.058 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOCCC(C)C)C1 ZINC001318460301 1332542178 /nfs/dbraw/zinc/54/21/78/1332542178.db2.gz XUYQPXJXXMJAPR-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOc1c(C)cccc1C ZINC001318601565 1332566078 /nfs/dbraw/zinc/56/60/78/1332566078.db2.gz ABRRXROJKVYZRX-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001318780863 1332595083 /nfs/dbraw/zinc/59/50/83/1332595083.db2.gz LKUDUTOFXGFTLA-DOTOQJQBSA-N 2 0 348.491 2.050 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001319106501 1332650445 /nfs/dbraw/zinc/65/04/45/1332650445.db2.gz JSBACKRGEPLRPU-LJQANCHMSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001319522397 1332715504 /nfs/dbraw/zinc/71/55/04/1332715504.db2.gz DCDDKFGQJVULQA-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001319762171 1332760804 /nfs/dbraw/zinc/76/08/04/1332760804.db2.gz CWHHIUQUHRPXRM-HOTGVXAUSA-N 2 0 344.459 2.344 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001320446520 1332885543 /nfs/dbraw/zinc/88/55/43/1332885543.db2.gz MZAKDIYQINIPAX-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001320463201 1332889262 /nfs/dbraw/zinc/88/92/62/1332889262.db2.gz FFESSHIOGBYGNL-YJBOKZPZSA-N 2 0 333.476 2.164 10 0 EEAERP CCc1onc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001320475143 1332892690 /nfs/dbraw/zinc/89/26/90/1332892690.db2.gz DWKTWNQNOPYFFN-CQSZACIVSA-N 2 0 348.491 2.158 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)C1CC[NH+](C)CC1 ZINC001320831383 1332961615 /nfs/dbraw/zinc/96/16/15/1332961615.db2.gz YHEQFPGOUIBVCH-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CC(C)(C[NH+]1CCOCC1)C(=O)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001321108645 1333021325 /nfs/dbraw/zinc/02/13/25/1333021325.db2.gz GADGFYFBFGURCK-SREVYHEPSA-N 2 0 349.519 2.107 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2cncs2)CC1 ZINC001321315579 1333072295 /nfs/dbraw/zinc/07/22/95/1333072295.db2.gz PBZOPSSZXHHKMN-ONEGZZNKSA-N 2 0 336.505 2.026 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001321600090 1333131062 /nfs/dbraw/zinc/13/10/62/1333131062.db2.gz PSIVXHKJQXUIPV-IAGOWNOFSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001322667873 1333304093 /nfs/dbraw/zinc/30/40/93/1333304093.db2.gz KSOIZJDCKRPHFK-CQSZACIVSA-N 2 0 331.451 2.202 10 0 EEAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1CC ZINC001323141272 1333394873 /nfs/dbraw/zinc/39/48/73/1333394873.db2.gz ASUBCYXLCQOXNG-IRXDYDNUSA-N 2 0 349.523 2.075 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326419339 1334089644 /nfs/dbraw/zinc/08/96/44/1334089644.db2.gz PKRZVDKXRQEECL-INIZCTEOSA-N 2 0 335.467 2.496 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001326436916 1334093623 /nfs/dbraw/zinc/09/36/23/1334093623.db2.gz HGYKJVKWRAHKGZ-KRWDZBQOSA-N 2 0 347.503 2.364 10 0 EEAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326989740 1334197975 /nfs/dbraw/zinc/19/79/75/1334197975.db2.gz VUBOJVFEOCKRDR-QZTJIDSGSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CCc3cccs3)C2)CC1 ZINC001328905566 1334544905 /nfs/dbraw/zinc/54/49/05/1334544905.db2.gz SGVLQFBSUCEKKZ-UHFFFAOYSA-N 2 0 335.517 2.117 10 0 EEAERP COc1cc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)ccc1C ZINC001330771284 1334899811 /nfs/dbraw/zinc/89/98/11/1334899811.db2.gz ZSLMCRJQUQNZLJ-FUHWJXTLSA-N 2 0 347.503 2.472 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001331994960 1335699849 /nfs/dbraw/zinc/69/98/49/1335699849.db2.gz AKSNXXIMSCDNQC-JKSUJKDBSA-N 2 0 341.455 2.122 10 0 EEAERP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001506750873 1342314760 /nfs/dbraw/zinc/31/47/60/1342314760.db2.gz QSTRJUOWJYXYTH-SJORKVTESA-N 2 0 341.540 2.072 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001567247254 1342718018 /nfs/dbraw/zinc/71/80/18/1342718018.db2.gz MIIWXJFDHFBHCW-SJORKVTESA-N 2 0 348.491 2.246 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[NH+]1CCCC1 ZINC001676018958 1357090320 /nfs/dbraw/zinc/09/03/20/1357090320.db2.gz XRUUFKOPLYXMIJ-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)on1 ZINC001569824863 1342953315 /nfs/dbraw/zinc/95/33/15/1342953315.db2.gz BNIXYFLXHXJJIM-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001570215887 1343032767 /nfs/dbraw/zinc/03/27/67/1343032767.db2.gz PSCMNHCFSBFPIJ-OAHLLOKOSA-N 2 0 340.899 2.356 10 0 EEAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001570259599 1343043747 /nfs/dbraw/zinc/04/37/47/1343043747.db2.gz ZVYATESMJNQHKI-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCC(F)(F)F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570687566 1343102474 /nfs/dbraw/zinc/10/24/74/1343102474.db2.gz BPTRFMNYCNVDQB-ZDUSSCGKSA-N 2 0 337.430 2.355 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001676114421 1357108688 /nfs/dbraw/zinc/10/86/88/1357108688.db2.gz KDSKWZSBFRSCHH-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001571393110 1343202546 /nfs/dbraw/zinc/20/25/46/1343202546.db2.gz JGWVXUVHMDUEKS-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423301 1357148882 /nfs/dbraw/zinc/14/88/82/1357148882.db2.gz CZNWKHSFNBNVOZ-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001676461837 1357153236 /nfs/dbraw/zinc/15/32/36/1357153236.db2.gz RQVXVZCYQRJZJF-MSOLQXFVSA-N 2 0 347.503 2.152 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001647453322 1353282793 /nfs/dbraw/zinc/28/27/93/1353282793.db2.gz UKTQAFQGTQEWIR-HUUCEWRRSA-N 2 0 337.430 2.056 10 0 EEAERP c1cc2c(c(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)c1)OCC[NH2+]C2 ZINC001647546147 1353320344 /nfs/dbraw/zinc/32/03/44/1353320344.db2.gz KJRYSLRPADJSKS-HNNXBMFYSA-N 2 0 326.400 2.028 10 0 EEAERP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001650613978 1354023750 /nfs/dbraw/zinc/02/37/50/1354023750.db2.gz YDIVDKACKSHFOX-ZWKOTPCHSA-N 2 0 328.460 2.184 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1ocnc1C ZINC001660605235 1354499101 /nfs/dbraw/zinc/49/91/01/1354499101.db2.gz DUAAOCNFQBNUNA-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001662675849 1354825033 /nfs/dbraw/zinc/82/50/33/1354825033.db2.gz TXXPOLAYEVBGPY-NVXWUHKLSA-N 2 0 325.472 2.191 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCOC(C)C)C1 ZINC001662728653 1354833318 /nfs/dbraw/zinc/83/33/18/1354833318.db2.gz RKCAOLMDXFXICO-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001664093250 1355091102 /nfs/dbraw/zinc/09/11/02/1355091102.db2.gz JTHSJSPVCZZAID-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cscn2)C1 ZINC001666173242 1355475838 /nfs/dbraw/zinc/47/58/38/1355475838.db2.gz QPHTZDOFBQPJLH-OAHLLOKOSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001667053816 1355639626 /nfs/dbraw/zinc/63/96/26/1355639626.db2.gz IQMHOKLTYSZQLN-OAHLLOKOSA-N 2 0 337.895 2.415 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001667307105 1355705211 /nfs/dbraw/zinc/70/52/11/1355705211.db2.gz QQQYSPNNAZKWMF-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668274403 1355913559 /nfs/dbraw/zinc/91/35/59/1355913559.db2.gz RPEAFIMXALMHKU-NEPJUHHUSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001668325914 1355924289 /nfs/dbraw/zinc/92/42/89/1355924289.db2.gz MYBNNUFMUURZEO-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973354 1356059152 /nfs/dbraw/zinc/05/91/52/1356059152.db2.gz PPNLEUQWTMXMHR-PLNGDYQASA-N 2 0 330.476 2.026 10 0 EEAERP C[C@@H](C[NH2+]CCCC1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669644678 1356188472 /nfs/dbraw/zinc/18/84/72/1356188472.db2.gz GATFJRNLPWCQMH-BQFCYCMXSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2o1 ZINC001670041816 1356265704 /nfs/dbraw/zinc/26/57/04/1356265704.db2.gz JHJIUSKONWQAIP-ZBFHGGJFSA-N 2 0 344.459 2.421 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC001670271437 1356309029 /nfs/dbraw/zinc/30/90/29/1356309029.db2.gz LJLGKXUZAHKHQI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672235599 1356486071 /nfs/dbraw/zinc/48/60/71/1356486071.db2.gz WDFQTWSBDSCUIQ-APWZRJJASA-N 2 0 347.503 2.225 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001672293886 1356495644 /nfs/dbraw/zinc/49/56/44/1356495644.db2.gz OIJFJEWRHQJQNI-KGLIPLIRSA-N 2 0 347.425 2.251 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2nc(C)cs2)C1)[NH+](C)C ZINC001672863909 1356602267 /nfs/dbraw/zinc/60/22/67/1356602267.db2.gz UMFAZTHSSDVNCK-GJZGRUSLSA-N 2 0 338.521 2.120 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001673402132 1356686710 /nfs/dbraw/zinc/68/67/10/1356686710.db2.gz PERSETPVGQGKTC-ROUUACIJSA-N 2 0 341.540 2.358 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001673407128 1356687134 /nfs/dbraw/zinc/68/71/34/1356687134.db2.gz OAYDPXPFUFVCKQ-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001673402838 1356687410 /nfs/dbraw/zinc/68/74/10/1356687410.db2.gz XYYJXCXXSZMIGN-QGZVFWFLSA-N 2 0 336.480 2.186 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699019364 1405233432 /nfs/dbraw/zinc/23/34/32/1405233432.db2.gz FDRVAQMTEVMGGL-YJBOKZPZSA-N 2 0 344.459 2.167 10 0 EEAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699101405 1405254350 /nfs/dbraw/zinc/25/43/50/1405254350.db2.gz WJRBNPWEQISEJA-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1C ZINC001699106281 1405260353 /nfs/dbraw/zinc/26/03/53/1405260353.db2.gz LPMLFSFJESXMCU-HNNXBMFYSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699108206 1405264968 /nfs/dbraw/zinc/26/49/68/1405264968.db2.gz YZSMNPNNSDGKTN-CQSZACIVSA-N 2 0 344.459 2.297 10 0 EEAERP Cc1c(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)ccc2c[nH+]cn21 ZINC001699578583 1405403896 /nfs/dbraw/zinc/40/38/96/1405403896.db2.gz GPYRPLKIKIKSFN-CGGYKVPPSA-N 2 0 332.835 2.493 10 0 EEAERP O=C(NCC1([NH2+]CCC2=CCCCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001699650912 1405430942 /nfs/dbraw/zinc/43/09/42/1405430942.db2.gz GRKQFZJASIYCHS-SFHVURJKSA-N 2 0 331.504 2.457 10 0 EEAERP C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CCCCCF)C1 ZINC001699813877 1405504222 /nfs/dbraw/zinc/50/42/22/1405504222.db2.gz NLCDASUGVVCIRY-WMZOPIPTSA-N 2 0 325.472 2.049 10 0 EEAERP COc1cccc(N2CC[NH+](CCSCCn3ccnc3)CC2)c1 ZINC000918737219 769359590 /nfs/dbraw/zinc/35/95/90/769359590.db2.gz FNDJULBJGXQUDM-UHFFFAOYSA-N 2 0 346.500 2.447 10 0 EEAERP CSc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+](C)C)cc1 ZINC000908456482 785446089 /nfs/dbraw/zinc/44/60/89/785446089.db2.gz DRWWJJYMBTYPEX-MRXNPFEDSA-N 2 0 333.501 2.223 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)=C1CCC1 ZINC000819202192 785460617 /nfs/dbraw/zinc/46/06/17/785460617.db2.gz GUNMATSONZPWNC-UHFFFAOYSA-N 2 0 332.423 2.117 10 0 EEAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Br)cn1 ZINC000710725907 786983855 /nfs/dbraw/zinc/98/38/55/786983855.db2.gz XOZKJCHQNRDZEY-UHFFFAOYSA-N 2 0 343.269 2.234 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923367755 789445094 /nfs/dbraw/zinc/44/50/94/789445094.db2.gz XGEASJQKXVRQHZ-CRAIPNDOSA-N 2 0 338.879 2.464 10 0 EEAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000923400908 789500795 /nfs/dbraw/zinc/50/07/95/789500795.db2.gz ZXJMIYWPERLHBE-IBQAVYJKSA-N 2 0 333.476 2.070 10 0 EEAERP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451779 789584051 /nfs/dbraw/zinc/58/40/51/789584051.db2.gz CWOAKWIEKAPRJE-IAGOWNOFSA-N 2 0 339.524 2.147 10 0 EEAERP C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC[C@@H]1C[NH3+] ZINC000923498576 789680210 /nfs/dbraw/zinc/68/02/10/789680210.db2.gz PCWFRXGXRRGLJG-VXGBXAGGSA-N 2 0 326.400 2.498 10 0 EEAERP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499915 789683832 /nfs/dbraw/zinc/68/38/32/789683832.db2.gz ODTIEVAFOMJIDB-QZTJIDSGSA-N 2 0 347.503 2.057 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713378919 794563300 /nfs/dbraw/zinc/56/33/00/794563300.db2.gz OXYAFUIEAJGKOM-SEEKVXKWSA-N 2 0 327.472 2.141 10 0 EEAERP Cc1ccc2nc(C[NH+]3CCC([C@@H]4[NH2+]CC4(C)C)CC3)cc(=O)n2c1 ZINC000952877378 796061387 /nfs/dbraw/zinc/06/13/87/796061387.db2.gz PEMZMQNIBCZLSF-IBGZPJMESA-N 2 0 340.471 2.213 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000915648224 796345561 /nfs/dbraw/zinc/34/55/61/796345561.db2.gz JUSPEZJFJOXQOV-UHFFFAOYSA-N 2 0 333.480 2.211 10 0 EEAERP CN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1=O ZINC000716651597 796405172 /nfs/dbraw/zinc/40/51/72/796405172.db2.gz QXTLUSSEPVOOPZ-ZSYWTGECSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716694237 796443284 /nfs/dbraw/zinc/44/32/84/796443284.db2.gz SAVSFSSNSRODOK-UVBQOVKKSA-N 2 0 330.472 2.169 10 0 EEAERP CN(C)CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000922631273 801548176 /nfs/dbraw/zinc/54/81/76/801548176.db2.gz UTZSLLNRKJIPDH-MSOLQXFVSA-N 2 0 333.476 2.392 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001436675505 1088122709 /nfs/dbraw/zinc/12/27/09/1088122709.db2.gz UKWSGHQSEAXCEF-UHFFFAOYSA-N 2 0 349.523 2.147 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001436806975 1088389166 /nfs/dbraw/zinc/38/91/66/1088389166.db2.gz MLHSJQWXDJIVCS-DNVCBOLYSA-N 2 0 347.478 2.460 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001436935699 1088609015 /nfs/dbraw/zinc/60/90/15/1088609015.db2.gz QGLDBURAJYBJMK-FDYHWXHSSA-N 2 0 334.291 2.415 10 0 EEAERP Cc1cnc([C@H](C)[NH+]2CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cn1 ZINC001437001045 1088755733 /nfs/dbraw/zinc/75/57/33/1088755733.db2.gz IRKLWKXYYIMYJN-IRXDYDNUSA-N 2 0 347.507 2.014 10 0 EEAERP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001437005159 1088770809 /nfs/dbraw/zinc/77/08/09/1088770809.db2.gz YPZICUZEPLKTKX-LYASGUKUSA-N 2 0 327.900 2.442 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001437307036 1089462197 /nfs/dbraw/zinc/46/21/97/1089462197.db2.gz DDLNPRHESYIEOL-HNNXBMFYSA-N 2 0 329.444 2.323 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321030 1089482793 /nfs/dbraw/zinc/48/27/93/1089482793.db2.gz IKFGEAXCQRARIX-IAGOWNOFSA-N 2 0 348.491 2.376 10 0 EEAERP Cc1cc(F)ccc1C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001437728050 1090285042 /nfs/dbraw/zinc/28/50/42/1090285042.db2.gz OGVBJAXUXGBQMT-RDJZCZTQSA-N 2 0 347.478 2.414 10 0 EEAERP CCC[N@@H+](C/C=C/Cl)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001437755452 1090324939 /nfs/dbraw/zinc/32/49/39/1090324939.db2.gz ZBWSDHYTTLKDSR-VMPITWQZSA-N 2 0 327.900 2.443 10 0 EEAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C)s1 ZINC001438311958 1090790332 /nfs/dbraw/zinc/79/03/32/1090790332.db2.gz RXDXNNCOCFCXRI-HUUCEWRRSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1cnc(C)s1 ZINC001438378358 1090861529 /nfs/dbraw/zinc/86/15/29/1090861529.db2.gz SKLMEDJYDFWSDW-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438421464 1090916516 /nfs/dbraw/zinc/91/65/16/1090916516.db2.gz KZRQINZYMCJTKT-QUCCMNQESA-N 2 0 344.503 2.331 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001438520833 1091012676 /nfs/dbraw/zinc/01/26/76/1091012676.db2.gz NRYVFXATJCQEIA-CVEARBPZSA-N 2 0 347.503 2.440 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438680807 1091177751 /nfs/dbraw/zinc/17/77/51/1091177751.db2.gz IMVHFDZFXWYVOD-GDBMZVCRSA-N 2 0 335.467 2.412 10 0 EEAERP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001438713808 1091233632 /nfs/dbraw/zinc/23/36/32/1091233632.db2.gz YCZYQCUUMINDSU-MRXNPFEDSA-N 2 0 329.488 2.281 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480999 1091259239 /nfs/dbraw/zinc/25/92/39/1091259239.db2.gz LXPPYJIQVBSZGL-OLZOCXBDSA-N 2 0 337.414 2.216 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001445646593 1091436461 /nfs/dbraw/zinc/43/64/61/1091436461.db2.gz GSJYCVDDPGJICS-LBPRGKRZSA-N 2 0 327.831 2.169 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)s1 ZINC001438967660 1091660057 /nfs/dbraw/zinc/66/00/57/1091660057.db2.gz SHGVTWHRATZRER-GOEBONIOSA-N 2 0 338.521 2.166 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(C)o1 ZINC001445902156 1091828720 /nfs/dbraw/zinc/82/87/20/1091828720.db2.gz QYXWGUROVZNAPM-WBVHZDCISA-N 2 0 336.480 2.089 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439282758 1091940939 /nfs/dbraw/zinc/94/09/39/1091940939.db2.gz MWDJGSCNQFOXSE-INIZCTEOSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001439330324 1092012817 /nfs/dbraw/zinc/01/28/17/1092012817.db2.gz YISBMIHIOVTALW-NJZAAPMLSA-N 2 0 338.521 2.037 10 0 EEAERP COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001439424146 1092191816 /nfs/dbraw/zinc/19/18/16/1092191816.db2.gz SSDQSBUQKAESTG-IEBWSBKVSA-N 2 0 347.503 2.412 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)c(F)c1)C1CC1)[NH+](C)C ZINC001439485375 1092293291 /nfs/dbraw/zinc/29/32/91/1092293291.db2.gz PGUICNOIGRIZFA-ZWKOTPCHSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC001446230682 1092340949 /nfs/dbraw/zinc/34/09/49/1092340949.db2.gz RNPQRYOWYFYVFE-AWEZNQCLSA-N 2 0 333.451 2.467 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439580216 1092477836 /nfs/dbraw/zinc/47/78/36/1092477836.db2.gz ZMGDHWVNGPQQQI-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1cnc([C@@H](C)[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)cn1 ZINC001439806563 1092765318 /nfs/dbraw/zinc/76/53/18/1092765318.db2.gz WXMJDVZZWUYXFL-MRXNPFEDSA-N 2 0 347.507 2.159 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001439942500 1093046709 /nfs/dbraw/zinc/04/67/09/1093046709.db2.gz QXTQDQIXSBDZOY-IBGZPJMESA-N 2 0 348.491 2.222 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC001439975118 1093093645 /nfs/dbraw/zinc/09/36/45/1093093645.db2.gz QOJAIYLPUWCDOO-LSDHHAIUSA-N 2 0 349.441 2.150 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H](C)c1ccccc1 ZINC001440201960 1093274072 /nfs/dbraw/zinc/27/40/72/1093274072.db2.gz SHWSJAQPJBEQNO-MJGOQNOKSA-N 2 0 347.503 2.031 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001440221499 1093300850 /nfs/dbraw/zinc/30/08/50/1093300850.db2.gz SBNGAERCPKSGGX-KOMQPUFPSA-N 2 0 348.491 2.268 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@H](C)COC)CC2)[NH+](CC)CC ZINC001440229538 1093312405 /nfs/dbraw/zinc/31/24/05/1093312405.db2.gz GSVFZEGWSIUTRD-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C)nc2C)CC1(C)C ZINC001448411593 1093420431 /nfs/dbraw/zinc/42/04/31/1093420431.db2.gz HNLLQERZGFTGEM-GOSISDBHSA-N 2 0 346.519 2.367 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC(F)(F)C3)C[C@H]21 ZINC001448458784 1093468398 /nfs/dbraw/zinc/46/83/98/1093468398.db2.gz HUJFVXDPWLIUDD-PHZGNYQRSA-N 2 0 343.462 2.058 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001440408401 1093601057 /nfs/dbraw/zinc/60/10/57/1093601057.db2.gz DZPRTOOSUANMJJ-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)sn1 ZINC001440426987 1093627069 /nfs/dbraw/zinc/62/70/69/1093627069.db2.gz JOIRCMWQRHHMTP-MRXNPFEDSA-N 2 0 338.521 2.216 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001440665218 1093932443 /nfs/dbraw/zinc/93/24/43/1093932443.db2.gz RXWIKNDZXBHGPF-KBXCAEBGSA-N 2 0 348.491 2.374 10 0 EEAERP CC[N@H+](CCF)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001440708354 1093956938 /nfs/dbraw/zinc/95/69/38/1093956938.db2.gz XULKNNYNYVLNBE-HOTGVXAUSA-N 2 0 327.488 2.389 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001440717069 1093959098 /nfs/dbraw/zinc/95/90/98/1093959098.db2.gz PEOIXNXMNWQKMV-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440813262 1094066444 /nfs/dbraw/zinc/06/64/44/1094066444.db2.gz CREUTJMYKHSUBQ-KBPBESRZSA-N 2 0 336.480 2.094 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001440826836 1094079403 /nfs/dbraw/zinc/07/94/03/1094079403.db2.gz CESQNNIOZPHNJI-ZIAGYGMSSA-N 2 0 336.480 2.086 10 0 EEAERP C[C@H](F)CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001440861226 1094123721 /nfs/dbraw/zinc/12/37/21/1094123721.db2.gz ZXAHATQLNUKKQY-OOHWJJMZSA-N 2 0 327.488 2.436 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccc1OC1CC1 ZINC001440907961 1094162594 /nfs/dbraw/zinc/16/25/94/1094162594.db2.gz DPRJMNSHWUSSFN-YJBOKZPZSA-N 2 0 345.487 2.259 10 0 EEAERP C[C@@H](O)C[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001449307425 1094261427 /nfs/dbraw/zinc/26/14/27/1094261427.db2.gz HVXGXTBUSLZAEH-ZBFHGGJFSA-N 2 0 341.540 2.141 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001449324526 1094276396 /nfs/dbraw/zinc/27/63/96/1094276396.db2.gz RSPPBVLFEZNSHC-QGZVFWFLSA-N 2 0 335.492 2.267 10 0 EEAERP Cc1cncc(C[NH+]2CCC([C@@H](C)NC(=O)Cc3c[nH]cn3)CC2)c1 ZINC001449349323 1094306322 /nfs/dbraw/zinc/30/63/22/1094306322.db2.gz BLJYQOZWFFYSCL-OAHLLOKOSA-N 2 0 341.459 2.073 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC(C)C)C1 ZINC001449364809 1094331086 /nfs/dbraw/zinc/33/10/86/1094331086.db2.gz FSOITGIHEOZZBY-KGLIPLIRSA-N 2 0 337.430 2.353 10 0 EEAERP Cc1ccc(C[NH+]2CCC3(C[C@H]3NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001441135652 1094466224 /nfs/dbraw/zinc/46/62/24/1094466224.db2.gz JSAXCFNOPNCGCK-GOSISDBHSA-N 2 0 329.488 2.417 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](Cc1ocnc1C)CC2 ZINC001441155808 1094498464 /nfs/dbraw/zinc/49/84/64/1094498464.db2.gz LAEILOMPBWCYCQ-QGZVFWFLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441185515 1094542356 /nfs/dbraw/zinc/54/23/56/1094542356.db2.gz XONKUAVQMFACOR-QGZVFWFLSA-N 2 0 331.504 2.316 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C2CC2)CC[N@@H+]1C ZINC001441197702 1094558103 /nfs/dbraw/zinc/55/81/03/1094558103.db2.gz QKEIOVLGDDOYDJ-RAIGVLPGSA-N 2 0 334.291 2.130 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001441417706 1095001759 /nfs/dbraw/zinc/00/17/59/1095001759.db2.gz KZZGYMWLXFLYQD-KKUMJFAQSA-N 2 0 331.451 2.391 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001441578024 1095370383 /nfs/dbraw/zinc/37/03/83/1095370383.db2.gz XIGYVUHIFDGBDI-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH+](C/C=C\Cl)C[C@H]21)c1ccccc1 ZINC001441728586 1095708305 /nfs/dbraw/zinc/70/83/05/1095708305.db2.gz CSVIGZRRCQLMHJ-DUPJDYMHSA-N 2 0 347.890 2.478 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC001441851438 1095939006 /nfs/dbraw/zinc/93/90/06/1095939006.db2.gz CNZFOQSUUPAKAX-CRAIPNDOSA-N 2 0 349.523 2.241 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3conc3C)[C@@H]2C1 ZINC001441872817 1095987946 /nfs/dbraw/zinc/98/79/46/1095987946.db2.gz MSHNTLCTTRWCPY-JQHSSLGASA-N 2 0 348.491 2.042 10 0 EEAERP CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001441902138 1096062380 /nfs/dbraw/zinc/06/23/80/1096062380.db2.gz XHAXSOWAAIWICT-BHIYHBOVSA-N 2 0 331.504 2.444 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001441933706 1096125145 /nfs/dbraw/zinc/12/51/45/1096125145.db2.gz RBDCQVUOWQHERW-MAUKXSAKSA-N 2 0 347.503 2.223 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(C)ns2)C1 ZINC001441944277 1096143977 /nfs/dbraw/zinc/14/39/77/1096143977.db2.gz UMQVRHJBDSGORF-LSDHHAIUSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001442045550 1096256321 /nfs/dbraw/zinc/25/63/21/1096256321.db2.gz HLQOLQRXDUPZDC-WBVHZDCISA-N 2 0 333.476 2.020 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001442228048 1096526293 /nfs/dbraw/zinc/52/62/93/1096526293.db2.gz VDMGSMFWFCMCKJ-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001442277366 1096587294 /nfs/dbraw/zinc/58/72/94/1096587294.db2.gz XKPZUHTUDLCOKS-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001442316412 1096634586 /nfs/dbraw/zinc/63/45/86/1096634586.db2.gz DIYGRSIVWYQEEZ-WBVHZDCISA-N 2 0 345.487 2.043 10 0 EEAERP Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001442818960 1097205848 /nfs/dbraw/zinc/20/58/48/1097205848.db2.gz CHBKGIXVYDQXGK-GOSISDBHSA-N 2 0 345.487 2.050 10 0 EEAERP C[C@@H]([NH2+]CCc1cccs1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443126045 1097548437 /nfs/dbraw/zinc/54/84/37/1097548437.db2.gz XGFFJTXKATWDMD-OAHLLOKOSA-N 2 0 337.533 2.459 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001443257495 1097734113 /nfs/dbraw/zinc/73/41/13/1097734113.db2.gz DTNFFBKYUWTUBK-RTBURBONSA-N 2 0 329.488 2.357 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001443260483 1097739138 /nfs/dbraw/zinc/73/91/38/1097739138.db2.gz HUNLTMYREASBGJ-ZIAGYGMSSA-N 2 0 335.414 2.109 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001443268177 1097749666 /nfs/dbraw/zinc/74/96/66/1097749666.db2.gz ILDKAYKSSAITQN-SFHVURJKSA-N 2 0 345.487 2.119 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c(C)n1 ZINC001443816347 1098313973 /nfs/dbraw/zinc/31/39/73/1098313973.db2.gz OVICRMOJBPDMMM-LJQANCHMSA-N 2 0 344.503 2.215 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1OC1CC1 ZINC001444031045 1098549923 /nfs/dbraw/zinc/54/99/23/1098549923.db2.gz DGRDPTAXLWCOSM-IRXDYDNUSA-N 2 0 345.487 2.164 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001479494003 1098563036 /nfs/dbraw/zinc/56/30/36/1098563036.db2.gz FEGFJQLZPLUUPV-GVDBMIGSSA-N 2 0 327.488 2.341 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001479495464 1098563914 /nfs/dbraw/zinc/56/39/14/1098563914.db2.gz OSJHLZGANXZRHB-FWRQMEPDSA-N 2 0 334.291 2.276 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001479495463 1098564110 /nfs/dbraw/zinc/56/41/10/1098564110.db2.gz OSJHLZGANXZRHB-DOOVCASASA-N 2 0 334.291 2.276 10 0 EEAERP CCOCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001479499827 1098567106 /nfs/dbraw/zinc/56/71/06/1098567106.db2.gz AKJCBSFIBONSMV-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP COCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001479505320 1098572175 /nfs/dbraw/zinc/57/21/75/1098572175.db2.gz YWWDULTVWGXKSR-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCC2)C1 ZINC001444076881 1098604048 /nfs/dbraw/zinc/60/40/48/1098604048.db2.gz JEEIPBDPMWIUQU-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCOc1ccccc1 ZINC001479699601 1098771486 /nfs/dbraw/zinc/77/14/86/1098771486.db2.gz OEGFQZAXIHYIIL-NEWSRXKRSA-N 2 0 345.487 2.129 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001444311316 1098870168 /nfs/dbraw/zinc/87/01/68/1098870168.db2.gz RSCSTHOMJKSFLI-GUYCJALGSA-N 2 0 335.517 2.240 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001444377362 1098955912 /nfs/dbraw/zinc/95/59/12/1098955912.db2.gz FVOWOQWEJYJKCZ-LSDHHAIUSA-N 2 0 345.478 2.496 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)Cc1conc1C ZINC001479846721 1099141202 /nfs/dbraw/zinc/14/12/02/1099141202.db2.gz QFIMNEVGUYPJGI-UHFFFAOYSA-N 2 0 348.491 2.187 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479905955 1099292030 /nfs/dbraw/zinc/29/20/30/1099292030.db2.gz FZIGXZYUPTWCGH-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479905788 1099292517 /nfs/dbraw/zinc/29/25/17/1099292517.db2.gz BRQYHZROULSQSV-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](Cc1cnc(C)o1)CC2 ZINC001479986588 1099445589 /nfs/dbraw/zinc/44/55/89/1099445589.db2.gz MNPJDZNZQNWJAS-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)c(C)n1 ZINC001480024950 1099508811 /nfs/dbraw/zinc/50/88/11/1099508811.db2.gz ZAHZRZOOWTXTJC-SFHVURJKSA-N 2 0 344.503 2.167 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444669922 1099510570 /nfs/dbraw/zinc/51/05/70/1099510570.db2.gz SBLUAYKFCNGNNI-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CCc1ccccc1Cl)C1CC1 ZINC001480063963 1099594087 /nfs/dbraw/zinc/59/40/87/1099594087.db2.gz MFYLXUFVZBCXQU-GOSISDBHSA-N 2 0 349.906 2.463 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480078682 1099623514 /nfs/dbraw/zinc/62/35/14/1099623514.db2.gz MONOSTLKSUGSCH-HOTGVXAUSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001480187495 1099781776 /nfs/dbraw/zinc/78/17/76/1099781776.db2.gz CUQKTWXIFQVPSB-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480208191 1099815483 /nfs/dbraw/zinc/81/54/83/1099815483.db2.gz QPCYBTYPYDFQRN-AIANPOQGSA-N 2 0 325.472 2.378 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001480238832 1099871645 /nfs/dbraw/zinc/87/16/45/1099871645.db2.gz YAXXYQZGPWXZAM-OXRLHVDVSA-N 2 0 334.291 2.418 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CCOC1)C(=O)CC[NH+](C)C1CCCCC1 ZINC001445015838 1100168377 /nfs/dbraw/zinc/16/83/77/1100168377.db2.gz VJJGAOYOUIMRLY-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001480478004 1100284916 /nfs/dbraw/zinc/28/49/16/1100284916.db2.gz WAVBMYDJAPQZSA-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC[C@H]1CCCCO1 ZINC001445082642 1100295381 /nfs/dbraw/zinc/29/53/81/1100295381.db2.gz FVEKDRMWXPTRRX-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCc1ccccc1 ZINC001480549933 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RVMZEWMWGNHMOX-TVFCKZIOSA-N 2 0 339.524 2.037 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CCCC1(F)F)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496836915 1101568179 /nfs/dbraw/zinc/56/81/79/1101568179.db2.gz WDODYWCHLHTPEJ-HUUCEWRRSA-N 2 0 331.451 2.154 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001495809027 1101624242 /nfs/dbraw/zinc/62/42/42/1101624242.db2.gz OIXJRLQUFAYWLF-INIZCTEOSA-N 2 0 332.492 2.143 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC001496063504 1101999532 /nfs/dbraw/zinc/99/95/32/1101999532.db2.gz IEWMOLMZEXABSU-UWWQBHOKSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc2c(c1)COC2)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496094841 1102045409 /nfs/dbraw/zinc/04/54/09/1102045409.db2.gz MUARKIQGLPKKEX-DNVCBOLYSA-N 2 0 345.487 2.138 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001496099712 1102062604 /nfs/dbraw/zinc/06/26/04/1102062604.db2.gz WVCJGAYAQLOGDU-GFCCVEGCSA-N 2 0 341.415 2.189 10 0 EEAERP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC2)s1 ZINC001447215697 1102221618 /nfs/dbraw/zinc/22/16/18/1102221618.db2.gz MFKGNFIPYRUMRZ-OAHLLOKOSA-N 2 0 336.505 2.064 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001497297227 1102271997 /nfs/dbraw/zinc/27/19/97/1102271997.db2.gz CCBZPQJTZPWWSL-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ncc(Cl)s1 ZINC001497330379 1102336100 /nfs/dbraw/zinc/33/61/00/1102336100.db2.gz HONGCDNTKKAEDS-NSHDSACASA-N 2 0 332.901 2.121 10 0 EEAERP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001447292408 1102378693 /nfs/dbraw/zinc/37/86/93/1102378693.db2.gz XLAHQYOPRFWOOT-PBHICJAKSA-N 2 0 344.459 2.119 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497453340 1102512313 /nfs/dbraw/zinc/51/23/13/1102512313.db2.gz AYNGVIAFLNXFFN-YOEHRIQHSA-N 2 0 333.467 2.385 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC001497595434 1102722303 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CCCC[C@@H](C[NH2+]Cc1c(C)noc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448247329 1104240379 /nfs/dbraw/zinc/24/03/79/1104240379.db2.gz ISQFPNMQJVXDPR-RDJZCZTQSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ncoc1C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001448254058 1104250420 /nfs/dbraw/zinc/25/04/20/1104250420.db2.gz FCTJRRDCVMOHKJ-MRXNPFEDSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cnc(C)s1 ZINC001495015712 1104657583 /nfs/dbraw/zinc/65/75/83/1104657583.db2.gz WPCRITTXFFQOTD-AWEZNQCLSA-N 2 0 336.505 2.064 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]Cc2cccnc2C)C1 ZINC001495040565 1104681546 /nfs/dbraw/zinc/68/15/46/1104681546.db2.gz FFKWFHNSCAKQRM-MOPGFXCFSA-N 2 0 346.519 2.496 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CCOCC1 ZINC001495046209 1104684275 /nfs/dbraw/zinc/68/42/75/1104684275.db2.gz IUDGYLJRFHEGQD-SZMVWBNQSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1conc1C ZINC001495068710 1104707684 /nfs/dbraw/zinc/70/76/84/1104707684.db2.gz IRIQOWVZXUQUKW-IRXDYDNUSA-N 2 0 336.480 2.230 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480679488 1106869539 /nfs/dbraw/zinc/86/95/39/1106869539.db2.gz NXAABTGQXZORGJ-MBNRZODZSA-N 2 0 327.472 2.234 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)C[NH+]1CCCC1 ZINC001498189766 1107052287 /nfs/dbraw/zinc/05/22/87/1107052287.db2.gz GFEKKXUHTZILMV-HOTGVXAUSA-N 2 0 329.488 2.426 10 0 EEAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccnc1C ZINC001493002293 1107283264 /nfs/dbraw/zinc/28/32/64/1107283264.db2.gz SSOJVWFACIEPOY-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001498355620 1107373535 /nfs/dbraw/zinc/37/35/35/1107373535.db2.gz IVHNOBSQGKSJKN-MRXNPFEDSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC1CC1 ZINC001493318879 1107922895 /nfs/dbraw/zinc/92/28/95/1107922895.db2.gz XTUXXZGLTSBGET-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP CC/C=C\CC[N@H+](CCNC(=O)[C@H]1CCc2nccn2C1)C1CC1 ZINC001493386041 1108043066 /nfs/dbraw/zinc/04/30/66/1108043066.db2.gz XSGSACPIUYNEHU-QGZUEGPWSA-N 2 0 330.476 2.382 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1 ZINC001493612716 1108402781 /nfs/dbraw/zinc/40/27/81/1108402781.db2.gz GAVYYYNOFFWFKF-IBGZPJMESA-N 2 0 331.504 2.398 10 0 EEAERP CCc1nocc1C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001493720675 1108564885 /nfs/dbraw/zinc/56/48/85/1108564885.db2.gz ORVKRPJIIBTJOB-HNNXBMFYSA-N 2 0 336.480 2.050 10 0 EEAERP CCC[NH+]1CCC(Cn2c(C)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001460497625 1110296621 /nfs/dbraw/zinc/29/66/21/1110296621.db2.gz LPQDEMNMIJCMLF-INIZCTEOSA-N 2 0 348.539 2.239 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)Cc1ccccc1 ZINC001463835904 1110381521 /nfs/dbraw/zinc/38/15/21/1110381521.db2.gz JPCWLVMMNUDMDV-OALUTQOASA-N 2 0 349.494 2.490 10 0 EEAERP CSC1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC001468637685 1110478045 /nfs/dbraw/zinc/47/80/45/1110478045.db2.gz LGDJCWCCRZNBIG-GJZGRUSLSA-N 2 0 327.538 2.050 10 0 EEAERP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC001471871526 1110534249 /nfs/dbraw/zinc/53/42/49/1110534249.db2.gz REBQBANTKDGEGF-DLBZAZTESA-N 2 0 339.549 2.050 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001472471146 1110557515 /nfs/dbraw/zinc/55/75/15/1110557515.db2.gz BITYWNCRCCECCM-IAGOWNOFSA-N 2 0 330.476 2.289 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001479223914 1110662347 /nfs/dbraw/zinc/66/23/47/1110662347.db2.gz FTVICJXIBZVICU-OSNZYPHYSA-N 2 0 330.476 2.335 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001499184513 1112167481 /nfs/dbraw/zinc/16/74/81/1112167481.db2.gz XXCRZLINBXFKIE-YPHWWSSASA-N 2 0 327.472 2.423 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001500112360 1112623177 /nfs/dbraw/zinc/62/31/77/1112623177.db2.gz VGGGPIQEGOBGHK-LPHOPBHVSA-N 2 0 344.503 2.188 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1 ZINC001500149812 1112639590 /nfs/dbraw/zinc/63/95/90/1112639590.db2.gz YPBUKDXVFNAGLH-MSOLQXFVSA-N 2 0 345.487 2.082 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001500160871 1112647140 /nfs/dbraw/zinc/64/71/40/1112647140.db2.gz FSRVYSNYGVBCSD-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500519801 1112912750 /nfs/dbraw/zinc/91/27/50/1112912750.db2.gz SHRHWKDZJJRMLX-GOSISDBHSA-N 2 0 348.491 2.043 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCOCC1 ZINC001500581814 1112954567 /nfs/dbraw/zinc/95/45/67/1112954567.db2.gz IIQJLLCCPZFFLA-KRWDZBQOSA-N 2 0 339.524 2.164 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC[C@H]3CC3(Cl)Cl)CCC2)C1 ZINC001502026141 1113563517 /nfs/dbraw/zinc/56/35/17/1113563517.db2.gz MZKUNFHAVPREEI-STQMWFEESA-N 2 0 348.318 2.151 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681037 1114128150 /nfs/dbraw/zinc/12/81/50/1114128150.db2.gz IJGLLHQENGFFLF-HUUCEWRRSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001505681210 1114128183 /nfs/dbraw/zinc/12/81/83/1114128183.db2.gz KNSWMVBAQZSFQA-ZIAGYGMSSA-N 2 0 344.459 2.152 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001505731446 1114155987 /nfs/dbraw/zinc/15/59/87/1114155987.db2.gz CEVODKRXZCRXRX-IAGOWNOFSA-N 2 0 329.488 2.382 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001505762019 1114175260 /nfs/dbraw/zinc/17/52/60/1114175260.db2.gz XQIKGEPFKYGWHK-KGLIPLIRSA-N 2 0 344.459 2.341 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505847746 1114230831 /nfs/dbraw/zinc/23/08/31/1114230831.db2.gz BYVUWTLQEZXNFE-QGZVFWFLSA-N 2 0 347.503 2.091 10 0 EEAERP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506505343 1114657660 /nfs/dbraw/zinc/65/76/60/1114657660.db2.gz OABRGQROGTZQSK-RDJZCZTQSA-N 2 0 339.499 2.485 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001506848476 1114911289 /nfs/dbraw/zinc/91/12/89/1114911289.db2.gz AVDCOHKKKIALPX-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCC[NH2+]CCF)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001506923685 1114976890 /nfs/dbraw/zinc/97/68/90/1114976890.db2.gz RKDXLHMBZSLJSN-HOTGVXAUSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C2CC2)no1 ZINC001507085407 1115100452 /nfs/dbraw/zinc/10/04/52/1115100452.db2.gz MSKPVIJOUGIYAM-GOEBONIOSA-N 2 0 348.491 2.363 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1Cl ZINC001507120569 1115118475 /nfs/dbraw/zinc/11/84/75/1115118475.db2.gz ZRQWLZHYNMEPHA-CQSZACIVSA-N 2 0 325.884 2.271 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cc1F ZINC001507146927 1115133075 /nfs/dbraw/zinc/13/30/75/1115133075.db2.gz FKZISBQEHMDSLG-HNNXBMFYSA-N 2 0 333.451 2.166 10 0 EEAERP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cncc(F)c1 ZINC001507160866 1115141399 /nfs/dbraw/zinc/14/13/99/1115141399.db2.gz GSUODXMVMFFMKJ-OAHLLOKOSA-N 2 0 336.455 2.033 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507339211 1115202746 /nfs/dbraw/zinc/20/27/46/1115202746.db2.gz MMGNBDSPRLVKPM-APWZRJJASA-N 2 0 347.503 2.366 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC001507341370 1115204222 /nfs/dbraw/zinc/20/42/22/1115204222.db2.gz SOQQBSDSJLUVNW-GUYCJALGSA-N 2 0 339.430 2.384 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1N(Cc1cncc(F)c1)CC2 ZINC001507350761 1115213617 /nfs/dbraw/zinc/21/36/17/1115213617.db2.gz BRCWISYWEAYCNP-IEBWSBKVSA-N 2 0 348.466 2.176 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCF)[C@H]2C1 ZINC001507361719 1115222356 /nfs/dbraw/zinc/22/23/56/1115222356.db2.gz CNRRZWRBZWNRAV-OKZBNKHCSA-N 2 0 339.499 2.439 10 0 EEAERP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]C/C=C/Cl ZINC001507453523 1115278734 /nfs/dbraw/zinc/27/87/34/1115278734.db2.gz JRNOLHGJONIQIB-PMGBHYCQSA-N 2 0 327.900 2.442 10 0 EEAERP CCOCC[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001507812831 1115350767 /nfs/dbraw/zinc/35/07/67/1115350767.db2.gz IAKRKGOBBCFMEN-UHFFFAOYSA-N 2 0 346.475 2.462 10 0 EEAERP COc1ccc(C[NH+]2CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001508064529 1115408348 /nfs/dbraw/zinc/40/83/48/1115408348.db2.gz IBUSJFCFALYWAG-MRXNPFEDSA-N 2 0 347.503 2.364 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC001508066014 1115409348 /nfs/dbraw/zinc/40/93/48/1115409348.db2.gz KQCJMPBQUNIHFY-OAHLLOKOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@](C[NH2+]C/C=C/Cl)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001568034200 1124241048 /nfs/dbraw/zinc/24/10/48/1124241048.db2.gz NKFCILJFVPVTSD-MPNRVQBSSA-N 2 0 327.900 2.489 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ncccc2C)C1 ZINC001568071831 1124276444 /nfs/dbraw/zinc/27/64/44/1124276444.db2.gz CXJUWCRJBMTQLZ-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568279135 1124401118 /nfs/dbraw/zinc/40/11/18/1124401118.db2.gz JGLUHWAWVQKQFI-CJNGLKHVSA-N 2 0 340.899 2.258 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC(F)(F)F)C1 ZINC001568400179 1124470339 /nfs/dbraw/zinc/47/03/39/1124470339.db2.gz FECYNZQIJHSNSY-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP O=C(N1CC[C@@H]2[C@@H](CC[N@H+]2CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001568516281 1124581171 /nfs/dbraw/zinc/58/11/71/1124581171.db2.gz VIYVIEVFRSMIQO-DLBZAZTESA-N 2 0 337.483 2.145 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncc(F)c1 ZINC001568639118 1124652208 /nfs/dbraw/zinc/65/22/08/1124652208.db2.gz KNRJNZLTPQIWDE-RHSMWYFYSA-N 2 0 336.455 2.080 10 0 EEAERP C[C@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001568672490 1124686395 /nfs/dbraw/zinc/68/63/95/1124686395.db2.gz MQFFZYCWLDUUQW-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568800438 1124814384 /nfs/dbraw/zinc/81/43/84/1124814384.db2.gz JLHOXJZLAOVRTE-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001568873237 1124899310 /nfs/dbraw/zinc/89/93/10/1124899310.db2.gz IRFRIDWIMZCNPS-LSMGEYOZSA-N 2 0 348.318 2.317 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568928282 1124959622 /nfs/dbraw/zinc/95/96/22/1124959622.db2.gz KHSSNNMVWZCQRG-FYCOFBDGSA-N 2 0 348.491 2.318 10 0 EEAERP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCF ZINC001569343807 1125244505 /nfs/dbraw/zinc/24/45/05/1125244505.db2.gz ZJGAAWDJEPXUGZ-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP COc1cc2c(c(C[NH2+]CC3CC[NH+](C[C@H](C)O)CC3)c1)O[C@H](C)C2 ZINC000069434569 215412196 /nfs/dbraw/zinc/41/21/96/215412196.db2.gz AASZFGBJBJVHAH-LSDHHAIUSA-N 2 0 348.487 2.201 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000124189075 283063626 /nfs/dbraw/zinc/06/36/26/283063626.db2.gz YEJABBMWPVDFAT-QZTJIDSGSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H]([NH2+]CCN1CC[NH+](C)CC1)c1sccc1Br ZINC000037760002 213166203 /nfs/dbraw/zinc/16/62/03/213166203.db2.gz GRPDHLVGQRMBPG-NSHDSACASA-N 2 0 332.311 2.409 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419002783 239396869 /nfs/dbraw/zinc/39/68/69/239396869.db2.gz QCVOSFGBUXXMDH-CHWSQXEVSA-N 2 0 333.407 2.274 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727495 240196844 /nfs/dbraw/zinc/19/68/44/240196844.db2.gz CRBBWCAEOVNZKQ-QCZZGDTMSA-N 2 0 331.229 2.430 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727492 240197030 /nfs/dbraw/zinc/19/70/30/240197030.db2.gz CRBBWCAEOVNZKQ-CUOATXAZSA-N 2 0 331.229 2.430 10 0 EEAERP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801312 240231432 /nfs/dbraw/zinc/23/14/32/240231432.db2.gz BRLGGBRDVUCSST-UXHICEINSA-N 2 0 329.488 2.139 10 0 EEAERP C[C@@H]1C[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838490 240255708 /nfs/dbraw/zinc/25/57/08/240255708.db2.gz OOFXZIIXGORMDB-DBOLQNLKSA-N 2 0 343.515 2.396 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cn2)C[C@H](C)O1 ZINC000422878022 240271029 /nfs/dbraw/zinc/27/10/29/240271029.db2.gz IRLJLSZJSQSIGJ-CYGHRXIMSA-N 2 0 332.492 2.302 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422876547 240272777 /nfs/dbraw/zinc/27/27/77/240272777.db2.gz QIWUPIOTLFBQLQ-KHYOSLBOSA-N 2 0 333.476 2.260 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cn2)C[C@H](C)O1 ZINC000422886008 240273518 /nfs/dbraw/zinc/27/35/18/240273518.db2.gz VNZVFRJRNYNVTK-SFYZZRBRSA-N 2 0 332.492 2.302 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)CC[NH2+]CC1 ZINC000422974944 240314317 /nfs/dbraw/zinc/31/43/17/240314317.db2.gz FSTWLKHYOAGKQD-DOTOQJQBSA-N 2 0 328.497 2.085 10 0 EEAERP C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000085393895 296088414 /nfs/dbraw/zinc/08/84/14/296088414.db2.gz RUWNBTVDSITQQS-SJLPKXTDSA-N 2 0 348.535 2.435 10 0 EEAERP CCC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C ZINC000451414795 243106203 /nfs/dbraw/zinc/10/62/03/243106203.db2.gz DSEPIJSNTVWLHL-IAGOWNOFSA-N 2 0 341.540 2.264 10 0 EEAERP CCOC(=O)C1CCC(O)(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000190916447 256003899 /nfs/dbraw/zinc/00/38/99/256003899.db2.gz ZIPLKVDJKAVMON-TVRKMHQQSA-N 2 0 340.508 2.277 10 0 EEAERP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnn4ccccc34)CC2)CC1 ZINC000271207823 256220513 /nfs/dbraw/zinc/22/05/13/256220513.db2.gz KTFDXSUWEOGTNS-UHFFFAOYSA-N 2 0 341.503 2.325 10 0 EEAERP Cc1[nH+]c2ccccc2c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1C ZINC000273275481 256283440 /nfs/dbraw/zinc/28/34/40/256283440.db2.gz CIIVALRLJFFXEH-UHFFFAOYSA-N 2 0 340.471 2.452 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000276054609 256398732 /nfs/dbraw/zinc/39/87/32/256398732.db2.gz AQDRJPIHIGRVCX-LPHOPBHVSA-N 2 0 346.519 2.415 10 0 EEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000262610045 152296493 /nfs/dbraw/zinc/29/64/93/152296493.db2.gz BNNVIQZVPROITH-WMLDXEAASA-N 2 0 348.491 2.070 10 0 EEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262660687 152301956 /nfs/dbraw/zinc/30/19/56/152301956.db2.gz XMCHEKPBNXZWGF-RDTXWAMCSA-N 2 0 333.476 2.203 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091333059 159205690 /nfs/dbraw/zinc/20/56/90/159205690.db2.gz MOVCYFNHEHHYPR-CQSZACIVSA-N 2 0 339.505 2.107 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190494000 160161587 /nfs/dbraw/zinc/16/15/87/160161587.db2.gz QDGYNRLLRRJXTJ-NSHGMRRFSA-N 2 0 337.552 2.418 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000247073200 160308571 /nfs/dbraw/zinc/30/85/71/160308571.db2.gz GQNRJQWYTSSGJM-SJORKVTESA-N 2 0 347.507 2.362 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000247993678 160336004 /nfs/dbraw/zinc/33/60/04/160336004.db2.gz JRBMIMRBPMCVJE-FFZOFVMBSA-N 2 0 332.488 2.447 10 0 EEAERP CCOc1cccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000341592688 161000149 /nfs/dbraw/zinc/00/01/49/161000149.db2.gz XVTPUWSOTOSEIE-OAHLLOKOSA-N 2 0 345.487 2.479 10 0 EEAERP CN(C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000341882310 161021042 /nfs/dbraw/zinc/02/10/42/161021042.db2.gz KSHISUFCAFHUKY-LEWJYISDSA-N 2 0 343.515 2.446 10 0 EEAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000359361934 164120345 /nfs/dbraw/zinc/12/03/45/164120345.db2.gz AWYFQBVSEPIYHE-FUHWJXTLSA-N 2 0 333.451 2.454 10 0 EEAERP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000364734897 165253209 /nfs/dbraw/zinc/25/32/09/165253209.db2.gz ABHJZFHFTDMZBH-SFHVURJKSA-N 2 0 327.472 2.205 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)[C@@H]2CCC[C@@H]21 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C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)c1cccs1 ZINC000416442415 313224721 /nfs/dbraw/zinc/22/47/21/313224721.db2.gz XQCOPICJXNJTJN-AWEZNQCLSA-N 2 0 336.505 2.136 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416812289 313322624 /nfs/dbraw/zinc/32/26/24/313322624.db2.gz DPUMOBYBMLEJJI-VQIMIIECSA-N 2 0 346.475 2.202 10 0 EEAERP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416891433 313351568 /nfs/dbraw/zinc/35/15/68/313351568.db2.gz JXPOCRFNETZFEG-UHFFFAOYSA-N 2 0 332.492 2.409 10 0 EEAERP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+]1CCCC1 ZINC000416941605 313368007 /nfs/dbraw/zinc/36/80/07/313368007.db2.gz AJHXWYQVRXFRDL-BZSNNMDCSA-N 2 0 336.524 2.280 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000417636376 313552368 /nfs/dbraw/zinc/55/23/68/313552368.db2.gz XRRIALPOPSQUNB-YQQAZPJKSA-N 2 0 332.492 2.413 10 0 EEAERP [NH3+]C[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C1CCCC1 ZINC000418601741 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330.476 2.162 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000565181725 319158087 /nfs/dbraw/zinc/15/80/87/319158087.db2.gz PMWWKTZZVKVHCE-QGZVFWFLSA-N 2 0 341.499 2.378 10 0 EEAERP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000574912148 320070479 /nfs/dbraw/zinc/07/04/79/320070479.db2.gz SBJCFOFNSFABEM-NHYWBVRUSA-N 2 0 349.372 2.151 10 0 EEAERP CN(CC[N@H+](C)C1CCN(C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298291631 465356973 /nfs/dbraw/zinc/35/69/73/465356973.db2.gz HGVKVBSROYIHQA-NRFANRHFSA-N 2 0 344.547 2.219 10 0 EEAERP CC(C)C[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000578984122 468289784 /nfs/dbraw/zinc/28/97/84/468289784.db2.gz DDYOCDVQZKOHGL-LJQANCHMSA-N 2 0 344.503 2.375 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113601975 462605918 /nfs/dbraw/zinc/60/59/18/462605918.db2.gz LBMQUGGSHLVQQQ-IKGGRYGDSA-N 2 0 336.524 2.375 10 0 EEAERP CCc1ccc(-c2noc(C[NH2+]CC3CC[NH+](CCO)CC3)n2)cc1 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344.503 2.218 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261727272 463840418 /nfs/dbraw/zinc/84/04/18/463840418.db2.gz GRXMTJRMRJOTOA-DZGCQCFKSA-N 2 0 335.414 2.109 10 0 EEAERP CO[C@H](C)c1nc(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261899290 463892636 /nfs/dbraw/zinc/89/26/36/463892636.db2.gz HLBNSFWTFBCURV-FAAHXZRKSA-N 2 0 325.478 2.097 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000174264454 464385188 /nfs/dbraw/zinc/38/51/88/464385188.db2.gz NUPBSEZDECDZRN-KSZLIROESA-N 2 0 348.535 2.399 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000245959314 464530703 /nfs/dbraw/zinc/53/07/03/464530703.db2.gz XVOFBQZEOFFMIA-ZIFCJYIRSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000246378397 464577644 /nfs/dbraw/zinc/57/76/44/464577644.db2.gz ZGFYCEPLOJZJNJ-JYSRZZCRSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000246404482 464580100 /nfs/dbraw/zinc/58/01/00/464580100.db2.gz KLIVBVZSUGQVQL-OAGGEKHMSA-N 2 0 326.529 2.334 10 0 EEAERP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000285506073 464588420 /nfs/dbraw/zinc/58/84/20/464588420.db2.gz YADZHUUTDBEYMO-KDURUIRLSA-N 2 0 345.487 2.008 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000175766929 464620092 /nfs/dbraw/zinc/62/00/92/464620092.db2.gz BYAOWVVHNQQJGQ-LJQANCHMSA-N 2 0 348.535 2.400 10 0 EEAERP COC(=O)[C@H]1CC12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000597011402 468416510 /nfs/dbraw/zinc/41/65/10/468416510.db2.gz WEPFUWDQGJJAGW-MRXNPFEDSA-N 2 0 326.400 2.042 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000176299332 464742154 /nfs/dbraw/zinc/74/21/54/464742154.db2.gz YRAMBNKGSIMWSW-ROUUACIJSA-N 2 0 333.451 2.391 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393933 464746759 /nfs/dbraw/zinc/74/67/59/464746759.db2.gz XLKNAFNTNFPRSW-CABCVRRESA-N 2 0 347.459 2.122 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000176368286 464758751 /nfs/dbraw/zinc/75/87/51/464758751.db2.gz MQQSNNFFGRBWJH-GJZGRUSLSA-N 2 0 338.521 2.477 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000276091601 464805982 /nfs/dbraw/zinc/80/59/82/464805982.db2.gz KJADAANUTQIMKQ-GOSISDBHSA-N 2 0 334.508 2.143 10 0 EEAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2Cl)CCN1C ZINC000177061316 464919975 /nfs/dbraw/zinc/91/99/75/464919975.db2.gz KBDFQTHUPWNSJD-ILXRZTDVSA-N 2 0 326.868 2.494 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000250625243 464930712 /nfs/dbraw/zinc/93/07/12/464930712.db2.gz QAHYQZJTMJCLFU-LSDHHAIUSA-N 2 0 336.505 2.278 10 0 EEAERP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000569121770 468444539 /nfs/dbraw/zinc/44/45/39/468444539.db2.gz AYDRTDNYUYCOLT-XPYUAMARSA-N 2 0 346.519 2.432 10 0 EEAERP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000340299452 465967606 /nfs/dbraw/zinc/96/76/06/465967606.db2.gz HDTIJRDTISLMPW-ZWKOTPCHSA-N 2 0 330.476 2.167 10 0 EEAERP CC(C)[NH+](CC1(C[N@@H+](C(C)C)[C@H]2CCOC2)COC1)[C@H]1CCOC1 ZINC000361408599 465970118 /nfs/dbraw/zinc/97/01/18/465970118.db2.gz OUXHQEOLVOQDFX-ROUUACIJSA-N 2 0 340.508 2.002 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OC)n2)[C@H](C)C1 ZINC000361925643 466413476 /nfs/dbraw/zinc/41/34/76/466413476.db2.gz ITUVEJWOAXEOCP-SJLPKXTDSA-N 2 0 335.492 2.359 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(=O)NCC[NH+](C)C ZINC000347226145 466492350 /nfs/dbraw/zinc/49/23/50/466492350.db2.gz MEYBUZSSQWTGQC-MSOLQXFVSA-N 2 0 335.467 2.495 10 0 EEAERP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000368715955 466696542 /nfs/dbraw/zinc/69/65/42/466696542.db2.gz QIOQCAJPPPRWNN-QZTJIDSGSA-N 2 0 348.466 2.307 10 0 EEAERP 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ZINC000631196823 470090452 /nfs/dbraw/zinc/09/04/52/470090452.db2.gz VOIPLQDOEVBHTH-HOJAQTOUSA-N 2 0 331.504 2.065 10 0 EEAERP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698096 470280731 /nfs/dbraw/zinc/28/07/31/470280731.db2.gz AFSBHGMZZALZLB-UXHICEINSA-N 2 0 332.488 2.284 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)CC[N@@H+]1C ZINC000633096124 470349248 /nfs/dbraw/zinc/34/92/48/470349248.db2.gz BBLUOULDZUMEBE-QXCFHYIPSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813447 470355445 /nfs/dbraw/zinc/35/54/45/470355445.db2.gz BEYXLVSAHPLECP-XLIONFOSSA-N 2 0 348.487 2.133 10 0 EEAERP COc1cncc(/C=C\CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000645828566 470432173 /nfs/dbraw/zinc/43/21/73/470432173.db2.gz XNZYIZDFKFIFKW-ORUDLHBZSA-N 2 0 344.503 2.205 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645951167 470472993 /nfs/dbraw/zinc/47/29/93/470472993.db2.gz DVZZYHLBBBRQFP-HOTGVXAUSA-N 2 0 332.492 2.405 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccncc1Cl ZINC000646858202 470757013 /nfs/dbraw/zinc/75/70/13/470757013.db2.gz RHDLEGLCUJYOKI-UHFFFAOYSA-N 2 0 340.899 2.010 10 0 EEAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(OC)c1 ZINC000650713686 470948876 /nfs/dbraw/zinc/94/88/76/470948876.db2.gz ZUSCRGXSCZFJKM-CYBMUJFWSA-N 2 0 335.448 2.140 10 0 EEAERP C[N@@H+]1C[C@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000644840515 471062223 /nfs/dbraw/zinc/06/22/23/471062223.db2.gz KQLBLBFWVNIBEV-UYAOXDASSA-N 2 0 329.488 2.297 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000640941586 471129732 /nfs/dbraw/zinc/12/97/32/471129732.db2.gz QTRJMKXYFJPTLH-WMZOPIPTSA-N 2 0 336.524 2.282 10 0 EEAERP Nc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000645195656 471171362 /nfs/dbraw/zinc/17/13/62/471171362.db2.gz UVGMYAQYTNNDFL-GUYCJALGSA-N 2 0 327.476 2.391 10 0 EEAERP Cc1cn2c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)nc2s1 ZINC000657572743 471172839 /nfs/dbraw/zinc/17/28/39/471172839.db2.gz DGOGZYOTKQUAJJ-ZDUSSCGKSA-N 2 0 337.537 2.374 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000652118542 471238217 /nfs/dbraw/zinc/23/82/17/471238217.db2.gz KETLIFYEFBRRIF-UHFFFAOYSA-N 2 0 332.492 2.470 10 0 EEAERP FCC1(CF)CC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657863438 471242416 /nfs/dbraw/zinc/24/24/16/471242416.db2.gz ITZXZOMYVVPFEW-UHFFFAOYSA-N 2 0 338.446 2.271 10 0 EEAERP CCN(C(=O)NCCC1(C[NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652237669 471260399 /nfs/dbraw/zinc/26/03/99/471260399.db2.gz YTLCOHCFPILFHY-SFHVURJKSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc2n(n1)CCC2 ZINC000658070084 471264210 /nfs/dbraw/zinc/26/42/10/471264210.db2.gz KXMKSVXNGQVNAA-HNNXBMFYSA-N 2 0 332.492 2.371 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000652290684 471267865 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0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000660903171 471544548 /nfs/dbraw/zinc/54/45/48/471544548.db2.gz MXRWNFLNAOHACF-ZCNNSNEGSA-N 2 0 334.504 2.146 10 0 EEAERP [NH3+]C[C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000659368924 471595617 /nfs/dbraw/zinc/59/56/17/471595617.db2.gz QEWQAMJXEQIONL-QZTJIDSGSA-N 2 0 325.412 2.029 10 0 EEAERP CC[C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000659433402 471625806 /nfs/dbraw/zinc/62/58/06/471625806.db2.gz DAXNURQMLGHIRE-RTBURBONSA-N 2 0 346.519 2.496 10 0 EEAERP COc1ccc(C(C)C)cc1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000653493278 471638936 /nfs/dbraw/zinc/63/89/36/471638936.db2.gz QLZICVPWGZBWQA-UHFFFAOYSA-N 2 0 333.476 2.024 10 0 EEAERP C[C@@]1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCC[N@@H+]1Cc1ccccc1 ZINC000659483641 471650652 /nfs/dbraw/zinc/65/06/52/471650652.db2.gz CJCAWCFUPGEKKV-SYYJFZTOSA-N 2 0 342.487 2.174 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000664292005 471707410 /nfs/dbraw/zinc/70/74/10/471707410.db2.gz KONGSTSLVBNJTG-MRXNPFEDSA-N 2 0 338.883 2.146 10 0 EEAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2COCCO2)cc1 ZINC000656407882 471711444 /nfs/dbraw/zinc/71/14/44/471711444.db2.gz UOLASNCYCDXDPJ-QSUVIHHLSA-N 2 0 342.483 2.244 10 0 EEAERP [NH3+][C@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000656466374 471725022 /nfs/dbraw/zinc/72/50/22/471725022.db2.gz DULVDSOBNOPSQB-JSGCOSHPSA-N 2 0 336.237 2.013 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2F)CC2CC2)C1 ZINC000656792742 471843122 /nfs/dbraw/zinc/84/31/22/471843122.db2.gz XEJVSBXLRGBHMS-INIZCTEOSA-N 2 0 333.451 2.235 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654307811 471903249 /nfs/dbraw/zinc/90/32/49/471903249.db2.gz KJGSELIHZMNFSJ-MSOLQXFVSA-N 2 0 345.487 2.374 10 0 EEAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000665234860 471976394 /nfs/dbraw/zinc/97/63/94/471976394.db2.gz KZZGTZCMWGHLSR-HRCADAONSA-N 2 0 328.522 2.102 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC2CC[NH+](C3CC3)CC2)cc1F ZINC000665259330 471982513 /nfs/dbraw/zinc/98/25/13/471982513.db2.gz BXZIBXFVNTVCQK-HKUYNNGSSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)(C)CC(C)(C)[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665294503 471993726 /nfs/dbraw/zinc/99/37/26/471993726.db2.gz PZSWCKJINNTYIL-UHFFFAOYSA-N 2 0 349.523 2.410 10 0 EEAERP c1ccc2c(c1)CCN2CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260791 472047875 /nfs/dbraw/zinc/04/78/75/472047875.db2.gz QFXAZYKYQNOWRL-IBGZPJMESA-N 2 0 341.499 2.282 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662325079 472071921 /nfs/dbraw/zinc/07/19/21/472071921.db2.gz HTYWJGMKMUOOGM-GOSISDBHSA-N 2 0 349.475 2.066 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662452890 472113753 /nfs/dbraw/zinc/11/37/53/472113753.db2.gz QKKPSWMQRMGNEU-KBPBESRZSA-N 2 0 334.464 2.134 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000668545154 472169257 /nfs/dbraw/zinc/16/92/57/472169257.db2.gz MZEOIVSCRSFBIF-LJQANCHMSA-N 2 0 347.503 2.066 10 0 EEAERP C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662689762 472208482 /nfs/dbraw/zinc/20/84/82/472208482.db2.gz XLJGCGFBMLXYGF-FCEWJHQRSA-N 2 0 345.487 2.227 10 0 EEAERP O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1([NH2+]C2CC2)CCC1 ZINC000662818936 472265786 /nfs/dbraw/zinc/26/57/86/472265786.db2.gz GCASERCIBUMACJ-PKOBYXMFSA-N 2 0 339.483 2.394 10 0 EEAERP CC1(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]CC1 ZINC000668813993 472279311 /nfs/dbraw/zinc/27/93/11/472279311.db2.gz VETZINFMXRYJRU-UHFFFAOYSA-N 2 0 330.476 2.224 10 0 EEAERP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000662868327 472283775 /nfs/dbraw/zinc/28/37/75/472283775.db2.gz CSLRPKHCYOPQHK-BMGDILEWSA-N 2 0 333.476 2.035 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1CCC[NH2+]1 ZINC000668864764 472302812 /nfs/dbraw/zinc/30/28/12/472302812.db2.gz RCGYLATZHGVXNM-SFHVURJKSA-N 2 0 330.476 2.224 10 0 EEAERP CCN(C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000666139723 472320989 /nfs/dbraw/zinc/32/09/89/472320989.db2.gz TUDHXWITKQWZDJ-MRXNPFEDSA-N 2 0 348.491 2.493 10 0 EEAERP Fc1ccc([C@@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)C2CC2)cc1 ZINC000678685520 485480131 /nfs/dbraw/zinc/48/01/31/485480131.db2.gz IIPCLZFZPKUDRD-UXHICEINSA-N 2 0 347.478 2.273 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000673865378 485562031 /nfs/dbraw/zinc/56/20/31/485562031.db2.gz VJIXYZDXTVSSMB-BBRMVZONSA-N 2 0 328.420 2.214 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000629571050 485735909 /nfs/dbraw/zinc/73/59/09/485735909.db2.gz INVWARWCBWFGJX-UHFFFAOYSA-N 2 0 338.839 2.100 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@H](C)C1 ZINC000415947830 527749202 /nfs/dbraw/zinc/74/92/02/527749202.db2.gz SXISSMQKJUAZRL-RHSMWYFYSA-N 2 0 334.464 2.218 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000171904967 528271835 /nfs/dbraw/zinc/27/18/35/528271835.db2.gz QDFQXSAKMFXSMC-HZPDHXFCSA-N 2 0 334.464 2.152 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000190061448 528439153 /nfs/dbraw/zinc/43/91/53/528439153.db2.gz PPAVNMFXBDJRGE-ZWKOTPCHSA-N 2 0 332.492 2.415 10 0 EEAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@H]1CCC[NH2+]C1 ZINC000261948592 682559737 /nfs/dbraw/zinc/55/97/37/682559737.db2.gz NPBAAPAIAJSCEN-FPOVZHCZSA-N 3 0 345.531 2.363 10 0 EEAERP C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C[NH+]1CCCC1 ZINC000914243992 683412063 /nfs/dbraw/zinc/41/20/63/683412063.db2.gz YCHXCZTUNNLDAJ-AEFFLSMTSA-N 2 0 347.507 2.106 10 0 EEAERP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000898599525 693391109 /nfs/dbraw/zinc/39/11/09/693391109.db2.gz PBCQFDFPJFLCMZ-SFHVURJKSA-N 2 0 331.460 2.041 10 0 EEAERP C[C@H](CCC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485715043 1191906347 /nfs/dbraw/zinc/90/63/47/1191906347.db2.gz RKPJVVPMCBECTI-YPMHNXCESA-N 2 0 344.912 2.265 10 0 EEAERP CN(C)c1ccccc1C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485762648 1191936723 /nfs/dbraw/zinc/93/67/23/1191936723.db2.gz GMVUKOFLJODXPA-UHFFFAOYSA-N 2 0 346.519 2.127 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccnc(Cl)c1 ZINC001266428120 1176522353 /nfs/dbraw/zinc/52/23/53/1176522353.db2.gz KXUFLQPGNXQPBE-OAHLLOKOSA-N 2 0 338.883 2.015 10 0 EEAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF)C12CC[NH+](CC1)C2 ZINC001266653828 1177064518 /nfs/dbraw/zinc/06/45/18/1177064518.db2.gz WMGFWMOSDCJADV-ALOPSCKCSA-N 2 0 337.483 2.334 10 0 EEAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266702154 1177228137 /nfs/dbraw/zinc/22/81/37/1177228137.db2.gz QLHBBDKTKVJKIS-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CCOCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001692016975 1177681675 /nfs/dbraw/zinc/68/16/75/1177681675.db2.gz QCAJEDVAFRUTSQ-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCCC1CCOCC1 ZINC001266968959 1177944931 /nfs/dbraw/zinc/94/49/31/1177944931.db2.gz XLGKVHYBYKCHHC-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001267043883 1178140177 /nfs/dbraw/zinc/14/01/77/1178140177.db2.gz FBZBRAIJOYJAOW-NVXWUHKLSA-N 2 0 325.472 2.191 10 0 EEAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCCF)C1)C1CC[NH+](CC2CC2)CC1 ZINC001267092274 1178222980 /nfs/dbraw/zinc/22/29/80/1178222980.db2.gz ZICHUMNKPUPFOT-ROUUACIJSA-N 2 0 339.499 2.485 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267109988 1178265815 /nfs/dbraw/zinc/26/58/15/1178265815.db2.gz ORUCXZPBUFJBEN-HZPDHXFCSA-N 2 0 335.467 2.289 10 0 EEAERP CC(C)COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267112858 1178270311 /nfs/dbraw/zinc/27/03/11/1178270311.db2.gz ADKCRBQDSWXVPK-ROUUACIJSA-N 2 0 341.540 2.168 10 0 EEAERP COc1cccc(Cl)c1C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001267116377 1178278832 /nfs/dbraw/zinc/27/88/32/1178278832.db2.gz AAJDCPFIYSMOGC-UHFFFAOYSA-N 2 0 341.883 2.237 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](C)C ZINC001267180239 1178437548 /nfs/dbraw/zinc/43/75/48/1178437548.db2.gz XQJZOFLGRGTJOD-IRXDYDNUSA-N 2 0 336.480 2.184 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001267373450 1178887395 /nfs/dbraw/zinc/88/73/95/1178887395.db2.gz VXVFNESTVWLVHG-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267373567 1178888678 /nfs/dbraw/zinc/88/86/78/1178888678.db2.gz FFQPQPUSSLAHOR-LJQANCHMSA-N 2 0 329.488 2.139 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)C)o1 ZINC001267500892 1179192116 /nfs/dbraw/zinc/19/21/16/1179192116.db2.gz FSWWHKHVRGWHOC-GOSISDBHSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001481055940 1179642438 /nfs/dbraw/zinc/64/24/38/1179642438.db2.gz DSVLKEDTARVAEJ-ZWKOTPCHSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC001481057545 1179648027 /nfs/dbraw/zinc/64/80/27/1179648027.db2.gz HYGYXGAATYDNMF-CRAIPNDOSA-N 2 0 333.451 2.248 10 0 EEAERP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)cc1C ZINC001481071541 1179681567 /nfs/dbraw/zinc/68/15/67/1179681567.db2.gz RPTXBUADYWXFGQ-GOSISDBHSA-N 2 0 347.503 2.424 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267795102 1180543134 /nfs/dbraw/zinc/54/31/34/1180543134.db2.gz VEBPMDKDIDANEM-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001481314800 1181010375 /nfs/dbraw/zinc/01/03/75/1181010375.db2.gz MCSKGOIRHIGNBU-WEBJUUICSA-N 2 0 345.487 2.098 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268094332 1181731980 /nfs/dbraw/zinc/73/19/80/1181731980.db2.gz NRGWOTKWQYXRNV-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC001268151431 1181839464 /nfs/dbraw/zinc/83/94/64/1181839464.db2.gz PHISJQROXISJHY-AEFFLSMTSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1ccccc1C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481630475 1181946784 /nfs/dbraw/zinc/94/67/84/1181946784.db2.gz KAONROALNFTFSG-IBGZPJMESA-N 2 0 329.488 2.417 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccccc1 ZINC001268219031 1182030882 /nfs/dbraw/zinc/03/08/82/1182030882.db2.gz LIWRHVYXXBRORW-RBUKOAKNSA-N 2 0 331.504 2.444 10 0 EEAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268252682 1182082491 /nfs/dbraw/zinc/08/24/91/1182082491.db2.gz DZCOGTDXATWDIL-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481753201 1182546918 /nfs/dbraw/zinc/54/69/18/1182546918.db2.gz QDHMVEIHOKVBGU-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001481773945 1182667430 /nfs/dbraw/zinc/66/74/30/1182667430.db2.gz GFDWWQRGHJCLFH-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001481773866 1182684659 /nfs/dbraw/zinc/68/46/59/1182684659.db2.gz DZNIADQPXAVZRU-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001481867500 1182837793 /nfs/dbraw/zinc/83/77/93/1182837793.db2.gz CLJIRJKWJMUGBY-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481975903 1183071638 /nfs/dbraw/zinc/07/16/38/1183071638.db2.gz BREJHUWMCZNNPS-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001481989221 1183095621 /nfs/dbraw/zinc/09/56/21/1183095621.db2.gz XMUQWWLGFMQHLC-HKUYNNGSSA-N 2 0 346.519 2.386 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]Cc3ccccc3)CC2)C1 ZINC001482007416 1183129474 /nfs/dbraw/zinc/12/94/74/1183129474.db2.gz CMRYREVZXYSSHA-LJQANCHMSA-N 2 0 329.488 2.357 10 0 EEAERP O=C(N1CCC(CC[NH2+]C/C=C/Cl)CC1)C12CC[NH+](CC1)C2 ZINC001482007903 1183129695 /nfs/dbraw/zinc/12/96/95/1183129695.db2.gz RZFJKNWZHFVYSM-LREOWRDNSA-N 2 0 325.884 2.053 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001268540038 1183204096 /nfs/dbraw/zinc/20/40/96/1183204096.db2.gz ZBUOIIYXGSDVFI-ZOXCZHJPSA-N 2 0 341.499 2.141 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001268540861 1183208488 /nfs/dbraw/zinc/20/84/88/1183208488.db2.gz ATVZNMHFZDWLIJ-SWTGODCJSA-N 2 0 335.879 2.442 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268576968 1183324554 /nfs/dbraw/zinc/32/45/54/1183324554.db2.gz XUEHSLLJVOPYJD-CHABLROBSA-N 2 0 331.460 2.112 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001268587744 1183386344 /nfs/dbraw/zinc/38/63/44/1183386344.db2.gz KYDBREHNRFRPJL-AXMVSILFSA-N 2 0 345.462 2.417 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001268609084 1183517717 /nfs/dbraw/zinc/51/77/17/1183517717.db2.gz PGXBIRWWCLQEFF-ARJAWSKDSA-N 2 0 345.487 2.189 10 0 EEAERP CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001268617095 1183533554 /nfs/dbraw/zinc/53/35/54/1183533554.db2.gz MIGPJXWNEPCNAQ-HQYUYXFKSA-N 2 0 333.451 2.415 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCCc2ccccc2Cl)C1 ZINC001268626142 1183545168 /nfs/dbraw/zinc/54/51/68/1183545168.db2.gz MYCNLKLPYPULBO-CHYADLBTSA-N 2 0 349.906 2.486 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001268670075 1183597707 /nfs/dbraw/zinc/59/77/07/1183597707.db2.gz SADLPDUSTLQRFE-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001268746184 1183664965 /nfs/dbraw/zinc/66/49/65/1183664965.db2.gz MBLVBSCTIGYUHV-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCOC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268802750 1183720969 /nfs/dbraw/zinc/72/09/69/1183720969.db2.gz VZRJFWQAIRARNE-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001482203945 1183943490 /nfs/dbraw/zinc/94/34/90/1183943490.db2.gz ZEMJFRODAVRQIO-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001269147090 1184002091 /nfs/dbraw/zinc/00/20/91/1184002091.db2.gz DOSIXGDKUSMYDQ-MJSXRHKHSA-N 2 0 339.443 2.428 10 0 EEAERP CC(C)OCCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001269709243 1184539229 /nfs/dbraw/zinc/53/92/29/1184539229.db2.gz UAKSBBDUZXUQJJ-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001270092006 1184840038 /nfs/dbraw/zinc/84/00/38/1184840038.db2.gz UOTOOUDVXZQTSD-MCFICARUSA-N 2 0 345.834 2.214 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482285424 1185069613 /nfs/dbraw/zinc/06/96/13/1185069613.db2.gz VXQJBHZRSPDPDG-CQSZACIVSA-N 2 0 336.480 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCOCC)C2)C1 ZINC001270625164 1185239595 /nfs/dbraw/zinc/23/95/95/1185239595.db2.gz VOYUTHMOYVNTMH-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1conc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001482431955 1185698536 /nfs/dbraw/zinc/69/85/36/1185698536.db2.gz DJHABUGPWZBTNK-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1nccs1 ZINC001482498846 1186406025 /nfs/dbraw/zinc/40/60/25/1186406025.db2.gz BMHHTMRQXDZESQ-GJZGRUSLSA-N 2 0 338.521 2.200 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)cn1 ZINC001482532080 1186531153 /nfs/dbraw/zinc/53/11/53/1186531153.db2.gz DUGWJMUYEHGRCW-JKSUJKDBSA-N 2 0 347.507 2.061 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554560 1186716662 /nfs/dbraw/zinc/71/66/62/1186716662.db2.gz VLWFEMFYZAZMMH-APWZRJJASA-N 2 0 349.494 2.440 10 0 EEAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482854645 1187776802 /nfs/dbraw/zinc/77/68/02/1187776802.db2.gz MRWBNPRXCBLEQK-OAHLLOKOSA-N 2 0 329.448 2.411 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001482865494 1187785543 /nfs/dbraw/zinc/78/55/43/1187785543.db2.gz JRXQKSWROVGAFH-HNNXBMFYSA-N 2 0 332.492 2.025 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001482875612 1187794755 /nfs/dbraw/zinc/79/47/55/1187794755.db2.gz WNUGITSWVPEOCH-JSGCOSHPSA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001482903308 1187828531 /nfs/dbraw/zinc/82/85/31/1187828531.db2.gz ZHYRDDJZMNLUBY-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001482903283 1187828633 /nfs/dbraw/zinc/82/86/33/1187828633.db2.gz YRSMCRXDPKGLJA-ZBFHGGJFSA-N 2 0 338.521 2.248 10 0 EEAERP CCc1nocc1C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482944001 1187869394 /nfs/dbraw/zinc/86/93/94/1187869394.db2.gz RMEUUVSXEVTNBA-UHFFFAOYSA-N 2 0 336.480 2.050 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001483009046 1187991327 /nfs/dbraw/zinc/99/13/27/1187991327.db2.gz BXFWQYRMBRLQTD-RURPWVQCSA-N 2 0 329.488 2.364 10 0 EEAERP CN(CC[NH2+]CCc1ccns1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691619650 1188320311 /nfs/dbraw/zinc/32/03/11/1188320311.db2.gz VPVYTWSLGCRSOT-UHFFFAOYSA-N 2 0 346.500 2.109 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)CC1 ZINC001483055431 1188328672 /nfs/dbraw/zinc/32/86/72/1188328672.db2.gz YNQMCWHDRNYNPM-PLNGDYQASA-N 2 0 349.906 2.486 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnc(C)s1 ZINC001272822907 1193562105 /nfs/dbraw/zinc/56/21/05/1193562105.db2.gz ISIBHCUKVJUOGJ-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)c1c(F)cccc1F ZINC001483093091 1188459946 /nfs/dbraw/zinc/45/99/46/1188459946.db2.gz NHOFZCUMRREKQB-PUWCWTCHSA-N 2 0 337.414 2.240 10 0 EEAERP C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1c(F)cccc1F ZINC001483093085 1188460107 /nfs/dbraw/zinc/46/01/07/1188460107.db2.gz NHOFZCUMRREKQB-KBIGUFJUSA-N 2 0 337.414 2.240 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001272828776 1193566545 /nfs/dbraw/zinc/56/65/45/1193566545.db2.gz DAJVMWWJBFCZSC-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483140917 1188701637 /nfs/dbraw/zinc/70/16/37/1188701637.db2.gz PKSQHNZESHYUJK-NVXWUHKLSA-N 2 0 333.476 2.082 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001483228580 1189542965 /nfs/dbraw/zinc/54/29/65/1189542965.db2.gz KLMQBAFZTYCEIH-PXNSSMCTSA-N 2 0 343.515 2.364 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1F ZINC001485875507 1193627208 /nfs/dbraw/zinc/62/72/08/1193627208.db2.gz PGAHGZSWOMCIST-CRAIPNDOSA-N 2 0 347.478 2.147 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC001483232594 1189612370 /nfs/dbraw/zinc/61/23/70/1189612370.db2.gz DWVRXVUAYLCJPE-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001485920009 1193640079 /nfs/dbraw/zinc/64/00/79/1193640079.db2.gz PRHSGTANYCZGRE-KRWDZBQOSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCc1ccc(Cl)cc1 ZINC001485956192 1193648327 /nfs/dbraw/zinc/64/83/27/1193648327.db2.gz UZAHVKQNUKSBDY-HNNXBMFYSA-N 2 0 337.895 2.415 10 0 EEAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001485956497 1193648580 /nfs/dbraw/zinc/64/85/80/1193648580.db2.gz XVYDCHJGTQXIOC-QZTJIDSGSA-N 2 0 343.515 2.324 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001486085357 1193677310 /nfs/dbraw/zinc/67/73/10/1193677310.db2.gz QSFUTJDUEQHGAW-WBVHZDCISA-N 2 0 333.476 2.034 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1cncc(F)c1 ZINC001483421485 1190468678 /nfs/dbraw/zinc/46/86/78/1190468678.db2.gz QLJAGGSIIJZTRU-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1csc(C)n1 ZINC001483512047 1190525565 /nfs/dbraw/zinc/52/55/65/1190525565.db2.gz NLNMFVNWOWYYAU-MRXNPFEDSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccc(F)c(F)c1 ZINC001483586179 1190571493 /nfs/dbraw/zinc/57/14/93/1190571493.db2.gz OEVDTMQKLBPYKC-YVEFUNNKSA-N 2 0 339.430 2.462 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591566 1190574772 /nfs/dbraw/zinc/57/47/72/1190574772.db2.gz FKEOMQGOLVJYOG-KSSFIOAISA-N 2 0 348.491 2.232 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486122641 1193688039 /nfs/dbraw/zinc/68/80/39/1193688039.db2.gz SXBAOBZZMWCXPN-ZFWWWQNUSA-N 2 0 336.480 2.137 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001272475317 1190840786 /nfs/dbraw/zinc/84/07/86/1190840786.db2.gz OQQRWYYWLADHSM-IAGOWNOFSA-N 2 0 339.499 2.439 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1 ZINC001483767179 1191000594 /nfs/dbraw/zinc/00/05/94/1191000594.db2.gz CHJSRKKFSRTTGE-HZPDHXFCSA-N 2 0 345.487 2.336 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001483767988 1191001862 /nfs/dbraw/zinc/00/18/62/1191001862.db2.gz SWKAMLKYRGWAGQ-DYVFJYSZSA-N 2 0 331.451 2.185 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)Cc3cncn3C)CC2)c1 ZINC001483785073 1191026717 /nfs/dbraw/zinc/02/67/17/1191026717.db2.gz XPIIDYLEHRCDPE-HNNXBMFYSA-N 2 0 326.444 2.271 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001483925137 1191118543 /nfs/dbraw/zinc/11/85/43/1191118543.db2.gz OIXXXWFYHDWSQB-MJGOQNOKSA-N 2 0 345.487 2.049 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484013312 1191155588 /nfs/dbraw/zinc/15/55/88/1191155588.db2.gz SGPXOQXXGARSEU-HOCLYGCPSA-N 2 0 325.472 2.095 10 0 EEAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484093892 1191207700 /nfs/dbraw/zinc/20/77/00/1191207700.db2.gz LRPOUCWGUPAQFT-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncoc1C[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001484166494 1191254196 /nfs/dbraw/zinc/25/41/96/1191254196.db2.gz HUZOEYLDCDXKLX-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H]([NH2+]Cc1cnc(Cl)s1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484349037 1191313306 /nfs/dbraw/zinc/31/33/06/1191313306.db2.gz YMTLUPRNNCSXLC-NWDGAFQWSA-N 2 0 344.912 2.075 10 0 EEAERP CC[C@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484401124 1191335274 /nfs/dbraw/zinc/33/52/74/1191335274.db2.gz GHODNIXWOMAUEW-MSOLQXFVSA-N 2 0 335.467 2.305 10 0 EEAERP COCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001484654738 1191458082 /nfs/dbraw/zinc/45/80/82/1191458082.db2.gz WHDYEYODUIDILN-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001484692769 1191469097 /nfs/dbraw/zinc/46/90/97/1191469097.db2.gz NIMRFAYXRMJEHP-RTBURBONSA-N 2 0 347.503 2.124 10 0 EEAERP CCC1([NH2+]CC(C)C)CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001484812116 1191533105 /nfs/dbraw/zinc/53/31/05/1191533105.db2.gz LTXAKIOUIKWMOV-UHFFFAOYSA-N 2 0 349.523 2.075 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001484928037 1191574115 /nfs/dbraw/zinc/57/41/15/1191574115.db2.gz DITPLCWFXFHQEE-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP CC/C=C\CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001485007369 1191612956 /nfs/dbraw/zinc/61/29/56/1191612956.db2.gz XWCBGALFOWWFHX-XDXAGZTOSA-N 2 0 349.519 2.130 10 0 EEAERP Cc1nocc1C[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485110381 1191657644 /nfs/dbraw/zinc/65/76/44/1191657644.db2.gz HIPWVZHAOAPQQG-VJFUWPCTSA-N 2 0 348.491 2.088 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)sc1C ZINC001485217141 1191689287 /nfs/dbraw/zinc/68/92/87/1191689287.db2.gz QXHDJOUDFBYNOI-VXGBXAGGSA-N 2 0 326.510 2.085 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485205139 1191692729 /nfs/dbraw/zinc/69/27/29/1191692729.db2.gz AXGQGJJEZYJMGV-HOTGVXAUSA-N 2 0 331.504 2.500 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001485315441 1191731039 /nfs/dbraw/zinc/73/10/39/1191731039.db2.gz YURZSVUBZUTZQN-CYBMUJFWSA-N 2 0 338.883 2.156 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CCCCC(F)(F)F ZINC001485348229 1191749714 /nfs/dbraw/zinc/74/97/14/1191749714.db2.gz XLMFNYFWJPBBRC-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001485442006 1191786385 /nfs/dbraw/zinc/78/63/85/1191786385.db2.gz CCSQSMUQVNDTER-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001485464734 1191794738 /nfs/dbraw/zinc/79/47/38/1191794738.db2.gz XOIWSPOGNVDCEI-ZWKOTPCHSA-N 2 0 337.508 2.082 10 0 EEAERP Cc1ncccc1C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001485482902 1191799618 /nfs/dbraw/zinc/79/96/18/1191799618.db2.gz SSASJOVSVAWNRP-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1ncsc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001485484576 1191800547 /nfs/dbraw/zinc/80/05/47/1191800547.db2.gz IQSUGLXNWIIATR-OAHLLOKOSA-N 2 0 347.488 2.209 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@]3(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]23)c1 ZINC001486153182 1193703510 /nfs/dbraw/zinc/70/35/10/1193703510.db2.gz CPDZIJLVWRVNPX-AZUAARDMSA-N 2 0 344.503 2.343 10 0 EEAERP Cc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001486160558 1193706458 /nfs/dbraw/zinc/70/64/58/1193706458.db2.gz OBRARNZWEYNSKL-HKUYNNGSSA-N 2 0 348.491 2.328 10 0 EEAERP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001486165241 1193708600 /nfs/dbraw/zinc/70/86/00/1193708600.db2.gz GEWSVVZGEMNAKH-KZNAEPCWSA-N 2 0 333.520 2.489 10 0 EEAERP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001486249037 1193776198 /nfs/dbraw/zinc/77/61/98/1193776198.db2.gz HTJVVZBXNSCVAA-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486389056 1193907998 /nfs/dbraw/zinc/90/79/98/1193907998.db2.gz IEGZIZYCZXQTRB-IRXDYDNUSA-N 2 0 332.492 2.105 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001486473805 1193987512 /nfs/dbraw/zinc/98/75/12/1193987512.db2.gz FENWWZKSXOXFTJ-WLYUNCDWSA-N 2 0 343.462 2.343 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](CC[C@@H]3CCCO3)CC2)CC1 ZINC001486490323 1194001872 /nfs/dbraw/zinc/00/18/72/1194001872.db2.gz LJRXGMPJKKEDOS-SFHVURJKSA-N 2 0 349.519 2.012 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)ccn2)CC1 ZINC000872023987 1198028089 /nfs/dbraw/zinc/02/80/89/1198028089.db2.gz WVULMMOWDAYREA-GOSISDBHSA-N 2 0 344.503 2.415 10 0 EEAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1)C1CCCC1 ZINC000872158417 1198063724 /nfs/dbraw/zinc/06/37/24/1198063724.db2.gz UZRZABANYGOYDM-QFBILLFUSA-N 2 0 344.503 2.317 10 0 EEAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865070595 1198073616 /nfs/dbraw/zinc/07/36/16/1198073616.db2.gz VKJAQLWMIFDUMI-BVBHFADKSA-N 2 0 342.487 2.002 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001411075235 1198757700 /nfs/dbraw/zinc/75/77/00/1198757700.db2.gz DEPICSHYKBTYGL-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1oncc1C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001411231102 1198941608 /nfs/dbraw/zinc/94/16/08/1198941608.db2.gz BDYINLKNVYVIIX-CQSZACIVSA-N 2 0 336.480 2.040 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001411241165 1198959085 /nfs/dbraw/zinc/95/90/85/1198959085.db2.gz WJYUTKUOYWJONE-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(F)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1F ZINC000870020393 1200410815 /nfs/dbraw/zinc/41/08/15/1200410815.db2.gz OZKZRCSXPAZVQF-ZIAGYGMSSA-N 2 0 339.430 2.085 10 0 EEAERP CN1Cc2ccccc2[C@@H]1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000870979541 1200987678 /nfs/dbraw/zinc/98/76/78/1200987678.db2.gz OGCVAZGSYIVBAA-FQEVSTJZSA-N 2 0 335.451 2.291 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)cn2)CC1 ZINC000866225896 1201470182 /nfs/dbraw/zinc/47/01/82/1201470182.db2.gz GTFIWEAFVQPJFI-AZUAARDMSA-N 2 0 344.503 2.271 10 0 EEAERP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708146 1201585948 /nfs/dbraw/zinc/58/59/48/1201585948.db2.gz DBDDKNHRFHTWNJ-OTWHNJEPSA-N 2 0 343.471 2.252 10 0 EEAERP CN(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000867590690 1201639837 /nfs/dbraw/zinc/63/98/37/1201639837.db2.gz RREFEUDQYAYYLO-HUUCEWRRSA-N 2 0 336.455 2.053 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)CC(C)C ZINC000868352433 1201796340 /nfs/dbraw/zinc/79/63/40/1201796340.db2.gz DQMOZEVQHKZGSO-SQNIBIBYSA-N 2 0 338.540 2.479 10 0 EEAERP COCCN1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886525148 1202518381 /nfs/dbraw/zinc/51/83/81/1202518381.db2.gz YJWYSIZMJQQCNO-TUFLPTIASA-N 2 0 343.515 2.350 10 0 EEAERP CC(C)OCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001274351515 1205005028 /nfs/dbraw/zinc/00/50/28/1205005028.db2.gz RXXWKJVERWEKQU-UHFFFAOYSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCO1)[NH+]1CCCCCC1 ZINC001274412019 1205026142 /nfs/dbraw/zinc/02/61/42/1205026142.db2.gz CCYXCUXYOSWRPS-IFOCYFHOSA-N 2 0 337.508 2.082 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC(F)(F)F)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274431384 1205034018 /nfs/dbraw/zinc/03/40/18/1205034018.db2.gz ZBFSBSWQSYGTIC-FAVCQXFFSA-N 2 0 333.398 2.218 10 0 EEAERP C[C@@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275446055 1205364327 /nfs/dbraw/zinc/36/43/27/1205364327.db2.gz XLFCGXBCGTUXDB-BVWQNDCPSA-N 2 0 335.879 2.399 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275806735 1205542799 /nfs/dbraw/zinc/54/27/99/1205542799.db2.gz PMZQUXLFXWLRDU-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001411870585 1205565297 /nfs/dbraw/zinc/56/52/97/1205565297.db2.gz VFPJJXNFBULHMK-MSOLQXFVSA-N 2 0 333.451 2.153 10 0 EEAERP CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)(c2ccccc2)CC1 ZINC001412362661 1205705342 /nfs/dbraw/zinc/70/53/42/1205705342.db2.gz HPUVFFWFZHKWTB-LJQANCHMSA-N 2 0 341.499 2.347 10 0 EEAERP C[NH+]1CCC(N(Cc2ccco2)C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001412531734 1205751165 /nfs/dbraw/zinc/75/11/65/1205751165.db2.gz ZJFIWALZFJMSNS-OAHLLOKOSA-N 2 0 337.439 2.136 10 0 EEAERP CN(CCC[NH2+]CC[C@@H]1CCCCO1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276168265 1205811178 /nfs/dbraw/zinc/81/11/78/1205811178.db2.gz JWXUIFXIMQNTKM-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000925119317 1206072143 /nfs/dbraw/zinc/07/21/43/1206072143.db2.gz WXKBEYJFEABMRI-FQEVSTJZSA-N 2 0 339.483 2.282 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000925333477 1206099230 /nfs/dbraw/zinc/09/92/30/1206099230.db2.gz FENBXTRKRRJAHF-NVXWUHKLSA-N 2 0 332.492 2.289 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)cn2)CC1 ZINC000925555490 1206127520 /nfs/dbraw/zinc/12/75/20/1206127520.db2.gz CAPPGEMCUUOBRE-ROUUACIJSA-N 3 0 345.535 2.219 10 0 EEAERP COc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)[NH+](C)C)cc1OC ZINC000925623800 1206136789 /nfs/dbraw/zinc/13/67/89/1206136789.db2.gz XBAQQYAUVHKEFR-QGTPRVQTSA-N 2 0 333.476 2.166 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+]C2CC3(C2)COC(C)(C)C3)ccn1 ZINC000925653240 1206140314 /nfs/dbraw/zinc/14/03/14/1206140314.db2.gz KZXUOCZDDDNPMR-UHFFFAOYSA-N 2 0 333.476 2.459 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)C12CCC2 ZINC000925654988 1206140614 /nfs/dbraw/zinc/14/06/14/1206140614.db2.gz SWCNMGJTMUKXEX-QWHCGFSZSA-N 2 0 327.270 2.285 10 0 EEAERP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CCO1 ZINC000925812934 1206156844 /nfs/dbraw/zinc/15/68/44/1206156844.db2.gz DKJPLULVVXSEFP-PMACEKPBSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(-c2ccccc2)nn1C ZINC000925815853 1206157213 /nfs/dbraw/zinc/15/72/13/1206157213.db2.gz AWGXWPCHYJZUSB-HNNXBMFYSA-N 2 0 327.476 2.161 10 0 EEAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833306 1206158285 /nfs/dbraw/zinc/15/82/85/1206158285.db2.gz WFPGPOWCLDCHJT-CZMKXJCESA-N 2 0 326.440 2.423 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839131 1206158736 /nfs/dbraw/zinc/15/87/36/1206158736.db2.gz GDKKNGNLNWLAHE-AFYVEPGGSA-N 3 0 327.472 2.364 10 0 EEAERP CC[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925837481 1206158887 /nfs/dbraw/zinc/15/88/87/1206158887.db2.gz FKUXMAYKYBYZBI-OLZOCXBDSA-N 2 0 327.270 2.255 10 0 EEAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(OC)cc1 ZINC000925852206 1206160883 /nfs/dbraw/zinc/16/08/83/1206160883.db2.gz DZFVKNSIFULFLJ-IAGOWNOFSA-N 2 0 332.444 2.421 10 0 EEAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925903452 1206165895 /nfs/dbraw/zinc/16/58/95/1206165895.db2.gz GBNRXFDUGMBZJY-ZWKOTPCHSA-N 2 0 347.507 2.246 10 0 EEAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1cccnc1 ZINC000925919532 1206168394 /nfs/dbraw/zinc/16/83/94/1206168394.db2.gz OBTIOOUUELTGKY-QGZVFWFLSA-N 2 0 347.507 2.200 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccnn1C1CCC1)C(=O)NCC[NH+](C)C ZINC000925954863 1206174190 /nfs/dbraw/zinc/17/41/90/1206174190.db2.gz QRZRUVDXWCYRMV-WBVHZDCISA-N 2 0 349.523 2.351 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000926101733 1206192094 /nfs/dbraw/zinc/19/20/94/1206192094.db2.gz XPAQXXJUPTWNRW-IEBWSBKVSA-N 2 0 330.476 2.444 10 0 EEAERP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926253554 1206208090 /nfs/dbraw/zinc/20/80/90/1206208090.db2.gz GJSXGOCOUVJZSZ-AWEZNQCLSA-N 2 0 342.281 2.389 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000928446735 1206385134 /nfs/dbraw/zinc/38/51/34/1206385134.db2.gz YJNZSBZNAWYMMZ-HFTRVMKXSA-N 2 0 333.451 2.247 10 0 EEAERP C[N@H+](C[C@H](O)C1(O)CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753460 1206497910 /nfs/dbraw/zinc/49/79/10/1206497910.db2.gz ATOUKUIOLHYWSE-MOPGFXCFSA-N 2 0 332.488 2.106 10 0 EEAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000929771624 1206500522 /nfs/dbraw/zinc/50/05/22/1206500522.db2.gz QXZDZGXZZUXSGZ-KRWDZBQOSA-N 2 0 330.538 2.331 10 0 EEAERP c1ccc(C[N@@H+]2CC[C@H](N3CCC([NH+]4CCCOCC4)CC3)C2)cc1 ZINC000931287599 1206622160 /nfs/dbraw/zinc/62/21/60/1206622160.db2.gz SKZCJFOVLQHGDP-NRFANRHFSA-N 2 0 343.515 2.448 10 0 EEAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000931479892 1207392702 /nfs/dbraw/zinc/39/27/02/1207392702.db2.gz FVYKIKBZTZPLHO-OAHLLOKOSA-N 2 0 347.286 2.415 10 0 EEAERP COc1ncc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c2ccccc21 ZINC000931479987 1207392933 /nfs/dbraw/zinc/39/29/33/1207392933.db2.gz IPDFYNHOJOCTGH-UHFFFAOYSA-N 2 0 329.444 2.132 10 0 EEAERP COc1cccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1C ZINC001490852660 1209767353 /nfs/dbraw/zinc/76/73/53/1209767353.db2.gz RJTODHBPONNZQR-SFHVURJKSA-N 2 0 347.503 2.426 10 0 EEAERP NC(=O)CC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000718560252 1212461697 /nfs/dbraw/zinc/46/16/97/1212461697.db2.gz RNOVTVANDBSFGC-ZBABMDLNSA-N 2 0 327.472 2.283 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CCC[NH2+]Cc1oc(C(C)C)nc1C ZINC001276353881 1213897735 /nfs/dbraw/zinc/89/77/35/1213897735.db2.gz XQKPQAKANBTJJV-UHFFFAOYSA-N 2 0 347.463 2.319 10 0 EEAERP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276333180 1215753826 /nfs/dbraw/zinc/75/38/26/1215753826.db2.gz PNXSNOMVVPYPAD-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)C12CC[NH+](CC1)C2 ZINC000900437116 1234353992 /nfs/dbraw/zinc/35/39/92/1234353992.db2.gz SSCOVIOUUNJYCS-UHFFFAOYSA-N 2 0 331.485 2.270 10 0 EEAERP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900604628 1234551069 /nfs/dbraw/zinc/55/10/69/1234551069.db2.gz FFIKQLUEWDYXPT-KRWDZBQOSA-N 2 0 344.459 2.131 10 0 EEAERP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000902740633 1238366088 /nfs/dbraw/zinc/36/60/88/1238366088.db2.gz YLMMWFVONVXAOY-IHPCNDPISA-N 2 0 345.531 2.488 10 0 EEAERP CC[NH+]1CCN(CCC[NH2+][C@@H](CC(C)C)C2CCOCC2)CC1 ZINC000902745626 1238382457 /nfs/dbraw/zinc/38/24/57/1238382457.db2.gz RSKIREAHGNBIRQ-IBGZPJMESA-N 2 0 325.541 2.445 10 0 EEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903088706 1239701910 /nfs/dbraw/zinc/70/19/10/1239701910.db2.gz LZHVDRYBVRKJSN-AQNXPRMDSA-N 2 0 330.472 2.089 10 0 EEAERP CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439348 1240476119 /nfs/dbraw/zinc/47/61/19/1240476119.db2.gz GVJIERQKWDHKAB-HIFRSBDPSA-N 2 0 343.393 2.381 10 0 EEAERP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496726 1240674162 /nfs/dbraw/zinc/67/41/62/1240674162.db2.gz AFFYIAZWOMTSKW-IAGOWNOFSA-N 2 0 344.503 2.450 10 0 EEAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000903733900 1241769268 /nfs/dbraw/zinc/76/92/68/1241769268.db2.gz SFDGRVFZGRYWRY-UXHICEINSA-N 3 0 335.536 2.343 10 0 EEAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958230 1242724005 /nfs/dbraw/zinc/72/40/05/1242724005.db2.gz XJXAPRUKJCGCAL-JSGCOSHPSA-N 2 0 328.403 2.469 10 0 EEAERP C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903963898 1242753614 /nfs/dbraw/zinc/75/36/14/1242753614.db2.gz JBVZXZHLPAXZEQ-UHIISALHSA-N 2 0 340.265 2.364 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@H+](Cc2ccccn2)CC(C)C)cnn1C ZINC000903988242 1242888650 /nfs/dbraw/zinc/88/86/50/1242888650.db2.gz PNCVUUZAEKAHGN-QGZVFWFLSA-N 2 0 329.492 2.399 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491157568 1258733999 /nfs/dbraw/zinc/73/39/99/1258733999.db2.gz QQEGLMOCTVDOBQ-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491181881 1258746909 /nfs/dbraw/zinc/74/69/09/1258746909.db2.gz RUYRXVXAPLBONR-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001491180359 1258752561 /nfs/dbraw/zinc/75/25/61/1258752561.db2.gz RRSIDMARSJFONC-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CC(C)COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001491212951 1258787114 /nfs/dbraw/zinc/78/71/14/1258787114.db2.gz FLBOVPKZQXEWPW-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491250628 1258844166 /nfs/dbraw/zinc/84/41/66/1258844166.db2.gz MZLNMMUIJIYHPC-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2cnc(C)o2)C1 ZINC001491296265 1258912087 /nfs/dbraw/zinc/91/20/87/1258912087.db2.gz MWAOKXJSRRJNAE-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001491297917 1258921496 /nfs/dbraw/zinc/92/14/96/1258921496.db2.gz AQNDODOVRRNAOT-QZTJIDSGSA-N 2 0 344.503 2.203 10 0 EEAERP C[N@H+](CC(=O)NC1CCC([NH2+]Cc2cncs2)CC1)C1CCC1 ZINC001491351469 1258992780 /nfs/dbraw/zinc/99/27/80/1258992780.db2.gz GVGSYRURJDEQAF-UHFFFAOYSA-N 2 0 336.505 2.144 10 0 EEAERP COC(=O)N(C)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000850548228 1277263353 /nfs/dbraw/zinc/26/33/53/1277263353.db2.gz ZSCLLOIRZSKVNN-INIZCTEOSA-N 2 0 333.476 2.370 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN([C@H]3CCOC3)CC2)n(C)n1 ZINC000850554377 1277266052 /nfs/dbraw/zinc/26/60/52/1277266052.db2.gz CUTLYCMIPAJZOX-XKGZKEIXSA-N 2 0 346.519 2.283 10 0 EEAERP CCc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483240471 1277864747 /nfs/dbraw/zinc/86/47/47/1277864747.db2.gz POGSUBUVAVWFRQ-AWEZNQCLSA-N 2 0 348.491 2.016 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273716817 1283976240 /nfs/dbraw/zinc/97/62/40/1283976240.db2.gz VKESMBQVPBYKOG-INIZCTEOSA-N 2 0 340.537 2.284 10 0 EEAERP Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)cc1 ZINC001489202143 1290444804 /nfs/dbraw/zinc/44/48/04/1290444804.db2.gz DLDIMGCNYPAQPL-UXHICEINSA-N 2 0 343.515 2.270 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760635 1292189222 /nfs/dbraw/zinc/18/92/22/1292189222.db2.gz JVYVCYGCTIHJIQ-ZWKOTPCHSA-N 2 0 347.459 2.054 10 0 EEAERP CCc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549899 1296329613 /nfs/dbraw/zinc/32/96/13/1296329613.db2.gz TUFMUGLJJJNVIB-MSOLQXFVSA-N 2 0 329.444 2.006 10 0 EEAERP C[C@H](CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000863643538 1296361217 /nfs/dbraw/zinc/36/12/17/1296361217.db2.gz NJPOWHDJECBFGW-LZQZEXGQSA-N 2 0 343.471 2.437 10 0 EEAERP Cn1nccc1[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000927126948 1297027336 /nfs/dbraw/zinc/02/73/36/1297027336.db2.gz PEYJJHSVXOWCHW-JPLJXNOCSA-N 2 0 340.471 2.096 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001277092536 1301235861 /nfs/dbraw/zinc/23/58/61/1301235861.db2.gz GCIWMLJYWZSMGJ-SHTZXODSSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277186741 1301722589 /nfs/dbraw/zinc/72/25/89/1301722589.db2.gz MBXDSEOXOBRKDN-QFBILLFUSA-N 2 0 344.503 2.106 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001277328073 1302435382 /nfs/dbraw/zinc/43/53/82/1302435382.db2.gz GHVYUIRTFXYXKO-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCOC(C)C ZINC001277450478 1303115083 /nfs/dbraw/zinc/11/50/83/1303115083.db2.gz XDZUMTMIFBWZSS-HDICACEKSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001277955820 1305297379 /nfs/dbraw/zinc/29/73/79/1305297379.db2.gz CBQQSRYHORMTDP-LPHOPBHVSA-N 2 0 347.503 2.103 10 0 EEAERP C[NH+]1CCC(CC(=O)N[C@@]2(C)CC[N@H+](CCCCCF)C2)CC1 ZINC001278427290 1310222499 /nfs/dbraw/zinc/22/24/99/1310222499.db2.gz QSCHOKZRPDRCRO-SFHVURJKSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404631 1315592211 /nfs/dbraw/zinc/59/22/11/1315592211.db2.gz KDRRPJZFWXZEQY-AEFFLSMTSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@]1(C[NH2+]CC[C@H]2CCCO2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278519565 1317127134 /nfs/dbraw/zinc/12/71/34/1317127134.db2.gz SKAPQQSCNLHIAQ-IEBWSBKVSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001278817711 1318200732 /nfs/dbraw/zinc/20/07/32/1318200732.db2.gz TVVFSPSAMPMVEP-IAGOWNOFSA-N 2 0 341.540 2.096 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001264126154 1322635771 /nfs/dbraw/zinc/63/57/71/1322635771.db2.gz RRZFWCSKHZIFRB-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001264678093 1322779656 /nfs/dbraw/zinc/77/96/56/1322779656.db2.gz OVZCFHSSXLNTCV-JKSUJKDBSA-N 2 0 333.467 2.387 10 0 EEAERP C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265058110 1322898918 /nfs/dbraw/zinc/89/89/18/1322898918.db2.gz IKDQQRZSXRFOII-WEVVVXLNSA-N 2 0 327.472 2.234 10 0 EEAERP CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001265083874 1322912015 /nfs/dbraw/zinc/91/20/15/1322912015.db2.gz UUWWNQCUQZHKQW-AEFFLSMTSA-N 2 0 349.523 2.218 10 0 EEAERP CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001265091475 1322915915 /nfs/dbraw/zinc/91/59/15/1322915915.db2.gz GZIVOBJFPOOAIG-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCCCF)C1)[NH+]1CCCC1 ZINC001265319713 1323067847 /nfs/dbraw/zinc/06/78/47/1323067847.db2.gz QEQGCFZQSBPOHQ-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)CCOC(C)C)ccc2c[nH+]cn21 ZINC001265880142 1323451511 /nfs/dbraw/zinc/45/15/11/1323451511.db2.gz CQAGNUGDSXWWMN-UHFFFAOYSA-N 2 0 332.448 2.119 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001266170586 1323739015 /nfs/dbraw/zinc/73/90/15/1323739015.db2.gz WTFHYYJYJXQWQF-MJGOQNOKSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266173305 1323741182 /nfs/dbraw/zinc/74/11/82/1323741182.db2.gz YKEAKFFKVXIRMF-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCCCCF ZINC001279124640 1323836528 /nfs/dbraw/zinc/83/65/28/1323836528.db2.gz NGWPQOJHMDALKO-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CCc3nccn3C)C[C@H]2C1 ZINC001279381140 1323891977 /nfs/dbraw/zinc/89/19/77/1323891977.db2.gz WFCGULDCUVODBP-PSUYNTKASA-N 2 0 330.476 2.099 10 0 EEAERP Cc1ncccc1C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001279676289 1323977100 /nfs/dbraw/zinc/97/71/00/1323977100.db2.gz YTAMXXGQMWLSAO-IBGZPJMESA-N 2 0 344.503 2.225 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)sn1 ZINC001280172731 1324103207 /nfs/dbraw/zinc/10/32/07/1324103207.db2.gz IMCOZKJYIMRFBU-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001276552576 1324278609 /nfs/dbraw/zinc/27/86/09/1324278609.db2.gz KZUQBQRTGBCRPP-UXHICEINSA-N 2 0 343.515 2.370 10 0 EEAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001282307239 1325683627 /nfs/dbraw/zinc/68/36/27/1325683627.db2.gz VDUHYBSDWZBGPH-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282995848 1325873360 /nfs/dbraw/zinc/87/33/60/1325873360.db2.gz FOXMIZWTHJTULL-OSECFARBSA-N 2 0 333.520 2.465 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001284641756 1326643666 /nfs/dbraw/zinc/64/36/66/1326643666.db2.gz LAFXHKWEYQBXCG-QGZVFWFLSA-N 2 0 341.540 2.264 10 0 EEAERP COCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001284719515 1326681173 /nfs/dbraw/zinc/68/11/73/1326681173.db2.gz PEPMGUFWPFTDKI-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CCOC(C)C)CC1 ZINC001284921620 1326776738 /nfs/dbraw/zinc/77/67/38/1326776738.db2.gz VYBTXXXROSXDKY-GOSISDBHSA-N 2 0 337.508 2.034 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001491751306 1330242086 /nfs/dbraw/zinc/24/20/86/1330242086.db2.gz AQXNVLQQJBORLO-KRWDZBQOSA-N 2 0 337.895 2.415 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891011 1330291584 /nfs/dbraw/zinc/29/15/84/1330291584.db2.gz HNZDSADDWQTGTN-UYEGUDHTSA-N 2 0 346.302 2.418 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001492046463 1330419903 /nfs/dbraw/zinc/41/99/03/1330419903.db2.gz LLWASYDPLPIQAG-GFCCVEGCSA-N 2 0 341.415 2.237 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2sc(C[NH2+]CCC3CC3)nc2C1 ZINC001316805426 1331902604 /nfs/dbraw/zinc/90/26/04/1331902604.db2.gz ACWQSJSAFMWYLY-OAHLLOKOSA-N 2 0 348.516 2.012 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cncc(F)c1 ZINC001316827264 1331917978 /nfs/dbraw/zinc/91/79/78/1331917978.db2.gz PIPBGKMSLCWWKY-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001317118866 1332086369 /nfs/dbraw/zinc/08/63/69/1332086369.db2.gz ZVCNOTWATJHKFS-SOLBZPMBSA-N 2 0 337.508 2.057 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001317154196 1332102609 /nfs/dbraw/zinc/10/26/09/1332102609.db2.gz UMOPBXKEVIXUKS-INIZCTEOSA-N 2 0 325.472 2.050 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001317239664 1332148488 /nfs/dbraw/zinc/14/84/88/1332148488.db2.gz CYVLCLPCUIUQMV-ROUUACIJSA-N 2 0 347.503 2.341 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001317647215 1332346769 /nfs/dbraw/zinc/34/67/69/1332346769.db2.gz SXIFSCZUHLWBMO-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1 ZINC001317664580 1332358732 /nfs/dbraw/zinc/35/87/32/1332358732.db2.gz KJIIGKQFONXDBP-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317985200 1332457476 /nfs/dbraw/zinc/45/74/76/1332457476.db2.gz QQNWHCMOVLIPLX-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001318936760 1332626199 /nfs/dbraw/zinc/62/61/99/1332626199.db2.gz BVTSBRDYMSUKLZ-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001318938347 1332626658 /nfs/dbraw/zinc/62/66/58/1332626658.db2.gz SQHDSLJFLZZGPM-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001318975170 1332630931 /nfs/dbraw/zinc/63/09/31/1332630931.db2.gz AEXBFWGCFHFXON-IYARVYRRSA-N 2 0 339.524 2.160 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC001318989450 1332633537 /nfs/dbraw/zinc/63/35/37/1332633537.db2.gz XNHSEMFICDQXNH-RBUKOAKNSA-N 2 0 345.487 2.056 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001319735501 1332753857 /nfs/dbraw/zinc/75/38/57/1332753857.db2.gz GDUMWEMWGCJPEB-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338356 1333078067 /nfs/dbraw/zinc/07/80/67/1333078067.db2.gz RGPCNLAZDSQCBU-MPNWYJEXSA-N 2 0 331.435 2.245 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F)C12CC[NH+](CC1)C2 ZINC001321339334 1333078597 /nfs/dbraw/zinc/07/85/97/1333078597.db2.gz UOSQCWXKLITARU-YLSAJCSVSA-N 2 0 341.446 2.170 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001322335941 1333249451 /nfs/dbraw/zinc/24/94/51/1333249451.db2.gz HGVQRNVGGLQBBB-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP COc1ccc(C[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC001322722195 1333314065 /nfs/dbraw/zinc/31/40/65/1333314065.db2.gz AEXOQOMLXJVTJZ-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP CCOCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001324555879 1333707989 /nfs/dbraw/zinc/70/79/89/1333707989.db2.gz CBRCOXWTIVSGRP-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001324796907 1333761769 /nfs/dbraw/zinc/76/17/69/1333761769.db2.gz DQTIXZCQWYZKTD-SJLPKXTDSA-N 2 0 327.488 2.437 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001325029366 1333814279 /nfs/dbraw/zinc/81/42/79/1333814279.db2.gz UJNXKMHQFACFJX-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325396122 1333879035 /nfs/dbraw/zinc/87/90/35/1333879035.db2.gz HNJPCESMBCNGPO-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]([NH2+]Cc1ccns1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455485 1333889700 /nfs/dbraw/zinc/88/97/00/1333889700.db2.gz LPRUACOYWBUELH-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP Cn1cncc1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001325916940 1333993298 /nfs/dbraw/zinc/99/32/98/1333993298.db2.gz ATYXNZMAKILVEL-DLBZAZTESA-N 2 0 336.455 2.168 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326410790 1334087425 /nfs/dbraw/zinc/08/74/25/1334087425.db2.gz CRTFGORESLGIMO-ZWKOTPCHSA-N 2 0 347.478 2.496 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC001326433770 1334093291 /nfs/dbraw/zinc/09/32/91/1334093291.db2.gz YMGJCDHAZKKBQQ-OALUTQOASA-N 2 0 347.478 2.436 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001326433794 1334093297 /nfs/dbraw/zinc/09/32/97/1334093297.db2.gz YVRVPAZZWPHXAY-LJQANCHMSA-N 2 0 329.488 2.419 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001327034619 1334208382 /nfs/dbraw/zinc/20/83/82/1334208382.db2.gz MIMKANGWYVWCRX-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CC3=CCCCC3)CCOCC2)CC1 ZINC001327655718 1334328613 /nfs/dbraw/zinc/32/86/13/1334328613.db2.gz GIVORHYXWKGVST-UHFFFAOYSA-N 2 0 349.519 2.084 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001330687055 1334887162 /nfs/dbraw/zinc/88/71/62/1334887162.db2.gz WBBXUSBLMCHODM-RFFVGKEASA-N 2 0 339.483 2.280 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1coc(C2CC2)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330767127 1334898545 /nfs/dbraw/zinc/89/85/45/1334898545.db2.gz CDKLVKFPEZWYJT-XJKSGUPXSA-N 2 0 334.464 2.021 10 0 EEAERP COc1cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)ccc1C ZINC001330771285 1334899889 /nfs/dbraw/zinc/89/98/89/1334899889.db2.gz ZSLMCRJQUQNZLJ-SJLPKXTDSA-N 2 0 347.503 2.472 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001331613552 1335045705 /nfs/dbraw/zinc/04/57/05/1335045705.db2.gz CWONKRIZQQSKLI-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001331614389 1335045815 /nfs/dbraw/zinc/04/58/15/1335045815.db2.gz XACMXACFPKQSLH-CJNGLKHVSA-N 2 0 340.899 2.258 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCC[NH+](C)C ZINC001332031713 1335710547 /nfs/dbraw/zinc/71/05/47/1335710547.db2.gz YSIOEVSXKIYNTJ-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332793217 1335908242 /nfs/dbraw/zinc/90/82/42/1335908242.db2.gz VWXZADQTJKPKPB-HOTGVXAUSA-N 2 0 327.513 2.016 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001332901419 1335927684 /nfs/dbraw/zinc/92/76/84/1335927684.db2.gz YYECPDXLEQBVDZ-GFCCVEGCSA-N 2 0 325.419 2.400 10 0 EEAERP CC[N@@H+]1CCN(c2nnc(C(C)C)n2CC[NH+]2CC=CCC2)C[C@H]1C ZINC001615851938 1352325498 /nfs/dbraw/zinc/32/54/98/1352325498.db2.gz ZGUPPNGVRQENCB-QGZVFWFLSA-N 2 0 346.523 2.194 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC001434243578 1341804105 /nfs/dbraw/zinc/80/41/05/1341804105.db2.gz LMZMOWGDLVYGRP-YSIASYRMSA-N 2 0 329.488 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668614304 1355972995 /nfs/dbraw/zinc/97/29/95/1355972995.db2.gz SMFKRMKWVKGBNU-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001436377115 1342059706 /nfs/dbraw/zinc/05/97/06/1342059706.db2.gz DHRVODAFNGLHCL-KKUMJFAQSA-N 2 0 343.462 2.391 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001436391044 1342068248 /nfs/dbraw/zinc/06/82/48/1342068248.db2.gz ODLGZTXXGSMJLK-JCNLHEQBSA-N 2 0 335.467 2.460 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2c(C)nsc2C)C1 ZINC001500275248 1342128384 /nfs/dbraw/zinc/12/83/84/1342128384.db2.gz QVOGUMMIPKYLRA-KRWDZBQOSA-N 2 0 338.521 2.182 10 0 EEAERP C[C@H]([NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001501480226 1342190293 /nfs/dbraw/zinc/19/02/93/1342190293.db2.gz ILZRLYIIECCTCP-KRWDZBQOSA-N 2 0 347.503 2.033 10 0 EEAERP O=C(NCC[C@H](Cc1ccccc1)[NH2+]CCF)[C@@]12CC[N@H+](C1)CCC2 ZINC001507389535 1342319253 /nfs/dbraw/zinc/31/92/53/1342319253.db2.gz NINKVPJHJISDBQ-QUCCMNQESA-N 2 0 347.478 2.149 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001565828935 1342564598 /nfs/dbraw/zinc/56/45/98/1342564598.db2.gz UOCNFGMAAQAXLV-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567102851 1342694732 /nfs/dbraw/zinc/69/47/32/1342694732.db2.gz REINYZLIXRAJTM-FQEVSTJZSA-N 2 0 343.515 2.460 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCCC(F)(F)F ZINC001567234986 1342713826 /nfs/dbraw/zinc/71/38/26/1342713826.db2.gz CIVUOJJYXWURBP-CYBMUJFWSA-N 2 0 335.414 2.299 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676017885 1357089242 /nfs/dbraw/zinc/08/92/42/1357089242.db2.gz DBINLUSPRVRGAF-VXGBXAGGSA-N 2 0 344.912 2.123 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676019068 1357090642 /nfs/dbraw/zinc/09/06/42/1357090642.db2.gz ZQYSMCFLZITXKC-IUODEOHRSA-N 2 0 338.521 2.086 10 0 EEAERP COCCCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001569649755 1342917593 /nfs/dbraw/zinc/91/75/93/1342917593.db2.gz NEAXIEPOBVAZPK-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C2)C1 ZINC001570012910 1342999232 /nfs/dbraw/zinc/99/92/32/1342999232.db2.gz AFVXCKDRWQELCJ-WIGWJDOSSA-N 2 0 348.318 2.475 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001571393108 1343202621 /nfs/dbraw/zinc/20/26/21/1343202621.db2.gz JGWVXUVHMDUEKS-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001571625173 1343254745 /nfs/dbraw/zinc/25/47/45/1343254745.db2.gz XXNGJMWEMQZHMH-INIZCTEOSA-N 2 0 341.540 2.408 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCCOC)C(C)(C)C1 ZINC001677042309 1357267590 /nfs/dbraw/zinc/26/75/90/1357267590.db2.gz BNKUGCXDWLCFJM-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001649433884 1353501647 /nfs/dbraw/zinc/50/16/47/1353501647.db2.gz NRBSZIXFXBKQBG-GJGSYKPXSA-N 2 0 333.520 2.465 10 0 EEAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001656211077 1354215399 /nfs/dbraw/zinc/21/53/99/1354215399.db2.gz YEIYWFPTVBURIF-SHTZXODSSA-N 2 0 327.432 2.165 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001656453994 1354239490 /nfs/dbraw/zinc/23/94/90/1354239490.db2.gz PXPCNRBLOUEHTQ-QAPCUYQASA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCc1ccccc1 ZINC001660145100 1354402952 /nfs/dbraw/zinc/40/29/52/1354402952.db2.gz ASQHZZPMBZBFPS-IBGZPJMESA-N 2 0 329.488 2.009 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@H]1CCCCO1 ZINC001660552921 1354488308 /nfs/dbraw/zinc/48/83/08/1354488308.db2.gz AQVKDHVHZUONJU-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001660794645 1354540023 /nfs/dbraw/zinc/54/00/23/1354540023.db2.gz TXWBMZLYDGEFKR-UHFFFAOYSA-N 2 0 336.480 2.138 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC001661157745 1354599040 /nfs/dbraw/zinc/59/90/40/1354599040.db2.gz WUJXWEPSWITZDH-RTBURBONSA-N 2 0 329.488 2.198 10 0 EEAERP COCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001661866719 1354713893 /nfs/dbraw/zinc/71/38/93/1354713893.db2.gz SNLDJXGWGFYTHP-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001662219926 1354764695 /nfs/dbraw/zinc/76/46/95/1354764695.db2.gz RHGSRSYLCMEKEH-APWZRJJASA-N 2 0 329.488 2.055 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001662319510 1354780248 /nfs/dbraw/zinc/78/02/48/1354780248.db2.gz JRLJPEDJNIILJZ-RYUDHWBXSA-N 2 0 336.307 2.006 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001662711142 1354829797 /nfs/dbraw/zinc/82/97/97/1354829797.db2.gz HBGOXDMEXKXCCT-LJQANCHMSA-N 2 0 341.499 2.153 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001663099295 1354914207 /nfs/dbraw/zinc/91/42/07/1354914207.db2.gz UPOPOLNUJAFKBW-ANOSYLROSA-N 2 0 327.900 2.442 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)Cc1ccnc(Cl)c1 ZINC001663388627 1354956360 /nfs/dbraw/zinc/95/63/60/1354956360.db2.gz DIRNSVXDFQWHGH-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP COCc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001664142133 1355100450 /nfs/dbraw/zinc/10/04/50/1355100450.db2.gz FNDAVVZDKSWCFQ-LPHOPBHVSA-N 2 0 347.503 2.111 10 0 EEAERP CC(C)COCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001665921246 1355409525 /nfs/dbraw/zinc/40/95/25/1355409525.db2.gz FFTIYRXWJAANHQ-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001666263033 1355498997 /nfs/dbraw/zinc/49/89/97/1355498997.db2.gz FAPIEBKCCGLBEW-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)CCO1 ZINC001666729283 1355578423 /nfs/dbraw/zinc/57/84/23/1355578423.db2.gz HJJPBPQGMBAHIV-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ncc(C)o1 ZINC001667296995 1355702914 /nfs/dbraw/zinc/70/29/14/1355702914.db2.gz XMTUNYPXONJBRW-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001667306970 1355705397 /nfs/dbraw/zinc/70/53/97/1355705397.db2.gz NGOBDNDDKMTDLJ-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668088212 1355867461 /nfs/dbraw/zinc/86/74/61/1355867461.db2.gz WAQAFAPEAATKOM-LPHOPBHVSA-N 2 0 344.503 2.473 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nccs2)C1 ZINC001668178781 1355892158 /nfs/dbraw/zinc/89/21/58/1355892158.db2.gz LXMFKDKCXSSSGF-GJZGRUSLSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668235075 1355905606 /nfs/dbraw/zinc/90/56/06/1355905606.db2.gz XELBAGVRDNDSHG-HOCLYGCPSA-N 2 0 336.480 2.232 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668426276 1355938999 /nfs/dbraw/zinc/93/89/99/1355938999.db2.gz FFUHNROPIQUASP-INIZCTEOSA-N 2 0 336.480 2.102 10 0 EEAERP CCN(CCNCc1nc2ccccc2o1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435690 1355940085 /nfs/dbraw/zinc/94/00/85/1355940085.db2.gz OTDATQQSOXWKGC-HUUCEWRRSA-N 2 0 344.459 2.106 10 0 EEAERP O=C(NC/C=C\C[NH2+]C/C=C\Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865548 1356028738 /nfs/dbraw/zinc/02/87/38/1356028738.db2.gz ZVFABVNPJLFELH-JHGAFDPBSA-N 2 0 325.884 2.408 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001669000758 1356064878 /nfs/dbraw/zinc/06/48/78/1356064878.db2.gz DZCFKZKLZLKSAF-MMUANNJHSA-N 2 0 347.478 2.361 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001669002282 1356065314 /nfs/dbraw/zinc/06/53/14/1356065314.db2.gz WZYAFPHCADYFPY-RDFMZFSFSA-N 2 0 329.435 2.026 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001669000958 1356065656 /nfs/dbraw/zinc/06/56/56/1356065656.db2.gz IKXOSONHWMZDBW-XZJTZLQGSA-N 2 0 329.488 2.221 10 0 EEAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001669131721 1356102297 /nfs/dbraw/zinc/10/22/97/1356102297.db2.gz KNIXMVOENUTTCT-IHWYPQMZSA-N 2 0 333.520 2.417 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001669188862 1356120610 /nfs/dbraw/zinc/12/06/10/1356120610.db2.gz JKFYWFVDRCTYDH-NMEQGOOXSA-N 2 0 337.414 2.240 10 0 EEAERP Cc1cccc(C)c1OCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669741716 1356201471 /nfs/dbraw/zinc/20/14/71/1356201471.db2.gz NPJCEZTWBJXIMO-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001670041830 1356265855 /nfs/dbraw/zinc/26/58/55/1356265855.db2.gz JRTCJGVEKIUVGD-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@H]1CCC[N@@H+]1C ZINC001670041873 1356266131 /nfs/dbraw/zinc/26/61/31/1356266131.db2.gz LLEWRRGDNPMMPU-LJQANCHMSA-N 2 0 329.488 2.208 10 0 EEAERP O=C(N1CCC[C@H]1C[NH2+]CCCCCF)C12CCC[NH+]1CCC2 ZINC001671318450 1356328441 /nfs/dbraw/zinc/32/84/41/1356328441.db2.gz KFOCSELOLMDZDG-INIZCTEOSA-N 2 0 325.472 2.335 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001671379025 1356333663 /nfs/dbraw/zinc/33/36/63/1356333663.db2.gz LNJHVNCQWXXYQM-WOJBJXKFSA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]C/C=C/c2ccccc2)C1 ZINC001671779968 1356413126 /nfs/dbraw/zinc/41/31/26/1356413126.db2.gz ONBNXKIOWRUCKC-OSICKASQSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC001672811360 1356590502 /nfs/dbraw/zinc/59/05/02/1356590502.db2.gz YQLORFJGXMTQRG-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698860364 1405117511 /nfs/dbraw/zinc/11/75/11/1405117511.db2.gz NABCROOUVGIIIE-RDJZCZTQSA-N 2 0 335.467 2.147 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001698896909 1405137185 /nfs/dbraw/zinc/13/71/85/1405137185.db2.gz CPBDYDCXQVFGHX-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccnn1C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699111483 1405267432 /nfs/dbraw/zinc/26/74/32/1405267432.db2.gz BXJNNDRIUVZXEK-HNNXBMFYSA-N 2 0 349.523 2.058 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001699259092 1405300067 /nfs/dbraw/zinc/30/00/67/1405300067.db2.gz JPROQRLQKIKJID-IBMJZYDUSA-N 2 0 329.488 2.406 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699261088 1405304586 /nfs/dbraw/zinc/30/45/86/1405304586.db2.gz JDBFIZMUBVEWRK-OJBOGMDESA-N 2 0 349.519 2.225 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccnc1)[NH+]1CCCCCC1 ZINC001699538521 1405377207 /nfs/dbraw/zinc/37/72/07/1405377207.db2.gz AJDVSBZHJOIUAK-KRWDZBQOSA-N 2 0 332.492 2.284 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001699766727 1405475490 /nfs/dbraw/zinc/47/54/90/1405475490.db2.gz IVZPOJDYJYLXHP-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001699843593 1405522854 /nfs/dbraw/zinc/52/28/54/1405522854.db2.gz AAWVDXYPBNKHCL-WMZOPIPTSA-N 2 0 327.488 2.296 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001699855083 1405528873 /nfs/dbraw/zinc/52/88/73/1405528873.db2.gz ZENCUPVQNWXLNP-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCOCC1 ZINC001699880299 1405547051 /nfs/dbraw/zinc/54/70/51/1405547051.db2.gz KZEGKSBXMURRSB-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000921327144 773289776 /nfs/dbraw/zinc/28/97/76/773289776.db2.gz YWLUYSZWOZMAIV-ZAWLATJESA-N 2 0 344.503 2.289 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC000846700585 790438753 /nfs/dbraw/zinc/43/87/53/790438753.db2.gz YGEVROOLAIDYTA-SQNIBIBYSA-N 2 0 337.508 2.140 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000925816885 777967089 /nfs/dbraw/zinc/96/70/89/777967089.db2.gz KYVXHQGHHKWHIH-INIZCTEOSA-N 2 0 338.293 2.449 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817894983 785051803 /nfs/dbraw/zinc/05/18/03/785051803.db2.gz PVWZHTDBHGTQBR-QGTPRVQTSA-N 2 0 331.460 2.045 10 0 EEAERP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000819359347 785520312 /nfs/dbraw/zinc/52/03/12/785520312.db2.gz DWNZRKVLURVJJN-KRWDZBQOSA-N 2 0 327.384 2.175 10 0 EEAERP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000910283763 786613219 /nfs/dbraw/zinc/61/32/19/786613219.db2.gz MXWZTCAYJUMBAL-QGZVFWFLSA-N 2 0 329.488 2.378 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598846 788255040 /nfs/dbraw/zinc/25/50/40/788255040.db2.gz HBWSSKHIIGRDOS-GJZGRUSLSA-N 2 0 327.538 2.050 10 0 EEAERP COCCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001143628661 788687624 /nfs/dbraw/zinc/68/76/24/788687624.db2.gz WDMZUEKGEXNGBY-UHFFFAOYSA-N 2 0 349.475 2.106 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921529211 789041207 /nfs/dbraw/zinc/04/12/07/789041207.db2.gz YTCUHKTZEFMMFT-UHFFFAOYSA-N 2 0 339.915 2.448 10 0 EEAERP O=C1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1cccc(F)c1 ZINC000923313864 789352337 /nfs/dbraw/zinc/35/23/37/789352337.db2.gz LZDORJUBURLHEF-QNBRMCRTSA-N 2 0 345.462 2.391 10 0 EEAERP Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923367756 789444952 /nfs/dbraw/zinc/44/49/52/789444952.db2.gz XGEASJQKXVRQHZ-MAUKXSAKSA-N 2 0 338.879 2.464 10 0 EEAERP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923375640 789457330 /nfs/dbraw/zinc/45/73/30/789457330.db2.gz CWKDAMBCUKKUPU-HNNXBMFYSA-N 2 0 344.377 2.395 10 0 EEAERP C[C@]12C[NH2+]C[C@H]1CN(C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000923426232 789527367 /nfs/dbraw/zinc/52/73/67/789527367.db2.gz OFCZDONUKWJAAV-DETPVDSQSA-N 2 0 345.270 2.274 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000923449646 789579894 /nfs/dbraw/zinc/57/98/94/789579894.db2.gz POIOLPPZOXPRKZ-GOSISDBHSA-N 2 0 326.444 2.202 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1nccn1Cc1ccccc1)CC2 ZINC000923452780 789586604 /nfs/dbraw/zinc/58/66/04/789586604.db2.gz XCYLDDZKIFPLRA-GOSISDBHSA-N 2 0 340.471 2.261 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923509283 789695390 /nfs/dbraw/zinc/69/53/90/789695390.db2.gz PBXBULNQCUBYPC-VXGBXAGGSA-N 2 0 345.365 2.440 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921684443 794598277 /nfs/dbraw/zinc/59/82/77/794598277.db2.gz AKLDEUGBBGTUSQ-QGZVFWFLSA-N 2 0 330.520 2.324 10 0 EEAERP C[C@@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000921686078 794827909 /nfs/dbraw/zinc/82/79/09/794827909.db2.gz NJRDELJTFQDVMH-INIZCTEOSA-N 2 0 333.524 2.051 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001176037954 798326598 /nfs/dbraw/zinc/32/65/98/798326598.db2.gz COOPZGKYBOEDRX-VQIMIIECSA-N 2 0 344.503 2.497 10 0 EEAERP Brc1c[nH]c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000922268080 800164714 /nfs/dbraw/zinc/16/47/14/800164714.db2.gz KUGMHOKJGLVFEE-UHFFFAOYSA-N 2 0 327.270 2.384 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC(F)(F)C1 ZINC001566574981 1125756544 /nfs/dbraw/zinc/75/65/44/1125756544.db2.gz PRBZMOWOHDTDEZ-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001436479263 1087956967 /nfs/dbraw/zinc/95/69/67/1087956967.db2.gz RSZBPRWOWFWRDV-RTWZZBQXSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)[NH+]1CCCCC1 ZINC001436491405 1087987982 /nfs/dbraw/zinc/98/79/82/1087987982.db2.gz TWRZCMUSMOOSHV-IKGGRYGDSA-N 2 0 327.488 2.436 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001436728996 1088199755 /nfs/dbraw/zinc/19/97/55/1088199755.db2.gz CVZUVERWINNDRP-JKSUJKDBSA-N 2 0 341.496 2.427 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]C/C(Cl)=C/Cl)C2CC2)C1 ZINC001436814173 1088404520 /nfs/dbraw/zinc/40/45/20/1088404520.db2.gz XAZYVVOUOOFZFA-GMNVKAOSSA-N 2 0 334.291 2.132 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001436975185 1088669131 /nfs/dbraw/zinc/66/91/31/1088669131.db2.gz IYTXUHRBRJMDST-KFWWJZLASA-N 2 0 331.451 2.391 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)s1 ZINC001437009748 1088785054 /nfs/dbraw/zinc/78/50/54/1088785054.db2.gz ZLFWKCVAMAQSEH-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC001437088571 1089038434 /nfs/dbraw/zinc/03/84/34/1089038434.db2.gz MQZHVRXHFVDQBB-UHFFFAOYSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437161723 1089171353 /nfs/dbraw/zinc/17/13/53/1089171353.db2.gz HBXHJNYIQDDOFA-SWLSCSKDSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001437325274 1089491990 /nfs/dbraw/zinc/49/19/90/1089491990.db2.gz QZEPLKAZJRUUAR-HZPDHXFCSA-N 2 0 336.455 2.078 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(F)cc1 ZINC001437370601 1089609884 /nfs/dbraw/zinc/60/98/84/1089609884.db2.gz HBGJSOVJOZBDDN-KSSFIOAISA-N 2 0 333.451 2.152 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001437418556 1089700315 /nfs/dbraw/zinc/70/03/15/1089700315.db2.gz NNIYMZAWEAGZKR-OAHLLOKOSA-N 2 0 333.451 2.214 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC001437541583 1089992838 /nfs/dbraw/zinc/99/28/38/1089992838.db2.gz OVSOMFPDVHYOEZ-MJGOQNOKSA-N 2 0 346.519 2.367 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC[C@H]1CCCCO1 ZINC001437621580 1090132862 /nfs/dbraw/zinc/13/28/62/1090132862.db2.gz XAXSKYPCOLQSRM-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001438380140 1090863648 /nfs/dbraw/zinc/86/36/48/1090863648.db2.gz VRIOOUQSBLFQCN-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1 ZINC001438447039 1090952116 /nfs/dbraw/zinc/95/21/16/1090952116.db2.gz ZDHROKRBSLEMIZ-UHFFFAOYSA-N 2 0 339.430 2.389 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c(C)n1 ZINC001438501711 1090995647 /nfs/dbraw/zinc/99/56/47/1090995647.db2.gz BABCXSUHKWNAPG-HNNXBMFYSA-N 2 0 344.503 2.169 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001438714279 1091234670 /nfs/dbraw/zinc/23/46/70/1091234670.db2.gz MXOVOSIDPVVJAI-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnc(Cl)s1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445568356 1091345486 /nfs/dbraw/zinc/34/54/86/1091345486.db2.gz DGNDBSTZYPDLOE-RYUDHWBXSA-N 2 0 344.912 2.265 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccn1)C(C)C ZINC001438795882 1091400873 /nfs/dbraw/zinc/40/08/73/1091400873.db2.gz DJZBIVSGJDDIML-MSOLQXFVSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001445655444 1091443596 /nfs/dbraw/zinc/44/35/96/1091443596.db2.gz KTBIGHXNOQIGLA-FUHWJXTLSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)ccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439154978 1091795828 /nfs/dbraw/zinc/79/58/28/1091795828.db2.gz QIIZWCLWPSZYBF-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP CO[C@H](C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001439245787 1091896017 /nfs/dbraw/zinc/89/60/17/1091896017.db2.gz XWEHVGIVTOLLPL-PBWTXFEYSA-N 2 0 347.503 2.199 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)c(C)n1 ZINC001445971854 1091927234 /nfs/dbraw/zinc/92/72/34/1091927234.db2.gz UBLPFNJEERJRGB-LJQANCHMSA-N 2 0 344.503 2.025 10 0 EEAERP Cc1ccc(C)c(OCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001439308964 1091978535 /nfs/dbraw/zinc/97/85/35/1091978535.db2.gz FGJWMLSPWZHVHN-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001446156260 1092203135 /nfs/dbraw/zinc/20/31/35/1092203135.db2.gz IWCSKYPCZYOCSL-SJORKVTESA-N 2 0 349.425 2.285 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1)[NH+](C)C ZINC001446260963 1092397185 /nfs/dbraw/zinc/39/71/85/1092397185.db2.gz MNKBWFOXVKFSBH-SJORKVTESA-N 2 0 333.451 2.392 10 0 EEAERP Cc1cc(C[N@@H+](CC2CC2)C2CCN(C(=O)CC[NH+](C)C)CC2)on1 ZINC001439690083 1092636565 /nfs/dbraw/zinc/63/65/65/1092636565.db2.gz KIORJQJCIVMJNP-UHFFFAOYSA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001439784790 1092741473 /nfs/dbraw/zinc/74/14/73/1092741473.db2.gz UKWFTUZCSAOICK-GJZGRUSLSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1ccc(OCC[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001439804155 1092761259 /nfs/dbraw/zinc/76/12/59/1092761259.db2.gz KQFITNPFUUALDY-UHFFFAOYSA-N 2 0 347.503 2.296 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)n1 ZINC001439856353 1092881008 /nfs/dbraw/zinc/88/10/08/1092881008.db2.gz VDEIBOYEAIEMKH-QRWLVFNGSA-N 2 0 344.503 2.121 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001440219083 1093294864 /nfs/dbraw/zinc/29/48/64/1093294864.db2.gz HXPQLUACNJDBKA-DJIMGWMZSA-N 2 0 327.488 2.341 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001440272553 1093387971 /nfs/dbraw/zinc/38/79/71/1093387971.db2.gz ABSCXXNXUMZPNI-UFHHGWPXSA-N 2 0 346.302 2.132 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001440363104 1093526657 /nfs/dbraw/zinc/52/66/57/1093526657.db2.gz ZNMWBAHQFZRHIW-HZPDHXFCSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCCCCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001440464155 1093684478 /nfs/dbraw/zinc/68/44/78/1093684478.db2.gz GXYNSAPNXQCJLV-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[C@H](C[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)OC ZINC001440470389 1093696955 /nfs/dbraw/zinc/69/69/55/1093696955.db2.gz GPWUCHOYOHZJTA-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[N@H+](C)CCc1ccccc1F)C(=O)C12CC[NH+](CC1)C2 ZINC001440471078 1093698090 /nfs/dbraw/zinc/69/80/90/1093698090.db2.gz VSGCEZLDYHHPEN-UHFFFAOYSA-N 2 0 347.478 2.244 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001440475503 1093703069 /nfs/dbraw/zinc/70/30/69/1093703069.db2.gz SKHRCJDUCLDWCX-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001440478889 1093709695 /nfs/dbraw/zinc/70/96/95/1093709695.db2.gz XKZVNHYKWNLBRY-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001440499489 1093739417 /nfs/dbraw/zinc/73/94/17/1093739417.db2.gz TVULLDOKXICTEI-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001448733092 1093805063 /nfs/dbraw/zinc/80/50/63/1093805063.db2.gz ZRWYJJJSBYXEOL-RDTXWAMCSA-N 2 0 327.488 2.436 10 0 EEAERP CCCOc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001448777709 1093855741 /nfs/dbraw/zinc/85/57/41/1093855741.db2.gz DIXLVCDUDXHXDZ-AEFFLSMTSA-N 2 0 347.503 2.364 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C/C(Cl)=C/Cl)CC1 ZINC001440609116 1093874203 /nfs/dbraw/zinc/87/42/03/1093874203.db2.gz UOBYQXNZCHKEBE-UKVQZPPCSA-N 2 0 334.291 2.370 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440610248 1093874909 /nfs/dbraw/zinc/87/49/09/1093874909.db2.gz NIXYWPZATUDQET-UHFFFAOYSA-N 2 0 349.523 2.195 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1[N@H+](C[C@H]1CCOC1)CC2 ZINC001449014904 1094017585 /nfs/dbraw/zinc/01/75/85/1094017585.db2.gz NUSZVUXNFXYGIA-GGPKGHCWSA-N 2 0 349.519 2.012 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC(F)(F)F)CC2 ZINC001449020104 1094025182 /nfs/dbraw/zinc/02/51/82/1094025182.db2.gz TVCXMVAJFPXDEX-ZFWWWQNUSA-N 2 0 335.414 2.394 10 0 EEAERP CC[NH2+][C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001449028519 1094036800 /nfs/dbraw/zinc/03/68/00/1094036800.db2.gz KPSXJXWWSBFASY-RBUKOAKNSA-N 2 0 329.488 2.055 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)Cc1ccc(F)cc1 ZINC001440921444 1094175753 /nfs/dbraw/zinc/17/57/53/1094175753.db2.gz DMNSDPOJKGWNSC-RDTXWAMCSA-N 2 0 333.451 2.104 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2cccnc2)C1 ZINC001440963938 1094221486 /nfs/dbraw/zinc/22/14/86/1094221486.db2.gz SKJQQUQWTJSCET-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001440986535 1094251171 /nfs/dbraw/zinc/25/11/71/1094251171.db2.gz KEGFKHZQDFFPAZ-NVXWUHKLSA-N 2 0 336.480 2.182 10 0 EEAERP CC[C@H](C(=O)N1CCC([N@H+](C)C[C@@H]2CCOC2)CC1)[NH+](CC)CC ZINC001441389849 1094946176 /nfs/dbraw/zinc/94/61/76/1094946176.db2.gz VFQMYNLZFDFXBU-FUHWJXTLSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)C(C)C)o1 ZINC001441414381 1094995665 /nfs/dbraw/zinc/99/56/65/1094995665.db2.gz FFKVHPLCXXNRDR-MJGOQNOKSA-N 2 0 348.491 2.089 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001441437976 1095050420 /nfs/dbraw/zinc/05/04/20/1095050420.db2.gz IOPBGMIIGJWQSM-DUWFMZAPSA-N 2 0 334.291 2.415 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1Cl ZINC001441658213 1095623821 /nfs/dbraw/zinc/62/38/21/1095623821.db2.gz NJNKSAFYRONVSX-GDBMZVCRSA-N 2 0 337.895 2.271 10 0 EEAERP C[N@H+](CC(=O)NC1CCC([NH2+]Cc2cncc(F)c2)CC1)C1CCC1 ZINC001441729986 1095711910 /nfs/dbraw/zinc/71/19/10/1095711910.db2.gz NJBCZXOZTQIWBU-UHFFFAOYSA-N 2 0 348.466 2.222 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](C[C@H]1CCCOC1)CC2)C1CCC1 ZINC001441850268 1095935751 /nfs/dbraw/zinc/93/57/51/1095935751.db2.gz BASVWQCKPPFJKL-KPFFTGBYSA-N 2 0 349.519 2.011 10 0 EEAERP C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001441920144 1096102715 /nfs/dbraw/zinc/10/27/15/1096102715.db2.gz LAMFVEIHAHJIRM-CQSZACIVSA-N 2 0 346.500 2.155 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001441942576 1096140938 /nfs/dbraw/zinc/14/09/38/1096140938.db2.gz XHSPWLKGRKVDMA-MMCPSDEHSA-N 2 0 327.900 2.440 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001442011226 1096214770 /nfs/dbraw/zinc/21/47/70/1096214770.db2.gz SFPOLKRCAQSCDS-WBMJQRKESA-N 2 0 339.430 2.388 10 0 EEAERP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCC1CCCCC1 ZINC001442048976 1096260870 /nfs/dbraw/zinc/26/08/70/1096260870.db2.gz KPTDXPIOJVZDIX-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001442228569 1096526662 /nfs/dbraw/zinc/52/66/62/1096526662.db2.gz XRRAHDUMBKXMTM-ZIAGYGMSSA-N 2 0 337.430 2.352 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)oc1C ZINC001442289810 1096604313 /nfs/dbraw/zinc/60/43/13/1096604313.db2.gz FADKTXAEFWJBAU-WWGRRREGSA-N 2 0 336.480 2.006 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001442306762 1096622275 /nfs/dbraw/zinc/62/22/75/1096622275.db2.gz OYKZEHQMTRKSRQ-QAPCUYQASA-N 2 0 347.507 2.032 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)sc1C ZINC001442319954 1096638016 /nfs/dbraw/zinc/63/80/16/1096638016.db2.gz LKRVGNPMIHTELX-DOMZBBRYSA-N 2 0 338.521 2.086 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccc(C2CC2)cc1 ZINC001442399017 1096719336 /nfs/dbraw/zinc/71/93/36/1096719336.db2.gz BWAZEOXJAOQJCU-HXUWFJFHSA-N 2 0 341.499 2.454 10 0 EEAERP O=C(NCCN(Cc1ccccn1)C1CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001443016039 1097428049 /nfs/dbraw/zinc/42/80/49/1097428049.db2.gz KIEPGVYNWSFTIN-RBUKOAKNSA-N 2 0 342.487 2.179 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001443629196 1098124117 /nfs/dbraw/zinc/12/41/17/1098124117.db2.gz NARPBCYFSYRPOT-IFXJQAMLSA-N 2 0 345.462 2.203 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001443676559 1098179518 /nfs/dbraw/zinc/17/95/18/1098179518.db2.gz GLJYLXLWZSSUJR-LJQANCHMSA-N 2 0 329.488 2.491 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001444028002 1098546215 /nfs/dbraw/zinc/54/62/15/1098546215.db2.gz FJIXCWVQNSDXPK-WMZOPIPTSA-N 2 0 349.523 2.099 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1)[NH+](C)C ZINC001479476877 1098558261 /nfs/dbraw/zinc/55/82/61/1098558261.db2.gz YGJOVGYOWASRCU-ZNMIVQPWSA-N 2 0 338.521 2.166 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]Cc1ccon1 ZINC001479529833 1098597353 /nfs/dbraw/zinc/59/73/53/1098597353.db2.gz WNUFEFBDSBNOEM-NVXWUHKLSA-N 2 0 336.480 2.123 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1Cc1cccnc1C ZINC001479640615 1098669569 /nfs/dbraw/zinc/66/95/69/1098669569.db2.gz SMTRDSBCDYSXHT-ZWKOTPCHSA-N 2 0 344.503 2.201 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2cnoc2C)C1 ZINC001479691813 1098755395 /nfs/dbraw/zinc/75/53/95/1098755395.db2.gz LRYLFYIUWVDYDT-KRWDZBQOSA-N 2 0 336.480 2.186 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(COC)cc2)[C@@H]1C ZINC001479723260 1098815071 /nfs/dbraw/zinc/81/50/71/1098815071.db2.gz FXFUHMGVJHQHPL-APWZRJJASA-N 2 0 347.503 2.254 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001444311309 1098870670 /nfs/dbraw/zinc/87/06/70/1098870670.db2.gz RSCSTHOMJKSFLI-CXAGYDPISA-N 2 0 335.517 2.240 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001444627477 1099452478 /nfs/dbraw/zinc/45/24/78/1099452478.db2.gz PMCQGVVKGXLAJB-HIFRSBDPSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001480064567 1099594693 /nfs/dbraw/zinc/59/46/93/1099594693.db2.gz BTWISPOCSSNANR-WMZOPIPTSA-N 2 0 348.491 2.088 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)o2)C1 ZINC001480156867 1099729131 /nfs/dbraw/zinc/72/91/31/1099729131.db2.gz OQOSHTWMOPVYQW-WKILWMFISA-N 2 0 342.443 2.030 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480231887 1099857733 /nfs/dbraw/zinc/85/77/33/1099857733.db2.gz HMCXUXPMJKGQSQ-KDURUIRLSA-N 2 0 341.499 2.260 10 0 EEAERP Cc1csc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)n1 ZINC001444943588 1100057828 /nfs/dbraw/zinc/05/78/28/1100057828.db2.gz UOECYJJZTUVMDQ-CQSZACIVSA-N 2 0 326.510 2.022 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480472771 1100280376 /nfs/dbraw/zinc/28/03/76/1100280376.db2.gz BJRJBFYXBCTSGW-DNVCBOLYSA-N 2 0 344.503 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)cc2)C1 ZINC001480521914 1100352269 /nfs/dbraw/zinc/35/22/69/1100352269.db2.gz LYEWXFFKDWLMNM-AEFFLSMTSA-N 2 0 347.503 2.412 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]C/C=C\Cl ZINC001480541272 1100371027 /nfs/dbraw/zinc/37/10/27/1100371027.db2.gz VLVJEILWVIKMHR-BDDCHLTRSA-N 2 0 335.879 2.179 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001480562517 1100405075 /nfs/dbraw/zinc/40/50/75/1100405075.db2.gz QEJYVUNWLITXEI-INIZCTEOSA-N 2 0 346.519 2.413 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001480595836 1100444853 /nfs/dbraw/zinc/44/48/53/1100444853.db2.gz DPPNFTJSZHFNDB-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496208242 1100750368 /nfs/dbraw/zinc/75/03/68/1100750368.db2.gz VWMNGUJTSFNBSP-DOTOQJQBSA-N 2 0 342.487 2.446 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+][C@H](C)c2cnc(C)cn2)CCCC1)[NH+](C)C ZINC001495188513 1100866842 /nfs/dbraw/zinc/86/68/42/1100866842.db2.gz PKLIHRJFUCAMJA-WBVHZDCISA-N 2 0 347.507 2.205 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001496364622 1100957572 /nfs/dbraw/zinc/95/75/72/1100957572.db2.gz UAKQWAOVCZZSDP-FFRPFHMCSA-N 2 0 329.488 2.478 10 0 EEAERP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C2CC2)c(C)o1 ZINC001495280251 1100978789 /nfs/dbraw/zinc/97/87/89/1100978789.db2.gz OGGHQWYYWIZCIH-GOSISDBHSA-N 2 0 348.491 2.008 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@](C)(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001446547838 1101015297 /nfs/dbraw/zinc/01/52/97/1101015297.db2.gz IZGNIHIKEHCRHL-ICSRJNTNSA-N 2 0 329.488 2.417 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001496430408 1101021932 /nfs/dbraw/zinc/02/19/32/1101021932.db2.gz SWNCSXWPMXEMKK-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3cccnc3)C2)CC[N@@H+]1C ZINC001446574219 1101060386 /nfs/dbraw/zinc/06/03/86/1101060386.db2.gz FNIIZLDNXZDGHL-NLWGTHIKSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)on1 ZINC001495360979 1101075776 /nfs/dbraw/zinc/07/57/76/1101075776.db2.gz VUTLFJGACLQTDK-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001495362210 1101077494 /nfs/dbraw/zinc/07/74/94/1101077494.db2.gz FIZCGEWIKGZCJY-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H]1C[C@H](C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)CCO1 ZINC001495495019 1101204274 /nfs/dbraw/zinc/20/42/74/1101204274.db2.gz LBSPDXRZDXPJFC-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001496732734 1101364585 /nfs/dbraw/zinc/36/45/85/1101364585.db2.gz ZBYGZCGXUMCIJF-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001495681844 1101429040 /nfs/dbraw/zinc/42/90/40/1101429040.db2.gz IWRPGJYTJSCGQN-DNVCBOLYSA-N 2 0 346.519 2.415 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)CC[NH+](C)C)CC[C@@H]32)cc1 ZINC001496863806 1101632458 /nfs/dbraw/zinc/63/24/58/1101632458.db2.gz QLCVEILPOXIQBR-OALUTQOASA-N 2 0 329.488 2.370 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCCC1 ZINC001495963761 1101844499 /nfs/dbraw/zinc/84/44/99/1101844499.db2.gz QGWCWECQNQFQKH-DLBZAZTESA-N 2 0 339.524 2.040 10 0 EEAERP CCCC[NH+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001447097264 1101985326 /nfs/dbraw/zinc/98/53/26/1101985326.db2.gz QRBMLJFHKPBIJZ-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CCCC[NH+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001447097263 1101985521 /nfs/dbraw/zinc/98/55/21/1101985521.db2.gz QRBMLJFHKPBIJZ-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)cc1F)N(C)C(=O)CC[NH+](C)C ZINC001496150434 1102140500 /nfs/dbraw/zinc/14/05/00/1102140500.db2.gz QQGDGENYYYWWFP-GFCCVEGCSA-N 2 0 329.847 2.367 10 0 EEAERP CC(C)OCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001447354596 1102511672 /nfs/dbraw/zinc/51/16/72/1102511672.db2.gz MYQZDBXSJMSMFB-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H]1CC[C@@H](C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001497580669 1102695479 /nfs/dbraw/zinc/69/54/79/1102695479.db2.gz WRMTUMIVCZXUDE-DJAVDHGHSA-N 2 0 337.508 2.080 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001497696202 1102921369 /nfs/dbraw/zinc/92/13/69/1102921369.db2.gz DWECQZPPLXDTSV-IEOKLDEVSA-N 2 0 342.487 2.169 10 0 EEAERP CC(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[NH2+]CCO)cc1 ZINC001493877446 1103017899 /nfs/dbraw/zinc/01/78/99/1103017899.db2.gz AFGJFKBEDOHEJV-RBUKOAKNSA-N 2 0 347.503 2.034 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2c3ccccc3CC[NH+]2CCCF)C1 ZINC001447704012 1103140889 /nfs/dbraw/zinc/14/08/89/1103140889.db2.gz KDRCEHCBBRYHGC-APWZRJJASA-N 2 0 347.478 2.403 10 0 EEAERP CCn1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)n1 ZINC001497842998 1103181739 /nfs/dbraw/zinc/18/17/39/1103181739.db2.gz ZVRRXXNCEKRCDW-OAHLLOKOSA-N 2 0 349.523 2.150 10 0 EEAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001447909675 1103573914 /nfs/dbraw/zinc/57/39/14/1103573914.db2.gz VDPHJGQIMJKLLV-GJZGRUSLSA-N 2 0 335.467 2.193 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494144036 1103595315 /nfs/dbraw/zinc/59/53/15/1103595315.db2.gz IETPEAIZAPULPB-HZPDHXFCSA-N 2 0 325.472 2.143 10 0 EEAERP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001448106667 1104018867 /nfs/dbraw/zinc/01/88/67/1104018867.db2.gz LELOQPRFIQXKRB-QGZVFWFLSA-N 2 0 347.503 2.042 10 0 EEAERP Cc1c(C(=O)NCC2C[NH+](CCCCCF)C2)ccc2c[nH+]cn21 ZINC001494567639 1104155583 /nfs/dbraw/zinc/15/55/83/1104155583.db2.gz GKVGUQOXBKGNSF-UHFFFAOYSA-N 2 0 332.423 2.444 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2cnoc2C)CCCCC1)[NH+](C)C ZINC001448221605 1104205588 /nfs/dbraw/zinc/20/55/88/1104205588.db2.gz OOQLYDPSHQMION-MRXNPFEDSA-N 2 0 336.480 2.232 10 0 EEAERP COCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001448284163 1104319301 /nfs/dbraw/zinc/31/93/01/1104319301.db2.gz STGUVYLEWIFFKA-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ncccc1C ZINC001495014646 1104657724 /nfs/dbraw/zinc/65/77/24/1104657724.db2.gz ZJTMEWASMLYUPW-MJGOQNOKSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccnc1 ZINC001495068778 1104707187 /nfs/dbraw/zinc/70/71/87/1104707187.db2.gz KEVVQSYIZWQULQ-MSOLQXFVSA-N 2 0 332.492 2.329 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001498064372 1106869953 /nfs/dbraw/zinc/86/99/53/1106869953.db2.gz QKXLXFUPSHTMNV-XJKSGUPXSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001498355619 1107372072 /nfs/dbraw/zinc/37/20/72/1107372072.db2.gz IVHNOBSQGKSJKN-INIZCTEOSA-N 2 0 332.492 2.201 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001498492762 1107630049 /nfs/dbraw/zinc/63/00/49/1107630049.db2.gz WBRFZIFSTXLYOG-MJGOQNOKSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001498807046 1108139904 /nfs/dbraw/zinc/13/99/04/1108139904.db2.gz CTRANIWVGYDWAX-FNHZYXHNSA-N 2 0 344.503 2.105 10 0 EEAERP Cc1ccc(C)c(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001499067448 1108533163 /nfs/dbraw/zinc/53/31/63/1108533163.db2.gz WGEZPCSCTWLMPH-APWZRJJASA-N 2 0 329.488 2.336 10 0 EEAERP CC(C)c1cccc(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001499266494 1112208183 /nfs/dbraw/zinc/20/81/83/1112208183.db2.gz AWIZEIHPFFQCSS-GOSISDBHSA-N 2 0 344.503 2.428 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH+](CCCF)C1 ZINC001499482544 1112314950 /nfs/dbraw/zinc/31/49/50/1112314950.db2.gz WESMDGUZYKMBAU-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001499844651 1112509596 /nfs/dbraw/zinc/50/95/96/1112509596.db2.gz PAJKQNJMHZEPFU-KGLIPLIRSA-N 2 0 339.430 2.386 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001499981621 1112564922 /nfs/dbraw/zinc/56/49/22/1112564922.db2.gz IDLFZESOOHZJDQ-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc(C[NH+]2CCC(C)(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)on1 ZINC001500013114 1112579972 /nfs/dbraw/zinc/57/99/72/1112579972.db2.gz RYCCDICGOSCMMB-HOTGVXAUSA-N 2 0 348.491 2.327 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1nccs1)C1CCCC1 ZINC001500126979 1112630187 /nfs/dbraw/zinc/63/01/87/1112630187.db2.gz RAXNUGSGXQNCKZ-HNNXBMFYSA-N 2 0 336.505 2.004 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001501190050 1113235044 /nfs/dbraw/zinc/23/50/44/1113235044.db2.gz MYEBDSMJBQWGNU-GERCFGONSA-N 2 0 327.900 2.203 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001501574458 1113387809 /nfs/dbraw/zinc/38/78/09/1113387809.db2.gz NIHRMNFMARABGR-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001501577942 1113389234 /nfs/dbraw/zinc/38/92/34/1113389234.db2.gz FRNRIRMNVFKOGV-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001501681581 1113431919 /nfs/dbraw/zinc/43/19/19/1113431919.db2.gz MLSUGUQTIMGFNI-VQIMIIECSA-N 2 0 347.503 2.330 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccc(F)cc2)CCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001502020629 1113561950 /nfs/dbraw/zinc/56/19/50/1113561950.db2.gz CSQVFJMGCHCMCO-IBGZPJMESA-N 2 0 345.462 2.440 10 0 EEAERP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001502148087 1113617032 /nfs/dbraw/zinc/61/70/32/1113617032.db2.gz WEYMXPDZABBYMY-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505760555 1114174796 /nfs/dbraw/zinc/17/47/96/1114174796.db2.gz MHDNBCCNQOKVSO-HOTGVXAUSA-N 2 0 334.508 2.076 10 0 EEAERP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N(C)Cc1ccn(C)n1 ZINC001505970428 1114309094 /nfs/dbraw/zinc/30/90/94/1114309094.db2.gz VDSNZRCXYXWYJT-INIZCTEOSA-N 2 0 349.523 2.011 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccccn2)C1 ZINC001505986015 1114321608 /nfs/dbraw/zinc/32/16/08/1114321608.db2.gz NMTLQHXKWOVAOL-IRXDYDNUSA-N 2 0 332.492 2.140 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001506056312 1114380612 /nfs/dbraw/zinc/38/06/12/1114380612.db2.gz DMKPWXJZPKOSEX-SFHVURJKSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001506484024 1114641753 /nfs/dbraw/zinc/64/17/53/1114641753.db2.gz OVDJWAIWYYUPFS-QGZVFWFLSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@]3(C)C[NH+](CCCCCF)C[C@]3(C)C2)C1 ZINC001506870270 1114940938 /nfs/dbraw/zinc/94/09/38/1114940938.db2.gz JSMKDGJJHQDTNL-QRQLOZEOSA-N 2 0 339.499 2.248 10 0 EEAERP COCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001506957472 1115005329 /nfs/dbraw/zinc/00/53/29/1115005329.db2.gz PMJHUJHLOAALOO-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP COc1cccc(C[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1C ZINC001506960108 1115007813 /nfs/dbraw/zinc/00/78/13/1115007813.db2.gz FHNGIVZOPZLGSU-UHFFFAOYSA-N 2 0 347.503 2.378 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CCOCc2ccccc2)CC1 ZINC001506961685 1115010517 /nfs/dbraw/zinc/01/05/17/1115010517.db2.gz STZQJCROOQPBAA-UHFFFAOYSA-N 2 0 347.503 2.078 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ocnc2C)C1 ZINC001507112219 1115114593 /nfs/dbraw/zinc/11/45/93/1115114593.db2.gz HXUIXJQJRVLFFL-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001507288439 1115175474 /nfs/dbraw/zinc/17/54/74/1115175474.db2.gz FDQIMGYKXDRVFO-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]Cc2cncs2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507341947 1115205147 /nfs/dbraw/zinc/20/51/47/1115205147.db2.gz SZOHGIFTPCUBPE-LSDHHAIUSA-N 2 0 336.505 2.098 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@@H]2C1 ZINC001507361716 1115222423 /nfs/dbraw/zinc/22/24/23/1115222423.db2.gz CNRRZWRBZWNRAV-KSZLIROESA-N 2 0 339.499 2.439 10 0 EEAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCOC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001507404660 1115253272 /nfs/dbraw/zinc/25/32/72/1115253272.db2.gz WEFAFKCNELRHMJ-SJORKVTESA-N 2 0 349.519 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC001507455104 1115279435 /nfs/dbraw/zinc/27/94/35/1115279435.db2.gz AYWKTAUPICENMJ-HUUCEWRRSA-N 2 0 349.441 2.355 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507730167 1115335964 /nfs/dbraw/zinc/33/59/64/1115335964.db2.gz STQFTHGXOFFGHD-MSOLQXFVSA-N 2 0 349.519 2.147 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC001508163634 1115432196 /nfs/dbraw/zinc/43/21/96/1115432196.db2.gz XORGROLSMSNJMU-UHFFFAOYSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001508222426 1115451363 /nfs/dbraw/zinc/45/13/63/1115451363.db2.gz LLSMSSJSUAOEDB-QFBILLFUSA-N 2 0 349.519 2.034 10 0 EEAERP Cc1ccc(CC[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001508229829 1115454960 /nfs/dbraw/zinc/45/49/60/1115454960.db2.gz OEMOMUPKJTWOHA-UHFFFAOYSA-N 2 0 341.499 2.382 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCOc1cc(C)ccc1C ZINC001567989774 1124218385 /nfs/dbraw/zinc/21/83/85/1124218385.db2.gz UAOXAHCXAPGVQJ-QZTJIDSGSA-N 2 0 347.503 2.118 10 0 EEAERP COCCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001568002660 1124224730 /nfs/dbraw/zinc/22/47/30/1124224730.db2.gz QQCGWVXZKCYJST-UHFFFAOYSA-N 2 0 344.459 2.311 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CCc2ccccc2F)C2CC2)C1 ZINC001568032492 1124240097 /nfs/dbraw/zinc/24/00/97/1124240097.db2.gz RKHVMDYECCUWNW-OXJNMPFZSA-N 2 0 347.478 2.194 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001568097218 1124301040 /nfs/dbraw/zinc/30/10/40/1124301040.db2.gz ZUXJPACIRJRFCT-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001568107519 1124306491 /nfs/dbraw/zinc/30/64/91/1124306491.db2.gz FOGIJPQGSGLCCD-WKILWMFISA-N 2 0 344.459 2.310 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001568109998 1124307260 /nfs/dbraw/zinc/30/72/60/1124307260.db2.gz LXNIQPCXIQBEEL-KZNAEPCWSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ncc(C)o1 ZINC001568398622 1124468925 /nfs/dbraw/zinc/46/89/25/1124468925.db2.gz ZQUOWQOGQRDHHI-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@H](C[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001568651111 1124662259 /nfs/dbraw/zinc/66/22/59/1124662259.db2.gz JOCMGBACSIEMJR-XJKSGUPXSA-N 2 0 332.448 2.166 10 0 EEAERP CO[C@H](C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001568674565 1124687400 /nfs/dbraw/zinc/68/74/00/1124687400.db2.gz QCTXVJFVFVPINH-QFBILLFUSA-N 2 0 347.503 2.200 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568753849 1124767841 /nfs/dbraw/zinc/76/78/41/1124767841.db2.gz KGSBNOLSMIPDFI-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791478 1124803254 /nfs/dbraw/zinc/80/32/54/1124803254.db2.gz KRVVCXHGGIPGAS-CABCVRRESA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1F ZINC001569037890 1125057517 /nfs/dbraw/zinc/05/75/17/1125057517.db2.gz COYCAWBNWIHXPD-QAPCUYQASA-N 2 0 335.467 2.337 10 0 EEAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569213725 1125169826 /nfs/dbraw/zinc/16/98/26/1125169826.db2.gz JXKDWQXJYWHSBI-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001569257624 1125199564 /nfs/dbraw/zinc/19/95/64/1125199564.db2.gz JWZOGCKFRNQWJO-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001569329193 1125232297 /nfs/dbraw/zinc/23/22/97/1125232297.db2.gz HMQGMBHXUIHWRC-PKOBYXMFSA-N 2 0 347.478 2.194 10 0 EEAERP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001565900303 1125451903 /nfs/dbraw/zinc/45/19/03/1125451903.db2.gz HCIYIQWBVVJHET-JKSUJKDBSA-N 2 0 339.524 2.160 10 0 EEAERP CC[NH+]1CCN(CC[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000053937276 214205991 /nfs/dbraw/zinc/20/59/91/214205991.db2.gz FAHGUJLAHIDZSW-HNNXBMFYSA-N 2 0 326.282 2.477 10 0 EEAERP C[C@H](CCN1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245670989 539665421 /nfs/dbraw/zinc/66/54/21/539665421.db2.gz DBINVMKUOSFRSE-AABGKKOBSA-N 2 0 334.552 2.105 10 0 EEAERP c1nn2ccccc2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179988385 233613958 /nfs/dbraw/zinc/61/39/58/233613958.db2.gz NAYKZMLYPKRMSP-UHFFFAOYSA-N 2 0 328.460 2.411 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000069204133 215368987 /nfs/dbraw/zinc/36/89/87/215368987.db2.gz FBUNIAVFLFWQKH-CVEARBPZSA-N 2 0 334.464 2.198 10 0 EEAERP [NH3+]CCCc1nc2cc(Cl)ccc2n1CCC[NH+]1CCOCC1 ZINC000040406239 213300249 /nfs/dbraw/zinc/30/02/49/213300249.db2.gz WQCCEJNVAXOUDZ-UHFFFAOYSA-N 2 0 336.867 2.303 10 0 EEAERP Cc1ccc([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)[NH+](C)C)cc1 ZINC000183542006 235131825 /nfs/dbraw/zinc/13/18/25/235131825.db2.gz XYHIUFVVYAUEAJ-SFHVURJKSA-N 2 0 326.444 2.489 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000183520795 235123216 /nfs/dbraw/zinc/12/32/16/235123216.db2.gz BYABMDXHSXUDLJ-UHFFFAOYSA-N 2 0 342.443 2.018 10 0 EEAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416228602 239133964 /nfs/dbraw/zinc/13/39/64/239133964.db2.gz YTEVOLWVXUGQCA-LJQANCHMSA-N 2 0 329.488 2.378 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422770756 240217775 /nfs/dbraw/zinc/21/77/75/240217775.db2.gz XEGVZMCCLDVFGF-UONOGXRCSA-N 2 0 343.418 2.210 10 0 EEAERP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](CCC[NH3+])COC)ccc2NC1=O ZINC000422810576 240236929 /nfs/dbraw/zinc/23/69/29/240236929.db2.gz NSTRODJDGQFGDW-BJJXKVORSA-N 2 0 335.448 2.201 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000447040968 242242637 /nfs/dbraw/zinc/24/26/37/242242637.db2.gz WRONNAROOUZWDT-CRAIPNDOSA-N 2 0 336.524 2.233 10 0 EEAERP COc1ccccc1/C=C/C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615726 218154866 /nfs/dbraw/zinc/15/48/66/218154866.db2.gz NNHLFNVWVCESTN-SOFGYWHQSA-N 2 0 345.487 2.098 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000339655152 285248490 /nfs/dbraw/zinc/24/84/90/285248490.db2.gz KBYFUAYFEPRKSC-SQNIBIBYSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000171589024 533666706 /nfs/dbraw/zinc/66/67/06/533666706.db2.gz XTILKXNCAFUTQT-ACJLOTCBSA-N 2 0 342.430 2.023 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000074713208 292176734 /nfs/dbraw/zinc/17/67/34/292176734.db2.gz ZPQXZEZDWAUOPW-UHFFFAOYSA-N 2 0 326.529 2.338 10 0 EEAERP Cc1nc(C[C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)no1 ZINC000191478866 152256836 /nfs/dbraw/zinc/25/68/36/152256836.db2.gz YGIVEMJYVLDUPZ-SFHVURJKSA-N 2 0 349.523 2.049 10 0 EEAERP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262666731 152303458 /nfs/dbraw/zinc/30/34/58/152303458.db2.gz KRDCEDLAMDMZIZ-AZUAARDMSA-N 2 0 347.503 2.066 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CC[NH+](CC)CC)C1 ZINC000352256926 153026522 /nfs/dbraw/zinc/02/65/22/153026522.db2.gz NGUYHFZMHZPTBO-MRXNPFEDSA-N 2 0 347.569 2.148 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000249104356 160374499 /nfs/dbraw/zinc/37/44/99/160374499.db2.gz QDGYNRLLRRJXTJ-WSTZPKSXSA-N 2 0 337.552 2.418 10 0 EEAERP COCC[N@H+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245763167 160251708 /nfs/dbraw/zinc/25/17/08/160251708.db2.gz VXCYKNVFNOFEBW-ACDBMABISA-N 2 0 331.504 2.350 10 0 EEAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246390387 160277038 /nfs/dbraw/zinc/27/70/38/160277038.db2.gz IQADHIPIKNVZRR-DLBZAZTESA-N 2 0 346.475 2.296 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000247332494 160320350 /nfs/dbraw/zinc/32/03/50/160320350.db2.gz MTGBECNTNWOCOR-QAPCUYQASA-N 2 0 348.466 2.136 10 0 EEAERP C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000248356545 160342049 /nfs/dbraw/zinc/34/20/49/160342049.db2.gz OLBRFUVBLPGLKZ-WOJBJXKFSA-N 2 0 334.552 2.107 10 0 EEAERP CN(C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000341882315 161021096 /nfs/dbraw/zinc/02/10/96/161021096.db2.gz KSHISUFCAFHUKY-SFTDATJTSA-N 2 0 343.515 2.446 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442887 162136676 /nfs/dbraw/zinc/13/66/76/162136676.db2.gz ZAEJZTSQLIMYLK-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1cn2c(n1)CN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000367799389 166004993 /nfs/dbraw/zinc/00/49/93/166004993.db2.gz GAJWVPAHXICBEU-GASCZTMLSA-N 2 0 333.480 2.085 10 0 EEAERP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000355704914 163275225 /nfs/dbraw/zinc/27/52/25/163275225.db2.gz IZDILVFRPUTYMZ-UHFFFAOYSA-N 2 0 326.444 2.032 10 0 EEAERP C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154997049 292532875 /nfs/dbraw/zinc/53/28/75/292532875.db2.gz YPNMXEKBXZEGBU-CRAIPNDOSA-N 2 0 332.492 2.055 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000376784899 167392277 /nfs/dbraw/zinc/39/22/77/167392277.db2.gz RBRWZLJOXPQIPA-DOTOQJQBSA-N 2 0 342.487 2.348 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc4c(cc32)OCCO4)CC1 ZINC000095421926 277051603 /nfs/dbraw/zinc/05/16/03/277051603.db2.gz BKQUPOWEKHORQG-GOSISDBHSA-N 2 0 345.487 2.062 10 0 EEAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000247367568 279038791 /nfs/dbraw/zinc/03/87/91/279038791.db2.gz RJCYBYWVJMFKRC-RTBURBONSA-N 2 0 346.519 2.143 10 0 EEAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000158157838 288305483 /nfs/dbraw/zinc/30/54/83/288305483.db2.gz MLBOGDHEDYMWBD-FGYAAKKASA-N 2 0 334.552 2.104 10 0 EEAERP CC1CC[NH+](CCCNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297847561 294356094 /nfs/dbraw/zinc/35/60/94/294356094.db2.gz PAIBRUZENAWHCZ-UHFFFAOYSA-N 2 0 329.448 2.256 10 0 EEAERP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccccc1 ZINC000262140043 303412674 /nfs/dbraw/zinc/41/26/74/303412674.db2.gz DUYOWUMBGNQSNG-APAFKAMOSA-N 2 0 327.472 2.108 10 0 EEAERP CC1(C)CC(NC(=O)N2CCC([NH2+]CC3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000333144979 312100345 /nfs/dbraw/zinc/10/03/45/312100345.db2.gz DOEQBGGMRSIQAS-UHFFFAOYSA-N 2 0 336.524 2.469 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000333153788 312102200 /nfs/dbraw/zinc/10/22/00/312102200.db2.gz MSBLIURNDXMWRI-DYEKYZERSA-N 2 0 337.493 2.328 10 0 EEAERP Cc1ccccc1CC(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414700023 313066585 /nfs/dbraw/zinc/06/65/85/313066585.db2.gz UMAKRWRKBKPKBT-ZWKOTPCHSA-N 2 0 329.488 2.070 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000414779025 313086271 /nfs/dbraw/zinc/08/62/71/313086271.db2.gz HASCRUCJHWTHFB-GJZGRUSLSA-N 2 0 334.464 2.361 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000414827892 313098110 /nfs/dbraw/zinc/09/81/10/313098110.db2.gz KWQBFEGWVBWWCW-GOSISDBHSA-N 3 0 330.520 2.308 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NCc1cn2ccccc2n1 ZINC000416866445 313340558 /nfs/dbraw/zinc/34/05/58/313340558.db2.gz GIBXBAKMVKYWEH-UHFFFAOYSA-N 2 0 337.427 2.047 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCC[NH3+])C1 ZINC000416999320 313388930 /nfs/dbraw/zinc/38/89/30/313388930.db2.gz MDRMTFQIPYKJRR-IYBDPMFKSA-N 2 0 332.492 2.313 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000418055360 313701404 /nfs/dbraw/zinc/70/14/04/313701404.db2.gz INYZRTCOCOKDHH-FQEVSTJZSA-N 2 0 344.503 2.076 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000527480607 317199363 /nfs/dbraw/zinc/19/93/63/317199363.db2.gz AVLBDGGJSHVJHQ-AEFFLSMTSA-N 2 0 332.492 2.140 10 0 EEAERP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000527497787 317201100 /nfs/dbraw/zinc/20/11/00/317201100.db2.gz BYMXENLWQCHECM-BBWFWOEESA-N 2 0 330.476 2.493 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000528450214 317389987 /nfs/dbraw/zinc/38/99/87/317389987.db2.gz NLCKOWLOVDXGDK-ZHALLVOQSA-N 2 0 346.515 2.399 10 0 EEAERP CN(CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cc[nH+]cc1 ZINC000542785291 318139813 /nfs/dbraw/zinc/13/98/13/318139813.db2.gz MWFVXGQPKXJXKU-QGZVFWFLSA-N 2 0 330.476 2.242 10 0 EEAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000546686438 318260384 /nfs/dbraw/zinc/26/03/84/318260384.db2.gz VHZVAXOKCNSZBA-GOSISDBHSA-N 2 0 335.467 2.439 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562809843 318933663 /nfs/dbraw/zinc/93/36/63/318933663.db2.gz PQDHGRYDAMVPCH-OAQYLSRUSA-N 2 0 341.499 2.444 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986174 319135753 /nfs/dbraw/zinc/13/57/53/319135753.db2.gz HHXGJORBUBYPNY-HXUWFJFHSA-N 2 0 341.455 2.138 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000565645874 319200751 /nfs/dbraw/zinc/20/07/51/319200751.db2.gz VGIXUNRZOARLGD-OAHLLOKOSA-N 2 0 330.476 2.382 10 0 EEAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000571402724 319752795 /nfs/dbraw/zinc/75/27/95/319752795.db2.gz ZJEVBNBRLIIWBI-IKGGRYGDSA-N 2 0 335.467 2.493 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000576813317 320205707 /nfs/dbraw/zinc/20/57/07/320205707.db2.gz SIKMHCGNNRAIRE-ICSRJNTNSA-N 2 0 345.531 2.288 10 0 EEAERP [NH3+]Cc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000577390744 320253300 /nfs/dbraw/zinc/25/33/00/320253300.db2.gz DGYCRMGTPSYPFT-SFHVURJKSA-N 2 0 330.476 2.305 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000578246745 320304045 /nfs/dbraw/zinc/30/40/45/320304045.db2.gz ZUQUNFHGXYQTOQ-QFBILLFUSA-N 2 0 329.488 2.355 10 0 EEAERP CCCCNc1cc(C)[nH+]c(N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000631328979 451697980 /nfs/dbraw/zinc/69/79/80/451697980.db2.gz LSPQEUAHTHRJTF-UHFFFAOYSA-N 2 0 333.480 2.298 10 0 EEAERP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)c3cccnc3)ccn2)CC1 ZINC000092743228 462977579 /nfs/dbraw/zinc/97/75/79/462977579.db2.gz CLIWQUUHRJTGFT-MRXNPFEDSA-N 2 0 325.460 2.469 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479505 464247378 /nfs/dbraw/zinc/24/73/78/464247378.db2.gz DFMORIVDOJJBFC-PKOBYXMFSA-N 2 0 325.460 2.243 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000358665523 465251625 /nfs/dbraw/zinc/25/16/25/465251625.db2.gz LYIILGLYEPKFNG-GOSISDBHSA-N 2 0 334.508 2.298 10 0 EEAERP CN(C(=O)NC[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347969906 465342454 /nfs/dbraw/zinc/34/24/54/465342454.db2.gz UKUFFIPGDPLOMR-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000113580410 462602624 /nfs/dbraw/zinc/60/26/24/462602624.db2.gz XJDROFZFMQTHTL-OLMNPRSZSA-N 2 0 348.466 2.307 10 0 EEAERP CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000090410623 462790202 /nfs/dbraw/zinc/79/02/02/462790202.db2.gz LSNOOXMZRGDALG-NVXWUHKLSA-N 2 0 348.491 2.081 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091348426 462875079 /nfs/dbraw/zinc/87/50/79/462875079.db2.gz ICXBXCLBVIVMSN-CQSZACIVSA-N 2 0 339.505 2.107 10 0 EEAERP C[C@@H](CO)[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092396222 462949384 /nfs/dbraw/zinc/94/93/84/462949384.db2.gz NQJFJGHPHXQEKO-UONOGXRCSA-N 2 0 325.884 2.198 10 0 EEAERP COc1cccc(C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C2CC2)c1 ZINC000121135906 463085667 /nfs/dbraw/zinc/08/56/67/463085667.db2.gz NFRAKJFDEIFEQJ-UYAOXDASSA-N 2 0 332.488 2.453 10 0 EEAERP CN1CCN(C(=O)CC2CC[NH+](CCc3ccccc3F)CC2)CC1 ZINC000121372446 463124602 /nfs/dbraw/zinc/12/46/02/463124602.db2.gz URPUTJRUZUWXQV-UHFFFAOYSA-N 2 0 347.478 2.244 10 0 EEAERP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC3(C2)OCCO3)CC1 ZINC000097058877 463314365 /nfs/dbraw/zinc/31/43/65/463314365.db2.gz BVNVXGLQOYARSY-UHFFFAOYSA-N 2 0 345.487 2.167 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000124210200 463399186 /nfs/dbraw/zinc/39/91/86/463399186.db2.gz LRNJAIHBTDJENA-QGZVFWFLSA-N 2 0 330.476 2.349 10 0 EEAERP C[NH+](C)CCOC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000072280922 463496195 /nfs/dbraw/zinc/49/61/95/463496195.db2.gz WKQMZIHNEFIJHX-UHFFFAOYSA-N 2 0 345.487 2.008 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000073952907 463673776 /nfs/dbraw/zinc/67/37/76/463673776.db2.gz OEPNDCMPTSRXNC-SFHVURJKSA-N 2 0 338.540 2.482 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000170829562 463716223 /nfs/dbraw/zinc/71/62/23/463716223.db2.gz UZOLTFGKZSSSQQ-RBUKOAKNSA-N 2 0 346.519 2.285 10 0 EEAERP COCCN1CC[C@@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000286883802 463733201 /nfs/dbraw/zinc/73/32/01/463733201.db2.gz COGFFOWAVPPCMI-QUCCMNQESA-N 2 0 349.519 2.387 10 0 EEAERP C[NH+]1CCC(CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000171379915 463853552 /nfs/dbraw/zinc/85/35/52/463853552.db2.gz WZGUHWSTPKNAIN-UHFFFAOYSA-N 2 0 336.524 2.236 10 0 EEAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262176272 463966123 /nfs/dbraw/zinc/96/61/23/463966123.db2.gz VWXMFLYASNKHLY-KXBFYZLASA-N 2 0 332.394 2.267 10 0 EEAERP C[C@@H]1C[C@H](N(C)Cc2noc(CN)n2)CC[N@@H+]1Cc1ccccc1 ZINC000262225812 463978121 /nfs/dbraw/zinc/97/81/21/463978121.db2.gz NFPWKWUWMSXZOA-GDBMZVCRSA-N 2 0 329.448 2.013 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188739203 464355972 /nfs/dbraw/zinc/35/59/72/464355972.db2.gz XXZMXWBZHOXKEB-UHFFFAOYSA-N 2 0 339.439 2.160 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000245399063 464475722 /nfs/dbraw/zinc/47/57/22/464475722.db2.gz VMCZCWPPLTVSLI-FUHWJXTLSA-N 2 0 334.508 2.189 10 0 EEAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000245423302 464479839 /nfs/dbraw/zinc/47/98/39/464479839.db2.gz BETYFXGCLQLSEA-MJGOQNOKSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000579730197 468404021 /nfs/dbraw/zinc/40/40/21/468404021.db2.gz BHRJGUIOAVNIRY-MRXNPFEDSA-N 2 0 345.487 2.118 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000245634055 464500800 /nfs/dbraw/zinc/50/08/00/464500800.db2.gz IVOSDGAPYGIEKB-RYQLBKOJSA-N 2 0 332.492 2.461 10 0 EEAERP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000245655179 464502929 /nfs/dbraw/zinc/50/29/29/464502929.db2.gz NXFZRCKYFNNZNR-MOPGFXCFSA-N 2 0 344.503 2.463 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175603811 464585019 /nfs/dbraw/zinc/58/50/19/464585019.db2.gz CEVQHLZOHGAIMY-OAHLLOKOSA-N 2 0 338.471 2.287 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721308 464609592 /nfs/dbraw/zinc/60/95/92/464609592.db2.gz HLTGTNOCTIEVFG-GDBMZVCRSA-N 2 0 349.475 2.304 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182367472 464636441 /nfs/dbraw/zinc/63/64/41/464636441.db2.gz JZSDKFGHHUEWPV-NHCUHLMSSA-N 2 0 345.531 2.082 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182554392 464682451 /nfs/dbraw/zinc/68/24/51/464682451.db2.gz QESXMGMEHFLZGZ-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000247657920 464700104 /nfs/dbraw/zinc/70/01/04/464700104.db2.gz YXZFEWGTVCVZSG-ZWKOTPCHSA-N 2 0 336.524 2.377 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176498572 464787296 /nfs/dbraw/zinc/78/72/96/464787296.db2.gz GARJUDGKTOATSI-LJQANCHMSA-N 2 0 346.519 2.439 10 0 EEAERP COc1cccc([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[NH+](C)C)c1 ZINC000183479276 464869408 /nfs/dbraw/zinc/86/94/08/464869408.db2.gz VPLRRPQKSJWWJQ-GOSISDBHSA-N 2 0 342.443 2.189 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234174 465658969 /nfs/dbraw/zinc/65/89/69/465658969.db2.gz CGESNGZOJXTJIV-HOTGVXAUSA-N 2 0 327.538 2.052 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccc1O ZINC000299684772 465855932 /nfs/dbraw/zinc/85/59/32/465855932.db2.gz UOSOEUSQKQCTDA-GOSISDBHSA-N 2 0 347.503 2.199 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[NH+]3CCC2CC3)CC1 ZINC000349293561 466054095 /nfs/dbraw/zinc/05/40/95/466054095.db2.gz FEVQAJYCIAIWKT-UHFFFAOYSA-N 2 0 342.531 2.499 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)[C@@H]2CCC[C@H]21 ZINC000367529116 466394627 /nfs/dbraw/zinc/39/46/27/466394627.db2.gz YRPHTCGAKXPAFQ-OKZBNKHCSA-N 2 0 336.501 2.194 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569489130 468499336 /nfs/dbraw/zinc/49/93/36/468499336.db2.gz JUECJINEZHDJTJ-UYAOXDASSA-N 2 0 327.472 2.253 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(=O)OC)cc2)[C@H](C)C1 ZINC000341167916 466630246 /nfs/dbraw/zinc/63/02/46/466630246.db2.gz UTWIJOHJSVEOMT-QAPCUYQASA-N 2 0 334.460 2.401 10 0 EEAERP Cc1ccc([C@H](CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422828611 466683360 /nfs/dbraw/zinc/68/33/60/466683360.db2.gz ONUVRRYLZCTZTD-HBMCJLEFSA-N 2 0 343.515 2.489 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417032977 466759918 /nfs/dbraw/zinc/75/99/18/466759918.db2.gz FELUSQILUOUDKT-IEBWSBKVSA-N 2 0 336.524 2.284 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417237342 466811186 /nfs/dbraw/zinc/81/11/86/466811186.db2.gz JBVRQVUUKQIHDR-ZACQAIPSSA-N 2 0 336.524 2.138 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000417835673 466951463 /nfs/dbraw/zinc/95/14/63/466951463.db2.gz GQLZUHCJNMXUBK-ZWKOTPCHSA-N 2 0 336.524 2.138 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417913591 466983331 /nfs/dbraw/zinc/98/33/31/466983331.db2.gz QTVJVHYWUMURPH-HKUYNNGSSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H](CCC[NH3+])NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418047663 467033556 /nfs/dbraw/zinc/03/35/56/467033556.db2.gz UEUIINHJWITDFJ-APWZRJJASA-N 2 0 332.492 2.468 10 0 EEAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418333654 467094157 /nfs/dbraw/zinc/09/41/57/467094157.db2.gz FFVKPZCUYIYWPV-QXAKKESOSA-N 2 0 344.503 2.290 10 0 EEAERP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418424993 467108777 /nfs/dbraw/zinc/10/87/77/467108777.db2.gz HLIVHJMUCDRSQP-SFHVURJKSA-N 2 0 332.492 2.450 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000418604148 467135025 /nfs/dbraw/zinc/13/50/25/467135025.db2.gz XFELAZSIVRJDHM-SJLPKXTDSA-N 2 0 344.503 2.290 10 0 EEAERP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418778898 467158297 /nfs/dbraw/zinc/15/82/97/467158297.db2.gz APBWPWFQPUAAOX-BRSBDYLESA-N 2 0 334.508 2.034 10 0 EEAERP C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000382760520 467379208 /nfs/dbraw/zinc/37/92/08/467379208.db2.gz JESPXNXLDSDLJU-HKUYNNGSSA-N 2 0 329.488 2.499 10 0 EEAERP C[C@H](C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Cc1ccccc1 ZINC000414964753 467458276 /nfs/dbraw/zinc/45/82/76/467458276.db2.gz CCHPXAOCHWDIKR-GOEBONIOSA-N 2 0 329.410 2.291 10 0 EEAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000404426038 467474220 /nfs/dbraw/zinc/47/42/20/467474220.db2.gz LTTMECRTBZJKQV-DODZYUBVSA-N 2 0 329.488 2.496 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]ccc1C1CC1 ZINC000457540391 467646425 /nfs/dbraw/zinc/64/64/25/467646425.db2.gz RRUUTKGHASAEPJ-INIZCTEOSA-N 2 0 332.492 2.380 10 0 EEAERP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528709939 467734139 /nfs/dbraw/zinc/73/41/39/467734139.db2.gz NSSLOCGIGUHDSQ-UHFFFAOYSA-N 2 0 344.459 2.165 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000450396280 467842761 /nfs/dbraw/zinc/84/27/61/467842761.db2.gz VKIDWMCWHUEVOS-WOJBJXKFSA-N 2 0 336.568 2.351 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000472455615 467988114 /nfs/dbraw/zinc/98/81/14/467988114.db2.gz LIDVFBPFUCVXOJ-MRXNPFEDSA-N 2 0 326.529 2.480 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000533913469 468227905 /nfs/dbraw/zinc/22/79/05/468227905.db2.gz DZDVMDMNLNFISC-QRQLOZEOSA-N 2 0 344.503 2.461 10 0 EEAERP CC(C)C[C@H]([NH2+]C1CCC2(CCCO2)CC1)C(=O)NCC[NH+](C)C ZINC000578828976 468261435 /nfs/dbraw/zinc/26/14/35/468261435.db2.gz FEVBXSUQYGEXPQ-HFCFLWKCSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1c(Cl)cc(F)c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1F ZINC000582892890 468611803 /nfs/dbraw/zinc/61/18/03/468611803.db2.gz DXHQAPLUZOIFTA-SECBINFHSA-N 2 0 332.782 2.033 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(C)c2OC)CC[NH2+]CC1 ZINC000594585139 468627804 /nfs/dbraw/zinc/62/78/04/468627804.db2.gz OHVAOWUXKYDSCO-HNNXBMFYSA-N 2 0 334.460 2.415 10 0 EEAERP CC[NH+]1CCC([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000592393669 468688667 /nfs/dbraw/zinc/68/86/67/468688667.db2.gz IWRCWZRLWHTMJF-UHFFFAOYSA-N 2 0 326.481 2.199 10 0 EEAERP CN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000571875321 468851534 /nfs/dbraw/zinc/85/15/34/468851534.db2.gz MFTZKDKEQFXLAH-UONOGXRCSA-N 2 0 332.366 2.129 10 0 EEAERP CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561213150 468876783 /nfs/dbraw/zinc/87/67/83/468876783.db2.gz WOQYDOAKCSTHQP-OALUTQOASA-N 2 0 344.503 2.420 10 0 EEAERP CC(C)(C[NH+]1CCCC1)n1cnc(NC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000584653331 468910013 /nfs/dbraw/zinc/91/00/13/468910013.db2.gz BMFLEUZKDABDEA-KRWDZBQOSA-N 2 0 341.459 2.353 10 0 EEAERP Cc1cccc(C2(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CCCC2)c1 ZINC000562988550 469126059 /nfs/dbraw/zinc/12/60/59/469126059.db2.gz YIPSFRJDEOTRJM-FQEVSTJZSA-N 2 0 345.531 2.005 10 0 EEAERP COC(=O)[C@@]1(OC)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000599557758 469292363 /nfs/dbraw/zinc/29/23/63/469292363.db2.gz BLUHBJFLEIQXII-HXUWFJFHSA-N 2 0 346.471 2.436 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)CC[NH2+]CC1 ZINC000596650424 469322272 /nfs/dbraw/zinc/32/22/72/469322272.db2.gz IDLNJULFJGQEKP-GUYCJALGSA-N 2 0 331.460 2.167 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000625837356 469406110 /nfs/dbraw/zinc/40/61/10/469406110.db2.gz JHLFGWODAROESD-HOTGVXAUSA-N 2 0 345.491 2.091 10 0 EEAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCOCCC[NH3+])cc1Cl ZINC000629397865 469530979 /nfs/dbraw/zinc/53/09/79/469530979.db2.gz FCFQXETXOYYMRF-ZDUSSCGKSA-N 2 0 327.856 2.321 10 0 EEAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533228 469573846 /nfs/dbraw/zinc/57/38/46/469573846.db2.gz OJUZEENSUXBXIE-UONOGXRCSA-N 2 0 335.414 2.109 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000629568361 469582227 /nfs/dbraw/zinc/58/22/27/469582227.db2.gz JTAGXNQGKGUCRN-ZIAGYGMSSA-N 2 0 341.883 2.074 10 0 EEAERP COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1 ZINC000629582627 469583674 /nfs/dbraw/zinc/58/36/74/469583674.db2.gz WSIVKYNBOIMHED-DZKIICNBSA-N 2 0 345.409 2.339 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626938704 469762964 /nfs/dbraw/zinc/76/29/64/469762964.db2.gz JFKDIVVXLPINEL-QAPCUYQASA-N 2 0 344.503 2.263 10 0 EEAERP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)CC1(C)C ZINC000623942483 469801670 /nfs/dbraw/zinc/80/16/70/469801670.db2.gz KVRCAHHBDPXJSB-ROUUACIJSA-N 2 0 344.503 2.421 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000627168887 469832326 /nfs/dbraw/zinc/83/23/26/469832326.db2.gz KMKYZFZFMNHMFK-RBUKOAKNSA-N 2 0 346.519 2.333 10 0 EEAERP CCN(C(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](CC)C1 ZINC000617925554 469839077 /nfs/dbraw/zinc/83/90/77/469839077.db2.gz OAZBEMFCXXJWSO-IBGZPJMESA-N 2 0 329.488 2.378 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2COCCN2C)CC1 ZINC000624176430 469865831 /nfs/dbraw/zinc/86/58/31/469865831.db2.gz LEOFBLGTVNVYCS-XLIONFOSSA-N 2 0 331.504 2.002 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000620976683 469965855 /nfs/dbraw/zinc/96/58/55/469965855.db2.gz KQPJEVFCFJSQPM-RTBURBONSA-N 2 0 347.503 2.249 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000630922636 470028373 /nfs/dbraw/zinc/02/83/73/470028373.db2.gz RPIGNOBHQYBZHZ-RBUKOAKNSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631042169 470054061 /nfs/dbraw/zinc/05/40/61/470054061.db2.gz HFOFGPBCFBVGHE-KSZLIROESA-N 2 0 349.523 2.162 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628164121 470068038 /nfs/dbraw/zinc/06/80/38/470068038.db2.gz DRYPPWXRKZCCTO-QGZVFWFLSA-N 2 0 327.476 2.165 10 0 EEAERP C[C@@]1(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCCS1 ZINC000628210445 470076701 /nfs/dbraw/zinc/07/67/01/470076701.db2.gz XOROLWCPGJWWKQ-SFHVURJKSA-N 2 0 334.533 2.469 10 0 EEAERP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c2ccccc21 ZINC000621764627 470105287 /nfs/dbraw/zinc/10/52/87/470105287.db2.gz JJNODMXLDFNART-QFBILLFUSA-N 2 0 346.519 2.346 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000647208895 470859090 /nfs/dbraw/zinc/85/90/90/470859090.db2.gz KCSXLEPVNQSGKP-UHFFFAOYSA-N 2 0 341.503 2.296 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC1CC([NH+]2CCCCC2)C1 ZINC000644636809 471001925 /nfs/dbraw/zinc/00/19/25/471001925.db2.gz WELKFXYDBFKHOY-MHJFOBGBSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000654561770 471072117 /nfs/dbraw/zinc/07/21/17/471072117.db2.gz PAVXKEWDPBYVQI-XYVMCAHJSA-N 2 0 332.492 2.317 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000657355133 471110329 /nfs/dbraw/zinc/11/03/29/471110329.db2.gz CJCPWTYSGFUSSO-GUDVDZBRSA-N 2 0 345.487 2.041 10 0 EEAERP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657361404 471113630 /nfs/dbraw/zinc/11/36/30/471113630.db2.gz CVNHSDTZNZIHMF-GJZGRUSLSA-N 2 0 327.432 2.004 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000652210550 471256338 /nfs/dbraw/zinc/25/63/38/471256338.db2.gz XPZDDEFBNZLQEI-GFCCVEGCSA-N 2 0 330.407 2.304 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000652210112 471256408 /nfs/dbraw/zinc/25/64/08/471256408.db2.gz HBKOPYIURQPKPQ-AWEZNQCLSA-N 2 0 326.444 2.425 10 0 EEAERP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652243691 471261216 /nfs/dbraw/zinc/26/12/16/471261216.db2.gz DPGQEILZNBAXIQ-UHFFFAOYSA-N 2 0 334.464 2.014 10 0 EEAERP CO[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCOC1 ZINC000658075173 471264715 /nfs/dbraw/zinc/26/47/15/471264715.db2.gz WLDXHLGHIYSHBN-VDZJLULYSA-N 2 0 336.476 2.329 10 0 EEAERP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658141140 471270029 /nfs/dbraw/zinc/27/00/29/471270029.db2.gz RIAYTMBGOODXSJ-HKUYNNGSSA-N 2 0 340.471 2.154 10 0 EEAERP CCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663445650 471381262 /nfs/dbraw/zinc/38/12/62/471381262.db2.gz PQFARGYKWGUXOL-RTBURBONSA-N 2 0 346.519 2.285 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000663506871 471405329 /nfs/dbraw/zinc/40/53/29/471405329.db2.gz WLMBDTNGHFBHMF-SFHVURJKSA-N 2 0 349.906 2.387 10 0 EEAERP CCN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663623612 471450642 /nfs/dbraw/zinc/45/06/42/471450642.db2.gz KMMFRURERQJYRH-LJQANCHMSA-N 2 0 344.503 2.170 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659019062 471469238 /nfs/dbraw/zinc/46/92/38/471469238.db2.gz MOTBIHMJFBSLEO-QGZVFWFLSA-N 2 0 346.475 2.171 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659029388 471473811 /nfs/dbraw/zinc/47/38/11/471473811.db2.gz BPKHNBVACJVPQL-SQNIBIBYSA-N 2 0 344.459 2.096 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000655805767 471489275 /nfs/dbraw/zinc/48/92/75/471489275.db2.gz RZPAHQDAAAPQEV-JYBIWHBTSA-N 2 0 331.504 2.378 10 0 EEAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653109452 471493003 /nfs/dbraw/zinc/49/30/03/471493003.db2.gz BTDYZYCKEZKAPM-MOPGFXCFSA-N 2 0 327.472 2.082 10 0 EEAERP CC[N@H+](CCCNC(=O)COC1CCC([NH3+])CC1)C1CCCCC1 ZINC000653200382 471531718 /nfs/dbraw/zinc/53/17/18/471531718.db2.gz CNFPPXPMGRMBMV-UHFFFAOYSA-N 2 0 339.524 2.434 10 0 EEAERP CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659292101 471570004 /nfs/dbraw/zinc/57/00/04/471570004.db2.gz BJQPMQBAJQPFBD-SJLPKXTDSA-N 2 0 327.472 2.374 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cn2)CC1 ZINC000669698676 471594499 /nfs/dbraw/zinc/59/44/99/471594499.db2.gz SYIZHPUFBHSTQH-GOSISDBHSA-N 2 0 344.503 2.272 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000659424015 471619650 /nfs/dbraw/zinc/61/96/50/471619650.db2.gz RRERKKPNGDVXLG-GOSISDBHSA-N 2 0 332.492 2.324 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000659428261 471621891 /nfs/dbraw/zinc/62/18/91/471621891.db2.gz ZOWHCNVJQUALFT-ZACQAIPSSA-N 2 0 336.455 2.150 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000659455184 471635040 /nfs/dbraw/zinc/63/50/40/471635040.db2.gz UXWSFCSLQDLUQC-XVTSOASTSA-N 2 0 330.476 2.249 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659463618 471639760 /nfs/dbraw/zinc/63/97/60/471639760.db2.gz BENRLLMVGKHRGJ-QGZVFWFLSA-N 2 0 326.529 2.417 10 0 EEAERP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659491297 471654176 /nfs/dbraw/zinc/65/41/76/471654176.db2.gz ROGNOOUXJVOSMW-UHFFFAOYSA-N 2 0 334.508 2.084 10 0 EEAERP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659527286 471668012 /nfs/dbraw/zinc/66/80/12/471668012.db2.gz KLKAIHOEHUBHDJ-WMZOPIPTSA-N 2 0 344.503 2.325 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659577183 471684080 /nfs/dbraw/zinc/68/40/80/471684080.db2.gz PGDWKWOFUNPDLY-GUDVDZBRSA-N 2 0 344.503 2.256 10 0 EEAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659580356 471686364 /nfs/dbraw/zinc/68/63/64/471686364.db2.gz QVIPJAFMVMXQND-QRVBRYPASA-N 2 0 344.503 2.114 10 0 EEAERP CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659583589 471687788 /nfs/dbraw/zinc/68/77/88/471687788.db2.gz TZCRSCBSEZQYCC-GUDVDZBRSA-N 2 0 342.487 2.010 10 0 EEAERP CCN(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000667336210 471744877 /nfs/dbraw/zinc/74/48/77/471744877.db2.gz ZSSYAHVDGPNEPT-GOSISDBHSA-N 2 0 336.524 2.234 10 0 EEAERP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000667451328 471783283 /nfs/dbraw/zinc/78/32/83/471783283.db2.gz XDXVIBDNJUSFJK-IBGZPJMESA-N 2 0 330.476 2.398 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1 ZINC000662312643 472065676 /nfs/dbraw/zinc/06/56/76/472065676.db2.gz YGRYQZOTGVWCST-NLWGTHIKSA-N 2 0 342.487 2.472 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000662387748 472094054 /nfs/dbraw/zinc/09/40/54/472094054.db2.gz LZRFLWMWGFNLQB-APWZRJJASA-N 2 0 347.503 2.287 10 0 EEAERP COc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+]2CCCCC2)cc1 ZINC000668602765 472192175 /nfs/dbraw/zinc/19/21/75/472192175.db2.gz KAHMHEJAYSDRHR-OAJJDEHYSA-N 2 0 346.475 2.036 10 0 EEAERP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711305 472218485 /nfs/dbraw/zinc/21/84/85/472218485.db2.gz AAOVBCGRMPJYDZ-MSOLQXFVSA-N 2 0 329.488 2.403 10 0 EEAERP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662787224 472250462 /nfs/dbraw/zinc/25/04/62/472250462.db2.gz JKSLMLDLUPLOGK-OAHLLOKOSA-N 2 0 342.443 2.215 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793636 472253382 /nfs/dbraw/zinc/25/33/82/472253382.db2.gz KWZBELCQLSPAOR-ZFWWWQNUSA-N 2 0 342.443 2.119 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659558675 485577159 /nfs/dbraw/zinc/57/71/59/485577159.db2.gz BNJJHNJNKNPIQN-GOSISDBHSA-N 2 0 338.540 2.386 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000680130743 485896663 /nfs/dbraw/zinc/89/66/63/485896663.db2.gz JPASJLGEZMWYEK-QGZVFWFLSA-N 2 0 342.443 2.394 10 0 EEAERP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000671678607 485969762 /nfs/dbraw/zinc/96/97/62/485969762.db2.gz BJHKYKFFEWNTEE-UHFFFAOYSA-N 2 0 344.484 2.394 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000682915155 486584128 /nfs/dbraw/zinc/58/41/28/486584128.db2.gz LCTJOOIMSLGRHR-HIFRSBDPSA-N 2 0 326.431 2.436 10 0 EEAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000683163379 486623683 /nfs/dbraw/zinc/62/36/83/486623683.db2.gz QSEAZZVRACQMAX-UHFFFAOYSA-N 2 0 327.428 2.286 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000677837683 490619795 /nfs/dbraw/zinc/61/97/95/490619795.db2.gz JOCWOXYZRBBQSW-IBGZPJMESA-N 2 0 345.487 2.456 10 0 EEAERP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415950334 529006679 /nfs/dbraw/zinc/00/66/79/529006679.db2.gz DAKHNINYAOHVHU-UHFFFAOYSA-N 2 0 334.439 2.419 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071881 536851016 /nfs/dbraw/zinc/85/10/16/536851016.db2.gz GFHGPCTWBZDJSB-OTWHNJEPSA-N 2 0 338.467 2.243 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397961021 576122555 /nfs/dbraw/zinc/12/25/55/576122555.db2.gz FCIARASJPGMKSA-MISYRCLQSA-N 2 0 331.504 2.207 10 0 EEAERP CN1CCC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)[C@H]1c1cccs1 ZINC000775392556 577436546 /nfs/dbraw/zinc/43/65/46/577436546.db2.gz JPFYAIDLUVDUFK-YCPHGPKFSA-N 2 0 342.530 2.298 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000760500035 577664216 /nfs/dbraw/zinc/66/42/16/577664216.db2.gz PLKBPULWWHFBKE-ZWKOTPCHSA-N 2 0 346.544 2.238 10 0 EEAERP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262085390 678360553 /nfs/dbraw/zinc/36/05/53/678360553.db2.gz UHJFKAYPQKWZSG-YQQAZPJKSA-N 2 0 340.512 2.295 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261821231 681575101 /nfs/dbraw/zinc/57/51/01/681575101.db2.gz IJBZWWUGVNVWOK-KBPBESRZSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000914244918 683404255 /nfs/dbraw/zinc/40/42/55/683404255.db2.gz TUIUGQXNKXHLRX-KBXCAEBGSA-N 2 0 348.466 2.182 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)N1CC[NH2+]CC1 ZINC000262138986 684015033 /nfs/dbraw/zinc/01/50/33/684015033.db2.gz ONVVJOVVIKKICC-JOCHJYFZSA-N 2 0 349.478 2.456 10 0 EEAERP C[NH+](C)C[C@@H]1CN(Cc2cccc3c2NCCC3)C[C@H]1C[NH+](C)C ZINC000895417773 684593631 /nfs/dbraw/zinc/59/36/31/684593631.db2.gz HPRDMSIJHJCYFB-RTBURBONSA-N 2 0 330.520 2.216 10 0 EEAERP CC[NH+](CC)Cc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000897520465 690830492 /nfs/dbraw/zinc/83/04/92/690830492.db2.gz IAAKTWUBLLBDKY-GOSISDBHSA-N 2 0 331.460 2.188 10 0 EEAERP C[C@H]1[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000925322448 692044498 /nfs/dbraw/zinc/04/44/98/692044498.db2.gz PPANSVJGADSUOW-BZSNNMDCSA-N 2 0 336.524 2.233 10 0 EEAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924668503 693117087 /nfs/dbraw/zinc/11/70/87/693117087.db2.gz QURLFKYJWSLPQX-HBFSDRIKSA-N 2 0 347.551 2.055 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001485765637 1191939357 /nfs/dbraw/zinc/93/93/57/1191939357.db2.gz MTDIOSLZLIQISJ-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)cs1 ZINC001485792365 1191954860 /nfs/dbraw/zinc/95/48/60/1191954860.db2.gz BNEIGGLYDPPHHL-MRXNPFEDSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1csc(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)n1 ZINC001485793254 1191955314 /nfs/dbraw/zinc/95/53/14/1191955314.db2.gz YYIAFWJHLFRDCY-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP C[NH+](CC(=O)NCC[N@@H+](C)CC[C@H]1CCCC1(F)F)C1CCC1 ZINC001480873781 1176531060 /nfs/dbraw/zinc/53/10/60/1176531060.db2.gz LDSGVUSWIBKASH-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCCCCF)C1 ZINC001266855721 1177579192 /nfs/dbraw/zinc/57/91/92/1177579192.db2.gz GCTWYJNDHLRBHI-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691409335 1178016918 /nfs/dbraw/zinc/01/69/18/1178016918.db2.gz BXKAETHTICQILK-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(Cl)ccc1F)[NH+](C)C ZINC001266989186 1178045236 /nfs/dbraw/zinc/04/52/36/1178045236.db2.gz VGHRXPCLGDWOET-HNNXBMFYSA-N 2 0 329.847 2.367 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001267176026 1178414753 /nfs/dbraw/zinc/41/47/53/1178414753.db2.gz XKYUVIJYMLSCFD-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC/C=C/CC[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267206791 1178496505 /nfs/dbraw/zinc/49/65/05/1178496505.db2.gz PDSCFSVCPAXASK-SNAWJCMRSA-N 2 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COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001481246800 1180440858 /nfs/dbraw/zinc/44/08/58/1180440858.db2.gz ZILKKHRYQJVKTK-MJGOQNOKSA-N 2 0 345.487 2.260 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cnc(C)o2)CC1 ZINC001267916651 1180757803 /nfs/dbraw/zinc/75/78/03/1180757803.db2.gz GJLSBZMRUAGMHW-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001267971722 1180886209 /nfs/dbraw/zinc/88/62/09/1180886209.db2.gz CVDSVXLUWDENPG-LJQANCHMSA-N 2 0 344.503 2.428 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCC(F)(F)CC1)[NH+](C)C ZINC001481306050 1180982552 /nfs/dbraw/zinc/98/25/52/1180982552.db2.gz DTRXSEMGRQFPFT-OAHLLOKOSA-N 2 0 333.467 2.446 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCN(Cc1ncccn1)C(C)C ZINC001481358705 1181118261 /nfs/dbraw/zinc/11/82/61/1181118261.db2.gz XIGFHAMXXVTQFP-QGZVFWFLSA-N 2 0 347.507 2.068 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268055338 1181612216 /nfs/dbraw/zinc/61/22/16/1181612216.db2.gz OPUPGRCRFPHFTK-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C(=O)CC[NH+](C)C ZINC001268082270 1181696307 /nfs/dbraw/zinc/69/63/07/1181696307.db2.gz BCFGPCHMFCMKEQ-WMZOPIPTSA-N 2 0 331.504 2.495 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268083088 1181696843 /nfs/dbraw/zinc/69/68/43/1181696843.db2.gz ARTCJHZFGCAFJM-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001268096195 1181737375 /nfs/dbraw/zinc/73/73/75/1181737375.db2.gz ZRPCFBYDFDTWHH-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001268100799 1181746434 /nfs/dbraw/zinc/74/64/34/1181746434.db2.gz PVSBSJQPFVRLAP-VQIMIIECSA-N 2 0 331.504 2.180 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001268121836 1181768273 /nfs/dbraw/zinc/76/82/73/1181768273.db2.gz XUKXMRCGXAENQC-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCCCF ZINC001268136107 1181790764 /nfs/dbraw/zinc/79/07/64/1181790764.db2.gz SPTDYZIQFFYREH-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001268162152 1181873928 /nfs/dbraw/zinc/87/39/28/1181873928.db2.gz JFFRPCZFWQHPPY-GJZGRUSLSA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001691500572 1182074103 /nfs/dbraw/zinc/07/41/03/1182074103.db2.gz RCHJPLNUTADVNB-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001481658759 1182154686 /nfs/dbraw/zinc/15/46/86/1182154686.db2.gz RGFMFWZJEWVCFF-GOSISDBHSA-N 2 0 347.890 2.471 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001268376479 1182396342 /nfs/dbraw/zinc/39/63/42/1182396342.db2.gz XVPRAEJATORPIQ-KBXCAEBGSA-N 2 0 330.476 2.493 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1conc1C ZINC001481827310 1182757211 /nfs/dbraw/zinc/75/72/11/1182757211.db2.gz CGHCRHLVTHTDSC-IRXDYDNUSA-N 2 0 336.480 2.088 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]Cc2cnoc2C)C1 ZINC001481844529 1182786407 /nfs/dbraw/zinc/78/64/07/1182786407.db2.gz ZROWWKLTNCGWAY-NVXWUHKLSA-N 2 0 336.480 2.089 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001481872199 1182856680 /nfs/dbraw/zinc/85/66/80/1182856680.db2.gz SQPHIMKEJHRFSN-IBGZPJMESA-N 2 0 343.515 2.372 10 0 EEAERP Cc1oncc1C[NH2+]C[C@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481933134 1182981164 /nfs/dbraw/zinc/98/11/64/1182981164.db2.gz XQFDRQIMBSZBQE-HKUYNNGSSA-N 2 0 348.491 2.232 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001268746185 1183664703 /nfs/dbraw/zinc/66/47/03/1183664703.db2.gz MBLVBSCTIGYUHV-ZDUSSCGKSA-N 2 0 337.430 2.497 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001268902605 1183800437 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EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCOC(C)C)CC2)CC[N@@H+]1C ZINC001269985750 1184765433 /nfs/dbraw/zinc/76/54/33/1184765433.db2.gz MSEJBNBDGPEBQH-XLAORIBOSA-N 2 0 339.524 2.159 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001482283448 1185052408 /nfs/dbraw/zinc/05/24/08/1185052408.db2.gz MWWPYZRUYHABFO-MAUKXSAKSA-N 2 0 347.478 2.412 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001482283447 1185052865 /nfs/dbraw/zinc/05/28/65/1185052865.db2.gz MWWPYZRUYHABFO-CRAIPNDOSA-N 2 0 347.478 2.412 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCc3cccs3)C2)CC1 ZINC001270788931 1185389909 /nfs/dbraw/zinc/38/99/09/1185389909.db2.gz OJCABWJKNBQRRZ-LJQANCHMSA-N 2 0 349.544 2.461 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482330866 1185415116 /nfs/dbraw/zinc/41/51/16/1185415116.db2.gz MUMRMBJDOUOZAN-UONOGXRCSA-N 2 0 338.883 2.013 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2)C1 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/nfs/dbraw/zinc/92/38/49/1193923849.db2.gz VAHJIJZBAIBVRO-RCCFBDPRSA-N 2 0 346.519 2.432 10 0 EEAERP C[C@H](CC(=O)NCC1=CC[N@H+](C[C@@H]2CCCOC2)CC1)n1ccnc1 ZINC001486516455 1194022074 /nfs/dbraw/zinc/02/20/74/1194022074.db2.gz IGEOMKRHBPCGQT-AEFFLSMTSA-N 2 0 346.475 2.009 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273123160 1194406366 /nfs/dbraw/zinc/40/63/66/1194406366.db2.gz OFLQGQYCWUGYTF-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCOC1 ZINC000872021974 1198027798 /nfs/dbraw/zinc/02/77/98/1198027798.db2.gz UTTCKRZTCHAGBR-QZTJIDSGSA-N 2 0 332.492 2.128 10 0 EEAERP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000872032475 1198032558 /nfs/dbraw/zinc/03/25/58/1198032558.db2.gz UULWYSWXECNZTF-RTBURBONSA-N 2 0 347.503 2.273 10 0 EEAERP CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156627 1198062918 /nfs/dbraw/zinc/06/29/18/1198062918.db2.gz KNJQNEGQNFRNTL-DOTOQJQBSA-N 2 0 330.538 2.431 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000872230397 1198100275 /nfs/dbraw/zinc/10/02/75/1198100275.db2.gz ZPDWRDGDYAARBF-CSLYMUCUSA-N 2 0 343.512 2.115 10 0 EEAERP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872257748 1198114787 /nfs/dbraw/zinc/11/47/87/1198114787.db2.gz VUDAGZXDQGLHLO-QRVBRYPASA-N 2 0 343.471 2.219 10 0 EEAERP CCCc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872257419 1198115309 /nfs/dbraw/zinc/11/53/09/1198115309.db2.gz REEFXYPUEVAKQL-KURKYZTESA-N 2 0 329.444 2.006 10 0 EEAERP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000872280455 1198126621 /nfs/dbraw/zinc/12/66/21/1198126621.db2.gz MZQXCCOEVGQMCF-TYILLQQXSA-N 2 0 328.460 2.259 10 0 EEAERP CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)CC(F)F ZINC000865574465 1198282925 /nfs/dbraw/zinc/28/29/25/1198282925.db2.gz XJHYTPJVFKONQV-GHMZBOCLSA-N 2 0 344.406 2.405 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001280620866 1198328174 /nfs/dbraw/zinc/32/81/74/1198328174.db2.gz OFCHVWANYUZFRY-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001410949345 1198616545 /nfs/dbraw/zinc/61/65/45/1198616545.db2.gz FSVPGAAPABIHLF-WMZOPIPTSA-N 2 0 332.492 2.105 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001411230391 1198940985 /nfs/dbraw/zinc/94/09/85/1198940985.db2.gz CLSCUIISIQNNNB-UONOGXRCSA-N 2 0 335.414 2.107 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCCF)CC1 ZINC001411232669 1198943578 /nfs/dbraw/zinc/94/35/78/1198943578.db2.gz FGDKJBIIXVAJMW-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cccnc2)C1 ZINC001411241254 1198958033 /nfs/dbraw/zinc/95/80/33/1198958033.db2.gz VRWHBDCAHYXTBY-LXPRWKDFSA-N 2 0 330.476 2.035 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000810429007 1199507271 /nfs/dbraw/zinc/50/72/71/1199507271.db2.gz UBMVSZJKROZDLQ-QAPCUYQASA-N 2 0 325.472 2.143 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCCC2(F)F)C[C@H]1C[NH+](C)C ZINC000870017757 1200409814 /nfs/dbraw/zinc/40/98/14/1200409814.db2.gz RCNOBJDLYFCGBW-RBSFLKMASA-N 2 0 331.451 2.010 10 0 EEAERP C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020140 1200410907 /nfs/dbraw/zinc/41/09/07/1200410907.db2.gz FDHHJYHJRBGKLB-MGJGCBFKSA-N 2 0 347.478 2.427 10 0 EEAERP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000870019491 1200410987 /nfs/dbraw/zinc/41/09/87/1200410987.db2.gz GULMTQNHXRUECZ-HUUCEWRRSA-N 2 0 337.895 2.460 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H]1C[NH+](C)C ZINC000870023623 1200413375 /nfs/dbraw/zinc/41/33/75/1200413375.db2.gz FTVNHGSURYXRBJ-GHMZBOCLSA-N 2 0 347.290 2.133 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2conc2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870024758 1200414135 /nfs/dbraw/zinc/41/41/35/1200414135.db2.gz IULXSXTYRLGZRG-HZPDHXFCSA-N 2 0 348.491 2.144 10 0 EEAERP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870893095 1200936593 /nfs/dbraw/zinc/93/65/93/1200936593.db2.gz PQPUDRHDDVFLAD-HBFSDRIKSA-N 2 0 329.488 2.137 10 0 EEAERP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702322 1201583547 /nfs/dbraw/zinc/58/35/47/1201583547.db2.gz ANRAJCKEYNNASD-JXFKEZNVSA-N 2 0 331.504 2.431 10 0 EEAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868661350 1201854720 /nfs/dbraw/zinc/85/47/20/1201854720.db2.gz KZIYBQIJYNFPJR-FGTMMUONSA-N 2 0 336.524 2.233 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001274118370 1204385088 /nfs/dbraw/zinc/38/50/88/1204385088.db2.gz BGZCDNKEFVOPML-IHWYPQMZSA-N 2 0 342.487 2.028 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001274133958 1204395195 /nfs/dbraw/zinc/39/51/95/1204395195.db2.gz OWVKOXXWPVFNOH-ZMBJWTFHSA-N 2 0 344.503 2.451 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCCCCF ZINC001274269532 1204980592 /nfs/dbraw/zinc/98/05/92/1204980592.db2.gz JMHJGUKEKQXQRS-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001274787683 1205165342 /nfs/dbraw/zinc/16/53/42/1205165342.db2.gz SATABNLPQBTUIP-QGZVFWFLSA-N 2 0 347.503 2.261 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001274957444 1205219661 /nfs/dbraw/zinc/21/96/61/1205219661.db2.gz VAJBKNUDKOGPSN-QAPCUYQASA-N 2 0 333.476 2.025 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001275157332 1205269290 /nfs/dbraw/zinc/26/92/90/1205269290.db2.gz QDNINRGRXRZJHC-LPHOPBHVSA-N 2 0 329.488 2.055 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001275305350 1205304799 /nfs/dbraw/zinc/30/47/99/1205304799.db2.gz SGRHPYVIXJCCFT-UHFFFAOYSA-N 2 0 338.883 2.061 10 0 EEAERP CN(CCC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276075988 1205762655 /nfs/dbraw/zinc/76/26/55/1205762655.db2.gz HKJFTXZZUFFIDX-QGZVFWFLSA-N 2 0 349.523 2.061 10 0 EEAERP O[C@H](CN[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCc2ccccc2C1 ZINC000924642616 1206008888 /nfs/dbraw/zinc/00/88/88/1206008888.db2.gz LCMSJWHMKIQMSZ-QHAWAJNXSA-N 2 0 343.515 2.012 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000925333479 1206098825 /nfs/dbraw/zinc/09/88/25/1206098825.db2.gz FENBXTRKRRJAHF-WBVHZDCISA-N 2 0 332.492 2.289 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508277 1206120885 /nfs/dbraw/zinc/12/08/85/1206120885.db2.gz PTRIKEAJFWTNLC-QEJZJMRPSA-N 2 0 339.505 2.151 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000925531727 1206124143 /nfs/dbraw/zinc/12/41/43/1206124143.db2.gz MOLATIJLHDVYDA-BFHYXJOUSA-N 2 0 330.350 2.478 10 0 EEAERP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925584172 1206132296 /nfs/dbraw/zinc/13/22/96/1206132296.db2.gz KMWVOFNNNQQZSC-RTBURBONSA-N 2 0 345.487 2.183 10 0 EEAERP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925592388 1206133250 /nfs/dbraw/zinc/13/32/50/1206133250.db2.gz FTTMCTKFSZZSRZ-FQEVSTJZSA-N 3 0 342.531 2.463 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)ccn1 ZINC000925655057 1206140584 /nfs/dbraw/zinc/14/05/84/1206140584.db2.gz UGRVEWTXMXYDBA-PKOBYXMFSA-N 2 0 333.476 2.317 10 0 EEAERP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C[C@H]2N1CCOCC1 ZINC000925709798 1206145409 /nfs/dbraw/zinc/14/54/09/1206145409.db2.gz VXWDFIUQMRCOAP-MTQWCTHYSA-N 2 0 347.547 2.388 10 0 EEAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777202 1206153059 /nfs/dbraw/zinc/15/30/59/1206153059.db2.gz CDVGZCQGOJZLDW-UONOGXRCSA-N 2 0 325.403 2.262 10 0 EEAERP COc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000925829497 1206157947 /nfs/dbraw/zinc/15/79/47/1206157947.db2.gz OTWPFPMOXWRACU-VCTAVGKDSA-N 2 0 343.265 2.300 10 0 EEAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000925848956 1206159931 /nfs/dbraw/zinc/15/99/31/1206159931.db2.gz LYPKGOCLQFRXOG-INIZCTEOSA-N 2 0 333.476 2.184 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856821 1206161667 /nfs/dbraw/zinc/16/16/67/1206161667.db2.gz XKGJNCJENLMVIA-HOCLYGCPSA-N 2 0 330.428 2.175 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000925902670 1206165886 /nfs/dbraw/zinc/16/58/86/1206165886.db2.gz KCZMEEHNWITSDH-NXHRZFHOSA-N 2 0 347.507 2.199 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000926290490 1206211537 /nfs/dbraw/zinc/21/15/37/1206211537.db2.gz OPZYVVXDDNLJAX-YCJFDJCISA-N 2 0 342.405 2.185 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000926543122 1206226713 /nfs/dbraw/zinc/22/67/13/1206226713.db2.gz PZDOZUGLWPFWOG-VCNSRRRWSA-N 2 0 332.492 2.310 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CCCCC1 ZINC000928089310 1206338687 /nfs/dbraw/zinc/33/86/87/1206338687.db2.gz JXNGPNOEOFDHSY-CVEARBPZSA-N 2 0 339.549 2.195 10 0 EEAERP C[C@@H]1C[NH+](C/C=C\C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)Cc2c[nH]nc21 ZINC000931460186 1207386773 /nfs/dbraw/zinc/38/67/73/1207386773.db2.gz FGYDVFKEXCJGHY-JHZNUDOXSA-N 2 0 326.448 2.227 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724656032 1230676180 /nfs/dbraw/zinc/67/61/80/1230676180.db2.gz KMZQOJMVTJLJBK-RUGGUXRKSA-N 2 0 330.472 2.291 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000900895792 1234969995 /nfs/dbraw/zinc/96/99/95/1234969995.db2.gz RORJYSNYDWGHGT-GOSISDBHSA-N 2 0 327.472 2.063 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900915322 1234997179 /nfs/dbraw/zinc/99/71/79/1234997179.db2.gz OJUDIPBRRWTSRP-SFHVURJKSA-N 2 0 327.472 2.205 10 0 EEAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902793879 1238545903 /nfs/dbraw/zinc/54/59/03/1238545903.db2.gz OAAJECKJQYYUKG-HKUYNNGSSA-N 2 0 331.504 2.243 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC(C)C)CCOC2)[C@H](C)C1 ZINC000903359269 1240305324 /nfs/dbraw/zinc/30/53/24/1240305324.db2.gz BLVYNTAGICPXJP-CEXWTWQISA-N 2 0 342.524 2.297 10 0 EEAERP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496411 1240673264 /nfs/dbraw/zinc/67/32/64/1240673264.db2.gz MSQVSZXMIXEYHL-RBSFLKMASA-N 2 0 333.501 2.431 10 0 EEAERP c1ccc(OCCCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903508448 1240726851 /nfs/dbraw/zinc/72/68/51/1240726851.db2.gz HFXMZYZHNLSJFV-KDURUIRLSA-N 2 0 329.488 2.356 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(N(C)C)c2)cnn1C ZINC000903898528 1242389907 /nfs/dbraw/zinc/38/99/07/1242389907.db2.gz ORQKTPZSAXEAFL-KRWDZBQOSA-N 2 0 329.492 2.044 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cnn1C ZINC000903904384 1242416801 /nfs/dbraw/zinc/41/68/01/1242416801.db2.gz TYXNWQRHWHWOGQ-DNVCBOLYSA-N 2 0 328.460 2.389 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000903931588 1242550319 /nfs/dbraw/zinc/55/03/19/1242550319.db2.gz FSSWLDDREPLONC-SJORKVTESA-N 2 0 340.475 2.109 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000903935028 1242567568 /nfs/dbraw/zinc/56/75/68/1242567568.db2.gz LAMLMVFCFGOJPW-HNNXBMFYSA-N 2 0 335.521 2.312 10 0 EEAERP Cc1c(C[C@H](C[NH3+])CN2CCC(C)([NH+]3CCCCC3)CC2)cnn1C ZINC000903937247 1242582190 /nfs/dbraw/zinc/58/21/90/1242582190.db2.gz GFKSVMOKWXNNNX-GOSISDBHSA-N 2 0 347.551 2.186 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCCC[NH+]2CCCCC2)cnn1C ZINC000903947780 1242660736 /nfs/dbraw/zinc/66/07/36/1242660736.db2.gz HQJHQJHTYZJNOL-GOSISDBHSA-N 3 0 335.540 2.044 10 0 EEAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955950 1242707129 /nfs/dbraw/zinc/70/71/29/1242707129.db2.gz CUWJKBCSALYDPO-CHWSQXEVSA-N 2 0 341.402 2.247 10 0 EEAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903958434 1242726160 /nfs/dbraw/zinc/72/61/60/1242726160.db2.gz ZZLOQUAQDJZGEZ-VXGBXAGGSA-N 2 0 329.366 2.377 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001491047396 1258606305 /nfs/dbraw/zinc/60/63/05/1258606305.db2.gz IFPBFRVTHQEVJK-IYBDPMFKSA-N 2 0 337.895 2.461 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2cncn2C)C1)c1ccccc1F ZINC001491075745 1258641015 /nfs/dbraw/zinc/64/10/15/1258641015.db2.gz MDZFRWHSOJUCFM-SOUVJXGZSA-N 2 0 344.434 2.490 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001491150951 1258729556 /nfs/dbraw/zinc/72/95/56/1258729556.db2.gz AWHFHNLFBDXQGQ-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1CCc1ccccc1F ZINC001491236483 1258824972 /nfs/dbraw/zinc/82/49/72/1258824972.db2.gz MBTFSESQNUGEGH-GOSISDBHSA-N 2 0 347.478 2.435 10 0 EEAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001491487107 1259137965 /nfs/dbraw/zinc/13/79/65/1259137965.db2.gz UUCBCNCXGWJKIQ-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505328 1259156680 /nfs/dbraw/zinc/15/66/80/1259156680.db2.gz VVEIHCCGEDHRGY-XJKSGUPXSA-N 2 0 338.521 2.166 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001273445231 1278416212 /nfs/dbraw/zinc/41/62/12/1278416212.db2.gz JVTGWUXWJNZSBW-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267900003 1276821741 /nfs/dbraw/zinc/82/17/41/1276821741.db2.gz SAYGTRDELWPHDV-GOSISDBHSA-N 2 0 344.503 2.204 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCO[C@H](C)C1)C(=O)CC[NH+]1CCCCC1 ZINC001273764972 1285089798 /nfs/dbraw/zinc/08/97/98/1285089798.db2.gz LAVTYBXAXZBOKS-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP COC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001273847732 1286715618 /nfs/dbraw/zinc/71/56/18/1286715618.db2.gz CNIYMQCTKBBJPC-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1sccc1Cl ZINC001273912370 1289797431 /nfs/dbraw/zinc/79/74/31/1289797431.db2.gz XYEYUDJYXJMOAD-ZRMMWKCHSA-N 2 0 327.881 2.258 10 0 EEAERP Cc1cnc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[N@@H+](C)C(C)C)o1 ZINC001489055683 1290346029 /nfs/dbraw/zinc/34/60/29/1290346029.db2.gz FGJCWCQFEJVOLM-ZBFHGGJFSA-N 2 0 336.480 2.040 10 0 EEAERP COCc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)cc1 ZINC001489315453 1290507111 /nfs/dbraw/zinc/50/71/11/1290507111.db2.gz WITLCPYTBYXJPI-APWZRJJASA-N 2 0 347.503 2.252 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H]1CCc2c1cccc2F ZINC001490279737 1291106508 /nfs/dbraw/zinc/10/65/08/1291106508.db2.gz OIGFDCCIVQJWOO-GOSISDBHSA-N 2 0 333.451 2.347 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)n1 ZINC001490301703 1291135900 /nfs/dbraw/zinc/13/59/00/1291135900.db2.gz DPRAWGPOVHBRJG-WMZOPIPTSA-N 2 0 349.523 2.104 10 0 EEAERP CCN(CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ncccn1 ZINC001490348739 1291169241 /nfs/dbraw/zinc/16/92/41/1291169241.db2.gz HFOXDPQOHDODJO-KRWDZBQOSA-N 2 0 347.507 2.069 10 0 EEAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001490618703 1291529279 /nfs/dbraw/zinc/52/92/79/1291529279.db2.gz PBHXHRVWVDBBAE-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000851796540 1291839678 /nfs/dbraw/zinc/83/96/78/1291839678.db2.gz HCZHSWMZCBQBLC-KKUMJFAQSA-N 2 0 336.413 2.376 10 0 EEAERP CCCCCC[C@](O)(C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852107672 1291995115 /nfs/dbraw/zinc/99/51/15/1291995115.db2.gz OAPSIIUYCLWAFN-MOPGFXCFSA-N 2 0 340.508 2.279 10 0 EEAERP C[C@H](NC(=O)C=C1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888236 1292226550 /nfs/dbraw/zinc/22/65/50/1292226550.db2.gz VTHCDUJWFUIJCM-LPHOPBHVSA-N 2 0 327.472 2.323 10 0 EEAERP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC000854734954 1292933183 /nfs/dbraw/zinc/93/31/83/1292933183.db2.gz GNAGFVHFFCQAPG-ROUUACIJSA-N 2 0 325.472 2.143 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855899163 1293361268 /nfs/dbraw/zinc/36/12/68/1293361268.db2.gz HEEWVKOWJZNWNJ-CRAIPNDOSA-N 2 0 327.488 2.436 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](O)C(C)(C)C)C2)ccn1 ZINC000856584469 1293572744 /nfs/dbraw/zinc/57/27/44/1293572744.db2.gz KQKYVHMZRULLMR-ZWKOTPCHSA-N 2 0 335.492 2.393 10 0 EEAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000858677160 1294189248 /nfs/dbraw/zinc/18/92/48/1294189248.db2.gz SUXRCVQRYKVWSP-MOPGFXCFSA-N 2 0 341.499 2.357 10 0 EEAERP CC1(C)[C@@H](O)CC[NH+]1CC[Si](C)(C)CC[N@H+]1CC[C@H](O)C1(C)C ZINC000859311374 1294387655 /nfs/dbraw/zinc/38/76/55/1294387655.db2.gz XVQXOMLKEXGNME-HOTGVXAUSA-N 2 0 342.600 2.385 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001490928323 1299584788 /nfs/dbraw/zinc/58/47/88/1299584788.db2.gz MGBZKBBIMIYNTO-CYDGBPFRSA-N 2 0 336.307 2.147 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362941 1302659151 /nfs/dbraw/zinc/65/91/51/1302659151.db2.gz OPWSXIJEJBBHDE-YJBOKZPZSA-N 2 0 347.507 2.034 10 0 EEAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001413819109 1303143138 /nfs/dbraw/zinc/14/31/38/1303143138.db2.gz QLWKSFJRSZTZJM-KBAYOESNSA-N 2 0 332.492 2.413 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001277727387 1304277096 /nfs/dbraw/zinc/27/70/96/1304277096.db2.gz USOKKBKQEXTIHZ-IBGZPJMESA-N 2 0 329.488 2.152 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C(C)C)[C@H](C)C1 ZINC001277762988 1304362497 /nfs/dbraw/zinc/36/24/97/1304362497.db2.gz HDISBUYNJAJRGD-HZPDHXFCSA-N 2 0 336.480 2.012 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCC(F)(F)F)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001278281081 1308956019 /nfs/dbraw/zinc/95/60/19/1308956019.db2.gz COURLOIUMMBGEK-AWEZNQCLSA-N 2 0 347.425 2.299 10 0 EEAERP CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001278390608 1309999426 /nfs/dbraw/zinc/99/94/26/1309999426.db2.gz JLVRHCXNUOJWAS-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)Nc2cccc(OCC[NH3+])c2)cc(Cl)n1 ZINC000841847595 1315622012 /nfs/dbraw/zinc/62/20/12/1315622012.db2.gz BFJRGBYQUXFTJV-HNNXBMFYSA-N 2 0 348.834 2.410 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001278667007 1317603986 /nfs/dbraw/zinc/60/39/86/1317603986.db2.gz KRAVGFGMHJDSTO-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001264122416 1322634605 /nfs/dbraw/zinc/63/46/05/1322634605.db2.gz MOWMCHWBMHWKGZ-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001264683428 1322782616 /nfs/dbraw/zinc/78/26/16/1322782616.db2.gz CVKGWFKMEKJKTR-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001264739137 1322796194 /nfs/dbraw/zinc/79/61/94/1322796194.db2.gz SFWZFOFIGWBRGP-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](Cc2ccccc2)C2CC2)C1 ZINC001265175891 1322967798 /nfs/dbraw/zinc/96/77/98/1322967798.db2.gz ONOIGOJJXIREHK-QGZVFWFLSA-N 2 0 329.488 2.499 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001265287879 1323039489 /nfs/dbraw/zinc/03/94/89/1323039489.db2.gz JKISLISGROXGQU-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001265571393 1323224269 /nfs/dbraw/zinc/22/42/69/1323224269.db2.gz NQGKRBXKPAPXDM-YTQUADARSA-N 2 0 349.519 2.082 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCOC2CCC2)CCC1 ZINC001265673281 1323313135 /nfs/dbraw/zinc/31/31/35/1323313135.db2.gz BMBUTQMQDLJLIX-MRXNPFEDSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cc(C[NH2+]C2CCC(NC(=O)CCCC[NH+](C)C)CC2)on1 ZINC001265743408 1323360199 /nfs/dbraw/zinc/36/01/99/1323360199.db2.gz OMUSOJXIVSSLAP-UHFFFAOYSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1c(F)cccc1F ZINC001265758682 1323365939 /nfs/dbraw/zinc/36/59/39/1323365939.db2.gz IGFFYBOPAJBTPW-DYVFJYSZSA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001265832720 1323409959 /nfs/dbraw/zinc/40/99/59/1323409959.db2.gz PNVOMXWVOWDDKV-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cnc([C@H](C)[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001265933726 1323498028 /nfs/dbraw/zinc/49/80/28/1323498028.db2.gz QXFKOXZOFSQAME-INIZCTEOSA-N 2 0 347.507 2.016 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266113723 1323681919 /nfs/dbraw/zinc/68/19/19/1323681919.db2.gz RWYIUQZNTIFSPQ-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCOc1ccccc1 ZINC001266169817 1323739123 /nfs/dbraw/zinc/73/91/23/1323739123.db2.gz HRPDAWRDNCAQBS-SQNIBIBYSA-N 2 0 347.503 2.280 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1cncs1 ZINC001266203686 1323766892 /nfs/dbraw/zinc/76/68/92/1323766892.db2.gz HYXCFQYGEOECOW-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001279581842 1323945451 /nfs/dbraw/zinc/94/54/51/1323945451.db2.gz KMFWTHPJIGMCHO-DOTOQJQBSA-N 2 0 325.472 2.357 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(OC)c2)C1)[NH+](C)C ZINC001280198005 1324111018 /nfs/dbraw/zinc/11/10/18/1324111018.db2.gz MRJOUOANMHFPBR-APWZRJJASA-N 2 0 347.503 2.364 10 0 EEAERP O=C(NCC1([NH2+]CCCCCF)CCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001280534093 1324281927 /nfs/dbraw/zinc/28/19/27/1324281927.db2.gz OFSMITWPDQVTTE-KRWDZBQOSA-N 2 0 325.472 2.241 10 0 EEAERP O=C(NC1CC(C[NH2+]CC[C@@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC001282016309 1325571578 /nfs/dbraw/zinc/57/15/78/1325571578.db2.gz XCEACEYIRPVDEU-ABHNRTSZSA-N 2 0 349.519 2.058 10 0 EEAERP CCc1cccc(OCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001283900785 1326309625 /nfs/dbraw/zinc/30/96/25/1326309625.db2.gz XDRROTKPBIADTE-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001284002789 1326357634 /nfs/dbraw/zinc/35/76/34/1326357634.db2.gz YLIXWZXDRRNRON-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001284155650 1326438962 /nfs/dbraw/zinc/43/89/62/1326438962.db2.gz WAKOJIAICSIGIM-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CCOC2CCC2)CC1 ZINC001284928937 1326780676 /nfs/dbraw/zinc/78/06/76/1326780676.db2.gz SDYLBAMTNFUADQ-GOSISDBHSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1ccc(F)cc1C[N@H+]1CC=C(CNC(=O)Cc2ncc[nH]2)CC1 ZINC001284967016 1326799737 /nfs/dbraw/zinc/79/97/37/1326799737.db2.gz BABXQCQMGIHKNV-UHFFFAOYSA-N 2 0 342.418 2.348 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001491896163 1330294254 /nfs/dbraw/zinc/29/42/54/1330294254.db2.gz KVPZLRHBJIPQMR-CABCVRRESA-N 2 0 338.521 2.309 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C[C@H](OC)C2CCC2)C1 ZINC001491958190 1330352246 /nfs/dbraw/zinc/35/22/46/1330352246.db2.gz ARQFXFCOJCKFJM-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492068390 1330441560 /nfs/dbraw/zinc/44/15/60/1330441560.db2.gz YJFSXSOLJLBFHS-AWEZNQCLSA-N 2 0 336.480 2.096 10 0 EEAERP CCc1cccc(C[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001492113343 1330482754 /nfs/dbraw/zinc/48/27/54/1330482754.db2.gz RCGVAFGFDFCLAB-MRXNPFEDSA-N 2 0 329.488 2.329 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cnc(C)o1)[NH+](C)C ZINC001492175795 1331054058 /nfs/dbraw/zinc/05/40/58/1331054058.db2.gz LMRYQEKYIJXAQY-WBVHZDCISA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316688819 1331339383 /nfs/dbraw/zinc/33/93/83/1331339383.db2.gz RHQYPJBRCMSALK-YOEHRIQHSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CC(F)(F)C1 ZINC001316854277 1331470801 /nfs/dbraw/zinc/47/08/01/1331470801.db2.gz OAEDMAGVAOBWAA-JKSUJKDBSA-N 2 0 343.462 2.487 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCF)CC1 ZINC001316936289 1331819926 /nfs/dbraw/zinc/81/99/26/1331819926.db2.gz YPHOAIQEACGIQW-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001316717278 1331860504 /nfs/dbraw/zinc/86/05/04/1331860504.db2.gz PQJOJKQJXRFIIG-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)C[NH+](C)C2CCC2)c(C)n1 ZINC001316828583 1331918499 /nfs/dbraw/zinc/91/84/99/1331918499.db2.gz QHMRKVMZLZGPDQ-UHFFFAOYSA-N 2 0 332.492 2.121 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1F)C1CCC1 ZINC001316828320 1331918584 /nfs/dbraw/zinc/91/85/84/1331918584.db2.gz MKKAYPBYEGFYPI-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ccncc1C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316868830 1331939972 /nfs/dbraw/zinc/93/99/72/1331939972.db2.gz AMLSYABSHQMONJ-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCOC1CCC1 ZINC001316881854 1331948191 /nfs/dbraw/zinc/94/81/91/1331948191.db2.gz WQRAWVMMTLUNKI-FUHWJXTLSA-N 2 0 339.524 2.255 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCOC1CCC1 ZINC001316881856 1331948520 /nfs/dbraw/zinc/94/85/20/1331948520.db2.gz WQRAWVMMTLUNKI-WMZOPIPTSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1nocc1C[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001316926742 1331994379 /nfs/dbraw/zinc/99/43/79/1331994379.db2.gz FIAVRXQADXQSSR-HUUCEWRRSA-N 2 0 348.491 2.327 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001316991930 1332033500 /nfs/dbraw/zinc/03/35/00/1332033500.db2.gz UZIBGQADBAKHHG-KRWDZBQOSA-N 2 0 333.476 2.118 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001317086239 1332073778 /nfs/dbraw/zinc/07/37/78/1332073778.db2.gz FMYPKVXQNJURJY-ATZDWAIDSA-N 2 0 347.478 2.337 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001317098825 1332078036 /nfs/dbraw/zinc/07/80/36/1332078036.db2.gz REGMLIRNFVURHC-YQQQUEKLSA-N 2 0 344.503 2.425 10 0 EEAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317177541 1332115921 /nfs/dbraw/zinc/11/59/21/1332115921.db2.gz VLKGANXTGHOMJR-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001317187343 1332121369 /nfs/dbraw/zinc/12/13/69/1332121369.db2.gz AMLBDDKPLGZKAY-QGZVFWFLSA-N 2 0 335.467 2.345 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCF)[C@@H](c2ccccc2)C1 ZINC001317193630 1332124444 /nfs/dbraw/zinc/12/44/44/1332124444.db2.gz HRUUTEGNXIIIFJ-OTWHNJEPSA-N 2 0 347.478 2.272 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCOCC1 ZINC001317196624 1332126042 /nfs/dbraw/zinc/12/60/42/1332126042.db2.gz FDMPBHCQTPKRDE-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CCCCC(F)(F)F)C2)CC1 ZINC001317334416 1332183481 /nfs/dbraw/zinc/18/34/81/1332183481.db2.gz RVPDJUKEJYQQCZ-CQSZACIVSA-N 2 0 349.441 2.499 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317437790 1332240980 /nfs/dbraw/zinc/24/09/80/1332240980.db2.gz XKYVYKYLOHVZEA-CRAIPNDOSA-N 2 0 348.491 2.186 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317595719 1332316681 /nfs/dbraw/zinc/31/66/81/1332316681.db2.gz AOABKAUUEAHAEX-MRXNPFEDSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001317660964 1332355583 /nfs/dbraw/zinc/35/55/83/1332355583.db2.gz NUTSSUZYJUQIJB-UHFFFAOYSA-N 2 0 332.492 2.204 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001317669428 1332361558 /nfs/dbraw/zinc/36/15/58/1332361558.db2.gz ILNXPOPPTWBOES-UHFFFAOYSA-N 2 0 344.459 2.215 10 0 EEAERP Cc1nc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)oc1C ZINC001318873741 1332615384 /nfs/dbraw/zinc/61/53/84/1332615384.db2.gz CILILIIBFVZXIO-KRWDZBQOSA-N 2 0 348.491 2.104 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001318959590 1332629402 /nfs/dbraw/zinc/62/94/02/1332629402.db2.gz TZNLKGHANGMOOH-QAQDUYKDSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)[C@@H](C(=O)NCc1ccc(C[NH2+]CCF)cc1)[NH+]1CCCC1 ZINC001319008329 1332636467 /nfs/dbraw/zinc/63/64/67/1332636467.db2.gz AXXHWAPDYWCUPQ-SFHVURJKSA-N 2 0 335.467 2.482 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCCC1CCOCC1 ZINC001319209280 1332665576 /nfs/dbraw/zinc/66/55/76/1332665576.db2.gz OIOALEHZIGGMLP-AEFFLSMTSA-N 2 0 339.524 2.019 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319224171 1332667515 /nfs/dbraw/zinc/66/75/15/1332667515.db2.gz FTSBLCIIEYDGEA-VQIMIIECSA-N 2 0 331.504 2.228 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001319749381 1332757998 /nfs/dbraw/zinc/75/79/98/1332757998.db2.gz FHBIPILQZCHYIM-MOPGFXCFSA-N 2 0 333.520 2.489 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001319775176 1332764619 /nfs/dbraw/zinc/76/46/19/1332764619.db2.gz RDRUKSLJGGENNJ-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001319791307 1332769391 /nfs/dbraw/zinc/76/93/91/1332769391.db2.gz LDHJCNKYDHBTBQ-OALUTQOASA-N 2 0 344.503 2.203 10 0 EEAERP C[C@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001319830213 1332778716 /nfs/dbraw/zinc/77/87/16/1332778716.db2.gz CWUYBILHEJQAFS-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001319851529 1332784077 /nfs/dbraw/zinc/78/40/77/1332784077.db2.gz WGYDNPFHAQUOSA-CXAGYDPISA-N 2 0 332.423 2.443 10 0 EEAERP CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCF)[NH+]1CCCCC1 ZINC001320135888 1332835803 /nfs/dbraw/zinc/83/58/03/1332835803.db2.gz XZCSPSGYURIBJE-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320549318 1332907732 /nfs/dbraw/zinc/90/77/32/1332907732.db2.gz QQRWLDRCAGEKSM-OAHLLOKOSA-N 2 0 334.508 2.352 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320547967 1332907812 /nfs/dbraw/zinc/90/78/12/1332907812.db2.gz IGOAJNNOIATHAQ-HOTGVXAUSA-N 2 0 345.487 2.043 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]Cc1cncc(F)c1 ZINC001320753024 1332945516 /nfs/dbraw/zinc/94/55/16/1332945516.db2.gz QYIOCXGSAXWDDL-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)cc2F)CCC1 ZINC001321091816 1333017362 /nfs/dbraw/zinc/01/73/62/1333017362.db2.gz JVSYTUMZESOWQQ-ARJAWSKDSA-N 2 0 337.414 2.211 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC001321211950 1333045750 /nfs/dbraw/zinc/04/57/50/1333045750.db2.gz VBIPJRDFTGJJTH-JZIMQPMSSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321249990 1333055216 /nfs/dbraw/zinc/05/52/16/1333055216.db2.gz MYNHZHPSHORAKO-DEUPEYTOSA-N 2 0 331.451 2.209 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321285201 1333064131 /nfs/dbraw/zinc/06/41/31/1333064131.db2.gz JWFKNVNHPKLSQM-VNHAASDWSA-N 2 0 348.516 2.230 10 0 EEAERP O=C(Cn1ccnc1)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1F ZINC001321433875 1333104331 /nfs/dbraw/zinc/10/43/31/1333104331.db2.gz XSJCUFLNTDNYII-OWOJBTEDSA-N 2 0 336.798 2.138 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001322512484 1333274239 /nfs/dbraw/zinc/27/42/39/1333274239.db2.gz VJOZHOCXTSUPHM-ZBFHGGJFSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1cnc(Cl)s1 ZINC001322843614 1333339221 /nfs/dbraw/zinc/33/92/21/1333339221.db2.gz DHIJYGLBYCVAMP-UHFFFAOYSA-N 2 0 332.901 2.075 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001324180561 1333629599 /nfs/dbraw/zinc/62/95/99/1333629599.db2.gz KVFVCLJDPWKTCE-QWHCGFSZSA-N 2 0 334.291 2.370 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1 ZINC001324274137 1333647648 /nfs/dbraw/zinc/64/76/48/1333647648.db2.gz RZUNRKBWHFAQLE-HXUWFJFHSA-N 2 0 343.515 2.468 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cnc(C)o2)C1 ZINC001326288984 1334060581 /nfs/dbraw/zinc/06/05/81/1334060581.db2.gz PVHVQAKZJXRIEA-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1nccn1CC(=O)N(C)CCC[N@H+](C)Cc1cccc(Cl)n1 ZINC001327291633 1334260143 /nfs/dbraw/zinc/26/01/43/1334260143.db2.gz ROAYMJPUQBBNRN-UHFFFAOYSA-N 2 0 349.866 2.220 10 0 EEAERP CCOCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001327881662 1334358872 /nfs/dbraw/zinc/35/88/72/1334358872.db2.gz ODJUPNVXXOTCIO-RDJZCZTQSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001329969211 1334750601 /nfs/dbraw/zinc/75/06/01/1334750601.db2.gz AOTQPCUFCGMWRI-OCCSQVGLSA-N 2 0 335.414 2.250 10 0 EEAERP Cc1ncc(C[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)s1 ZINC001330836868 1334912335 /nfs/dbraw/zinc/91/23/35/1334912335.db2.gz SAEAXRJKPUQQQG-CYBMUJFWSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ncoc1C[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330932192 1334929897 /nfs/dbraw/zinc/92/98/97/1334929897.db2.gz OMAIHVFJWROCIW-AWEZNQCLSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001331471554 1335019583 /nfs/dbraw/zinc/01/95/83/1335019583.db2.gz DLLYZIJCSVJVMC-DOTOQJQBSA-N 2 0 345.491 2.009 10 0 EEAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC001331900346 1335670578 /nfs/dbraw/zinc/67/05/78/1335670578.db2.gz AFQHTAYXHICRQS-ZBFHGGJFSA-N 2 0 327.432 2.260 10 0 EEAERP CC(C)[N@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001333407281 1336038237 /nfs/dbraw/zinc/03/82/37/1336038237.db2.gz URKRLIYIEFNZGL-SFHVURJKSA-N 2 0 325.472 2.356 10 0 EEAERP C[C@@H](CC(=O)NCC1=CC[N@H+](CC2CCOCC2)CC1)n1ccnc1 ZINC001333417984 1336040977 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0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCOC)C1 ZINC001566746198 1342622755 /nfs/dbraw/zinc/62/27/55/1342622755.db2.gz CPUKHNOKJRIPIK-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001566753011 1342623989 /nfs/dbraw/zinc/62/39/89/1342623989.db2.gz WLJAKSFMQLHXET-AKHDSKFASA-N 2 0 349.519 2.105 10 0 EEAERP CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001566757749 1342624853 /nfs/dbraw/zinc/62/48/53/1342624853.db2.gz NPZIRUSMZLEUBO-AKHDSKFASA-N 2 0 349.519 2.105 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567136245 1342699717 /nfs/dbraw/zinc/69/97/17/1342699717.db2.gz WAUSNCBNNIBPJQ-YLJYHZDGSA-N 2 0 343.515 2.324 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(Cl)n2)C1 ZINC001567198703 1342709674 /nfs/dbraw/zinc/70/96/74/1342709674.db2.gz MRRQSNYCTLRXHR-HNNXBMFYSA-N 2 0 338.883 2.110 10 0 EEAERP 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1343233089 /nfs/dbraw/zinc/23/30/89/1343233089.db2.gz PCRJFVJNGWZSKM-SJLPKXTDSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571542499 1343233282 /nfs/dbraw/zinc/23/32/82/1343233282.db2.gz PCRJFVJNGWZSKM-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCOC)CC1 ZINC001571644429 1343259602 /nfs/dbraw/zinc/25/96/02/1343259602.db2.gz QFSZJLBJGWOLFA-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC001624428312 1352420976 /nfs/dbraw/zinc/42/09/76/1352420976.db2.gz LWJCDBZSAYZBSS-UHFFFAOYSA-N 2 0 329.488 2.425 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccc(F)cc1 ZINC001645853258 1352805161 /nfs/dbraw/zinc/80/51/61/1352805161.db2.gz JNAUBWDGYLOGCO-QBPKDAKJSA-N 2 0 334.439 2.140 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncs1 ZINC001649469461 1353522712 /nfs/dbraw/zinc/52/27/12/1353522712.db2.gz GOLRIKPULIUCTN-HOCLYGCPSA-N 2 0 338.521 2.392 10 0 EEAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001660304014 1354435121 /nfs/dbraw/zinc/43/51/21/1354435121.db2.gz MUNMCUZHZYRUBT-PBHICJAKSA-N 2 0 333.467 2.385 10 0 EEAERP C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccn1)[NH+]1CCCCCC1 ZINC001660321083 1354438680 /nfs/dbraw/zinc/43/86/80/1354438680.db2.gz ACQRBOVUCTWAFS-KRWDZBQOSA-N 2 0 332.492 2.284 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)C[C@@H]1CCCOC1 ZINC001660322999 1354440182 /nfs/dbraw/zinc/44/01/82/1354440182.db2.gz YZMLOXLUYVIVTH-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660744214 1354529826 /nfs/dbraw/zinc/52/98/26/1354529826.db2.gz CBZQKMORUSCPCV-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001660847985 1354550475 /nfs/dbraw/zinc/55/04/75/1354550475.db2.gz UEHCUDGQFUXDRQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccccc3Cl)C2)C1 ZINC001661686033 1354671890 /nfs/dbraw/zinc/67/18/90/1354671890.db2.gz DUXDLFVJZPOACF-ZACQAIPSSA-N 2 0 349.906 2.461 10 0 EEAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2cccnc2)CC1 ZINC001662138261 1354753528 /nfs/dbraw/zinc/75/35/28/1354753528.db2.gz FDDTXLTXRVNEJG-UHFFFAOYSA-N 2 0 332.492 2.331 10 0 EEAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001662557808 1354805786 /nfs/dbraw/zinc/80/57/86/1354805786.db2.gz IWGYTPWGOFUQEB-RTRPANQVSA-N 2 0 337.508 2.034 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001662713269 1354830350 /nfs/dbraw/zinc/83/03/50/1354830350.db2.gz YZYMSWRSGOOJHE-JSGCOSHPSA-N 2 0 336.307 2.330 10 0 EEAERP CN(CC[NH2+]CCc1ccc(F)c(F)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001663985823 1355067974 /nfs/dbraw/zinc/06/79/74/1355067974.db2.gz NEZYFQXYWQAXLB-UHFFFAOYSA-N 2 0 339.430 2.040 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001663996032 1355069946 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EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668065228 1355860374 /nfs/dbraw/zinc/86/03/74/1355860374.db2.gz HJORVTMTKCPKRE-QMTMVMCOSA-N 2 0 345.487 2.041 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668310646 1355921687 /nfs/dbraw/zinc/92/16/87/1355921687.db2.gz WWGXDORYFRHZNM-ZFWWWQNUSA-N 2 0 336.480 2.043 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001668382006 1355931595 /nfs/dbraw/zinc/93/15/95/1355931595.db2.gz PVNYSDDOPMISQZ-QGZVFWFLSA-N 2 0 339.430 2.040 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C(C)C)nc1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668640524 1355977850 /nfs/dbraw/zinc/97/78/50/1355977850.db2.gz CTGTWBNOBCLVOI-GOSISDBHSA-N 2 0 346.519 2.403 10 0 EEAERP CCN(CC[NH2+]Cc1scnc1C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668651893 1355979353 /nfs/dbraw/zinc/97/93/53/1355979353.db2.gz ASQIYHHYKVMOKV-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001669139364 1356104690 /nfs/dbraw/zinc/10/46/90/1356104690.db2.gz NTMRKMSGGJLSOA-YIEVGGLXSA-N 2 0 335.517 2.469 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001669182295 1356118358 /nfs/dbraw/zinc/11/83/58/1356118358.db2.gz BWIYASWXYJEXBX-WOMSROEHSA-N 2 0 337.414 2.338 10 0 EEAERP CN(CCC[NH2+]CCc1cccs1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001670327411 1356320911 /nfs/dbraw/zinc/32/09/11/1356320911.db2.gz ACPGKENTMWGPLL-SFHVURJKSA-N 2 0 335.517 2.215 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001670357689 1356327256 /nfs/dbraw/zinc/32/72/56/1356327256.db2.gz NVDLODGYIOVSQL-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001671530381 1356357331 /nfs/dbraw/zinc/35/73/31/1356357331.db2.gz LUNRTQBUNUOCLE-RYRNWLTQSA-N 2 0 339.911 2.345 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001672320329 1356500417 /nfs/dbraw/zinc/50/04/17/1356500417.db2.gz HIVNYPPKBRPWIU-BPZRLTIMSA-N 2 0 327.900 2.155 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692329841 1405003220 /nfs/dbraw/zinc/00/32/20/1405003220.db2.gz OEEXJYIRHSNRPN-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001698738305 1405037735 /nfs/dbraw/zinc/03/77/35/1405037735.db2.gz OLEWPSJKGMYNGM-LPHOPBHVSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C[NH2+]CCc1ccccc1F ZINC001698775697 1405056043 /nfs/dbraw/zinc/05/60/43/1405056043.db2.gz WHVKIELMWXEHAV-JXFKEZNVSA-N 2 0 347.478 2.196 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]C/C=C\Cl ZINC001698947589 1405178023 /nfs/dbraw/zinc/17/80/23/1405178023.db2.gz BEWCYHPKXGBOBJ-LGIYYPAKSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106865 1405262307 /nfs/dbraw/zinc/26/23/07/1405262307.db2.gz PLHZUBVICXUMBY-CRAIPNDOSA-N 2 0 348.491 2.374 10 0 EEAERP COCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001699444099 1405358342 /nfs/dbraw/zinc/35/83/42/1405358342.db2.gz WXFWYWKDOCMSGS-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001699444101 1405359660 /nfs/dbraw/zinc/35/96/60/1405359660.db2.gz WXFWYWKDOCMSGS-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1cc(O)ccc1Cl ZINC001699554335 1405392930 /nfs/dbraw/zinc/39/29/30/1405392930.db2.gz OOZROTAPRJTOFL-UHFFFAOYSA-N 2 0 341.883 2.324 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699947490 1405598118 /nfs/dbraw/zinc/59/81/18/1405598118.db2.gz DZQAUXQWMDBBTJ-SJORKVTESA-N 2 0 332.492 2.140 10 0 EEAERP Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)o1 ZINC000675009023 769024782 /nfs/dbraw/zinc/02/47/82/769024782.db2.gz COHWJWXQXQPLPP-GOSISDBHSA-N 2 0 345.487 2.497 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000846690970 790411449 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329.488 2.451 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000923170662 789048688 /nfs/dbraw/zinc/04/86/88/789048688.db2.gz LFKGFJOTTZZFTB-IRXDYDNUSA-N 2 0 347.507 2.246 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCOC3)C1 ZINC000921544756 789148801 /nfs/dbraw/zinc/14/88/01/789148801.db2.gz VNPLBAXJQINZRX-HZPDHXFCSA-N 2 0 334.508 2.341 10 0 EEAERP Fc1ccc(C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CCOCC2)cc1 ZINC000923370729 789448247 /nfs/dbraw/zinc/44/82/47/789448247.db2.gz JNZIHAGHTVSLQQ-GOSISDBHSA-N 2 0 334.435 2.185 10 0 EEAERP O=S1(=O)Cc2ccccc2[C@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923397385 789493550 /nfs/dbraw/zinc/49/35/50/789493550.db2.gz CTFRPOCOMUEGJR-NPVYPNSJSA-N 2 0 334.485 2.166 10 0 EEAERP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923453303 789587294 /nfs/dbraw/zinc/58/72/94/789587294.db2.gz AENMHADAKOUJEU-DOTOQJQBSA-N 2 0 331.460 2.152 10 0 EEAERP c1ccc(Oc2ccc(OCCN3CC[NH2+]CC[NH2+]CC3)cc2)cc1 ZINC000923460139 789593340 /nfs/dbraw/zinc/59/33/40/789593340.db2.gz ALTYXTYOWKGKGD-UHFFFAOYSA-N 2 0 341.455 2.353 10 0 EEAERP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923479480 789640490 /nfs/dbraw/zinc/64/04/90/789640490.db2.gz PRCFGHTUEKXRMS-NWDGAFQWSA-N 2 0 333.259 2.404 10 0 EEAERP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498908 789680714 /nfs/dbraw/zinc/68/07/14/789680714.db2.gz QRTPKEFJAFIFST-SJLPKXTDSA-N 2 0 347.503 2.398 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC000923505053 789689833 /nfs/dbraw/zinc/68/98/33/789689833.db2.gz XDGQVPZLCFISON-VXGBXAGGSA-N 2 0 327.375 2.143 10 0 EEAERP Cc1cnc(Cl)c(CNCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000921603357 789825858 /nfs/dbraw/zinc/82/58/58/789825858.db2.gz FPWWKLSCBXLGKD-UHFFFAOYSA-N 2 0 345.878 2.480 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC000921617959 789934235 /nfs/dbraw/zinc/93/42/35/789934235.db2.gz UUUYIFPMUZOYEK-BFWZDYSYSA-N 2 0 336.524 2.421 10 0 EEAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000713278953 794561918 /nfs/dbraw/zinc/56/19/18/794561918.db2.gz FAZPQYHXWDBSGL-NLWGTHIKSA-N 2 0 327.472 2.142 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000913948683 794642290 /nfs/dbraw/zinc/64/22/90/794642290.db2.gz PIFCYQQEULJGEE-YJBOKZPZSA-N 2 0 332.492 2.420 10 0 EEAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000914016897 794742090 /nfs/dbraw/zinc/74/20/90/794742090.db2.gz KECBHROEGKCZMO-QFBILLFUSA-N 2 0 344.503 2.085 10 0 EEAERP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2OCC(=O)OC)CC1 ZINC000921686124 794832300 /nfs/dbraw/zinc/83/23/00/794832300.db2.gz GCTBVSDQSZJDDO-UHFFFAOYSA-N 2 0 334.460 2.450 10 0 EEAERP CN1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1=O ZINC000716673605 796405669 /nfs/dbraw/zinc/40/56/69/796405669.db2.gz PBQJBXNEUNAPTK-VJANTYMQSA-N 2 0 327.472 2.250 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)[NH+]2CCCC2)o1 ZINC000915978035 797465036 /nfs/dbraw/zinc/46/50/36/797465036.db2.gz QDKGGWKYOHMDOL-JYJNAYRXSA-N 2 0 334.464 2.117 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000917598107 798291432 /nfs/dbraw/zinc/29/14/32/798291432.db2.gz YSZHWPBCDHXXGZ-ZWKOTPCHSA-N 2 0 348.560 2.108 10 0 EEAERP FC(F)(F)[C@@H]1CC[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)O1 ZINC000929285183 800043865 /nfs/dbraw/zinc/04/38/65/800043865.db2.gz YJWBPWCUPSGGFS-CABCVRRESA-N 2 0 336.398 2.141 10 0 EEAERP Cc1ccc(NCCNC(=O)NC2CC([NH+]3CCCCC3)C2)nc1 ZINC000922291816 800313892 /nfs/dbraw/zinc/31/38/92/800313892.db2.gz KGMVLWVUXNOAQQ-UHFFFAOYSA-N 2 0 331.464 2.118 10 0 EEAERP O[C@H]1C[C@](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)(c2ccccc2)C1 ZINC000922535474 801260858 /nfs/dbraw/zinc/26/08/58/801260858.db2.gz RULGAIYRSQETJB-MXVIHJGJSA-N 2 0 334.423 2.450 10 0 EEAERP Cc1ncc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001566479712 1125642543 /nfs/dbraw/zinc/64/25/43/1125642543.db2.gz BECMCQNHPXOQID-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CCc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001436414531 1087768556 /nfs/dbraw/zinc/76/85/56/1087768556.db2.gz GGKIWVDBHMTXHC-GOEBONIOSA-N 2 0 348.491 2.096 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001436479260 1087956339 /nfs/dbraw/zinc/95/63/39/1087956339.db2.gz RSZBPRWOWFWRDV-IDSJHHPBSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001437000053 1088746807 /nfs/dbraw/zinc/74/68/07/1088746807.db2.gz TUQMFWVDJXROTN-SJORKVTESA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001437133923 1089124286 /nfs/dbraw/zinc/12/42/86/1089124286.db2.gz VBXXKNMUVZKMPR-GPMSIDNRSA-N 2 0 347.503 2.408 10 0 EEAERP CC(C)Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001437260896 1089402558 /nfs/dbraw/zinc/40/25/58/1089402558.db2.gz MDRWOCBWUBOOPL-LPHOPBHVSA-N 2 0 331.504 2.431 10 0 EEAERP CCCc1ccc(C[N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001437540502 1089988932 /nfs/dbraw/zinc/98/89/32/1089988932.db2.gz CVZJEMQSIGPBPK-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP COc1cc(C[N@H+](C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1C ZINC001437567614 1090047720 /nfs/dbraw/zinc/04/77/20/1090047720.db2.gz XPVSPSJEEDDYGA-IRXDYDNUSA-N 2 0 347.503 2.424 10 0 EEAERP COC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001437852438 1090434630 /nfs/dbraw/zinc/43/46/30/1090434630.db2.gz NLTGMSCTSRIILW-HOTGVXAUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001437991598 1090587922 /nfs/dbraw/zinc/58/79/22/1090587922.db2.gz PUJAAJUCPMRCJA-IAGOWNOFSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)nc1 ZINC001438335840 1090810804 /nfs/dbraw/zinc/81/08/04/1090810804.db2.gz ACUBYGADLLZCLG-QAPCUYQASA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001438372466 1090852104 /nfs/dbraw/zinc/85/21/04/1090852104.db2.gz GODOVYURRATQGK-YJBOKZPZSA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001438374137 1090852663 /nfs/dbraw/zinc/85/26/63/1090852663.db2.gz IULPLHBOSZIUQL-ZWKOTPCHSA-N 2 0 347.503 2.330 10 0 EEAERP O=C(NC1(C[NH2+]Cc2cccc(F)c2)CCCC1)C12CC[NH+](CC1)C2 ZINC001438402175 1090889290 /nfs/dbraw/zinc/88/92/90/1090889290.db2.gz IXOGTXQWYICSLU-UHFFFAOYSA-N 2 0 345.462 2.440 10 0 EEAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cccnc1C)C1CC1)[NH+](C)C ZINC001438421695 1090915957 /nfs/dbraw/zinc/91/59/57/1090915957.db2.gz LHLWQMPBOWNPJU-MJGOQNOKSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001438458503 1090968277 /nfs/dbraw/zinc/96/82/77/1090968277.db2.gz XBRRBWCACZLIPQ-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nc2ccccc2o1 ZINC001438557575 1091050096 /nfs/dbraw/zinc/05/00/96/1091050096.db2.gz YUKDSWIDKVWLML-CQSZACIVSA-N 2 0 332.448 2.010 10 0 EEAERP CCc1nc(C)c(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)o1 ZINC001438606416 1091093667 /nfs/dbraw/zinc/09/36/67/1091093667.db2.gz KHFXTSWJHFDYIZ-UHFFFAOYSA-N 2 0 336.480 2.016 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccsc2)CCCC1)C12CC[NH+](CC1)C2 ZINC001438613920 1091103350 /nfs/dbraw/zinc/10/33/50/1091103350.db2.gz PSKWYXSRCZXMQK-UHFFFAOYSA-N 2 0 333.501 2.363 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001438666997 1091155315 /nfs/dbraw/zinc/15/53/15/1091155315.db2.gz WBPCHWHCQBDHRZ-APWZRJJASA-N 2 0 347.503 2.254 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445430245 1091186818 /nfs/dbraw/zinc/18/68/18/1091186818.db2.gz UVRLLZLOLOLRGD-PMPSAXMXSA-N 2 0 335.467 2.459 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ncc(C)s2)C1 ZINC001445432042 1091189337 /nfs/dbraw/zinc/18/93/37/1091189337.db2.gz ZGIVPGYBPPFSNN-HIFRSBDPSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@@H](c2ccccc2)N(C)C)co1 ZINC001438709826 1091224839 /nfs/dbraw/zinc/22/48/39/1091224839.db2.gz BXSSRRHPEBHXOL-RDTXWAMCSA-N 2 0 344.459 2.222 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001438730813 1091270145 /nfs/dbraw/zinc/27/01/45/1091270145.db2.gz OXQFGEHCNUYSTM-HZPDHXFCSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001438829686 1091447518 /nfs/dbraw/zinc/44/75/18/1091447518.db2.gz MTZKQDKEJJVBRA-FXAWDEMLSA-N 2 0 345.531 2.474 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001439222415 1091866638 /nfs/dbraw/zinc/86/66/38/1091866638.db2.gz FOCGLFWBQDQGQW-RDJZCZTQSA-N 2 0 333.476 2.164 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439368993 1092101049 /nfs/dbraw/zinc/10/10/49/1092101049.db2.gz SDKWADNHHLQRFI-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP Cc1ccccc1OCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439404621 1092163372 /nfs/dbraw/zinc/16/33/72/1092163372.db2.gz UOEKYRIRDZLNMJ-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001446132620 1092181897 /nfs/dbraw/zinc/18/18/97/1092181897.db2.gz ZRVWEAWMGVFLMA-VQTJNVASSA-N 2 0 343.515 2.460 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)c(C)s1 ZINC001446262676 1092401446 /nfs/dbraw/zinc/40/14/46/1092401446.db2.gz BIGQWKXPZMDPHU-UHFFFAOYSA-N 2 0 333.501 2.199 10 0 EEAERP C[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276853 1092427404 /nfs/dbraw/zinc/42/74/04/1092427404.db2.gz NBTTUUWNQDYJCO-KBPBESRZSA-N 2 0 348.491 2.223 10 0 EEAERP CCC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001446304301 1092474223 /nfs/dbraw/zinc/47/42/23/1092474223.db2.gz AHQQVJHJLMKSNY-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]cn2)CC1)c1ccc(F)c(F)c1 ZINC001439648412 1092572818 /nfs/dbraw/zinc/57/28/18/1092572818.db2.gz OFKGYEQODMDZMQ-LLVKDONJSA-N 2 0 334.370 2.230 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@]2(CC[NH+](CCCF)C2)C1 ZINC001439828124 1092819394 /nfs/dbraw/zinc/81/93/94/1092819394.db2.gz JHPVJIHJUUSYCC-GOSISDBHSA-N 2 0 327.488 2.391 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(C)C)CCC1(F)F ZINC001439978326 1093099542 /nfs/dbraw/zinc/09/95/42/1093099542.db2.gz NEPFLYYWZSJZHG-OAHLLOKOSA-N 2 0 333.467 2.448 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC2CC(C)C2)CCC1(F)F ZINC001439985096 1093103250 /nfs/dbraw/zinc/10/32/50/1093103250.db2.gz ZRPYXRGPGZRFGC-GPANFISMSA-N 2 0 345.478 2.448 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001440123955 1093184108 /nfs/dbraw/zinc/18/41/08/1093184108.db2.gz NQRLIDLXVNHIOA-IRXDYDNUSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]2C1 ZINC001448467760 1093478985 /nfs/dbraw/zinc/47/89/85/1093478985.db2.gz GDSPGINXHCBMIE-ZWXDFQSWSA-N 2 0 348.318 2.474 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001448471355 1093484710 /nfs/dbraw/zinc/48/47/10/1093484710.db2.gz BEVWBHOXCPMFOM-OAHLLOKOSA-N 2 0 325.472 2.001 10 0 EEAERP CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001448478288 1093497091 /nfs/dbraw/zinc/49/70/91/1093497091.db2.gz JRTNSPOLZOWXLN-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001448595358 1093655564 /nfs/dbraw/zinc/65/55/64/1093655564.db2.gz MACDQTRUAGOGQA-DLBZAZTESA-N 2 0 348.491 2.184 10 0 EEAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001440469870 1093695633 /nfs/dbraw/zinc/69/56/33/1093695633.db2.gz SDRBOQCSOODCGM-OALUTQOASA-N 2 0 346.519 2.482 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448649389 1093714356 /nfs/dbraw/zinc/71/43/56/1093714356.db2.gz IHRCGYAPAHOBRN-DZGCQCFKSA-N 2 0 338.521 2.261 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC001440483594 1093715727 /nfs/dbraw/zinc/71/57/27/1093715727.db2.gz OKBNZNPNQUMEKS-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001440486945 1093720814 /nfs/dbraw/zinc/72/08/14/1093720814.db2.gz ATYMWMJBNYETDZ-NEWSRXKRSA-N 2 0 331.504 2.394 10 0 EEAERP CCC1([NH2+]CCF)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001440529022 1093785556 /nfs/dbraw/zinc/78/55/56/1093785556.db2.gz HQEBYSVQWQCWLW-JKSUJKDBSA-N 2 0 325.472 2.334 10 0 EEAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001448724387 1093794996 /nfs/dbraw/zinc/79/49/96/1093794996.db2.gz VCMMKTBHWAYDEW-KBPBESRZSA-N 2 0 331.451 2.200 10 0 EEAERP CCC1([NH2+]C[C@H]2CC[C@@H](C)O2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440541601 1093811449 /nfs/dbraw/zinc/81/14/49/1093811449.db2.gz ZTRGZAMCDLAFCG-IAGOWNOFSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001440664190 1093931522 /nfs/dbraw/zinc/93/15/22/1093931522.db2.gz ICNJBVVWEOBJLI-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]C[C@H]2CCC(F)(F)C2)C1)C1CCC1 ZINC001440759697 1094001907 /nfs/dbraw/zinc/00/19/07/1094001907.db2.gz SMFHCPZOGFNFCD-NFOMZHRRSA-N 2 0 343.462 2.391 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2nc(C)c(C)s2)C1 ZINC001440761630 1094002979 /nfs/dbraw/zinc/00/29/79/1094002979.db2.gz TYULAODYRLYTGS-UHFFFAOYSA-N 2 0 338.521 2.086 10 0 EEAERP COCc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001440791534 1094033584 /nfs/dbraw/zinc/03/35/84/1094033584.db2.gz FUYXLIBBRGPNQW-CVEARBPZSA-N 2 0 347.503 2.300 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001440797605 1094038712 /nfs/dbraw/zinc/03/87/12/1094038712.db2.gz HWSFEEOSKZIHSE-KBPBESRZSA-N 2 0 348.491 2.150 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001440837855 1094091415 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2.403 10 0 EEAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001441463539 1095120788 /nfs/dbraw/zinc/12/07/88/1095120788.db2.gz DPWAVXFRNMSNLB-HKUYNNGSSA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001441578025 1095371894 /nfs/dbraw/zinc/37/18/94/1095371894.db2.gz XIGYVUHIFDGBDI-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1Cl ZINC001441658224 1095624789 /nfs/dbraw/zinc/62/47/89/1095624789.db2.gz NJNKSAFYRONVSX-ZBFHGGJFSA-N 2 0 337.895 2.271 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CCc2ccns2)CC1 ZINC001441755362 1095748502 /nfs/dbraw/zinc/74/85/02/1095748502.db2.gz JYFSAMNQEGCAJT-UHFFFAOYSA-N 2 0 338.521 2.044 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001441837351 1095906283 /nfs/dbraw/zinc/90/62/83/1095906283.db2.gz PBCZJKFRRZDISC-CRAIPNDOSA-N 2 0 332.492 2.118 10 0 EEAERP CC(C)C[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1 ZINC001441915629 1096094458 /nfs/dbraw/zinc/09/44/58/1096094458.db2.gz OCSRZFJDMRMNEL-LJQANCHMSA-N 2 0 343.515 2.445 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)ns2)C1 ZINC001441944244 1096143495 /nfs/dbraw/zinc/14/34/95/1096143495.db2.gz UMQVRHJBDSGORF-HUUCEWRRSA-N 2 0 338.521 2.168 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001441951624 1096152344 /nfs/dbraw/zinc/15/23/44/1096152344.db2.gz UOTCOTUTQVBTQH-VYDXJSESSA-N 2 0 333.476 2.020 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC001442044313 1096254500 /nfs/dbraw/zinc/25/45/00/1096254500.db2.gz GLPWDZIPVGXNPY-QWHCGFSZSA-N 2 0 325.403 2.216 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC001442251709 1096552886 /nfs/dbraw/zinc/55/28/86/1096552886.db2.gz NDEBWICFMWIPOM-BBRMVZONSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001442307034 1096623132 /nfs/dbraw/zinc/62/31/32/1096623132.db2.gz QTEKOOMVWOJOOI-RHSMWYFYSA-N 2 0 336.480 2.230 10 0 EEAERP CCc1ccc(CC[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001442400765 1096722116 /nfs/dbraw/zinc/72/21/16/1096722116.db2.gz GZSUHQIBFLAZIA-FQEVSTJZSA-N 2 0 343.515 2.181 10 0 EEAERP CC[C@@H](F)CN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001442587080 1096954792 /nfs/dbraw/zinc/95/47/92/1096954792.db2.gz GMBZFUPKSWIGPO-KURKYZTESA-N 2 0 335.467 2.128 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC[C@H](C)F ZINC001442721738 1097094673 /nfs/dbraw/zinc/09/46/73/1097094673.db2.gz SIGMACKJXFQXHX-WMLDXEAASA-N 2 0 333.467 2.385 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001442909371 1097316193 /nfs/dbraw/zinc/31/61/93/1097316193.db2.gz UOJAKCTUJZPZFU-CVEARBPZSA-N 2 0 333.451 2.106 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CCc2cccs2)C2CC2)C1 ZINC001443041457 1097450509 /nfs/dbraw/zinc/45/05/09/1097450509.db2.gz BWTMZHMYXLIQKG-OAHLLOKOSA-N 2 0 335.517 2.213 10 0 EEAERP COc1cccc(C[NH+]2CC(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC001443655756 1098154161 /nfs/dbraw/zinc/15/41/61/1098154161.db2.gz XJMBCFJLXGUJLR-HZPDHXFCSA-N 2 0 345.487 2.116 10 0 EEAERP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001443853577 1098374249 /nfs/dbraw/zinc/37/42/49/1098374249.db2.gz JGGANJYAPJYOJF-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001444039251 1098560350 /nfs/dbraw/zinc/56/03/50/1098560350.db2.gz OIMDNPYVWNLAMM-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]Cc1ccon1 ZINC001479529832 1098596561 /nfs/dbraw/zinc/59/65/61/1098596561.db2.gz WNUFEFBDSBNOEM-DOTOQJQBSA-N 2 0 336.480 2.123 10 0 EEAERP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479691278 1098753802 /nfs/dbraw/zinc/75/38/02/1098753802.db2.gz XUZKMUXMNTZWEI-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001479727192 1098823658 /nfs/dbraw/zinc/82/36/58/1098823658.db2.gz FKJIBZPHOGNZST-SCTDSRPQSA-N 2 0 349.519 2.034 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCc1ccc(F)c(F)c1 ZINC001479762173 1098923384 /nfs/dbraw/zinc/92/33/84/1098923384.db2.gz JQTHFNCWHHPPCY-QGZVFWFLSA-N 2 0 339.430 2.040 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC001479761986 1098924716 /nfs/dbraw/zinc/92/47/16/1098924716.db2.gz FHQVKOZCBJCHSU-QZTJIDSGSA-N 2 0 333.451 2.345 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CC(F)(F)C1 ZINC001479782265 1098971997 /nfs/dbraw/zinc/97/19/97/1098971997.db2.gz PYMBDLXIBMDVBG-UHFFFAOYSA-N 2 0 329.435 2.098 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)c1cnc(C)cn1 ZINC001479847521 1099141769 /nfs/dbraw/zinc/14/17/69/1099141769.db2.gz OEDIWMGZXHZRFV-FUHWJXTLSA-N 2 0 347.507 2.159 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CC[C@@H](C)O1 ZINC001479850490 1099147936 /nfs/dbraw/zinc/14/79/36/1099147936.db2.gz BYZCURIMQTXFEH-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cnoc1C ZINC001479861538 1099174382 /nfs/dbraw/zinc/17/43/82/1099174382.db2.gz VPHSHTDOMVBCNR-GJZGRUSLSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001444627485 1099453520 /nfs/dbraw/zinc/45/35/20/1099453520.db2.gz PMCQGVVKGXLAJB-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccc(C[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C2CC2)c(C)n1 ZINC001480024949 1099508689 /nfs/dbraw/zinc/50/86/89/1099508689.db2.gz ZAHZRZOOWTXTJC-GOSISDBHSA-N 2 0 344.503 2.167 10 0 EEAERP C[C@@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1cccc(F)c1 ZINC001480060769 1099587599 /nfs/dbraw/zinc/58/75/99/1099587599.db2.gz VTKWAERLYWPILD-RDTXWAMCSA-N 2 0 345.462 2.467 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001480065087 1099596594 /nfs/dbraw/zinc/59/65/94/1099596594.db2.gz FRYCMHGTOMLIGF-SFHVURJKSA-N 2 0 335.467 2.459 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001444761722 1099650051 /nfs/dbraw/zinc/65/00/51/1099650051.db2.gz HIXATQKAYLLEKD-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480122664 1099686194 /nfs/dbraw/zinc/68/61/94/1099686194.db2.gz QJSSYAHUHBXELZ-KRWDZBQOSA-N 2 0 333.476 2.034 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH]cn3)C2)c1C ZINC001480207736 1099813694 /nfs/dbraw/zinc/81/36/94/1099813694.db2.gz OFUKJEGGXPXSMA-CALCHBBNSA-N 2 0 342.443 2.096 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001480232838 1099859222 /nfs/dbraw/zinc/85/92/22/1099859222.db2.gz RDYRSYWXZJFBHA-FFZOFVMBSA-N 2 0 343.515 2.370 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001480237625 1099867257 /nfs/dbraw/zinc/86/72/57/1099867257.db2.gz GXMVJVXYQHFSJH-BETUJISGSA-N 2 0 325.403 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC[C@@H]1CCCCO1 ZINC001480331831 1100089628 /nfs/dbraw/zinc/08/96/28/1100089628.db2.gz NONNHENSANUJJF-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCCCOCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001480359667 1100132357 /nfs/dbraw/zinc/13/23/57/1100132357.db2.gz OSIJEXMXKKCRGD-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cnc(C)s2)CC1 ZINC001480409716 1100226481 /nfs/dbraw/zinc/22/64/81/1100226481.db2.gz OHWXGQXXSPKCPO-UHFFFAOYSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ccccc1CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001445080103 1100292392 /nfs/dbraw/zinc/29/23/92/1100292392.db2.gz CJIGNVDJEIFTQN-UHFFFAOYSA-N 2 0 331.504 2.414 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]C/C(Cl)=C\Cl)C12CC[NH+](CC1)C2 ZINC001445100243 1100331272 /nfs/dbraw/zinc/33/12/72/1100331272.db2.gz AOFPCDVYPQYTOX-FWRQMEPDSA-N 2 0 346.302 2.276 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCc1ccccc1 ZINC001480549934 1100387700 /nfs/dbraw/zinc/38/77/00/1100387700.db2.gz WGPGECWEEZOTKU-QGZVFWFLSA-N 2 0 331.504 2.445 10 0 EEAERP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495137494 1100808975 /nfs/dbraw/zinc/80/89/75/1100808975.db2.gz LLPHDUMIRYJPPT-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP O=C(NC1(C[NH2+]Cc2ccns2)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001495161043 1100833690 /nfs/dbraw/zinc/83/36/90/1100833690.db2.gz TUUGLFMTFVFUNW-INIZCTEOSA-N 2 0 348.516 2.004 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001496391071 1100983449 /nfs/dbraw/zinc/98/34/49/1100983449.db2.gz OVPOOTUUCWUHPA-ZBFHGGJFSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@](C[NH2+]Cc1ccccc1F)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001495295246 1100995680 /nfs/dbraw/zinc/99/56/80/1100995680.db2.gz YZLPVPSVCSXRLL-LJQANCHMSA-N 2 0 345.462 2.296 10 0 EEAERP Cc1ncc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)o1 ZINC001495322898 1101029418 /nfs/dbraw/zinc/02/94/18/1101029418.db2.gz ZZTYRTHGHSVYBC-RDTXWAMCSA-N 2 0 336.480 2.089 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001495394196 1101114747 /nfs/dbraw/zinc/11/47/47/1101114747.db2.gz WPFZQCSPLSVILV-INIZCTEOSA-N 2 0 348.466 2.035 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)cs1 ZINC001496560045 1101161352 /nfs/dbraw/zinc/16/13/52/1101161352.db2.gz AUMLTHUJZVSAIZ-DAXOMENPSA-N 2 0 338.521 2.022 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001495458487 1101170931 /nfs/dbraw/zinc/17/09/31/1101170931.db2.gz PXANRKDRUSUJEI-BZSNNMDCSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001496586844 1101188696 /nfs/dbraw/zinc/18/86/96/1101188696.db2.gz UBQPIJNEYJVPGX-GOSISDBHSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001496603663 1101203784 /nfs/dbraw/zinc/20/37/84/1101203784.db2.gz UGGJIEYVXNJSMH-QAPCUYQASA-N 2 0 327.488 2.339 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001495813123 1101630087 /nfs/dbraw/zinc/63/00/87/1101630087.db2.gz LMRLDBNCURDNSW-DYVFJYSZSA-N 2 0 336.480 2.008 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001495817320 1101637827 /nfs/dbraw/zinc/63/78/27/1101637827.db2.gz YHSTXEIJVSVKMC-ZBFHGGJFSA-N 2 0 338.521 2.105 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001495963382 1101840342 /nfs/dbraw/zinc/84/03/42/1101840342.db2.gz IARPEOOMERLWGL-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCCC1 ZINC001495963762 1101845164 /nfs/dbraw/zinc/84/51/64/1101845164.db2.gz QGWCWECQNQFQKH-IAGOWNOFSA-N 2 0 339.524 2.040 10 0 EEAERP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001496028722 1101952432 /nfs/dbraw/zinc/95/24/32/1101952432.db2.gz SXKMWNRNCBDKEL-CRAIPNDOSA-N 2 0 335.467 2.289 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001447100555 1101992439 /nfs/dbraw/zinc/99/24/39/1101992439.db2.gz GRCZHGDHEGLRBR-DWRORGKVSA-N 2 0 339.499 2.485 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001496062581 1101997719 /nfs/dbraw/zinc/99/77/19/1101997719.db2.gz BVMVJBCGXOQDQB-RPVQJOFSSA-N 2 0 348.491 2.219 10 0 EEAERP Cc1cncc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)CCC[NH+](C)C)c1 ZINC001447163114 1102115976 /nfs/dbraw/zinc/11/59/76/1102115976.db2.gz OCCKPKJOKPBDDD-MOPGFXCFSA-N 2 0 344.503 2.297 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497215434 1102139615 /nfs/dbraw/zinc/13/96/15/1102139615.db2.gz NGJKTKJYEGDBLQ-DNVCBOLYSA-N 2 0 345.487 2.186 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC001497254163 1102198817 /nfs/dbraw/zinc/19/88/17/1102198817.db2.gz IRTNKJWQAQKBAX-QEJZJMRPSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497272444 1102231520 /nfs/dbraw/zinc/23/15/20/1102231520.db2.gz QZUYABZDWMKUCB-HOCLYGCPSA-N 2 0 335.467 2.460 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)c1 ZINC001447256815 1102313740 /nfs/dbraw/zinc/31/37/40/1102313740.db2.gz DTSLXBSEIQPJKB-KRWDZBQOSA-N 2 0 345.487 2.166 10 0 EEAERP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001447292410 1102377434 /nfs/dbraw/zinc/37/74/34/1102377434.db2.gz XLAHQYOPRFWOOT-WMLDXEAASA-N 2 0 344.459 2.119 10 0 EEAERP Cc1ncoc1C[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001447371023 1102543726 /nfs/dbraw/zinc/54/37/26/1102543726.db2.gz BKUMGKFZOSLZQX-GASCZTMLSA-N 2 0 336.480 2.136 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001497501107 1102590070 /nfs/dbraw/zinc/59/00/70/1102590070.db2.gz OALREQUFFBZRGJ-GJZGRUSLSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCCc2cccc(F)c2)CC[N@@H+]1C ZINC001497585426 1102703549 /nfs/dbraw/zinc/70/35/49/1102703549.db2.gz JLQXFFRLOPVPDZ-HLPXUMPJSA-N 2 0 347.478 2.361 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001447536299 1102805602 /nfs/dbraw/zinc/80/56/02/1102805602.db2.gz FNPCVEIBDVAKDX-DNVCBOLYSA-N 2 0 340.471 2.123 10 0 EEAERP Cc1ccc(C[N@@H+](CCCNC(=O)[C@H]2CC[NH+](C)C2)C(C)C)c(C)n1 ZINC001493877001 1103013827 /nfs/dbraw/zinc/01/38/27/1103013827.db2.gz JAUWGELFRBTGHQ-IBGZPJMESA-N 2 0 346.519 2.367 10 0 EEAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ncc(Cl)s1 ZINC001447684531 1103112862 /nfs/dbraw/zinc/11/28/62/1103112862.db2.gz OCRRQGHCOSWNRM-RYUDHWBXSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001447780849 1103318148 /nfs/dbraw/zinc/31/81/48/1103318148.db2.gz LEAHGBACEXPLPD-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](C[NH2+]C[C@@H](O)c1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497926996 1103348881 /nfs/dbraw/zinc/34/88/81/1103348881.db2.gz QTKBQTXJONWLQX-ZIFCJYIRSA-N 2 0 347.503 2.079 10 0 EEAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001447873472 1103490921 /nfs/dbraw/zinc/49/09/21/1103490921.db2.gz CHVMVNHNUQEYPZ-UONOGXRCSA-N 2 0 343.462 2.391 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447901626 1103553615 /nfs/dbraw/zinc/55/36/15/1103553615.db2.gz MCEXOMWVEKDWNZ-HOTGVXAUSA-N 2 0 347.503 2.328 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001494319316 1103889001 /nfs/dbraw/zinc/88/90/01/1103889001.db2.gz FCXLSAPOFSGGEC-BZSNNMDCSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1)[NH+](C)C ZINC001494324745 1103896440 /nfs/dbraw/zinc/89/64/40/1103896440.db2.gz FCXLSAPOFSGGEC-RCCFBDPRSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NCC1C[NH+](CC[C@@H](C)F)C1)c1ccccc1 ZINC001494616267 1104201325 /nfs/dbraw/zinc/20/13/25/1104201325.db2.gz HJVRRYKCVHIDFQ-QAPCUYQASA-N 2 0 335.467 2.476 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCOCC1)[NH+](C)C ZINC001448282031 1104314447 /nfs/dbraw/zinc/31/44/47/1104314447.db2.gz MXAQQWPLLRKPKZ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(C[NH+]2CC([C@H](C)NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001448315117 1104372279 /nfs/dbraw/zinc/37/22/79/1104372279.db2.gz FCBNMEYONUQJMP-IRXDYDNUSA-N 2 0 329.488 2.273 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480658973 1106830561 /nfs/dbraw/zinc/83/05/61/1106830561.db2.gz LFRLFILEKWPSDF-GOSISDBHSA-N 2 0 347.503 2.072 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001480659191 1106833514 /nfs/dbraw/zinc/83/35/14/1106833514.db2.gz OZZGYKJHFUPDOV-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1)[NH+](C)C ZINC001480664572 1106845220 /nfs/dbraw/zinc/84/52/20/1106845220.db2.gz BHKKPMKXWQYDSK-GWDHXLPESA-N 2 0 329.488 2.478 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2nocc2C)C1 ZINC001480710337 1106934159 /nfs/dbraw/zinc/93/41/59/1106934159.db2.gz VQDWAIDQUWSLOQ-JKSUJKDBSA-N 2 0 336.480 2.232 10 0 EEAERP CCc1ccc(C[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001480804042 1107146335 /nfs/dbraw/zinc/14/63/35/1107146335.db2.gz YUMILFPDMXUFAT-MRXNPFEDSA-N 2 0 329.488 2.329 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001454767848 1107619008 /nfs/dbraw/zinc/61/90/08/1107619008.db2.gz JYELTQDRJRUULM-NJAFHUGGSA-N 2 0 348.539 2.236 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001498490530 1107626760 /nfs/dbraw/zinc/62/67/60/1107626760.db2.gz YTNOFUCYEDRDSZ-RDJZCZTQSA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001498551393 1107708383 /nfs/dbraw/zinc/70/83/83/1107708383.db2.gz IMGIQHYCCXTDAE-QGZVFWFLSA-N 2 0 336.455 2.032 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1Cl)C(=O)CC[NH+](C)C ZINC001498607057 1107799620 /nfs/dbraw/zinc/79/96/20/1107799620.db2.gz SKHZIQVRTXFJBS-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493262898 1107804992 /nfs/dbraw/zinc/80/49/92/1107804992.db2.gz IXGWOQYKYCSNJZ-INIZCTEOSA-N 2 0 333.451 2.168 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC001498817102 1108159311 /nfs/dbraw/zinc/15/93/11/1108159311.db2.gz KBFPJJZXFYUYFK-INIZCTEOSA-N 2 0 341.858 2.415 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493498860 1108238105 /nfs/dbraw/zinc/23/81/05/1108238105.db2.gz DUQYRGKWWSRODM-IEBWSBKVSA-N 2 0 329.488 2.249 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479454160 1110697224 /nfs/dbraw/zinc/69/72/24/1110697224.db2.gz LEPYXHHBCYHDFR-FUHWJXTLSA-N 2 0 344.503 2.249 10 0 EEAERP CCc1nccn1[C@H](C)CC(=O)NCC1(NCc2nocc2C)CC1 ZINC001499230687 1112190637 /nfs/dbraw/zinc/19/06/37/1112190637.db2.gz DELNLGCGSLGRGE-CQSZACIVSA-N 2 0 345.447 2.132 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC[C@H]3CCCC3(F)F)CC2)C1 ZINC001499420460 1112278203 /nfs/dbraw/zinc/27/82/03/1112278203.db2.gz FIPJYVOQSQRBBY-LSDHHAIUSA-N 2 0 343.462 2.392 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001499511789 1112331035 /nfs/dbraw/zinc/33/10/35/1112331035.db2.gz VTHIRJNGNYTLJW-OAGGEKHMSA-N 2 0 325.472 2.142 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001499539074 1112353645 /nfs/dbraw/zinc/35/36/45/1112353645.db2.gz ZJTAGCLELYBRBJ-UHFFFAOYSA-N 2 0 347.503 2.078 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001499995093 1112570931 /nfs/dbraw/zinc/57/09/31/1112570931.db2.gz ZSTXKTDGTXDCKU-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001499997867 1112571368 /nfs/dbraw/zinc/57/13/68/1112571368.db2.gz VPXAIHVOKIMSMG-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1 ZINC001500097643 1112615665 /nfs/dbraw/zinc/61/56/65/1112615665.db2.gz YTUDBGIRBKPJHZ-SNWBSQOPSA-N 2 0 327.900 2.488 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC001501152829 1113217293 /nfs/dbraw/zinc/21/72/93/1113217293.db2.gz FHNZIADONCIYHF-ZWKOTPCHSA-N 2 0 347.503 2.090 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC001501230174 1113253621 /nfs/dbraw/zinc/25/36/21/1113253621.db2.gz VRACSPNEQIGXJA-CALCHBBNSA-N 2 0 341.455 2.275 10 0 EEAERP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001501682022 1113432823 /nfs/dbraw/zinc/43/28/23/1113432823.db2.gz WEXKHISEWBAEGK-DLBZAZTESA-N 2 0 347.503 2.330 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC001502805792 1113806404 /nfs/dbraw/zinc/80/64/04/1113806404.db2.gz VFINWWCGCDVANR-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP COCCCC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001502810954 1113808224 /nfs/dbraw/zinc/80/82/24/1113808224.db2.gz JSYVKYFXUFNIFC-UHFFFAOYSA-N 2 0 339.524 2.260 10 0 EEAERP O=C(N1CCCC[C@H]1C[NH2+]CC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001505410596 1113944907 /nfs/dbraw/zinc/94/49/07/1113944907.db2.gz FFWRHXXHDMNSSV-ZDUSSCGKSA-N 2 0 346.302 2.372 10 0 EEAERP C[C@@H]([NH2+]CCOC1CCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505606614 1114081713 /nfs/dbraw/zinc/08/17/13/1114081713.db2.gz UUCXEVUPBLCLLA-CVEARBPZSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccccn2)CC1 ZINC001505725782 1114153440 /nfs/dbraw/zinc/15/34/40/1114153440.db2.gz XMHDXBOMCWBSLS-JKSUJKDBSA-N 2 0 332.492 2.185 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC001505788529 1114193222 /nfs/dbraw/zinc/19/32/22/1114193222.db2.gz ZRLIQPPZKRTMKP-UHFFFAOYSA-N 2 0 336.480 2.184 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](Cc3ccsc3)CC2(C)C)CC1 ZINC001506748820 1114862056 /nfs/dbraw/zinc/86/20/56/1114862056.db2.gz MCFSNKMCFFGOAK-HNNXBMFYSA-N 2 0 335.517 2.417 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001506887240 1114951703 /nfs/dbraw/zinc/95/17/03/1114951703.db2.gz HHEAJOBYNXQJJH-BCBBGWTOSA-N 2 0 325.884 2.240 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001506896110 1114957094 /nfs/dbraw/zinc/95/70/94/1114957094.db2.gz IVSDUSLIIRANHL-UMVBOHGHSA-N 2 0 339.430 2.462 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001506902406 1114960897 /nfs/dbraw/zinc/96/08/97/1114960897.db2.gz WSBLNJKOXVTRCL-JYJNAYRXSA-N 2 0 335.517 2.117 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)CCC[NH2+]C[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001506929801 1114981254 /nfs/dbraw/zinc/98/12/54/1114981254.db2.gz PPGCMNAZVOLVTJ-GOEBONIOSA-N 2 0 344.459 2.167 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1)[NH+](C)C ZINC001507032831 1115069405 /nfs/dbraw/zinc/06/94/05/1115069405.db2.gz BADXVAYIHQKMEW-CHWSQXEVSA-N 2 0 336.307 2.472 10 0 EEAERP Cc1nc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@@H+](C)C(C)C)cs1 ZINC001507037055 1115073763 /nfs/dbraw/zinc/07/37/63/1115073763.db2.gz QEMBHROVKANUKI-MRXNPFEDSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507289131 1115175420 /nfs/dbraw/zinc/17/54/20/1115175420.db2.gz HRGIZFHZDQVJOO-IEBWSBKVSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507289135 1115175590 /nfs/dbraw/zinc/17/55/90/1115175590.db2.gz HRGIZFHZDQVJOO-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001507401861 1115252113 /nfs/dbraw/zinc/25/21/13/1115252113.db2.gz PZLPKLFEPCOVEJ-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568056635 1124261395 /nfs/dbraw/zinc/26/13/95/1124261395.db2.gz HVNNELLKACKOLM-SOLBZPMBSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]CC[C@H]2CCCO2)CC1)[NH+](C)C ZINC001568093983 1124298250 /nfs/dbraw/zinc/29/82/50/1124298250.db2.gz MOINWVBOAGQJMH-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001568098474 1124301763 /nfs/dbraw/zinc/30/17/63/1124301763.db2.gz VTEUBMAONLUGQA-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)c1 ZINC001568318454 1124418391 /nfs/dbraw/zinc/41/83/91/1124418391.db2.gz AUHRWYIBCNFTCR-SFHVURJKSA-N 2 0 331.504 2.460 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CCCCC2)C1 ZINC001568348558 1124430912 /nfs/dbraw/zinc/43/09/12/1124430912.db2.gz HNHXCMCMMDKZJM-ZIDUMWFYSA-N 2 0 327.900 2.345 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568386852 1124457204 /nfs/dbraw/zinc/45/72/04/1124457204.db2.gz LNADSTRYYWXLEF-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP C[C@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001568686680 1124697955 /nfs/dbraw/zinc/69/79/55/1124697955.db2.gz BFZHITPMYJTMBY-WBVHZDCISA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568691983 1124704330 /nfs/dbraw/zinc/70/43/30/1124704330.db2.gz ADBCOBAJWUTONZ-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001568826519 1124844592 /nfs/dbraw/zinc/84/45/92/1124844592.db2.gz CWZMTQWAUFAYLZ-MQQKUOPWSA-N 2 0 329.435 2.168 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001569338812 1125239417 /nfs/dbraw/zinc/23/94/17/1125239417.db2.gz REPBHOGYDXVASF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(F)cc1 ZINC000174159022 231135632 /nfs/dbraw/zinc/13/56/32/231135632.db2.gz DDSABZJFUYARMF-MSOLQXFVSA-N 2 0 346.450 2.084 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCCC[C@@H]1CCO)c1ccccc1 ZINC000342062983 539831009 /nfs/dbraw/zinc/83/10/09/539831009.db2.gz NNOXMNXQMRTHHY-RTBURBONSA-N 2 0 347.503 2.033 10 0 EEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000462728173 535303767 /nfs/dbraw/zinc/30/37/67/535303767.db2.gz HTMKQMCEJVUMPD-ZACQAIPSSA-N 2 0 326.529 2.479 10 0 EEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000360895291 283181812 /nfs/dbraw/zinc/18/18/12/283181812.db2.gz HTMKQMCEJVUMPD-YESZJQIVSA-N 2 0 326.529 2.479 10 0 EEAERP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1ccccn1)CC[NH+](C)CC2 ZINC000072477749 216255822 /nfs/dbraw/zinc/25/58/22/216255822.db2.gz QWZKODCYGDQQQU-GOSISDBHSA-N 2 0 344.503 2.236 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000559893891 370702770 /nfs/dbraw/zinc/70/27/70/370702770.db2.gz MQFPATIESMSISQ-KRWDZBQOSA-N 2 0 329.492 2.403 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422714728 240187829 /nfs/dbraw/zinc/18/78/29/240187829.db2.gz LKNRDTAHFPDDKC-HNAYVOBHSA-N 2 0 345.487 2.420 10 0 EEAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000423035926 240337914 /nfs/dbraw/zinc/33/79/14/240337914.db2.gz SKGNGRBMJLCLSY-QAPCUYQASA-N 2 0 340.471 2.302 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000080338586 217298676 /nfs/dbraw/zinc/29/86/76/217298676.db2.gz GUFYDJXJVDDAJX-INIZCTEOSA-N 2 0 333.476 2.231 10 0 EEAERP CCC(CC)(CC)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000081156284 217365681 /nfs/dbraw/zinc/36/56/81/217365681.db2.gz QVFMZEWGKONXJU-INIZCTEOSA-N 2 0 327.513 2.018 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424631756 285246789 /nfs/dbraw/zinc/24/67/89/285246789.db2.gz AXSKVYMDXZWALY-BRWVUGGUSA-N 2 0 327.488 2.389 10 0 EEAERP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261811334 256016125 /nfs/dbraw/zinc/01/61/25/256016125.db2.gz HQYWCTQWRSTWIM-MRXNPFEDSA-N 2 0 333.451 2.032 10 0 EEAERP COCCN1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000273092832 256264944 /nfs/dbraw/zinc/26/49/44/256264944.db2.gz NAKCUVPGLDMOIX-MRXNPFEDSA-N 2 0 346.500 2.448 10 0 EEAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000273156795 256270907 /nfs/dbraw/zinc/27/09/07/256270907.db2.gz AWJSJVIJLHEWTA-UHFFFAOYSA-N 2 0 335.467 2.448 10 0 EEAERP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000291511458 258012174 /nfs/dbraw/zinc/01/21/74/258012174.db2.gz XJLBSWJHJTWCSP-ROUUACIJSA-N 2 0 341.459 2.294 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119023252 292240283 /nfs/dbraw/zinc/24/02/83/292240283.db2.gz UWRKLIZTXIQKPE-ZGUYJTEBSA-N 2 0 336.524 2.375 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000125404808 292296742 /nfs/dbraw/zinc/29/67/42/292296742.db2.gz NOSLCWVWNVWRCT-ADKAHSJRSA-N 2 0 338.540 2.480 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)C(=O)NC)CC1 ZINC000120124720 159387593 /nfs/dbraw/zinc/38/75/93/159387593.db2.gz HVYRIAOAOCWQCQ-UHFFFAOYSA-N 2 0 346.519 2.080 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000122792115 159439266 /nfs/dbraw/zinc/43/92/66/159439266.db2.gz KEORXNMDBMSYKP-HNNXBMFYSA-N 2 0 328.464 2.435 10 0 EEAERP COCC[N@H+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245763175 160251834 /nfs/dbraw/zinc/25/18/34/160251834.db2.gz VXCYKNVFNOFEBW-OWZKRDHZSA-N 2 0 331.504 2.350 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246779304 160293514 /nfs/dbraw/zinc/29/35/14/160293514.db2.gz CIYCWZNLLYUTMM-BHIYHBOVSA-N 2 0 329.488 2.496 10 0 EEAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247042049 160307107 /nfs/dbraw/zinc/30/71/07/160307107.db2.gz YVWUUSQZUGDSBB-PKOBYXMFSA-N 2 0 327.472 2.495 10 0 EEAERP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342420238 161063771 /nfs/dbraw/zinc/06/37/71/161063771.db2.gz BGKDXMCPIKYDIP-IBGZPJMESA-N 2 0 338.455 2.086 10 0 EEAERP C[N@H+](CC(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000354886991 163003716 /nfs/dbraw/zinc/00/37/16/163003716.db2.gz BGNBVIXNGKNYMR-MRXNPFEDSA-N 2 0 339.549 2.218 10 0 EEAERP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367914267 166019419 /nfs/dbraw/zinc/01/94/19/166019419.db2.gz BIIFZDSTHQLSIK-HOTGVXAUSA-N 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ZINC000162576411 295363995 /nfs/dbraw/zinc/36/39/95/295363995.db2.gz IUKSAFUYJZDSLV-LJQANCHMSA-N 2 0 333.520 2.489 10 0 EEAERP O=C1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333149605 312101546 /nfs/dbraw/zinc/10/15/46/312101546.db2.gz MGYHIQIIPKCBND-MNSOJDNVSA-N 2 0 347.425 2.344 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000333805355 312199665 /nfs/dbraw/zinc/19/96/65/312199665.db2.gz ORRUFEZYNXIAFQ-IAGOWNOFSA-N 2 0 336.524 2.330 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000333805351 312199874 /nfs/dbraw/zinc/19/98/74/312199874.db2.gz ORRUFEZYNXIAFQ-DLBZAZTESA-N 2 0 336.524 2.330 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416813072 313323398 /nfs/dbraw/zinc/32/33/98/313323398.db2.gz UCTUQIZERATROB-MJGOQNOKSA-N 2 0 330.476 2.074 10 0 EEAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416838884 313330594 /nfs/dbraw/zinc/33/05/94/313330594.db2.gz JJADVVLKUCSUBG-JKSUJKDBSA-N 2 0 348.516 2.421 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416881877 313346593 /nfs/dbraw/zinc/34/65/93/313346593.db2.gz ABSHJNVVBVNIAA-MAUKXSAKSA-N 2 0 330.476 2.161 10 0 EEAERP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416906400 313356503 /nfs/dbraw/zinc/35/65/03/313356503.db2.gz SDTPFQGJGPXBLJ-QGZVFWFLSA-N 2 0 344.503 2.471 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000416978940 313380751 /nfs/dbraw/zinc/38/07/51/313380751.db2.gz GOUMUXCXUZEJAR-QAPCUYQASA-N 2 0 332.492 2.326 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccsc1 ZINC000417011528 313393510 /nfs/dbraw/zinc/39/35/10/313393510.db2.gz SGEJGWBSCORNGT-FVQBIDKESA-N 2 0 338.521 2.428 10 0 EEAERP O=C(NCC[C@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417029362 313401379 /nfs/dbraw/zinc/40/13/79/313401379.db2.gz PAGACZZTMQPMRL-QZTJIDSGSA-N 2 0 330.476 2.265 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000418055748 313701498 /nfs/dbraw/zinc/70/14/98/313701498.db2.gz JFJVFPODGLUAFB-IBGZPJMESA-N 2 0 340.471 2.290 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418577010 313851021 /nfs/dbraw/zinc/85/10/21/313851021.db2.gz OQWHMLKZWSCSKY-DAXOMENPSA-N 2 0 338.883 2.240 10 0 EEAERP C[NH+](C)CCc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000521864160 316934368 /nfs/dbraw/zinc/93/43/68/316934368.db2.gz RQAFNZSUQVDOGV-UHFFFAOYSA-N 2 0 346.496 2.354 10 0 EEAERP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCC[NH2+]1 ZINC000567647186 319401353 /nfs/dbraw/zinc/40/13/53/319401353.db2.gz YDRSZCDRWSZXFC-RCBQFDQVSA-N 2 0 329.423 2.129 10 0 EEAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000576920657 320215443 /nfs/dbraw/zinc/21/54/43/320215443.db2.gz DCPVJPJVNAGPKD-INIZCTEOSA-N 2 0 336.455 2.123 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000578960955 323741830 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10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1(F)CCC1 ZINC000358565461 465196261 /nfs/dbraw/zinc/19/62/61/465196261.db2.gz ZGKLBLSZKNTZPZ-MRXNPFEDSA-N 2 0 342.503 2.326 10 0 EEAERP CC(C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000074102404 462555322 /nfs/dbraw/zinc/55/53/22/462555322.db2.gz DEDBXSBDLQBJMU-FBVQUNGASA-N 2 0 336.524 2.421 10 0 EEAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000090410620 462788786 /nfs/dbraw/zinc/78/87/86/462788786.db2.gz LSNOOXMZRGDALG-RDJZCZTQSA-N 2 0 348.491 2.081 10 0 EEAERP Cn1ccnc1CC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000105876161 463484502 /nfs/dbraw/zinc/48/45/02/463484502.db2.gz CADLWJHYMZGYPQ-QGZVFWFLSA-N 2 0 329.444 2.115 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000152374570 463681785 /nfs/dbraw/zinc/68/17/85/463681785.db2.gz AETYVHIQVVQSPB-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170829103 463715746 /nfs/dbraw/zinc/71/57/46/463715746.db2.gz ZIVZFCFKGLHRKJ-SFHVURJKSA-N 2 0 332.492 2.374 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000177518794 463726641 /nfs/dbraw/zinc/72/66/41/463726641.db2.gz RBUUFWYLOOLNMZ-HOTGVXAUSA-N 2 0 326.529 2.479 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193783977 463741376 /nfs/dbraw/zinc/74/13/76/463741376.db2.gz WQTZBUSVXVPJNU-GOSISDBHSA-N 2 0 336.524 2.236 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000194311124 463832994 /nfs/dbraw/zinc/83/29/94/463832994.db2.gz ZNTLKRUEBUPDCX-IBGZPJMESA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261946455 463906809 /nfs/dbraw/zinc/90/68/09/463906809.db2.gz FJTMSYDYSQVOOL-ICSRJNTNSA-N 2 0 331.504 2.209 10 0 EEAERP CCc1nccn1[C@@H]1CCCN(C(=O)NCCCn2ccnc2)C1 ZINC000172432172 464079394 /nfs/dbraw/zinc/07/93/94/464079394.db2.gz RXYDSXCXMBDCIY-OAHLLOKOSA-N 2 0 330.436 2.079 10 0 EEAERP C[NH+](C)CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000173240768 464217658 /nfs/dbraw/zinc/21/76/58/464217658.db2.gz LMDBCVMCJJOBSC-AYHJJNSGSA-N 2 0 336.524 2.375 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)[C@@H](C)C1 ZINC000246430741 464584009 /nfs/dbraw/zinc/58/40/09/464584009.db2.gz MPAZLUBTTBIYTR-BBWFWOEESA-N 2 0 326.529 2.334 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@@H](C)C1 ZINC000246430753 464584090 /nfs/dbraw/zinc/58/40/90/464584090.db2.gz MPAZLUBTTBIYTR-ULQDDVLXSA-N 2 0 326.529 2.334 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246779335 464621476 /nfs/dbraw/zinc/62/14/76/464621476.db2.gz CIYCWZNLLYUTMM-QRQLOZEOSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000247497087 464686294 /nfs/dbraw/zinc/68/62/94/464686294.db2.gz USEJPUFAWAHXEQ-IKGGRYGDSA-N 2 0 346.475 2.295 10 0 EEAERP CC[N@H+](CC(=O)N1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000276082194 464801882 /nfs/dbraw/zinc/80/18/82/464801882.db2.gz VKHFOPHTGNBODX-SFHVURJKSA-N 2 0 344.503 2.379 10 0 EEAERP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000286284688 464867320 /nfs/dbraw/zinc/86/73/20/464867320.db2.gz WQNASPOJYABXQM-QILLFSRXSA-N 2 0 333.476 2.144 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000192804668 465000714 /nfs/dbraw/zinc/00/07/14/465000714.db2.gz RHSGCFIXVNZZEI-MOPGFXCFSA-N 2 0 333.524 2.373 10 0 EEAERP CSC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC[NH+](C)CC1 ZINC000353184408 465699954 /nfs/dbraw/zinc/69/99/54/465699954.db2.gz INMYXJXRBNMGSS-UHFFFAOYSA-N 3 0 345.516 2.493 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338003319 465743138 /nfs/dbraw/zinc/74/31/38/465743138.db2.gz VOIJXULLUDBQIX-ZCNNSNEGSA-N 2 0 343.515 2.444 10 0 EEAERP CN(CCC[N@H+](C)Cc1cncc(C(F)(F)F)c1)CC[NH+](C)C ZINC000361395349 465957593 /nfs/dbraw/zinc/95/75/93/465957593.db2.gz NMZHLMBXBFRITI-UHFFFAOYSA-N 2 0 332.414 2.416 10 0 EEAERP CCc1cc(NCc2ccc(N3CC[NH+](CC)CC3)nc2)nc(C)n1 ZINC000302028162 466081668 /nfs/dbraw/zinc/08/16/68/466081668.db2.gz AUEQRIGVKXXBKX-UHFFFAOYSA-N 2 0 340.475 2.496 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)o1 ZINC000349469982 466119883 /nfs/dbraw/zinc/11/98/83/466119883.db2.gz SJCKYESNBQVRFO-KRWDZBQOSA-N 2 0 335.492 2.395 10 0 EEAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001929 466379784 /nfs/dbraw/zinc/37/97/84/466379784.db2.gz FWDNUQOIPGALGJ-AZUAARDMSA-N 2 0 330.520 2.129 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000354360244 466504765 /nfs/dbraw/zinc/50/47/65/466504765.db2.gz BJRSKXJRQXWXAP-PMACEKPBSA-N 2 0 341.499 2.378 10 0 EEAERP CN(C(=O)NCC1CCCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363816810 466628018 /nfs/dbraw/zinc/62/80/18/466628018.db2.gz JIGGZMZDRYCPFB-SFHVURJKSA-N 2 0 336.524 2.377 10 0 EEAERP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCC(c2c[nH]cn2)CC1 ZINC000373084474 466686892 /nfs/dbraw/zinc/68/68/92/466686892.db2.gz RPZOFGYPCRXUGN-INIZCTEOSA-N 2 0 331.464 2.316 10 0 EEAERP C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423250378 466703370 /nfs/dbraw/zinc/70/33/70/466703370.db2.gz UXFMYACHXLFUPT-KDOFPFPSSA-N 2 0 347.484 2.288 10 0 EEAERP COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000423430240 466747872 /nfs/dbraw/zinc/74/78/72/466747872.db2.gz PRBRHWVBELFYNP-YSIASYRMSA-N 2 0 331.504 2.255 10 0 EEAERP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423509014 466760995 /nfs/dbraw/zinc/76/09/95/466760995.db2.gz KZOORDCNGSMBGV-UHYCVJNDSA-N 2 0 329.488 2.489 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1O ZINC000423516427 466763588 /nfs/dbraw/zinc/76/35/88/466763588.db2.gz WWGQYQDNKKTZJC-OOHWJJMZSA-N 2 0 333.476 2.268 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417046057 466764252 /nfs/dbraw/zinc/76/42/52/466764252.db2.gz ZFDVCRLJHCBCLH-OTWHNJEPSA-N 2 0 342.487 2.359 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662485801 472125202 /nfs/dbraw/zinc/12/52/02/472125202.db2.gz JTLSMCUSSRBEPU-LPHOPBHVSA-N 2 0 327.472 2.411 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000417415991 466854530 /nfs/dbraw/zinc/85/45/30/466854530.db2.gz ZZGQQXOWHCYMHR-HDICACEKSA-N 2 0 330.476 2.174 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000417551679 466882160 /nfs/dbraw/zinc/88/21/60/466882160.db2.gz OOWPYVRFGQBXFJ-IBGZPJMESA-N 2 0 346.519 2.320 10 0 EEAERP C[C@@H](C[NH3+])N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417591628 466889815 /nfs/dbraw/zinc/88/98/15/466889815.db2.gz XHNBURJETKEVGB-MIGBEJBISA-N 2 0 330.476 2.171 10 0 EEAERP CC(C)Cc1nsc(N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000376923560 466967985 /nfs/dbraw/zinc/96/79/85/466967985.db2.gz SKHPWZWJQSKIDJ-OAHLLOKOSA-N 2 0 337.537 2.341 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000418023106 467026347 /nfs/dbraw/zinc/02/63/47/467026347.db2.gz LJSCYDBSUQCVSM-UHFFFAOYSA-N 2 0 330.476 2.199 10 0 EEAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418102111 467045115 /nfs/dbraw/zinc/04/51/15/467045115.db2.gz GYRYWXZVNCZVDX-MJGOQNOKSA-N 2 0 342.487 2.044 10 0 EEAERP C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H]1n1ccnc1 ZINC000418434041 467110080 /nfs/dbraw/zinc/11/00/80/467110080.db2.gz UUOQCQQDAOAESL-PVAVHDDUSA-N 2 0 327.432 2.176 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1F ZINC000425673042 467122471 /nfs/dbraw/zinc/12/24/71/467122471.db2.gz MIXBRMDCKSHEQW-MAUKXSAKSA-N 2 0 348.466 2.123 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418548053 467126709 /nfs/dbraw/zinc/12/67/09/467126709.db2.gz JPMRTPDFTOTQMC-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000414292974 467398802 /nfs/dbraw/zinc/39/88/02/467398802.db2.gz BGXQXJVRHJKITB-SFHVURJKSA-N 2 0 342.487 2.488 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000414746931 467433661 /nfs/dbraw/zinc/43/36/61/467433661.db2.gz ZVHSONLKNZXRKT-UHFFFAOYSA-N 2 0 345.491 2.044 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453126465 467461886 /nfs/dbraw/zinc/46/18/86/467461886.db2.gz PAYLYORYNJBFGN-HNNXBMFYSA-N 2 0 328.460 2.194 10 0 EEAERP Cn1cc(N2CCC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cn1 ZINC000436472286 467539253 /nfs/dbraw/zinc/53/92/53/467539253.db2.gz ZBVRRMGVAQMYFY-QGZVFWFLSA-N 2 0 340.475 2.043 10 0 EEAERP COC[C@](C)(O)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449387456 467635748 /nfs/dbraw/zinc/63/57/48/467635748.db2.gz XDSZMNFAYPBUJP-HXUWFJFHSA-N 2 0 349.519 2.094 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449672801 467684873 /nfs/dbraw/zinc/68/48/73/467684873.db2.gz NHORVZKDHVVIEL-SWLSCSKDSA-N 2 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C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000515810867 468004785 /nfs/dbraw/zinc/00/47/85/468004785.db2.gz CEUMYYQFKLWJDS-OWIUFQIYSA-N 2 0 333.451 2.023 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)CC(C)C ZINC000567896692 468232957 /nfs/dbraw/zinc/23/29/57/468232957.db2.gz JQFSJJBEFTWJMC-AQFXKWCLSA-N 2 0 327.513 2.146 10 0 EEAERP COC(=O)c1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000594605247 468632541 /nfs/dbraw/zinc/63/25/41/468632541.db2.gz IHFWNRNODGXWJQ-UHFFFAOYSA-N 2 0 344.415 2.134 10 0 EEAERP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@H](OC(F)F)C3)c2cc1C ZINC000570945326 468718198 /nfs/dbraw/zinc/71/81/98/468718198.db2.gz DIZBUOXINAQZNK-KBPBESRZSA-N 2 0 339.386 2.328 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000595022334 468744839 /nfs/dbraw/zinc/74/48/39/468744839.db2.gz LHXASSCSBZFPFJ-UAGQMJEPSA-N 2 0 340.508 2.322 10 0 EEAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000595022333 468745121 /nfs/dbraw/zinc/74/51/21/468745121.db2.gz LHXASSCSBZFPFJ-BHYGNILZSA-N 2 0 340.508 2.322 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000584478047 468882174 /nfs/dbraw/zinc/88/21/74/468882174.db2.gz FSOLPKJCLGQEOM-CVEARBPZSA-N 2 0 330.476 2.065 10 0 EEAERP CN(CCC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1cc[nH+]cc1 ZINC000561497591 468897664 /nfs/dbraw/zinc/89/76/64/468897664.db2.gz PBNWUDYDUHAWSG-IBGZPJMESA-N 2 0 340.471 2.197 10 0 EEAERP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000593324232 468939198 /nfs/dbraw/zinc/93/91/98/468939198.db2.gz ZGEOMHROEDQCKW-LXZKKBNFSA-N 2 0 336.432 2.317 10 0 EEAERP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000593324231 468939596 /nfs/dbraw/zinc/93/95/96/468939596.db2.gz ZGEOMHROEDQCKW-FRFSOERESA-N 2 0 336.432 2.317 10 0 EEAERP C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000562800616 469076353 /nfs/dbraw/zinc/07/63/53/469076353.db2.gz KMXSOFZIGJHBEP-FXAWDEMLSA-N 2 0 344.503 2.292 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(NC(=O)C[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000573230752 469088517 /nfs/dbraw/zinc/08/85/17/469088517.db2.gz ASLKUDOYTSMXQM-KRWDZBQOSA-N 2 0 344.503 2.104 10 0 EEAERP COC(=O)Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169971 469184398 /nfs/dbraw/zinc/18/43/98/469184398.db2.gz MKYDNXXCTYWUFK-WBVHZDCISA-N 2 0 329.444 2.250 10 0 EEAERP CCC[NH+](CCC)CCCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615262527 469195573 /nfs/dbraw/zinc/19/55/73/469195573.db2.gz GLGVGZBQUOXVDQ-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCc2noc3ccccc23)CC[NH2+]CC1 ZINC000596653030 469322854 /nfs/dbraw/zinc/32/28/54/469322854.db2.gz YRYGZDGIXYPPFH-AWEZNQCLSA-N 2 0 345.443 2.281 10 0 EEAERP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387678 469528099 /nfs/dbraw/zinc/52/80/99/469528099.db2.gz KYDQIQNFHJFXDY-ZDUSSCGKSA-N 2 0 339.867 2.463 10 0 EEAERP FC(F)CN1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000623090217 469546923 /nfs/dbraw/zinc/54/69/23/469546923.db2.gz DBHSHFAKZFLHOY-UHFFFAOYSA-N 2 0 335.402 2.334 10 0 EEAERP CC(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000626934480 469760793 /nfs/dbraw/zinc/76/07/93/469760793.db2.gz ZXEKMCPQZKCCMK-DLBZAZTESA-N 2 0 336.524 2.327 10 0 EEAERP CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000617924279 469839004 /nfs/dbraw/zinc/83/90/04/469839004.db2.gz RLLCCMFCURPHIH-DLBZAZTESA-N 2 0 339.549 2.147 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000618194902 469917616 /nfs/dbraw/zinc/91/76/16/469917616.db2.gz NBRNFCNNHRGXSC-QGZVFWFLSA-N 2 0 333.451 2.058 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000630703687 469960991 /nfs/dbraw/zinc/96/09/91/469960991.db2.gz CSRSOQWNXLZQOM-ZYSHUDEJSA-N 2 0 329.488 2.280 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000621155061 470001952 /nfs/dbraw/zinc/00/19/52/470001952.db2.gz YEQYRAGKHAYPSL-QGZVFWFLSA-N 2 0 330.476 2.063 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3(O)CCOCC3)C2)s1 ZINC000649603610 470639377 /nfs/dbraw/zinc/63/93/77/470639377.db2.gz WFAQLLOOZCRROE-MRXNPFEDSA-N 2 0 338.517 2.352 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCO3)C1 ZINC000650722221 470951038 /nfs/dbraw/zinc/95/10/38/470951038.db2.gz NHENBJOPLXJHBD-SOLBZPMBSA-N 2 0 332.444 2.319 10 0 EEAERP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899690 471010326 /nfs/dbraw/zinc/01/03/26/471010326.db2.gz SQKNQUFRFFAIAS-IJEWVQPXSA-N 2 0 345.443 2.206 10 0 EEAERP O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899376 471010362 /nfs/dbraw/zinc/01/03/62/471010362.db2.gz IWTSZVAAWCHLOW-RDJZCZTQSA-N 2 0 335.879 2.420 10 0 EEAERP c1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657402649 471126234 /nfs/dbraw/zinc/12/62/34/471126234.db2.gz WHRZBJHUWJRYGC-RHSMWYFYSA-N 2 0 330.457 2.412 10 0 EEAERP Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657485269 471150253 /nfs/dbraw/zinc/15/02/53/471150253.db2.gz YLJUDKMQYACGOD-RDTXWAMCSA-N 2 0 338.415 2.011 10 0 EEAERP Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000645195657 471171915 /nfs/dbraw/zinc/17/19/15/471171915.db2.gz UVGMYAQYTNNDFL-SUMWQHHRSA-N 2 0 327.476 2.391 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccn34)cc2)C1 ZINC000657596450 471180469 /nfs/dbraw/zinc/18/04/69/471180469.db2.gz WVPOPGRGKVMAOT-IBGZPJMESA-N 2 0 336.439 2.191 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000657706782 471213702 /nfs/dbraw/zinc/21/37/02/471213702.db2.gz QZSNMHGRYFAFPS-ROUUACIJSA-N 2 0 349.906 2.485 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000652137264 471242384 /nfs/dbraw/zinc/24/23/84/471242384.db2.gz DVRFLTZGGKYYQN-HZPDHXFCSA-N 2 0 332.492 2.326 10 0 EEAERP C[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000652239944 471260853 /nfs/dbraw/zinc/26/08/53/471260853.db2.gz JXPWWDUAPFZMAG-KRWDZBQOSA-N 2 0 344.503 2.421 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659039074 471480263 /nfs/dbraw/zinc/48/02/63/471480263.db2.gz YZKOJOBWYXZQOQ-MSOLQXFVSA-N 2 0 346.475 2.151 10 0 EEAERP Cc1ccccc1C[C@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000663737602 471497023 /nfs/dbraw/zinc/49/70/23/471497023.db2.gz XEMAPGISMCLELH-ROUUACIJSA-N 2 0 348.535 2.497 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000653119172 471497256 /nfs/dbraw/zinc/49/72/56/471497256.db2.gz AENCCPPIWFZQQC-NWANDNLSSA-N 2 0 343.393 2.021 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483591 471514657 /nfs/dbraw/zinc/51/46/57/471514657.db2.gz CAKPVKOUPIIWCR-RYQLBKOJSA-N 2 0 330.476 2.345 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+](C)C ZINC000655927865 471544856 /nfs/dbraw/zinc/54/48/56/471544856.db2.gz IWDUORXHBLMFLD-YUTCNCBUSA-N 2 0 346.397 2.175 10 0 EEAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])COC(C)C ZINC000659285962 471566838 /nfs/dbraw/zinc/56/68/38/471566838.db2.gz UMPHDUCPRDJFAN-OALUTQOASA-N 2 0 347.503 2.109 10 0 EEAERP Cc1ccccc1C1(CNC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000663930954 471580889 /nfs/dbraw/zinc/58/08/89/471580889.db2.gz GEXLUFBQHKTETK-UHFFFAOYSA-N 2 0 346.519 2.209 10 0 EEAERP C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659369809 471594790 /nfs/dbraw/zinc/59/47/90/471594790.db2.gz UMZWHKMOQMSYDY-LJQANCHMSA-N 2 0 339.439 2.362 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000659443337 471631593 /nfs/dbraw/zinc/63/15/93/471631593.db2.gz ZUHOONMDYKAHRF-BPQIPLTHSA-N 2 0 332.492 2.495 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000659445287 471632455 /nfs/dbraw/zinc/63/24/55/471632455.db2.gz QISVMXQBAQGVSI-KURKYZTESA-N 2 0 348.466 2.213 10 0 EEAERP CCN(C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664498795 471770878 /nfs/dbraw/zinc/77/08/78/471770878.db2.gz OHUKFDKDCGCEBB-QZTJIDSGSA-N 2 0 338.540 2.480 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664540001 471787436 /nfs/dbraw/zinc/78/74/36/471787436.db2.gz IASLATAAVAYEKW-KSZLIROESA-N 2 0 330.476 2.167 10 0 EEAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245249 472040387 /nfs/dbraw/zinc/04/03/87/472040387.db2.gz SDNYRNUAHYGEEV-QRQLOZEOSA-N 2 0 329.488 2.357 10 0 EEAERP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249374 472041623 /nfs/dbraw/zinc/04/16/23/472041623.db2.gz ULWRTAYNZBGQDX-JKSUJKDBSA-N 2 0 332.444 2.362 10 0 EEAERP CCC[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000662281150 472055433 /nfs/dbraw/zinc/05/54/33/472055433.db2.gz UDLIURKZRFZPHP-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCCc1ccccc1 ZINC000662295310 472059849 /nfs/dbraw/zinc/05/98/49/472059849.db2.gz PRWNFVJQXGSVOJ-HXUWFJFHSA-N 2 0 343.515 2.447 10 0 EEAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CCO1 ZINC000662320563 472070024 /nfs/dbraw/zinc/07/00/24/472070024.db2.gz CMRKVARCNXCVER-QGZVFWFLSA-N 2 0 337.439 2.197 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]2CCCC2)cc1 ZINC000662425571 472105636 /nfs/dbraw/zinc/10/56/36/472105636.db2.gz JUYMNPFRBWAQES-ZWKOTPCHSA-N 2 0 333.476 2.000 10 0 EEAERP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC[NH2+]CC1 ZINC000662710230 472217496 /nfs/dbraw/zinc/21/74/96/472217496.db2.gz GBGYQUFYTJKODP-IBGZPJMESA-N 2 0 341.499 2.405 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CC[NH2+]2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662755144 472236763 /nfs/dbraw/zinc/23/67/63/472236763.db2.gz CDWXORBNJXORMX-RTBURBONSA-N 2 0 341.499 2.498 10 0 EEAERP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cscn1 ZINC000666079119 472298779 /nfs/dbraw/zinc/29/87/79/472298779.db2.gz NVGRRBIXINFZND-AWEZNQCLSA-N 2 0 341.525 2.119 10 0 EEAERP C[NH+](Cc1ccccc1)C[C@H](O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000673856002 485557388 /nfs/dbraw/zinc/55/73/88/485557388.db2.gz ICXYBXAFXWEVQR-SFTDATJTSA-N 2 0 345.531 2.143 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC(n2ccnc2)CC1 ZINC000673863661 485558915 /nfs/dbraw/zinc/55/89/15/485558915.db2.gz KAKVZZJXAHETOD-UHFFFAOYSA-N 2 0 337.387 2.333 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000674410131 485727296 /nfs/dbraw/zinc/72/72/96/485727296.db2.gz NYMWDDHDFSBGEO-QZTJIDSGSA-N 2 0 342.487 2.349 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000629545012 485732284 /nfs/dbraw/zinc/73/22/84/485732284.db2.gz PCUOSXOERLDRDQ-JTOWHCCKSA-N 2 0 341.455 2.324 10 0 EEAERP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000684384367 485865057 /nfs/dbraw/zinc/86/50/57/485865057.db2.gz VZHOYJWIKHXJOO-IAGOWNOFSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000675092333 485900387 /nfs/dbraw/zinc/90/03/87/485900387.db2.gz WVFKREBAYBOCBG-NXHRZFHOSA-N 2 0 330.476 2.043 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000685048140 486073556 /nfs/dbraw/zinc/07/35/56/486073556.db2.gz JPUBGWANAVIKCP-QGZVFWFLSA-N 2 0 336.524 2.426 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000173946644 534093676 /nfs/dbraw/zinc/09/36/76/534093676.db2.gz BUVWIGCAHCUHHW-YJBOKZPZSA-N 2 0 332.492 2.372 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422840768 536596659 /nfs/dbraw/zinc/59/66/59/536596659.db2.gz UPMZTBRYPZQYCO-HZPDHXFCSA-N 2 0 325.522 2.304 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000731600452 577110147 /nfs/dbraw/zinc/11/01/47/577110147.db2.gz OEQXITQESBLZIX-SFHVURJKSA-N 2 0 330.476 2.251 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000914329129 683499790 /nfs/dbraw/zinc/49/97/90/683499790.db2.gz MNLGKRKKPYTCMK-XYVMCAHJSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001485537621 1191827508 /nfs/dbraw/zinc/82/75/08/1191827508.db2.gz QFZSJNRHTOOANB-IFXJQAMLSA-N 2 0 345.462 2.345 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCCCF)C[C@H]21 ZINC001485601576 1191856689 /nfs/dbraw/zinc/85/66/89/1191856689.db2.gz OVFVHNQBMZMNBR-ZJPYXAASSA-N 2 0 339.499 2.293 10 0 EEAERP CCCc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001485613922 1191862602 /nfs/dbraw/zinc/86/26/02/1191862602.db2.gz DIZAWYSKNNAVNX-OWZKRDHZSA-N 2 0 343.515 2.385 10 0 EEAERP Cc1cccnc1C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545286 1176804552 /nfs/dbraw/zinc/80/45/52/1176804552.db2.gz OUAJSSMLZSGFOK-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1C[C@H]1CCCCO1 ZINC001670728815 1177157233 /nfs/dbraw/zinc/15/72/33/1177157233.db2.gz CKSCWGQUBDUOML-QZTJIDSGSA-N 2 0 337.508 2.012 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001266814924 1177474865 /nfs/dbraw/zinc/47/48/65/1177474865.db2.gz AJEYAXYXDVMHIQ-ZNMIVQPWSA-N 2 0 331.451 2.200 10 0 EEAERP COCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001266856856 1177588175 /nfs/dbraw/zinc/58/81/75/1177588175.db2.gz ZYLODAJZCXGLAR-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001266939788 1177854551 /nfs/dbraw/zinc/85/45/51/1177854551.db2.gz OMRZKUSWOPGVQR-AEGPPILISA-N 2 0 338.883 2.060 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001691360091 1177967513 /nfs/dbraw/zinc/96/75/13/1177967513.db2.gz OAQNAFFRRPZFOZ-MSOLQXFVSA-N 2 0 333.451 2.391 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001698812262 1177989408 /nfs/dbraw/zinc/98/94/08/1177989408.db2.gz YETUTTRULNKPEN-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001266995612 1178052605 /nfs/dbraw/zinc/05/26/05/1178052605.db2.gz VMADJEKUGCYJOY-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC001267090646 1178218315 /nfs/dbraw/zinc/21/83/15/1178218315.db2.gz KBAXAZQNIMHGBQ-LSDHHAIUSA-N 2 0 338.521 2.392 10 0 EEAERP CC1CC[NH+](CC(=O)NCc2ccc(CC[NH2+]CCF)cc2)CC1 ZINC001267098922 1178236299 /nfs/dbraw/zinc/23/62/99/1178236299.db2.gz YWTZCHYUSJRGMK-UHFFFAOYSA-N 2 0 335.467 2.136 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC(F)(F)C1 ZINC001267163300 1178365789 /nfs/dbraw/zinc/36/57/89/1178365789.db2.gz QOCAUOPQWWWGAI-HOTGVXAUSA-N 2 0 343.462 2.487 10 0 EEAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1)[NH+](C)C ZINC001267178904 1178432171 /nfs/dbraw/zinc/43/21/71/1178432171.db2.gz GRWZDRDLPVJKDC-HZPDHXFCSA-N 2 0 336.480 2.184 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCF)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691786417 1178538205 /nfs/dbraw/zinc/53/82/05/1178538205.db2.gz ZFBMLTJORPCVDY-ULQDDVLXSA-N 2 0 339.499 2.485 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001691459257 1178871317 /nfs/dbraw/zinc/87/13/17/1178871317.db2.gz VLOBAJJKOUVHPR-UHFFFAOYSA-N 2 0 347.503 2.072 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC001481072624 1179676355 /nfs/dbraw/zinc/67/63/55/1179676355.db2.gz VMXBULDKOYBTOA-SFHVURJKSA-N 2 0 345.487 2.132 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001481246798 1180441013 /nfs/dbraw/zinc/44/10/13/1180441013.db2.gz ZILKKHRYQJVKTK-IEBWSBKVSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2cccc(N(C)C)c2)CC[N@@H+]1C ZINC001481271973 1180583603 /nfs/dbraw/zinc/58/36/03/1180583603.db2.gz NNRGTBAAIONNHU-WMZOPIPTSA-N 2 0 346.519 2.031 10 0 EEAERP CC(C)OCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001267841455 1180620145 /nfs/dbraw/zinc/62/01/45/1180620145.db2.gz BUTVUSFAMWWADP-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F ZINC001267994296 1180936525 /nfs/dbraw/zinc/93/65/25/1180936525.db2.gz QBZKLSUJBGVSJZ-KGLIPLIRSA-N 2 0 337.430 2.401 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001481318240 1181019212 /nfs/dbraw/zinc/01/92/12/1181019212.db2.gz UEETXSHTEPGYQD-RYUDHWBXSA-N 2 0 344.912 2.217 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001481463361 1181468810 /nfs/dbraw/zinc/46/88/10/1181468810.db2.gz DZAYFUGXJAYGLU-WOJBJXKFSA-N 2 0 343.515 2.399 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCOC(C)C)C1 ZINC001481530462 1181656644 /nfs/dbraw/zinc/65/66/44/1181656644.db2.gz ZPWOSTOFNKRVGY-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001268286770 1182166263 /nfs/dbraw/zinc/16/62/63/1182166263.db2.gz FBRAKCUBSUQBLE-DLBZAZTESA-N 2 0 327.488 2.341 10 0 EEAERP C[C@H](CC[NH2+]CCCC1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268394462 1182459836 /nfs/dbraw/zinc/45/98/36/1182459836.db2.gz MEPGYMRAVCUKBJ-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268403968 1182515935 /nfs/dbraw/zinc/51/59/35/1182515935.db2.gz OOYSIORXYPJFKV-IRXDYDNUSA-N 2 0 332.492 2.331 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268427084 1182595820 /nfs/dbraw/zinc/59/58/20/1182595820.db2.gz UUAWIJOGOSTOFC-INIZCTEOSA-N 2 0 331.504 2.500 10 0 EEAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001481774195 1182669798 /nfs/dbraw/zinc/66/97/98/1182669798.db2.gz INQHFWQAMSQSHP-GOSISDBHSA-N 2 0 332.492 2.073 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCO[C@H](C)C1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268468529 1182807964 /nfs/dbraw/zinc/80/79/64/1182807964.db2.gz DHLBFSOZLADJDE-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)CC[NH+](C)C ZINC001268477171 1182893545 /nfs/dbraw/zinc/89/35/45/1182893545.db2.gz ZTFQYVGKMRDBFE-KRWDZBQOSA-N 2 0 331.504 2.181 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)CC[NH+](C)C ZINC001268477175 1182894346 /nfs/dbraw/zinc/89/43/46/1182894346.db2.gz ZTFQYVGKMRDBFE-QGZVFWFLSA-N 2 0 331.504 2.181 10 0 EEAERP CCN(CC[NH2+]CC1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268482704 1182943748 /nfs/dbraw/zinc/94/37/48/1182943748.db2.gz WEAVWPOXUJQPSU-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(C[NH2+]C[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001481953185 1183029788 /nfs/dbraw/zinc/02/97/88/1183029788.db2.gz WHPKZIVXSRDEMT-PXNSSMCTSA-N 2 0 329.488 2.321 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001481963353 1183037775 /nfs/dbraw/zinc/03/77/75/1183037775.db2.gz VRNUDIVONSRDND-KBXCAEBGSA-N 2 0 336.480 2.089 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]Cc3cccnc3)CC2)CC[N@@H+]1C ZINC001481999130 1183107739 /nfs/dbraw/zinc/10/77/39/1183107739.db2.gz OQTAREZFGULWOL-VQIMIIECSA-N 2 0 344.503 2.140 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)no1 ZINC001481999898 1183113945 /nfs/dbraw/zinc/11/39/45/1183113945.db2.gz ZGEUBCLZVFWVKS-UHFFFAOYSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(C[NH+]2CCC(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001482041890 1183212595 /nfs/dbraw/zinc/21/25/95/1183212595.db2.gz ACIRWHJFVDCVPS-RDTXWAMCSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC001268550310 1183234029 /nfs/dbraw/zinc/23/40/29/1183234029.db2.gz OCUASYYNGWJCMG-ARJAWSKDSA-N 2 0 341.499 2.422 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCn2cncc2C1)C[NH2+]CCc1cccs1 ZINC001482117613 1183350931 /nfs/dbraw/zinc/35/09/31/1183350931.db2.gz XCEXRCYLIDKJNO-CABCVRRESA-N 2 0 346.500 2.092 10 0 EEAERP Cc1conc1C[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001482119091 1183355297 /nfs/dbraw/zinc/35/52/97/1183355297.db2.gz SYDRORVRGYFIQF-LBPRGKRZSA-N 2 0 341.415 2.095 10 0 EEAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268591706 1183393371 /nfs/dbraw/zinc/39/33/71/1183393371.db2.gz BFDMTDUINVQOOF-YMHTTXFNSA-N 2 0 329.488 2.250 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCc1cccc(F)c1 ZINC001482169776 1183496585 /nfs/dbraw/zinc/49/65/85/1183496585.db2.gz WCBFSFNGPZFISE-WBVHZDCISA-N 2 0 335.467 2.052 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cncc(C)c1 ZINC001268630127 1183555368 /nfs/dbraw/zinc/55/53/68/1183555368.db2.gz FXZWVORQXQNBGE-OOFWQKGWSA-N 2 0 330.476 2.026 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCCC(F)(F)F)C2)CC[N@@H+]1C ZINC001268828704 1183747256 /nfs/dbraw/zinc/74/72/56/1183747256.db2.gz JVIMHOXFWUDKAJ-TZMCWYRMSA-N 2 0 335.414 2.107 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268848226 1183764094 /nfs/dbraw/zinc/76/40/94/1183764094.db2.gz UOLFISMJSAMXQT-OAHLLOKOSA-N 2 0 335.467 2.414 10 0 EEAERP CC[C@@H](C(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1)[NH+](C)C ZINC001482245567 1184657878 /nfs/dbraw/zinc/65/78/78/1184657878.db2.gz IXSUZLZQUBRFAQ-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001270256439 1184964484 /nfs/dbraw/zinc/96/44/84/1184964484.db2.gz YMZSDZYUNTWLJW-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C2CCCC2)C1 ZINC001270457601 1185108406 /nfs/dbraw/zinc/10/84/06/1185108406.db2.gz DMQBJMKQQFUMDI-ZIAGYGMSSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C/C=C/c1ccccc1 ZINC001270566808 1185176485 /nfs/dbraw/zinc/17/64/85/1185176485.db2.gz CVILATOJPLJKPO-JZLODUJNSA-N 2 0 327.472 2.138 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)ccc1C ZINC001482365234 1185521721 /nfs/dbraw/zinc/52/17/21/1185521721.db2.gz SYNLCLUXQHJPAR-MRXNPFEDSA-N 2 0 333.476 2.036 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001482368635 1185530545 /nfs/dbraw/zinc/53/05/45/1185530545.db2.gz IALAVZWIGAQYQR-MJGOQNOKSA-N 2 0 346.519 2.447 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cccnc1)C1CCCCC1 ZINC001482405076 1185627072 /nfs/dbraw/zinc/62/70/72/1185627072.db2.gz YNXUULZRXXWCTL-OALUTQOASA-N 2 0 344.503 2.331 10 0 EEAERP Cc1cccc(OCC[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001482431348 1185697585 /nfs/dbraw/zinc/69/75/85/1185697585.db2.gz CJBNGXZEEXMYTF-PKOBYXMFSA-N 2 0 347.503 2.152 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccn2)CC1 ZINC001271576216 1186318490 /nfs/dbraw/zinc/31/84/90/1186318490.db2.gz MNEBDODTBIZHNE-IBGZPJMESA-N 2 0 344.503 2.284 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCC(F)(F)F ZINC001271725913 1186402081 /nfs/dbraw/zinc/40/20/81/1186402081.db2.gz CBIXWIYYZJACPQ-ZFWWWQNUSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C[NH2+]CCF ZINC001482501783 1186418804 /nfs/dbraw/zinc/41/88/04/1186418804.db2.gz UAFCTOGLBNRKLF-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cn1 ZINC001272773213 1193491199 /nfs/dbraw/zinc/49/11/99/1193491199.db2.gz KXHHDRZWJZMDIQ-RHSMWYFYSA-N 2 0 336.455 2.078 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCCCCF)CC2)C1 ZINC001272778523 1193493501 /nfs/dbraw/zinc/49/35/01/1193493501.db2.gz UCCKJONAOZHMOV-BRWVUGGUSA-N 2 0 327.488 2.343 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)c1sccc1C[NH+](C)C ZINC001505813991 1187651815 /nfs/dbraw/zinc/65/18/15/1187651815.db2.gz BFFJQWMSTQYIFR-UHFFFAOYSA-N 2 0 329.485 2.467 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC001482840321 1187759637 /nfs/dbraw/zinc/75/96/37/1187759637.db2.gz UCKXGQGNQPXBAQ-HNNXBMFYSA-N 2 0 349.523 2.107 10 0 EEAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482925217 1187845490 /nfs/dbraw/zinc/84/54/90/1187845490.db2.gz OBHZSKVQUPFTKL-NSDNCLLMSA-N 2 0 341.499 2.480 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482945144 1187875643 /nfs/dbraw/zinc/87/56/43/1187875643.db2.gz YYDBPILJHSGPGI-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482969686 1187909869 /nfs/dbraw/zinc/90/98/69/1187909869.db2.gz IKJDHHYFLMAVDQ-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001272853124 1193577269 /nfs/dbraw/zinc/57/72/69/1193577269.db2.gz DUKLDZMZCHZFMP-CQSZACIVSA-N 2 0 343.462 2.392 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001483143882 1188750944 /nfs/dbraw/zinc/75/09/44/1188750944.db2.gz GYDAJIUVLYNNOI-MRXNPFEDSA-N 2 0 344.503 2.428 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CCc1nccn1C ZINC001483151597 1188882680 /nfs/dbraw/zinc/88/26/80/1188882680.db2.gz NSEDQPDKAWGQMJ-ZIAGYGMSSA-N 2 0 342.434 2.273 10 0 EEAERP C[C@H](C[NH2+]Cc1cscc1Br)NC(=O)CC[NH+](C)C ZINC001483162681 1188986858 /nfs/dbraw/zinc/98/68/58/1188986858.db2.gz KSQHERKVEKJBLQ-SNVBAGLBSA-N 2 0 348.310 2.057 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001483172541 1189024742 /nfs/dbraw/zinc/02/47/42/1189024742.db2.gz RHILJPIMMOPBRO-AEFFLSMTSA-N 2 0 349.523 2.321 10 0 EEAERP Cc1ncc(C[NH2+]CC(C)(C)CN(C)C(=O)C2([NH+](C)C)CCC2)o1 ZINC001409456492 1189705215 /nfs/dbraw/zinc/70/52/15/1189705215.db2.gz SYMTZNRCTIZZHR-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CCN1c1cc[nH+]cc1 ZINC000905523299 1189768644 /nfs/dbraw/zinc/76/86/44/1189768644.db2.gz QKZWUXQQOOVVBE-OAHLLOKOSA-N 2 0 349.548 2.054 10 0 EEAERP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409478725 1189819210 /nfs/dbraw/zinc/81/92/10/1189819210.db2.gz UGXUKLVSPHLQHU-KGLIPLIRSA-N 2 0 339.430 2.086 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001483385430 1190434841 /nfs/dbraw/zinc/43/48/41/1190434841.db2.gz WIRDUYOMPZUWPK-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565307 1190554524 /nfs/dbraw/zinc/55/45/24/1190554524.db2.gz SWOUVUAZIHQACI-KGLIPLIRSA-N 2 0 335.414 2.298 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1csc(C)n1 ZINC001483619810 1190601110 /nfs/dbraw/zinc/60/11/10/1190601110.db2.gz DPGCXWXKBGVXSS-GDBMZVCRSA-N 2 0 338.521 2.120 10 0 EEAERP COC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001483761265 1190989293 /nfs/dbraw/zinc/98/92/93/1190989293.db2.gz QPCGHPCOQZSCAY-DOTOQJQBSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC001483794927 1191034063 /nfs/dbraw/zinc/03/40/63/1191034063.db2.gz NBZNFPABHVILIH-UHFFFAOYSA-N 2 0 325.403 2.043 10 0 EEAERP CCc1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(=O)CC[NH+](C)C)o1 ZINC001483805828 1191051877 /nfs/dbraw/zinc/05/18/77/1191051877.db2.gz BIZSHMOEISDAHQ-MQVJKMGUSA-N 2 0 348.491 2.190 10 0 EEAERP CC(C)c1ocnc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001483907866 1191120095 /nfs/dbraw/zinc/12/00/95/1191120095.db2.gz FMVBQGGQAMZERP-HUUCEWRRSA-N 2 0 336.480 2.219 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)CC[NH+](C)C ZINC001483908186 1191120246 /nfs/dbraw/zinc/12/02/46/1191120246.db2.gz IHKCZFZUTBPEDM-ROUUACIJSA-N 2 0 347.503 2.376 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cnoc1C)[NH+](CC)CC ZINC001483944629 1191126366 /nfs/dbraw/zinc/12/63/66/1191126366.db2.gz CECLSLCZWOCVEG-IRXDYDNUSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cncn1CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001484053030 1191177260 /nfs/dbraw/zinc/17/72/60/1191177260.db2.gz ZFKXVCLRVSXBKR-SFHVURJKSA-N 2 0 330.407 2.111 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(C)ns2)C1 ZINC001484122472 1191222174 /nfs/dbraw/zinc/22/21/74/1191222174.db2.gz GHOZLTRAVLGLNJ-QGZVFWFLSA-N 2 0 338.521 2.122 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCCC(F)(F)F)C2)C1 ZINC001484124210 1191222905 /nfs/dbraw/zinc/22/29/05/1191222905.db2.gz GKQNDTKDMRAWCX-HOCLYGCPSA-N 2 0 349.441 2.499 10 0 EEAERP O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484185748 1191264314 /nfs/dbraw/zinc/26/43/14/1191264314.db2.gz WNLVCMCUORBRDX-MSOLQXFVSA-N 2 0 349.519 2.058 10 0 EEAERP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001484198290 1191269536 /nfs/dbraw/zinc/26/95/36/1191269536.db2.gz IDHXETBYJJYWCM-DZGCQCFKSA-N 2 0 342.434 2.311 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484354235 1191315634 /nfs/dbraw/zinc/31/56/34/1191315634.db2.gz XDWJESUOSHJQFC-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484561305 1191416573 /nfs/dbraw/zinc/41/65/73/1191416573.db2.gz YANHZNSCFPGDFO-LPHOPBHVSA-N 2 0 347.503 2.473 10 0 EEAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC001484580401 1191425306 /nfs/dbraw/zinc/42/53/06/1191425306.db2.gz FXENBLPRTFXLCW-KURKYZTESA-N 2 0 333.520 2.299 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCc2cccc(F)c2)CCC1 ZINC001484662641 1191462552 /nfs/dbraw/zinc/46/25/52/1191462552.db2.gz OUCXJMAPAXQNAQ-UHFFFAOYSA-N 2 0 347.478 2.483 10 0 EEAERP Cc1nc(CN2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988172 1191604444 /nfs/dbraw/zinc/60/44/44/1191604444.db2.gz QWKLEBWSKOLWJM-DZGCQCFKSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485155145 1191667873 /nfs/dbraw/zinc/66/78/73/1191667873.db2.gz IQYQGNMIFVIOCR-IAGOWNOFSA-N 2 0 347.503 2.341 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192211 1191686958 /nfs/dbraw/zinc/68/69/58/1191686958.db2.gz ZJAZKFHHAQFFPK-GJZGRUSLSA-N 2 0 335.467 2.459 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485207045 1191693273 /nfs/dbraw/zinc/69/32/73/1191693273.db2.gz SVEIQTAJDJBDCI-ZIAGYGMSSA-N 2 0 336.480 2.006 10 0 EEAERP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001486165239 1193708421 /nfs/dbraw/zinc/70/84/21/1193708421.db2.gz GEWSVVZGEMNAKH-FGTMMUONSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)N(CC[N@H+](C)CCc1ccccc1F)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001486380012 1193891551 /nfs/dbraw/zinc/89/15/51/1193891551.db2.gz VPDYVRHYRDCUES-GOSISDBHSA-N 2 0 349.494 2.489 10 0 EEAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486479589 1193994308 /nfs/dbraw/zinc/99/43/08/1193994308.db2.gz RWKCGRSNFJZIIU-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486482972 1193997236 /nfs/dbraw/zinc/99/72/36/1193997236.db2.gz AKPJVLZXNQEPQX-DAWZGUTISA-N 2 0 348.491 2.182 10 0 EEAERP COC[C@H](C)[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001671059276 1195065149 /nfs/dbraw/zinc/06/51/49/1195065149.db2.gz IMWAIIZYTILJCO-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001691673057 1197470358 /nfs/dbraw/zinc/47/03/58/1197470358.db2.gz RDCMBHIPSJZORV-SLFFLAALSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)co1 ZINC001273205322 1197532845 /nfs/dbraw/zinc/53/28/45/1197532845.db2.gz YRRUKCXCMVDESC-WMLDXEAASA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001410395216 1197796298 /nfs/dbraw/zinc/79/62/98/1197796298.db2.gz XPXTXNFXVONJHZ-KSSFIOAISA-N 2 0 348.491 2.327 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001410453681 1197924167 /nfs/dbraw/zinc/92/41/67/1197924167.db2.gz OVVBSASVWWYEPC-QEJZJMRPSA-N 2 0 338.521 2.118 10 0 EEAERP COc1ccccc1[C@H]1CSCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000872157643 1198062644 /nfs/dbraw/zinc/06/26/44/1198062644.db2.gz PAXFNOVRKQCOLU-QGZVFWFLSA-N 2 0 335.517 2.080 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000872205906 1198085648 /nfs/dbraw/zinc/08/56/48/1198085648.db2.gz LIXATEDZLALYJJ-FUMNGEBKSA-N 2 0 346.515 2.399 10 0 EEAERP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872230339 1198100239 /nfs/dbraw/zinc/10/02/39/1198100239.db2.gz YHSLLGPMTUURAX-GPJFCIFZSA-N 2 0 333.520 2.332 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnc2c(F)cccc2c1)CN1CC[NH+](C)CC1 ZINC000865448925 1198223167 /nfs/dbraw/zinc/22/31/67/1198223167.db2.gz NRNUQRSIFZPOPF-HNNXBMFYSA-N 2 0 330.451 2.347 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@@H]2C1 ZINC001410924224 1198588036 /nfs/dbraw/zinc/58/80/36/1198588036.db2.gz MMSAAAQBLIVBPY-AZLYDMOWSA-N 2 0 348.318 2.474 10 0 EEAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001411002015 1198678324 /nfs/dbraw/zinc/67/83/24/1198678324.db2.gz CSHPMOKCCWYVKC-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001411030214 1198709835 /nfs/dbraw/zinc/70/98/35/1198709835.db2.gz XDRMVCBXFZBFIT-LSDHHAIUSA-N 2 0 349.441 2.211 10 0 EEAERP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)[NH+](C)C ZINC000874511736 1198911938 /nfs/dbraw/zinc/91/19/38/1198911938.db2.gz ZSOMVKLQOBWLRZ-NLWGTHIKSA-N 2 0 329.488 2.307 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(F)cc2)C(C)(C)C)C1 ZINC001411220460 1198930671 /nfs/dbraw/zinc/93/06/71/1198930671.db2.gz FWFWSWLNKIWKND-DOTOQJQBSA-N 2 0 335.467 2.398 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000869765344 1200264482 /nfs/dbraw/zinc/26/44/82/1200264482.db2.gz JNBOMOOMQFBPDF-BBWFWOEESA-N 2 0 339.524 2.065 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C[C@H]1C[NH+](C)C ZINC000870016978 1200409434 /nfs/dbraw/zinc/40/94/34/1200409434.db2.gz DHCADTYWNQOCKY-BRSBDYLESA-N 2 0 335.536 2.401 10 0 EEAERP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000870021075 1200411688 /nfs/dbraw/zinc/41/16/88/1200411688.db2.gz ZTBXJBVERVWJET-HZPDHXFCSA-N 2 0 337.895 2.460 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc2[nH]ccc21 ZINC000878589355 1200559001 /nfs/dbraw/zinc/55/90/01/1200559001.db2.gz KKKRCNJUDJWFHA-HNNXBMFYSA-N 2 0 343.475 2.051 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH+](C)C ZINC000866040884 1201411955 /nfs/dbraw/zinc/41/19/55/1201411955.db2.gz KQWJMTILLJELRD-CHWSQXEVSA-N 2 0 340.418 2.168 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429802 1205033312 /nfs/dbraw/zinc/03/33/12/1205033312.db2.gz GWIRTEGMTIQYMA-WWAHUKDKSA-N 2 0 341.446 2.311 10 0 EEAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001274512370 1205063121 /nfs/dbraw/zinc/06/31/21/1205063121.db2.gz WXNXPHVYXIAXSC-OGZRUICASA-N 2 0 325.403 2.067 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001274974683 1205223397 /nfs/dbraw/zinc/22/33/97/1205223397.db2.gz VGTVGJXVKUCFOY-SJORKVTESA-N 2 0 339.524 2.018 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480525 1205378977 /nfs/dbraw/zinc/37/89/77/1205378977.db2.gz IKIUJVGOVDUVLJ-IRXDYDNUSA-N 2 0 347.503 2.198 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001275541063 1205402224 /nfs/dbraw/zinc/40/22/24/1205402224.db2.gz OQOKWLLCPOBJLG-HUUCEWRRSA-N 2 0 335.517 2.259 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)o1 ZINC001276001435 1205628547 /nfs/dbraw/zinc/62/85/47/1205628547.db2.gz JKPNKMPROMYANO-KRWDZBQOSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]CC[C@@H]1CCOC1)[NH+]1CCCCCC1 ZINC001276258948 1205859105 /nfs/dbraw/zinc/85/91/05/1205859105.db2.gz OSOXNSPSQLMEPY-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925521865 1206122415 /nfs/dbraw/zinc/12/24/15/1206122415.db2.gz KQKJCGSLWXMLQK-BHIYHBOVSA-N 2 0 328.504 2.057 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925551153 1206126397 /nfs/dbraw/zinc/12/63/97/1206126397.db2.gz FINXGUVLLGLRTI-HNAYVOBHSA-N 2 0 345.487 2.404 10 0 EEAERP C[NH+](C)CCOc1cccc(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925564997 1206128740 /nfs/dbraw/zinc/12/87/40/1206128740.db2.gz XBUXGMMHDRFTCM-CEXWTWQISA-N 2 0 331.504 2.493 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C12CCC2 ZINC000925659077 1206141172 /nfs/dbraw/zinc/14/11/72/1206141172.db2.gz AQVCYDXNCWHOET-IHRRRGAJSA-N 2 0 325.250 2.342 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000925673912 1206142471 /nfs/dbraw/zinc/14/24/71/1206142471.db2.gz ZQHWPFOWKLIRJU-ZIAGYGMSSA-N 2 0 329.444 2.168 10 0 EEAERP CC1(C)[C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925671747 1206142583 /nfs/dbraw/zinc/14/25/83/1206142583.db2.gz FNJCXUNTUMDBGZ-HZSPNIEDSA-N 2 0 341.297 2.402 10 0 EEAERP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n(C)c1C ZINC000925769349 1206152550 /nfs/dbraw/zinc/15/25/50/1206152550.db2.gz PCUDNNNBCSDXNP-MSOLQXFVSA-N 2 0 333.476 2.378 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000925809870 1206156474 /nfs/dbraw/zinc/15/64/74/1206156474.db2.gz BHTXMJPRNOEUFX-LJQANCHMSA-N 2 0 328.435 2.323 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846931 1206159691 /nfs/dbraw/zinc/15/96/91/1206159691.db2.gz VQGWABBFXXALQS-CTNGQTDRSA-N 2 0 344.547 2.172 10 0 EEAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845937 1206159750 /nfs/dbraw/zinc/15/97/50/1206159750.db2.gz QEJJWQPOKOWIGT-SFHVURJKSA-N 2 0 346.519 2.093 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC12CC[NH2+]CC2 ZINC000925852532 1206160953 /nfs/dbraw/zinc/16/09/53/1206160953.db2.gz VVSSMPSOQBJSHH-AGIUHOORSA-N 2 0 334.382 2.382 10 0 EEAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925854490 1206161204 /nfs/dbraw/zinc/16/12/04/1206161204.db2.gz RTQMWJPEMMCOOU-IIDMSEBBSA-N 2 0 346.471 2.462 10 0 EEAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000926167398 1206200599 /nfs/dbraw/zinc/20/05/99/1206200599.db2.gz NORIQIUAEIQFFU-HOTGVXAUSA-N 2 0 334.489 2.155 10 0 EEAERP COc1ccc2c(c1)C[C@@H](C[NH+]1CCN(c3cc[nH+]cc3)CC1)O2 ZINC000929836051 1206506568 /nfs/dbraw/zinc/50/65/68/1206506568.db2.gz PICWPLNKDPCQPD-SFHVURJKSA-N 2 0 325.412 2.216 10 0 EEAERP Cc1cc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000717948673 1211660664 /nfs/dbraw/zinc/66/06/64/1211660664.db2.gz FJPWQBHPLOYFOF-UHFFFAOYSA-N 2 0 342.487 2.235 10 0 EEAERP C[C@@H]1C[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1Cc1ccccc1 ZINC000901192341 1235357941 /nfs/dbraw/zinc/35/79/41/1235357941.db2.gz LMVJAQTUTHRNOO-MJGOQNOKSA-N 2 0 341.499 2.499 10 0 EEAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001413344547 1235648265 /nfs/dbraw/zinc/64/82/65/1235648265.db2.gz NJHNFWYIMAMODV-WMLDXEAASA-N 2 0 335.467 2.335 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000903492432 1240657316 /nfs/dbraw/zinc/65/73/16/1240657316.db2.gz CUOKFAILHXRZAF-KSMMKXTCSA-N 2 0 343.402 2.086 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903496890 1240676010 /nfs/dbraw/zinc/67/60/10/1240676010.db2.gz IXNNZOQOLVNLBX-NVXWUHKLSA-N 2 0 347.507 2.319 10 0 EEAERP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964723 1242759586 /nfs/dbraw/zinc/75/95/86/1242759586.db2.gz UTNCAEVOSQONKF-CKEIUWERSA-N 2 0 329.444 2.039 10 0 EEAERP COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001491225824 1258810191 /nfs/dbraw/zinc/81/01/91/1258810191.db2.gz QBDWVUURBJWBGK-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(Cl)nc1 ZINC001267243414 1276670812 /nfs/dbraw/zinc/67/08/12/1276670812.db2.gz XHDLHYLTSOVNMU-INIZCTEOSA-N 2 0 340.899 2.259 10 0 EEAERP Cc1csc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001490902006 1287275734 /nfs/dbraw/zinc/27/57/34/1287275734.db2.gz JKYHFFMKENLSHI-KKUMJFAQSA-N 2 0 336.505 2.063 10 0 EEAERP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCCOC)CC1 ZINC001273598261 1280784320 /nfs/dbraw/zinc/78/43/20/1280784320.db2.gz ACRNKUKKXZHMBI-CWNLKTMVSA-N 2 0 349.519 2.129 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001489341257 1290527041 /nfs/dbraw/zinc/52/70/41/1290527041.db2.gz CQYQNQKNVGFWSI-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001490195189 1291028809 /nfs/dbraw/zinc/02/88/09/1291028809.db2.gz DXQWLLPSCUETHM-CRAIPNDOSA-N 2 0 335.467 2.434 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001490561199 1291458730 /nfs/dbraw/zinc/45/87/30/1291458730.db2.gz XTLJSNPZVZWBEM-ZIAGYGMSSA-N 2 0 335.414 2.251 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001490699283 1291631823 /nfs/dbraw/zinc/63/18/23/1291631823.db2.gz DBYNQHOWETUCJE-LJQANCHMSA-N 2 0 329.488 2.111 10 0 EEAERP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855163385 1293095405 /nfs/dbraw/zinc/09/54/05/1293095405.db2.gz XDUZPXMKVYCJGC-RDTXWAMCSA-N 2 0 327.488 2.436 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925488721 1293102407 /nfs/dbraw/zinc/10/24/07/1293102407.db2.gz FNYMYQWUTSLKPX-YZGWKJHDSA-N 3 0 336.568 2.018 10 0 EEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1cn(C)nn1 ZINC000859250939 1294363869 /nfs/dbraw/zinc/36/38/69/1294363869.db2.gz RJTSHMMUNOUNRN-HZPDHXFCSA-N 2 0 327.476 2.104 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC=C(Cl)Cl)C1 ZINC001277942217 1305213811 /nfs/dbraw/zinc/21/38/11/1305213811.db2.gz WDJVEGRREROEKT-STQMWFEESA-N 2 0 334.291 2.228 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278315731 1309359234 /nfs/dbraw/zinc/35/92/34/1309359234.db2.gz MMNYEVMLIDZRPV-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2C)C[C@@H]1C ZINC001278416619 1310168169 /nfs/dbraw/zinc/16/81/69/1310168169.db2.gz ORJNFDYFZDCLDZ-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001276399095 1314735135 /nfs/dbraw/zinc/73/51/35/1314735135.db2.gz IDWZYNLTXRJXSV-UHFFFAOYSA-N 2 0 340.471 2.395 10 0 EEAERP CCOC(=O)CC(C)(C)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000839097568 1315201050 /nfs/dbraw/zinc/20/10/50/1315201050.db2.gz SKQVDAAUHZWHAW-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCC[NH3+])c2)[C@@H](C)C1 ZINC000841284126 1315521123 /nfs/dbraw/zinc/52/11/23/1315521123.db2.gz DGWSKZVUTBKHNS-WMLDXEAASA-N 2 0 334.464 2.218 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc(C[NH3+])cc2)cc(Cl)n1 ZINC000843512027 1315926824 /nfs/dbraw/zinc/92/68/24/1315926824.db2.gz FBKZCJUCYJLKCQ-OAHLLOKOSA-N 2 0 332.835 2.208 10 0 EEAERP C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001278817716 1318200682 /nfs/dbraw/zinc/20/06/82/1318200682.db2.gz TVVFSPSAMPMVEP-SJORKVTESA-N 2 0 341.540 2.096 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)on1 ZINC001264518487 1322722911 /nfs/dbraw/zinc/72/29/11/1322722911.db2.gz SPJUKYJPBVJPRS-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001264987961 1322836392 /nfs/dbraw/zinc/83/63/92/1322836392.db2.gz SIFWZULDBFGICK-UKRRQHHQSA-N 2 0 339.430 2.243 10 0 EEAERP CN(C)c1ccccc1C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265031000 1322873290 /nfs/dbraw/zinc/87/32/90/1322873290.db2.gz SKMSZFNHSSSBLL-UHFFFAOYSA-N 2 0 346.519 2.033 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088754 1322914392 /nfs/dbraw/zinc/91/43/92/1322914392.db2.gz FSSCUZYWKCNWMI-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001265456051 1323165318 /nfs/dbraw/zinc/16/53/18/1323165318.db2.gz DSHISEUIPRESHA-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001265558152 1323219460 /nfs/dbraw/zinc/21/94/60/1323219460.db2.gz OOVOUVOYSKIRCK-SCTDSRPQSA-N 2 0 347.503 2.259 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001265569792 1323223585 /nfs/dbraw/zinc/22/35/85/1323223585.db2.gz FJJZPQXEDYXAJR-KDURUIRLSA-N 2 0 329.488 2.260 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265616247 1323269888 /nfs/dbraw/zinc/26/98/88/1323269888.db2.gz ZADROSXNURZREQ-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOC(C)C ZINC001265692072 1323324736 /nfs/dbraw/zinc/32/47/36/1323324736.db2.gz YAOOJCYGRQIXKU-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@H+](C)CCC(F)(F)F)C1 ZINC001265954391 1323516848 /nfs/dbraw/zinc/51/68/48/1323516848.db2.gz POUPUMNZPFLWKZ-KGLIPLIRSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H](c1nc2ccccc2o1)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974537 1323533984 /nfs/dbraw/zinc/53/39/84/1323533984.db2.gz RHKMQGUOKMFHOF-OAHLLOKOSA-N 2 0 344.459 2.423 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCC1CCOCC1 ZINC001265978471 1323538166 /nfs/dbraw/zinc/53/81/66/1323538166.db2.gz OCIHFQWDMORRAT-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001266008885 1323562060 /nfs/dbraw/zinc/56/20/60/1323562060.db2.gz KSHRLUKGXOGXDR-HTEAGGNKSA-N 2 0 327.900 2.299 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266028640 1323579730 /nfs/dbraw/zinc/57/97/30/1323579730.db2.gz ARRCBPUISBTQET-CYBMUJFWSA-N 2 0 336.307 2.475 10 0 EEAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266113724 1323681718 /nfs/dbraw/zinc/68/17/18/1323681718.db2.gz RWYIUQZNTIFSPQ-LJQANCHMSA-N 2 0 347.503 2.321 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001279184173 1323847522 /nfs/dbraw/zinc/84/75/22/1323847522.db2.gz UYYGNMYAIPLFFX-PKOBYXMFSA-N 2 0 331.504 2.255 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCCCF ZINC001279578258 1323944636 /nfs/dbraw/zinc/94/46/36/1323944636.db2.gz XKLDSWWDMHEXDD-BRWVUGGUSA-N 2 0 325.472 2.286 10 0 EEAERP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC001276593659 1324687489 /nfs/dbraw/zinc/68/74/89/1324687489.db2.gz NIWLSARMPAIHAO-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCc2cccc(F)c2)C1 ZINC001282040901 1325594628 /nfs/dbraw/zinc/59/46/28/1325594628.db2.gz APLVVMUSTWIFMV-NKELODKYSA-N 2 0 347.478 2.337 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCc2ccccc2)C1 ZINC001282042282 1325595550 /nfs/dbraw/zinc/59/55/50/1325595550.db2.gz SVCGLUFQSVDNGH-CTWPCTMYSA-N 2 0 329.488 2.198 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1)[NH+]1CCCC1 ZINC001283111678 1325922559 /nfs/dbraw/zinc/92/25/59/1325922559.db2.gz UHBQHTWUDXGRCO-QAETUUGQSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)co1 ZINC001283193124 1325951448 /nfs/dbraw/zinc/95/14/48/1325951448.db2.gz YJKXUASIDGDJND-OAHLLOKOSA-N 2 0 348.491 2.234 10 0 EEAERP COc1cccc(CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001283582320 1326145199 /nfs/dbraw/zinc/14/51/99/1326145199.db2.gz MBFQVKBTPZPSEY-LPHOPBHVSA-N 2 0 347.503 2.159 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001316633873 1326638078 /nfs/dbraw/zinc/63/80/78/1326638078.db2.gz UQYKOSVGHSHUIA-ZHALLVOQSA-N 2 0 345.487 2.034 10 0 EEAERP Cc1oncc1CN1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001284995600 1326818087 /nfs/dbraw/zinc/81/80/87/1326818087.db2.gz RCLILTJEUXMHGB-UHFFFAOYSA-N 2 0 346.475 2.107 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccns1)c1ccccc1 ZINC001491641278 1330194436 /nfs/dbraw/zinc/19/44/36/1330194436.db2.gz RQFXKHRMZLYQOU-PBHICJAKSA-N 2 0 346.500 2.430 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1Cl ZINC001491641598 1330194853 /nfs/dbraw/zinc/19/48/53/1330194853.db2.gz PJGUMJHMGDLMJI-LBPRGKRZSA-N 2 0 339.842 2.169 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001491726180 1330232175 /nfs/dbraw/zinc/23/21/75/1330232175.db2.gz LHOKIPWDFJUTCA-VQTJNVASSA-N 2 0 341.499 2.152 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001491885705 1330289062 /nfs/dbraw/zinc/28/90/62/1330289062.db2.gz IRQFXQRVNFLXOT-ROUUACIJSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001491957019 1330350121 /nfs/dbraw/zinc/35/01/21/1330350121.db2.gz ZIXIQTATTSDJAU-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccc(Cl)cc1 ZINC001492128581 1330981350 /nfs/dbraw/zinc/98/13/50/1330981350.db2.gz XUMUEVTXHWXIGN-GDBMZVCRSA-N 2 0 337.895 2.319 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492257655 1331119162 /nfs/dbraw/zinc/11/91/62/1331119162.db2.gz RRFCVDGIZRNKRI-AWEZNQCLSA-N 2 0 335.414 2.109 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1cncs1 ZINC001316834708 1331376554 /nfs/dbraw/zinc/37/65/54/1331376554.db2.gz JWOWEDHMXFSJAF-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC[C@H]1CC1(Cl)Cl ZINC001316815280 1331909797 /nfs/dbraw/zinc/90/97/97/1331909797.db2.gz KKBSHCNRZIHFMD-QWHCGFSZSA-N 2 0 336.307 2.103 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1conc1C)C1CC1 ZINC001316927359 1331994657 /nfs/dbraw/zinc/99/46/57/1331994657.db2.gz NPLDKDNEKBERNH-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001317124447 1332087723 /nfs/dbraw/zinc/08/77/23/1332087723.db2.gz MORPJWQMGHBQNW-IYBDPMFKSA-N 2 0 339.430 2.434 10 0 EEAERP CCCCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317174752 1332113957 /nfs/dbraw/zinc/11/39/57/1332113957.db2.gz VXWBSDXIJMCHMM-KZNAEPCWSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001317333774 1332183358 /nfs/dbraw/zinc/18/33/58/1332183358.db2.gz NQLPIVIOKJOGAR-IHPCNDPISA-N 2 0 343.515 2.398 10 0 EEAERP C[NH+]1CCC(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001317430774 1332234351 /nfs/dbraw/zinc/23/43/51/1332234351.db2.gz AYESFTFQMXKTFP-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001317627747 1332335858 /nfs/dbraw/zinc/33/58/58/1332335858.db2.gz WZLOEHXKVINAEP-UHFFFAOYSA-N 2 0 338.496 2.071 10 0 EEAERP COCCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001317721000 1332388066 /nfs/dbraw/zinc/38/80/66/1332388066.db2.gz QOUGMMDPHKFWCE-GOSISDBHSA-N 2 0 345.487 2.098 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001317949593 1332449227 /nfs/dbraw/zinc/44/92/27/1332449227.db2.gz HBDLKEIDWOKEFW-OAHLLOKOSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001318854040 1332611726 /nfs/dbraw/zinc/61/17/26/1332611726.db2.gz GSDFXROXSOKYBL-QGZVFWFLSA-N 2 0 327.488 2.440 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cscn2)CC1 ZINC001318929457 1332625383 /nfs/dbraw/zinc/62/53/83/1332625383.db2.gz QGSXKUQKCBLYJO-UHFFFAOYSA-N 2 0 338.521 2.203 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001319713658 1332748597 /nfs/dbraw/zinc/74/85/97/1332748597.db2.gz LHYJVOWTUCLLAL-QZTJIDSGSA-N 2 0 346.519 2.449 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001319935562 1332799541 /nfs/dbraw/zinc/79/95/41/1332799541.db2.gz JWPADMCEOUJIIO-HUUCEWRRSA-N 2 0 338.883 2.060 10 0 EEAERP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320736791 1332942868 /nfs/dbraw/zinc/94/28/68/1332942868.db2.gz GUOBNWHAPHDKBA-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320861981 1332966970 /nfs/dbraw/zinc/96/69/70/1332966970.db2.gz DVAHVTDVAAJSPO-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001320890860 1332972649 /nfs/dbraw/zinc/97/26/49/1332972649.db2.gz AUYISBZXTPNJRE-UHFFFAOYSA-N 2 0 344.459 2.334 10 0 EEAERP C[C@@H](C[N@H+](C)CCCOc1ccccc1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001322194561 1333225312 /nfs/dbraw/zinc/22/53/12/1333225312.db2.gz UKWQXUACFCFECK-HKUYNNGSSA-N 2 0 347.503 2.376 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001322722218 1333313924 /nfs/dbraw/zinc/31/39/24/1333313924.db2.gz ARBMZUOABKWNMR-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CCCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325055555 1333820475 /nfs/dbraw/zinc/82/04/75/1333820475.db2.gz UMCYCUOXVMIAKA-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP CC[C@@H](F)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001325954742 1334005206 /nfs/dbraw/zinc/00/52/06/1334005206.db2.gz FNBOBUYRKWZTIV-GVDBMIGSSA-N 2 0 327.488 2.389 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001326714004 1334148446 /nfs/dbraw/zinc/14/84/46/1334148446.db2.gz RUTRXSQXVIYMBL-HUUCEWRRSA-N 2 0 347.425 2.251 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001326843696 1334168365 /nfs/dbraw/zinc/16/83/65/1334168365.db2.gz LGLHMXGOMYEXGD-WMZOPIPTSA-N 2 0 349.519 2.201 10 0 EEAERP CC1([NH2+]CCCF)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001327996169 1334375988 /nfs/dbraw/zinc/37/59/88/1334375988.db2.gz SQTQRJWSVCULSQ-HOTGVXAUSA-N 2 0 325.472 2.334 10 0 EEAERP CCCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)Cc1cnc[nH]1)CC2 ZINC001330552713 1334869506 /nfs/dbraw/zinc/86/95/06/1334869506.db2.gz XRVJBNSJLBOCHU-QGZVFWFLSA-N 2 0 348.491 2.130 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001330657242 1334883463 /nfs/dbraw/zinc/88/34/63/1334883463.db2.gz XCGKQLKWCZBMLZ-BQFCYCMXSA-N 2 0 347.478 2.194 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001330961884 1334935642 /nfs/dbraw/zinc/93/56/42/1334935642.db2.gz NAZIHMQLEXLCTI-HIFRSBDPSA-N 2 0 334.464 2.014 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)s1 ZINC001331928442 1335678603 /nfs/dbraw/zinc/67/86/03/1335678603.db2.gz MEUXKPHESMIOAU-HUUCEWRRSA-N 2 0 338.521 2.262 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC001332180470 1335754725 /nfs/dbraw/zinc/75/47/25/1335754725.db2.gz XNGVICVCPFDLAV-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479679941 1337340821 /nfs/dbraw/zinc/34/08/21/1337340821.db2.gz CCBSDEQNPIVJLP-IEBWSBKVSA-N 2 0 347.503 2.106 10 0 EEAERP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001433674037 1341655510 /nfs/dbraw/zinc/65/55/10/1341655510.db2.gz QILHPDGXWUKDKU-WMZOPIPTSA-N 2 0 332.492 2.092 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214685 1355900795 /nfs/dbraw/zinc/90/07/95/1355900795.db2.gz NGRHGNWFLLZXAI-JKSUJKDBSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001670222735 1356298880 /nfs/dbraw/zinc/29/88/80/1356298880.db2.gz ALSSJEFFUOWFCW-HOTGVXAUSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001500372757 1342181406 /nfs/dbraw/zinc/18/14/06/1342181406.db2.gz UCEFCNHOYFQKAP-URLQWDBASA-N 2 0 348.491 2.042 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC1 ZINC001673189129 1356652630 /nfs/dbraw/zinc/65/26/30/1356652630.db2.gz FNSVSROPRZDWQU-UHFFFAOYSA-N 2 0 327.432 2.310 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC[C@H]1CCOC1 ZINC001567016613 1342679733 /nfs/dbraw/zinc/67/97/33/1342679733.db2.gz JMVFXRJQMXIDSR-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001570448201 1343072052 /nfs/dbraw/zinc/07/20/52/1343072052.db2.gz AERBFLKQZOOCAM-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001570976452 1343144910 /nfs/dbraw/zinc/14/49/10/1343144910.db2.gz CBOZVLAGDGZKSJ-NGHLMZTLSA-N 2 0 337.508 2.033 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001571388231 1343202329 /nfs/dbraw/zinc/20/23/29/1343202329.db2.gz MITFTGFAUDLVFQ-GZBFAFLISA-N 2 0 338.883 2.012 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C(C)(C)C1 ZINC001571564213 1343238328 /nfs/dbraw/zinc/23/83/28/1343238328.db2.gz ZLVJPLKGGCMAGM-CQSZACIVSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571679428 1343269577 /nfs/dbraw/zinc/26/95/77/1343269577.db2.gz ZOVUWTZIGAVCEK-QZTJIDSGSA-N 2 0 347.503 2.072 10 0 EEAERP CCc1nocc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766705 1357196813 /nfs/dbraw/zinc/19/68/13/1357196813.db2.gz HSGFKSXIUQCSHP-GOEBONIOSA-N 2 0 336.480 2.048 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccc(C)cc2)C[C@@H]1C ZINC001676775860 1357198388 /nfs/dbraw/zinc/19/83/88/1357198388.db2.gz VTXGNBQGZNWSPN-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1cccnc1 ZINC001676893469 1357234987 /nfs/dbraw/zinc/23/49/87/1357234987.db2.gz JPRJARABZLOOKI-FUHWJXTLSA-N 2 0 332.492 2.283 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CCc3ccccc3)CC2)C1 ZINC001677620649 1357374770 /nfs/dbraw/zinc/37/47/70/1357374770.db2.gz FNOBOBDHWCPPCH-FQEVSTJZSA-N 2 0 341.499 2.319 10 0 EEAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001645892457 1352807720 /nfs/dbraw/zinc/80/77/20/1352807720.db2.gz DUONNJCQJGDYOA-HZPDHXFCSA-N 2 0 332.448 2.033 10 0 EEAERP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ccc(Cl)nc1)C1CCC1 ZINC001649435920 1353502673 /nfs/dbraw/zinc/50/26/73/1353502673.db2.gz BYZQTAKHRPASSK-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC001649850271 1353626232 /nfs/dbraw/zinc/62/62/32/1353626232.db2.gz ULCQBISXBVFDIN-OAHLLOKOSA-N 2 0 333.451 2.469 10 0 EEAERP CCOC(=O)C[C@@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC001658369006 1354359472 /nfs/dbraw/zinc/35/94/72/1354359472.db2.gz LOQKOLLXPYPAGW-LJQANCHMSA-N 2 0 341.540 2.360 10 0 EEAERP C=Cn1cc(C[NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001658786459 1354366229 /nfs/dbraw/zinc/36/62/29/1354366229.db2.gz NXDRLAWBVNCLDN-UHFFFAOYSA-N 2 0 325.460 2.068 10 0 EEAERP Cc1ccncc1C[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001660304164 1354435100 /nfs/dbraw/zinc/43/51/00/1354435100.db2.gz RWSFMFPDSFFEAL-UHFFFAOYSA-N 2 0 334.508 2.306 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](CCCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001660665722 1354512868 /nfs/dbraw/zinc/51/28/68/1354512868.db2.gz MCQUIFGKZZDADM-VQIMIIECSA-N 2 0 345.487 2.049 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC001661644485 1354668479 /nfs/dbraw/zinc/66/84/79/1354668479.db2.gz QMMZGQGZUZZLKU-RWMBFGLXSA-N 2 0 348.318 2.149 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001662239133 1354767480 /nfs/dbraw/zinc/76/74/80/1354767480.db2.gz MNGMVAUSOHCUQC-KRWDZBQOSA-N 2 0 347.503 2.261 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1C ZINC001662425257 1354794872 /nfs/dbraw/zinc/79/48/72/1354794872.db2.gz QXZSAFVJARMSRV-ZWKOTPCHSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001662630320 1354815011 /nfs/dbraw/zinc/81/50/11/1354815011.db2.gz GQHVDPJKSYWTRB-HZSPNIEDSA-N 2 0 335.414 2.107 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[C@H]([NH2+]CCCO)C1 ZINC001662765082 1354840993 /nfs/dbraw/zinc/84/09/93/1354840993.db2.gz CUNPCNRPXLFMQS-JKSUJKDBSA-N 2 0 339.524 2.039 10 0 EEAERP COCc1ccc(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)cc1 ZINC001664044220 1355080572 /nfs/dbraw/zinc/08/05/72/1355080572.db2.gz SKDOUZQKTUWKIQ-UHFFFAOYSA-N 2 0 345.487 2.009 10 0 EEAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCCCOC)C1 ZINC001664677848 1355209012 /nfs/dbraw/zinc/20/90/12/1355209012.db2.gz IUBDVUUQFJNZPD-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCCC(F)(F)F)C1 ZINC001665320880 1355292434 /nfs/dbraw/zinc/29/24/34/1355292434.db2.gz XQDQIIMXKBYXAL-AWEZNQCLSA-N 2 0 335.414 2.251 10 0 EEAERP COCCCC[NH2+]CC1(NC(=O)c2cccc3nccn32)CCCC1 ZINC001665934078 1355412417 /nfs/dbraw/zinc/41/24/17/1355412417.db2.gz WXBBTAHPECEQTM-UHFFFAOYSA-N 2 0 344.459 2.393 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001666991956 1355628431 /nfs/dbraw/zinc/62/84/31/1355628431.db2.gz JBCXKDMRDQHPDH-QZTJIDSGSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001667239009 1355683204 /nfs/dbraw/zinc/68/32/04/1355683204.db2.gz RMJMYDLULSTBDD-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001667279734 1355697444 /nfs/dbraw/zinc/69/74/44/1355697444.db2.gz YBPRJMAHEDAQRO-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2cccnc2)C1 ZINC001667284385 1355697947 /nfs/dbraw/zinc/69/79/47/1355697947.db2.gz KMIVFKUMIQTTNY-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP O=C(N1CCCC[C@@H]1CC[NH2+]Cc1ccns1)C12CC[NH+](CC1)C2 ZINC001667301426 1355703068 /nfs/dbraw/zinc/70/30/68/1355703068.db2.gz CEVSHTCFXLQFRM-OAHLLOKOSA-N 2 0 348.516 2.100 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668310042 1355920789 /nfs/dbraw/zinc/92/07/89/1355920789.db2.gz PQZPXTRERIHFJB-STQMWFEESA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863899 1356026476 /nfs/dbraw/zinc/02/64/76/1356026476.db2.gz AFFMXRGEUWHGET-KAWBWNIXSA-N 2 0 325.472 2.404 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863901 1356026955 /nfs/dbraw/zinc/02/69/55/1356026955.db2.gz AFFMXRGEUWHGET-RDTQODSXSA-N 2 0 325.472 2.404 10 0 EEAERP O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668881938 1356033319 /nfs/dbraw/zinc/03/33/19/1356033319.db2.gz BYEJLKJRXSGRFM-JIYQYTEPSA-N 2 0 341.446 2.311 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001669189317 1356120439 /nfs/dbraw/zinc/12/04/39/1356120439.db2.gz MTICJLOIKSIZIK-RTLBZRNLSA-N 2 0 341.499 2.464 10 0 EEAERP Cc1c(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCCF)C2)ccc2c[nH+]cn21 ZINC001672293401 1356495464 /nfs/dbraw/zinc/49/54/64/1356495464.db2.gz KFIQJQNIHJUXPM-DZGCQCFKSA-N 2 0 332.423 2.300 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001672863122 1356601852 /nfs/dbraw/zinc/60/18/52/1356601852.db2.gz DZVFFCHVQMWEHN-IPUYDCKKSA-N 2 0 336.307 2.474 10 0 EEAERP CCC1([NH2+]CCOC(C)C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001673614392 1356717907 /nfs/dbraw/zinc/71/79/07/1356717907.db2.gz XIJAQTRRILFVPE-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001674019494 1356775338 /nfs/dbraw/zinc/77/53/38/1356775338.db2.gz YQCLNBJKNXDSRY-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCOC2CCC2)CCCCC1 ZINC001675214750 1356946793 /nfs/dbraw/zinc/94/67/93/1356946793.db2.gz VZUWWMLSCMGVKN-UHFFFAOYSA-N 2 0 337.508 2.060 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCCCF)C[C@H]2C1 ZINC001675642599 1357025354 /nfs/dbraw/zinc/02/53/54/1357025354.db2.gz KAPZYFTVKIRHKW-KZNAEPCWSA-N 2 0 339.499 2.439 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001675746141 1357045715 /nfs/dbraw/zinc/04/57/15/1357045715.db2.gz ZJQKMEYRTULZIF-WDSOQIARSA-N 2 0 333.520 2.393 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1CC=CC1 ZINC001675927571 1357071584 /nfs/dbraw/zinc/07/15/84/1357071584.db2.gz LCJJKUNGKGDNJP-SFHVURJKSA-N 2 0 336.524 2.400 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)CC[NH+](C)C ZINC001698843188 1405103578 /nfs/dbraw/zinc/10/35/78/1405103578.db2.gz AUSURMVKGJCHCI-CQSZACIVSA-N 2 0 325.884 2.271 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)co1 ZINC001699545170 1405379864 /nfs/dbraw/zinc/37/98/64/1405379864.db2.gz HBXCWGXWYPNZIX-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCc1cccc(F)c1)C1CC1 ZINC001699573860 1405399818 /nfs/dbraw/zinc/39/98/18/1405399818.db2.gz MHZPQIZMGXSDGR-MOPGFXCFSA-N 2 0 347.478 2.337 10 0 EEAERP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000689850706 761013140 /nfs/dbraw/zinc/01/31/40/761013140.db2.gz KCFXTPDIACMLHO-HKUYNNGSSA-N 2 0 332.488 2.418 10 0 EEAERP C[N@@H+]1CC2(C[C@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccoc1)CC2 ZINC000675011988 769029945 /nfs/dbraw/zinc/02/99/45/769029945.db2.gz XPMOUBVUTRBVBG-KRWDZBQOSA-N 2 0 331.460 2.188 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000809948299 783548607 /nfs/dbraw/zinc/54/86/07/783548607.db2.gz YWDOMKABBUOART-FXAWDEMLSA-N 2 0 349.494 2.488 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819057944 785379184 /nfs/dbraw/zinc/37/91/84/785379184.db2.gz AEHYQDNDNDNGDN-QAPCUYQASA-N 2 0 339.911 2.237 10 0 EEAERP O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC([NH+]2CCCC2)C1 ZINC000912323374 788115532 /nfs/dbraw/zinc/11/55/32/788115532.db2.gz ZBQDQRFNSHLQKA-IBGZPJMESA-N 2 0 341.499 2.248 10 0 EEAERP C[NH+](C)[C@@H](CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000913281123 788757013 /nfs/dbraw/zinc/75/70/13/788757013.db2.gz LNWOGEMNSSDUQO-YSIASYRMSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711364845 788802492 /nfs/dbraw/zinc/80/24/92/788802492.db2.gz BPOUJGUHAISGJN-RYQLBKOJSA-N 2 0 329.488 2.259 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[N@@H+](C(C)C)CC2)cc(Cl)n1 ZINC000844203093 788923468 /nfs/dbraw/zinc/92/34/68/788923468.db2.gz AFLVMYOREXGJRH-HNNXBMFYSA-N 2 0 338.883 2.376 10 0 EEAERP Cn1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(C2CCCC2)n1 ZINC000921526935 789024432 /nfs/dbraw/zinc/02/44/32/789024432.db2.gz KFNHZFDYIBCDQG-UHFFFAOYSA-N 2 0 333.524 2.195 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cncc(Br)c1)CC2 ZINC000923452380 789584811 /nfs/dbraw/zinc/58/48/11/789584811.db2.gz QKJGSEVAZCWODF-CQSZACIVSA-N 2 0 340.265 2.174 10 0 EEAERP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498926 789681411 /nfs/dbraw/zinc/68/14/11/789681411.db2.gz QWWAQLJHLAZZOU-DOTOQJQBSA-N 2 0 333.476 2.008 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713377548 794596750 /nfs/dbraw/zinc/59/67/50/794596750.db2.gz NMWNUFQQGQHAKG-JKBKZWBZSA-N 2 0 341.499 2.483 10 0 EEAERP C[C@H]1[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000922557088 801304279 /nfs/dbraw/zinc/30/42/79/801304279.db2.gz HKERXGSJCIIWAG-LPHOPBHVSA-N 2 0 330.520 2.399 10 0 EEAERP Cn1nc(Br)nc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847023 802051801 /nfs/dbraw/zinc/05/18/01/802051801.db2.gz TZENJTJYDAZRNE-UHFFFAOYSA-N 2 0 342.285 2.074 10 0 EEAERP C[NH+](C)[C@H]1CCOc2c(NC(=S)NC3CC[NH+](C)CC3)cccc21 ZINC000788347413 807484316 /nfs/dbraw/zinc/48/43/16/807484316.db2.gz YFSUKNRYTGDBPJ-INIZCTEOSA-N 2 0 348.516 2.452 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001566457130 1125617510 /nfs/dbraw/zinc/61/75/10/1125617510.db2.gz ULYMMRVIRJLZBL-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(C[N@H+](C)CCCNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001566508753 1125678299 /nfs/dbraw/zinc/67/82/99/1125678299.db2.gz OGATVVHGLQDZGH-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP Cc1cncc(CN2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C)c1 ZINC001436494374 1087999333 /nfs/dbraw/zinc/99/93/33/1087999333.db2.gz YAKIQVOIFQHCEI-AEFFLSMTSA-N 2 0 346.519 2.447 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC[NH+](C[C@H](OC)C2CCC2)CC1)[NH+](C)C ZINC001436670419 1088110472 /nfs/dbraw/zinc/11/04/72/1088110472.db2.gz WUDWZUMFCGIIET-MSOLQXFVSA-N 2 0 339.524 2.065 10 0 EEAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001436760975 1088281092 /nfs/dbraw/zinc/28/10/92/1088281092.db2.gz USYQUUOPXBFRTN-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2c(C)noc2C)C2CC2)CC[N@@H+]1C ZINC001436794703 1088364241 /nfs/dbraw/zinc/36/42/41/1088364241.db2.gz XWLPNOYLVUCTNB-CGTJXYLNSA-N 2 0 348.491 2.006 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCc2cccs2)C1 ZINC001436835945 1088460010 /nfs/dbraw/zinc/46/00/10/1088460010.db2.gz AFAXWJCUEPOUDW-MRXNPFEDSA-N 2 0 337.533 2.413 10 0 EEAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001436960535 1088650541 /nfs/dbraw/zinc/65/05/41/1088650541.db2.gz WVCZRVZNAGHQKM-SOUVJXGZSA-N 2 0 327.432 2.164 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCc4ccccc43)C2)CC1 ZINC001436968106 1088661230 /nfs/dbraw/zinc/66/12/30/1088661230.db2.gz ZKXAVCXGLZXYHA-JZXOWHBKSA-N 2 0 327.472 2.253 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001437002613 1088764910 /nfs/dbraw/zinc/76/49/10/1088764910.db2.gz LNXCGESYQPHLER-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)s1 ZINC001437009762 1088785723 /nfs/dbraw/zinc/78/57/23/1088785723.db2.gz ZLFWKCVAMAQSEH-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1sccc1Cl ZINC001437240636 1089347566 /nfs/dbraw/zinc/34/75/66/1089347566.db2.gz TZRYRYNGPZOHED-NEPJUHHUSA-N 2 0 329.897 2.338 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001437353097 1089570786 /nfs/dbraw/zinc/57/07/86/1089570786.db2.gz UGQFUKSMJWPJSP-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1F ZINC001437375807 1089621090 /nfs/dbraw/zinc/62/10/90/1089621090.db2.gz OSSPIUBBBQJIEA-WBMJQRKESA-N 2 0 325.403 2.043 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001437385544 1089636212 /nfs/dbraw/zinc/63/62/12/1089636212.db2.gz XXKQKDOFZSLDOX-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(C2CC2)no1 ZINC001437394826 1089650857 /nfs/dbraw/zinc/65/08/57/1089650857.db2.gz BKHJWILADJJSJH-DZKIICNBSA-N 2 0 348.491 2.267 10 0 EEAERP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCc2ccccc21 ZINC001437619400 1090129783 /nfs/dbraw/zinc/12/97/83/1090129783.db2.gz RJNMVYZNCZMYLR-SFHVURJKSA-N 2 0 329.488 2.454 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CCc1c(F)cccc1F ZINC001437646657 1090167977 /nfs/dbraw/zinc/16/79/77/1090167977.db2.gz CLTHVEXKCMWMKK-UHFFFAOYSA-N 2 0 339.430 2.041 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001437659601 1090188882 /nfs/dbraw/zinc/18/88/82/1090188882.db2.gz MJRBTZUSCBUHSQ-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001437914194 1090497075 /nfs/dbraw/zinc/49/70/75/1090497075.db2.gz CHOZHYKUMDHYIC-SOLBZPMBSA-N 2 0 347.478 2.494 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001438005032 1090603485 /nfs/dbraw/zinc/60/34/85/1090603485.db2.gz QAOSIEHMRROJQC-OAHLLOKOSA-N 2 0 327.488 2.247 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3cc(C)no3)CCCC2)CC[N@@H+]1C ZINC001438387146 1090872241 /nfs/dbraw/zinc/87/22/41/1090872241.db2.gz LWMRBOIVBIPTBP-DLBZAZTESA-N 2 0 348.491 2.232 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001438520834 1091012944 /nfs/dbraw/zinc/01/29/44/1091012944.db2.gz NRYVFXATJCQEIA-HOTGVXAUSA-N 2 0 347.503 2.440 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccccn2)CCCC1 ZINC001438595610 1091085638 /nfs/dbraw/zinc/08/56/38/1091085638.db2.gz HXZCOSBWJFOUQB-SFHVURJKSA-N 2 0 344.503 2.475 10 0 EEAERP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001438669657 1091157624 /nfs/dbraw/zinc/15/76/24/1091157624.db2.gz QNEWTVBFWULAKA-LSDHHAIUSA-N 2 0 327.513 2.111 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001438670062 1091159394 /nfs/dbraw/zinc/15/93/94/1091159394.db2.gz QVTILZOCXHUYRO-HKUYNNGSSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001445460639 1091229367 /nfs/dbraw/zinc/22/93/67/1091229367.db2.gz XWEMWOSZOYEVNK-HUUCEWRRSA-N 2 0 331.451 2.248 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1C ZINC001438716240 1091237122 /nfs/dbraw/zinc/23/71/22/1091237122.db2.gz SYSOUEZSMYLWPM-YJBOKZPZSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC001438771344 1091356539 /nfs/dbraw/zinc/35/65/39/1091356539.db2.gz ORXPZLRGNIRUFB-AADQSZMKSA-N 2 0 336.307 2.472 10 0 EEAERP C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438868103 1091505412 /nfs/dbraw/zinc/50/54/12/1091505412.db2.gz YPMVRRNBQUXOPN-YADGSTJUSA-N 2 0 336.307 2.474 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC001439181647 1091830282 /nfs/dbraw/zinc/83/02/82/1091830282.db2.gz GVBLJIXHQNJULB-DYVFJYSZSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC001439213281 1091856546 /nfs/dbraw/zinc/85/65/46/1091856546.db2.gz IMQAZLYCEXBMNN-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]Cc2cnoc2C)C2CC2)C1 ZINC001445964737 1091917470 /nfs/dbraw/zinc/91/74/70/1091917470.db2.gz GCOBGQRTMXFMNG-FUHWJXTLSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001439284382 1091943429 /nfs/dbraw/zinc/94/34/29/1091943429.db2.gz HTYLZDKHDUFJDR-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001439314594 1091984970 /nfs/dbraw/zinc/98/49/70/1091984970.db2.gz RPHSCBLNJRWISJ-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1ocnc1C ZINC001446017663 1092003233 /nfs/dbraw/zinc/00/32/33/1092003233.db2.gz TXGAOBXUFCDKOB-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001446243260 1092359698 /nfs/dbraw/zinc/35/96/98/1092359698.db2.gz SOYGFTAVOLNZJV-NXHRZFHOSA-N 2 0 347.478 2.318 10 0 EEAERP Cc1cc(C)cc(C[NH+]2CC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001439566385 1092447247 /nfs/dbraw/zinc/44/72/47/1092447247.db2.gz BIYAKTCFQBWIKW-MJGOQNOKSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1ccccc1CCC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439580217 1092477358 /nfs/dbraw/zinc/47/73/58/1092477358.db2.gz ZMGDHWVNGPQQQI-QUCCMNQESA-N 2 0 343.515 2.460 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001446329278 1092531634 /nfs/dbraw/zinc/53/16/34/1092531634.db2.gz IPZFEQPZZWNULV-HXUWFJFHSA-N 2 0 329.488 2.453 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC001439666618 1092604759 /nfs/dbraw/zinc/60/47/59/1092604759.db2.gz GTNYHHMNXRQTBR-KRWDZBQOSA-N 2 0 341.499 2.126 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCc2ccccc2F)CC1 ZINC001439676455 1092617500 /nfs/dbraw/zinc/61/75/00/1092617500.db2.gz MEJCLCOUAUEPBP-HZPDHXFCSA-N 2 0 347.478 2.479 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC001439678084 1092619014 /nfs/dbraw/zinc/61/90/14/1092619014.db2.gz QJURXMYJHXTBJR-UHFFFAOYSA-N 2 0 337.895 2.461 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1nc2ccccc2o1 ZINC001439790233 1092748704 /nfs/dbraw/zinc/74/87/04/1092748704.db2.gz ONYQCGSSBAUYSJ-HNNXBMFYSA-N 2 0 344.459 2.250 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001439880695 1092928464 /nfs/dbraw/zinc/92/84/64/1092928464.db2.gz CJBLUFOQINUQIR-WMZOPIPTSA-N 2 0 335.517 2.479 10 0 EEAERP CC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001440219145 1093294790 /nfs/dbraw/zinc/29/47/90/1093294790.db2.gz PLLLNZPDOWSBSG-UHFFFAOYSA-N 2 0 347.503 2.113 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)C[NH+](C[C@@H](C)CC)CCO2 ZINC001448399407 1093402545 /nfs/dbraw/zinc/40/25/45/1093402545.db2.gz WDDFGQZKLFSXMF-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP Cn1cncc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001440315385 1093449680 /nfs/dbraw/zinc/44/96/80/1093449680.db2.gz BXOOXNHRLADSEN-SFFUCWETSA-N 2 0 344.503 2.273 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001440403518 1093591424 /nfs/dbraw/zinc/59/14/24/1093591424.db2.gz VFIBCKZYRLQNDE-PSFOZAIQSA-N 2 0 327.900 2.344 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc2cnoc2C)C2CC2)CC[N@@H+]1C ZINC001448584276 1093640277 /nfs/dbraw/zinc/64/02/77/1093640277.db2.gz PTESLQQUVPWUBQ-RCCFBDPRSA-N 2 0 348.491 2.040 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001448663093 1093731756 /nfs/dbraw/zinc/73/17/56/1093731756.db2.gz PXCFZZDMGPVLJE-HIFRSBDPSA-N 2 0 336.480 2.137 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C2)on1 ZINC001440534607 1093797382 /nfs/dbraw/zinc/79/73/82/1093797382.db2.gz MPJWCGZIKAWCFP-HNNXBMFYSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440594201 1093858813 /nfs/dbraw/zinc/85/88/13/1093858813.db2.gz SYSWGKDVMCQELL-KXBFYZLASA-N 2 0 346.519 2.402 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccncc1Cl ZINC001448780137 1093860829 /nfs/dbraw/zinc/86/08/29/1093860829.db2.gz XWAWWVOTNKJMMR-KGLIPLIRSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1conc1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001440761553 1094002605 /nfs/dbraw/zinc/00/26/05/1094002605.db2.gz QAYKSKNXAMZXJR-UHFFFAOYSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001449046420 1094061803 /nfs/dbraw/zinc/06/18/03/1094061803.db2.gz CNFWVGHSJBHDBA-HUUCEWRRSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440849273 1094107680 /nfs/dbraw/zinc/10/76/80/1094107680.db2.gz BKOHZRBNWZMMJY-ZIAGYGMSSA-N 2 0 338.496 2.429 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001440857224 1094117665 /nfs/dbraw/zinc/11/76/65/1094117665.db2.gz KNDLACADSNIOEP-LSDHHAIUSA-N 2 0 333.476 2.040 10 0 EEAERP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001449255578 1094203742 /nfs/dbraw/zinc/20/37/42/1094203742.db2.gz RFGDEBPIMUOWKB-KRWDZBQOSA-N 2 0 341.540 2.048 10 0 EEAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)CCCC(C)(C)C ZINC001440987857 1094251242 /nfs/dbraw/zinc/25/12/42/1094251242.db2.gz KWSBCDFLUBOSLF-MRXNPFEDSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1cncc(C[NH+]2CCC(C3(NC(=O)CC[NH+](C)C)CC3)CC2)c1 ZINC001449405671 1094387758 /nfs/dbraw/zinc/38/77/58/1094387758.db2.gz XWHBKFFVHSQVPD-UHFFFAOYSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1cccc(CCC[NH+]2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)c1 ZINC001441173097 1094527016 /nfs/dbraw/zinc/52/70/16/1094527016.db2.gz BIUAQLYQQDQTRZ-KRWDZBQOSA-N 2 0 331.504 2.316 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC3CC3)C[C@@H]2C1)C1CCC1 ZINC001441335343 1094808703 /nfs/dbraw/zinc/80/87/03/1094808703.db2.gz GOBZDRUAMGFHFO-OKZBNKHCSA-N 2 0 333.520 2.488 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1F ZINC001441419114 1095006253 /nfs/dbraw/zinc/00/62/53/1095006253.db2.gz PBXYRZILVUXGFP-IEBWSBKVSA-N 2 0 349.494 2.440 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001441599151 1095444902 /nfs/dbraw/zinc/44/49/02/1095444902.db2.gz WGIGADANBIZZPL-ZDUSSCGKSA-N 2 0 338.521 2.262 10 0 EEAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2ncccc2c1 ZINC001441656205 1095618131 /nfs/dbraw/zinc/61/81/31/1095618131.db2.gz JOIJOZVGVQJNMS-INIZCTEOSA-N 2 0 340.471 2.267 10 0 EEAERP CCOC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001441676646 1095653034 /nfs/dbraw/zinc/65/30/34/1095653034.db2.gz OZKMOXYSRIDAHW-LXPRWKDFSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001441846738 1095928912 /nfs/dbraw/zinc/92/89/12/1095928912.db2.gz JDYJTOZQEAYXGV-CRAIPNDOSA-N 2 0 332.492 2.166 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC(F)(F)F)CC2 ZINC001441850140 1095935620 /nfs/dbraw/zinc/93/56/20/1095935620.db2.gz ASFNGTQDXURVJE-ZFWWWQNUSA-N 2 0 335.414 2.392 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)s1 ZINC001441925785 1096110873 /nfs/dbraw/zinc/11/08/73/1096110873.db2.gz ZPRLBMWKTQHWKM-OAHLLOKOSA-N 2 0 338.521 2.038 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC001441933340 1096123211 /nfs/dbraw/zinc/12/32/11/1096123211.db2.gz KUMLEHXCEXRDHY-CABCVRRESA-N 2 0 349.441 2.355 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001442006636 1096208744 /nfs/dbraw/zinc/20/87/44/1096208744.db2.gz HORBUMNWOYCVIW-SJLPKXTDSA-N 2 0 341.499 2.297 10 0 EEAERP CC(C)N(CC[N@H+](C)CC1CCOCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001442114480 1096344293 /nfs/dbraw/zinc/34/42/93/1096344293.db2.gz CBAOWOLIXAWRLV-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001442182352 1096451328 /nfs/dbraw/zinc/45/13/28/1096451328.db2.gz UYJMBVZRRPIHTQ-CVEARBPZSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](Cc2cnccc2C)CC1 ZINC001442204596 1096489602 /nfs/dbraw/zinc/48/96/02/1096489602.db2.gz ORTYCKMGBNVOBN-QGZVFWFLSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001442291250 1096605862 /nfs/dbraw/zinc/60/58/62/1096605862.db2.gz QSSHDWXGDDBCJY-KGLIPLIRSA-N 2 0 331.451 2.248 10 0 EEAERP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001442559246 1096922828 /nfs/dbraw/zinc/92/28/28/1096922828.db2.gz IOTXFMZHARPIKZ-IBGZPJMESA-N 2 0 347.503 2.297 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001442914199 1097322072 /nfs/dbraw/zinc/32/20/72/1097322072.db2.gz QIYIIPGKWDZIAA-BEFAXECRSA-N 2 0 345.462 2.347 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001443270159 1097752212 /nfs/dbraw/zinc/75/22/12/1097752212.db2.gz LZPCBVCWSPGNQZ-FUHWJXTLSA-N 2 0 347.478 2.148 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCC1CCOCC1 ZINC001443940100 1098459993 /nfs/dbraw/zinc/45/99/93/1098459993.db2.gz PNXYQRTXLBYDKD-FGTMMUONSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001444032309 1098552018 /nfs/dbraw/zinc/55/20/18/1098552018.db2.gz JAGWKUKOWONIRY-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001444144238 1098683812 /nfs/dbraw/zinc/68/38/12/1098683812.db2.gz VOAHHKTVHBPFAB-DNVCBOLYSA-N 2 0 333.451 2.152 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001479677052 1098729128 /nfs/dbraw/zinc/72/91/28/1098729128.db2.gz YYDYJXPBYZVAAM-MJGOQNOKSA-N 2 0 347.503 2.249 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001479677053 1098730627 /nfs/dbraw/zinc/73/06/27/1098730627.db2.gz YYDYJXPBYZVAAM-PKOBYXMFSA-N 2 0 347.503 2.249 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)cc1 ZINC001479729880 1098829572 /nfs/dbraw/zinc/82/95/72/1098829572.db2.gz MUGNQRXWYBAXFK-QAPCUYQASA-N 2 0 333.476 2.114 10 0 EEAERP COCc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001444326999 1098891923 /nfs/dbraw/zinc/89/19/23/1098891923.db2.gz QZAAXIDPMOYVBI-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(F)cn1 ZINC001479777920 1098958433 /nfs/dbraw/zinc/95/84/33/1098958433.db2.gz HHZTVUPXTYKJJL-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)cc1F ZINC001444388598 1098977902 /nfs/dbraw/zinc/97/79/02/1098977902.db2.gz SFXLTTJAGLQDGW-LBPRGKRZSA-N 2 0 329.847 2.273 10 0 EEAERP CC[N@H+](CCCNC(=O)c1ccn2c(C)cnc2c1)C[C@H](C)OC ZINC001479844109 1099135324 /nfs/dbraw/zinc/13/53/24/1099135324.db2.gz YPZACXMVQIZZBS-HNNXBMFYSA-N 2 0 332.448 2.119 10 0 EEAERP Cc1ccncc1C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085848 1099640455 /nfs/dbraw/zinc/64/04/55/1099640455.db2.gz VDMUKDDBWYBKIP-QGZVFWFLSA-N 2 0 332.492 2.012 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444774946 1099676561 /nfs/dbraw/zinc/67/65/61/1099676561.db2.gz NTCFWUYHJPBTHB-RBSFLKMASA-N 2 0 338.521 2.104 10 0 EEAERP COCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480117763 1099682075 /nfs/dbraw/zinc/68/20/75/1099682075.db2.gz AGGLBSKYQCKNEB-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)co1 ZINC001444820938 1099757363 /nfs/dbraw/zinc/75/73/63/1099757363.db2.gz RALNRPVKHMWFGV-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH]cn3)C2)n1 ZINC001480207967 1099813202 /nfs/dbraw/zinc/81/32/02/1099813202.db2.gz PXWWPIVWOZKOBE-CALCHBBNSA-N 2 0 341.459 2.298 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1C)C(C)C ZINC001444938144 1100047405 /nfs/dbraw/zinc/04/74/05/1100047405.db2.gz JPOIMTHRQBOLTN-RBUKOAKNSA-N 2 0 346.519 2.495 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1C)C(C)C ZINC001444938141 1100047904 /nfs/dbraw/zinc/04/79/04/1100047904.db2.gz JPOIMTHRQBOLTN-OALUTQOASA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)C[C@H]1CC(C)(C)CO1 ZINC001444980747 1100106305 /nfs/dbraw/zinc/10/63/05/1100106305.db2.gz UJHRFEQIAOBNAA-IAGOWNOFSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001480388245 1100190393 /nfs/dbraw/zinc/19/03/93/1100190393.db2.gz WQMYHWPAGVWUKC-DOTOQJQBSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001480493763 1100306890 /nfs/dbraw/zinc/30/68/90/1100306890.db2.gz ZQETXCMGDVRQTR-RDTXWAMCSA-N 2 0 348.491 2.267 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001445111983 1100351631 /nfs/dbraw/zinc/35/16/31/1100351631.db2.gz IMKOEIXRTFOJRN-RDJZCZTQSA-N 2 0 348.466 2.080 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]C/C=C/Cl ZINC001480541275 1100371188 /nfs/dbraw/zinc/37/11/88/1100371188.db2.gz VLVJEILWVIKMHR-JGZUDHAESA-N 2 0 335.879 2.179 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229279 1100786681 /nfs/dbraw/zinc/78/66/81/1100786681.db2.gz HEQMIHLYCQGCSI-QAPCUYQASA-N 2 0 346.519 2.402 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@@H]2CC(C)(C)CO2)CCCC1 ZINC001495200126 1100880551 /nfs/dbraw/zinc/88/05/51/1100880551.db2.gz PRETXHCVEDDKCH-INIZCTEOSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001496298090 1100884925 /nfs/dbraw/zinc/88/49/25/1100884925.db2.gz YLRNWFOJQXYCPT-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001496298789 1100885840 /nfs/dbraw/zinc/88/58/40/1100885840.db2.gz CJLREAVEHMUOGS-CYBMUJFWSA-N 2 0 335.414 2.155 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccccc1F)C1CC1 ZINC001495232757 1100922797 /nfs/dbraw/zinc/92/27/97/1100922797.db2.gz JOGBQIULQHYXFY-PKOBYXMFSA-N 2 0 333.451 2.294 10 0 EEAERP Cc1ncsc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001496375226 1100967670 /nfs/dbraw/zinc/96/76/70/1100967670.db2.gz LBBQMHLSTOGKLF-DZGCQCFKSA-N 2 0 338.521 2.118 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446570367 1101055328 /nfs/dbraw/zinc/05/53/28/1101055328.db2.gz LFKUDGGLACETDH-AZUAARDMSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001495381184 1101100824 /nfs/dbraw/zinc/10/08/24/1101100824.db2.gz SWYURTWAOBDZEI-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001446614520 1101118081 /nfs/dbraw/zinc/11/80/81/1101118081.db2.gz QSMNMVIJGZQIIQ-JXFKEZNVSA-N 2 0 344.503 2.060 10 0 EEAERP COCCC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001495424041 1101142584 /nfs/dbraw/zinc/14/25/84/1101142584.db2.gz VTZRHCSXHIQDPO-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cnccc1C)C(C)C ZINC001496642365 1101246964 /nfs/dbraw/zinc/24/69/64/1101246964.db2.gz OGTLXNOYEMNZNA-MOPGFXCFSA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc2csc(C)n2)CC[N@@H+]1C ZINC001495668980 1101411183 /nfs/dbraw/zinc/41/11/83/1101411183.db2.gz POJPINHHGJQECQ-VBNZEHGJSA-N 2 0 338.521 2.024 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001446942451 1101631670 /nfs/dbraw/zinc/63/16/70/1101631670.db2.gz LIJIYASPJGYYLR-NVXWUHKLSA-N 2 0 335.467 2.493 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001496923366 1101725163 /nfs/dbraw/zinc/72/51/63/1101725163.db2.gz MXBCTOVBVLSUIU-GDBMZVCRSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)sc1C ZINC001495939536 1101793214 /nfs/dbraw/zinc/79/32/14/1101793214.db2.gz KGYXDDPWDZVGJU-UHFFFAOYSA-N 2 0 338.521 2.230 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC001447034092 1101793774 /nfs/dbraw/zinc/79/37/74/1101793774.db2.gz CRAPQLCUWNGYID-HZPDHXFCSA-N 2 0 343.462 2.439 10 0 EEAERP C[N@@H+](Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1)CC1CC1 ZINC001447085406 1101960756 /nfs/dbraw/zinc/96/07/56/1101960756.db2.gz UHQQZKQSFFZCDQ-QGZVFWFLSA-N 2 0 329.488 2.486 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497187543 1102094072 /nfs/dbraw/zinc/09/40/72/1102094072.db2.gz CRLXRWOCZQJZCA-DNVCBOLYSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497187545 1102095024 /nfs/dbraw/zinc/09/50/24/1102095024.db2.gz CRLXRWOCZQJZCA-KXBFYZLASA-N 2 0 347.478 2.460 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)N(C)C(=O)CC[NH+](C)C ZINC001496150436 1102140879 /nfs/dbraw/zinc/14/08/79/1102140879.db2.gz QQGDGENYYYWWFP-LBPRGKRZSA-N 2 0 329.847 2.367 10 0 EEAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001496153338 1102145276 /nfs/dbraw/zinc/14/52/76/1102145276.db2.gz HIJNIVZFWMLBKQ-RDTXWAMCSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497275381 1102238068 /nfs/dbraw/zinc/23/80/68/1102238068.db2.gz HLKRJADKDQYLDF-NVXWUHKLSA-N 2 0 336.480 2.230 10 0 EEAERP CCN(CC[NH2+]CCCC1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497439474 1102491343 /nfs/dbraw/zinc/49/13/43/1102491343.db2.gz QMSAWDBQDOYASH-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497500839 1102588545 /nfs/dbraw/zinc/58/85/45/1102588545.db2.gz LUHVNSVNVAFGHE-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001497580814 1102694781 /nfs/dbraw/zinc/69/47/81/1102694781.db2.gz YIRFJTZUESUCAP-WRFKIARRSA-N 2 0 330.476 2.025 10 0 EEAERP COc1cccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1C ZINC001497677810 1102888049 /nfs/dbraw/zinc/88/80/49/1102888049.db2.gz AVXZDSGCZKNZSU-AWFCHZOYSA-N 2 0 345.487 2.107 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497691223 1102911776 /nfs/dbraw/zinc/91/17/76/1102911776.db2.gz KOXMAUZSCYPFMM-OOFWQKGWSA-N 2 0 344.503 2.417 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C)C2)C(C)C)sn1 ZINC001493877116 1103012685 /nfs/dbraw/zinc/01/26/85/1103012685.db2.gz NGFKGGBDPDRHPR-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497837572 1103169074 /nfs/dbraw/zinc/16/90/74/1103169074.db2.gz OXJMWZVLAYDWIF-MLGOLLRUSA-N 2 0 325.403 2.043 10 0 EEAERP CC(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001447750874 1103232481 /nfs/dbraw/zinc/23/24/81/1103232481.db2.gz UUPNJMMBOMQOQH-CEXWTWQISA-N 2 0 329.488 2.499 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001494032130 1103393454 /nfs/dbraw/zinc/39/34/54/1103393454.db2.gz UKRNAENVYHIBBV-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497963540 1103425457 /nfs/dbraw/zinc/42/54/57/1103425457.db2.gz YAHKQXNGKWJLPN-MSOLQXFVSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001494078175 1103483989 /nfs/dbraw/zinc/48/39/89/1103483989.db2.gz GSBLPJYHFLZONT-WBVHZDCISA-N 2 0 335.517 2.336 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001447874846 1103492054 /nfs/dbraw/zinc/49/20/54/1103492054.db2.gz UISOQVAPLQTSLE-GJZGRUSLSA-N 2 0 335.467 2.335 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447901630 1103554132 /nfs/dbraw/zinc/55/41/32/1103554132.db2.gz MCEXOMWVEKDWNZ-JKSUJKDBSA-N 2 0 347.503 2.328 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1cc(F)cc(F)c1 ZINC001448097230 1103995662 /nfs/dbraw/zinc/99/56/62/1103995662.db2.gz NXUXJTNACNQVMN-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(COC)c1 ZINC001497994264 1106754208 /nfs/dbraw/zinc/75/42/08/1106754208.db2.gz YZOHMQSFZIYBRT-VQIMIIECSA-N 2 0 347.503 2.302 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccnc2C)C1)[NH+](CC)CC ZINC001480664247 1106843046 /nfs/dbraw/zinc/84/30/46/1106843046.db2.gz WSWJHNBNDOWVQP-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001480706247 1106924351 /nfs/dbraw/zinc/92/43/51/1106924351.db2.gz AXAFPJDHSLXISB-HUUCEWRRSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001498118666 1106944749 /nfs/dbraw/zinc/94/47/49/1106944749.db2.gz VSBZTXJKNXIDEV-CABCVRRESA-N 2 0 337.895 2.319 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480769950 1107081160 /nfs/dbraw/zinc/08/11/60/1107081160.db2.gz ICNJBVVWEOBJLI-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001480813862 1107164226 /nfs/dbraw/zinc/16/42/26/1107164226.db2.gz NBGWMYJPFXXXOH-WBVHZDCISA-N 2 0 336.480 2.170 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001498416857 1107485852 /nfs/dbraw/zinc/48/58/52/1107485852.db2.gz BFQAJAYBFUFWTR-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP C[C@H](F)CC[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001493392622 1108058819 /nfs/dbraw/zinc/05/88/19/1108058819.db2.gz SKYFILVCNUGQTK-AWEZNQCLSA-N 2 0 345.422 2.210 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCc2cccs2)C2CC2)CC1 ZINC001498815861 1108156766 /nfs/dbraw/zinc/15/67/66/1108156766.db2.gz DKFCWCWLXXJBMH-QGZVFWFLSA-N 2 0 335.517 2.117 10 0 EEAERP CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3ccncc3)c2C)C(C)(C)C1 ZINC001456230509 1109117135 /nfs/dbraw/zinc/11/71/35/1109117135.db2.gz NYZNUZVGJUHDNC-MRXNPFEDSA-N 2 0 327.432 2.036 10 0 EEAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001457104726 1109461195 /nfs/dbraw/zinc/46/11/95/1109461195.db2.gz WOORGYPJFMEHRY-RBUKOAKNSA-N 2 0 344.503 2.478 10 0 EEAERP CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001457415464 1109591300 /nfs/dbraw/zinc/59/13/00/1109591300.db2.gz QODOTPTVWZWSHJ-LJQANCHMSA-N 2 0 329.488 2.451 10 0 EEAERP CCN(CCC(F)(F)F)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC001470774144 1110512208 /nfs/dbraw/zinc/51/22/08/1110512208.db2.gz WSEMHOAODHVLSM-ZDUSSCGKSA-N 2 0 340.434 2.242 10 0 EEAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001479223913 1110662309 /nfs/dbraw/zinc/66/23/09/1110662309.db2.gz FTVICJXIBZVICU-ADDHZHGLSA-N 2 0 330.476 2.335 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001479301157 1110677916 /nfs/dbraw/zinc/67/79/16/1110677916.db2.gz CRNIJDZHBYQFPY-IXDOHACOSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1ccc(F)cc1 ZINC001499227881 1112188563 /nfs/dbraw/zinc/18/85/63/1112188563.db2.gz APYGSMUFUAJHFH-KSSFIOAISA-N 2 0 345.462 2.467 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2([NH2+]CCC3CC3)CC2)C1 ZINC001499352802 1112246290 /nfs/dbraw/zinc/24/62/90/1112246290.db2.gz SPSMXXDZGWAHEY-SFHVURJKSA-N 2 0 325.472 2.237 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH+](CCCF)C1 ZINC001499482547 1112314656 /nfs/dbraw/zinc/31/46/56/1112314656.db2.gz WESMDGUZYKMBAU-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CCCCC[NH+]1CCC2(CO[C@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001500019154 1112581484 /nfs/dbraw/zinc/58/14/84/1112581484.db2.gz YAQFAHPDVUHYSW-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1oncc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001500111930 1112622438 /nfs/dbraw/zinc/62/24/38/1112622438.db2.gz RNKZUQDIJAVCNB-KSSFIOAISA-N 2 0 348.491 2.089 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(C)CCC[NH+](Cc3cccnc3)C2)C1 ZINC001500546772 1112937584 /nfs/dbraw/zinc/93/75/84/1112937584.db2.gz HEPVNTTXKCRMNG-YLJYHZDGSA-N 2 0 344.503 2.142 10 0 EEAERP CC1CC(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501395554 1113340935 /nfs/dbraw/zinc/34/09/35/1113340935.db2.gz NWXOGUJDGUFNLG-OPQOLIRYSA-N 2 0 333.520 2.440 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2)CC1 ZINC001501710808 1113445379 /nfs/dbraw/zinc/44/53/79/1113445379.db2.gz QHIIPIKRMFVOOQ-WGSAOQKQSA-N 2 0 331.504 2.445 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1conc1C)CC2 ZINC001501746308 1113460270 /nfs/dbraw/zinc/46/02/70/1113460270.db2.gz DPRBHSAQYGNOKU-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1COC2(C[NH+](CCC(C)(C)C)C2)C1 ZINC001502471085 1113697174 /nfs/dbraw/zinc/69/71/74/1113697174.db2.gz XEZHGBQVCDVMRR-INIZCTEOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC001502839366 1113831315 /nfs/dbraw/zinc/83/13/15/1113831315.db2.gz WWNIFTFBRKLXKF-QGZVFWFLSA-N 2 0 332.492 2.139 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001505452978 1113986774 /nfs/dbraw/zinc/98/67/74/1113986774.db2.gz ROFQBXOQADMNNM-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505606620 1114082041 /nfs/dbraw/zinc/08/20/41/1114082041.db2.gz UXWBJQPOGPLGQM-HZPDHXFCSA-N 2 0 327.513 2.159 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)on1 ZINC001505760047 1114174278 /nfs/dbraw/zinc/17/42/78/1114174278.db2.gz FSVFDLBUISOJLA-GJZGRUSLSA-N 2 0 344.459 2.341 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCc1cccs1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001505828153 1114218368 /nfs/dbraw/zinc/21/83/68/1114218368.db2.gz JILCCAZPGYTDRT-MRXNPFEDSA-N 2 0 337.533 2.459 10 0 EEAERP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C)cc1C ZINC001505886710 1114254985 /nfs/dbraw/zinc/25/49/85/1114254985.db2.gz KTENVXXWAVCXRN-WBVHZDCISA-N 2 0 333.476 2.034 10 0 EEAERP Cc1cncc(C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001505976462 1114315103 /nfs/dbraw/zinc/31/51/03/1114315103.db2.gz MLKBDXCFNYRTPJ-MRXNPFEDSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cnc(C[NH2+]CC2(NC(=O)Cc3c[nH]cn3)CCCCC2)s1 ZINC001506521292 1114670625 /nfs/dbraw/zinc/67/06/25/1114670625.db2.gz MLSOOHLNSIYRET-UHFFFAOYSA-N 2 0 347.488 2.326 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)CC1(C)C ZINC001506748929 1114862744 /nfs/dbraw/zinc/86/27/44/1114862744.db2.gz AYJFUGZLMYAFFY-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2cccc(OC)c2)CC1(C)C ZINC001506749495 1114862792 /nfs/dbraw/zinc/86/27/92/1114862792.db2.gz FWCOVUJVXHFBQV-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4=CCCCC4)C[C@H]32)C1 ZINC001506809050 1114889386 /nfs/dbraw/zinc/88/93/86/1114889386.db2.gz GEHLUWVTEBVALH-OWYHZJEWSA-N 2 0 331.504 2.123 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001506848033 1114911032 /nfs/dbraw/zinc/91/10/32/1114911032.db2.gz VEWYWWKINKVIKH-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001506853899 1114917731 /nfs/dbraw/zinc/91/77/31/1114917731.db2.gz MECARFVJTHWLFM-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001507003298 1115046270 /nfs/dbraw/zinc/04/62/70/1115046270.db2.gz SZUBMEAYOFIYCF-ZWKOTPCHSA-N 2 0 333.451 2.247 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@H](C[NH2+]CC2CCC2)C(C)(C)C)CC1 ZINC001508033343 1115395951 /nfs/dbraw/zinc/39/59/51/1115395951.db2.gz ZDFGMJFYCDTUJT-QGZVFWFLSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001568098398 1124301855 /nfs/dbraw/zinc/30/18/55/1124301855.db2.gz UNSILCADEOXDLB-UHFFFAOYSA-N 2 0 338.521 2.202 10 0 EEAERP CCCCCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001568227857 1124373211 /nfs/dbraw/zinc/37/32/11/1124373211.db2.gz JDWDHQSULAUARV-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]C/C=C\Cl)C1 ZINC001568397185 1124467041 /nfs/dbraw/zinc/46/70/41/1124467041.db2.gz UZPXEEBPTTWNNK-COXDATCZSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568646540 1124658011 /nfs/dbraw/zinc/65/80/11/1124658011.db2.gz QRVUDZMMVBTAEM-QFBILLFUSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccnc1)[NH+]1CCCCCC1 ZINC001568927982 1124957721 /nfs/dbraw/zinc/95/77/21/1124957721.db2.gz FVBWREOAPXCZJN-LAQIPUCWSA-N 2 0 330.476 2.108 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001568952053 1124986687 /nfs/dbraw/zinc/98/66/87/1124986687.db2.gz YAQCVPGDCBFCEH-OGZRUICASA-N 2 0 338.883 2.083 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001569257623 1125199628 /nfs/dbraw/zinc/19/96/28/1125199628.db2.gz JWZOGCKFRNQWJO-HOTGVXAUSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001565857020 1125437061 /nfs/dbraw/zinc/43/70/61/1125437061.db2.gz XWGQYIRGSVJYIK-IXDOHACOSA-N 2 0 327.488 2.341 10 0 EEAERP CC[NH+]1CCC(N(C)c2ncc(Br)cc2C[NH2+]C)CC1 ZINC000051489669 214095040 /nfs/dbraw/zinc/09/50/40/214095040.db2.gz NQNNYTQESMAONH-UHFFFAOYSA-N 2 0 341.297 2.484 10 0 EEAERP CN(CC[NH2+]CCC[NH+](C)C)Cc1csc(Br)c1 ZINC000053441088 214182332 /nfs/dbraw/zinc/18/23/32/214182332.db2.gz MPYAMBKKYZQKMY-UHFFFAOYSA-N 2 0 334.327 2.484 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000176584097 282257348 /nfs/dbraw/zinc/25/73/48/282257348.db2.gz LWZHFRIHNJUVPI-MSOLQXFVSA-N 2 0 336.524 2.377 10 0 EEAERP CC[NH+]1CCC(Nc2nccnc2NC2CC[NH+](CC)CC2)CC1 ZINC000165174761 539542120 /nfs/dbraw/zinc/54/21/20/539542120.db2.gz UUUKWUVQQFGPCI-UHFFFAOYSA-N 2 0 332.496 2.269 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000069349905 215384126 /nfs/dbraw/zinc/38/41/26/215384126.db2.gz VOHAVAFVSXTLDX-INIZCTEOSA-N 2 0 328.460 2.055 10 0 EEAERP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000130204478 291135565 /nfs/dbraw/zinc/13/55/65/291135565.db2.gz JAGXIQWGMGNDON-RDJZCZTQSA-N 2 0 334.508 2.129 10 0 EEAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415933166 239008378 /nfs/dbraw/zinc/00/83/78/239008378.db2.gz FJRZMUHUSSOIRI-GJZGRUSLSA-N 2 0 334.464 2.409 10 0 EEAERP CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000422710270 240186449 /nfs/dbraw/zinc/18/64/49/240186449.db2.gz FNZOUKYLDNNWGS-LSDHHAIUSA-N 2 0 333.476 2.405 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422731306 240198670 /nfs/dbraw/zinc/19/86/70/240198670.db2.gz NLNBDNWAGFZLPE-KFKAGJAMSA-N 2 0 331.504 2.472 10 0 EEAERP NC(=[NH2+])[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000079838613 217257443 /nfs/dbraw/zinc/25/74/43/217257443.db2.gz HKULUHVEVMTJCO-NSHDSACASA-N 2 0 326.238 2.476 10 0 EEAERP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000363291527 295640230 /nfs/dbraw/zinc/64/02/30/295640230.db2.gz CMXBHOLPVKYKPD-SFHVURJKSA-N 2 0 334.508 2.298 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000358234346 285386653 /nfs/dbraw/zinc/38/66/53/285386653.db2.gz LEFARFTWCVYQQZ-IRXDYDNUSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000054764265 292140312 /nfs/dbraw/zinc/14/03/12/292140312.db2.gz WLJAWOCPVHZOQY-KRWDZBQOSA-N 2 0 332.492 2.292 10 0 EEAERP C[NH+](C)CCC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119088318 292240740 /nfs/dbraw/zinc/24/07/40/292240740.db2.gz QCUUCRZOQMUROL-UHFFFAOYSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000173851972 152201813 /nfs/dbraw/zinc/20/18/13/152201813.db2.gz JANZPXLQEUHDRE-KSZLIROESA-N 2 0 334.508 2.010 10 0 EEAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000249136806 160374997 /nfs/dbraw/zinc/37/49/97/160374997.db2.gz VOGXUQSEDSHZSZ-GGPKGHCWSA-N 2 0 337.552 2.418 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1)[C@@H]1CCC[NH2+]1 ZINC000261800017 160417976 /nfs/dbraw/zinc/41/79/76/160417976.db2.gz ZUSXVCNXZMNWIR-JYJNAYRXSA-N 2 0 343.462 2.392 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000261864806 160422759 /nfs/dbraw/zinc/42/27/59/160422759.db2.gz RQUCRWIKPCHKFD-RYQLBKOJSA-N 2 0 330.476 2.070 10 0 EEAERP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000245900108 160256154 /nfs/dbraw/zinc/25/61/54/160256154.db2.gz TXJUCFVOKNXBNW-KBAYOESNSA-N 2 0 332.492 2.139 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000342782164 161090501 /nfs/dbraw/zinc/09/05/01/161090501.db2.gz PINKBAMXULNZKH-UHFFFAOYSA-N 2 0 338.455 2.100 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000343545453 161145521 /nfs/dbraw/zinc/14/55/21/161145521.db2.gz SYUXKBWHYFIORF-FQEVSTJZSA-N 2 0 327.472 2.054 10 0 EEAERP CN(C(=O)C[NH+](C)[C@H]1CCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343844111 161173719 /nfs/dbraw/zinc/17/37/19/161173719.db2.gz FCDYUZIUPIFYHM-MSOLQXFVSA-N 2 0 347.528 2.157 10 0 EEAERP CC[NH+](CC)CCSCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000345502213 161306528 /nfs/dbraw/zinc/30/65/28/161306528.db2.gz HFVQHJJKHHHVAJ-HOTGVXAUSA-N 2 0 329.554 2.441 10 0 EEAERP CC(C)(C)[C@@H](O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357454 275111227 /nfs/dbraw/zinc/11/12/27/275111227.db2.gz GWAGGAKLBXQQPN-PMACEKPBSA-N 2 0 345.531 2.286 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000292114100 275378303 /nfs/dbraw/zinc/37/83/03/275378303.db2.gz KDKCAPNWJVBYCO-VQIMIIECSA-N 2 0 329.488 2.498 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000292114087 275378345 /nfs/dbraw/zinc/37/83/45/275378345.db2.gz KDKCAPNWJVBYCO-APWZRJJASA-N 2 0 329.488 2.498 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000248083728 277165788 /nfs/dbraw/zinc/16/57/88/277165788.db2.gz SINNZLGFFFVCLJ-FHWLQOOXSA-N 2 0 342.487 2.312 10 0 EEAERP C[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000375667873 278202276 /nfs/dbraw/zinc/20/22/76/278202276.db2.gz AGIWTNKANJMXRX-WWDZGPRUSA-N 2 0 336.524 2.423 10 0 EEAERP COc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc2c1OCCO2 ZINC000297622473 294299134 /nfs/dbraw/zinc/29/91/34/294299134.db2.gz VYTFXGLZFACZEI-UHFFFAOYSA-N 2 0 325.368 2.404 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113576 297283685 /nfs/dbraw/zinc/28/36/85/297283685.db2.gz FNGUFRYWRRLQHO-IAGOWNOFSA-N 2 0 331.508 2.429 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000333782652 312196555 /nfs/dbraw/zinc/19/65/55/312196555.db2.gz LBXRMUBTAPUNOB-QQXKLLMISA-N 2 0 342.487 2.119 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000416845930 313334493 /nfs/dbraw/zinc/33/44/93/313334493.db2.gz SMFVYQFFCPTSME-JLSDUUJJSA-N 2 0 332.492 2.149 10 0 EEAERP [NH3+]C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000416891867 313351580 /nfs/dbraw/zinc/35/15/80/313351580.db2.gz AARKLQBSTIUMCI-SFHVURJKSA-N 2 0 330.476 2.209 10 0 EEAERP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417008036 313392400 /nfs/dbraw/zinc/39/24/00/313392400.db2.gz IBKQPHXPLFDEBE-VFSICIBPSA-N 2 0 336.505 2.275 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccco1 ZINC000417314203 313481321 /nfs/dbraw/zinc/48/13/21/313481321.db2.gz QVWFKKNOJLWEEN-HRCADAONSA-N 2 0 334.464 2.056 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417524920 313533014 /nfs/dbraw/zinc/53/30/14/313533014.db2.gz ACXKGRFWLFOJSX-JFIYKMOQSA-N 2 0 336.524 2.280 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418658812 313873926 /nfs/dbraw/zinc/87/39/26/313873926.db2.gz WLUYGJBPKKOXIW-ONYGOOLBSA-N 2 0 330.476 2.173 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000544183934 318181926 /nfs/dbraw/zinc/18/19/26/318181926.db2.gz MXEICRHDXFDPMM-KRWDZBQOSA-N 2 0 334.427 2.321 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000563559242 319023400 /nfs/dbraw/zinc/02/34/00/319023400.db2.gz OLIBHNLETLIBEU-MAUKXSAKSA-N 2 0 330.476 2.080 10 0 EEAERP CN(C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563727633 319040367 /nfs/dbraw/zinc/04/03/67/319040367.db2.gz WAFFXRWGAXNCHS-MJGOQNOKSA-N 2 0 327.472 2.204 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CC/C=C/c2cncc(OC)c2)CC1 ZINC000564905106 319125661 /nfs/dbraw/zinc/12/56/61/319125661.db2.gz HCPKJCTVXHDIQH-SOFGYWHQSA-N 2 0 346.519 2.499 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccc(F)cc1C ZINC000564988502 319135910 /nfs/dbraw/zinc/13/59/10/319135910.db2.gz ANLHLNCGOKTWKA-RYQLBKOJSA-N 2 0 335.467 2.288 10 0 EEAERP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000566088739 319242959 /nfs/dbraw/zinc/24/29/59/319242959.db2.gz FFZOSCXPJBWLFQ-PQEBFOHHSA-N 2 0 334.485 2.068 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000573580834 319948269 /nfs/dbraw/zinc/94/82/69/319948269.db2.gz AVVSAKIZGYOHAX-KBAYOESNSA-N 2 0 330.476 2.121 10 0 EEAERP CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000574762897 320054937 /nfs/dbraw/zinc/05/49/37/320054937.db2.gz AHRPEOALOYLLMU-MOPGFXCFSA-N 2 0 330.472 2.084 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000575780089 320113958 /nfs/dbraw/zinc/11/39/58/320113958.db2.gz UZQMMNBWOASAIJ-QFBILLFUSA-N 2 0 336.524 2.282 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000578130301 320296233 /nfs/dbraw/zinc/29/62/33/320296233.db2.gz BRDFPGGFGYJIPU-KRWDZBQOSA-N 2 0 330.476 2.306 10 0 EEAERP C[C@]1(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000581933272 324343864 /nfs/dbraw/zinc/34/38/64/324343864.db2.gz GEWHVMGSWXXOON-CMKODMSKSA-N 2 0 344.503 2.468 10 0 EEAERP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000327499079 465052366 /nfs/dbraw/zinc/05/23/66/465052366.db2.gz QAIZUPATLXQMSV-UHFFFAOYSA-N 2 0 344.503 2.361 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000341436740 465165775 /nfs/dbraw/zinc/16/57/75/465165775.db2.gz WIMPBFDSFSOVJF-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccsc1 ZINC000337453828 465378992 /nfs/dbraw/zinc/37/89/92/465378992.db2.gz JDCHOTWRISPPTO-OAHLLOKOSA-N 2 0 339.505 2.001 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000062646988 462622081 /nfs/dbraw/zinc/62/20/81/462622081.db2.gz DNTXGFJDLUTEDN-OALUTQOASA-N 2 0 344.503 2.435 10 0 EEAERP CC1CC[NH+](CCN(C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000153810462 462695085 /nfs/dbraw/zinc/69/50/85/462695085.db2.gz KFUJUJRBLPEJIE-UHFFFAOYSA-N 2 0 333.524 2.011 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000134150550 463009144 /nfs/dbraw/zinc/00/91/44/463009144.db2.gz IKPVRJXNQMIWGV-KRWDZBQOSA-N 2 0 336.524 2.234 10 0 EEAERP CC[C@@H]1CN(Cc2cnc(C)n2-c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000120724209 463031563 /nfs/dbraw/zinc/03/15/63/463031563.db2.gz OLFZRQXBFVWVBK-SJLPKXTDSA-N 2 0 342.487 2.458 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CCO[C@@H](C)C2)CC1 ZINC000568472972 468340847 /nfs/dbraw/zinc/34/08/47/468340847.db2.gz FIFVLNQNKWKJFJ-OALUTQOASA-N 2 0 345.531 2.392 10 0 EEAERP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875933 463484061 /nfs/dbraw/zinc/48/40/61/463484061.db2.gz YMYVULJAHFEECO-QGZVFWFLSA-N 2 0 332.492 2.466 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000057847366 463523920 /nfs/dbraw/zinc/52/39/20/463523920.db2.gz ZXTUVNHCDNBZGS-UHFFFAOYSA-N 2 0 328.460 2.248 10 0 EEAERP COc1ccc(CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000109752280 463648261 /nfs/dbraw/zinc/64/82/61/463648261.db2.gz VHYGDBHFJLNNSK-LJQANCHMSA-N 2 0 331.504 2.340 10 0 EEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194177477 463809844 /nfs/dbraw/zinc/80/98/44/463809844.db2.gz OQPLVJHPQKDAIK-QGZVFWFLSA-N 2 0 326.529 2.480 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)CN1CCOCC1 ZINC000269029851 463849792 /nfs/dbraw/zinc/84/97/92/463849792.db2.gz RYHVAICBLUKWPJ-SFHLNBCPSA-N 2 0 345.531 2.455 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271170 463966155 /nfs/dbraw/zinc/96/61/55/463966155.db2.gz BIJGGXVLPACJTF-OALUTQOASA-N 2 0 344.503 2.243 10 0 EEAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000179190594 464077064 /nfs/dbraw/zinc/07/70/64/464077064.db2.gz ONLGBWCVEWADPN-BHIYHBOVSA-N 2 0 344.503 2.463 10 0 EEAERP CN1CCN([C@@H]2CCCC[N@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000174886331 464463292 /nfs/dbraw/zinc/46/32/92/464463292.db2.gz DENOPEFLCAOQDP-LJQANCHMSA-N 2 0 344.503 2.117 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000245959297 464531257 /nfs/dbraw/zinc/53/12/57/464531257.db2.gz XVOFBQZEOFFMIA-LMMKCTJWSA-N 2 0 344.503 2.385 10 0 EEAERP CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285397693 464548948 /nfs/dbraw/zinc/54/89/48/464548948.db2.gz CIRDMDLEVJAISS-HXUWFJFHSA-N 2 0 329.488 2.499 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000246295034 464568319 /nfs/dbraw/zinc/56/83/19/464568319.db2.gz PEXIUJZPJQHJEB-BFWZDYSYSA-N 2 0 338.540 2.479 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246455278 464587047 /nfs/dbraw/zinc/58/70/47/464587047.db2.gz OUHTXYLBXSBXHY-OWSLCNJRSA-N 2 0 338.540 2.479 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000247535152 464691779 /nfs/dbraw/zinc/69/17/79/464691779.db2.gz XWUBITPKQIRPLQ-KBAYOESNSA-N 2 0 330.476 2.167 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC2CCCC2)(N2CCCCC2)CC1 ZINC000579827057 468419229 /nfs/dbraw/zinc/41/92/29/468419229.db2.gz FOTHJUYPGPRCCZ-IBGZPJMESA-N 2 0 337.552 2.468 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000348212907 465493550 /nfs/dbraw/zinc/49/35/50/465493550.db2.gz ZNESRNUTNNTITA-KURKYZTESA-N 2 0 336.524 2.377 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000337828256 465611081 /nfs/dbraw/zinc/61/10/81/465611081.db2.gz XOOSHWQTNNJPLU-UHFFFAOYSA-N 2 0 335.411 2.007 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000361336648 465917791 /nfs/dbraw/zinc/91/77/91/465917791.db2.gz RCGIVRRYINFZSK-QUCCMNQESA-N 2 0 331.504 2.209 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361632613 466163104 /nfs/dbraw/zinc/16/31/04/466163104.db2.gz TXSFRUIQPKQIQL-FQEVSTJZSA-N 2 0 347.478 2.390 10 0 EEAERP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349666563 466183300 /nfs/dbraw/zinc/18/33/00/466183300.db2.gz ZSSUVINJWQEEKM-JKSUJKDBSA-N 2 0 336.505 2.229 10 0 EEAERP C[C@@H]1Cc2ccccc2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357803378 466224104 /nfs/dbraw/zinc/22/41/04/466224104.db2.gz OARCVHJSDCTPFG-OAHLLOKOSA-N 2 0 327.472 2.176 10 0 EEAERP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349778064 466234848 /nfs/dbraw/zinc/23/48/48/466234848.db2.gz PCPODABNFJKDRY-LSDHHAIUSA-N 2 0 336.505 2.229 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349788115 466240531 /nfs/dbraw/zinc/24/05/31/466240531.db2.gz WPXAMYVNOMLZBU-MSOLQXFVSA-N 2 0 330.476 2.167 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)CC1 ZINC000372305799 466292338 /nfs/dbraw/zinc/29/23/38/466292338.db2.gz WAIKCHQYWLRTOD-IYBDPMFKSA-N 2 0 330.476 2.157 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000422914004 466687276 /nfs/dbraw/zinc/68/72/76/466687276.db2.gz ZPSIRBXPZSXZEE-HNAYVOBHSA-N 2 0 340.471 2.199 10 0 EEAERP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CC2 ZINC000423495549 466758295 /nfs/dbraw/zinc/75/82/95/466758295.db2.gz URMSTWDGGWGHBV-KBPBESRZSA-N 2 0 339.277 2.275 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000375110717 466808617 /nfs/dbraw/zinc/80/86/17/466808617.db2.gz APZFOCUBIGOLFN-IRXDYDNUSA-N 2 0 336.524 2.234 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000417403471 466851309 /nfs/dbraw/zinc/85/13/09/466851309.db2.gz NSLQIHAAVPPWIV-SFHVURJKSA-N 2 0 330.476 2.174 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417916426 466984758 /nfs/dbraw/zinc/98/47/58/466984758.db2.gz VZKPHXZJMQNGGW-WMZOPIPTSA-N 2 0 332.492 2.354 10 0 EEAERP C[C@]1(CNC(=O)NC[C@H]([NH3+])C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048852 467033974 /nfs/dbraw/zinc/03/39/74/467033974.db2.gz WUVSZUXTZOXDKL-PKOBYXMFSA-N 2 0 330.476 2.078 10 0 EEAERP C[C@]1(CNC(=O)N[C@@H](C[NH3+])C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048182 467034090 /nfs/dbraw/zinc/03/40/90/467034090.db2.gz VHTRCBWGIDOSHZ-PKOBYXMFSA-N 2 0 330.476 2.078 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418260179 467085313 /nfs/dbraw/zinc/08/53/13/467085313.db2.gz GPHAYNLOXWRBAW-GOSISDBHSA-N 2 0 332.492 2.422 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418283072 467087753 /nfs/dbraw/zinc/08/77/53/467087753.db2.gz IZXIQAVUDBOCED-UHFFFAOYSA-N 2 0 332.492 2.251 10 0 EEAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418342355 467095014 /nfs/dbraw/zinc/09/50/14/467095014.db2.gz PZWCISDEPZGVTI-SFHVURJKSA-N 2 0 347.507 2.077 10 0 EEAERP CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418434915 467110145 /nfs/dbraw/zinc/11/01/45/467110145.db2.gz WEXOXLVTVYTHSU-GBESFXJTSA-N 2 0 344.503 2.420 10 0 EEAERP O=C(NCC1=CC[NH2+]CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418547610 467127006 /nfs/dbraw/zinc/12/70/06/467127006.db2.gz YPSGTJMSTSRYGL-SFHVURJKSA-N 2 0 334.508 2.204 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000420314137 467351033 /nfs/dbraw/zinc/35/10/33/467351033.db2.gz YVKMPNBAWAVEHW-QZTJIDSGSA-N 2 0 345.487 2.072 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382714720 467378081 /nfs/dbraw/zinc/37/80/81/467378081.db2.gz ZMNHNLKRPXGFOQ-NEWSRXKRSA-N 2 0 329.488 2.484 10 0 EEAERP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000420382332 467387943 /nfs/dbraw/zinc/38/79/43/467387943.db2.gz PRANTTRXRIONHY-PMACEKPBSA-N 2 0 348.487 2.300 10 0 EEAERP C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000397587771 467443600 /nfs/dbraw/zinc/44/36/00/467443600.db2.gz KIPIUEDZHNAVMS-PKOBYXMFSA-N 2 0 331.504 2.134 10 0 EEAERP Clc1ccc2nc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cn2c1 ZINC000415062167 467478313 /nfs/dbraw/zinc/47/83/13/467478313.db2.gz ZXEMEOWVAASNQG-UHFFFAOYSA-N 2 0 347.894 2.294 10 0 EEAERP COCCOc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415058514 467478403 /nfs/dbraw/zinc/47/84/03/467478403.db2.gz TVLKPGAQPDLXGV-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP CC(C)C(=O)NCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449062832 467616342 /nfs/dbraw/zinc/61/63/42/467616342.db2.gz NCJNSRMYNVTKEB-QGZVFWFLSA-N 2 0 331.504 2.444 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528719066 467737016 /nfs/dbraw/zinc/73/70/16/467737016.db2.gz IWYBJAFSYTYNNR-UHFFFAOYSA-N 2 0 346.475 2.411 10 0 EEAERP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2COCCO2)CC3)cc1 ZINC000450640897 467884710 /nfs/dbraw/zinc/88/47/10/467884710.db2.gz HIACDBRBSSORKS-LJQANCHMSA-N 2 0 330.472 2.390 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)oc2C)C1 ZINC000530626888 467998343 /nfs/dbraw/zinc/99/83/43/467998343.db2.gz CLIUXIRWDVBPAE-MRXNPFEDSA-N 2 0 338.448 2.307 10 0 EEAERP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000487547909 468043846 /nfs/dbraw/zinc/04/38/46/468043846.db2.gz ATQQJUHCSGTHLA-NJAFHUGGSA-N 2 0 331.504 2.300 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000569837286 468551304 /nfs/dbraw/zinc/55/13/04/468551304.db2.gz MKVYPEMGLWCVKA-MSOLQXFVSA-N 2 0 345.531 2.040 10 0 EEAERP COCCN(C)C[C@@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221961 468605827 /nfs/dbraw/zinc/60/58/27/468605827.db2.gz CQPYUGKIYSZBDW-RTBURBONSA-N 2 0 349.519 2.356 10 0 EEAERP C[NH+](C)CC1CCC([NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000570323067 468621680 /nfs/dbraw/zinc/62/16/80/468621680.db2.gz QWIVBEDYYPFCFP-UHFFFAOYSA-N 2 0 342.480 2.309 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)CC1 ZINC000571384374 468779883 /nfs/dbraw/zinc/77/98/83/468779883.db2.gz JKSUHBXSDXEGCP-FQEVSTJZSA-N 2 0 345.531 2.086 10 0 EEAERP CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571523761 468801147 /nfs/dbraw/zinc/80/11/47/468801147.db2.gz VQGHNQBJPKKBKA-NOXHYTERSA-N 2 0 339.842 2.468 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H]1c1ccccc1 ZINC000571538490 468804467 /nfs/dbraw/zinc/80/44/67/468804467.db2.gz AGBUPHBVDQSXAG-ZJPYXAASSA-N 2 0 330.476 2.249 10 0 EEAERP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000584525216 468891685 /nfs/dbraw/zinc/89/16/85/468891685.db2.gz XZEVFGWSMUIJTA-NKELODKYSA-N 2 0 348.487 2.339 10 0 EEAERP C[NH+]1CCC2(CC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)CC1 ZINC000585116476 468978076 /nfs/dbraw/zinc/97/80/76/468978076.db2.gz YACQNGQTRKUVRG-UHFFFAOYSA-N 2 0 334.439 2.154 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000595896168 469069168 /nfs/dbraw/zinc/06/91/68/469069168.db2.gz HRELFWWAQPYOCH-RBSFLKMASA-N 2 0 338.473 2.396 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000618546194 469384047 /nfs/dbraw/zinc/38/40/47/469384047.db2.gz CKZPJKSLMLHMLI-QZTJIDSGSA-N 2 0 330.476 2.217 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000625862922 469415247 /nfs/dbraw/zinc/41/52/47/469415247.db2.gz WPZFFKOEWLKFDD-GJZGRUSLSA-N 2 0 334.464 2.197 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@H]1CC[NH+]1C1CCCCC1 ZINC000629602388 469589533 /nfs/dbraw/zinc/58/95/33/469589533.db2.gz DSHZAQVWYCJFQE-NHCUHLMSSA-N 2 0 345.531 2.476 10 0 EEAERP C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623369804 469636669 /nfs/dbraw/zinc/63/66/69/469636669.db2.gz QYMHQGKZHFNPEA-RBUKOAKNSA-N 2 0 329.488 2.213 10 0 EEAERP C[NH+]1CCN(C[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398677 469642271 /nfs/dbraw/zinc/64/22/71/469642271.db2.gz MHWCMHAIPWCLRY-WOJBJXKFSA-N 2 0 344.547 2.438 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000617344807 469650045 /nfs/dbraw/zinc/65/00/45/469650045.db2.gz PVSXFHMCCLBHKI-GOSISDBHSA-N 2 0 329.488 2.424 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617701740 469765238 /nfs/dbraw/zinc/76/52/38/469765238.db2.gz APCVBDPBLYCKHN-QAPCUYQASA-N 2 0 347.503 2.036 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000627033356 469797175 /nfs/dbraw/zinc/79/71/75/469797175.db2.gz HRSVGJKZMZAYJL-SPUZQDLCSA-N 2 0 332.492 2.426 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000624175743 469865655 /nfs/dbraw/zinc/86/56/55/469865655.db2.gz WFQWOGLJTSYATK-PLACYPQZSA-N 2 0 343.515 2.207 10 0 EEAERP C[C@@](O)(C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000634700404 470281221 /nfs/dbraw/zinc/28/12/21/470281221.db2.gz ZKMNJVVZTKEGCK-WOJBJXKFSA-N 2 0 332.488 2.284 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638837304 470300470 /nfs/dbraw/zinc/30/04/70/470300470.db2.gz ZALQAMQMUYXLNM-YSHGAJCASA-N 2 0 329.488 2.246 10 0 EEAERP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000633103736 470351563 /nfs/dbraw/zinc/35/15/63/470351563.db2.gz RVCMSKKCNDBTOL-OAHLLOKOSA-N 2 0 326.529 2.479 10 0 EEAERP [NH3+]C/C=C/CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000641870582 470505799 /nfs/dbraw/zinc/50/57/99/470505799.db2.gz WCRDNAZZCZNBEE-SGSXCFNPSA-N 2 0 342.487 2.199 10 0 EEAERP CN(C(=O)C1(c2ccccc2)CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649322892 470545113 /nfs/dbraw/zinc/54/51/13/470545113.db2.gz UMVILGISTCVVFB-GOSISDBHSA-N 2 0 327.472 2.003 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635771435 470748228 /nfs/dbraw/zinc/74/82/28/470748228.db2.gz WHHOOPJQYFSPCZ-QGZVFWFLSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646934965 470781825 /nfs/dbraw/zinc/78/18/25/470781825.db2.gz YJLCGHIXFXYURT-BBRMVZONSA-N 2 0 327.428 2.271 10 0 EEAERP CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899465 471010174 /nfs/dbraw/zinc/01/01/74/471010174.db2.gz LQXAKWRXCBLOTA-AEFFLSMTSA-N 2 0 333.451 2.248 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000654509525 471046353 /nfs/dbraw/zinc/04/63/53/471046353.db2.gz BNUVWDZHZJQJER-RANZSIQMSA-N 2 0 330.476 2.071 10 0 EEAERP Cn1ccnc1C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccccc1 ZINC000645180662 471167514 /nfs/dbraw/zinc/16/75/14/471167514.db2.gz WUQMMZAOPFQDPF-KRWDZBQOSA-N 2 0 348.454 2.489 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000652147824 471244700 /nfs/dbraw/zinc/24/47/00/471244700.db2.gz CUCGJAUIHIOGAT-HZPDHXFCSA-N 2 0 332.492 2.468 10 0 EEAERP CN(C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000652240308 471260837 /nfs/dbraw/zinc/26/08/37/471260837.db2.gz WQNVBBJGHNDBHI-GOSISDBHSA-N 2 0 344.503 2.421 10 0 EEAERP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000658033936 471261393 /nfs/dbraw/zinc/26/13/93/471261393.db2.gz ITUFTIWLUHVHSY-CQSZACIVSA-N 2 0 333.467 2.052 10 0 EEAERP CCN(C(=O)NCCn1c(C)nc2ccccc21)[C@H]1CC[N@H+](CC)C1 ZINC000663501335 471400999 /nfs/dbraw/zinc/40/09/99/471400999.db2.gz VQPFMZLWZDDUSD-INIZCTEOSA-N 2 0 343.475 2.470 10 0 EEAERP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CS1 ZINC000655691288 471444251 /nfs/dbraw/zinc/44/42/51/471444251.db2.gz SIGBHCKLYILYTC-MAUKXSAKSA-N 2 0 347.528 2.448 10 0 EEAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659033221 471476085 /nfs/dbraw/zinc/47/60/85/471476085.db2.gz VDXADIDLKLEYCF-ZWKOTPCHSA-N 2 0 344.459 2.050 10 0 EEAERP CC[NH+]1CCC(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659035216 471478121 /nfs/dbraw/zinc/47/81/21/471478121.db2.gz VDFDSSDUPYXBNN-GOSISDBHSA-N 2 0 346.475 2.201 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659044841 471485892 /nfs/dbraw/zinc/48/58/92/471485892.db2.gz WCPZGNMPTALNTK-QGZVFWFLSA-N 2 0 334.464 2.153 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000666664736 471487720 /nfs/dbraw/zinc/48/77/20/471487720.db2.gz LMPXZDBGHBSRAZ-WMZOPIPTSA-N 2 0 332.492 2.049 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806512 471489448 /nfs/dbraw/zinc/48/94/48/471489448.db2.gz XNLOVGOJEHRGKB-GRDNDAEWSA-N 2 0 339.505 2.439 10 0 EEAERP [NH3+]C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000669474420 471510019 /nfs/dbraw/zinc/51/00/19/471510019.db2.gz BKRHCVUCDQPQFE-QBUWPKIASA-N 2 0 342.487 2.172 10 0 EEAERP [NH3+][C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000669509041 471528334 /nfs/dbraw/zinc/52/83/34/471528334.db2.gz GECBCBUCBVCHOR-INIZCTEOSA-N 2 0 332.835 2.031 10 0 EEAERP [NH3+]CC1(CCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000653220950 471540248 /nfs/dbraw/zinc/54/02/48/471540248.db2.gz AIVNGWUTFDSDKF-INIZCTEOSA-N 2 0 333.451 2.283 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663843445 471543319 /nfs/dbraw/zinc/54/33/19/471543319.db2.gz KWWOVJYOPYXFAQ-MSOLQXFVSA-N 2 0 332.492 2.333 10 0 EEAERP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661004343 471584587 /nfs/dbraw/zinc/58/45/87/471584587.db2.gz RKXCRXXIFRBEBJ-QFBILLFUSA-N 2 0 344.503 2.100 10 0 EEAERP [NH3+][C@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000659371073 471596636 /nfs/dbraw/zinc/59/66/36/471596636.db2.gz YNQDXFUVIXIFAR-MSOLQXFVSA-N 2 0 325.412 2.376 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000656153762 471610927 /nfs/dbraw/zinc/61/09/27/471610927.db2.gz MSTXUEHJTMXISE-HZSPNIEDSA-N 2 0 346.393 2.375 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000659478204 471648157 /nfs/dbraw/zinc/64/81/57/471648157.db2.gz AJLDMHXEWQCWTE-KFKAGJAMSA-N 2 0 342.487 2.082 10 0 EEAERP c1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc(N2CCOCC2)n1 ZINC000664403646 471741665 /nfs/dbraw/zinc/74/16/65/471741665.db2.gz PRNYZWJCLPVEFU-OAHLLOKOSA-N 2 0 331.464 2.132 10 0 EEAERP CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664578153 471800462 /nfs/dbraw/zinc/80/04/62/471800462.db2.gz YBINZBDYARVDDA-SFHVURJKSA-N 2 0 345.491 2.034 10 0 EEAERP CCN(C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664591528 471804992 /nfs/dbraw/zinc/80/49/92/471804992.db2.gz PJFTWOBYCKGVOC-SJLPKXTDSA-N 2 0 332.492 2.243 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@]1(O)CCCOC1 ZINC000660166790 471888486 /nfs/dbraw/zinc/88/84/86/471888486.db2.gz UWQCRVZWKRJQPD-LJQANCHMSA-N 2 0 333.476 2.161 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000667952504 471960826 /nfs/dbraw/zinc/96/08/26/471960826.db2.gz KSTWFYVUMODFPS-LJQANCHMSA-N 2 0 327.472 2.035 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)C[NH2+]C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000662513956 472135252 /nfs/dbraw/zinc/13/52/52/472135252.db2.gz HWEZQWIUPOMEBH-IEBWSBKVSA-N 2 0 331.460 2.087 10 0 EEAERP C[C@@H]1C[NH+](CCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000662689763 472208508 /nfs/dbraw/zinc/20/85/08/472208508.db2.gz XLJGCGFBMLXYGF-GPMSIDNRSA-N 2 0 345.487 2.227 10 0 EEAERP CN(c1ccccc1C[N@@H+]1CCC2(COC2)C1)C1CC[NH+](C)CC1 ZINC000668720029 472237707 /nfs/dbraw/zinc/23/77/07/472237707.db2.gz ILZUXZWPPZJICV-UHFFFAOYSA-N 2 0 329.488 2.439 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000662868658 472283976 /nfs/dbraw/zinc/28/39/76/472283976.db2.gz NUWKYKGUFPIBGP-SNRMKQJTSA-N 2 0 345.487 2.037 10 0 EEAERP [NH3+]C/C=C/CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000668839940 472292885 /nfs/dbraw/zinc/29/28/85/472292885.db2.gz LURAJJJYAUSKBL-OWOJBTEDSA-N 2 0 336.867 2.119 10 0 EEAERP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683827972 485653368 /nfs/dbraw/zinc/65/33/68/485653368.db2.gz RUGVKDLZKFVTFL-UHFFFAOYSA-N 2 0 340.471 2.125 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000382102294 485666851 /nfs/dbraw/zinc/66/68/51/485666851.db2.gz BUGICRSEVSBSSQ-MAUKXSAKSA-N 2 0 341.455 2.137 10 0 EEAERP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000684428692 485880038 /nfs/dbraw/zinc/88/00/38/485880038.db2.gz CWYJNQSEHAGYCK-AZUAARDMSA-N 2 0 348.487 2.397 10 0 EEAERP CC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000680555428 486004226 /nfs/dbraw/zinc/00/42/26/486004226.db2.gz SLIWLZZUCCFSLO-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000106459653 518177426 /nfs/dbraw/zinc/17/74/26/518177426.db2.gz WQUWISIPHLBFAS-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP COC(=O)c1ccc2c(cnn2C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000738076868 577998554 /nfs/dbraw/zinc/99/85/54/577998554.db2.gz OLIHRPXQHDZCEY-UHFFFAOYSA-N 2 0 330.432 2.054 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=S)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730736288 577052479 /nfs/dbraw/zinc/05/24/79/577052479.db2.gz RNQWHZZMZASRPC-MRXNPFEDSA-N 2 0 340.581 2.399 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000764465210 577736774 /nfs/dbraw/zinc/73/67/74/577736774.db2.gz DKMDFIPAYKJULK-SESVDKBCSA-N 2 0 345.531 2.295 10 0 EEAERP CCN1CCO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390883432 578268315 /nfs/dbraw/zinc/26/83/15/578268315.db2.gz YSPGJGDAAUVEKR-VTHDOGFWSA-N 2 0 343.515 2.492 10 0 EEAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000924936119 681715263 /nfs/dbraw/zinc/71/52/63/681715263.db2.gz BYHJRCQWCMOEKC-IBGZPJMESA-N 2 0 348.487 2.445 10 0 EEAERP CC1([NH+]2CCCC2)CCC(NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000925056267 682763051 /nfs/dbraw/zinc/76/30/51/682763051.db2.gz ZPMQQUMKIKKTPL-UHFFFAOYSA-N 2 0 334.508 2.345 10 0 EEAERP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000925606735 684619578 /nfs/dbraw/zinc/61/95/78/684619578.db2.gz QEJJLTCWRWWBTG-AABGKKOBSA-N 3 0 336.568 2.016 10 0 EEAERP COC(=O)c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n(C)c1C ZINC000895647283 684670419 /nfs/dbraw/zinc/67/04/19/684670419.db2.gz UPVGSSSFZZOOKI-UHFFFAOYSA-N 2 0 342.443 2.274 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001485657804 1191891915 /nfs/dbraw/zinc/89/19/15/1191891915.db2.gz NULZSNPGBOQGCS-GUDVDZBRSA-N 2 0 344.503 2.139 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CCCC2CCOCC2)CC1 ZINC001485762637 1191936968 /nfs/dbraw/zinc/93/69/68/1191936968.db2.gz FTKJPKUABBETJK-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1csc(CN2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001266245667 1176014235 /nfs/dbraw/zinc/01/42/35/1176014235.db2.gz DUXJAIVAZNGNLT-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP O=C(NC[C@@H]([NH2+]CCCC1CCC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001266410106 1176498505 /nfs/dbraw/zinc/49/85/05/1176498505.db2.gz YHBGPBQESRLGSI-RBUKOAKNSA-N 2 0 333.520 2.393 10 0 EEAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001266472241 1176601166 /nfs/dbraw/zinc/60/11/66/1176601166.db2.gz GGZRFRKLOSPZIW-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001266488400 1176623625 /nfs/dbraw/zinc/62/36/25/1176623625.db2.gz IQOSWVCMIAJOMP-CHYADLBTSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001266495370 1176638733 /nfs/dbraw/zinc/63/87/33/1176638733.db2.gz LNGBLFNHUHJAON-HKUYNNGSSA-N 2 0 349.519 2.036 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001266699732 1177223245 /nfs/dbraw/zinc/22/32/45/1177223245.db2.gz NRCKVYWIQISSLT-IBGZPJMESA-N 2 0 345.487 2.138 10 0 EEAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1OC)[NH+](C)C ZINC001266741156 1177332710 /nfs/dbraw/zinc/33/27/10/1177332710.db2.gz LKKLTCPLPRSSFB-OAHLLOKOSA-N 2 0 341.883 2.237 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001266804523 1177457429 /nfs/dbraw/zinc/45/74/29/1177457429.db2.gz JISHVYCTLKTJTQ-CYBMUJFWSA-N 2 0 335.414 2.109 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001266822566 1177492728 /nfs/dbraw/zinc/49/27/28/1177492728.db2.gz AVUUTIQMZWKOKE-HXUWFJFHSA-N 2 0 343.515 2.462 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOC(C)C)C1 ZINC001266825547 1177498373 /nfs/dbraw/zinc/49/83/73/1177498373.db2.gz GRYIITPEQFHRDK-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001266902225 1177764124 /nfs/dbraw/zinc/76/41/24/1177764124.db2.gz OXDDNMAFERIRDW-YDDHHUIZSA-N 2 0 331.504 2.265 10 0 EEAERP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691322138 1177907116 /nfs/dbraw/zinc/90/71/16/1177907116.db2.gz XNFLJLHHPGXIDC-GOSISDBHSA-N 2 0 349.906 2.272 10 0 EEAERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001691373791 1177979226 /nfs/dbraw/zinc/97/92/26/1177979226.db2.gz FBEZEYKUOHFXCS-IBGZPJMESA-N 2 0 347.503 2.364 10 0 EEAERP COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267111375 1178268479 /nfs/dbraw/zinc/26/84/79/1178268479.db2.gz OACZCQMZQXKJAB-OKZBNKHCSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001267138782 1178312225 /nfs/dbraw/zinc/31/22/25/1178312225.db2.gz BIJPODBLRGRGGQ-HKUYNNGSSA-N 2 0 347.503 2.343 10 0 EEAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCCc2ccccc21 ZINC001480934719 1178833484 /nfs/dbraw/zinc/83/34/84/1178833484.db2.gz FGSZTDASMKASAS-APWZRJJASA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001267458480 1179044303 /nfs/dbraw/zinc/04/43/03/1179044303.db2.gz DXPXFBZEHPYWHY-GOSISDBHSA-N 2 0 330.476 2.302 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCOc1cccc(C)c1 ZINC001267474696 1179107131 /nfs/dbraw/zinc/10/71/31/1179107131.db2.gz SKXFEJLBJYIJMH-IBGZPJMESA-N 2 0 347.503 2.296 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001481064314 1179664965 /nfs/dbraw/zinc/66/49/65/1179664965.db2.gz HRRGBPAAGIYWJH-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@@H](C)O)CC1 ZINC001267931889 1180782490 /nfs/dbraw/zinc/78/24/90/1180782490.db2.gz HZSYTAJHPIDYDH-TVFCKZIOSA-N 2 0 339.524 2.039 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC001481317481 1181016637 /nfs/dbraw/zinc/01/66/37/1181016637.db2.gz GMBUEOLMCLSTGO-UHFFFAOYSA-N 2 0 344.459 2.215 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001481333225 1181054276 /nfs/dbraw/zinc/05/42/76/1181054276.db2.gz IHDBMJNONODOAF-RHSMWYFYSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CCNC(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001481435155 1181332726 /nfs/dbraw/zinc/33/27/26/1181332726.db2.gz KOLJGBGRIMUYHX-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CCOCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001268039315 1181389094 /nfs/dbraw/zinc/38/90/94/1181389094.db2.gz XTZDOSBSAZILFH-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001481518189 1181628397 /nfs/dbraw/zinc/62/83/97/1181628397.db2.gz KCMXBEUMHXLAHB-WBVHZDCISA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCCCCF)C2)CC1 ZINC001481652617 1182127891 /nfs/dbraw/zinc/12/78/91/1182127891.db2.gz XULIMDVHQZGMCH-UHFFFAOYSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481655273 1182137860 /nfs/dbraw/zinc/13/78/60/1182137860.db2.gz UJUTUXSYPLVRIA-OAHLLOKOSA-N 2 0 333.451 2.024 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CCC1 ZINC001268280554 1182147053 /nfs/dbraw/zinc/14/70/53/1182147053.db2.gz SXIZIKWLMWAUCV-CHWSQXEVSA-N 2 0 335.414 2.298 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001481776718 1182674958 /nfs/dbraw/zinc/67/49/58/1182674958.db2.gz BFBQDVIQHMAXOB-SFHVURJKSA-N 2 0 332.492 2.236 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC001481814226 1182730271 /nfs/dbraw/zinc/73/02/71/1182730271.db2.gz RQZWZJSRHYNSMF-BPQIPLTHSA-N 2 0 349.523 2.179 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nc(C)sc1C ZINC001481850332 1182800046 /nfs/dbraw/zinc/80/00/46/1182800046.db2.gz LADXSWQXLOORCV-DOMZBBRYSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]C/C(Cl)=C\Cl ZINC001481852026 1182804263 /nfs/dbraw/zinc/80/42/63/1182804263.db2.gz LQHZMKWCESOAPN-WVZIHWCRSA-N 2 0 345.274 2.327 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001481933149 1182981073 /nfs/dbraw/zinc/98/10/73/1182981073.db2.gz XTHJPZJZLHNNHN-ICSRJNTNSA-N 2 0 344.503 2.331 10 0 EEAERP CCN(CC[NH2+]CCC1CCOCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001268500325 1183042722 /nfs/dbraw/zinc/04/27/22/1183042722.db2.gz WULAVWTZYIDNSO-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCN(CC[NH2+]CCC1CCOCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268500324 1183043049 /nfs/dbraw/zinc/04/30/49/1183043049.db2.gz WULAVWTZYIDNSO-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001482016389 1183134734 /nfs/dbraw/zinc/13/47/34/1183134734.db2.gz CGGUBISSCBDZAV-XLAORIBOSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001482027878 1183158482 /nfs/dbraw/zinc/15/84/82/1183158482.db2.gz SHUHQOPTTMSUIU-SHTZXODSSA-N 2 0 338.521 2.043 10 0 EEAERP CC(C)(C(=O)NCc1ccc(C[NH2+]CCCO)cc1)[NH+]1CCCCC1 ZINC001482030324 1183164414 /nfs/dbraw/zinc/16/44/14/1183164414.db2.gz USBRQCGATNDZGO-UHFFFAOYSA-N 2 0 347.503 2.039 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001268540832 1183209100 /nfs/dbraw/zinc/20/91/00/1183209100.db2.gz AKRVESVKCVBLGZ-IBMJZYDUSA-N 2 0 329.488 2.406 10 0 EEAERP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C2CCC2)s1 ZINC001268550089 1183237671 /nfs/dbraw/zinc/23/76/71/1183237671.db2.gz MEUGPNWOXMNVCY-SNAWJCMRSA-N 2 0 336.505 2.006 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCCC(F)(F)F ZINC001268579109 1183347755 /nfs/dbraw/zinc/34/77/55/1183347755.db2.gz OEVLPLMOCSXJGF-GXMNPTEKSA-N 2 0 335.414 2.465 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001268596232 1183443731 /nfs/dbraw/zinc/44/37/31/1183443731.db2.gz MGVMAAONEHPZQQ-XDXAGZTOSA-N 2 0 330.476 2.107 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001268626619 1183544786 /nfs/dbraw/zinc/54/47/86/1183544786.db2.gz QGOHPXFCBUDMCO-XQDXJYKWSA-N 2 0 341.499 2.005 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268687173 1183611247 /nfs/dbraw/zinc/61/12/47/1183611247.db2.gz ZGVDWMSTUXGSDA-FRQCXROJSA-N 2 0 331.504 2.226 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001268768529 1183685098 /nfs/dbraw/zinc/68/50/98/1183685098.db2.gz YKYBZRZUTXKJFE-XBJHSPDSSA-N 2 0 327.900 2.488 10 0 EEAERP O=C(N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269071225 1183939425 /nfs/dbraw/zinc/93/94/25/1183939425.db2.gz FCHNLEAZZDZVAV-RTBURBONSA-N 2 0 331.504 2.313 10 0 EEAERP C[C@@H](O)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCC1 ZINC001482223330 1184308465 /nfs/dbraw/zinc/30/84/65/1184308465.db2.gz RWWUMUQGOIPLCR-OAHLLOKOSA-N 2 0 339.524 2.039 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001482232874 1184418555 /nfs/dbraw/zinc/41/85/55/1184418555.db2.gz WJXNPTDSNQWUIY-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)OCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001280042143 1184552961 /nfs/dbraw/zinc/55/29/61/1184552961.db2.gz QSTAWNSYSNJVSR-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCCCOC)C2)C1)[NH+](C)C ZINC001269740584 1184574745 /nfs/dbraw/zinc/57/47/45/1184574745.db2.gz GPKYYRWMTILRFX-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001270129646 1184870173 /nfs/dbraw/zinc/87/01/73/1184870173.db2.gz SIDZFFPBCYONLB-IBGZPJMESA-N 2 0 331.504 2.324 10 0 EEAERP Cc1cncn1CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001270239543 1184948589 /nfs/dbraw/zinc/94/85/89/1184948589.db2.gz KNKLZNHSXNHYNK-LJQANCHMSA-N 2 0 340.471 2.323 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283231 1185051074 /nfs/dbraw/zinc/05/10/74/1185051074.db2.gz LBMYWQAJPVCSNN-HDMKZQKVSA-N 2 0 342.487 2.445 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001482288373 1185089844 /nfs/dbraw/zinc/08/98/44/1185089844.db2.gz KRDOSQNNNKISES-FHLIZLRMSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]C/C=C/c1ccccc1 ZINC001270516611 1185141674 /nfs/dbraw/zinc/14/16/74/1185141674.db2.gz FYTAEKNACBNWCP-OKMWKSJFSA-N 2 0 329.488 2.384 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482319283 1185335717 /nfs/dbraw/zinc/33/57/17/1185335717.db2.gz ZUTRQTVDNWZKAG-INIZCTEOSA-N 2 0 332.492 2.201 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406642 1185630096 /nfs/dbraw/zinc/63/00/96/1185630096.db2.gz NBNIZRHKSNWCKY-IRXDYDNUSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001270995136 1185797047 /nfs/dbraw/zinc/79/70/47/1185797047.db2.gz HSFFQYXAOOREMF-KRWDZBQOSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)c1 ZINC001271608827 1186337358 /nfs/dbraw/zinc/33/73/58/1186337358.db2.gz KSLLVWHGRXDZEV-LJQANCHMSA-N 2 0 344.503 2.347 10 0 EEAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCc1cccs1 ZINC001271628691 1186342717 /nfs/dbraw/zinc/34/27/17/1186342717.db2.gz IYDOKPJODQBBPW-JKSUJKDBSA-N 2 0 349.544 2.459 10 0 EEAERP C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001271740137 1186453074 /nfs/dbraw/zinc/45/30/74/1186453074.db2.gz SAGTYSSSBDEADA-AEFFLSMTSA-N 2 0 340.471 2.412 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482662148 1187505949 /nfs/dbraw/zinc/50/59/49/1187505949.db2.gz IYIQSTJIAQJSLZ-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001482694741 1187661234 /nfs/dbraw/zinc/66/12/34/1187661234.db2.gz QQXCNJBQNZXQCP-RBUKOAKNSA-N 2 0 341.499 2.199 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001482875849 1187795557 /nfs/dbraw/zinc/79/55/57/1187795557.db2.gz BPEUOUVGZRHNRU-IAGOWNOFSA-N 2 0 349.523 2.152 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1cccc(OC)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001482964130 1187899449 /nfs/dbraw/zinc/89/94/49/1187899449.db2.gz XRBCUEZITZDLEC-INIZCTEOSA-N 2 0 345.487 2.290 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001482970198 1187910807 /nfs/dbraw/zinc/91/08/07/1187910807.db2.gz PEQTVZFJCCTLAW-UHFFFAOYSA-N 2 0 336.455 2.035 10 0 EEAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1F)C1CCC1 ZINC001483019555 1188006548 /nfs/dbraw/zinc/00/65/48/1188006548.db2.gz ZROFQOHPQJXVMZ-IHWYPQMZSA-N 2 0 337.414 2.211 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001670960242 1193533398 /nfs/dbraw/zinc/53/33/98/1193533398.db2.gz DHRXGCWDMXFWGK-MSOLQXFVSA-N 2 0 349.519 2.107 10 0 EEAERP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691555925 1188260949 /nfs/dbraw/zinc/26/09/49/1188260949.db2.gz OGELNIGXYYNJCU-KRWDZBQOSA-N 2 0 329.488 2.065 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@@H]1CCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001483083879 1188445095 /nfs/dbraw/zinc/44/50/95/1188445095.db2.gz RVINNOVBSMGSFZ-OAJJDEHYSA-N 2 0 325.456 2.032 10 0 EEAERP CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001691655587 1193584483 /nfs/dbraw/zinc/58/44/83/1193584483.db2.gz BCRNNCHXTJVPDL-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001409348166 1189559527 /nfs/dbraw/zinc/55/95/27/1189559527.db2.gz GJEXQIFBHAZARC-LSDHHAIUSA-N 2 0 349.523 2.056 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001409455003 1189703631 /nfs/dbraw/zinc/70/36/31/1189703631.db2.gz HIZPKAJVHAXLSV-HZPDHXFCSA-N 2 0 347.507 2.077 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001485944038 1193653922 /nfs/dbraw/zinc/65/39/22/1193653922.db2.gz JPGRZRTWRIGGNL-LSDHHAIUSA-N 2 0 333.451 2.419 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001485960697 1193659772 /nfs/dbraw/zinc/65/97/72/1193659772.db2.gz KLHXDWGHNTWYHG-INIZCTEOSA-N 2 0 334.508 2.482 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001486090457 1193678416 /nfs/dbraw/zinc/67/84/16/1193678416.db2.gz KNAODBLEUASLSY-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2ncccn2)C1 ZINC001483486588 1190506381 /nfs/dbraw/zinc/50/63/81/1190506381.db2.gz IXJREGYRZQBZNB-IRXDYDNUSA-N 2 0 347.507 2.098 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1 ZINC001483564658 1190554033 /nfs/dbraw/zinc/55/40/33/1190554033.db2.gz PVALDUBTONBZJK-AHRSYUTCSA-N 2 0 343.515 2.362 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001483571100 1190560207 /nfs/dbraw/zinc/56/02/07/1190560207.db2.gz OYZXIGOBJFANHC-NBZFBGEYSA-N 2 0 327.900 2.344 10 0 EEAERP CC(C)CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001483574139 1190564016 /nfs/dbraw/zinc/56/40/16/1190564016.db2.gz QJCWVPGERINAKS-SFHVURJKSA-N 2 0 341.459 2.411 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591568 1190574618 /nfs/dbraw/zinc/57/46/18/1190574618.db2.gz FKEOMQGOLVJYOG-RDTXWAMCSA-N 2 0 348.491 2.232 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCOC(C)C ZINC001483615611 1190591556 /nfs/dbraw/zinc/59/15/56/1190591556.db2.gz OFURQQTUPJBLHO-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2)CN1C(=O)CC[NH+](C)C ZINC001486122819 1193688275 /nfs/dbraw/zinc/68/82/75/1193688275.db2.gz UXFBHXANBWLBGS-HIFRSBDPSA-N 2 0 339.430 2.038 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)C[NH+]1CCCC1 ZINC001486125594 1193688884 /nfs/dbraw/zinc/68/88/84/1193688884.db2.gz CCGJSGIJMOVQOC-ZWKOTPCHSA-N 2 0 345.487 2.130 10 0 EEAERP Cc1cc(C[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCCC2)ncn1 ZINC001409789637 1190621110 /nfs/dbraw/zinc/62/11/10/1190621110.db2.gz QBIAPNWGDWSMSR-UHFFFAOYSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001486131635 1193689978 /nfs/dbraw/zinc/68/99/78/1193689978.db2.gz XUYSFQKLWCGNOZ-MSOLQXFVSA-N 2 0 345.487 2.049 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001272617339 1190932538 /nfs/dbraw/zinc/93/25/38/1190932538.db2.gz VKTQZQJTWBZSPS-QGZVFWFLSA-N 2 0 339.499 2.296 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001272617338 1190932697 /nfs/dbraw/zinc/93/26/97/1190932697.db2.gz VKTQZQJTWBZSPS-KRWDZBQOSA-N 2 0 339.499 2.296 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCC1CCOCC1 ZINC001493547787 1190982413 /nfs/dbraw/zinc/98/24/13/1190982413.db2.gz XKEVKCAFPREJPD-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)ns2)CC1 ZINC001483795158 1191035021 /nfs/dbraw/zinc/03/50/21/1191035021.db2.gz PTYCZIKWOHGLMH-HNNXBMFYSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1nocc1C[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001483966699 1191134949 /nfs/dbraw/zinc/13/49/49/1191134949.db2.gz AOECDIDHOYWGRD-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC001483973728 1191137474 /nfs/dbraw/zinc/13/74/74/1191137474.db2.gz FOGFUNCMQJXCBJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP COCc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001484070255 1191190777 /nfs/dbraw/zinc/19/07/77/1191190777.db2.gz FYJIRPIBMKJALU-FQEVSTJZSA-N 2 0 345.487 2.009 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484125014 1191223885 /nfs/dbraw/zinc/22/38/85/1191223885.db2.gz LFIRSPBONIDLSJ-JXFKEZNVSA-N 2 0 347.478 2.414 10 0 EEAERP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC[C@@H](C)F)CCC1(F)F ZINC001484197534 1191269340 /nfs/dbraw/zinc/26/93/40/1191269340.db2.gz ISBIIHORNBLUQF-KGLIPLIRSA-N 2 0 337.430 2.148 10 0 EEAERP C[C@H]([NH2+]Cc1c(F)cccc1F)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348438 1191313422 /nfs/dbraw/zinc/31/34/22/1191313422.db2.gz UYIBYNYRSATIHP-UONOGXRCSA-N 2 0 339.430 2.243 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551699 1191410558 /nfs/dbraw/zinc/41/05/58/1191410558.db2.gz OFPMLQMAOWQGCS-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CC2(C1)CC[NH+](CCCCCF)CC2)C12CC[NH+](CC1)C2 ZINC001484581795 1191426089 /nfs/dbraw/zinc/42/60/89/1191426089.db2.gz QAUILIWRUJLXHS-UHFFFAOYSA-N 2 0 337.483 2.146 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCO)CC2)c1 ZINC001484574850 1191427620 /nfs/dbraw/zinc/42/76/20/1191427620.db2.gz JYPJDQWQDCCNQQ-RUCARUNLSA-N 2 0 347.503 2.009 10 0 EEAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC001484683725 1191470226 /nfs/dbraw/zinc/47/02/26/1191470226.db2.gz IFTWDVGADJQSNN-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH2+]CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001485102455 1191652504 /nfs/dbraw/zinc/65/25/04/1191652504.db2.gz FSHHZXJOPQPPDJ-UHFFFAOYSA-N 2 0 346.519 2.352 10 0 EEAERP C[C@@H](NCc1ncc(Cl)s1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158039 1191673297 /nfs/dbraw/zinc/67/32/97/1191673297.db2.gz WUBMYEUWFHHLGV-MNOVXSKESA-N 2 0 344.912 2.264 10 0 EEAERP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001485176230 1191677516 /nfs/dbraw/zinc/67/75/16/1191677516.db2.gz VAYXAYRWPTWJCR-CVEARBPZSA-N 2 0 349.523 2.058 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001485224423 1191696763 /nfs/dbraw/zinc/69/67/63/1191696763.db2.gz IOAVDXFJGTXRPN-HOTGVXAUSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC001485347314 1191749281 /nfs/dbraw/zinc/74/92/81/1191749281.db2.gz HEAAMPCMUWVOND-CHWSQXEVSA-N 2 0 327.419 2.414 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C/C=C/c1ccccc1 ZINC001485373134 1191770242 /nfs/dbraw/zinc/77/02/42/1191770242.db2.gz KTYCZNADEVXWAT-JWUWVAEESA-N 2 0 329.488 2.478 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC[C@@H]1CCCO1)CC2 ZINC001486159516 1193705755 /nfs/dbraw/zinc/70/57/55/1193705755.db2.gz IRFNQFMATRAXSC-LNLFQRSKSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCC(C)(C)C ZINC001486359295 1193845262 /nfs/dbraw/zinc/84/52/62/1193845262.db2.gz TZRLYNVXRZLXJH-SJORKVTESA-N 2 0 341.540 2.048 10 0 EEAERP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001486507830 1194018096 /nfs/dbraw/zinc/01/80/96/1194018096.db2.gz YGIPONNTHFSMDA-MRXNPFEDSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001410423732 1197857044 /nfs/dbraw/zinc/85/70/44/1197857044.db2.gz JRSLYUKKZDDYPM-HKUYNNGSSA-N 2 0 331.504 2.458 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001410439472 1197900859 /nfs/dbraw/zinc/90/08/59/1197900859.db2.gz RGWYTVKGRPPUEX-DOTOQJQBSA-N 2 0 347.503 2.282 10 0 EEAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000872150624 1198058834 /nfs/dbraw/zinc/05/88/34/1198058834.db2.gz GCYUSSMJCBBLCB-KGLIPLIRSA-N 2 0 335.414 2.142 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000865783043 1198374115 /nfs/dbraw/zinc/37/41/15/1198374115.db2.gz FGXVJHGQJXQFBX-GOSISDBHSA-N 2 0 347.503 2.112 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001410909242 1198574904 /nfs/dbraw/zinc/57/49/04/1198574904.db2.gz CUGWXVMXKOAWME-UPEYHEBKSA-N 2 0 337.895 2.051 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001410945635 1198612070 /nfs/dbraw/zinc/61/20/70/1198612070.db2.gz QDMBKPDBPZBFDE-GJZGRUSLSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001411242507 1198961948 /nfs/dbraw/zinc/96/19/48/1198961948.db2.gz YVHRKWHJWUHNEL-CGZBRXJRSA-N 2 0 348.491 2.245 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810711084 1199690042 /nfs/dbraw/zinc/69/00/42/1199690042.db2.gz ZRHROWFOXRSZAR-KDOFPFPSSA-N 2 0 327.488 2.436 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)C[C@H]1C[NH+](C)C ZINC000870016977 1200409370 /nfs/dbraw/zinc/40/93/70/1200409370.db2.gz DHCADTYWNQOCKY-BDXSIMOUSA-N 2 0 335.536 2.401 10 0 EEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870889006 1200934246 /nfs/dbraw/zinc/93/42/46/1200934246.db2.gz VFMUFFGKMRLERV-PYQAKABTSA-N 2 0 327.472 2.456 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908750 1200944935 /nfs/dbraw/zinc/94/49/35/1200944935.db2.gz WZVGJWUNLXBNSR-IPYPFGDCSA-N 2 0 335.414 2.237 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870937320 1200966917 /nfs/dbraw/zinc/96/69/17/1200966917.db2.gz ZCWHVALQLVNUBX-JKOKRWQUSA-N 2 0 340.265 2.035 10 0 EEAERP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870942235 1200969093 /nfs/dbraw/zinc/96/90/93/1200969093.db2.gz JACAGQLGEYDAHZ-BXUZGUMPSA-N 2 0 340.265 2.036 10 0 EEAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813113219 1201123403 /nfs/dbraw/zinc/12/34/03/1201123403.db2.gz CCKLUTGPTYHEHI-KSSFIOAISA-N 2 0 327.488 2.388 10 0 EEAERP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000866558803 1201547942 /nfs/dbraw/zinc/54/79/42/1201547942.db2.gz VINYROXBWWOYIT-DFQSSKMNSA-N 2 0 331.504 2.268 10 0 EEAERP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709874 1201585996 /nfs/dbraw/zinc/58/59/96/1201585996.db2.gz MJNFBDMZCUDEJB-SRMUXQRQSA-N 2 0 335.835 2.268 10 0 EEAERP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714026 1201587631 /nfs/dbraw/zinc/58/76/31/1201587631.db2.gz DIDQDFURFKYRCJ-TWMKSMIVSA-N 2 0 333.407 2.144 10 0 EEAERP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717876 1201587897 /nfs/dbraw/zinc/58/78/97/1201587897.db2.gz SHIRAFWSEVNEGK-JPBKIQTRSA-N 2 0 344.455 2.326 10 0 EEAERP C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC1(C)C ZINC000868167859 1201756718 /nfs/dbraw/zinc/75/67/18/1201756718.db2.gz NJHGSTVZYWRRBW-UHFFFAOYSA-N 2 0 334.439 2.419 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2Cl)CC[N@@H+]1C ZINC001274037143 1204339905 /nfs/dbraw/zinc/33/99/05/1204339905.db2.gz QHUUSYBWLKNRCS-QNQFUXMYSA-N 2 0 335.879 2.442 10 0 EEAERP O=C(Cc1cn2c(n1)CCCC2)NC/C=C\C[NH2+]CC1CCCC1 ZINC001274047765 1204344796 /nfs/dbraw/zinc/34/47/96/1204344796.db2.gz GWXAYVFHWARQCL-PLNGDYQASA-N 2 0 330.476 2.214 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001274088134 1204364241 /nfs/dbraw/zinc/36/42/41/1204364241.db2.gz GEPZXXNYKPCZGD-DUMMIQTOSA-N 2 0 327.472 2.420 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001274367637 1205011278 /nfs/dbraw/zinc/01/12/78/1205011278.db2.gz DBSGFESFRYPIOM-VOTSOKGWSA-N 2 0 338.521 2.191 10 0 EEAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001274815422 1205170872 /nfs/dbraw/zinc/17/08/72/1205170872.db2.gz CDCUWMVANNHTBF-JSGCOSHPSA-N 2 0 326.872 2.060 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001274843370 1205184396 /nfs/dbraw/zinc/18/43/96/1205184396.db2.gz ODFQYDHIBFKYPH-MRXNPFEDSA-N 2 0 349.438 2.218 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001411892098 1205583046 /nfs/dbraw/zinc/58/30/46/1205583046.db2.gz VZVKSTHTXDJAGM-RCCFBDPRSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCOCC1 ZINC001276001157 1205628227 /nfs/dbraw/zinc/62/82/27/1205628227.db2.gz FEMIQBFNFZPYQV-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001276006882 1205631920 /nfs/dbraw/zinc/63/19/20/1205631920.db2.gz FVFPHEJSLIURDI-NVXWUHKLSA-N 2 0 335.467 2.147 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)C1 ZINC001412401755 1205715962 /nfs/dbraw/zinc/71/59/62/1205715962.db2.gz QGTOCCOQNCTTGO-QXAKKESOSA-N 2 0 347.478 2.289 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001412666551 1205819709 /nfs/dbraw/zinc/81/97/09/1205819709.db2.gz WUJWEHJLJIOOOB-NJAFHUGGSA-N 2 0 333.451 2.200 10 0 EEAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccnn1CC1CCC1 ZINC000924629459 1206007112 /nfs/dbraw/zinc/00/71/12/1206007112.db2.gz PJOFFNRBLADHBK-INIZCTEOSA-N 2 0 333.524 2.360 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924966873 1206056565 /nfs/dbraw/zinc/05/65/65/1206056565.db2.gz QOFCYABUOZDPGG-QUCCMNQESA-N 2 0 330.520 2.410 10 0 EEAERP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(OC)n1 ZINC000925040379 1206064184 /nfs/dbraw/zinc/06/41/84/1206064184.db2.gz JBNPQWVJWDMLCO-NVXWUHKLSA-N 2 0 332.492 2.299 10 0 EEAERP CC1(C)[C@@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925499189 1206119777 /nfs/dbraw/zinc/11/97/77/1206119777.db2.gz MOXFYRSEJHRHRB-LPOXYFBYSA-N 2 0 340.414 2.071 10 0 EEAERP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n(C)c1C ZINC000925769353 1206152478 /nfs/dbraw/zinc/15/24/78/1206152478.db2.gz PCUDNNNBCSDXNP-ROUUACIJSA-N 2 0 333.476 2.378 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000925786773 1206154135 /nfs/dbraw/zinc/15/41/35/1206154135.db2.gz UOEFAMJWCMHJJU-WBVHZDCISA-N 2 0 331.460 2.233 10 0 EEAERP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1OC ZINC000925810302 1206156531 /nfs/dbraw/zinc/15/65/31/1206156531.db2.gz DUJKVQSMYKMWHD-GJZGRUSLSA-N 2 0 335.492 2.209 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000925847176 1206159770 /nfs/dbraw/zinc/15/97/70/1206159770.db2.gz WLLSAOCODOPVNY-PZJWPPBQSA-N 2 0 344.547 2.315 10 0 EEAERP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855413 1206161227 /nfs/dbraw/zinc/16/12/27/1206161227.db2.gz PGASKOSUEGJGNP-RHSMWYFYSA-N 2 0 332.444 2.421 10 0 EEAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925859993 1206162411 /nfs/dbraw/zinc/16/24/11/1206162411.db2.gz YJABAXXLKXCTJK-GDBMZVCRSA-N 2 0 348.418 2.314 10 0 EEAERP CN1CCO[C@H]([C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000925882300 1206163682 /nfs/dbraw/zinc/16/36/82/1206163682.db2.gz KGZXOVOHAYKFBO-XFKAJCMBSA-N 2 0 337.895 2.429 10 0 EEAERP CC1(C)CN(C(=O)Nc2nc(CN3CCCCC3)cs2)C[C@@H]1[NH3+] ZINC000925915791 1206167708 /nfs/dbraw/zinc/16/77/08/1206167708.db2.gz OIXPYTBHAUWMJO-ZDUSSCGKSA-N 2 0 337.493 2.330 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1cccc2c1OCO2)C(=O)NCC[NH+](C)C ZINC000925954353 1206174000 /nfs/dbraw/zinc/17/40/00/1206174000.db2.gz MQTZPEVUODSHAE-ZBFHGGJFSA-N 2 0 349.475 2.158 10 0 EEAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000929796084 1206502823 /nfs/dbraw/zinc/50/28/23/1206502823.db2.gz ZTIVMDMVORTQSY-QFBILLFUSA-N 2 0 345.487 2.220 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000930857450 1206587963 /nfs/dbraw/zinc/58/79/63/1206587963.db2.gz DLKMCAJYONVHNM-CALCHBBNSA-N 2 0 347.503 2.206 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1C1CCC1 ZINC000931397255 1207370241 /nfs/dbraw/zinc/37/02/41/1207370241.db2.gz QGVUZBJGQQTENU-QGZVFWFLSA-N 2 0 347.507 2.096 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001490842512 1208463947 /nfs/dbraw/zinc/46/39/47/1208463947.db2.gz SULCIYGJHLJVTD-POBIDRTASA-N 2 0 331.863 2.142 10 0 EEAERP Cc1nnc(CCN2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)o1 ZINC001413050074 1219710227 /nfs/dbraw/zinc/71/02/27/1219710227.db2.gz GIEHBPDICQYMDU-PKOBYXMFSA-N 2 0 326.444 2.374 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000900538552 1234457504 /nfs/dbraw/zinc/45/75/04/1234457504.db2.gz PTJGCHVEQKEUFL-MJGOQNOKSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000900895665 1234970327 /nfs/dbraw/zinc/97/03/27/1234970327.db2.gz ALHQUAYNXIFWMQ-KRWDZBQOSA-N 2 0 327.472 2.205 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000901273942 1235464516 /nfs/dbraw/zinc/46/45/16/1235464516.db2.gz ORZKSWBVZDMSEY-DLBZAZTESA-N 2 0 327.472 2.204 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)(N2CCCCC2)CC1 ZINC000902820684 1238617530 /nfs/dbraw/zinc/61/75/30/1238617530.db2.gz DLEMKJJYJMRKRD-CENDIDJXSA-N 2 0 347.547 2.340 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902994907 1239288991 /nfs/dbraw/zinc/28/89/91/1239288991.db2.gz UAFIQYZEJRKJTI-OCBLOMHFSA-N 2 0 345.487 2.315 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1 ZINC000903432837 1240458492 /nfs/dbraw/zinc/45/84/92/1240458492.db2.gz NBARYOFWCQTCML-GOEBONIOSA-N 2 0 335.517 2.246 10 0 EEAERP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496321 1240670214 /nfs/dbraw/zinc/67/02/14/1240670214.db2.gz KAEWKUYCORMZBC-HLLBOEOZSA-N 2 0 342.487 2.132 10 0 EEAERP c1ccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722160 1241719807 /nfs/dbraw/zinc/71/98/07/1241719807.db2.gz IATADEXWXBIJJD-SLFFLAALSA-N 2 0 330.472 2.436 10 0 EEAERP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885079 1242317650 /nfs/dbraw/zinc/31/76/50/1242317650.db2.gz DBFPKJDAKXEDRZ-KRWDZBQOSA-N 2 0 330.476 2.377 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](C)COc2cccc(C)c2)cnn1C ZINC000903921607 1242508151 /nfs/dbraw/zinc/50/81/51/1242508151.db2.gz QMGFKSDERSLOSX-WBVHZDCISA-N 2 0 330.476 2.211 10 0 EEAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000903936330 1242574795 /nfs/dbraw/zinc/57/47/95/1242574795.db2.gz ZGYHNXLPJQNPDY-KVPLUYHFSA-N 2 0 337.471 2.438 10 0 EEAERP Cc1csc([C@H]2CC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903937779 1242585381 /nfs/dbraw/zinc/58/53/81/1242585381.db2.gz RDHFCFIUGQKOJW-CABCVRRESA-N 2 0 333.505 2.100 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001490960328 1258511046 /nfs/dbraw/zinc/51/10/46/1258511046.db2.gz RGLFSYIITXXHTQ-SHTZXODSSA-N 2 0 336.505 2.146 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001491027076 1258594584 /nfs/dbraw/zinc/59/45/84/1258594584.db2.gz VDZBKWRRCSRWDS-QEOPCZBJSA-N 2 0 334.291 2.417 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]CC[C@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC001491156248 1258733282 /nfs/dbraw/zinc/73/32/82/1258733282.db2.gz JRVIGZNUGKRXKG-ZWKOTPCHSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)CCCC[NH+](C)C)o1 ZINC001491273740 1258871359 /nfs/dbraw/zinc/87/13/59/1258871359.db2.gz LCEIXNVKFJNXMP-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001491281824 1258889242 /nfs/dbraw/zinc/88/92/42/1258889242.db2.gz LQESOUGRCACHNT-MOPGFXCFSA-N 2 0 344.503 2.379 10 0 EEAERP C[C@H](NC(=O)Cc1cncn1C)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001491294121 1258919005 /nfs/dbraw/zinc/91/90/05/1258919005.db2.gz BCCWCMMLLJTCSJ-HOCLYGCPSA-N 2 0 346.500 2.441 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001491347370 1258981035 /nfs/dbraw/zinc/98/10/35/1258981035.db2.gz OXXQJNBOSMYJEI-TVPLGVNVSA-N 2 0 345.487 2.177 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267893849 1276787834 /nfs/dbraw/zinc/78/78/34/1276787834.db2.gz WFZZKTHTTJUCFF-MRXNPFEDSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357517 1277197741 /nfs/dbraw/zinc/19/77/41/1277197741.db2.gz MDTQUOCPGKHBLS-SFHVURJKSA-N 2 0 329.419 2.386 10 0 EEAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001494923804 1286684775 /nfs/dbraw/zinc/68/47/75/1286684775.db2.gz ICOXIYLRTHYODP-OAHLLOKOSA-N 2 0 331.451 2.295 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001490448927 1291315973 /nfs/dbraw/zinc/31/59/73/1291315973.db2.gz IDVFTQZMHDRJSV-ULQDDVLXSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001490561197 1291459008 /nfs/dbraw/zinc/45/90/08/1291459008.db2.gz XTLJSNPZVZWBEM-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC[C@H](C)F)C2CC2)CC1 ZINC001490730920 1291638681 /nfs/dbraw/zinc/63/86/81/1291638681.db2.gz YCLMIZWCEXECJO-WMLDXEAASA-N 2 0 327.488 2.339 10 0 EEAERP Cn1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(Cl)n1 ZINC000856772312 1293628124 /nfs/dbraw/zinc/62/81/24/1293628124.db2.gz SPFGPUFVMSCPPP-UHFFFAOYSA-N 2 0 339.915 2.113 10 0 EEAERP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000862366955 1295808091 /nfs/dbraw/zinc/80/80/91/1295808091.db2.gz PSTUNRMPNZAIOR-UHFFFAOYSA-N 2 0 348.466 2.035 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncn1C ZINC001277314247 1302341991 /nfs/dbraw/zinc/34/19/91/1302341991.db2.gz OWFVVGIUHJDCNV-AEFFLSMTSA-N 2 0 349.523 2.058 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC001277335553 1302480557 /nfs/dbraw/zinc/48/05/57/1302480557.db2.gz QYWFWNBNVVEAPT-BBRMVZONSA-N 2 0 336.480 2.008 10 0 EEAERP CCOCC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001277448342 1303106506 /nfs/dbraw/zinc/10/65/06/1303106506.db2.gz ZIKVUPMYTOJBPP-UHFFFAOYSA-N 2 0 339.524 2.212 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H](C[NH2+]CCF)C1CC1 ZINC001277655149 1304108669 /nfs/dbraw/zinc/10/86/69/1304108669.db2.gz KKBBDNLJEHTUAB-DLBZAZTESA-N 2 0 325.472 2.190 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CN1C(=O)CCCC[NH+](C)C ZINC001278416465 1310167568 /nfs/dbraw/zinc/16/75/68/1310167568.db2.gz NFXGXTXSDFNBGB-YOEHRIQHSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)CCCC[NH+](C)C)CCC[C@@H]23)on1 ZINC001278467211 1310439832 /nfs/dbraw/zinc/43/98/32/1310439832.db2.gz OXCYVTBUVAAXNJ-MJGOQNOKSA-N 2 0 348.491 2.328 10 0 EEAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001278568472 1317254715 /nfs/dbraw/zinc/25/47/15/1317254715.db2.gz YJQAWBLKJNBBHU-LJQANCHMSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)CC1 ZINC001278676393 1317660542 /nfs/dbraw/zinc/66/05/42/1317660542.db2.gz GDWGYGPUFLCILA-MRXNPFEDSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCC(C)(C)C ZINC001278755090 1317981156 /nfs/dbraw/zinc/98/11/56/1317981156.db2.gz DNMSDOYHFQQGKU-DLBZAZTESA-N 2 0 341.540 2.094 10 0 EEAERP C[NH+]1CCN(c2ccccc2CNC(=[NH2+])NC2CCCCC2)CC1 ZINC001261566979 1322133934 /nfs/dbraw/zinc/13/39/34/1322133934.db2.gz MIEJMFCHZCCKFI-UHFFFAOYSA-N 2 0 329.492 2.385 10 0 EEAERP COCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001263960509 1322571539 /nfs/dbraw/zinc/57/15/39/1322571539.db2.gz JASQGGQANGTZHZ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001264122415 1322634486 /nfs/dbraw/zinc/63/44/86/1322634486.db2.gz MOWMCHWBMHWKGZ-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001264683791 1322782687 /nfs/dbraw/zinc/78/26/87/1322782687.db2.gz MASPXKJJAKTHSF-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030784 1322873633 /nfs/dbraw/zinc/87/36/33/1322873633.db2.gz JEORAQOZWSFVPL-UXBLZVDNSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1ncsc1C[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265051141 1322891890 /nfs/dbraw/zinc/89/18/90/1322891890.db2.gz ZZORCOPAITZJPL-UHFFFAOYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1nocc1C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001265173239 1322966072 /nfs/dbraw/zinc/96/60/72/1322966072.db2.gz YGOPPNWMZSSYNF-HOCLYGCPSA-N 2 0 348.491 2.184 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265226568 1322995699 /nfs/dbraw/zinc/99/56/99/1322995699.db2.gz DYELPRYJWFYVHF-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOc2c(C)cccc2C)C1 ZINC001265452383 1323162362 /nfs/dbraw/zinc/16/23/62/1323162362.db2.gz HPQDRMHDAALIAD-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]CCOCC(C)C)C2)ccc2c[nH+]cn21 ZINC001265546504 1323213754 /nfs/dbraw/zinc/21/37/54/1323213754.db2.gz PKSXOZFULROGOY-IYBDPMFKSA-N 2 0 344.459 2.166 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCOC)c1ccccc1 ZINC001265687813 1323321477 /nfs/dbraw/zinc/32/14/77/1323321477.db2.gz HNGPFBHCMWPEPE-RTBURBONSA-N 2 0 347.503 2.297 10 0 EEAERP Cc1ccc(CC[NH+](C)CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001265923682 1323489512 /nfs/dbraw/zinc/48/95/12/1323489512.db2.gz VBLJJJMZCFXSBU-GOSISDBHSA-N 2 0 331.504 2.317 10 0 EEAERP Cc1ncccc1C[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001265933896 1323498057 /nfs/dbraw/zinc/49/80/57/1323498057.db2.gz WJBSPEALHWAUAK-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001266004831 1323559043 /nfs/dbraw/zinc/55/90/43/1323559043.db2.gz LVBOBAMMSYBVJT-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001266037765 1323588467 /nfs/dbraw/zinc/58/84/67/1323588467.db2.gz XHTMUWIGEQILKM-RTBURBONSA-N 2 0 329.488 2.009 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001266039919 1323590037 /nfs/dbraw/zinc/59/00/37/1323590037.db2.gz DMTPCMZDBVGRGH-OAHLLOKOSA-N 2 0 338.883 2.013 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CC[NH2+]C/C=C\Cl)cc1 ZINC001266081192 1323638903 /nfs/dbraw/zinc/63/89/03/1323638903.db2.gz FYJHLDCOICYDRM-ZZBREXMISA-N 2 0 335.879 2.282 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CC2CCC2)cc1 ZINC001266082169 1323639994 /nfs/dbraw/zinc/63/99/94/1323639994.db2.gz XMYGALWMCWHJBB-IBGZPJMESA-N 2 0 329.488 2.329 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1cc(C)no1 ZINC001266092243 1323650978 /nfs/dbraw/zinc/65/09/78/1323650978.db2.gz NKHALIPNXZUEQS-SJLPKXTDSA-N 2 0 348.491 2.328 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1cccnc1 ZINC001266203542 1323767643 /nfs/dbraw/zinc/76/76/43/1323767643.db2.gz GKVNSTMJUAQQGS-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccon1 ZINC001266214441 1323782446 /nfs/dbraw/zinc/78/24/46/1323782446.db2.gz CRFTYGZBPOUPLN-QZTJIDSGSA-N 2 0 348.491 2.408 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001279307364 1323869775 /nfs/dbraw/zinc/86/97/75/1323869775.db2.gz FYHYINBZQUMIOL-UHFFFAOYSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1cncn1CC(=O)NCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001279599852 1323954003 /nfs/dbraw/zinc/95/40/03/1323954003.db2.gz GUOGWOPGUDRMDH-UHFFFAOYSA-N 2 0 330.476 2.376 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)co1 ZINC001280242082 1324127177 /nfs/dbraw/zinc/12/71/77/1324127177.db2.gz QOZNWOGEFAADAI-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001280263360 1324133386 /nfs/dbraw/zinc/13/33/86/1324133386.db2.gz GENYNCBEQMAJLV-GOSISDBHSA-N 2 0 341.499 2.419 10 0 EEAERP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001280732679 1324452689 /nfs/dbraw/zinc/45/26/89/1324452689.db2.gz DHXZAYQMJZSKJF-MSOLQXFVSA-N 2 0 339.499 2.439 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)CC1 ZINC001282052135 1325600212 /nfs/dbraw/zinc/60/02/12/1325600212.db2.gz BIHXVUGYBKXZAV-UHFFFAOYSA-N 2 0 343.515 2.445 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001283051355 1325901188 /nfs/dbraw/zinc/90/11/88/1325901188.db2.gz IALMQYGGOBGTRY-MGPQQGTHSA-N 2 0 335.414 2.298 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cncn1C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001283248151 1325970390 /nfs/dbraw/zinc/97/03/90/1325970390.db2.gz LRKIBVPSIJFNAN-IRXDYDNUSA-N 2 0 349.523 2.059 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCCC(F)(F)F ZINC001283611738 1326162064 /nfs/dbraw/zinc/16/20/64/1326162064.db2.gz KAUVJRBCGVAMAU-UKRRQHHQSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027334 1326369129 /nfs/dbraw/zinc/36/91/29/1326369129.db2.gz UNVSMQZTHURGTL-FUHWJXTLSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCF)[C@@H]3C2)CC1 ZINC001284094881 1326403857 /nfs/dbraw/zinc/40/38/57/1326403857.db2.gz BSURUASSZHBWJH-KSZLIROESA-N 2 0 339.499 2.295 10 0 EEAERP CCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001491892568 1330292445 /nfs/dbraw/zinc/29/24/45/1330292445.db2.gz WAVCQOZHVOYVJI-IAGOWNOFSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCc1ccccc1 ZINC001492024266 1330450967 /nfs/dbraw/zinc/45/09/67/1330450967.db2.gz OBGVAKGROGWBQY-LPHOPBHVSA-N 2 0 329.488 2.055 10 0 EEAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001492078193 1330985319 /nfs/dbraw/zinc/98/53/19/1330985319.db2.gz PJRFPKDRDSZTPC-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001492157049 1331020480 /nfs/dbraw/zinc/02/04/80/1331020480.db2.gz JGIPIZLXMSTARV-KRWDZBQOSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1conc1C)[NH+](C)C 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CRECPQHFOJLSOI-MRXNPFEDSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001317078688 1332071484 /nfs/dbraw/zinc/07/14/84/1332071484.db2.gz QCLFPRWIRFQICM-BZSNNMDCSA-N 2 0 347.528 2.259 10 0 EEAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317177538 1332116038 /nfs/dbraw/zinc/11/60/38/1332116038.db2.gz VLKGANXTGHOMJR-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N1CC[C@H]([NH2+]CCCc2ccccc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001317308591 1332173501 /nfs/dbraw/zinc/17/35/01/1332173501.db2.gz MAZWLQFRNNUKKU-FPOVZHCZSA-N 2 0 341.499 2.296 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001317365683 1332196959 /nfs/dbraw/zinc/19/69/59/1332196959.db2.gz ZEJHDYWPUVLICO-QZTJIDSGSA-N 2 0 332.492 2.331 10 0 EEAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001317406003 1332216298 /nfs/dbraw/zinc/21/62/98/1332216298.db2.gz NULIJZSXWHUVEK-OCCSQVGLSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H]2CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001317433547 1332237354 /nfs/dbraw/zinc/23/73/54/1332237354.db2.gz FSOUGUHGVOVCNR-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+](CCCCCF)C1)C12CCC[NH+]1CCC2 ZINC001317527846 1332284390 /nfs/dbraw/zinc/28/43/90/1332284390.db2.gz QZZDCXMJRZBGFC-MRXNPFEDSA-N 2 0 325.472 2.193 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+](CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001317529246 1332285517 /nfs/dbraw/zinc/28/55/17/1332285517.db2.gz VTBGROOYPGCKLB-KRWDZBQOSA-N 2 0 339.499 2.440 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317972371 1332454266 /nfs/dbraw/zinc/45/42/66/1332454266.db2.gz DXVVPNHTHRKNQX-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001318445580 1332537056 /nfs/dbraw/zinc/53/70/56/1332537056.db2.gz NGOXFPRFERCBTK-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP CC(C)COCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001319375062 1332692191 /nfs/dbraw/zinc/69/21/91/1332692191.db2.gz QVXSZCJTTFZQAD-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CCCCC1 ZINC001319654186 1332735113 /nfs/dbraw/zinc/73/51/13/1332735113.db2.gz DERHDNFXXXPFES-IAGOWNOFSA-N 2 0 327.488 2.485 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001319794556 1332770209 /nfs/dbraw/zinc/77/02/09/1332770209.db2.gz YQDQUWKOHVUVDP-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001320447733 1332886039 /nfs/dbraw/zinc/88/60/39/1332886039.db2.gz SVVDMTPDARBFJH-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320529233 1332903613 /nfs/dbraw/zinc/90/36/13/1332903613.db2.gz LFTHQFDGYKJHDV-VYDXJSESSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320633702 1332926016 /nfs/dbraw/zinc/92/60/16/1332926016.db2.gz KANXSTQEWMTTIM-GXTWGEPZSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320770534 1332949643 /nfs/dbraw/zinc/94/96/43/1332949643.db2.gz ZDQOUNKXCDZEER-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001320827378 1332961070 /nfs/dbraw/zinc/96/10/70/1332961070.db2.gz VRKRSAVVEBETIK-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP CCN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320928656 1332980728 /nfs/dbraw/zinc/98/07/28/1332980728.db2.gz LEEVBIAORPKNLG-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C1CC1 ZINC001320996426 1332993476 /nfs/dbraw/zinc/99/34/76/1332993476.db2.gz DVATWIDYGIQRDD-HMECNJMJSA-N 2 0 327.472 2.420 10 0 EEAERP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001324833128 1333769241 /nfs/dbraw/zinc/76/92/41/1333769241.db2.gz LKVKFKHXBNQUIR-ZGRWHYIRSA-N 2 0 327.900 2.443 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2C)C1)[NH+](C)C ZINC001326364745 1334076927 /nfs/dbraw/zinc/07/69/27/1334076927.db2.gz MYCDNBPZYGIEKA-AEFFLSMTSA-N 2 0 332.492 2.058 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC001326433771 1334093506 /nfs/dbraw/zinc/09/35/06/1334093506.db2.gz YMGJCDHAZKKBQQ-RBUKOAKNSA-N 2 0 347.478 2.436 10 0 EEAERP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001327033557 1334207605 /nfs/dbraw/zinc/20/76/05/1334207605.db2.gz CPHDHZUWPMSMDY-IWAYRVGRSA-N 2 0 339.524 2.138 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1 ZINC001327657169 1334329128 /nfs/dbraw/zinc/32/91/28/1334329128.db2.gz YHPNPCKGCRHZHD-UHFFFAOYSA-N 2 0 327.513 2.019 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001328099370 1334395790 /nfs/dbraw/zinc/39/57/90/1334395790.db2.gz UQGQUCMHYTZUPU-QGZVFWFLSA-N 2 0 341.540 2.216 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001329532904 1334669336 /nfs/dbraw/zinc/66/93/36/1334669336.db2.gz SFHJVOKKVTUUMA-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)OCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001329802634 1334717568 /nfs/dbraw/zinc/71/75/68/1334717568.db2.gz GMXRJMHLTAPMJZ-KRWDZBQOSA-N 2 0 339.524 2.304 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001330432125 1334843544 /nfs/dbraw/zinc/84/35/44/1334843544.db2.gz VZQFMQRDZNPNPX-DLBZAZTESA-N 2 0 341.540 2.360 10 0 EEAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001330431647 1334843564 /nfs/dbraw/zinc/84/35/64/1334843564.db2.gz UQDWCFITZTYKGR-FUHWJXTLSA-N 2 0 349.519 2.034 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001330700144 1334888827 /nfs/dbraw/zinc/88/88/27/1334888827.db2.gz JVZOMSAIZMPTSB-OZPKTQTBSA-N 2 0 327.472 2.136 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001330707599 1334889340 /nfs/dbraw/zinc/88/93/40/1334889340.db2.gz FUXPMVHZONGJND-WGSAOQKQSA-N 2 0 331.504 2.362 10 0 EEAERP C[N@H+](CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCF)C1)C1CCCCC1 ZINC001332293197 1335794066 /nfs/dbraw/zinc/79/40/66/1335794066.db2.gz OYSKMOAOUWHPBM-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCc3cccs3)CC2)C1 ZINC001333406619 1336037003 /nfs/dbraw/zinc/03/70/03/1336037003.db2.gz NELZCOWYZWWGOS-MRXNPFEDSA-N 2 0 347.528 2.381 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000847660113 1338236711 /nfs/dbraw/zinc/23/67/11/1338236711.db2.gz IRSFMHORMVSPLB-MRXNPFEDSA-N 2 0 344.503 2.497 10 0 EEAERP CO[C@H](C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC001445061318 1342078978 /nfs/dbraw/zinc/07/89/78/1342078978.db2.gz KZWYMISHCMRYTD-PKOBYXMFSA-N 2 0 347.503 2.106 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001500258399 1342116452 /nfs/dbraw/zinc/11/64/52/1342116452.db2.gz SFRMASUULXFGSX-ROUUACIJSA-N 2 0 325.472 2.190 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001500258400 1342116581 /nfs/dbraw/zinc/11/65/81/1342116581.db2.gz SFRMASUULXFGSX-ZWKOTPCHSA-N 2 0 325.472 2.190 10 0 EEAERP CCOCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001500368105 1342181058 /nfs/dbraw/zinc/18/10/58/1342181058.db2.gz OIRHGECYKFIPMS-IBGZPJMESA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001567504776 1342774532 /nfs/dbraw/zinc/77/45/32/1342774532.db2.gz WKBHNNMGMSOIDK-SFHVURJKSA-N 2 0 333.476 2.118 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001568775855 1342853960 /nfs/dbraw/zinc/85/39/60/1342853960.db2.gz NUFDWWUPOPAZHS-INIZCTEOSA-N 2 0 327.419 2.243 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001570022554 1343001974 /nfs/dbraw/zinc/00/19/74/1343001974.db2.gz WMLAOQLPECWQQZ-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)OCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001570109933 1343013224 /nfs/dbraw/zinc/01/32/24/1343013224.db2.gz YCHUMHMIGYAQSA-UHFFFAOYSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001570514411 1343077925 /nfs/dbraw/zinc/07/79/25/1343077925.db2.gz YIPOVDDHBMNUEO-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001571459403 1343212865 /nfs/dbraw/zinc/21/28/65/1343212865.db2.gz DCKCDLAGCBZFDQ-DOTOQJQBSA-N 2 0 339.443 2.426 10 0 EEAERP CCOCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001571644485 1343259737 /nfs/dbraw/zinc/25/97/37/1343259737.db2.gz SKPUFWDIKAQQKN-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001676423657 1357148457 /nfs/dbraw/zinc/14/84/57/1357148457.db2.gz IUWOOUTTXLCVIY-ZWKOTPCHSA-N 2 0 347.503 2.152 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001676852897 1357220823 /nfs/dbraw/zinc/22/08/23/1357220823.db2.gz FZNODQZELIMVPL-RCCFBDPRSA-N 2 0 339.499 2.439 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001676957897 1357248697 /nfs/dbraw/zinc/24/86/97/1357248697.db2.gz FBPGSEBGJUEZGA-MSOLQXFVSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC001677033238 1357266479 /nfs/dbraw/zinc/26/64/79/1357266479.db2.gz VPJHXGWTTWZUAA-QGZVFWFLSA-N 2 0 332.492 2.140 10 0 EEAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001649448530 1353510458 /nfs/dbraw/zinc/51/04/58/1353510458.db2.gz GBBAUEOXQYTVRY-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001649462867 1353519418 /nfs/dbraw/zinc/51/94/18/1353519418.db2.gz FUEFOBKXDMJHHV-QWHCGFSZSA-N 2 0 348.318 2.151 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001656153939 1354208580 /nfs/dbraw/zinc/20/85/80/1354208580.db2.gz RKPZPWXIHXMRLP-GASCZTMLSA-N 2 0 338.883 2.061 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCCCOC ZINC001656734101 1354270110 /nfs/dbraw/zinc/27/01/10/1354270110.db2.gz RWUNRVKFERCXGN-XLAORIBOSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCCCF)CC[C@@H]3C2)CC[N@@H+]1C ZINC001656809873 1354280555 /nfs/dbraw/zinc/28/05/55/1354280555.db2.gz CINXTVWNTDFWNT-ZJPYXAASSA-N 2 0 339.499 2.247 10 0 EEAERP CCC[N@H+](C)CCOCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001656871175 1354289068 /nfs/dbraw/zinc/28/90/68/1354289068.db2.gz LQTZHAREVVFLRU-GOSISDBHSA-N 2 0 345.503 2.016 10 0 EEAERP CC(C)CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001657091107 1354321387 /nfs/dbraw/zinc/32/13/87/1354321387.db2.gz FMCXTLJEQKUJQK-UHFFFAOYSA-N 2 0 338.521 2.115 10 0 EEAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001660207484 1354417159 /nfs/dbraw/zinc/41/71/59/1354417159.db2.gz BUWOIWIVTXZWLC-KURKYZTESA-N 2 0 333.520 2.489 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2cnccc2C)C1 ZINC001660272156 1354428172 /nfs/dbraw/zinc/42/81/72/1354428172.db2.gz FGERSKSFFDRIQT-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001660281352 1354430398 /nfs/dbraw/zinc/43/03/98/1354430398.db2.gz AQILDPJOKJIZQN-GOSISDBHSA-N 2 0 329.488 2.454 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)C1)[NH+](C)C ZINC001661436475 1354638821 /nfs/dbraw/zinc/63/88/21/1354638821.db2.gz DCAZRDKNUXFKTK-BZSNNMDCSA-N 2 0 339.524 2.016 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554810 1354657249 /nfs/dbraw/zinc/65/72/49/1354657249.db2.gz GKLQRHFWNAYJFA-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001661818123 1354702247 /nfs/dbraw/zinc/70/22/47/1354702247.db2.gz JBFXBAQFRYSNEH-HKUYNNGSSA-N 2 0 347.503 2.234 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001661861280 1354711724 /nfs/dbraw/zinc/71/17/24/1354711724.db2.gz KPKUCRXDEUSGJX-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001662649010 1354819654 /nfs/dbraw/zinc/81/96/54/1354819654.db2.gz DATOSIVSYDHBIV-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001662766322 1354841373 /nfs/dbraw/zinc/84/13/73/1354841373.db2.gz ICXOCZXUFJOSFV-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP CN1CCO[C@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001663039473 1354900327 /nfs/dbraw/zinc/90/03/27/1354900327.db2.gz LPGJLHYNZYBDST-OALUTQOASA-N 2 0 349.519 2.178 10 0 EEAERP Cc1ccncc1C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634382 1355006653 /nfs/dbraw/zinc/00/66/53/1355006653.db2.gz SCKBCHHBDRJVRI-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP CN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)C[NH+]1CCCC1 ZINC001664369928 1355148148 /nfs/dbraw/zinc/14/81/48/1355148148.db2.gz QMDKPMQBZJZBFB-UHFFFAOYSA-N 2 0 327.831 2.123 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cncn1C ZINC001664557385 1355193347 /nfs/dbraw/zinc/19/33/47/1355193347.db2.gz AWDZFKMVBGCPLS-CALCHBBNSA-N 2 0 349.523 2.010 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976763 1355626174 /nfs/dbraw/zinc/62/61/74/1355626174.db2.gz KYPZQZCGVPSLOI-SDMNGIDPSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001667019445 1355633908 /nfs/dbraw/zinc/63/39/08/1355633908.db2.gz YSFBZSZRXUZONC-INIZCTEOSA-N 2 0 337.533 2.459 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001667279869 1355697511 /nfs/dbraw/zinc/69/75/11/1355697511.db2.gz ZOUOYSUNGFKHEZ-GOSISDBHSA-N 2 0 332.492 2.284 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001667285794 1355699243 /nfs/dbraw/zinc/69/92/43/1355699243.db2.gz VDFYSMGAGPZFNV-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001669039942 1356075340 /nfs/dbraw/zinc/07/53/40/1356075340.db2.gz RNYLOHOQZZWZHQ-BDUNBXCCSA-N 2 0 345.487 2.107 10 0 EEAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001672334446 1356503187 /nfs/dbraw/zinc/50/31/87/1356503187.db2.gz OYFBBUVEIZYWBV-GJZGRUSLSA-N 2 0 349.441 2.499 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672521319 1356543483 /nfs/dbraw/zinc/54/34/83/1356543483.db2.gz CFSLSZLKDJKONW-KURKYZTESA-N 2 0 339.524 2.207 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001673342096 1356669938 /nfs/dbraw/zinc/66/99/38/1356669938.db2.gz JKOLTTWXLHNZHP-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001690621142 1404931067 /nfs/dbraw/zinc/93/10/67/1404931067.db2.gz NSCAHANFSNIHOZ-CRAIPNDOSA-N 2 0 347.503 2.118 10 0 EEAERP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001698701494 1405018612 /nfs/dbraw/zinc/01/86/12/1405018612.db2.gz QNIONFAMMHUYJD-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698771789 1405052633 /nfs/dbraw/zinc/05/26/33/1405052633.db2.gz QDVRXYSYQAFBFV-QWHCGFSZSA-N 2 0 348.318 2.008 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001698856518 1405113763 /nfs/dbraw/zinc/11/37/63/1405113763.db2.gz LFCYGPVGMYUWPG-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001698861020 1405116652 /nfs/dbraw/zinc/11/66/52/1405116652.db2.gz RMQAYLHXHHXNDI-WMZOPIPTSA-N 2 0 347.503 2.016 10 0 EEAERP COCCCCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001698896906 1405137273 /nfs/dbraw/zinc/13/72/73/1405137273.db2.gz CPBDYDCXQVFGHX-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106867 1405261883 /nfs/dbraw/zinc/26/18/83/1405261883.db2.gz PLHZUBVICXUMBY-QAPCUYQASA-N 2 0 348.491 2.374 10 0 EEAERP CSC1(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)CC[NH+](C)CC1 ZINC000819322456 785506608 /nfs/dbraw/zinc/50/66/08/785506608.db2.gz UAOULJBYKKSKNE-OAHLLOKOSA-N 2 0 330.444 2.415 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921527161 789025319 /nfs/dbraw/zinc/02/53/19/789025319.db2.gz LYKMWRBNYGJBBQ-UHFFFAOYSA-N 2 0 330.520 2.468 10 0 EEAERP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000923388046 789484044 /nfs/dbraw/zinc/48/40/44/789484044.db2.gz MZSYHWNPRFQJKL-MOPGFXCFSA-N 2 0 332.488 2.446 10 0 EEAERP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923399257 789498832 /nfs/dbraw/zinc/49/88/32/789498832.db2.gz CQSVLLFSJLTSNJ-SKRHZPJPSA-N 2 0 339.277 2.478 10 0 EEAERP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455423 789571678 /nfs/dbraw/zinc/57/16/78/789571678.db2.gz LQHRQHVBNCZXMO-SJLPKXTDSA-N 2 0 345.487 2.036 10 0 EEAERP CCOc1ccc(OCC[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923455835 789572077 /nfs/dbraw/zinc/57/20/77/789572077.db2.gz NBESXTYAWYHDRP-SFHVURJKSA-N 2 0 334.460 2.294 10 0 EEAERP CC(C)N(C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923458211 789575680 /nfs/dbraw/zinc/57/56/80/789575680.db2.gz NBTQRNNTLVAWRA-SFHVURJKSA-N 2 0 345.487 2.258 10 0 EEAERP Clc1cc(Br)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460157 789593582 /nfs/dbraw/zinc/59/35/82/789593582.db2.gz BHXZTCIIXLQWQH-UHFFFAOYSA-N 2 0 332.673 2.097 10 0 EEAERP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)ccc12 ZINC000923498027 789673698 /nfs/dbraw/zinc/67/36/98/789673698.db2.gz NGVYLQLOKLABQI-HUUCEWRRSA-N 2 0 330.428 2.397 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@H]1C[NH3+] ZINC000923505050 789689532 /nfs/dbraw/zinc/68/95/32/789689532.db2.gz XDGQVPZLCFISON-NEPJUHHUSA-N 2 0 327.375 2.143 10 0 EEAERP COC(=O)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)[C@H]([C@@H]2CCCO2)C1 ZINC000923556824 789775322 /nfs/dbraw/zinc/77/53/22/789775322.db2.gz XZXHGWLXGKXLRK-SQNIBIBYSA-N 2 0 338.492 2.199 10 0 EEAERP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000713350414 794562243 /nfs/dbraw/zinc/56/22/43/794562243.db2.gz VMIZEBULTABWDB-RMJJICAUSA-N 2 0 327.472 2.237 10 0 EEAERP CN1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1=O ZINC000716651596 796404930 /nfs/dbraw/zinc/40/49/30/796404930.db2.gz QXTLUSSEPVOOPZ-VJANTYMQSA-N 2 0 327.472 2.250 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921848112 797202879 /nfs/dbraw/zinc/20/28/79/797202879.db2.gz GLFVBQYXSNJZOL-OGWHTMIXSA-N 2 0 344.503 2.289 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccns1 ZINC000925441571 798308294 /nfs/dbraw/zinc/30/82/94/798308294.db2.gz RSFJOUOTOBZFLI-ZDUSSCGKSA-N 2 0 332.473 2.285 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCOC(C)C ZINC001566025561 1125502388 /nfs/dbraw/zinc/50/23/88/1125502388.db2.gz QMAOMUVIGYVJNR-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCOC)C2)C1 ZINC001566072090 1125545366 /nfs/dbraw/zinc/54/53/66/1125545366.db2.gz QIAUZFQQSTWMPD-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cnccn1 ZINC001566497997 1125664978 /nfs/dbraw/zinc/66/49/78/1125664978.db2.gz PAKMRXARNMGDTA-WMZOPIPTSA-N 2 0 347.507 2.239 10 0 EEAERP O=C(NCCC[N@@H+](C/C=C\Cl)C1CC1)C12CCC[NH+]1CCC2 ZINC001566592615 1125784097 /nfs/dbraw/zinc/78/40/97/1125784097.db2.gz TWQPTCCIKPUNIM-OQFOIZHKSA-N 2 0 325.884 2.338 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)C1 ZINC001436405959 1087753542 /nfs/dbraw/zinc/75/35/42/1087753542.db2.gz WPOIBPZEDTVJTP-SAABIXHNSA-N 2 0 346.519 2.077 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC4CC4)[C@@H]3C2(C)C)CC1 ZINC001436438345 1087826161 /nfs/dbraw/zinc/82/61/61/1087826161.db2.gz CVWFAVZFMVBYFL-ZACQAIPSSA-N 2 0 333.520 2.343 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001436474397 1087940452 /nfs/dbraw/zinc/94/04/52/1087940452.db2.gz HGRWIBYJSOXNDR-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CCc3ccccc3)C2)C1 ZINC001436968204 1088661027 /nfs/dbraw/zinc/66/10/27/1088661027.db2.gz QXXMYRUBXKOALN-WHUJAJFLSA-N 2 0 343.515 2.444 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCc4ccccc43)C2)CC1 ZINC001437308827 1089466582 /nfs/dbraw/zinc/46/65/82/1089466582.db2.gz GYVUXOVDWHGTGE-QFBILLFUSA-N 2 0 341.499 2.454 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001437385534 1089636419 /nfs/dbraw/zinc/63/64/19/1089636419.db2.gz XXKQKDOFZSLDOX-KDOFPFPSSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)s1 ZINC001437400605 1089662648 /nfs/dbraw/zinc/66/26/48/1089662648.db2.gz XAHZNLCFWRRZLQ-WBMJQRKESA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1 ZINC001437413553 1089695521 /nfs/dbraw/zinc/69/55/21/1089695521.db2.gz YSKAYQZZFOQTAO-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC001437567799 1090050030 /nfs/dbraw/zinc/05/00/30/1090050030.db2.gz ZFIHSQCXYXFHSZ-IYBDPMFKSA-N 2 0 333.476 2.116 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCc3ccccc3F)C2)C1 ZINC001437725934 1090280776 /nfs/dbraw/zinc/28/07/76/1090280776.db2.gz KIQHJNZASUOODK-DLBZAZTESA-N 2 0 347.478 2.148 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccn2)C1)[NH+](CC)CC ZINC001437728951 1090283753 /nfs/dbraw/zinc/28/37/53/1090283753.db2.gz ROBYPNBNHNPXLI-AEFFLSMTSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC001437743682 1090307542 /nfs/dbraw/zinc/30/75/42/1090307542.db2.gz XHNMILWHCSYXBW-KWEPMOPPSA-N 2 0 329.488 2.478 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1cccnc1C ZINC001437754575 1090322921 /nfs/dbraw/zinc/32/29/21/1090322921.db2.gz SABGCFSWHKKFNC-IBGZPJMESA-N 2 0 344.503 2.060 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437980193 1090572959 /nfs/dbraw/zinc/57/29/59/1090572959.db2.gz UDJHNWCJJBLJCO-ZIAGYGMSSA-N 2 0 335.414 2.203 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(CF)cc1 ZINC001438293744 1090775131 /nfs/dbraw/zinc/77/51/31/1090775131.db2.gz GBKWHPCNIWJUNC-ZTFGCOKTSA-N 2 0 335.467 2.481 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438422618 1090917841 /nfs/dbraw/zinc/91/78/41/1090917841.db2.gz UACATTRCWOQABL-ZUEVXXBESA-N 2 0 348.491 2.088 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001438430607 1090929776 /nfs/dbraw/zinc/92/97/76/1090929776.db2.gz BTFWTEUCQNGBOR-XLIONFOSSA-N 2 0 346.519 2.496 10 0 EEAERP CC(C)c1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001445394994 1091140363 /nfs/dbraw/zinc/14/03/63/1091140363.db2.gz ONDRTVPITFSEMD-QAPCUYQASA-N 2 0 332.492 2.284 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001438715200 1091235587 /nfs/dbraw/zinc/23/55/87/1091235587.db2.gz QCRRROJLYFHHRP-CYBMUJFWSA-N 2 0 327.419 2.242 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(C(F)F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445495082 1091271396 /nfs/dbraw/zinc/27/13/96/1091271396.db2.gz BORGWNMMPRXVNV-IUODEOHRSA-N 2 0 325.403 2.170 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001438760777 1091328866 /nfs/dbraw/zinc/32/88/66/1091328866.db2.gz ALLQNNNALMMRQJ-CRAIPNDOSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC001438765170 1091340693 /nfs/dbraw/zinc/34/06/93/1091340693.db2.gz DPJMLVFSOMBSRW-BBRMVZONSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccncc1Cl ZINC001438837320 1091464656 /nfs/dbraw/zinc/46/46/56/1091464656.db2.gz GCFSDJVNUHLIJO-INIZCTEOSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438847926 1091485284 /nfs/dbraw/zinc/48/52/84/1091485284.db2.gz QBCOVFAJXMJLAS-JKSUJKDBSA-N 2 0 348.491 2.042 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2coc(C)n2)C1 ZINC001438852599 1091490016 /nfs/dbraw/zinc/49/00/16/1091490016.db2.gz RDSCJROMYQSFKM-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](C[N@H+](C)Cc1cccc(N(C)C)c1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445776626 1091642109 /nfs/dbraw/zinc/64/21/09/1091642109.db2.gz ZDISETKLMZKLKG-VQIMIIECSA-N 2 0 346.519 2.173 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001439063555 1091708635 /nfs/dbraw/zinc/70/86/35/1091708635.db2.gz FJLWPAXTARPYIQ-WBVHZDCISA-N 2 0 347.507 2.062 10 0 EEAERP COc1cc(C[N@H+](C)C[C@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)ccc1C ZINC001445848866 1091758340 /nfs/dbraw/zinc/75/83/40/1091758340.db2.gz FWRHMGNUOFRACY-FUHWJXTLSA-N 2 0 347.503 2.282 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001445871419 1091796308 /nfs/dbraw/zinc/79/63/08/1091796308.db2.gz PUIABDAXHJHCIC-LPHOPBHVSA-N 2 0 331.504 2.180 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001439248864 1091898581 /nfs/dbraw/zinc/89/85/81/1091898581.db2.gz FHGRJBDLXHSEBH-HDMKZQKVSA-N 2 0 335.492 2.437 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001445974846 1091931666 /nfs/dbraw/zinc/93/16/66/1091931666.db2.gz AXFIUUUJZLLWLY-CRAIPNDOSA-N 2 0 348.491 2.232 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC001439364260 1092085460 /nfs/dbraw/zinc/08/54/60/1092085460.db2.gz MXXIDXQINNKFFF-QAPCUYQASA-N 2 0 332.492 2.119 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001439461811 1092242829 /nfs/dbraw/zinc/24/28/29/1092242829.db2.gz HLUBMKARZJGGID-HOTGVXAUSA-N 2 0 343.462 2.391 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C2CC2)c1 ZINC001439462902 1092243728 /nfs/dbraw/zinc/24/37/28/1092243728.db2.gz SCVPGCDEZSCPGD-RTBURBONSA-N 2 0 344.503 2.247 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001439498894 1092334013 /nfs/dbraw/zinc/33/40/13/1092334013.db2.gz QOPXLKYUVHCTJJ-QZTJIDSGSA-N 2 0 348.466 2.080 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001446243259 1092358463 /nfs/dbraw/zinc/35/84/63/1092358463.db2.gz SOYGFTAVOLNZJV-JQHSSLGASA-N 2 0 347.478 2.318 10 0 EEAERP O=C(NCC1([NH2+]CC2CC(F)(F)C2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001446248773 1092369333 /nfs/dbraw/zinc/36/93/33/1092369333.db2.gz BZLMMTNIHBWOGL-HUUCEWRRSA-N 2 0 341.446 2.287 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001446279201 1092430899 /nfs/dbraw/zinc/43/08/99/1092430899.db2.gz SWAPKEYOYMXANI-QGZVFWFLSA-N 2 0 331.435 2.147 10 0 EEAERP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)COC)[NH+](CC)CC ZINC001446323619 1092517503 /nfs/dbraw/zinc/51/75/03/1092517503.db2.gz SGCLGURSBKXYGH-BDXSIMOUSA-N 2 0 339.524 2.207 10 0 EEAERP CCCC[N@H+](CCOC)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001439693663 1092643987 /nfs/dbraw/zinc/64/39/87/1092643987.db2.gz SJBXAIQFEITZFB-UHFFFAOYSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001439702465 1092657615 /nfs/dbraw/zinc/65/76/15/1092657615.db2.gz CYLFCYKTTXIKEL-LJQANCHMSA-N 2 0 348.491 2.138 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC001439703413 1092659134 /nfs/dbraw/zinc/65/91/34/1092659134.db2.gz DOQQOJWCGTWBEX-UHFFFAOYSA-N 2 0 343.515 2.495 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1conc1C)[NH+](CC)CC ZINC001439786284 1092744389 /nfs/dbraw/zinc/74/43/89/1092744389.db2.gz YQVHLABCCPITOB-SJORKVTESA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](Cc2ccccn2)CC1 ZINC001439794696 1092751752 /nfs/dbraw/zinc/75/17/52/1092751752.db2.gz QIUWZZZIFKMQDB-SFHVURJKSA-N 2 0 344.503 2.427 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC001439801053 1092757650 /nfs/dbraw/zinc/75/76/50/1092757650.db2.gz ARRVYYKQDJBZIZ-UHFFFAOYSA-N 2 0 349.523 2.061 10 0 EEAERP COC[C@@H](C)[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001439910257 1092978008 /nfs/dbraw/zinc/97/80/08/1092978008.db2.gz AYIKBSKTXJLHIA-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001439932252 1093016646 /nfs/dbraw/zinc/01/66/46/1093016646.db2.gz DTCGRYBMMLRBQQ-BJZITVGISA-N 2 0 348.491 2.042 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001440126060 1093187632 /nfs/dbraw/zinc/18/76/32/1093187632.db2.gz HQGQEGMCHLSEAM-MUJYYYPQSA-N 2 0 348.516 2.098 10 0 EEAERP CCc1nocc1C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001440196294 1093264342 /nfs/dbraw/zinc/26/43/42/1093264342.db2.gz UDPSWKVPPJXHTQ-MSOLQXFVSA-N 2 0 348.491 2.144 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)s1 ZINC001440268067 1093378484 /nfs/dbraw/zinc/37/84/84/1093378484.db2.gz PYDVVCPGNGOKKM-OAHLLOKOSA-N 2 0 338.521 2.182 10 0 EEAERP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448424343 1093435899 /nfs/dbraw/zinc/43/58/99/1093435899.db2.gz BEVQUVJPXNVEHH-OKYOBFRVSA-N 2 0 329.488 2.383 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001448529519 1093563457 /nfs/dbraw/zinc/56/34/57/1093563457.db2.gz LQELYIKJQKNNOB-SAZUREKKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cnc([C@@H](C)[N@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)cn1 ZINC001448535426 1093572507 /nfs/dbraw/zinc/57/25/07/1093572507.db2.gz NTWCAUFNXFLRFM-MRXNPFEDSA-N 2 0 347.507 2.111 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[NH+]3CCC(C)CC3)C2)co1 ZINC001440404915 1093594158 /nfs/dbraw/zinc/59/41/58/1093594158.db2.gz KDYMHEJLJCZOSI-DLBZAZTESA-N 2 0 348.491 2.089 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCOC1CCC1 ZINC001440463973 1093684436 /nfs/dbraw/zinc/68/44/36/1093684436.db2.gz OUIVYTSZBKWXRU-ZWKOTPCHSA-N 2 0 337.508 2.009 10 0 EEAERP CCC1([NH2+]Cc2c(C)noc2C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001440539019 1093805570 /nfs/dbraw/zinc/80/55/70/1093805570.db2.gz MWZVGINISQVUKP-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001440613481 1093880550 /nfs/dbraw/zinc/88/05/50/1093880550.db2.gz PPWZOBDTDZNXMS-UHFFFAOYSA-N 2 0 348.491 2.330 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2c3ccccc3CC[NH+]2CC2CC2)C1 ZINC001440690839 1093942902 /nfs/dbraw/zinc/94/29/02/1093942902.db2.gz QZSKHQPLTFMVON-OXJNMPFZSA-N 2 0 341.499 2.454 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(F)cccc2F)[C@@H]1C ZINC001448982307 1093985746 /nfs/dbraw/zinc/98/57/46/1093985746.db2.gz XZTZFVPVZIKMED-SUMWQHHRSA-N 2 0 339.430 2.384 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnoc3C)[C@@H]2C1 ZINC001449026372 1094033884 /nfs/dbraw/zinc/03/38/84/1094033884.db2.gz BHARVMFWJDNMMS-CGTJXYLNSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001440797620 1094038841 /nfs/dbraw/zinc/03/88/41/1094038841.db2.gz HWSFEEOSKZIHSE-ZIAGYGMSSA-N 2 0 348.491 2.150 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440824282 1094077947 /nfs/dbraw/zinc/07/79/47/1094077947.db2.gz BEPNFCBSIQWIKI-KGLIPLIRSA-N 2 0 338.471 2.181 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1sccc1Cl ZINC001440828728 1094081233 /nfs/dbraw/zinc/08/12/33/1094081233.db2.gz CNPLEJRSSILFHU-RYUDHWBXSA-N 2 0 341.908 2.480 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC001449094314 1094104901 /nfs/dbraw/zinc/10/49/01/1094104901.db2.gz XIPLAYUNVYABJG-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001440857223 1094117548 /nfs/dbraw/zinc/11/75/48/1094117548.db2.gz KNDLACADSNIOEP-HUUCEWRRSA-N 2 0 333.476 2.040 10 0 EEAERP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001440926201 1094179104 /nfs/dbraw/zinc/17/91/04/1094179104.db2.gz RCHRTMFQFUROMM-SUMWQHHRSA-N 2 0 335.517 2.335 10 0 EEAERP Cc1ccc(CC[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001440940905 1094193584 /nfs/dbraw/zinc/19/35/84/1094193584.db2.gz YHKRTEZCXYAHLN-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccnc1 ZINC001440981842 1094244599 /nfs/dbraw/zinc/24/45/99/1094244599.db2.gz DDYZQGMIJJXNTP-WMZOPIPTSA-N 2 0 332.492 2.281 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccnc1 ZINC001440981834 1094245398 /nfs/dbraw/zinc/24/53/98/1094245398.db2.gz DDYZQGMIJJXNTP-SJLPKXTDSA-N 2 0 332.492 2.281 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001441027119 1094315201 /nfs/dbraw/zinc/31/52/01/1094315201.db2.gz QMLUCZNCPRZJGM-RDTXWAMCSA-N 2 0 333.451 2.345 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC(C)C)C1 ZINC001449364811 1094330363 /nfs/dbraw/zinc/33/03/63/1094330363.db2.gz FSOITGIHEOZZBY-ZIAGYGMSSA-N 2 0 337.430 2.353 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441163918 1094513050 /nfs/dbraw/zinc/51/30/50/1094513050.db2.gz RYRLEKXDAOBTIV-ZIAGYGMSSA-N 2 0 343.462 2.343 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001441238349 1094622519 /nfs/dbraw/zinc/62/25/19/1094622519.db2.gz QOPSGUJIHRPLHB-QAPCUYQASA-N 2 0 348.491 2.232 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CC1 ZINC001441254516 1094652396 /nfs/dbraw/zinc/65/23/96/1094652396.db2.gz JVRIMNZMKZBCAE-CVEARBPZSA-N 2 0 343.462 2.392 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001441257537 1094656206 /nfs/dbraw/zinc/65/62/06/1094656206.db2.gz SRXRJXFAVZRQRP-KRWDZBQOSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001441295739 1094735216 /nfs/dbraw/zinc/73/52/16/1094735216.db2.gz DIKRIAKTTIUFLN-MKXGPGLRSA-N 2 0 333.520 2.345 10 0 EEAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441303316 1094751160 /nfs/dbraw/zinc/75/11/60/1094751160.db2.gz RPBDBMIIQWBHHX-MIOHMZDASA-N 2 0 325.884 2.005 10 0 EEAERP CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1)n1ccnc1 ZINC001441350342 1094864155 /nfs/dbraw/zinc/86/41/55/1094864155.db2.gz FWACLQDVCHXNNR-XIRDDKMYSA-N 2 0 345.447 2.143 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)s1 ZINC001441387271 1094940312 /nfs/dbraw/zinc/94/03/12/1094940312.db2.gz VPHFTXRTEJYCIR-KKUMJFAQSA-N 2 0 336.505 2.063 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC001441405954 1094980623 /nfs/dbraw/zinc/98/06/23/1094980623.db2.gz LLCDEKWFFWWGTE-RBSFLKMASA-N 2 0 343.462 2.391 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441438173 1095050773 /nfs/dbraw/zinc/05/07/73/1095050773.db2.gz XLEISZNTHMYRQJ-RBUKOAKNSA-N 2 0 344.503 2.283 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3C[N@H+](CC4CCC4)CC[C@@H]32)CC1 ZINC001441486475 1095161556 /nfs/dbraw/zinc/16/15/56/1095161556.db2.gz XGFHNKMANVZFOQ-ROUUACIJSA-N 2 0 333.520 2.441 10 0 EEAERP COCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001441553149 1095287646 /nfs/dbraw/zinc/28/76/46/1095287646.db2.gz JPYLKMBRINPTKD-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001441624011 1095499418 /nfs/dbraw/zinc/49/94/18/1095499418.db2.gz WXBTURPDOMSVDD-GOSISDBHSA-N 2 0 346.519 2.368 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccccn2)C1 ZINC001441687965 1095671211 /nfs/dbraw/zinc/67/12/11/1095671211.db2.gz UKYUZQQOYQLJAH-IAGOWNOFSA-N 2 0 332.492 2.139 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H](C)F)C[C@H]21)c1ccccc1 ZINC001441729953 1095711446 /nfs/dbraw/zinc/71/14/46/1095711446.db2.gz RFTWKJPQLPQIJI-UKNAQKAOSA-N 2 0 347.478 2.474 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2F)C[C@H]1C ZINC001441824852 1095868621 /nfs/dbraw/zinc/86/86/21/1095868621.db2.gz BGCPFWRBLCJKOB-HIFRSBDPSA-N 2 0 339.430 2.384 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](C[C@@H]1CCCOC1)CC2)C1CCC1 ZINC001441850290 1095935200 /nfs/dbraw/zinc/93/52/00/1095935200.db2.gz BASVWQCKPPFJKL-QRFRQXIXSA-N 2 0 349.519 2.011 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001441853214 1095942902 /nfs/dbraw/zinc/94/29/02/1095942902.db2.gz CEVCCZMTBHXESI-LMMKCTJWSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@@H]2C1 ZINC001441880805 1096003540 /nfs/dbraw/zinc/00/35/40/1096003540.db2.gz SPXHYEUZSQIULO-UKBPFDPYSA-N 2 0 325.884 2.051 10 0 EEAERP CN(C)c1ccccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441922821 1096105337 /nfs/dbraw/zinc/10/53/37/1096105337.db2.gz JLNCOMMEAWFAKV-AEFFLSMTSA-N 2 0 346.519 2.079 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1Cl ZINC001442016054 1096221136 /nfs/dbraw/zinc/22/11/36/1096221136.db2.gz YHTNBCKJYQHCSV-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001442065271 1096277019 /nfs/dbraw/zinc/27/70/19/1096277019.db2.gz NASLWNRJYXXFJL-OAHLLOKOSA-N 2 0 344.459 2.276 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001442142725 1096390766 /nfs/dbraw/zinc/39/07/66/1096390766.db2.gz MUWGYEUYZOJEDL-KBXCAEBGSA-N 2 0 333.451 2.203 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)s1 ZINC001442170955 1096435319 /nfs/dbraw/zinc/43/53/19/1096435319.db2.gz MNIZYYQLORBMMF-OAHLLOKOSA-N 2 0 340.537 2.414 10 0 EEAERP C[C@@H](c1ccc(F)cc1F)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442570151 1096934120 /nfs/dbraw/zinc/93/41/20/1096934120.db2.gz AKQZCOROPHWVAT-KBPBESRZSA-N 2 0 339.430 2.416 10 0 EEAERP C[C@@H]([NH2+]CC[C@H](C)F)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001443107659 1097519986 /nfs/dbraw/zinc/51/99/86/1097519986.db2.gz MPLYGSHBAFSYKX-LSDHHAIUSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001443260479 1097739251 /nfs/dbraw/zinc/73/92/51/1097739251.db2.gz HUNLTMYREASBGJ-UONOGXRCSA-N 2 0 335.414 2.109 10 0 EEAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001443336511 1097849456 /nfs/dbraw/zinc/84/94/56/1097849456.db2.gz QHLUIVGMNKVELF-CRAIPNDOSA-N 2 0 345.478 2.339 10 0 EEAERP CC(C)Oc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)c1 ZINC001443687283 1098191708 /nfs/dbraw/zinc/19/17/08/1098191708.db2.gz LFSPRXLLXYXAOF-ROUUACIJSA-N 2 0 345.487 2.211 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1)[NH+](C)C ZINC001443713487 1098217704 /nfs/dbraw/zinc/21/77/04/1098217704.db2.gz SQLXHSMIPKFUBA-SOUVJXGZSA-N 2 0 331.451 2.343 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479479724 1098558920 /nfs/dbraw/zinc/55/89/20/1098558920.db2.gz RDZBNVLEXODOPU-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001479581468 1098618571 /nfs/dbraw/zinc/61/85/71/1098618571.db2.gz XHAPGRHOLGAVKA-YBDBZBFGSA-N 2 0 327.900 2.297 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001479644273 1098674147 /nfs/dbraw/zinc/67/41/47/1098674147.db2.gz QQUXXSJLHYPWMU-ZWKOTPCHSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)sn1 ZINC001479693287 1098759201 /nfs/dbraw/zinc/75/92/01/1098759201.db2.gz WNSCUKUSCYTWJV-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]C(C)C)C1 ZINC001479751568 1098902199 /nfs/dbraw/zinc/90/21/99/1098902199.db2.gz XBKAVZDUVXRXRO-RBUKOAKNSA-N 2 0 347.503 2.329 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC001479761985 1098924252 /nfs/dbraw/zinc/92/42/52/1098924252.db2.gz FHQVKOZCBJCHSU-MSOLQXFVSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001479830204 1099110796 /nfs/dbraw/zinc/11/07/96/1099110796.db2.gz PIWYJISSAVNTAH-RHSMWYFYSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cnoc1C ZINC001479861539 1099176076 /nfs/dbraw/zinc/17/60/76/1099176076.db2.gz VPHSHTDOMVBCNR-HUUCEWRRSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001479895163 1099275159 /nfs/dbraw/zinc/27/51/59/1099275159.db2.gz PLTJCNCQWWXCPH-UHFFFAOYSA-N 2 0 348.491 2.282 10 0 EEAERP C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001444647715 1099478158 /nfs/dbraw/zinc/47/81/58/1099478158.db2.gz GJNUICXTRUYLCY-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]2CCCC2)sn1 ZINC001444718071 1099583247 /nfs/dbraw/zinc/58/32/47/1099583247.db2.gz JKGZOFCHECITNU-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001444784052 1099691754 /nfs/dbraw/zinc/69/17/54/1099691754.db2.gz LDKDSRBURILOJP-LSDHHAIUSA-N 2 0 344.459 2.106 10 0 EEAERP CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001480145303 1099713564 /nfs/dbraw/zinc/71/35/64/1099713564.db2.gz VLUBFJWMHKUKTQ-BRSBDYLESA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cscn2)C1 ZINC001444813861 1099740542 /nfs/dbraw/zinc/74/05/42/1099740542.db2.gz JGKCFZQQSUUPDS-LSDHHAIUSA-N 2 0 338.521 2.200 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001480187498 1099781356 /nfs/dbraw/zinc/78/13/56/1099781356.db2.gz CUQKTWXIFQVPSB-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C1)[NH+](C)C ZINC001480232146 1099857777 /nfs/dbraw/zinc/85/77/77/1099857777.db2.gz PIMNNTKGBJGMMN-JZXOWHBKSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480323652 1100069488 /nfs/dbraw/zinc/06/94/88/1100069488.db2.gz KTZOWVKODMIVER-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001480411903 1100229862 /nfs/dbraw/zinc/22/98/62/1100229862.db2.gz WRORIBNMVRRJPQ-AOCRQIFASA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@@H]1CCCOC1 ZINC001480491911 1100304279 /nfs/dbraw/zinc/30/42/79/1100304279.db2.gz XJGRBSCBVQRKID-CVEARBPZSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001480493761 1100308234 /nfs/dbraw/zinc/30/82/34/1100308234.db2.gz ZQETXCMGDVRQTR-KDOFPFPSSA-N 2 0 348.491 2.267 10 0 EEAERP CC[C@H](F)C[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001495191048 1100869131 /nfs/dbraw/zinc/86/91/31/1100869131.db2.gz HFJLFUNJXALLME-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001496361281 1100954615 /nfs/dbraw/zinc/95/46/15/1100954615.db2.gz JHPCTXNBGPKYHB-DZGCQCFKSA-N 2 0 338.883 2.013 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1 ZINC001446543388 1101005419 /nfs/dbraw/zinc/00/54/19/1101005419.db2.gz XBUWBCAQBOWURK-AEFFLSMTSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCc3ccccc3)C2)C1 ZINC001446551039 1101019826 /nfs/dbraw/zinc/01/98/26/1101019826.db2.gz AMKNAPUMSSWBBC-PXNSSMCTSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001495345535 1101055740 /nfs/dbraw/zinc/05/57/40/1101055740.db2.gz LDVPTRPMPBWTSB-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC001446575890 1101063039 /nfs/dbraw/zinc/06/30/39/1101063039.db2.gz MISIGICTNFIICE-IEBWSBKVSA-N 2 0 349.523 2.132 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001496478834 1101069991 /nfs/dbraw/zinc/06/99/91/1101069991.db2.gz FUHQJCFUUVCHMM-LPHOPBHVSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)c1ocnc1C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001446603223 1101100037 /nfs/dbraw/zinc/10/00/37/1101100037.db2.gz HCEGWLUMVQXNLZ-IBGZPJMESA-N 2 0 348.491 2.222 10 0 EEAERP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001495474816 1101185460 /nfs/dbraw/zinc/18/54/60/1101185460.db2.gz RONDDTMXPUWBCQ-QAQDUYKDSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(F)(F)C1 ZINC001495681215 1101429071 /nfs/dbraw/zinc/42/90/71/1101429071.db2.gz GGJBAYHFIXVMGV-ZFWWWQNUSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001495807530 1101622064 /nfs/dbraw/zinc/62/20/64/1101622064.db2.gz DQPIQABUMDALGX-AWEZNQCLSA-N 2 0 331.451 2.250 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446949452 1101643284 /nfs/dbraw/zinc/64/32/84/1101643284.db2.gz ZFIZFRAKPVPBEM-QAPCUYQASA-N 2 0 342.487 2.446 10 0 EEAERP Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCCC2)c(C)n1 ZINC001495962646 1101837414 /nfs/dbraw/zinc/83/74/14/1101837414.db2.gz IFKQQVUPCXPDBL-SFHVURJKSA-N 2 0 344.503 2.169 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC001447099455 1101990538 /nfs/dbraw/zinc/99/05/38/1101990538.db2.gz KKMANMIICGKKJX-UHFFFAOYSA-N 2 0 344.503 2.238 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1OC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497152309 1102037062 /nfs/dbraw/zinc/03/70/62/1102037062.db2.gz ASNGPKQFQBMYOY-CRAIPNDOSA-N 2 0 345.487 2.306 10 0 EEAERP COC[C@@H](C)[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001447156850 1102103573 /nfs/dbraw/zinc/10/35/73/1102103573.db2.gz CLDDJBAYDAQJSY-MRXNPFEDSA-N 2 0 347.503 2.036 10 0 EEAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001447219217 1102227607 /nfs/dbraw/zinc/22/76/07/1102227607.db2.gz UACBIFSHSFTGFL-HNNXBMFYSA-N 2 0 325.472 2.239 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497304084 1102286658 /nfs/dbraw/zinc/28/66/58/1102286658.db2.gz MIAMYUMDKNBLCB-UONOGXRCSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001447270973 1102352046 /nfs/dbraw/zinc/35/20/46/1102352046.db2.gz WTXBMISPEASYIA-OAHLLOKOSA-N 2 0 339.499 2.485 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497453336 1102511830 /nfs/dbraw/zinc/51/18/30/1102511830.db2.gz AYNGVIAFLNXFFN-RHSMWYFYSA-N 2 0 333.467 2.385 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCF)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001497578803 1102693199 /nfs/dbraw/zinc/69/31/99/1102693199.db2.gz JOBZYXQHAZGVCP-YIEVGGLXSA-N 2 0 325.472 2.263 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001447559444 1102861671 /nfs/dbraw/zinc/86/16/71/1102861671.db2.gz GSVVWBGSBOOEDX-UHFFFAOYSA-N 2 0 348.491 2.365 10 0 EEAERP C[C@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)[NH+]1CCCCCC1 ZINC001497691281 1102911276 /nfs/dbraw/zinc/91/12/76/1102911276.db2.gz KYUDXLTZUAQDLX-ZRUQZJFASA-N 2 0 335.414 2.465 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001497696199 1102922034 /nfs/dbraw/zinc/92/20/34/1102922034.db2.gz DWECQZPPLXDTSV-GOCDNGJGSA-N 2 0 342.487 2.169 10 0 EEAERP Cc1oncc1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001497763969 1103058880 /nfs/dbraw/zinc/05/88/80/1103058880.db2.gz MXOHPSCNRKXCNH-XFHJGTJQSA-N 2 0 348.491 2.256 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001493977587 1103246239 /nfs/dbraw/zinc/24/62/39/1103246239.db2.gz NUVYMXDOJOMQNQ-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CCOC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001447767408 1103269352 /nfs/dbraw/zinc/26/93/52/1103269352.db2.gz ITLQOOWXTJGQFR-LXPRWKDFSA-N 2 0 339.524 2.065 10 0 EEAERP O=C(NCC[C@@H]1CC[N@H+](Cc2ccsc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001494020729 1103366101 /nfs/dbraw/zinc/36/61/01/1103366101.db2.gz NVUAYQHCMMNXFJ-CRAIPNDOSA-N 2 0 347.528 2.418 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447865056 1103473618 /nfs/dbraw/zinc/47/36/18/1103473618.db2.gz JXRVSBJYRQZPIA-LSDHHAIUSA-N 2 0 345.487 2.184 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCc1c(F)cccc1Cl ZINC001447884376 1103514689 /nfs/dbraw/zinc/51/46/89/1103514689.db2.gz AERKEXXGFKWQLR-CHWSQXEVSA-N 2 0 343.874 2.456 10 0 EEAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494144031 1103595140 /nfs/dbraw/zinc/59/51/40/1103595140.db2.gz IETPEAIZAPULPB-CVEARBPZSA-N 2 0 325.472 2.143 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)s1 ZINC001447919346 1103597601 /nfs/dbraw/zinc/59/76/01/1103597601.db2.gz ZVARSEUSUHENKC-UONOGXRCSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001448066409 1103931600 /nfs/dbraw/zinc/93/16/00/1103931600.db2.gz NPERQZIQLWSJIF-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cc3ccccc3o2)C1 ZINC001448357277 1104453708 /nfs/dbraw/zinc/45/37/08/1104453708.db2.gz IADCNNMSQAUGMO-HNNXBMFYSA-N 2 0 341.455 2.465 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494876906 1104486576 /nfs/dbraw/zinc/48/65/76/1104486576.db2.gz SCJWGANZHUGYSP-ROUUACIJSA-N 2 0 339.524 2.065 10 0 EEAERP C[C@@H](C[NH2+]Cc1sccc1Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498043557 1106824487 /nfs/dbraw/zinc/82/44/87/1106824487.db2.gz MQXFLFYAUQDMQE-WCQYABFASA-N 2 0 341.908 2.338 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1)[NH+](C)C ZINC001480664575 1106845153 /nfs/dbraw/zinc/84/51/53/1106845153.db2.gz BHKKPMKXWQYDSK-MRECJMOMSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001498190036 1107053782 /nfs/dbraw/zinc/05/37/82/1107053782.db2.gz KBGFGTJIQHBFPV-HNNXBMFYSA-N 2 0 337.895 2.463 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1F ZINC001498197194 1107065084 /nfs/dbraw/zinc/06/50/84/1107065084.db2.gz GGFLSKYXETZLIL-LBPRGKRZSA-N 2 0 329.847 2.414 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC001480773248 1107089386 /nfs/dbraw/zinc/08/93/86/1107089386.db2.gz XAHZNLCFWRRZLQ-MLGOLLRUSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccn1)[NH+]1CCCC1 ZINC001498455700 1107562974 /nfs/dbraw/zinc/56/29/74/1107562974.db2.gz JQPDQTAJUNGVOC-SJLPKXTDSA-N 2 0 332.492 2.139 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1nc(C)c(C)s1)[NH+](C)C ZINC001498612784 1107809941 /nfs/dbraw/zinc/80/99/41/1107809941.db2.gz LYJODSHOVLFUPC-AWEZNQCLSA-N 2 0 326.510 2.038 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2nccs2)CC1 ZINC001498636997 1107860972 /nfs/dbraw/zinc/86/09/72/1107860972.db2.gz UQWKIUZYWAESGQ-UHFFFAOYSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cc1F ZINC001498734913 1107996550 /nfs/dbraw/zinc/99/65/50/1107996550.db2.gz ANKZBGMFEOJYCN-MSOLQXFVSA-N 2 0 333.451 2.213 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001498823120 1108171113 /nfs/dbraw/zinc/17/11/13/1108171113.db2.gz YUDNOPUZMWLPES-HNAYVOBHSA-N 2 0 345.487 2.021 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001498847438 1108216271 /nfs/dbraw/zinc/21/62/71/1108216271.db2.gz AEYTZZOIFPGJHH-APWZRJJASA-N 2 0 345.487 2.021 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)O1 ZINC001493609411 1108398611 /nfs/dbraw/zinc/39/86/11/1108398611.db2.gz NPNKAKCMRVUFAS-DOTOQJQBSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001493670099 1108484280 /nfs/dbraw/zinc/48/42/80/1108484280.db2.gz UBXOPAFASYYZPY-YJBOKZPZSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1F)[NH+]1CCCC1 ZINC001493807248 1108686894 /nfs/dbraw/zinc/68/68/94/1108686894.db2.gz YASLQUQNLSKNSD-GOSISDBHSA-N 2 0 335.467 2.494 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)N1CC([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC001455796189 1108896667 /nfs/dbraw/zinc/89/66/67/1108896667.db2.gz QGSIMUSNCSUUIS-LJQANCHMSA-N 2 0 345.487 2.049 10 0 EEAERP Cc1cccc(CCC[N@H+]2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)c1 ZINC001479241615 1110666017 /nfs/dbraw/zinc/66/60/17/1110666017.db2.gz DYWDXODJAUACTR-LJQANCHMSA-N 2 0 331.504 2.412 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCCc1ccsc1)C(=O)C[NH+]1CCCC1 ZINC001479271911 1110673436 /nfs/dbraw/zinc/67/34/36/1110673436.db2.gz QQJCYRIHLPEAPI-KRWDZBQOSA-N 2 0 335.517 2.309 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001479337975 1110682940 /nfs/dbraw/zinc/68/29/40/1110682940.db2.gz IFSDQCKMPHHULS-GASCZTMLSA-N 2 0 338.883 2.061 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001479341709 1110683677 /nfs/dbraw/zinc/68/36/77/1110683677.db2.gz SFKICULGUNJVHY-KDURUIRLSA-N 2 0 329.488 2.199 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+][C@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001499230777 1112190614 /nfs/dbraw/zinc/19/06/14/1112190614.db2.gz GWRFBJMWYRRZJA-QBIMZIAESA-N 2 0 345.462 2.392 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCc2cccs2)CC1 ZINC001499255013 1112202619 /nfs/dbraw/zinc/20/26/19/1112202619.db2.gz VQDARZABMJOBCO-OAHLLOKOSA-N 2 0 335.517 2.403 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)sn1 ZINC001499264422 1112207554 /nfs/dbraw/zinc/20/75/54/1112207554.db2.gz YGVAQXYXRMGZNA-ZBFHGGJFSA-N 2 0 348.516 2.207 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001499480957 1112311886 /nfs/dbraw/zinc/31/18/86/1112311886.db2.gz KTFFROYEXPXULR-FUHWJXTLSA-N 2 0 348.491 2.080 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccn1)[NH+](CC)CC ZINC001499926684 1112543638 /nfs/dbraw/zinc/54/36/38/1112543638.db2.gz PYSFBIQMSPXPAW-ZWKOTPCHSA-N 2 0 332.492 2.283 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCCc3ccsc3)C2)C1 ZINC001500401450 1112803795 /nfs/dbraw/zinc/80/37/95/1112803795.db2.gz FTZMKFMOJQCTRL-IEBWSBKVSA-N 2 0 349.544 2.461 10 0 EEAERP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001501417857 1113352533 /nfs/dbraw/zinc/35/25/33/1113352533.db2.gz KXSXYHLQCVVDGL-GVDBMIGSSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001502006813 1113555387 /nfs/dbraw/zinc/55/53/87/1113555387.db2.gz HCUKLFBLVBCBHV-MRXNPFEDSA-N 2 0 348.491 2.374 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001502095210 1113585664 /nfs/dbraw/zinc/58/56/64/1113585664.db2.gz WARVXGSFZXIYDT-MSOLQXFVSA-N 2 0 347.503 2.213 10 0 EEAERP COCc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001502396867 1113664169 /nfs/dbraw/zinc/66/41/69/1113664169.db2.gz HXVUPMDLBXQVPE-LJQANCHMSA-N 2 0 347.503 2.065 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502969731 1113865269 /nfs/dbraw/zinc/86/52/69/1113865269.db2.gz QEKGINDLYVYBNY-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCC(F)(F)F)C1 ZINC001505410736 1113944870 /nfs/dbraw/zinc/94/48/70/1113944870.db2.gz UOLIWEWPSQAODD-KGLIPLIRSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@H]([NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC001505517129 1114032561 /nfs/dbraw/zinc/03/25/61/1114032561.db2.gz XIOPLHMARXBBKV-OPFPJEHXSA-N 2 0 339.430 2.462 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001505677321 1114125748 /nfs/dbraw/zinc/12/57/48/1114125748.db2.gz GVBRWYULTFPGID-RYUDHWBXSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@H](C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1)OC ZINC001505791088 1114194188 /nfs/dbraw/zinc/19/41/88/1114194188.db2.gz FDFHWFRUFRKVNU-OFLPRAFFSA-N 2 0 327.513 2.111 10 0 EEAERP CCCC[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506554650 1114695771 /nfs/dbraw/zinc/69/57/71/1114695771.db2.gz XWFBKDMEZGVNNY-GJZGRUSLSA-N 2 0 331.451 2.248 10 0 EEAERP CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001506841916 1114906493 /nfs/dbraw/zinc/90/64/93/1114906493.db2.gz QKRLCMIORIUHRS-SJORKVTESA-N 2 0 339.524 2.257 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001506879509 1114946617 /nfs/dbraw/zinc/94/66/17/1114946617.db2.gz ZVGCLVKCYNEMFR-UFYCRDLUSA-N 2 0 343.515 2.370 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001507289138 1115175539 /nfs/dbraw/zinc/17/55/39/1115175539.db2.gz HRGIZFHZDQVJOO-PKOBYXMFSA-N 2 0 331.504 2.458 10 0 EEAERP COc1ccc(CC[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001507381455 1115240474 /nfs/dbraw/zinc/24/04/74/1115240474.db2.gz IPKNGYLMUDKOTL-VQIMIIECSA-N 2 0 347.503 2.159 10 0 EEAERP CC1(C)CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1[NH2+]CCCF ZINC001507436937 1115268317 /nfs/dbraw/zinc/26/83/17/1115268317.db2.gz KMNJTQOPVPTHNN-INIZCTEOSA-N 2 0 345.422 2.067 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](CCCCCF)CC2)CC[N@@H+]1C ZINC001508205837 1115443920 /nfs/dbraw/zinc/44/39/20/1115443920.db2.gz AFTZFOGCKGZDTE-NVXWUHKLSA-N 2 0 325.472 2.215 10 0 EEAERP CC(C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001541368937 1124104540 /nfs/dbraw/zinc/10/45/40/1124104540.db2.gz XEDBWVXAPHCSGA-CVEARBPZSA-N 2 0 334.512 2.026 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001567911066 1124172359 /nfs/dbraw/zinc/17/23/59/1124172359.db2.gz KAUPIOWEOHSCHA-IXDOHACOSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568060382 1124265594 /nfs/dbraw/zinc/26/55/94/1124265594.db2.gz LKMSRKIYISKPEU-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001568076846 1124282672 /nfs/dbraw/zinc/28/26/72/1124282672.db2.gz SHHYHUCEFVGYGZ-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001568238196 1124380000 /nfs/dbraw/zinc/38/00/00/1124380000.db2.gz YBTPCYNXGAGGEY-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300145 1124411086 /nfs/dbraw/zinc/41/10/86/1124411086.db2.gz LDLSUSHMZVKMHW-MRTSUBRMSA-N 2 0 333.879 2.388 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001568632176 1124647128 /nfs/dbraw/zinc/64/71/28/1124647128.db2.gz JJBYTIIOKAFVTN-VQIMIIECSA-N 2 0 329.488 2.321 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ncccc2C)CC[N@@H+]1C ZINC001568633972 1124648883 /nfs/dbraw/zinc/64/88/83/1124648883.db2.gz RBHNVGNCBNRZNA-SOLBZPMBSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CC1CC[NH+](C)CC1 ZINC001568686678 1124698152 /nfs/dbraw/zinc/69/81/52/1124698152.db2.gz BFZHITPMYJTMBY-NVXWUHKLSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568689507 1124701542 /nfs/dbraw/zinc/70/15/42/1124701542.db2.gz LHIXBHJHNYUWFK-VQIMIIECSA-N 2 0 347.503 2.415 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@H]1CCCCO1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568691984 1124703987 /nfs/dbraw/zinc/70/39/87/1124703987.db2.gz ADBCOBAJWUTONZ-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)c1cccc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001568710476 1124726869 /nfs/dbraw/zinc/72/68/69/1124726869.db2.gz MYRNYBZEUUHSPJ-MRXNPFEDSA-N 2 0 332.492 2.285 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2scnc2C)CC[N@@H+]1C ZINC001568743931 1124757535 /nfs/dbraw/zinc/75/75/35/1124757535.db2.gz VFVQUCLLKZGYMF-LSDHHAIUSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001568758482 1124772889 /nfs/dbraw/zinc/77/28/89/1124772889.db2.gz FVDILZZSGWVQLM-OAHLLOKOSA-N 2 0 329.448 2.365 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cncs1 ZINC001568927930 1124957643 /nfs/dbraw/zinc/95/76/43/1124957643.db2.gz FBLSXALHAOHGFE-APHBUQMISA-N 2 0 336.505 2.168 10 0 EEAERP C[C@H](C[NH2+]CCCCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568991685 1125026681 /nfs/dbraw/zinc/02/66/81/1125026681.db2.gz HREXQWPGINRLMR-YLJYHZDGSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001569022406 1125047227 /nfs/dbraw/zinc/04/72/27/1125047227.db2.gz JVWGGRJMSNSZCK-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)O1 ZINC001569203520 1125162419 /nfs/dbraw/zinc/16/24/19/1125162419.db2.gz WMGKGOUVLOJKSI-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001569268690 1125208256 /nfs/dbraw/zinc/20/82/56/1125208256.db2.gz JCDWVXIFLDFWLU-IAGOWNOFSA-N 2 0 332.492 2.201 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C\c1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001569326780 1125231089 /nfs/dbraw/zinc/23/10/89/1125231089.db2.gz BERAMTWPXGRWTF-BQHGXPCASA-N 2 0 339.483 2.280 10 0 EEAERP CC[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1CCOC ZINC000181688970 539585948 /nfs/dbraw/zinc/58/59/48/539585948.db2.gz XIEWEZHRKRMAQB-IBGZPJMESA-N 2 0 337.483 2.300 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422701192 240184845 /nfs/dbraw/zinc/18/48/45/240184845.db2.gz BOGLGDYPDNASHD-INIZCTEOSA-N 2 0 329.554 2.082 10 0 EEAERP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000423175446 240393939 /nfs/dbraw/zinc/39/39/39/240393939.db2.gz AMSITSBINRUJNF-MRXNPFEDSA-N 2 0 327.476 2.033 10 0 EEAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000423186834 240399827 /nfs/dbraw/zinc/39/98/27/240399827.db2.gz OXROTYSXYUTRJR-MRXNPFEDSA-N 2 0 340.471 2.172 10 0 EEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2Br)CC1 ZINC000019476067 212031491 /nfs/dbraw/zinc/03/14/91/212031491.db2.gz FSUOTTORXOREHC-HNNXBMFYSA-N 2 0 326.282 2.477 10 0 EEAERP COc1cccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000246162714 256014812 /nfs/dbraw/zinc/01/48/12/256014812.db2.gz AJMYGRBURBJXPR-JZXOWHBKSA-N 2 0 331.460 2.076 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248752288 285367582 /nfs/dbraw/zinc/36/75/82/285367582.db2.gz UTKVEAJKMHRRKS-DLBZAZTESA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000248820793 160362937 /nfs/dbraw/zinc/36/29/37/160362937.db2.gz WWANTRDVUQDUFZ-OXQOHEQNSA-N 2 0 341.499 2.498 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429154 160235079 /nfs/dbraw/zinc/23/50/79/160235079.db2.gz MXNCCQLXVAHCKD-WMLDXEAASA-N 2 0 347.459 2.074 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246998555 160304383 /nfs/dbraw/zinc/30/43/83/160304383.db2.gz PNKLUSIDYMRIJY-RBUKOAKNSA-N 2 0 344.503 2.374 10 0 EEAERP OCCOCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248402869 160344114 /nfs/dbraw/zinc/34/41/14/160344114.db2.gz NYDZOUASVQWPJK-VAMGGRTRSA-N 2 0 332.488 2.276 10 0 EEAERP CC(C)[C@]1(C)C[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248470222 160348393 /nfs/dbraw/zinc/34/83/93/160348393.db2.gz HSHOOPFPLXCOAZ-ZYGVUQDESA-N 2 0 333.520 2.438 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)C[S@](C)=O)CC1 ZINC000344296838 161215118 /nfs/dbraw/zinc/21/51/18/161215118.db2.gz NNZPEDSCUSXEHK-MWTRTKDXSA-N 2 0 337.533 2.075 10 0 EEAERP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCOC1 ZINC000360875152 164394840 /nfs/dbraw/zinc/39/48/40/164394840.db2.gz WSWXHMWOAKSVLW-OBKBHFTKSA-N 2 0 344.499 2.417 10 0 EEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000375175502 167083773 /nfs/dbraw/zinc/08/37/73/167083773.db2.gz SCSUEZMBIJLKBN-INIZCTEOSA-N 2 0 336.524 2.377 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH+]2CCC1CC2 ZINC000375213416 167088813 /nfs/dbraw/zinc/08/88/13/167088813.db2.gz ZBUXFDRLAZNEOQ-GOSISDBHSA-N 2 0 334.508 2.273 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCn3cc(C)nc3C2)c1 ZINC000376295699 167299593 /nfs/dbraw/zinc/29/95/93/167299593.db2.gz IBZZGHSQHJIHOT-UHFFFAOYSA-N 2 0 341.459 2.369 10 0 EEAERP CC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464316 276069344 /nfs/dbraw/zinc/06/93/44/276069344.db2.gz JVKCCFGSOLQCNN-FUHWJXTLSA-N 2 0 332.492 2.290 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CCO)CC2)CC1 ZINC000495159135 276263257 /nfs/dbraw/zinc/26/32/57/276263257.db2.gz RLEMREWUGNGEIO-UHFFFAOYSA-N 2 0 331.504 2.471 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000194813949 277164763 /nfs/dbraw/zinc/16/47/63/277164763.db2.gz DBXJBPUFKXCTAW-OALUTQOASA-N 2 0 327.472 2.422 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000248070400 277166547 /nfs/dbraw/zinc/16/65/47/277166547.db2.gz QHXWQMOPUUNCCG-ROUUACIJSA-N 2 0 330.476 2.073 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000303428059 279272979 /nfs/dbraw/zinc/27/29/79/279272979.db2.gz BFXOQJVUOZOTBQ-RTBURBONSA-N 2 0 346.519 2.333 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000177424917 279325442 /nfs/dbraw/zinc/32/54/42/279325442.db2.gz XQBCQPJPOMJMTD-SFHVURJKSA-N 2 0 332.492 2.244 10 0 EEAERP Cc1ccc2[nH+]ccc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2c1 ZINC000302136308 294932679 /nfs/dbraw/zinc/93/26/79/294932679.db2.gz BFGRIXOPMQSYDU-UHFFFAOYSA-N 2 0 338.455 2.288 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000180905868 311467901 /nfs/dbraw/zinc/46/79/01/311467901.db2.gz LNHUMGVVGAIZQL-UHFFFAOYSA-N 2 0 332.492 2.244 10 0 EEAERP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)c1 ZINC000414714853 313068151 /nfs/dbraw/zinc/06/81/51/313068151.db2.gz QKPWASVXKNFZCV-ROUUACIJSA-N 2 0 329.488 2.290 10 0 EEAERP COCC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH2+]CC1 ZINC000414979394 313119236 /nfs/dbraw/zinc/11/92/36/313119236.db2.gz UVWSREGTNLKLMT-UHFFFAOYSA-N 2 0 332.473 2.311 10 0 EEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000523907496 317004867 /nfs/dbraw/zinc/00/48/67/317004867.db2.gz HAJJKQPIXWOBAX-RTBURBONSA-N 2 0 346.519 2.189 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@]12CCCO2 ZINC000546056104 318243242 /nfs/dbraw/zinc/24/32/42/318243242.db2.gz LQGDJPCUTBZETL-OTWHNJEPSA-N 2 0 342.443 2.392 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C(F)F)cc1 ZINC000546622875 318256398 /nfs/dbraw/zinc/25/63/98/318256398.db2.gz IZELEAUBWAVYKK-UHFFFAOYSA-N 2 0 342.434 2.259 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000548518433 318393824 /nfs/dbraw/zinc/39/38/24/318393824.db2.gz BWKHYZANWVPMJU-LJQANCHMSA-N 2 0 346.519 2.490 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC(CC[NH3+])CC2)[C@H]1c1ccccc1 ZINC000566352514 319278094 /nfs/dbraw/zinc/27/80/94/319278094.db2.gz PHNINHUGCRTARN-ZWKOTPCHSA-N 2 0 330.476 2.202 10 0 EEAERP [NH3+][C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000567030702 319341615 /nfs/dbraw/zinc/34/16/15/319341615.db2.gz UBTKOGAZFDXXPJ-IPQPSQTFSA-N 2 0 342.487 2.219 10 0 EEAERP [NH3+][C@H]1CCc2ncc(NC(=O)NC3CC([NH+]4CCCCC4)C3)cc2C1 ZINC000567358893 319373362 /nfs/dbraw/zinc/37/33/62/319373362.db2.gz ZGZITICLAZZEBW-UQPPLGOBSA-N 2 0 343.475 2.036 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCC34CC4)CC2)nc1 ZINC000568275796 319473894 /nfs/dbraw/zinc/47/38/94/319473894.db2.gz YOMUDASGFYJYLP-QGZVFWFLSA-N 2 0 329.492 2.301 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000569500895 319582748 /nfs/dbraw/zinc/58/27/48/319582748.db2.gz BRGGRYXSABNZQC-OWCLPIDISA-N 2 0 333.476 2.390 10 0 EEAERP CN(CCC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1cc[nH+]cc1 ZINC000577009755 320224274 /nfs/dbraw/zinc/22/42/74/320224274.db2.gz VVEZFFUCYKRGRI-GOSISDBHSA-N 2 0 344.434 2.466 10 0 EEAERP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)COC2CCC([NH3+])CC2)cc1 ZINC000577712481 320271138 /nfs/dbraw/zinc/27/11/38/320271138.db2.gz WZYVQDNJMYRVQX-CTWPCTMYSA-N 2 0 345.487 2.008 10 0 EEAERP C[C@H](CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000580412288 324056947 /nfs/dbraw/zinc/05/69/47/324056947.db2.gz OTXAJHSIZGUXJK-XWIAVFTESA-N 2 0 348.466 2.135 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000581019746 324170944 /nfs/dbraw/zinc/17/09/44/324170944.db2.gz CNTMOZFUQPVKQT-QGZVFWFLSA-N 2 0 329.488 2.451 10 0 EEAERP CC1CC[NH+](CCCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000581665874 324299475 /nfs/dbraw/zinc/29/94/75/324299475.db2.gz LMDZFZGYLHCZRZ-IBGZPJMESA-N 2 0 344.503 2.376 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000358316908 465055666 /nfs/dbraw/zinc/05/56/66/465055666.db2.gz SRTHBPYRGWTKNA-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CCCO1 ZINC000341366893 465133564 /nfs/dbraw/zinc/13/35/64/465133564.db2.gz CUKODNUKMRVRTF-AWEZNQCLSA-N 2 0 349.500 2.191 10 0 EEAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CS2 ZINC000520814238 468272764 /nfs/dbraw/zinc/27/27/64/468272764.db2.gz CPUWSRRFHJSIFA-QKPAOTATSA-N 2 0 334.485 2.286 10 0 EEAERP CN(C(=O)NC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347969909 465342366 /nfs/dbraw/zinc/34/23/66/465342366.db2.gz UKUFFIPGDPLOMR-RBUKOAKNSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000062646989 462621581 /nfs/dbraw/zinc/62/15/81/462621581.db2.gz LJWNXLVYCJMWSX-MSOLQXFVSA-N 2 0 330.476 2.044 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000535787776 468331314 /nfs/dbraw/zinc/33/13/14/468331314.db2.gz IQZNGVPHZCASHG-CVEARBPZSA-N 2 0 330.476 2.157 10 0 EEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000156697434 463058073 /nfs/dbraw/zinc/05/80/73/463058073.db2.gz DXHSCWZUVLJBGJ-LPHOPBHVSA-N 2 0 344.503 2.073 10 0 EEAERP Cc1ccccc1C[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000052591017 463093627 /nfs/dbraw/zinc/09/36/27/463093627.db2.gz ACFRZGLZCCJNEM-LJQANCHMSA-N 2 0 344.503 2.307 10 0 EEAERP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C[N@@H+]1C1CC1 ZINC000095980651 463124175 /nfs/dbraw/zinc/12/41/75/463124175.db2.gz GWWPRTAQTSFSQU-DKSSEZFCSA-N 2 0 342.487 2.173 10 0 EEAERP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCc2sccc2C1 ZINC000568512491 468349066 /nfs/dbraw/zinc/34/90/66/468349066.db2.gz RWASMEOJUABHNT-SFHVURJKSA-N 2 0 333.501 2.098 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000124210431 463399305 /nfs/dbraw/zinc/39/93/05/463399305.db2.gz LRNJAIHBTDJENA-KRWDZBQOSA-N 2 0 330.476 2.349 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000073305473 463601377 /nfs/dbraw/zinc/60/13/77/463601377.db2.gz YKOFCVZQKPKWOO-QGZVFWFLSA-N 2 0 330.476 2.159 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)o1 ZINC000170836285 463718478 /nfs/dbraw/zinc/71/84/78/463718478.db2.gz LOLWJYBRYKALQX-HZPDHXFCSA-N 2 0 334.464 2.070 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000579572201 468378095 /nfs/dbraw/zinc/37/80/95/468378095.db2.gz LTUQBUNUSXTABW-NEPXVJNWSA-N 2 0 344.503 2.337 10 0 EEAERP COc1ccccc1[C@H]1CNCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000261990372 463918244 /nfs/dbraw/zinc/91/82/44/463918244.db2.gz OXCHSMYVPWMSMH-GOSISDBHSA-N 2 0 345.487 2.289 10 0 EEAERP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)C2)cc1 ZINC000261990126 463918846 /nfs/dbraw/zinc/91/88/46/463918846.db2.gz SOERYJQQVYTFFT-HUYLIWGRSA-N 2 0 347.478 2.399 10 0 EEAERP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1OC ZINC000261990081 463919011 /nfs/dbraw/zinc/91/90/11/463919011.db2.gz SNBGKKVNZWQQPF-BRWVUGGUSA-N 2 0 334.460 2.341 10 0 EEAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262176264 463965292 /nfs/dbraw/zinc/96/52/92/463965292.db2.gz VWXMFLYASNKHLY-BEFAXECRSA-N 2 0 332.394 2.267 10 0 EEAERP C(CC[N@@H+]1CCCN(C2CC2)CC1)C[NH+]1CCCN(C2CC2)CC1 ZINC000172658259 464126825 /nfs/dbraw/zinc/12/68/25/464126825.db2.gz YGCOOEYXWFXVIK-UHFFFAOYSA-N 2 0 334.552 2.107 10 0 EEAERP C[C@H](C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000284440798 464193137 /nfs/dbraw/zinc/19/31/37/464193137.db2.gz RWZYJOWHGSHKMY-BHIYHBOVSA-N 2 0 331.504 2.458 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H]1c1ccccc1 ZINC000270245530 464232117 /nfs/dbraw/zinc/23/21/17/464232117.db2.gz DKIMGZXGALSWPI-YDZRNGNQSA-N 2 0 342.487 2.358 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)Cc1ccccc1 ZINC000237196794 464281572 /nfs/dbraw/zinc/28/15/72/464281572.db2.gz MKNQPFNQOREEHA-VJANTYMQSA-N 2 0 329.488 2.196 10 0 EEAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271711001 464368573 /nfs/dbraw/zinc/36/85/73/464368573.db2.gz MRXRMSUJZBLCJN-AWEZNQCLSA-N 2 0 339.505 2.107 10 0 EEAERP COc1ccc(OCC[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cc1 ZINC000174879407 464462482 /nfs/dbraw/zinc/46/24/82/464462482.db2.gz LJINQUICBZOPBO-SFHVURJKSA-N 2 0 347.503 2.176 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000246132323 464548509 /nfs/dbraw/zinc/54/85/09/464548509.db2.gz AAFIUOPZLDXTTI-QLFBSQMISA-N 2 0 338.521 2.379 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000246757537 464618268 /nfs/dbraw/zinc/61/82/68/464618268.db2.gz XWLLSKHRMPRZHR-RCCFBDPRSA-N 2 0 338.540 2.382 10 0 EEAERP Cc1cnn([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000192736052 464987818 /nfs/dbraw/zinc/98/78/18/464987818.db2.gz XXRZOUCYXNPCMG-IBGZPJMESA-N 2 0 333.524 2.245 10 0 EEAERP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1sccc1F ZINC000339580529 465361353 /nfs/dbraw/zinc/36/13/53/465361353.db2.gz IQINQGNXHGVIQD-UHFFFAOYSA-N 2 0 348.447 2.224 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000343843776 465559832 /nfs/dbraw/zinc/55/98/32/465559832.db2.gz SSCJSXSMBVDJPH-VQIMIIECSA-N 2 0 344.503 2.385 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000353209956 465717461 /nfs/dbraw/zinc/71/74/61/465717461.db2.gz VJZYTISXEDGFAK-PKOBYXMFSA-N 2 0 331.504 2.469 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000357282148 465910215 /nfs/dbraw/zinc/91/02/15/465910215.db2.gz HSDZJEBXQKVQED-SFHVURJKSA-N 2 0 329.488 2.076 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000357348107 465969790 /nfs/dbraw/zinc/96/97/90/465969790.db2.gz MKOHBYOYHWKYTO-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000349199909 466018041 /nfs/dbraw/zinc/01/80/41/466018041.db2.gz YTHRGTSXUGWPKW-GOSISDBHSA-N 2 0 325.460 2.431 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000353636462 466029101 /nfs/dbraw/zinc/02/91/01/466029101.db2.gz HNXNDQWCAOTIEK-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)NCC[NH+](C)C ZINC000340517024 466147712 /nfs/dbraw/zinc/14/77/12/466147712.db2.gz KQYOSZNCNDUHAW-MSOLQXFVSA-N 2 0 347.503 2.452 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000349851199 466271302 /nfs/dbraw/zinc/27/13/02/466271302.db2.gz NNDSABIOMPSVSO-HNNXBMFYSA-N 2 0 345.516 2.321 10 0 EEAERP C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCSC[C@H]2C)CC1 ZINC000349873466 466286860 /nfs/dbraw/zinc/28/68/60/466286860.db2.gz CMRCVGUQAKJMDN-SJORKVTESA-N 2 0 347.528 2.329 10 0 EEAERP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000349989082 466340906 /nfs/dbraw/zinc/34/09/06/466340906.db2.gz AZKUCUHZJKPSGA-LPHOPBHVSA-N 2 0 344.503 2.385 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C(=O)NCC[NH+](C)C ZINC000347169580 466447321 /nfs/dbraw/zinc/44/73/21/466447321.db2.gz OPIHIKPJHNJDRO-ROUUACIJSA-N 2 0 335.467 2.495 10 0 EEAERP CC(C)C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C(=O)NCC[NH+](C)C ZINC000347169578 466447522 /nfs/dbraw/zinc/44/75/22/466447522.db2.gz OPIHIKPJHNJDRO-MSOLQXFVSA-N 2 0 335.467 2.495 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000358200277 466535852 /nfs/dbraw/zinc/53/58/52/466535852.db2.gz SGQCQMXUULSMKG-GOSISDBHSA-N 2 0 336.524 2.306 10 0 EEAERP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000341046247 466538946 /nfs/dbraw/zinc/53/89/46/466538946.db2.gz ANUIMFIKVRDVBL-LJQANCHMSA-N 2 0 345.487 2.479 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000423289118 466710362 /nfs/dbraw/zinc/71/03/62/466710362.db2.gz AISBOICTOSWLJV-HUUCEWRRSA-N 3 0 333.476 2.117 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373391077 466789203 /nfs/dbraw/zinc/78/92/03/466789203.db2.gz VNERFVCTJAPUKK-WWDZGPRUSA-N 2 0 336.524 2.423 10 0 EEAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000668476339 472140136 /nfs/dbraw/zinc/14/01/36/472140136.db2.gz CZGZBTKFTIRTRN-LJQANCHMSA-N 2 0 343.515 2.494 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000417415337 466854392 /nfs/dbraw/zinc/85/43/92/466854392.db2.gz ZCISRJYZFHTZQM-HXUWFJFHSA-N 2 0 344.503 2.423 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417657341 466900878 /nfs/dbraw/zinc/90/08/78/466900878.db2.gz VRGKURSEVZXIHP-CEXWTWQISA-N 2 0 342.487 2.187 10 0 EEAERP C[C@@H](CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000417819399 466943758 /nfs/dbraw/zinc/94/37/58/466943758.db2.gz TUWBEHGJWCPWRE-RYRKJORJSA-N 2 0 332.492 2.194 10 0 EEAERP CC(C)[C@H](CNC(=O)N[C@H]1CCc2nc[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000370680356 466963306 /nfs/dbraw/zinc/96/33/06/466963306.db2.gz GJXPJEJDTHKKQL-YJBOKZPZSA-N 2 0 347.507 2.323 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373932475 466973589 /nfs/dbraw/zinc/97/35/89/466973589.db2.gz IDSIEQHFPVKXQL-MSOLQXFVSA-N 2 0 334.508 2.131 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000417903233 466978981 /nfs/dbraw/zinc/97/89/81/466978981.db2.gz YYWDSZWOXMYZLM-WCVJEAGWSA-N 2 0 332.492 2.178 10 0 EEAERP CC[NH2+][C@H](C)CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418047349 467032775 /nfs/dbraw/zinc/03/27/75/467032775.db2.gz SDRIUEWQQASMQD-VQIMIIECSA-N 2 0 332.492 2.338 10 0 EEAERP O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000366111335 467062163 /nfs/dbraw/zinc/06/21/63/467062163.db2.gz BDQOWTWJBPTZJQ-INIZCTEOSA-N 2 0 345.491 2.175 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000377556091 467085793 /nfs/dbraw/zinc/08/57/93/467085793.db2.gz YDMPCWMHQPGFCU-QRVBRYPASA-N 2 0 346.519 2.375 10 0 EEAERP O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418344545 467096062 /nfs/dbraw/zinc/09/60/62/467096062.db2.gz SCPHHLRTNKHANN-QZTJIDSGSA-N 2 0 336.524 2.284 10 0 EEAERP CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418434917 467110239 /nfs/dbraw/zinc/11/02/39/467110239.db2.gz WEXOXLVTVYTHSU-IPMKNSEASA-N 2 0 344.503 2.420 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000418701497 467147680 /nfs/dbraw/zinc/14/76/80/467147680.db2.gz GLRLBAMDKYCACY-QKLQHJQFSA-N 2 0 344.503 2.420 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418702647 467147906 /nfs/dbraw/zinc/14/79/06/467147906.db2.gz HDRACIZNJWVHQM-SOLBZPMBSA-N 2 0 332.492 2.276 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H](C)[NH3+] ZINC000418720988 467149857 /nfs/dbraw/zinc/14/98/57/467149857.db2.gz KEDVMQVFMQQSCQ-FRQCXROJSA-N 2 0 330.476 2.030 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000378165860 467217275 /nfs/dbraw/zinc/21/72/75/467217275.db2.gz KVNDBJLPPMXMIV-HZEGPAAWSA-N 2 0 343.515 2.350 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000398095276 467447659 /nfs/dbraw/zinc/44/76/59/467447659.db2.gz XKRFKEKWPALEDO-BVBHFADKSA-N 2 0 329.488 2.388 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000453261029 467472020 /nfs/dbraw/zinc/47/20/20/467472020.db2.gz JSSBSXKEOSFIDV-HMXCVIKNSA-N 2 0 345.531 2.333 10 0 EEAERP COc1cc(C)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)n1 ZINC000415050613 467476046 /nfs/dbraw/zinc/47/60/46/467476046.db2.gz IVPUIMJGNTVSFW-UHFFFAOYSA-N 2 0 332.492 2.013 10 0 EEAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCNc2cnccn2)C3)cc1 ZINC000447582029 467587882 /nfs/dbraw/zinc/58/78/82/467587882.db2.gz XFSOKLFBZMCBCT-REPLKXPHSA-N 2 0 337.471 2.674 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000529322006 467845842 /nfs/dbraw/zinc/84/58/42/467845842.db2.gz JZVIFVPHJKLWCE-ZMSDIMECSA-N 2 0 334.508 2.223 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](C)C3)c(C)c2)CC1 ZINC000516876132 468052712 /nfs/dbraw/zinc/05/27/12/468052712.db2.gz NZYWFTSKPHHEOI-INIZCTEOSA-N 2 0 344.503 2.417 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000589768013 468183702 /nfs/dbraw/zinc/18/37/02/468183702.db2.gz XRRBTTLQPNWREV-SFHVURJKSA-N 2 0 332.492 2.374 10 0 EEAERP CCN(C[C@@H](O)C[N@H+](C)CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000570859952 468705147 /nfs/dbraw/zinc/70/51/47/468705147.db2.gz PZEIEQJVQFTGEI-IHPCNDPISA-N 2 0 333.520 2.456 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000594939822 468726915 /nfs/dbraw/zinc/72/69/15/468726915.db2.gz FMDXDTYCOQKKIS-NIKGAXFTSA-N 2 0 346.471 2.447 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000583822294 468762122 /nfs/dbraw/zinc/76/21/22/468762122.db2.gz HLSZVNWMQJALAT-LRVUVFPRSA-N 2 0 347.425 2.250 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000583822293 468762192 /nfs/dbraw/zinc/76/21/92/468762192.db2.gz HLSZVNWMQJALAT-GRTSSRMGSA-N 2 0 347.425 2.250 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000584709434 468917218 /nfs/dbraw/zinc/91/72/18/468917218.db2.gz FPMYEPGBFVAGFZ-FZCLSBEQSA-N 2 0 330.476 2.119 10 0 EEAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)O1 ZINC000572888680 469015722 /nfs/dbraw/zinc/01/57/22/469015722.db2.gz ZLCDPNNHFLTVHF-LZJOCLMNSA-N 2 0 343.515 2.406 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000625835115 469405390 /nfs/dbraw/zinc/40/53/90/469405390.db2.gz UDDINGSFULKPFE-FUHWJXTLSA-N 2 0 345.491 2.009 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000604106359 469457667 /nfs/dbraw/zinc/45/76/67/469457667.db2.gz LJJPTPHASWIVPN-ROUUACIJSA-N 2 0 330.476 2.044 10 0 EEAERP COc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629656398 469600227 /nfs/dbraw/zinc/60/02/27/469600227.db2.gz OGRFISZJNJTZDF-GHMZBOCLSA-N 2 0 328.254 2.330 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629660371 469601379 /nfs/dbraw/zinc/60/13/79/469601379.db2.gz SLAONZNEPFEBHV-IEBWSBKVSA-N 2 0 330.520 2.449 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000629673717 469603492 /nfs/dbraw/zinc/60/34/92/469603492.db2.gz FHYKEFCDPNYMFC-CYBMUJFWSA-N 2 0 337.414 2.131 10 0 EEAERP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623471681 469666850 /nfs/dbraw/zinc/66/68/50/469666850.db2.gz MADXFJXCUHUVFU-TTYHFUOFSA-N 2 0 343.515 2.300 10 0 EEAERP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623471680 469666857 /nfs/dbraw/zinc/66/68/57/469666857.db2.gz MADXFJXCUHUVFU-KNTRFNDTSA-N 2 0 343.515 2.300 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715045 469742670 /nfs/dbraw/zinc/74/26/70/469742670.db2.gz RKTHFKMOVDZMDE-FUHWJXTLSA-N 2 0 336.524 2.425 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)Cc1ccccc1 ZINC000626933287 469760881 /nfs/dbraw/zinc/76/08/81/469760881.db2.gz JMQICTIIGXRVKD-NEWSRXKRSA-N 2 0 346.519 2.379 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC000620192925 469785398 /nfs/dbraw/zinc/78/53/98/469785398.db2.gz WRELPNFNYHXTJB-RTBURBONSA-N 2 0 341.499 2.357 10 0 EEAERP C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011819 469789434 /nfs/dbraw/zinc/78/94/34/469789434.db2.gz KTYDRAVWPIKVKP-CPLUKWAASA-N 2 0 348.535 2.280 10 0 EEAERP 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ZINC000650745176 470957068 /nfs/dbraw/zinc/95/70/68/470957068.db2.gz BCLZHPLQRUYHIQ-IRXDYDNUSA-N 2 0 337.895 2.430 10 0 EEAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764576 470961085 /nfs/dbraw/zinc/96/10/85/470961085.db2.gz DLZHBXNAGLKUNO-QGTPRVQTSA-N 2 0 325.456 2.311 10 0 EEAERP COc1cc(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899148 471010817 /nfs/dbraw/zinc/01/08/17/471010817.db2.gz AVEYDSJYRDZYNR-KDOFPFPSSA-N 2 0 347.459 2.106 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000647902006 471012363 /nfs/dbraw/zinc/01/23/63/471012363.db2.gz YNDUOSXRUXSGAQ-NVXWUHKLSA-N 2 0 347.528 2.487 10 0 EEAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000654522514 471053498 /nfs/dbraw/zinc/05/34/98/471053498.db2.gz BTQWIZDKLKXJAN-LISAXSMJSA-N 2 0 336.524 2.279 10 0 EEAERP CCCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596003 471179976 /nfs/dbraw/zinc/17/99/76/471179976.db2.gz KRTLVCAFWWSBDA-LJQANCHMSA-N 2 0 328.460 2.150 10 0 EEAERP CCOc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657596386 471180313 /nfs/dbraw/zinc/18/03/13/471180313.db2.gz MSRSLAFQWQNRQF-IBGZPJMESA-N 2 0 341.455 2.337 10 0 EEAERP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)c2ccccc2)CC1 ZINC000657869606 471242807 /nfs/dbraw/zinc/24/28/07/471242807.db2.gz YBJRRKVIQAZTAS-RTBURBONSA-N 2 0 329.488 2.276 10 0 EEAERP O=C(CC[N@H+]1CCCC[C@H]1Cc1ccccc1F)N1CC[NH2+]CC1 ZINC000652358427 471278787 /nfs/dbraw/zinc/27/87/87/471278787.db2.gz CCIMZXGXHWDNIK-KRWDZBQOSA-N 2 0 333.451 2.045 10 0 EEAERP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCOC1 ZINC000660447426 471346462 /nfs/dbraw/zinc/34/64/62/471346462.db2.gz JZIRLBVBBFBEOW-YSTOQKLRSA-N 2 0 330.472 2.102 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)Cc1ccccc1 ZINC000663445493 471381106 /nfs/dbraw/zinc/38/11/06/471381106.db2.gz PJXQNFFPWVEACB-ZWKOTPCHSA-N 2 0 346.519 2.331 10 0 EEAERP C[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000655710810 471451809 /nfs/dbraw/zinc/45/18/09/471451809.db2.gz CRVZHOVPMHATDG-SJORKVTESA-N 2 0 334.533 2.467 10 0 EEAERP C[C@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1=CC[N@H+](C)CC1 ZINC000659037523 471479219 /nfs/dbraw/zinc/47/92/19/471479219.db2.gz JFPSKIQNCQSVMA-KSSFIOAISA-N 2 0 344.459 2.119 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420758 471491133 /nfs/dbraw/zinc/49/11/33/471491133.db2.gz VYEOIFZVFASTGZ-SZMVWBNQSA-N 2 0 330.476 2.030 10 0 EEAERP CCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663784849 471516942 /nfs/dbraw/zinc/51/69/42/471516942.db2.gz XGLNZGYELAKEST-IXDOHACOSA-N 2 0 338.540 2.479 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000661040525 471600228 /nfs/dbraw/zinc/60/02/28/471600228.db2.gz PJNTWZRJNDLDHP-IBGZPJMESA-N 2 0 344.503 2.100 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000667014040 471623715 /nfs/dbraw/zinc/62/37/15/471623715.db2.gz MJASYTMESSWVLI-MSOLQXFVSA-N 2 0 338.540 2.479 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659436109 471626621 /nfs/dbraw/zinc/62/66/21/471626621.db2.gz PJVZINRDDCGJSR-MSOLQXFVSA-N 2 0 332.492 2.496 10 0 EEAERP C[C@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000659438941 471628589 /nfs/dbraw/zinc/62/85/89/471628589.db2.gz PJCMOJOHEIVNDW-AEFFLSMTSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000659438942 471628824 /nfs/dbraw/zinc/62/88/24/471628824.db2.gz PJCMOJOHEIVNDW-FUHWJXTLSA-N 2 0 336.524 2.140 10 0 EEAERP Cc1cnc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656211812 471635710 /nfs/dbraw/zinc/63/57/10/471635710.db2.gz LTFFFOOZQIPNRN-HMQPTBHHSA-N 2 0 346.523 2.289 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659495383 471655867 /nfs/dbraw/zinc/65/58/67/471655867.db2.gz LAZGRGXXNHDBDC-IPMKNSEASA-N 2 0 344.503 2.306 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCCCC1 ZINC000659505499 471660769 /nfs/dbraw/zinc/66/07/69/471660769.db2.gz OSTRAAAIVGLMRK-KRWDZBQOSA-N 2 0 336.524 2.459 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659543312 471672488 /nfs/dbraw/zinc/67/24/88/471672488.db2.gz GJYIZBAYSVKDKB-XDXAGZTOSA-N 2 0 342.487 2.103 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000659601054 471696522 /nfs/dbraw/zinc/69/65/22/471696522.db2.gz PLVGQDKTDNHDBD-APWZRJJASA-N 2 0 334.508 2.179 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654377483 471934861 /nfs/dbraw/zinc/93/48/61/471934861.db2.gz MVCBMOIXSYZAQT-USTZCAOPSA-N 2 0 338.540 2.384 10 0 EEAERP CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000665234643 471975774 /nfs/dbraw/zinc/97/57/74/471975774.db2.gz HSRNAOIUAHSUKD-CYBMUJFWSA-N 2 0 326.444 2.336 10 0 EEAERP c1cc(C[N@@H+]2CCC3(COC3)C2)ccc1C[NH+]1CCC2(COC2)C1 ZINC000662075425 471977066 /nfs/dbraw/zinc/97/70/66/471977066.db2.gz XVGSOSIXSICWES-UHFFFAOYSA-N 2 0 328.456 2.131 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000665285611 471990501 /nfs/dbraw/zinc/99/05/01/471990501.db2.gz RMEQOXKVXIDSMO-HNNXBMFYSA-N 2 0 335.496 2.105 10 0 EEAERP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253859 472044644 /nfs/dbraw/zinc/04/46/44/472044644.db2.gz XDEMGGXYPXVNDI-MSOLQXFVSA-N 2 0 346.471 2.197 10 0 EEAERP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000662273170 472052248 /nfs/dbraw/zinc/05/22/48/472052248.db2.gz UMJGDNZQCPOQTF-HNNXBMFYSA-N 2 0 339.480 2.237 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000668660945 472213974 /nfs/dbraw/zinc/21/39/74/472213974.db2.gz IINKZMAEDVUZOD-RBSFLKMASA-N 2 0 336.505 2.182 10 0 EEAERP C[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662796596 472255864 /nfs/dbraw/zinc/25/58/64/472255864.db2.gz AMJMJQRBCMXNNW-WBMJQRKESA-N 2 0 339.842 2.470 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662881806 472289066 /nfs/dbraw/zinc/28/90/66/472289066.db2.gz BKRFQRUGZDXWTL-BGTYHANMSA-N 2 0 329.444 2.207 10 0 EEAERP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cscn1 ZINC000666079120 472298405 /nfs/dbraw/zinc/29/84/05/472298405.db2.gz NVGRRBIXINFZND-CQSZACIVSA-N 2 0 341.525 2.119 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530027076 485532677 /nfs/dbraw/zinc/53/26/77/485532677.db2.gz WPTCCHGVIASNNY-KRWDZBQOSA-N 2 0 345.487 2.374 10 0 EEAERP CN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000672683706 486162796 /nfs/dbraw/zinc/16/27/96/486162796.db2.gz FYOFGOIDKZYVQA-SJPCQFCGSA-N 2 0 340.431 2.356 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303053548 517644039 /nfs/dbraw/zinc/64/40/39/517644039.db2.gz YQBIWRWIQPKBPB-QBPKDAKJSA-N 2 0 326.529 2.382 10 0 EEAERP CCC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[NH+](C)C ZINC000179536976 528847556 /nfs/dbraw/zinc/84/75/56/528847556.db2.gz BQPRKYYDHYXVMC-SFHVURJKSA-N 2 0 332.492 2.497 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000448358805 534935730 /nfs/dbraw/zinc/93/57/30/534935730.db2.gz HOEKPIWJUXDFGV-IBGZPJMESA-N 2 0 331.504 2.421 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(-n2nc(C)cc2C)cc1 ZINC000422867407 536594671 /nfs/dbraw/zinc/59/46/71/536594671.db2.gz SCUSPDPJGWOVJV-GOSISDBHSA-N 2 0 330.476 2.375 10 0 EEAERP C(CCC[NH+]1CCN(C2CC2)CC1)CC[NH+]1CCN(C2CC2)CC1 ZINC000729814902 576683683 /nfs/dbraw/zinc/68/36/83/576683683.db2.gz JLWVETMKGXYRGE-UHFFFAOYSA-N 2 0 334.552 2.107 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccnc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000777285585 577476016 /nfs/dbraw/zinc/47/60/16/577476016.db2.gz BWKVZVJJWGIBIK-HIFRSBDPSA-N 2 0 340.899 2.478 10 0 EEAERP O=C(NCCNc1cc[nH+]cc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751105983 577748131 /nfs/dbraw/zinc/74/81/31/577748131.db2.gz HKFWVOPRQFTROT-UHFFFAOYSA-N 2 0 345.491 2.012 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc2)CC1 ZINC000743586556 577887524 /nfs/dbraw/zinc/88/75/24/577887524.db2.gz CEOOOWQZCOLDKF-LJQANCHMSA-N 2 0 346.519 2.145 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383917560 578266287 /nfs/dbraw/zinc/26/62/87/578266287.db2.gz QGGUSTDAUGARST-MISYRCLQSA-N 2 0 331.504 2.207 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc2c1CCOC2 ZINC000894762656 683079893 /nfs/dbraw/zinc/07/98/93/683079893.db2.gz WYGZINSVECCUOD-UHFFFAOYSA-N 2 0 333.520 2.465 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000914244920 683404836 /nfs/dbraw/zinc/40/48/36/683404836.db2.gz TUIUGQXNKXHLRX-KSSFIOAISA-N 2 0 348.466 2.182 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CC[C@H](C)F)C1 ZINC001485503412 1191818210 /nfs/dbraw/zinc/81/82/10/1191818210.db2.gz MKZXQRAXIDHIHT-LSDHHAIUSA-N 2 0 327.488 2.436 10 0 EEAERP CCc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001485629016 1191868394 /nfs/dbraw/zinc/86/83/94/1191868394.db2.gz XBKNGCSCBNISCN-OWZKRDHZSA-N 2 0 341.499 2.139 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC001485688797 1191898239 /nfs/dbraw/zinc/89/82/39/1191898239.db2.gz NIXDOGIRALCJLG-LNLFQRSKSA-N 2 0 345.487 2.034 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1)[NH+]1CCCC1 ZINC001485706348 1191899580 /nfs/dbraw/zinc/89/95/80/1191899580.db2.gz FJMLEDACYWBWSK-WDSOQIARSA-N 2 0 344.503 2.186 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001485705931 1191899586 /nfs/dbraw/zinc/89/95/86/1191899586.db2.gz PPIFNCYAIAHGMY-UFYCRDLUSA-N 2 0 343.515 2.228 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813128 1191977370 /nfs/dbraw/zinc/97/73/70/1191977370.db2.gz GDMHJNPRPFPHIC-RTBURBONSA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266441732 1176541017 /nfs/dbraw/zinc/54/10/17/1176541017.db2.gz LMRRTRBWPDSNNZ-UXHICEINSA-N 2 0 343.515 2.364 10 0 EEAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC(F)(F)C1 ZINC001480874533 1176543672 /nfs/dbraw/zinc/54/36/72/1176543672.db2.gz AJNQRWPJHMNDNZ-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cccc(C[N@H+](C)CCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001480879470 1176677118 /nfs/dbraw/zinc/67/71/18/1176677118.db2.gz MNWMQQLUSSDCRY-UHFFFAOYSA-N 2 0 329.488 2.419 10 0 EEAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC001480882571 1176806488 /nfs/dbraw/zinc/80/64/88/1176806488.db2.gz OXOOGJSMMNCHFN-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001266639567 1177040316 /nfs/dbraw/zinc/04/03/16/1177040316.db2.gz DAIGBFUHDDQOPF-JHJVBQTASA-N 2 0 336.307 2.147 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001266706429 1177236226 /nfs/dbraw/zinc/23/62/26/1177236226.db2.gz OQTAUPCWJVEBIW-LJJZPKPQSA-N 2 0 329.488 2.478 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(Cl)nc1)[NH+](C)C ZINC001691105609 1177584871 /nfs/dbraw/zinc/58/48/71/1177584871.db2.gz GVAFCVVIAMJRIX-LSDHHAIUSA-N 2 0 338.883 2.156 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001266885324 1177705325 /nfs/dbraw/zinc/70/53/25/1177705325.db2.gz DPTDSQHFYGTPNM-ROUUACIJSA-N 2 0 348.491 2.224 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001691310348 1177885206 /nfs/dbraw/zinc/88/52/06/1177885206.db2.gz ZULCXDQHUFCYLH-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001267022523 1178106185 /nfs/dbraw/zinc/10/61/85/1178106185.db2.gz JNAYJOQVPLYCCK-MOPGFXCFSA-N 2 0 329.488 2.152 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267087599 1178213528 /nfs/dbraw/zinc/21/35/28/1178213528.db2.gz UGYMTGAPLOYCSX-MSOLQXFVSA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC001267090643 1178218117 /nfs/dbraw/zinc/21/81/17/1178218117.db2.gz KBAXAZQNIMHGBQ-CABCVRRESA-N 2 0 338.521 2.392 10 0 EEAERP CC[NH2+]CCc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001267096032 1178229228 /nfs/dbraw/zinc/22/92/28/1178229228.db2.gz DAIRJYXVOOVBQC-UHFFFAOYSA-N 2 0 329.488 2.331 10 0 EEAERP COCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267112507 1178270833 /nfs/dbraw/zinc/27/08/33/1178270833.db2.gz ZNZMHFFGIHPFNF-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCOc1ccccc1 ZINC001267272268 1178652164 /nfs/dbraw/zinc/65/21/64/1178652164.db2.gz LCVXVMDVRRWJBW-IEBWSBKVSA-N 2 0 345.487 2.130 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001267390756 1178956439 /nfs/dbraw/zinc/95/64/39/1178956439.db2.gz UOIWVQVOMZTCAU-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCC1 ZINC001267436889 1179009653 /nfs/dbraw/zinc/00/96/53/1179009653.db2.gz OEYLTISFIVXRAV-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCN1Cc1cscn1 ZINC001481044956 1179623936 /nfs/dbraw/zinc/62/39/36/1179623936.db2.gz VSEYKKJAVOLJIU-HOTGVXAUSA-N 2 0 336.505 2.098 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001481056999 1179645557 /nfs/dbraw/zinc/64/55/57/1179645557.db2.gz DGZSBYOQEFSLGE-WMZOPIPTSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]CCCF)NC(=O)C[N@H+](C)C1CCC1 ZINC001267870159 1180658277 /nfs/dbraw/zinc/65/82/77/1180658277.db2.gz JCYOAWFXQCIPNS-MAUKXSAKSA-N 2 0 327.488 2.485 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001267899242 1180719373 /nfs/dbraw/zinc/71/93/73/1180719373.db2.gz DUVBXLUPDPTVHK-KGLIPLIRSA-N 2 0 348.318 2.475 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001267899244 1180719528 /nfs/dbraw/zinc/71/95/28/1180719528.db2.gz DUVBXLUPDPTVHK-ZIAGYGMSSA-N 2 0 348.318 2.475 10 0 EEAERP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001267938250 1180791402 /nfs/dbraw/zinc/79/14/02/1180791402.db2.gz PMZUTEBPMFIBRX-GOSISDBHSA-N 2 0 333.451 2.094 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)[C@H]2CCCC[NH+]2C)C(C)C)o1 ZINC001481350318 1181093324 /nfs/dbraw/zinc/09/33/24/1181093324.db2.gz KOSGFWQFBHEHPD-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001481373688 1181152621 /nfs/dbraw/zinc/15/26/21/1181152621.db2.gz BIHORBGJPFDGLR-RTBURBONSA-N 2 0 347.503 2.343 10 0 EEAERP CCCN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001481409597 1181242110 /nfs/dbraw/zinc/24/21/10/1181242110.db2.gz OXXLSTFGTGYJEU-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001481498397 1181569840 /nfs/dbraw/zinc/56/98/40/1181569840.db2.gz PSEYAUWWCNNPIE-DLBZAZTESA-N 2 0 332.492 2.334 10 0 EEAERP C[N@H+](CC(=O)NC1CN(C[C@H]2CCCC(F)(F)C2)C1)C1CCC1 ZINC001481564030 1181724683 /nfs/dbraw/zinc/72/46/83/1181724683.db2.gz BRNPOXAKNHEWJF-ZDUSSCGKSA-N 2 0 329.435 2.097 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC001268151434 1181840136 /nfs/dbraw/zinc/84/01/36/1181840136.db2.gz PHISJQROXISJHY-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001481710033 1182285484 /nfs/dbraw/zinc/28/54/84/1182285484.db2.gz QJDMYLTXDWFRJX-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC001481740208 1182463376 /nfs/dbraw/zinc/46/33/76/1182463376.db2.gz MNFUGKOBVUVZHH-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2ccnc2)C1)C1CCC1 ZINC001481754197 1182555228 /nfs/dbraw/zinc/55/52/28/1182555228.db2.gz KDWVHQBLPPKMRS-QZTJIDSGSA-N 2 0 348.491 2.011 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268452186 1182654699 /nfs/dbraw/zinc/65/46/99/1182654699.db2.gz XPHYPRSEGQOVGW-NVXWUHKLSA-N 2 0 335.467 2.147 10 0 EEAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCCF ZINC001483622979 1182730162 /nfs/dbraw/zinc/73/01/62/1182730162.db2.gz HOUMMUTZKICLOV-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001481948016 1183014657 /nfs/dbraw/zinc/01/46/57/1183014657.db2.gz LKNFDSGGCZCZMY-IBGZPJMESA-N 2 0 348.491 2.089 10 0 EEAERP CO[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481984923 1183086310 /nfs/dbraw/zinc/08/63/10/1183086310.db2.gz UYFXEUKJMUKLAE-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001482005343 1183111817 /nfs/dbraw/zinc/11/18/17/1183111817.db2.gz KNOOHICUDKFEAZ-KRWDZBQOSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001482024773 1183150751 /nfs/dbraw/zinc/15/07/51/1183150751.db2.gz JYFSAMNQEGCAJT-SHTZXODSSA-N 2 0 338.521 2.044 10 0 EEAERP CCC[N@H+](C)CC(=O)NCCC1CCN(Cc2nocc2C)CC1 ZINC001482050334 1183242709 /nfs/dbraw/zinc/24/27/09/1183242709.db2.gz WZDSPWLRAVHOFL-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268602500 1183509037 /nfs/dbraw/zinc/50/90/37/1183509037.db2.gz KRSKVWAJKWLNSA-DHJFXDNESA-N 2 0 327.472 2.466 10 0 EEAERP O=C(NC/C=C/C[NH2+]CC/C=C/c1ccccc1)C12CC[NH+](CC1)C2 ZINC001268614215 1183529363 /nfs/dbraw/zinc/52/93/63/1183529363.db2.gz TYOSFWMSQLRMPF-PKOYOFPESA-N 2 0 339.483 2.448 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001268625716 1183549151 /nfs/dbraw/zinc/54/91/51/1183549151.db2.gz KCMOYALCXRIAJM-LSLCWXNRSA-N 2 0 341.499 2.320 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccsc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268694565 1183621043 /nfs/dbraw/zinc/62/10/43/1183621043.db2.gz PCWZGNPLHKUQLV-HNNXBMFYSA-N 2 0 335.517 2.403 10 0 EEAERP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001268763975 1183679509 /nfs/dbraw/zinc/67/95/09/1183679509.db2.gz GCZSVQJWCMJDHR-HZPDHXFCSA-N 2 0 325.472 2.097 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001268768530 1183686084 /nfs/dbraw/zinc/68/60/84/1183686084.db2.gz YKYBZRZUTXKJFE-ZDUQJDDRSA-N 2 0 327.900 2.488 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268915591 1183824113 /nfs/dbraw/zinc/82/41/13/1183824113.db2.gz ONPMJPXEPKTMFL-AWEZNQCLSA-N 2 0 326.872 2.013 10 0 EEAERP C[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+]1CCCCCC1 ZINC001269124266 1183983069 /nfs/dbraw/zinc/98/30/69/1183983069.db2.gz HSYMGWNNSBOJAK-NZJBMZQBSA-N 2 0 327.900 2.488 10 0 EEAERP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001270041773 1184806649 /nfs/dbraw/zinc/80/66/49/1184806649.db2.gz IXWQLTAKCFBZOG-KZNAEPCWSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482305223 1185245804 /nfs/dbraw/zinc/24/58/04/1185245804.db2.gz UKELOXUFLLSNJG-INIZCTEOSA-N 2 0 347.478 2.433 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365537 1185520880 /nfs/dbraw/zinc/52/08/80/1185520880.db2.gz WMHQAYNUFDRWRI-LBPRGKRZSA-N 2 0 329.897 2.434 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c(C)n1 ZINC001482399120 1185616160 /nfs/dbraw/zinc/61/61/60/1185616160.db2.gz WOGFVTSCMVVWMP-IBGZPJMESA-N 2 0 346.519 2.415 10 0 EEAERP C[C@H](C[NH2+]CCCCCF)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001271013115 1185810940 /nfs/dbraw/zinc/81/09/40/1185810940.db2.gz LTNPMDNKHPKLHH-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001271576201 1186318963 /nfs/dbraw/zinc/31/89/63/1186318963.db2.gz MBRSKIZXMIBTJV-WBVHZDCISA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H](CNC(=O)C2([NH+](C)C)CCC2)C(C)C)cn1 ZINC001482532078 1186531741 /nfs/dbraw/zinc/53/17/41/1186531741.db2.gz DUGWJMUYEHGRCW-HZPDHXFCSA-N 2 0 347.507 2.061 10 0 EEAERP Cc1cc(C[NH2+][C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)C)on1 ZINC001482536111 1186572202 /nfs/dbraw/zinc/57/22/02/1186572202.db2.gz MCALUIYLNAQYQH-WBVHZDCISA-N 2 0 336.480 2.088 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001482550562 1186655648 /nfs/dbraw/zinc/65/56/48/1186655648.db2.gz QQGGDXTYMVPPMM-BPUTZDHNSA-N 2 0 345.478 2.492 10 0 EEAERP CC(C)C[C@@H](C(=O)N(C)CCN(C)Cc1ccccn1)n1ccnc1 ZINC001482606163 1187361535 /nfs/dbraw/zinc/36/15/35/1187361535.db2.gz OTXBMOHCVUWGBF-SFHVURJKSA-N 2 0 343.475 2.456 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC001482834832 1187753905 /nfs/dbraw/zinc/75/39/05/1187753905.db2.gz QHWXICBKYSNUGS-NZSAHSFTSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@H](CC[NH2+]Cc1noc2c1CCCC2)NC(=O)C[N@H+](C)C1CCC1 ZINC001482838485 1187757942 /nfs/dbraw/zinc/75/79/42/1187757942.db2.gz CDFBTJFLGVHRBK-CQSZACIVSA-N 2 0 348.491 2.022 10 0 EEAERP CCc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001482850216 1187768867 /nfs/dbraw/zinc/76/88/67/1187768867.db2.gz FQHXILJJQHJMIL-CQSZACIVSA-N 2 0 348.491 2.158 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001482902369 1187827979 /nfs/dbraw/zinc/82/79/79/1187827979.db2.gz QQESAPXSQXBJLQ-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cc(F)ccc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001483010093 1187993189 /nfs/dbraw/zinc/99/31/89/1187993189.db2.gz JARSBVUWZYWVRI-WZHGYECESA-N 2 0 349.425 2.069 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)CCC[NH+](C)C ZINC001483162021 1188984023 /nfs/dbraw/zinc/98/40/23/1188984023.db2.gz YUVXRAVSPWYOKT-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001409386306 1189607371 /nfs/dbraw/zinc/60/73/71/1189607371.db2.gz QCJYXGLJFZCYSC-JKSUJKDBSA-N 2 0 349.523 2.179 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001409386265 1189607711 /nfs/dbraw/zinc/60/77/11/1189607711.db2.gz QCJYXGLJFZCYSC-CVEARBPZSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001409424023 1189655867 /nfs/dbraw/zinc/65/58/67/1189655867.db2.gz ZRQVOVGYLGOXCI-LSDHHAIUSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001409478752 1189819963 /nfs/dbraw/zinc/81/99/63/1189819963.db2.gz UGXUKLVSPHLQHU-UONOGXRCSA-N 2 0 339.430 2.086 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001409668455 1190167929 /nfs/dbraw/zinc/16/79/29/1190167929.db2.gz UWLNPDHTGVRLRN-CABCVRRESA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001409672070 1190169084 /nfs/dbraw/zinc/16/90/84/1190169084.db2.gz ZSQWXLIKTPXEBI-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP COc1cc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C)ccc1C ZINC001409695790 1190205356 /nfs/dbraw/zinc/20/53/56/1190205356.db2.gz UTJOTCYXYGHXOI-MRXNPFEDSA-N 2 0 335.492 2.280 10 0 EEAERP C[C@@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)Cn1ccnc1 ZINC001483426809 1190474601 /nfs/dbraw/zinc/47/46/01/1190474601.db2.gz GSSYAKDQPNWMMA-IVEQORNPSA-N 2 0 326.444 2.423 10 0 EEAERP C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001486091473 1193678887 /nfs/dbraw/zinc/67/88/87/1193678887.db2.gz SIKXALOTCMOYCI-NVXWUHKLSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@H](NC(=O)C2([NH+](C)C)CCC2)C2CC2)o1 ZINC001483566647 1190556091 /nfs/dbraw/zinc/55/60/91/1190556091.db2.gz SDAPQQIIHTYMGO-HNNXBMFYSA-N 2 0 348.491 2.014 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)cc1F ZINC001483609308 1190588006 /nfs/dbraw/zinc/58/80/06/1190588006.db2.gz ZSYKHXPTBOMBNH-GOSISDBHSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001486125866 1193687719 /nfs/dbraw/zinc/68/77/19/1193687719.db2.gz BBWKKCTYEAGEGK-HKUYNNGSSA-N 2 0 341.499 2.294 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001486123209 1193688257 /nfs/dbraw/zinc/68/82/57/1193688257.db2.gz ZKAXWAOOFKZRIH-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1nc(C)c(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)o1 ZINC001409828043 1190662852 /nfs/dbraw/zinc/66/28/52/1190662852.db2.gz DBMCLZYRMMGGKJ-QGZVFWFLSA-N 2 0 348.491 2.248 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCF)CCCCC1 ZINC001272290738 1190745547 /nfs/dbraw/zinc/74/55/47/1190745547.db2.gz OEMRAWOCEUAZCN-HOTGVXAUSA-N 2 0 327.488 2.343 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001272523106 1190866085 /nfs/dbraw/zinc/86/60/85/1190866085.db2.gz BWBXJFCQLYDPGH-NVXWUHKLSA-N 2 0 335.517 2.479 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740939 1190890222 /nfs/dbraw/zinc/89/02/22/1190890222.db2.gz XKCZLENTNKVANL-HOCLYGCPSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001272598697 1190913329 /nfs/dbraw/zinc/91/33/29/1190913329.db2.gz JATAZICWDSCYJH-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001493720385 1191059279 /nfs/dbraw/zinc/05/92/79/1191059279.db2.gz LQFPOXJVJFTDGP-AEFFLSMTSA-N 2 0 347.507 2.157 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483847391 1191082154 /nfs/dbraw/zinc/08/21/54/1191082154.db2.gz LZTLDJNSEVYCIW-IEBWSBKVSA-N 2 0 339.499 2.392 10 0 EEAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CCc2ccccc2)CC1 ZINC001483976603 1191138731 /nfs/dbraw/zinc/13/87/31/1191138731.db2.gz XHWRYBJHHVRAPJ-UHFFFAOYSA-N 2 0 329.488 2.296 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001484010129 1191153554 /nfs/dbraw/zinc/15/35/54/1191153554.db2.gz VQHZHXXBUXHUSL-KDOFPFPSSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001484111166 1191217104 /nfs/dbraw/zinc/21/71/04/1191217104.db2.gz WWSXAIYWYWBPNQ-LJQANCHMSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484121366 1191221244 /nfs/dbraw/zinc/22/12/44/1191221244.db2.gz ALQJPNUXCKDGSL-OAHLLOKOSA-N 2 0 346.302 2.229 10 0 EEAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001484617181 1191443681 /nfs/dbraw/zinc/44/36/81/1191443681.db2.gz LSMKHLLLHUCHAV-GOSISDBHSA-N 2 0 339.524 2.258 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@@H](C[NH2+]CCC2CC2)C1 ZINC001484680060 1191464771 /nfs/dbraw/zinc/46/47/71/1191464771.db2.gz JTQVXFXLWVBFGK-OALUTQOASA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001484690699 1191468186 /nfs/dbraw/zinc/46/81/86/1191468186.db2.gz QRRUSLZKIFARGX-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP COc1cccc(C[N@H+](C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001484765712 1191520513 /nfs/dbraw/zinc/52/05/13/1191520513.db2.gz OVSQWMAQQNFZLW-GOSISDBHSA-N 2 0 347.503 2.317 10 0 EEAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001484864013 1191555189 /nfs/dbraw/zinc/55/51/89/1191555189.db2.gz KCZTYGPNWQMVTR-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC[N@H+](CCCF)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001485031272 1191621438 /nfs/dbraw/zinc/62/14/38/1191621438.db2.gz KEWXAPXWTJUGJV-SFHVURJKSA-N 2 0 339.499 2.248 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCOCC)C1 ZINC001485067734 1191635713 /nfs/dbraw/zinc/63/57/13/1191635713.db2.gz TXHNQLVUYDRFCZ-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485196814 1191682212 /nfs/dbraw/zinc/68/22/12/1191682212.db2.gz YGWUTEZFPKDMQW-KBPBESRZSA-N 2 0 338.471 2.181 10 0 EEAERP CC(C)OCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001485455357 1191791530 /nfs/dbraw/zinc/79/15/30/1191791530.db2.gz LYSUWRFFZBOUTG-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001486177175 1193715493 /nfs/dbraw/zinc/71/54/93/1193715493.db2.gz PMVQNNBTRRJEPJ-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001486209658 1193749968 /nfs/dbraw/zinc/74/99/68/1193749968.db2.gz AGUYXSLLVMBPBI-OCCSQVGLSA-N 2 0 335.414 2.155 10 0 EEAERP COCCCC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486235098 1193787286 /nfs/dbraw/zinc/78/72/86/1193787286.db2.gz RTWGFCCMSMQOTR-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)N(CC[N@H+](C)C[C@H]1CCO[C@H](C)C1)C(=O)C[NH+]1CCCC1 ZINC001486379906 1193891024 /nfs/dbraw/zinc/89/10/24/1193891024.db2.gz SQHPGRJHDLSGTN-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)[NH+](C)C ZINC001486401880 1193926890 /nfs/dbraw/zinc/92/68/90/1193926890.db2.gz AZFYOJHVOBODEP-VXGBXAGGSA-N 2 0 325.419 2.400 10 0 EEAERP CCc1onc(C)c1C[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001486518735 1194038388 /nfs/dbraw/zinc/03/83/88/1194038388.db2.gz GQSOOUOMIPFDEO-UHFFFAOYSA-N 2 0 348.491 2.136 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1C ZINC001273122870 1194405773 /nfs/dbraw/zinc/40/57/73/1194405773.db2.gz IXQAXUPRNQELNN-OAHLLOKOSA-N 2 0 345.487 2.084 10 0 EEAERP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702094021 1195725430 /nfs/dbraw/zinc/72/54/30/1195725430.db2.gz DGLBQAPXHUQBGM-SQGPQFPESA-N 2 0 329.488 2.340 10 0 EEAERP CC1(O)CCC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000702984853 1196221835 /nfs/dbraw/zinc/22/18/35/1196221835.db2.gz MZWCAWIUERIAFZ-UHFFFAOYSA-N 2 0 332.488 2.297 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)NCC[C@H]1CCCC1(C)C ZINC001414696378 1196324505 /nfs/dbraw/zinc/32/45/05/1196324505.db2.gz NCEPLTXIBHAJQN-MRXNPFEDSA-N 2 0 326.529 2.386 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001410246439 1197630889 /nfs/dbraw/zinc/63/08/89/1197630889.db2.gz XOIKXRHUTIMORL-IYARVYRRSA-N 2 0 329.488 2.464 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\c1ccccc1 ZINC001410374065 1197768454 /nfs/dbraw/zinc/76/84/54/1197768454.db2.gz HDPSEFWSKBNRBJ-UPVPCIMBSA-N 2 0 341.499 2.478 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001410412555 1197827973 /nfs/dbraw/zinc/82/79/73/1197827973.db2.gz GUGSPSKROTYCCN-GJZGRUSLSA-N 2 0 343.462 2.487 10 0 EEAERP C[C@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)[NH2+]C[C@H]1CCOC1 ZINC001410426500 1197865305 /nfs/dbraw/zinc/86/53/05/1197865305.db2.gz LDVWYZSFAPGUGG-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001410433208 1197878537 /nfs/dbraw/zinc/87/85/37/1197878537.db2.gz YPFJJTRIKYUXQX-ZWKOTPCHSA-N 2 0 346.519 2.449 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCOC4(CCCC4)C3)ccn2)CC1 ZINC000872023988 1198028136 /nfs/dbraw/zinc/02/81/36/1198028136.db2.gz WVULMMOWDAYREA-SFHVURJKSA-N 2 0 344.503 2.415 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C ZINC000872145723 1198054442 /nfs/dbraw/zinc/05/44/42/1198054442.db2.gz WIXVXMHMBVKDAN-SFHVURJKSA-N 2 0 346.471 2.372 10 0 EEAERP c1c(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)nnn1Cc1cccnc1 ZINC000873232636 1198537256 /nfs/dbraw/zinc/53/72/56/1198537256.db2.gz JZZFQDCLRQONMQ-GOSISDBHSA-N 2 0 340.475 2.123 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001410886690 1198538121 /nfs/dbraw/zinc/53/81/21/1198538121.db2.gz COYJHBCVXOWXDK-ZVZYQTTQSA-N 2 0 325.472 2.332 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH2+]CCCF ZINC001279181027 1198673922 /nfs/dbraw/zinc/67/39/22/1198673922.db2.gz CZZOVFXXUYYHKK-MAUKXSAKSA-N 2 0 339.499 2.152 10 0 EEAERP Cc1nc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)o1 ZINC001411115328 1198811419 /nfs/dbraw/zinc/81/14/19/1198811419.db2.gz WLRMEJVCULJYFC-BBRMVZONSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001411234758 1198945876 /nfs/dbraw/zinc/94/58/76/1198945876.db2.gz JMYOBUQJDOGQJT-AZWQULSGSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cncc(C(F)(F)F)c2)C1 ZINC000812305036 1200627080 /nfs/dbraw/zinc/62/70/80/1200627080.db2.gz XVBFOURTMVRWDS-CYBMUJFWSA-N 2 0 346.353 2.208 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000870866210 1200919516 /nfs/dbraw/zinc/91/95/16/1200919516.db2.gz WBULEKAVTBBFBN-UHFFFAOYSA-N 2 0 341.499 2.342 10 0 EEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870879446 1200927986 /nfs/dbraw/zinc/92/79/86/1200927986.db2.gz GUYGEZQRXUNEGA-RISCZKNCSA-N 2 0 342.281 2.295 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[N@@H+]1C ZINC000870893261 1200936930 /nfs/dbraw/zinc/93/69/30/1200936930.db2.gz LLRMMRXGGOIKRG-DDTOSNHZSA-N 2 0 340.265 2.048 10 0 EEAERP CC[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000870918801 1200952886 /nfs/dbraw/zinc/95/28/86/1200952886.db2.gz QDLAWMZSMHERFK-LXZJYRNTSA-N 2 0 327.472 2.067 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)cn2)CC1 ZINC000866225897 1201470177 /nfs/dbraw/zinc/47/01/77/1201470177.db2.gz GTFIWEAFVQPJFI-ICSRJNTNSA-N 2 0 344.503 2.271 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866241868 1201474167 /nfs/dbraw/zinc/47/41/67/1201474167.db2.gz GUPVCGNTAKFWCL-MOPGFXCFSA-N 2 0 344.503 2.271 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866411859 1201510685 /nfs/dbraw/zinc/51/06/85/1201510685.db2.gz XNZHHHDYDDKHBP-HOJAQTOUSA-N 2 0 345.531 2.332 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868103095 1201743773 /nfs/dbraw/zinc/74/37/73/1201743773.db2.gz OOEFMVLKZBBQJO-KURKYZTESA-N 2 0 336.524 2.377 10 0 EEAERP c1ccc(OCCN2CCOCC2)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000131284974 1202035273 /nfs/dbraw/zinc/03/52/73/1202035273.db2.gz AHRMPMYZUKTYOL-KRWDZBQOSA-N 2 0 336.501 2.383 10 0 EEAERP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925482707 1202287180 /nfs/dbraw/zinc/28/71/80/1202287180.db2.gz SWBDIKLZQRVRMF-CFVMTHIKSA-N 2 0 339.505 2.151 10 0 EEAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886639827 1202538529 /nfs/dbraw/zinc/53/85/29/1202538529.db2.gz MMTSSSDLPKZXCY-NMLBUPMWSA-N 2 0 327.472 2.250 10 0 EEAERP Cc1cncn1CC(=O)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1 ZINC001274203173 1204458058 /nfs/dbraw/zinc/45/80/58/1204458058.db2.gz VUDVEZMYJMAYDX-IHWYPQMZSA-N 2 0 349.438 2.202 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274499992 1205059080 /nfs/dbraw/zinc/05/90/80/1205059080.db2.gz ZJMJCNWJQHGSQO-PYTPGESOSA-N 2 0 329.488 2.407 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274608235 1205095987 /nfs/dbraw/zinc/09/59/87/1205095987.db2.gz DUGBJVHWTAAXAK-PHWHVTFISA-N 2 0 344.503 2.272 10 0 EEAERP C[C@H](C[NH2+]CCc1ccns1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001274957534 1205220233 /nfs/dbraw/zinc/22/02/33/1205220233.db2.gz WHZJDYKJOLOXEF-CQSZACIVSA-N 2 0 346.500 2.155 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001274996763 1205227421 /nfs/dbraw/zinc/22/74/21/1205227421.db2.gz FORGLTWDJRFRTK-ZWKOTPCHSA-N 2 0 339.524 2.255 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001275003957 1205232010 /nfs/dbraw/zinc/23/20/10/1205232010.db2.gz HFERLKMUXZRXSM-RJXMKIDGSA-N 2 0 333.879 2.390 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)n1 ZINC001275037803 1205241527 /nfs/dbraw/zinc/24/15/27/1205241527.db2.gz CGTLOWJSSGTRJL-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001275071845 1205248982 /nfs/dbraw/zinc/24/89/82/1205248982.db2.gz JAGQADIWOOHVGC-KZNAEPCWSA-N 2 0 333.451 2.202 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CCn1ccnc1 ZINC001275251335 1205290916 /nfs/dbraw/zinc/29/09/16/1205290916.db2.gz NJDPBMZUMNIVFI-UONOGXRCSA-N 2 0 328.407 2.193 10 0 EEAERP CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001275311040 1205306293 /nfs/dbraw/zinc/30/62/93/1205306293.db2.gz WPCJXLISIJTETQ-PESDSKBTSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nccs2)ccc2c[nH+]cn21 ZINC001275434577 1205360019 /nfs/dbraw/zinc/36/00/19/1205360019.db2.gz WKISADACJQDTSZ-NEPJUHHUSA-N 2 0 343.456 2.396 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)CC[N@@H+]1C ZINC001411908609 1205589470 /nfs/dbraw/zinc/58/94/70/1205589470.db2.gz IEZYRMORFRHPDA-RDJZCZTQSA-N 2 0 333.476 2.013 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1 ZINC001276093862 1205778836 /nfs/dbraw/zinc/77/88/36/1205778836.db2.gz ZGXYQYZVJGBMJV-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2cccc(Cl)n2)C1 ZINC001276227172 1205843949 /nfs/dbraw/zinc/84/39/49/1205843949.db2.gz NLHHZPUGVDSTPN-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP O=C(NC1(C[NH2+]CCC(F)(F)F)CCCCC1)C12CC[NH+](CC1)C2 ZINC001276236896 1205849290 /nfs/dbraw/zinc/84/92/90/1205849290.db2.gz ALCDANZGUCRUPX-UHFFFAOYSA-N 2 0 347.425 2.443 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)ccn2)CC1 ZINC000924689776 1206018388 /nfs/dbraw/zinc/01/83/88/1206018388.db2.gz MPLPJBSLCLIZDC-AZUAARDMSA-N 2 0 344.503 2.128 10 0 EEAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000924807395 1206034784 /nfs/dbraw/zinc/03/47/84/1206034784.db2.gz LPAVXZYJNXDXLY-MJGOQNOKSA-N 2 0 334.508 2.253 10 0 EEAERP C[C@@H]1CN(Cc2ccccc2NC(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC000925396698 1206106636 /nfs/dbraw/zinc/10/66/36/1206106636.db2.gz BRTJEDSFNAVNRQ-INMHGKMJSA-N 2 0 346.475 2.121 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925480777 1206117813 /nfs/dbraw/zinc/11/78/13/1206117813.db2.gz XCTVHSODBDXQNI-OALUTQOASA-N 3 0 347.503 2.003 10 0 EEAERP Cn1cc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cn1 ZINC000925520961 1206122435 /nfs/dbraw/zinc/12/24/35/1206122435.db2.gz YXYPPFLGDDNUFN-UHOSZYNNSA-N 2 0 331.508 2.147 10 0 EEAERP CC1(C)[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535134 1206124617 /nfs/dbraw/zinc/12/46/17/1206124617.db2.gz BYIIJEAOWJCINB-IKGGRYGDSA-N 2 0 331.460 2.250 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925551151 1206126658 /nfs/dbraw/zinc/12/66/58/1206126658.db2.gz FINXGUVLLGLRTI-BEFAXECRSA-N 2 0 345.487 2.404 10 0 EEAERP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)cn2)CCO1 ZINC000925552367 1206126871 /nfs/dbraw/zinc/12/68/71/1206126871.db2.gz IZFDZZYNSZVVRO-PVAVHDDUSA-N 2 0 332.492 2.302 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H]3CC[NH2+]C3(C)C)C2)c1 ZINC000925552632 1206127123 /nfs/dbraw/zinc/12/71/23/1206127123.db2.gz LJDYXTFKSTZXKY-KSSFIOAISA-N 2 0 333.476 2.260 10 0 EEAERP COc1ccc([C@H](CN[C@H]2CC[NH2+]C23CCC3)[NH+](C)C)cc1OC ZINC000925620014 1206136359 /nfs/dbraw/zinc/13/63/59/1206136359.db2.gz DGQGYQKZILKVLA-YJBOKZPZSA-N 2 0 333.476 2.181 10 0 EEAERP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925817745 1206157495 /nfs/dbraw/zinc/15/74/95/1206157495.db2.gz WHXZJTIMXMWNKU-OALUTQOASA-N 2 0 345.487 2.181 10 0 EEAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837199 1206158644 /nfs/dbraw/zinc/15/86/44/1206158644.db2.gz COOLKPCOQYBDOO-DGCLKSJQSA-N 2 0 327.270 2.242 10 0 EEAERP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000925876512 1206163245 /nfs/dbraw/zinc/16/32/45/1206163245.db2.gz AEQHTPUCDVQVIE-MCIONIFRSA-N 2 0 335.448 2.138 10 0 EEAERP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926155566 1206199374 /nfs/dbraw/zinc/19/93/74/1206199374.db2.gz LKQXECJBJRRWQG-HZPDHXFCSA-N 2 0 334.489 2.107 10 0 EEAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000926492334 1206223914 /nfs/dbraw/zinc/22/39/14/1206223914.db2.gz LXXCVLCLNAANGX-AQNXPRMDSA-N 2 0 332.488 2.056 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000928096236 1206341942 /nfs/dbraw/zinc/34/19/42/1206341942.db2.gz QYRIZKKRXAJBKC-SJORKVTESA-N 2 0 333.501 2.058 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000928435389 1206382924 /nfs/dbraw/zinc/38/29/24/1206382924.db2.gz LZJLCVPCJHPDFK-QRQLOZEOSA-N 2 0 329.488 2.150 10 0 EEAERP COc1ccc2c(c1)C[C@H](C[NH+]1CCC(C[NH+]3CCOCC3)CC1)O2 ZINC000929283045 1206462488 /nfs/dbraw/zinc/46/24/88/1206462488.db2.gz GDFCKHSEEFOILZ-LJQANCHMSA-N 2 0 346.471 2.043 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)C3(O)CCC3)C2)s1 ZINC000930373621 1206553247 /nfs/dbraw/zinc/55/32/47/1206553247.db2.gz MOCIXCMMVGILBX-WBVHZDCISA-N 2 0 338.517 2.086 10 0 EEAERP COC/C(C)=C\C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000930451924 1206559003 /nfs/dbraw/zinc/55/90/03/1206559003.db2.gz XFZMUIARWKFWLX-OCKHKDLRSA-N 2 0 331.504 2.329 10 0 EEAERP CN(CCC[N@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC[NH+](C)C ZINC000930499177 1206562662 /nfs/dbraw/zinc/56/26/62/1206562662.db2.gz ITIJVGCHNZWGQG-CABCVRRESA-N 2 0 339.446 2.302 10 0 EEAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC[C@@H](O)c3ccccc3)C2)C1 ZINC000930575981 1206567999 /nfs/dbraw/zinc/56/79/99/1206567999.db2.gz GFDRMVUOJKRAEO-AQNXPRMDSA-N 2 0 332.488 2.279 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001276353719 1213897978 /nfs/dbraw/zinc/89/79/78/1213897978.db2.gz SFGQSYSOGUHXSI-IBGZPJMESA-N 2 0 333.451 2.250 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C12CC[NH+](CC1)C2 ZINC001276332195 1215749798 /nfs/dbraw/zinc/74/97/98/1215749798.db2.gz BUWMXBHRBBBBOX-UHFFFAOYSA-N 2 0 348.491 2.006 10 0 EEAERP CN(CCC[NH2+]Cc1ccccc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001276333757 1215754751 /nfs/dbraw/zinc/75/47/51/1215754751.db2.gz VTNRZZIQBMSPIB-UHFFFAOYSA-N 2 0 335.879 2.374 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000901064270 1235177089 /nfs/dbraw/zinc/17/70/89/1235177089.db2.gz OBWDBWRMYKVYEW-DZFIZOCASA-N 2 0 341.499 2.355 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC2([NH+](C)C)CCCC2)cc(Cl)n1 ZINC000827032772 1249488464 /nfs/dbraw/zinc/48/84/64/1249488464.db2.gz NUCXZLOADIJPBK-AWEZNQCLSA-N 2 0 338.883 2.424 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001413478121 1238788691 /nfs/dbraw/zinc/78/86/91/1238788691.db2.gz RZRWELRONLVCLI-WMZOPIPTSA-N 2 0 330.476 2.239 10 0 EEAERP CCO[C@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000902922544 1239099753 /nfs/dbraw/zinc/09/97/53/1239099753.db2.gz TYUKWQQWTYILGK-IKGGRYGDSA-N 2 0 327.513 2.016 10 0 EEAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC000902981926 1239260171 /nfs/dbraw/zinc/26/01/71/1239260171.db2.gz SKDCHHIXDRLINC-WMZOPIPTSA-N 2 0 331.504 2.242 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)C1 ZINC000903048910 1239616360 /nfs/dbraw/zinc/61/63/60/1239616360.db2.gz YEIMBWUPYKJGFN-ZZAJFKAYSA-N 2 0 342.483 2.156 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)C[C@H]1CC[NH3+] ZINC000903496546 1240672870 /nfs/dbraw/zinc/67/28/70/1240672870.db2.gz RVRHMJOGUFUARU-HZPDHXFCSA-N 2 0 335.517 2.202 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)cnn1C ZINC000903937118 1242582252 /nfs/dbraw/zinc/58/22/52/1242582252.db2.gz BODQDUQPIZQIOS-UTKZUKDTSA-N 2 0 338.499 2.436 10 0 EEAERP OC[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000903939884 1242600869 /nfs/dbraw/zinc/60/08/69/1242600869.db2.gz PQOPNBRKUULBHH-WMHQRMGPSA-N 2 0 339.277 2.460 10 0 EEAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956095 1242709020 /nfs/dbraw/zinc/70/90/20/1242709020.db2.gz GUPAPBJACNXEDL-VXGBXAGGSA-N 2 0 329.366 2.377 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001491026037 1258583920 /nfs/dbraw/zinc/58/39/20/1258583920.db2.gz SNWKTMIDLAZGAK-GASCZTMLSA-N 2 0 348.491 2.157 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001491031514 1258589260 /nfs/dbraw/zinc/58/92/60/1258589260.db2.gz MANQTNLBZPWKAJ-GASCZTMLSA-N 2 0 348.491 2.373 10 0 EEAERP CCOC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001491054732 1258623753 /nfs/dbraw/zinc/62/37/53/1258623753.db2.gz CMFDSIMBGHDETH-HPZPOOBXSA-N 2 0 339.524 2.016 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491121944 1258707524 /nfs/dbraw/zinc/70/75/24/1258707524.db2.gz CUSNIKKUHITXBZ-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491122593 1258711486 /nfs/dbraw/zinc/71/14/86/1258711486.db2.gz LCPACPHPDBXUEZ-SFHVURJKSA-N 2 0 347.503 2.227 10 0 EEAERP CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001491331000 1258964347 /nfs/dbraw/zinc/96/43/47/1258964347.db2.gz UQLNLAZCQLRDSZ-QXCZDIPSSA-N 2 0 333.520 2.486 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)NC(=O)OC(C)(C)C ZINC000850282174 1277137423 /nfs/dbraw/zinc/13/74/23/1277137423.db2.gz VFGIJFNYLXXXOR-ZDUSSCGKSA-N 2 0 331.420 2.270 10 0 EEAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n(C)n1 ZINC000850510226 1277254262 /nfs/dbraw/zinc/25/42/62/1277254262.db2.gz WEVKVOZEHGJTJO-MAUKXSAKSA-N 2 0 328.460 2.146 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001489231699 1290481755 /nfs/dbraw/zinc/48/17/55/1290481755.db2.gz OEARFCWNSRGELP-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](O)CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001489348421 1290532401 /nfs/dbraw/zinc/53/24/01/1290532401.db2.gz VFVLLSZLJWKNBB-DLBZAZTESA-N 2 0 341.540 2.096 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001490561196 1291458537 /nfs/dbraw/zinc/45/85/37/1291458537.db2.gz XTLJSNPZVZWBEM-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001490702030 1291635963 /nfs/dbraw/zinc/63/59/63/1291635963.db2.gz WMVYNVHRRUGTNQ-CJNGLKHVSA-N 2 0 344.459 2.325 10 0 EEAERP C[C@H]([NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccc(F)cc1 ZINC001490729882 1291709288 /nfs/dbraw/zinc/70/92/88/1291709288.db2.gz YIUFFCARVLFXFL-KBXCAEBGSA-N 2 0 345.462 2.467 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852871389 1292222585 /nfs/dbraw/zinc/22/25/85/1292222585.db2.gz NCIACYZTPJZMFU-APWZRJJASA-N 2 0 327.472 2.323 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857864849 1293934723 /nfs/dbraw/zinc/93/47/23/1293934723.db2.gz JTFLBQVMUKHVFZ-ZWKOTPCHSA-N 2 0 326.444 2.144 10 0 EEAERP Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Br)n1 ZINC000858196012 1294041947 /nfs/dbraw/zinc/04/19/47/1294041947.db2.gz GFRUQNYRGJSKAO-UHFFFAOYSA-N 2 0 341.297 2.394 10 0 EEAERP COCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491168411 1299649173 /nfs/dbraw/zinc/64/91/73/1299649173.db2.gz FMYNLXIQXZQDOC-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001277290759 1302214362 /nfs/dbraw/zinc/21/43/62/1302214362.db2.gz MHNMXCBSUMIGRH-HNNXBMFYSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](O)CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001277955821 1305297107 /nfs/dbraw/zinc/29/71/07/1305297107.db2.gz CBQQSRYHORMTDP-QFBILLFUSA-N 2 0 347.503 2.103 10 0 EEAERP CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001278302091 1309178864 /nfs/dbraw/zinc/17/88/64/1309178864.db2.gz TWNZIVYTUPSOSL-QFBILLFUSA-N 2 0 347.503 2.020 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)CN1C(=O)CCCC[NH+](C)C ZINC001278417330 1310173116 /nfs/dbraw/zinc/17/31/16/1310173116.db2.gz UWZCTKSRHQUHNX-ZBFHGGJFSA-N 2 0 348.491 2.363 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)CCCC[NH+](C)C)CCC[C@H]23)on1 ZINC001278467207 1310440888 /nfs/dbraw/zinc/44/08/88/1310440888.db2.gz OXCYVTBUVAAXNJ-HKUYNNGSSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc(Cl)n1 ZINC000841849249 1315622444 /nfs/dbraw/zinc/62/24/44/1315622444.db2.gz DUOHRRGXLGZVFM-CQSZACIVSA-N 2 0 345.834 2.113 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(Cl)n1 ZINC000841850807 1315622453 /nfs/dbraw/zinc/62/24/53/1315622453.db2.gz DUTLNSFIDHZTGN-WMLDXEAASA-N 2 0 336.867 2.035 10 0 EEAERP FC(F)[C@H]1C[NH2+]CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000843124727 1315848709 /nfs/dbraw/zinc/84/87/09/1315848709.db2.gz LJTGCCOBCOHIPF-QGZVFWFLSA-N 2 0 339.430 2.200 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001278570903 1317257597 /nfs/dbraw/zinc/25/75/97/1317257597.db2.gz AKSRAWLPTJDXLA-HNNXBMFYSA-N 2 0 337.430 2.499 10 0 EEAERP CC(C)CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728909 1317879380 /nfs/dbraw/zinc/87/93/80/1317879380.db2.gz WZMLRMOIARIXKV-KRWDZBQOSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C[NH2+]CCCF ZINC001279102744 1319271492 /nfs/dbraw/zinc/27/14/92/1319271492.db2.gz JDFDNSLUKNEIPQ-DZGCQCFKSA-N 2 0 341.496 2.467 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC[N@@H+]1CCCOC ZINC001264071758 1322605746 /nfs/dbraw/zinc/60/57/46/1322605746.db2.gz NCVZGZSDFXMACC-KSZLIROESA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCCCOC ZINC001264617511 1322751959 /nfs/dbraw/zinc/75/19/59/1322751959.db2.gz QOJZLTOFZCRPBS-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC1CCC2(CC2)CC1 ZINC001265058105 1322898333 /nfs/dbraw/zinc/89/83/33/1322898333.db2.gz IHKFCHGWJJFNHW-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001265531289 1323206981 /nfs/dbraw/zinc/20/69/81/1323206981.db2.gz FXARLKYZQUMHAJ-CEXWTWQISA-N 2 0 329.488 2.259 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CCCOC ZINC001265697379 1323330634 /nfs/dbraw/zinc/33/06/34/1323330634.db2.gz RUTPANQOZNAJRR-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)=CC[NH2+]C1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001265735351 1323356355 /nfs/dbraw/zinc/35/63/55/1323356355.db2.gz RBHRJZQTIGUTBL-UHFFFAOYSA-N 2 0 347.507 2.042 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C\c2ccccc2)C1 ZINC001265923667 1323490089 /nfs/dbraw/zinc/49/00/89/1323490089.db2.gz URSAXYJLVJMWNC-OEPRFQHASA-N 2 0 329.488 2.480 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)Cc1cc(C)no1 ZINC001266054584 1323606358 /nfs/dbraw/zinc/60/63/58/1323606358.db2.gz XAYRXKSVNZTZMM-UHFFFAOYSA-N 2 0 348.491 2.187 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]Cc3ccsc3)C2)CC1 ZINC001280172143 1324102766 /nfs/dbraw/zinc/10/27/66/1324102766.db2.gz CYDYYYMCOFXWTF-OAHLLOKOSA-N 2 0 335.517 2.418 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001280263126 1324133367 /nfs/dbraw/zinc/13/33/67/1324133367.db2.gz DHRWFGRYGZPHAL-PKOBYXMFSA-N 2 0 346.519 2.304 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC001276552488 1324275543 /nfs/dbraw/zinc/27/55/43/1324275543.db2.gz JJWOWSKQACPPGR-OELZETHLSA-N 2 0 327.472 2.278 10 0 EEAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001284094700 1326403782 /nfs/dbraw/zinc/40/37/82/1326403782.db2.gz ANUMIISXERATTE-FGTMMUONSA-N 2 0 331.504 2.265 10 0 EEAERP COCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001284967240 1326799937 /nfs/dbraw/zinc/79/99/37/1326799937.db2.gz NCVUVOWVDKXFDW-MOPGFXCFSA-N 2 0 349.519 2.178 10 0 EEAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001491682735 1330204383 /nfs/dbraw/zinc/20/43/83/1330204383.db2.gz OVICWQXNUOLUGL-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001491685204 1330205292 /nfs/dbraw/zinc/20/52/92/1330205292.db2.gz YFKVLHJBQOBUSM-GDBMZVCRSA-N 2 0 338.521 2.166 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)c1Cl ZINC001491675105 1330222132 /nfs/dbraw/zinc/22/21/32/1330222132.db2.gz RVTHSZQIOINDDH-CYBMUJFWSA-N 2 0 339.867 2.039 10 0 EEAERP CC[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001491943954 1330335058 /nfs/dbraw/zinc/33/50/58/1330335058.db2.gz PUXAATRNYKSEHE-DLBZAZTESA-N 2 0 339.524 2.209 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@H]2CCC[N@H+]2C)oc1C ZINC001492144288 1331006566 /nfs/dbraw/zinc/00/65/66/1331006566.db2.gz UVHGYVWOPJIAGQ-DLBZAZTESA-N 2 0 348.491 2.246 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC001492175907 1331054351 /nfs/dbraw/zinc/05/43/51/1331054351.db2.gz NKJACBZZLJACKC-PKOBYXMFSA-N 2 0 344.503 2.284 10 0 EEAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001492401938 1331218956 /nfs/dbraw/zinc/21/89/56/1331218956.db2.gz HQLYONYPSLZEOU-UHFFFAOYSA-N 2 0 332.275 2.493 10 0 EEAERP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1CC[NH2+]CCF ZINC001316682904 1331318522 /nfs/dbraw/zinc/31/85/22/1331318522.db2.gz PLDHLBKGOJHKGM-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@@H]1CCCCO1 ZINC001316893632 1331959456 /nfs/dbraw/zinc/95/94/56/1331959456.db2.gz ZLYAVHFZNFUIFD-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317058612 1332064707 /nfs/dbraw/zinc/06/47/07/1332064707.db2.gz FFHLZLSCMZSTJK-INIZCTEOSA-N 2 0 339.524 2.255 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCCCF)CC2)CC1 ZINC001317220110 1332141790 /nfs/dbraw/zinc/14/17/90/1332141790.db2.gz ISTMEBCIXWCEMS-UHFFFAOYSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1cnc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001317428175 1332231883 /nfs/dbraw/zinc/23/18/83/1332231883.db2.gz AWZDZSNVBRMDTO-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001318484376 1332549168 /nfs/dbraw/zinc/54/91/68/1332549168.db2.gz JTSVTFFSEDWZRF-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)co1 ZINC001318822095 1332604604 /nfs/dbraw/zinc/60/46/04/1332604604.db2.gz AQWWMTVBJOWGJR-MRXNPFEDSA-N 2 0 348.491 2.043 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319435395 1332700653 /nfs/dbraw/zinc/70/06/53/1332700653.db2.gz CMTUDHWIEPMKCW-MSOLQXFVSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001319808910 1332772929 /nfs/dbraw/zinc/77/29/29/1332772929.db2.gz LVWUUPNNALGVQH-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP COCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001319870260 1332789578 /nfs/dbraw/zinc/78/95/78/1332789578.db2.gz SSKIJECQISKGPN-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc2cccnc21)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320370995 1332869820 /nfs/dbraw/zinc/86/98/20/1332869820.db2.gz JBXOOZMXLHGQFP-QAPCUYQASA-N 2 0 340.471 2.313 10 0 EEAERP CC(C)n1ccc(C[NH2+]CC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001320476321 1332893023 /nfs/dbraw/zinc/89/30/23/1332893023.db2.gz MVGRMMWEQDFXTG-MRXNPFEDSA-N 2 0 347.507 2.077 10 0 EEAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320819460 1332959642 /nfs/dbraw/zinc/95/96/42/1332959642.db2.gz JEQPEDTVLNGAKG-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001321184946 1333039692 /nfs/dbraw/zinc/03/96/92/1333039692.db2.gz INVQUFGCTSOHBF-ARJAWSKDSA-N 2 0 329.435 2.168 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321249991 1333055341 /nfs/dbraw/zinc/05/53/41/1333055341.db2.gz MYNHZHPSHORAKO-WVBURXTLSA-N 2 0 331.451 2.209 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001321305129 1333069511 /nfs/dbraw/zinc/06/95/11/1333069511.db2.gz QRUUWOAESZEWBP-WAYWQWQTSA-N 2 0 348.491 2.039 10 0 EEAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338357 1333078285 /nfs/dbraw/zinc/07/82/85/1333078285.db2.gz RGPCNLAZDSQCBU-XYBNCVKDSA-N 2 0 331.435 2.245 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001321417158 1333099034 /nfs/dbraw/zinc/09/90/34/1333099034.db2.gz OTEHYXNNOFWJAD-ONEGZZNKSA-N 2 0 330.476 2.028 10 0 EEAERP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322158758 1333219579 /nfs/dbraw/zinc/21/95/79/1333219579.db2.gz CTLQTQDCAPOIMA-MGPQQGTHSA-N 2 0 337.430 2.496 10 0 EEAERP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322358522 1333253330 /nfs/dbraw/zinc/25/33/30/1333253330.db2.gz HHYDSMDGJMRTNW-MOPGFXCFSA-N 2 0 347.503 2.273 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCCCCF)C1 ZINC001323791156 1333539763 /nfs/dbraw/zinc/53/97/63/1333539763.db2.gz UPUPYXTXKNVJJI-YESZJQIVSA-N 2 0 325.472 2.143 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCCOc1ccccc1 ZINC001324273512 1333647075 /nfs/dbraw/zinc/64/70/75/1333647075.db2.gz MLOYBNWQNJQVIB-GOSISDBHSA-N 2 0 345.487 2.132 10 0 EEAERP O=C(N(CC[NH2+]CCF)Cc1ccccc1)C12CCC[NH+]1CCC2 ZINC001325694525 1333941944 /nfs/dbraw/zinc/94/19/44/1333941944.db2.gz VSONHJIQXCELAW-UHFFFAOYSA-N 2 0 333.451 2.203 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001327080920 1334217403 /nfs/dbraw/zinc/21/74/03/1334217403.db2.gz NSAHJCPUFGHPBV-LJQANCHMSA-N 2 0 347.503 2.225 10 0 EEAERP CO[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327542253 1334312223 /nfs/dbraw/zinc/31/22/23/1334312223.db2.gz UDYOJFPRWKIDBR-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP CC1([NH2+]CCCF)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001327996170 1334375963 /nfs/dbraw/zinc/37/59/63/1334375963.db2.gz SQTQRJWSVCULSQ-HZPDHXFCSA-N 2 0 325.472 2.334 10 0 EEAERP O=C(CCc1c[nH]cn1)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001328868779 1334537612 /nfs/dbraw/zinc/53/76/12/1334537612.db2.gz GKKKBYOCIQDBEK-UHFFFAOYSA-N 2 0 347.850 2.075 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001328928111 1334549350 /nfs/dbraw/zinc/54/93/50/1334549350.db2.gz NGKINZPTIYFREA-RDGONNJOSA-N 2 0 327.900 2.486 10 0 EEAERP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001329307171 1334624118 /nfs/dbraw/zinc/62/41/18/1334624118.db2.gz IYCFLEQGDISSEY-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001330431649 1334843661 /nfs/dbraw/zinc/84/36/61/1334843661.db2.gz UQDWCFITZTYKGR-WMZOPIPTSA-N 2 0 349.519 2.034 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C[C@@H]1C ZINC001332052441 1335715149 /nfs/dbraw/zinc/71/51/49/1335715149.db2.gz YNUHIBIFCJGCBZ-DZGCQCFKSA-N 2 0 338.883 2.156 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001332217176 1335769840 /nfs/dbraw/zinc/76/98/40/1335769840.db2.gz GXCAIRQAPLWQHM-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)[N@H+]1CC=C(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001333407280 1336037866 /nfs/dbraw/zinc/03/78/66/1336037866.db2.gz URKRLIYIEFNZGL-GOSISDBHSA-N 2 0 325.472 2.356 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[N@H+](Cc2ccccn2)C2CC2)CCC1 ZINC001479871354 1337489813 /nfs/dbraw/zinc/48/98/13/1337489813.db2.gz FVEXACFDPPBAQB-UHFFFAOYSA-N 2 0 330.476 2.037 10 0 EEAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCOC1CCCCCC1 ZINC001480474963 1338258938 /nfs/dbraw/zinc/25/89/38/1338258938.db2.gz NISXFBOCJMCSRR-INIZCTEOSA-N 2 0 339.524 2.304 10 0 EEAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001480531028 1338309532 /nfs/dbraw/zinc/30/95/32/1338309532.db2.gz SVQNFRIXUWGCCK-KGLIPLIRSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001436378485 1342060449 /nfs/dbraw/zinc/06/04/49/1342060449.db2.gz MIMIJJYZOCXPIV-BRWVUGGUSA-N 2 0 348.491 2.150 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001436388286 1342065892 /nfs/dbraw/zinc/06/58/92/1342065892.db2.gz CDYOISKNXBDDFE-NNUKFRKNSA-N 2 0 341.858 2.415 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001670312087 1356316446 /nfs/dbraw/zinc/31/64/46/1356316446.db2.gz AZZXBWMQUGZZBJ-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP CCC1([NH2+]CCC(F)(F)F)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502515842 1342201736 /nfs/dbraw/zinc/20/17/36/1342201736.db2.gz OZUSHCHBGRYNDQ-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP COCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001506576711 1342256608 /nfs/dbraw/zinc/25/66/08/1342256608.db2.gz VAXYNYVFJAQDOF-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001566602546 1342576218 /nfs/dbraw/zinc/57/62/18/1342576218.db2.gz FFDJDUTVUYJTFG-GOSISDBHSA-N 2 0 344.503 2.121 10 0 EEAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCOC3CCC3)C2)ccc2c[nH+]cn21 ZINC001566768470 1342627280 /nfs/dbraw/zinc/62/72/80/1342627280.db2.gz UEAMRRSNBABADA-HNNXBMFYSA-N 2 0 342.443 2.016 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC001567611754 1342793853 /nfs/dbraw/zinc/79/38/53/1342793853.db2.gz TWSSVYNENGANNC-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001570022195 1343001731 /nfs/dbraw/zinc/00/17/31/1343001731.db2.gz PJMRFBJAGVHYBI-MRXNPFEDSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1onc(C)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001647448110 1353280117 /nfs/dbraw/zinc/28/01/17/1353280117.db2.gz HFSHVOBAJGEZDB-UHFFFAOYSA-N 2 0 334.508 2.395 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@@H]2C1 ZINC001649360311 1353496998 /nfs/dbraw/zinc/49/69/98/1353496998.db2.gz NXJCFUTZRNEQNB-UAGQMJEPSA-N 2 0 326.444 2.361 10 0 EEAERP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCO1 ZINC001649457780 1353515682 /nfs/dbraw/zinc/51/56/82/1353515682.db2.gz MMLHSYQTEJZWRE-OSFIAYCASA-N 2 0 337.508 2.034 10 0 EEAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001649462091 1353518387 /nfs/dbraw/zinc/51/83/87/1353518387.db2.gz GBHSWCBDGSRAFX-MJGOQNOKSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001649839043 1353621857 /nfs/dbraw/zinc/62/18/57/1353621857.db2.gz WLAVMTFDNZPNBY-IAGOWNOFSA-N 2 0 348.466 2.260 10 0 EEAERP Cc1ccnc(N)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001650003321 1353684069 /nfs/dbraw/zinc/68/40/69/1353684069.db2.gz PGMOEJSQBKKFEQ-SFHVURJKSA-N 2 0 340.471 2.219 10 0 EEAERP CC[N@@H+]1CCCN(c2nnc([C@H]3CCC[NH+](C)C3)n2CC2CC2)CC1 ZINC001650522426 1353969553 /nfs/dbraw/zinc/96/95/53/1353969553.db2.gz JLGYXHXSWHDRTR-KRWDZBQOSA-N 2 0 346.523 2.029 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001656241199 1354218285 /nfs/dbraw/zinc/21/82/85/1354218285.db2.gz PTMGYFNJJIMJBU-CTYIDZIISA-N 2 0 338.883 2.060 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001660303782 1354435045 /nfs/dbraw/zinc/43/50/45/1354435045.db2.gz FRHYADXOZFMTBN-UHFFFAOYSA-N 2 0 338.496 2.207 10 0 EEAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001660466038 1354469215 /nfs/dbraw/zinc/46/92/15/1354469215.db2.gz PMQHLZZEIKGNIR-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1sc(C)nc1C ZINC001660502832 1354476406 /nfs/dbraw/zinc/47/64/06/1354476406.db2.gz ZDCLATRTVROLHW-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCc1ccccc1 ZINC001660528790 1354481905 /nfs/dbraw/zinc/48/19/05/1354481905.db2.gz FMAUUBUTTSXJGP-FQEVSTJZSA-N 2 0 343.515 2.399 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCCCC(F)(F)F)C2)C1 ZINC001661034186 1354577068 /nfs/dbraw/zinc/57/70/68/1354577068.db2.gz BAUDDAWOMFUDCO-UONOGXRCSA-N 2 0 335.414 2.251 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCOCC)CC1 ZINC001661097133 1354590612 /nfs/dbraw/zinc/59/06/12/1354590612.db2.gz JPFJRDLSFMBXDZ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554808 1354656795 /nfs/dbraw/zinc/65/67/95/1354656795.db2.gz GKLQRHFWNAYJFA-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001661976439 1354731404 /nfs/dbraw/zinc/73/14/04/1354731404.db2.gz CLOOSSGXSCTUJI-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001661977051 1354732127 /nfs/dbraw/zinc/73/21/27/1354732127.db2.gz JNRGCYPAIQBYIZ-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001662778590 1354844508 /nfs/dbraw/zinc/84/45/08/1354844508.db2.gz HUPISJIRJIXTEC-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001664043989 1355079683 /nfs/dbraw/zinc/07/96/83/1355079683.db2.gz JSSMRDKNYFHAFB-UHFFFAOYSA-N 2 0 337.414 2.141 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001665072085 1355271690 /nfs/dbraw/zinc/27/16/90/1355271690.db2.gz YWFXODKIFYNZIN-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCc2ccccc2F)CC[N@@H+]1C ZINC001666553606 1355543811 /nfs/dbraw/zinc/54/38/11/1355543811.db2.gz VRTLXXZHPKEXRY-VDZJLULYSA-N 2 0 349.494 2.440 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C[NH2+]CCCF ZINC001666605746 1355552472 /nfs/dbraw/zinc/55/24/72/1355552472.db2.gz NKYPMVBSVCJICI-NVXWUHKLSA-N 2 0 327.488 2.485 10 0 EEAERP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001667019446 1355634081 /nfs/dbraw/zinc/63/40/81/1355634081.db2.gz YSFBZSZRXUZONC-MRXNPFEDSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001668163247 1355889381 /nfs/dbraw/zinc/88/93/81/1355889381.db2.gz NTBCYXHJFZYAHT-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001668184656 1355893631 /nfs/dbraw/zinc/89/36/31/1355893631.db2.gz FWSBIEKNSXACEX-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668430765 1355939442 /nfs/dbraw/zinc/93/94/42/1355939442.db2.gz FJONBQCUBBUCCH-SFHVURJKSA-N 2 0 347.478 2.414 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cncc(C)c1 ZINC001668852931 1356022887 /nfs/dbraw/zinc/02/28/87/1356022887.db2.gz AYEGTBTZPLZBIQ-PYTPGESOSA-N 2 0 330.476 2.026 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccnc2C)C1 ZINC001668995025 1356062325 /nfs/dbraw/zinc/06/23/25/1356062325.db2.gz GIHAUBXPCNGEKV-PXPVJAHISA-N 2 0 344.503 2.274 10 0 EEAERP CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001670204922 1356296370 /nfs/dbraw/zinc/29/63/70/1356296370.db2.gz OEBSNIZCRAQGKK-GOSISDBHSA-N 2 0 332.492 2.237 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001670270868 1356308274 /nfs/dbraw/zinc/30/82/74/1356308274.db2.gz ATUAMLRLCIYWCA-OAHLLOKOSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C\Cl)C1CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001671530383 1356357211 /nfs/dbraw/zinc/35/72/11/1356357211.db2.gz LUNRTQBUNUOCLE-URVMGWPKSA-N 2 0 339.911 2.345 10 0 EEAERP C[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)CC1 ZINC001671779073 1356413024 /nfs/dbraw/zinc/41/30/24/1356413024.db2.gz BZGYHKHIYPSSGB-GOSISDBHSA-N 2 0 327.488 2.296 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCc3cccs3)C2)C1 ZINC001671800197 1356417081 /nfs/dbraw/zinc/41/70/81/1356417081.db2.gz GWTMHFTUZNIEPA-LPHOPBHVSA-N 2 0 349.544 2.461 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCCF)C2)CC1 ZINC001672233499 1356485588 /nfs/dbraw/zinc/48/55/88/1356485588.db2.gz BWLPFIDHEMQPRU-RDJZCZTQSA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCOC(C)C)[NH+](C)C ZINC001672529291 1356545387 /nfs/dbraw/zinc/54/53/87/1356545387.db2.gz CFSLSZLKDJKONW-KSZLIROESA-N 2 0 339.524 2.207 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC001672816880 1356591601 /nfs/dbraw/zinc/59/16/01/1356591601.db2.gz YLRPVKDLVHVIHK-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001674499449 1356848281 /nfs/dbraw/zinc/84/82/81/1356848281.db2.gz IRIFJQWFSVRDGK-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP COCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001698807980 1405081335 /nfs/dbraw/zinc/08/13/35/1405081335.db2.gz ZOAXRWKMQOZJLP-UHFFFAOYSA-N 2 0 333.476 2.027 10 0 EEAERP COc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001698861019 1405117168 /nfs/dbraw/zinc/11/71/68/1405117168.db2.gz RMQAYLHXHHXNDI-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106842 1405261734 /nfs/dbraw/zinc/26/17/34/1405261734.db2.gz PCJDWDAXFPQDIU-VQIMIIECSA-N 2 0 344.503 2.473 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC001699257460 1405297948 /nfs/dbraw/zinc/29/79/48/1405297948.db2.gz BTFQVXZULJCHRC-CHYADLBTSA-N 2 0 337.508 2.082 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001699261532 1405304707 /nfs/dbraw/zinc/30/47/07/1405304707.db2.gz PMQLACOMSWKPLQ-TZGBVXRMSA-N 2 0 343.462 2.414 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001699839592 1405519517 /nfs/dbraw/zinc/51/95/17/1405519517.db2.gz VFZVEVZIASLRRX-NFAWXSAZSA-N 2 0 335.414 2.107 10 0 EEAERP C[C@H]([NH2+]CCCc1ccsc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001699944835 1405593812 /nfs/dbraw/zinc/59/38/12/1405593812.db2.gz PSBGCFGZMLGCRY-DOTOQJQBSA-N 2 0 337.533 2.459 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000930113397 770540117 /nfs/dbraw/zinc/54/01/17/770540117.db2.gz LOBCXQWRAATZEF-HUUCEWRRSA-N 2 0 337.430 2.054 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)CO2)CC[NH2+]CC1 ZINC000925773246 774596797 /nfs/dbraw/zinc/59/67/97/774596797.db2.gz AZFPBXCKBLMONB-HZPDHXFCSA-N 2 0 338.492 2.247 10 0 EEAERP C[NH+](C)C[C@@H]1CN(Cc2ccc(Br)o2)C[C@H]1C[NH+](C)C ZINC000706044089 784921246 /nfs/dbraw/zinc/92/12/46/784921246.db2.gz KKFFRXMNFDFACB-CHWSQXEVSA-N 2 0 344.297 2.213 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000923412154 789519790 /nfs/dbraw/zinc/51/97/90/789519790.db2.gz UVPSMSWQPJVFTQ-WZRBSPASSA-N 2 0 333.259 2.260 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cccc3c1OC(F)(F)O3)CC2 ZINC000923444890 789554370 /nfs/dbraw/zinc/55/43/70/789554370.db2.gz INIXAHUQFMIBGB-ZDUSSCGKSA-N 2 0 340.370 2.338 10 0 EEAERP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455419 789571695 /nfs/dbraw/zinc/57/16/95/789571695.db2.gz UCQUSRVQQLUWAV-SJORKVTESA-N 2 0 339.524 2.291 10 0 EEAERP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450349 789580662 /nfs/dbraw/zinc/58/06/62/789580662.db2.gz GRWZALQZVUUGNY-NVXWUHKLSA-N 2 0 345.487 2.406 10 0 EEAERP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923452713 789586198 /nfs/dbraw/zinc/58/61/98/789586198.db2.gz WCRMYQVQVWERKA-WMZOPIPTSA-N 2 0 345.487 2.460 10 0 EEAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923490526 789659836 /nfs/dbraw/zinc/65/98/36/789659836.db2.gz DHSRPJLQHNVPNH-HZSPNIEDSA-N 2 0 346.393 2.362 10 0 EEAERP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923517180 789704930 /nfs/dbraw/zinc/70/49/30/789704930.db2.gz BALUYSPGBSRFBI-DAYGRLMNSA-N 2 0 331.435 2.171 10 0 EEAERP CC(C)[NH+](CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000913859241 794402319 /nfs/dbraw/zinc/40/23/19/794402319.db2.gz NPHDFUAHTNDWEB-SFHVURJKSA-N 2 0 349.523 2.492 10 0 EEAERP O=C(NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716672699 796405848 /nfs/dbraw/zinc/40/58/48/796405848.db2.gz KRVTVNMHCOXVMJ-UHOSZYNNSA-N 2 0 327.472 2.155 10 0 EEAERP CO[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716690383 796443433 /nfs/dbraw/zinc/44/34/33/796443433.db2.gz FVXRYNJMLQPLDH-ZGXWSNOMSA-N 2 0 330.472 2.435 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1 ZINC000922597682 801474081 /nfs/dbraw/zinc/47/40/81/801474081.db2.gz VOGLPGVRGMFODU-UHFFFAOYSA-N 2 0 348.487 2.038 10 0 EEAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOCC(C)C)C1)[NH+](C)C ZINC001566075233 1125547784 /nfs/dbraw/zinc/54/77/84/1125547784.db2.gz JDTLFNUKUMKOAM-QZTJIDSGSA-N 2 0 341.540 2.360 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001566076238 1125548861 /nfs/dbraw/zinc/54/88/61/1125548861.db2.gz UKOGMQXKPNPZEF-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cncs1 ZINC001566498561 1125666847 /nfs/dbraw/zinc/66/68/47/1125666847.db2.gz KGTSHIREKGKOQU-GOEBONIOSA-N 2 0 336.505 2.098 10 0 EEAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1CCOCC1 ZINC001566576481 1125757277 /nfs/dbraw/zinc/75/72/77/1125757277.db2.gz PLRKJMZSAVSDLY-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1Cc1c(C)noc1C ZINC001436439121 1087829275 /nfs/dbraw/zinc/82/92/75/1087829275.db2.gz LKHGYCDMELYNBM-DLBZAZTESA-N 2 0 348.491 2.245 10 0 EEAERP Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001436790909 1088352197 /nfs/dbraw/zinc/35/21/97/1088352197.db2.gz RMNFDEJYSJRYNC-PMACEKPBSA-N 2 0 341.499 2.321 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001436893317 1088544271 /nfs/dbraw/zinc/54/42/71/1088544271.db2.gz FUAQNWXHFIYVQW-VOFBMMIESA-N 2 0 339.483 2.278 10 0 EEAERP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(F)c1 ZINC001436930562 1088599688 /nfs/dbraw/zinc/59/96/88/1088599688.db2.gz GGYVVKGSMMHASP-AYHJJNSGSA-N 2 0 348.466 2.174 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001437127248 1089112093 /nfs/dbraw/zinc/11/20/93/1089112093.db2.gz FEDYIAMFJBOKBX-PBHICJAKSA-N 2 0 333.451 2.070 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1Cl ZINC001437127145 1089112112 /nfs/dbraw/zinc/11/21/12/1089112112.db2.gz DCULWEIZPDXKGR-YWPYICTPSA-N 2 0 341.858 2.414 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2cnc(C)s2)C1 ZINC001437353973 1089574187 /nfs/dbraw/zinc/57/41/87/1089574187.db2.gz YHBOCZIYVMCBBO-OAHLLOKOSA-N 2 0 338.521 2.216 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C)c(C)c1 ZINC001437637550 1090153522 /nfs/dbraw/zinc/15/35/22/1090153522.db2.gz IACJLXKQDPVZKB-UHFFFAOYSA-N 2 0 329.488 2.337 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001437671357 1090198590 /nfs/dbraw/zinc/19/85/90/1090198590.db2.gz JUFCWBRZCIVSGV-LSDHHAIUSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437919100 1090505573 /nfs/dbraw/zinc/50/55/73/1090505573.db2.gz PTILYBCAVAMJSX-WMZOPIPTSA-N 2 0 348.491 2.184 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001437919278 1090506037 /nfs/dbraw/zinc/50/60/37/1090506037.db2.gz BTHWBKJWEIBSPY-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001437984644 1090578124 /nfs/dbraw/zinc/57/81/24/1090578124.db2.gz BOULHLUMZQSBCT-QFBILLFUSA-N 2 0 329.488 2.406 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ncc(C)s1 ZINC001438308174 1090785908 /nfs/dbraw/zinc/78/59/08/1090785908.db2.gz WQJAERLFIDDBSH-GJZGRUSLSA-N 2 0 338.521 2.309 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cccnc1C ZINC001438308395 1090787134 /nfs/dbraw/zinc/78/71/34/1090787134.db2.gz XMQCEUSZYWMFEY-MSOLQXFVSA-N 2 0 332.492 2.247 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ncc(C)s1 ZINC001438349328 1090826262 /nfs/dbraw/zinc/82/62/62/1090826262.db2.gz TWWYZRPXYYTCIX-AEGPPILISA-N 2 0 338.521 2.166 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438366899 1090842728 /nfs/dbraw/zinc/84/27/28/1090842728.db2.gz LRRSEPMGEXUYIW-OALUTQOASA-N 2 0 331.504 2.228 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001438484829 1090986874 /nfs/dbraw/zinc/98/68/74/1090986874.db2.gz CBYXUWBNXQQIKY-OXQOHEQNSA-N 2 0 343.515 2.487 10 0 EEAERP Cc1nc(CNC2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCCC2)co1 ZINC001438597579 1091086550 /nfs/dbraw/zinc/08/65/50/1091086550.db2.gz QAMKOJGLVGWISX-QGZVFWFLSA-N 2 0 348.491 2.376 10 0 EEAERP C[C@@H](C[NH2+]Cc1sccc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438634492 1091116987 /nfs/dbraw/zinc/11/69/87/1091116987.db2.gz KFBYPUDZZXGEGS-AAEUAGOBSA-N 2 0 329.897 2.432 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1F ZINC001445385383 1091128681 /nfs/dbraw/zinc/12/86/81/1091128681.db2.gz HPFPSFAQZPBWMD-BPLDGKMQSA-N 2 0 330.407 2.255 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001438647239 1091131168 /nfs/dbraw/zinc/13/11/68/1091131168.db2.gz DMABPLIYGSCQIW-KBXCAEBGSA-N 2 0 348.491 2.327 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001438693824 1091196694 /nfs/dbraw/zinc/19/66/94/1091196694.db2.gz NPEFIXWVHHWLMI-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[N@H+](CCC1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccn1 ZINC001438771946 1091355793 /nfs/dbraw/zinc/35/57/93/1091355793.db2.gz CVAOBAYJWWYIGG-UHFFFAOYSA-N 2 0 344.503 2.238 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001445656852 1091445551 /nfs/dbraw/zinc/44/55/51/1091445551.db2.gz OPTOCYHCWWKISH-HOCLYGCPSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)sc1C ZINC001438845309 1091482017 /nfs/dbraw/zinc/48/20/17/1091482017.db2.gz WZELFWFNNWFSBJ-HNNXBMFYSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445759870 1091605680 /nfs/dbraw/zinc/60/56/80/1091605680.db2.gz BFNXHPIIRWWFTP-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001438943785 1091630287 /nfs/dbraw/zinc/63/02/87/1091630287.db2.gz BIMZUGSTKNPNKO-SJLPKXTDSA-N 2 0 333.451 2.200 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC001439114763 1091760205 /nfs/dbraw/zinc/76/02/05/1091760205.db2.gz NSXZQUSQPLHTKY-CRAIPNDOSA-N 2 0 333.476 2.164 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001439228292 1091872339 /nfs/dbraw/zinc/87/23/39/1091872339.db2.gz POJLSXIFHMHUCD-HOTGVXAUSA-N 2 0 345.487 2.479 10 0 EEAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001439234273 1091880395 /nfs/dbraw/zinc/88/03/95/1091880395.db2.gz DPOQZKWJRVTIBA-LPHOPBHVSA-N 2 0 329.488 2.240 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001445951631 1091895457 /nfs/dbraw/zinc/89/54/57/1091895457.db2.gz JZTGTZWUEGQCCJ-ZWKOTPCHSA-N 2 0 333.451 2.294 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001439259707 1091909886 /nfs/dbraw/zinc/90/98/86/1091909886.db2.gz ZZIGSIPBEXDKFU-DOTOQJQBSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ocnc1C ZINC001446023828 1092013806 /nfs/dbraw/zinc/01/38/06/1092013806.db2.gz ZQTZNXBQHDNJKK-CVEARBPZSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001439477086 1092275297 /nfs/dbraw/zinc/27/52/97/1092275297.db2.gz XWHURBTYCGOIKV-XJKSGUPXSA-N 2 0 344.459 2.325 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(OC)cc1 ZINC001439515946 1092362021 /nfs/dbraw/zinc/36/20/21/1092362021.db2.gz QMUQJWSFZFXFOB-MJGOQNOKSA-N 2 0 347.503 2.364 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001439536421 1092396487 /nfs/dbraw/zinc/39/64/87/1092396487.db2.gz IODPGJBMWBIMRN-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCc3ccc(Cl)cc3)CC2)C1 ZINC001446269509 1092417813 /nfs/dbraw/zinc/41/78/13/1092417813.db2.gz YEOGCJVIIPXDBO-MRXNPFEDSA-N 2 0 349.906 2.463 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)ns1 ZINC001439791512 1092750320 /nfs/dbraw/zinc/75/03/20/1092750320.db2.gz WJQGKVKVRLYEIS-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001440135223 1093201540 /nfs/dbraw/zinc/20/15/40/1093201540.db2.gz KLKMJKKQZCYVJF-RDJZCZTQSA-N 2 0 335.467 2.352 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC001440184545 1093243806 /nfs/dbraw/zinc/24/38/06/1093243806.db2.gz DRYLSWVNRCQAGT-VQTJNVASSA-N 2 0 343.515 2.494 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001440272567 1093387199 /nfs/dbraw/zinc/38/71/99/1093387199.db2.gz ABSCXXNXUMZPNI-VQGTYHCMSA-N 2 0 346.302 2.132 10 0 EEAERP Cc1oncc1C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001440340244 1093485212 /nfs/dbraw/zinc/48/52/12/1093485212.db2.gz IOSMISWAWNWRMG-IAGOWNOFSA-N 2 0 346.475 2.128 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC001448473505 1093488891 /nfs/dbraw/zinc/48/88/91/1093488891.db2.gz QJVGBYHXANVBQT-BRWVUGGUSA-N 2 0 325.472 2.049 10 0 EEAERP CCc1ccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)cc1 ZINC001440357412 1093515857 /nfs/dbraw/zinc/51/58/57/1093515857.db2.gz ZFVWLXCLZNUWPO-UHFFFAOYSA-N 2 0 329.488 2.473 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001448511653 1093536463 /nfs/dbraw/zinc/53/64/63/1093536463.db2.gz RUMOOMXGORMRCZ-RZDIXWSQSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001448716356 1093788196 /nfs/dbraw/zinc/78/81/96/1093788196.db2.gz JSVULMDJUAWDKT-STQMWFEESA-N 2 0 327.419 2.414 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC1CC1 ZINC001448719747 1093791543 /nfs/dbraw/zinc/79/15/43/1093791543.db2.gz GWIJNSMVVNGHKC-IPELMVKDSA-N 2 0 329.488 2.178 10 0 EEAERP CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001440541602 1093811152 /nfs/dbraw/zinc/81/11/52/1093811152.db2.gz ZTRGZAMCDLAFCG-IRXDYDNUSA-N 2 0 349.519 2.011 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001440653488 1093924965 /nfs/dbraw/zinc/92/49/65/1093924965.db2.gz PMGFVPFBWPKTPD-GDBMZVCRSA-N 2 0 336.480 2.046 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)nsc2C)C[C@@H]1C ZINC001448998556 1093996905 /nfs/dbraw/zinc/99/69/05/1093996905.db2.gz BDMOZRYBAKUTHJ-SWLSCSKDSA-N 2 0 338.521 2.181 10 0 EEAERP CCc1onc(C)c1C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001449009486 1094009761 /nfs/dbraw/zinc/00/97/61/1094009761.db2.gz JKVFBSWHQJKJQK-PKOBYXMFSA-N 2 0 348.491 2.110 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001449051278 1094066042 /nfs/dbraw/zinc/06/60/42/1094066042.db2.gz BDPMQXWTPAOSBK-HZPDHXFCSA-N 2 0 336.480 2.006 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001440841228 1094096623 /nfs/dbraw/zinc/09/66/23/1094096623.db2.gz VDDLZNCIIVIIRN-IRXDYDNUSA-N 2 0 347.503 2.410 10 0 EEAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2nccs2)CC1)[NH+](C)C ZINC001440861110 1094123639 /nfs/dbraw/zinc/12/36/39/1094123639.db2.gz REIFJQKIGSXXFW-YMAMQOFZSA-N 2 0 338.521 2.343 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)n1 ZINC001449332951 1094284864 /nfs/dbraw/zinc/28/48/64/1094284864.db2.gz YQXYDRBLDVWEIZ-KGLIPLIRSA-N 2 0 338.521 2.024 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CCCC2)C1 ZINC001449373166 1094343189 /nfs/dbraw/zinc/34/31/89/1094343189.db2.gz WBBAXYJHVAJRNT-CABCVRRESA-N 2 0 349.441 2.497 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001449409235 1094391346 /nfs/dbraw/zinc/39/13/46/1094391346.db2.gz IWSDMEQOPSCPMS-RDJZCZTQSA-N 2 0 339.499 2.437 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C2CC2)CC[N@@H+]1C ZINC001441197707 1094558766 /nfs/dbraw/zinc/55/87/66/1094558766.db2.gz QKEIOVLGDDOYDJ-RTXFEEFZSA-N 2 0 334.291 2.130 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC001441208713 1094571063 /nfs/dbraw/zinc/57/10/63/1094571063.db2.gz VFZSOUAISZWCFW-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001441328866 1094788234 /nfs/dbraw/zinc/78/82/34/1094788234.db2.gz JPZWZNCQZZKZGS-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001441365636 1094888677 /nfs/dbraw/zinc/88/86/77/1094888677.db2.gz DMSRPWNNICQPAC-OBJOEFQTSA-N 2 0 340.418 2.118 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCC[C@@H]2CCOC2)CC1 ZINC001441385053 1094933071 /nfs/dbraw/zinc/93/30/71/1094933071.db2.gz AAGWCKGVGYRYJZ-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[NH+]1CCCC1 ZINC001441439735 1095058995 /nfs/dbraw/zinc/05/89/95/1095058995.db2.gz MEAWIIGIENZCMP-BZSNNMDCSA-N 2 0 348.466 2.078 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](CCOC)C1)c1ccccc1 ZINC001441587725 1095408595 /nfs/dbraw/zinc/40/85/95/1095408595.db2.gz QTSJJCGTQXMZTI-HKUYNNGSSA-N 2 0 347.503 2.154 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2nc(C)oc2C)CC1 ZINC001441750576 1095742952 /nfs/dbraw/zinc/74/29/52/1095742952.db2.gz CWMMJXKHZIICOO-UHFFFAOYSA-N 2 0 336.480 2.150 10 0 EEAERP CO[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001441853225 1095942793 /nfs/dbraw/zinc/94/27/93/1095942793.db2.gz CEVCCZMTBHXESI-ZIFCJYIRSA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1oc(C)nc1C)CC2 ZINC001441868222 1095979416 /nfs/dbraw/zinc/97/94/16/1095979416.db2.gz OQDJARPQLVUDSZ-HKUYNNGSSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)oc1C ZINC001441896893 1096045877 /nfs/dbraw/zinc/04/58/77/1096045877.db2.gz JCYFOEWVQWXKBG-HZPDHXFCSA-N 2 0 336.480 2.006 10 0 EEAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001442109475 1096336566 /nfs/dbraw/zinc/33/65/66/1096336566.db2.gz DEBMUPXEEUPRPX-OAHLLOKOSA-N 2 0 346.475 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001442204883 1096489486 /nfs/dbraw/zinc/48/94/86/1096489486.db2.gz NKJMUOXPTPSTIY-GJZGRUSLSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001442263362 1096566814 /nfs/dbraw/zinc/56/68/14/1096566814.db2.gz YYPLBXLUCUSHEN-VNQPRFMTSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(-c2ccco2)on1 ZINC001442340849 1096663525 /nfs/dbraw/zinc/66/35/25/1096663525.db2.gz QJBIYANWPOARFX-CQSZACIVSA-N 2 0 346.431 2.015 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001442343983 1096667134 /nfs/dbraw/zinc/66/71/34/1096667134.db2.gz DALMKRBPSKPPAK-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP C[N@@H+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001442401335 1096722050 /nfs/dbraw/zinc/72/20/50/1096722050.db2.gz LVDSIYZSMJQGBJ-MEQKGCOVSA-N 2 0 327.472 2.090 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(F)c2)C1 ZINC001442826835 1097217028 /nfs/dbraw/zinc/21/70/28/1097217028.db2.gz XOLWPGTZZNKNOM-QAPCUYQASA-N 2 0 333.451 2.248 10 0 EEAERP Cc1cccnc1C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001442893875 1097293417 /nfs/dbraw/zinc/29/34/17/1097293417.db2.gz YOSQCPCDFNRMMI-KRWDZBQOSA-N 2 0 344.503 2.203 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001442895020 1097294919 /nfs/dbraw/zinc/29/49/19/1097294919.db2.gz SMFOTBOVGRNDPX-HNNXBMFYSA-N 2 0 337.895 2.272 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1scnc1C ZINC001442951695 1097368191 /nfs/dbraw/zinc/36/81/91/1097368191.db2.gz OHHFSPPHONUOSI-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1 ZINC001443133126 1097558773 /nfs/dbraw/zinc/55/87/73/1097558773.db2.gz REPWRMMRHNLVHG-ZWKOTPCHSA-N 2 0 347.503 2.200 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001443333494 1097842977 /nfs/dbraw/zinc/84/29/77/1097842977.db2.gz KOLKPFDHQOTGEF-BFYDXBDKSA-N 2 0 327.488 2.245 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(C[N@H+](C)CCF)CC2)C1 ZINC001443370677 1097891396 /nfs/dbraw/zinc/89/13/96/1097891396.db2.gz LMDKIMKSWAOXHC-IRXDYDNUSA-N 2 0 327.488 2.247 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001443381261 1097898943 /nfs/dbraw/zinc/89/89/43/1097898943.db2.gz VPGPRPDJUZJEBH-TWZSPHTKSA-N 2 0 327.900 2.440 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1Cc1oc(C)nc1C ZINC001479636978 1098665006 /nfs/dbraw/zinc/66/50/06/1098665006.db2.gz IQLIUSYLRZBIHX-JKSUJKDBSA-N 2 0 348.491 2.245 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001444193554 1098745006 /nfs/dbraw/zinc/74/50/06/1098745006.db2.gz UCXOICYQNJFGJQ-WKILWMFISA-N 2 0 336.480 2.149 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001444382607 1098967174 /nfs/dbraw/zinc/96/71/74/1098967174.db2.gz CPSGGWGSUQQCGJ-RDTXWAMCSA-N 2 0 345.462 2.251 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCc1ccc(Cl)cc1 ZINC001479788660 1098991995 /nfs/dbraw/zinc/99/19/95/1098991995.db2.gz AHTIHYDQNUFSTR-QGZVFWFLSA-N 2 0 337.895 2.415 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@@H]1CCc2ccccc21 ZINC001479812638 1099075976 /nfs/dbraw/zinc/07/59/76/1099075976.db2.gz PLZJSLNUCCXWSI-OALUTQOASA-N 2 0 343.515 2.496 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001444453794 1099102610 /nfs/dbraw/zinc/10/26/10/1099102610.db2.gz XILOMNCWOIPGTP-CQSZACIVSA-N 2 0 338.521 2.169 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1cnn(C)c1 ZINC001479856022 1099159411 /nfs/dbraw/zinc/15/94/11/1099159411.db2.gz KHZXASUFJLWYQJ-GOSISDBHSA-N 2 0 349.523 2.011 10 0 EEAERP Cc1nc(C)c(C[N@@H+](CCCNC(=O)C2CC[NH+](C)CC2)C2CC2)o1 ZINC001479874846 1099232361 /nfs/dbraw/zinc/23/23/61/1099232361.db2.gz FLIRMEUXOVRQJL-UHFFFAOYSA-N 2 0 348.491 2.104 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]Cc2ccccn2)CCCC1 ZINC001444539919 1099317461 /nfs/dbraw/zinc/31/74/61/1099317461.db2.gz XRXDFTAUPAMPJA-CALCHBBNSA-N 2 0 344.503 2.473 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCCOc3ccccc3)C2)CCC1 ZINC001479955250 1099392051 /nfs/dbraw/zinc/39/20/51/1099392051.db2.gz PGKWIPBBEVFSFS-KRWDZBQOSA-N 2 0 345.487 2.130 10 0 EEAERP CCc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001444630107 1099457389 /nfs/dbraw/zinc/45/73/89/1099457389.db2.gz BAUOMYLAYRUNFW-OAHLLOKOSA-N 2 0 348.491 2.050 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001480021262 1099500498 /nfs/dbraw/zinc/50/04/98/1099500498.db2.gz YGKXBHYEMGLHNT-MSOLQXFVSA-N 2 0 348.466 2.078 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444721059 1099590762 /nfs/dbraw/zinc/59/07/62/1099590762.db2.gz ZBEAILPSBRKVRC-KBPBESRZSA-N 2 0 339.430 2.243 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001444784029 1099691233 /nfs/dbraw/zinc/69/12/33/1099691233.db2.gz LDKDSRBURILOJP-CABCVRRESA-N 2 0 344.459 2.106 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C1)[NH+](C)C ZINC001480145038 1099713623 /nfs/dbraw/zinc/71/36/23/1099713623.db2.gz RCTVGIWEERVUAS-XHBSWPGZSA-N 2 0 325.403 2.042 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001480158692 1099730990 /nfs/dbraw/zinc/73/09/90/1099730990.db2.gz XRCCWWZKOLJAJO-ZTFGCOKTSA-N 2 0 335.467 2.389 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001480167408 1099743069 /nfs/dbraw/zinc/74/30/69/1099743069.db2.gz OLCWTBDUCYNJFD-LNLFQRSKSA-N 2 0 347.503 2.197 10 0 EEAERP CCc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001480174454 1099754474 /nfs/dbraw/zinc/75/44/74/1099754474.db2.gz XDNMEJSJGZIBTH-WGSAOQKQSA-N 2 0 331.504 2.369 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001480295267 1100008910 /nfs/dbraw/zinc/00/89/10/1100008910.db2.gz YVAKBBVJGNBOOT-AWEZNQCLSA-N 2 0 338.883 2.015 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]C/C(Cl)=C/Cl)C12CC[NH+](CC1)C2 ZINC001445100267 1100330199 /nfs/dbraw/zinc/33/01/99/1100330199.db2.gz AOFPCDVYPQYTOX-LRZCHELBSA-N 2 0 346.302 2.276 10 0 EEAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cncs1)C1CCC1 ZINC001445104195 1100336554 /nfs/dbraw/zinc/33/65/54/1100336554.db2.gz CRUVTVLWTKJZGC-CZUORRHYSA-N 2 0 336.505 2.002 10 0 EEAERP CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)C12CC[NH+](CC1)C2 ZINC001445319688 1100554568 /nfs/dbraw/zinc/55/45/68/1100554568.db2.gz AMCHFDZJKBOURI-GOSISDBHSA-N 2 0 345.462 2.347 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229282 1100787620 /nfs/dbraw/zinc/78/76/20/1100787620.db2.gz HEQMIHLYCQGCSI-YJBOKZPZSA-N 2 0 346.519 2.402 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001446452122 1100873099 /nfs/dbraw/zinc/87/30/99/1100873099.db2.gz MCLJATJZEOIFJR-SUHDFKPZSA-N 2 0 334.291 2.228 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001495203277 1100885134 /nfs/dbraw/zinc/88/51/34/1100885134.db2.gz VPOGQMHVGFXORW-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP CC1CC(C[NH2+]C[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CCCC2)C1 ZINC001446494093 1100936712 /nfs/dbraw/zinc/93/67/12/1100936712.db2.gz CCKGTKQTPQMVIK-HTWSVDAQSA-N 2 0 333.520 2.393 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cccnc1)C1CCCC1)[NH+](C)C ZINC001446495156 1100938229 /nfs/dbraw/zinc/93/82/29/1100938229.db2.gz FRAGYNLHOURQCU-QZTJIDSGSA-N 2 0 332.492 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@H]1CCCOC1)C1CCCC1 ZINC001446509785 1100960860 /nfs/dbraw/zinc/96/08/60/1100960860.db2.gz NQANHSVDWWKNHF-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)[NH+](C)C ZINC001495280101 1100978015 /nfs/dbraw/zinc/97/80/15/1100978015.db2.gz LQYQEDRFNIFDIS-DOTOQJQBSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001496414350 1101006180 /nfs/dbraw/zinc/00/61/80/1101006180.db2.gz LOFPQKVGIQSWHD-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001446618528 1101123875 /nfs/dbraw/zinc/12/38/75/1101123875.db2.gz VLHQQVPMHDHQRC-LJQANCHMSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCc1cccs1 ZINC001496561150 1101162444 /nfs/dbraw/zinc/16/24/44/1101162444.db2.gz JMRWHNGZEMKEHN-OIISXLGYSA-N 2 0 337.533 2.361 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC2(C)CC[NH+](CCCF)CC2)CC[N@@H+]1C ZINC001446652338 1101171354 /nfs/dbraw/zinc/17/13/54/1101171354.db2.gz RVYXKEJQNLKROA-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496705525 1101306236 /nfs/dbraw/zinc/30/62/36/1101306236.db2.gz VHBQDRWYVJHJEE-IBGZPJMESA-N 2 0 329.488 2.227 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCc2ccccc2)C1 ZINC001446939313 1101625763 /nfs/dbraw/zinc/62/57/63/1101625763.db2.gz HGHDWHPGDGHZPH-HKUYNNGSSA-N 2 0 331.504 2.396 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001446973263 1101684491 /nfs/dbraw/zinc/68/44/91/1101684491.db2.gz OYHHHKWYENYBEO-GOEBONIOSA-N 2 0 345.478 2.448 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC2(C[NH+](CC[C@H](C)F)C2)CC1 ZINC001495974219 1101871782 /nfs/dbraw/zinc/87/17/82/1101871782.db2.gz PCUILVZCNLGXMG-JKSUJKDBSA-N 2 0 345.478 2.339 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001496077442 1102018719 /nfs/dbraw/zinc/01/87/19/1102018719.db2.gz GWVCCUXKGWWBOL-SJLPKXTDSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001496133401 1102119932 /nfs/dbraw/zinc/11/99/32/1102119932.db2.gz WWQQWDLHCOXNIF-CVEARBPZSA-N 2 0 347.507 2.157 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001447190496 1102169604 /nfs/dbraw/zinc/16/96/04/1102169604.db2.gz WTWDIXIKDIIQDE-BZSNNMDCSA-N 2 0 339.524 2.063 10 0 EEAERP CCc1nc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cs1 ZINC001497264836 1102218448 /nfs/dbraw/zinc/21/84/48/1102218448.db2.gz UMEAMKZEINYPQQ-ZDUSSCGKSA-N 2 0 338.521 2.032 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)s1 ZINC001497278727 1102242773 /nfs/dbraw/zinc/24/27/73/1102242773.db2.gz XXYPNHZWQULAJH-CYBMUJFWSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001497311026 1102295455 /nfs/dbraw/zinc/29/54/55/1102295455.db2.gz GGKSYZJGNCICBB-CJNGLKHVSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)cn1 ZINC001447293577 1102380056 /nfs/dbraw/zinc/38/00/56/1102380056.db2.gz CENWZXVREFPGKF-IRXDYDNUSA-N 2 0 347.507 2.159 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC001447295706 1102386739 /nfs/dbraw/zinc/38/67/39/1102386739.db2.gz IHMMCFJRKZWNAW-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001497416475 1102455431 /nfs/dbraw/zinc/45/54/31/1102455431.db2.gz VZHNUFSWTFJRGL-UHFFFAOYSA-N 2 0 347.478 2.435 10 0 EEAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497453291 1102512359 /nfs/dbraw/zinc/51/23/59/1102512359.db2.gz ADQRTMRLTPNRAR-IQIBNGDESA-N 2 0 333.879 2.390 10 0 EEAERP Cc1nn(C(C)C)cc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001447374393 1102553556 /nfs/dbraw/zinc/55/35/56/1102553556.db2.gz DERUYCCIDWMLPR-QGZVFWFLSA-N 2 0 349.523 2.004 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC001497595433 1102722450 /nfs/dbraw/zinc/72/24/50/1102722450.db2.gz DPALRAQESYTXRD-UGLNBITBSA-N 2 0 327.472 2.446 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cnc(C)s1 ZINC001497762255 1103054013 /nfs/dbraw/zinc/05/40/13/1103054013.db2.gz GGAISJNWSYVUPX-SQRWCISFSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497927511 1103352268 /nfs/dbraw/zinc/35/22/68/1103352268.db2.gz WEMIMFGEBMGLST-AEFFLSMTSA-N 2 0 332.492 2.247 10 0 EEAERP Cc1ncc(C[NH+]2CC[C@H](CCNC(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001494018930 1103358149 /nfs/dbraw/zinc/35/81/49/1103358149.db2.gz CPONTBVVQVODKJ-DLBZAZTESA-N 2 0 348.491 2.186 10 0 EEAERP CCn1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001447837673 1103418642 /nfs/dbraw/zinc/41/86/42/1103418642.db2.gz CKLQZZFBHUYFLI-HOTGVXAUSA-N 2 0 349.523 2.150 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCc1ccns1 ZINC001447881302 1103506927 /nfs/dbraw/zinc/50/69/27/1103506927.db2.gz HDRKQZGHFUZLQH-UONOGXRCSA-N 2 0 338.521 2.043 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)n1 ZINC001447896785 1103543955 /nfs/dbraw/zinc/54/39/55/1103543955.db2.gz ILHSYGOJFCXLSU-LSDHHAIUSA-N 2 0 332.492 2.023 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCc1ccccc1 ZINC001447917334 1103591450 /nfs/dbraw/zinc/59/14/50/1103591450.db2.gz WZYZXYZVRDPVOM-ZWKOTPCHSA-N 2 0 331.504 2.444 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001494157768 1103618672 /nfs/dbraw/zinc/61/86/72/1103618672.db2.gz SHYCALQGCIIJQB-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2ocnc2C)CC1)[NH+](C)C ZINC001447940503 1103649361 /nfs/dbraw/zinc/64/93/61/1103649361.db2.gz DDEBGPBSMYVMSC-GPANFISMSA-N 2 0 336.480 2.182 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001448055227 1103907148 /nfs/dbraw/zinc/90/71/48/1103907148.db2.gz AAERATITUQSGMR-MAUKXSAKSA-N 2 0 333.476 2.116 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001448258835 1104262442 /nfs/dbraw/zinc/26/24/42/1104262442.db2.gz DJPHYOJMPBPEDJ-RTBURBONSA-N 2 0 347.503 2.033 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001494951002 1104594120 /nfs/dbraw/zinc/59/41/20/1104594120.db2.gz WDZGAAVTXRJTPM-HOTGVXAUSA-N 2 0 325.403 2.043 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001494981002 1104622504 /nfs/dbraw/zinc/62/25/04/1104622504.db2.gz JRNLLHPJKFLQAO-SZVBFZGTSA-N 2 0 346.519 2.077 10 0 EEAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)c(C)s1 ZINC001495093709 1104732187 /nfs/dbraw/zinc/73/21/87/1104732187.db2.gz HLCMXQJYILQXJS-GJZGRUSLSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@H]([NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1)c1ccccc1 ZINC001498150892 1106988476 /nfs/dbraw/zinc/98/84/76/1106988476.db2.gz MGSWWYXAQBPBHJ-LPHOPBHVSA-N 2 0 347.503 2.343 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)c1C ZINC001480802763 1107144548 /nfs/dbraw/zinc/14/45/48/1107144548.db2.gz BLCFLJYWRLAKJV-OAHLLOKOSA-N 2 0 345.487 2.084 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(Cl)cc1F ZINC001480808501 1107155227 /nfs/dbraw/zinc/15/52/27/1107155227.db2.gz KTWWPIVVLZUQFP-OCCSQVGLSA-N 2 0 341.858 2.415 10 0 EEAERP Cc1ccccc1OCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498287000 1107217294 /nfs/dbraw/zinc/21/72/94/1107217294.db2.gz CWFUCOWTNQUIJR-RCCFBDPRSA-N 2 0 347.503 2.151 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001498483911 1107614362 /nfs/dbraw/zinc/61/43/62/1107614362.db2.gz GZZYQYLXPWGASJ-MAUKXSAKSA-N 2 0 344.459 2.167 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001498496205 1107635063 /nfs/dbraw/zinc/63/50/63/1107635063.db2.gz JEFNOIKFPJWDHS-QZTJIDSGSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1nccs1 ZINC001498502910 1107643905 /nfs/dbraw/zinc/64/39/05/1107643905.db2.gz HXWDJZVYIPGHIA-GJZGRUSLSA-N 2 0 338.521 2.248 10 0 EEAERP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)C[N@H+](C)C1CCC1 ZINC001498559106 1107719484 /nfs/dbraw/zinc/71/94/84/1107719484.db2.gz BVSIGILWHIXRSQ-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCc1ccccc1F ZINC001493326316 1107935344 /nfs/dbraw/zinc/93/53/44/1107935344.db2.gz ZPUQLTZAHXLUIA-UHFFFAOYSA-N 2 0 347.478 2.292 10 0 EEAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cnccc1C ZINC001493325450 1107935617 /nfs/dbraw/zinc/93/56/17/1107935617.db2.gz QBCJNUMWRKOOGR-KRWDZBQOSA-N 2 0 332.492 2.060 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001498776595 1108080323 /nfs/dbraw/zinc/08/03/23/1108080323.db2.gz ZGSFEYSYTSUBEA-RTBURBONSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001493851709 1108737511 /nfs/dbraw/zinc/73/75/11/1108737511.db2.gz XLSLOLBEYAWQDY-QGZVFWFLSA-N 2 0 346.519 2.447 10 0 EEAERP OC[C@H]1[C@@H]2C[N@H+](CCCN3CCN(c4ccc(Cl)cc4)CC3)C[C@H]12 ZINC001460157423 1110256622 /nfs/dbraw/zinc/25/66/22/1110256622.db2.gz LFTYYNVSSCBILL-BWTSREIZSA-N 2 0 349.906 2.022 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1CC1CCC(F)(F)CC1)C(=O)CC[NH+](C)C ZINC001479243028 1110666590 /nfs/dbraw/zinc/66/65/90/1110666590.db2.gz LRWVRTOLZLELBU-OAHLLOKOSA-N 2 0 331.451 2.296 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479341671 1110683633 /nfs/dbraw/zinc/68/36/33/1110683633.db2.gz RWTNVAOAUZXJQG-RLLQIKCJSA-N 2 0 343.515 2.364 10 0 EEAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCc3ccccc3)CC2)CCC1 ZINC001499248170 1112199811 /nfs/dbraw/zinc/19/98/11/1112199811.db2.gz DBSGDXMSOVFAOA-UHFFFAOYSA-N 2 0 329.488 2.342 10 0 EEAERP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001499896754 1112532160 /nfs/dbraw/zinc/53/21/60/1112532160.db2.gz OGHFNAWPJCNLMP-NVXWUHKLSA-N 2 0 325.472 2.191 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001499909875 1112536980 /nfs/dbraw/zinc/53/69/80/1112536980.db2.gz WYWRTVXECQQTRJ-KRWDZBQOSA-N 2 0 339.443 2.262 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@]3(CC[N@H+](CCCF)C3)C2)CC1 ZINC001500155233 1112642306 /nfs/dbraw/zinc/64/23/06/1112642306.db2.gz BOZJBDAXBJZQCT-SFHVURJKSA-N 2 0 339.499 2.392 10 0 EEAERP COCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001501063381 1113186115 /nfs/dbraw/zinc/18/61/15/1113186115.db2.gz SHFBPJXEAXBYCJ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ocnc1C ZINC001501171380 1113226680 /nfs/dbraw/zinc/22/66/80/1113226680.db2.gz ADBVJQZIOSKCLZ-BJWYYQGGSA-N 2 0 348.491 2.184 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC001501230115 1113253720 /nfs/dbraw/zinc/25/37/20/1113253720.db2.gz SUJXZIIARUXIBO-FCEWJHQRSA-N 2 0 345.462 2.155 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](Cc1cnc(C)o1)CC2 ZINC001501746603 1113460329 /nfs/dbraw/zinc/46/03/29/1113460329.db2.gz LUMKTHRUGZRNRR-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccnc1)[NH+]1CCCC1 ZINC001502400976 1113666758 /nfs/dbraw/zinc/66/67/58/1113666758.db2.gz FGTMNJJUSCBQEY-LJQANCHMSA-N 2 0 346.519 2.482 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC001502795222 1113802177 /nfs/dbraw/zinc/80/21/77/1113802177.db2.gz DQEDYKVQNVSDFA-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP CCCCOCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001502795605 1113802998 /nfs/dbraw/zinc/80/29/98/1113802998.db2.gz RYMWSNVBMDVXBZ-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001505465555 1114000453 /nfs/dbraw/zinc/00/04/53/1114000453.db2.gz IXSIIOIOQICKDH-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP CCOCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001505465553 1114000870 /nfs/dbraw/zinc/00/08/70/1114000870.db2.gz IXSIIOIOQICKDH-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505667134 1114119380 /nfs/dbraw/zinc/11/93/80/1114119380.db2.gz IXSLPDUHWOOEDW-STQMWFEESA-N 2 0 336.480 2.149 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001505760638 1114174763 /nfs/dbraw/zinc/17/47/63/1114174763.db2.gz NPMDEECPUNHHJW-KBPBESRZSA-N 2 0 344.459 2.341 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2nccs2)CCCCC1 ZINC001506534912 1114680822 /nfs/dbraw/zinc/68/08/22/1114680822.db2.gz ZKWGMNYSIOXHLB-UHFFFAOYSA-N 2 0 338.521 2.392 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(C)ccc3C)C[C@H]21 ZINC001506824498 1114896644 /nfs/dbraw/zinc/89/66/44/1114896644.db2.gz DDDGEGKXBFNVEX-OWZKRDHZSA-N 2 0 343.515 2.439 10 0 EEAERP Cc1nc(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)oc1C ZINC001506992603 1115037547 /nfs/dbraw/zinc/03/75/47/1115037547.db2.gz JVOSNNLNIRDRTQ-MRXNPFEDSA-N 2 0 336.480 2.008 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ocnc2C)C1 ZINC001507112216 1115114679 /nfs/dbraw/zinc/11/46/79/1115114679.db2.gz HXUIXJQJRVLFFL-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCOCC1 ZINC001507128453 1115123063 /nfs/dbraw/zinc/12/30/63/1115123063.db2.gz BTOZFHPGAPDNQB-SJLPKXTDSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001507163342 1115142406 /nfs/dbraw/zinc/14/24/06/1115142406.db2.gz UNVKCIVQUNTKLY-STQMWFEESA-N 2 0 338.323 2.347 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507339213 1115202719 /nfs/dbraw/zinc/20/27/19/1115202719.db2.gz MMGNBDSPRLVKPM-QFBILLFUSA-N 2 0 347.503 2.366 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001507428699 1115263429 /nfs/dbraw/zinc/26/34/29/1115263429.db2.gz UHGBLVHXPTYNHJ-IRXDYDNUSA-N 2 0 348.491 2.234 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001567925810 1124184067 /nfs/dbraw/zinc/18/40/67/1124184067.db2.gz UDOOIRGSZZUXBI-LJQANCHMSA-N 2 0 346.519 2.463 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568407792 1124477251 /nfs/dbraw/zinc/47/72/51/1124477251.db2.gz VADJEILLUDFONG-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001568639921 1124653251 /nfs/dbraw/zinc/65/32/51/1124653251.db2.gz CFJWEUJZKDIUII-LLVKDONJSA-N 2 0 344.912 2.265 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568684648 1124695829 /nfs/dbraw/zinc/69/58/29/1124695829.db2.gz HYSKAJRWCVIHDQ-HUUCEWRRSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001568700866 1124715968 /nfs/dbraw/zinc/71/59/68/1124715968.db2.gz XTURPEHSDVFSGC-WBMJQRKESA-N 2 0 340.537 2.331 10 0 EEAERP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568708144 1124724233 /nfs/dbraw/zinc/72/42/33/1124724233.db2.gz AUXVCCMXEGCWJE-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)CC[C@@H]2CCC[N@H+]2C)sn1 ZINC001568865750 1124891398 /nfs/dbraw/zinc/89/13/98/1124891398.db2.gz KJDMNSUCRQWRPD-JZIMQPMSSA-N 2 0 336.505 2.088 10 0 EEAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+](CCC2)C3)s1 ZINC001568872039 1124896816 /nfs/dbraw/zinc/89/68/16/1124896816.db2.gz SHQVQPUZBQHNCD-NSCUHMNNSA-N 2 0 348.516 2.090 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568969507 1125007605 /nfs/dbraw/zinc/00/76/05/1125007605.db2.gz MHQAKJOHIQZDDW-OSNZYPHYSA-N 2 0 330.476 2.025 10 0 EEAERP COCCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001569167702 1125141312 /nfs/dbraw/zinc/14/13/12/1125141312.db2.gz DQHUPQICLPPKQY-ROUUACIJSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCCc2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569267111 1125206419 /nfs/dbraw/zinc/20/64/19/1125206419.db2.gz NFVBISVBTXAFOX-PKOBYXMFSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001569268689 1125208176 /nfs/dbraw/zinc/20/81/76/1125208176.db2.gz JCDWVXIFLDFWLU-CALCHBBNSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569270563 1125209341 /nfs/dbraw/zinc/20/93/41/1125209341.db2.gz ZPFWVGWKFPYWGU-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCF ZINC001569343804 1125244366 /nfs/dbraw/zinc/24/43/66/1125244366.db2.gz ZJGAAWDJEPXUGZ-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001565878268 1125448335 /nfs/dbraw/zinc/44/83/35/1125448335.db2.gz HSOBEOCSTXNAJO-ULQDDVLXSA-N 2 0 335.517 2.117 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000183479153 529799355 /nfs/dbraw/zinc/79/93/55/529799355.db2.gz QESSXRXDSLSPEJ-KRWDZBQOSA-N 2 0 330.407 2.319 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(=O)NCC[NH+](C)C ZINC000347199512 539852556 /nfs/dbraw/zinc/85/25/56/539852556.db2.gz MPJOQCSFFGFBOY-ROUUACIJSA-N 2 0 335.467 2.495 10 0 EEAERP COc1ccccc1C[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000127790314 222882639 /nfs/dbraw/zinc/88/26/39/222882639.db2.gz OAVHGGJJPONMQJ-IEBWSBKVSA-N 2 0 333.520 2.488 10 0 EEAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)n(C)n1 ZINC000423070500 240352004 /nfs/dbraw/zinc/35/20/04/240352004.db2.gz CWHIACFWQZPLAG-NEWSRXKRSA-N 2 0 341.503 2.245 10 0 EEAERP c1ccc([C@H](CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000422733910 240199573 /nfs/dbraw/zinc/19/95/73/240199573.db2.gz RYVGHURSHPPONB-SLFFLAALSA-N 2 0 329.488 2.180 10 0 EEAERP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422866230 240265260 /nfs/dbraw/zinc/26/52/60/240265260.db2.gz QECHOXUPJNUVQU-QFHJOOASSA-N 2 0 348.487 2.252 10 0 EEAERP COC[C@@]1(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423414407 240480099 /nfs/dbraw/zinc/48/00/99/240480099.db2.gz MTTBTEYQMWNXHV-RXVVDRJESA-N 2 0 345.531 2.440 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000449234631 242490680 /nfs/dbraw/zinc/49/06/80/242490680.db2.gz QXBQZTCFRFMMHL-UTKZUKDTSA-N 2 0 346.515 2.459 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080715517 217327626 /nfs/dbraw/zinc/32/76/26/217327626.db2.gz PDZCJTGKDKVGLX-ALOPSCKCSA-N 2 0 345.487 2.372 10 0 EEAERP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000268598727 252054245 /nfs/dbraw/zinc/05/42/45/252054245.db2.gz UIZWVBNWTSEMMD-LJQANCHMSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000270511829 256143232 /nfs/dbraw/zinc/14/32/32/256143232.db2.gz LMPMTHKXAYQLLG-MOPGFXCFSA-N 2 0 342.487 2.312 10 0 EEAERP NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000273347152 256288747 /nfs/dbraw/zinc/28/87/47/256288747.db2.gz AHFGBHMEBLBASV-FQEVSTJZSA-N 2 0 337.467 2.469 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCC2CC[NH+](C)CC2)ccc1F ZINC000115822438 152039413 /nfs/dbraw/zinc/03/94/13/152039413.db2.gz SWNCKRXFCUOLSA-UHFFFAOYSA-N 2 0 336.455 2.028 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000122447753 292273029 /nfs/dbraw/zinc/27/30/29/292273029.db2.gz URQPOHGIFUPBME-LXPRWKDFSA-N 2 0 338.540 2.384 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000352222417 153010968 /nfs/dbraw/zinc/01/09/68/153010968.db2.gz QMAUACHBLLEIJL-UHFFFAOYSA-N 2 0 328.460 2.024 10 0 EEAERP CCCO[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000108395077 159340548 /nfs/dbraw/zinc/34/05/48/159340548.db2.gz KYDUUFJYCFGADL-SFHVURJKSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nccn1CCCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000120719867 159395442 /nfs/dbraw/zinc/39/54/42/159395442.db2.gz HWSPNSMNLBZHRC-UHFFFAOYSA-N 2 0 328.464 2.282 10 0 EEAERP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)NCC1CC1 ZINC000248391043 160343060 /nfs/dbraw/zinc/34/30/60/160343060.db2.gz BVVQKDBYCMVYCI-XUVXKRRUSA-N 2 0 341.499 2.403 10 0 EEAERP CCc1nc(CN2CCC(C[NH2+][C@H]3CN(C)C[C@H]3C)CC2)cs1 ZINC000344360103 161220189 /nfs/dbraw/zinc/22/01/89/161220189.db2.gz PFCIIOXVHPLUAU-PBHICJAKSA-N 3 0 336.549 2.457 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000346370490 161366984 /nfs/dbraw/zinc/36/69/84/161366984.db2.gz KWDTYZMEEBJOLJ-WMZOPIPTSA-N 2 0 344.503 2.041 10 0 EEAERP C[C@H]1[C@H](C)N(C(=O)c2cnn(-c3ccncc3)c2C(F)F)CCN1C ZINC000346489009 161376399 /nfs/dbraw/zinc/37/63/99/161376399.db2.gz KCEWYBKCPUGCTF-RYUDHWBXSA-N 2 0 349.385 2.370 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000375840032 167210697 /nfs/dbraw/zinc/21/06/97/167210697.db2.gz OEQIJHXEEMPBME-GUTXKFCHSA-N 2 0 337.489 2.325 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@H]2CCC[C@H]21 ZINC000376112471 167264261 /nfs/dbraw/zinc/26/42/61/167264261.db2.gz FURKNCIAULVVCU-FGTMMUONSA-N 2 0 341.455 2.135 10 0 EEAERP Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272762005 269016105 /nfs/dbraw/zinc/01/61/05/269016105.db2.gz GAPAZHOLOQRQGV-WMLDXEAASA-N 2 0 331.464 2.016 10 0 EEAERP COc1c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)nn1C ZINC000092813263 274089692 /nfs/dbraw/zinc/08/96/92/274089692.db2.gz BWLBEDAULQCYBR-HNNXBMFYSA-N 2 0 329.448 2.375 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)[C@H]1n1cccn1 ZINC000423145580 276354600 /nfs/dbraw/zinc/35/46/00/276354600.db2.gz LKNJUNZPNYORGT-BVPBIZIASA-N 2 0 329.448 2.115 10 0 EEAERP CCOC(C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)OCC ZINC000184962678 276448465 /nfs/dbraw/zinc/44/84/65/276448465.db2.gz NILLPCPDUDFCJD-HOTGVXAUSA-N 2 0 328.497 2.207 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000179189984 277166953 /nfs/dbraw/zinc/16/69/53/277166953.db2.gz HERHPYHOMMNWQP-SNRMKQJTSA-N 2 0 342.487 2.215 10 0 EEAERP CC1CC[NH+](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107833015 281816219 /nfs/dbraw/zinc/81/62/19/281816219.db2.gz ASLJHPMPWOAIAI-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423433365 289789226 /nfs/dbraw/zinc/78/92/26/289789226.db2.gz CFZHEKNVQCVCQJ-XQLPTFJDSA-N 2 0 329.444 2.309 10 0 EEAERP C[N@@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353400586 290216357 /nfs/dbraw/zinc/21/63/57/290216357.db2.gz FWEGIJLVTXWMSL-FHWLQOOXSA-N 2 0 335.536 2.484 10 0 EEAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000284588826 311489978 /nfs/dbraw/zinc/48/99/78/311489978.db2.gz ZOPKLEMMNTXQCQ-XNFNUYLZSA-N 2 0 331.504 2.413 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000333805360 312199925 /nfs/dbraw/zinc/19/99/25/312199925.db2.gz ORRUFEZYNXIAFQ-SJORKVTESA-N 2 0 336.524 2.330 10 0 EEAERP Cn1ncc(Cl)c1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397581785 312446680 /nfs/dbraw/zinc/44/66/80/312446680.db2.gz GMNQSFANFUEULC-UHFFFAOYSA-N 2 0 348.878 2.190 10 0 EEAERP CCN(CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416866091 313340871 /nfs/dbraw/zinc/34/08/71/313340871.db2.gz ALUUGKQGFCLVHQ-HNNXBMFYSA-N 2 0 340.418 2.199 10 0 EEAERP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000417835671 313613239 /nfs/dbraw/zinc/61/32/39/313613239.db2.gz GQLZUHCJNMXUBK-QZTJIDSGSA-N 2 0 336.524 2.138 10 0 EEAERP [NH3+]C[C@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCCC1 ZINC000418375714 313797327 /nfs/dbraw/zinc/79/73/27/313797327.db2.gz HVTLLMYVXBDFDD-ZOAQYOGUSA-N 2 0 348.535 2.347 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418607038 313858933 /nfs/dbraw/zinc/85/89/33/313858933.db2.gz ZYAFDSWMKSVCCL-VQIMIIECSA-N 2 0 344.503 2.290 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)CC1 ZINC000527006165 317139788 /nfs/dbraw/zinc/13/97/88/317139788.db2.gz JIJRJZQLEKMOQB-HNNXBMFYSA-N 2 0 330.476 2.406 10 0 EEAERP C[NH+](C)C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000529384483 317584080 /nfs/dbraw/zinc/58/40/80/317584080.db2.gz JDLHNFCOVXVCRG-SMDDNHRTSA-N 2 0 345.274 2.339 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000547984826 318340921 /nfs/dbraw/zinc/34/09/21/318340921.db2.gz QMPFFOZXRVSWOS-UHFFFAOYSA-N 2 0 337.431 2.079 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000561182301 318829176 /nfs/dbraw/zinc/82/91/76/318829176.db2.gz HWLARKZSBMMPPR-UHOFOFEASA-N 2 0 338.883 2.240 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000563593442 319027181 /nfs/dbraw/zinc/02/71/81/319027181.db2.gz VIVWKKFFVGTWSV-LSDHHAIUSA-N 2 0 344.450 2.080 10 0 EEAERP COc1ccc([C@@H](C[NH3+])CN2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000564212348 319072598 /nfs/dbraw/zinc/07/25/98/319072598.db2.gz SYTWUPJCNVDZPD-PXNSSMCTSA-N 2 0 325.456 2.296 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000566450788 319289308 /nfs/dbraw/zinc/28/93/08/319289308.db2.gz JQXKYQZBGUPJMX-FXAWDEMLSA-N 2 0 329.488 2.499 10 0 EEAERP CC[NH+]1CCC(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000567359697 319373446 /nfs/dbraw/zinc/37/34/46/319373446.db2.gz MVEOCBAEHHNHSW-UHFFFAOYSA-N 2 0 329.488 2.283 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NCc2ccc(C[NH3+])cc2)ccc1F ZINC000567820726 319422745 /nfs/dbraw/zinc/42/27/45/319422745.db2.gz OJIOZGNMJUJPKM-UHFFFAOYSA-N 2 0 344.434 2.345 10 0 EEAERP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)Cn1cccn1 ZINC000572834358 319881378 /nfs/dbraw/zinc/88/13/78/319881378.db2.gz GFFORLZVLRVGPI-IBGZPJMESA-N 2 0 328.460 2.020 10 0 EEAERP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574280759 320012415 /nfs/dbraw/zinc/01/24/15/320012415.db2.gz RDVRROPXECHJPD-HXUWFJFHSA-N 2 0 336.439 2.463 10 0 EEAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000574450433 320026416 /nfs/dbraw/zinc/02/64/16/320026416.db2.gz OLIBWFSPGKODAH-FCEWJHQRSA-N 2 0 332.492 2.466 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000576688936 320195073 /nfs/dbraw/zinc/19/50/73/320195073.db2.gz XJKDBCWLSGYKEH-QAPCUYQASA-N 2 0 330.476 2.476 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000339237662 465159170 /nfs/dbraw/zinc/15/91/70/465159170.db2.gz TVHQBNJMCXCESI-IBGZPJMESA-N 2 0 338.455 2.148 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000341436743 465165715 /nfs/dbraw/zinc/16/57/15/465165715.db2.gz WIMPBFDSFSOVJF-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP Cc1cnc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000129010592 462685244 /nfs/dbraw/zinc/68/52/44/462685244.db2.gz GOEINWYLUXWGBI-YIONKMFJSA-N 2 0 349.504 2.226 10 0 EEAERP COc1ccccc1C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000155116123 462849967 /nfs/dbraw/zinc/84/99/67/462849967.db2.gz QMCJJMPCFCCYKJ-PKOBYXMFSA-N 2 0 333.520 2.488 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000579223557 468327964 /nfs/dbraw/zinc/32/79/64/468327964.db2.gz ARJYPZBRDQGUPD-FGTMMUONSA-N 2 0 325.541 2.179 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000535787786 468330630 /nfs/dbraw/zinc/33/06/30/468330630.db2.gz IQZNGVPHZCASHG-JKSUJKDBSA-N 2 0 330.476 2.157 10 0 EEAERP CNC(=O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2nc3ccccc3o2)CC1 ZINC000095994218 463132520 /nfs/dbraw/zinc/13/25/20/463132520.db2.gz ZUZHJQRZOSQUIO-CQSZACIVSA-N 2 0 344.459 2.279 10 0 EEAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000590859850 468359107 /nfs/dbraw/zinc/35/91/07/468359107.db2.gz TWRYVTSOSSGPQB-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)n1cccc1 ZINC000522649791 468374094 /nfs/dbraw/zinc/37/40/94/468374094.db2.gz AHQYSZBHETWPCP-ZWKOTPCHSA-N 2 0 334.508 2.314 10 0 EEAERP C[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268835317 463792319 /nfs/dbraw/zinc/79/23/19/463792319.db2.gz LNQHWVAZKCJDMJ-NRSPTQNISA-N 3 0 345.531 2.476 10 0 EEAERP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000261669339 463821571 /nfs/dbraw/zinc/82/15/71/463821571.db2.gz GEUHZRPBFZXLFO-IBGZPJMESA-N 2 0 345.487 2.043 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261713532 463836892 /nfs/dbraw/zinc/83/68/92/463836892.db2.gz MSHAWANEXVCWSW-IBGZPJMESA-N 2 0 334.427 2.117 10 0 EEAERP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261875841 463884798 /nfs/dbraw/zinc/88/47/98/463884798.db2.gz DRJAIHLIQLDXJP-GUDVDZBRSA-N 2 0 348.487 2.267 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000262060612 463938460 /nfs/dbraw/zinc/93/84/60/463938460.db2.gz REIWXNORGPCBII-OAQYLSRUSA-N 2 0 342.531 2.404 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000262082486 463941470 /nfs/dbraw/zinc/94/14/70/463941470.db2.gz QQFHFSCGXFMOFF-AWEZNQCLSA-N 2 0 347.484 2.246 10 0 EEAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000179152313 464068494 /nfs/dbraw/zinc/06/84/94/464068494.db2.gz QDOPDSDUFQQALK-QZTJIDSGSA-N 2 0 330.476 2.215 10 0 EEAERP CC(C)NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285397685 464549374 /nfs/dbraw/zinc/54/93/74/464549374.db2.gz CIRDMDLEVJAISS-FQEVSTJZSA-N 2 0 329.488 2.499 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246433431 464583338 /nfs/dbraw/zinc/58/33/38/464583338.db2.gz MWSJWIRJNPIMAP-HKUYNNGSSA-N 2 0 346.519 2.490 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247284188 464663638 /nfs/dbraw/zinc/66/36/38/464663638.db2.gz KLDRVBWZZOTUKE-MOPGFXCFSA-N 2 0 331.504 2.253 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000176453751 464777796 /nfs/dbraw/zinc/77/77/96/464777796.db2.gz IHOICOAYGTTWMB-INIZCTEOSA-N 2 0 347.507 2.388 10 0 EEAERP C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248652873 464780608 /nfs/dbraw/zinc/78/06/08/464780608.db2.gz OFUBTYOTVIDZNC-WMZOPIPTSA-N 2 0 344.503 2.283 10 0 EEAERP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccn1C ZINC000183037860 464782043 /nfs/dbraw/zinc/78/20/43/464782043.db2.gz OMXSYFHIJGVJEW-QGZVFWFLSA-N 2 0 333.524 2.411 10 0 EEAERP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000249075432 464836602 /nfs/dbraw/zinc/83/66/02/464836602.db2.gz QYTKOTFYVOQRRA-AVGNSLFASA-N 2 0 325.403 2.029 10 0 EEAERP C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000348224934 465499041 /nfs/dbraw/zinc/49/90/41/465499041.db2.gz ZRIZBUOALRVOFC-APWZRJJASA-N 2 0 343.471 2.449 10 0 EEAERP CSC1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC[NH+](C)CC1 ZINC000353215577 465720982 /nfs/dbraw/zinc/72/09/82/465720982.db2.gz WPDNENZTKKEKDW-UHFFFAOYSA-N 2 0 331.489 2.184 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]2CCC[C@H]21 ZINC000353465836 465904394 /nfs/dbraw/zinc/90/43/94/465904394.db2.gz ZNJGFPUQYKIWEK-OKZBNKHCSA-N 2 0 331.460 2.347 10 0 EEAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000361402753 465963855 /nfs/dbraw/zinc/96/38/55/465963855.db2.gz AXEAQLWKIIMHKP-KRWDZBQOSA-N 2 0 344.503 2.387 10 0 EEAERP CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000338761686 466363050 /nfs/dbraw/zinc/36/30/50/466363050.db2.gz JGCDDFWUHKTROS-MOPGFXCFSA-N 2 0 344.503 2.217 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000354215205 466384873 /nfs/dbraw/zinc/38/48/73/466384873.db2.gz GRZFBCOBYVPFTD-KRWDZBQOSA-N 2 0 329.488 2.425 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000340857544 466387506 /nfs/dbraw/zinc/38/75/06/466387506.db2.gz HLVKDGSMQFJYIZ-BHIYHBOVSA-N 2 0 346.519 2.283 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000347236958 466500343 /nfs/dbraw/zinc/50/03/43/466500343.db2.gz UBEHUDPERBWFAX-YJBOKZPZSA-N 2 0 335.492 2.438 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358182184 466520247 /nfs/dbraw/zinc/52/02/47/466520247.db2.gz DXKRBQILSGZLJS-QGZVFWFLSA-N 2 0 336.524 2.448 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957964 466688048 /nfs/dbraw/zinc/68/80/48/466688048.db2.gz WIAODMXUWVUQNY-RDJZCZTQSA-N 2 0 334.460 2.285 10 0 EEAERP C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000417596231 466890186 /nfs/dbraw/zinc/89/01/86/466890186.db2.gz ZIVIUFXGRYSOSO-UBLGTCEWSA-N 2 0 344.503 2.431 10 0 EEAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000417871104 466964029 /nfs/dbraw/zinc/96/40/29/466964029.db2.gz HAYQUHKEFHPDEC-WBVHZDCISA-N 2 0 332.492 2.483 10 0 EEAERP CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417945252 466997250 /nfs/dbraw/zinc/99/72/50/466997250.db2.gz QPOIKNIHRYXQPI-VUXNLXKLSA-N 2 0 342.487 2.356 10 0 EEAERP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418049708 467034399 /nfs/dbraw/zinc/03/43/99/467034399.db2.gz YKVNFELZQUJZIT-UYAOXDASSA-N 2 0 344.503 2.435 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418196573 467072743 /nfs/dbraw/zinc/07/27/43/467072743.db2.gz RIJMQSNCFSLXBX-QXCFHYIPSA-N 2 0 342.487 2.043 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000418341941 467095423 /nfs/dbraw/zinc/09/54/23/467095423.db2.gz IBALUNKWMFXCBG-JQHSSLGASA-N 2 0 330.476 2.215 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000418444230 467112433 /nfs/dbraw/zinc/11/24/33/467112433.db2.gz AXRUGOAPEJRUDZ-QAPCUYQASA-N 2 0 330.476 2.476 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418579825 467131154 /nfs/dbraw/zinc/13/11/54/467131154.db2.gz RXZOZGABFNKNEG-MAUKXSAKSA-N 2 0 332.492 2.278 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000418591028 467132839 /nfs/dbraw/zinc/13/28/39/467132839.db2.gz KAPMJOGRVHZEBW-AOIWGVFYSA-N 2 0 344.503 2.148 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418702645 467147897 /nfs/dbraw/zinc/14/78/97/467147897.db2.gz HDRACIZNJWVHQM-JFIYKMOQSA-N 2 0 332.492 2.276 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420309057 467348409 /nfs/dbraw/zinc/34/84/09/467348409.db2.gz SWFHOVHHDCFTSO-CABCVRRESA-N 2 0 349.441 2.499 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(CCO)CCOC2)CC1 ZINC000449189595 467622585 /nfs/dbraw/zinc/62/25/85/467622585.db2.gz PODYCUJVMLBRLC-NQIIRXRSSA-N 2 0 346.515 2.461 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000450396270 467841965 /nfs/dbraw/zinc/84/19/65/467841965.db2.gz VKIDWMCWHUEVOS-PMACEKPBSA-N 2 0 336.568 2.351 10 0 EEAERP COc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000530249313 467968120 /nfs/dbraw/zinc/96/81/20/467968120.db2.gz VATHCTIWCLXCIY-QGZVFWFLSA-N 2 0 334.460 2.294 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000516876250 468052505 /nfs/dbraw/zinc/05/25/05/468052505.db2.gz RXRLRNHCFSYVBJ-CQSZACIVSA-N 2 0 337.430 2.451 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000519699800 468195619 /nfs/dbraw/zinc/19/56/19/468195619.db2.gz MXLAIDMDLPQFNW-QWHCGFSZSA-N 2 0 335.835 2.258 10 0 EEAERP Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000582664647 468574838 /nfs/dbraw/zinc/57/48/38/468574838.db2.gz LHPACGOKVFUVRX-QGZVFWFLSA-N 2 0 325.460 2.442 10 0 EEAERP CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561213149 468876347 /nfs/dbraw/zinc/87/63/47/468876347.db2.gz WOQYDOAKCSTHQP-MOPGFXCFSA-N 2 0 344.503 2.420 10 0 EEAERP CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000625944373 469444321 /nfs/dbraw/zinc/44/43/21/469444321.db2.gz CLFWMNSWDJRQHR-UHFFFAOYSA-N 2 0 346.475 2.412 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629538093 469573959 /nfs/dbraw/zinc/57/39/59/469573959.db2.gz MBNUVRWSLWDRDO-XUVXKRRUSA-N 3 0 331.504 2.242 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000629654421 469598594 /nfs/dbraw/zinc/59/85/94/469598594.db2.gz XEVBKEHPSNFLIQ-UHFFFAOYSA-N 2 0 334.439 2.296 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340467 469629331 /nfs/dbraw/zinc/62/93/31/469629331.db2.gz JGLMWIPTSARQTG-MOPGFXCFSA-N 2 0 331.504 2.350 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1(C)C ZINC000623430541 469655570 /nfs/dbraw/zinc/65/55/70/469655570.db2.gz WNZRPRJKUJVFCI-SJORKVTESA-N 2 0 345.487 2.129 10 0 EEAERP C[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375309 469697386 /nfs/dbraw/zinc/69/73/86/469697386.db2.gz AUTNHFHDGNNOEH-RRFJBIMHSA-N 2 0 330.476 2.284 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626936384 469761845 /nfs/dbraw/zinc/76/18/45/469761845.db2.gz UTMVKWHXIDTXCC-YTQUADARSA-N 2 0 336.524 2.282 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000627017229 469791330 /nfs/dbraw/zinc/79/13/30/469791330.db2.gz SWPOROOXPREKOC-OTWHNJEPSA-N 2 0 344.503 2.337 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC000627195880 469840366 /nfs/dbraw/zinc/84/03/66/469840366.db2.gz FQFFWEIXQJFXEZ-BZSNNMDCSA-N 2 0 336.524 2.280 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)[C@@H](C)C1 ZINC000624102420 469840882 /nfs/dbraw/zinc/84/08/82/469840882.db2.gz VWJGEOQFYIDGNH-GJZGRUSLSA-N 2 0 334.451 2.263 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627197764 469841220 /nfs/dbraw/zinc/84/12/20/469841220.db2.gz NVGAVQBSNQWKEM-CRAIPNDOSA-N 2 0 332.492 2.420 10 0 EEAERP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000627242224 469854933 /nfs/dbraw/zinc/85/49/33/469854933.db2.gz OKKLQTWLLRLPHN-CGTJXYLNSA-N 2 0 330.476 2.043 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631769818 470182440 /nfs/dbraw/zinc/18/24/40/470182440.db2.gz PPVPQMYUJFHJGO-DSLXNQLJSA-N 2 0 329.488 2.496 10 0 EEAERP C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000634639695 470272870 /nfs/dbraw/zinc/27/28/70/470272870.db2.gz NRSNOMQYPYOSCC-PMACEKPBSA-N 2 0 332.488 2.284 10 0 EEAERP C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000646185791 470558984 /nfs/dbraw/zinc/55/89/84/470558984.db2.gz JBPYBFVCNURGEB-APWZRJJASA-N 2 0 344.503 2.376 10 0 EEAERP Cc1ccccc1-n1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cn1 ZINC000647203060 470856835 /nfs/dbraw/zinc/85/68/35/470856835.db2.gz IOBUFXSMFVGERY-GOSISDBHSA-N 2 0 341.503 2.296 10 0 EEAERP C[C@H]([NH2+]CCCc1ncn(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000647325422 470882415 /nfs/dbraw/zinc/88/24/15/470882415.db2.gz FVWOYYLETMQYKQ-HNNXBMFYSA-N 2 0 331.464 2.039 10 0 EEAERP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713750 470948589 /nfs/dbraw/zinc/94/85/89/470948589.db2.gz AHTXDFDXZIJESJ-UHFFFAOYSA-N 2 0 330.881 2.352 10 0 EEAERP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1OCC(=O)N(C)C ZINC000650744631 470957078 /nfs/dbraw/zinc/95/70/78/470957078.db2.gz SBFCSVQTQMXEBI-MRXNPFEDSA-N 2 0 333.476 2.323 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000644577866 470986256 /nfs/dbraw/zinc/98/62/56/470986256.db2.gz NCHAHOOYJBFXEA-NXEWRWPSSA-N 2 0 331.504 2.084 10 0 EEAERP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606597 470994865 /nfs/dbraw/zinc/99/48/65/470994865.db2.gz VQIIEFWRPZKCRQ-SOAGJPPSSA-N 2 0 333.520 2.189 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000654509524 471046336 /nfs/dbraw/zinc/04/63/36/471046336.db2.gz BNUVWDZHZJQJER-BZZMCLGOSA-N 2 0 330.476 2.071 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N[C@H]3CC[NH2+]C34CCCC4)ccc21 ZINC000648206168 471122520 /nfs/dbraw/zinc/12/25/20/471122520.db2.gz UYVWNZAWCVTGCD-SFHVURJKSA-N 2 0 340.471 2.395 10 0 EEAERP Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c2c([nH+]1)CCCC2 ZINC000645095353 471134622 /nfs/dbraw/zinc/13/46/22/471134622.db2.gz CGWXVUXUDCBEOR-HNNXBMFYSA-N 2 0 327.432 2.202 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C3(OC)CCC3)cn2)CC1 ZINC000657839332 471239665 /nfs/dbraw/zinc/23/96/65/471239665.db2.gz SFOIESWOJHKQAW-MRXNPFEDSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@@H]1CN(C(=O)NC/C=C/C[NH3+])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652219751 471257652 /nfs/dbraw/zinc/25/76/52/471257652.db2.gz KWLXZZXIYPBGFO-JVSXQDPISA-N 2 0 330.476 2.194 10 0 EEAERP OC1(C[NH2+][C@H]2CCCn3nccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000658034856 471261539 /nfs/dbraw/zinc/26/15/39/471261539.db2.gz LKFMPKURLGNSMB-SFHVURJKSA-N 2 0 340.471 2.335 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000658107702 471266379 /nfs/dbraw/zinc/26/63/79/471266379.db2.gz NKBVISXCSMTGLB-HOTGVXAUSA-N 2 0 331.508 2.496 10 0 EEAERP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000652617039 471315210 /nfs/dbraw/zinc/31/52/10/471315210.db2.gz NJIQTISVCNXAOQ-CQSZACIVSA-N 2 0 328.420 2.215 10 0 EEAERP CCN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000666213437 471318387 /nfs/dbraw/zinc/31/83/87/471318387.db2.gz FTDRVZZFTAJIGU-INIZCTEOSA-N 2 0 328.420 2.215 10 0 EEAERP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658649 471432274 /nfs/dbraw/zinc/43/22/74/471432274.db2.gz FRZUDAQLFBKRQZ-HOCLYGCPSA-N 2 0 347.425 2.205 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000666664735 471488487 /nfs/dbraw/zinc/48/84/87/471488487.db2.gz LMPXZDBGHBSRAZ-SJLPKXTDSA-N 2 0 332.492 2.049 10 0 EEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113475 471495476 /nfs/dbraw/zinc/49/54/76/471495476.db2.gz CTDMBOXHWBLBGN-YSIASYRMSA-N 2 0 341.499 2.198 10 0 EEAERP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926621 471543712 /nfs/dbraw/zinc/54/37/12/471543712.db2.gz FTUSTXPTTOTXGR-ZDUSSCGKSA-N 2 0 338.418 2.174 10 0 EEAERP CCC1(CNC(=O)NC[C@H](C)[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000669543372 471544084 /nfs/dbraw/zinc/54/40/84/471544084.db2.gz QLUPCOKQJPHBQP-INIZCTEOSA-N 2 0 332.492 2.325 10 0 EEAERP [NH3+][C@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1 ZINC000659371075 471596501 /nfs/dbraw/zinc/59/65/01/471596501.db2.gz YNQDXFUVIXIFAR-QZTJIDSGSA-N 2 0 325.412 2.376 10 0 EEAERP C[NH+](C)CCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669757895 471607832 /nfs/dbraw/zinc/60/78/32/471607832.db2.gz LZRQXNRRSWHTOJ-HNNXBMFYSA-N 2 0 333.480 2.060 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000659445288 471632273 /nfs/dbraw/zinc/63/22/73/471632273.db2.gz QISVMXQBAQGVSI-KZNAEPCWSA-N 2 0 348.466 2.213 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000664124527 471646027 /nfs/dbraw/zinc/64/60/27/471646027.db2.gz BLAXOGGLDGETDR-LJQANCHMSA-N 2 0 344.503 2.417 10 0 EEAERP C[C@@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659479136 471648860 /nfs/dbraw/zinc/64/88/60/471648860.db2.gz HLRBEJJCFXYNET-QAPCUYQASA-N 2 0 334.508 2.058 10 0 EEAERP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000659491848 471653928 /nfs/dbraw/zinc/65/39/28/471653928.db2.gz DMLIRQUKLIDSKC-RKTXRCNFSA-N 2 0 336.455 2.067 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659579599 471685163 /nfs/dbraw/zinc/68/51/63/471685163.db2.gz JZCLUPUBFKSJPS-IPMKNSEASA-N 2 0 344.503 2.258 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659583391 471688124 /nfs/dbraw/zinc/68/81/24/471688124.db2.gz QZUXNNWCLVMSFA-RTBURBONSA-N 2 0 344.503 2.115 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000667811675 471917052 /nfs/dbraw/zinc/91/70/52/471917052.db2.gz SBZXHPCSYTWJGY-MSOLQXFVSA-N 2 0 349.523 2.017 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662386832 472093826 /nfs/dbraw/zinc/09/38/26/472093826.db2.gz NROVOMHQFLFMAU-GJZGRUSLSA-N 2 0 348.491 2.239 10 0 EEAERP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687542 472206980 /nfs/dbraw/zinc/20/69/80/472206980.db2.gz ZYVVAOLHMYTKOY-MSOLQXFVSA-N 2 0 325.412 2.294 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(F)c1 ZINC000668654375 472210144 /nfs/dbraw/zinc/21/01/44/472210144.db2.gz XVAJPEKDAGJFJQ-PKOBYXMFSA-N 2 0 348.466 2.214 10 0 EEAERP [NH3+]C1(C(=O)NCCN2CCc3c(Cl)cccc3C2)CC2(CCC2)C1 ZINC000662811517 472263499 /nfs/dbraw/zinc/26/34/99/472263499.db2.gz ZDBNNOWREUCBNU-UHFFFAOYSA-N 2 0 347.890 2.476 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662920119 472298790 /nfs/dbraw/zinc/29/87/90/472298790.db2.gz RGDDRXXCDFEDSI-MKXGPGLRSA-N 2 0 339.483 2.155 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770520 485524795 /nfs/dbraw/zinc/52/47/95/485524795.db2.gz CEFUIPQUFPHRJF-CVEARBPZSA-N 2 0 338.883 2.336 10 0 EEAERP C[NH+](Cc1ccccc1)C[C@H](O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000673855999 485557725 /nfs/dbraw/zinc/55/77/25/485557725.db2.gz ICXYBXAFXWEVQR-RTWAWAEBSA-N 2 0 345.531 2.143 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000673862418 485559656 /nfs/dbraw/zinc/55/96/56/485559656.db2.gz KPUAJMNXFAYULX-HZPDHXFCSA-N 2 0 326.404 2.016 10 0 EEAERP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542876 485730118 /nfs/dbraw/zinc/73/01/18/485730118.db2.gz OADCJISWPPQGSL-RYQLBKOJSA-N 2 0 336.524 2.423 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629546366 485731225 /nfs/dbraw/zinc/73/12/25/485731225.db2.gz PGMOTXLBUKETSI-UONOGXRCSA-N 2 0 329.847 2.401 10 0 EEAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000416126841 534416156 /nfs/dbraw/zinc/41/61/56/534416156.db2.gz BYRYDZAYKDLXNM-MRXNPFEDSA-N 2 0 327.472 2.035 10 0 EEAERP CC(C)C[NH+]1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000055082625 535107324 /nfs/dbraw/zinc/10/73/24/535107324.db2.gz WLINQFNOUMFRRJ-UHFFFAOYSA-N 2 0 327.270 2.081 10 0 EEAERP CC[S@](=O)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000759814755 577651019 /nfs/dbraw/zinc/65/10/19/577651019.db2.gz ODEZGVYUSNRUIP-QHCPKHFHSA-N 2 0 337.533 2.075 10 0 EEAERP CC(=O)Oc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000178141710 681715758 /nfs/dbraw/zinc/71/57/58/681715758.db2.gz STCPLNARDKIOAH-HNNXBMFYSA-N 2 0 334.460 2.137 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)n(C)n1 ZINC000925023985 682552124 /nfs/dbraw/zinc/55/21/24/682552124.db2.gz QOVRGSCKOBYIGW-NLWGTHIKSA-N 2 0 348.535 2.266 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2c(n1)CCCC2 ZINC000925040962 682659369 /nfs/dbraw/zinc/65/93/69/682659369.db2.gz LSGIFXCFBKSJJH-JKSUJKDBSA-N 2 0 331.508 2.039 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c2c1OC(F)(F)O2 ZINC000894541111 682961903 /nfs/dbraw/zinc/96/19/03/682961903.db2.gz OUWVFRXVUFEGAH-BXUZGUMPSA-N 2 0 342.386 2.320 10 0 EEAERP CS(=O)(=O)C1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925671823 684806585 /nfs/dbraw/zinc/80/65/85/684806585.db2.gz RHGYQJHUPSRTCX-JKSUJKDBSA-N 2 0 328.522 2.102 10 0 EEAERP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000904093387 694295876 /nfs/dbraw/zinc/29/58/76/694295876.db2.gz VBFUTYACOWIHQX-AWEZNQCLSA-N 2 0 330.432 2.390 10 0 EEAERP C[NH+](C)CCOc1ccc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1F ZINC000897963512 691834357 /nfs/dbraw/zinc/83/43/57/691834357.db2.gz ZMTUSMTYQRDVPX-SFHVURJKSA-N 2 0 335.423 2.191 10 0 EEAERP C[C@H]1CC2(CC([NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)C2)CO1 ZINC000924723265 693281060 /nfs/dbraw/zinc/28/10/60/693281060.db2.gz QIDWIZALMZRGTR-RPCJCACASA-N 2 0 343.515 2.481 10 0 EEAERP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001485575682 1191852753 /nfs/dbraw/zinc/85/27/53/1191852753.db2.gz QSTRJUOWJYXYTH-IAGOWNOFSA-N 2 0 341.540 2.072 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2C1 ZINC001485656397 1191874902 /nfs/dbraw/zinc/87/49/02/1191874902.db2.gz CMWQEPMRRCKEJL-RBSFLKMASA-N 2 0 349.441 2.497 10 0 EEAERP Cc1nocc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001485657971 1191878976 /nfs/dbraw/zinc/87/89/76/1191878976.db2.gz QJOVZURXSVRXPY-JZXOWHBKSA-N 2 0 348.491 2.042 10 0 EEAERP CCC[N@H+](CCNC(=O)Cc1[nH]cnc1C)Cc1ccc(Cl)nc1 ZINC001266577530 1176879116 /nfs/dbraw/zinc/87/91/16/1176879116.db2.gz OEZDGMCCUQUUNB-UHFFFAOYSA-N 2 0 349.866 2.337 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2C[N@H+](CCCF)CC[C@H]21 ZINC001266664109 1177086965 /nfs/dbraw/zinc/08/69/65/1177086965.db2.gz UODPZXXCCZHRNX-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798371 1177449991 /nfs/dbraw/zinc/44/99/91/1177449991.db2.gz OIECHLZGUCPKON-UHFFFAOYSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)s1 ZINC001691165735 1177663346 /nfs/dbraw/zinc/66/33/46/1177663346.db2.gz FHQCWARWUYOENL-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCCCF)C1 ZINC001691171028 1177668726 /nfs/dbraw/zinc/66/87/26/1177668726.db2.gz LWYMIZTWYVGSCC-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001691173526 1177672410 /nfs/dbraw/zinc/67/24/10/1177672410.db2.gz HPLXHXUPPNKJMY-LJQANCHMSA-N 2 0 344.503 2.286 10 0 EEAERP CC(C)COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266874704 1177680693 /nfs/dbraw/zinc/68/06/93/1177680693.db2.gz QLZBDLWXIDKSNV-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nccs1 ZINC001266880499 1177694815 /nfs/dbraw/zinc/69/48/15/1177694815.db2.gz KUDHSZMVCZZAOP-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001266883638 1177698068 /nfs/dbraw/zinc/69/80/68/1177698068.db2.gz DAWNCRSOLAWRHI-MRXNPFEDSA-N 2 0 335.517 2.357 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267070331 1178187617 /nfs/dbraw/zinc/18/76/17/1178187617.db2.gz LFOYMCUTCYNUDT-GOSISDBHSA-N 2 0 347.503 2.152 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1ccc(F)cc1 ZINC001480922945 1178452392 /nfs/dbraw/zinc/45/23/92/1178452392.db2.gz IOUIIBPCUYNPDN-ROUUACIJSA-N 2 0 333.451 2.391 10 0 EEAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCCc2ccccc21 ZINC001480934723 1178834780 /nfs/dbraw/zinc/83/47/80/1178834780.db2.gz FGSZTDASMKASAS-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1ccc(C[NH+]2CCC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)n1 ZINC001481060258 1179653213 /nfs/dbraw/zinc/65/32/13/1179653213.db2.gz YHHWTQXYFLIPPO-KXBFYZLASA-N 2 0 344.503 2.121 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001481120669 1179803815 /nfs/dbraw/zinc/80/38/15/1179803815.db2.gz IOJUZEHRODJKBS-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cnc(C)cn1 ZINC001481146314 1179917928 /nfs/dbraw/zinc/91/79/28/1179917928.db2.gz ZHTGKPKGZSZGGB-MRXNPFEDSA-N 2 0 347.507 2.016 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302959 1180965682 /nfs/dbraw/zinc/96/56/82/1180965682.db2.gz UPPKSPCJKWVYTA-PKOBYXMFSA-N 2 0 343.515 2.496 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)n1 ZINC001481317583 1181017013 /nfs/dbraw/zinc/01/70/13/1181017013.db2.gz NWPDGVMHWBUQEZ-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001481455484 1181402299 /nfs/dbraw/zinc/40/22/99/1181402299.db2.gz JDAJJTFVKSZOPC-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCCO)CCCC1 ZINC001268044425 1181498716 /nfs/dbraw/zinc/49/87/16/1181498716.db2.gz BFXGIRMXWBHKQN-UHFFFAOYSA-N 2 0 339.524 2.040 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)[NH+](C)C ZINC001268069511 1181663562 /nfs/dbraw/zinc/66/35/62/1181663562.db2.gz UWWQBLSGXLEVTM-BBRMVZONSA-N 2 0 340.899 2.258 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001268169197 1181926799 /nfs/dbraw/zinc/92/67/99/1181926799.db2.gz ACHMRUFKTZLFTL-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481636855 1182004803 /nfs/dbraw/zinc/00/48/03/1182004803.db2.gz ORCRUJNJUIRQMO-OAHLLOKOSA-N 2 0 327.488 2.295 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC001481658760 1182154535 /nfs/dbraw/zinc/15/45/35/1182154535.db2.gz RGFMFWZJEWVCFF-SFHVURJKSA-N 2 0 347.890 2.471 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268412803 1182559903 /nfs/dbraw/zinc/55/99/03/1182559903.db2.gz AUQJKDBVSVTZJU-ZFWWWQNUSA-N 2 0 339.430 2.291 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1coc(C2CC2)n1 ZINC001268427697 1182599444 /nfs/dbraw/zinc/59/94/44/1182599444.db2.gz ZHMISDSQYFDQNS-YOEHRIQHSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)no1 ZINC001268427556 1182599708 /nfs/dbraw/zinc/59/97/08/1182599708.db2.gz YAFMROAYAVGEOS-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nc2ccccc2o1 ZINC001481849634 1182798842 /nfs/dbraw/zinc/79/88/42/1182798842.db2.gz LBZYJDYHTDBDES-HNNXBMFYSA-N 2 0 344.459 2.154 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccc(C)cc1 ZINC001481876312 1182851021 /nfs/dbraw/zinc/85/10/21/1182851021.db2.gz UZFVOSVWMDDJHI-MOPGFXCFSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001481953187 1183029752 /nfs/dbraw/zinc/02/97/52/1183029752.db2.gz WHPKZIVXSRDEMT-YLJYHZDGSA-N 2 0 329.488 2.321 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001481990226 1183096214 /nfs/dbraw/zinc/09/62/14/1183096214.db2.gz RWQIBAOMVOKJNY-MSOLQXFVSA-N 2 0 347.478 2.496 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001268541747 1183211921 /nfs/dbraw/zinc/21/19/21/1183211921.db2.gz IWUDMFMEFMKUBZ-JFLUXCQXSA-N 2 0 345.462 2.415 10 0 EEAERP CCOCC[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001482052089 1183248775 /nfs/dbraw/zinc/24/87/75/1183248775.db2.gz ZYBZCYKXMLTYCX-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CCn1ccnc1)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001268578457 1183339422 /nfs/dbraw/zinc/33/94/22/1183339422.db2.gz YHJXDWANWSWDPK-OWOJBTEDSA-N 2 0 332.835 2.389 10 0 EEAERP Cc1ncc2n1C[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccsc1)CC2 ZINC001268580816 1183364437 /nfs/dbraw/zinc/36/44/37/1183364437.db2.gz CPOVEXPHYZKKIZ-WOMSROEHSA-N 2 0 344.484 2.278 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001482128407 1183376575 /nfs/dbraw/zinc/37/65/75/1183376575.db2.gz CJTMFLAMIMRYRS-ZFWWWQNUSA-N 2 0 336.480 2.260 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)n1 ZINC001482172345 1183498435 /nfs/dbraw/zinc/49/84/35/1183498435.db2.gz SEBVJZKMMOALOH-MRXNPFEDSA-N 2 0 346.519 2.416 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268754168 1183670300 /nfs/dbraw/zinc/67/03/00/1183670300.db2.gz ZQWQHEKQPXOXKU-ZFWWWQNUSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268792932 1183708681 /nfs/dbraw/zinc/70/86/81/1183708681.db2.gz HNSWCLLYJXLKRV-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269025940 1183905700 /nfs/dbraw/zinc/90/57/00/1183905700.db2.gz LKCCILFEXRNHFK-LSDHHAIUSA-N 2 0 347.425 2.251 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269282106 1184135342 /nfs/dbraw/zinc/13/53/42/1184135342.db2.gz XQFKILURBPJKFL-IBGZPJMESA-N 2 0 347.503 2.321 10 0 EEAERP CN(C)c1cccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001482228790 1184351966 /nfs/dbraw/zinc/35/19/66/1184351966.db2.gz XGMFNYARONHLEP-UHFFFAOYSA-N 2 0 346.519 2.223 10 0 EEAERP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCCCOC)C2)C1)[NH+](C)C ZINC001269740591 1184574591 /nfs/dbraw/zinc/57/45/91/1184574591.db2.gz GPKYYRWMTILRFX-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001270823826 1185428891 /nfs/dbraw/zinc/42/88/91/1185428891.db2.gz QGJAYFJBJCOXFA-HNNXBMFYSA-N 2 0 336.307 2.475 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCCOC ZINC001691517983 1185628847 /nfs/dbraw/zinc/62/88/47/1185628847.db2.gz CGCDPYACIOKVSZ-RBUKOAKNSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001270923080 1185743388 /nfs/dbraw/zinc/74/33/88/1185743388.db2.gz YNPCIFMPYVDVDD-IEBWSBKVSA-N 2 0 347.503 2.213 10 0 EEAERP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482468100 1185971842 /nfs/dbraw/zinc/97/18/42/1185971842.db2.gz IWLOZIWQENBMQQ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001271550195 1186310466 /nfs/dbraw/zinc/31/04/66/1186310466.db2.gz NKRZLFWFUPXHDP-HOCLYGCPSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCc1ccccc1 ZINC001482495931 1186397999 /nfs/dbraw/zinc/39/79/99/1186397999.db2.gz TZLQCEHVZFBDGT-HKUYNNGSSA-N 2 0 331.504 2.398 10 0 EEAERP COCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001271883671 1186577893 /nfs/dbraw/zinc/57/78/93/1186577893.db2.gz CQVJIWOHJQEGBD-MSOLQXFVSA-N 2 0 339.524 2.160 10 0 EEAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001482551557 1186660916 /nfs/dbraw/zinc/66/09/16/1186660916.db2.gz RLEFWYZAMBPBPE-HOCLYGCPSA-N 2 0 345.478 2.494 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCCCF)CC1 ZINC001272748251 1193460152 /nfs/dbraw/zinc/46/01/52/1193460152.db2.gz NATLKKXBVMHFHE-BRWVUGGUSA-N 2 0 327.488 2.485 10 0 EEAERP COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483021418 1188009976 /nfs/dbraw/zinc/00/99/76/1188009976.db2.gz DOENLPXHGWGATF-DUMMIQTOSA-N 2 0 345.487 2.250 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21 ZINC001483026306 1188031523 /nfs/dbraw/zinc/03/15/23/1188031523.db2.gz ILMUVDNAIWKPSR-CQQBRXBZSA-N 2 0 327.472 2.420 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691556297 1188262218 /nfs/dbraw/zinc/26/22/18/1188262218.db2.gz SYLHWOQABJVSTK-WMZOPIPTSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483059487 1188352889 /nfs/dbraw/zinc/35/28/89/1188352889.db2.gz SMBLEWHSCVWGHI-DKRLNXSXSA-N 2 0 329.488 2.353 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001483081955 1188443463 /nfs/dbraw/zinc/44/34/63/1188443463.db2.gz HZMXWBSYGPYJFC-WRFKIARRSA-N 2 0 329.488 2.407 10 0 EEAERP CCc1cccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001483082251 1188445172 /nfs/dbraw/zinc/44/51/72/1188445172.db2.gz NDOOWICICWOWAH-HMECNJMJSA-N 2 0 329.488 2.353 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC001483094080 1188462171 /nfs/dbraw/zinc/46/21/71/1188462171.db2.gz XODJKPUZMNYPRA-YPHPSYCRSA-N 2 0 341.499 2.450 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCCOC2)c1 ZINC001483097670 1188472582 /nfs/dbraw/zinc/47/25/82/1188472582.db2.gz LAHPFRJQSYEGHB-JXCVUKRWSA-N 2 0 345.487 2.050 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001409296020 1188610633 /nfs/dbraw/zinc/61/06/33/1188610633.db2.gz IUBAWWGJQFFKSI-KVULBXGLSA-N 2 0 339.430 2.289 10 0 EEAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001409343424 1189550079 /nfs/dbraw/zinc/55/00/79/1189550079.db2.gz BWRTXCYLTPJGAO-HUUCEWRRSA-N 2 0 345.487 2.184 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001409348739 1189556319 /nfs/dbraw/zinc/55/63/19/1189556319.db2.gz FRCCTFHAIJWZGH-LSDHHAIUSA-N 2 0 349.523 2.240 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001409417407 1189650429 /nfs/dbraw/zinc/65/04/29/1189650429.db2.gz ILOWXCQSIJEDNV-SJORKVTESA-N 2 0 329.488 2.382 10 0 EEAERP CC(C)OCCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485891964 1193631844 /nfs/dbraw/zinc/63/18/44/1193631844.db2.gz LMNNQYYSUCIALW-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001485944035 1193654092 /nfs/dbraw/zinc/65/40/92/1193654092.db2.gz JPGRZRTWRIGGNL-CABCVRRESA-N 2 0 333.451 2.419 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CCOCC1 ZINC001409649720 1190143422 /nfs/dbraw/zinc/14/34/22/1190143422.db2.gz WZUVOZBZNKGYIQ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001409759339 1190248757 /nfs/dbraw/zinc/24/87/57/1190248757.db2.gz CDWLTGKYHAHHTJ-SFHVURJKSA-N 2 0 344.503 2.475 10 0 EEAERP Cc1cc(C)cc(OCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001483319646 1190346778 /nfs/dbraw/zinc/34/67/78/1190346778.db2.gz LHRNTWADIIMFHU-HKUYNNGSSA-N 2 0 347.503 2.213 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2cnccc2C)CC[N@@H+]1C ZINC001483339833 1190370025 /nfs/dbraw/zinc/37/00/25/1190370025.db2.gz MCWMCMGLZKMPIT-RYQLBKOJSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1ccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001483385427 1190434901 /nfs/dbraw/zinc/43/49/01/1190434901.db2.gz WIRDUYOMPZUWPK-QZTJIDSGSA-N 2 0 347.503 2.152 10 0 EEAERP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)COC1CC[NH+](C)CC1 ZINC001483405419 1190450279 /nfs/dbraw/zinc/45/02/79/1190450279.db2.gz YEKLFJKXTBWHRY-IRXDYDNUSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001483443788 1190482489 /nfs/dbraw/zinc/48/24/89/1190482489.db2.gz QLOOHKPHWPDAAC-ZWKOTPCHSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ncsc1C[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001483511433 1190525103 /nfs/dbraw/zinc/52/51/03/1190525103.db2.gz CIGWBWDNJCFFER-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001483563839 1190553716 /nfs/dbraw/zinc/55/37/16/1190553716.db2.gz LQIJRIQXZGKCPY-NIKGAXFTSA-N 2 0 347.478 2.459 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130369 1193689739 /nfs/dbraw/zinc/68/97/39/1193689739.db2.gz RBBZRZSHTHDLMW-SJORKVTESA-N 2 0 332.492 2.201 10 0 EEAERP CCCC[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001409818266 1190650536 /nfs/dbraw/zinc/65/05/36/1190650536.db2.gz KWMMTDJMTLYYAF-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483832294 1191069588 /nfs/dbraw/zinc/06/95/88/1191069588.db2.gz GLVSWQAGTHIPGT-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CCc3cccs3)C2)C1 ZINC001483849561 1191086134 /nfs/dbraw/zinc/08/61/34/1191086134.db2.gz XTKQHCYJMLTPDX-SFHVURJKSA-N 2 0 335.517 2.167 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001483916868 1191115511 /nfs/dbraw/zinc/11/55/11/1191115511.db2.gz RXWWIAYFHVLYHI-AEFFLSMTSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001483931897 1191122752 /nfs/dbraw/zinc/12/27/52/1191122752.db2.gz SLGLFZMYYAIKOJ-ZIAGYGMSSA-N 2 0 335.414 2.392 10 0 EEAERP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[C@H](C)n3ccnc3)C2)no1 ZINC001484113223 1191213841 /nfs/dbraw/zinc/21/38/41/1191213841.db2.gz DVSYSWNKVQKQED-KBXCAEBGSA-N 2 0 345.447 2.159 10 0 EEAERP CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484195844 1191268207 /nfs/dbraw/zinc/26/82/07/1191268207.db2.gz LKHIYRGKCKVDRA-OAHLLOKOSA-N 2 0 331.451 2.202 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001484381572 1191324229 /nfs/dbraw/zinc/32/42/29/1191324229.db2.gz RPJARGSVKFVFRP-ZBFHGGJFSA-N 2 0 348.491 2.078 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@@H](C)F)CC2 ZINC001484582100 1191426538 /nfs/dbraw/zinc/42/65/38/1191426538.db2.gz SRLREQQONLDURP-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC001484650397 1191455684 /nfs/dbraw/zinc/45/56/84/1191455684.db2.gz XUBMTQSKQGWWCD-UHFFFAOYSA-N 2 0 329.488 2.256 10 0 EEAERP CC(C)OCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484717389 1191481650 /nfs/dbraw/zinc/48/16/50/1191481650.db2.gz BIUIPTXIGXMVHZ-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CCC[N@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001484768291 1191522318 /nfs/dbraw/zinc/52/23/18/1191522318.db2.gz KFMOMNCUWHDPBU-HNNXBMFYSA-N 2 0 331.451 2.298 10 0 EEAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001485110333 1191657537 /nfs/dbraw/zinc/65/75/37/1191657537.db2.gz FIFKWXJCICRLSB-CTWPCTMYSA-N 2 0 344.503 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001485110583 1191657613 /nfs/dbraw/zinc/65/76/13/1191657613.db2.gz OINVCIIWIPPNMX-UHFFFAOYSA-N 2 0 343.515 2.500 10 0 EEAERP Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001485209985 1191694708 /nfs/dbraw/zinc/69/47/08/1191694708.db2.gz LUQHYFTYRLRENT-SJORKVTESA-N 2 0 347.503 2.089 10 0 EEAERP Cc1ncccc1C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485264703 1191710594 /nfs/dbraw/zinc/71/05/94/1191710594.db2.gz JJKGJBKQLRASOC-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001486165248 1193708713 /nfs/dbraw/zinc/70/87/13/1193708713.db2.gz GEWSVVZGEMNAKH-RCCFBDPRSA-N 2 0 333.520 2.489 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c1 ZINC001486180861 1193717826 /nfs/dbraw/zinc/71/78/26/1193717826.db2.gz QOAGIJXRIFUDHV-YJBOKZPZSA-N 2 0 333.476 2.116 10 0 EEAERP CCCC[N@@H+]1CCC[C@H](NC(=O)CCCCN2CCOCC2)[C@H]1C ZINC001486182778 1193719503 /nfs/dbraw/zinc/71/95/03/1193719503.db2.gz ZEYNPZNWCBITEH-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC001486239464 1193766141 /nfs/dbraw/zinc/76/61/41/1193766141.db2.gz BQACHTJCOFLHIR-QGZVFWFLSA-N 2 0 348.491 2.220 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccncc2Cl)C(C)(C)C1 ZINC001486240447 1193766605 /nfs/dbraw/zinc/76/66/05/1193766605.db2.gz MJMIVGYFTHAOOQ-OAHLLOKOSA-N 2 0 338.883 2.013 10 0 EEAERP COCc1cccc(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c1 ZINC001486240199 1193767192 /nfs/dbraw/zinc/76/71/92/1193767192.db2.gz JOJATNNRUQPCME-SFHVURJKSA-N 2 0 347.503 2.111 10 0 EEAERP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001486244074 1193770375 /nfs/dbraw/zinc/77/03/75/1193770375.db2.gz VYPIDSMAYKVIMH-MRXNPFEDSA-N 2 0 341.540 2.218 10 0 EEAERP Cc1cnc([C@H](C)N(C)CCN(C(=O)C[NH+]2CCCC2)C(C)C)cn1 ZINC001486379650 1193889747 /nfs/dbraw/zinc/88/97/47/1193889747.db2.gz MXGMGXCNJDNDEJ-KRWDZBQOSA-N 2 0 347.507 2.111 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001273052449 1194356522 /nfs/dbraw/zinc/35/65/22/1194356522.db2.gz LDTTZIJMGUOGLQ-GOEBONIOSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)co1 ZINC001273053700 1194358254 /nfs/dbraw/zinc/35/82/54/1194358254.db2.gz ZUIBWDRINPRCNP-GJZGRUSLSA-N 2 0 336.480 2.232 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]21 ZINC001410157739 1197574311 /nfs/dbraw/zinc/57/43/11/1197574311.db2.gz MIXYGHPMSXUKNF-LDLYASANSA-N 2 0 345.462 2.046 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001410173152 1197583093 /nfs/dbraw/zinc/58/30/93/1197583093.db2.gz BEBHOIHFAZQQKO-IPMKNSEASA-N 2 0 329.488 2.355 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001410218042 1197611218 /nfs/dbraw/zinc/61/12/18/1197611218.db2.gz BHNXAKURBYEKDM-ATNYBXOESA-N 2 0 345.478 2.431 10 0 EEAERP CC[C@@H](C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1)OC ZINC001410227094 1197617594 /nfs/dbraw/zinc/61/75/94/1197617594.db2.gz YRXMAQNDBMECML-XLAORIBOSA-N 2 0 339.524 2.159 10 0 EEAERP CCn1ccc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)n1 ZINC001410251350 1197634743 /nfs/dbraw/zinc/63/47/43/1197634743.db2.gz VMXMTWFOSQKCJJ-QZTJIDSGSA-N 2 0 349.523 2.008 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001410339767 1197728654 /nfs/dbraw/zinc/72/86/54/1197728654.db2.gz GSLLCOZOSBXXDM-RDJZCZTQSA-N 2 0 333.476 2.034 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccccc1Cl ZINC001410350336 1197740675 /nfs/dbraw/zinc/74/06/75/1197740675.db2.gz PULBLFGUPCIVIO-YOEHRIQHSA-N 2 0 337.895 2.413 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)[C@@H](C)C1 ZINC000872112967 1198047751 /nfs/dbraw/zinc/04/77/51/1198047751.db2.gz DYJICQLSOXJJIX-BBWFWOEESA-N 2 0 326.481 2.056 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001280620874 1198327694 /nfs/dbraw/zinc/32/76/94/1198327694.db2.gz OFCHVWANYUZFRY-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP COc1ccc2oc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)nc2c1 ZINC000866011004 1198453728 /nfs/dbraw/zinc/45/37/28/1198453728.db2.gz RUPDNQOWPXXMSS-ZIAGYGMSSA-N 2 0 332.448 2.012 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001410851466 1198502585 /nfs/dbraw/zinc/50/25/85/1198502585.db2.gz ICONEIYNOLUWNA-RDJZCZTQSA-N 2 0 349.523 2.074 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cnccc1C)CC2)[NH+](C)C ZINC001410917693 1198580673 /nfs/dbraw/zinc/58/06/73/1198580673.db2.gz WWAVTMDPPWFHFE-NSHGMRRFSA-N 2 0 344.503 2.343 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001410930220 1198595064 /nfs/dbraw/zinc/59/50/64/1198595064.db2.gz XBUILBJLXKOYRM-BBWFWOEESA-N 2 0 325.472 2.049 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C)c1 ZINC001411227255 1198937466 /nfs/dbraw/zinc/93/74/66/1198937466.db2.gz VSVOBCKTMCEGLH-WMZOPIPTSA-N 2 0 347.503 2.267 10 0 EEAERP Cc1ncccc1C[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001411251452 1198975130 /nfs/dbraw/zinc/97/51/30/1198975130.db2.gz JKPNFAPPFUOPMX-UHFFFAOYSA-N 2 0 344.503 2.203 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCC2(C)C)C[C@H]1C[NH+](C)C ZINC000875624996 1199321062 /nfs/dbraw/zinc/32/10/62/1199321062.db2.gz XLGGMVABMLIEHL-ZACQAIPSSA-N 2 0 338.540 2.194 10 0 EEAERP CCCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000878679878 1200616050 /nfs/dbraw/zinc/61/60/50/1200616050.db2.gz MQBIMKCIDLQOMS-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cccc(OC)c1 ZINC000870860374 1200917420 /nfs/dbraw/zinc/91/74/20/1200917420.db2.gz LBILGNJHKZPDGH-HNAWSFBYSA-N 2 0 345.487 2.322 10 0 EEAERP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2)CC1 ZINC000870911137 1200947034 /nfs/dbraw/zinc/94/70/34/1200947034.db2.gz FRZOQWDUYFPOEZ-GUXCAODWSA-N 2 0 342.487 2.283 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)n1 ZINC000870973630 1200983727 /nfs/dbraw/zinc/98/37/27/1200983727.db2.gz CUIGFCYTDBRLTK-FAAHXZRKSA-N 2 0 336.867 2.080 10 0 EEAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC(=O)N1CCCC1)C2 ZINC000880022023 1201350706 /nfs/dbraw/zinc/35/07/06/1201350706.db2.gz KHPHESCNVMBWOP-PZJWPPBQSA-N 2 0 341.499 2.453 10 0 EEAERP CC(=O)c1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866040658 1201411973 /nfs/dbraw/zinc/41/19/73/1201411973.db2.gz DERMLHDBIVEUMU-IAGOWNOFSA-N 2 0 346.475 2.092 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697295 1201582863 /nfs/dbraw/zinc/58/28/63/1201582863.db2.gz MIUGBKSEKNOMDJ-AABGKKOBSA-N 2 0 332.488 2.341 10 0 EEAERP Cc1cnc([C@H](C)NC/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001274025300 1204331154 /nfs/dbraw/zinc/33/11/54/1204331154.db2.gz KIRZLUFLZRKZBM-LGZALOBFSA-N 2 0 334.464 2.179 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCc1ccccc1 ZINC001274280186 1204984246 /nfs/dbraw/zinc/98/42/46/1204984246.db2.gz KSNOCPCESLDIHS-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001274498038 1205057782 /nfs/dbraw/zinc/05/77/82/1205057782.db2.gz CTJYPVMQDPOSQH-WOMSROEHSA-N 2 0 335.879 2.444 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274577590 1205085385 /nfs/dbraw/zinc/08/53/85/1205085385.db2.gz BDVSMTQXQCXMDS-UPHRSURJSA-N 2 0 327.472 2.033 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001275122019 1205262763 /nfs/dbraw/zinc/26/27/63/1205262763.db2.gz VAIFUKIIPGTRPB-KRWDZBQOSA-N 2 0 344.459 2.216 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275446057 1205364265 /nfs/dbraw/zinc/36/42/65/1205364265.db2.gz XLFCGXBCGTUXDB-XJNRFOTBSA-N 2 0 335.879 2.399 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCCC(F)(F)F ZINC001275835079 1205556851 /nfs/dbraw/zinc/55/68/51/1205556851.db2.gz KPTKOKYMONFFRD-MGPQQGTHSA-N 2 0 337.430 2.496 10 0 EEAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001411892084 1205583056 /nfs/dbraw/zinc/58/30/56/1205583056.db2.gz VZVKSTHTXDJAGM-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CC[C@H](F)C3)C2)cc1 ZINC001412481315 1205736287 /nfs/dbraw/zinc/73/62/87/1205736287.db2.gz UXGUAGCNTZQHDZ-ROUUACIJSA-N 2 0 333.451 2.119 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001276051721 1205753104 /nfs/dbraw/zinc/75/31/04/1205753104.db2.gz BCEGDGWRWABCBU-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925521868 1206122426 /nfs/dbraw/zinc/12/24/26/1206122426.db2.gz KQKJCGSLWXMLQK-NEWSRXKRSA-N 2 0 328.504 2.057 10 0 EEAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551060 1206126454 /nfs/dbraw/zinc/12/64/54/1206126454.db2.gz DYULUGLTTRVOHO-HKUYMTLNSA-N 2 0 341.499 2.339 10 0 EEAERP O=C1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CN1Cc1ccccc1 ZINC000925630321 1206137833 /nfs/dbraw/zinc/13/78/33/1206137833.db2.gz RBPNKTGSUFUONX-ZWKOTPCHSA-N 2 0 327.472 2.299 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000925809869 1206156573 /nfs/dbraw/zinc/15/65/73/1206156573.db2.gz BHTXMJPRNOEUFX-IBGZPJMESA-N 2 0 328.435 2.323 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1nc2ccc(Cl)cc2n1C ZINC000925814444 1206156795 /nfs/dbraw/zinc/15/67/95/1206156795.db2.gz JMGIAYBBUDRJJI-GFCCVEGCSA-N 2 0 335.883 2.300 10 0 EEAERP CCCN(C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CC[N@H+](C)C1 ZINC000925915420 1206167581 /nfs/dbraw/zinc/16/75/81/1206167581.db2.gz LYASJXJBOVFCQU-ROUUACIJSA-N 2 0 347.507 2.200 10 0 EEAERP CC1(C)CN(C(=O)Nc2nc(CN3CCCCC3)cs2)C[C@H]1[NH3+] ZINC000925915789 1206167617 /nfs/dbraw/zinc/16/76/17/1206167617.db2.gz OIXPYTBHAUWMJO-CYBMUJFWSA-N 2 0 337.493 2.330 10 0 EEAERP CCN(C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CC[N@H+](CC)C1 ZINC000925919577 1206168305 /nfs/dbraw/zinc/16/83/05/1206168305.db2.gz HEKRHZBCWJUMOE-ROUUACIJSA-N 2 0 347.507 2.200 10 0 EEAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccnnc1 ZINC000926126857 1206195923 /nfs/dbraw/zinc/19/59/23/1206195923.db2.gz SAHCXMOXXMUIAP-KXBFYZLASA-N 2 0 326.444 2.284 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926157580 1206199604 /nfs/dbraw/zinc/19/96/04/1206199604.db2.gz YNIFSBCZMLKIIJ-IRXDYDNUSA-N 2 0 348.516 2.497 10 0 EEAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCOC23CCOCC3)[C@H](c2ccccc2)C1 ZINC000926634656 1206233427 /nfs/dbraw/zinc/23/34/27/1206233427.db2.gz HEOMROFPWIHPNL-QYZOEREBSA-N 2 0 330.472 2.260 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH+](C)CC1 ZINC000930113391 1206535468 /nfs/dbraw/zinc/53/54/68/1206535468.db2.gz LOBCXQWRAATZEF-CABCVRRESA-N 2 0 337.430 2.054 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000930435228 1206557553 /nfs/dbraw/zinc/55/75/53/1206557553.db2.gz FNKMYXONYQXYQU-KRWDZBQOSA-N 2 0 346.475 2.377 10 0 EEAERP CCOCCOCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931613308 1207425817 /nfs/dbraw/zinc/42/58/17/1207425817.db2.gz OQGVYXRKZVTGMM-UXHICEINSA-N 2 0 332.488 2.493 10 0 EEAERP COc1c[nH+]ccc1N1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000795986688 1215236641 /nfs/dbraw/zinc/23/66/41/1215236641.db2.gz ANLKUPGKOBVKIZ-UHFFFAOYSA-N 2 0 347.459 2.146 10 0 EEAERP Cc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+]2CCCC2)cc1 ZINC000900435378 1234352943 /nfs/dbraw/zinc/35/29/43/1234352943.db2.gz MINMDZITCBRZCT-SFHVURJKSA-N 2 0 327.472 2.344 10 0 EEAERP CC(C)C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCOCC1 ZINC000902740542 1238366218 /nfs/dbraw/zinc/36/62/18/1238366218.db2.gz WNVZJZXQPAANFB-LJQANCHMSA-N 2 0 325.541 2.443 10 0 EEAERP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902920794 1239096347 /nfs/dbraw/zinc/09/63/47/1239096347.db2.gz KBRAKERQBXSZEY-GGPKGHCWSA-N 2 0 343.515 2.444 10 0 EEAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000903442197 1240485259 /nfs/dbraw/zinc/48/52/59/1240485259.db2.gz JTLQXJFUUGLPQN-UONOGXRCSA-N 2 0 347.488 2.043 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1ncc(C(C)(C)C)o1)C2 ZINC000903493259 1240661512 /nfs/dbraw/zinc/66/15/12/1240661512.db2.gz QZSBTNNVKMGVKJ-WLHTULFXSA-N 2 0 335.448 2.245 10 0 EEAERP C(CC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C[NH+]1CCOCC1 ZINC000903902463 1242407230 /nfs/dbraw/zinc/40/72/30/1242407230.db2.gz GYNJOANNSTYDBD-IHWFROFDSA-N 3 0 335.536 2.341 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001490947896 1258501454 /nfs/dbraw/zinc/50/14/54/1258501454.db2.gz CFFQXJLSSRAOMG-ZHALLVOQSA-N 2 0 347.503 2.197 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001491150953 1258730038 /nfs/dbraw/zinc/73/00/38/1258730038.db2.gz AWHFHNLFBDXQGQ-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001491159901 1258736275 /nfs/dbraw/zinc/73/62/75/1258736275.db2.gz FGGDAAPCSNNTCA-RTBURBONSA-N 2 0 331.504 2.398 10 0 EEAERP CC(C)OCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001491253000 1258847819 /nfs/dbraw/zinc/84/78/19/1258847819.db2.gz HLLOTITWMBAZEE-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001491454989 1259097984 /nfs/dbraw/zinc/09/79/84/1259097984.db2.gz NIXOZZKMKRLSKZ-QFBILLFUSA-N 2 0 346.519 2.220 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001490165705 1290992252 /nfs/dbraw/zinc/99/22/52/1290992252.db2.gz WOTJUMPOVBIDSM-YJBOKZPZSA-N 2 0 333.476 2.289 10 0 EEAERP CN(C(=O)C1([NH2+]C2CC2)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865604 1292220214 /nfs/dbraw/zinc/22/02/14/1292220214.db2.gz JNSGYGMEXUPUCZ-UHFFFAOYSA-N 2 0 331.460 2.265 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)OC(C)C)C2)ccn1 ZINC000856589706 1293574407 /nfs/dbraw/zinc/57/44/07/1293574407.db2.gz LTHXVCCLXUDDCO-SFHVURJKSA-N 2 0 349.475 2.328 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856605437 1293579391 /nfs/dbraw/zinc/57/93/91/1293579391.db2.gz WXKZWDQQVPRWPN-ZWKOTPCHSA-N 2 0 347.459 2.081 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858500305 1294135487 /nfs/dbraw/zinc/13/54/87/1294135487.db2.gz AFRDFFODTHGXSG-HOTGVXAUSA-N 2 0 343.512 2.190 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC000859622962 1294554255 /nfs/dbraw/zinc/55/42/55/1294554255.db2.gz QDVDVTHNYMUZCY-NVXWUHKLSA-N 2 0 345.491 2.091 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001277186590 1301720862 /nfs/dbraw/zinc/72/08/62/1301720862.db2.gz IICXMZFNJHINRE-FUHWJXTLSA-N 2 0 339.524 2.160 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001277864753 1304964398 /nfs/dbraw/zinc/96/43/98/1304964398.db2.gz AUEGUMIDQSIQPW-ZWKOTPCHSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCC[NH3+])c2)[C@H](C)C1 ZINC000841284124 1315521034 /nfs/dbraw/zinc/52/10/34/1315521034.db2.gz DGWSKZVUTBKHNS-PBHICJAKSA-N 2 0 334.464 2.218 10 0 EEAERP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866679 1315626253 /nfs/dbraw/zinc/62/62/53/1315626253.db2.gz GIMSPSPJUAYERV-OPQOLIRYSA-N 2 0 330.476 2.343 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001278573392 1317261962 /nfs/dbraw/zinc/26/19/62/1317261962.db2.gz WDOYBXGQLNRMCO-DZGCQCFKSA-N 2 0 337.430 2.353 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001278585782 1317280184 /nfs/dbraw/zinc/28/01/84/1317280184.db2.gz OCCLZJNJRCQEKE-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278673923 1317645684 /nfs/dbraw/zinc/64/56/84/1317645684.db2.gz WPMUQIHPPCPMKK-MJGOQNOKSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001278705638 1317804052 /nfs/dbraw/zinc/80/40/52/1317804052.db2.gz XSIWWVHXZFIJPL-LSDHHAIUSA-N 2 0 349.441 2.355 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001278711662 1317824385 /nfs/dbraw/zinc/82/43/85/1317824385.db2.gz XXYBGLZOUIHKAO-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP COc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)ccc1C ZINC001264970309 1322821277 /nfs/dbraw/zinc/82/12/77/1322821277.db2.gz CWIUBHOITKEZND-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001265091477 1322916060 /nfs/dbraw/zinc/91/60/60/1322916060.db2.gz GZIVOBJFPOOAIG-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC[C@H]1CCCO1 ZINC001265129255 1322936398 /nfs/dbraw/zinc/93/63/98/1322936398.db2.gz DTFCTFWTFSOVLB-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001265566204 1323222237 /nfs/dbraw/zinc/22/22/37/1323222237.db2.gz CFFQXJLSSRAOMG-ZIFCJYIRSA-N 2 0 347.503 2.197 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001265609683 1323263777 /nfs/dbraw/zinc/26/37/77/1323263777.db2.gz VGSLBQYIMZEEDN-JFIYKMOQSA-N 2 0 349.544 2.459 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001265621246 1323273384 /nfs/dbraw/zinc/27/33/84/1323273384.db2.gz FXAYNPUQDRPEOS-UKBPFDPYSA-N 2 0 327.900 2.297 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001265633086 1323282090 /nfs/dbraw/zinc/28/20/90/1323282090.db2.gz NTDPOSWGWSMSMK-KRWDZBQOSA-N 2 0 332.492 2.142 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCOc1ccccc1)[NH+](C)C ZINC001265673387 1323312956 /nfs/dbraw/zinc/31/29/56/1323312956.db2.gz DXYOEYHGTQJUKG-PKOBYXMFSA-N 2 0 347.503 2.376 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265673800 1323313583 /nfs/dbraw/zinc/31/35/83/1323313583.db2.gz MFSAMGPMSWRMDN-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001265682080 1323317108 /nfs/dbraw/zinc/31/71/08/1323317108.db2.gz KPMLPDKPHQIURL-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001265818838 1323398377 /nfs/dbraw/zinc/39/83/77/1323398377.db2.gz SVQGCZOGDYSVMK-AAEUAGOBSA-N 2 0 336.307 2.006 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOc2c(C)cccc2C)C1)[NH+](C)C ZINC001265940065 1323503684 /nfs/dbraw/zinc/50/36/84/1323503684.db2.gz JJVPBZNEPSOXFB-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP Cc1c(C(=O)N2CC[C@@H](C[NH2+]CC[C@@H](C)F)C2)ccc2c[nH+]cn21 ZINC001265990583 1323549220 /nfs/dbraw/zinc/54/92/20/1323549220.db2.gz RNAIUPDLNIZMAD-HIFRSBDPSA-N 2 0 332.423 2.443 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001266012431 1323564065 /nfs/dbraw/zinc/56/40/65/1323564065.db2.gz CSVDWKWQXGPCHA-HNNXBMFYSA-N 2 0 337.895 2.272 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001266036641 1323587568 /nfs/dbraw/zinc/58/75/68/1323587568.db2.gz ATCXXCNHEUKSLV-IAGOWNOFSA-N 2 0 335.517 2.071 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)C1 ZINC001266110716 1323676984 /nfs/dbraw/zinc/67/69/84/1323676984.db2.gz NRNBIPIMZXABNP-OAHLLOKOSA-N 2 0 338.883 2.110 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](CCC(F)(F)F)C2CC2)C1 ZINC001266159194 1323729062 /nfs/dbraw/zinc/72/90/62/1323729062.db2.gz ICYCYSRPKCUUQJ-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001279564687 1323937977 /nfs/dbraw/zinc/93/79/77/1323937977.db2.gz FYMUVFIDDNUYMJ-QZTJIDSGSA-N 2 0 349.519 2.107 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCc2cccs2)C2CC2)C1 ZINC001276655431 1324981648 /nfs/dbraw/zinc/98/16/48/1324981648.db2.gz CERATHMITSWXKB-RHSMWYFYSA-N 2 0 335.517 2.117 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001283078900 1325911648 /nfs/dbraw/zinc/91/16/48/1325911648.db2.gz VPAWLVVJUJTYFM-KBUPBQIOSA-N 2 0 347.425 2.440 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccns1 ZINC001283174753 1325944717 /nfs/dbraw/zinc/94/47/17/1325944717.db2.gz ZGZFVAIDLQWRCO-GOEBONIOSA-N 2 0 338.521 2.390 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOc2ccc(C)cc2)C[C@@H]1C ZINC001284019423 1326365426 /nfs/dbraw/zinc/36/54/26/1326365426.db2.gz YVVUUQWXUIQVDE-ROUUACIJSA-N 2 0 347.503 2.295 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCOC2CCC2)C(C)(C)C)CC1 ZINC001284623625 1326636015 /nfs/dbraw/zinc/63/60/15/1326636015.db2.gz AMNHBULBOVPUJL-QGZVFWFLSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001491579464 1330172105 /nfs/dbraw/zinc/17/21/05/1330172105.db2.gz LJOHZCWLZVTWOT-ZWKOTPCHSA-N 2 0 331.504 2.364 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC[C@H]2CCCCO2)C1 ZINC001491956317 1330349383 /nfs/dbraw/zinc/34/93/83/1330349383.db2.gz LGEBUMDKXNKJOO-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001492023654 1330450152 /nfs/dbraw/zinc/45/01/52/1330450152.db2.gz CMZKMRQKLONXCO-CJNGLKHVSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001492128434 1330981442 /nfs/dbraw/zinc/98/14/42/1330981442.db2.gz UDQSKARLCQBYHK-MRXNPFEDSA-N 2 0 329.488 2.256 10 0 EEAERP Cc1cncc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CC[NH+](C)C)c1 ZINC001492165612 1331030929 /nfs/dbraw/zinc/03/09/29/1331030929.db2.gz YJULROGFMDITQQ-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC001492178769 1331057625 /nfs/dbraw/zinc/05/76/25/1331057625.db2.gz RCBIVZOMCCYCKR-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCCc1cccc(F)c1 ZINC001316860375 1331643645 /nfs/dbraw/zinc/64/36/45/1331643645.db2.gz XDNQFXQTEKNVAA-UHFFFAOYSA-N 2 0 347.478 2.292 10 0 EEAERP CN(CCOCC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001316763277 1331816245 /nfs/dbraw/zinc/81/62/45/1331816245.db2.gz BZIWETXHWBYSPS-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001316824725 1331915769 /nfs/dbraw/zinc/91/57/69/1331915769.db2.gz XLLXZAKIULFCDD-OXQOHEQNSA-N 2 0 343.515 2.454 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](Cc2ccc(F)cn2)C2CC2)C1 ZINC001316922658 1331989529 /nfs/dbraw/zinc/98/95/29/1331989529.db2.gz CWGXKBHMGUDTFF-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP COCCC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001316937115 1332001670 /nfs/dbraw/zinc/00/16/70/1332001670.db2.gz JKYPYHXKIIAOQJ-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001316949453 1332010542 /nfs/dbraw/zinc/01/05/42/1332010542.db2.gz RVEYSUUQIKFLBM-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCc1ccccc1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001317187340 1332121464 /nfs/dbraw/zinc/12/14/64/1332121464.db2.gz AMLBDDKPLGZKAY-KRWDZBQOSA-N 2 0 335.467 2.345 10 0 EEAERP CC(C)OCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317189041 1332122429 /nfs/dbraw/zinc/12/24/29/1332122429.db2.gz NVJIPCWFZOZWGT-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCCCF)C2)CC1 ZINC001317354365 1332191885 /nfs/dbraw/zinc/19/18/85/1332191885.db2.gz IGYYLLGQWCXRHX-IAGOWNOFSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ccccc1OCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001317587283 1332310532 /nfs/dbraw/zinc/31/05/32/1332310532.db2.gz XLISVLWENMNPRG-GOSISDBHSA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CC[NH2+]Cc3ccccn3)C2)C1 ZINC001318831830 1332607060 /nfs/dbraw/zinc/60/70/60/1332607060.db2.gz YCDBFHISPYYPNI-ZWKOTPCHSA-N 2 0 344.503 2.142 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319188368 1332662601 /nfs/dbraw/zinc/66/26/01/1332662601.db2.gz DXFXHSIWCNIDMM-MBOZVWFJSA-N 2 0 345.531 2.474 10 0 EEAERP COCC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001319619950 1332729528 /nfs/dbraw/zinc/72/95/28/1332729528.db2.gz LVXAQXWGLWDTTF-HNNXBMFYSA-N 2 0 332.448 2.023 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1 ZINC001319789098 1332768417 /nfs/dbraw/zinc/76/84/17/1332768417.db2.gz XCHDMJOMQPITGV-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322567572 1333284703 /nfs/dbraw/zinc/28/47/03/1333284703.db2.gz ZLVVCBJZVQGASF-QZTJIDSGSA-N 2 0 330.476 2.037 10 0 EEAERP COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001322647859 1333300711 /nfs/dbraw/zinc/30/07/11/1333300711.db2.gz HUVQOOQVVLXEGH-MAUKXSAKSA-N 2 0 333.476 2.289 10 0 EEAERP CN(CCC[NH2+]C/C(Cl)=C/Cl)C(=O)CC1CC[NH+](C)CC1 ZINC001322723139 1333314363 /nfs/dbraw/zinc/31/43/63/1333314363.db2.gz IGPXXGWWJIPJQU-KAMYIIQDSA-N 2 0 336.307 2.475 10 0 EEAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC ZINC001323141271 1333394930 /nfs/dbraw/zinc/39/49/30/1333394930.db2.gz ASUBCYXLCQOXNG-IAGOWNOFSA-N 2 0 349.523 2.075 10 0 EEAERP CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1[NH2+]CCCF ZINC001323151716 1333398079 /nfs/dbraw/zinc/39/80/79/1333398079.db2.gz TTXHFSGUUIHTDD-SJORKVTESA-N 2 0 339.499 2.439 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001324252526 1333643465 /nfs/dbraw/zinc/64/34/65/1333643465.db2.gz SQEZXPAFZVENCM-KRWDZBQOSA-N 2 0 335.467 2.291 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001324772974 1333756885 /nfs/dbraw/zinc/75/68/85/1333756885.db2.gz WDPIDJWDUPIUQK-DOMZBBRYSA-N 2 0 334.291 2.228 10 0 EEAERP Cc1cnc(C[NH2+]C[C@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001324818180 1333766588 /nfs/dbraw/zinc/76/65/88/1333766588.db2.gz SGYBEKAMLCPZHA-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C[NH2+]CCCF ZINC001325598307 1333920649 /nfs/dbraw/zinc/92/06/49/1333920649.db2.gz JFKHGPUUGUDIRL-YJBOKZPZSA-N 2 0 335.467 2.406 10 0 EEAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001327148783 1334234855 /nfs/dbraw/zinc/23/48/55/1334234855.db2.gz VLWZYXAVROQMBZ-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001327903955 1334362005 /nfs/dbraw/zinc/36/20/05/1334362005.db2.gz NUYPUWZBJOZKPB-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001327903957 1334362313 /nfs/dbraw/zinc/36/23/13/1334362313.db2.gz NUYPUWZBJOZKPB-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP COCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001330055569 1334770911 /nfs/dbraw/zinc/77/09/11/1334770911.db2.gz VAGZQBTVLNGPFX-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1ccnn1C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001330812196 1334907408 /nfs/dbraw/zinc/90/74/08/1334907408.db2.gz NESAPYWGQYVVIN-INIZCTEOSA-N 2 0 349.523 2.059 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001330908665 1334924787 /nfs/dbraw/zinc/92/47/87/1334924787.db2.gz AZFIPYDCMZOTJP-INIZCTEOSA-N 2 0 347.503 2.412 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nccs1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330946873 1334932726 /nfs/dbraw/zinc/93/27/26/1334932726.db2.gz NVKRVLNDDHTCIH-OAHLLOKOSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccns1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330948574 1334933065 /nfs/dbraw/zinc/93/30/65/1334933065.db2.gz SSIGFAUIDDYWAO-OAHLLOKOSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330976522 1334939634 /nfs/dbraw/zinc/93/96/34/1334939634.db2.gz JLFYZVHTGRVOGE-DZGCQCFKSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332030056 1335709536 /nfs/dbraw/zinc/70/95/36/1335709536.db2.gz SGBVMUBWYWUBSP-MJGOQNOKSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001332049913 1335714184 /nfs/dbraw/zinc/71/41/84/1335714184.db2.gz OAKLINYXHNECIE-WMLDXEAASA-N 2 0 325.472 2.047 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+](C)C)CC2(C)C)c1 ZINC001332436507 1335823910 /nfs/dbraw/zinc/82/39/10/1335823910.db2.gz FBFROYQNMOCYMO-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000849094617 1338838039 /nfs/dbraw/zinc/83/80/39/1338838039.db2.gz DKZWTWMLNQGBNZ-FUHWJXTLSA-N 2 0 332.492 2.185 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC001434243575 1341804092 /nfs/dbraw/zinc/80/40/92/1341804092.db2.gz LMZMOWGDLVYGRP-DFQSSKMNSA-N 2 0 329.488 2.480 10 0 EEAERP CC(C)[C@H](O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001434469263 1341851565 /nfs/dbraw/zinc/85/15/65/1341851565.db2.gz KRHMDQVGGDATDD-HXUWFJFHSA-N 2 0 333.520 2.143 10 0 EEAERP C[C@@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001669909057 1356236996 /nfs/dbraw/zinc/23/69/96/1356236996.db2.gz CLAAGOCQYVEPRO-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001670222841 1356298415 /nfs/dbraw/zinc/29/84/15/1356298415.db2.gz BVUSOAGYIQJTMF-ZFWWWQNUSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccon2)C1)[NH+]1CCCCCC1 ZINC001500381599 1342183949 /nfs/dbraw/zinc/18/39/49/1342183949.db2.gz BBORYUSAPQUVEZ-QFBILLFUSA-N 2 0 348.491 2.267 10 0 EEAERP CCC1([NH2+]Cc2cncc(C)c2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502516061 1342201609 /nfs/dbraw/zinc/20/16/09/1342201609.db2.gz YMVXTMMGMVPBSW-GOSISDBHSA-N 2 0 344.503 2.203 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCc2ccccc2)C1 ZINC001506678683 1342311146 /nfs/dbraw/zinc/31/11/46/1342311146.db2.gz VVONNOZKKKRCOW-QGZVFWFLSA-N 2 0 329.488 2.152 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001566613574 1342580347 /nfs/dbraw/zinc/58/03/47/1342580347.db2.gz IVQBJPLVVHORBW-GOSISDBHSA-N 2 0 339.524 2.210 10 0 EEAERP CCN(CC[NH2+]Cc1nc2cc(C)ccc2s1)C(=O)CC[NH+](C)C ZINC001568772277 1342852079 /nfs/dbraw/zinc/85/20/79/1342852079.db2.gz ODOSPEPAZHWTEL-UHFFFAOYSA-N 2 0 348.516 2.495 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001569520989 1342891737 /nfs/dbraw/zinc/89/17/37/1342891737.db2.gz FAEPBDFVKDCOHJ-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCCF)C3)CC1 ZINC001569798547 1342946417 /nfs/dbraw/zinc/94/64/17/1342946417.db2.gz JNCPENVEDOVWDW-SZMVWBNQSA-N 2 0 339.499 2.437 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC001569916291 1342976583 /nfs/dbraw/zinc/97/65/83/1342976583.db2.gz YJZHORNLYQOXOQ-RBUKOAKNSA-N 2 0 344.503 2.379 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001570547659 1343081639 /nfs/dbraw/zinc/08/16/39/1343081639.db2.gz GTWVMKNOZYFWHB-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)[C@H](C[NH2+]CCC(F)(F)F)C2CC2)CC1 ZINC001676261948 1357127753 /nfs/dbraw/zinc/12/77/53/1357127753.db2.gz GSVLJSHMCBBZDN-OAHLLOKOSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](O)CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001677272432 1357305624 /nfs/dbraw/zinc/30/56/24/1357305624.db2.gz RBTGYXUZIICVAV-JKSUJKDBSA-N 2 0 341.540 2.142 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)[NH+](C)C ZINC001677296611 1357309167 /nfs/dbraw/zinc/30/91/67/1357309167.db2.gz AZFYOJHVOBODEP-RYUDHWBXSA-N 2 0 325.419 2.400 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001677624815 1357376301 /nfs/dbraw/zinc/37/63/01/1357376301.db2.gz VKXIXRKNJYWZLW-GOSISDBHSA-N 2 0 333.451 2.414 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1F ZINC001649440079 1353506022 /nfs/dbraw/zinc/50/60/22/1353506022.db2.gz JDYZQDUBUQIVRZ-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001649441330 1353506654 /nfs/dbraw/zinc/50/66/54/1353506654.db2.gz WEPIKODHNYVLSA-QGZVFWFLSA-N 2 0 331.504 2.181 10 0 EEAERP COc1ccc(C[C@@H](C)[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC001650014811 1353688321 /nfs/dbraw/zinc/68/83/21/1353688321.db2.gz JIISYJGJONUFPP-WBVHZDCISA-N 2 0 343.475 2.274 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC3CCC(C)([NH+]4CCC4)CC3)[C@H]2C1 ZINC001650546708 1353984245 /nfs/dbraw/zinc/98/42/45/1353984245.db2.gz CHSXOCMWMFIWJZ-UEMOBTBKSA-N 2 0 334.508 2.033 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC001650608221 1354020248 /nfs/dbraw/zinc/02/02/48/1354020248.db2.gz YKHCZLQULQAILO-IPMKNSEASA-N 2 0 327.472 2.352 10 0 EEAERP c1cc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001658105375 1354353761 /nfs/dbraw/zinc/35/37/61/1354353761.db2.gz SSYSPZCFPLRXRP-SFHVURJKSA-N 2 0 345.410 2.307 10 0 EEAERP CC(C)OC(=O)C[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC001659198448 1354376878 /nfs/dbraw/zinc/37/68/78/1354376878.db2.gz WDMDPNNAJSIRFP-SFHVURJKSA-N 2 0 341.540 2.358 10 0 EEAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001660277583 1354429569 /nfs/dbraw/zinc/42/95/69/1354429569.db2.gz IBNJMBWBSHORFF-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccnc1C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660278317 1354429587 /nfs/dbraw/zinc/42/95/87/1354429587.db2.gz WTRWXFXKRVIXLU-IRXDYDNUSA-N 2 0 332.492 2.058 10 0 EEAERP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)Cc1c[nH]cn1 ZINC001660314052 1354438255 /nfs/dbraw/zinc/43/82/55/1354438255.db2.gz ZVMPBDOFXOUEFZ-LBPRGKRZSA-N 2 0 336.386 2.430 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(Cc1ccon1)C1CC1 ZINC001660680814 1354515751 /nfs/dbraw/zinc/51/57/51/1354515751.db2.gz VFDLSVUEXZWKLA-KRWDZBQOSA-N 2 0 334.464 2.018 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001660845443 1354550112 /nfs/dbraw/zinc/55/01/12/1354550112.db2.gz XTGQFGJSKPUYMG-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001661609745 1354664506 /nfs/dbraw/zinc/66/45/06/1354664506.db2.gz AYLIUZSKVKAVOT-FGTMMUONSA-N 2 0 345.487 2.177 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC001661644486 1354668373 /nfs/dbraw/zinc/66/83/73/1354668373.db2.gz QMMZGQGZUZZLKU-UPJWGTAASA-N 2 0 348.318 2.149 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001661842609 1354707702 /nfs/dbraw/zinc/70/77/02/1354707702.db2.gz QOPIFJQEZHJDSB-IRXDYDNUSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001662649104 1354819582 /nfs/dbraw/zinc/81/95/82/1354819582.db2.gz FJXWDVACGXCEAO-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001663124062 1354924264 /nfs/dbraw/zinc/92/42/64/1354924264.db2.gz QBDOFDJHBQOGTC-APWZRJJASA-N 2 0 347.503 2.103 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663493085 1354971330 /nfs/dbraw/zinc/97/13/30/1354971330.db2.gz LLRSYRCXRGGIQB-ROUUACIJSA-N 2 0 339.524 2.255 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)C1([NH+](C)C)CCC1 ZINC001663981659 1355066720 /nfs/dbraw/zinc/06/67/20/1355066720.db2.gz OSSKZDBSQPNTSG-UHFFFAOYSA-N 2 0 329.444 2.465 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664009452 1355072939 /nfs/dbraw/zinc/07/29/39/1355072939.db2.gz YGWBVYGKZFVGRF-SJLPKXTDSA-N 2 0 333.451 2.391 10 0 EEAERP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001664044167 1355080896 /nfs/dbraw/zinc/08/08/96/1355080896.db2.gz QVAJSYPNKZGXAG-BJMVGYQFSA-N 2 0 327.472 2.376 10 0 EEAERP CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664241050 1355120334 /nfs/dbraw/zinc/12/03/34/1355120334.db2.gz PAVDNCZVZKWWTQ-MJGOQNOKSA-N 2 0 345.487 2.130 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001665956300 1355415516 /nfs/dbraw/zinc/41/55/16/1355415516.db2.gz KFWOGTPXASSXNW-UHFFFAOYSA-N 2 0 339.524 2.162 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001667306314 1355704535 /nfs/dbraw/zinc/70/45/35/1355704535.db2.gz CLQDIKWHQZQFHP-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP COc1ccc(CC[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001668197490 1355897339 /nfs/dbraw/zinc/89/73/39/1355897339.db2.gz OUEKVAJKDFDGEQ-MRXNPFEDSA-N 2 0 347.503 2.064 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)oc1C ZINC001668234389 1355905001 /nfs/dbraw/zinc/90/50/01/1355905001.db2.gz JJYDLLMHAICMNA-CYBMUJFWSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@@H](CC[NH2+]Cc1coc(C2CC2)n1)NC(=O)CC1CC[NH+](C)CC1 ZINC001668234751 1355905576 /nfs/dbraw/zinc/90/55/76/1355905576.db2.gz PKAUIQRRBAVGLL-AWEZNQCLSA-N 2 0 348.491 2.268 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1c(C)nsc1C)[NH+](C)C ZINC001668619293 1355973197 /nfs/dbraw/zinc/97/31/97/1355973197.db2.gz JFFZJURUMSDMPG-OAHLLOKOSA-N 2 0 326.510 2.038 10 0 EEAERP C[N@H+](CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21)C1CCC1 ZINC001668865539 1356028316 /nfs/dbraw/zinc/02/83/16/1356028316.db2.gz ZMUDOHYUQVIZDC-VZSQWMKGSA-N 2 0 327.472 2.420 10 0 EEAERP C[N@H+](CC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21)C1CCC1 ZINC001668865537 1356028684 /nfs/dbraw/zinc/02/86/84/1356028684.db2.gz ZMUDOHYUQVIZDC-PHWHVTFISA-N 2 0 327.472 2.420 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001668977207 1356058869 /nfs/dbraw/zinc/05/88/69/1356058869.db2.gz DWUQEVWSBZNFKM-PYTPGESOSA-N 2 0 345.487 2.038 10 0 EEAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001669131722 1356102469 /nfs/dbraw/zinc/10/24/69/1356102469.db2.gz KNIXMVOENUTTCT-NSCUHMNNSA-N 2 0 333.520 2.417 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001669201132 1356123208 /nfs/dbraw/zinc/12/32/08/1356123208.db2.gz MNVWTJMQARIGTL-QHHIFSJYSA-N 2 0 329.488 2.364 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001669564194 1356175994 /nfs/dbraw/zinc/17/59/94/1356175994.db2.gz JKHBTNDOBUHBJU-YTQUADARSA-N 2 0 347.503 2.198 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001669703018 1356196558 /nfs/dbraw/zinc/19/65/58/1356196558.db2.gz NAOMOQVFMKHAGA-WMZOPIPTSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001670344715 1356324098 /nfs/dbraw/zinc/32/40/98/1356324098.db2.gz KHZVLVCKILJIKI-KBPBESRZSA-N 2 0 339.430 2.416 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001671678541 1356392633 /nfs/dbraw/zinc/39/26/33/1356392633.db2.gz NECTUTDPPHWVQS-LJQANCHMSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@](C)(C[NH2+]C/C=C/Cl)C2)CC1 ZINC001671794858 1356416244 /nfs/dbraw/zinc/41/62/44/1356416244.db2.gz HHWUZHRVEGESBT-GALSZHCDSA-N 2 0 327.900 2.299 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCCCC(F)(F)F)C[C@@H]3C2)C1 ZINC001672442318 1356523661 /nfs/dbraw/zinc/52/36/61/1356523661.db2.gz DFZCRZQGMPAKIF-SOUVJXGZSA-N 2 0 347.425 2.061 10 0 EEAERP CCCCOCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001673982438 1356767518 /nfs/dbraw/zinc/76/75/18/1356767518.db2.gz XYSANEZNGDSPRL-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)C1 ZINC001674579311 1356860124 /nfs/dbraw/zinc/86/01/24/1356860124.db2.gz XCGKQLKWCZBMLZ-HJOIGYKYSA-N 2 0 347.478 2.194 10 0 EEAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001674720818 1356882908 /nfs/dbraw/zinc/88/29/08/1356882908.db2.gz CWIGJKARADVTBR-STQMWFEESA-N 2 0 326.872 2.060 10 0 EEAERP CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001675565131 1357007072 /nfs/dbraw/zinc/00/70/72/1357007072.db2.gz WDGVUIGEHIMBTP-AKHDSKFASA-N 2 0 333.520 2.367 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001675808126 1357051058 /nfs/dbraw/zinc/05/10/58/1357051058.db2.gz UMSXPLPPASBTLF-HDJSIYSDSA-N 2 0 335.414 2.155 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691706518 1368761765 /nfs/dbraw/zinc/76/17/65/1368761765.db2.gz ZFBMLTJORPCVDY-ZACQAIPSSA-N 2 0 339.499 2.485 10 0 EEAERP CCOCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001698916051 1405158271 /nfs/dbraw/zinc/15/82/71/1405158271.db2.gz HFFUAMABDJAGMB-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001698954415 1405187313 /nfs/dbraw/zinc/18/73/13/1405187313.db2.gz UEFYXINAWSSWCQ-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001699105785 1405260884 /nfs/dbraw/zinc/26/08/84/1405260884.db2.gz XYHUVYQPOFGJPW-CYBMUJFWSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000918807524 769402012 /nfs/dbraw/zinc/40/20/12/769402012.db2.gz HJBWXYIVEPSLNQ-NXHRZFHOSA-N 2 0 330.476 2.043 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819059387 785380093 /nfs/dbraw/zinc/38/00/93/785380093.db2.gz XUWKNQOYIPLGKF-QUCCMNQESA-N 2 0 333.520 2.200 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000819195799 785457365 /nfs/dbraw/zinc/45/73/65/785457365.db2.gz KJMRKBABUVCIQA-IBGZPJMESA-N 2 0 343.471 2.462 10 0 EEAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cn(C)cn1 ZINC000709991478 786977405 /nfs/dbraw/zinc/97/74/05/786977405.db2.gz FKIYIWCLDQBSBK-INIZCTEOSA-N 2 0 328.460 2.098 10 0 EEAERP O=C(N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000911573304 787548341 /nfs/dbraw/zinc/54/83/41/787548341.db2.gz KUSIDNCFOAUMAM-RBUKOAKNSA-N 2 0 339.483 2.350 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nsc2ccccc21 ZINC000912302655 788096467 /nfs/dbraw/zinc/09/64/67/788096467.db2.gz FWRMOIZCFJDJGF-ZDUSSCGKSA-N 2 0 334.489 2.298 10 0 EEAERP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918206 788476410 /nfs/dbraw/zinc/47/64/10/788476410.db2.gz AYAPZBLSZOPCSD-LJQANCHMSA-N 2 0 327.472 2.205 10 0 EEAERP CC[NH+]1CCN(c2ccc(C(=O)NCCCCCC[NH3+])cc2)CC1 ZINC000844200035 788921303 /nfs/dbraw/zinc/92/13/03/788921303.db2.gz GGELHXLUJUZJLF-UHFFFAOYSA-N 2 0 332.492 2.077 10 0 EEAERP Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000923364927 789441774 /nfs/dbraw/zinc/44/17/74/789441774.db2.gz DFGCYHOBINFLAL-AZUAARDMSA-N 2 0 332.488 2.427 10 0 EEAERP CCCCN(CCCC)C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455340 789571386 /nfs/dbraw/zinc/57/13/86/789571386.db2.gz SRJFTFMFAPDMDU-QGZVFWFLSA-N 2 0 339.524 2.245 10 0 EEAERP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455413 789572011 /nfs/dbraw/zinc/57/20/11/789572011.db2.gz UCQUSRVQQLUWAV-DLBZAZTESA-N 2 0 339.524 2.291 10 0 EEAERP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713271869 794561640 /nfs/dbraw/zinc/56/16/40/794561640.db2.gz ZFVXUDKOEDOUDI-RFSOPEBBSA-N 2 0 327.472 2.141 10 0 EEAERP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000952995087 796138638 /nfs/dbraw/zinc/13/86/38/796138638.db2.gz CPRSEIHZEWQBGU-WMZOPIPTSA-N 2 0 345.487 2.006 10 0 EEAERP C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000922639489 801562240 /nfs/dbraw/zinc/56/22/40/801562240.db2.gz OAGQQOWKSIMQRD-MFKMUULPSA-N 2 0 328.359 2.194 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001436418997 1087778144 /nfs/dbraw/zinc/77/81/44/1087778144.db2.gz YCWJWEWAHGQPCU-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001436435236 1087812142 /nfs/dbraw/zinc/81/21/42/1087812142.db2.gz YLSHOWVMZPOQHW-OALUTQOASA-N 2 0 347.503 2.331 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001436474320 1087941257 /nfs/dbraw/zinc/94/12/57/1087941257.db2.gz GKNRRMBENGGCRD-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001436481591 1087964655 /nfs/dbraw/zinc/96/46/55/1087964655.db2.gz OCHYXMXBTVDWTB-NEWSRXKRSA-N 2 0 347.503 2.295 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001436492468 1087992903 /nfs/dbraw/zinc/99/29/03/1087992903.db2.gz WGIKAIVQUXTVPL-SQNIBIBYSA-N 2 0 339.524 2.111 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001436950834 1088637528 /nfs/dbraw/zinc/63/75/28/1088637528.db2.gz GYOGUHYKHMRTQN-GASCZTMLSA-N 2 0 348.491 2.328 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001437015736 1088801650 /nfs/dbraw/zinc/80/16/50/1088801650.db2.gz AVPXLLQGMKFRJC-LRZCHELBSA-N 2 0 336.307 2.474 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001437133942 1089123154 /nfs/dbraw/zinc/12/31/54/1089123154.db2.gz VICNTQFIACZZCW-HDMKZQKVSA-N 2 0 329.488 2.499 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nc(C)c(C)s2)CC[N@@H+]1C ZINC001437134832 1089123399 /nfs/dbraw/zinc/12/33/99/1089123399.db2.gz ZCOJGECRQUQEKJ-BYCMXARLSA-N 2 0 338.521 2.085 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001437233768 1089329485 /nfs/dbraw/zinc/32/94/85/1089329485.db2.gz GGFAQKZNDWQAJY-YVEFUNNKSA-N 2 0 349.425 2.142 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437383722 1089633183 /nfs/dbraw/zinc/63/31/83/1089633183.db2.gz MSVFXBJYGZKKSL-BBRMVZONSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1C ZINC001437426310 1089716716 /nfs/dbraw/zinc/71/67/16/1089716716.db2.gz HHXMCLHGJIQCOR-CRAIPNDOSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C[C@@H](OC)c2ccccc2)CC[N@@H+]1C ZINC001437461109 1089779686 /nfs/dbraw/zinc/77/96/86/1089779686.db2.gz DVOMTLGCRKMQKL-IPMKNSEASA-N 2 0 347.503 2.152 10 0 EEAERP CO[C@@H](C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC001437506776 1089899476 /nfs/dbraw/zinc/89/94/76/1089899476.db2.gz JDWNCDOWZLPARG-WDSOQIARSA-N 2 0 347.503 2.152 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cnc(C)s1 ZINC001437689903 1090232214 /nfs/dbraw/zinc/23/22/14/1090232214.db2.gz TYYRDKOZVUXHEL-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001437936724 1090529167 /nfs/dbraw/zinc/52/91/67/1090529167.db2.gz FDNHCRUGVAUOCL-SJORKVTESA-N 2 0 347.478 2.496 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001438203941 1090694249 /nfs/dbraw/zinc/69/42/49/1090694249.db2.gz BSEZFZKNQCAMER-QZTJIDSGSA-N 2 0 335.467 2.365 10 0 EEAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001438495495 1090993534 /nfs/dbraw/zinc/99/35/34/1090993534.db2.gz ADSRXTMIRYISSB-LBPRGKRZSA-N 2 0 338.521 2.086 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)[NH+](C)C ZINC001445395942 1091140947 /nfs/dbraw/zinc/14/09/47/1091140947.db2.gz QJBSNZGEQAYLFL-BFQNTYOBSA-N 2 0 327.419 2.460 10 0 EEAERP C[C@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438672917 1091164993 /nfs/dbraw/zinc/16/49/93/1091164993.db2.gz FTHFRJXWSNEIHJ-CQSZACIVSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001438710956 1091226817 /nfs/dbraw/zinc/22/68/17/1091226817.db2.gz GFXMGKZKCZBPPO-IEBWSBKVSA-N 2 0 346.519 2.447 10 0 EEAERP COc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001438717502 1091241220 /nfs/dbraw/zinc/24/12/20/1091241220.db2.gz VXXPXRXJNSYVLC-CQSZACIVSA-N 2 0 339.455 2.111 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001438764538 1091338778 /nfs/dbraw/zinc/33/87/78/1091338778.db2.gz FCNLJWPQIJJRPX-YJBOKZPZSA-N 2 0 335.467 2.493 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445566446 1091343596 /nfs/dbraw/zinc/34/35/96/1091343596.db2.gz OXJMWZVLAYDWIF-LRDDRELGSA-N 2 0 325.403 2.043 10 0 EEAERP C[C@@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691281 1091490830 /nfs/dbraw/zinc/49/08/30/1091490830.db2.gz UIOOSYXEVQCDHK-YOEHRIQHSA-N 2 0 337.895 2.413 10 0 EEAERP C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438868101 1091506416 /nfs/dbraw/zinc/50/64/16/1091506416.db2.gz YPMVRRNBQUXOPN-OQPMYKDASA-N 2 0 336.307 2.474 10 0 EEAERP Cc1cncc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001445780124 1091646230 /nfs/dbraw/zinc/64/62/30/1091646230.db2.gz GTGSXEFGCUUMRN-BQFCYCMXSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@H](C[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001439173236 1091820772 /nfs/dbraw/zinc/82/07/72/1091820772.db2.gz JSILTSCLVLACON-PBHICJAKSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)on1 ZINC001439226289 1091870889 /nfs/dbraw/zinc/87/08/89/1091870889.db2.gz KGPHLQCCJKIBBL-AWEZNQCLSA-N 2 0 336.480 2.230 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cnc(C)o2)C2CC2)C1 ZINC001445968449 1091923195 /nfs/dbraw/zinc/92/31/95/1091923195.db2.gz MWAKAGBBVOOSNF-AEFFLSMTSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ccc2sc(C[NH2+]C[C@H](C)NC(=O)C[NH+]3CCCC3)nc2c1 ZINC001439281846 1091939343 /nfs/dbraw/zinc/93/93/43/1091939343.db2.gz FRDKPQRAQXRQQY-AWEZNQCLSA-N 2 0 346.500 2.295 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001439287193 1091946259 /nfs/dbraw/zinc/94/62/59/1091946259.db2.gz YSIWNGCVSOCXQP-YJBOKZPZSA-N 2 0 347.503 2.271 10 0 EEAERP Cc1cccnc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001439322630 1091996835 /nfs/dbraw/zinc/99/68/35/1091996835.db2.gz FQHPFLFRHYERNY-WMZOPIPTSA-N 2 0 332.492 2.199 10 0 EEAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001439366534 1092092830 /nfs/dbraw/zinc/09/28/30/1092092830.db2.gz NACHMUSQVUCGMP-CRAIPNDOSA-N 2 0 345.503 2.060 10 0 EEAERP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1nc2ccccc2o1 ZINC001439477079 1092274342 /nfs/dbraw/zinc/27/43/42/1092274342.db2.gz XWHURBTYCGOIKV-BBRMVZONSA-N 2 0 344.459 2.325 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1ccccc1F ZINC001446250202 1092373411 /nfs/dbraw/zinc/37/34/11/1092373411.db2.gz PKVFCWMFLFGXRV-LSDHHAIUSA-N 2 0 333.451 2.467 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)[NH+](CC)CC ZINC001439542506 1092408902 /nfs/dbraw/zinc/40/89/02/1092408902.db2.gz AVKJOIKFKVJRRV-CABCVRRESA-N 2 0 331.451 2.343 10 0 EEAERP Cc1ccncc1C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001439632974 1092552341 /nfs/dbraw/zinc/55/23/41/1092552341.db2.gz DBMRJNSQDNUWAA-UHFFFAOYSA-N 2 0 330.476 2.003 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC001439640179 1092564004 /nfs/dbraw/zinc/56/40/04/1092564004.db2.gz IEEQIHXTYDZJSU-UHFFFAOYSA-N 2 0 327.831 2.169 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)s1 ZINC001439765132 1092723663 /nfs/dbraw/zinc/72/36/63/1092723663.db2.gz PWJTYRNAUNOQPC-DZGCQCFKSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1ncc(C[NH+]2CCC(C)(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001439801854 1092758565 /nfs/dbraw/zinc/75/85/65/1092758565.db2.gz DLJKTSHZCRYAOA-GASCZTMLSA-N 2 0 348.491 2.327 10 0 EEAERP CO[C@H](C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001439857811 1092886243 /nfs/dbraw/zinc/88/62/43/1092886243.db2.gz XLGFECQHPSUNMG-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC(F)(F)F)C2 ZINC001440116152 1093177310 /nfs/dbraw/zinc/17/73/10/1093177310.db2.gz XKMAPGUADSRTHG-MJBXVCDLSA-N 2 0 335.414 2.250 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2C1 ZINC001440149531 1093210090 /nfs/dbraw/zinc/21/00/90/1093210090.db2.gz NCWYRHFFBYKHBF-HDICACEKSA-N 2 0 333.520 2.299 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001440324285 1093464986 /nfs/dbraw/zinc/46/49/86/1093464986.db2.gz ZZJWNTSDGUTCCH-MSEWRSJXSA-N 2 0 343.515 2.500 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001440432963 1093637568 /nfs/dbraw/zinc/63/75/68/1093637568.db2.gz NXASVDANRVLUJT-MRXNPFEDSA-N 2 0 336.480 2.138 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCCF)[C@@H]3C2(C)C)CC1 ZINC001440441070 1093647919 /nfs/dbraw/zinc/64/79/19/1093647919.db2.gz JTFPDNXKOKCSDB-XHSDSOJGSA-N 2 0 339.499 2.293 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1scnc1C ZINC001440456132 1093673291 /nfs/dbraw/zinc/67/32/91/1093673291.db2.gz XNQFPPUFLJYAPS-LSDHHAIUSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001440469177 1093693962 /nfs/dbraw/zinc/69/39/62/1093693962.db2.gz DUFIEHGHSKLCEQ-QGZVFWFLSA-N 2 0 336.455 2.033 10 0 EEAERP CCC1([NH2+]Cc2cccnc2C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001440530374 1093788789 /nfs/dbraw/zinc/78/87/89/1093788789.db2.gz QSCTUZAIRNUFNP-GOSISDBHSA-N 2 0 344.503 2.345 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C/C(Cl)=C\Cl)CC1 ZINC001440609118 1093873810 /nfs/dbraw/zinc/87/38/10/1093873810.db2.gz UOBYQXNZCHKEBE-XSNHNAGMSA-N 2 0 334.291 2.370 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2cccc(F)c2F)C1 ZINC001440762348 1094003908 /nfs/dbraw/zinc/00/39/08/1094003908.db2.gz YUVALBUFFONNMC-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCc3cccs3)[C@H]2C1 ZINC001449056821 1094072238 /nfs/dbraw/zinc/07/22/38/1094072238.db2.gz XNFRURADZJMETK-SZMVWBNQSA-N 2 0 349.544 2.459 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001440826832 1094079514 /nfs/dbraw/zinc/07/95/14/1094079514.db2.gz CESQNNIOZPHNJI-KGLIPLIRSA-N 2 0 336.480 2.086 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001440826834 1094080114 /nfs/dbraw/zinc/08/01/14/1094080114.db2.gz CESQNNIOZPHNJI-UONOGXRCSA-N 2 0 336.480 2.086 10 0 EEAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001440828729 1094080844 /nfs/dbraw/zinc/08/08/44/1094080844.db2.gz CNPLEJRSSILFHU-VXGBXAGGSA-N 2 0 341.908 2.480 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440849271 1094107758 /nfs/dbraw/zinc/10/77/58/1094107758.db2.gz BKOHZRBNWZMMJY-UONOGXRCSA-N 2 0 338.496 2.429 10 0 EEAERP COCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001440932487 1094185078 /nfs/dbraw/zinc/18/50/78/1094185078.db2.gz JSTHDGLHEMHSPI-LPHOPBHVSA-N 2 0 347.503 2.254 10 0 EEAERP CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001449353433 1094313685 /nfs/dbraw/zinc/31/36/85/1094313685.db2.gz SEFVHHJOIBDWGA-JKSUJKDBSA-N 2 0 341.540 2.216 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2cnoc2C)CC1 ZINC001449367033 1094332076 /nfs/dbraw/zinc/33/20/76/1094332076.db2.gz OECAKSXXWRGCNK-AWEZNQCLSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]C[C@H]2CCCCO2)CCCCC1 ZINC001441107173 1094417428 /nfs/dbraw/zinc/41/74/28/1094417428.db2.gz HXVYOKPFRPWALG-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441296232 1094735987 /nfs/dbraw/zinc/73/59/87/1094735987.db2.gz JRFARPGZOXHAHG-AWEZNQCLSA-N 2 0 347.425 2.205 10 0 EEAERP C[N@H+](CCCF)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001441312020 1094766672 /nfs/dbraw/zinc/76/66/72/1094766672.db2.gz VJXAKXNPFOHUFX-SJORKVTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3coc(C)n3)C[C@H]2C1 ZINC001441343316 1094844551 /nfs/dbraw/zinc/84/45/51/1094844551.db2.gz UGBUFGBILJDLPU-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001441371226 1094902915 /nfs/dbraw/zinc/90/29/15/1094902915.db2.gz QMGCLUFKABJNGX-CZIWCDLHSA-N 2 0 339.430 2.291 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001441436498 1095046700 /nfs/dbraw/zinc/04/67/00/1095046700.db2.gz DZTAGKWCZGLOGS-WKILWMFISA-N 2 0 348.491 2.158 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)s2)C1)[NH+](CC)CC ZINC001441502509 1095185311 /nfs/dbraw/zinc/18/53/11/1095185311.db2.gz CJTUVZWBQMPTNQ-LZWOXQAQSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001441534950 1095248711 /nfs/dbraw/zinc/24/87/11/1095248711.db2.gz IXXMWTUVMHOLSC-ZFWWWQNUSA-N 2 0 338.521 2.262 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001441539992 1095255760 /nfs/dbraw/zinc/25/57/60/1095255760.db2.gz JWINJHOZRYMPFC-IYBDPMFKSA-N 2 0 335.517 2.403 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001441546046 1095270161 /nfs/dbraw/zinc/27/01/61/1095270161.db2.gz DOHQYJMPJUUHLC-JZXOWHBKSA-N 2 0 348.491 2.230 10 0 EEAERP Cc1cccnc1C[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001441665860 1095636728 /nfs/dbraw/zinc/63/67/28/1095636728.db2.gz YMMQJBBVEZQTAG-ZWKOTPCHSA-N 2 0 344.503 2.203 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001441915422 1096092731 /nfs/dbraw/zinc/09/27/31/1096092731.db2.gz KRYMKJCQDBSQLT-QWHCGFSZSA-N 2 0 335.414 2.250 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001442140394 1096387456 /nfs/dbraw/zinc/38/74/56/1096387456.db2.gz IOZFBNOOORDWMZ-HOTGVXAUSA-N 2 0 336.480 2.006 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2csc(Cl)n2)C1 ZINC001442186796 1096458478 /nfs/dbraw/zinc/45/84/78/1096458478.db2.gz HUPROTWCWOROHC-VXGBXAGGSA-N 2 0 344.912 2.265 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC001442189328 1096461276 /nfs/dbraw/zinc/46/12/76/1096461276.db2.gz KFUHBDPHDDRYSY-LSDHHAIUSA-N 2 0 348.491 2.022 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCC(F)(F)F)CC1)[NH+](C)C ZINC001442206893 1096493432 /nfs/dbraw/zinc/49/34/32/1096493432.db2.gz BTDHNGISXZEPAP-GXTWGEPZSA-N 2 0 337.430 2.496 10 0 EEAERP C[N@@H+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001442401352 1096722235 /nfs/dbraw/zinc/72/22/35/1096722235.db2.gz LVDSIYZSMJQGBJ-ZXYDQQDNSA-N 2 0 327.472 2.090 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)c1 ZINC001442551693 1096913829 /nfs/dbraw/zinc/91/38/29/1096913829.db2.gz ISGDPFBHSDKLBS-MJGOQNOKSA-N 2 0 345.487 2.260 10 0 EEAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001442691267 1097060209 /nfs/dbraw/zinc/06/02/09/1097060209.db2.gz YIROUSLHKVYQML-OAHLLOKOSA-N 2 0 329.448 2.365 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001442975319 1097399276 /nfs/dbraw/zinc/39/92/76/1097399276.db2.gz SHKHUYRUJDAIBF-IEBWSBKVSA-N 2 0 329.488 2.454 10 0 EEAERP COc1cccc([C@H](C)N2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001443484205 1097980626 /nfs/dbraw/zinc/98/06/26/1097980626.db2.gz WPFXFXJQKYMYEJ-YJBOKZPZSA-N 2 0 345.487 2.431 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ocnc1C ZINC001443947909 1098467584 /nfs/dbraw/zinc/46/75/84/1098467584.db2.gz DMTMTIPDIVFRMP-HOTGVXAUSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001479526118 1098593156 /nfs/dbraw/zinc/59/31/56/1098593156.db2.gz PGKXZTOTZSCVCE-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H]1CCCOC1 ZINC001479738323 1098851893 /nfs/dbraw/zinc/85/18/93/1098851893.db2.gz FSTJCWQUOVFVJC-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CC1(Cl)Cl ZINC001479812188 1099071011 /nfs/dbraw/zinc/07/10/11/1099071011.db2.gz IBJNJWNHSJPXIL-CYBMUJFWSA-N 2 0 336.307 2.104 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001479979975 1099433822 /nfs/dbraw/zinc/43/38/22/1099433822.db2.gz BTEKQSCOKHKICD-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP CC(C)C[C@H](C[NH2+]Cc1nccs1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001444760133 1099646875 /nfs/dbraw/zinc/64/68/75/1099646875.db2.gz DHANDRZWBAOCMQ-HUUCEWRRSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444765498 1099660094 /nfs/dbraw/zinc/66/00/94/1099660094.db2.gz YKSFGGSKSBQBNP-VQIMIIECSA-N 2 0 346.519 2.352 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480138618 1099704036 /nfs/dbraw/zinc/70/40/36/1099704036.db2.gz JIKWKJBSGNUXSD-QAQDUYKDSA-N 2 0 339.524 2.303 10 0 EEAERP CCc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001480236768 1099865814 /nfs/dbraw/zinc/86/58/14/1099865814.db2.gz AVJIRBCGNAIJEL-CALCHBBNSA-N 2 0 348.491 2.240 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444883715 1099911419 /nfs/dbraw/zinc/91/14/19/1099911419.db2.gz GIWYZAGFPOWRKY-DLBZAZTESA-N 2 0 336.480 2.088 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001480287047 1099996138 /nfs/dbraw/zinc/99/61/38/1099996138.db2.gz WCBZCUZBEGFWOQ-JKUHXPQUSA-N 2 0 327.900 2.442 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCc1ccccc1 ZINC001444923699 1100015167 /nfs/dbraw/zinc/01/51/67/1100015167.db2.gz USEPGOZALFQCAQ-CTNGQTDRSA-N 2 0 343.515 2.445 10 0 EEAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC2(CCC2)C1 ZINC001444931739 1100036177 /nfs/dbraw/zinc/03/61/77/1100036177.db2.gz HFQPZFCTXLNWKB-QGZVFWFLSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444986067 1100113481 /nfs/dbraw/zinc/11/34/81/1100113481.db2.gz FVMHRXGZJHDDTF-LPHOPBHVSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480472768 1100280260 /nfs/dbraw/zinc/28/02/60/1100280260.db2.gz BJRJBFYXBCTSGW-BEFAXECRSA-N 2 0 344.503 2.391 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@H]2CC(C)(C)CO2)CCCC1 ZINC001495200128 1100880390 /nfs/dbraw/zinc/88/03/90/1100880390.db2.gz PRETXHCVEDDKCH-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001496402678 1100995914 /nfs/dbraw/zinc/99/59/14/1100995914.db2.gz CHYLBEAIZBWVHZ-NVXWUHKLSA-N 2 0 348.491 2.192 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001495357492 1101071296 /nfs/dbraw/zinc/07/12/96/1101071296.db2.gz RAMRYCGWEVJUTF-QLFBSQMISA-N 2 0 349.441 2.497 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cncc(C)c2)C1 ZINC001495378497 1101098340 /nfs/dbraw/zinc/09/83/40/1101098340.db2.gz JZTYNDUOLVJMRJ-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001446633925 1101144526 /nfs/dbraw/zinc/14/45/26/1101144526.db2.gz GRDBHKICAGMPOH-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001496561400 1101162595 /nfs/dbraw/zinc/16/25/95/1101162595.db2.gz KMARCNFCVLJTOP-NVXWUHKLSA-N 2 0 327.488 2.341 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001495466452 1101177944 /nfs/dbraw/zinc/17/79/44/1101177944.db2.gz JSYKHFWPTYEXRX-WKILWMFISA-N 2 0 348.491 2.411 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001446663455 1101188980 /nfs/dbraw/zinc/18/89/80/1101188980.db2.gz PZVKRBYJMJNRMC-OAHLLOKOSA-N 2 0 325.472 2.049 10 0 EEAERP CN(CC[N@H+](C)Cc1ccc(CF)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496704477 1101303601 /nfs/dbraw/zinc/30/36/01/1101303601.db2.gz KZZYPTNLYZRJLF-IBGZPJMESA-N 2 0 347.478 2.388 10 0 EEAERP Cc1cc(F)ccc1C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001496816203 1101521220 /nfs/dbraw/zinc/52/12/20/1101521220.db2.gz DJBOVEKDCJXVRP-MRXNPFEDSA-N 2 0 335.467 2.366 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)no1 ZINC001496871141 1101647873 /nfs/dbraw/zinc/64/78/73/1101647873.db2.gz WTTUOOVLUZQXNL-WMZOPIPTSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001446970892 1101681481 /nfs/dbraw/zinc/68/14/81/1101681481.db2.gz KGLSSBGXBGESSR-GOEBONIOSA-N 2 0 337.895 2.476 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497221995 1102149373 /nfs/dbraw/zinc/14/93/73/1102149373.db2.gz YHXCVOKGAVBWGO-ZDUSSCGKSA-N 2 0 329.435 2.145 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001497254824 1102200725 /nfs/dbraw/zinc/20/07/25/1102200725.db2.gz KGVDFYDVPVHKQP-RYRKJORJSA-N 2 0 346.519 2.413 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC2CCOCC2)C1 ZINC001497257314 1102205279 /nfs/dbraw/zinc/20/52/79/1102205279.db2.gz WHZHJLURXRHQKG-WMZOPIPTSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497303419 1102284653 /nfs/dbraw/zinc/28/46/53/1102284653.db2.gz GTMYITINHQJOPP-AEFFLSMTSA-N 2 0 346.519 2.079 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1)[NH+](C)C ZINC001497306816 1102289821 /nfs/dbraw/zinc/28/98/21/1102289821.db2.gz APIVBRCGDXPHOE-JQWIXIFHSA-N 2 0 332.901 2.121 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001497322741 1102321594 /nfs/dbraw/zinc/32/15/94/1102321594.db2.gz LRLSMEOVZRONCN-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CCN(CC[NH2+]CCc1cccs1)C(=O)CC1CC[NH+](C)CC1 ZINC001497464809 1102531220 /nfs/dbraw/zinc/53/12/20/1102531220.db2.gz SIDUIMGXZYKIPZ-UHFFFAOYSA-N 2 0 337.533 2.461 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1F ZINC001497550259 1102653922 /nfs/dbraw/zinc/65/39/22/1102653922.db2.gz YHQRWANIDMZXNV-KZSQQDEKSA-N 2 0 339.842 2.335 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001497579135 1102693313 /nfs/dbraw/zinc/69/33/13/1102693313.db2.gz LPLVJPDRLGDDFE-XQQSMPNESA-N 2 0 341.499 2.407 10 0 EEAERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1F ZINC001497610706 1102745928 /nfs/dbraw/zinc/74/59/28/1102745928.db2.gz KAZGPTSYJZOKLO-LAQIPUCWSA-N 2 0 349.450 2.081 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001447496098 1102747739 /nfs/dbraw/zinc/74/77/39/1102747739.db2.gz ARCRWSBACNJDEL-QGZVFWFLSA-N 2 0 347.503 2.344 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1 ZINC001497614976 1102752851 /nfs/dbraw/zinc/75/28/51/1102752851.db2.gz LQSNSWLYJSLCJW-LIMHQNJXSA-N 2 0 337.414 2.211 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001497696204 1102921908 /nfs/dbraw/zinc/92/19/08/1102921908.db2.gz DWECQZPPLXDTSV-KTFACBHLSA-N 2 0 342.487 2.169 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497798292 1103124271 /nfs/dbraw/zinc/12/42/71/1103124271.db2.gz UTXMMHXNIXKJBZ-MLGOLLRUSA-N 2 0 341.858 2.210 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001497816947 1103144531 /nfs/dbraw/zinc/14/45/31/1103144531.db2.gz ILMANRZRPWKTCG-APWZRJJASA-N 2 0 329.488 2.240 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817583 1103147128 /nfs/dbraw/zinc/14/71/28/1103147128.db2.gz HZZQVARJQBDNQM-LALPHHSUSA-N 2 0 341.858 2.414 10 0 EEAERP Cc1oc(-c2ccccc2)nc1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497898553 1103282760 /nfs/dbraw/zinc/28/27/60/1103282760.db2.gz BCRDAANCWPCVPI-CQSZACIVSA-N 2 0 344.459 2.196 10 0 EEAERP CC[C@H](C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001494150905 1103610136 /nfs/dbraw/zinc/61/01/36/1103610136.db2.gz WQXAXWBCEGCTHZ-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001448211797 1104183563 /nfs/dbraw/zinc/18/35/63/1104183563.db2.gz QYJRVFGXXPROKY-DLBZAZTESA-N 2 0 336.480 2.122 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)NCC1C[NH+](CC[C@H](C)F)C1)c1ccccc1 ZINC001494616265 1104200555 /nfs/dbraw/zinc/20/05/55/1104200555.db2.gz HJVRRYKCVHIDFQ-MAUKXSAKSA-N 2 0 335.467 2.476 10 0 EEAERP Cc1cc(C)cc(C[NH+]2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001448357463 1104453337 /nfs/dbraw/zinc/45/33/37/1104453337.db2.gz IMLSGRJTPXUXQF-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1ccccc1 ZINC001495037839 1104678726 /nfs/dbraw/zinc/67/87/26/1104678726.db2.gz NOVCNZRBCHUHNA-WMZOPIPTSA-N 2 0 333.476 2.034 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]Cc2cc(C)no2)C1 ZINC001495042498 1104682039 /nfs/dbraw/zinc/68/20/39/1104682039.db2.gz TWUPOADOWDWCHX-JKSUJKDBSA-N 2 0 336.480 2.089 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001495058309 1104695687 /nfs/dbraw/zinc/69/56/87/1104695687.db2.gz NSRNLXTUACHTFB-MAUKXSAKSA-N 2 0 349.523 2.099 10 0 EEAERP CN(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480622988 1106785069 /nfs/dbraw/zinc/78/50/69/1106785069.db2.gz DVLCFJDCQKTHMH-SFHVURJKSA-N 2 0 346.519 2.175 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001480675595 1106862400 /nfs/dbraw/zinc/86/24/00/1106862400.db2.gz HVKNDYBQYUDWED-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001480701516 1106913840 /nfs/dbraw/zinc/91/38/40/1106913840.db2.gz LNRSOPHFNUTCLZ-LSDHHAIUSA-N 2 0 334.464 2.021 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001480785242 1107113530 /nfs/dbraw/zinc/11/35/30/1107113530.db2.gz CJLDMQORDTZAGH-RYRKJORJSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001480834970 1107235944 /nfs/dbraw/zinc/23/59/44/1107235944.db2.gz WMKGYGJXUSYDJX-HZPDHXFCSA-N 2 0 325.472 2.191 10 0 EEAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cncc(C)c1 ZINC001493012690 1107297963 /nfs/dbraw/zinc/29/79/63/1107297963.db2.gz SZORYTMPCUPIJR-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)c1C ZINC001498380781 1107424485 /nfs/dbraw/zinc/42/44/85/1107424485.db2.gz KEQCHQPDZLBSDS-JKSUJKDBSA-N 2 0 347.503 2.282 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC001493134030 1107568402 /nfs/dbraw/zinc/56/84/02/1107568402.db2.gz VBPIFBZJSPASOC-HNNXBMFYSA-N 2 0 339.430 2.040 10 0 EEAERP Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[NH+]1CCCCCC1 ZINC001454788357 1107651118 /nfs/dbraw/zinc/65/11/18/1107651118.db2.gz ZZRPWEHWGMQIEM-GOSISDBHSA-N 2 0 346.523 2.137 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001493210189 1107687977 /nfs/dbraw/zinc/68/79/77/1107687977.db2.gz HCZJJKPKNJUZJG-YJBOKZPZSA-N 2 0 348.466 2.033 10 0 EEAERP Cc1ccc(CC[NH2+]CCCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001498559893 1107722562 /nfs/dbraw/zinc/72/25/62/1107722562.db2.gz NRMQPWMCYISHDO-UHFFFAOYSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498641923 1107874469 /nfs/dbraw/zinc/87/44/69/1107874469.db2.gz QSQXTVGMUAKFMS-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498861360 1108237132 /nfs/dbraw/zinc/23/71/32/1108237132.db2.gz CQCIDBUVEKEBBT-HNAYVOBHSA-N 2 0 345.487 2.336 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001498861268 1108238497 /nfs/dbraw/zinc/23/84/97/1108238497.db2.gz CEAZYGALNNOPKX-WOJBJXKFSA-N 2 0 343.515 2.228 10 0 EEAERP CCc1cccc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498863745 1108241413 /nfs/dbraw/zinc/24/14/13/1108241413.db2.gz NEZSVFKKBDWEKP-LJQANCHMSA-N 2 0 329.488 2.329 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CCCOC ZINC001498898176 1108295120 /nfs/dbraw/zinc/29/51/20/1108295120.db2.gz LLBXUEWMYTZOGK-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493550195 1108299050 /nfs/dbraw/zinc/29/90/50/1108299050.db2.gz LTLVNVKRSZUIAU-HOCLYGCPSA-N 2 0 343.462 2.202 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001493597844 1108379078 /nfs/dbraw/zinc/37/90/78/1108379078.db2.gz JHYOHSNHERZVPE-LJQANCHMSA-N 2 0 347.503 2.215 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1C[C@@H]1CCC(F)(F)C1 ZINC001499107325 1108598009 /nfs/dbraw/zinc/59/80/09/1108598009.db2.gz QJXLIYLDSNIBCJ-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)C[NH+]1CCCC1 ZINC001493793367 1108672590 /nfs/dbraw/zinc/67/25/90/1108672590.db2.gz HHICLKGIPPKYGJ-GOSISDBHSA-N 2 0 329.488 2.250 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001493819537 1108700270 /nfs/dbraw/zinc/70/02/70/1108700270.db2.gz NHCSOARYRKINJV-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP CCC[NH+]1CCC(Cn2c(C)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001460497629 1110296485 /nfs/dbraw/zinc/29/64/85/1110296485.db2.gz LPQDEMNMIJCMLF-MRXNPFEDSA-N 2 0 348.539 2.239 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC[N@@H+]1C ZINC001471396048 1110522008 /nfs/dbraw/zinc/52/20/08/1110522008.db2.gz NUWHKISCGULTDX-SJLPKXTDSA-N 2 0 344.503 2.385 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479415497 1110693789 /nfs/dbraw/zinc/69/37/89/1110693789.db2.gz RVYUDZKMILDBCD-RZDIXWSQSA-N 2 0 333.451 2.214 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC[C@H]1CCCC1(F)F ZINC001499131942 1112140688 /nfs/dbraw/zinc/14/06/88/1112140688.db2.gz MUGMCFJFKCTKIU-HUUCEWRRSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1nocc1CNC1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001499273249 1112211604 /nfs/dbraw/zinc/21/16/04/1112211604.db2.gz ZLEWYXXPKVXBRK-UHFFFAOYSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499615613 1112412941 /nfs/dbraw/zinc/41/29/41/1112412941.db2.gz FLTNTZGYSPUTIC-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCOC(C)C ZINC001499955320 1112555004 /nfs/dbraw/zinc/55/50/04/1112555004.db2.gz PZAYDRPCZIHTEJ-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CCC(CC)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001500614220 1112977765 /nfs/dbraw/zinc/97/77/65/1112977765.db2.gz SWNBBNMNAQCDGH-HNNXBMFYSA-N 2 0 333.467 2.448 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001501190052 1113234752 /nfs/dbraw/zinc/23/47/52/1113234752.db2.gz MYEBDSMJBQWGNU-ZHXFTVOOSA-N 2 0 327.900 2.203 10 0 EEAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001501575248 1113388501 /nfs/dbraw/zinc/38/85/01/1113388501.db2.gz XDAVDUAKKFPAHI-DOTOQJQBSA-N 2 0 325.472 2.191 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CC3CC(F)(F)C3)C2)CC1 ZINC001501613094 1113399865 /nfs/dbraw/zinc/39/98/65/1113399865.db2.gz XZVAJOWVJFPACF-AWEZNQCLSA-N 2 0 343.462 2.202 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CCC1)[NH+](C)C ZINC001502017411 1113560747 /nfs/dbraw/zinc/56/07/47/1113560747.db2.gz JCBVYBOAMKWWDW-AWEZNQCLSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502052814 1113570859 /nfs/dbraw/zinc/57/08/59/1113570859.db2.gz DBPMSUILDLJMAL-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001502086570 1113582266 /nfs/dbraw/zinc/58/22/66/1113582266.db2.gz FHBHGTRWHALJEX-RTBURBONSA-N 2 0 349.519 2.036 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001502390366 1113661834 /nfs/dbraw/zinc/66/18/34/1113661834.db2.gz BDXJUZBIKFVOPA-QGZVFWFLSA-N 2 0 332.492 2.012 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001505733434 1114157730 /nfs/dbraw/zinc/15/77/30/1114157730.db2.gz SVDAZXMPZTWJDO-GJZGRUSLSA-N 2 0 333.451 2.213 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943561 1114292712 /nfs/dbraw/zinc/29/27/12/1114292712.db2.gz KMJMZDSGLDSCJF-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001506848036 1114911375 /nfs/dbraw/zinc/91/13/75/1114911375.db2.gz VEWYWWKINKVIKH-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3conc3C)C[C@@H]2C1 ZINC001506853002 1114915653 /nfs/dbraw/zinc/91/56/53/1114915653.db2.gz AADDVAXSUSDGGQ-XYJFISCASA-N 2 0 348.491 2.042 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001506936700 1114987168 /nfs/dbraw/zinc/98/71/68/1114987168.db2.gz NWPFRWAOBCXDSL-INIZCTEOSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507410924 1115256115 /nfs/dbraw/zinc/25/61/15/1115256115.db2.gz PAIZLNLXHRAITD-RTBURBONSA-N 2 0 331.504 2.364 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCC(C)(C)C ZINC001507629136 1115312041 /nfs/dbraw/zinc/31/20/41/1115312041.db2.gz WXHJYKYMXYELTQ-IRXDYDNUSA-N 2 0 341.540 2.047 10 0 EEAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001507801776 1115349143 /nfs/dbraw/zinc/34/91/43/1115349143.db2.gz KCMVLFIQNRPDSE-IAGOWNOFSA-N 2 0 327.513 2.063 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001508067112 1115409278 /nfs/dbraw/zinc/40/92/78/1115409278.db2.gz VQFPNOJUAYJWPS-MRXNPFEDSA-N 2 0 332.492 2.140 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](Cc2cncs2)CC1 ZINC001508068573 1115410407 /nfs/dbraw/zinc/41/04/07/1115410407.db2.gz OWFPOIHBBWKFLU-CQSZACIVSA-N 2 0 338.521 2.200 10 0 EEAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001508147398 1115428034 /nfs/dbraw/zinc/42/80/34/1115428034.db2.gz MPYKUAULQOZWPB-IVMQYODDSA-N 2 0 347.478 2.289 10 0 EEAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001508156202 1115429895 /nfs/dbraw/zinc/42/98/95/1115429895.db2.gz WELLBRJKLMDZDV-DAWZGUTISA-N 2 0 339.524 2.111 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001567875441 1124152128 /nfs/dbraw/zinc/15/21/28/1124152128.db2.gz NJKMUKOKZSBGSF-INIZCTEOSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001567924520 1124182890 /nfs/dbraw/zinc/18/28/90/1124182890.db2.gz DEYABSGNWHGBMM-SFHVURJKSA-N 2 0 332.492 2.155 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001568110588 1124307946 /nfs/dbraw/zinc/30/79/46/1124307946.db2.gz WZMJHKXWUZLMOG-IYARVYRRSA-N 2 0 347.503 2.343 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC3(CC[NH+](CCCCCF)C3)CC2)C1 ZINC001568157429 1124332476 /nfs/dbraw/zinc/33/24/76/1124332476.db2.gz CCTORVQLUQPWFB-KRWDZBQOSA-N 2 0 339.499 2.392 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001568640741 1124653820 /nfs/dbraw/zinc/65/38/20/1124653820.db2.gz OYJYBAVBWVIDFH-PBHICJAKSA-N 2 0 348.491 2.374 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743378 1124757060 /nfs/dbraw/zinc/75/70/60/1124757060.db2.gz HWVJCTPKOQMJLC-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP CCc1nocc1C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001568942573 1124974453 /nfs/dbraw/zinc/97/44/53/1124974453.db2.gz CMEAFXZUJOUFQH-AATRIKPKSA-N 2 0 348.491 2.119 10 0 EEAERP CN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349788116 282239523 /nfs/dbraw/zinc/23/95/23/282239523.db2.gz WPXAMYVNOMLZBU-QZTJIDSGSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090938877 539378218 /nfs/dbraw/zinc/37/82/18/539378218.db2.gz WZLXRPNUJYFVRV-HUUCEWRRSA-N 2 0 328.460 2.105 10 0 EEAERP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCSCC1 ZINC000129343189 223045728 /nfs/dbraw/zinc/04/57/28/223045728.db2.gz DQIKEVBFOOMGOZ-SJLPKXTDSA-N 2 0 347.528 2.205 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000422911521 240287176 /nfs/dbraw/zinc/28/71/76/240287176.db2.gz TYAXATHPZKYAES-LSDHHAIUSA-N 2 0 341.883 2.271 10 0 EEAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423057612 240346111 /nfs/dbraw/zinc/34/61/11/240346111.db2.gz HNKGGUYPXYHJDK-FDQGKXFDSA-N 2 0 337.895 2.040 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCCC2CCOCC2)CC[NH2+]CC1 ZINC000423145822 240382971 /nfs/dbraw/zinc/38/29/71/240382971.db2.gz MRPQMUFXRXKWOO-HNNXBMFYSA-N 2 0 326.481 2.104 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[NH+](CC)CC ZINC000427148017 241384837 /nfs/dbraw/zinc/38/48/37/241384837.db2.gz RXBFRIRIXJPBAU-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000268823879 252274804 /nfs/dbraw/zinc/27/48/04/252274804.db2.gz QEVYYDLDFZRSBO-UHFFFAOYSA-N 2 0 344.434 2.283 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000246158453 256014738 /nfs/dbraw/zinc/01/47/38/256014738.db2.gz AAYUBEAQDJNUMV-RTBURBONSA-N 2 0 329.488 2.484 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245659662 160246992 /nfs/dbraw/zinc/24/69/92/160246992.db2.gz PKDATRRNAZMNAT-KSZLIROESA-N 2 0 330.476 2.215 10 0 EEAERP CCCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000344822202 161248696 /nfs/dbraw/zinc/24/86/96/161248696.db2.gz GHAIAXQEYPARGW-UHFFFAOYSA-N 2 0 346.519 2.242 10 0 EEAERP COCC[C@@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000368654807 166098648 /nfs/dbraw/zinc/09/86/48/166098648.db2.gz CRMVEVDCOLDPCX-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000375854758 167212483 /nfs/dbraw/zinc/21/24/83/167212483.db2.gz WDKORRINFUXXKE-BZSNNMDCSA-N 2 0 333.451 2.408 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000185874381 274023260 /nfs/dbraw/zinc/02/32/60/274023260.db2.gz KRJGKYBUZDEVEX-MRXNPFEDSA-N 2 0 327.476 2.192 10 0 EEAERP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423509013 274135276 /nfs/dbraw/zinc/13/52/76/274135276.db2.gz KZOORDCNGSMBGV-LBXVMSDZSA-N 2 0 329.488 2.489 10 0 EEAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416785423 313315519 /nfs/dbraw/zinc/31/55/19/313315519.db2.gz KWPPMQRBRZFTAZ-CEXWTWQISA-N 2 0 342.487 2.217 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416801539 313319549 /nfs/dbraw/zinc/31/95/49/313319549.db2.gz AEBJCCDIAWIMKH-BBWFWOEESA-N 2 0 346.475 2.343 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000416885683 313348843 /nfs/dbraw/zinc/34/88/43/313348843.db2.gz FQXVQROKVYTEOT-QAPCUYQASA-N 2 0 332.492 2.326 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000416972743 313377889 /nfs/dbraw/zinc/37/78/89/313377889.db2.gz STQXGHULNMHVMW-YJBOKZPZSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCC[NH3+])C1 ZINC000416999318 313388070 /nfs/dbraw/zinc/38/80/70/313388070.db2.gz MDRMTFQIPYKJRR-HZPDHXFCSA-N 2 0 332.492 2.313 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000418456281 313818441 /nfs/dbraw/zinc/81/84/41/313818441.db2.gz FKRUVMVBNUYXCM-KDOFPFPSSA-N 2 0 330.476 2.237 10 0 EEAERP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOCCOc3ccccc3)CC2)C1 ZINC000420385793 313947388 /nfs/dbraw/zinc/94/73/88/313947388.db2.gz IBOIMWFEYLUXTJ-ICSRJNTNSA-N 2 0 348.487 2.300 10 0 EEAERP C[C@H]1CCC[C@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000525437323 317058598 /nfs/dbraw/zinc/05/85/98/317058598.db2.gz JSEHSALTIFDOCR-DLBZAZTESA-N 2 0 326.529 2.338 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccsc1Br)N1CC[NH+](C)CC1 ZINC000527654462 317237626 /nfs/dbraw/zinc/23/76/26/317237626.db2.gz QIZVUVOYICWZTQ-NSHDSACASA-N 2 0 332.311 2.236 10 0 EEAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528370443 317369318 /nfs/dbraw/zinc/36/93/18/317369318.db2.gz YTKHKDYPBXCMFB-FQEVSTJZSA-N 2 0 346.515 2.496 10 0 EEAERP C[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C[NH+]1CCCC1 ZINC000562769631 318927980 /nfs/dbraw/zinc/92/79/80/318927980.db2.gz RZCDEBOPPMEAEJ-ZDUSSCGKSA-N 2 0 334.439 2.325 10 0 EEAERP COc1cncc(/C=C\CC[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000564911421 319126548 /nfs/dbraw/zinc/12/65/48/319126548.db2.gz HPDVDWLBPFJICJ-DAXSKMNVSA-N 2 0 332.492 2.063 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000574784009 320057624 /nfs/dbraw/zinc/05/76/24/320057624.db2.gz JIIAPZQIDVKQBE-MJGOQNOKSA-N 2 0 336.524 2.284 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000113594424 462605835 /nfs/dbraw/zinc/60/58/35/462605835.db2.gz XGXAHGRVFDQHBH-MAUKXSAKSA-N 2 0 330.476 2.126 10 0 EEAERP C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000090515481 462794837 /nfs/dbraw/zinc/79/48/37/462794837.db2.gz POSRCWVGQSPPJP-AYSMAOOMSA-N 2 0 326.506 2.435 10 0 EEAERP C[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000154846117 462814320 /nfs/dbraw/zinc/81/43/20/462814320.db2.gz FLMZBCFWERYYBI-HXUWFJFHSA-N 2 0 329.488 2.499 10 0 EEAERP [NH3+][C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 ZINC000013730936 462902413 /nfs/dbraw/zinc/90/24/13/462902413.db2.gz YTEBHKVWLVDMRI-KRWDZBQOSA-N 2 0 347.413 2.357 10 0 EEAERP C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000121217531 463099624 /nfs/dbraw/zinc/09/96/24/463099624.db2.gz CFYFPDVZTUTMRY-INIZCTEOSA-N 2 0 338.540 2.480 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000158444837 463235431 /nfs/dbraw/zinc/23/54/31/463235431.db2.gz ZTJSHXOYPOJHME-AEFFLSMTSA-N 2 0 332.492 2.146 10 0 EEAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000590859852 468358845 /nfs/dbraw/zinc/35/88/45/468358845.db2.gz TWRYVTSOSSGPQB-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000163318529 463580191 /nfs/dbraw/zinc/58/01/91/463580191.db2.gz QMIGIHICSCAIPV-NRFANRHFSA-N 2 0 345.531 2.394 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000268883911 463793812 /nfs/dbraw/zinc/79/38/12/463793812.db2.gz YNQMAQDLWOWRNI-HLAWJBBLSA-N 2 0 345.531 2.333 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC[N@@H+]1C ZINC000177928721 463815274 /nfs/dbraw/zinc/81/52/74/463815274.db2.gz BWTMMCDXODIJMZ-VQIMIIECSA-N 2 0 325.456 2.469 10 0 EEAERP C[NH2+]CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000261982219 463916892 /nfs/dbraw/zinc/91/68/92/463916892.db2.gz INFKFJCNHNPDGK-CQSZACIVSA-N 2 0 335.414 2.109 10 0 EEAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000262157779 463959994 /nfs/dbraw/zinc/95/99/94/463959994.db2.gz TZOOLTGKZMVXRE-KSZLIROESA-N 2 0 331.460 2.217 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000195122327 463995124 /nfs/dbraw/zinc/99/51/24/463995124.db2.gz JPKRCCZVNYCBFO-ROUUACIJSA-N 2 0 332.492 2.463 10 0 EEAERP CCCC[NH+]1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278938258 464008370 /nfs/dbraw/zinc/00/83/70/464008370.db2.gz XGEBEQHQEYNCPN-UHFFFAOYSA-N 2 0 329.444 2.137 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000262661061 464037136 /nfs/dbraw/zinc/03/71/36/464037136.db2.gz GJWGACQRHBGNMY-QXAKKESOSA-N 2 0 329.488 2.457 10 0 EEAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1F ZINC000284301376 464142468 /nfs/dbraw/zinc/14/24/68/464142468.db2.gz YQWIINXSMUEXCS-CVEARBPZSA-N 2 0 342.480 2.333 10 0 EEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236978402 464247658 /nfs/dbraw/zinc/24/76/58/464247658.db2.gz YJJSIWKUFJHWDJ-NEWSRXKRSA-N 2 0 345.487 2.164 10 0 EEAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833038 464456002 /nfs/dbraw/zinc/45/60/02/464456002.db2.gz CXQJCLNLRCVSSQ-HKUYNNGSSA-N 2 0 342.487 2.163 10 0 EEAERP COCC[NH2+]C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000568894174 468403111 /nfs/dbraw/zinc/40/31/11/468403111.db2.gz OFRHEHABGAVTBD-QGZVFWFLSA-N 2 0 339.524 2.291 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246387265 464579245 /nfs/dbraw/zinc/57/92/45/464579245.db2.gz IEFZRGGKOAWPIO-XDNAFOTISA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000246424767 464583883 /nfs/dbraw/zinc/58/38/83/464583883.db2.gz MDLVRZBBGIIRCL-KSZLIROESA-N 2 0 338.540 2.479 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1nccn1CCc1ccccc1 ZINC000175719887 464609853 /nfs/dbraw/zinc/60/98/53/464609853.db2.gz RKWPUGAGHZYJCX-KRWDZBQOSA-N 2 0 341.459 2.019 10 0 EEAERP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000282363991 464790535 /nfs/dbraw/zinc/79/05/35/464790535.db2.gz HUMYPJYEDUDPSX-SFHVURJKSA-N 2 0 345.487 2.130 10 0 EEAERP COC(=O)[C@H](CC(C)C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000351732035 465324593 /nfs/dbraw/zinc/32/45/93/465324593.db2.gz YYHHBIJFVDVZKR-SFHVURJKSA-N 2 0 340.508 2.399 10 0 EEAERP CCn1ccnc1CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000298415934 465389304 /nfs/dbraw/zinc/38/93/04/465389304.db2.gz KWOVYFHFPCBHMN-RDJZCZTQSA-N 2 0 341.459 2.365 10 0 EEAERP COC(=O)[C@@H]1OCC[C@@H]1NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000597187017 468475114 /nfs/dbraw/zinc/47/51/14/468475114.db2.gz MOCJTRTZKYSYTJ-AYOQOUSVSA-N 2 0 346.471 2.002 10 0 EEAERP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@H]1SC ZINC000597176672 468472580 /nfs/dbraw/zinc/47/25/80/468472580.db2.gz KHQFIMOXDAEUPB-KZNAEPCWSA-N 2 0 342.549 2.376 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000591568319 468484728 /nfs/dbraw/zinc/48/47/28/468484728.db2.gz LLOHNGWFLYJGLQ-JKSUJKDBSA-N 2 0 340.508 2.493 10 0 EEAERP COCCO[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000338955307 466518949 /nfs/dbraw/zinc/51/89/49/466518949.db2.gz SJQFNWOCLYNSAV-SFHVURJKSA-N 2 0 330.432 2.203 10 0 EEAERP CC(C)S(=O)(=O)CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000368514158 466655295 /nfs/dbraw/zinc/65/52/95/466655295.db2.gz LIRYRGTWGDBDNI-HNNXBMFYSA-N 2 0 339.505 2.222 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423008431 466689040 /nfs/dbraw/zinc/68/90/40/466689040.db2.gz AERIXAPACDKXJO-ULQDDVLXSA-N 2 0 325.884 2.429 10 0 EEAERP CN(Cc1ccccc1)C1(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CCC1 ZINC000423148466 466693474 /nfs/dbraw/zinc/69/34/74/466693474.db2.gz GCDFXBSOSKUDGC-VQTJNVASSA-N 2 0 343.515 2.398 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)C2(N3CCOCC3)CCC2)c1 ZINC000373150238 466708211 /nfs/dbraw/zinc/70/82/11/466708211.db2.gz DECXYCAYQJYGKZ-UHFFFAOYSA-N 2 0 345.487 2.009 10 0 EEAERP COc1cc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000423391924 466736611 /nfs/dbraw/zinc/73/66/11/466736611.db2.gz PUHZOHBYFLXBCC-NHYWBVRUSA-N 2 0 349.372 2.321 10 0 EEAERP COCC1(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423408511 466742075 /nfs/dbraw/zinc/74/20/75/466742075.db2.gz ORRHZKWTLKIXNL-GOSISDBHSA-N 2 0 346.450 2.254 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417032978 466759997 /nfs/dbraw/zinc/75/99/97/466759997.db2.gz FELUSQILUOUDKT-MJGOQNOKSA-N 2 0 336.524 2.284 10 0 EEAERP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423508340 466761486 /nfs/dbraw/zinc/76/14/86/466761486.db2.gz QOOVSPWUIXFZHX-RDTXWAMCSA-N 2 0 347.484 2.465 10 0 EEAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417087931 466776622 /nfs/dbraw/zinc/77/66/22/466776622.db2.gz IRTYDVJPZGHUOP-YJBOKZPZSA-N 2 0 344.503 2.121 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000417423411 466856582 /nfs/dbraw/zinc/85/65/82/466856582.db2.gz QSMLGURCCVGSHO-ZACQAIPSSA-N 2 0 346.475 2.118 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417656896 466901148 /nfs/dbraw/zinc/90/11/48/466901148.db2.gz VMTAHAJDIRITIW-RTBURBONSA-N 2 0 342.487 2.187 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)ccc1F ZINC000417660963 466901630 /nfs/dbraw/zinc/90/16/30/466901630.db2.gz ODYSKKSEVCVGKY-SFHVURJKSA-N 2 0 344.434 2.387 10 0 EEAERP CCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417728955 466918822 /nfs/dbraw/zinc/91/88/22/466918822.db2.gz BJUMBXVUDHNXOE-ZBFHGGJFSA-N 2 0 338.521 2.430 10 0 EEAERP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000417739571 466921796 /nfs/dbraw/zinc/92/17/96/466921796.db2.gz QEEVXICSYFHBQO-FMKPAKJESA-N 2 0 336.505 2.134 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@H]([NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000417819023 466944233 /nfs/dbraw/zinc/94/42/33/466944233.db2.gz GDXCZXAKXFKQQV-SFHVURJKSA-N 2 0 344.434 2.257 10 0 EEAERP C[N@H+](CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000417825775 466947917 /nfs/dbraw/zinc/94/79/17/466947917.db2.gz NNMKXESXEFBHJE-IBGZPJMESA-N 2 0 348.466 2.043 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000417931554 466989972 /nfs/dbraw/zinc/98/99/72/466989972.db2.gz LMGNXGZEUSNFCW-UHFFFAOYSA-N 2 0 336.524 2.282 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418139765 467056380 /nfs/dbraw/zinc/05/63/80/467056380.db2.gz WAWMRKDFZZEQTP-WWDZGPRUSA-N 2 0 334.508 2.034 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000418189629 467069997 /nfs/dbraw/zinc/06/99/97/467069997.db2.gz 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C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccnn2-c2ccccn2)C[C@@H](C)O1 ZINC000647184940 470852236 /nfs/dbraw/zinc/85/22/36/470852236.db2.gz JCWOLBFJJKGWDK-IAGOWNOFSA-N 2 0 343.475 2.246 10 0 EEAERP O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899302 471010560 /nfs/dbraw/zinc/01/05/60/471010560.db2.gz GAXXEKPAUIUSJF-AEFFLSMTSA-N 2 0 349.906 2.463 10 0 EEAERP C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899735 471010835 /nfs/dbraw/zinc/01/08/35/471010835.db2.gz UJFVSDSUZQLDIT-NXHRZFHOSA-N 2 0 327.472 2.428 10 0 EEAERP CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1cn2c(n1)CCCC2 ZINC000651197969 471085967 /nfs/dbraw/zinc/08/59/67/471085967.db2.gz HOVBXJWDFMPGIZ-UHFFFAOYSA-N 2 0 332.492 2.485 10 0 EEAERP Cn1ncc(Cl)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538093 471164018 /nfs/dbraw/zinc/16/40/18/471164018.db2.gz XYRCKJYADIMABL-UHFFFAOYSA-N 2 0 326.872 2.054 10 0 EEAERP Cn1ccnc1C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccccc1 ZINC000645180663 471167124 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VJEYZHJELDVMEB-INIZCTEOSA-N 2 0 332.492 2.279 10 0 EEAERP c1cc2c(cc1C[NH+]1CCC(c3nnc4n3CCC4)CC1)C[NH2+]CC2 ZINC000652338702 471274293 /nfs/dbraw/zinc/27/42/93/471274293.db2.gz QMQSBSKCQANVTH-UHFFFAOYSA-N 2 0 337.471 2.250 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@@H]2CCC[C@H]21 ZINC000658290129 471285673 /nfs/dbraw/zinc/28/56/73/471285673.db2.gz ARSFQVOOOGIAAL-NTZUZEMLSA-N 2 0 333.520 2.092 10 0 EEAERP C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CS1 ZINC000655709236 471452047 /nfs/dbraw/zinc/45/20/47/471452047.db2.gz ZRXUSENBUIXJAZ-YOEHRIQHSA-N 2 0 335.517 2.352 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000660759450 471474881 /nfs/dbraw/zinc/47/48/81/471474881.db2.gz BHUJBXITCJBTLB-CSNJMZFVSA-N 2 0 336.524 2.421 10 0 EEAERP C[C@@H](CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655923454 471542157 /nfs/dbraw/zinc/54/21/57/471542157.db2.gz YOZNWRVBFRNQQC-GXTWGEPZSA-N 2 0 346.397 2.086 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000659285661 471567201 /nfs/dbraw/zinc/56/72/01/471567201.db2.gz PUTLBYZMPCLBHW-APWZRJJASA-N 2 0 347.503 2.430 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000660959846 471568746 /nfs/dbraw/zinc/56/87/46/471568746.db2.gz RECFKEHODXCZSL-RCCFBDPRSA-N 2 0 330.476 2.215 10 0 EEAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000659349789 471588766 /nfs/dbraw/zinc/58/87/66/471588766.db2.gz JBSXMDFIYQODMX-QZTJIDSGSA-N 2 0 327.403 2.160 10 0 EEAERP FC(F)(F)c1cccnc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000666978603 471610447 /nfs/dbraw/zinc/61/04/47/471610447.db2.gz YBDJJOOVFBEDSW-UHFFFAOYSA-N 2 0 342.409 2.406 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659428698 471621710 /nfs/dbraw/zinc/62/17/10/471621710.db2.gz FTHJCLSUYUBYBH-UHFFFAOYSA-N 2 0 330.476 2.080 10 0 EEAERP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000659439707 471628857 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328.420 2.121 10 0 EEAERP CCN(C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000667325304 471736274 /nfs/dbraw/zinc/73/62/74/471736274.db2.gz WCKJNHVFGIYROG-OALUTQOASA-N 2 0 344.503 2.387 10 0 EEAERP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)C2)CC1 ZINC000661403396 471744701 /nfs/dbraw/zinc/74/47/01/471744701.db2.gz LAQYBNINBFYJFI-DLBZAZTESA-N 2 0 336.524 2.233 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664540009 471787856 /nfs/dbraw/zinc/78/78/56/471787856.db2.gz IASLATAAVAYEKW-RCCFBDPRSA-N 2 0 330.476 2.167 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)n1ccc(C)n1 ZINC000667811678 471916553 /nfs/dbraw/zinc/91/65/53/471916553.db2.gz SBZXHPCSYTWJGY-ZWKOTPCHSA-N 2 0 349.523 2.017 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000654343526 471920373 /nfs/dbraw/zinc/92/03/73/471920373.db2.gz FTECQOISERCNGH-UHOSZYNNSA-N 2 0 344.503 2.463 10 0 EEAERP 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685224600 /nfs/dbraw/zinc/22/46/00/685224600.db2.gz SORPPSZKVQUQRF-BHIYHBOVSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000897103968 686144652 /nfs/dbraw/zinc/14/46/52/686144652.db2.gz BYOHKEYBXKVYCI-DOTOQJQBSA-N 2 0 330.476 2.402 10 0 EEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924691720 693170250 /nfs/dbraw/zinc/17/02/50/693170250.db2.gz HEVLPERPJANTMK-ABSDTBQOSA-N 2 0 331.504 2.337 10 0 EEAERP C[N@H+](CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)C1CCC1 ZINC000899047743 693583963 /nfs/dbraw/zinc/58/39/63/693583963.db2.gz UKDNPARKLQTKPM-UHFFFAOYSA-N 2 0 335.839 2.134 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cnc(C)o1)C1CC1 ZINC001485815365 1191979335 /nfs/dbraw/zinc/97/93/35/1191979335.db2.gz ZKDIQEABNRPEKP-ROUUACIJSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC001266328189 1176307522 /nfs/dbraw/zinc/30/75/22/1176307522.db2.gz VZIIZRSXEIKOBB-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(Cl)n1)C1CC1)[NH+](C)C ZINC001266439898 1176537587 /nfs/dbraw/zinc/53/75/87/1176537587.db2.gz ZEUSEIISFCVSQP-HUUCEWRRSA-N 2 0 338.883 2.060 10 0 EEAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001266488402 1176623894 /nfs/dbraw/zinc/62/38/94/1176623894.db2.gz IQOSWVCMIAJOMP-VGOKWCNXSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1ncsc1C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488524 1176624640 /nfs/dbraw/zinc/62/46/40/1176624640.db2.gz KWOAOJHXJBPASL-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266614568 1176992998 /nfs/dbraw/zinc/99/29/98/1176992998.db2.gz JGOHECZUMXDARV-ZOBUZTSGSA-N 2 0 325.472 2.380 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C)nc2C)C1 ZINC001266813393 1177473139 /nfs/dbraw/zinc/47/31/39/1177473139.db2.gz PYLPMEOQQPBULE-IBGZPJMESA-N 2 0 346.519 2.368 10 0 EEAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001266841037 1177518608 /nfs/dbraw/zinc/51/86/08/1177518608.db2.gz KEGLZLWTSCNVQH-MOPGFXCFSA-N 2 0 329.488 2.180 10 0 EEAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCCN1CCOCC1 ZINC001691304505 1177867812 /nfs/dbraw/zinc/86/78/12/1177867812.db2.gz BUXCSUPSMYPNDY-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691304471 1177869648 /nfs/dbraw/zinc/86/96/48/1177869648.db2.gz BLYCQWNFDYYIBN-WMLDXEAASA-N 2 0 336.480 2.042 10 0 EEAERP Cc1conc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001691304470 1177870443 /nfs/dbraw/zinc/87/04/43/1177870443.db2.gz BLYCQWNFDYYIBN-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001267142642 1178317968 /nfs/dbraw/zinc/31/79/68/1178317968.db2.gz FSNZSGJSLDFTTM-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001267296793 1178704053 /nfs/dbraw/zinc/70/40/53/1178704053.db2.gz VNSLACLKMQYNKT-OAHLLOKOSA-N 2 0 344.459 2.287 10 0 EEAERP COCC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001267319850 1178749614 /nfs/dbraw/zinc/74/96/14/1178749614.db2.gz UXTXQNISVIPECS-SFHVURJKSA-N 2 0 345.503 2.062 10 0 EEAERP COc1cccc(/C=C\CC[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001480947111 1179089517 /nfs/dbraw/zinc/08/95/17/1179089517.db2.gz IPVIKBPUXUVAGL-GINYUPMKSA-N 2 0 345.487 2.098 10 0 EEAERP Cc1cc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C(C)C)sn1 ZINC001267514641 1179232088 /nfs/dbraw/zinc/23/20/88/1179232088.db2.gz QSWRWBIFXGATRZ-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP C[NH+]1CCC(C(=O)NCC[N@H+](CC2CC3(CCC3)C2)C2CC2)CC1 ZINC001481182372 1180015706 /nfs/dbraw/zinc/01/57/06/1180015706.db2.gz BRDLENGSZMPREX-UHFFFAOYSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)=CC[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267692766 1180178960 /nfs/dbraw/zinc/17/89/60/1180178960.db2.gz KQLGYHUXHMCTCC-GOSISDBHSA-N 2 0 325.472 2.213 10 0 EEAERP C[C@](C[NH2+]CCC(F)(F)F)(NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001267857314 1180641405 /nfs/dbraw/zinc/64/14/05/1180641405.db2.gz XYLIZAAXQITIQL-LALPHHSUSA-N 2 0 344.381 2.340 10 0 EEAERP C[NH+](C)CCOc1cc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccn1 ZINC000925629029 1180708904 /nfs/dbraw/zinc/70/89/04/1180708904.db2.gz KATCLNCGLXFHHJ-MOPGFXCFSA-N 2 0 346.519 2.280 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001481279872 1180759010 /nfs/dbraw/zinc/75/90/10/1180759010.db2.gz MKQMCJJHSJGRIJ-MRXNPFEDSA-N 2 0 329.488 2.454 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCC(F)(F)F)CC2)C1 ZINC001267919120 1180763962 /nfs/dbraw/zinc/76/39/62/1180763962.db2.gz PNPDXCWZUBJKEG-AWEZNQCLSA-N 2 0 335.414 2.109 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001267922613 1180769982 /nfs/dbraw/zinc/76/99/82/1180769982.db2.gz ZBDJRGFEWNPRIQ-SFHVURJKSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001268100817 1181746327 /nfs/dbraw/zinc/74/63/27/1181746327.db2.gz QKFCKEYQGZSUPI-CQSZACIVSA-N 2 0 339.430 2.040 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCOCC1CCC1)C12CCC[NH+]1CCC2 ZINC001671317799 1181795659 /nfs/dbraw/zinc/79/56/59/1181795659.db2.gz DKHOXCVBCPNTNZ-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001268160726 1181872828 /nfs/dbraw/zinc/87/28/28/1181872828.db2.gz LHHYRQNQEUJAFJ-RDJZCZTQSA-N 2 0 336.480 2.184 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268224576 1182036574 /nfs/dbraw/zinc/03/65/74/1182036574.db2.gz MAOSGEFTVONVAF-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001691500570 1182076563 /nfs/dbraw/zinc/07/65/63/1182076563.db2.gz RCHJPLNUTADVNB-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP O=C(Cc1ncc[nH]1)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001268287540 1182166335 /nfs/dbraw/zinc/16/63/35/1182166335.db2.gz HCXCWERIBMAEAN-WDEREUQCSA-N 2 0 331.247 2.146 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1)[NH+](CC)CC ZINC001481693195 1182223462 /nfs/dbraw/zinc/22/34/62/1182223462.db2.gz CQAIDESOJATCGN-IPMKNSEASA-N 2 0 347.503 2.031 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCN(Cc2cncs2)C1 ZINC001481697299 1182225504 /nfs/dbraw/zinc/22/55/04/1182225504.db2.gz YAMIYAYCMWYKCT-HNNXBMFYSA-N 2 0 336.505 2.100 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001268369312 1182355542 /nfs/dbraw/zinc/35/55/42/1182355542.db2.gz VEPCWTUYZTVMOE-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOc1cccc(C)c1 ZINC001481841140 1182775387 /nfs/dbraw/zinc/77/53/87/1182775387.db2.gz NPLDRCLJVCJZOA-MJGOQNOKSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]C/C(Cl)=C/Cl ZINC001481852027 1182803815 /nfs/dbraw/zinc/80/38/15/1182803815.db2.gz LQHZMKWCESOAPN-XYQILUHVSA-N 2 0 345.274 2.327 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001481876628 1182853153 /nfs/dbraw/zinc/85/31/53/1182853153.db2.gz WJHRTNXACJQEOF-UONOGXRCSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268482881 1182945746 /nfs/dbraw/zinc/94/57/46/1182945746.db2.gz ZRFSRHSFTQGPHU-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268485503 1182959741 /nfs/dbraw/zinc/95/97/41/1182959741.db2.gz FGDUJTVFHYEQPX-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001268520359 1183168380 /nfs/dbraw/zinc/16/83/80/1183168380.db2.gz CCXUJLPNAZIHPX-XETPZHMNSA-N 2 0 341.499 2.148 10 0 EEAERP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001482042696 1183213684 /nfs/dbraw/zinc/21/36/84/1183213684.db2.gz CMACHZHPECKMPG-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(F)cc1)C12CCC[NH+](CCC1)C2 ZINC001268555475 1183245941 /nfs/dbraw/zinc/24/59/41/1183245941.db2.gz JSLBZAXNCUZXBD-UPHRSURJSA-N 2 0 345.462 2.464 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001482057506 1183259989 /nfs/dbraw/zinc/25/99/89/1183259989.db2.gz JMVVYQMFWMXEQP-AEFFLSMTSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1)[NH+](C)C ZINC001268587288 1183384601 /nfs/dbraw/zinc/38/46/01/1183384601.db2.gz IEIRKIBVTIZSOK-ICWYTKJFSA-N 2 0 331.451 2.270 10 0 EEAERP COc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001482160361 1183484587 /nfs/dbraw/zinc/48/45/87/1183484587.db2.gz DOZBJKOAESYYGS-HOTGVXAUSA-N 2 0 345.487 2.194 10 0 EEAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001268621060 1183540236 /nfs/dbraw/zinc/54/02/36/1183540236.db2.gz YRAVIMPWQMVHKS-NFAHFFEMSA-N 2 0 325.403 2.067 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001268626018 1183550217 /nfs/dbraw/zinc/55/02/17/1183550217.db2.gz LVUGNGOXGAFEJS-ZGCPSCKPSA-N 2 0 327.472 2.304 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001268626016 1183550672 /nfs/dbraw/zinc/55/06/72/1183550672.db2.gz LVUGNGOXGAFEJS-JIFIUCCZSA-N 2 0 327.472 2.304 10 0 EEAERP C[C@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001268650884 1183580175 /nfs/dbraw/zinc/58/01/75/1183580175.db2.gz CAGGOXKHFYEOSJ-KGLIPLIRSA-N 2 0 330.432 2.088 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001268695286 1183617465 /nfs/dbraw/zinc/61/74/65/1183617465.db2.gz YERWVMPXUVYAKQ-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001268695285 1183617473 /nfs/dbraw/zinc/61/74/73/1183617473.db2.gz YERWVMPXUVYAKQ-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001268761448 1183681845 /nfs/dbraw/zinc/68/18/45/1183681845.db2.gz BLPGLSDRIZZYOS-JKSUJKDBSA-N 2 0 325.472 2.239 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268799676 1183715809 /nfs/dbraw/zinc/71/58/09/1183715809.db2.gz CMOZMZHCAXEXTM-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)[NH+](C)C ZINC001269793378 1184625521 /nfs/dbraw/zinc/62/55/21/1184625521.db2.gz YWWLRIJPJMAYMU-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269798814 1184627917 /nfs/dbraw/zinc/62/79/17/1184627917.db2.gz OPSNMWPMKDHZOA-GOSISDBHSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)c(C)n1 ZINC001482244669 1184641532 /nfs/dbraw/zinc/64/15/32/1184641532.db2.gz CFWGPELHWFFMIB-UHFFFAOYSA-N 2 0 344.503 2.075 10 0 EEAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001269990828 1184771735 /nfs/dbraw/zinc/77/17/35/1184771735.db2.gz CUVBCBJEUBGXOG-BQFCYCMXSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364257 1185518493 /nfs/dbraw/zinc/51/84/93/1185518493.db2.gz GBIGIDUJYSIHIP-GOSISDBHSA-N 2 0 331.504 2.460 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001482429546 1185688589 /nfs/dbraw/zinc/68/85/89/1185688589.db2.gz QYVDNIMOYPBCLG-MAUKXSAKSA-N 2 0 335.467 2.434 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCCC1 ZINC001271353847 1186157431 /nfs/dbraw/zinc/15/74/31/1186157431.db2.gz KOHOPOZLNGGDFF-FSNWXROXSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001271445549 1186231650 /nfs/dbraw/zinc/23/16/50/1186231650.db2.gz DMQQMKSPSUGYOE-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncsc1C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001271576797 1186319247 /nfs/dbraw/zinc/31/92/47/1186319247.db2.gz PDRMDHLICWEXHH-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1conc1CN1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272043003 1187236241 /nfs/dbraw/zinc/23/62/41/1187236241.db2.gz JWPWDYDEOWHJDK-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482833739 1187753000 /nfs/dbraw/zinc/75/30/00/1187753000.db2.gz KUVLRCHWDMGMMH-YXJHDRRASA-N 2 0 349.523 2.097 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482833738 1187753240 /nfs/dbraw/zinc/75/32/40/1187753240.db2.gz KUVLRCHWDMGMMH-QGPMSJSTSA-N 2 0 349.523 2.097 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001482838494 1187757547 /nfs/dbraw/zinc/75/75/47/1187757547.db2.gz CGMGUWGJEIWKLQ-CYBMUJFWSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482870229 1187789736 /nfs/dbraw/zinc/78/97/36/1187789736.db2.gz AQDVACBLTRYQLT-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001483012268 1187994661 /nfs/dbraw/zinc/99/46/61/1187994661.db2.gz SXWZCQFNFYEION-PHXNAMCJSA-N 2 0 327.472 2.099 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC1CCOCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001483022927 1188012908 /nfs/dbraw/zinc/01/29/08/1188012908.db2.gz IODHTFRCUHPSDR-XVXNLHAJSA-N 2 0 349.519 2.082 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001691554840 1188259493 /nfs/dbraw/zinc/25/94/93/1188259493.db2.gz WKUCMRCUGNBMLB-FGTMMUONSA-N 2 0 339.499 2.413 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001483046882 1188259668 /nfs/dbraw/zinc/25/96/68/1188259668.db2.gz IRFRIDWIMZCNPS-NVFZZLLCSA-N 2 0 348.318 2.317 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001483071869 1188422833 /nfs/dbraw/zinc/42/28/33/1188422833.db2.gz YDQYRFYDXHZFON-NSCUHMNNSA-N 2 0 329.435 2.026 10 0 EEAERP COCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691626311 1188734551 /nfs/dbraw/zinc/73/45/51/1188734551.db2.gz ZNZIEHIGIYWPLT-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001483143379 1188744581 /nfs/dbraw/zinc/74/45/81/1188744581.db2.gz AZJIMGZIVYZLQN-JSNVTFDYSA-N 2 0 327.472 2.423 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCc3nccn3C2)c1 ZINC001272874562 1193587648 /nfs/dbraw/zinc/58/76/48/1193587648.db2.gz XANUQPPTRGYVET-SJLPKXTDSA-N 2 0 340.471 2.439 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001409348148 1189559214 /nfs/dbraw/zinc/55/92/14/1189559214.db2.gz GJEXQIFBHAZARC-GJZGRUSLSA-N 2 0 349.523 2.056 10 0 EEAERP C[C@@H](NC(=O)c1cnn(-c2ccncc2)c1)[C@H](C)[NH2+]C/C=C/Cl ZINC001409352648 1189562984 /nfs/dbraw/zinc/56/29/84/1189562984.db2.gz ACBKHGHLARBRIO-SLEPRMHMSA-N 2 0 333.823 2.116 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001409386278 1189607419 /nfs/dbraw/zinc/60/74/19/1189607419.db2.gz QCJYXGLJFZCYSC-HOTGVXAUSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001409421717 1189652443 /nfs/dbraw/zinc/65/24/43/1189652443.db2.gz GKHPYYPGMXEAJL-IRXDYDNUSA-N 2 0 346.519 2.493 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2cncn2C)c1 ZINC001409455346 1189704594 /nfs/dbraw/zinc/70/45/94/1189704594.db2.gz HTZCFVLLLCOQML-LSDHHAIUSA-N 2 0 344.459 2.044 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001485914591 1193638540 /nfs/dbraw/zinc/63/85/40/1193638540.db2.gz MLAAKBWALPCBGE-IPYPFGDCSA-N 2 0 331.451 2.199 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F)[NH+](C)C ZINC001485947733 1193645085 /nfs/dbraw/zinc/64/50/85/1193645085.db2.gz RMYTZPUJPSCLIA-GUYCJALGSA-N 2 0 341.446 2.488 10 0 EEAERP CON1CC[C@@H](NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000905755060 1189911112 /nfs/dbraw/zinc/91/11/12/1189911112.db2.gz JWXPELMTNMIKFN-JTDSTZFVSA-N 2 0 345.487 2.416 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001485944036 1193653880 /nfs/dbraw/zinc/65/38/80/1193653880.db2.gz JPGRZRTWRIGGNL-GJZGRUSLSA-N 2 0 333.451 2.419 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CCOCC1 ZINC001409651502 1190150885 /nfs/dbraw/zinc/15/08/85/1190150885.db2.gz WZUVOZBZNKGYIQ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406779 1190452310 /nfs/dbraw/zinc/45/23/10/1190452310.db2.gz GMEOYWWNRGYBNS-HNNXBMFYSA-N 2 0 333.451 2.166 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483484114 1190503345 /nfs/dbraw/zinc/50/33/45/1190503345.db2.gz IWWXLWWHOSHIGG-QZTJIDSGSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cnc2cc(C(=O)N3CC[C@@H]([NH2+]CCOC(C)C)[C@H]3C)ccn12 ZINC001486077953 1193681915 /nfs/dbraw/zinc/68/19/15/1193681915.db2.gz CFUCUCGLSSIMDU-NVXWUHKLSA-N 2 0 344.459 2.260 10 0 EEAERP CCc1nocc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001483562239 1190551443 /nfs/dbraw/zinc/55/14/43/1190551443.db2.gz ZPNJQYAPKAYHKG-MSOLQXFVSA-N 2 0 348.491 2.094 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC001483606225 1190584599 /nfs/dbraw/zinc/58/45/99/1190584599.db2.gz BSTQWNZTBXLXGU-QGZVFWFLSA-N 2 0 339.430 2.289 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC001483618727 1190598165 /nfs/dbraw/zinc/59/81/65/1190598165.db2.gz PICGEWXNSYIIIX-NVXWUHKLSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]Cc3cscn3)CCCCC2)C1 ZINC001409792201 1190623465 /nfs/dbraw/zinc/62/34/65/1190623465.db2.gz SDJVCFVXCLIQNL-AWEZNQCLSA-N 2 0 336.505 2.004 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001484354507 1191315940 /nfs/dbraw/zinc/31/59/40/1191315940.db2.gz ZEKLJBDGSKJOIU-JKSUJKDBSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(CC[NH2+]CC2CC2)Cc2ccccc2)C1 ZINC001484400632 1191334862 /nfs/dbraw/zinc/33/48/62/1191334862.db2.gz YBOMAMGKYJYWRD-QGZVFWFLSA-N 2 0 329.488 2.357 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001484467263 1191371396 /nfs/dbraw/zinc/37/13/96/1191371396.db2.gz DYNRSXZDPUDNBY-RBUKOAKNSA-N 2 0 344.503 2.296 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2nocc2C)C1 ZINC001484523110 1191397284 /nfs/dbraw/zinc/39/72/84/1191397284.db2.gz PLXBCRBMBBOYNP-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001484543624 1191403267 /nfs/dbraw/zinc/40/32/67/1191403267.db2.gz OCQQEXPVUBNHQW-AKDFZNLCSA-N 2 0 327.900 2.299 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001484543630 1191403273 /nfs/dbraw/zinc/40/32/73/1191403273.db2.gz OCQQEXPVUBNHQW-MPUHIQPUSA-N 2 0 327.900 2.299 10 0 EEAERP C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001484563491 1191418541 /nfs/dbraw/zinc/41/85/41/1191418541.db2.gz OXJVRHHGWOLSPK-SJLPKXTDSA-N 2 0 345.487 2.086 10 0 EEAERP CC(C)(C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)[NH+]1CCCC1 ZINC001484645082 1191452025 /nfs/dbraw/zinc/45/20/25/1191452025.db2.gz CLAJLKXMQGRPGK-UHFFFAOYSA-N 2 0 335.414 2.442 10 0 EEAERP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819144 1191539231 /nfs/dbraw/zinc/53/92/31/1191539231.db2.gz IACODPUSPRBPOA-LWUPOJRFSA-N 2 0 327.900 2.442 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCOCC1 ZINC001484870494 1191556057 /nfs/dbraw/zinc/55/60/57/1191556057.db2.gz FURHHSHLIMIARK-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]C/C(Cl)=C/Cl)C2)C1 ZINC001484876762 1191559864 /nfs/dbraw/zinc/55/98/64/1191559864.db2.gz XOWHZDSJOGNBLD-DOOVCASASA-N 2 0 334.291 2.228 10 0 EEAERP CO[C@H](C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001484920391 1191575830 /nfs/dbraw/zinc/57/58/30/1191575830.db2.gz ASNYFHWPLHRNDW-GOSISDBHSA-N 2 0 347.503 2.297 10 0 EEAERP CC(C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485006421 1191612745 /nfs/dbraw/zinc/61/27/45/1191612745.db2.gz SEVSQYHMGZEVAG-QFBILLFUSA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485186099 1191681371 /nfs/dbraw/zinc/68/13/71/1191681371.db2.gz MSDLEKUFLORTBU-CABCVRRESA-N 2 0 342.487 2.493 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485206253 1191693277 /nfs/dbraw/zinc/69/32/77/1191693277.db2.gz IIPSJCHKAVOTIG-STQMWFEESA-N 2 0 326.872 2.060 10 0 EEAERP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001485209983 1191694621 /nfs/dbraw/zinc/69/46/21/1191694621.db2.gz LUQHYFTYRLRENT-IAGOWNOFSA-N 2 0 347.503 2.089 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485228918 1191698301 /nfs/dbraw/zinc/69/83/01/1191698301.db2.gz FZQOQGSUCRKRJO-DLBZAZTESA-N 2 0 332.492 2.249 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001485229438 1191698941 /nfs/dbraw/zinc/69/89/41/1191698941.db2.gz YLCOPEXINBYCAN-KBPBESRZSA-N 2 0 331.451 2.391 10 0 EEAERP CCc1nocc1CN(C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485301267 1191725976 /nfs/dbraw/zinc/72/59/76/1191725976.db2.gz VDZMHAQWWVDYLC-PBHICJAKSA-N 2 0 336.480 2.046 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001486221551 1193759214 /nfs/dbraw/zinc/75/92/14/1193759214.db2.gz TUHBBKHLZVVLMG-ZWKOTPCHSA-N 2 0 347.503 2.410 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]Cc2nccs2)C(C)(C)C)C1 ZINC001486419723 1193932812 /nfs/dbraw/zinc/93/28/12/1193932812.db2.gz IDCRPOLOJIXFKG-UONOGXRCSA-N 2 0 338.521 2.105 10 0 EEAERP Cc1oncc1C[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001486437688 1193956820 /nfs/dbraw/zinc/95/68/20/1193956820.db2.gz GHNCKNJPQABSIZ-CQSZACIVSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@@]12CN(C(=O)[C@@]3(C)CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702056871 1195712140 /nfs/dbraw/zinc/71/21/40/1195712140.db2.gz WGFXJNNEVBQQTO-SESVDKBCSA-N 2 0 341.499 2.357 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CCO2)cc1 ZINC001410162772 1197576433 /nfs/dbraw/zinc/57/64/33/1197576433.db2.gz WWPDMNIBHACDFR-HKUYNNGSSA-N 2 0 347.503 2.041 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001410252980 1197636629 /nfs/dbraw/zinc/63/66/29/1197636629.db2.gz XZFQSXLNLUFNGM-MSOLQXFVSA-N 2 0 332.492 2.186 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001410390759 1197790376 /nfs/dbraw/zinc/79/03/76/1197790376.db2.gz XFQVLGVJHDUCSK-IIDMSEBBSA-N 2 0 342.487 2.445 10 0 EEAERP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000872146850 1198053881 /nfs/dbraw/zinc/05/38/81/1198053881.db2.gz ZFBDBRUMHGVWMK-KURKYZTESA-N 2 0 339.524 2.027 10 0 EEAERP CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157714 1198062816 /nfs/dbraw/zinc/06/28/16/1198062816.db2.gz PVUPHRRTSIHVDG-RDJZCZTQSA-N 2 0 330.538 2.431 10 0 EEAERP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872287909 1198130450 /nfs/dbraw/zinc/13/04/50/1198130450.db2.gz GGHCNULUZXKSBN-AGRFSFNASA-N 2 0 341.499 2.313 10 0 EEAERP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000872297528 1198135201 /nfs/dbraw/zinc/13/52/01/1198135201.db2.gz OUILEZXMCHDZMA-HNAWSFBYSA-N 2 0 343.471 2.076 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000865700513 1198337112 /nfs/dbraw/zinc/33/71/12/1198337112.db2.gz KSTZMLUNMRRUQA-ZWKOTPCHSA-N 2 0 333.476 2.320 10 0 EEAERP Cc1nc2ccccc2nc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012822 1198454339 /nfs/dbraw/zinc/45/43/39/1198454339.db2.gz RIMDSQZFFJHKMW-HZPDHXFCSA-N 2 0 327.476 2.114 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](Cc1ccccn1)CC2 ZINC001410904062 1198561665 /nfs/dbraw/zinc/56/16/65/1198561665.db2.gz KZEMIGLQLACJDH-MJGOQNOKSA-N 2 0 330.476 2.037 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001410909249 1198574633 /nfs/dbraw/zinc/57/46/33/1198574633.db2.gz CUGWXVMXKOAWME-XVOUWEARSA-N 2 0 337.895 2.051 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]2C1 ZINC001410924234 1198587899 /nfs/dbraw/zinc/58/78/99/1198587899.db2.gz MMSAAAQBLIVBPY-VEEPAONSSA-N 2 0 348.318 2.474 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001410998050 1198674471 /nfs/dbraw/zinc/67/44/71/1198674471.db2.gz ANZGVMPUSAIBHS-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1ccncc1C[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001411240727 1198958620 /nfs/dbraw/zinc/95/86/20/1198958620.db2.gz ZPFOAYKWMVQOMI-KRWDZBQOSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428339 1199185798 /nfs/dbraw/zinc/18/57/98/1199185798.db2.gz WKIMBOGBLUUCME-HUUCEWRRSA-N 2 0 336.867 2.130 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810194519 1199347014 /nfs/dbraw/zinc/34/70/14/1199347014.db2.gz DJVYGKGQSKYDLR-IIDMSEBBSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1ccc(C[C@@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870021780 1200411516 /nfs/dbraw/zinc/41/15/16/1200411516.db2.gz KNDKLAPSAXCWNE-MISYRCLQSA-N 2 0 345.531 2.371 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)C[C@H]1C[NH+](C)C ZINC000870020620 1200411539 /nfs/dbraw/zinc/41/15/39/1200411539.db2.gz DRUKQYWMMMTGIU-HUUCEWRRSA-N 2 0 347.434 2.383 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c3cccc(F)c23)C[C@H]1C[NH+](C)C ZINC000870021135 1200411883 /nfs/dbraw/zinc/41/18/83/1200411883.db2.gz AWTXHZPTHKSGQA-ZIAGYGMSSA-N 2 0 346.450 2.118 10 0 EEAERP Cc1cc(C)cc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870020697 1200412043 /nfs/dbraw/zinc/41/20/43/1200412043.db2.gz SOCXXEGQUZMZOX-WOJBJXKFSA-N 2 0 345.531 2.434 10 0 EEAERP COc1ccc([C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH+]2CCCC2)cc1 ZINC000870853397 1200911834 /nfs/dbraw/zinc/91/18/34/1200911834.db2.gz AYFOZWCGDQFFLX-HNAWSFBYSA-N 2 0 343.471 2.076 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCCC1 ZINC000870853952 1200912850 /nfs/dbraw/zinc/91/28/50/1200912850.db2.gz JJYQBKMLBYIUDE-RPWFAHAXSA-N 2 0 343.471 2.076 10 0 EEAERP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866665670 1201573990 /nfs/dbraw/zinc/57/39/90/1201573990.db2.gz HYNQQAXTIGYDTJ-CHWSQXEVSA-N 2 0 341.297 2.394 10 0 EEAERP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(OC)C2=O)CC1)CC(C)C ZINC000930180767 1202204417 /nfs/dbraw/zinc/20/44/17/1202204417.db2.gz ZXNDGLXDTIVXJI-QGZVFWFLSA-N 2 0 325.497 2.229 10 0 EEAERP COCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001671091867 1202362411 /nfs/dbraw/zinc/36/24/11/1202362411.db2.gz XLMUCTZPZPYMKS-IBGZPJMESA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CC[C@H](C4CC4)O3)CC2)CC1 ZINC000886252263 1202484721 /nfs/dbraw/zinc/48/47/21/1202484721.db2.gz YPBOHOQKLUMFSM-WOJBJXKFSA-N 2 0 335.536 2.436 10 0 EEAERP C[C@H]1CCCN(C(=O)CCn2ccnc2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001691729009 1204240969 /nfs/dbraw/zinc/24/09/69/1204240969.db2.gz VKQJINAYNRNQLH-DOTOQJQBSA-N 2 0 345.447 2.068 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cc(F)ccc1F)C12CCC[NH+]1CCC2 ZINC001274162330 1204420734 /nfs/dbraw/zinc/42/07/34/1204420734.db2.gz LLPUGVYQGJAURM-OWOJBTEDSA-N 2 0 349.425 2.355 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001274296678 1204988453 /nfs/dbraw/zinc/98/84/53/1204988453.db2.gz FMTFXCCYUKDKET-DZGCQCFKSA-N 2 0 338.883 2.012 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001274578678 1205086004 /nfs/dbraw/zinc/08/60/04/1205086004.db2.gz MBJVQZXSXNJBRM-JROGSOPMSA-N 2 0 327.472 2.278 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001274633158 1205106361 /nfs/dbraw/zinc/10/63/61/1205106361.db2.gz FVXKSCAFNSDYBL-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001275243433 1205289605 /nfs/dbraw/zinc/28/96/05/1205289605.db2.gz SOSXMDQKCCJQQQ-DQPZFDDXSA-N 2 0 337.533 2.361 10 0 EEAERP CCN1CC[C@@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605529 1205448935 /nfs/dbraw/zinc/44/89/35/1205448935.db2.gz XISXLFSCMZSVMU-SJORKVTESA-N 2 0 331.460 2.043 10 0 EEAERP CN(CCC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275916244 1205586307 /nfs/dbraw/zinc/58/63/07/1205586307.db2.gz VUXVIVRNTJTCDB-AWEZNQCLSA-N 2 0 336.480 2.004 10 0 EEAERP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001275977211 1205614594 /nfs/dbraw/zinc/61/45/94/1205614594.db2.gz OBUJKJVUTQDEHP-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001276058156 1205755973 /nfs/dbraw/zinc/75/59/73/1205755973.db2.gz SEVOMCODICHCIN-INIZCTEOSA-N 2 0 340.537 2.284 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001276070484 1205759911 /nfs/dbraw/zinc/75/99/11/1205759911.db2.gz HINRWBJJTSIQMX-HKUYNNGSSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276075671 1205762557 /nfs/dbraw/zinc/76/25/57/1205762557.db2.gz BHNZXCUCRLUIOT-MRXNPFEDSA-N 2 0 338.521 2.182 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001412666547 1205819759 /nfs/dbraw/zinc/81/97/59/1205819759.db2.gz WUJWEHJLJIOOOB-BPQIPLTHSA-N 2 0 333.451 2.200 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)CC1 ZINC000925041387 1206064597 /nfs/dbraw/zinc/06/45/97/1206064597.db2.gz NZDHDJDETDURTK-DYVFJYSZSA-N 2 0 334.895 2.480 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000925324561 1206097129 /nfs/dbraw/zinc/09/71/29/1206097129.db2.gz NHTGNNPNULQXRU-ZHALLVOQSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CO[C@H]1C ZINC000925439102 1206111808 /nfs/dbraw/zinc/11/18/08/1206111808.db2.gz QWARQLZOWNESOO-BXWFABGCSA-N 2 0 345.487 2.025 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925479019 1206117685 /nfs/dbraw/zinc/11/76/85/1206117685.db2.gz PRTLFHIPGFROGU-HSALFYBXSA-N 2 0 345.531 2.426 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)[C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000925768604 1206152048 /nfs/dbraw/zinc/15/20/48/1206152048.db2.gz KJDILDLXQGOYMU-ARFHVFGLSA-N 2 0 326.481 2.103 10 0 EEAERP O=C1O[C@H](C[NH2+][C@H]2CCSc3ccccc32)CC12CC[NH2+]CC2 ZINC000925850455 1206160404 /nfs/dbraw/zinc/16/04/04/1206160404.db2.gz ASCAHJLFSFXTRA-ZFWWWQNUSA-N 2 0 332.469 2.498 10 0 EEAERP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851535 1206161018 /nfs/dbraw/zinc/16/10/18/1206161018.db2.gz FZFXXKAWEYXZCM-GJZGRUSLSA-N 2 0 332.444 2.340 10 0 EEAERP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858952 1206162229 /nfs/dbraw/zinc/16/22/29/1206162229.db2.gz XBEMKEGQEXAHIB-GJZGRUSLSA-N 2 0 332.444 2.421 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1(C)C ZINC000926358489 1206215496 /nfs/dbraw/zinc/21/54/96/1206215496.db2.gz ZRLDGXVBOCUCOQ-HKUYNNGSSA-N 2 0 330.520 2.408 10 0 EEAERP CC[N@H+](C[C@@H](O)C1(O)CCCC1)CC1CCN(c2ccccn2)CC1 ZINC000929754305 1206498371 /nfs/dbraw/zinc/49/83/71/1206498371.db2.gz MGNUCQZHGPLBGW-GOSISDBHSA-N 2 0 347.503 2.286 10 0 EEAERP O[C@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1(O)CCCC1 ZINC000930456024 1206559210 /nfs/dbraw/zinc/55/92/10/1206559210.db2.gz DBSGLNQFAUVRLO-UXHICEINSA-N 2 0 344.499 2.250 10 0 EEAERP COc1cccc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)c1C ZINC001276332923 1215754223 /nfs/dbraw/zinc/75/42/23/1215754223.db2.gz LJJYTANOJIJRJW-UHFFFAOYSA-N 2 0 345.487 2.038 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC001412939998 1216136946 /nfs/dbraw/zinc/13/69/46/1216136946.db2.gz KLBSHCMESGOZIP-ROUUACIJSA-N 2 0 329.488 2.450 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902745814 1238382308 /nfs/dbraw/zinc/38/23/08/1238382308.db2.gz WKNZLQUQMLFWNR-HKUYNNGSSA-N 2 0 331.504 2.243 10 0 EEAERP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)CN1CC[NH+](C)CC1 ZINC000902789182 1238534551 /nfs/dbraw/zinc/53/45/51/1238534551.db2.gz DESRDZFJLLXCMU-MSOLQXFVSA-N 2 0 341.503 2.406 10 0 EEAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902948525 1239163790 /nfs/dbraw/zinc/16/37/90/1239163790.db2.gz SYAIMIHHFBBRRV-XHCJJCCMSA-N 2 0 342.483 2.156 10 0 EEAERP C[C@]1([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)COC(=O)N1 ZINC000903560924 1240943725 /nfs/dbraw/zinc/94/37/25/1240943725.db2.gz DONWWUYODAWKSH-IEBWSBKVSA-N 2 0 329.444 2.043 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCOc2cccc(C)c2)cnn1C ZINC000903875823 1242275441 /nfs/dbraw/zinc/27/54/41/1242275441.db2.gz COJSRYDIVIFRRW-KRWDZBQOSA-N 2 0 330.476 2.165 10 0 EEAERP CCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000903897423 1242382571 /nfs/dbraw/zinc/38/25/71/1242382571.db2.gz YYFCGBFIRSDDQZ-DDBAPUKQSA-N 2 0 347.507 2.228 10 0 EEAERP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)C12CCC2 ZINC000903899526 1242396626 /nfs/dbraw/zinc/39/66/26/1242396626.db2.gz SXUYYRNLIVJJHW-BPQIPLTHSA-N 2 0 334.508 2.125 10 0 EEAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903924918 1242518386 /nfs/dbraw/zinc/51/83/86/1242518386.db2.gz KKIDHAATTIYFQR-SFHVURJKSA-N 3 0 348.539 2.050 10 0 EEAERP COC(=O)c1cnc(CC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)s1 ZINC000903939996 1242603433 /nfs/dbraw/zinc/60/34/33/1242603433.db2.gz SOCUXVQKILHSEV-KRWDZBQOSA-N 2 0 337.489 2.184 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000903977714 1242828606 /nfs/dbraw/zinc/82/86/06/1242828606.db2.gz XFEGREWNPMRCSQ-QKLQHJQFSA-N 2 0 344.455 2.188 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379413 1243331119 /nfs/dbraw/zinc/33/11/19/1243331119.db2.gz FGJCEMMHZKGTGO-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000827366078 1247957017 /nfs/dbraw/zinc/95/70/17/1247957017.db2.gz YXHTZFDWEBMXQQ-IUODEOHRSA-N 2 0 338.883 2.281 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001490925005 1258486611 /nfs/dbraw/zinc/48/66/11/1258486611.db2.gz WKBFMXTVPWDISR-PBFPGSCMSA-N 2 0 337.414 2.141 10 0 EEAERP CCc1onc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490957799 1258508694 /nfs/dbraw/zinc/50/86/94/1258508694.db2.gz DGRPHIRKSAFDRJ-WKILWMFISA-N 2 0 348.491 2.158 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001491069688 1258636539 /nfs/dbraw/zinc/63/65/39/1258636539.db2.gz LXCGABZJAUKULX-WCXIOVBPSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001491297906 1258922095 /nfs/dbraw/zinc/92/20/95/1258922095.db2.gz AQNDODOVRRNAOT-MSOLQXFVSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1nc(F)ccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357516 1277196975 /nfs/dbraw/zinc/19/69/75/1277196975.db2.gz MDTQUOCPGKHBLS-GOSISDBHSA-N 2 0 329.419 2.386 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554001 1279769933 /nfs/dbraw/zinc/76/99/33/1279769933.db2.gz DWFXCNWXAPKCQZ-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCC(C)C)[C@@H]1C ZINC001489270012 1290496819 /nfs/dbraw/zinc/49/68/19/1290496819.db2.gz KSBAKTVCZFHORQ-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP CCCCOCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001490416134 1291326961 /nfs/dbraw/zinc/32/69/61/1291326961.db2.gz KPJJBHLTVPIPJX-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001490728095 1291613718 /nfs/dbraw/zinc/61/37/18/1291613718.db2.gz JNVSGRBLGVTVKS-SFHVURJKSA-N 2 0 331.504 2.457 10 0 EEAERP CC(C)n1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001490770646 1291710543 /nfs/dbraw/zinc/71/05/43/1291710543.db2.gz DPJWIYNDRNQYRF-KRWDZBQOSA-N 2 0 349.523 2.086 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn[nH]c3)C2)ccn1 ZINC000856560098 1293567596 /nfs/dbraw/zinc/56/75/96/1293567596.db2.gz VPBAZSNTXYVWOA-GOSISDBHSA-N 2 0 329.448 2.298 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)CC[NH2+]CC1 ZINC000857253576 1293773048 /nfs/dbraw/zinc/77/30/48/1293773048.db2.gz OURNMHHATZLMHM-NEPJUHHUSA-N 2 0 337.291 2.481 10 0 EEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1cn(C)nn1 ZINC000859250940 1294364080 /nfs/dbraw/zinc/36/40/80/1294364080.db2.gz RJTSHMMUNOUNRN-MNZLEMJZSA-N 2 0 327.476 2.104 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000859622796 1294555801 /nfs/dbraw/zinc/55/58/01/1294555801.db2.gz OPSGOMBTHVPVPD-ZWKOTPCHSA-N 2 0 345.491 2.091 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000860311003 1294923419 /nfs/dbraw/zinc/92/34/19/1294923419.db2.gz XYHVEMZMBIIKOJ-SFHVURJKSA-N 2 0 345.491 2.044 10 0 EEAERP CC[C@@H](c1ccccc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549942 1296329497 /nfs/dbraw/zinc/32/94/97/1296329497.db2.gz VAQVTPQNENIPML-KSZLIROESA-N 2 0 329.444 2.395 10 0 EEAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)CO ZINC000926855198 1296942187 /nfs/dbraw/zinc/94/21/87/1296942187.db2.gz IQRTWIZAZLQTPH-KRWDZBQOSA-N 2 0 334.504 2.400 10 0 EEAERP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)no1 ZINC001277280271 1302159037 /nfs/dbraw/zinc/15/90/37/1302159037.db2.gz OJNCBCUALCGNTG-DZKIICNBSA-N 2 0 336.480 2.088 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362940 1302658258 /nfs/dbraw/zinc/65/82/58/1302658258.db2.gz OPWSXIJEJBBHDE-QAPCUYQASA-N 2 0 347.507 2.034 10 0 EEAERP CCc1ccccc1CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277822875 1304668791 /nfs/dbraw/zinc/66/87/91/1304668791.db2.gz GVTPXXHKJZVSHO-PMACEKPBSA-N 2 0 343.515 2.466 10 0 EEAERP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841021046 1315456859 /nfs/dbraw/zinc/45/68/59/1315456859.db2.gz YNAUNDAWKLBYFM-MPGHIAIKSA-N 2 0 331.460 2.486 10 0 EEAERP C1C[C@H]2SCCS[C@@H]2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088223 1315472052 /nfs/dbraw/zinc/47/20/52/1315472052.db2.gz ZGLRJNOOSMZZAP-SWHNLWLKSA-N 2 0 341.590 2.172 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841771898 1315611005 /nfs/dbraw/zinc/61/10/05/1315611005.db2.gz ZSVXUZMVCAMRGI-UHFFFAOYSA-N 2 0 332.492 2.109 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001278571370 1317258678 /nfs/dbraw/zinc/25/86/78/1317258678.db2.gz FSGRVXDWNVNKEM-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001263920954 1322554589 /nfs/dbraw/zinc/55/45/89/1322554589.db2.gz BACTXRIWPBHQBC-RCCFBDPRSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001264039529 1322596608 /nfs/dbraw/zinc/59/66/08/1322596608.db2.gz WNJUYEDNRYGQSU-UONOGXRCSA-N 2 0 337.430 2.355 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001264656058 1322768009 /nfs/dbraw/zinc/76/80/09/1322768009.db2.gz ZOZVSWSZRYQPTF-GUDHTMSVSA-N 2 0 331.504 2.219 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001264681786 1322782098 /nfs/dbraw/zinc/78/20/98/1322782098.db2.gz JGYUPEDWFCCLJB-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265088755 1322914608 /nfs/dbraw/zinc/91/46/08/1322914608.db2.gz FSSCUZYWKCNWMI-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cc(C)no1 ZINC001265126746 1322935288 /nfs/dbraw/zinc/93/52/88/1322935288.db2.gz WQQHNNQSRGEAOH-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(NC1CCC([NH2+]CCOCC2CC2)CC1)C12CCC[NH+]1CCC2 ZINC001265737765 1323357500 /nfs/dbraw/zinc/35/75/00/1323357500.db2.gz WZEPDXPROLFWQS-UHFFFAOYSA-N 2 0 349.519 2.058 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001265909753 1323478087 /nfs/dbraw/zinc/47/80/87/1323478087.db2.gz DQWVESHUUYCCCC-AEFFLSMTSA-N 2 0 339.524 2.257 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001266029434 1323580320 /nfs/dbraw/zinc/58/03/20/1323580320.db2.gz QJNLKSOXADJQQC-OWLMHDBPSA-N 2 0 339.911 2.299 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1conc1C ZINC001266042770 1323592397 /nfs/dbraw/zinc/59/23/97/1323592397.db2.gz OKKCYLRTTYRCBS-QGZVFWFLSA-N 2 0 336.480 2.184 10 0 EEAERP COCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266063628 1323617961 /nfs/dbraw/zinc/61/79/61/1323617961.db2.gz MATRPGXCCVPUNP-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP Cc1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)no1 ZINC001266076148 1323631895 /nfs/dbraw/zinc/63/18/95/1323631895.db2.gz WGMFEKPWJXBIQK-HOTGVXAUSA-N 2 0 336.480 2.232 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ocnc1C)C1CC1 ZINC001266174525 1323741646 /nfs/dbraw/zinc/74/16/46/1323741646.db2.gz LATXXVKEQLUKBA-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccon1)[NH+](C)C ZINC001266231597 1323811867 /nfs/dbraw/zinc/81/18/67/1323811867.db2.gz LYFGBOLXPYMEHL-DLBZAZTESA-N 2 0 336.480 2.122 10 0 EEAERP CC(C)=CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001281240418 1324913468 /nfs/dbraw/zinc/91/34/68/1324913468.db2.gz WNFQATHKPUVJRF-KRWDZBQOSA-N 2 0 337.508 2.082 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCOC)CC1(C)C ZINC001281568760 1325296578 /nfs/dbraw/zinc/29/65/78/1325296578.db2.gz XWHIFNJUHGJPMM-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCc2cccs2)C2CC2)C1 ZINC001276687429 1325353088 /nfs/dbraw/zinc/35/30/88/1325353088.db2.gz RSCPBBNPTAFXCY-WMLDXEAASA-N 2 0 335.517 2.117 10 0 EEAERP CCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001282781629 1325785093 /nfs/dbraw/zinc/78/50/93/1325785093.db2.gz MNCPDAZEDYITLN-LJQANCHMSA-N 2 0 339.524 2.212 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001283052036 1325901461 /nfs/dbraw/zinc/90/14/61/1325901461.db2.gz HWNUQOZIOAOHQZ-GUDVDZBRSA-N 2 0 329.488 2.198 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001283079341 1325911976 /nfs/dbraw/zinc/91/19/76/1325911976.db2.gz ZJGJVVCMLCHWDF-JSOMCWRVSA-N 2 0 325.884 2.240 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001283102805 1325920077 /nfs/dbraw/zinc/92/00/77/1325920077.db2.gz ZQSFEKSDMNEHRK-VAMGGRTRSA-N 2 0 343.515 2.364 10 0 EEAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001284247311 1326473673 /nfs/dbraw/zinc/47/36/73/1326473673.db2.gz YLMSTESJOUBNGJ-OLZOCXBDSA-N 2 0 346.302 2.276 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCOC1CCC1)C(C)(C)C ZINC001284620377 1326634554 /nfs/dbraw/zinc/63/45/54/1326634554.db2.gz YYTLKQKKYCSSKJ-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)C23CCC[NH+]2CCC3)sn1 ZINC001492050151 1330423619 /nfs/dbraw/zinc/42/36/19/1330423619.db2.gz GVFBUTQHUOBOBK-ZDUSSCGKSA-N 2 0 336.505 2.064 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001492024423 1330450704 /nfs/dbraw/zinc/45/07/04/1330450704.db2.gz PNFWTXRBWBPMJY-CZUORRHYSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1noc(C)c1C[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001492177113 1331055848 /nfs/dbraw/zinc/05/58/48/1331055848.db2.gz CRNKAKYSBNQPJA-QGZVFWFLSA-N 2 0 348.491 2.248 10 0 EEAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCc1ccccc1 ZINC001492450339 1331262908 /nfs/dbraw/zinc/26/29/08/1331262908.db2.gz NKQYYHKOOQLHNC-OALUTQOASA-N 2 0 329.488 2.294 10 0 EEAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316769111 1331828082 /nfs/dbraw/zinc/82/80/82/1331828082.db2.gz FNFKCFGINNITQK-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001317086242 1332073918 /nfs/dbraw/zinc/07/39/18/1332073918.db2.gz FMYPKVXQNJURJY-SNRMKQJTSA-N 2 0 347.478 2.337 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100064 1332078918 /nfs/dbraw/zinc/07/89/18/1332078918.db2.gz MUBMHMZPXIABPI-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317114471 1332085236 /nfs/dbraw/zinc/08/52/36/1332085236.db2.gz XSYFZRMHJHEKLJ-JTDSTZFVSA-N 2 0 349.519 2.199 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317396384 1332213343 /nfs/dbraw/zinc/21/33/43/1332213343.db2.gz FGMQJEHRCOCMSM-ZWKOTPCHSA-N 2 0 347.503 2.343 10 0 EEAERP CC[C@@H](C[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1)OC ZINC001317434731 1332238622 /nfs/dbraw/zinc/23/86/22/1332238622.db2.gz JLJYZPPLHYRHCQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001317721001 1332387778 /nfs/dbraw/zinc/38/77/78/1332387778.db2.gz QOUGMMDPHKFWCE-SFHVURJKSA-N 2 0 345.487 2.098 10 0 EEAERP Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317988649 1332458194 /nfs/dbraw/zinc/45/81/94/1332458194.db2.gz ZNTKGIJILXAKMQ-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318852549 1332611774 /nfs/dbraw/zinc/61/17/74/1332611774.db2.gz WIUFBDRFHYHLEW-HZPDHXFCSA-N 2 0 325.472 2.049 10 0 EEAERP CO[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001318860751 1332613276 /nfs/dbraw/zinc/61/32/76/1332613276.db2.gz ONWIAOJDCDVRFE-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001318936763 1332626245 /nfs/dbraw/zinc/62/62/45/1332626245.db2.gz BVTSBRDYMSUKLZ-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319460881 1332705956 /nfs/dbraw/zinc/70/59/56/1332705956.db2.gz RMHZWVYFRBRPPQ-FXAWDEMLSA-N 2 0 343.515 2.398 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319493489 1332711228 /nfs/dbraw/zinc/71/12/28/1332711228.db2.gz LXWBPIMGJQRINJ-QGZVFWFLSA-N 2 0 345.487 2.130 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319541545 1332718503 /nfs/dbraw/zinc/71/85/03/1332718503.db2.gz VIRFZPHXSMPJQG-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC001319769598 1332763426 /nfs/dbraw/zinc/76/34/26/1332763426.db2.gz MMIAPQQFKRDIBB-MSOLQXFVSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001319851531 1332784232 /nfs/dbraw/zinc/78/42/32/1332784232.db2.gz WGYDNPFHAQUOSA-GUYCJALGSA-N 2 0 332.423 2.443 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001320446521 1332885708 /nfs/dbraw/zinc/88/57/08/1332885708.db2.gz MZAKDIYQINIPAX-ZDUSSCGKSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1cccc(OCC[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001320464942 1332890388 /nfs/dbraw/zinc/89/03/88/1332890388.db2.gz WBFWSYAZMSGDTI-HKUYNNGSSA-N 2 0 347.503 2.343 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001320477805 1332893649 /nfs/dbraw/zinc/89/36/49/1332893649.db2.gz YTPDALFFZMXZPO-HNNXBMFYSA-N 2 0 333.451 2.439 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001320605187 1332919906 /nfs/dbraw/zinc/91/99/06/1332919906.db2.gz ASBMMMKPIXOWIY-HNNXBMFYSA-N 2 0 333.451 2.214 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320777339 1332950874 /nfs/dbraw/zinc/95/08/74/1332950874.db2.gz LQMJRGVNUOJZQE-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CC[NH2+]CCCc1cccc(C)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320920505 1332979411 /nfs/dbraw/zinc/97/94/11/1332979411.db2.gz FHTMKGAGJUOLSE-LJQANCHMSA-N 2 0 331.504 2.317 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321063617 1333009048 /nfs/dbraw/zinc/00/90/48/1333009048.db2.gz IOMZBTFSGJAAKC-PHXNAMCJSA-N 2 0 345.462 2.238 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1F ZINC001321200262 1333043672 /nfs/dbraw/zinc/04/36/72/1333043672.db2.gz NOXDFNUOSXHJOU-LIMHQNJXSA-N 2 0 337.414 2.211 10 0 EEAERP COc1ccccc1CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321618762 1333133893 /nfs/dbraw/zinc/13/38/93/1333133893.db2.gz YVDWKMPTUDJYAD-AEFFLSMTSA-N 2 0 347.503 2.206 10 0 EEAERP COc1cccc(/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001321813418 1333162110 /nfs/dbraw/zinc/16/21/10/1333162110.db2.gz GHNMZZSKIDDQOA-HNKJGWLFSA-N 2 0 345.487 2.287 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321896929 1333175558 /nfs/dbraw/zinc/17/55/58/1333175558.db2.gz KYEWYFGREVZLQJ-WMLDXEAASA-N 2 0 337.895 2.461 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001321991422 1333192082 /nfs/dbraw/zinc/19/20/82/1333192082.db2.gz NPAWEPKHXHZRKP-ROUUACIJSA-N 2 0 331.504 2.364 10 0 EEAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322567569 1333284760 /nfs/dbraw/zinc/28/47/60/1333284760.db2.gz ZLVVCBJZVQGASF-MSOLQXFVSA-N 2 0 330.476 2.037 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CCCF)CCCCC1 ZINC001324199580 1333632988 /nfs/dbraw/zinc/63/29/88/1333632988.db2.gz KKRQEQVZLAYWQK-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]C/C=C/c2ccccc2)C1 ZINC001324276531 1333648009 /nfs/dbraw/zinc/64/80/09/1333648009.db2.gz KKYNUEPZMPCYDQ-FQMXMGHCSA-N 2 0 327.472 2.232 10 0 EEAERP CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001324555878 1333707821 /nfs/dbraw/zinc/70/78/21/1333707821.db2.gz CBRCOXWTIVSGRP-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCc3ccccc3)C2)CC[N@@H+]1C ZINC001324728973 1333747881 /nfs/dbraw/zinc/74/78/81/1333747881.db2.gz VOVOSANGIHIIIN-QFUCXCTJSA-N 2 0 343.515 2.398 10 0 EEAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001324799870 1333762587 /nfs/dbraw/zinc/76/25/87/1333762587.db2.gz XJQNOVMTFZVPIW-PKOBYXMFSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001326352085 1334074953 /nfs/dbraw/zinc/07/49/53/1334074953.db2.gz LUYQLWRQPUTQAY-GDBMZVCRSA-N 2 0 338.521 2.058 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCCCCF)CC3)C1 ZINC001326603582 1334122946 /nfs/dbraw/zinc/12/29/46/1334122946.db2.gz LEPNYLPEXFKOFP-INIZCTEOSA-N 2 0 325.472 2.002 10 0 EEAERP O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001326843328 1334168306 /nfs/dbraw/zinc/16/83/06/1334168306.db2.gz LGLHMXGOMYEXGD-AEFFLSMTSA-N 2 0 349.519 2.201 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001327886796 1334360217 /nfs/dbraw/zinc/36/02/17/1334360217.db2.gz VTJPZQKMISZBHX-WMLDXEAASA-N 2 0 327.432 2.118 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCCC[C@H]2C[NH2+]CCF)C1 ZINC001328644386 1334493378 /nfs/dbraw/zinc/49/33/78/1334493378.db2.gz XVUCIYAXCMSUKG-YOEHRIQHSA-N 2 0 331.451 2.139 10 0 EEAERP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001329307169 1334623969 /nfs/dbraw/zinc/62/39/69/1334623969.db2.gz IYCFLEQGDISSEY-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001330976777 1334939693 /nfs/dbraw/zinc/93/96/93/1334939693.db2.gz LYCFGQGZAMWULI-RDJZCZTQSA-N 2 0 333.476 2.021 10 0 EEAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001333457210 1336051411 /nfs/dbraw/zinc/05/14/11/1336051411.db2.gz JBUSRZBRJXZWEG-QGZVFWFLSA-N 2 0 325.472 2.359 10 0 EEAERP CC[NH+](CC)CCCCNC(=O)[C@]1(N(C)C)COc2ccccc2C1 ZINC001347650099 1337517595 /nfs/dbraw/zinc/51/75/95/1337517595.db2.gz IKCPGXWUGBDXCX-HXUWFJFHSA-N 2 0 347.503 2.160 10 0 EEAERP Cc1ccc2sc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)nc2c1 ZINC001480530728 1338309360 /nfs/dbraw/zinc/30/93/60/1338309360.db2.gz NBBGSHXEVCAHNB-CYBMUJFWSA-N 2 0 334.489 2.151 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC001433892068 1341714338 /nfs/dbraw/zinc/71/43/38/1341714338.db2.gz SXRDNUDBDIDCMB-YYIAUSFCSA-N 2 0 339.549 2.145 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC001434325141 1341829282 /nfs/dbraw/zinc/82/92/82/1341829282.db2.gz YSLFGVQNDVYJSS-DLBZAZTESA-N 2 0 330.476 2.239 10 0 EEAERP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001434845059 1341961937 /nfs/dbraw/zinc/96/19/37/1341961937.db2.gz ZEOWRNQPWWEYIM-DOTOQJQBSA-N 2 0 335.517 2.418 10 0 EEAERP CC(C)(C(=O)N1CC2(C1)CC[N@H+](C/C=C\Cl)C2)[NH+]1CCCC1 ZINC001434845909 1341963034 /nfs/dbraw/zinc/96/30/34/1341963034.db2.gz MTPSYDLNCGYYSK-ALCCZGGFSA-N 2 0 325.884 2.148 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCCOC)C2)C1 ZINC001500251455 1342112322 /nfs/dbraw/zinc/11/23/22/1342112322.db2.gz PTYBFZFJDQELSG-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP COCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001506576713 1342256577 /nfs/dbraw/zinc/25/65/77/1342256577.db2.gz VAXYNYVFJAQDOF-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCCCCc2cc[nH+]c(N)c2)c1 ZINC001558883971 1342491674 /nfs/dbraw/zinc/49/16/74/1342491674.db2.gz IOPLCLKGVNIHIW-UHFFFAOYSA-N 2 0 326.444 2.478 10 0 EEAERP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001566740213 1342619740 /nfs/dbraw/zinc/61/97/40/1342619740.db2.gz SERXUUHNDREUTL-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](C[NH2+]CCCCCF)C1 ZINC001566893704 1342647658 /nfs/dbraw/zinc/64/76/58/1342647658.db2.gz MZNYCXQWXXOHAO-FUHWJXTLSA-N 2 0 339.499 2.296 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2s1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567604558 1342791215 /nfs/dbraw/zinc/79/12/15/1342791215.db2.gz HHAGOIJYZGODOK-OAHLLOKOSA-N 2 0 331.485 2.401 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cn(C(C)C)nc1C ZINC001567611782 1342793873 /nfs/dbraw/zinc/79/38/73/1342793873.db2.gz UVBMNAIAPIYOOW-GOSISDBHSA-N 2 0 349.523 2.195 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(OC)cc1)[NH+](C)C ZINC001569562721 1342897442 /nfs/dbraw/zinc/89/74/42/1342897442.db2.gz WZLSQEYBWOMWNJ-PKOBYXMFSA-N 2 0 347.503 2.159 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(OC)cc1)[NH+](C)C ZINC001569562720 1342897603 /nfs/dbraw/zinc/89/76/03/1342897603.db2.gz WZLSQEYBWOMWNJ-HKUYNNGSSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)on1 ZINC001569824860 1342953360 /nfs/dbraw/zinc/95/33/60/1342953360.db2.gz BNIXYFLXHXJJIM-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001676215927 1357122262 /nfs/dbraw/zinc/12/22/62/1357122262.db2.gz VJLZCEDGKVCUPW-DXYWVSLTSA-N 2 0 327.900 2.296 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCCCCC1 ZINC001676400816 1357146080 /nfs/dbraw/zinc/14/60/80/1357146080.db2.gz GWCFCUJMKNNWID-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423303 1357148512 /nfs/dbraw/zinc/14/85/12/1357148512.db2.gz CZNWKHSFNBNVOZ-ZIAGYGMSSA-N 2 0 338.883 2.013 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001645944740 1352810620 /nfs/dbraw/zinc/81/06/20/1352810620.db2.gz GNEDPFRJDOMCSC-BRWVUGGUSA-N 2 0 336.455 2.244 10 0 EEAERP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001650613972 1354023741 /nfs/dbraw/zinc/02/37/41/1354023741.db2.gz YDIVDKACKSHFOX-MSOLQXFVSA-N 2 0 328.460 2.184 10 0 EEAERP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001656080900 1354197302 /nfs/dbraw/zinc/19/73/02/1354197302.db2.gz PSZVRXWXPZQRAA-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCCOC)[C@@H]2C)C1 ZINC001656990914 1354307310 /nfs/dbraw/zinc/30/73/10/1354307310.db2.gz AFSDJHMSMHPATN-KURKYZTESA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@H]1CC[C@@H](C)O1 ZINC001660553258 1354488131 /nfs/dbraw/zinc/48/81/31/1354488131.db2.gz HKOXWYFXCXZGBC-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001661693878 1354673135 /nfs/dbraw/zinc/67/31/35/1354673135.db2.gz CCMKSVWECAPKJB-GASCZTMLSA-N 2 0 336.505 2.146 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001662388766 1354790045 /nfs/dbraw/zinc/79/00/45/1354790045.db2.gz QEIUVHYIBDSDMC-ROUUACIJSA-N 2 0 347.503 2.118 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccnc(Cl)c1 ZINC001663968409 1355064626 /nfs/dbraw/zinc/06/46/26/1355064626.db2.gz QZKMYUGPYWDRFV-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001663981789 1355068011 /nfs/dbraw/zinc/06/80/11/1355068011.db2.gz VCOIOZRAZFCGMZ-IBGZPJMESA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCOC1 ZINC001664516704 1355184047 /nfs/dbraw/zinc/18/40/47/1355184047.db2.gz KHXVVTCIKAGRSU-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCOC1CCCCCC1 ZINC001666667281 1355562831 /nfs/dbraw/zinc/56/28/31/1355562831.db2.gz RHOQLHURXZMLFI-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001667176855 1355665710 /nfs/dbraw/zinc/66/57/10/1355665710.db2.gz RHNHDNQEELPOSC-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001667279193 1355696303 /nfs/dbraw/zinc/69/63/03/1355696303.db2.gz NUOKBQQPRYSJMW-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl)C12CCC[NH+]1CCC2 ZINC001667734714 1355801677 /nfs/dbraw/zinc/80/16/77/1355801677.db2.gz QRHGLMWPFCISNG-HJLUBGTMSA-N 2 0 325.884 2.242 10 0 EEAERP C[C@@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667998411 1355844483 /nfs/dbraw/zinc/84/44/83/1355844483.db2.gz BLLXDWITFYOPOM-ZFWWWQNUSA-N 2 0 331.451 2.391 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001668234045 1355905013 /nfs/dbraw/zinc/90/50/13/1355905013.db2.gz CCKORPCQCHHVRR-INIZCTEOSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001668278256 1355914301 /nfs/dbraw/zinc/91/43/01/1355914301.db2.gz DUGRMFMMWJDIFM-CQSZACIVSA-N 2 0 348.491 2.187 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cccc2c1CCOC2 ZINC001668320307 1355922764 /nfs/dbraw/zinc/92/27/64/1355922764.db2.gz OUTIRFQPALPUDX-MRXNPFEDSA-N 2 0 347.503 2.084 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1F ZINC001668828987 1356014555 /nfs/dbraw/zinc/01/45/55/1356014555.db2.gz VCMCMUKLFFWXOJ-UGZKAYFTSA-N 2 0 345.462 2.491 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834333 1356016598 /nfs/dbraw/zinc/01/65/98/1356016598.db2.gz VRTLTYFWPSLQDS-XQJUWPJRSA-N 2 0 333.451 2.236 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001668853224 1356023410 /nfs/dbraw/zinc/02/34/10/1356023410.db2.gz FDZOMGLKHMYQLI-OAJJDEHYSA-N 2 0 333.451 2.462 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001668854671 1356023660 /nfs/dbraw/zinc/02/36/60/1356023660.db2.gz UYSUVNHHVBCKFD-DDKKJVIOSA-N 2 0 333.451 2.462 10 0 EEAERP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001669446754 1356161569 /nfs/dbraw/zinc/16/15/69/1356161569.db2.gz WCAUKAXHYHCYQG-KGLIPLIRSA-N 2 0 329.435 2.002 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001670352538 1356325763 /nfs/dbraw/zinc/32/57/63/1356325763.db2.gz FCJGAPVDQMNIOU-OKILXGFUSA-N 2 0 336.480 2.102 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001671735617 1356404674 /nfs/dbraw/zinc/40/46/74/1356404674.db2.gz MIHCGDPCIWDJIE-SZVBFZGTSA-N 2 0 349.544 2.459 10 0 EEAERP COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001672246254 1356487720 /nfs/dbraw/zinc/48/77/20/1356487720.db2.gz GWEFHCHWPYXZSS-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001672328137 1356501164 /nfs/dbraw/zinc/50/11/64/1356501164.db2.gz MXVOHKMOAHUIPI-OLZOCXBDSA-N 2 0 336.307 2.331 10 0 EEAERP O=C(NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)C12CC[NH+](CC1)C2 ZINC001672381442 1356512320 /nfs/dbraw/zinc/51/23/20/1356512320.db2.gz SDMQXBDDEOPEHE-IYARVYRRSA-N 2 0 333.520 2.395 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001673380993 1356680075 /nfs/dbraw/zinc/68/00/75/1356680075.db2.gz PSICNNMNKKXTIA-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001674687156 1356876406 /nfs/dbraw/zinc/87/64/06/1356876406.db2.gz MUMJDPRUUDDMCI-UONOGXRCSA-N 2 0 332.448 2.164 10 0 EEAERP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001674687154 1356876589 /nfs/dbraw/zinc/87/65/89/1356876589.db2.gz MUMJDPRUUDDMCI-KBPBESRZSA-N 2 0 332.448 2.164 10 0 EEAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC001675868152 1357059255 /nfs/dbraw/zinc/05/92/55/1357059255.db2.gz ACSJSFNLXUABLW-KSSFIOAISA-N 2 0 332.492 2.167 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001698700998 1405018275 /nfs/dbraw/zinc/01/82/75/1405018275.db2.gz GKASOZYYKCSONL-INIZCTEOSA-N 2 0 325.472 2.049 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001698771791 1405053158 /nfs/dbraw/zinc/05/31/58/1405053158.db2.gz QDVRXYSYQAFBFV-STQMWFEESA-N 2 0 348.318 2.008 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001699099306 1405253535 /nfs/dbraw/zinc/25/35/35/1405253535.db2.gz KCWZMEFIJPBNDG-SJLPKXTDSA-N 2 0 332.492 2.247 10 0 EEAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001699101276 1405254548 /nfs/dbraw/zinc/25/45/48/1405254548.db2.gz VYFTZPFILUZOET-LPHOPBHVSA-N 2 0 329.488 2.321 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102075 1405255490 /nfs/dbraw/zinc/25/54/90/1405255490.db2.gz GPARYYFMMSYTKN-GZBFAFLISA-N 2 0 338.883 2.060 10 0 EEAERP CN(CCC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699537855 1405377439 /nfs/dbraw/zinc/37/74/39/1405377439.db2.gz FTHNBNRZZOYLFV-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCc3ccccc3)C2)C1 ZINC001699856151 1405530615 /nfs/dbraw/zinc/53/06/15/1405530615.db2.gz JTKAATUWMHUHBD-ICSRJNTNSA-N 2 0 329.488 2.009 10 0 EEAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846698034 790434683 /nfs/dbraw/zinc/43/46/83/790434683.db2.gz AOIMVIFRMBYZPN-KZNAEPCWSA-N 2 0 339.524 2.386 10 0 EEAERP COc1ncc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1Cl ZINC000925845108 779429004 /nfs/dbraw/zinc/42/90/04/779429004.db2.gz FFIBRNIKEUBDDH-CQSZACIVSA-N 2 0 340.899 2.470 10 0 EEAERP CC[NH+](CC)CCOCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000907351590 784556948 /nfs/dbraw/zinc/55/69/48/784556948.db2.gz FCIVWAAOYNTWLK-UHFFFAOYSA-N 2 0 346.475 2.379 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(Cl)n1 ZINC000817860908 785026586 /nfs/dbraw/zinc/02/65/86/785026586.db2.gz YZIVCAZRMCHLIF-MMMKDXCPSA-N 2 0 338.883 2.265 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000819060391 785380205 /nfs/dbraw/zinc/38/02/05/785380205.db2.gz HPMWGPOBTVBCAC-VQTJNVASSA-N 2 0 333.520 2.198 10 0 EEAERP CC(C)OCCN1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819128912 785434744 /nfs/dbraw/zinc/43/47/44/785434744.db2.gz TWHJVOFWVXSEAQ-GOSISDBHSA-N 2 0 342.430 2.477 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000819174751 785447320 /nfs/dbraw/zinc/44/73/20/785447320.db2.gz RCPQOXGLHNSJMG-VAMGGRTRSA-N 2 0 332.488 2.386 10 0 EEAERP CC(C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000912996298 788548859 /nfs/dbraw/zinc/54/88/59/788548859.db2.gz NSKWUAGPLXYCCM-LJQANCHMSA-N 2 0 341.499 2.451 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000711277969 788585083 /nfs/dbraw/zinc/58/50/83/788585083.db2.gz CZTJYKXEBXBQRY-SJLPKXTDSA-N 2 0 329.488 2.355 10 0 EEAERP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307294 789332845 /nfs/dbraw/zinc/33/28/45/789332845.db2.gz RBAORHOOPINBQT-LLVKDONJSA-N 2 0 331.279 2.321 10 0 EEAERP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303760 789343070 /nfs/dbraw/zinc/34/30/70/789343070.db2.gz KKPALAQSFUKLLJ-AWEZNQCLSA-N 2 0 330.350 2.396 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccn(-c3cccc(F)c3)n1)CC2 ZINC000923450180 789581210 /nfs/dbraw/zinc/58/12/10/789581210.db2.gz SSYQBFDWEJUZNU-SFHVURJKSA-N 2 0 344.434 2.341 10 0 EEAERP COc1cc(-c2noc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)n2)ccc1C ZINC000923493209 789664531 /nfs/dbraw/zinc/66/45/31/789664531.db2.gz FMBFHPFBQRXYJV-HIFRSBDPSA-N 2 0 330.432 2.470 10 0 EEAERP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)NC(C1CC1)C1CC1 ZINC000923503297 789669978 /nfs/dbraw/zinc/66/99/78/789669978.db2.gz INUCQUGZPDHIRL-OAHLLOKOSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)CC[C@H]1C[NH3+] ZINC000923497128 789671543 /nfs/dbraw/zinc/67/15/43/789671543.db2.gz FDXAHZAUOXNXRW-OLZOCXBDSA-N 2 0 334.395 2.204 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH+]1C ZINC000923511882 789699284 /nfs/dbraw/zinc/69/92/84/789699284.db2.gz YIMMSZLSHPGIMT-ZAWLATJESA-N 2 0 344.503 2.146 10 0 EEAERP CO[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716690381 796443330 /nfs/dbraw/zinc/44/33/30/796443330.db2.gz FVXRYNJMLQPLDH-YRPNKDGESA-N 2 0 330.472 2.435 10 0 EEAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000922846866 802049402 /nfs/dbraw/zinc/04/94/02/802049402.db2.gz RLFIZBXKHFBRPO-FQEVSTJZSA-N 2 0 345.487 2.458 10 0 EEAERP Cc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000793536730 810395317 /nfs/dbraw/zinc/39/53/17/810395317.db2.gz UZKXTDBSHXHGMQ-QGZVFWFLSA-N 2 0 333.524 2.329 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001436405239 1087754051 /nfs/dbraw/zinc/75/40/51/1087754051.db2.gz SZVOPVXSZMXKHY-SHTZXODSSA-N 2 0 338.521 2.085 10 0 EEAERP CC[C@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)OC ZINC001436496838 1088012307 /nfs/dbraw/zinc/01/23/07/1088012307.db2.gz YAALNJZOGLSYAP-BBWFWOEESA-N 2 0 327.513 2.065 10 0 EEAERP Cc1nc(CN[C@H]2C[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C2)co1 ZINC001436901133 1088554818 /nfs/dbraw/zinc/55/48/18/1088554818.db2.gz MEVXXOXDMAIPFB-WKILWMFISA-N 2 0 348.491 2.374 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001437131307 1089119650 /nfs/dbraw/zinc/11/96/50/1089119650.db2.gz VTOKZEWPQIVWGB-DOMZBBRYSA-N 2 0 325.403 2.313 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437162322 1089173194 /nfs/dbraw/zinc/17/31/94/1089173194.db2.gz ZYAOSAVXKYTLJK-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1c(F)cccc1Cl ZINC001437264550 1089409649 /nfs/dbraw/zinc/40/96/49/1089409649.db2.gz WNIGOLYBCUUMTR-ZDUSSCGKSA-N 2 0 341.858 2.212 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001437314847 1089473836 /nfs/dbraw/zinc/47/38/36/1089473836.db2.gz UFILGQIJDIWIQS-GJZGRUSLSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723844 1090277265 /nfs/dbraw/zinc/27/72/65/1090277265.db2.gz FBGGWDPLNFIKNG-QAPCUYQASA-N 2 0 325.472 2.047 10 0 EEAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001438266736 1090748957 /nfs/dbraw/zinc/74/89/57/1090748957.db2.gz NYYBRCUCLATRDL-LPHOPBHVSA-N 2 0 344.503 2.155 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001438273832 1090758720 /nfs/dbraw/zinc/75/87/20/1090758720.db2.gz VJQMHKKSHDSGGY-IBGZPJMESA-N 2 0 344.503 2.217 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001438310816 1090789171 /nfs/dbraw/zinc/78/91/71/1090789171.db2.gz GWOGHSSCLBMPKB-YJBOKZPZSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C)cc1 ZINC001438379525 1090862273 /nfs/dbraw/zinc/86/22/73/1090862273.db2.gz UPPAEZUAYJDVIF-GOSISDBHSA-N 2 0 347.503 2.090 10 0 EEAERP CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccc(C)cc1 ZINC001438379527 1090862758 /nfs/dbraw/zinc/86/27/58/1090862758.db2.gz UPPAEZUAYJDVIF-SFHVURJKSA-N 2 0 347.503 2.090 10 0 EEAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001438401021 1090888317 /nfs/dbraw/zinc/88/83/17/1090888317.db2.gz IVCQCTTXVJXAKE-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438415037 1090907680 /nfs/dbraw/zinc/90/76/80/1090907680.db2.gz NRTLJXALKXNGLW-AZUAARDMSA-N 2 0 344.503 2.329 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001438430606 1090929348 /nfs/dbraw/zinc/92/93/48/1090929348.db2.gz BTFWTEUCQNGBOR-PXNSSMCTSA-N 2 0 346.519 2.496 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001438464637 1090971800 /nfs/dbraw/zinc/97/18/00/1090971800.db2.gz MXVZGQOTKANWAD-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(F)c1F ZINC001438550400 1091042282 /nfs/dbraw/zinc/04/22/82/1091042282.db2.gz XZZNRPPJNRVMSQ-ZIAGYGMSSA-N 2 0 339.430 2.149 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445398579 1091144967 /nfs/dbraw/zinc/14/49/67/1091144967.db2.gz WAMWTLKXJFBIRG-UKRRQHHQSA-N 2 0 336.480 2.185 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C23CCC[NH+]2CCC3)o1 ZINC001438660530 1091148706 /nfs/dbraw/zinc/14/87/06/1091148706.db2.gz GCDNPRNREVROHC-AWEZNQCLSA-N 2 0 348.491 2.110 10 0 EEAERP COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001438687589 1091187481 /nfs/dbraw/zinc/18/74/81/1091187481.db2.gz VPORZGVMWZWBCT-JZXOWHBKSA-N 2 0 347.503 2.362 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001438714304 1091234369 /nfs/dbraw/zinc/23/43/69/1091234369.db2.gz MXOVOSIDPVVJAI-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001438713807 1091234724 /nfs/dbraw/zinc/23/47/24/1091234724.db2.gz YCZYQCUUMINDSU-INIZCTEOSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001438760281 1091326105 /nfs/dbraw/zinc/32/61/05/1091326105.db2.gz AUJAQQRIGGQKSS-HZPDHXFCSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC001445574099 1091355103 /nfs/dbraw/zinc/35/51/03/1091355103.db2.gz ZQOGBWGDKDTVEG-KBXCAEBGSA-N 2 0 348.491 2.267 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)sn1 ZINC001438851148 1091488973 /nfs/dbraw/zinc/48/89/73/1091488973.db2.gz QDCHPIKJQCITBR-OAHLLOKOSA-N 2 0 326.510 2.022 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001438935314 1091618313 /nfs/dbraw/zinc/61/83/13/1091618313.db2.gz BSNGNKLMQBMQOV-INIZCTEOSA-N 2 0 333.476 2.242 10 0 EEAERP CC(C)n1ccc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001445778941 1091644679 /nfs/dbraw/zinc/64/46/79/1091644679.db2.gz FBQGLBBNBCIUPG-ULQDDVLXSA-N 2 0 349.523 2.131 10 0 EEAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ocnc1C ZINC001446023840 1092015084 /nfs/dbraw/zinc/01/50/84/1092015084.db2.gz ZQTZNXBQHDNJKK-JKSUJKDBSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001439403254 1092159643 /nfs/dbraw/zinc/15/96/43/1092159643.db2.gz HHVWFFAGPMXVLQ-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC001439533674 1092393876 /nfs/dbraw/zinc/39/38/76/1092393876.db2.gz WOLQCXSBQGMIQG-HUUCEWRRSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC[C@@H](C)F)CC2 ZINC001446331758 1092536610 /nfs/dbraw/zinc/53/66/10/1092536610.db2.gz QELCXCQPJDZJFJ-MRXNPFEDSA-N 2 0 327.488 2.389 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001439785134 1092743251 /nfs/dbraw/zinc/74/32/51/1092743251.db2.gz YSLJHGMTSGXJBQ-LBPRGKRZSA-N 2 0 344.912 2.217 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439937954 1093033797 /nfs/dbraw/zinc/03/37/97/1093033797.db2.gz ZRHHAPRQXLIBQK-QAPCUYQASA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1F ZINC001440198064 1093268638 /nfs/dbraw/zinc/26/86/38/1093268638.db2.gz ZVPSBPMNTJZIMN-ROUUACIJSA-N 2 0 333.451 2.343 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2C1 ZINC001448468573 1093480395 /nfs/dbraw/zinc/48/03/95/1093480395.db2.gz ITJKKCYVSVMZQZ-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001440337192 1093482671 /nfs/dbraw/zinc/48/26/71/1093482671.db2.gz IMQGBOBVGSJJCV-INIZCTEOSA-N 2 0 348.491 2.376 10 0 EEAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001448600382 1093662141 /nfs/dbraw/zinc/66/21/41/1093662141.db2.gz DTIZIZLWQRDSRS-APWZRJJASA-N 2 0 347.478 2.494 10 0 EEAERP CCc1cnc(C[NH2+]C2(CC)CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC001440540869 1093808969 /nfs/dbraw/zinc/80/89/69/1093808969.db2.gz UVGCHZAOHUATPW-UHFFFAOYSA-N 2 0 348.491 2.194 10 0 EEAERP Cc1nc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)cs1 ZINC001440610281 1093875467 /nfs/dbraw/zinc/87/54/67/1093875467.db2.gz ODNQFZAEUSAMGN-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP CCCC[NH+]1CCC(CO)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001440699806 1093950136 /nfs/dbraw/zinc/95/01/36/1093950136.db2.gz GVSULNUVYPTYGN-UHFFFAOYSA-N 2 0 347.503 2.105 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc2nsnc21 ZINC001440826588 1094079213 /nfs/dbraw/zinc/07/92/13/1094079213.db2.gz BXMLIDQOQLPBAT-QWHCGFSZSA-N 2 0 349.504 2.016 10 0 EEAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001449087362 1094100583 /nfs/dbraw/zinc/10/05/83/1094100583.db2.gz UHRQFMZHRPGQFV-LSDHHAIUSA-N 2 0 349.441 2.499 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC001441015118 1094293987 /nfs/dbraw/zinc/29/39/87/1094293987.db2.gz URTMKGJYNHFLCU-GFCCVEGCSA-N 2 0 329.897 2.434 10 0 EEAERP CO[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001449353426 1094314433 /nfs/dbraw/zinc/31/44/33/1094314433.db2.gz SEFVHHJOIBDWGA-HZPDHXFCSA-N 2 0 341.540 2.216 10 0 EEAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001449405356 1094386256 /nfs/dbraw/zinc/38/62/56/1094386256.db2.gz VSLNQEVESIOMBM-AOCRQIFASA-N 2 0 339.499 2.436 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001449409179 1094391490 /nfs/dbraw/zinc/39/14/90/1094391490.db2.gz IWSDMEQOPSCPMS-DOTOQJQBSA-N 2 0 339.499 2.437 10 0 EEAERP Cc1nocc1C[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001441102018 1094407808 /nfs/dbraw/zinc/40/78/08/1094407808.db2.gz VBMOWFJHHHIDHA-UHFFFAOYSA-N 2 0 348.491 2.376 10 0 EEAERP C[C@H](F)CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001441133907 1094463449 /nfs/dbraw/zinc/46/34/49/1094463449.db2.gz HHARLILMYDPBBU-GJZGRUSLSA-N 2 0 325.472 2.047 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]([NH2+]CC2CC3(CCC3)C2)C2CC2)CC1 ZINC001441250756 1094644525 /nfs/dbraw/zinc/64/45/25/1094644525.db2.gz OCGDGMWKNAMPCP-QGZVFWFLSA-N 2 0 333.520 2.393 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccccc3F)C[C@H]21 ZINC001441321431 1094776936 /nfs/dbraw/zinc/77/69/36/1094776936.db2.gz SUPQILXEQOZQKU-NNZMDNLPSA-N 2 0 347.478 2.352 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@]2(C)C[N@H+](C/C=C\Cl)C[C@]2(C)C1 ZINC001441334207 1094803282 /nfs/dbraw/zinc/80/32/82/1094803282.db2.gz LARFSKTXOGMYKA-MDFLRMMOSA-N 2 0 327.900 2.251 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001441422816 1095011984 /nfs/dbraw/zinc/01/19/84/1095011984.db2.gz YYLKXPBRKOMDKL-SZMVWBNQSA-N 2 0 345.487 2.095 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c(C)n1 ZINC001441434931 1095040538 /nfs/dbraw/zinc/04/05/38/1095040538.db2.gz CSWCKXNBMXQIKO-WGSAOQKQSA-N 2 0 344.503 2.311 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001441468177 1095128426 /nfs/dbraw/zinc/12/84/26/1095128426.db2.gz IQASARWPJYHPHC-APWZRJJASA-N 2 0 344.503 2.058 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC001441480640 1095151501 /nfs/dbraw/zinc/15/15/01/1095151501.db2.gz PXMZJLBNTVHLPT-OALUTQOASA-N 2 0 344.503 2.236 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)s2)C1)[NH+](CC)CC ZINC001441502505 1095185751 /nfs/dbraw/zinc/18/57/51/1095185751.db2.gz CJTUVZWBQMPTNQ-IJEWVQPXSA-N 2 0 338.521 2.309 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC001441507470 1095195944 /nfs/dbraw/zinc/19/59/44/1095195944.db2.gz SIPSBDLAKTVRHQ-OZVIIMIRSA-N 2 0 337.414 2.141 10 0 EEAERP CCc1noc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001441540959 1095258650 /nfs/dbraw/zinc/25/86/50/1095258650.db2.gz PUGYKLBKWHYFPU-IYBDPMFKSA-N 2 0 348.491 2.158 10 0 EEAERP O=C(Cc1c[nH]cn1)NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441602530 1095447757 /nfs/dbraw/zinc/44/77/57/1095447757.db2.gz ZCIHAFUDBAESPE-KGLIPLIRSA-N 2 0 340.418 2.216 10 0 EEAERP CN(C)c1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001441610786 1095470734 /nfs/dbraw/zinc/47/07/34/1095470734.db2.gz PGVBQURXROOIGE-SFHVURJKSA-N 2 0 346.519 2.033 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21 ZINC001441723168 1095703344 /nfs/dbraw/zinc/70/33/44/1095703344.db2.gz RCIFIZBCEQQTBF-KLTZCBCKSA-N 2 0 333.520 2.201 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001441742262 1095733821 /nfs/dbraw/zinc/73/38/21/1095733821.db2.gz UQNITLRJKBAXHA-UHFFFAOYSA-N 2 0 336.480 2.149 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001441827561 1095876761 /nfs/dbraw/zinc/87/67/61/1095876761.db2.gz AJEVOHHICAZZAP-DZGCQCFKSA-N 2 0 336.480 2.040 10 0 EEAERP COc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001441837494 1095904983 /nfs/dbraw/zinc/90/49/83/1095904983.db2.gz PGBQHKFSWSHVPP-AEFFLSMTSA-N 2 0 347.503 2.423 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001441846755 1095928649 /nfs/dbraw/zinc/92/86/49/1095928649.db2.gz JDYJTOZQEAYXGV-YJBOKZPZSA-N 2 0 332.492 2.166 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001441865971 1095973694 /nfs/dbraw/zinc/97/36/94/1095973694.db2.gz DHVQCQVUJMFSRB-WMZOPIPTSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001441936357 1096126695 /nfs/dbraw/zinc/12/66/95/1096126695.db2.gz XWDQWVZKHCPLIA-HUUCEWRRSA-N 2 0 325.472 2.190 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441940257 1096136606 /nfs/dbraw/zinc/13/66/06/1096136606.db2.gz OOPDYQGFNHVEFD-ZDUSSCGKSA-N 2 0 336.480 2.043 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1Cl ZINC001442058687 1096270053 /nfs/dbraw/zinc/27/00/53/1096270053.db2.gz ZBXIHJFZYBWPDO-ZDUSSCGKSA-N 2 0 339.867 2.039 10 0 EEAERP CC(C)N(CC[N@H+](C)CCc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001442116831 1096349622 /nfs/dbraw/zinc/34/96/22/1096349622.db2.gz CTYSGEGTLSZCIU-UHFFFAOYSA-N 2 0 343.515 2.494 10 0 EEAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1)[NH+]1CCCC1 ZINC001442335788 1096658001 /nfs/dbraw/zinc/65/80/01/1096658001.db2.gz MNIHFXDIFBHJQZ-GDBMZVCRSA-N 2 0 338.521 2.248 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001443107656 1097520506 /nfs/dbraw/zinc/52/05/06/1097520506.db2.gz MPLYGSHBAFSYKX-HUUCEWRRSA-N 2 0 327.488 2.436 10 0 EEAERP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001443234317 1097697741 /nfs/dbraw/zinc/69/77/41/1097697741.db2.gz BUCMMOOMEMJNBV-IRXDYDNUSA-N 2 0 347.507 2.016 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@H](CCNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001443267257 1097747836 /nfs/dbraw/zinc/74/78/36/1097747836.db2.gz QGNCGDNESMYENU-QZTJIDSGSA-N 2 0 344.503 2.060 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001443417307 1097918920 /nfs/dbraw/zinc/91/89/20/1097918920.db2.gz YJCKPDNLILIEKV-SJLPKXTDSA-N 2 0 333.451 2.345 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(CO)cc1 ZINC001443916349 1098438226 /nfs/dbraw/zinc/43/82/26/1098438226.db2.gz LGPOAYTUHBMATK-MOPGFXCFSA-N 2 0 347.503 2.036 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnoc1C ZINC001444009502 1098526035 /nfs/dbraw/zinc/52/60/35/1098526035.db2.gz TVYRZVFSYIFVOJ-WMLDXEAASA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001444032007 1098550991 /nfs/dbraw/zinc/55/09/91/1098550991.db2.gz JGLRZZHKRAVYAS-GJZGRUSLSA-N 2 0 343.462 2.392 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(OC(C)C)c1 ZINC001444050095 1098574577 /nfs/dbraw/zinc/57/45/77/1098574577.db2.gz ZHHOVVGUIZBDLG-ZWKOTPCHSA-N 2 0 347.503 2.410 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(OC(C)C)c1 ZINC001444050089 1098575418 /nfs/dbraw/zinc/57/54/18/1098575418.db2.gz ZHHOVVGUIZBDLG-MSOLQXFVSA-N 2 0 347.503 2.410 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1sc(C)nc1C ZINC001479640871 1098670463 /nfs/dbraw/zinc/67/04/63/1098670463.db2.gz BUNZHEKMFPJOIT-LSDHHAIUSA-N 2 0 338.521 2.181 10 0 EEAERP Cc1nocc1C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001479694309 1098762866 /nfs/dbraw/zinc/76/28/66/1098762866.db2.gz AGXGHWMMJMNJAQ-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001444391732 1098984921 /nfs/dbraw/zinc/98/49/21/1098984921.db2.gz RGCCZIFBCPPQLT-JKSUJKDBSA-N 2 0 335.467 2.318 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(CF)cc1 ZINC001479808482 1099059734 /nfs/dbraw/zinc/05/97/34/1099059734.db2.gz DOLZSRQHFDOALA-UHFFFAOYSA-N 2 0 333.451 2.190 10 0 EEAERP CC[N@H+](CCCNC(=O)c1cccc2nccn21)CC[C@H]1CCOC1 ZINC001479848655 1099143665 /nfs/dbraw/zinc/14/36/65/1099143665.db2.gz CGADJRJRVSKSAI-INIZCTEOSA-N 2 0 344.459 2.203 10 0 EEAERP Cc1cccnc1C[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001479876075 1099233923 /nfs/dbraw/zinc/23/39/23/1099233923.db2.gz NAQWVTJYIIJRCZ-MRXNPFEDSA-N 2 0 344.503 2.203 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479909015 1099302041 /nfs/dbraw/zinc/30/20/41/1099302041.db2.gz WEVMVZLXXWEPJY-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(NCC1([NH2+]CC[C@@H]2CCCCO2)CCCC1)C12CC[NH+](CC1)C2 ZINC001444536602 1099310175 /nfs/dbraw/zinc/31/01/75/1099310175.db2.gz QWWICESFSQDLJD-KRWDZBQOSA-N 2 0 349.519 2.060 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001480287045 1099996971 /nfs/dbraw/zinc/99/69/71/1099996971.db2.gz WCBZCUZBEGFWOQ-HWYYHXQYSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480302179 1100020706 /nfs/dbraw/zinc/02/07/06/1100020706.db2.gz HRVWTBHAHBHBCA-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H]1CC(C)(C)CO1 ZINC001480330617 1100085292 /nfs/dbraw/zinc/08/52/92/1100085292.db2.gz HYTLYLXCZVEDEA-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)o1 ZINC001445108805 1100346763 /nfs/dbraw/zinc/34/67/63/1100346763.db2.gz KDSALDFXRXSPCL-HUUCEWRRSA-N 2 0 336.480 2.124 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001495203276 1100884769 /nfs/dbraw/zinc/88/47/69/1100884769.db2.gz VPOGQMHVGFXORW-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2coc(C)n2)CC1 ZINC001446481353 1100911854 /nfs/dbraw/zinc/91/18/54/1100911854.db2.gz MDXIBLXLFBERBT-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@](C[NH2+]CC1CCCC1)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495248183 1100943711 /nfs/dbraw/zinc/94/37/11/1100943711.db2.gz HMJOZRZGXJOZIH-UYAOXDASSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@@](C[NH2+]Cc1ccccc1F)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001495295245 1100995889 /nfs/dbraw/zinc/99/58/89/1100995889.db2.gz YZLPVPSVCSXRLL-IBGZPJMESA-N 2 0 345.462 2.296 10 0 EEAERP Cc1ncoc1C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001446551022 1101020007 /nfs/dbraw/zinc/02/00/07/1101020007.db2.gz HWDWVVLDIIJTBP-LJQANCHMSA-N 2 0 348.491 2.330 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001496430403 1101021688 /nfs/dbraw/zinc/02/16/88/1101021688.db2.gz SWNCSXWPMXEMKK-MSOLQXFVSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001495372450 1101087940 /nfs/dbraw/zinc/08/79/40/1101087940.db2.gz AHVSZJYFKIKIIV-INIZCTEOSA-N 2 0 348.491 2.043 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001495374742 1101090979 /nfs/dbraw/zinc/09/09/79/1101090979.db2.gz WSULVGJODFOAER-HOTGVXAUSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C(C)C)CC[N@@H+]1C ZINC001496560211 1101161644 /nfs/dbraw/zinc/16/16/44/1101161644.db2.gz BPTJIDCFLHIAQF-BFHYXJOUSA-N 2 0 337.430 2.400 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001495813874 1101631586 /nfs/dbraw/zinc/63/15/86/1101631586.db2.gz VXMCSPMIHITHEI-CQSZACIVSA-N 2 0 344.459 2.200 10 0 EEAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CCCC1 ZINC001495939479 1101793520 /nfs/dbraw/zinc/79/35/20/1101793520.db2.gz JFTJZKZJNXSZJW-CQSZACIVSA-N 2 0 331.451 2.392 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001447095420 1101982756 /nfs/dbraw/zinc/98/27/56/1101982756.db2.gz CNXYCVUFJNYZSY-INIZCTEOSA-N 2 0 327.488 2.247 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001496077438 1102019157 /nfs/dbraw/zinc/01/91/57/1102019157.db2.gz GWVCCUXKGWWBOL-AEFFLSMTSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001496133402 1102119714 /nfs/dbraw/zinc/11/97/14/1102119714.db2.gz WWQQWDLHCOXNIF-HOTGVXAUSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C2CCC2)sc1C ZINC001497207346 1102126636 /nfs/dbraw/zinc/12/66/36/1102126636.db2.gz XNCYZTASRVZMBU-LBPRGKRZSA-N 2 0 338.521 2.229 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497219440 1102144435 /nfs/dbraw/zinc/14/44/35/1102144435.db2.gz AVNGNYRYDNMTIU-GOEBONIOSA-N 2 0 336.480 2.088 10 0 EEAERP O=C(NCC1([NH2+]CCc2cccs2)CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001447196008 1102180810 /nfs/dbraw/zinc/18/08/10/1102180810.db2.gz FJTQYKGQSOZSHR-KRWDZBQOSA-N 2 0 347.528 2.261 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497275136 1102236579 /nfs/dbraw/zinc/23/65/79/1102236579.db2.gz GNMURNPKVKEIQM-GJZGRUSLSA-N 2 0 338.521 2.392 10 0 EEAERP C[C@H]1C[C@@H](C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)CCO1 ZINC001447233390 1102252945 /nfs/dbraw/zinc/25/29/45/1102252945.db2.gz KNELGGRRCMJAAW-IRXDYDNUSA-N 2 0 349.519 2.058 10 0 EEAERP CCc1nocc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001447249194 1102292980 /nfs/dbraw/zinc/29/29/80/1102292980.db2.gz WJJLJVHMDDARAN-GJZGRUSLSA-N 2 0 348.491 2.096 10 0 EEAERP COc1cccc(C[NH2+]C2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC2)c1 ZINC001447256821 1102316270 /nfs/dbraw/zinc/31/62/70/1102316270.db2.gz DTSLXBSEIQPJKB-QGZVFWFLSA-N 2 0 345.487 2.166 10 0 EEAERP C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cncs1)[NH+]1CCCCCC1 ZINC001497689610 1102909903 /nfs/dbraw/zinc/90/99/03/1102909903.db2.gz AHIMZRYMOBSIOZ-RGDDUWESSA-N 2 0 336.505 2.170 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C ZINC001447591492 1102933421 /nfs/dbraw/zinc/93/34/21/1102933421.db2.gz VVQLJPFSWIJQIR-CABCVRRESA-N 2 0 333.467 2.243 10 0 EEAERP CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001447701295 1103136636 /nfs/dbraw/zinc/13/66/36/1103136636.db2.gz CZRWYAMZBKHJOJ-QFBILLFUSA-N 2 0 329.488 2.454 10 0 EEAERP CC[N@@H+](Cc1ccccn1)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001447738944 1103205396 /nfs/dbraw/zinc/20/53/96/1103205396.db2.gz WXOWXOGROFZZOK-UHFFFAOYSA-N 2 0 346.519 2.482 10 0 EEAERP C[N@H+](CCc1cccs1)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001447766496 1103264666 /nfs/dbraw/zinc/26/46/66/1103264666.db2.gz HLJIEILHIJVGPI-JKSUJKDBSA-N 2 0 335.517 2.165 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1ccccn1 ZINC001447845565 1103433781 /nfs/dbraw/zinc/43/37/81/1103433781.db2.gz KFWIQXGHSUVOBL-HOTGVXAUSA-N 2 0 332.492 2.329 10 0 EEAERP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1C ZINC001447872608 1103488146 /nfs/dbraw/zinc/48/81/46/1103488146.db2.gz SCWADCUMPVCZIR-HZPDHXFCSA-N 2 0 347.503 2.471 10 0 EEAERP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001447873979 1103490943 /nfs/dbraw/zinc/49/09/43/1103490943.db2.gz UAOCRVUQXOQAEC-LSDHHAIUSA-N 2 0 333.476 2.162 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCCCCF)C2)CC[N@@H+]1C ZINC001494135413 1103580883 /nfs/dbraw/zinc/58/08/83/1103580883.db2.gz PHQKZVIJWMVHKN-IXDOHACOSA-N 2 0 327.488 2.247 10 0 EEAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001447932277 1103630820 /nfs/dbraw/zinc/63/08/20/1103630820.db2.gz MHVZVNDUEWWOAA-ZIAGYGMSSA-N 2 0 331.451 2.391 10 0 EEAERP C[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494179514 1103654459 /nfs/dbraw/zinc/65/44/59/1103654459.db2.gz FLKUGAPOKFAYRX-XCBOUCJHSA-N 2 0 341.499 2.432 10 0 EEAERP CN(CC(C)(C)C[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001447993148 1103757553 /nfs/dbraw/zinc/75/75/53/1103757553.db2.gz PITCALWDXNHCGL-CABCVRRESA-N 2 0 345.478 2.448 10 0 EEAERP CO[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001448319215 1104382565 /nfs/dbraw/zinc/38/25/65/1104382565.db2.gz ZQEBEYUFQXAXHB-GJZGRUSLSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCc2ccccc2)C1 ZINC001448322932 1104391540 /nfs/dbraw/zinc/39/15/40/1104391540.db2.gz TUTVNZNDARKITN-IAGOWNOFSA-N 2 0 329.488 2.007 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1c(F)cccc1F ZINC001494950268 1104594051 /nfs/dbraw/zinc/59/40/51/1104594051.db2.gz RBGOFINYCFFYGR-GUYCJALGSA-N 2 0 339.430 2.086 10 0 EEAERP CCc1nc(C)c(C[NH2+][C@H](C)CNC(=O)CC[NH+]2CCCCC2)o1 ZINC001480597673 1106737164 /nfs/dbraw/zinc/73/71/64/1106737164.db2.gz RQQSFUCKUVJRIV-CQSZACIVSA-N 2 0 336.480 2.016 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1oc(CC)nc1C ZINC001498051831 1106843867 /nfs/dbraw/zinc/84/38/67/1106843867.db2.gz YLKCBCZHLQPPCQ-DZGCQCFKSA-N 2 0 336.480 2.014 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001480770310 1107083551 /nfs/dbraw/zinc/08/35/51/1107083551.db2.gz RXWIKNDZXBHGPF-RDTXWAMCSA-N 2 0 348.491 2.374 10 0 EEAERP COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001480772293 1107085377 /nfs/dbraw/zinc/08/53/77/1107085377.db2.gz DBMRJUZXECIESB-CRAIPNDOSA-N 2 0 333.476 2.164 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480789196 1107121280 /nfs/dbraw/zinc/12/12/80/1107121280.db2.gz BCNHCKFZRIDUQW-QGZVFWFLSA-N 2 0 347.503 2.200 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)c1cccc(OC)c1 ZINC001493058637 1107416013 /nfs/dbraw/zinc/41/60/13/1107416013.db2.gz NGNSJOQFUHMLPP-MRXNPFEDSA-N 2 0 333.476 2.290 10 0 EEAERP CCc1cccc(OCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001498449169 1107552350 /nfs/dbraw/zinc/55/23/50/1107552350.db2.gz CELPRKRFORCGTD-AEFFLSMTSA-N 2 0 347.503 2.016 10 0 EEAERP CCc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001493161888 1107617393 /nfs/dbraw/zinc/61/73/93/1107617393.db2.gz WNQGGCJYTKSWTQ-LJQANCHMSA-N 2 0 329.488 2.425 10 0 EEAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498613464 1107809783 /nfs/dbraw/zinc/80/97/83/1107809783.db2.gz RBNQVOYMZFTHGM-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC001493266151 1107811484 /nfs/dbraw/zinc/81/14/84/1107811484.db2.gz CHQUHFCRWHNKIX-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001498861262 1108238521 /nfs/dbraw/zinc/23/85/21/1108238521.db2.gz CEAZYGALNNOPKX-PMACEKPBSA-N 2 0 343.515 2.228 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCc1ccccc1 ZINC001498996693 1108432971 /nfs/dbraw/zinc/43/29/71/1108432971.db2.gz BHFJDWMLJFQBFJ-MOPGFXCFSA-N 2 0 329.488 2.294 10 0 EEAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1ccccc1C[NH+]1CCCC1 ZINC001463813002 1110381104 /nfs/dbraw/zinc/38/11/04/1110381104.db2.gz SDGREKAMVDKSQW-GOSISDBHSA-N 2 0 333.451 2.333 10 0 EEAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001466626469 1110439837 /nfs/dbraw/zinc/43/98/37/1110439837.db2.gz LNYOMWATNOFTMJ-KRWDZBQOSA-N 2 0 335.467 2.447 10 0 EEAERP Cc1cc(C)cc(C[N@H+]2CC[C@H]2CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001479267199 1110672494 /nfs/dbraw/zinc/67/24/94/1110672494.db2.gz VSHBZZHRGOKSTH-IBGZPJMESA-N 2 0 329.488 2.432 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001479319751 1110680612 /nfs/dbraw/zinc/68/06/12/1110680612.db2.gz SOUUCLBQPLDXFC-ABSDTBQOSA-N 2 0 343.515 2.228 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH+](CCCF)C1 ZINC001499482540 1112314328 /nfs/dbraw/zinc/31/43/28/1112314328.db2.gz WESMDGUZYKMBAU-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001500225477 1112687454 /nfs/dbraw/zinc/68/74/54/1112687454.db2.gz KPPPJYBAEFGCIH-OCCSQVGLSA-N 2 0 341.393 2.199 10 0 EEAERP C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001501171801 1113227083 /nfs/dbraw/zinc/22/70/83/1113227083.db2.gz HYLDOFVZPVAGML-MDMSPXHWSA-N 2 0 339.499 2.436 10 0 EEAERP Cc1cc(C[NH+]2C[C@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]3C2)cs1 ZINC001501243001 1113259168 /nfs/dbraw/zinc/25/91/68/1113259168.db2.gz RTTSVZMAVQURMG-CALCHBBNSA-N 2 0 335.517 2.287 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001501392411 1113338573 /nfs/dbraw/zinc/33/85/73/1113338573.db2.gz YCDUXQDJCRCRSB-GVDBMIGSSA-N 2 0 325.472 2.142 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001501652015 1113416126 /nfs/dbraw/zinc/41/61/26/1113416126.db2.gz VLKHPTJJFDOMEE-SJWLEHQBSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)CC2)co1 ZINC001501698245 1113440424 /nfs/dbraw/zinc/44/04/24/1113440424.db2.gz ILVAOEGIKCLUOU-WKILWMFISA-N 2 0 348.491 2.232 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccns2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008921 1113556925 /nfs/dbraw/zinc/55/69/25/1113556925.db2.gz SOXDWUDHOCPKSH-ZBFHGGJFSA-N 2 0 348.516 2.289 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1)c1ccccc1 ZINC001502086312 1113582281 /nfs/dbraw/zinc/58/22/81/1113582281.db2.gz CAPYJNBZRRAKNN-PKOBYXMFSA-N 2 0 347.503 2.297 10 0 EEAERP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001502131534 1113607354 /nfs/dbraw/zinc/60/73/54/1113607354.db2.gz BVJYHVGZUDVBQA-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1c2ccccc2CC[NH+]1CC1CC1 ZINC001503692946 1113900716 /nfs/dbraw/zinc/90/07/16/1113900716.db2.gz ZLEXCJKMRHLYSM-LJQANCHMSA-N 2 0 329.488 2.452 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001505668187 1114119820 /nfs/dbraw/zinc/11/98/20/1114119820.db2.gz UYUOXCURTDCCKC-CHWSQXEVSA-N 2 0 336.480 2.149 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001505685629 1114130403 /nfs/dbraw/zinc/13/04/03/1114130403.db2.gz IGDFPMDHMMUMJY-RYUDHWBXSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCCCF ZINC001505944409 1114293589 /nfs/dbraw/zinc/29/35/89/1114293589.db2.gz VAHXRJNUFMTDCS-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1nccs1)NC(=O)C12CC[NH+](CC1)C2 ZINC001506554907 1114695921 /nfs/dbraw/zinc/69/59/21/1114695921.db2.gz HKRVSCNPRDEZBT-AWEZNQCLSA-N 2 0 336.505 2.004 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCF)C[C@H]2C1 ZINC001506855278 1114919110 /nfs/dbraw/zinc/91/91/10/1114919110.db2.gz IDQOINSXLDQSRN-BRWVUGGUSA-N 2 0 327.488 2.295 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001506936701 1114986754 /nfs/dbraw/zinc/98/67/54/1114986754.db2.gz NWPFRWAOBCXDSL-MRXNPFEDSA-N 2 0 347.503 2.412 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506951936 1115000283 /nfs/dbraw/zinc/00/02/83/1115000283.db2.gz STHAPLGKEISKEW-WBVHZDCISA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001506957757 1115005238 /nfs/dbraw/zinc/00/52/38/1115005238.db2.gz ABLGFLCYQLFZFZ-HYVNUMGLSA-N 2 0 327.488 2.388 10 0 EEAERP CCOCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001506964574 1115014204 /nfs/dbraw/zinc/01/42/04/1115014204.db2.gz TYXGNHAFZJAESX-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001507074453 1115093800 /nfs/dbraw/zinc/09/38/00/1115093800.db2.gz UBHGKTAYZRYWSE-XLIONFOSSA-N 2 0 343.515 2.398 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)n1 ZINC001507293818 1115177680 /nfs/dbraw/zinc/17/76/80/1115177680.db2.gz VVQDRKVUGNVHQR-FUHWJXTLSA-N 2 0 349.523 2.275 10 0 EEAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCOC(C)C)CC2)[NH+](C)C ZINC001507361007 1115221732 /nfs/dbraw/zinc/22/17/32/1115221732.db2.gz YLNABPPPTMPEQC-ZIFCJYIRSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001507948262 1115378204 /nfs/dbraw/zinc/37/82/04/1115378204.db2.gz HQOYHSRSSMBPDD-KBAYOESNSA-N 2 0 346.519 2.351 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001568057836 1124263603 /nfs/dbraw/zinc/26/36/03/1124263603.db2.gz YBOVMCLKUBNBCF-JFIYKMOQSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001568087778 1124292591 /nfs/dbraw/zinc/29/25/91/1124292591.db2.gz NOOZWNDFSBKOFB-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001568253980 1124388405 /nfs/dbraw/zinc/38/84/05/1124388405.db2.gz VUEXVSPHRTZUND-UHFFFAOYSA-N 2 0 327.488 2.391 10 0 EEAERP COc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001568281892 1124402646 /nfs/dbraw/zinc/40/26/46/1124402646.db2.gz YZNLCNUDJUHQDV-APWZRJJASA-N 2 0 347.503 2.159 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568400478 1124470429 /nfs/dbraw/zinc/47/04/29/1124470429.db2.gz LGANSEKZJIZWFV-MSOLQXFVSA-N 2 0 344.503 2.203 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001568515446 1124577406 /nfs/dbraw/zinc/57/74/06/1124577406.db2.gz LEWOUZHRWQPVCN-IAGOWNOFSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@@H](CC[NH2+]Cc1csc(Cl)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568645199 1124657559 /nfs/dbraw/zinc/65/75/59/1124657559.db2.gz CPANBLHSEGFQRA-WCQYABFASA-N 2 0 344.912 2.265 10 0 EEAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001568645738 1124658431 /nfs/dbraw/zinc/65/84/31/1124658431.db2.gz KAZCHEYRWNVLGD-AWEZNQCLSA-N 2 0 348.491 2.152 10 0 EEAERP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568788429 1124800517 /nfs/dbraw/zinc/80/05/17/1124800517.db2.gz MAWJWOYVUCGCPO-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001568950958 1124984211 /nfs/dbraw/zinc/98/42/11/1124984211.db2.gz MUTVCVKRKSXMTI-CWDCEQMOSA-N 2 0 333.451 2.238 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001568952047 1124986855 /nfs/dbraw/zinc/98/68/55/1124986855.db2.gz UOXJMWHNCLBPAP-RITUYPHNSA-N 2 0 345.462 2.417 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001568964144 1124999438 /nfs/dbraw/zinc/99/94/38/1124999438.db2.gz PJAWXWOYJDLPLB-BVBZKVNYSA-N 2 0 331.435 2.027 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964607 1125001878 /nfs/dbraw/zinc/00/18/78/1125001878.db2.gz VLFCYGPHMCYTEK-GLAGEYFUSA-N 2 0 337.414 2.240 10 0 EEAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001569118926 1125110098 /nfs/dbraw/zinc/11/00/98/1125110098.db2.gz XKAWMHCSOYSLGF-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001569214759 1125170842 /nfs/dbraw/zinc/17/08/42/1125170842.db2.gz QAZDQUBQANBHKO-LJQANCHMSA-N 2 0 347.503 2.255 10 0 EEAERP CN(CCC[NH2+]Cc1sccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001569267056 1125206555 /nfs/dbraw/zinc/20/65/55/1125206555.db2.gz LQBRNSRNWZFEJH-UHFFFAOYSA-N 2 0 329.897 2.435 10 0 EEAERP C[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000372267573 282081343 /nfs/dbraw/zinc/08/13/43/282081343.db2.gz SBFGVAXPGSFJRS-OALUTQOASA-N 2 0 344.503 2.415 10 0 EEAERP C[NH+](Cc1ccccc1C[N@@H+](C)CC1(CO)CC1)CC1(CO)CC1 ZINC000190028522 530001399 /nfs/dbraw/zinc/00/13/99/530001399.db2.gz CTGNXFXVAYKGFD-UHFFFAOYSA-N 2 0 332.488 2.095 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000067269542 215130340 /nfs/dbraw/zinc/13/03/40/215130340.db2.gz QTWHIBHSQXOGQD-KRWDZBQOSA-N 2 0 347.503 2.477 10 0 EEAERP C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067908056 215246741 /nfs/dbraw/zinc/24/67/41/215246741.db2.gz REWGVZBPXJZZDK-SFKKXYGYSA-N 2 0 331.460 2.393 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416169810 239095623 /nfs/dbraw/zinc/09/56/23/239095623.db2.gz HFSVTKIBCBZIDS-OALUTQOASA-N 2 0 329.488 2.424 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422770757 240218099 /nfs/dbraw/zinc/21/80/99/240218099.db2.gz XEGVZMCCLDVFGF-ZIAGYGMSSA-N 2 0 343.418 2.210 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NCCCNc2ccccn2)CC1 ZINC000120394489 292253876 /nfs/dbraw/zinc/25/38/76/292253876.db2.gz IPEPXYCGJJDMDD-UHFFFAOYSA-N 2 0 333.480 2.303 10 0 EEAERP CC[N@H+](CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(C)C ZINC000115694075 152035598 /nfs/dbraw/zinc/03/55/98/152035598.db2.gz TVJYNEBQPLBDPT-UHFFFAOYSA-N 2 0 338.471 2.417 10 0 EEAERP C(CCCN1CC[N@@H+]2CCC[C@@H]2C1)CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000172656193 152105956 /nfs/dbraw/zinc/10/59/56/152105956.db2.gz MKPCUDOBGTVCEK-WOJBJXKFSA-N 2 0 334.552 2.107 10 0 EEAERP C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCC1 ZINC000127962455 292333737 /nfs/dbraw/zinc/33/37/37/292333737.db2.gz WMWCXIWGJDRMBI-IEBWSBKVSA-N 2 0 346.519 2.190 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000074713254 159069040 /nfs/dbraw/zinc/06/90/40/159069040.db2.gz TTWRPIVCPKCSOJ-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000245423301 160233686 /nfs/dbraw/zinc/23/36/86/160233686.db2.gz BETYFXGCLQLSEA-HKUYNNGSSA-N 2 0 344.503 2.387 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245647899 160245929 /nfs/dbraw/zinc/24/59/29/160245929.db2.gz MATCEYBAIZQSFH-NXHRZFHOSA-N 2 0 332.492 2.461 10 0 EEAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246335531 160274804 /nfs/dbraw/zinc/27/48/04/160274804.db2.gz OOIACXYIULWJEB-VQTPCSAVSA-N 2 0 336.524 2.421 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000246501869 160282107 /nfs/dbraw/zinc/28/21/07/160282107.db2.gz SECKJLJXQNHRKY-FUHWJXTLSA-N 2 0 336.524 2.233 10 0 EEAERP CC[C@@](C)(O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352895974 162336741 /nfs/dbraw/zinc/33/67/41/162336741.db2.gz GNEWYXMUNIHOJT-WOJBJXKFSA-N 2 0 331.504 2.040 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000354979326 163039244 /nfs/dbraw/zinc/03/92/44/163039244.db2.gz LEPPGVRKGLAKSO-QRQLOZEOSA-N 2 0 344.503 2.385 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1cccnc1 ZINC000359929014 164198386 /nfs/dbraw/zinc/19/83/86/164198386.db2.gz CGAUVKYHOLSCOR-PKOBYXMFSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000375854760 167212247 /nfs/dbraw/zinc/21/22/47/167212247.db2.gz WDKORRINFUXXKE-OKZBNKHCSA-N 2 0 333.451 2.408 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](CC)CC ZINC000275572471 269125968 /nfs/dbraw/zinc/12/59/68/269125968.db2.gz FIGVAUQKSRDXKC-MOPGFXCFSA-N 2 0 346.519 2.482 10 0 EEAERP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290425139 275206229 /nfs/dbraw/zinc/20/62/29/275206229.db2.gz OYAKJNIHRVNSFO-SFHVURJKSA-N 2 0 339.455 2.382 10 0 EEAERP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000182053175 276024271 /nfs/dbraw/zinc/02/42/71/276024271.db2.gz GOSRCQWORNZXOO-CVEARBPZSA-N 2 0 331.460 2.218 10 0 EEAERP COC(=O)C(C)(C)CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414519789 313035762 /nfs/dbraw/zinc/03/57/62/313035762.db2.gz BQBRVDHLTAWDIQ-UHFFFAOYSA-N 2 0 348.487 2.192 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416813071 313323552 /nfs/dbraw/zinc/32/35/52/313323552.db2.gz UCTUQIZERATROB-IEBWSBKVSA-N 2 0 330.476 2.074 10 0 EEAERP C[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416870632 313342432 /nfs/dbraw/zinc/34/24/32/313342432.db2.gz IQHDJMOQUJUAHI-LJQANCHMSA-N 2 0 330.476 2.163 10 0 EEAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417016361 313396221 /nfs/dbraw/zinc/39/62/21/313396221.db2.gz GASSBDOMHNYCSR-RBUKOAKNSA-N 2 0 342.487 2.359 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417539500 313536493 /nfs/dbraw/zinc/53/64/93/313536493.db2.gz VLRVBKIRBVVIJE-IAGOWNOFSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000417664744 313560633 /nfs/dbraw/zinc/56/06/33/313560633.db2.gz XGQVYKSQAPGACU-BBRMVZONSA-N 2 0 336.455 2.014 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000418183580 313739112 /nfs/dbraw/zinc/73/91/12/313739112.db2.gz OLLZXDTXJZYOSD-ATLSCFEFSA-N 2 0 332.492 2.283 10 0 EEAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000418586110 313853489 /nfs/dbraw/zinc/85/34/89/313853489.db2.gz ZJMRCENHAVONGR-HKUYNNGSSA-N 2 0 346.519 2.190 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448851317 315392459 /nfs/dbraw/zinc/39/24/59/315392459.db2.gz CGBVWIAEAKZPHP-BFHYXJOUSA-N 2 0 335.414 2.059 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000527480608 317199108 /nfs/dbraw/zinc/19/91/08/317199108.db2.gz AVLBDGGJSHVJHQ-SJLPKXTDSA-N 2 0 332.492 2.140 10 0 EEAERP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000527497789 317201367 /nfs/dbraw/zinc/20/13/67/317201367.db2.gz BYMXENLWQCHECM-ULQDDVLXSA-N 2 0 330.476 2.493 10 0 EEAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000529668963 317625209 /nfs/dbraw/zinc/62/52/09/317625209.db2.gz JYQJVPBAZAORQX-IBGZPJMESA-N 2 0 336.439 2.467 10 0 EEAERP CN(CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cc[nH+]cc1 ZINC000542785290 318139974 /nfs/dbraw/zinc/13/99/74/318139974.db2.gz MWFVXGQPKXJXKU-KRWDZBQOSA-N 2 0 330.476 2.242 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)CC1 ZINC000543246810 318153879 /nfs/dbraw/zinc/15/38/79/318153879.db2.gz PPEBTZLXJHXGNY-SFHVURJKSA-N 2 0 329.488 2.385 10 0 EEAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000563423593 319009753 /nfs/dbraw/zinc/00/97/53/319009753.db2.gz GYUCAZPOILHODB-IEBWSBKVSA-N 2 0 329.488 2.470 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000563604500 319029120 /nfs/dbraw/zinc/02/91/20/319029120.db2.gz PYLLYUXFQWACMJ-UHOSZYNNSA-N 2 0 344.503 2.420 10 0 EEAERP CC(C)([NH3+])c1nocc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000570739479 319692876 /nfs/dbraw/zinc/69/28/76/319692876.db2.gz VBQWRTZDRXGTFQ-UHFFFAOYSA-N 2 0 335.433 2.044 10 0 EEAERP CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000579602419 323891143 /nfs/dbraw/zinc/89/11/43/323891143.db2.gz CCQBUWMJYUFXAN-UHFFFAOYSA-N 2 0 329.488 2.411 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000337324813 465306024 /nfs/dbraw/zinc/30/60/24/465306024.db2.gz NKKUSOSTDXLZKE-OAHLLOKOSA-N 2 0 336.480 2.479 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000568153087 468278486 /nfs/dbraw/zinc/27/84/86/468278486.db2.gz WCGWRABJJQIEDJ-UHFFFAOYSA-N 2 0 337.467 2.366 10 0 EEAERP Cc1nc(N(C)C)nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000521053427 468286478 /nfs/dbraw/zinc/28/64/78/468286478.db2.gz IMZVKTOZFRNLDN-UHFFFAOYSA-N 2 0 349.442 2.121 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000129033652 462686096 /nfs/dbraw/zinc/68/60/96/462686096.db2.gz VCGIDRKYWOXAKJ-SJORKVTESA-N 2 0 326.529 2.384 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1C[NH+]1CCCC1 ZINC000089885246 462733931 /nfs/dbraw/zinc/73/39/31/462733931.db2.gz WFIIHBQTZGWVBU-OAHLLOKOSA-N 2 0 333.476 2.466 10 0 EEAERP C[NH+]1CCN([C@H]2CCCCN(Cc3cnc(Cl)s3)C2)CC1 ZINC000158989698 463263524 /nfs/dbraw/zinc/26/35/24/463263524.db2.gz RCONEEJNZKOLGM-ZDUSSCGKSA-N 2 0 328.913 2.398 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000138160581 463304144 /nfs/dbraw/zinc/30/41/44/463304144.db2.gz KOFHSOAGRPLOOM-ZWKOTPCHSA-N 2 0 336.524 2.234 10 0 EEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000106123129 463506208 /nfs/dbraw/zinc/50/62/08/463506208.db2.gz IMIFQQWFMCHZOA-IBGZPJMESA-N 2 0 335.467 2.053 10 0 EEAERP COCCN1CC[C@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000286883797 463732713 /nfs/dbraw/zinc/73/27/13/463732713.db2.gz COGFFOWAVPPCMI-ICSRJNTNSA-N 2 0 349.519 2.387 10 0 EEAERP COC1(C[C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CCC1 ZINC000277114312 463877854 /nfs/dbraw/zinc/87/78/54/463877854.db2.gz MWPPPBCQKAPHAC-MRXNPFEDSA-N 2 0 332.492 2.271 10 0 EEAERP C[C@@H]1C[C@@H](N(C)Cc2noc(CN)n2)CC[N@@H+]1Cc1ccccc1 ZINC000262225831 463978176 /nfs/dbraw/zinc/97/81/76/463978176.db2.gz NFPWKWUWMSXZOA-ZBFHGGJFSA-N 2 0 329.448 2.013 10 0 EEAERP Brc1cncc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000186591219 464029135 /nfs/dbraw/zinc/02/91/35/464029135.db2.gz VEHVNGIGEQJHSC-UHFFFAOYSA-N 2 0 328.254 2.046 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000271578457 464336119 /nfs/dbraw/zinc/33/61/19/464336119.db2.gz ZYAVKNDHGKOBQA-HKUYNNGSSA-N 2 0 332.488 2.276 10 0 EEAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000238015675 464420117 /nfs/dbraw/zinc/42/01/17/464420117.db2.gz MUCQGXIACRTNLL-IBGZPJMESA-N 2 0 327.472 2.208 10 0 EEAERP CC(C)c1noc([C@H](C)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000174881641 464463312 /nfs/dbraw/zinc/46/33/12/464463312.db2.gz HIJDKFMHLQQMBH-HOTGVXAUSA-N 2 0 335.496 2.356 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000175451146 464553195 /nfs/dbraw/zinc/55/31/95/464553195.db2.gz DIUFJJHNFHXUMX-QRQLOZEOSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000247290494 464665411 /nfs/dbraw/zinc/66/54/11/464665411.db2.gz GXENNUFJCMDAEM-YJBOKZPZSA-N 2 0 334.508 2.272 10 0 EEAERP Cc1ccn2cc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)nc2c1 ZINC000266755769 464809812 /nfs/dbraw/zinc/80/98/12/464809812.db2.gz OJFKLZFIIBMJNZ-HOCLYGCPSA-N 2 0 329.448 2.267 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000183520701 464874162 /nfs/dbraw/zinc/87/41/62/464874162.db2.gz IYHFCNMULPSOOF-UHFFFAOYSA-N 2 0 342.443 2.018 10 0 EEAERP C[NH+](C)CCCOc1ccc(CNCc2cn3cccnc3n2)cc1 ZINC000298487944 465410075 /nfs/dbraw/zinc/41/00/75/465410075.db2.gz PXKOMDSVHRZECK-UHFFFAOYSA-N 2 0 339.443 2.350 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234175 465659191 /nfs/dbraw/zinc/65/91/91/465659191.db2.gz CGESNGZOJXTJIV-HZPDHXFCSA-N 2 0 327.538 2.052 10 0 EEAERP COc1ccc(F)cc1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000360954678 465660701 /nfs/dbraw/zinc/66/07/01/465660701.db2.gz OEHSVGUIQNCLSJ-INIZCTEOSA-N 2 0 339.455 2.016 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353500583 465936059 /nfs/dbraw/zinc/93/60/59/465936059.db2.gz FZFXWHKECRZKHK-ZUXXIDCJSA-N 2 0 340.414 2.167 10 0 EEAERP C[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353521804 465948833 /nfs/dbraw/zinc/94/88/33/465948833.db2.gz SQGCPYSIVJKRPE-PLACYPQZSA-N 2 0 343.515 2.086 10 0 EEAERP CCOC(=O)c1cccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000600119894 468465432 /nfs/dbraw/zinc/46/54/32/468465432.db2.gz DQYQRZXJNSZDBL-MRXNPFEDSA-N 2 0 331.460 2.422 10 0 EEAERP Cc1ccc2[nH+]ccc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2c1 ZINC000302204386 466120386 /nfs/dbraw/zinc/12/03/86/466120386.db2.gz CMLBVASSGLZPQX-IBGZPJMESA-N 2 0 338.455 2.286 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000338464818 466148333 /nfs/dbraw/zinc/14/83/33/466148333.db2.gz SRYQIMYOICTGBN-NXHRZFHOSA-N 2 0 330.476 2.215 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536606 466204867 /nfs/dbraw/zinc/20/48/67/466204867.db2.gz OOZZUNCPAKWOSC-LJQANCHMSA-N 2 0 345.487 2.123 10 0 EEAERP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349806807 466249325 /nfs/dbraw/zinc/24/93/25/466249325.db2.gz LBYLFQFRMGJBGI-IEBWSBKVSA-N 2 0 342.487 2.139 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662411877 472101795 /nfs/dbraw/zinc/10/17/95/472101795.db2.gz ZDMMEOAZENKVIU-CQSZACIVSA-N 2 0 330.432 2.422 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417524922 466877224 /nfs/dbraw/zinc/87/72/24/466877224.db2.gz ACXKGRFWLFOJSX-NUJGCVRESA-N 2 0 336.524 2.280 10 0 EEAERP COc1ccc(CN2CC[C@@H]([NH2+]Cc3cncn3C(C)C)C2=O)cc1 ZINC000424137078 466987413 /nfs/dbraw/zinc/98/74/13/466987413.db2.gz BPPZXXNKKPHOCY-GOSISDBHSA-N 2 0 342.443 2.363 10 0 EEAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214222 467005467 /nfs/dbraw/zinc/00/54/67/467005467.db2.gz CCNBUZAMIPEUSL-IPMKNSEASA-N 2 0 341.499 2.498 10 0 EEAERP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000377128024 467036610 /nfs/dbraw/zinc/03/66/10/467036610.db2.gz NXKQOZKHHAGTJD-OTWHNJEPSA-N 2 0 331.460 2.486 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccco1 ZINC000418160379 467062713 /nfs/dbraw/zinc/06/27/13/467062713.db2.gz CYQRKJWQBORHOL-MWDXBVQZSA-N 2 0 348.491 2.350 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000377556088 467085818 /nfs/dbraw/zinc/08/58/18/467085818.db2.gz YDMPCWMHQPGFCU-GUDVDZBRSA-N 2 0 346.519 2.375 10 0 EEAERP [NH3+]CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418319319 467092132 /nfs/dbraw/zinc/09/21/32/467092132.db2.gz ANWLPZLAFFJQLI-QZTJIDSGSA-N 2 0 330.476 2.031 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000418367365 467099792 /nfs/dbraw/zinc/09/97/92/467099792.db2.gz ZJSUOGUNJOMURI-SFHVURJKSA-N 2 0 341.459 2.038 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418568262 467129756 /nfs/dbraw/zinc/12/97/56/467129756.db2.gz HCIMYKQTIJRBHJ-SJLPKXTDSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418578229 467131230 /nfs/dbraw/zinc/13/12/30/467131230.db2.gz PSNYLRSUWDWELH-KZNAEPCWSA-N 2 0 336.524 2.282 10 0 EEAERP [NH3+]CCC[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000418680808 467145694 /nfs/dbraw/zinc/14/56/94/467145694.db2.gz UZUXKZAWTKONIU-PKOBYXMFSA-N 2 0 330.476 2.252 10 0 EEAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418699553 467147453 /nfs/dbraw/zinc/14/74/53/467147453.db2.gz NYPTVNWSFSDJPI-KBPBESRZSA-N 2 0 326.510 2.337 10 0 EEAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372713 467382182 /nfs/dbraw/zinc/38/21/82/467382182.db2.gz LUUSBTCHLLMWQA-HOTGVXAUSA-N 2 0 342.443 2.487 10 0 EEAERP C[N@H+](C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000390844268 467415720 /nfs/dbraw/zinc/41/57/20/467415720.db2.gz FZGYPBLHGBODIC-KRIYCRJKSA-N 2 0 343.515 2.227 10 0 EEAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CC[NH2+]CC1 ZINC000414863986 467441396 /nfs/dbraw/zinc/44/13/96/467441396.db2.gz BEMRYOBPDHAANB-LBPRGKRZSA-N 2 0 344.272 2.014 10 0 EEAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415043525 467474573 /nfs/dbraw/zinc/47/45/73/467474573.db2.gz RPHHKGBSEFFHMF-RISCZKNCSA-N 2 0 345.256 2.487 10 0 EEAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449515255 467655325 /nfs/dbraw/zinc/65/53/25/467655325.db2.gz YRNLMGKQJKJKJO-SJORKVTESA-N 2 0 328.416 2.397 10 0 EEAERP COC[C@@H](C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514757759 467953037 /nfs/dbraw/zinc/95/30/37/467953037.db2.gz DQWFGHYHBDZMNV-AZUAARDMSA-N 2 0 331.504 2.161 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)CCCc2ccccc2)CC1 ZINC000515348020 467987006 /nfs/dbraw/zinc/98/70/06/467987006.db2.gz SSMCTIBRXWKNQQ-FQEVSTJZSA-N 2 0 347.547 2.233 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000516026247 468010477 /nfs/dbraw/zinc/01/04/77/468010477.db2.gz YZZPFCSOEWKBKI-ZMSDIMECSA-N 2 0 348.466 2.075 10 0 EEAERP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594493339 468608004 /nfs/dbraw/zinc/60/80/04/468608004.db2.gz CHVCSFXERIKPRQ-SFHVURJKSA-N 2 0 334.460 2.409 10 0 EEAERP C[C@H](C(=O)NCc1cn2c(n1)CCCC2)N1CCc2ccccc2C1 ZINC000600987606 468708674 /nfs/dbraw/zinc/70/86/74/468708674.db2.gz DQQRLWFORSBVCL-OAHLLOKOSA-N 2 0 338.455 2.282 10 0 EEAERP COc1ccccc1[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCCC1 ZINC000561061448 468861241 /nfs/dbraw/zinc/86/12/41/468861241.db2.gz BTHCNZLWKAFTPP-AEFFLSMTSA-N 2 0 345.487 2.290 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000584478048 468881912 /nfs/dbraw/zinc/88/19/12/468881912.db2.gz FSOLPKJCLGQEOM-HOTGVXAUSA-N 2 0 330.476 2.065 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000584664078 468911444 /nfs/dbraw/zinc/91/14/44/468911444.db2.gz VPZBUBGPLUPPOU-AWEZNQCLSA-N 2 0 339.430 2.197 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586866358 469080952 /nfs/dbraw/zinc/08/09/52/469080952.db2.gz XLBSRAXUGUIMEB-OALUTQOASA-N 2 0 344.503 2.292 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000593730998 469112865 /nfs/dbraw/zinc/11/28/65/469112865.db2.gz RAXHQBBAPPQOIX-CFVMTHIKSA-N 2 0 338.473 2.396 10 0 EEAERP COC(=O)c1cnc([C@H]2CCCN(C[C@@H]([NH3+])CC(C)C)C2)s1 ZINC000596106355 469157607 /nfs/dbraw/zinc/15/76/07/469157607.db2.gz OYBITSYQTARROC-STQMWFEESA-N 2 0 325.478 2.483 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000622417286 469436200 /nfs/dbraw/zinc/43/62/00/469436200.db2.gz WINNNSWTRBAUTC-UHFFFAOYSA-N 2 0 347.463 2.015 10 0 EEAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1Cl ZINC000629387962 469528570 /nfs/dbraw/zinc/52/85/70/469528570.db2.gz OBYXKTQDSSABAA-ZDUSSCGKSA-N 2 0 339.867 2.463 10 0 EEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629550648 469575421 /nfs/dbraw/zinc/57/54/21/469575421.db2.gz ORJIOXWPSBKAGW-RLLQIKCJSA-N 2 0 346.519 2.183 10 0 EEAERP CC[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623359531 469633882 /nfs/dbraw/zinc/63/38/82/469633882.db2.gz VJLPONQWBQNYCA-SFHVURJKSA-N 2 0 345.535 2.186 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)CC1(C)C ZINC000623535295 469686727 /nfs/dbraw/zinc/68/67/27/469686727.db2.gz UIHHJAPIDHYTJU-CYBMUJFWSA-N 2 0 342.281 2.073 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cccc(OC)c1 ZINC000626927112 469757590 /nfs/dbraw/zinc/75/75/90/469757590.db2.gz TWPKURYTRUVWJZ-BMGDILEWSA-N 2 0 348.491 2.128 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000626931888 469760013 /nfs/dbraw/zinc/76/00/13/469760013.db2.gz NSDRUXOFGZNXCS-TXPKVOOTSA-N 2 0 344.503 2.468 10 0 EEAERP CC[NH+]1CCC(CC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000608062152 469766291 /nfs/dbraw/zinc/76/62/91/469766291.db2.gz XHFUVRCFOWZGBF-UHFFFAOYSA-N 2 0 339.505 2.270 10 0 EEAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000626974465 469773980 /nfs/dbraw/zinc/77/39/80/469773980.db2.gz GRQVYINPHZRVCI-DOTOQJQBSA-N 2 0 330.476 2.091 10 0 EEAERP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623853333 469779932 /nfs/dbraw/zinc/77/99/32/469779932.db2.gz UOTTUQYOKLTMDS-UYAOXDASSA-N 2 0 331.504 2.351 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000626994997 469781770 /nfs/dbraw/zinc/78/17/70/469781770.db2.gz NJFHTPLIJNEBHP-JFRXWTBNSA-N 2 0 344.503 2.479 10 0 EEAERP CCC1(CNC(=O)N[C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000627003843 469786054 /nfs/dbraw/zinc/78/60/54/469786054.db2.gz CMVCXYLYQMFOKJ-GOSISDBHSA-N 2 0 344.503 2.340 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@@H]1c1ccccc1 ZINC000627006661 469787855 /nfs/dbraw/zinc/78/78/55/469787855.db2.gz ZBLDVHDWHWMGGD-QGZVKYPTSA-N 2 0 342.487 2.073 10 0 EEAERP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC/C=C\C[NH3+] ZINC000627094248 469811813 /nfs/dbraw/zinc/81/18/13/469811813.db2.gz WDADAJPVBDBYOU-HPFMTEOYSA-N 2 0 330.476 2.053 10 0 EEAERP CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617924280 469839164 /nfs/dbraw/zinc/83/91/64/469839164.db2.gz RLLCCMFCURPHIH-IAGOWNOFSA-N 2 0 339.549 2.147 10 0 EEAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000624175744 469866057 /nfs/dbraw/zinc/86/60/57/469866057.db2.gz WFQWOGLJTSYATK-UWHLTILDSA-N 2 0 343.515 2.207 10 0 EEAERP C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000624343495 469911732 /nfs/dbraw/zinc/91/17/32/469911732.db2.gz WEMUTSOANOFNIE-DNVCBOLYSA-N 2 0 345.487 2.431 10 0 EEAERP [NH3+][C@@H](c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C1CCOCC1 ZINC000630591809 469914224 /nfs/dbraw/zinc/91/42/24/469914224.db2.gz HPBNSOSFSIOHCM-IEBWSBKVSA-N 2 0 341.459 2.152 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000620966140 469962001 /nfs/dbraw/zinc/96/20/01/469962001.db2.gz AWDYBCZZIDFWLT-RTBURBONSA-N 2 0 347.503 2.249 10 0 EEAERP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000620976681 469966012 /nfs/dbraw/zinc/96/60/12/469966012.db2.gz KQPJEVFCFJSQPM-OALUTQOASA-N 2 0 347.503 2.249 10 0 EEAERP Brc1cnccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000631041981 470054248 /nfs/dbraw/zinc/05/42/48/470054248.db2.gz FATSMADDDYHKFQ-UHFFFAOYSA-N 2 0 328.254 2.046 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000631837166 470186556 /nfs/dbraw/zinc/18/65/56/470186556.db2.gz NWIDQUAVHWDPAP-ROUUACIJSA-N 2 0 345.512 2.329 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@@H](N)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000634557962 470266566 /nfs/dbraw/zinc/26/65/66/470266566.db2.gz LOUWQQPAEAETQO-QGZVFWFLSA-N 2 0 337.427 2.327 10 0 EEAERP O[C@@]1(CNCc2ccc3c[nH+]cn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715984 470285563 /nfs/dbraw/zinc/28/55/63/470285563.db2.gz MVGKVSLFZJKFES-HXUWFJFHSA-N 2 0 336.439 2.061 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)CC[N@@H+]1C ZINC000648806695 470354904 /nfs/dbraw/zinc/35/49/04/470354904.db2.gz UNCUNWYZQRKMDO-ZHALLVOQSA-N 2 0 329.488 2.450 10 0 EEAERP [NH3+]C/C=C\CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000641870581 470505828 /nfs/dbraw/zinc/50/58/28/470505828.db2.gz WCRDNAZZCZNBEE-FBQMEGEOSA-N 2 0 342.487 2.199 10 0 EEAERP C[NH+](C)CC1(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCCC1 ZINC000646191917 470560577 /nfs/dbraw/zinc/56/05/77/470560577.db2.gz FZALAIWVCDTQRZ-SFHVURJKSA-N 2 0 344.503 2.376 10 0 EEAERP C[C@H]1C[C@H](NC(=O)COC2CCC([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000646220934 470569520 /nfs/dbraw/zinc/56/95/20/470569520.db2.gz QUGKXMTZQLCSDK-BARLLCKDSA-N 2 0 345.487 2.052 10 0 EEAERP CC[C@@H]1CN(CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1[NH3+] ZINC000649416593 470580986 /nfs/dbraw/zinc/58/09/86/470580986.db2.gz FSHILTLWZXCBDE-IAGOWNOFSA-N 2 0 347.507 2.461 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453206 470701925 /nfs/dbraw/zinc/70/19/25/470701925.db2.gz OUTLOCIXMRHOME-KGLIPLIRSA-N 2 0 327.419 2.135 10 0 EEAERP Cn1cnc(CCC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000647230702 470863627 /nfs/dbraw/zinc/86/36/27/470863627.db2.gz IQXUJSCYQDKEHN-UHFFFAOYSA-N 2 0 343.475 2.012 10 0 EEAERP C[C@H]1CN(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657295758 471088292 /nfs/dbraw/zinc/08/82/92/471088292.db2.gz XHRYFFWBYTUJNC-HOTGVXAUSA-N 2 0 343.475 2.245 10 0 EEAERP COCc1cnc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535928 471164067 /nfs/dbraw/zinc/16/40/67/471164067.db2.gz TVWJLWBZCCINNP-UHFFFAOYSA-N 2 0 339.505 2.270 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000657573756 471172218 /nfs/dbraw/zinc/17/22/18/471172218.db2.gz SKLJQLYCIYEVPV-CADBVGFASA-N 2 0 325.541 2.443 10 0 EEAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648448494 471208965 /nfs/dbraw/zinc/20/89/65/471208965.db2.gz MJNCBMQMWKOPJF-OALUTQOASA-N 2 0 329.488 2.111 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000652137263 471242730 /nfs/dbraw/zinc/24/27/30/471242730.db2.gz DVRFLTZGGKYYQN-HOTGVXAUSA-N 2 0 332.492 2.326 10 0 EEAERP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139492 471270181 /nfs/dbraw/zinc/27/01/81/471270181.db2.gz MAPLNGKMANSFTJ-RDTXWAMCSA-N 2 0 328.460 2.146 10 0 EEAERP O=C1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)N1 ZINC000658257952 471280958 /nfs/dbraw/zinc/28/09/58/471280958.db2.gz UXESCRKNIDTKFI-MANSERQUSA-N 2 0 327.472 2.298 10 0 EEAERP CCN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663416400 471365172 /nfs/dbraw/zinc/36/51/72/471365172.db2.gz PBUBVWFQBFJPJO-QZTJIDSGSA-N 2 0 332.492 2.415 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000663503131 471402477 /nfs/dbraw/zinc/40/24/77/471402477.db2.gz DSFKIOAPYYKBPO-UHFFFAOYSA-N 2 0 343.393 2.184 10 0 EEAERP CC[NH+]1CCN(c2ccc(CN[C@@H]3CCCn4ccnc43)cn2)CC1 ZINC000655692390 471444790 /nfs/dbraw/zinc/44/47/90/471444790.db2.gz PNWDWTASMZFYPK-QGZVFWFLSA-N 2 0 340.475 2.045 10 0 EEAERP CCN(C(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000663636715 471457295 /nfs/dbraw/zinc/45/72/95/471457295.db2.gz ZTFGVEBEYVEILN-IBGZPJMESA-N 2 0 344.503 2.170 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659038921 471481321 /nfs/dbraw/zinc/48/13/21/471481321.db2.gz DRARDSKUOCIFQU-GOSISDBHSA-N 2 0 348.491 2.447 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659044840 471486013 /nfs/dbraw/zinc/48/60/13/471486013.db2.gz WCPZGNMPTALNTK-KRWDZBQOSA-N 2 0 334.464 2.153 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902456 471544196 /nfs/dbraw/zinc/54/41/96/471544196.db2.gz KTFIQDJHVFJWHS-MOPGFXCFSA-N 2 0 332.488 2.347 10 0 EEAERP CCC(C)(C)[NH+]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000655962828 471558227 /nfs/dbraw/zinc/55/82/27/471558227.db2.gz RJHXDBBYDPXRIH-UHFFFAOYSA-N 2 0 347.507 2.077 10 0 EEAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])COC(C)C ZINC000659285961 471566609 /nfs/dbraw/zinc/56/66/09/471566609.db2.gz UMPHDUCPRDJFAN-MOPGFXCFSA-N 2 0 347.503 2.109 10 0 EEAERP CSc1ccc([C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)cc1 ZINC000659498952 471657161 /nfs/dbraw/zinc/65/71/61/471657161.db2.gz ZREAOPGVGPEZDW-CRPOECCBSA-N 2 0 348.516 2.144 10 0 EEAERP [NH3+][C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000659519432 471664849 /nfs/dbraw/zinc/66/48/49/471664849.db2.gz IJJQHTDRXWVNPW-CEXWTWQISA-N 2 0 338.455 2.131 10 0 EEAERP CC[NH+](CC)CCCC1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616970 471700590 /nfs/dbraw/zinc/70/05/90/471700590.db2.gz YZUKLFYHOFTNQF-UHFFFAOYSA-N 2 0 336.524 2.282 10 0 EEAERP c1c(C[C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656455428 471722672 /nfs/dbraw/zinc/72/26/72/471722672.db2.gz GVADZSUBEFOZHC-PKOBYXMFSA-N 2 0 325.460 2.267 10 0 EEAERP CCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664349943 471726881 /nfs/dbraw/zinc/72/68/81/471726881.db2.gz NBLMRDNOPDEYFT-SFHVURJKSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000659909120 471789515 /nfs/dbraw/zinc/78/95/15/471789515.db2.gz INQJGPXRCMPMTE-ZCNNSNEGSA-N 2 0 336.568 2.066 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660276009 471924782 /nfs/dbraw/zinc/92/47/82/471924782.db2.gz KCKOFZCRFUWNOO-UHFFFAOYSA-N 2 0 332.492 2.231 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000665288881 471991461 /nfs/dbraw/zinc/99/14/61/471991461.db2.gz ABCSOLKCGUVKGU-GOSISDBHSA-N 2 0 345.487 2.350 10 0 EEAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662269630 472051144 /nfs/dbraw/zinc/05/11/44/472051144.db2.gz BUXILBZUIVOIHH-SLFFLAALSA-N 3 0 343.515 2.180 10 0 EEAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000662324358 472071453 /nfs/dbraw/zinc/07/14/53/472071453.db2.gz WHBAXMUDLVSRRZ-QGZVFWFLSA-N 2 0 337.439 2.197 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662386829 472093963 /nfs/dbraw/zinc/09/39/63/472093963.db2.gz NROVOMHQFLFMAU-GASCZTMLSA-N 2 0 348.491 2.239 10 0 EEAERP O=C(NCC1([NH+]2CCSCC2)CCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662684528 472205085 /nfs/dbraw/zinc/20/50/85/472205085.db2.gz DNTXFKSFPDKLRR-UHFFFAOYSA-N 2 0 337.533 2.139 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662695314 472211512 /nfs/dbraw/zinc/21/15/12/472211512.db2.gz JSYZCLYOSAPOEN-BETUJISGSA-N 2 0 336.480 2.355 10 0 EEAERP COc1ccc(Cl)c(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000665862581 472217096 /nfs/dbraw/zinc/21/70/96/472217096.db2.gz GCUKBCNHKTVIFC-UHFFFAOYSA-N 2 0 342.871 2.354 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673860223 485557207 /nfs/dbraw/zinc/55/72/07/485557207.db2.gz AOPCUQOCKOTCMX-UHFFFAOYSA-N 2 0 328.420 2.073 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000673862508 485559129 /nfs/dbraw/zinc/55/91/29/485559129.db2.gz BHMFRWYEWHESSV-UHFFFAOYSA-N 2 0 326.404 2.016 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000570682001 485570944 /nfs/dbraw/zinc/57/09/44/485570944.db2.gz ZRTYAZFFYZNCHE-FGTMMUONSA-N 2 0 333.451 2.343 10 0 EEAERP CO[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684373872 485862632 /nfs/dbraw/zinc/86/26/32/485862632.db2.gz DDFAOXXVQLIAGS-MJGOQNOKSA-N 2 0 332.492 2.141 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000675624591 486031939 /nfs/dbraw/zinc/03/19/39/486031939.db2.gz WTMBCRFNTMGOIR-WMLDXEAASA-N 2 0 342.447 2.461 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000682916093 486584022 /nfs/dbraw/zinc/58/40/22/486584022.db2.gz GEJZKNXKFKYRSP-KBXCAEBGSA-N 2 0 333.451 2.247 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415964276 528286480 /nfs/dbraw/zinc/28/64/80/528286480.db2.gz XMNKGALGZMSYCV-AWEZNQCLSA-N 2 0 334.439 2.419 10 0 EEAERP COC(=O)CCN(Cc1ccc(F)c(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261903996 682145441 /nfs/dbraw/zinc/14/54/41/682145441.db2.gz WRQYVCOEKHSJIU-KRWDZBQOSA-N 2 0 326.387 2.330 10 0 EEAERP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000894597555 682990529 /nfs/dbraw/zinc/99/05/29/682990529.db2.gz MSWBSKDGJZJROB-PMPSAXMXSA-N 2 0 338.398 2.152 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC(C)=NO2)CC1 ZINC000895310256 684476928 /nfs/dbraw/zinc/47/69/28/684476928.db2.gz XZYFEWDHXREGDX-SFHVURJKSA-N 2 0 330.476 2.473 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)C1 ZINC000925594333 684592775 /nfs/dbraw/zinc/59/27/75/684592775.db2.gz FWQBQMNJZBXHCS-RYUDHWBXSA-N 2 0 325.403 2.190 10 0 EEAERP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000904093388 694296074 /nfs/dbraw/zinc/29/60/74/694296074.db2.gz VBFUTYACOWIHQX-CQSZACIVSA-N 2 0 330.432 2.390 10 0 EEAERP CCN(C(=O)[C@H]([NH2+]C(C)C)c1ccc(OC)cc1)[C@H]1CC[N@H+](C)C1 ZINC000898588203 693380229 /nfs/dbraw/zinc/38/02/29/693380229.db2.gz WYEGFAXHFPSOCE-FUHWJXTLSA-N 2 0 333.476 2.287 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000899224856 693670550 /nfs/dbraw/zinc/67/05/50/693670550.db2.gz XTBOJLIKBAZBGF-VQIMIIECSA-N 2 0 342.487 2.251 10 0 EEAERP Cc1ccc(F)cc1C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001485526630 1191826278 /nfs/dbraw/zinc/82/62/78/1191826278.db2.gz PYUJTDVBPIAAEC-HOCLYGCPSA-N 2 0 347.478 2.412 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001485527497 1191826643 /nfs/dbraw/zinc/82/66/43/1191826643.db2.gz ZJAGUBMJYCDQEU-KBPBESRZSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001485537434 1191827441 /nfs/dbraw/zinc/82/74/41/1191827441.db2.gz MRAPZGSTGDHRNM-HNNXBMFYSA-N 2 0 349.906 2.415 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001485532111 1191829749 /nfs/dbraw/zinc/82/97/49/1191829749.db2.gz CXJXMFMFVIHXSE-INIZCTEOSA-N 2 0 346.519 2.031 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC001485582965 1191849051 /nfs/dbraw/zinc/84/90/51/1191849051.db2.gz WXLYQDDOUJNBBU-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001485646884 1191878373 /nfs/dbraw/zinc/87/83/73/1191878373.db2.gz MIFDPXNYHPAUEA-DOTOQJQBSA-N 2 0 346.475 2.048 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485714724 1191906072 /nfs/dbraw/zinc/90/60/72/1191906072.db2.gz LVJXBJOPLBQPSD-UKRRQHHQSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)n1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001485722423 1191909884 /nfs/dbraw/zinc/90/98/84/1191909884.db2.gz JJLSYJNCFQYBNP-LZLYRXPVSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC001485744732 1191919837 /nfs/dbraw/zinc/91/98/37/1191919837.db2.gz NDUUBXKSPIYETQ-CJNGLKHVSA-N 2 0 336.480 2.008 10 0 EEAERP CCc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC001485732193 1191922314 /nfs/dbraw/zinc/92/23/14/1191922314.db2.gz DUMWKFWJQBZLJW-DZGCQCFKSA-N 2 0 338.521 2.174 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266441734 1176540194 /nfs/dbraw/zinc/54/01/94/1176540194.db2.gz LMRRTRBWPDSNNZ-WOJBJXKFSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1)[NH+](C)C ZINC001266546969 1176806322 /nfs/dbraw/zinc/80/63/22/1176806322.db2.gz BDFGABBWSPHSGQ-RBUKOAKNSA-N 2 0 331.504 2.396 10 0 EEAERP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]CCCOC(C)C)C2)ccc2c[nH+]cn21 ZINC001266603895 1176929591 /nfs/dbraw/zinc/92/95/91/1176929591.db2.gz INRRPRQZBDVVRG-WKILWMFISA-N 2 0 344.459 2.308 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659265 1177074218 /nfs/dbraw/zinc/07/42/18/1177074218.db2.gz CCGWNTZSPIMWKP-KRWDZBQOSA-N 2 0 337.895 2.415 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]C[C@@H]2CCO[C@H](C)C2)ccc2c[nH+]cn21 ZINC001266754478 1177354288 /nfs/dbraw/zinc/35/42/88/1177354288.db2.gz ROPRRTFVVCFXIJ-GDBMZVCRSA-N 2 0 344.459 2.119 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CCCc2ccccc2)CC1 ZINC001266911811 1177784690 /nfs/dbraw/zinc/78/46/90/1177784690.db2.gz WCLBXAZKMBIAGH-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1CC[NH2+]CCCF ZINC001691297863 1177851369 /nfs/dbraw/zinc/85/13/69/1177851369.db2.gz MMJVCKLKUODFGF-NVXWUHKLSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001691317604 1177899243 /nfs/dbraw/zinc/89/92/43/1177899243.db2.gz ZZNFPYNCMLHLOS-OAHLLOKOSA-N 2 0 338.883 2.156 10 0 EEAERP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267177031 1178425058 /nfs/dbraw/zinc/42/50/58/1178425058.db2.gz FHMRRBGYLLYPFS-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001691446471 1178832327 /nfs/dbraw/zinc/83/23/27/1178832327.db2.gz WZHBOLZYYOIAGL-UONOGXRCSA-N 2 0 337.430 2.355 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001267372760 1178882662 /nfs/dbraw/zinc/88/26/62/1178882662.db2.gz XBRDGDPSOFEWKC-QGZVFWFLSA-N 2 0 339.430 2.386 10 0 EEAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CCc2ccccc21 ZINC001480946989 1179089287 /nfs/dbraw/zinc/08/92/87/1179089287.db2.gz DUWVYLJGUGJFTA-SFHVURJKSA-N 2 0 329.488 2.250 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CCCC1CCOCC1 ZINC001480950839 1179110219 /nfs/dbraw/zinc/11/02/19/1179110219.db2.gz LUBDABFQOLDKBF-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1)[NH+]1CCCCCC1 ZINC001267522242 1179256632 /nfs/dbraw/zinc/25/66/32/1179256632.db2.gz AQVIEMGWWHGXSC-HKUYNNGSSA-N 2 0 347.503 2.080 10 0 EEAERP COCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267567843 1179382187 /nfs/dbraw/zinc/38/21/87/1179382187.db2.gz QONOWFPYQHSECW-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481111241 1179761878 /nfs/dbraw/zinc/76/18/78/1179761878.db2.gz BQIPNELYGMFEEQ-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001481124749 1179832101 /nfs/dbraw/zinc/83/21/01/1179832101.db2.gz UEYOXHLUHFKIGK-UONOGXRCSA-N 2 0 348.318 2.104 10 0 EEAERP Cc1ncc(CN(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001481188147 1180035884 /nfs/dbraw/zinc/03/58/84/1180035884.db2.gz VWUNLUPSKPPEIL-OAHLLOKOSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001267729608 1180317258 /nfs/dbraw/zinc/31/72/58/1180317258.db2.gz CBZNFCUBIBNIRA-IBGZPJMESA-N 2 0 333.520 2.465 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001481290014 1180888662 /nfs/dbraw/zinc/88/86/62/1180888662.db2.gz ACJYZAOBRJOARM-HUUCEWRRSA-N 2 0 329.435 2.097 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481302423 1180963209 /nfs/dbraw/zinc/96/32/09/1180963209.db2.gz LXBPCQQFASDTAK-RDJZCZTQSA-N 2 0 335.467 2.494 10 0 EEAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001481304439 1180972832 /nfs/dbraw/zinc/97/28/32/1180972832.db2.gz SZQNNSURJQIIEV-UHFFFAOYSA-N 2 0 329.488 2.454 10 0 EEAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001268070807 1181668561 /nfs/dbraw/zinc/66/85/61/1181668561.db2.gz JSGTZJNBZIXNJX-RDJZCZTQSA-N 2 0 330.476 2.382 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268078259 1181687101 /nfs/dbraw/zinc/68/71/01/1181687101.db2.gz CMTUDHWIEPMKCW-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP COCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268175410 1181953946 /nfs/dbraw/zinc/95/39/46/1181953946.db2.gz DUFSRWIJGGYJBK-IAGOWNOFSA-N 2 0 341.540 2.218 10 0 EEAERP CC(C)(C(=O)NCC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)[NH+]1CCCC1 ZINC001481638450 1182014599 /nfs/dbraw/zinc/01/45/99/1182014599.db2.gz MGXTVTRVVZJIBG-BPQIPLTHSA-N 2 0 333.520 2.345 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC(F)(F)CC1 ZINC001481683467 1182203697 /nfs/dbraw/zinc/20/36/97/1182203697.db2.gz USWNKUXGGSIHNV-HOTGVXAUSA-N 2 0 343.462 2.437 10 0 EEAERP C[C@H](CC[NH2+]CCC1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268393158 1182461815 /nfs/dbraw/zinc/46/18/15/1182461815.db2.gz JEVBLGSTWNGFBX-RYRKJORJSA-N 2 0 339.524 2.018 10 0 EEAERP CCc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268395608 1182466830 /nfs/dbraw/zinc/46/68/30/1182466830.db2.gz PSEVGBNVWWXUMA-DYVFJYSZSA-N 2 0 336.480 2.014 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425459 1182592497 /nfs/dbraw/zinc/59/24/97/1182592497.db2.gz GBBMYNLMLPNAHF-WMZOPIPTSA-N 2 0 332.492 2.249 10 0 EEAERP CCN(CC[NH2+]CCOc1c(C)cccc1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268438439 1182612156 /nfs/dbraw/zinc/61/21/56/1182612156.db2.gz GVYQTKXGSCENQH-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001481848525 1182783882 /nfs/dbraw/zinc/78/38/82/1182783882.db2.gz PACBMMMJRNGBLP-LPHOPBHVSA-N 2 0 331.504 2.228 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268482882 1182945632 /nfs/dbraw/zinc/94/56/32/1182945632.db2.gz ZRFSRHSFTQGPHU-OAHLLOKOSA-N 2 0 338.521 2.346 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268485506 1182959580 /nfs/dbraw/zinc/95/95/80/1182959580.db2.gz FGDUJTVFHYEQPX-ZWKOTPCHSA-N 2 0 330.476 2.037 10 0 EEAERP C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccccn1)NC(=O)CC[NH+](C)C ZINC001481962355 1183034836 /nfs/dbraw/zinc/03/48/36/1183034836.db2.gz QUVMSBJYVDGPTG-QFBILLFUSA-N 2 0 332.492 2.188 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001481982235 1183078324 /nfs/dbraw/zinc/07/83/24/1183078324.db2.gz IRSUAFIHNZIRNU-LFGHMXSPSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCCO2)ccc2c[nH+]cn21 ZINC001268560837 1183258842 /nfs/dbraw/zinc/25/88/42/1183258842.db2.gz ZXAQHSZNCXFUTM-IDOMTICXSA-N 2 0 342.443 2.087 10 0 EEAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001482064399 1183282031 /nfs/dbraw/zinc/28/20/31/1183282031.db2.gz LADWXDVPLMPBRB-QGZVFWFLSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001268576969 1183325729 /nfs/dbraw/zinc/32/57/29/1183325729.db2.gz XUEHSLLJVOPYJD-PGFQARHSSA-N 2 0 331.460 2.112 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001268587745 1183386073 /nfs/dbraw/zinc/38/60/73/1183386073.db2.gz KYDBREHNRFRPJL-FFPCURRISA-N 2 0 345.462 2.417 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268598494 1183501842 /nfs/dbraw/zinc/50/18/42/1183501842.db2.gz XLTREGISXGVTCR-DUMMIQTOSA-N 2 0 344.503 2.417 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001268624715 1183547717 /nfs/dbraw/zinc/54/77/17/1183547717.db2.gz FUCUPQOUORACEP-LPQSXRFUSA-N 2 0 331.435 2.171 10 0 EEAERP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268644856 1183573720 /nfs/dbraw/zinc/57/37/20/1183573720.db2.gz CQKMZAMETZUQHU-RDTXWAMCSA-N 2 0 349.906 2.319 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1coc(C2CC2)n1 ZINC001268791545 1183708601 /nfs/dbraw/zinc/70/86/01/1183708601.db2.gz OVWKVPYLWHIKGF-KRWDZBQOSA-N 2 0 348.491 2.363 10 0 EEAERP C[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1)[NH+]1CCCCCC1 ZINC001268869018 1183777134 /nfs/dbraw/zinc/77/71/34/1183777134.db2.gz OVIRLZOJYWIXNL-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001268902553 1183800223 /nfs/dbraw/zinc/80/02/23/1183800223.db2.gz MUMKPGTZXYEUIW-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)CCO1)[NH+](CC)CC ZINC001482201063 1183907706 /nfs/dbraw/zinc/90/77/06/1183907706.db2.gz YMUQCBJKVOVDKF-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCC1CCCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001269071066 1183938573 /nfs/dbraw/zinc/93/85/73/1183938573.db2.gz BCPPXERTDDXJQL-MOPGFXCFSA-N 2 0 333.520 2.393 10 0 EEAERP Cc1cccc(CCC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001269535213 1184361178 /nfs/dbraw/zinc/36/11/78/1184361178.db2.gz CIHIRIDSVKVMNW-UHFFFAOYSA-N 2 0 329.488 2.262 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001269798776 1184627695 /nfs/dbraw/zinc/62/76/95/1184627695.db2.gz OBMFCMDMTOSFRC-IRXDYDNUSA-N 2 0 349.544 2.461 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCOC1CCCCCC1 ZINC001270372407 1185056284 /nfs/dbraw/zinc/05/62/84/1185056284.db2.gz SYRJDFVDADCDLJ-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]C/C=C/c1ccccc1 ZINC001270516614 1185141523 /nfs/dbraw/zinc/14/15/23/1185141523.db2.gz FYTAEKNACBNWCP-WMHOYKDJSA-N 2 0 329.488 2.384 10 0 EEAERP C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317113 1185323675 /nfs/dbraw/zinc/32/36/75/1185323675.db2.gz OMXCWDYFWPZVIH-FUHWJXTLSA-N 2 0 347.503 2.031 10 0 EEAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508377 1185362075 /nfs/dbraw/zinc/36/20/75/1185362075.db2.gz MCFXVLBZAFXDME-AEFFLSMTSA-N 2 0 333.451 2.391 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001482354885 1185493637 /nfs/dbraw/zinc/49/36/37/1185493637.db2.gz VCZBURRKUFKSSE-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270921286 1185742117 /nfs/dbraw/zinc/74/21/17/1185742117.db2.gz HUYVBLKEHBYEIH-RHSMWYFYSA-N 2 0 337.895 2.413 10 0 EEAERP CC(C)C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271261985 1186111842 /nfs/dbraw/zinc/11/18/42/1186111842.db2.gz WQDBOOLGJJFRHX-CABCVRRESA-N 2 0 349.441 2.401 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001271566432 1186317410 /nfs/dbraw/zinc/31/74/10/1186317410.db2.gz OVPOOTUUCWUHPA-GDBMZVCRSA-N 2 0 336.505 2.098 10 0 EEAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C[NH2+]CCF ZINC001482501780 1186418760 /nfs/dbraw/zinc/41/87/60/1186418760.db2.gz UAFCTOGLBNRKLF-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C[NH2+]C/C=C/Cl ZINC001271751715 1186460523 /nfs/dbraw/zinc/46/05/23/1186460523.db2.gz NTFBWDZGRUMMSI-SBRLYDIBSA-N 2 0 325.884 2.051 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(CC)CCO1 ZINC001272042154 1187227891 /nfs/dbraw/zinc/22/78/91/1187227891.db2.gz AYQTVQAKRJDMBC-CMZLPQLFSA-N 2 0 349.519 2.129 10 0 EEAERP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482598532 1187323385 /nfs/dbraw/zinc/32/33/85/1187323385.db2.gz IPSKWXYUCZLKFN-PMACEKPBSA-N 2 0 341.499 2.406 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482870794 1187790590 /nfs/dbraw/zinc/79/05/90/1187790590.db2.gz GWKBONKZYJQVNX-HZPDHXFCSA-N 2 0 342.487 2.494 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482871542 1187791306 /nfs/dbraw/zinc/79/13/06/1187791306.db2.gz PEIKJPJQQJPDEO-KBPBESRZSA-N 2 0 339.430 2.291 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001482932138 1187841616 /nfs/dbraw/zinc/84/16/16/1187841616.db2.gz UVTHPSKACZROQX-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001279150862 1187907662 /nfs/dbraw/zinc/90/76/62/1187907662.db2.gz YKRBSWHHDNZIQZ-PKOBYXMFSA-N 2 0 331.504 2.173 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC001483007473 1187989642 /nfs/dbraw/zinc/98/96/42/1187989642.db2.gz ACGQTTKTPHJDLN-FBQMEGEOSA-N 2 0 341.499 2.223 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001483015575 1188002192 /nfs/dbraw/zinc/00/21/92/1188002192.db2.gz MXQGSWNXYDMSGH-ABCZVMIZSA-N 2 0 329.435 2.168 10 0 EEAERP C[NH+](C)C1(C(=O)NC/C=C\CNCc2nc3ccccc3o2)CCC1 ZINC001483016068 1188003039 /nfs/dbraw/zinc/00/30/39/1188003039.db2.gz AHOHECVMAFPOAZ-WAYWQWQTSA-N 2 0 342.443 2.074 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1Cl ZINC001483045486 1188250215 /nfs/dbraw/zinc/25/02/15/1188250215.db2.gz XLOPXVLMLLUCKW-WOMSROEHSA-N 2 0 339.842 2.335 10 0 EEAERP CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001691558219 1188260599 /nfs/dbraw/zinc/26/05/99/1188260599.db2.gz FKEOHSIAOIVTJK-UHFFFAOYSA-N 2 0 349.906 2.416 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001483053250 1188297152 /nfs/dbraw/zinc/29/71/52/1188297152.db2.gz CYCGPMBJNMAKNY-YPQKKHBXSA-N 2 0 343.462 2.416 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC001671045534 1193553250 /nfs/dbraw/zinc/55/32/50/1193553250.db2.gz XIUOSZQMCGKSRM-GOSISDBHSA-N 2 0 327.488 2.392 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001272822726 1193562013 /nfs/dbraw/zinc/56/20/13/1193562013.db2.gz HUYLOJCHSVLETI-DZGCQCFKSA-N 2 0 331.451 2.391 10 0 EEAERP O=C(NC/C=C/C[NH2+]C/C=C\c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483083717 1188444758 /nfs/dbraw/zinc/44/47/58/1188444758.db2.gz OTCSEYKVNGUWMZ-WEHQGULRSA-N 2 0 325.456 2.058 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483096839 1188470926 /nfs/dbraw/zinc/47/09/26/1188470926.db2.gz FKHQOZSGISZZJM-RYIQXIGLSA-N 2 0 330.476 2.025 10 0 EEAERP CCc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001485855647 1193617539 /nfs/dbraw/zinc/61/75/39/1193617539.db2.gz MFHSDMYPCYECJX-LPHOPBHVSA-N 2 0 331.504 2.322 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC001485914586 1193638420 /nfs/dbraw/zinc/63/84/20/1193638420.db2.gz MHXNIEFFIZRAAJ-RYRKJORJSA-N 2 0 346.519 2.365 10 0 EEAERP COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001409620280 1190111331 /nfs/dbraw/zinc/11/13/31/1190111331.db2.gz WFZMGPMCEGUNGB-BQFCYCMXSA-N 2 0 347.503 2.362 10 0 EEAERP Cc1oc(-c2ccccc2)nc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001483262984 1190287906 /nfs/dbraw/zinc/28/79/06/1190287906.db2.gz BCRDAANCWPCVPI-AWEZNQCLSA-N 2 0 344.459 2.196 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483282756 1190305831 /nfs/dbraw/zinc/30/58/31/1190305831.db2.gz AQRBETJFGCTWOM-RDJZCZTQSA-N 2 0 340.471 2.171 10 0 EEAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483475459 1190496590 /nfs/dbraw/zinc/49/65/90/1190496590.db2.gz UJSCTSDVCXOOHC-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483502090 1190517277 /nfs/dbraw/zinc/51/72/77/1190517277.db2.gz BGPOEVRVJMWONN-OAHLLOKOSA-N 2 0 336.480 2.078 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001483510433 1190522053 /nfs/dbraw/zinc/52/20/53/1190522053.db2.gz JYNWUNNXOQVXMO-MSOLQXFVSA-N 2 0 347.503 2.154 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC001483512438 1190525509 /nfs/dbraw/zinc/52/55/09/1190525509.db2.gz ZRMNSLMVKQDQDQ-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP Cc1ccncc1C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001409821260 1190653400 /nfs/dbraw/zinc/65/34/00/1190653400.db2.gz BVGCAXMHMNVTGH-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cncs2)[C@H](CC)C1 ZINC001483626957 1190691651 /nfs/dbraw/zinc/69/16/51/1190691651.db2.gz TZEVLIMSHHQJEW-ZBFHGGJFSA-N 2 0 338.521 2.202 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCc3ccccc32)CCC1 ZINC001483655307 1190712100 /nfs/dbraw/zinc/71/21/00/1190712100.db2.gz MTLKHNINDFSIEF-WMZOPIPTSA-N 2 0 327.472 2.349 10 0 EEAERP CC[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001493682684 1190739818 /nfs/dbraw/zinc/73/98/18/1190739818.db2.gz YNFOZNRSUKYGFJ-MRXNPFEDSA-N 2 0 327.419 2.416 10 0 EEAERP CC(C)COCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001691636914 1190744691 /nfs/dbraw/zinc/74/46/91/1190744691.db2.gz PEVJOJYTZZWSBF-GOSISDBHSA-N 2 0 341.540 2.360 10 0 EEAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cncc(C)c1)CC2)[NH+](C)C ZINC001486147850 1193698593 /nfs/dbraw/zinc/69/85/93/1193698593.db2.gz QXDHHCBTGZJTKG-NSHGMRRFSA-N 2 0 344.503 2.343 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCc3ccccc3)CC2)CC[N@@H+]1C ZINC001483735105 1190850653 /nfs/dbraw/zinc/85/06/53/1190850653.db2.gz NSLCVWJHACQLEV-ZWKOTPCHSA-N 2 0 329.488 2.198 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](C[C@H](F)CC)C2)C1 ZINC001483847996 1191083181 /nfs/dbraw/zinc/08/31/81/1191083181.db2.gz QFLRFCQIPUQNIW-SJLPKXTDSA-N 2 0 327.488 2.391 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCCCCF)C3)C2)C1 ZINC001483849070 1191084903 /nfs/dbraw/zinc/08/49/03/1191084903.db2.gz XWWPZOHLCYHJQT-FUHWJXTLSA-N 2 0 325.472 2.002 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCCCOC)CC2 ZINC001483836943 1191087764 /nfs/dbraw/zinc/08/77/64/1191087764.db2.gz QYRMGKVVIAZOJC-UHFFFAOYSA-N 2 0 339.524 2.069 10 0 EEAERP CC(C)OCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001483967418 1191135396 /nfs/dbraw/zinc/13/53/96/1191135396.db2.gz MDALLWZMWVNODZ-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001483997357 1191145459 /nfs/dbraw/zinc/14/54/59/1191145459.db2.gz WWOQPINIUPYLEJ-OALUTQOASA-N 2 0 344.503 2.249 10 0 EEAERP C[C@H]([NH2+]Cc1cccc(Cl)n1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484349164 1191313723 /nfs/dbraw/zinc/31/37/23/1191313723.db2.gz YZLURRAOEATPCN-KBPBESRZSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001484354504 1191316017 /nfs/dbraw/zinc/31/60/17/1191316017.db2.gz ZEKLJBDGSKJOIU-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001484368697 1191320816 /nfs/dbraw/zinc/32/08/16/1191320816.db2.gz HLNRQAHASWQMFF-OLZOCXBDSA-N 2 0 348.318 2.474 10 0 EEAERP CCOCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484395442 1191329816 /nfs/dbraw/zinc/32/98/16/1191329816.db2.gz XISZANWIXOTQEA-BZSNNMDCSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484536623 1191404168 /nfs/dbraw/zinc/40/41/68/1191404168.db2.gz SLLXZSXTALKWKA-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)co1 ZINC001484541026 1191406517 /nfs/dbraw/zinc/40/65/17/1191406517.db2.gz GIUFSJMOHJKJCF-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP COCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001484554468 1191412818 /nfs/dbraw/zinc/41/28/18/1191412818.db2.gz WSGDAUMZFUZRJW-IBGZPJMESA-N 2 0 347.503 2.255 10 0 EEAERP CC(C)(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484689041 1191471646 /nfs/dbraw/zinc/47/16/46/1191471646.db2.gz QUKJZMKHWXSFNJ-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484728579 1191487327 /nfs/dbraw/zinc/48/73/27/1191487327.db2.gz RVKQQONMSMFXRD-INIZCTEOSA-N 2 0 336.480 2.102 10 0 EEAERP CN(CCC[N@H+](C)CCCF)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001484759280 1191511864 /nfs/dbraw/zinc/51/18/64/1191511864.db2.gz XJIRAEYNDAQSQT-QGZVFWFLSA-N 2 0 333.467 2.339 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)Cc1ccccn1 ZINC001484769487 1191512447 /nfs/dbraw/zinc/51/24/47/1191512447.db2.gz WDLSXBAHNJLJTA-IRXDYDNUSA-N 2 0 332.492 2.235 10 0 EEAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001484812032 1191533211 /nfs/dbraw/zinc/53/32/11/1191533211.db2.gz INGFEUOFYQRLSW-SFHVURJKSA-N 2 0 333.520 2.489 10 0 EEAERP CCOCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001484922261 1191576313 /nfs/dbraw/zinc/57/63/13/1191576313.db2.gz MLZZBEXDYOWYAX-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001484935945 1191579806 /nfs/dbraw/zinc/57/98/06/1191579806.db2.gz CTLQXMAMCYCHJP-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001484983086 1191601372 /nfs/dbraw/zinc/60/13/72/1191601372.db2.gz VAUDQZNUMHHJMC-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167145 1191676929 /nfs/dbraw/zinc/67/69/29/1191676929.db2.gz UNVXETFEMUPNLT-STQMWFEESA-N 2 0 336.505 2.063 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001485224424 1191696617 /nfs/dbraw/zinc/69/66/17/1191696617.db2.gz IOAVDXFJGTXRPN-HZPDHXFCSA-N 2 0 347.507 2.034 10 0 EEAERP CN(CC(C)(C)C[NH2+]Cc1ccc(F)cc1)C(=O)C[NH+]1CCCC1 ZINC001485265180 1191710798 /nfs/dbraw/zinc/71/07/98/1191710798.db2.gz RNWIPYPTNRULAB-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001485373824 1191763220 /nfs/dbraw/zinc/76/32/20/1191763220.db2.gz XQOGWVGMGNWZOW-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001486246570 1193773170 /nfs/dbraw/zinc/77/31/70/1193773170.db2.gz NFIFCCMCYABUFR-GOSISDBHSA-N 2 0 347.503 2.234 10 0 EEAERP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1)c1ccccc1 ZINC001486247683 1193773680 /nfs/dbraw/zinc/77/36/80/1193773680.db2.gz JUWMEXZYHADOEL-IAGOWNOFSA-N 2 0 335.467 2.476 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001486249376 1193776465 /nfs/dbraw/zinc/77/64/65/1193776465.db2.gz GTBVGZVNANQYJL-QGZVFWFLSA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)N(CC[N@H+](C)CCOC1CCC1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001486369815 1193870988 /nfs/dbraw/zinc/87/09/88/1193870988.db2.gz NSYHAHIACKNADI-SJLPKXTDSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)OCC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001486446226 1193961266 /nfs/dbraw/zinc/96/12/66/1193961266.db2.gz CLDJOOSDJHMDCA-INIZCTEOSA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001486488733 1194000574 /nfs/dbraw/zinc/00/05/74/1194000574.db2.gz MJKOTDYRAKOQNB-QGZVFWFLSA-N 2 0 339.499 2.437 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001272993603 1194301763 /nfs/dbraw/zinc/30/17/63/1194301763.db2.gz PDCLDIVWJAVTCS-CYBMUJFWSA-N 2 0 335.414 2.251 10 0 EEAERP C[C@@]12CN(C(=O)CC[NH2+]C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702072013 1195714197 /nfs/dbraw/zinc/71/41/97/1195714197.db2.gz VJWURDBCXFMCBX-FXAWDEMLSA-N 2 0 327.472 2.109 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001410430911 1197876806 /nfs/dbraw/zinc/87/68/06/1197876806.db2.gz DZCIUWZGQXBYJU-HOCLYGCPSA-N 2 0 335.467 2.412 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncs1 ZINC001410444408 1197923420 /nfs/dbraw/zinc/92/34/20/1197923420.db2.gz BQOMTHNUVFDOEQ-ZBFHGGJFSA-N 2 0 338.521 2.343 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H]1CCc2ccccc21 ZINC001410457188 1197934974 /nfs/dbraw/zinc/93/49/74/1197934974.db2.gz SSMLXJGHIQTZKY-YJBOKZPZSA-N 2 0 329.488 2.452 10 0 EEAERP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000872155007 1198061765 /nfs/dbraw/zinc/06/17/65/1198061765.db2.gz JMAKGMJGGYIRBY-DZGCQCFKSA-N 2 0 332.444 2.144 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001410522397 1198079876 /nfs/dbraw/zinc/07/98/76/1198079876.db2.gz VVTRIPGOBWBSBE-GFCCVEGCSA-N 2 0 326.510 2.037 10 0 EEAERP CCC[C@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872255937 1198113445 /nfs/dbraw/zinc/11/34/45/1198113445.db2.gz OVCMYMBFGPJNCJ-MKXGPGLRSA-N 2 0 343.471 2.437 10 0 EEAERP C[C@H]1CCCC[C@H]1NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865245200 1198138545 /nfs/dbraw/zinc/13/85/45/1198138545.db2.gz HNQGQRSIPSLZFP-YLFCFFPRSA-N 2 0 340.581 2.111 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2cnc(-c3ccccc3)cn2)C[C@H]1C[NH+](C)C ZINC000866010785 1198453410 /nfs/dbraw/zinc/45/34/10/1198453410.db2.gz NDCCMQMEMWPQTJ-QZTJIDSGSA-N 2 0 339.487 2.319 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001410891164 1198545318 /nfs/dbraw/zinc/54/53/18/1198545318.db2.gz SCIXTTUMCAQJHI-LZLYRXPVSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001410953729 1198621536 /nfs/dbraw/zinc/62/15/36/1198621536.db2.gz KOINUUHPJDFNPJ-IAGOWNOFSA-N 2 0 349.523 2.179 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)cn1 ZINC001410970112 1198648044 /nfs/dbraw/zinc/64/80/44/1198648044.db2.gz CUDQZOSYTHJLFC-DOTOQJQBSA-N 2 0 347.507 2.014 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001410981308 1198657801 /nfs/dbraw/zinc/65/78/01/1198657801.db2.gz NWSUUUXOUSJDER-HUUCEWRRSA-N 2 0 325.472 2.190 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2F)C(C)(C)C1 ZINC001411115798 1198811015 /nfs/dbraw/zinc/81/10/15/1198811015.db2.gz PZWRXCRWBAVCGL-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C)c(C)n1 ZINC001411198549 1198896686 /nfs/dbraw/zinc/89/66/86/1198896686.db2.gz POACQQWPVSQNAK-UHFFFAOYSA-N 2 0 334.508 2.319 10 0 EEAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001411251619 1198974393 /nfs/dbraw/zinc/97/43/93/1198974393.db2.gz COULCSHESDEAOY-CTWPCTMYSA-N 2 0 344.503 2.281 10 0 EEAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280627269 1199025418 /nfs/dbraw/zinc/02/54/18/1199025418.db2.gz DQEVIQUHACZMKL-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC/C=C\c2ccccc2)C[C@H]1C[NH+](C)C ZINC000875277711 1199195673 /nfs/dbraw/zinc/19/56/73/1199195673.db2.gz KPIZFADMNCCDDC-PMBGHPPTSA-N 2 0 344.503 2.081 10 0 EEAERP Cc1cccc(Cl)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017212 1200409498 /nfs/dbraw/zinc/40/94/98/1200409498.db2.gz JDEAAFRIDRLBSN-HUUCEWRRSA-N 2 0 337.895 2.460 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870021906 1200412095 /nfs/dbraw/zinc/41/20/95/1200412095.db2.gz VAQMAHHJYJSACE-RTBURBONSA-N 2 0 345.531 2.453 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870023903 1200413379 /nfs/dbraw/zinc/41/33/79/1200413379.db2.gz NQFTWUWXFRFHHY-RTBURBONSA-N 2 0 331.504 2.207 10 0 EEAERP COc1ccc([C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH+]2CCCC2)cc1 ZINC000870853398 1200912473 /nfs/dbraw/zinc/91/24/73/1200912473.db2.gz AYFOZWCGDQFFLX-JMVFIXPQSA-N 2 0 343.471 2.076 10 0 EEAERP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411494 1201510554 /nfs/dbraw/zinc/51/05/54/1201510554.db2.gz NOEUBOUMIIQUHK-HOTGVXAUSA-N 2 0 333.476 2.147 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000866712299 1201586884 /nfs/dbraw/zinc/58/68/84/1201586884.db2.gz SNCBKXWNINCXSC-AHBIMHKDSA-N 2 0 347.846 2.194 10 0 EEAERP CN1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000868757799 1201872675 /nfs/dbraw/zinc/87/26/75/1201872675.db2.gz DPQWDNUGEWXPMN-DOTOQJQBSA-N 2 0 330.476 2.345 10 0 EEAERP CC(C)CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001273979771 1202184473 /nfs/dbraw/zinc/18/44/73/1202184473.db2.gz MUNATJZKPPNDQN-QGZVFWFLSA-N 2 0 339.524 2.162 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1 ZINC001274132844 1204394672 /nfs/dbraw/zinc/39/46/72/1204394672.db2.gz DZYPVHFDKUERCC-LIMHQNJXSA-N 2 0 337.414 2.211 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001274367664 1205011422 /nfs/dbraw/zinc/01/14/22/1205011422.db2.gz DNMSINXQGUASBT-INQOVCNISA-N 2 0 343.462 2.416 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001276007623 1205631699 /nfs/dbraw/zinc/63/16/99/1205631699.db2.gz XCYAMRHZXNCAMI-CXAGYDPISA-N 2 0 339.430 2.243 10 0 EEAERP C[C@@H]1[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000925337748 1206099714 /nfs/dbraw/zinc/09/97/14/1206099714.db2.gz RGBPTPWRPLGJKS-SJLPKXTDSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925521871 1206122524 /nfs/dbraw/zinc/12/25/24/1206122524.db2.gz KQKJCGSLWXMLQK-QRQLOZEOSA-N 2 0 328.504 2.057 10 0 EEAERP c1ccc(N2CC[NH+](CCCN[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925538186 1206124904 /nfs/dbraw/zinc/12/49/04/1206124904.db2.gz PHFYGEMYNMHZMA-LJQANCHMSA-N 2 0 328.504 2.073 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)C12CCC2 ZINC000925708286 1206145232 /nfs/dbraw/zinc/14/52/32/1206145232.db2.gz RVWGNGRBOHOAGB-OALUTQOASA-N 2 0 340.515 2.201 10 0 EEAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777049 1206153192 /nfs/dbraw/zinc/15/31/92/1206153192.db2.gz BYPLCZHNHIJVRI-STQMWFEESA-N 2 0 341.402 2.247 10 0 EEAERP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925800874 1206154827 /nfs/dbraw/zinc/15/48/27/1206154827.db2.gz ZUIQFHMVPJHKSH-GGPKGHCWSA-N 2 0 331.504 2.204 10 0 EEAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925800512 1206155024 /nfs/dbraw/zinc/15/50/24/1206155024.db2.gz SGFMLCAJTQREAK-NHHFINERSA-N 2 0 342.549 2.490 10 0 EEAERP C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806768 1206155805 /nfs/dbraw/zinc/15/58/05/1206155805.db2.gz AKOGMBIWOOABQJ-QGZVFWFLSA-N 2 0 331.504 2.387 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000925817689 1206157251 /nfs/dbraw/zinc/15/72/51/1206157251.db2.gz VOFWDFZQEJZTIG-HNNXBMFYSA-N 2 0 346.475 2.107 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC12CC[NH2+]CC2 ZINC000925854600 1206161300 /nfs/dbraw/zinc/16/13/00/1206161300.db2.gz RZBLIRAQNQVGMK-XHDPSFHLSA-N 2 0 336.382 2.227 10 0 EEAERP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000926124638 1206195503 /nfs/dbraw/zinc/19/55/03/1206195503.db2.gz IANRARWDUDAACW-GPMSIDNRSA-N 2 0 332.488 2.404 10 0 EEAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000926592321 1206230053 /nfs/dbraw/zinc/23/00/53/1206230053.db2.gz YCNYSPAHOOSZAP-DZFIZOCASA-N 2 0 332.488 2.274 10 0 EEAERP CN(C)c1cc[nH+]c(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000927699979 1206292496 /nfs/dbraw/zinc/29/24/96/1206292496.db2.gz NDRVNNQPSMFZFR-UHFFFAOYSA-N 2 0 338.455 2.212 10 0 EEAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCO[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000931747875 1207455368 /nfs/dbraw/zinc/45/53/68/1207455368.db2.gz XZRGEINYPFMVNR-ZCNNSNEGSA-N 2 0 330.472 2.246 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001276323598 1215709428 /nfs/dbraw/zinc/70/94/28/1215709428.db2.gz BURDLSNEUHKGHW-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP c1cc(N2CCC[N@@H+](C[C@@H]3CCC[C@]4(CCOC4)O3)CC2)cc[nH+]1 ZINC001413012637 1216508876 /nfs/dbraw/zinc/50/88/76/1216508876.db2.gz RMPPMTUJHJBAPB-RBUKOAKNSA-N 2 0 331.460 2.322 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001413478117 1238778554 /nfs/dbraw/zinc/77/85/54/1238778554.db2.gz RZRWELRONLVCLI-SJLPKXTDSA-N 2 0 330.476 2.239 10 0 EEAERP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000903064119 1239648228 /nfs/dbraw/zinc/64/82/28/1239648228.db2.gz MFIHGXGRAISJAD-JVPBZIDWSA-N 2 0 345.487 2.248 10 0 EEAERP Cc1ccc(F)c(CN2CCC(c3nnc4n3CCNC4)CC2)c1F ZINC000903453905 1240513613 /nfs/dbraw/zinc/51/36/13/1240513613.db2.gz OXSRCOZTUCFDDF-UHFFFAOYSA-N 2 0 347.413 2.348 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(F)cccc1Cl)C2 ZINC000903491113 1240648293 /nfs/dbraw/zinc/64/82/93/1240648293.db2.gz VQUNCCWLNYUWTJ-USBNGQNGSA-N 2 0 326.799 2.191 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1csc(-c3ccoc3)n1)C2 ZINC000903492921 1240658546 /nfs/dbraw/zinc/65/85/46/1240658546.db2.gz LMYLNUZDPFAQCI-AHIWAGSCSA-N 2 0 347.440 2.115 10 0 EEAERP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496763 1240675831 /nfs/dbraw/zinc/67/58/31/1240675831.db2.gz BXIWXYNOVFPQJY-RBSFLKMASA-N 2 0 326.444 2.479 10 0 EEAERP c1ccc2c(c1)[C@H](C[C@@H]1COCC[NH2+]1)CN2C[C@H]1CCCC[NH2+]C1 ZINC000903788279 1241965869 /nfs/dbraw/zinc/96/58/69/1241965869.db2.gz HLVGYOHLVJTSCT-RCCFBDPRSA-N 2 0 329.488 2.358 10 0 EEAERP Cc1c(C[C@H](C[NH3+])CNC[C@H]([NH3+])c2ccc(C(C)C)cc2)cnn1C ZINC000903916224 1242468672 /nfs/dbraw/zinc/46/86/72/1242468672.db2.gz FWNSIHCTEWZEAE-UZLBHIALSA-N 2 0 343.519 2.259 10 0 EEAERP CCOc1cc(C[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)ccc1OC ZINC000903921917 1242511856 /nfs/dbraw/zinc/51/18/56/1242511856.db2.gz SNFRYOUVRVZVLU-MRXNPFEDSA-N 2 0 346.475 2.043 10 0 EEAERP COC(=O)COc1c(C)cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903973870 1242809376 /nfs/dbraw/zinc/80/93/76/1242809376.db2.gz HKOXMTHVFVFLNL-NVXWUHKLSA-N 2 0 334.460 2.190 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc3cc(OC)ccc3o1)C2 ZINC000903977489 1242825906 /nfs/dbraw/zinc/82/59/06/1242825906.db2.gz QHWKUADHOOFJMT-KSMMKXTCSA-N 2 0 344.411 2.154 10 0 EEAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491034093 1258591999 /nfs/dbraw/zinc/59/19/99/1258591999.db2.gz GIZDLRKDHNPKPU-SSGMOAHOSA-N 2 0 339.443 2.474 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]C[C@@H](C)OC)CC1 ZINC001267909476 1276902869 /nfs/dbraw/zinc/90/28/69/1276902869.db2.gz QDSZBFVKDQLWTG-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OC(=O)N1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000850135337 1277059942 /nfs/dbraw/zinc/05/99/42/1277059942.db2.gz PMNAVFGLIJDYHS-UHFFFAOYSA-N 2 0 343.431 2.366 10 0 EEAERP COc1cncc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000850159550 1277067562 /nfs/dbraw/zinc/06/75/62/1277067562.db2.gz HZSKYUJGVSMEQL-UHFFFAOYSA-N 2 0 332.492 2.130 10 0 EEAERP CCNC(=O)COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484939 1280970087 /nfs/dbraw/zinc/97/00/87/1280970087.db2.gz KTAKAGYTIQMOSG-CVEARBPZSA-N 2 0 333.476 2.197 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273753875 1284844649 /nfs/dbraw/zinc/84/46/49/1284844649.db2.gz ZXJDOZCMABAWLI-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP CC(C)[NH+]1CCC(CCCCCNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001273807762 1286203516 /nfs/dbraw/zinc/20/35/16/1286203516.db2.gz RBCMZAQBUHGHST-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001273910344 1289776586 /nfs/dbraw/zinc/77/65/86/1289776586.db2.gz PGIWGBKEZGMVLL-PXPVJAHISA-N 2 0 345.487 2.330 10 0 EEAERP COCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001489292162 1290493260 /nfs/dbraw/zinc/49/32/60/1290493260.db2.gz YKYGGWMIYPPXNF-APWZRJJASA-N 2 0 347.503 2.020 10 0 EEAERP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001489336569 1290519726 /nfs/dbraw/zinc/51/97/26/1290519726.db2.gz BFJGTXWSMHONLQ-UHFFFAOYSA-N 2 0 348.516 2.013 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925486241 1290541448 /nfs/dbraw/zinc/54/14/48/1290541448.db2.gz QGEMKRBWQKRQAP-SJORKVTESA-N 2 0 338.517 2.487 10 0 EEAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC[C@@H]1CCCCO1 ZINC001490343739 1291160055 /nfs/dbraw/zinc/16/00/55/1291160055.db2.gz ZWMDDRFKDWSQLJ-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCc1ccccc1F ZINC001490317566 1291204049 /nfs/dbraw/zinc/20/40/49/1291204049.db2.gz GZZDHQMXTJGYDY-SFHVURJKSA-N 2 0 335.467 2.291 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001495377399 1291359567 /nfs/dbraw/zinc/35/95/67/1291359567.db2.gz DOWABNWOVMFSOW-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]([NH2+]Cc1cncc(F)c1)C1CC1 ZINC001490675593 1291559449 /nfs/dbraw/zinc/55/94/49/1291559449.db2.gz YBPYIOMBHOGZRZ-QZTJIDSGSA-N 2 0 348.466 2.080 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]Cc2ccc(F)cc2)C2CC2)C1 ZINC001490727953 1291612938 /nfs/dbraw/zinc/61/29/38/1291612938.db2.gz HICYHYVNOGFTIW-MAUKXSAKSA-N 2 0 333.451 2.152 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000852022183 1291959152 /nfs/dbraw/zinc/95/91/52/1291959152.db2.gz IZHBMZRCUZBMKS-UHFFFAOYSA-N 2 0 336.524 2.234 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000854233176 1292681450 /nfs/dbraw/zinc/68/14/50/1292681450.db2.gz ZRMRUNZGJLFOSM-ZDUSSCGKSA-N 2 0 338.883 2.376 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)c3)C2)ccn1 ZINC000856559541 1293567502 /nfs/dbraw/zinc/56/75/02/1293567502.db2.gz AZJBYJAKPOMEQJ-LJQANCHMSA-N 2 0 343.475 2.309 10 0 EEAERP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605014 1293579494 /nfs/dbraw/zinc/57/94/94/1293579494.db2.gz VIXZGFURJLAONL-MOPGFXCFSA-N 2 0 335.492 2.392 10 0 EEAERP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C=CCC1 ZINC000931254669 1297125467 /nfs/dbraw/zinc/12/54/67/1297125467.db2.gz NTQMYYWPHQYRTD-IBGZPJMESA-N 2 0 328.460 2.066 10 0 EEAERP Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277186742 1301722407 /nfs/dbraw/zinc/72/24/07/1301722407.db2.gz MBXDSEOXOBRKDN-VQIMIIECSA-N 2 0 344.503 2.106 10 0 EEAERP CCCCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001277398024 1302851244 /nfs/dbraw/zinc/85/12/44/1302851244.db2.gz ATSCUJOMKCFYRJ-SFHVURJKSA-N 2 0 339.524 2.210 10 0 EEAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277693595 1304197366 /nfs/dbraw/zinc/19/73/66/1304197366.db2.gz LYNZTLQAHMDGRT-YJBOKZPZSA-N 2 0 327.488 2.436 10 0 EEAERP CN(CCC[N@H+](C)Cc1ccnc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001280883042 1305606078 /nfs/dbraw/zinc/60/60/78/1305606078.db2.gz DEAWHDSGMYAIAS-UHFFFAOYSA-N 2 0 338.883 2.111 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278315730 1309358811 /nfs/dbraw/zinc/35/88/11/1309358811.db2.gz MMNYEVMLIDZRPV-DLBZAZTESA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CN1C(=O)CCCC[NH+](C)C ZINC001278416462 1310167731 /nfs/dbraw/zinc/16/77/31/1310167731.db2.gz NFXGXTXSDFNBGB-PBHICJAKSA-N 2 0 336.455 2.032 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOc2ccccc2C)C[C@@H]1C ZINC001278416620 1310168834 /nfs/dbraw/zinc/16/88/34/1310168834.db2.gz ORJNFDYFZDCLDZ-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001278424758 1310206363 /nfs/dbraw/zinc/20/63/63/1310206363.db2.gz VSVCOHHZVAQQTF-ROUUACIJSA-N 2 0 347.503 2.293 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001278466012 1310429868 /nfs/dbraw/zinc/42/98/68/1310429868.db2.gz FEACQMNOARURCJ-YLJYHZDGSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc(Cl)n1 ZINC000843489557 1315922968 /nfs/dbraw/zinc/92/29/68/1315922968.db2.gz HOUAVLSWKPIOHC-GJZGRUSLSA-N 2 0 338.883 2.232 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC001261502803 1322116453 /nfs/dbraw/zinc/11/64/53/1322116453.db2.gz YWLONNLDRIRDON-ROUUACIJSA-N 2 0 330.476 2.285 10 0 EEAERP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001264000489 1322581676 /nfs/dbraw/zinc/58/16/76/1322581676.db2.gz RUTQDQQIWIDJEQ-JGNQBTRVSA-N 2 0 327.900 2.297 10 0 EEAERP CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001264106360 1322623008 /nfs/dbraw/zinc/62/30/08/1322623008.db2.gz YTHUYIDHBRBPOB-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001264127894 1322636343 /nfs/dbraw/zinc/63/63/43/1322636343.db2.gz NNDCMAHTOMLOBW-GOSISDBHSA-N 2 0 339.524 2.260 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264683398 1322782498 /nfs/dbraw/zinc/78/24/98/1322782498.db2.gz CKJRAZSYKOHHOZ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)C[C@H]2CCCOC2)c1 ZINC001265073144 1322907330 /nfs/dbraw/zinc/90/73/30/1322907330.db2.gz RPZGFVSYNVBYNS-GOSISDBHSA-N 2 0 347.503 2.227 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCOC(C)C)C2)C1 ZINC001265299860 1323051111 /nfs/dbraw/zinc/05/11/11/1323051111.db2.gz VHZKOBBIYTVUSM-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCc1ccc(Cl)cc1 ZINC001265759530 1323366889 /nfs/dbraw/zinc/36/68/89/1323366889.db2.gz XHUZVGKGTOXOEU-PBHICJAKSA-N 2 0 337.895 2.461 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001265843787 1323418081 /nfs/dbraw/zinc/41/80/81/1323418081.db2.gz NJBYRMCNRAFIGT-AWEZNQCLSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc2ccccc2o1 ZINC001265902351 1323471847 /nfs/dbraw/zinc/47/18/47/1323471847.db2.gz MSWVQAMNJBROMA-QGZVFWFLSA-N 2 0 329.444 2.465 10 0 EEAERP O=C(N1CC[C@@H](C[NH2+]CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001265990618 1323549464 /nfs/dbraw/zinc/54/94/64/1323549464.db2.gz RZJCDCCEFNGDKD-KRWDZBQOSA-N 2 0 339.499 2.440 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC[C@H](C)F)C2)CC1 ZINC001266027095 1323578677 /nfs/dbraw/zinc/57/86/77/1323578677.db2.gz YNMVPGJBEIUIJZ-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266041508 1323592800 /nfs/dbraw/zinc/59/28/00/1323592800.db2.gz WVXXFGMFUJVYAC-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC001279388180 1323893664 /nfs/dbraw/zinc/89/36/64/1323893664.db2.gz HNLLTOZWQVCMSQ-BBWFWOEESA-N 2 0 325.472 2.001 10 0 EEAERP Cc1cc(F)ccc1C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687291 1323979415 /nfs/dbraw/zinc/97/94/15/1323979415.db2.gz IETJUUCGFIVLFP-UHFFFAOYSA-N 2 0 345.462 2.478 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001280758479 1324485688 /nfs/dbraw/zinc/48/56/88/1324485688.db2.gz AMUYYXUNDYDZDJ-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001283078897 1325911700 /nfs/dbraw/zinc/91/17/00/1325911700.db2.gz VPAWLVVJUJTYFM-AJNGGQMLSA-N 2 0 347.425 2.440 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001283090697 1325915646 /nfs/dbraw/zinc/91/56/46/1325915646.db2.gz BPUITDQNNLYQRV-JQLVFNICSA-N 2 0 327.900 2.344 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283177469 1325945516 /nfs/dbraw/zinc/94/55/16/1325945516.db2.gz LHHLABQFOFBYGO-QGPMSJSTSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001283663669 1326190051 /nfs/dbraw/zinc/19/00/51/1326190051.db2.gz FEOAGTPVERAAIB-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491848957 1330273381 /nfs/dbraw/zinc/27/33/81/1330273381.db2.gz AFBHVVRKGFAVEZ-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491894846 1330293246 /nfs/dbraw/zinc/29/32/46/1330293246.db2.gz CSOXVWMBNJAVRQ-ZWKOTPCHSA-N 2 0 339.524 2.304 10 0 EEAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001316680387 1331312153 /nfs/dbraw/zinc/31/21/53/1331312153.db2.gz QWVFAXWJODVBIE-FUHWJXTLSA-N 2 0 349.523 2.075 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1CC[NH2+]CCF ZINC001316682914 1331318654 /nfs/dbraw/zinc/31/86/54/1331318654.db2.gz PLDHLBKGOJHKGM-WBVHZDCISA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncsc1C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001316868894 1331798131 /nfs/dbraw/zinc/79/81/31/1331798131.db2.gz BMWXOQBULSVHBR-UHFFFAOYSA-N 2 0 338.521 2.266 10 0 EEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316882114 1331948858 /nfs/dbraw/zinc/94/88/58/1331948858.db2.gz XLYPPYRPLXIFKA-MJGOQNOKSA-N 2 0 347.503 2.376 10 0 EEAERP CCN(CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1nccs1 ZINC001316910855 1331976708 /nfs/dbraw/zinc/97/67/08/1331976708.db2.gz JWDCQRYZQKZKJW-GASCZTMLSA-N 2 0 338.521 2.344 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001316946851 1332008794 /nfs/dbraw/zinc/00/87/94/1332008794.db2.gz FDUWIDOROLGJDD-MJGOQNOKSA-N 2 0 347.503 2.376 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001316992256 1332034210 /nfs/dbraw/zinc/03/42/10/1332034210.db2.gz XWXDYMXOBSTJBD-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001317005225 1332041302 /nfs/dbraw/zinc/04/13/02/1332041302.db2.gz FVRGAGQQEOYJGZ-INIZCTEOSA-N 2 0 325.472 2.193 10 0 EEAERP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[NH+]1CCCCCC1 ZINC001317084983 1332073592 /nfs/dbraw/zinc/07/35/92/1332073592.db2.gz CIHOBBVLNFVBIN-BRWVUGGUSA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317088825 1332074614 /nfs/dbraw/zinc/07/46/14/1332074614.db2.gz AGZKRCSGTCXIRN-IYARVYRRSA-N 2 0 339.524 2.159 10 0 EEAERP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317174419 1332113445 /nfs/dbraw/zinc/11/34/45/1332113445.db2.gz SIACAFVPGSXYDP-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cccc(CCC[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001317281028 1332164136 /nfs/dbraw/zinc/16/41/36/1332164136.db2.gz BIMLIKHHGSSSDP-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001317338806 1332185267 /nfs/dbraw/zinc/18/52/67/1332185267.db2.gz PUSGDQFQLDAVJZ-AZUAARDMSA-N 2 0 343.515 2.399 10 0 EEAERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001317404481 1332216157 /nfs/dbraw/zinc/21/61/57/1332216157.db2.gz VBASIVDJOAHQIP-CYBMUJFWSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1c(C(=O)N(C)CC[NH2+]CCOCC2CCC2)ccc2c[nH+]cn21 ZINC001317602597 1332321120 /nfs/dbraw/zinc/32/11/20/1332321120.db2.gz DJAMIEMOXQJCEE-UHFFFAOYSA-N 2 0 344.459 2.121 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001317605206 1332321673 /nfs/dbraw/zinc/32/16/73/1332321673.db2.gz LVGWTMOSVFLYCW-UHFFFAOYSA-N 2 0 337.414 2.141 10 0 EEAERP COCCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317686805 1332373418 /nfs/dbraw/zinc/37/34/18/1332373418.db2.gz PCCHNCHENHQDPR-INIZCTEOSA-N 2 0 341.540 2.218 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccn1 ZINC001317693054 1332375940 /nfs/dbraw/zinc/37/59/40/1332375940.db2.gz GUGRQTCZSWENAV-GOSISDBHSA-N 2 0 332.492 2.283 10 0 EEAERP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOCCC(C)C)C1 ZINC001318460304 1332542557 /nfs/dbraw/zinc/54/25/57/1332542557.db2.gz XUYQPXJXXMJAPR-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001318571033 1332562200 /nfs/dbraw/zinc/56/22/00/1332562200.db2.gz UNDYUJRLKITBIE-XJKSGUPXSA-N 2 0 340.899 2.306 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)no1 ZINC001318804814 1332601064 /nfs/dbraw/zinc/60/10/64/1332601064.db2.gz KUOOJUBVZMHFTG-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001318831849 1332606940 /nfs/dbraw/zinc/60/69/40/1332606940.db2.gz YMVAVXCJFTXQCD-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]CCF)CC1)[NH+]1CCCC1 ZINC001318937304 1332626643 /nfs/dbraw/zinc/62/66/43/1332626643.db2.gz KIQJRHFAUASKLP-KRWDZBQOSA-N 2 0 327.488 2.295 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001319238064 1332669411 /nfs/dbraw/zinc/66/94/11/1332669411.db2.gz OBKZNPFOKUAKRH-CZUORRHYSA-N 2 0 340.899 2.163 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCc1ccsc1 ZINC001319271166 1332673428 /nfs/dbraw/zinc/67/34/28/1332673428.db2.gz WZCMEIWYCWUBQO-HNNXBMFYSA-N 2 0 335.517 2.118 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCF)C1CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001319651715 1332734189 /nfs/dbraw/zinc/73/41/89/1332734189.db2.gz PMJKUPXVWYABRH-ROUUACIJSA-N 2 0 339.499 2.343 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nccs1 ZINC001319737177 1332754540 /nfs/dbraw/zinc/75/45/40/1332754540.db2.gz WHTLGECYGXYJRQ-CABCVRRESA-N 2 0 336.505 2.098 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319789692 1332768198 /nfs/dbraw/zinc/76/81/98/1332768198.db2.gz AGPUTEBHRKKVJF-NVXWUHKLSA-N 2 0 348.491 2.050 10 0 EEAERP CCOCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001319886606 1332792420 /nfs/dbraw/zinc/79/24/20/1332792420.db2.gz WNZUUFCNMSEOMR-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)ccc1OC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320738489 1332943355 /nfs/dbraw/zinc/94/33/55/1332943355.db2.gz XBPJTEBHNQULHB-SJLPKXTDSA-N 2 0 347.503 2.282 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001320738637 1332943568 /nfs/dbraw/zinc/94/35/68/1332943568.db2.gz ZSKYRQTXVXSEHS-RBUKOAKNSA-N 2 0 346.519 2.367 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)C1CC[NH+](C)CC1 ZINC001320829127 1332961253 /nfs/dbraw/zinc/96/12/53/1332961253.db2.gz CRFKXXOAKLFALE-UHFFFAOYSA-N 2 0 342.487 2.448 10 0 EEAERP CCc1ccc(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001321092135 1333017118 /nfs/dbraw/zinc/01/71/18/1333017118.db2.gz OJCMPBMBEJEMMZ-WAYWQWQTSA-N 2 0 329.488 2.495 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c1 ZINC001321284675 1333064473 /nfs/dbraw/zinc/06/44/73/1333064473.db2.gz HBNHWHFCEWUKPJ-KTBRJVSMSA-N 2 0 342.487 2.169 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321522259 1333117423 /nfs/dbraw/zinc/11/74/23/1333117423.db2.gz HZTSDIJOKGCIDN-IIAWOOMASA-N 2 0 337.895 2.317 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001322642425 1333299886 /nfs/dbraw/zinc/29/98/86/1333299886.db2.gz ZRNJZERBKVNVKK-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)cn1 ZINC001322756927 1333320880 /nfs/dbraw/zinc/32/08/80/1333320880.db2.gz PTWLXTNHVLHYQN-KRWDZBQOSA-N 2 0 347.507 2.016 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322832595 1333336421 /nfs/dbraw/zinc/33/64/21/1333336421.db2.gz WGELDGJFLHVVMN-GOSISDBHSA-N 2 0 346.519 2.403 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)CCCCC1 ZINC001324199581 1333633354 /nfs/dbraw/zinc/63/33/54/1333633354.db2.gz KKRQEQVZLAYWQK-MRXNPFEDSA-N 2 0 327.488 2.439 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1 ZINC001324274134 1333647553 /nfs/dbraw/zinc/64/75/53/1333647553.db2.gz RZUNRKBWHFAQLE-FQEVSTJZSA-N 2 0 343.515 2.468 10 0 EEAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001324993375 1333804390 /nfs/dbraw/zinc/80/43/90/1333804390.db2.gz SSSABUHYYMSECQ-KEGWNNHHSA-N 2 0 337.508 2.082 10 0 EEAERP CCCCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001325162064 1333841124 /nfs/dbraw/zinc/84/11/24/1333841124.db2.gz RJJSMINRRMTCHV-HXUWFJFHSA-N 2 0 347.503 2.105 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001325946313 1334004076 /nfs/dbraw/zinc/00/40/76/1334004076.db2.gz OUQYVBPEPJDFFV-DLBZAZTESA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001326365915 1334076974 /nfs/dbraw/zinc/07/69/74/1334076974.db2.gz WPRPKRSEPZWQEE-OLZOCXBDSA-N 2 0 336.307 2.474 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC001326410781 1334087636 /nfs/dbraw/zinc/08/76/36/1334087636.db2.gz COVFGRFKDFAEGK-AEFFLSMTSA-N 2 0 349.523 2.132 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001326429532 1334092269 /nfs/dbraw/zinc/09/22/69/1334092269.db2.gz FAKWLELLGTUZCP-QWHCGFSZSA-N 2 0 334.291 2.085 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2ccccc2)C1 ZINC001326760986 1334156714 /nfs/dbraw/zinc/15/67/14/1334156714.db2.gz ZYCMXNZFBPLCEX-RBUKOAKNSA-N 2 0 329.488 2.152 10 0 EEAERP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001327646081 1334327421 /nfs/dbraw/zinc/32/74/21/1334327421.db2.gz UGHAMEYZNINNOR-ROUUACIJSA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)COCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001328733918 1334510237 /nfs/dbraw/zinc/51/02/37/1334510237.db2.gz SGORDLNBQFOMKO-KRWDZBQOSA-N 2 0 339.524 2.066 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCOC)CC1(C)C ZINC001330261059 1334814141 /nfs/dbraw/zinc/81/41/41/1334814141.db2.gz FJJCNFGKSZSHMF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330263037 1334814843 /nfs/dbraw/zinc/81/48/43/1334814843.db2.gz NYPFGVGSVKSBTR-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001330686009 1334886882 /nfs/dbraw/zinc/88/68/82/1334886882.db2.gz HVCZNXCMYBSJCG-ORAZFKFHSA-N 2 0 327.900 2.344 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001332209742 1335767553 /nfs/dbraw/zinc/76/75/53/1335767553.db2.gz ZISCIJTXSJICNF-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001332460445 1335829105 /nfs/dbraw/zinc/82/91/05/1335829105.db2.gz RUDJVGZPDRZUBR-KBPBESRZSA-N 2 0 335.414 2.131 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccc(Cl)n1)C(C)(C)C ZINC001332857252 1335919785 /nfs/dbraw/zinc/91/97/85/1335919785.db2.gz LPSJBTLYQXGBBK-CQSZACIVSA-N 2 0 340.899 2.307 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](CCCCOC)CC1 ZINC001333457756 1336050989 /nfs/dbraw/zinc/05/09/89/1336050989.db2.gz MMLMBMXLPXDJQR-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C\c1ccncc1 ZINC000847419334 1338046994 /nfs/dbraw/zinc/04/69/94/1338046994.db2.gz SPNWXGOQPCCXTO-AOBSDOCKSA-N 2 0 344.503 2.359 10 0 EEAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccccc1 ZINC001667508996 1355752645 /nfs/dbraw/zinc/75/26/45/1355752645.db2.gz STYUASZGWMTEMW-IBGZPJMESA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001669909062 1356237386 /nfs/dbraw/zinc/23/73/86/1356237386.db2.gz CLAAGOCQYVEPRO-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCCc2ccccc2)C1 ZINC001436322239 1342026704 /nfs/dbraw/zinc/02/67/04/1342026704.db2.gz NDDWBOZXNPOFLF-AZUAARDMSA-N 2 0 343.515 2.494 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001436349119 1342044875 /nfs/dbraw/zinc/04/48/75/1342044875.db2.gz BSWUGKNSZVMOFS-BARDWOONSA-N 2 0 347.425 2.440 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001436365259 1342054254 /nfs/dbraw/zinc/05/42/54/1342054254.db2.gz LPRQMLWQVMGGAG-QFDSWDFVSA-N 2 0 327.472 2.280 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001436381144 1342062111 /nfs/dbraw/zinc/06/21/11/1342062111.db2.gz HQKKITCVESOQFU-KKUMJFAQSA-N 2 0 345.422 2.113 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001500347544 1342175588 /nfs/dbraw/zinc/17/55/88/1342175588.db2.gz ICBRYCRKKDCLKQ-LZWOXQAQSA-N 2 0 349.441 2.497 10 0 EEAERP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001502496050 1342198346 /nfs/dbraw/zinc/19/83/46/1342198346.db2.gz DYZVZGUFTCTMDH-UHFFFAOYSA-N 2 0 344.503 2.427 10 0 EEAERP COCCCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001673989021 1356767809 /nfs/dbraw/zinc/76/78/09/1356767809.db2.gz LVUNXKDHMKKTBQ-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001566905214 1342649577 /nfs/dbraw/zinc/64/95/77/1342649577.db2.gz OKXZDPYYJXBKNY-RDJZCZTQSA-N 2 0 337.533 2.459 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)sc1C ZINC001569999439 1342994331 /nfs/dbraw/zinc/99/43/31/1342994331.db2.gz AAGCLHXERBKGGF-HNNXBMFYSA-N 2 0 338.521 2.040 10 0 EEAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001570387074 1343063241 /nfs/dbraw/zinc/06/32/41/1343063241.db2.gz CRCNPBOUFKIHDO-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001571143937 1343165084 /nfs/dbraw/zinc/16/50/84/1343165084.db2.gz ONRCXQAHCKLMAG-QGPMSJSTSA-N 2 0 349.906 2.461 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC/C=C\c1ccccc1 ZINC001676481057 1357156029 /nfs/dbraw/zinc/15/60/29/1357156029.db2.gz OSZDCZZIDRDCDH-YIEHMZNDSA-N 2 0 329.488 2.478 10 0 EEAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1cccnc1 ZINC001676893470 1357234928 /nfs/dbraw/zinc/23/49/28/1357234928.db2.gz JPRJARABZLOOKI-SJLPKXTDSA-N 2 0 332.492 2.283 10 0 EEAERP COCCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001677215174 1357295841 /nfs/dbraw/zinc/29/58/41/1357295841.db2.gz DYCLPKOFWHCNEG-MSOLQXFVSA-N 2 0 339.524 2.209 10 0 EEAERP COCCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001677215177 1357295981 /nfs/dbraw/zinc/29/59/81/1357295981.db2.gz DYCLPKOFWHCNEG-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)OCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001677574092 1357359723 /nfs/dbraw/zinc/35/97/23/1357359723.db2.gz FHHMIZQKJFIEDM-GOSISDBHSA-N 2 0 337.508 2.034 10 0 EEAERP CCc1onc(C)c1C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001677593795 1357366443 /nfs/dbraw/zinc/36/64/43/1357366443.db2.gz CABUETBZTVZLEI-UHFFFAOYSA-N 2 0 348.491 2.136 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@H]2C1 ZINC001646941728 1353061097 /nfs/dbraw/zinc/06/10/97/1353061097.db2.gz VPDKJKFCQMECCN-VJULDXEBSA-N 2 0 348.535 2.423 10 0 EEAERP COc1cccc(CCC[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001649464614 1353519942 /nfs/dbraw/zinc/51/99/42/1353519942.db2.gz RKGWOVBCQCXFBK-LPHOPBHVSA-N 2 0 347.503 2.016 10 0 EEAERP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001650042704 1353697520 /nfs/dbraw/zinc/69/75/20/1353697520.db2.gz VTHZROATSSTIFS-MJGOQNOKSA-N 2 0 344.503 2.305 10 0 EEAERP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]Cc1ccon1 ZINC001656611578 1354252495 /nfs/dbraw/zinc/25/24/95/1354252495.db2.gz SQIYXAIOEYRUTI-NXHRZFHOSA-N 2 0 348.491 2.266 10 0 EEAERP CCCCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001656880795 1354291911 /nfs/dbraw/zinc/29/19/11/1354291911.db2.gz LNKQUXKCVVPOPJ-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001657102621 1354326504 /nfs/dbraw/zinc/32/65/04/1354326504.db2.gz WWDMFVJAOWQQDA-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(F)c(C[N@H+](C)CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001660147087 1354403917 /nfs/dbraw/zinc/40/39/17/1354403917.db2.gz XLKZUYUOFHMLTN-SFHVURJKSA-N 2 0 347.478 2.414 10 0 EEAERP CC[C@H](F)C[N@H+](CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660546109 1354486738 /nfs/dbraw/zinc/48/67/38/1354486738.db2.gz SJRHQXNJTOUKNT-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1cnccn1 ZINC001660599343 1354498517 /nfs/dbraw/zinc/49/85/17/1354498517.db2.gz WCISRPABZHJLMM-MRXNPFEDSA-N 2 0 347.507 2.098 10 0 EEAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCCCCF)CC1 ZINC001660784452 1354538042 /nfs/dbraw/zinc/53/80/42/1354538042.db2.gz VZFQULQAUSLVHL-UHFFFAOYSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCOc3ccccc3)C2)CC[N@@H+]1C ZINC001661427378 1354637796 /nfs/dbraw/zinc/63/77/96/1354637796.db2.gz VPHFDHAQKPUFCZ-PBWTXFEYSA-N 2 0 345.487 2.033 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001661555207 1354657456 /nfs/dbraw/zinc/65/74/56/1354657456.db2.gz KPIRSYNKEZUUBF-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001661614736 1354665374 /nfs/dbraw/zinc/66/53/74/1354665374.db2.gz OOVOUVOYSKIRCK-ZIFCJYIRSA-N 2 0 347.503 2.259 10 0 EEAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001661798929 1354699674 /nfs/dbraw/zinc/69/96/74/1354699674.db2.gz UXAILDJERHPHHC-HNNXBMFYSA-N 2 0 345.422 2.069 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662712669 1354830420 /nfs/dbraw/zinc/83/04/20/1354830420.db2.gz SRAKAGFIYRKRLV-QZTJIDSGSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001664008296 1355073021 /nfs/dbraw/zinc/07/30/21/1355073021.db2.gz GGIMFEIOZWUEDB-UHFFFAOYSA-N 2 0 329.488 2.419 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCCOC)C1 ZINC001665715335 1355370312 /nfs/dbraw/zinc/37/03/12/1355370312.db2.gz OSCMQAGELZBFLP-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP CCOCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001666063029 1355437273 /nfs/dbraw/zinc/43/72/73/1355437273.db2.gz OEEZOMYTAHIOOZ-APWZRJJASA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)COCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001667239013 1355683426 /nfs/dbraw/zinc/68/34/26/1355683426.db2.gz RMJMYDLULSTBDD-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668235076 1355905500 /nfs/dbraw/zinc/90/55/00/1355905500.db2.gz XELBAGVRDNDSHG-ZBFHGGJFSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668273397 1355912812 /nfs/dbraw/zinc/91/28/12/1355912812.db2.gz HFWIOXUOOHHOAF-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668274395 1355913198 /nfs/dbraw/zinc/91/31/98/1355913198.db2.gz RMHWTEUBKAPELU-CABCVRRESA-N 2 0 344.459 2.154 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1F ZINC001668828986 1356014890 /nfs/dbraw/zinc/01/48/90/1356014890.db2.gz VCMCMUKLFFWXOJ-PUBSZHEZSA-N 2 0 345.462 2.491 10 0 EEAERP O=C(NC/C=C/C[NH2+]CCC(F)(F)F)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668882863 1356034249 /nfs/dbraw/zinc/03/42/49/1356034249.db2.gz KXRHXGZPDLRWAQ-DHMVDLOISA-N 2 0 333.398 2.218 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001669039192 1356074372 /nfs/dbraw/zinc/07/43/72/1356074372.db2.gz KXDFUJDYQWRBIL-VOTSOKGWSA-N 2 0 332.492 2.130 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001669293821 1356141262 /nfs/dbraw/zinc/14/12/62/1356141262.db2.gz RRSATZIPKLGUMX-UZLBHIALSA-N 2 0 343.515 2.228 10 0 EEAERP C[C@@H]1C[C@H](C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001670357690 1356327225 /nfs/dbraw/zinc/32/72/25/1356327225.db2.gz NVDLODGYIOVSQL-QZTJIDSGSA-N 2 0 339.524 2.116 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001672320701 1356501145 /nfs/dbraw/zinc/50/11/45/1356501145.db2.gz MVVONYQVAQILRB-QFBILLFUSA-N 2 0 347.503 2.082 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2coc(C)n2)C1 ZINC001672917013 1356614590 /nfs/dbraw/zinc/61/45/90/1356614590.db2.gz TVWKSOGJBIZPHQ-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001673288405 1356661880 /nfs/dbraw/zinc/66/18/80/1356661880.db2.gz JQTKLXYIUJXYAA-QGZVFWFLSA-N 2 0 337.508 2.012 10 0 EEAERP CC(C)OCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674686276 1356875910 /nfs/dbraw/zinc/87/59/10/1356875910.db2.gz DLBWGQPPGXEXBA-DLBZAZTESA-N 2 0 339.524 2.160 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCCOC)CC1 ZINC001674812770 1356900113 /nfs/dbraw/zinc/90/01/13/1356900113.db2.gz WGZWMJWQCBSWJO-ABHNRTSZSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CC(C)(C)C[NH2+]CCc1cccs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674872603 1356905223 /nfs/dbraw/zinc/90/52/23/1356905223.db2.gz PBLFPRMZXBJKDN-OAHLLOKOSA-N 2 0 337.533 2.317 10 0 EEAERP CC(C)C[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001675153339 1356939519 /nfs/dbraw/zinc/93/95/19/1356939519.db2.gz BRVLRIXQHBAJFT-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001675258011 1356953053 /nfs/dbraw/zinc/95/30/53/1356953053.db2.gz MKHFOFLOKGIVBR-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001675782083 1357049099 /nfs/dbraw/zinc/04/90/99/1357049099.db2.gz QGDWGZAHKOQLKP-PSVUTLLTSA-N 2 0 327.900 2.345 10 0 EEAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698824666 1405091208 /nfs/dbraw/zinc/09/12/08/1405091208.db2.gz PBYPGKZMFJEIQX-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@@H](CC[NH2+]CC[C@@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699101817 1405254312 /nfs/dbraw/zinc/25/43/12/1405254312.db2.gz XQGJGTMWYSGBOA-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131311 1405283115 /nfs/dbraw/zinc/28/31/15/1405283115.db2.gz LTCSBYKRZFFIND-HNNXBMFYSA-N 2 0 335.467 2.460 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001699262743 1405305555 /nfs/dbraw/zinc/30/55/55/1405305555.db2.gz UZXAVARTAJTZRA-YADGQWAMSA-N 2 0 341.499 2.407 10 0 EEAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCCO1)[NH+]1CCCC1 ZINC001699292753 1405323748 /nfs/dbraw/zinc/32/37/48/1405323748.db2.gz WCMIHKDKCMCGLT-BDUNBXCCSA-N 2 0 337.508 2.082 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001699545422 1405379432 /nfs/dbraw/zinc/37/94/32/1405379432.db2.gz PVLLVZBVRNCMOK-MRXNPFEDSA-N 2 0 327.419 2.243 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)co1 ZINC001699545172 1405379610 /nfs/dbraw/zinc/37/96/10/1405379610.db2.gz HBXCWGXWYPNZIX-RDJZCZTQSA-N 2 0 336.480 2.042 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000921330971 773274618 /nfs/dbraw/zinc/27/46/18/773274618.db2.gz TUMUSKZQVMNRMJ-KSZLIROESA-N 2 0 347.507 2.246 10 0 EEAERP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000925828970 778790336 /nfs/dbraw/zinc/79/03/36/778790336.db2.gz KXZFOHYAXWPZKC-QMIVOQANSA-N 2 0 336.398 2.233 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000908083191 785051075 /nfs/dbraw/zinc/05/10/75/785051075.db2.gz QUCMCOMUNCKQLG-MRXNPFEDSA-N 2 0 347.528 2.433 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000817932850 785111950 /nfs/dbraw/zinc/11/19/50/785111950.db2.gz WPWKOWSBRKJLLC-GDBMZVCRSA-N 2 0 334.464 2.011 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2C(F)F)C[C@H]1C[NH+](C)C ZINC000825141386 788455646 /nfs/dbraw/zinc/45/56/46/788455646.db2.gz JKRFNYZDTPKCQN-VXGBXAGGSA-N 2 0 345.459 2.497 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)cn2)CC1 ZINC000921523395 788838455 /nfs/dbraw/zinc/83/84/55/788838455.db2.gz ZGWZJXHSFCGWGQ-CEXWTWQISA-N 2 0 344.503 2.128 10 0 EEAERP C[NH+](C)CCOc1cc(-c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)ccn1 ZINC000844911858 789483165 /nfs/dbraw/zinc/48/31/65/789483165.db2.gz ANFVUQGVOZJFJV-CABCVRRESA-N 2 0 343.431 2.275 10 0 EEAERP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452384 789585413 /nfs/dbraw/zinc/58/54/13/789585413.db2.gz UMMAMGQYMTVUQS-HNNXBMFYSA-N 2 0 341.455 2.489 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921604248 789826548 /nfs/dbraw/zinc/82/65/48/789826548.db2.gz QBPMJWMBKIBEHV-NZSAHSFTSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000925346128 795367701 /nfs/dbraw/zinc/36/77/01/795367701.db2.gz ZCIWSNOLFRAVBW-KCXAZCMYSA-N 2 0 338.883 2.335 10 0 EEAERP COCC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716693158 796443390 /nfs/dbraw/zinc/44/33/90/796443390.db2.gz OCAREXWRXYMXQQ-LWYYNNOASA-N 2 0 332.488 2.417 10 0 EEAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCOCC1 ZINC000922743931 801811678 /nfs/dbraw/zinc/81/16/78/801811678.db2.gz AAWPMISUZUYPMM-IEBWSBKVSA-N 2 0 331.504 2.207 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC=C(Cl)Cl ZINC001448564811 1093612785 /nfs/dbraw/zinc/61/27/85/1093612785.db2.gz VOOGHTCFTRNPGE-CHWSQXEVSA-N 2 0 336.307 2.378 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H]1CCCC1(F)F ZINC001566439645 1125601506 /nfs/dbraw/zinc/60/15/06/1125601506.db2.gz FBLAIQFSFWVXIY-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001566456523 1125616912 /nfs/dbraw/zinc/61/69/12/1125616912.db2.gz HQDBTWHVYZGCQY-ZWKOTPCHSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccncc1C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001566484642 1125646690 /nfs/dbraw/zinc/64/66/90/1125646690.db2.gz QXMDUUXOJBRKGH-IRXDYDNUSA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[C@H](C(=O)NCCCN(C)[C@@H](C)c1ncccn1)[NH+]1CCCC1 ZINC001566519868 1125690870 /nfs/dbraw/zinc/69/08/70/1125690870.db2.gz INVXKLVNJFXKKR-DLBZAZTESA-N 2 0 347.507 2.096 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001436415417 1087769752 /nfs/dbraw/zinc/76/97/52/1087769752.db2.gz SBGBFITZMOIPDU-DZGCQCFKSA-N 2 0 329.435 2.002 10 0 EEAERP COc1ccc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)cc1 ZINC001436489336 1087985431 /nfs/dbraw/zinc/98/54/31/1087985431.db2.gz MFVOSGSQBBYLEC-APWZRJJASA-N 2 0 347.503 2.157 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)CC(C)(C)C1 ZINC001436502311 1088036486 /nfs/dbraw/zinc/03/64/86/1088036486.db2.gz XPBACVVDJZRQGX-INIZCTEOSA-N 2 0 332.492 2.140 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)[C@@H]1C ZINC001436516321 1088053050 /nfs/dbraw/zinc/05/30/50/1088053050.db2.gz WWEZXPVVWPHFNJ-ILXRZTDVSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC001436805656 1088386084 /nfs/dbraw/zinc/38/60/84/1088386084.db2.gz BUUFHIDZJQGFMA-ZLIFDBKOSA-N 2 0 348.491 2.006 10 0 EEAERP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C[C@H](CC)OC)C2)[NH+](CC)CC ZINC001436861202 1088511118 /nfs/dbraw/zinc/51/11/18/1088511118.db2.gz NKYMQULSSVWGJQ-XWTMOSNGSA-N 2 0 339.524 2.207 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001436911441 1088567999 /nfs/dbraw/zinc/56/79/99/1088567999.db2.gz GVGZHTJZRFGLAA-LERXQTSPSA-N 2 0 347.488 2.099 10 0 EEAERP C[C@H]1C[C@H](C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)CCO1 ZINC001436916615 1088577648 /nfs/dbraw/zinc/57/76/48/1088577648.db2.gz SVYXCXIJMMYRNE-YVSFHVDLSA-N 2 0 339.524 2.016 10 0 EEAERP COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)ccc1C ZINC001436934177 1088606435 /nfs/dbraw/zinc/60/64/35/1088606435.db2.gz GXUJGRQGVQLGKV-QAQDUYKDSA-N 2 0 333.476 2.081 10 0 EEAERP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001437060949 1088968796 /nfs/dbraw/zinc/96/87/96/1088968796.db2.gz CUTRAKLSECCSEW-GDBMZVCRSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437161721 1089170560 /nfs/dbraw/zinc/17/05/60/1089170560.db2.gz HBXHJNYIQDDOFA-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001437237067 1089340528 /nfs/dbraw/zinc/34/05/28/1089340528.db2.gz NFKGXARWUFCKJX-INIZCTEOSA-N 2 0 345.487 2.164 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1OC1CC1 ZINC001437372989 1089614703 /nfs/dbraw/zinc/61/47/03/1089614703.db2.gz HOYCRAKMJUVLKF-QAPCUYQASA-N 2 0 345.487 2.306 10 0 EEAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001437406081 1089681860 /nfs/dbraw/zinc/68/18/60/1089681860.db2.gz XLDFIHCTAOELQQ-IAGOWNOFSA-N 2 0 331.504 2.228 10 0 EEAERP C[C@@H]1CC[C@H](C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)O1 ZINC001437484246 1089841630 /nfs/dbraw/zinc/84/16/30/1089841630.db2.gz NTHWSULCMXASKU-NVXWUHKLSA-N 2 0 339.524 2.255 10 0 EEAERP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437718999 1090269439 /nfs/dbraw/zinc/26/94/39/1090269439.db2.gz GJIFZVHKOLDGDM-UONOGXRCSA-N 2 0 339.430 2.416 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001437878260 1090454227 /nfs/dbraw/zinc/45/42/27/1090454227.db2.gz BOOMZZDVCKWSOQ-FQBWVUSXSA-N 2 0 333.520 2.438 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC001438191426 1090690000 /nfs/dbraw/zinc/69/00/00/1090690000.db2.gz DAVSNGMIMKKESC-INIZCTEOSA-N 2 0 337.895 2.415 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001438234165 1090714816 /nfs/dbraw/zinc/71/48/16/1090714816.db2.gz URYFJWBDACPJQG-QZTJIDSGSA-N 2 0 339.524 2.207 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC(F)(F)CC1 ZINC001438378134 1090857637 /nfs/dbraw/zinc/85/76/37/1090857637.db2.gz NSNFKJINBVGNRK-HNNXBMFYSA-N 2 0 343.462 2.392 10 0 EEAERP COc1ccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)cc1 ZINC001438613507 1091103345 /nfs/dbraw/zinc/10/33/45/1091103345.db2.gz QCHWLVMXDBIYJI-UHFFFAOYSA-N 2 0 345.487 2.310 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438723305 1091251856 /nfs/dbraw/zinc/25/18/56/1091251856.db2.gz QQIZHNVEBKYHFH-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001445593684 1091385725 /nfs/dbraw/zinc/38/57/25/1091385725.db2.gz NOOVSEVZHIHYAE-WMLDXEAASA-N 2 0 342.443 2.030 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccnc1 ZINC001438805374 1091413411 /nfs/dbraw/zinc/41/34/11/1091413411.db2.gz ARIIOQUAJBHWJQ-RYQLBKOJSA-N 2 0 332.492 2.042 10 0 EEAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCn2cncc2C1 ZINC001438901247 1091560054 /nfs/dbraw/zinc/56/00/54/1091560054.db2.gz ZFDIFIADMHJXHQ-INIZCTEOSA-N 2 0 332.492 2.272 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439147216 1091790606 /nfs/dbraw/zinc/79/06/06/1091790606.db2.gz HWGXSKYXGGPNKC-RDBSUJKOSA-N 2 0 339.430 2.289 10 0 EEAERP CCc1onc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001439181715 1091829715 /nfs/dbraw/zinc/82/97/15/1091829715.db2.gz IGZDVTOOFBHUAT-CQSZACIVSA-N 2 0 336.480 2.016 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001445982847 1091947076 /nfs/dbraw/zinc/94/70/76/1091947076.db2.gz QKNDPURVLFVAIF-DNVCBOLYSA-N 2 0 347.478 2.460 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001445989492 1091959432 /nfs/dbraw/zinc/95/94/32/1091959432.db2.gz QDWQFAQPCRAKLR-JKSUJKDBSA-N 2 0 348.491 2.043 10 0 EEAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCOC1CCC1 ZINC001439378114 1092119877 /nfs/dbraw/zinc/11/98/77/1092119877.db2.gz IDIRGKSCKVOKRB-WMZOPIPTSA-N 2 0 339.524 2.255 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ncccc1C)C1CC1 ZINC001439460117 1092236941 /nfs/dbraw/zinc/23/69/41/1092236941.db2.gz WHHATIIXPVNHBQ-MOPGFXCFSA-N 2 0 344.503 2.249 10 0 EEAERP Cc1ncccc1C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001446346525 1092559103 /nfs/dbraw/zinc/55/91/03/1092559103.db2.gz VHSMGIJREMTQQZ-FQEVSTJZSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001439809842 1092774064 /nfs/dbraw/zinc/77/40/64/1092774064.db2.gz DLFWSHUBKAVOLK-HOTGVXAUSA-N 2 0 325.472 2.095 10 0 EEAERP Cc1ccc(CCC[N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001439850998 1092865790 /nfs/dbraw/zinc/86/57/90/1092865790.db2.gz LYALMCZKDTZCDJ-FQEVSTJZSA-N 2 0 331.504 2.460 10 0 EEAERP Cc1conc1C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001439912729 1092984974 /nfs/dbraw/zinc/98/49/74/1092984974.db2.gz XEFIIZCWHNEBIJ-LJQANCHMSA-N 2 0 348.491 2.187 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001439914508 1092989768 /nfs/dbraw/zinc/98/97/68/1092989768.db2.gz UBKYKKPZYCQZAY-MJGOQNOKSA-N 2 0 333.520 2.347 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001439934787 1093023815 /nfs/dbraw/zinc/02/38/15/1093023815.db2.gz TXKTVHNCPXRWLM-WBVHZDCISA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccs2)CC1 ZINC001440222466 1093301195 /nfs/dbraw/zinc/30/11/95/1093301195.db2.gz KPDSDNDYNPBNMJ-SHTZXODSSA-N 2 0 338.521 2.248 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](C[C@@H](C)CC)CCO2 ZINC001448399417 1093402733 /nfs/dbraw/zinc/40/27/33/1093402733.db2.gz WDDFGQZKLFSXMF-PKOBYXMFSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001448447906 1093458441 /nfs/dbraw/zinc/45/84/41/1093458441.db2.gz KXNZDBVUBKHWNC-XLAORIBOSA-N 2 0 339.499 2.295 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001440354052 1093508815 /nfs/dbraw/zinc/50/88/15/1093508815.db2.gz AHMNGQPSGJOHMK-KPGIPAPCSA-N 2 0 325.884 2.240 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001448513220 1093539671 /nfs/dbraw/zinc/53/96/71/1093539671.db2.gz WPGBOSZGRWUHJA-SAZUREKKSA-N 2 0 339.430 2.289 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001440472931 1093699406 /nfs/dbraw/zinc/69/94/06/1093699406.db2.gz OZQVVCLJUYCKGJ-MSOLQXFVSA-N 2 0 347.478 2.446 10 0 EEAERP COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001440537771 1093802189 /nfs/dbraw/zinc/80/21/89/1093802189.db2.gz QWQYDRMZRYZSCE-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001448780274 1093860558 /nfs/dbraw/zinc/86/05/58/1093860558.db2.gz YORPIPOHJRYEPA-DOTOQJQBSA-N 2 0 342.487 2.446 10 0 EEAERP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001440729980 1093976884 /nfs/dbraw/zinc/97/68/84/1093976884.db2.gz DUDDLOJCDAITAG-GOSISDBHSA-N 2 0 347.503 2.248 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001440792757 1094034487 /nfs/dbraw/zinc/03/44/87/1094034487.db2.gz AKBUUEKXJHRDOQ-GJZGRUSLSA-N 2 0 348.466 2.080 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2nsnc21 ZINC001440826574 1094080027 /nfs/dbraw/zinc/08/00/27/1094080027.db2.gz BXMLIDQOQLPBAT-CHWSQXEVSA-N 2 0 349.504 2.016 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001449077380 1094091527 /nfs/dbraw/zinc/09/15/27/1094091527.db2.gz KRYMKJCQDBSQLT-CHWSQXEVSA-N 2 0 335.414 2.250 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001440855559 1094115246 /nfs/dbraw/zinc/11/52/46/1094115246.db2.gz JDFVUOZFPSKKPB-STQMWFEESA-N 2 0 327.419 2.288 10 0 EEAERP Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)c(C)o1 ZINC001440891697 1094150394 /nfs/dbraw/zinc/15/03/94/1094150394.db2.gz ZQZHJYZVSYUKBO-UHFFFAOYSA-N 2 0 338.496 2.206 10 0 EEAERP COc1ccccc1CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001440905471 1094159762 /nfs/dbraw/zinc/15/97/62/1094159762.db2.gz BNALYYYKBSAJAF-AEFFLSMTSA-N 2 0 347.503 2.159 10 0 EEAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1oc(C)nc1C)C(C)(C)C)[NH+](C)C ZINC001449311805 1094264852 /nfs/dbraw/zinc/26/48/52/1094264852.db2.gz SIHBNBIPRCWURH-GDBMZVCRSA-N 2 0 338.496 2.252 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)n1 ZINC001449332943 1094285385 /nfs/dbraw/zinc/28/53/85/1094285385.db2.gz YQXYDRBLDVWEIZ-KBPBESRZSA-N 2 0 338.521 2.024 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001441027116 1094315559 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AWEDTXGNGGDQRJ-CALCHBBNSA-N 2 0 333.451 2.213 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C)oc2C)C1)[NH+](CC)CC ZINC001441503821 1095187568 /nfs/dbraw/zinc/18/75/68/1095187568.db2.gz FWTVECZGLYIEQG-HLLBOEOZSA-N 2 0 336.480 2.149 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001441506261 1095191129 /nfs/dbraw/zinc/19/11/29/1095191129.db2.gz RCXYYSSPSADGFN-BETUJISGSA-N 2 0 327.831 2.168 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001441656265 1095617540 /nfs/dbraw/zinc/61/75/40/1095617540.db2.gz LBANKSYQPNXGJY-CYBMUJFWSA-N 2 0 326.872 2.012 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCc1ccns1 ZINC001441846664 1095929163 /nfs/dbraw/zinc/92/91/63/1095929163.db2.gz IYDOVMFXYGDPAH-AWEZNQCLSA-N 2 0 338.521 2.044 10 0 EEAERP Cc1oncc1C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001441860156 1095959983 /nfs/dbraw/zinc/95/99/83/1095959983.db2.gz IGDWUBJPTCRUBT-HKUYNNGSSA-N 2 0 346.475 2.081 10 0 EEAERP 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KTKNSCDTTMMCCD-GOEBONIOSA-N 2 0 338.521 2.166 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc(C)oc1C ZINC001445105778 1100341919 /nfs/dbraw/zinc/34/19/19/1100341919.db2.gz HMVZCXWYXNOXGO-HZPDHXFCSA-N 2 0 336.480 2.008 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)cc2)C1 ZINC001480521915 1100351664 /nfs/dbraw/zinc/35/16/64/1100351664.db2.gz LYEWXFFKDWLMNM-FUHWJXTLSA-N 2 0 347.503 2.412 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCc1cccc(F)c1 ZINC001480530013 1100360644 /nfs/dbraw/zinc/36/06/44/1100360644.db2.gz AIVCFBSQVVTVRM-HNNXBMFYSA-N 2 0 335.467 2.194 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cncs1)c1ccccc1 ZINC001480569432 1100413638 /nfs/dbraw/zinc/41/36/38/1100413638.db2.gz IQPZINQKERUTBE-YOEHRIQHSA-N 2 0 346.500 2.430 10 0 EEAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001480571987 1100415960 /nfs/dbraw/zinc/41/59/60/1100415960.db2.gz QFAMPKWKQHYAKE-CHWSQXEVSA-N 2 0 341.858 2.415 10 0 EEAERP 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ZINC001505818461 1114212678 /nfs/dbraw/zinc/21/26/78/1114212678.db2.gz WRCSVAARRZZVJP-CYBMUJFWSA-N 2 0 337.430 2.497 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001506001728 1114334060 /nfs/dbraw/zinc/33/40/60/1114334060.db2.gz HKSGCDCOWHXTGA-SJORKVTESA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001506038385 1114365473 /nfs/dbraw/zinc/36/54/73/1114365473.db2.gz IXTZASDSKIHIIG-RDJZCZTQSA-N 2 0 342.487 2.446 10 0 EEAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2c(c1)CCC2 ZINC001506039539 1114366337 /nfs/dbraw/zinc/36/63/37/1114366337.db2.gz WGCGRAFPKVLJCO-FUHWJXTLSA-N 2 0 343.515 2.454 10 0 EEAERP CC[C@H](F)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001506521433 1114670444 /nfs/dbraw/zinc/67/04/44/1114670444.db2.gz FLIJKIKHWCVXOV-CVEARBPZSA-N 2 0 327.488 2.485 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001506895685 1114956695 /nfs/dbraw/zinc/95/66/95/1114956695.db2.gz CGPLCVVVSWZNHD-HDJSIYSDSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1sccc1Cl ZINC001507146191 1115132240 /nfs/dbraw/zinc/13/22/40/1115132240.db2.gz BRTXGKGSUJVJRJ-GFCCVEGCSA-N 2 0 341.908 2.434 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001507154982 1115137358 /nfs/dbraw/zinc/13/73/58/1115137358.db2.gz PJFBMAYCSBMJCB-SJLPKXTDSA-N 2 0 347.503 2.362 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1 ZINC001507296030 1115179473 /nfs/dbraw/zinc/17/94/73/1115179473.db2.gz GTPSMAWTUQHFHH-MAUKXSAKSA-N 2 0 333.476 2.114 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)CC[NH+](C)C ZINC001507315732 1115188275 /nfs/dbraw/zinc/18/82/75/1115188275.db2.gz CDGFBHXVNANIKO-CRAIPNDOSA-N 2 0 335.467 2.289 10 0 EEAERP CC(C)[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001507390799 1115247604 /nfs/dbraw/zinc/24/76/04/1115247604.db2.gz ZKHPEZLUTAAULN-UXHICEINSA-N 2 0 343.515 2.444 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001507441908 1115271390 /nfs/dbraw/zinc/27/13/90/1115271390.db2.gz FCDBRVSFHXCYBF-SFHVURJKSA-N 2 0 347.503 2.234 10 0 EEAERP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001568109996 1124307310 /nfs/dbraw/zinc/30/73/10/1124307310.db2.gz LXNIQPCXIQBEEL-BZSNNMDCSA-N 2 0 339.524 2.018 10 0 EEAERP CCOCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001568345642 1124429281 /nfs/dbraw/zinc/42/92/81/1124429281.db2.gz NTGRXKXIQVWBCP-SFHVURJKSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568713647 1124731306 /nfs/dbraw/zinc/73/13/06/1124731306.db2.gz HQZRUGARPRINDC-PKOBYXMFSA-N 2 0 346.519 2.495 10 0 EEAERP CCN(CC[NH2+]C[C@@H](OC)C1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568753228 1124767647 /nfs/dbraw/zinc/76/76/47/1124767647.db2.gz BOBPVIJOGMRHLF-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)ns1 ZINC001568859208 1124882418 /nfs/dbraw/zinc/88/24/18/1124882418.db2.gz YEXDZSOAEVEOJE-APHBUQMISA-N 2 0 336.505 2.088 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568952252 1124987447 /nfs/dbraw/zinc/98/74/47/1124987447.db2.gz VXMFAKISUQFBCU-BAHPRDJBSA-N 2 0 340.471 2.272 10 0 EEAERP Cc1ccccc1OCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001569133027 1125118420 /nfs/dbraw/zinc/11/84/20/1125118420.db2.gz OEHPUVXQOSNBCM-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)C[NH+]1CCCC1 ZINC001569267289 1125206718 /nfs/dbraw/zinc/20/67/18/1125206718.db2.gz QDUSOQKHWMYGGI-UHFFFAOYSA-N 2 0 329.897 2.435 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CC=C(Cl)Cl)C2CC2)CC1 ZINC001569315979 1125224764 /nfs/dbraw/zinc/22/47/64/1125224764.db2.gz CQFFLFIFULFMJH-LBPRGKRZSA-N 2 0 334.291 2.132 10 0 EEAERP CC[NH2+]Cc1cc(Br)cnc1N(C)C1CC[NH+](C)CC1 ZINC000051434904 214094030 /nfs/dbraw/zinc/09/40/30/214094030.db2.gz LJHPXQONAISGRS-UHFFFAOYSA-N 2 0 341.297 2.484 10 0 EEAERP C[NH+](C)C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000105093979 282131797 /nfs/dbraw/zinc/13/17/97/282131797.db2.gz GGUJHSPGUROYJS-SFHVURJKSA-N 2 0 332.492 2.463 10 0 EEAERP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)[C@H]2C1 ZINC000092095494 539381509 /nfs/dbraw/zinc/38/15/09/539381509.db2.gz DIWBAVITTMXCRI-HSALFYBXSA-N 2 0 348.487 2.395 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCC(=O)NC)CC1 ZINC000093717728 283349400 /nfs/dbraw/zinc/34/94/00/283349400.db2.gz ISRBLOSVJGQARB-UHFFFAOYSA-N 2 0 346.519 2.177 10 0 EEAERP C[C@H]([NH2+]CCN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000038003377 213187824 /nfs/dbraw/zinc/18/78/24/213187824.db2.gz KQKNGMMCBLMRIK-NSHDSACASA-N 2 0 332.311 2.409 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419002786 239395936 /nfs/dbraw/zinc/39/59/36/239395936.db2.gz QCVOSFGBUXXMDH-STQMWFEESA-N 2 0 333.407 2.274 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422731308 240197725 /nfs/dbraw/zinc/19/77/25/240197725.db2.gz NLNBDNWAGFZLPE-SNRMKQJTSA-N 2 0 331.504 2.472 10 0 EEAERP COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422876250 240272653 /nfs/dbraw/zinc/27/26/53/240272653.db2.gz QBRSUGQBNPUKGS-PMRDEQMMSA-N 2 0 345.487 2.403 10 0 EEAERP C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995877 240320692 /nfs/dbraw/zinc/32/06/92/240320692.db2.gz ZRLRZBJEAYNHTL-IVMMDQJWSA-N 2 0 330.394 2.444 10 0 EEAERP COc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423059214 240346573 /nfs/dbraw/zinc/34/65/73/240346573.db2.gz FHAGIYBMHNSUHX-ZLKJLUDKSA-N 2 0 343.265 2.300 10 0 EEAERP C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1C[NH2+]C1 ZINC000423157453 240389300 /nfs/dbraw/zinc/38/93/00/240389300.db2.gz VBZFMUKHLLWLLJ-SMDDNHRTSA-N 2 0 332.398 2.341 10 0 EEAERP CC[NH+](CC)[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422734531 284825496 /nfs/dbraw/zinc/82/54/96/284825496.db2.gz TZAXHISEKXUMLJ-VAMGGRTRSA-N 2 0 331.504 2.426 10 0 EEAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000268737524 252187347 /nfs/dbraw/zinc/18/73/47/252187347.db2.gz OOVYKEFQJNALJF-PZJWPPBQSA-N 2 0 344.547 2.124 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000113624849 220585204 /nfs/dbraw/zinc/58/52/04/220585204.db2.gz BXWSDJAOEOUMBR-DOTOQJQBSA-N 2 0 332.492 2.461 10 0 EEAERP Cc1cnc(C)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000273850478 256333029 /nfs/dbraw/zinc/33/30/29/256333029.db2.gz JRTYUXXAQPQAAQ-UHFFFAOYSA-N 2 0 326.448 2.113 10 0 EEAERP CCC[NH+]1CCN(c2ncc(Br)cc2C[NH2+]CC)CC1 ZINC000051436466 132181190 /nfs/dbraw/zinc/18/11/90/132181190.db2.gz NYZXCSVHKPAFQL-UHFFFAOYSA-N 2 0 341.297 2.486 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000173895245 152205610 /nfs/dbraw/zinc/20/56/10/152205610.db2.gz IERACQKRLQIRRA-OTWHNJEPSA-N 2 0 348.535 2.400 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262828768 152323646 /nfs/dbraw/zinc/32/36/46/152323646.db2.gz QCPKRVIBLSYSEZ-OAHLLOKOSA-N 2 0 327.432 2.169 10 0 EEAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000263146680 152387453 /nfs/dbraw/zinc/38/74/53/152387453.db2.gz CUHMXQJZLBYSLY-QGZVFWFLSA-N 2 0 341.459 2.299 10 0 EEAERP C[NH+](C)C1(CNc2cncc(NCC3([NH+](C)C)CCC3)n2)CCC1 ZINC000342964095 152702642 /nfs/dbraw/zinc/70/26/42/152702642.db2.gz WBKSNVPSPKHFAT-UHFFFAOYSA-N 2 0 332.496 2.269 10 0 EEAERP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000105862414 159309582 /nfs/dbraw/zinc/30/95/82/159309582.db2.gz IXYBOABKZNNWFZ-IAGOWNOFSA-N 2 0 341.540 2.045 10 0 EEAERP CC(C)c1noc([C@@H](C)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000245420224 160233654 /nfs/dbraw/zinc/23/36/54/160233654.db2.gz HIJDKFMHLQQMBH-HZPDHXFCSA-N 2 0 335.496 2.356 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000245959304 160258842 /nfs/dbraw/zinc/25/88/42/160258842.db2.gz XVOFBQZEOFFMIA-ZHALLVOQSA-N 2 0 344.503 2.385 10 0 EEAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1C ZINC000346405874 161369770 /nfs/dbraw/zinc/36/97/70/161369770.db2.gz YHRUHEFXJASNET-JENIJYKNSA-N 2 0 346.519 2.283 10 0 EEAERP CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346520356 161378999 /nfs/dbraw/zinc/37/89/99/161378999.db2.gz BKQCUYHEPDYWQG-SJORKVTESA-N 2 0 339.549 2.383 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374439988 167043813 /nfs/dbraw/zinc/04/38/13/167043813.db2.gz WEHFQIRIYBDWOQ-SFHVURJKSA-N 2 0 345.487 2.231 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000375594646 167162920 /nfs/dbraw/zinc/16/29/20/167162920.db2.gz BIIUGRGBEBNLOT-HXUWFJFHSA-N 2 0 330.520 2.362 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@H]2CCC[C@@H]21 ZINC000376112473 167264046 /nfs/dbraw/zinc/26/40/46/167264046.db2.gz FURKNCIAULVVCU-SQNIBIBYSA-N 2 0 341.455 2.135 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000375898704 275058879 /nfs/dbraw/zinc/05/88/79/275058879.db2.gz WKJGIAHYUUPMPS-FUHWJXTLSA-N 2 0 326.444 2.144 10 0 EEAERP c1c2c(cc3c1OCCC[C@H]3[NH2+]CCN1CC[NH2+]CC1)CCCC2 ZINC000423201167 275063071 /nfs/dbraw/zinc/06/30/71/275063071.db2.gz HUZPBJXCEKPDBI-LJQANCHMSA-N 2 0 329.488 2.274 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000291721756 275333667 /nfs/dbraw/zinc/33/36/67/275333667.db2.gz RBAHLIQYFBFVFA-APWZRJJASA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1F ZINC000293037266 293108217 /nfs/dbraw/zinc/10/82/17/293108217.db2.gz PULWICJPQJNQKI-LJQANCHMSA-N 2 0 348.466 2.125 10 0 EEAERP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCC[C@H](C)C1 ZINC000297703369 294319085 /nfs/dbraw/zinc/31/90/85/294319085.db2.gz XPUCWSWRMIPSHV-GJZGRUSLSA-N 2 0 329.448 2.254 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)[NH+](C)C)cc1 ZINC000416850232 313335751 /nfs/dbraw/zinc/33/57/51/313335751.db2.gz ZFSKEEJHXIJBCK-QRVBRYPASA-N 2 0 344.503 2.245 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416888793 313350433 /nfs/dbraw/zinc/35/04/33/313350433.db2.gz HKJAKZWCISARBL-IBGZPJMESA-N 2 0 342.487 2.318 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417181576 313442659 /nfs/dbraw/zinc/44/26/59/313442659.db2.gz IDLSFHOJQGGTCL-RYQLBKOJSA-N 2 0 332.492 2.071 10 0 EEAERP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)([NH+](C)C)C1 ZINC000417208122 313449243 /nfs/dbraw/zinc/44/92/43/313449243.db2.gz ALMCVXWKTLLKRY-NZSAHSFTSA-N 2 0 336.524 2.282 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000417654868 313556730 /nfs/dbraw/zinc/55/67/30/313556730.db2.gz DEZYCUKYNDVLSZ-RHSMWYFYSA-N 2 0 336.455 2.204 10 0 EEAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417655699 313557068 /nfs/dbraw/zinc/55/70/68/313557068.db2.gz FOELXWKPEOYTSF-KRWDZBQOSA-N 2 0 338.471 2.402 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000418455980 313818635 /nfs/dbraw/zinc/81/86/35/313818635.db2.gz FKRUVMVBNUYXCM-KBXCAEBGSA-N 2 0 330.476 2.237 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000418709846 313886064 /nfs/dbraw/zinc/88/60/64/313886064.db2.gz VEQHOMINZBPFMJ-STQMWFEESA-N 2 0 326.872 2.149 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000441304875 315180101 /nfs/dbraw/zinc/18/01/01/315180101.db2.gz SPKZKPIKNIUXMS-DOTOQJQBSA-N 2 0 336.524 2.375 10 0 EEAERP CC(C)[C@@H](CC(F)(F)F)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526103724 317119813 /nfs/dbraw/zinc/11/98/13/317119813.db2.gz JWBLZRPJZFMFOU-CYBMUJFWSA-N 2 0 340.434 2.098 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527826787 317271535 /nfs/dbraw/zinc/27/15/35/317271535.db2.gz NREIHBQKLNSVJI-HTWSVDAQSA-N 2 0 336.524 2.423 10 0 EEAERP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(CO)ccc3F)CC2)CC1 ZINC000528445191 317388513 /nfs/dbraw/zinc/38/85/13/317388513.db2.gz JNBLOYRSUZCKQC-UHFFFAOYSA-N 2 0 349.494 2.168 10 0 EEAERP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000563593702 319027022 /nfs/dbraw/zinc/02/70/22/319027022.db2.gz NNWZPNLGRSICQG-HXUWFJFHSA-N 2 0 344.503 2.076 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000563946417 319058312 /nfs/dbraw/zinc/05/83/12/319058312.db2.gz ZTVRZUPKWYKJEF-KSZLIROESA-N 2 0 330.476 2.346 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000566444873 319288349 /nfs/dbraw/zinc/28/83/49/319288349.db2.gz UNNAZMFNSJZTLH-INIZCTEOSA-N 2 0 339.549 2.196 10 0 EEAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000567337118 319370585 /nfs/dbraw/zinc/37/05/85/319370585.db2.gz VTPFKGGMFCDGDD-FUHWJXTLSA-N 2 0 344.503 2.338 10 0 EEAERP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000569500892 319582851 /nfs/dbraw/zinc/58/28/51/319582851.db2.gz BRGGRYXSABNZQC-OAGGEKHMSA-N 2 0 333.476 2.390 10 0 EEAERP C[NH+](C)C1CC(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000570941023 319712255 /nfs/dbraw/zinc/71/22/55/319712255.db2.gz BXQDVOIHAQSRKO-UHFFFAOYSA-N 2 0 336.911 2.274 10 0 EEAERP O[C@@H](C[NH2+][C@H]1CCc2nc[nH]c2C1)COCc1ccccc1Cl ZINC000574806124 320058954 /nfs/dbraw/zinc/05/89/54/320058954.db2.gz VTKDPPPCFWETQP-KBPBESRZSA-N 2 0 335.835 2.088 10 0 EEAERP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000582237000 324409638 /nfs/dbraw/zinc/40/96/38/324409638.db2.gz XVKOPQCTGXYIQG-NRDMVMEKSA-N 2 0 345.531 2.157 10 0 EEAERP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000584043086 324784462 /nfs/dbraw/zinc/78/44/62/324784462.db2.gz XGJHQLYCAIDMIJ-PKOBYXMFSA-N 2 0 341.430 2.408 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000355070182 465221474 /nfs/dbraw/zinc/22/14/74/465221474.db2.gz CQTMCTHODGYNPJ-SFHVURJKSA-N 2 0 348.466 2.380 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358629951 465231841 /nfs/dbraw/zinc/23/18/41/465231841.db2.gz AJJMGOXNLDOFNB-UHFFFAOYSA-N 2 0 336.524 2.402 10 0 EEAERP CC1=CC[NH+](CCNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000358659953 465248233 /nfs/dbraw/zinc/24/82/33/465248233.db2.gz FWBOFRKFROJXQC-SFHVURJKSA-N 2 0 334.508 2.012 10 0 EEAERP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000152609007 462555981 /nfs/dbraw/zinc/55/59/81/462555981.db2.gz SCOFKUYRIDKIEP-SFHVURJKSA-N 2 0 329.488 2.093 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(CNc3nc(C)ncc3C)cc2)CC1 ZINC000579127954 468315506 /nfs/dbraw/zinc/31/55/06/468315506.db2.gz KYOLLPHCCISPMH-UHFFFAOYSA-N 2 0 339.487 2.843 10 0 EEAERP CN1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129776684 462724392 /nfs/dbraw/zinc/72/43/92/462724392.db2.gz GOXJSQVBUZMGAZ-ZBFHGGJFSA-N 2 0 336.798 2.237 10 0 EEAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CCN3CCCc4ccccc43)CC2)C1 ZINC000090554350 462797783 /nfs/dbraw/zinc/79/77/83/462797783.db2.gz VXGOTIQTGAWZIR-FQEVSTJZSA-N 2 0 342.531 2.151 10 0 EEAERP [NH3+]CCCCCC[NH+](CCCCCC[NH3+])[C@H]1CSCCC1=O ZINC000013799499 462903949 /nfs/dbraw/zinc/90/39/49/462903949.db2.gz HIUWIBPKSJERJX-INIZCTEOSA-N 3 0 329.554 2.401 10 0 EEAERP CN(C)c1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119692956 462924384 /nfs/dbraw/zinc/92/43/84/462924384.db2.gz HLQYBJCPLOQEFC-YOFSQIOKSA-N 2 0 342.531 2.495 10 0 EEAERP CC[N@H+](CC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)C1CC1 ZINC000151304578 463510143 /nfs/dbraw/zinc/51/01/43/463510143.db2.gz JKKCCKZRENAHSB-UHFFFAOYSA-N 2 0 330.476 2.251 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000170827076 463714608 /nfs/dbraw/zinc/71/46/08/463714608.db2.gz RVNCUTDLWHYQSY-SFHVURJKSA-N 2 0 330.476 2.128 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000194136827 463797480 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CCOC(=O)c1csc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000261867560 463882186 /nfs/dbraw/zinc/88/21/86/463882186.db2.gz UYMYONGDRXQKJH-ZDUSSCGKSA-N 2 0 337.489 2.499 10 0 EEAERP C[NH2+]CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000261982218 463917053 /nfs/dbraw/zinc/91/70/53/463917053.db2.gz INFKFJCNHNPDGK-AWEZNQCLSA-N 2 0 335.414 2.109 10 0 EEAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000263917101 464238202 /nfs/dbraw/zinc/23/82/02/464238202.db2.gz NDYWUKULDWRREM-IBGZPJMESA-N 2 0 329.488 2.451 10 0 EEAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000292541201 464266981 /nfs/dbraw/zinc/26/69/81/464266981.db2.gz QEJRFIJUMUJNSP-KBAYOESNSA-N 2 0 332.492 2.460 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000173852060 464322282 /nfs/dbraw/zinc/32/22/82/464322282.db2.gz JANZPXLQEUHDRE-KURKYZTESA-N 2 0 334.508 2.010 10 0 EEAERP C[C@H](c1nc(C2CC2)no1)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000174885800 464462766 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10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000417951511 466999649 /nfs/dbraw/zinc/99/96/49/466999649.db2.gz WZPZVBHLSSCPCJ-ZWKOTPCHSA-N 2 0 342.487 2.217 10 0 EEAERP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291378 467023509 /nfs/dbraw/zinc/02/35/09/467023509.db2.gz NTABCXQVKVANJJ-KGLIPLIRSA-N 2 0 347.425 2.251 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418611241 467135741 /nfs/dbraw/zinc/13/57/41/467135741.db2.gz HCHKQKVVJSAQGL-ZHALLVOQSA-N 2 0 344.503 2.290 10 0 EEAERP Cc1nn(C)cc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397512159 467441804 /nfs/dbraw/zinc/44/18/04/467441804.db2.gz NTWCZIHTWXRDJP-INIZCTEOSA-N 2 0 342.487 2.406 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398087026 467446814 /nfs/dbraw/zinc/44/68/14/467446814.db2.gz UPXIWPXLUDAGKC-NZSAHSFTSA-N 2 0 329.488 2.403 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000415006876 467466584 /nfs/dbraw/zinc/46/65/84/467466584.db2.gz CBAHEBSNJRZYQN-GMTAPVOTSA-N 2 0 328.254 2.492 10 0 EEAERP COc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c2nccn2C)cc1 ZINC000415119104 467493711 /nfs/dbraw/zinc/49/37/11/467493711.db2.gz WWEWXGYZUBDEII-DAYGRLMNSA-N 2 0 328.460 2.496 10 0 EEAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCn2ccnn2)CC1 ZINC000449239127 467625477 /nfs/dbraw/zinc/62/54/77/467625477.db2.gz IDJOXVBJHUHZSN-QGZVFWFLSA-N 2 0 327.476 2.353 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000449361567 467633492 /nfs/dbraw/zinc/63/34/92/467633492.db2.gz KZTGYNCESHUTKN-LJQANCHMSA-N 2 0 340.402 2.408 10 0 EEAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529283769 467839640 /nfs/dbraw/zinc/83/96/40/467839640.db2.gz ROMSOHNRVWGBQI-HOCLYGCPSA-N 2 0 332.448 2.000 10 0 EEAERP C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000529322004 467845734 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C[NH+](C)C[C@](C)(O)CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851994 468224014 /nfs/dbraw/zinc/22/40/14/468224014.db2.gz FBHOBPYZBYOKQD-RBUKOAKNSA-N 2 0 331.504 2.086 10 0 EEAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000571315256 468770928 /nfs/dbraw/zinc/77/09/28/468770928.db2.gz DPTPSKXEVZYAES-KBWCOIMZSA-N 2 0 345.531 2.085 10 0 EEAERP CC[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000561125641 468865731 /nfs/dbraw/zinc/86/57/31/468865731.db2.gz NSYCUKQAURAWGM-LZQZEXGQSA-N 2 0 344.503 2.121 10 0 EEAERP COCC[NH2+]C1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000584473677 468881331 /nfs/dbraw/zinc/88/13/31/468881331.db2.gz KQQVFRMFHZINOZ-UHFFFAOYSA-N 2 0 349.866 2.121 10 0 EEAERP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000615652813 469293090 /nfs/dbraw/zinc/29/30/90/469293090.db2.gz YHSZLGCEVRVRFK-NEWSRXKRSA-N 2 0 346.471 2.401 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+][C@H]3C)c(C)c2)CC1 ZINC000625834022 469403521 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0 EEAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCOCCC[NH3+] ZINC000629535376 469574189 /nfs/dbraw/zinc/57/41/89/469574189.db2.gz CERGKIMVALPRSG-LLVKDONJSA-N 2 0 333.245 2.474 10 0 EEAERP CCC[N@@H+]1CC[C@H](NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000619900051 469707003 /nfs/dbraw/zinc/70/70/03/469707003.db2.gz RLBWALOZHJPAGS-KRWDZBQOSA-N 2 0 330.476 2.207 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000626917644 469753978 /nfs/dbraw/zinc/75/39/78/469753978.db2.gz DQOPOOWSSPPRKM-QAPCUYQASA-N 2 0 330.476 2.091 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626925273 469756663 /nfs/dbraw/zinc/75/66/63/469756663.db2.gz JTDLBYNVLVZUEG-MAUKXSAKSA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC000626949454 469767053 /nfs/dbraw/zinc/76/70/53/469767053.db2.gz MOFYKDQDLYXRTL-VQIMIIECSA-N 2 0 344.503 2.338 10 0 EEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626979729 469775841 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GYVGAXZPSXFRRC-ZWKOTPCHSA-N 2 0 342.443 2.462 10 0 EEAERP Cn1nc2c(c1C[NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCCC2 ZINC000631172771 470086350 /nfs/dbraw/zinc/08/63/50/470086350.db2.gz RLUUYRMOOBWBPV-UHFFFAOYSA-N 2 0 346.519 2.280 10 0 EEAERP [NH3+]C1(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638851541 470304611 /nfs/dbraw/zinc/30/46/11/470304611.db2.gz OADDCBQDIXHUSZ-SFHVURJKSA-N 2 0 345.487 2.055 10 0 EEAERP CCO[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000650714514 470949239 /nfs/dbraw/zinc/94/92/39/470949239.db2.gz KCFMIRCVERQPOA-YLJYHZDGSA-N 2 0 341.455 2.456 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000644577867 470986192 /nfs/dbraw/zinc/98/61/92/470986192.db2.gz NCHAHOOYJBFXEA-RAFMOHDBSA-N 2 0 331.504 2.084 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804099 470988689 /nfs/dbraw/zinc/98/86/89/470988689.db2.gz IUMMKFKUYRJFHK-CFVMTHIKSA-N 2 0 343.393 2.080 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000654565108 471072911 /nfs/dbraw/zinc/07/29/11/471072911.db2.gz HUKHGUNXARYPHE-KANFNMMFSA-N 2 0 344.503 2.289 10 0 EEAERP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657308534 471093650 /nfs/dbraw/zinc/09/36/50/471093650.db2.gz UQOQLFGZTYQHRP-UHFFFAOYSA-N 2 0 333.524 2.195 10 0 EEAERP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CO1 ZINC000657363689 471114245 /nfs/dbraw/zinc/11/42/45/471114245.db2.gz AVFNCJHRONDNFK-MOPGFXCFSA-N 2 0 345.487 2.169 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496934 471152855 /nfs/dbraw/zinc/15/28/55/471152855.db2.gz TZZJERIODZRIDI-RTBURBONSA-N 2 0 345.487 2.041 10 0 EEAERP [NH3+]CC1(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000652118555 471238322 /nfs/dbraw/zinc/23/83/22/471238322.db2.gz LAIWGVZCVIKAMF-HNNXBMFYSA-N 2 0 334.464 2.235 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH3+])cc2F)[C@H](C)C1 ZINC000652276386 471265604 /nfs/dbraw/zinc/26/56/04/471265604.db2.gz UBCQUVCNUWQYKP-DYVFJYSZSA-N 2 0 336.455 2.156 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652288068 471267020 /nfs/dbraw/zinc/26/70/20/471267020.db2.gz SBNKTEKEBOOLCA-QZTJIDSGSA-N 2 0 330.476 2.032 10 0 EEAERP CN1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1=O ZINC000658242872 471279396 /nfs/dbraw/zinc/27/93/96/471279396.db2.gz LYRHEHDIDAEWJL-MVCQKVDPSA-N 2 0 327.472 2.250 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243310 471290214 /nfs/dbraw/zinc/29/02/14/471290214.db2.gz WMHHGZHHBRBILT-BDXSIMOUSA-N 2 0 339.524 2.111 10 0 EEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC/C=C/C[NH3+])cc1 ZINC000669115339 471384518 /nfs/dbraw/zinc/38/45/18/471384518.db2.gz PDZBBFPUXYSGPY-CWDCEQMOSA-N 2 0 330.476 2.375 10 0 EEAERP CC[NH2+]Cc1cccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000659020068 471469333 /nfs/dbraw/zinc/46/93/33/471469333.db2.gz UCTNGHMYJVIQHQ-SFHVURJKSA-N 2 0 348.491 2.371 10 0 EEAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413827 471484577 /nfs/dbraw/zinc/48/45/77/471484577.db2.gz BPYMKBOYHWJYIR-QFBILLFUSA-N 2 0 344.503 2.196 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660801103 471492028 /nfs/dbraw/zinc/49/20/28/471492028.db2.gz ODJLUIUGDSPXIH-VQIMIIECSA-N 2 0 344.503 2.100 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660801000 471492319 /nfs/dbraw/zinc/49/23/19/471492319.db2.gz ODJLUIUGDSPXIH-APWZRJJASA-N 2 0 344.503 2.100 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CCCC2)CC1 ZINC000653118275 471497404 /nfs/dbraw/zinc/49/74/04/471497404.db2.gz HMMVHHAJQWNIFQ-MSOLQXFVSA-N 2 0 349.519 2.057 10 0 EEAERP CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCc2cccnc21 ZINC000666705265 471500982 /nfs/dbraw/zinc/50/09/82/471500982.db2.gz WAHMLAVCPHUSKS-AEFFLSMTSA-N 2 0 344.503 2.368 10 0 EEAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659436215 471626562 /nfs/dbraw/zinc/62/65/62/471626562.db2.gz ISOPAAVWLVVRQM-INDMIFKZSA-N 2 0 342.487 2.058 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659622668 471701675 /nfs/dbraw/zinc/70/16/75/471701675.db2.gz UGJGACYSWLVNRA-QZTJIDSGSA-N 2 0 332.492 2.276 10 0 EEAERP COCC[N@H+](C)CCCC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000660157151 471884793 /nfs/dbraw/zinc/88/47/93/471884793.db2.gz IZCVQAXBXALEJL-UHFFFAOYSA-N 2 0 344.565 2.315 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667789522 471904973 /nfs/dbraw/zinc/90/49/73/471904973.db2.gz QQISDMMJKYXQSQ-SFTDATJTSA-N 2 0 343.515 2.481 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654396721 471942295 /nfs/dbraw/zinc/94/22/95/471942295.db2.gz LBHPFRVACJOUMX-PBWTXFEYSA-N 2 0 344.503 2.461 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccnc1N(C)C ZINC000660338900 471949490 /nfs/dbraw/zinc/94/94/90/471949490.db2.gz FRKJDBZGCOSPEP-HNNXBMFYSA-N 2 0 333.480 2.067 10 0 EEAERP [NH3+][C@H]1CCC[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)C1 ZINC000665272746 471987329 /nfs/dbraw/zinc/98/73/29/471987329.db2.gz JZFQAEGSWUHGMB-ROUUACIJSA-N 2 0 328.504 2.201 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000665285775 471990061 /nfs/dbraw/zinc/99/00/61/471990061.db2.gz WTELTESPDNHFNF-GOSISDBHSA-N 2 0 333.451 2.393 10 0 EEAERP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249310 472041450 /nfs/dbraw/zinc/04/14/50/472041450.db2.gz SUYGPUKBMRAVCC-RDJZCZTQSA-N 2 0 332.444 2.362 10 0 EEAERP CC[NH+](CC)CCN(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662261439 472047542 /nfs/dbraw/zinc/04/75/42/472047542.db2.gz YKLHYQXZMCWNSZ-IBGZPJMESA-N 2 0 331.504 2.351 10 0 EEAERP CN1CCN(c2ncc(C[N@H+](CCC3CC3)CC3CC3)cn2)CC1 ZINC000668747745 472250842 /nfs/dbraw/zinc/25/08/42/472250842.db2.gz KGWIAPQSTJPDKF-UHFFFAOYSA-N 2 0 329.492 2.241 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000668784410 472267043 /nfs/dbraw/zinc/26/70/43/472267043.db2.gz FTMPDMIKHZMEMJ-HXUWFJFHSA-N 2 0 349.519 2.170 10 0 EEAERP C[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000662864443 472282118 /nfs/dbraw/zinc/28/21/18/472282118.db2.gz CVOXXFOWDQHDGE-KFKAGJAMSA-N 2 0 329.488 2.274 10 0 EEAERP Cc1ncc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000679086549 485584779 /nfs/dbraw/zinc/58/47/79/485584779.db2.gz LLBNINOBUGHRBH-OCCSQVGLSA-N 2 0 326.510 2.195 10 0 EEAERP CC(C)[NH+]1CCC(N[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000680636794 486028117 /nfs/dbraw/zinc/02/81/17/486028117.db2.gz SGCDFNSYWLVKDZ-OAQYLSRUSA-N 2 0 345.531 2.476 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)CC1 ZINC000684926781 486039436 /nfs/dbraw/zinc/03/94/36/486039436.db2.gz ICVDOPKSRRKFFH-MANSERQUSA-N 2 0 335.536 2.340 10 0 EEAERP C[C@@H]1C[C@H](Nc2nccnc2N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000680958762 486098428 /nfs/dbraw/zinc/09/84/28/486098428.db2.gz JLSORZRDTPSPQP-QKPAOTATSA-N 2 0 332.496 2.266 10 0 EEAERP C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000173946551 533891906 /nfs/dbraw/zinc/89/19/06/533891906.db2.gz BUVWIGCAHCUHHW-CRAIPNDOSA-N 2 0 332.492 2.372 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174120686 528966318 /nfs/dbraw/zinc/96/63/18/528966318.db2.gz DGBYASLJXDYQEY-IBGZPJMESA-N 2 0 331.504 2.398 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931410 536594810 /nfs/dbraw/zinc/59/48/10/536594810.db2.gz BPPKLGIXHANICN-GFCCVEGCSA-N 2 0 333.245 2.474 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000758273465 577620645 /nfs/dbraw/zinc/62/06/45/577620645.db2.gz NLYFUBGGTFNYJR-FGTMMUONSA-N 2 0 346.544 2.380 10 0 EEAERP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C(=O)NCC[NH+](C)C ZINC000925955123 674847777 /nfs/dbraw/zinc/84/77/77/674847777.db2.gz SUGGQGMKWVRDOD-UYTSQGDYSA-N 2 0 327.538 2.095 10 0 EEAERP CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)o1 ZINC000892171514 678198357 /nfs/dbraw/zinc/19/83/57/678198357.db2.gz NXZLVHDAAQFLIB-KRWDZBQOSA-N 2 0 348.491 2.002 10 0 EEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000066635221 681761773 /nfs/dbraw/zinc/76/17/73/681761773.db2.gz PZPLXPJWHOCMNC-IBGZPJMESA-N 2 0 329.488 2.246 10 0 EEAERP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c2c1OC(F)(F)O2 ZINC000894541121 682962058 /nfs/dbraw/zinc/96/20/58/682962058.db2.gz OUWVFRXVUFEGAH-RISCZKNCSA-N 2 0 342.386 2.320 10 0 EEAERP CC1(C)C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[C@@H]([NH3+])C1 ZINC000925678554 684831184 /nfs/dbraw/zinc/83/11/84/684831184.db2.gz FVUTZQOXVVSEDN-OLZOCXBDSA-N 2 0 342.281 2.106 10 0 EEAERP C[NH+](C)C[C@@H](N[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000925716134 686341583 /nfs/dbraw/zinc/34/15/83/686341583.db2.gz BJQPADYLFRMXOW-IUODEOHRSA-N 2 0 332.275 2.174 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[N@@H+]1C ZINC000925324587 692205018 /nfs/dbraw/zinc/20/50/18/692205018.db2.gz VRECROVXZIXYOD-KURKYZTESA-N 2 0 336.524 2.377 10 0 EEAERP C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926956154 693040256 /nfs/dbraw/zinc/04/02/56/693040256.db2.gz UASGLYJDRGYVOW-CQSZACIVSA-N 2 0 326.506 2.470 10 0 EEAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000905296038 694589859 /nfs/dbraw/zinc/58/98/59/694589859.db2.gz MBUCPBVRKHCZCR-UONOGXRCSA-N 2 0 344.381 2.492 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000899179981 693649288 /nfs/dbraw/zinc/64/92/88/693649288.db2.gz RNTIQXDSVFIGON-IBGZPJMESA-N 2 0 349.519 2.011 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001485537620 1191827488 /nfs/dbraw/zinc/82/74/88/1191827488.db2.gz QFZSJNRHTOOANB-AUUYWEPGSA-N 2 0 345.462 2.345 10 0 EEAERP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001485576944 1191844625 /nfs/dbraw/zinc/84/46/25/1191844625.db2.gz GHGDNFGQCMUZCG-IAGOWNOFSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1conc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001485655277 1191873862 /nfs/dbraw/zinc/87/38/62/1191873862.db2.gz FLXDHHMYQIOMTP-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641103 1191876006 /nfs/dbraw/zinc/87/60/06/1191876006.db2.gz OPDTZPNKYRJPST-ZLKFPQNLSA-N 2 0 349.519 2.177 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC001485765639 1191939801 /nfs/dbraw/zinc/93/98/01/1191939801.db2.gz MTDIOSLZLIQISJ-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001266442539 1176542644 /nfs/dbraw/zinc/54/26/44/1176542644.db2.gz YUOKCPPIIQZGIA-VQTJNVASSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)OCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1ccnc1 ZINC001266496545 1176642652 /nfs/dbraw/zinc/64/26/52/1176642652.db2.gz QMQNLOSIEGMDTQ-OKZBNKHCSA-N 2 0 348.491 2.325 10 0 EEAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001266626763 1177022459 /nfs/dbraw/zinc/02/24/59/1177022459.db2.gz VYFHVTGWJADDTL-XLAORIBOSA-N 2 0 337.508 2.055 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001266825927 1177498675 /nfs/dbraw/zinc/49/86/75/1177498675.db2.gz LSGASGLSBHEKIK-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266877853 1177687416 /nfs/dbraw/zinc/68/74/16/1177687416.db2.gz MSQMWVLMVXLVJP-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H](C[NH2+]CCF)C1 ZINC001691370259 1177978631 /nfs/dbraw/zinc/97/86/31/1177978631.db2.gz JRHGZULETSGUCY-MJGOQNOKSA-N 2 0 349.494 2.347 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001267040890 1178135834 /nfs/dbraw/zinc/13/58/34/1178135834.db2.gz IALVKGTWURPMFM-MJGOQNOKSA-N 2 0 333.520 2.347 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCCF)C1 ZINC001691439447 1178584656 /nfs/dbraw/zinc/58/46/56/1178584656.db2.gz ZBWQXPKJZYNWRL-XSLAGTTESA-N 2 0 339.499 2.247 10 0 EEAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)OC ZINC001691444025 1178823258 /nfs/dbraw/zinc/82/32/58/1178823258.db2.gz HXKBCUPXUGCKPV-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc(CN(C)CCNC(=O)CN(C)Cc2ccccc2)sn1 ZINC001480953493 1179149516 /nfs/dbraw/zinc/14/95/16/1179149516.db2.gz QFGPNYWOLBOGNX-UHFFFAOYSA-N 2 0 346.500 2.132 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267978632 1180910409 /nfs/dbraw/zinc/91/04/09/1180910409.db2.gz DGGDZZJAHCSHPS-YJBOKZPZSA-N 2 0 347.503 2.118 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1C[NH+](CCC2=CCCCC2)CCO1)C1CCC1 ZINC001268025554 1181057762 /nfs/dbraw/zinc/05/77/62/1181057762.db2.gz QSLLFICAAUEUBG-IBGZPJMESA-N 2 0 349.519 2.178 10 0 EEAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001481412583 1181256166 /nfs/dbraw/zinc/25/61/66/1181256166.db2.gz ZMLQZCXXPYTQJW-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCc3cccs3)C2)C1 ZINC001481497089 1181566405 /nfs/dbraw/zinc/56/64/05/1181566405.db2.gz HWWXPTYIZFXNBN-DLBZAZTESA-N 2 0 349.544 2.413 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2cncs2)C1 ZINC001481503585 1181584361 /nfs/dbraw/zinc/58/43/61/1181584361.db2.gz IDLZPFGOSMYGDE-OAHLLOKOSA-N 2 0 338.521 2.155 10 0 EEAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481529268 1181655795 /nfs/dbraw/zinc/65/57/95/1181655795.db2.gz GODHNIUWBARTTK-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268161730 1181876456 /nfs/dbraw/zinc/87/64/56/1181876456.db2.gz GBXJTBAHVBHGEW-BZSNNMDCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001268425678 1182593483 /nfs/dbraw/zinc/59/34/83/1182593483.db2.gz GWLAYKNHJOIEGU-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC001481768423 1182652972 /nfs/dbraw/zinc/65/29/72/1182652972.db2.gz NSRVZRJVRFXXPQ-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(OC)c1C ZINC001481824346 1182744186 /nfs/dbraw/zinc/74/41/86/1182744186.db2.gz SZDXGPINLYFRLY-QZTJIDSGSA-N 2 0 347.503 2.472 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268477731 1182904044 /nfs/dbraw/zinc/90/40/44/1182904044.db2.gz VDFXCYPBFLDFJS-MRXNPFEDSA-N 2 0 340.899 2.259 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001481930592 1182977265 /nfs/dbraw/zinc/97/72/65/1182977265.db2.gz HYPYFLCTPKTMBW-NSHGMRRFSA-N 2 0 344.503 2.186 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268491831 1182989126 /nfs/dbraw/zinc/98/91/26/1182989126.db2.gz RWQFHPRHBWIJQQ-GOSISDBHSA-N 2 0 343.515 2.455 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001481984570 1183086853 /nfs/dbraw/zinc/08/68/53/1183086853.db2.gz RCFKSTHXXNJBOI-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001482052020 1183248037 /nfs/dbraw/zinc/24/80/37/1183248037.db2.gz XOWDUZBMIXFVHA-UHFFFAOYSA-N 2 0 343.462 2.346 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001482100553 1183329494 /nfs/dbraw/zinc/32/94/94/1183329494.db2.gz FWGMJFBFAQVBPY-LPHOPBHVSA-N 2 0 329.488 2.179 10 0 EEAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001268587289 1183384474 /nfs/dbraw/zinc/38/44/74/1183384474.db2.gz IEIRKIBVTIZSOK-JBZXTQMFSA-N 2 0 331.451 2.270 10 0 EEAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1 ZINC001482149570 1183467796 /nfs/dbraw/zinc/46/77/96/1183467796.db2.gz SHCBKLIYWXRCEV-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001482172245 1183498408 /nfs/dbraw/zinc/49/84/08/1183498408.db2.gz PWGAPHACRWPOGT-CQSZACIVSA-N 2 0 338.521 2.169 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268674263 1183600925 /nfs/dbraw/zinc/60/09/25/1183600925.db2.gz OBPFBFJBUNPDAX-GDBMZVCRSA-N 2 0 337.895 2.319 10 0 EEAERP Cc1cccc(CCC[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001268782852 1183701064 /nfs/dbraw/zinc/70/10/64/1183701064.db2.gz FSWVVIHMLKJUBV-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP O=C(NCC1([NH2+]CCOCC2CC2)CCCC1)C12CCC[NH+]1CCC2 ZINC001482223865 1184319850 /nfs/dbraw/zinc/31/98/50/1184319850.db2.gz NEJQUWYQANUJBY-UHFFFAOYSA-N 2 0 349.519 2.060 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269712330 1184544368 /nfs/dbraw/zinc/54/43/68/1184544368.db2.gz PBBQJDFGDRSBRJ-CRAIPNDOSA-N 2 0 348.491 2.050 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269759497 1184596430 /nfs/dbraw/zinc/59/64/30/1184596430.db2.gz CHKAJPDMYWBPRQ-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001269766303 1184603395 /nfs/dbraw/zinc/60/33/95/1184603395.db2.gz VFTYXGWOGMSPHL-HNNXBMFYSA-N 2 0 338.521 2.122 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001269797854 1184626468 /nfs/dbraw/zinc/62/64/68/1184626468.db2.gz DFBZVYIGIZYYOG-KRWDZBQOSA-N 2 0 348.491 2.106 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2conc2C)CC1)[NH+](C)C ZINC001269877893 1184688809 /nfs/dbraw/zinc/68/88/09/1184688809.db2.gz VQHSYGKQJAJRMA-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC(CC[NH2+]Cc3ccon3)CC2)CC1 ZINC001269920050 1184718377 /nfs/dbraw/zinc/71/83/77/1184718377.db2.gz KNAAMAYAFVYRSM-UHFFFAOYSA-N 2 0 348.491 2.125 10 0 EEAERP CCOCCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001270237843 1184948694 /nfs/dbraw/zinc/94/86/94/1184948694.db2.gz XEIHHCWBFXFODX-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001270434591 1185097049 /nfs/dbraw/zinc/09/70/49/1185097049.db2.gz ZERRNMPFFHPJGQ-RYQLBKOJSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001270648954 1185264218 /nfs/dbraw/zinc/26/42/18/1185264218.db2.gz KRHGKMNSCMXYGA-LPHOPBHVSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001482331737 1185417421 /nfs/dbraw/zinc/41/74/21/1185417421.db2.gz UBSOUTJPMGVBAN-OCCSQVGLSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC001482346424 1185467843 /nfs/dbraw/zinc/46/78/43/1185467843.db2.gz AVSLNJFNDKYYQS-KRWDZBQOSA-N 2 0 347.503 2.042 10 0 EEAERP CCOC(=O)COCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383351425 1185499211 /nfs/dbraw/zinc/49/92/11/1185499211.db2.gz WNSCWFDTZMLJHR-SFHVURJKSA-N 2 0 334.460 2.020 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482368180 1185528958 /nfs/dbraw/zinc/52/89/58/1185528958.db2.gz NWWOGLMVZVKELE-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC3(C[NH+](CCCCCF)C3)CC2)C1 ZINC001270863647 1185529032 /nfs/dbraw/zinc/52/90/32/1185529032.db2.gz IQHGDUXCQGAZBX-KRWDZBQOSA-N 2 0 339.499 2.392 10 0 EEAERP Cc1ncc(C[NH2+]CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC001691516595 1185618776 /nfs/dbraw/zinc/61/87/76/1185618776.db2.gz KDLFIRUNQHRTBG-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001482448320 1185796120 /nfs/dbraw/zinc/79/61/20/1185796120.db2.gz IIYXEAYKMAHJPA-AGKMQYPQSA-N 2 0 327.900 2.440 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001482461341 1185926771 /nfs/dbraw/zinc/92/67/71/1185926771.db2.gz HNBFNISOUGEPFV-HNNXBMFYSA-N 2 0 338.521 2.346 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001271601177 1186332389 /nfs/dbraw/zinc/33/23/89/1186332389.db2.gz WMZOGGNAMMNAGP-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccns1 ZINC001271699751 1186381888 /nfs/dbraw/zinc/38/18/88/1186381888.db2.gz NBAXOEHOQNGGPR-CABCVRRESA-N 2 0 338.521 2.059 10 0 EEAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCCCF ZINC001482501695 1186412430 /nfs/dbraw/zinc/41/24/30/1186412430.db2.gz SDJQMJNMKSWVTO-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)C23CC[NH+](CC2)C3)C(C)C)cs1 ZINC001482564449 1186845822 /nfs/dbraw/zinc/84/58/22/1186845822.db2.gz DBNSGBWSHYVGKM-MRXNPFEDSA-N 2 0 335.517 2.383 10 0 EEAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCc1cccs1 ZINC001482566692 1186860731 /nfs/dbraw/zinc/86/07/31/1186860731.db2.gz ZLHCGORRYSYNKO-MRXNPFEDSA-N 2 0 335.517 2.117 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1 ZINC001482570066 1186904339 /nfs/dbraw/zinc/90/43/39/1186904339.db2.gz JXWZITNPGKOFTP-RTBURBONSA-N 2 0 331.504 2.301 10 0 EEAERP C[C@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001482617705 1187426833 /nfs/dbraw/zinc/42/68/33/1187426833.db2.gz PJPBXSGPCYWLQT-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483047743 1188262567 /nfs/dbraw/zinc/26/25/67/1188262567.db2.gz NATSTYYMYIIUJJ-FQQSSWHASA-N 2 0 329.488 2.495 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001483092924 1188461057 /nfs/dbraw/zinc/46/10/57/1188461057.db2.gz LAWFOCRATUUSAS-HSWBROFVSA-N 2 0 339.842 2.193 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001272824098 1193563406 /nfs/dbraw/zinc/56/34/06/1193563406.db2.gz UTLNVUJHNBHJER-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001409385148 1189606106 /nfs/dbraw/zinc/60/61/06/1189606106.db2.gz KKVIKLXFSNNRAI-HUUCEWRRSA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001485881527 1193628245 /nfs/dbraw/zinc/62/82/45/1193628245.db2.gz HUNAIHFZOQLKQV-KBPBESRZSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)[NH+](C)C ZINC001485892366 1193631766 /nfs/dbraw/zinc/63/17/66/1193631766.db2.gz PBIJSSBHYANEKW-TZMCWYRMSA-N 2 0 326.872 2.012 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409465317 1189756783 /nfs/dbraw/zinc/75/67/83/1189756783.db2.gz JZGRWGIHEHCZGC-OLZOCXBDSA-N 2 0 327.419 2.288 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC(F)(F)C1 ZINC001409582167 1190069023 /nfs/dbraw/zinc/06/90/23/1190069023.db2.gz WPDKVCAXIWSFCM-UKRRQHHQSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001409668466 1190167898 /nfs/dbraw/zinc/16/78/98/1190167898.db2.gz UWLNPDHTGVRLRN-GJZGRUSLSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483247664 1190275324 /nfs/dbraw/zinc/27/53/24/1190275324.db2.gz RUURLEGFLHZAOR-AWEZNQCLSA-N 2 0 341.459 2.411 10 0 EEAERP C[C@@H](C[NH2+]CCCC1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272284 1190296424 /nfs/dbraw/zinc/29/64/24/1190296424.db2.gz RHMUDEHPMLBIOZ-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1nc(C)c(CN(C)C[C@@H](C)NC(=O)C[C@H](C)n2ccnc2)o1 ZINC001483392504 1190436600 /nfs/dbraw/zinc/43/66/00/1190436600.db2.gz ZHHYCLLRISYVBA-OLZOCXBDSA-N 2 0 333.436 2.076 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1c(F)cccc1F)[NH+](C)C ZINC001483470303 1190493057 /nfs/dbraw/zinc/49/30/57/1190493057.db2.gz BXPCTSJBVGACHA-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001483486974 1190506448 /nfs/dbraw/zinc/50/64/48/1190506448.db2.gz QMAAUPWAZBJKFY-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483503431 1190516766 /nfs/dbraw/zinc/51/67/66/1190516766.db2.gz YOCCFILNXDXERV-MRXNPFEDSA-N 2 0 335.467 2.414 10 0 EEAERP CN(CCC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483510063 1190524583 /nfs/dbraw/zinc/52/45/83/1190524583.db2.gz VVNQDACOIVBWRY-INIZCTEOSA-N 2 0 329.444 2.323 10 0 EEAERP Cc1cncn1CC(=O)N[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)C1CC1 ZINC001483575870 1190565066 /nfs/dbraw/zinc/56/50/66/1190565066.db2.gz VVIBRTVEIVFODP-IBGZPJMESA-N 2 0 340.471 2.493 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)n1 ZINC001486120807 1193687612 /nfs/dbraw/zinc/68/76/12/1193687612.db2.gz FHDKBLNNKAYUCZ-NVXWUHKLSA-N 2 0 332.492 2.236 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC001483680368 1190741282 /nfs/dbraw/zinc/74/12/82/1190741282.db2.gz AITMDOGBIDHMQD-QFBILLFUSA-N 2 0 329.488 2.336 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001272456337 1190830863 /nfs/dbraw/zinc/83/08/63/1190830863.db2.gz FFXJIRYNMARGQE-MRXNPFEDSA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740940 1190890358 /nfs/dbraw/zinc/89/03/58/1190890358.db2.gz XKCZLENTNKVANL-ZBFHGGJFSA-N 2 0 325.472 2.380 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)no1 ZINC001272598220 1190913340 /nfs/dbraw/zinc/91/33/40/1190913340.db2.gz BIJIZTGHTFIPAW-KRWDZBQOSA-N 2 0 348.491 2.043 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH+](CCCOC)C1 ZINC001483800751 1191042439 /nfs/dbraw/zinc/04/24/39/1191042439.db2.gz BONVSDDOKFANOH-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001483849288 1191084969 /nfs/dbraw/zinc/08/49/69/1191084969.db2.gz ZTTUFPXVLFPTBU-KRWDZBQOSA-N 2 0 343.462 2.296 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483959590 1191128638 /nfs/dbraw/zinc/12/86/38/1191128638.db2.gz YWLIGLNDRSUWCX-FUHWJXTLSA-N 2 0 337.508 2.011 10 0 EEAERP COCc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001484070257 1191190606 /nfs/dbraw/zinc/19/06/06/1191190606.db2.gz FYJIRPIBMKJALU-HXUWFJFHSA-N 2 0 345.487 2.009 10 0 EEAERP COCc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001484071185 1191191221 /nfs/dbraw/zinc/19/12/21/1191191221.db2.gz MZBUVWPRZVFYFQ-FQEVSTJZSA-N 2 0 347.503 2.254 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+]CCC2CC2)CCOCC1)CC(C)(C)C ZINC001484188270 1191265109 /nfs/dbraw/zinc/26/51/09/1191265109.db2.gz RQWQYNRKRKFGLT-UHFFFAOYSA-N 2 0 339.524 2.019 10 0 EEAERP O=C(N1CC[C@@H](CC[NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001484547444 1191408768 /nfs/dbraw/zinc/40/87/68/1191408768.db2.gz QJNYCAYJCTVRAO-MRXNPFEDSA-N 2 0 325.472 2.050 10 0 EEAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CCC1)[NH+](C)C ZINC001484653690 1191457369 /nfs/dbraw/zinc/45/73/69/1191457369.db2.gz VHRZKKWPKXTQFA-AWEZNQCLSA-N 2 0 338.883 2.204 10 0 EEAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001484654731 1191457634 /nfs/dbraw/zinc/45/76/34/1191457634.db2.gz WBTOKWBDOMHWOC-DLBZAZTESA-N 2 0 337.508 2.057 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cncs1 ZINC001484742958 1191494983 /nfs/dbraw/zinc/49/49/83/1191494983.db2.gz URCLAMLJBUQJLE-INIZCTEOSA-N 2 0 338.521 2.296 10 0 EEAERP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485168265 1191671285 /nfs/dbraw/zinc/67/12/85/1191671285.db2.gz ZJPWOKURYFOYOJ-JKSUJKDBSA-N 2 0 330.476 2.001 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(F)c(F)c1 ZINC001485318702 1191732859 /nfs/dbraw/zinc/73/28/59/1191732859.db2.gz JHUVENGRUUDMSI-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)CCCC(C)(C)C ZINC001485386827 1191774332 /nfs/dbraw/zinc/77/43/32/1191774332.db2.gz ZPPAHRLJGHSNEC-DLBZAZTESA-N 2 0 341.540 2.218 10 0 EEAERP Cc1ncoc1C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1ccnc1C ZINC001485486265 1191815381 /nfs/dbraw/zinc/81/53/81/1191815381.db2.gz XPKMMVALPRIICY-INIZCTEOSA-N 2 0 345.447 2.049 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](CC[C@H]2CCCO2)CC3)CC1 ZINC001486149201 1193699716 /nfs/dbraw/zinc/69/97/16/1193699716.db2.gz OOIFRKSTOXBBQL-HLIPFELVSA-N 2 0 349.519 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@@H]2C1 ZINC001486167125 1193709619 /nfs/dbraw/zinc/70/96/19/1193709619.db2.gz PPMYMNDYEHTBMH-XPJRORGTSA-N 2 0 327.900 2.297 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486241050 1193767474 /nfs/dbraw/zinc/76/74/74/1193767474.db2.gz SHNRGMBWLUZXMT-HNNXBMFYSA-N 2 0 338.521 2.120 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC001486246943 1193773282 /nfs/dbraw/zinc/77/32/82/1193773282.db2.gz VLNZFJFQAJOLQJ-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC(=O)NCC1=CC[N@H+](C[C@H]2CCCOC2)CC1)n1ccnc1 ZINC001486516457 1194021605 /nfs/dbraw/zinc/02/16/05/1194021605.db2.gz IGEOMKRHBPCGQT-SJLPKXTDSA-N 2 0 346.475 2.009 10 0 EEAERP COc1cccc([C@@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001410111127 1197553174 /nfs/dbraw/zinc/55/31/74/1197553174.db2.gz BLXKNRBXHSMZRJ-AXUOBQJMSA-N 2 0 345.487 2.002 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001410209307 1197608883 /nfs/dbraw/zinc/60/88/83/1197608883.db2.gz PETNVELXFLCHDN-DJIMGWMZSA-N 2 0 327.488 2.339 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001410445116 1197911512 /nfs/dbraw/zinc/91/15/12/1197911512.db2.gz CSHZBRLXTQMPPI-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CN(C)C(=O)Cc1ncc[nH]1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001410473243 1198009128 /nfs/dbraw/zinc/00/91/28/1198009128.db2.gz SUVFWDKKCKGHQC-ZBEGNZNMSA-N 2 0 348.397 2.354 10 0 EEAERP C[C@H](CN(C)C(=O)Cc1ncc[nH]1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001410473229 1198009150 /nfs/dbraw/zinc/00/91/50/1198009150.db2.gz SUVFWDKKCKGHQC-BDJLRTHQSA-N 2 0 348.397 2.354 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001410908444 1198574075 /nfs/dbraw/zinc/57/40/75/1198574075.db2.gz CLSJYYXKQHQHIR-KKUMJFAQSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001410920798 1198578718 /nfs/dbraw/zinc/57/87/18/1198578718.db2.gz KQJBQTMVHBVSHU-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001411117125 1198816042 /nfs/dbraw/zinc/81/60/42/1198816042.db2.gz QFIYNNPHYLVLOY-QWHCGFSZSA-N 2 0 348.318 2.474 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001411117129 1198816140 /nfs/dbraw/zinc/81/61/40/1198816140.db2.gz QFIYNNPHYLVLOY-STQMWFEESA-N 2 0 348.318 2.474 10 0 EEAERP CC[NH+](CC)CCN(CCOC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810496043 1199532479 /nfs/dbraw/zinc/53/24/79/1199532479.db2.gz SYZAOMZYMHWQSN-SFHVURJKSA-N 2 0 345.503 2.016 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@H]1C[NH+](C)C ZINC000870024178 1200413032 /nfs/dbraw/zinc/41/30/32/1200413032.db2.gz XBJKWFZXVDUPTC-CHWSQXEVSA-N 2 0 341.858 2.291 10 0 EEAERP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870885120 1200932491 /nfs/dbraw/zinc/93/24/91/1200932491.db2.gz OFEPZVSBSSCQAG-AWEZNQCLSA-N 2 0 342.281 2.297 10 0 EEAERP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCC1(C)C ZINC000871158032 1201078318 /nfs/dbraw/zinc/07/83/18/1201078318.db2.gz KXSUDQDTTKACSR-GOSISDBHSA-N 2 0 329.488 2.451 10 0 EEAERP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866665672 1201574138 /nfs/dbraw/zinc/57/41/38/1201574138.db2.gz HYNQQAXTIGYDTJ-QWHCGFSZSA-N 2 0 341.297 2.394 10 0 EEAERP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710196 1201586899 /nfs/dbraw/zinc/58/68/99/1201586899.db2.gz OSQJBCKZYUOJBG-CAPXZKIUSA-N 2 0 335.835 2.268 10 0 EEAERP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717878 1201588227 /nfs/dbraw/zinc/58/82/27/1201588227.db2.gz SHIRAFWSEVNEGK-VYYLWUJASA-N 2 0 344.455 2.326 10 0 EEAERP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)CC[C@@H]21 ZINC000868184118 1201759412 /nfs/dbraw/zinc/75/94/12/1201759412.db2.gz YXTJXZMUICKPDR-OWLYRPNTSA-N 2 0 328.460 2.449 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1C ZINC001274037717 1204340600 /nfs/dbraw/zinc/34/06/00/1204340600.db2.gz SLHCIFGDHRRWHP-IHLDYCTFSA-N 2 0 337.414 2.067 10 0 EEAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001274118371 1204385468 /nfs/dbraw/zinc/38/54/68/1204385468.db2.gz BGZCDNKEFVOPML-NSCUHMNNSA-N 2 0 342.487 2.028 10 0 EEAERP Cc1ccc(OCC[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001274125424 1204389294 /nfs/dbraw/zinc/38/92/94/1204389294.db2.gz PPGGZCJUYKTJAY-VZSQWMKGSA-N 2 0 345.487 2.120 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001274154622 1204412652 /nfs/dbraw/zinc/41/26/52/1204412652.db2.gz TUOQAAFXGWXHFP-HMECNJMJSA-N 2 0 344.503 2.272 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274499995 1205058836 /nfs/dbraw/zinc/05/88/36/1205058836.db2.gz ZJMJCNWJQHGSQO-XDXAGZTOSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001275530063 1205398249 /nfs/dbraw/zinc/39/82/49/1205398249.db2.gz TVPKACHZFMAQCH-JKSUJKDBSA-N 2 0 327.513 2.015 10 0 EEAERP CCN1CC[C@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605522 1205449008 /nfs/dbraw/zinc/44/90/08/1205449008.db2.gz XISXLFSCMZSVMU-IRXDYDNUSA-N 2 0 331.460 2.043 10 0 EEAERP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001411814607 1205535180 /nfs/dbraw/zinc/53/51/80/1205535180.db2.gz OYCHGZQZDZMBFR-MRXNPFEDSA-N 2 0 331.460 2.433 10 0 EEAERP CN(CCC[NH2+]C[C@@H](O)c1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276168354 1205811095 /nfs/dbraw/zinc/81/10/95/1205811095.db2.gz LFOGSVZWDOVHKJ-GOSISDBHSA-N 2 0 347.503 2.033 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC001276190653 1205825639 /nfs/dbraw/zinc/82/56/39/1205825639.db2.gz TUPWCCMAPAFBBW-BBWFWOEESA-N 2 0 347.507 2.014 10 0 EEAERP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925509250 1206121362 /nfs/dbraw/zinc/12/13/62/1206121362.db2.gz VXMRLNMZNIENDY-RBUKOAKNSA-N 2 0 345.487 2.183 10 0 EEAERP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925517938 1206121933 /nfs/dbraw/zinc/12/19/33/1206121933.db2.gz OWWWRMWLXOYNBF-FGTMMUONSA-N 2 0 329.488 2.297 10 0 EEAERP CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925536746 1206124425 /nfs/dbraw/zinc/12/44/25/1206124425.db2.gz GXVLXLLONMDRHP-FGTMMUONSA-N 2 0 325.460 2.193 10 0 EEAERP [NH3+][C@@H]1C[C@@H](NCCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925538787 1206125020 /nfs/dbraw/zinc/12/50/20/1206125020.db2.gz TUHNIZZEGNEJOD-RTBURBONSA-N 2 0 328.504 2.058 10 0 EEAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000925563735 1206128777 /nfs/dbraw/zinc/12/87/77/1206128777.db2.gz FBTUKKLIESUMHA-ZWKOTPCHSA-N 2 0 345.487 2.155 10 0 EEAERP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925595086 1206133542 /nfs/dbraw/zinc/13/35/42/1206133542.db2.gz FUGSJHCRCDVZHE-MOPGFXCFSA-N 2 0 329.488 2.483 10 0 EEAERP CC1(C)[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925599268 1206133826 /nfs/dbraw/zinc/13/38/26/1206133826.db2.gz QTDZRDWUTSDQTM-VNQPRFMTSA-N 2 0 335.879 2.436 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)ccn1 ZINC000925655053 1206140832 /nfs/dbraw/zinc/14/08/32/1206140832.db2.gz UGRVEWTXMXYDBA-IEBWSBKVSA-N 2 0 333.476 2.317 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925811859 1206156550 /nfs/dbraw/zinc/15/65/50/1206156550.db2.gz SUQRAXXTGKZDSV-AWEZNQCLSA-N 2 0 345.491 2.044 10 0 EEAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848734 1206159968 /nfs/dbraw/zinc/15/99/68/1206159968.db2.gz JVLMMKDUDRPNFV-QGZVFWFLSA-N 2 0 332.492 2.069 10 0 EEAERP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851421 1206160599 /nfs/dbraw/zinc/16/05/99/1206160599.db2.gz FABMEOWMFXDSTA-WMLDXEAASA-N 2 0 332.444 2.421 10 0 EEAERP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858696 1206162189 /nfs/dbraw/zinc/16/21/89/1206162189.db2.gz ZHPHTBQLLHHTLQ-YOEHRIQHSA-N 2 0 334.435 2.422 10 0 EEAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)n1 ZINC000925872636 1206163228 /nfs/dbraw/zinc/16/32/28/1206163228.db2.gz IMTJPJJPGAKLJI-DGADGQDISA-N 2 0 334.464 2.015 10 0 EEAERP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000926151946 1206199164 /nfs/dbraw/zinc/19/91/64/1206199164.db2.gz YMHVXMMSMZPNTG-IRXDYDNUSA-N 2 0 346.500 2.034 10 0 EEAERP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000926155567 1206199403 /nfs/dbraw/zinc/19/94/03/1206199403.db2.gz LKQXECJBJRRWQG-JKSUJKDBSA-N 2 0 334.489 2.107 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000930663807 1206573968 /nfs/dbraw/zinc/57/39/68/1206573968.db2.gz PGFAFNJFUQTUOG-GOSISDBHSA-N 2 0 347.503 2.004 10 0 EEAERP C[C@@]12CN(CCN3CCOC3=O)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215193 1206616569 /nfs/dbraw/zinc/61/65/69/1206616569.db2.gz VCFDQNYGSVIVCL-PMACEKPBSA-N 2 0 343.471 2.283 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000718019949 1211702782 /nfs/dbraw/zinc/70/27/82/1211702782.db2.gz MDSXCTWKMPNTJI-ICSRJNTNSA-N 3 0 345.531 2.476 10 0 EEAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001413016627 1216578319 /nfs/dbraw/zinc/57/83/19/1216578319.db2.gz AQDACHPBWGBICS-FPOVZHCZSA-N 2 0 345.531 2.204 10 0 EEAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@@H](C)O1 ZINC000900980335 1235074169 /nfs/dbraw/zinc/07/41/69/1235074169.db2.gz JXNOAHIJGJDSLL-TVFCKZIOSA-N 2 0 337.508 2.009 10 0 EEAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001413344544 1235648017 /nfs/dbraw/zinc/64/80/17/1235648017.db2.gz NJHNFWYIMAMODV-PBHICJAKSA-N 2 0 335.467 2.335 10 0 EEAERP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC[NH+](C2CCOCC2)CC1 ZINC000903047353 1239614200 /nfs/dbraw/zinc/61/42/00/1239614200.db2.gz MCTVTWBPVWMSHM-CENDIDJXSA-N 2 0 334.504 2.281 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000903493459 1240661421 /nfs/dbraw/zinc/66/14/21/1240661421.db2.gz XYJDRPONAKUQAM-FCEWJHQRSA-N 2 0 332.444 2.058 10 0 EEAERP C[C@@]1([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)COC(=O)N1 ZINC000903562028 1240949047 /nfs/dbraw/zinc/94/90/47/1240949047.db2.gz VIAZXRXEOKGAMX-LPHOPBHVSA-N 2 0 329.444 2.043 10 0 EEAERP c1ccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722161 1241720431 /nfs/dbraw/zinc/72/04/31/1241720431.db2.gz IATADEXWXBIJJD-UFYCRDLUSA-N 2 0 330.472 2.436 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(OCCC(C)C)CC2)cnn1C ZINC000903884455 1242312977 /nfs/dbraw/zinc/31/29/77/1242312977.db2.gz AKPHMSRIUFBXMQ-KRWDZBQOSA-N 2 0 336.524 2.373 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2cccc(N(C)C)c2)cnn1C ZINC000903898529 1242390315 /nfs/dbraw/zinc/39/03/15/1242390315.db2.gz ORQKTPZSAXEAFL-QGZVFWFLSA-N 2 0 329.492 2.044 10 0 EEAERP CC[N@@H+](CC(=O)Nc1ccccc1OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905701 1242421951 /nfs/dbraw/zinc/42/19/51/1242421951.db2.gz LTMDYFOZOPDZHD-MQVJKMGUSA-N 2 0 331.460 2.486 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC[C@@H]2CCc3ccccc3N2)cnn1C ZINC000903932471 1242552203 /nfs/dbraw/zinc/55/22/03/1242552203.db2.gz RWJDHHAGFKSCCZ-LPHOPBHVSA-N 2 0 341.503 2.253 10 0 EEAERP Cc1ccccc1NC(=O)C[C@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972368 1242802921 /nfs/dbraw/zinc/80/29/21/1242802921.db2.gz HHWRLYOHXDKBLU-IRXDYDNUSA-N 2 0 345.487 2.460 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)sn1 ZINC001491025747 1258583965 /nfs/dbraw/zinc/58/39/65/1258583965.db2.gz DLDUWVSQOWSMCQ-QLFBSQMISA-N 2 0 336.505 2.063 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001491315576 1258943459 /nfs/dbraw/zinc/94/34/59/1258943459.db2.gz UIBATOSBWRCPJG-BHNDVYRESA-N 2 0 347.478 2.474 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491478792 1259129226 /nfs/dbraw/zinc/12/92/26/1259129226.db2.gz SUMUDACESVYQJF-CRAIPNDOSA-N 2 0 330.476 2.083 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1cccnc1 ZINC001491478793 1259129475 /nfs/dbraw/zinc/12/94/75/1259129475.db2.gz SUMUDACESVYQJF-MAUKXSAKSA-N 2 0 330.476 2.083 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491502648 1259153315 /nfs/dbraw/zinc/15/33/15/1259153315.db2.gz AVMVJIBOJHDXBK-MSOLQXFVSA-N 2 0 347.503 2.261 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CCC2)CC1 ZINC001489083291 1290364655 /nfs/dbraw/zinc/36/46/55/1290364655.db2.gz CLLHCQBHEKYJBD-MANSERQUSA-N 2 0 345.531 2.297 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1 ZINC001489202601 1290445336 /nfs/dbraw/zinc/44/53/36/1290445336.db2.gz LJSYVUNYCQTBNN-MSOLQXFVSA-N 2 0 333.520 2.299 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001490456471 1291392337 /nfs/dbraw/zinc/39/23/37/1291392337.db2.gz FEDKVTSSPBYLSL-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2)[NH+]1CCCC1 ZINC001490609019 1291519234 /nfs/dbraw/zinc/51/92/34/1291519234.db2.gz IPTKILDHHCVLEL-IRXDYDNUSA-N 2 0 339.499 2.437 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852107674 1291994720 /nfs/dbraw/zinc/99/47/20/1291994720.db2.gz OAPSIIUYCLWAFN-RBUKOAKNSA-N 2 0 340.508 2.279 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC[NH+]3CCCCC3)C2)ccn1 ZINC000856585698 1293571888 /nfs/dbraw/zinc/57/18/88/1293571888.db2.gz LZYKJSDBYYILPQ-HXUWFJFHSA-N 2 0 346.519 2.472 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC[NH+]3CCCC3)C2)ccn1 ZINC000856591251 1293574749 /nfs/dbraw/zinc/57/47/49/1293574749.db2.gz LJFXGWANYYVMBG-LJQANCHMSA-N 2 0 332.492 2.082 10 0 EEAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856605435 1293580241 /nfs/dbraw/zinc/58/02/41/1293580241.db2.gz WXKZWDQQVPRWPN-ROUUACIJSA-N 2 0 347.459 2.081 10 0 EEAERP O[C@@H]1CC[C@H]2CC[NH+](CCCCCC[N@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)[C@@H]12 ZINC000860130805 1294823831 /nfs/dbraw/zinc/82/38/31/1294823831.db2.gz KWVGWUSOOOQWGD-VTYCOLDWSA-N 2 0 336.520 2.237 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001274038117 1296840667 /nfs/dbraw/zinc/84/06/67/1296840667.db2.gz VNOWXLVGWHHZBX-SSBHQGKESA-N 2 0 329.435 2.024 10 0 EEAERP CCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001276799587 1297861638 /nfs/dbraw/zinc/86/16/38/1297861638.db2.gz ISLIJOIZDQXPCP-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1oncc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277279912 1302157153 /nfs/dbraw/zinc/15/71/53/1302157153.db2.gz KRVDTVSCJIJFEJ-YCPHGPKFSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277356276 1302615530 /nfs/dbraw/zinc/61/55/30/1302615530.db2.gz RDGTWALVTDAGCB-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP O=C(N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001278283552 1308959809 /nfs/dbraw/zinc/95/98/09/1308959809.db2.gz VYZIKGGUTSWWQE-WEJQMCOXSA-N 2 0 325.884 2.099 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001118988124 1308969707 /nfs/dbraw/zinc/96/97/07/1308969707.db2.gz KCGXTZRLWOMMJP-UHFFFAOYSA-N 2 0 341.565 2.396 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001278300198 1309150030 /nfs/dbraw/zinc/15/00/30/1309150030.db2.gz GDPLONRHSCHTMJ-AEFFLSMTSA-N 2 0 335.467 2.100 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841288663 1315522605 /nfs/dbraw/zinc/52/26/05/1315522605.db2.gz QNXKAFHRDDJEJK-UHFFFAOYSA-N 2 0 334.464 2.268 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841752060 1315608485 /nfs/dbraw/zinc/60/84/85/1315608485.db2.gz FMRVJBGLVIWQHN-QAPCUYQASA-N 2 0 336.524 2.328 10 0 EEAERP C[C@@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001278518826 1317122716 /nfs/dbraw/zinc/12/27/16/1317122716.db2.gz JTCIVQCTHVIDNW-YCOJEUHLSA-N 2 0 325.884 2.196 10 0 EEAERP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001278528627 1317151935 /nfs/dbraw/zinc/15/19/35/1317151935.db2.gz HAVJHQCDHJOJKL-BQLWYNFJSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001278576730 1317266727 /nfs/dbraw/zinc/26/67/27/1317266727.db2.gz JSJOHCNTHAYVLT-CVEARBPZSA-N 2 0 347.425 2.253 10 0 EEAERP C[C@H]([NH2+]Cc1nccs1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038055 1319059207 /nfs/dbraw/zinc/05/92/07/1319059207.db2.gz DNBJVNISDWJLFG-GJZGRUSLSA-N 2 0 338.521 2.202 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC[C@@H]1CC1(Cl)Cl ZINC001265058286 1322898437 /nfs/dbraw/zinc/89/84/37/1322898437.db2.gz OJCUHPBUTBZEEE-CYBMUJFWSA-N 2 0 348.318 2.104 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001265310136 1323059912 /nfs/dbraw/zinc/05/99/12/1323059912.db2.gz HVJXDSSSEALCFT-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001265319693 1323068072 /nfs/dbraw/zinc/06/80/72/1323068072.db2.gz PXQUVPODGYWCLC-ROUUACIJSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCc1ccsc1)C1CC1 ZINC001265366151 1323099428 /nfs/dbraw/zinc/09/94/28/1323099428.db2.gz JANSGAJKWCSSKV-IAGOWNOFSA-N 2 0 335.517 2.259 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC001265591472 1323249108 /nfs/dbraw/zinc/24/91/08/1323249108.db2.gz VHZUTAOYYXVURY-CQSZACIVSA-N 2 0 337.430 2.499 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1cccnc1 ZINC001265872133 1323443946 /nfs/dbraw/zinc/44/39/46/1323443946.db2.gz PFYDOAIQHWDDKP-ROUUACIJSA-N 2 0 330.476 2.037 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001265933216 1323497077 /nfs/dbraw/zinc/49/70/77/1323497077.db2.gz HHMMEHZUFSOOBU-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001265949428 1323511953 /nfs/dbraw/zinc/51/19/53/1323511953.db2.gz MXKKDMIDKALKOV-KRWDZBQOSA-N 2 0 348.491 2.248 10 0 EEAERP CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C[C@H](C)OC ZINC001266057290 1323608775 /nfs/dbraw/zinc/60/87/75/1323608775.db2.gz CXPKZHYKXMVTDL-AWEZNQCLSA-N 2 0 332.448 2.119 10 0 EEAERP CCOCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001266181651 1323748371 /nfs/dbraw/zinc/74/83/71/1323748371.db2.gz LVJUXILIAWCUAQ-GOSISDBHSA-N 2 0 339.524 2.209 10 0 EEAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1)[NH+](C)C ZINC001266222537 1323793506 /nfs/dbraw/zinc/79/35/06/1323793506.db2.gz CRVADHXVLDWXRT-QZTJIDSGSA-N 2 0 332.492 2.283 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)no1 ZINC001266231355 1323808967 /nfs/dbraw/zinc/80/89/67/1323808967.db2.gz GOXCVXPBNYHMAH-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001280082534 1324077815 /nfs/dbraw/zinc/07/78/15/1324077815.db2.gz DHRWFGRYGZPHAL-MJGOQNOKSA-N 2 0 346.519 2.304 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001280220177 1324120492 /nfs/dbraw/zinc/12/04/92/1324120492.db2.gz VVWVPZBKUFXHFU-CGGYKVPPSA-N 2 0 327.900 2.299 10 0 EEAERP O=C(NC1(C[NH2+]CCCF)CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001282606732 1325750953 /nfs/dbraw/zinc/75/09/53/1325750953.db2.gz BPNCQOKKOBBUKZ-MRXNPFEDSA-N 2 0 325.472 2.097 10 0 EEAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001282914795 1325832881 /nfs/dbraw/zinc/83/28/81/1325832881.db2.gz LNZOJHSVIFLFKL-DLBZAZTESA-N 2 0 337.508 2.033 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001316624356 1325928333 /nfs/dbraw/zinc/92/83/33/1325928333.db2.gz MNRYOLYWEMUVCC-MCIONIFRSA-N 2 0 348.318 2.151 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccns1 ZINC001283174755 1325944558 /nfs/dbraw/zinc/94/45/58/1325944558.db2.gz ZGZFVAIDLQWRCO-ZBFHGGJFSA-N 2 0 338.521 2.390 10 0 EEAERP Cc1cc(NC(=O)[C@@H](C)CC[NH+](C)C)ccc1N1CC[NH+](C)CC1 ZINC001290526720 1328217752 /nfs/dbraw/zinc/21/77/52/1328217752.db2.gz BCUZAONXQMHARU-HNNXBMFYSA-N 2 0 332.492 2.273 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001492165435 1331029953 /nfs/dbraw/zinc/02/99/53/1331029953.db2.gz VDIMXGBDLKAZGN-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1C[C@H]1CCCCO1 ZINC001492177500 1331056761 /nfs/dbraw/zinc/05/67/61/1331056761.db2.gz HDZIFEYZYFAOGS-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001316793188 1331896591 /nfs/dbraw/zinc/89/65/91/1331896591.db2.gz RQAITMQZCULMCG-SJORKVTESA-N 2 0 341.540 2.358 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001316799759 1331898965 /nfs/dbraw/zinc/89/89/65/1331898965.db2.gz HVNBKMBXMVTTNK-FGTMMUONSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001316995278 1332035820 /nfs/dbraw/zinc/03/58/20/1332035820.db2.gz OVJQAKRYCBYHDD-HKUYNNGSSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001317338812 1332185189 /nfs/dbraw/zinc/18/51/89/1332185189.db2.gz PUSGDQFQLDAVJZ-UYAOXDASSA-N 2 0 343.515 2.399 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC/C=C/c3ccccc3)C2)C1 ZINC001317344147 1332187825 /nfs/dbraw/zinc/18/78/25/1332187825.db2.gz PXZJNFMRHXPUKX-FETDAWAGSA-N 2 0 341.499 2.480 10 0 EEAERP CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001317366524 1332197720 /nfs/dbraw/zinc/19/77/20/1332197720.db2.gz OHMMOYJRRDFTIF-MOPGFXCFSA-N 2 0 329.488 2.472 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccccn1)[NH+](C)C ZINC001317433529 1332237423 /nfs/dbraw/zinc/23/74/23/1332237423.db2.gz FJNPIGCVVAKAKQ-ROUUACIJSA-N 2 0 332.492 2.283 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1Cc1cccnc1 ZINC001317435343 1332239275 /nfs/dbraw/zinc/23/92/75/1332239275.db2.gz RILFVNKOUPFCEU-SFHVURJKSA-N 2 0 332.492 2.283 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317601089 1332319755 /nfs/dbraw/zinc/31/97/55/1332319755.db2.gz QNKKAVMSABJHGZ-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1 ZINC001317602501 1332320740 /nfs/dbraw/zinc/32/07/40/1332320740.db2.gz AQMQFAZGTBIXRM-GOSISDBHSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001318376476 1332519135 /nfs/dbraw/zinc/51/91/35/1332519135.db2.gz IYEAUYREAUBRBF-LJQANCHMSA-N 2 0 344.503 2.347 10 0 EEAERP CC(C)OCC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001318669670 1332574755 /nfs/dbraw/zinc/57/47/55/1332574755.db2.gz FHVGOMACSDDYEM-CALCHBBNSA-N 2 0 339.524 2.303 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319541499 1332718553 /nfs/dbraw/zinc/71/85/53/1332718553.db2.gz UIPIDILPDIOJRA-IRXDYDNUSA-N 2 0 327.513 2.112 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCCF)C1CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001319651713 1332734092 /nfs/dbraw/zinc/73/40/92/1332734092.db2.gz PMJKUPXVWYABRH-MSOLQXFVSA-N 2 0 339.499 2.343 10 0 EEAERP Cc1oncc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001319714865 1332749394 /nfs/dbraw/zinc/74/93/94/1332749394.db2.gz PRODCJURZYACLB-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1 ZINC001319789827 1332768488 /nfs/dbraw/zinc/76/84/88/1332768488.db2.gz DLABOZVTBWDUEU-MRXNPFEDSA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320416474 1332878651 /nfs/dbraw/zinc/87/86/51/1332878651.db2.gz VNXGEYZXMJWJCC-ZBFHGGJFSA-N 2 0 348.491 2.124 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320635877 1332926373 /nfs/dbraw/zinc/92/63/73/1332926373.db2.gz ZKNDLHBGSJYWCO-JSGCOSHPSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737242 1332943453 /nfs/dbraw/zinc/94/34/53/1332943453.db2.gz IXHDQXGNRUFSRB-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320929565 1332981339 /nfs/dbraw/zinc/98/13/39/1332981339.db2.gz SAYHQEREXOMOCY-CALCHBBNSA-N 2 0 332.492 2.201 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2Cl)C1 ZINC001321391793 1333093524 /nfs/dbraw/zinc/09/35/24/1333093524.db2.gz HZWGHRYLKXXLHI-BAABZTOOSA-N 2 0 339.842 2.193 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F)[NH+](C)C ZINC001324224693 1333638505 /nfs/dbraw/zinc/63/85/05/1333638505.db2.gz DUTBZJHNUMOEMV-WMZOPIPTSA-N 2 0 335.467 2.289 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)cn1 ZINC001324261445 1333644947 /nfs/dbraw/zinc/64/49/47/1333644947.db2.gz QYLRSLFBFMFMMV-DLBZAZTESA-N 2 0 347.507 2.159 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001325766941 1333956893 /nfs/dbraw/zinc/95/68/93/1333956893.db2.gz SETWEJFHQLRBIN-SNHAVAMSSA-N 2 0 333.520 2.465 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001326223267 1334047059 /nfs/dbraw/zinc/04/70/59/1334047059.db2.gz HHLDRBARRYVHCI-MOPGFXCFSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326349561 1334074134 /nfs/dbraw/zinc/07/41/34/1334074134.db2.gz NOJFRZLXBNJGQL-XIRDDKMYSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC001326398080 1334083763 /nfs/dbraw/zinc/08/37/63/1334083763.db2.gz LLPVJXQHKPAVAM-QGZVFWFLSA-N 2 0 348.491 2.043 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCOC)CC1 ZINC001328048952 1334384400 /nfs/dbraw/zinc/38/44/00/1334384400.db2.gz AFCYJCVTWZFGKG-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)[C@H]1c1ccc(F)cc1 ZINC001328713356 1334505417 /nfs/dbraw/zinc/50/54/17/1334505417.db2.gz GYTHKXWLASMNOB-FGTMMUONSA-N 2 0 348.466 2.402 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)co1 ZINC001330946211 1334932466 /nfs/dbraw/zinc/93/24/66/1334932466.db2.gz LGHWCYFNMJPXTL-OAHLLOKOSA-N 2 0 336.480 2.089 10 0 EEAERP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001333416422 1336040087 /nfs/dbraw/zinc/04/00/87/1336040087.db2.gz HJEPSCLSQSVDFR-DLBZAZTESA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H](c1ccccc1)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479679943 1337340788 /nfs/dbraw/zinc/34/07/88/1337340788.db2.gz CCBSDEQNPIVJLP-PKOBYXMFSA-N 2 0 347.503 2.106 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001433876720 1341710823 /nfs/dbraw/zinc/71/08/23/1341710823.db2.gz VMWWRFKXZVORIC-OAHLLOKOSA-N 2 0 333.476 2.170 10 0 EEAERP Cn1cncc1CC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001434483678 1341854332 /nfs/dbraw/zinc/85/43/32/1341854332.db2.gz CPLZANILHCXCHO-KBXCAEBGSA-N 2 0 334.464 2.151 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001668652319 1355980306 /nfs/dbraw/zinc/98/03/06/1355980306.db2.gz LTFCXWTYCKLWND-OKILXGFUSA-N 2 0 338.521 2.262 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1C[C@H]1CCC(F)(F)C1 ZINC001436332909 1342036965 /nfs/dbraw/zinc/03/69/65/1342036965.db2.gz KVMZGDLKEFPZEW-GJZGRUSLSA-N 2 0 331.451 2.295 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001673923643 1356760686 /nfs/dbraw/zinc/76/06/86/1356760686.db2.gz MLFYLGXQZLZJEM-DZGCQCFKSA-N 2 0 331.451 2.200 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCOC)C1 ZINC001566746199 1342622539 /nfs/dbraw/zinc/62/25/39/1342622539.db2.gz CPUKHNOKJRIPIK-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001567066482 1342690163 /nfs/dbraw/zinc/69/01/63/1342690163.db2.gz XWVHBMVMQHHFTJ-MRXNPFEDSA-N 2 0 337.508 2.082 10 0 EEAERP CCc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001567497138 1342769938 /nfs/dbraw/zinc/76/99/38/1342769938.db2.gz LYOZZMHWKAGHQI-VQIMIIECSA-N 2 0 331.504 2.180 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)c1sccc1C[NH+](C)C ZINC001567503149 1342773148 /nfs/dbraw/zinc/77/31/48/1342773148.db2.gz VEJHVPZHJGYCCI-UHFFFAOYSA-N 2 0 332.473 2.067 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001567516438 1342776255 /nfs/dbraw/zinc/77/62/55/1342776255.db2.gz UAHAWFYZRGNQKB-GJZGRUSLSA-N 2 0 329.435 2.097 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567776120 1342839124 /nfs/dbraw/zinc/83/91/24/1342839124.db2.gz NYMGYNUADMNTSF-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001570013972 1342999756 /nfs/dbraw/zinc/99/97/56/1342999756.db2.gz VITQYEOREVOHIN-SFHVURJKSA-N 2 0 331.504 2.411 10 0 EEAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCOC(C)C)CC1)[NH+](C)C ZINC001570263076 1343044197 /nfs/dbraw/zinc/04/41/97/1343044197.db2.gz ADMQEJPJPHSPAV-INIZCTEOSA-N 2 0 327.513 2.112 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H]1CCCCO1 ZINC001570543851 1343080866 /nfs/dbraw/zinc/08/08/66/1343080866.db2.gz OGBWDEMEGBCJIH-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001571007392 1343148480 /nfs/dbraw/zinc/14/84/80/1343148480.db2.gz FBGAYUJUDIKZSR-MSOLQXFVSA-N 2 0 337.508 2.034 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001571634369 1343256141 /nfs/dbraw/zinc/25/61/41/1343256141.db2.gz HIDKWPJCYXYQAS-DLBZAZTESA-N 2 0 341.540 2.408 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001676661754 1357176653 /nfs/dbraw/zinc/17/66/53/1357176653.db2.gz KBOSLPMOTZSDKQ-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001676973953 1357253302 /nfs/dbraw/zinc/25/33/02/1357253302.db2.gz CVIDKAUSKBTMNZ-FMQFUMSTSA-N 2 0 327.900 2.489 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001649449751 1353511449 /nfs/dbraw/zinc/51/14/49/1353511449.db2.gz UGPXGWJRUGTUTO-YQVWRLOYSA-N 2 0 347.503 2.056 10 0 EEAERP Cc1oncc1C[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001660752585 1354531683 /nfs/dbraw/zinc/53/16/83/1354531683.db2.gz BQQOIDNLWZAKQW-GASCZTMLSA-N 2 0 348.491 2.327 10 0 EEAERP CCCCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001660776192 1354536503 /nfs/dbraw/zinc/53/65/03/1354536503.db2.gz PWHNRXMMUGXMAF-SJLPKXTDSA-N 2 0 339.524 2.066 10 0 EEAERP CCOCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001661897094 1354720508 /nfs/dbraw/zinc/72/05/08/1354720508.db2.gz ZTWSSXPQXLEMKH-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001663992532 1355069669 /nfs/dbraw/zinc/06/96/69/1355069669.db2.gz LMKPCSMATRQRNA-OAHLLOKOSA-N 2 0 338.883 2.157 10 0 EEAERP Cc1ncc(C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)C)o1 ZINC001664510752 1355181952 /nfs/dbraw/zinc/18/19/52/1355181952.db2.gz WRVWZXRXKXLFQR-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001666140932 1355465344 /nfs/dbraw/zinc/46/53/44/1355465344.db2.gz ZXEUWUZEHROTDV-OAHLLOKOSA-N 2 0 348.491 2.222 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001667301635 1355702802 /nfs/dbraw/zinc/70/28/02/1355702802.db2.gz HKBBMCJPKJAVBZ-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668086767 1355866192 /nfs/dbraw/zinc/86/61/92/1355866192.db2.gz IZKBICGGHNBSNX-PBHICJAKSA-N 2 0 334.464 2.066 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001668235194 1355906022 /nfs/dbraw/zinc/90/60/22/1355906022.db2.gz ZWEGWKNPPJUZGW-WBVHZDCISA-N 2 0 347.507 2.034 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668641488 1355978233 /nfs/dbraw/zinc/97/82/33/1355978233.db2.gz RGCZHTDTASDTNC-CQSZACIVSA-N 2 0 341.858 2.369 10 0 EEAERP C[NH+](C)CCCC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001669008026 1356066326 /nfs/dbraw/zinc/06/63/26/1356066326.db2.gz DUWBLPOTBAEGBT-WHLIDYPQSA-N 2 0 333.451 2.417 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC001670271438 1356309219 /nfs/dbraw/zinc/30/92/19/1356309219.db2.gz LJLGKXUZAHKHQI-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)C[NH+]1CCCC1 ZINC001670345111 1356324003 /nfs/dbraw/zinc/32/40/03/1356324003.db2.gz PLPLSGLMVFQNSM-SFHVURJKSA-N 2 0 343.515 2.325 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCOCC1 ZINC001671958030 1356443592 /nfs/dbraw/zinc/44/35/92/1356443592.db2.gz ZPCMYYFLKBZLPH-KRWDZBQOSA-N 2 0 337.508 2.082 10 0 EEAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001672285920 1356494027 /nfs/dbraw/zinc/49/40/27/1356494027.db2.gz BYYOGVQDNCYMKP-PKOBYXMFSA-N 2 0 343.515 2.398 10 0 EEAERP Cc1c(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCCF)C2)ccc2c[nH+]cn21 ZINC001672293403 1356495605 /nfs/dbraw/zinc/49/56/05/1356495605.db2.gz KFIQJQNIHJUXPM-ZFWWWQNUSA-N 2 0 332.423 2.300 10 0 EEAERP CCOCC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001673079496 1356644461 /nfs/dbraw/zinc/64/44/61/1356644461.db2.gz CELZNZQGLYLXOL-UHFFFAOYSA-N 2 0 347.503 2.038 10 0 EEAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCc2ccccc2F)C1)C1CCC1 ZINC001674551319 1356857745 /nfs/dbraw/zinc/85/77/45/1356857745.db2.gz NVVGOPDXDZGTSX-UHFFFAOYSA-N 2 0 347.478 2.337 10 0 EEAERP CN(CC(C)(C)C[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001674872525 1356905122 /nfs/dbraw/zinc/90/51/22/1356905122.db2.gz NBIHPIBQAUKWIJ-LBPRGKRZSA-N 2 0 336.307 2.331 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCF)C1 ZINC001692119805 1404980622 /nfs/dbraw/zinc/98/06/22/1404980622.db2.gz LEEQCTSRSQMDRG-BRWVUGGUSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001698838288 1405100383 /nfs/dbraw/zinc/10/03/83/1405100383.db2.gz VUEPRHZPZIUDJX-FUHWJXTLSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699102477 1405255585 /nfs/dbraw/zinc/25/55/85/1405255585.db2.gz MGRRXGJQQSCCRY-PBHICJAKSA-N 2 0 333.451 2.152 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)on1 ZINC001699545514 1405379741 /nfs/dbraw/zinc/37/97/41/1405379741.db2.gz SUEDLRTVHIMEQT-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCCCCF)C3)C1 ZINC001699697871 1405452323 /nfs/dbraw/zinc/45/23/23/1405452323.db2.gz ULTWSVQCKUESTD-IEBWSBKVSA-N 2 0 339.499 2.392 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001699747337 1405464816 /nfs/dbraw/zinc/46/48/16/1405464816.db2.gz VTLSKVQLDGKLKE-OALUTQOASA-N 2 0 329.488 2.212 10 0 EEAERP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925475276 770471840 /nfs/dbraw/zinc/47/18/40/770471840.db2.gz LESPDBKBPYMMNN-JKSUJKDBSA-N 2 0 333.476 2.149 10 0 EEAERP COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925478805 770645505 /nfs/dbraw/zinc/64/55/05/770645505.db2.gz PZXWSOSEHATJND-LJQANCHMSA-N 2 0 347.503 2.018 10 0 EEAERP COC[C@H](C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000930129688 770721570 /nfs/dbraw/zinc/72/15/70/770721570.db2.gz BBEPDUSCQCWEAD-SFHVURJKSA-N 2 0 325.541 2.395 10 0 EEAERP C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897337952 783395291 /nfs/dbraw/zinc/39/52/91/783395291.db2.gz HZVSYMJGKNCGKF-QFUCXCTJSA-N 2 0 341.499 2.499 10 0 EEAERP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000906091862 783694380 /nfs/dbraw/zinc/69/43/80/783694380.db2.gz ZLZXYZMKIGCWFJ-OAGGEKHMSA-N 2 0 325.403 2.200 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2F)(N2CCCCC2)CC1 ZINC000819112016 785428750 /nfs/dbraw/zinc/42/87/50/785428750.db2.gz YXJOYTOYCVHGBZ-IBGZPJMESA-N 2 0 349.494 2.399 10 0 EEAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cc2)(N2CCCCC2)CC1 ZINC000819111761 785430516 /nfs/dbraw/zinc/43/05/16/785430516.db2.gz UYACESKONWCWED-IBGZPJMESA-N 2 0 349.494 2.399 10 0 EEAERP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000819218412 785476189 /nfs/dbraw/zinc/47/61/89/785476189.db2.gz GOOVUCYUHVFFNZ-FPOVZHCZSA-N 2 0 340.467 2.385 10 0 EEAERP COc1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)ccc1OCC[NH+](C)C ZINC000822925716 787462354 /nfs/dbraw/zinc/46/23/54/787462354.db2.gz ITNJEQIHFJNHEG-CQSZACIVSA-N 2 0 346.431 2.153 10 0 EEAERP c1nc2n(c1C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCOC2 ZINC000921512247 788571735 /nfs/dbraw/zinc/57/17/35/788571735.db2.gz JONPVJNXVQYJNL-UHFFFAOYSA-N 2 0 326.444 2.299 10 0 EEAERP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000923311321 789369849 /nfs/dbraw/zinc/36/98/49/789369849.db2.gz UTGQQDLZGNWUQN-RDJZCZTQSA-N 2 0 331.460 2.104 10 0 EEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000923327704 789371509 /nfs/dbraw/zinc/37/15/09/789371509.db2.gz HJAVSEKVVRSSBX-SQGPQFPESA-N 2 0 348.487 2.289 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439094 789562988 /nfs/dbraw/zinc/56/29/88/789562988.db2.gz CMWGWYDSGJRCNJ-XJKSGUPXSA-N 2 0 342.842 2.342 10 0 EEAERP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450354 789580607 /nfs/dbraw/zinc/58/06/07/789580607.db2.gz GRWZALQZVUUGNY-WBVHZDCISA-N 2 0 345.487 2.406 10 0 EEAERP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923499276 789682302 /nfs/dbraw/zinc/68/23/02/789682302.db2.gz RTLZJXQLDWOFJS-ROUUACIJSA-N 2 0 331.504 2.187 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000903493776 795101341 /nfs/dbraw/zinc/10/13/41/795101341.db2.gz WOCGYGFOQWRGAV-GMBSWORKSA-N 2 0 343.402 2.086 10 0 EEAERP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921816250 796486717 /nfs/dbraw/zinc/48/67/17/796486717.db2.gz FKMAECPSQBYOEA-UHFFFAOYSA-N 2 0 346.450 2.099 10 0 EEAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001566505660 1125673868 /nfs/dbraw/zinc/67/38/68/1125673868.db2.gz RWPRDBJSGYSKKJ-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CC(F)(F)C1 ZINC001566551012 1125722326 /nfs/dbraw/zinc/72/23/26/1125722326.db2.gz ZVZPRYXYZPQXEN-INIZCTEOSA-N 2 0 343.462 2.202 10 0 EEAERP COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c1C ZINC001436415159 1087769720 /nfs/dbraw/zinc/76/97/20/1087769720.db2.gz JCLJLTPYXHUJEE-FUHWJXTLSA-N 2 0 347.503 2.330 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001436433694 1087809774 /nfs/dbraw/zinc/80/97/74/1087809774.db2.gz VRQCAXTZOQFZGW-QAPCUYQASA-N 2 0 332.492 2.058 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C)[NH+](C)C ZINC001436486956 1087979224 /nfs/dbraw/zinc/97/92/24/1087979224.db2.gz ATYMWMJBNYETDZ-NZSAHSFTSA-N 2 0 331.504 2.394 10 0 EEAERP CC[C@@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)OC ZINC001436496841 1088012527 /nfs/dbraw/zinc/01/25/27/1088012527.db2.gz YAALNJZOGLSYAP-ULQDDVLXSA-N 2 0 327.513 2.065 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001436699078 1088162117 /nfs/dbraw/zinc/16/21/17/1088162117.db2.gz LXQRLUHEWPGACO-IRXDYDNUSA-N 2 0 339.524 2.065 10 0 EEAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001436761904 1088282771 /nfs/dbraw/zinc/28/27/71/1088282771.db2.gz ZTBWMHWTRDNLRH-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001436806983 1088390514 /nfs/dbraw/zinc/39/05/14/1088390514.db2.gz MLHSJQWXDJIVCS-HNAYVOBHSA-N 2 0 347.478 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CCF)C2)C1 ZINC001436836575 1088462334 /nfs/dbraw/zinc/46/23/34/1088462334.db2.gz ATFZKQQHRXERFS-IAGOWNOFSA-N 2 0 327.488 2.248 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001436976357 1088671934 /nfs/dbraw/zinc/67/19/34/1088671934.db2.gz HZXLLIXIIHJSCS-CALCHBBNSA-N 2 0 330.476 2.003 10 0 EEAERP Cc1ncoc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437001457 1088756795 /nfs/dbraw/zinc/75/67/95/1088756795.db2.gz RDCQADKJGLADFW-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001437015746 1088800400 /nfs/dbraw/zinc/80/04/00/1088800400.db2.gz AVPXLLQGMKFRJC-ZMCCTTKHSA-N 2 0 336.307 2.474 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(Cl)s1 ZINC001437161271 1089170886 /nfs/dbraw/zinc/17/08/86/1089170886.db2.gz ISXUHKUZGXMGIK-WCQYABFASA-N 2 0 329.897 2.480 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC001437202047 1089265328 /nfs/dbraw/zinc/26/53/28/1089265328.db2.gz PZKZEYSDAFZCBY-HUBLWGQQSA-N 2 0 338.521 2.085 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437260681 1089403315 /nfs/dbraw/zinc/40/33/15/1089403315.db2.gz JDASPFYDDZPOIV-CXAGYDPISA-N 2 0 339.430 2.434 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC001437310720 1089470682 /nfs/dbraw/zinc/47/06/82/1089470682.db2.gz KYDFTVDIEYRULI-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nocc2C)C1)[NH+](CC)CC ZINC001437313775 1089474450 /nfs/dbraw/zinc/47/44/50/1089474450.db2.gz QXOFJCFSKCPQRV-DOTOQJQBSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001437402564 1089672640 /nfs/dbraw/zinc/67/26/40/1089672640.db2.gz YITNCZODSLBYRO-DZGCQCFKSA-N 2 0 336.480 2.403 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(Cl)ccc1F ZINC001437420985 1089707259 /nfs/dbraw/zinc/70/72/59/1089707259.db2.gz GEOJSOFXHAHQFD-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001437425227 1089714441 /nfs/dbraw/zinc/71/44/41/1089714441.db2.gz ZQNDZZKGDSFFKB-CQSZACIVSA-N 2 0 336.480 2.052 10 0 EEAERP C[C@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001437527657 1089956568 /nfs/dbraw/zinc/95/65/68/1089956568.db2.gz VVBSETRQUIASQQ-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)n1 ZINC001437541578 1089991501 /nfs/dbraw/zinc/99/15/01/1089991501.db2.gz OVSOMFPDVHYOEZ-IEBWSBKVSA-N 2 0 346.519 2.367 10 0 EEAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001437613362 1090120928 /nfs/dbraw/zinc/12/09/28/1090120928.db2.gz BHLYDFZBRJBPNA-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001437716128 1090263538 /nfs/dbraw/zinc/26/35/38/1090263538.db2.gz XWAQXTLAWOUSLJ-GDBMZVCRSA-N 2 0 341.496 2.366 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001437830499 1090418523 /nfs/dbraw/zinc/41/85/23/1090418523.db2.gz AOEHUMRAZCOECA-INIZCTEOSA-N 2 0 347.507 2.159 10 0 EEAERP COC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001437852427 1090434941 /nfs/dbraw/zinc/43/49/41/1090434941.db2.gz NLTGMSCTSRIILW-CVEARBPZSA-N 2 0 339.524 2.112 10 0 EEAERP COC[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001437994154 1090593845 /nfs/dbraw/zinc/59/38/45/1090593845.db2.gz PCWUONGLSKQWPP-WMZOPIPTSA-N 2 0 339.524 2.066 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438121911 1090650739 /nfs/dbraw/zinc/65/07/39/1090650739.db2.gz PJDWOFCCIWKVAZ-KRWDZBQOSA-N 2 0 339.499 2.295 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(F)c(F)c2)CCCC1 ZINC001438406007 1090892674 /nfs/dbraw/zinc/89/26/74/1090892674.db2.gz WGDIFKMLVHGEDY-UHFFFAOYSA-N 2 0 339.430 2.435 10 0 EEAERP C[N@H+](CC(=O)N[C@](C)(C[NH2+]Cc1cncs1)C1CC1)C1CCC1 ZINC001438423318 1090919090 /nfs/dbraw/zinc/91/90/90/1090919090.db2.gz ZAYVIBQUFQBYJZ-QGZVFWFLSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1cncc(C[N@H+]2CCC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)c1 ZINC001438465990 1090972658 /nfs/dbraw/zinc/97/26/58/1090972658.db2.gz VZBCKRIXHNAQFL-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001445397927 1091143504 /nfs/dbraw/zinc/14/35/04/1091143504.db2.gz AIDMJOPMPGIQRV-CRAIPNDOSA-N 2 0 332.492 2.105 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001438707843 1091221556 /nfs/dbraw/zinc/22/15/56/1091221556.db2.gz HOWDAZOXWZFBKC-SJLPKXTDSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)s1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445476383 1091253084 /nfs/dbraw/zinc/25/30/84/1091253084.db2.gz QPYUIHKRVQEWGH-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)C)s1 ZINC001438832210 1091452824 /nfs/dbraw/zinc/45/28/24/1091452824.db2.gz XUPDWNUZUPXVHV-ZFWWWQNUSA-N 2 0 338.521 2.024 10 0 EEAERP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438834843 1091459617 /nfs/dbraw/zinc/45/96/17/1091459617.db2.gz KEGXONYNCMDJCX-WBVHZDCISA-N 2 0 335.467 2.494 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1cccc(N(C)C)c1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445776622 1091641758 /nfs/dbraw/zinc/64/17/58/1091641758.db2.gz ZDISETKLMZKLKG-QFBILLFUSA-N 2 0 346.519 2.173 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001438963649 1091655543 /nfs/dbraw/zinc/65/55/43/1091655543.db2.gz NMGZNWZTHZUIOR-QAPCUYQASA-N 2 0 335.467 2.460 10 0 EEAERP CC(C)COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001439179306 1091826194 /nfs/dbraw/zinc/82/61/94/1091826194.db2.gz LISLPNKTLLFWEQ-SJLPKXTDSA-N 2 0 347.503 2.267 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC001439182857 1091831695 /nfs/dbraw/zinc/83/16/95/1091831695.db2.gz UZTZFLBFNHYGKW-AEFFLSMTSA-N 2 0 347.503 2.472 10 0 EEAERP CCc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001445936251 1091869673 /nfs/dbraw/zinc/86/96/73/1091869673.db2.gz KYIGELXGEOVVCG-OALUTQOASA-N 2 0 329.488 2.328 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001439414973 1092183505 /nfs/dbraw/zinc/18/35/05/1092183505.db2.gz CUTFTFITASANSX-FUHWJXTLSA-N 2 0 332.492 2.106 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001439415997 1092185130 /nfs/dbraw/zinc/18/51/30/1092185130.db2.gz FYVSPKDUCOXHSG-NVXWUHKLSA-N 2 0 348.491 2.089 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001439426272 1092192559 /nfs/dbraw/zinc/19/25/59/1092192559.db2.gz WGKCNINFAHDCCS-OALUTQOASA-N 2 0 346.519 2.495 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001439478172 1092278473 /nfs/dbraw/zinc/27/84/73/1092278473.db2.gz UOYVOXUOZGXOAC-RHSMWYFYSA-N 2 0 345.422 2.113 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC001446268906 1092416285 /nfs/dbraw/zinc/41/62/85/1092416285.db2.gz VBPIKIONMLSVIX-RHSMWYFYSA-N 2 0 348.466 2.080 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001439639769 1092564209 /nfs/dbraw/zinc/56/42/09/1092564209.db2.gz NVVRJAYXAUPBSF-KRWDZBQOSA-N 2 0 333.451 2.393 10 0 EEAERP Cc1ncccc1C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001439710767 1092669779 /nfs/dbraw/zinc/66/97/79/1092669779.db2.gz UFHXPTKCRKCIHL-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cn(C(C)C)nc1C ZINC001439791485 1092749922 /nfs/dbraw/zinc/74/99/22/1092749922.db2.gz VYOZEZVDUDZHMC-SFHVURJKSA-N 2 0 349.523 2.195 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nocc1C ZINC001439827706 1092819140 /nfs/dbraw/zinc/81/91/40/1092819140.db2.gz VOGHMGVJJXRCCO-SJORKVTESA-N 2 0 348.491 2.280 10 0 EEAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](Cc2cc(C)no2)C1)[NH+](C)C ZINC001439928796 1093009896 /nfs/dbraw/zinc/00/98/96/1093009896.db2.gz BCGRWGDGVDCGCU-SJLPKXTDSA-N 2 0 336.480 2.042 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1oc(C)nc1C)C2 ZINC001440111402 1093171669 /nfs/dbraw/zinc/17/16/69/1093171669.db2.gz NVBLWOVZAMRZPS-ULQDDVLXSA-N 2 0 348.491 2.102 10 0 EEAERP Cc1cncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001440116632 1093177949 /nfs/dbraw/zinc/17/79/49/1093177949.db2.gz FYCBJYVNCOVNQO-WMZOPIPTSA-N 2 0 332.492 2.057 10 0 EEAERP CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)Cc1ccccc1 ZINC001448460722 1093471142 /nfs/dbraw/zinc/47/11/42/1093471142.db2.gz CRLLQHQOPXLEPJ-OWZKRDHZSA-N 2 0 341.499 2.213 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001440405982 1093595888 /nfs/dbraw/zinc/59/58/88/1093595888.db2.gz KOXCADJZDYTKLI-DLBZAZTESA-N 2 0 332.492 2.105 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001440410488 1093603366 /nfs/dbraw/zinc/60/33/66/1093603366.db2.gz LJDBWQQIKMKJLF-YESZJQIVSA-N 2 0 348.491 2.008 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC001440409564 1093603559 /nfs/dbraw/zinc/60/35/59/1093603559.db2.gz JQOYCQUGJNUPLV-FUHWJXTLSA-N 2 0 332.492 2.106 10 0 EEAERP CCN1CCO[C@H](C(=O)NCC[C@@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001448561444 1093608786 /nfs/dbraw/zinc/60/87/86/1093608786.db2.gz MFXPRACPPPWECC-MOPGFXCFSA-N 2 0 347.503 2.028 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001440443722 1093651790 /nfs/dbraw/zinc/65/17/90/1093651790.db2.gz BJXRUNRCZCGIPY-ZWKOTPCHSA-N 2 0 333.476 2.116 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448659144 1093727107 /nfs/dbraw/zinc/72/71/07/1093727107.db2.gz QSBBFSTYLUWNAU-SJLPKXTDSA-N 2 0 332.492 2.199 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1N(C)C ZINC001448679712 1093746148 /nfs/dbraw/zinc/74/61/48/1093746148.db2.gz GYWGJOWNJIIDOA-QFBILLFUSA-N 2 0 346.519 2.173 10 0 EEAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]Cc1ccccc1 ZINC001448685199 1093749373 /nfs/dbraw/zinc/74/93/73/1093749373.db2.gz ROROIQIDQIZNCU-KRWDZBQOSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1cc(CN[C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)no1 ZINC001448705906 1093772057 /nfs/dbraw/zinc/77/20/57/1093772057.db2.gz UVKPYJIAMXABAH-PBHICJAKSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001448723475 1093794879 /nfs/dbraw/zinc/79/48/79/1093794879.db2.gz FYASARBASMEKDX-PBHICJAKSA-N 2 0 336.480 2.182 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC001448765289 1093839596 /nfs/dbraw/zinc/83/95/96/1093839596.db2.gz QYOOOFAURORTMH-GFCCVEGCSA-N 2 0 326.510 2.038 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)ccc1C ZINC001448774491 1093853197 /nfs/dbraw/zinc/85/31/97/1093853197.db2.gz JSHGLJJENBVKBA-INIZCTEOSA-N 2 0 335.492 2.280 10 0 EEAERP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1cncs1 ZINC001440655891 1093928680 /nfs/dbraw/zinc/92/86/80/1093928680.db2.gz YZKMMRQQYLXQIB-UONOGXRCSA-N 2 0 336.505 2.097 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1cncs1 ZINC001440655892 1093928873 /nfs/dbraw/zinc/92/88/73/1093928873.db2.gz YZKMMRQQYLXQIB-ZIAGYGMSSA-N 2 0 336.505 2.097 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001448976953 1093980841 /nfs/dbraw/zinc/98/08/41/1093980841.db2.gz HKRUEKKQCKVKCF-DYVFJYSZSA-N 2 0 339.430 2.386 10 0 EEAERP CCc1onc(C)c1C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001449009483 1094010660 /nfs/dbraw/zinc/01/06/60/1094010660.db2.gz JKVFBSWHQJKJQK-MJGOQNOKSA-N 2 0 348.491 2.110 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001440805368 1094052085 /nfs/dbraw/zinc/05/20/85/1094052085.db2.gz ZYDFDTJOYZKKCC-CHWSQXEVSA-N 2 0 339.430 2.432 10 0 EEAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CCc1ccns1 ZINC001440966103 1094223904 /nfs/dbraw/zinc/22/39/04/1094223904.db2.gz DSQBSTFKSHDBNA-CQSZACIVSA-N 2 0 340.537 2.100 10 0 EEAERP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441281059 1094701009 /nfs/dbraw/zinc/70/10/09/1094701009.db2.gz AZOJCSHMSQHMCS-IRXDYDNUSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]32)CCC1 ZINC001441310320 1094763291 /nfs/dbraw/zinc/76/32/91/1094763291.db2.gz PNBSSAWJWVVTOQ-NNZMDNLPSA-N 2 0 345.462 2.104 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ocnc3C)C[C@H]2C1 ZINC001441331916 1094796417 /nfs/dbraw/zinc/79/64/17/1094796417.db2.gz BMYLVKAXUMESKR-GVDBMIGSSA-N 2 0 348.491 2.042 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001441338484 1094822724 /nfs/dbraw/zinc/82/27/24/1094822724.db2.gz JIULIXWYASPKGX-FGTMMUONSA-N 2 0 339.499 2.439 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001441374663 1094908233 /nfs/dbraw/zinc/90/82/33/1094908233.db2.gz ZTSBNDVRVNWTQX-DEYYWGMASA-N 2 0 333.451 2.249 10 0 EEAERP Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001441388325 1094941830 /nfs/dbraw/zinc/94/18/30/1094941830.db2.gz ZXYRSYYNZDWKJQ-KZNAEPCWSA-N 2 0 330.476 2.001 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[NH+](CC)CC ZINC001441410768 1094990426 /nfs/dbraw/zinc/99/04/26/1094990426.db2.gz FOQINJKLOXUQQG-BRWVUGGUSA-N 2 0 336.455 2.078 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001441629196 1095510361 /nfs/dbraw/zinc/51/03/61/1095510361.db2.gz SMUJENBFVQDCBS-YOEHRIQHSA-N 2 0 327.488 2.293 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@H]1C ZINC001441822758 1095864270 /nfs/dbraw/zinc/86/42/70/1095864270.db2.gz JBYBUOZPYXIOLK-HUUCEWRRSA-N 2 0 344.459 2.249 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001441844050 1095921697 /nfs/dbraw/zinc/92/16/97/1095921697.db2.gz QFYPQELOIDMUMJ-LSDHHAIUSA-N 2 0 333.476 2.335 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001441929033 1096115732 /nfs/dbraw/zinc/11/57/32/1096115732.db2.gz LWGJAHGZFCGYDP-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)c1 ZINC001442551691 1096914343 /nfs/dbraw/zinc/91/43/43/1096914343.db2.gz ISGDPFBHSDKLBS-IEBWSBKVSA-N 2 0 345.487 2.260 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cccnc1C ZINC001442756611 1097132085 /nfs/dbraw/zinc/13/20/85/1097132085.db2.gz QEYZJFJBCUVPTQ-IYBDPMFKSA-N 2 0 332.492 2.201 10 0 EEAERP CCCN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1conc1C ZINC001442961721 1097382757 /nfs/dbraw/zinc/38/27/57/1097382757.db2.gz ZWMPFPAVIQSUNQ-ZWKOTPCHSA-N 2 0 348.491 2.328 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCc2ccccc21 ZINC001442975317 1097398916 /nfs/dbraw/zinc/39/89/16/1097398916.db2.gz SHKHUYRUJDAIBF-HKUYNNGSSA-N 2 0 329.488 2.454 10 0 EEAERP COc1ccc(C[N@H+](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C2CC2)cc1 ZINC001443043081 1097451768 /nfs/dbraw/zinc/45/17/68/1097451768.db2.gz IYSDTSWOBOXVJQ-KRWDZBQOSA-N 2 0 345.487 2.118 10 0 EEAERP C[C@H](c1cccc(F)c1)[N@H+](CCNC(=O)Cn1ccnc1)C1CC1 ZINC001443070806 1097482031 /nfs/dbraw/zinc/48/20/31/1097482031.db2.gz ZVXFLRDANOAYNL-CQSZACIVSA-N 2 0 330.407 2.364 10 0 EEAERP CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001443097145 1097512042 /nfs/dbraw/zinc/51/20/42/1097512042.db2.gz HHTDEKHZWHNWAR-LPHOPBHVSA-N 2 0 329.488 2.454 10 0 EEAERP CCc1cccc(OCC[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001443417254 1097918951 /nfs/dbraw/zinc/91/89/51/1097918951.db2.gz MAXIVFAYUBFCSJ-GOSISDBHSA-N 2 0 347.503 2.160 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ocnc1C ZINC001443947913 1098467488 /nfs/dbraw/zinc/46/74/88/1098467488.db2.gz DMTMTIPDIVFRMP-HZPDHXFCSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC[C@@H]1CCCCO1 ZINC001444011716 1098528257 /nfs/dbraw/zinc/52/82/57/1098528257.db2.gz WHKCGKADHQCEBY-ROUUACIJSA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC[C@H]1CCCCO1 ZINC001444011719 1098528374 /nfs/dbraw/zinc/52/83/74/1098528374.db2.gz WHKCGKADHQCEBY-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1OCC ZINC001479543147 1098601922 /nfs/dbraw/zinc/60/19/22/1098601922.db2.gz LCIHXVMKZUNFSY-RTBURBONSA-N 2 0 347.503 2.225 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001479706874 1098782705 /nfs/dbraw/zinc/78/27/05/1098782705.db2.gz RXYZSGKUVVLXDR-SQNIBIBYSA-N 2 0 339.524 2.111 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001444240663 1098802842 /nfs/dbraw/zinc/80/28/42/1098802842.db2.gz NYDFMJDMPNEBOK-QZTJIDSGSA-N 2 0 335.467 2.447 10 0 EEAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H]1CC[C@H](C)O1 ZINC001479850485 1099147328 /nfs/dbraw/zinc/14/73/28/1099147328.db2.gz BYZCURIMQTXFEH-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001480088411 1099647290 /nfs/dbraw/zinc/64/72/90/1099647290.db2.gz YXAIIBWNNBITOZ-UONOGXRCSA-N 2 0 335.414 2.061 10 0 EEAERP C[C@@H](F)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001444844659 1099819557 /nfs/dbraw/zinc/81/95/57/1099819557.db2.gz ZYHLMKMNCLTXMU-WBVHZDCISA-N 2 0 327.488 2.247 10 0 EEAERP Cc1cc(C[NH2+][C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)C)on1 ZINC001444874508 1099884553 /nfs/dbraw/zinc/88/45/53/1099884553.db2.gz PNAUFTRTASMWCZ-IAGOWNOFSA-N 2 0 336.480 2.086 10 0 EEAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001480384429 1100181595 /nfs/dbraw/zinc/18/15/95/1100181595.db2.gz WBFWNPKXBJKXCI-HUUCEWRRSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001480462008 1100266596 /nfs/dbraw/zinc/26/65/96/1100266596.db2.gz DWMIDSDQIJEXFE-APWZRJJASA-N 2 0 329.488 2.240 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001445229891 1100482130 /nfs/dbraw/zinc/48/21/30/1100482130.db2.gz XGPSQCBLJRAWMV-GTPINHCMSA-N 2 0 325.472 2.334 10 0 EEAERP O=C(N[C@H](C[NH2+]CCF)C1CCCCC1)C12CCC[NH+]1CCC2 ZINC001496311342 1100902337 /nfs/dbraw/zinc/90/23/37/1100902337.db2.gz HROZDWSEJKHZLI-MRXNPFEDSA-N 2 0 325.472 2.239 10 0 EEAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CCCCC1 ZINC001496325648 1100921467 /nfs/dbraw/zinc/92/14/67/1100921467.db2.gz JFXRAXOPQLDHRC-FUHWJXTLSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001496349537 1100943904 /nfs/dbraw/zinc/94/39/04/1100943904.db2.gz CWUPNGLHDPLGEF-SJLPKXTDSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1ncsc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001496375228 1100967941 /nfs/dbraw/zinc/96/79/41/1100967941.db2.gz LBBQMHLSTOGKLF-HIFRSBDPSA-N 2 0 338.521 2.118 10 0 EEAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496416107 1101009763 /nfs/dbraw/zinc/00/97/63/1101009763.db2.gz JDYWNUFCZUOLJY-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)sn1 ZINC001496484476 1101076048 /nfs/dbraw/zinc/07/60/48/1101076048.db2.gz XAWNCMBRVCVDRF-CZUORRHYSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001495363448 1101078681 /nfs/dbraw/zinc/07/86/81/1101078681.db2.gz NIKLNVAHCCSVMC-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001495430022 1101148204 /nfs/dbraw/zinc/14/82/04/1101148204.db2.gz DHSMTSCXBYEZTR-CVEARBPZSA-N 2 0 327.488 2.295 10 0 EEAERP Cc1ncccc1C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001495444764 1101158226 /nfs/dbraw/zinc/15/82/26/1101158226.db2.gz JTOOMHYWKNNCIH-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN(Cc2nocc2C)C1 ZINC001446704482 1101270243 /nfs/dbraw/zinc/27/02/43/1101270243.db2.gz YKNYTECHMJJKAZ-SFHVURJKSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]Cc1nc2ccccc2o1 ZINC001495682539 1101430029 /nfs/dbraw/zinc/43/00/29/1101430029.db2.gz FJPWLEKVPHWFGO-AWEZNQCLSA-N 2 0 344.459 2.154 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001446973264 1101684694 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327.419 2.416 10 0 EEAERP CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001447429781 1102637603 /nfs/dbraw/zinc/63/76/03/1102637603.db2.gz KGBVYYAHJWKUEZ-QFBILLFUSA-N 2 0 329.488 2.281 10 0 EEAERP Cc1cncn1CC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C(C)C ZINC001447433849 1102646166 /nfs/dbraw/zinc/64/61/66/1102646166.db2.gz MZIZRDBWODAFRM-GOSISDBHSA-N 2 0 326.444 2.143 10 0 EEAERP O=C(NC/C=C/C[NH2+]C[C@@H]1CCOC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497662002 1102850520 /nfs/dbraw/zinc/85/05/20/1102850520.db2.gz IUDPNQBWRAYNOB-HWUNFHLVSA-N 2 0 349.519 2.082 10 0 EEAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001497728416 1102976730 /nfs/dbraw/zinc/97/67/30/1102976730.db2.gz SAEUVLKRCTYGHD-IDOMTICXSA-N 2 0 327.472 2.414 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cncc(F)c2)C1 ZINC001497733536 1102983568 /nfs/dbraw/zinc/98/35/68/1102983568.db2.gz YPJYUKJKFCDVNY-NDIJEHHESA-N 2 0 348.466 2.103 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+][C@@H]1CCc2c1c(F)ccc2F 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SOMFPJHAUPVBLE-MBNRZODZSA-N 2 0 329.488 2.480 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001447863124 1103470658 /nfs/dbraw/zinc/47/06/58/1103470658.db2.gz YUMHYEUHTADHQM-WDEREUQCSA-N 2 0 335.477 2.099 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001447908183 1103569738 /nfs/dbraw/zinc/56/97/38/1103569738.db2.gz SMTRSXAMWDEIFU-NWDGAFQWSA-N 2 0 326.510 2.085 10 0 EEAERP CC[C@H](F)C[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001447942042 1103653149 /nfs/dbraw/zinc/65/31/49/1103653149.db2.gz NEYBYHVLHGHQQV-FHERZECASA-N 2 0 327.488 2.436 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CCN(C)C(=O)C[NH+]2CCCC2)C(C)C)co1 ZINC001448219150 1104200883 /nfs/dbraw/zinc/20/08/83/1104200883.db2.gz IVEDVXFABFGWOJ-KRWDZBQOSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCOC(C)C)C2)CC[N@@H+]1C ZINC001494826761 1104420896 /nfs/dbraw/zinc/42/08/96/1104420896.db2.gz ICPXMBCEYMKIRB-OKZBNKHCSA-N 2 0 339.524 2.065 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(C)ccc1OC ZINC001494981541 1104624516 /nfs/dbraw/zinc/62/45/16/1104624516.db2.gz PXYRJYGHBGKIBB-BPQIPLTHSA-N 2 0 347.503 2.328 10 0 EEAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001494995698 1104637436 /nfs/dbraw/zinc/63/74/36/1104637436.db2.gz XJWAODPCGZXTAV-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(C)ccc1OC ZINC001495059512 1104696412 /nfs/dbraw/zinc/69/64/12/1104696412.db2.gz UYPHYOUHYIJLQF-WMZOPIPTSA-N 2 0 347.503 2.330 10 0 EEAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cnc(C)cn1 ZINC001495069494 1104709482 /nfs/dbraw/zinc/70/94/82/1104709482.db2.gz YOPDUVOWHSKUHR-AEFFLSMTSA-N 2 0 347.507 2.032 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001497992030 1106748020 /nfs/dbraw/zinc/74/80/20/1106748020.db2.gz AGYYLEBSBNJJRA-HIFRSBDPSA-N 2 0 331.451 2.246 10 0 EEAERP C[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498044029 1106828607 /nfs/dbraw/zinc/82/86/07/1106828607.db2.gz PXDDUKOUGYJCNU-KRWDZBQOSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001498197725 1107063080 /nfs/dbraw/zinc/06/30/80/1107063080.db2.gz VFDFIALFANSFEY-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccn(C)n1 ZINC001480776160 1107094964 /nfs/dbraw/zinc/09/49/64/1107094964.db2.gz KQQUCVDXGTXONY-OAHLLOKOSA-N 2 0 349.523 2.058 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)co1 ZINC001480794026 1107128158 /nfs/dbraw/zinc/12/81/58/1107128158.db2.gz UPUXVNHDZHLJHR-CABCVRRESA-N 2 0 336.480 2.232 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001498286656 1107218193 /nfs/dbraw/zinc/21/81/93/1107218193.db2.gz BNRGWDKIVARKQD-AEGPPILISA-N 2 0 331.451 2.199 10 0 EEAERP CC(C)(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+]1CCCCC1 ZINC001498760632 1108044804 /nfs/dbraw/zinc/04/48/04/1108044804.db2.gz ORWBBDKNUPLUMI-AJHXJQRKSA-N 2 0 327.900 2.488 10 0 EEAERP Cc1ccc(CC[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001493434813 1108152363 /nfs/dbraw/zinc/15/23/63/1108152363.db2.gz CXDNSABVGIJVAM-UHFFFAOYSA-N 2 0 341.499 2.214 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1cc(F)ccc1F)C1CC1)C12CC[NH+](CC1)C2 ZINC001498857911 1108231517 /nfs/dbraw/zinc/23/15/17/1108231517.db2.gz JXEHSYLQTSYJIO-QGZVFWFLSA-N 2 0 349.425 2.045 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCCC(F)(F)F)C2CC2)C1 ZINC001498861490 1108237938 /nfs/dbraw/zinc/23/79/38/1108237938.db2.gz DMXZRXUIIBPKGY-KGLIPLIRSA-N 2 0 335.414 2.155 10 0 EEAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493727482 1108576904 /nfs/dbraw/zinc/57/69/04/1108576904.db2.gz YAVDNDRJVRYBQQ-WBVHZDCISA-N 2 0 348.491 2.110 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C[C@@H]1CCCCO1 ZINC001493860691 1108749953 /nfs/dbraw/zinc/74/99/53/1108749953.db2.gz OBXDMKNDWZUYQJ-KRWDZBQOSA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001456039325 1109058385 /nfs/dbraw/zinc/05/83/85/1109058385.db2.gz AUAKXVPCWHMKJC-ZWKOTPCHSA-N 2 0 327.472 2.109 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001479260585 1110670765 /nfs/dbraw/zinc/67/07/65/1110670765.db2.gz WTBZTHLWOXFULX-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC([N@H+](CCCF)CC2CC2)CC1 ZINC001499530699 1112346670 /nfs/dbraw/zinc/34/66/70/1112346670.db2.gz XNVDUELYYSBSPV-UHFFFAOYSA-N 2 0 325.472 2.145 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1cccc(C)c1)[NH+](C)C ZINC001499944740 1112550871 /nfs/dbraw/zinc/55/08/71/1112550871.db2.gz PJCHMYICYBFVQQ-PKOBYXMFSA-N 2 0 347.503 2.295 10 0 EEAERP CO[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001499950821 1112553024 /nfs/dbraw/zinc/55/30/24/1112553024.db2.gz NTRKCTGRRKJTNE-RBUKOAKNSA-N 2 0 345.487 2.051 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001499955144 1112554817 /nfs/dbraw/zinc/55/48/17/1112554817.db2.gz NYXPRKFMFVENHK-INIZCTEOSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1oncc1C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001500111928 1112622294 /nfs/dbraw/zinc/62/22/94/1112622294.db2.gz RNKZUQDIJAVCNB-KBXCAEBGSA-N 2 0 348.491 2.089 10 0 EEAERP O=C(N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF)C12CC[NH+](CC1)C2 ZINC001500151330 1112639653 /nfs/dbraw/zinc/63/96/53/1112639653.db2.gz CETJQMSDLZIBGT-SJORKVTESA-N 2 0 337.483 2.287 10 0 EEAERP CCOCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001500441326 1112834731 /nfs/dbraw/zinc/83/47/31/1112834731.db2.gz DGWHLTKULUURKI-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001501625766 1113404090 /nfs/dbraw/zinc/40/40/90/1113404090.db2.gz QQZOVTSNBDUQTR-IAGOWNOFSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001501638626 1113410115 /nfs/dbraw/zinc/41/01/15/1113410115.db2.gz YMSNWWNLGCCLHE-MOPGFXCFSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501647755 1113414394 /nfs/dbraw/zinc/41/43/94/1113414394.db2.gz PMWSEMWJKATYMR-AEFFLSMTSA-N 2 0 347.478 2.414 10 0 EEAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001502140050 1113613201 /nfs/dbraw/zinc/61/32/01/1113613201.db2.gz IMYVWRUXJRYNEE-SFHVURJKSA-N 2 0 349.523 2.219 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001502147309 1113616232 /nfs/dbraw/zinc/61/62/32/1113616232.db2.gz GUAMYUGQGBJSIS-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C)o1 ZINC001503022675 1113872919 /nfs/dbraw/zinc/87/29/19/1113872919.db2.gz CTUADLSAMRYCOA-RDJZCZTQSA-N 2 0 348.491 2.328 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CCc1ccccc1 ZINC001505465314 1114000593 /nfs/dbraw/zinc/00/05/93/1114000593.db2.gz HJWLWKGSUDMVIP-IBGZPJMESA-N 2 0 331.504 2.492 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505631267 1114096453 /nfs/dbraw/zinc/09/64/53/1114096453.db2.gz AGEQZGLZUIXRJI-IAGOWNOFSA-N 2 0 344.503 2.249 10 0 EEAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001505681209 1114128170 /nfs/dbraw/zinc/12/81/70/1114128170.db2.gz KNSWMVBAQZSFQA-UONOGXRCSA-N 2 0 344.459 2.152 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505760105 1114174839 /nfs/dbraw/zinc/17/48/39/1114174839.db2.gz GOIFEGDLAJMAJX-SJORKVTESA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001505944684 1114293500 /nfs/dbraw/zinc/29/35/00/1114293500.db2.gz XHEBUDNRHNESRU-GXTWGEPZSA-N 2 0 326.872 2.012 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506741272 1114852046 /nfs/dbraw/zinc/85/20/46/1114852046.db2.gz FHXWGOHPDOHQOB-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001506891959 1114954191 /nfs/dbraw/zinc/95/41/91/1114954191.db2.gz NPQRDXPTGIFZSF-XUXIUFHCSA-N 2 0 335.414 2.154 10 0 EEAERP C[C@H](CCC[NH2+]Cc1noc2c1CCCC2)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506914087 1114969002 /nfs/dbraw/zinc/96/90/02/1114969002.db2.gz MPVKLDZHXCYWLV-PBHICJAKSA-N 2 0 348.491 2.022 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507127920 1115122504 /nfs/dbraw/zinc/12/25/04/1115122504.db2.gz SULUNNNOPHUWMB-HOTGVXAUSA-N 2 0 349.523 2.051 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507127922 1115122729 /nfs/dbraw/zinc/12/27/29/1115122729.db2.gz SULUNNNOPHUWMB-JKSUJKDBSA-N 2 0 349.523 2.051 10 0 EEAERP Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001507128390 1115123109 /nfs/dbraw/zinc/12/31/09/1115123109.db2.gz VDEQBXZQPZFLOQ-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP CC(C)Oc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001507154981 1115137436 /nfs/dbraw/zinc/13/74/36/1115137436.db2.gz PJFBMAYCSBMJCB-FUHWJXTLSA-N 2 0 347.503 2.362 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001507346300 1115208823 /nfs/dbraw/zinc/20/88/23/1115208823.db2.gz UDMPKDKNWPKDIF-ZMSDIMECSA-N 2 0 331.451 2.139 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001507356165 1115218975 /nfs/dbraw/zinc/21/89/75/1115218975.db2.gz OTVQBPOUTWVBIL-FUHWJXTLSA-N 2 0 325.472 2.335 10 0 EEAERP COc1ccc(CC[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001507381452 1115240486 /nfs/dbraw/zinc/24/04/86/1115240486.db2.gz IPKNGYLMUDKOTL-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508019682 1115389442 /nfs/dbraw/zinc/38/94/42/1115389442.db2.gz CUMVKNIKVPRFDT-IAGOWNOFSA-N 2 0 341.540 2.406 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001508023858 1115391201 /nfs/dbraw/zinc/39/12/01/1115391201.db2.gz DXUFHKHSVKNZOP-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508089639 1115417177 /nfs/dbraw/zinc/41/71/77/1115417177.db2.gz YDNNEDUGBTZVLR-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001508136562 1115425356 /nfs/dbraw/zinc/42/53/56/1115425356.db2.gz YNKXAVMJRSCIRO-NFOMZHRRSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001543197895 1124123931 /nfs/dbraw/zinc/12/39/31/1124123931.db2.gz DWYASOVFAFXXKF-DOTOQJQBSA-N 2 0 346.523 2.134 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC001567929169 1124187629 /nfs/dbraw/zinc/18/76/29/1124187629.db2.gz XZJNVDPRBWPQIG-QZTJIDSGSA-N 2 0 339.524 2.209 10 0 EEAERP C[C@@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568291794 1124408390 /nfs/dbraw/zinc/40/83/90/1124408390.db2.gz QJPUKNXTTQGHAA-SUMWQHHRSA-N 2 0 339.430 2.038 10 0 EEAERP C[C@@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568308577 1124414728 /nfs/dbraw/zinc/41/47/28/1124414728.db2.gz FFWVHTUTJPWCRR-ZDUSSCGKSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001568367537 1124440858 /nfs/dbraw/zinc/44/08/58/1124440858.db2.gz HNZMDGCBGAFMDN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001568632585 1124646790 /nfs/dbraw/zinc/64/67/90/1124646790.db2.gz OJBVISDALHUDFC-HDMKZQKVSA-N 2 0 333.476 2.020 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncccc1C ZINC001568639620 1124653160 /nfs/dbraw/zinc/65/31/60/1124653160.db2.gz VJZCRMJPHJZTTL-WMZOPIPTSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@H](C[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001568651110 1124662067 /nfs/dbraw/zinc/66/20/67/1124662067.db2.gz JOCMGBACSIEMJR-CZUORRHYSA-N 2 0 332.448 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cc(C)no2)C1 ZINC001568669571 1124684059 /nfs/dbraw/zinc/68/40/59/1124684059.db2.gz SMOIVQGJDVZIKA-HOCLYGCPSA-N 2 0 336.480 2.089 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568741520 1124754363 /nfs/dbraw/zinc/75/43/63/1124754363.db2.gz AOGZWCNFBMZZRQ-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP CCN(CC[NH2+]Cc1ccccc1OC(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568797637 1124811655 /nfs/dbraw/zinc/81/16/55/1124811655.db2.gz JPHQUEJLFPSPLF-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001568851374 1124870433 /nfs/dbraw/zinc/87/04/33/1124870433.db2.gz CDFBKLJMUWNRQC-WXFDERKXSA-N 2 0 344.503 2.307 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001565856100 1125437572 /nfs/dbraw/zinc/43/75/72/1125437572.db2.gz DSMPMLOHMJRTBC-AQNXPRMDSA-N 2 0 343.515 2.364 10 0 EEAERP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072430580 216223157 /nfs/dbraw/zinc/22/31/57/216223157.db2.gz JZDHDUPDDSEVCI-SFHVURJKSA-N 2 0 345.487 2.205 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000422935398 240297012 /nfs/dbraw/zinc/29/70/12/240297012.db2.gz AHUGEMDSRCHFMY-ZDUSSCGKSA-N 2 0 331.254 2.171 10 0 EEAERP COC[C@H](CCC[NH3+])Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000422955676 240306089 /nfs/dbraw/zinc/30/60/89/240306089.db2.gz MXGPRGZWXLVUSF-BXWFABGCSA-N 2 0 335.492 2.462 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422836116 240252434 /nfs/dbraw/zinc/25/24/34/240252434.db2.gz ZTPKFIDEMFVORK-WHOFXGATSA-N 2 0 327.266 2.334 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422836113 240252619 /nfs/dbraw/zinc/25/26/19/240252619.db2.gz ZTPKFIDEMFVORK-CORIIIEPSA-N 2 0 327.266 2.334 10 0 EEAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000447593960 242292754 /nfs/dbraw/zinc/29/27/54/242292754.db2.gz WBEKBZKMSXQEEM-CYBMUJFWSA-N 2 0 337.855 2.150 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000078543243 217071567 /nfs/dbraw/zinc/07/15/67/217071567.db2.gz CGZYHCHZHHZODZ-PBHICJAKSA-N 2 0 338.471 2.458 10 0 EEAERP CCN(C[C@H]1CC[N@H+](CC)C1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065423572 285089529 /nfs/dbraw/zinc/08/95/29/285089529.db2.gz KZTQBOGBQFAWPM-HNNXBMFYSA-N 2 0 327.476 2.299 10 0 EEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)nc2ccccc21 ZINC000247020764 256015398 /nfs/dbraw/zinc/01/53/98/256015398.db2.gz SMFHCKRCWXYWJU-CVEARBPZSA-N 2 0 326.444 2.430 10 0 EEAERP CN(c1ccccc1C[NH2+]C[C@H]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000248968253 160369552 /nfs/dbraw/zinc/36/95/52/160369552.db2.gz CCQQVVUGPXWWQM-QFBILLFUSA-N 2 0 331.504 2.468 10 0 EEAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000130091525 292367795 /nfs/dbraw/zinc/36/77/95/292367795.db2.gz WUWBGJHTFLSINM-SQNIBIBYSA-N 2 0 338.540 2.336 10 0 EEAERP CC1CC[NH+](CCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106455084 159315544 /nfs/dbraw/zinc/31/55/44/159315544.db2.gz LLJNBSOFAHRRLN-LJQANCHMSA-N 2 0 331.504 2.398 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000119308351 159377004 /nfs/dbraw/zinc/37/70/04/159377004.db2.gz IFWRVSKHSKVGPM-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000120116756 159386488 /nfs/dbraw/zinc/38/64/88/159386488.db2.gz FBELUDVXCUVYDM-KRWDZBQOSA-N 2 0 327.472 2.219 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194662427 160198160 /nfs/dbraw/zinc/19/81/60/160198160.db2.gz ZSGZNAQPSBDOEF-QGZVFWFLSA-N 2 0 336.524 2.378 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1F ZINC000245666540 160247071 /nfs/dbraw/zinc/24/70/71/160247071.db2.gz DWBHWPIUASEKRF-SJORKVTESA-N 2 0 348.466 2.265 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccn1 ZINC000245830484 160253266 /nfs/dbraw/zinc/25/32/66/160253266.db2.gz BRAFDZROGZRUDN-QXAKKESOSA-N 2 0 345.487 2.459 10 0 EEAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000359361938 164120228 /nfs/dbraw/zinc/12/02/28/164120228.db2.gz AWYFQBVSEPIYHE-SJLPKXTDSA-N 2 0 333.451 2.454 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccnn3-c3ccccc3)C2)CC1 ZINC000369093704 166188846 /nfs/dbraw/zinc/18/88/46/166188846.db2.gz XBEACRJXCJURBB-KRWDZBQOSA-N 2 0 339.487 2.130 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](CC)CC ZINC000275572476 269126144 /nfs/dbraw/zinc/12/61/44/269126144.db2.gz FIGVAUQKSRDXKC-RBUKOAKNSA-N 2 0 346.519 2.482 10 0 EEAERP CN(CC1([NH+](C)C)CCC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000275681919 269135235 /nfs/dbraw/zinc/13/52/35/269135235.db2.gz UMMIBPRJNHTUDA-UHFFFAOYSA-N 2 0 333.476 2.183 10 0 EEAERP CN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275691572 269135750 /nfs/dbraw/zinc/13/57/50/269135750.db2.gz WFUMSGDWDAPBFO-GOSISDBHSA-N 2 0 344.503 2.387 10 0 EEAERP COCC[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000278688661 274389904 /nfs/dbraw/zinc/38/99/04/274389904.db2.gz KIAVHXCRWGXZCH-BURNTYAHSA-N 2 0 343.515 2.492 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000422914003 279082234 /nfs/dbraw/zinc/08/22/34/279082234.db2.gz ZPSIRBXPZSXZEE-DNVCBOLYSA-N 2 0 340.471 2.199 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000247529192 297098592 /nfs/dbraw/zinc/09/85/92/297098592.db2.gz XJDROFZFMQTHTL-JLSDUUJJSA-N 2 0 348.466 2.307 10 0 EEAERP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CCN1CC[NH2+]CC1)CCCC2 ZINC000423201166 304850417 /nfs/dbraw/zinc/85/04/17/304850417.db2.gz HUZPBJXCEKPDBI-IBGZPJMESA-N 2 0 329.488 2.274 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333111273 312094073 /nfs/dbraw/zinc/09/40/73/312094073.db2.gz DZYDNHKAUPXGBF-INIZCTEOSA-N 2 0 345.491 2.010 10 0 EEAERP CC1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H]1C(F)(F)F ZINC000414758233 313078672 /nfs/dbraw/zinc/07/86/72/313078672.db2.gz MKOBEZCKJKSBPE-OLZOCXBDSA-N 2 0 335.414 2.094 10 0 EEAERP CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414888301 313106531 /nfs/dbraw/zinc/10/65/31/313106531.db2.gz REWFWAHUBSBRLA-SJPCQFCGSA-N 2 0 346.475 2.374 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416789040 313317111 /nfs/dbraw/zinc/31/71/11/313317111.db2.gz CRPPHNUKNMANEO-KDURUIRLSA-N 2 0 342.487 2.187 10 0 EEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416794559 313318503 /nfs/dbraw/zinc/31/85/03/313318503.db2.gz PWYONNFZRLOJFH-HKUYNNGSSA-N 2 0 342.487 2.044 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000416978942 313380995 /nfs/dbraw/zinc/38/09/95/313380995.db2.gz GOUMUXCXUZEJAR-YJBOKZPZSA-N 2 0 332.492 2.326 10 0 EEAERP CC(C)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000417014118 313394526 /nfs/dbraw/zinc/39/45/26/313394526.db2.gz ZMPULUQVRDTDGU-MSOLQXFVSA-N 2 0 336.524 2.279 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418748731 313897297 /nfs/dbraw/zinc/89/72/97/313897297.db2.gz LETIOMORWCSODK-OAHLLOKOSA-N 2 0 346.466 2.137 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448851320 315392446 /nfs/dbraw/zinc/39/24/46/315392446.db2.gz CGBVWIAEAKZPHP-MGPQQGTHSA-N 2 0 335.414 2.059 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000527504714 317203725 /nfs/dbraw/zinc/20/37/25/317203725.db2.gz YBAUMYNLOITTBC-UHFFFAOYSA-N 2 0 348.278 2.346 10 0 EEAERP CCC[NH+]1CCN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000531189112 317777224 /nfs/dbraw/zinc/77/72/24/317777224.db2.gz YBDAPCYSXIXFDC-UHFFFAOYSA-N 2 0 348.495 2.018 10 0 EEAERP C[C@]1(CNC(=O)NCC2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000564309566 319077245 /nfs/dbraw/zinc/07/72/45/319077245.db2.gz FKVGHFFCNWNPIQ-HXUWFJFHSA-N 2 0 344.503 2.340 10 0 EEAERP C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000565301400 319170360 /nfs/dbraw/zinc/17/03/60/319170360.db2.gz BLUXQCNBKLWCTA-MDZRGWNJSA-N 2 0 344.503 2.375 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000572346645 319837084 /nfs/dbraw/zinc/83/70/84/319837084.db2.gz HQHVFSMMDNQLMZ-HKUYNNGSSA-N 2 0 330.476 2.074 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000578246744 320304030 /nfs/dbraw/zinc/30/40/30/320304030.db2.gz ZUQUNFHGXYQTOQ-LPHOPBHVSA-N 2 0 329.488 2.355 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000581250027 324214836 /nfs/dbraw/zinc/21/48/36/324214836.db2.gz XPWGRVOQYXVHMN-LPHOPBHVSA-N 2 0 344.503 2.375 10 0 EEAERP Cc1ccc([C@H](Cn2ccnc2)[NH2+]C2CCN(C(N)=O)CC2)c(C)c1 ZINC000358341849 465069395 /nfs/dbraw/zinc/06/93/95/465069395.db2.gz CQNFWYZYMYFUFY-SFHVURJKSA-N 2 0 341.459 2.374 10 0 EEAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(F)(F)CC1 ZINC000347598549 465113394 /nfs/dbraw/zinc/11/33/94/465113394.db2.gz LENIUWARAXHFDW-UHFFFAOYSA-N 2 0 329.435 2.239 10 0 EEAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000339256007 465171810 /nfs/dbraw/zinc/17/18/10/465171810.db2.gz KFRMVVDAFBZPHM-HNNXBMFYSA-N 2 0 332.492 2.384 10 0 EEAERP O=S1(=O)CCC[C@@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868589 465270792 /nfs/dbraw/zinc/27/07/92/465270792.db2.gz HAEHKEQCTWDRNM-ROUUACIJSA-N 2 0 342.549 2.399 10 0 EEAERP CN(CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298291658 465356211 /nfs/dbraw/zinc/35/62/11/465356211.db2.gz HGVKVBSROYIHQA-OAQYLSRUSA-N 2 0 344.547 2.219 10 0 EEAERP CCn1ccnc1CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000298415931 465389364 /nfs/dbraw/zinc/38/93/64/465389364.db2.gz KWOVYFHFPCBHMN-NVXWUHKLSA-N 2 0 341.459 2.365 10 0 EEAERP C[N@@H+](Cc1cc[nH]n1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121186404 463094792 /nfs/dbraw/zinc/09/47/92/463094792.db2.gz VZLINFWGHSHLLA-LJQANCHMSA-N 2 0 328.460 2.287 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000121590967 463164025 /nfs/dbraw/zinc/16/40/25/463164025.db2.gz IRTGJPBJDHNLOT-GJZGRUSLSA-N 2 0 339.505 2.107 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000121591445 463164548 /nfs/dbraw/zinc/16/45/48/463164548.db2.gz IRTGJPBJDHNLOT-HUUCEWRRSA-N 2 0 339.505 2.107 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCCCCC2)C1 ZINC000053906727 463195463 /nfs/dbraw/zinc/19/54/63/463195463.db2.gz PEOWQVDAKZGGDD-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072036211 463481345 /nfs/dbraw/zinc/48/13/45/463481345.db2.gz LGUCDBSJTLZCFF-LJQANCHMSA-N 2 0 344.503 2.292 10 0 EEAERP Cn1ccnc1CC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000105876167 463484887 /nfs/dbraw/zinc/48/48/87/463484887.db2.gz JRLBGZQPVLBETO-KRWDZBQOSA-N 2 0 347.434 2.254 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000152374475 463681915 /nfs/dbraw/zinc/68/19/15/463681915.db2.gz AETYVHIQVVQSPB-QZTJIDSGSA-N 2 0 336.524 2.234 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000170829568 463715924 /nfs/dbraw/zinc/71/59/24/463715924.db2.gz UZOLTFGKZSSSQQ-RTBURBONSA-N 2 0 346.519 2.285 10 0 EEAERP Cc1ccc(NCCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C)nc1 ZINC000193850827 463748290 /nfs/dbraw/zinc/74/82/90/463748290.db2.gz MNCBZMFPXDQRIG-MRXNPFEDSA-N 2 0 335.496 2.468 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000194159798 463805516 /nfs/dbraw/zinc/80/55/16/463805516.db2.gz XZQMSMYBDYVVGF-SJORKVTESA-N 2 0 336.455 2.212 10 0 EEAERP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261958291 463911258 /nfs/dbraw/zinc/91/12/58/463911258.db2.gz PENVMORMPHXHGN-GUDVDZBRSA-N 2 0 344.503 2.319 10 0 EEAERP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCOCC1 ZINC000262082310 463942112 /nfs/dbraw/zinc/94/21/12/463942112.db2.gz TXWWNEJULRYKJJ-QGZVFWFLSA-N 2 0 337.508 2.045 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000186435167 463999367 /nfs/dbraw/zinc/99/93/67/463999367.db2.gz FZIXYFXRADVHFR-SJLPKXTDSA-N 2 0 332.492 2.243 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000263261036 464072632 /nfs/dbraw/zinc/07/26/32/464072632.db2.gz MKKGFFHAYKFTEF-BEKAIBRUSA-N 2 0 341.499 2.470 10 0 EEAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000237111405 464267515 /nfs/dbraw/zinc/26/75/15/464267515.db2.gz BHXSTVLMXKAAOT-MNEFBYGVSA-N 2 0 342.487 2.298 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000174179439 464372756 /nfs/dbraw/zinc/37/27/56/464372756.db2.gz WJAZIBCWIHFFLK-GOSISDBHSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+]1CC=C(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000272104465 464479506 /nfs/dbraw/zinc/47/95/06/464479506.db2.gz PFCZUOHORJISRF-UHFFFAOYSA-N 2 0 342.487 2.344 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1C ZINC000175015680 464480115 /nfs/dbraw/zinc/48/01/15/464480115.db2.gz HZGKKZQMVKAWBO-PMPSAXMXSA-N 2 0 326.529 2.477 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CN1CCOCC1 ZINC000265764893 464678434 /nfs/dbraw/zinc/67/84/34/464678434.db2.gz CRBIFEXIMRBDBD-QGZVFWFLSA-N 2 0 345.487 2.123 10 0 EEAERP CC(=O)c1ccc(NC(=O)CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266752196 464809008 /nfs/dbraw/zinc/80/90/08/464809008.db2.gz OFFFQWFTTYXGFB-UHFFFAOYSA-N 2 0 326.400 2.430 10 0 EEAERP Cc1ncc2n1CC[C@@H](C(=O)NCc1ccc(Cn3ccnc3)cc1)C2 ZINC000351727258 465321579 /nfs/dbraw/zinc/32/15/79/465321579.db2.gz KVYOOSOFJBEIHI-GOSISDBHSA-N 2 0 349.438 2.315 10 0 EEAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000353636461 466029279 /nfs/dbraw/zinc/02/92/79/466029279.db2.gz HNXNDQWCAOTIEK-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000367682603 466489697 /nfs/dbraw/zinc/48/96/97/466489697.db2.gz IKFQOLWMQMGGHA-OALUTQOASA-N 2 0 345.487 2.037 10 0 EEAERP C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310413366 466513615 /nfs/dbraw/zinc/51/36/15/466513615.db2.gz MQDZCNCHUVJASK-GDAAHCPNSA-N 2 0 329.488 2.388 10 0 EEAERP CN1CC[N@H+](C)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347305700 466549631 /nfs/dbraw/zinc/54/96/31/466549631.db2.gz FTLBBOSXKROZDM-VTHDOGFWSA-N 2 0 342.531 2.017 10 0 EEAERP O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417029360 466758627 /nfs/dbraw/zinc/75/86/27/466758627.db2.gz PAGACZZTMQPMRL-MSOLQXFVSA-N 2 0 330.476 2.265 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417217505 466804968 /nfs/dbraw/zinc/80/49/68/466804968.db2.gz DJGZZJAYENXMCJ-OQIJWPOYSA-N 2 0 342.487 2.358 10 0 EEAERP [NH3+]CCCNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000417563068 466883851 /nfs/dbraw/zinc/88/38/51/466883851.db2.gz NBXCZHQDAQGWQX-UHFFFAOYSA-N 2 0 346.519 2.369 10 0 EEAERP C[C@H](C[NH3+])CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417590230 466889862 /nfs/dbraw/zinc/88/98/62/466889862.db2.gz WBPJVIHKWBYAFH-CCNLRDMRSA-N 2 0 330.476 2.076 10 0 EEAERP O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CC[NH+]2CCC1CC2 ZINC000373730312 466902829 /nfs/dbraw/zinc/90/28/29/466902829.db2.gz VTJDILZWNQHDJI-IBGZPJMESA-N 2 0 345.462 2.487 10 0 EEAERP C[N@H+](CCNC(=O)NC[C@@H]([NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000417819022 466943440 /nfs/dbraw/zinc/94/34/40/466943440.db2.gz GDXCZXAKXFKQQV-GOSISDBHSA-N 2 0 344.434 2.257 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000370671547 466961433 /nfs/dbraw/zinc/96/14/33/466961433.db2.gz UCTKWKNZJFZOIB-RLLQIKCJSA-N 2 0 331.504 2.207 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417997302 467017276 /nfs/dbraw/zinc/01/72/76/467017276.db2.gz UDCQVFDPNXKHOH-MORSLUCNSA-N 2 0 346.475 2.010 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418613147 467135966 /nfs/dbraw/zinc/13/59/66/467135966.db2.gz IKPAQJOUFQOXRS-NZSAHSFTSA-N 2 0 344.503 2.148 10 0 EEAERP Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c2ccccc2[nH+]1 ZINC000450894520 467198288 /nfs/dbraw/zinc/19/82/88/467198288.db2.gz VPLVMEXQDQKASR-MRXNPFEDSA-N 2 0 338.455 2.334 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359030 467377085 /nfs/dbraw/zinc/37/70/85/467377085.db2.gz FMEPKOGARXDBTN-FQEVSTJZSA-N 2 0 341.455 2.138 10 0 EEAERP COCCOc1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415045256 467475680 /nfs/dbraw/zinc/47/56/80/467475680.db2.gz BGYYJHSQEURGHT-UHFFFAOYSA-N 2 0 347.503 2.018 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000449346602 467632597 /nfs/dbraw/zinc/63/25/97/467632597.db2.gz NZMNAPWPYMBFFW-OAHLLOKOSA-N 2 0 325.460 2.492 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1cn(C)cn1 ZINC000457627369 467665681 /nfs/dbraw/zinc/66/56/81/467665681.db2.gz AAXWPZRVUYENGD-UHFFFAOYSA-N 2 0 343.475 2.302 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000528649231 467721590 /nfs/dbraw/zinc/72/15/90/467721590.db2.gz LPWAVSVDIVWNCQ-IBGZPJMESA-N 2 0 330.476 2.113 10 0 EEAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000529358134 467852348 /nfs/dbraw/zinc/85/23/48/467852348.db2.gz NTRRUSVPNFCKEZ-GOSISDBHSA-N 2 0 342.487 2.189 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000530234759 467966500 /nfs/dbraw/zinc/96/65/00/467966500.db2.gz DHMDHHPUWOTVLV-QGZVFWFLSA-N 2 0 345.512 2.113 10 0 EEAERP c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000530243727 467967715 /nfs/dbraw/zinc/96/77/15/467967715.db2.gz XTKFGTLYMFSHRR-QGZVFWFLSA-N 2 0 332.444 2.048 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000516876087 468052401 /nfs/dbraw/zinc/05/24/01/468052401.db2.gz MPRXIVAUECRNGN-HYVNUMGLSA-N 2 0 339.549 2.145 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1CC[NH3+])N1CCc2sccc2C1 ZINC000519548386 468170477 /nfs/dbraw/zinc/17/04/77/468170477.db2.gz TYJRXDHHGWDTGP-AWEZNQCLSA-N 2 0 343.496 2.426 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000556893916 468596924 /nfs/dbraw/zinc/59/69/24/468596924.db2.gz YKRJFEJCZHFHRK-MRXNPFEDSA-N 2 0 327.432 2.065 10 0 EEAERP c1csc(-c2n[nH]cc2C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000556948103 468601386 /nfs/dbraw/zinc/60/13/86/468601386.db2.gz YBPHDZCZCZKIKU-UHFFFAOYSA-N 2 0 345.516 2.444 10 0 EEAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000594968725 468733518 /nfs/dbraw/zinc/73/35/18/468733518.db2.gz IYBHAGXMWOJDIZ-ZTFGCOKTSA-N 2 0 331.460 2.081 10 0 EEAERP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595075255 468752956 /nfs/dbraw/zinc/75/29/56/468752956.db2.gz XPZNJFFQAFKRTB-YJBOKZPZSA-N 2 0 348.487 2.463 10 0 EEAERP C[C@@H](CSCCF)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595075295 468753360 /nfs/dbraw/zinc/75/33/60/468753360.db2.gz YEOUQHQQHMVWOI-WMLDXEAASA-N 2 0 326.481 2.434 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000614656909 469008508 /nfs/dbraw/zinc/00/85/08/469008508.db2.gz HAYZRFMIDCNKOZ-MRXNPFEDSA-N 2 0 338.455 2.225 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000573580833 469166127 /nfs/dbraw/zinc/16/61/27/469166127.db2.gz AVVSAKIZGYOHAX-BPQIPLTHSA-N 2 0 330.476 2.121 10 0 EEAERP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccc(F)cc1C ZINC000563127644 469178886 /nfs/dbraw/zinc/17/88/86/469178886.db2.gz ZESUGPSGPZTFKY-QILLFSRXSA-N 2 0 335.467 2.111 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000618554604 469387005 /nfs/dbraw/zinc/38/70/05/469387005.db2.gz QSCPACQAVHGHHC-MSOLQXFVSA-N 2 0 330.476 2.217 10 0 EEAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000604066548 469454797 /nfs/dbraw/zinc/45/47/97/469454797.db2.gz SVABKZRTYODIMX-UHFFFAOYSA-N 2 0 341.503 2.049 10 0 EEAERP FCC[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](CCF)C2)CCO1 ZINC000626004193 469466347 /nfs/dbraw/zinc/46/63/47/469466347.db2.gz AZRKYXDOKYERJC-IRXDYDNUSA-N 2 0 334.451 2.278 10 0 EEAERP CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416584 469650396 /nfs/dbraw/zinc/65/03/96/469650396.db2.gz ACKJHWLFYXRTCP-IAGOWNOFSA-N 2 0 331.508 2.470 10 0 EEAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574718 469699083 /nfs/dbraw/zinc/69/90/83/469699083.db2.gz VNNDLLPUWKXWKY-VQTJNVASSA-N 2 0 344.547 2.265 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[NH2+]1 ZINC000626927387 469756961 /nfs/dbraw/zinc/75/69/61/469756961.db2.gz MOERGLUZFBNYMG-QAPCUYQASA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[NH2+]1 ZINC000627083515 469809227 /nfs/dbraw/zinc/80/92/27/469809227.db2.gz UMONGGVHOYZFQI-BVGQSLNGSA-N 2 0 326.444 2.279 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627199656 469841635 /nfs/dbraw/zinc/84/16/35/469841635.db2.gz ALTCYDRBDGOMAL-NZSAHSFTSA-N 2 0 344.503 2.290 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617929559 469843041 /nfs/dbraw/zinc/84/30/41/469843041.db2.gz MDEDHGJVYYOPJO-MOPGFXCFSA-N 2 0 344.503 2.236 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000627240124 469853504 /nfs/dbraw/zinc/85/35/04/469853504.db2.gz QRCYCAGZJDZNLV-KCITZHQASA-N 2 0 344.503 2.431 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000627238555 469853727 /nfs/dbraw/zinc/85/37/27/469853727.db2.gz ITXVVQPCWXXLHA-PKOBYXMFSA-N 2 0 344.503 2.087 10 0 EEAERP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000620666612 469888430 /nfs/dbraw/zinc/88/84/30/469888430.db2.gz VNGIBXMKUXCGFX-IBGZPJMESA-N 2 0 346.519 2.287 10 0 EEAERP CN(C(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000625486874 470153480 /nfs/dbraw/zinc/15/34/80/470153480.db2.gz JRBWDKOWIACQEP-GBESFXJTSA-N 2 0 327.472 2.027 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000631662353 470176933 /nfs/dbraw/zinc/17/69/33/470176933.db2.gz FKWVUIPRLNASLD-KBAYOESNSA-N 2 0 329.488 2.401 10 0 EEAERP C[N@H+](Cc1cc2cccnc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585966 470299103 /nfs/dbraw/zinc/29/91/03/470299103.db2.gz CNCXQGVNBWEJFR-KRWDZBQOSA-N 2 0 328.460 2.428 10 0 EEAERP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000633337576 470429433 /nfs/dbraw/zinc/42/94/33/470429433.db2.gz KKGNSFCHDCLPEG-QRVBRYPASA-N 2 0 344.503 2.209 10 0 EEAERP CCC(CC)(CNC(=O)COC1(C)C[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000649332775 470549087 /nfs/dbraw/zinc/54/90/87/470549087.db2.gz FRJVBAXBMUZFMA-MRXNPFEDSA-N 2 0 347.503 2.391 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000635438408 470586144 /nfs/dbraw/zinc/58/61/44/470586144.db2.gz CUYGYJGUXJUNCR-RBUKOAKNSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3(O)CCOCC3)C2)s1 ZINC000649603609 470639829 /nfs/dbraw/zinc/63/98/29/470639829.db2.gz WFAQLLOOZCRROE-INIZCTEOSA-N 2 0 338.517 2.352 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000646911758 470773350 /nfs/dbraw/zinc/77/33/50/470773350.db2.gz GIEQAEYRUHHEPZ-IEBWSBKVSA-N 2 0 345.487 2.183 10 0 EEAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000646917634 470776663 /nfs/dbraw/zinc/77/66/63/470776663.db2.gz CJMCQNOTHOYPEJ-OTWHNJEPSA-N 2 0 327.472 2.061 10 0 EEAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288497 470877238 /nfs/dbraw/zinc/87/72/38/470877238.db2.gz FPOCYKMGUSZJOW-CVEARBPZSA-N 2 0 331.508 2.039 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000650715343 470948954 /nfs/dbraw/zinc/94/89/54/470948954.db2.gz YSROKJRXYKLGFR-SJLPKXTDSA-N 2 0 347.478 2.420 10 0 EEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638072073 470951430 /nfs/dbraw/zinc/95/14/30/470951430.db2.gz PMPOJFDUOMBOFJ-RYQLBKOJSA-N 2 0 335.492 2.012 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000650757959 470959832 /nfs/dbraw/zinc/95/98/32/470959832.db2.gz FLZAVCRCHBIGFY-AWEZNQCLSA-N 2 0 347.484 2.165 10 0 EEAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC1CC([NH+]2CCCCC2)C1 ZINC000644636810 471001619 /nfs/dbraw/zinc/00/16/19/471001619.db2.gz WELKFXYDBFKHOY-SOAGJPPSSA-N 2 0 331.504 2.086 10 0 EEAERP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903839 471013305 /nfs/dbraw/zinc/01/33/05/471013305.db2.gz QUULUTHCDGVWFC-CRAIPNDOSA-N 2 0 331.460 2.488 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000650981832 471017654 /nfs/dbraw/zinc/01/76/54/471017654.db2.gz AOYZGNUZDOABLF-UHFFFAOYSA-N 2 0 326.529 2.384 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000651031553 471029868 /nfs/dbraw/zinc/02/98/68/471029868.db2.gz VVJDGMLCLFWYTO-UHFFFAOYSA-N 2 0 326.529 2.386 10 0 EEAERP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660719 471118807 /nfs/dbraw/zinc/11/88/07/471118807.db2.gz DHSOIGXOEMAFAB-GASCZTMLSA-N 2 0 338.521 2.162 10 0 EEAERP Nc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000645195655 471171729 /nfs/dbraw/zinc/17/17/29/471171729.db2.gz UVGMYAQYTNNDFL-DYVFJYSZSA-N 2 0 327.476 2.391 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000657574058 471173458 /nfs/dbraw/zinc/17/34/58/471173458.db2.gz XTZVBVWPLXBTIF-HOCLYGCPSA-N 2 0 340.537 2.356 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C1 ZINC000657595586 471179502 /nfs/dbraw/zinc/17/95/02/471179502.db2.gz RFVNUSSQCRXDQR-KRWDZBQOSA-N 2 0 336.439 2.419 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cn2)CC1 ZINC000657838756 471239678 /nfs/dbraw/zinc/23/96/78/471239678.db2.gz GFSUCNMFODTBMP-QGZVFWFLSA-N 2 0 330.476 2.025 10 0 EEAERP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[NH2+]C ZINC000652288994 471267578 /nfs/dbraw/zinc/26/75/78/471267578.db2.gz GWGDKJJWNSJXCA-UHFFFAOYSA-N 2 0 332.492 2.423 10 0 EEAERP CCC[NH+]1CCC(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000658140952 471270266 /nfs/dbraw/zinc/27/02/66/471270266.db2.gz AWWZYSGRINSPKN-FQEVSTJZSA-N 2 0 331.504 2.217 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOCC(F)(F)C(F)F)C1 ZINC000652364017 471280127 /nfs/dbraw/zinc/28/01/27/471280127.db2.gz VKCOHIJMTXPUBX-FRRDWIJNSA-N 2 0 342.377 2.264 10 0 EEAERP O=C1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)N1 ZINC000658257951 471280892 /nfs/dbraw/zinc/28/08/92/471280892.db2.gz UXESCRKNIDTKFI-INDMIFKZSA-N 2 0 327.472 2.298 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)[C@H]2CCC[C@@H]21 ZINC000658290127 471285641 /nfs/dbraw/zinc/28/56/41/471285641.db2.gz ARSFQVOOOGIAAL-ICBNADEASA-N 2 0 333.520 2.092 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)Cc1ccccc1 ZINC000660507865 471371422 /nfs/dbraw/zinc/37/14/22/471371422.db2.gz LFWJPWHFQFMCNB-LJQANCHMSA-N 2 0 346.519 2.143 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698087 471447072 /nfs/dbraw/zinc/44/70/72/471447072.db2.gz WALOHPSIELSCQZ-VQTJNVASSA-N 2 0 331.504 2.002 10 0 EEAERP CC(C)C[NH2+]C1(CO)CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660699502 471449037 /nfs/dbraw/zinc/44/90/37/471449037.db2.gz XMCYQVBNGIUFMK-FQEVSTJZSA-N 2 0 345.531 2.333 10 0 EEAERP CC(C)C[NH2+]C1(CO)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660699504 471449696 /nfs/dbraw/zinc/44/96/96/471449696.db2.gz XMCYQVBNGIUFMK-HXUWFJFHSA-N 2 0 345.531 2.333 10 0 EEAERP C[NH+]1CCC(CCNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659029384 471474097 /nfs/dbraw/zinc/47/40/97/471474097.db2.gz HOZMKKRDSHVKPB-SFHVURJKSA-N 2 0 346.475 2.201 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000655826033 471495995 /nfs/dbraw/zinc/49/59/95/471495995.db2.gz DCMALTAQSSFNLG-JNSHFYNHSA-N 2 0 328.416 2.235 10 0 EEAERP O=C(CCOC1C[NH2+]C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253623 471552899 /nfs/dbraw/zinc/55/28/99/471552899.db2.gz ZJEGSFWBCMIWLC-UHFFFAOYSA-N 2 0 349.500 2.192 10 0 EEAERP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380956 471599080 /nfs/dbraw/zinc/59/90/80/471599080.db2.gz HXDQQHVHXRGLJG-MSOLQXFVSA-N 2 0 341.499 2.403 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953865 471602110 /nfs/dbraw/zinc/60/21/10/471602110.db2.gz JQTBJXIQROSOQH-HXUWFJFHSA-N 3 0 342.531 2.450 10 0 EEAERP [NH3+][C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[C@H]1F ZINC000659429559 471623354 /nfs/dbraw/zinc/62/33/54/471623354.db2.gz SGTOOHYGLXXPBO-QZTJIDSGSA-N 2 0 348.466 2.253 10 0 EEAERP CCN(C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664069219 471627176 /nfs/dbraw/zinc/62/71/76/471627176.db2.gz AYZYZBJDUMTLLQ-AEFFLSMTSA-N 2 0 332.492 2.243 10 0 EEAERP CC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659515541 471664086 /nfs/dbraw/zinc/66/40/86/471664086.db2.gz VLZHTJGYRYPXAH-SFHVURJKSA-N 2 0 344.503 2.197 10 0 EEAERP C[NH2+]CCC1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000667148694 471671594 /nfs/dbraw/zinc/67/15/94/471671594.db2.gz OHAHXCQXORDFSK-UHFFFAOYSA-N 2 0 328.420 2.121 10 0 EEAERP CCN(C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664407985 471744171 /nfs/dbraw/zinc/74/41/71/471744171.db2.gz ZVPNVHRAAOOQGQ-QXAKKESOSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH2+][C@H](C)Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000656560717 471759635 /nfs/dbraw/zinc/75/96/35/471759635.db2.gz GRKZPAFQLAZMEK-ZCFIWIBFSA-N 2 0 343.250 2.314 10 0 EEAERP CC(CC[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1)CC[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621319 471829276 /nfs/dbraw/zinc/82/92/76/471829276.db2.gz MZDWAEVHTKNXTA-BVFILSHUSA-N 2 0 340.552 2.300 10 0 EEAERP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000656790120 471841666 /nfs/dbraw/zinc/84/16/66/471841666.db2.gz LMIOVWOZKMLCDP-DEICHXMPSA-N 2 0 335.467 2.258 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)NCC[C@H]1CCc2ccccc21 ZINC000664980119 471917839 /nfs/dbraw/zinc/91/78/39/471917839.db2.gz DWNMVKDMGNDWEJ-GOSISDBHSA-N 2 0 346.519 2.289 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654377484 471934437 /nfs/dbraw/zinc/93/44/37/471934437.db2.gz MVCBMOIXSYZAQT-XLAORIBOSA-N 2 0 338.540 2.384 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000665259360 471983124 /nfs/dbraw/zinc/98/31/24/471983124.db2.gz CUXUCGYPWSITFU-SKSLQVBQSA-N 2 0 347.478 2.352 10 0 EEAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665282892 471989478 /nfs/dbraw/zinc/98/94/78/471989478.db2.gz DLBXJBSDWXVGTF-HSALFYBXSA-N 2 0 330.520 2.052 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000665287345 471990292 /nfs/dbraw/zinc/99/02/92/471990292.db2.gz IUOPWLGMDVJKSB-GOSISDBHSA-N 2 0 345.487 2.481 10 0 EEAERP C[C@H]1C[C@@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000662467757 472118854 /nfs/dbraw/zinc/11/88/54/472118854.db2.gz DXLJKEUNIYMKIN-UHOSZYNNSA-N 2 0 329.488 2.498 10 0 EEAERP CCc1ccc([C@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)[NH+](C)C)cc1 ZINC000662664260 472194303 /nfs/dbraw/zinc/19/43/03/472194303.db2.gz VYSGKSGPGUHIBE-HNNXBMFYSA-N 2 0 344.459 2.464 10 0 EEAERP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662717154 472219904 /nfs/dbraw/zinc/21/99/04/472219904.db2.gz XNKSDWBQCQKLRT-QZTJIDSGSA-N 2 0 329.488 2.388 10 0 EEAERP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000662737306 472228570 /nfs/dbraw/zinc/22/85/70/472228570.db2.gz XUHCYOUKLGSPAU-AWEZNQCLSA-N 2 0 341.377 2.277 10 0 EEAERP CC1(C)CC[NH2+][C@H]1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000662811497 472263058 /nfs/dbraw/zinc/26/30/58/472263058.db2.gz YRFBHZZTQMZQTA-INIZCTEOSA-N 2 0 335.879 2.202 10 0 EEAERP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000679297762 485652023 /nfs/dbraw/zinc/65/20/23/485652023.db2.gz IABOYBLOUIAYMH-YTQUADARSA-N 2 0 344.503 2.290 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000431738191 485709313 /nfs/dbraw/zinc/70/93/13/485709313.db2.gz BJBCUUGVNUJVAK-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000684370238 485859356 /nfs/dbraw/zinc/85/93/56/485859356.db2.gz QGXPXGALFKQIHF-PMACEKPBSA-N 2 0 331.504 2.481 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](CCO)C(C)(C)C1 ZINC000684588764 485935520 /nfs/dbraw/zinc/93/55/20/485935520.db2.gz LYEFEKZVLMOHAL-UHFFFAOYSA-N 2 0 333.407 2.275 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnc(C)nc3)cc2)CC1 ZINC000339281410 490745534 /nfs/dbraw/zinc/74/55/34/490745534.db2.gz WDTHNQABXRMALT-UHFFFAOYSA-N 2 0 339.487 2.212 10 0 EEAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000416239466 527897998 /nfs/dbraw/zinc/89/79/98/527897998.db2.gz KWTHZDRJZZBLAM-GBESFXJTSA-N 2 0 345.487 2.001 10 0 EEAERP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000761086541 577676308 /nfs/dbraw/zinc/67/63/08/577676308.db2.gz DIUJSOVZSPCICF-RBUKOAKNSA-N 2 0 327.472 2.124 10 0 EEAERP Cc1ccccc1[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000741778790 578123811 /nfs/dbraw/zinc/12/38/11/578123811.db2.gz ARAIWJFRYBJFCI-HXUWFJFHSA-N 2 0 332.488 2.463 10 0 EEAERP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000713271868 674732772 /nfs/dbraw/zinc/73/27/72/674732772.db2.gz ZFVXUDKOEDOUDI-QHXZYPQMSA-N 2 0 327.472 2.141 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)n(C)n1 ZINC000925023986 682551846 /nfs/dbraw/zinc/55/18/46/682551846.db2.gz QOVRGSCKOBYIGW-NSHGMRRFSA-N 2 0 348.535 2.266 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2c(n1)CCCC2 ZINC000925040960 682659437 /nfs/dbraw/zinc/65/94/37/682659437.db2.gz LSGIFXCFBKSJJH-HOTGVXAUSA-N 2 0 331.508 2.039 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000915252956 684066521 /nfs/dbraw/zinc/06/65/21/684066521.db2.gz UPAKHKZPHUAIBU-DLBZAZTESA-N 2 0 330.476 2.241 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000896624145 685124029 /nfs/dbraw/zinc/12/40/29/685124029.db2.gz SACAVHDFSNLRLS-ALOPSCKCSA-N 2 0 341.565 2.393 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000896897576 685669987 /nfs/dbraw/zinc/66/99/87/685669987.db2.gz APORHLZTIIQAPS-YCEFEEMOSA-N 2 0 327.472 2.421 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897582313 691644434 /nfs/dbraw/zinc/64/44/34/691644434.db2.gz SWYYBOMQAKQECQ-MOPGFXCFSA-N 2 0 346.519 2.315 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000899224885 693670604 /nfs/dbraw/zinc/67/06/04/693670604.db2.gz VNLYGLVNPWFAQP-UHFFFAOYSA-N 2 0 329.488 2.248 10 0 EEAERP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001485575436 1191852871 /nfs/dbraw/zinc/85/28/71/1191852871.db2.gz MNBLDWIXXBSAOF-MRXNPFEDSA-N 2 0 341.540 2.216 10 0 EEAERP CCc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001485615757 1191863182 /nfs/dbraw/zinc/86/31/82/1191863182.db2.gz HPBBVXFSOGPHHB-HAGHYFMRSA-N 2 0 343.515 2.383 10 0 EEAERP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]3C2)no1 ZINC001485655031 1191873717 /nfs/dbraw/zinc/87/37/17/1191873717.db2.gz DYCVTFFORCKEBE-YESZJQIVSA-N 2 0 348.491 2.042 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]2C1 ZINC001485657981 1191878945 /nfs/dbraw/zinc/87/89/45/1191878945.db2.gz QJRQBLNTBNUFBQ-SLFFLAALSA-N 2 0 343.515 2.398 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccn1 ZINC001485750877 1191931607 /nfs/dbraw/zinc/93/16/07/1191931607.db2.gz DDQLVQVUNWFHDG-AEFFLSMTSA-N 2 0 332.492 2.331 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCCc2ccccc2)C1 ZINC001670725191 1177090794 /nfs/dbraw/zinc/09/07/94/1177090794.db2.gz XLIOGGZRJIJSJR-OALUTQOASA-N 2 0 329.488 2.152 10 0 EEAERP Cc1nc(CNCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)oc1C ZINC001266724561 1177309087 /nfs/dbraw/zinc/30/90/87/1177309087.db2.gz SNIDMBFEOZLYQU-KRWDZBQOSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001266820429 1177485224 /nfs/dbraw/zinc/48/52/24/1177485224.db2.gz MURFDOLISXCXOH-SFHVURJKSA-N 2 0 346.519 2.450 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001691178411 1177678239 /nfs/dbraw/zinc/67/82/39/1177678239.db2.gz PKRXZVHZMUUUHD-VAMGGRTRSA-N 2 0 343.515 2.445 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001691345609 1177941613 /nfs/dbraw/zinc/94/16/13/1177941613.db2.gz FMCWCQBFACVRCW-ROUUACIJSA-N 2 0 337.508 2.011 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CCCF)C2)CCCCC1 ZINC001267051093 1178155767 /nfs/dbraw/zinc/15/57/67/1178155767.db2.gz XCXUSKOWHJHQCM-INIZCTEOSA-N 2 0 327.488 2.296 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCCOC)C1 ZINC001267103933 1178249838 /nfs/dbraw/zinc/24/98/38/1178249838.db2.gz IWGSIJXGMQRZNY-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CCNC(=O)c1cccc2nccn21)[NH2+]CCOC1CCC1 ZINC001267138010 1178312435 /nfs/dbraw/zinc/31/24/35/1178312435.db2.gz KEOIZKFBURWRSL-AWEZNQCLSA-N 2 0 330.432 2.001 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691786416 1178538080 /nfs/dbraw/zinc/53/80/80/1178538080.db2.gz ZFBMLTJORPCVDY-BRWVUGGUSA-N 2 0 339.499 2.485 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267279504 1178665523 /nfs/dbraw/zinc/66/55/23/1178665523.db2.gz GJAJAYDFOPSFQS-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001731532781 1178825248 /nfs/dbraw/zinc/82/52/48/1178825248.db2.gz YSXXBHPKOIBCLH-CYBMUJFWSA-N 2 0 336.307 2.475 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)c1C ZINC001267462444 1179059470 /nfs/dbraw/zinc/05/94/70/1179059470.db2.gz MBXKKZGEKZQMLU-FQEVSTJZSA-N 2 0 345.487 2.038 10 0 EEAERP C[C@@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267593498 1179589591 /nfs/dbraw/zinc/58/95/91/1179589591.db2.gz MAAMFGXSOHDZDR-IRXDYDNUSA-N 2 0 347.507 2.050 10 0 EEAERP CN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)CCC[NH+]1CCCC1 ZINC001731986566 1180051247 /nfs/dbraw/zinc/05/12/47/1180051247.db2.gz NAGQRWLKFRTLGQ-UHFFFAOYSA-N 2 0 344.912 2.221 10 0 EEAERP COCCC[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267857127 1180638677 /nfs/dbraw/zinc/63/86/77/1180638677.db2.gz UITNAMWXQSVMBD-IBGZPJMESA-N 2 0 344.459 2.167 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@@H](C)O)CC1 ZINC001267931888 1180782978 /nfs/dbraw/zinc/78/29/78/1180782978.db2.gz HZSYTAJHPIDYDH-BRSBDYLESA-N 2 0 339.524 2.039 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CCCCCF)CC2)C1 ZINC001267948549 1180809932 /nfs/dbraw/zinc/80/99/32/1180809932.db2.gz KCGGVXUBJVQBMS-KRWDZBQOSA-N 2 0 327.488 2.296 10 0 EEAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001267965672 1180862724 /nfs/dbraw/zinc/86/27/24/1180862724.db2.gz ABVZGBQOSAYNDX-LAQIPUCWSA-N 2 0 337.508 2.034 10 0 EEAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001481290012 1180888583 /nfs/dbraw/zinc/88/85/83/1180888583.db2.gz ACJYZAOBRJOARM-CABCVRRESA-N 2 0 329.435 2.097 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)C[NH+]1CCCC1 ZINC001481315414 1181011277 /nfs/dbraw/zinc/01/12/77/1181011277.db2.gz ZKWUNBVAZHMPIK-UHFFFAOYSA-N 2 0 327.831 2.123 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481334876 1181060005 /nfs/dbraw/zinc/06/00/05/1181060005.db2.gz BAEZFQINSYTMSE-HOCLYGCPSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1csc(C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C(C)C)n1 ZINC001481348190 1181087754 /nfs/dbraw/zinc/08/77/54/1181087754.db2.gz UEMHTODEVOBBNP-OAHLLOKOSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CCNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001481435158 1181333031 /nfs/dbraw/zinc/33/30/31/1181333031.db2.gz KOLJGBGRIMUYHX-SJORKVTESA-N 2 0 348.491 2.186 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481442981 1181357270 /nfs/dbraw/zinc/35/72/70/1181357270.db2.gz NTSRYSGXTZYOOQ-INIZCTEOSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C[NH2+]CCF ZINC001268196651 1181993832 /nfs/dbraw/zinc/99/38/32/1181993832.db2.gz STONOSVQWZKYCW-QAPCUYQASA-N 2 0 339.499 2.295 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)on1 ZINC001268272764 1182122136 /nfs/dbraw/zinc/12/21/36/1182122136.db2.gz VWXDSKVVVGRMPO-FUHWJXTLSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1noc(C)c1CN1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481662311 1182166666 /nfs/dbraw/zinc/16/66/66/1182166666.db2.gz TURINDIEVQXHTR-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001268287696 1182166699 /nfs/dbraw/zinc/16/66/99/1182166699.db2.gz PAHJNSIDTOTUME-PMACEKPBSA-N 2 0 343.515 2.445 10 0 EEAERP O=C(Cc1ncc[nH]1)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001268287536 1182166709 /nfs/dbraw/zinc/16/67/09/1182166709.db2.gz HCXCWERIBMAEAN-GHMZBOCLSA-N 2 0 331.247 2.146 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348572 1182303827 /nfs/dbraw/zinc/30/38/27/1182303827.db2.gz HRNDHJYDZMUHHV-BEFAXECRSA-N 2 0 340.471 2.313 10 0 EEAERP Cc1csc(C[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001268374206 1182378552 /nfs/dbraw/zinc/37/85/52/1182378552.db2.gz OQCKGOBRTZMHFZ-HIFRSBDPSA-N 2 0 338.521 2.310 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379377 1182404794 /nfs/dbraw/zinc/40/47/94/1182404794.db2.gz QYFWKSSPFQVBLF-NWDGAFQWSA-N 2 0 344.912 2.265 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268389555 1182443804 /nfs/dbraw/zinc/44/38/04/1182443804.db2.gz NQBRLVFISFKNDU-CQSZACIVSA-N 2 0 336.455 2.080 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2)C1 ZINC001268392265 1182455833 /nfs/dbraw/zinc/45/58/33/1182455833.db2.gz KZWCSAXFPQRGGM-FUHWJXTLSA-N 2 0 332.492 2.188 10 0 EEAERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001268397471 1182475387 /nfs/dbraw/zinc/47/53/87/1182475387.db2.gz QEUBQUCPGHEDQG-HNNXBMFYSA-N 2 0 333.476 2.021 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268410454 1182550646 /nfs/dbraw/zinc/55/06/46/1182550646.db2.gz CNBBHJRBAQHJKU-KRWDZBQOSA-N 2 0 332.492 2.106 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268415745 1182570371 /nfs/dbraw/zinc/57/03/71/1182570371.db2.gz RTFPXPNQVUBKOA-CQSZACIVSA-N 2 0 348.491 2.052 10 0 EEAERP CC[C@H](CNC(=O)Cc1ncc[nH]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001481861006 1182827275 /nfs/dbraw/zinc/82/72/75/1182827275.db2.gz HCCRZBNQXYAMHG-MAUKXSAKSA-N 2 0 340.471 2.242 10 0 EEAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001481869234 1182842767 /nfs/dbraw/zinc/84/27/67/1182842767.db2.gz JOCAKQHQCLHZHX-ZWKOTPCHSA-N 2 0 335.467 2.482 10 0 EEAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001268475943 1182881469 /nfs/dbraw/zinc/88/14/69/1182881469.db2.gz AODJWMYHBRUQHX-IBGZPJMESA-N 2 0 331.504 2.454 10 0 EEAERP Cc1ncoc1C[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001481912925 1182937129 /nfs/dbraw/zinc/93/71/29/1182937129.db2.gz KXXDJKJJIYMFOX-HUUCEWRRSA-N 2 0 348.491 2.374 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268486286 1182965829 /nfs/dbraw/zinc/96/58/29/1182965829.db2.gz SBPVKQFNTPQVIG-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP C[C@@](C[NH2+]C[C@@H]1CCC(F)(F)C1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950135 1183018748 /nfs/dbraw/zinc/01/87/48/1183018748.db2.gz GSLMKJWAGAVDHU-PBHICJAKSA-N 2 0 343.462 2.392 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC001268538703 1183199888 /nfs/dbraw/zinc/19/98/88/1183199888.db2.gz MGIZIYNIDXRSJP-JDDKEMAESA-N 2 0 345.462 2.491 10 0 EEAERP Cc1conc1C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001482119090 1183355934 /nfs/dbraw/zinc/35/59/34/1183355934.db2.gz SYDRORVRGYFIQF-GFCCVEGCSA-N 2 0 341.415 2.095 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001268581570 1183365630 /nfs/dbraw/zinc/36/56/30/1183365630.db2.gz JKFWVMVIKRVRBI-AATRIKPKSA-N 2 0 329.488 2.407 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC/C=C/C[NH2+]Cc2ccccn2)C1 ZINC001268590998 1183392809 /nfs/dbraw/zinc/39/28/09/1183392809.db2.gz MHNSAFJTERAUIC-GHOSXJJBSA-N 2 0 348.466 2.056 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCCc2ccccc2Cl)C1 ZINC001268626141 1183545426 /nfs/dbraw/zinc/54/54/26/1183545426.db2.gz MYCNLKLPYPULBO-BDUNBXCCSA-N 2 0 349.906 2.486 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cncc(C)c1 ZINC001268630128 1183554949 /nfs/dbraw/zinc/55/49/49/1183554949.db2.gz FXZWVORQXQNBGE-QWNKOJSDSA-N 2 0 330.476 2.026 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cncc(C)c1 ZINC001268630129 1183555486 /nfs/dbraw/zinc/55/54/86/1183555486.db2.gz FXZWVORQXQNBGE-XFHJGTJQSA-N 2 0 330.476 2.026 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+]1CCCC1 ZINC001269149344 1184003220 /nfs/dbraw/zinc/00/32/20/1184003220.db2.gz PYOPOTFYYOYKRY-BJYXUANLSA-N 2 0 327.900 2.344 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001269323997 1184169420 /nfs/dbraw/zinc/16/94/20/1184169420.db2.gz FSSDOTMOKMRNEB-ZWKOTPCHSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CC1)[NH+](C)C ZINC001269523083 1184347177 /nfs/dbraw/zinc/34/71/77/1184347177.db2.gz XIQDQXSOCPJWNI-HNNXBMFYSA-N 2 0 338.883 2.060 10 0 EEAERP O=C(NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCC1)C12CC[NH+](CC1)C2 ZINC001269588720 1184414258 /nfs/dbraw/zinc/41/42/58/1184414258.db2.gz UTHKPUMCIDDAIM-KRWDZBQOSA-N 2 0 349.519 2.060 10 0 EEAERP COCC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001269670276 1184491372 /nfs/dbraw/zinc/49/13/72/1184491372.db2.gz JUQNXABRCVNPEY-VQIMIIECSA-N 2 0 339.524 2.019 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001269712333 1184544827 /nfs/dbraw/zinc/54/48/27/1184544827.db2.gz PBBQJDFGDRSBRJ-YJBOKZPZSA-N 2 0 348.491 2.050 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001269791355 1184624625 /nfs/dbraw/zinc/62/46/25/1184624625.db2.gz OQUBCLLLFCEPQG-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001270020388 1184791547 /nfs/dbraw/zinc/79/15/47/1184791547.db2.gz ASYMVQLDSARRME-WMZOPIPTSA-N 2 0 333.451 2.043 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001270035734 1184803137 /nfs/dbraw/zinc/80/31/37/1184803137.db2.gz FDDTXLTXRVNEJG-IYARVYRRSA-N 2 0 332.492 2.331 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001270067186 1184823602 /nfs/dbraw/zinc/82/36/02/1184823602.db2.gz RONJXSWTLPZJEC-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001482282646 1185046080 /nfs/dbraw/zinc/04/60/80/1185046080.db2.gz BRVPMXCEQDLUPY-UXIGCNINSA-N 2 0 338.521 2.037 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303451 1185228509 /nfs/dbraw/zinc/22/85/09/1185228509.db2.gz CIAKTVULTAXWJX-KRWDZBQOSA-N 2 0 329.488 2.294 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001482453819 1185862106 /nfs/dbraw/zinc/86/21/06/1185862106.db2.gz CWINORASKZDKJR-HOTGVXAUSA-N 2 0 336.480 2.357 10 0 EEAERP CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482460689 1185924784 /nfs/dbraw/zinc/92/47/84/1185924784.db2.gz GEDCYLSMHKWJHP-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001271129939 1185939349 /nfs/dbraw/zinc/93/93/49/1185939349.db2.gz RAJHBQQSLANGHO-DLBZAZTESA-N 2 0 327.513 2.111 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001271601181 1186332552 /nfs/dbraw/zinc/33/25/52/1186332552.db2.gz WMZOGGNAMMNAGP-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001482495007 1186396222 /nfs/dbraw/zinc/39/62/22/1186396222.db2.gz PIKDESGHTQAPRF-ZBFHGGJFSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cnc1C)C2 ZINC001271750881 1186459996 /nfs/dbraw/zinc/45/99/96/1186459996.db2.gz WHCDJFDDNNQHPI-BJWYYQGGSA-N 2 0 348.491 2.046 10 0 EEAERP COCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482695180 1187661838 /nfs/dbraw/zinc/66/18/38/1187661838.db2.gz QOKSEXORHVMHGR-ZWKOTPCHSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001482875662 1187795585 /nfs/dbraw/zinc/79/55/85/1187795585.db2.gz XHDYSTKWXQTENC-CYBMUJFWSA-N 2 0 326.510 2.105 10 0 EEAERP CCN(CC[NH2+]CCCc1cccc(C)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482914102 1187839955 /nfs/dbraw/zinc/83/99/55/1187839955.db2.gz IWCAROFJHXYFTC-LJQANCHMSA-N 2 0 331.504 2.460 10 0 EEAERP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001482948891 1187888363 /nfs/dbraw/zinc/88/83/63/1187888363.db2.gz SEJYCFOUJKXKRW-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CCNCc1ncc(C2CC2)o1)[NH+]1CCCC1 ZINC001691623269 1188322441 /nfs/dbraw/zinc/32/24/41/1188322441.db2.gz QJNWHFUMSJGYPR-SFHVURJKSA-N 2 0 348.491 2.220 10 0 EEAERP O=C(NC/C=C\C[NH2+]C/C=C/c1ccccc1)C12CC[NH+](CC1)C2 ZINC001483083716 1188444611 /nfs/dbraw/zinc/44/46/11/1188444611.db2.gz OTCSEYKVNGUWMZ-KMOPYBJPSA-N 2 0 325.456 2.058 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C1([NH+](C)C)CCC1 ZINC001272830429 1193567989 /nfs/dbraw/zinc/56/79/89/1193567989.db2.gz PNIYLOAKMIFWHU-HNNXBMFYSA-N 2 0 345.487 2.186 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483227204 1189505253 /nfs/dbraw/zinc/50/52/53/1189505253.db2.gz XBKJDWCSNPLIMS-MAUKXSAKSA-N 2 0 349.523 2.240 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483227745 1189517615 /nfs/dbraw/zinc/51/76/15/1189517615.db2.gz RWSMRWVNOHQWJS-WMZOPIPTSA-N 2 0 344.503 2.331 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2ccnc2)s1 ZINC001409403704 1189630697 /nfs/dbraw/zinc/63/06/97/1189630697.db2.gz YLLFWVUWGAQGDW-NEPJUHHUSA-N 2 0 335.477 2.030 10 0 EEAERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001409449906 1189697175 /nfs/dbraw/zinc/69/71/75/1189697175.db2.gz PBYWGUHWRCMTCC-OAHLLOKOSA-N 2 0 340.537 2.366 10 0 EEAERP COc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001409654649 1190152778 /nfs/dbraw/zinc/15/27/78/1190152778.db2.gz UZNFVXCBYMIXMD-CVEARBPZSA-N 2 0 345.487 2.289 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC001483296821 1190319164 /nfs/dbraw/zinc/31/91/64/1190319164.db2.gz RMHJARYFMLANKQ-HNNXBMFYSA-N 2 0 328.460 2.169 10 0 EEAERP Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)s1 ZINC001483409113 1190455266 /nfs/dbraw/zinc/45/52/66/1190455266.db2.gz RFUQVUCCDANPPA-IUODEOHRSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001483437899 1190479414 /nfs/dbraw/zinc/47/94/14/1190479414.db2.gz QSOWRRNBPJRMBT-HOTGVXAUSA-N 2 0 348.491 2.232 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cncs1 ZINC001483442645 1190482061 /nfs/dbraw/zinc/48/20/61/1190482061.db2.gz GUGYHEYTNGFRPE-GOEBONIOSA-N 2 0 338.521 2.250 10 0 EEAERP Cc1conc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001483446893 1190483244 /nfs/dbraw/zinc/48/32/44/1190483244.db2.gz DFVRUJVSPNMWEY-HZPDHXFCSA-N 2 0 336.480 2.088 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)C[N@H+](C)C1CCC1 ZINC001483470168 1190491736 /nfs/dbraw/zinc/49/17/36/1190491736.db2.gz MGSZRZVHURIYHW-CQSZACIVSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001483471203 1190493726 /nfs/dbraw/zinc/49/37/26/1190493726.db2.gz GSNISWSZONSYNI-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001483510436 1190522102 /nfs/dbraw/zinc/52/21/02/1190522102.db2.gz JYNWUNNXOQVXMO-ZWKOTPCHSA-N 2 0 347.503 2.154 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c(C)n1 ZINC001483586589 1190572405 /nfs/dbraw/zinc/57/24/05/1190572405.db2.gz WEGDDLVDMDRROT-RTBURBONSA-N 2 0 346.519 2.269 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001483605162 1190584189 /nfs/dbraw/zinc/58/41/89/1190584189.db2.gz FMAVVYXQBXRAGM-FQEVSTJZSA-N 2 0 341.499 2.256 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1conc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001409818486 1190648272 /nfs/dbraw/zinc/64/82/72/1190648272.db2.gz LBBIXZFXVYRNCN-HYVNUMGLSA-N 2 0 336.480 2.088 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2Cc2ccccn2)C1 ZINC001409854946 1190689315 /nfs/dbraw/zinc/68/93/15/1190689315.db2.gz WTLQUMUPDNSDBL-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP COCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001409863364 1190717674 /nfs/dbraw/zinc/71/76/74/1190717674.db2.gz YUUGNRIQIDUHSN-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001483734791 1190849282 /nfs/dbraw/zinc/84/92/82/1190849282.db2.gz GJAYZYVAZIWBJQ-LJQANCHMSA-N 2 0 341.499 2.329 10 0 EEAERP CC(C)OCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001272534840 1190869618 /nfs/dbraw/zinc/86/96/18/1190869618.db2.gz RPOQCSWJUJPZQC-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC001483791671 1191031610 /nfs/dbraw/zinc/03/16/10/1191031610.db2.gz ZLYVVSRAGXBPJZ-CQSZACIVSA-N 2 0 329.435 2.146 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001483941315 1191125193 /nfs/dbraw/zinc/12/51/93/1191125193.db2.gz SULNZBREWLDVRX-IEBWSBKVSA-N 2 0 345.487 2.049 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3cc(C)no3)C2)CC[N@@H+]1C ZINC001484092925 1191207409 /nfs/dbraw/zinc/20/74/09/1191207409.db2.gz CKQGXKIYRYKXIH-SCTDSRPQSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484174423 1191260014 /nfs/dbraw/zinc/26/00/14/1191260014.db2.gz PQEFHVWEHPPJNZ-DOTOQJQBSA-N 2 0 325.472 2.049 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001484359611 1191315451 /nfs/dbraw/zinc/31/54/51/1191315451.db2.gz XDUVDVBIFKDULB-DOTOQJQBSA-N 2 0 335.467 2.493 10 0 EEAERP CC[C@@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484401128 1191335350 /nfs/dbraw/zinc/33/53/50/1191335350.db2.gz GHODNIXWOMAUEW-QZTJIDSGSA-N 2 0 335.467 2.305 10 0 EEAERP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001484413699 1191340037 /nfs/dbraw/zinc/34/00/37/1191340037.db2.gz TXJHLRCRPLABJR-KURKYZTESA-N 2 0 333.520 2.155 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001484525499 1191398590 /nfs/dbraw/zinc/39/85/90/1191398590.db2.gz HINFAJRPEUHIRD-RTBURBONSA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001484868163 1191561161 /nfs/dbraw/zinc/56/11/61/1191561161.db2.gz BXDJWLKCGGGWGU-KRWDZBQOSA-N 2 0 339.524 2.019 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484971925 1191597195 /nfs/dbraw/zinc/59/71/95/1191597195.db2.gz JPZPGLOJGZTRLO-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C)on1 ZINC001484981448 1191599983 /nfs/dbraw/zinc/59/99/83/1191599983.db2.gz NYNTUAVTVUDPLK-HZPDHXFCSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001485068098 1191636157 /nfs/dbraw/zinc/63/61/57/1191636157.db2.gz AGFBEIREIDTNHG-QGZVFWFLSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201990 1191683812 /nfs/dbraw/zinc/68/38/12/1191683812.db2.gz ZHHBTGLERYETMV-CHWSQXEVSA-N 2 0 338.521 2.166 10 0 EEAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001485237928 1191702079 /nfs/dbraw/zinc/70/20/79/1191702079.db2.gz WSHNJNXHPLGFSB-LEOMRAHMSA-N 2 0 337.508 2.009 10 0 EEAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001485253859 1191704969 /nfs/dbraw/zinc/70/49/69/1191704969.db2.gz RLIBCTZLOUPIDT-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(Cl)nc1 ZINC001485318895 1191732799 /nfs/dbraw/zinc/73/27/99/1191732799.db2.gz KBBLNKSOGMCYQN-ZFWWWQNUSA-N 2 0 338.883 2.156 10 0 EEAERP COCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001485305393 1191735884 /nfs/dbraw/zinc/73/58/84/1191735884.db2.gz CHYYKFFJJICWRU-FRQCXROJSA-N 2 0 347.503 2.110 10 0 EEAERP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C ZINC001485386834 1191774701 /nfs/dbraw/zinc/77/47/01/1191774701.db2.gz ZPPAHRLJGHSNEC-SJORKVTESA-N 2 0 341.540 2.218 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1 ZINC001485448513 1191788692 /nfs/dbraw/zinc/78/86/92/1191788692.db2.gz VIKDBJWCSBDOHN-DLBZAZTESA-N 2 0 337.508 2.058 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1Cc1cccc(F)c1F ZINC001486180508 1193717725 /nfs/dbraw/zinc/71/77/25/1193717725.db2.gz NGTLBOFNPRDALR-CJNGLKHVSA-N 2 0 339.430 2.386 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001486209657 1193750356 /nfs/dbraw/zinc/75/03/56/1193750356.db2.gz AGUYXSLLVMBPBI-JSGCOSHPSA-N 2 0 335.414 2.155 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001486220725 1193758212 /nfs/dbraw/zinc/75/82/12/1193758212.db2.gz OPEMRIBKECHCOB-DLBZAZTESA-N 2 0 348.491 2.234 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC001486221617 1193758977 /nfs/dbraw/zinc/75/89/77/1193758977.db2.gz UWVYXYHKKFEISJ-QZTJIDSGSA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC001486246942 1193772980 /nfs/dbraw/zinc/77/29/80/1193772980.db2.gz VLNZFJFQAJOLQJ-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C(F)(F)F ZINC001486253584 1193781298 /nfs/dbraw/zinc/78/12/98/1193781298.db2.gz MYYCWQGVYQEJCW-KBPBESRZSA-N 2 0 347.425 2.251 10 0 EEAERP CC[C@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1)OC ZINC001486446531 1193961168 /nfs/dbraw/zinc/96/11/68/1193961168.db2.gz OOSFFYTWGHTAMX-JQHSSLGASA-N 2 0 341.540 2.214 10 0 EEAERP Cc1nc(C)c(C[NH+]2CCC([C@H](C)NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001486451176 1193966066 /nfs/dbraw/zinc/96/60/66/1193966066.db2.gz VMINLXPPUBVVQP-AWEZNQCLSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1noc(C)c1C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001486511148 1194028622 /nfs/dbraw/zinc/02/86/22/1194028622.db2.gz XMIKRLBOIYZRTP-UHFFFAOYSA-N 2 0 346.475 2.024 10 0 EEAERP Cc1cncc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]3C2)c1 ZINC001410179757 1197588856 /nfs/dbraw/zinc/58/88/56/1197588856.db2.gz HXUYQLFZYLGIFW-FHWLQOOXSA-N 2 0 344.503 2.058 10 0 EEAERP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C ZINC000872145947 1198053100 /nfs/dbraw/zinc/05/31/00/1198053100.db2.gz ZVVJMTFYOVTBED-SCTDSRPQSA-N 2 0 346.471 2.500 10 0 EEAERP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208064 1198087537 /nfs/dbraw/zinc/08/75/37/1198087537.db2.gz BPQPTZRLBPMESC-OALUTQOASA-N 2 0 334.504 2.400 10 0 EEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872283477 1198127913 /nfs/dbraw/zinc/12/79/13/1198127913.db2.gz FIMQXELWTJXVAQ-YICCCDAHSA-N 2 0 341.499 2.387 10 0 EEAERP CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCc2nc[nH]c2C1)CC(F)F ZINC000865574468 1198282669 /nfs/dbraw/zinc/28/26/69/1198282669.db2.gz XJHYTPJVFKONQV-WDEREUQCSA-N 2 0 344.406 2.405 10 0 EEAERP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(Cl)nc1 ZINC001493013538 1198428967 /nfs/dbraw/zinc/42/89/67/1198428967.db2.gz ZEAJJKMNCDYKOU-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1csc2c1ncnc2N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866011924 1198454343 /nfs/dbraw/zinc/45/43/43/1198454343.db2.gz MQKKENNSUXUYDM-ZIAGYGMSSA-N 2 0 333.505 2.175 10 0 EEAERP Cc1ccncc1C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001410905344 1198562559 /nfs/dbraw/zinc/56/25/59/1198562559.db2.gz PKNXBZAVASHTQD-AZUAARDMSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1csc(CN2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)n1 ZINC001410930910 1198595911 /nfs/dbraw/zinc/59/59/11/1198595911.db2.gz QDPLGDRMJCGDBZ-LSDHHAIUSA-N 2 0 338.521 2.261 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)sn1 ZINC001410984808 1198660721 /nfs/dbraw/zinc/66/07/21/1198660721.db2.gz MTXVDGVPEJYLAP-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP Cc1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)sn1 ZINC001411208624 1198915808 /nfs/dbraw/zinc/91/58/08/1198915808.db2.gz KPUJDPMUDQSGQO-GJZGRUSLSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]Cc2cncs2)C(C)(C)C)C1 ZINC001411211923 1198920697 /nfs/dbraw/zinc/92/06/97/1198920697.db2.gz AFVBBVDJSFTFGF-DZGCQCFKSA-N 2 0 338.521 2.105 10 0 EEAERP CC[C@H]1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875632830 1199325727 /nfs/dbraw/zinc/32/57/27/1199325727.db2.gz JNLZVOSSKBCVNY-WNRNVDISSA-N 2 0 338.540 2.194 10 0 EEAERP CCc1ccc(F)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016791 1200409024 /nfs/dbraw/zinc/40/90/24/1200409024.db2.gz ZTHHUWRPDOHVEH-HZPDHXFCSA-N 2 0 335.467 2.200 10 0 EEAERP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018816 1200410863 /nfs/dbraw/zinc/41/08/63/1200410863.db2.gz HIOMWOHHYGAANV-VRCPBSEVSA-N 2 0 343.515 2.234 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccsc3[nH]2)C[C@H]1C[NH+](C)C ZINC000870023963 1200412872 /nfs/dbraw/zinc/41/28/72/1200412872.db2.gz QDTSFYKKXTVHQO-ZIAGYGMSSA-N 2 0 334.489 2.041 10 0 EEAERP C[C@@H]1CCCN(Cc2csc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)n2)C1 ZINC000870859847 1200915790 /nfs/dbraw/zinc/91/57/90/1200915790.db2.gz ILYMKPBQYRZZJZ-FJZAXULXSA-N 2 0 334.489 2.441 10 0 EEAERP CC(C)C1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)CC1 ZINC000870902141 1200941061 /nfs/dbraw/zinc/94/10/61/1200941061.db2.gz MRONYHODTDBIGW-OISPUDDESA-N 2 0 333.520 2.473 10 0 EEAERP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000870941710 1200968791 /nfs/dbraw/zinc/96/87/91/1200968791.db2.gz ZUYPIHXMVWWGKA-SWHYSGLUSA-N 2 0 340.265 2.035 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)ccn2)CC1 ZINC000866235367 1201472856 /nfs/dbraw/zinc/47/28/56/1201472856.db2.gz BSHUPQFZBXOIOU-ICSRJNTNSA-N 2 0 344.503 2.271 10 0 EEAERP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710197 1201586776 /nfs/dbraw/zinc/58/67/76/1201586776.db2.gz OSQJBCKZYUOJBG-KSYCFECVSA-N 2 0 335.835 2.268 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000868097905 1201742752 /nfs/dbraw/zinc/74/27/52/1201742752.db2.gz JZVAPPWBSZQOMY-MHORFTMASA-N 2 0 336.524 2.090 10 0 EEAERP Cn1ncc(CCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000886614178 1202534304 /nfs/dbraw/zinc/53/43/04/1202534304.db2.gz OXVNXSDVHDRIGY-SXLOBPIMSA-N 2 0 339.487 2.390 10 0 EEAERP c1nc2n(n1)[C@H](C[N@@H+]1C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000886648429 1202540047 /nfs/dbraw/zinc/54/00/47/1202540047.db2.gz SOZYVXXBWFQOMT-OTWHNJEPSA-N 2 0 337.471 2.219 10 0 EEAERP CCOCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001274028326 1204334056 /nfs/dbraw/zinc/33/40/56/1204334056.db2.gz SPONVJIWAQMGPV-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP COCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001274271437 1204982289 /nfs/dbraw/zinc/98/22/89/1204982289.db2.gz UHAIETOETYXJBN-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001274437870 1205036380 /nfs/dbraw/zinc/03/63/80/1205036380.db2.gz YCNXLGKFUQCEEE-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001274772196 1205158341 /nfs/dbraw/zinc/15/83/41/1205158341.db2.gz PIQNQPBDOAIKGM-ZDUSSCGKSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001274974681 1205223317 /nfs/dbraw/zinc/22/33/17/1205223317.db2.gz VGTVGJXVKUCFOY-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CN(C(=O)CC1CC[NH+](C)CC1)C1CCC([NH2+]CCCF)CC1 ZINC001275624749 1205451098 /nfs/dbraw/zinc/45/10/98/1205451098.db2.gz XVICHSUSBAREKT-UHFFFAOYSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001276259395 1205859287 /nfs/dbraw/zinc/85/92/87/1205859287.db2.gz WVYPSQYSHSFJSU-KRWDZBQOSA-N 2 0 336.480 2.184 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)ccn2)CC1 ZINC000924687920 1206018145 /nfs/dbraw/zinc/01/81/45/1206018145.db2.gz CZVBRQGDFGMZQB-UYAOXDASSA-N 2 0 344.503 2.128 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000925106302 1206070202 /nfs/dbraw/zinc/07/02/02/1206070202.db2.gz ILDINPLAFJQZGS-YOFSQIOKSA-N 2 0 341.499 2.469 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326825 1206097554 /nfs/dbraw/zinc/09/75/54/1206097554.db2.gz NHIZITZWEFZXGI-LMMKCTJWSA-N 2 0 344.503 2.385 10 0 EEAERP C[NH+]1CCC(CN[C@@H]2CC[NH2+]C23CCCC3)(N2CCCCC2)CC1 ZINC000925513791 1206121517 /nfs/dbraw/zinc/12/15/17/1206121517.db2.gz LWIPURYBTQTVRO-GOSISDBHSA-N 2 0 334.552 2.201 10 0 EEAERP CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)ncn1 ZINC000925619827 1206136515 /nfs/dbraw/zinc/13/65/15/1206136515.db2.gz BPQFJQSJNMAFOO-ZAWLATJESA-N 2 0 343.519 2.374 10 0 EEAERP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C12CCC2 ZINC000925672034 1206142440 /nfs/dbraw/zinc/14/24/40/1206142440.db2.gz GHTSGLYPGWDWKS-FRRDWIJNSA-N 2 0 333.398 2.179 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC(C)(C)CO2)CC[NH2+]CC1 ZINC000925734039 1206147843 /nfs/dbraw/zinc/14/78/43/1206147843.db2.gz ZMURFZIWKVENLT-LSDHHAIUSA-N 2 0 326.481 2.103 10 0 EEAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000925794500 1206154300 /nfs/dbraw/zinc/15/43/00/1206154300.db2.gz FJDIZIPTGSSEMY-LFGUQSLTSA-N 2 0 331.504 2.284 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC12CC[NH2+]CC2 ZINC000925849456 1206160444 /nfs/dbraw/zinc/16/04/44/1206160444.db2.gz JHDZWZDEYBVSSL-JQHSSLGASA-N 2 0 343.471 2.383 10 0 EEAERP c1ccc(CN2CCC([NH2+]CCCCCN3CC[NH2+]CC3)CC2)cc1 ZINC000925849230 1206160467 /nfs/dbraw/zinc/16/04/67/1206160467.db2.gz NFBKQFZXEIHWID-UHFFFAOYSA-N 2 0 344.547 2.316 10 0 EEAERP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852453 1206161002 /nfs/dbraw/zinc/16/10/02/1206161002.db2.gz UXFFMFCPOJPWHC-UAGQMJEPSA-N 2 0 332.444 2.038 10 0 EEAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925854590 1206161223 /nfs/dbraw/zinc/16/12/23/1206161223.db2.gz NHLQXWXVLBZEOD-JSGCOSHPSA-N 2 0 336.407 2.170 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925909129 1206166758 /nfs/dbraw/zinc/16/67/58/1206166758.db2.gz CBAIOKGJIKIUQK-KBAYOESNSA-N 2 0 347.507 2.056 10 0 EEAERP C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)COc3ccc4cc[nH]c4c3)C2)C1 ZINC000930575601 1206567812 /nfs/dbraw/zinc/56/78/12/1206567812.db2.gz BOTLYZVCMJUZIW-XLIONFOSSA-N 2 0 343.471 2.325 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(CC[NH+]3CCCC3)C2)O1 ZINC000931704462 1207444653 /nfs/dbraw/zinc/44/46/53/1207444653.db2.gz POXHBRXPJBCBEF-FPOVZHCZSA-N 2 0 343.515 2.448 10 0 EEAERP CN(C)c1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000795311783 1212501429 /nfs/dbraw/zinc/50/14/29/1212501429.db2.gz SPCUCYVAWKBRPY-LJQANCHMSA-N 2 0 330.476 2.109 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000902958131 1239193024 /nfs/dbraw/zinc/19/30/24/1239193024.db2.gz NZGUPOVGTRPIHS-WMZOPIPTSA-N 2 0 347.507 2.248 10 0 EEAERP c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903878306 1242289143 /nfs/dbraw/zinc/28/91/43/1242289143.db2.gz FXIJNURTFXHLNL-YNBOMUFVSA-N 2 0 325.460 2.439 10 0 EEAERP c1ccc(OCCN2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903878490 1242290772 /nfs/dbraw/zinc/29/07/72/1242290772.db2.gz WBJJNPSEGNHNLM-YQQQUEKLSA-N 2 0 329.488 2.214 10 0 EEAERP CCCC[N@H+](C)CC1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903880010 1242294997 /nfs/dbraw/zinc/29/49/97/1242294997.db2.gz MNWBICPIULCKQB-GOSISDBHSA-N 2 0 348.539 2.147 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903918253 1242480193 /nfs/dbraw/zinc/48/01/93/1242480193.db2.gz VTVSFZVDAVGRBB-HKUYNNGSSA-N 2 0 342.491 2.116 10 0 EEAERP COc1ccc(C(C)(C)[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1F ZINC000903934673 1242562913 /nfs/dbraw/zinc/56/29/13/1242562913.db2.gz IGVUXVJHYHIXDE-AWEZNQCLSA-N 2 0 347.438 2.375 10 0 EEAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955952 1242705244 /nfs/dbraw/zinc/70/52/44/1242705244.db2.gz CUWJKBCSALYDPO-QWHCGFSZSA-N 2 0 341.402 2.247 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000903964685 1242759349 /nfs/dbraw/zinc/75/93/49/1242759349.db2.gz ORBJYWIBUDZOCQ-PWSUYJOCSA-N 2 0 341.249 2.165 10 0 EEAERP C[C@@H]1C[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@H]1CC[NH3+] ZINC000903977503 1242826196 /nfs/dbraw/zinc/82/61/96/1242826196.db2.gz QVWLKMSDGYDHDC-VXGBXAGGSA-N 2 0 337.830 2.477 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCOC(C)C)C1 ZINC001491108959 1258696570 /nfs/dbraw/zinc/69/65/70/1258696570.db2.gz FKCBXQYKTVPUKO-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001491365093 1259005861 /nfs/dbraw/zinc/00/58/61/1259005861.db2.gz OOCBTNWKWXAIBG-UHFFFAOYSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001491472525 1259117668 /nfs/dbraw/zinc/11/76/68/1259117668.db2.gz CERQYGOJRJIEPB-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001491505673 1259156534 /nfs/dbraw/zinc/15/65/34/1259156534.db2.gz OSLUTGYWJAVOTO-DZGCQCFKSA-N 2 0 331.451 2.391 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)c(C)n1 ZINC001480922702 1276635071 /nfs/dbraw/zinc/63/50/71/1276635071.db2.gz DTGTUGUFRJDAAF-MOPGFXCFSA-N 2 0 344.503 2.263 10 0 EEAERP C[NH2+]CCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000851676536 1277714779 /nfs/dbraw/zinc/71/47/79/1277714779.db2.gz KAVQLZJFSOQKHO-SFHVURJKSA-N 2 0 344.503 2.150 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273753507 1284820735 /nfs/dbraw/zinc/82/07/35/1284820735.db2.gz UCBMIGVCWPVBFW-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCOCC1 ZINC001489330745 1290513559 /nfs/dbraw/zinc/51/35/59/1290513559.db2.gz NDEMPYNNFDZQKS-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H]1CCc2c1cccc2F ZINC001490279740 1291106488 /nfs/dbraw/zinc/10/64/88/1291106488.db2.gz OIGFDCCIVQJWOO-SFHVURJKSA-N 2 0 333.451 2.347 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)C1 ZINC001490549768 1291423504 /nfs/dbraw/zinc/42/35/04/1291423504.db2.gz GLTRTZZONLAPAA-DLBZAZTESA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740751 1291653744 /nfs/dbraw/zinc/65/37/44/1291653744.db2.gz FWQINURWTFONHE-MOPGFXCFSA-N 2 0 344.503 2.186 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)CC3([NH3+])CC3)cc2F)CC1 ZINC000852866444 1292220848 /nfs/dbraw/zinc/22/08/48/1292220848.db2.gz XHKBTXVLUCAAIY-UHFFFAOYSA-N 2 0 334.439 2.176 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852907350 1292230942 /nfs/dbraw/zinc/23/09/42/1292230942.db2.gz JQNLLJQSFAPMKS-IBGZPJMESA-N 2 0 327.472 2.072 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCCOC3)C2)ccn1 ZINC000856553874 1293565220 /nfs/dbraw/zinc/56/52/20/1293565220.db2.gz YGYIKOJXQGBSPL-LPHOPBHVSA-N 2 0 333.476 2.413 10 0 EEAERP CCOC(=O)C1=CC[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000862488861 1295856463 /nfs/dbraw/zinc/85/64/63/1295856463.db2.gz SUAAQWBPRNRVDN-INIZCTEOSA-N 2 0 326.400 2.317 10 0 EEAERP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000863550133 1296329140 /nfs/dbraw/zinc/32/91/40/1296329140.db2.gz ZFEWVHWQYGXSJK-AHCXZYCDSA-N 2 0 335.492 2.460 10 0 EEAERP c1c([C@@H]2CCC[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000886841677 1296775416 /nfs/dbraw/zinc/77/54/16/1296775416.db2.gz SELPMAUENDPAEE-KURKYZTESA-N 2 0 343.519 2.435 10 0 EEAERP C[NH+]1C[C@@]2(C)CN(CCC(=O)N3CCOc4ccccc43)C[C@]2(C)C1 ZINC000931315086 1297131041 /nfs/dbraw/zinc/13/10/41/1297131041.db2.gz UEOCNESDKVDBCQ-PMACEKPBSA-N 2 0 343.471 2.076 10 0 EEAERP Cc1ccc(OCCC[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001491548056 1301395948 /nfs/dbraw/zinc/39/59/48/1301395948.db2.gz NZSSXODWYYDUSI-IEBWSBKVSA-N 2 0 347.503 2.261 10 0 EEAERP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001277315473 1302327527 /nfs/dbraw/zinc/32/75/27/1302327527.db2.gz VILUIYIKQJLIJQ-INIZCTEOSA-N 2 0 346.519 2.496 10 0 EEAERP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841021048 1315456866 /nfs/dbraw/zinc/45/68/66/1315456866.db2.gz YNAUNDAWKLBYFM-VKJFTORMSA-N 2 0 331.460 2.486 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(Cl)n1 ZINC000841851137 1315623290 /nfs/dbraw/zinc/62/32/90/1315623290.db2.gz GDWGJUDGGAUEPH-INIZCTEOSA-N 2 0 344.846 2.353 10 0 EEAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001278526319 1317142814 /nfs/dbraw/zinc/14/28/14/1317142814.db2.gz ICIGXDQLNAFHQW-FUHWJXTLSA-N 2 0 337.508 2.033 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001278681266 1317685866 /nfs/dbraw/zinc/68/58/66/1317685866.db2.gz BUORSNQABNSYFU-WMZOPIPTSA-N 2 0 336.480 2.089 10 0 EEAERP COCCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001278972921 1318888669 /nfs/dbraw/zinc/88/86/69/1318888669.db2.gz LFKLMZMZLUKHMP-CVEARBPZSA-N 2 0 327.513 2.018 10 0 EEAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264625556 1322752937 /nfs/dbraw/zinc/75/29/37/1322752937.db2.gz IAHANEUFRUFFCW-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001265052417 1322891140 /nfs/dbraw/zinc/89/11/40/1322891140.db2.gz OUDVFHVCTKTDMI-UHFFFAOYSA-N 2 0 347.503 2.044 10 0 EEAERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)C[C@H]1CC(C)(C)CO1 ZINC001265072882 1322907399 /nfs/dbraw/zinc/90/73/99/1322907399.db2.gz IQDIMYSKDYENCT-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001265390857 1323120800 /nfs/dbraw/zinc/12/08/00/1323120800.db2.gz OVEIDXSZZDQAIO-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP CN(C)c1ccccc1C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265953761 1323516118 /nfs/dbraw/zinc/51/61/18/1323516118.db2.gz FEODABQPRBEETL-KRWDZBQOSA-N 2 0 346.519 2.033 10 0 EEAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)[NH+](C)C ZINC001265956240 1323518431 /nfs/dbraw/zinc/51/84/31/1323518431.db2.gz GNNQSPWLCODEIE-HUUCEWRRSA-N 2 0 333.467 2.446 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)CCC1CCOCC1 ZINC001265978470 1323538753 /nfs/dbraw/zinc/53/87/53/1323538753.db2.gz OCIHFQWDMORRAT-CALCHBBNSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001266036640 1323587809 /nfs/dbraw/zinc/58/78/09/1323587809.db2.gz ATCXXCNHEUKSLV-DLBZAZTESA-N 2 0 335.517 2.071 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCOC3CCC3)C2)CCC1 ZINC001266060251 1323612708 /nfs/dbraw/zinc/61/27/08/1323612708.db2.gz SHJRSNNKQBGOSG-JKSUJKDBSA-N 2 0 337.508 2.057 10 0 EEAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001266074980 1323631234 /nfs/dbraw/zinc/63/12/34/1323631234.db2.gz HJRAMBYRFPXSTO-HOTGVXAUSA-N 2 0 325.472 2.239 10 0 EEAERP C[N@H+](CCc1ccccc1)CC(=O)NCC1=CC[NH+](CC2CC2)CC1 ZINC001279635702 1323967233 /nfs/dbraw/zinc/96/72/33/1323967233.db2.gz ARICILJUWWKHJD-UHFFFAOYSA-N 2 0 341.499 2.319 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001280297123 1324148251 /nfs/dbraw/zinc/14/82/51/1324148251.db2.gz QWYNFUDTVWGISV-QGZVFWFLSA-N 2 0 347.478 2.292 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001280733136 1324453670 /nfs/dbraw/zinc/45/36/70/1324453670.db2.gz NABQZSMDWMAMCK-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP COCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001280745910 1324471891 /nfs/dbraw/zinc/47/18/91/1324471891.db2.gz FCHPDJIKEHMBAF-INIZCTEOSA-N 2 0 344.459 2.264 10 0 EEAERP CCCCOCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001280996947 1324704932 /nfs/dbraw/zinc/70/49/32/1324704932.db2.gz YBXPRSWQLRDJAD-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)CCCC[NH+](C)C)CC2)n1 ZINC001281526721 1325227363 /nfs/dbraw/zinc/22/73/63/1325227363.db2.gz HNZJHXYYFNXRML-UHFFFAOYSA-N 2 0 349.523 2.106 10 0 EEAERP CC(C)COCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001282270224 1325673209 /nfs/dbraw/zinc/67/32/09/1325673209.db2.gz MEFLZOPHCZKLKY-DAWZGUTISA-N 2 0 339.524 2.112 10 0 EEAERP COCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001282723746 1325772655 /nfs/dbraw/zinc/77/26/55/1325772655.db2.gz AIEKIQCYKSFANB-HNNXBMFYSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001282993490 1325872093 /nfs/dbraw/zinc/87/20/93/1325872093.db2.gz ZXNXKEHKWKSJBH-KDURUIRLSA-N 2 0 333.520 2.465 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001283042949 1325896930 /nfs/dbraw/zinc/89/69/30/1325896930.db2.gz ABHQKCFZMZTWNS-JYJNAYRXSA-N 2 0 327.488 2.483 10 0 EEAERP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]cn3)CCC[C@H]12 ZINC001284066414 1326390122 /nfs/dbraw/zinc/39/01/22/1326390122.db2.gz GPUJQOPLWXDOBS-HHXXYDBFSA-N 2 0 348.491 2.128 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C ZINC001284644354 1326644744 /nfs/dbraw/zinc/64/47/44/1326644744.db2.gz XOYNGIAOCLROBK-APWZRJJASA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CCOC2CCC2)CC1 ZINC001284928939 1326780457 /nfs/dbraw/zinc/78/04/57/1326780457.db2.gz SDYLBAMTNFUADQ-SFHVURJKSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1noc(C)c1C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001284977426 1326806582 /nfs/dbraw/zinc/80/65/82/1326806582.db2.gz WFUYZYVEGWKBDX-SFHVURJKSA-N 2 0 348.491 2.126 10 0 EEAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491819348 1330262914 /nfs/dbraw/zinc/26/29/14/1330262914.db2.gz DUIUGSPZEKNARD-HZPDHXFCSA-N 2 0 341.459 2.365 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCc2ccc(CC[NH2+]CCCF)cc2)CC[N@@H+]1C ZINC001491900672 1330296217 /nfs/dbraw/zinc/29/62/17/1330296217.db2.gz SYXQPXYOHLBYGL-CRAIPNDOSA-N 2 0 335.467 2.135 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CC[C@@H]2CCCO2)C1 ZINC001491959636 1330353779 /nfs/dbraw/zinc/35/37/79/1330353779.db2.gz OCDJJVUUICKPJX-ROUUACIJSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492129920 1330983059 /nfs/dbraw/zinc/98/30/59/1330983059.db2.gz UZBOONXQTWDNPL-PBHICJAKSA-N 2 0 336.480 2.088 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccc(F)cn1 ZINC001492143999 1331005485 /nfs/dbraw/zinc/00/54/85/1331005485.db2.gz OQUSXVOISNTGSQ-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1cc(C)cc(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001492257682 1331119369 /nfs/dbraw/zinc/11/93/69/1331119369.db2.gz SCFRNNWQGNKURV-LJQANCHMSA-N 2 0 329.488 2.193 10 0 EEAERP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316839683 1331392105 /nfs/dbraw/zinc/39/21/05/1331392105.db2.gz GVKURENMIWNYQE-UHFFFAOYSA-N 2 0 336.480 2.104 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cncc(F)c1 ZINC001316824492 1331856695 /nfs/dbraw/zinc/85/66/95/1331856695.db2.gz IPGQJUWYWYMDBR-QGZVFWFLSA-N 2 0 336.455 2.032 10 0 EEAERP C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882805 1331949620 /nfs/dbraw/zinc/94/96/20/1331949620.db2.gz VEMAMENFLAJNDU-IAGOWNOFSA-N 2 0 349.523 2.011 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1cncc(C)c1 ZINC001316895521 1331962436 /nfs/dbraw/zinc/96/24/36/1331962436.db2.gz MILRDLZOPRCJID-UHFFFAOYSA-N 2 0 344.503 2.347 10 0 EEAERP C[C@@H]1CC[C@H](C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)O1 ZINC001316935821 1332001471 /nfs/dbraw/zinc/00/14/71/1332001471.db2.gz PLSGVAKEKHLXIR-SJLPKXTDSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001317297044 1332168730 /nfs/dbraw/zinc/16/87/30/1332168730.db2.gz MJSICPAPRXKCEB-PKOBYXMFSA-N 2 0 345.487 2.130 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317601090 1332319785 /nfs/dbraw/zinc/31/97/85/1332319785.db2.gz QNKKAVMSABJHGZ-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccccn1)[NH+]1CCCCC1 ZINC001317663510 1332358127 /nfs/dbraw/zinc/35/81/27/1332358127.db2.gz GPCFBICRRLSGPB-GOSISDBHSA-N 2 0 332.492 2.140 10 0 EEAERP COc1ccncc1CC(=O)NCC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001317788028 1332408796 /nfs/dbraw/zinc/40/87/96/1332408796.db2.gz HXMGVIFINBZUKD-INIZCTEOSA-N 2 0 331.460 2.427 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCOC(C)C ZINC001319132564 1332654275 /nfs/dbraw/zinc/65/42/75/1332654275.db2.gz PZAYDRPCZIHTEJ-QZTJIDSGSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCCCF)CCCC2)CC[N@@H+]1C ZINC001319353892 1332690082 /nfs/dbraw/zinc/69/00/82/1332690082.db2.gz XKYMDAQFJWLZHM-HZPDHXFCSA-N 2 0 327.488 2.485 10 0 EEAERP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319609394 1332728457 /nfs/dbraw/zinc/72/84/57/1332728457.db2.gz LRWAJNSJMRBCMT-MCIOBPLBSA-N 2 0 327.900 2.201 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001320998994 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AIMYDFMOUGRWFZ-PXPVJAHISA-N 2 0 348.466 2.056 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001321991420 1333191799 /nfs/dbraw/zinc/19/17/99/1333191799.db2.gz NPAWEPKHXHZRKP-MSOLQXFVSA-N 2 0 331.504 2.364 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)cn1 ZINC001324261446 1333644807 /nfs/dbraw/zinc/64/48/07/1333644807.db2.gz QYLRSLFBFMFMMV-IAGOWNOFSA-N 2 0 347.507 2.159 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001324286077 1333649958 /nfs/dbraw/zinc/64/99/58/1333649958.db2.gz NZVZDCFNPKJJDH-SFHVURJKSA-N 2 0 347.503 2.295 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001325561275 1333912219 /nfs/dbraw/zinc/91/22/19/1333912219.db2.gz JLSHRLBYBPEMQI-MJGOQNOKSA-N 2 0 331.504 2.255 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001326333093 1334070366 /nfs/dbraw/zinc/07/03/66/1334070366.db2.gz OHKFXMOXASPUPZ-HOTGVXAUSA-N 2 0 327.488 2.437 10 0 EEAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001327034615 1334208174 /nfs/dbraw/zinc/20/81/74/1334208174.db2.gz MIMKANGWYVWCRX-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001327531921 1334311137 /nfs/dbraw/zinc/31/11/37/1334311137.db2.gz WAIURIINICCJMJ-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001327568628 1334316358 /nfs/dbraw/zinc/31/63/58/1334316358.db2.gz HQTCSJHEVNLHPP-VQIMIIECSA-N 2 0 341.540 2.096 10 0 EEAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001328282070 1334436171 /nfs/dbraw/zinc/43/61/71/1334436171.db2.gz XQVZUJBOZOIQAJ-DLBZAZTESA-N 2 0 337.508 2.033 10 0 EEAERP CCOCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001329923266 1334740384 /nfs/dbraw/zinc/74/03/84/1334740384.db2.gz ITWYCFPFFNUHRT-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001330700146 1334888899 /nfs/dbraw/zinc/88/88/99/1334888899.db2.gz JVZOMSAIZMPTSB-ZAQGJOAASA-N 2 0 327.472 2.136 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001330822613 1334909856 /nfs/dbraw/zinc/90/98/56/1334909856.db2.gz VBSUVSACBBHLCB-DYVFJYSZSA-N 2 0 348.491 2.008 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001332064119 1335717211 /nfs/dbraw/zinc/71/72/11/1335717211.db2.gz LFPYGNQSRXGJHT-IRXDYDNUSA-N 2 0 337.508 2.011 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001332184903 1335756728 /nfs/dbraw/zinc/75/67/28/1335756728.db2.gz LRJQTRLJZVXXAE-IAGOWNOFSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332427031 1335822117 /nfs/dbraw/zinc/82/21/17/1335822117.db2.gz HSXCTOKCJWSHPY-HOTGVXAUSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)c1ocnc1CN1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001333390747 1336030302 /nfs/dbraw/zinc/03/03/02/1336030302.db2.gz MGPWDYNBYRDQPJ-UHFFFAOYSA-N 2 0 348.491 2.388 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C/C=C\Cl)cc2F)C1 ZINC001333478947 1336056582 /nfs/dbraw/zinc/05/65/82/1336056582.db2.gz GJFSIHNWBPNUPO-ZBBQIYFKSA-N 2 0 339.842 2.236 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1ccnc(Cl)c1 ZINC001479815322 1337394034 /nfs/dbraw/zinc/39/40/34/1337394034.db2.gz GSOIGELQPRVWAX-UHFFFAOYSA-N 2 0 326.872 2.013 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC[C@H]1CCCCO1 ZINC001479816673 1337399498 /nfs/dbraw/zinc/39/94/98/1337399498.db2.gz WVZLBZNPHXKVJW-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000847355246 1337973503 /nfs/dbraw/zinc/97/35/03/1337973503.db2.gz SFXMURYSEUNGQE-MRXNPFEDSA-N 2 0 330.476 2.109 10 0 EEAERP COCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001667459359 1355745102 /nfs/dbraw/zinc/74/51/02/1355745102.db2.gz TVPGUWRCVHLGIV-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001668214612 1355900605 /nfs/dbraw/zinc/90/06/05/1355900605.db2.gz MKINWAZIZYYGFO-ZDUSSCGKSA-N 2 0 326.510 2.105 10 0 EEAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001668214611 1355900719 /nfs/dbraw/zinc/90/07/19/1355900719.db2.gz MKINWAZIZYYGFO-CYBMUJFWSA-N 2 0 326.510 2.105 10 0 EEAERP Cc1conc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001436392037 1342068796 /nfs/dbraw/zinc/06/87/96/1342068796.db2.gz KNHYZLPVICMXAR-ULQDDVLXSA-N 2 0 348.491 2.232 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC[C@H](C)F)C2)CC1 ZINC001436392466 1342069594 /nfs/dbraw/zinc/06/95/94/1342069594.db2.gz SYHGRIBIQUUOCY-ZOBUZTSGSA-N 2 0 327.488 2.339 10 0 EEAERP Cc1ncc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001500372756 1342181597 /nfs/dbraw/zinc/18/15/97/1342181597.db2.gz UCEFCNHOYFQKAP-QOKNQOGYSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1conc1C[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500392540 1342185385 /nfs/dbraw/zinc/18/53/85/1342185385.db2.gz CXBKEMNMVVSXNX-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP COc1cccc(CCC[NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001567051424 1342686515 /nfs/dbraw/zinc/68/65/15/1342686515.db2.gz VCKUIUQRTIOWQE-MRXNPFEDSA-N 2 0 347.503 2.064 10 0 EEAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1)C1CCC1 ZINC001567128882 1342697459 /nfs/dbraw/zinc/69/74/59/1342697459.db2.gz XAIIIODQKLPFSU-HNNXBMFYSA-N 2 0 335.517 2.213 10 0 EEAERP O=C(N1CC[C@H](C[NH2+]CCC(F)(F)F)C1)C12CCC[NH+]1CCC2 ZINC001567129832 1342697564 /nfs/dbraw/zinc/69/75/64/1342697564.db2.gz AMRAACGCLLWKNL-CYBMUJFWSA-N 2 0 333.398 2.005 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507925 1342774916 /nfs/dbraw/zinc/77/49/16/1342774916.db2.gz MTCOFRIGBWEYHX-UHFFFAOYSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570674130 1343100196 /nfs/dbraw/zinc/10/01/96/1343100196.db2.gz SUZHWCMVBUTJOT-QZDDGCDVSA-N 2 0 327.900 2.155 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC=C(Cl)Cl)C2CC2)C1 ZINC001676249916 1357126729 /nfs/dbraw/zinc/12/67/29/1357126729.db2.gz QKULVWQSXIBKAC-TZMCWYRMSA-N 2 0 348.318 2.474 10 0 EEAERP C[NH+]1CCC(CC(=O)NCc2ccc(C[NH2+]CCF)cc2F)CC1 ZINC001677648085 1357382649 /nfs/dbraw/zinc/38/26/49/1357382649.db2.gz BXSAKPHTWRQPHC-UHFFFAOYSA-N 2 0 339.430 2.233 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC001649836237 1353620108 /nfs/dbraw/zinc/62/01/08/1353620108.db2.gz NIYYPMRDEDUXRL-ZDUSSCGKSA-N 2 0 334.439 2.325 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251031 1353941693 /nfs/dbraw/zinc/94/16/93/1353941693.db2.gz IDHJJGOXWNCHBX-HUUCEWRRSA-N 2 0 338.521 2.344 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001656188291 1354212490 /nfs/dbraw/zinc/21/24/90/1354212490.db2.gz RZMMNTPCQLICRV-FHWLQOOXSA-N 2 0 329.488 2.198 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001661027832 1354576013 /nfs/dbraw/zinc/57/60/13/1354576013.db2.gz CROBYANRQNPMMM-ROUUACIJSA-N 2 0 339.524 2.257 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCCOC)CC[C@@H]21 ZINC001661554891 1354656775 /nfs/dbraw/zinc/65/67/75/1354656775.db2.gz HRLJZRFDUFSAMI-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001661555202 1354656847 /nfs/dbraw/zinc/65/68/47/1354656847.db2.gz KPIRSYNKEZUUBF-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1conc1C[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001662138359 1354754008 /nfs/dbraw/zinc/75/40/08/1354754008.db2.gz JAEASJQHOIWCFO-UHFFFAOYSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325952 1354780896 /nfs/dbraw/zinc/78/08/96/1354780896.db2.gz WQULRFMKWPLPNH-KRWDZBQOSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1ccnc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001662791013 1354847864 /nfs/dbraw/zinc/84/78/64/1354847864.db2.gz MNOSTYINBBHJNB-IRXDYDNUSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001663928015 1355055300 /nfs/dbraw/zinc/05/53/00/1355055300.db2.gz OTSMBMIEHXEIHN-GOSISDBHSA-N 2 0 332.492 2.119 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001664391334 1355153202 /nfs/dbraw/zinc/15/32/02/1355153202.db2.gz IMILSVKHKUMLSQ-HZPDHXFCSA-N 2 0 349.523 2.193 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001666031615 1355428313 /nfs/dbraw/zinc/42/83/13/1355428313.db2.gz DXFUDAPODQNBNV-WFASDCNBSA-N 2 0 335.414 2.155 10 0 EEAERP O=C(N1CCC(CC[NH2+]CC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001666256450 1355497318 /nfs/dbraw/zinc/49/73/18/1355497318.db2.gz MPJNRXYIDRYAST-UHFFFAOYSA-N 2 0 333.520 2.491 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)c1 ZINC001666453899 1355528646 /nfs/dbraw/zinc/52/86/46/1355528646.db2.gz DDUDWCDXWWOGOB-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001667024539 1355635190 /nfs/dbraw/zinc/63/51/90/1355635190.db2.gz ZURUTSAWISDXDL-MRXNPFEDSA-N 2 0 341.540 2.360 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667032888 1355635926 /nfs/dbraw/zinc/63/59/26/1355635926.db2.gz GASGSMDOFZIADJ-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H](CC[NH2+]C[C@H]1CCCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668060670 1355859369 /nfs/dbraw/zinc/85/93/69/1355859369.db2.gz QLTNHWOLWFVHQS-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116926 1355875021 /nfs/dbraw/zinc/87/50/21/1355875021.db2.gz BNVZZDSOHIYKHX-RHSMWYFYSA-N 2 0 336.480 2.088 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001668834423 1356016876 /nfs/dbraw/zinc/01/68/76/1356016876.db2.gz XGHMACQOUMSRFE-UIXCXIJASA-N 2 0 340.471 2.270 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001669138877 1356104630 /nfs/dbraw/zinc/10/46/30/1356104630.db2.gz KKTVKICYRBHWFR-ARJAWSKDSA-N 2 0 327.472 2.161 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC001672816533 1356591585 /nfs/dbraw/zinc/59/15/85/1356591585.db2.gz RDEMWYMTLVVRIA-RDJZCZTQSA-N 2 0 348.491 2.050 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001672863123 1356602028 /nfs/dbraw/zinc/60/20/28/1356602028.db2.gz DZVFFCHVQMWEHN-LOKCTGBGSA-N 2 0 336.307 2.474 10 0 EEAERP Cn1cncc1C[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001675271214 1356956945 /nfs/dbraw/zinc/95/69/45/1356956945.db2.gz YQTCPFSICZXNCO-KRWDZBQOSA-N 2 0 349.523 2.013 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692121020 1404983451 /nfs/dbraw/zinc/98/34/51/1404983451.db2.gz MIAHSKOQUKWIBE-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC[NH2+]CC[C@@H]1CCOC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699101818 1405254565 /nfs/dbraw/zinc/25/45/65/1405254565.db2.gz XQGJGTMWYSGBOA-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)oc1C ZINC001699109079 1405265336 /nfs/dbraw/zinc/26/53/36/1405265336.db2.gz YHQVYMLRFXSBTR-CXAGYDPISA-N 2 0 336.480 2.150 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001699843705 1405523279 /nfs/dbraw/zinc/52/32/79/1405523279.db2.gz COTFDGGQIMGSCH-ZWKOTPCHSA-N 2 0 345.478 2.387 10 0 EEAERP C[C@@H]([NH2+]CCCc1ccsc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001699944838 1405594088 /nfs/dbraw/zinc/59/40/88/1405594088.db2.gz PSBGCFGZMLGCRY-WBVHZDCISA-N 2 0 337.533 2.459 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261642920 779611296 /nfs/dbraw/zinc/61/12/96/779611296.db2.gz AUXZQLQGEXZRBZ-KDURUIRLSA-N 2 0 341.499 2.300 10 0 EEAERP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000819058766 785378895 /nfs/dbraw/zinc/37/88/95/785378895.db2.gz PBKDWSCJEBEJMT-FQEVSTJZSA-N 2 0 333.520 2.344 10 0 EEAERP CCC1(C[NH2+]CCS(C)(=O)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000819191311 785455392 /nfs/dbraw/zinc/45/53/92/785455392.db2.gz WYZBLLLDDVNRLO-UHFFFAOYSA-N 2 0 338.517 2.313 10 0 EEAERP CC[NH+](CC)CCOc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000912326146 788117687 /nfs/dbraw/zinc/11/76/87/788117687.db2.gz FQIRIZHJRCOFBG-UHFFFAOYSA-N 2 0 345.487 2.327 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711282400 788609050 /nfs/dbraw/zinc/60/90/50/788609050.db2.gz NCAGYCBXGWRZKS-MSOLQXFVSA-N 2 0 329.488 2.213 10 0 EEAERP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183343 788891949 /nfs/dbraw/zinc/89/19/49/788891949.db2.gz YHHZPMICMQWRMY-QGZVFWFLSA-N 2 0 333.476 2.368 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)ccn2)CC1 ZINC000921538323 789120217 /nfs/dbraw/zinc/12/02/17/789120217.db2.gz IQGCIALAFSXJDH-CEXWTWQISA-N 2 0 344.503 2.128 10 0 EEAERP CCCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000923298937 789331755 /nfs/dbraw/zinc/33/17/55/789331755.db2.gz ZWYLQGODFCRKTC-NPYXIHBLSA-N 2 0 328.522 2.196 10 0 EEAERP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923309068 789365542 /nfs/dbraw/zinc/36/55/42/789365542.db2.gz QGJZVXDCRQNLLP-MOPGFXCFSA-N 2 0 346.471 2.055 10 0 EEAERP Cc1ccc(N2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@H](C)C2)cc1C ZINC000923324380 789382876 /nfs/dbraw/zinc/38/28/76/789382876.db2.gz GJWPPYTVWVNVPK-MJGOQNOKSA-N 2 0 329.488 2.192 10 0 EEAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549546 789763370 /nfs/dbraw/zinc/76/33/70/789763370.db2.gz LIVHBSSWCPWXCI-UFYCRDLUSA-N 2 0 332.488 2.056 10 0 EEAERP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687518 794105782 /nfs/dbraw/zinc/10/57/82/794105782.db2.gz MIELKEDEZAKGHF-MUGJNUQGSA-N 2 0 339.483 2.489 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000914150219 795002685 /nfs/dbraw/zinc/00/26/85/795002685.db2.gz MINYNGRPMXEAMY-BZSNNMDCSA-N 2 0 345.491 2.000 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000914150301 795003072 /nfs/dbraw/zinc/00/30/72/795003072.db2.gz MINYNGRPMXEAMY-SQNIBIBYSA-N 2 0 345.491 2.000 10 0 EEAERP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726589 796448548 /nfs/dbraw/zinc/44/85/48/796448548.db2.gz DEGDMOOEHCELJE-XFUTXVRSSA-N 2 0 327.472 2.296 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(C[NH+]2CCCC2)CC1 ZINC000916019728 797477555 /nfs/dbraw/zinc/47/75/55/797477555.db2.gz UUKJIQVULBRNDL-KRWDZBQOSA-N 2 0 338.565 2.153 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000922077353 798832416 /nfs/dbraw/zinc/83/24/16/798832416.db2.gz OPUUADPQSMTVFE-PKOBYXMFSA-N 2 0 330.476 2.044 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCCOC(C)C ZINC001566012426 1125500240 /nfs/dbraw/zinc/50/02/40/1125500240.db2.gz LYPKILDMFYKDRR-ZJPYXAASSA-N 2 0 339.524 2.111 10 0 EEAERP Cc1ccc(CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001436401304 1087747700 /nfs/dbraw/zinc/74/77/00/1087747700.db2.gz GHIMSCHFIZELEN-WGSAOQKQSA-N 2 0 331.504 2.362 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001436447082 1087866951 /nfs/dbraw/zinc/86/69/51/1087866951.db2.gz SMVGAAVJHFANPC-FGTMMUONSA-N 2 0 339.524 2.255 10 0 EEAERP CCc1nocc1C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001436802516 1088382199 /nfs/dbraw/zinc/38/21/99/1088382199.db2.gz ODSSEQGEFWOVQN-KRWDZBQOSA-N 2 0 348.491 2.096 10 0 EEAERP CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001436961873 1088652573 /nfs/dbraw/zinc/65/25/73/1088652573.db2.gz YYKXGENJEFXBOZ-CEXWTWQISA-N 2 0 331.504 2.369 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1)[NH+](C)C ZINC001436977052 1088673086 /nfs/dbraw/zinc/67/30/86/1088673086.db2.gz QZIXXJRBKFEZCD-XCLNPWKQSA-N 2 0 343.515 2.369 10 0 EEAERP COc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001437170613 1089193266 /nfs/dbraw/zinc/19/32/66/1089193266.db2.gz QUQFWDUXYJZCLZ-JKSUJKDBSA-N 2 0 345.487 2.479 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001437369281 1089606525 /nfs/dbraw/zinc/60/65/25/1089606525.db2.gz AINPSNMMEOVSEF-GDBMZVCRSA-N 2 0 348.491 2.124 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1csc(C)n1 ZINC001437379822 1089625265 /nfs/dbraw/zinc/62/52/65/1089625265.db2.gz HWJUCKKMDFEZMD-XJKSGUPXSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCC(C)CC2)c(C)o1 ZINC001437410268 1089690858 /nfs/dbraw/zinc/69/08/58/1089690858.db2.gz QQBGHTWFYZEXEV-CQSZACIVSA-N 2 0 336.480 2.008 10 0 EEAERP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437458910 1089771377 /nfs/dbraw/zinc/77/13/77/1089771377.db2.gz RIYPDSUVUNXPGE-IBGZPJMESA-N 2 0 329.488 2.193 10 0 EEAERP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC[C@H]1CCCCO1 ZINC001437633660 1090151192 /nfs/dbraw/zinc/15/11/92/1090151192.db2.gz SCXVYAVCBYWKJQ-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CCc1ccccc1F ZINC001437701210 1090245057 /nfs/dbraw/zinc/24/50/57/1090245057.db2.gz MHMGFPMLJADOPA-KRWDZBQOSA-N 2 0 333.451 2.045 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001437830260 1090418067 /nfs/dbraw/zinc/41/80/67/1090418067.db2.gz IPPWGFAHYQIORM-MRXNPFEDSA-N 2 0 345.487 2.433 10 0 EEAERP Cc1nc(C[NH+]2CC[C@H](CCNC(=O)[C@H]3CCCC[N@H+]3C)C2)oc1C ZINC001437925760 1090518124 /nfs/dbraw/zinc/51/81/24/1090518124.db2.gz BLKYLSHJSJUKCL-DLBZAZTESA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cncc(C)c1 ZINC001438320368 1090795779 /nfs/dbraw/zinc/79/57/79/1090795779.db2.gz FVLHSWGIRNNBMD-QGZVFWFLSA-N 2 0 332.492 2.249 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]Cc3ccc(F)cn3)CCCC2)C1 ZINC001438407858 1090895189 /nfs/dbraw/zinc/89/51/89/1090895189.db2.gz XZZNEDMGFVOHCB-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH2+]Cc2cncs2)cc1 ZINC001438445585 1090949157 /nfs/dbraw/zinc/94/91/57/1090949157.db2.gz GIJMVQPZBOQYGC-UHFFFAOYSA-N 2 0 344.484 2.145 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cnc(C)o2)CCCC1 ZINC001438611726 1091100646 /nfs/dbraw/zinc/10/06/46/1091100646.db2.gz MPEAVEFMVPYFDU-KRWDZBQOSA-N 2 0 348.491 2.376 10 0 EEAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001438613866 1091103423 /nfs/dbraw/zinc/10/34/23/1091103423.db2.gz QJSWRFJJXIVLFS-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1ncoc1C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001438614794 1091103712 /nfs/dbraw/zinc/10/37/12/1091103712.db2.gz ZDOGTEQCDMCGMT-GASCZTMLSA-N 2 0 348.491 2.374 10 0 EEAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001438615136 1091104715 /nfs/dbraw/zinc/10/47/15/1091104715.db2.gz ZQTRVDQHZGMOOB-IRXDYDNUSA-N 2 0 339.524 2.019 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1Cl ZINC001445526204 1091296226 /nfs/dbraw/zinc/29/62/26/1091296226.db2.gz BUCFACZRRPCGGU-WFASDCNBSA-N 2 0 339.867 2.037 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001445559708 1091334681 /nfs/dbraw/zinc/33/46/81/1091334681.db2.gz YZYVFAGOMISNAQ-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccncc1Cl ZINC001445653671 1091442666 /nfs/dbraw/zinc/44/26/66/1091442666.db2.gz DYBXGSFPPUZIRJ-BBRMVZONSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1cncc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001438856611 1091492733 /nfs/dbraw/zinc/49/27/33/1091492733.db2.gz SUDWWNBUANLFRX-SJLPKXTDSA-N 2 0 332.492 2.058 10 0 EEAERP CN(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001438881548 1091526282 /nfs/dbraw/zinc/52/62/82/1091526282.db2.gz NCRJDUKCABOESA-QZTJIDSGSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438956925 1091649635 /nfs/dbraw/zinc/64/96/35/1091649635.db2.gz FMKXYGGZPIFWGX-LSDHHAIUSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439133473 1091778722 /nfs/dbraw/zinc/77/87/22/1091778722.db2.gz ZONHGQUDXXTCGK-MLGOLLRUSA-N 2 0 325.403 2.043 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC001439222892 1091867966 /nfs/dbraw/zinc/86/79/66/1091867966.db2.gz BMKJUMVODDFDAI-TXPKVOOTSA-N 2 0 331.504 2.226 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1 ZINC001445954478 1091899303 /nfs/dbraw/zinc/89/93/03/1091899303.db2.gz CFSNYZSGFPYDQD-ROUUACIJSA-N 2 0 348.466 2.080 10 0 EEAERP O=C(N[C@H](C[NH2+]Cc1ccccc1F)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001445959335 1091906830 /nfs/dbraw/zinc/90/68/30/1091906830.db2.gz YZVYJQGNJSLCJU-IEBWSBKVSA-N 2 0 345.462 2.152 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccccc1Cl)C1CC1 ZINC001445985044 1091950743 /nfs/dbraw/zinc/95/07/43/1091950743.db2.gz HJUKKMKNHVXRMZ-KRWDZBQOSA-N 2 0 335.879 2.420 10 0 EEAERP Cc1ncsc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001439323627 1091999106 /nfs/dbraw/zinc/99/91/06/1091999106.db2.gz HEFVCFREZRFIKW-HIFRSBDPSA-N 2 0 338.521 2.261 10 0 EEAERP CO[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001439782582 1092739366 /nfs/dbraw/zinc/73/93/66/1092739366.db2.gz NDNOUKCSXHPKML-OALUTQOASA-N 2 0 347.503 2.295 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001439830582 1092822401 /nfs/dbraw/zinc/82/24/01/1092822401.db2.gz PACJSYBRPCLASH-FUHWJXTLSA-N 2 0 327.488 2.391 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001439854661 1092875747 /nfs/dbraw/zinc/87/57/47/1092875747.db2.gz RTYPDXUYSPQXDF-HOCLYGCPSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1nc(C)c(C[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001439870638 1092908407 /nfs/dbraw/zinc/90/84/07/1092908407.db2.gz KSLLJMSWHJSCST-QGZVFWFLSA-N 2 0 338.521 2.181 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001439880388 1092929236 /nfs/dbraw/zinc/92/92/36/1092929236.db2.gz BDYICXTTZYTAHO-GOEBONIOSA-N 2 0 331.451 2.202 10 0 EEAERP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439913137 1092986926 /nfs/dbraw/zinc/98/69/26/1092986926.db2.gz LBEKIBGEOWPRTG-WMZOPIPTSA-N 2 0 335.517 2.336 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)co1 ZINC001440133200 1093198912 /nfs/dbraw/zinc/19/89/12/1093198912.db2.gz FZEPSTVBJABXGK-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)no1 ZINC001440137150 1093203000 /nfs/dbraw/zinc/20/30/00/1093203000.db2.gz OZVYRSNGTMYGPU-WBVHZDCISA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@H](C(=O)N1CC2(C1)CC[NH+]([C@H](C)COC)CC2)[NH+](CC)CC ZINC001440229536 1093312926 /nfs/dbraw/zinc/31/29/26/1093312926.db2.gz GSVFZEGWSIUTRD-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001440313104 1093445091 /nfs/dbraw/zinc/44/50/91/1093445091.db2.gz NUIXOVZJQZKNSM-NPYXICJMSA-N 2 0 339.483 2.280 10 0 EEAERP Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001448502753 1093529801 /nfs/dbraw/zinc/52/98/01/1093529801.db2.gz OABHTVOFCCTMIU-BHIYHBOVSA-N 2 0 344.503 2.249 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C/Cl)C1)C12CCC[NH+]1CCC2 ZINC001448513609 1093541353 /nfs/dbraw/zinc/54/13/53/1093541353.db2.gz SANVGNNJVRXACH-FQNMHCGOSA-N 2 0 346.302 2.418 10 0 EEAERP CO[C@@H](C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1)C1CCC1 ZINC001448534206 1093570611 /nfs/dbraw/zinc/57/06/11/1093570611.db2.gz HNJWYAUVHVOMRH-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001448578698 1093629774 /nfs/dbraw/zinc/62/97/74/1093629774.db2.gz AHIQJJIWFXMGAP-IRXDYDNUSA-N 2 0 348.491 2.182 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001440478872 1093709155 /nfs/dbraw/zinc/70/91/55/1093709155.db2.gz XKZVNHYKWNLBRY-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cc(CN[C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC001448705913 1093771581 /nfs/dbraw/zinc/77/15/81/1093771581.db2.gz UVKPYJIAMXABAH-WMLDXEAASA-N 2 0 336.480 2.040 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]Cc2ncc(C)o2)CC1 ZINC001440535764 1093798996 /nfs/dbraw/zinc/79/89/96/1093798996.db2.gz BYQBJUZPHLTAKY-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001440539637 1093806009 /nfs/dbraw/zinc/80/60/09/1093806009.db2.gz SCIMPMQDOJIEGG-LJQANCHMSA-N 2 0 348.491 2.139 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001440598969 1093863360 /nfs/dbraw/zinc/86/33/60/1093863360.db2.gz ZCNPNEVZMSVATH-LRDDRELGSA-N 2 0 338.521 2.037 10 0 EEAERP C[C@@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001440722596 1093965996 /nfs/dbraw/zinc/96/59/96/1093965996.db2.gz RTOCISAPWNBKHM-ZTFGCOKTSA-N 2 0 347.478 2.448 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001449311101 1094264968 /nfs/dbraw/zinc/26/49/68/1094264968.db2.gz SAQRJBQZPIKGLI-GJZGRUSLSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440997036 1094266117 /nfs/dbraw/zinc/26/61/17/1094266117.db2.gz HBXYXMOCQAXGPW-HZPDHXFCSA-N 2 0 335.467 2.412 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)o1 ZINC001449330073 1094281455 /nfs/dbraw/zinc/28/14/55/1094281455.db2.gz VVMCYTBYUUSTGM-INIZCTEOSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001449371430 1094340281 /nfs/dbraw/zinc/34/02/81/1094340281.db2.gz ZMFUYFBXCRZEIJ-XUGXEBBFSA-N 2 0 327.900 2.297 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2ocnc2C)CC1)[NH+](C)C ZINC001449375669 1094345912 /nfs/dbraw/zinc/34/59/12/1094345912.db2.gz SUQYRIZKXATQNF-XJKSGUPXSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001441090636 1094388623 /nfs/dbraw/zinc/38/86/23/1094388623.db2.gz QBYGGHDTDBHBTD-MOPGFXCFSA-N 2 0 346.519 2.447 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001441360415 1094880347 /nfs/dbraw/zinc/88/03/47/1094880347.db2.gz FLSNDEHOIGQFOV-XLMUZGCQSA-N 2 0 327.472 2.232 10 0 EEAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001441364186 1094886102 /nfs/dbraw/zinc/88/61/02/1094886102.db2.gz JJODYEIWOZAPGZ-UAPYVXQJSA-N 2 0 344.503 2.332 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001441494131 1095172598 /nfs/dbraw/zinc/17/25/98/1095172598.db2.gz YMKVQYJSWPPCFG-BBWFWOEESA-N 2 0 339.499 2.483 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC001441537318 1095250871 /nfs/dbraw/zinc/25/08/71/1095250871.db2.gz YIBFINXTTKUIEV-DZGCQCFKSA-N 2 0 338.521 2.261 10 0 EEAERP COc1ccc(C)cc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001441543725 1095262534 /nfs/dbraw/zinc/26/25/34/1095262534.db2.gz GJNORWHSUSIJEA-FUHWJXTLSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)sc1C ZINC001441552076 1095282176 /nfs/dbraw/zinc/28/21/76/1095282176.db2.gz XKAIKQPJITVBSU-IUODEOHRSA-N 2 0 338.521 2.181 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001441605749 1095458724 /nfs/dbraw/zinc/45/87/24/1095458724.db2.gz JNQTVKAENDXJRF-SFHVURJKSA-N 2 0 343.515 2.455 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC001441829936 1095885542 /nfs/dbraw/zinc/88/55/42/1095885542.db2.gz WUZNABWIBLEFMT-NVXWUHKLSA-N 2 0 349.523 2.057 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCc1ccns1 ZINC001441846669 1095929063 /nfs/dbraw/zinc/92/90/63/1095929063.db2.gz IYDOVMFXYGDPAH-CQSZACIVSA-N 2 0 338.521 2.044 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001441849360 1095932711 /nfs/dbraw/zinc/93/27/11/1095932711.db2.gz ALYCAUWQIJOASO-QGZVFWFLSA-N 2 0 329.488 2.465 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001441893599 1096033596 /nfs/dbraw/zinc/03/35/96/1096033596.db2.gz DLVOGWXVBLDCNB-CABCVRRESA-N 2 0 338.521 2.168 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC001442251714 1096553207 /nfs/dbraw/zinc/55/32/07/1096553207.db2.gz NDEBWICFMWIPOM-CJNGLKHVSA-N 2 0 336.480 2.150 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001442261792 1096564909 /nfs/dbraw/zinc/56/49/09/1096564909.db2.gz WVPLCYGPDXRXDP-CQSZACIVSA-N 2 0 336.480 2.232 10 0 EEAERP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001442263337 1096566597 /nfs/dbraw/zinc/56/65/97/1096566597.db2.gz XPEBWGHXQOTFFX-DAWZGUTISA-N 2 0 348.491 2.182 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)sc1C ZINC001442319959 1096637977 /nfs/dbraw/zinc/63/79/77/1096637977.db2.gz LKRVGNPMIHTELX-IUODEOHRSA-N 2 0 338.521 2.086 10 0 EEAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(F)c1F ZINC001442320809 1096640145 /nfs/dbraw/zinc/64/01/45/1096640145.db2.gz NTMLZGXOXLUBGX-CYBMUJFWSA-N 2 0 337.414 2.045 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H]1CCc2ccccc2C1 ZINC001442742459 1097117038 /nfs/dbraw/zinc/11/70/38/1097117038.db2.gz CJEMTZVVBBXVLA-YLJYHZDGSA-N 2 0 343.515 2.181 10 0 EEAERP Cc1cccc(C[NH+]2CC[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001442900156 1097302645 /nfs/dbraw/zinc/30/26/45/1097302645.db2.gz HQXMUPSKIZAUGZ-MOPGFXCFSA-N 2 0 329.488 2.275 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001442909457 1097315643 /nfs/dbraw/zinc/31/56/43/1097315643.db2.gz UYUWXRLXDSBVFD-MSOLQXFVSA-N 2 0 347.478 2.414 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C/C=C\Cl)C2)CC[N@@H+]1C ZINC001443319511 1097806537 /nfs/dbraw/zinc/80/65/37/1097806537.db2.gz FFELIAZCSDGLKV-VFQMKTJOSA-N 2 0 327.900 2.250 10 0 EEAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CCCC1(F)F ZINC001444032002 1098550835 /nfs/dbraw/zinc/55/08/35/1098550835.db2.gz JGLRZZHKRAVYAS-CABCVRRESA-N 2 0 343.462 2.392 10 0 EEAERP CCn1ccc(C[NH2+][C@H]2CCCCCN(C(=O)CC[N@H+](C)CC)C2)n1 ZINC001479691399 1098754963 /nfs/dbraw/zinc/75/49/63/1098754963.db2.gz JFHLCKGVZYZEGD-SFHVURJKSA-N 2 0 349.523 2.106 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)[C@@H]1C ZINC001479707979 1098784861 /nfs/dbraw/zinc/78/48/61/1098784861.db2.gz SGCLVEZLMNSIJC-AGIUHOORSA-N 2 0 341.393 2.198 10 0 EEAERP CCc1ccccc1CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479762020 1098924298 /nfs/dbraw/zinc/92/42/98/1098924298.db2.gz FZYNTSOZWCSJKG-LJQANCHMSA-N 2 0 331.504 2.324 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001479771056 1098943214 /nfs/dbraw/zinc/94/32/14/1098943214.db2.gz LJUMOTGSBGTLPD-RBUKOAKNSA-N 2 0 347.503 2.364 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1cccc(F)c1)C1CC1 ZINC001479866041 1099191712 /nfs/dbraw/zinc/19/17/12/1099191712.db2.gz CEFXNFJSYFZTNC-GOSISDBHSA-N 2 0 333.451 2.391 10 0 EEAERP O=C(NCCC[N@H+](C[C@@H]1CCCCO1)C1CC1)C12CCC[NH+]1CCC2 ZINC001479873136 1099223155 /nfs/dbraw/zinc/22/31/55/1099223155.db2.gz VLKYCBDWBHBWTG-SFHVURJKSA-N 2 0 349.519 2.155 10 0 EEAERP Cc1ncccc1C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001479874982 1099233171 /nfs/dbraw/zinc/23/31/71/1099233171.db2.gz JFIUJCXNOQBVIH-UHFFFAOYSA-N 2 0 344.503 2.203 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001444594419 1099419549 /nfs/dbraw/zinc/41/95/49/1099419549.db2.gz LTJHCSAXXSANDE-ZYSHUDEJSA-N 2 0 347.503 2.362 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001480022793 1099501783 /nfs/dbraw/zinc/50/17/83/1099501783.db2.gz ACJFSMGVJCTLBX-HOTGVXAUSA-N 2 0 343.462 2.391 10 0 EEAERP CCc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001480062714 1099591570 /nfs/dbraw/zinc/59/15/70/1099591570.db2.gz CVXPDHPZPBFXGG-RBUKOAKNSA-N 2 0 329.488 2.185 10 0 EEAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001480120067 1099684691 /nfs/dbraw/zinc/68/46/91/1099684691.db2.gz CSMYEDGJKCEROQ-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)n1 ZINC001444792139 1099705188 /nfs/dbraw/zinc/70/51/88/1099705188.db2.gz QXCBOPAUNOBHHT-WMZOPIPTSA-N 2 0 349.523 2.131 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001480147842 1099715880 /nfs/dbraw/zinc/71/58/80/1099715880.db2.gz YATFEOHTRVALOK-GUDVDZBRSA-N 2 0 329.488 2.340 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001480167472 1099742969 /nfs/dbraw/zinc/74/29/69/1099742969.db2.gz LXCGABZJAUKULX-QBPKDAKJSA-N 2 0 327.488 2.483 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCOC(C)C)CC[C@@H]21 ZINC001480187383 1099780666 /nfs/dbraw/zinc/78/06/66/1099780666.db2.gz CBQGLUYWZSQIHG-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c(C)n1 ZINC001444831612 1099781991 /nfs/dbraw/zinc/78/19/91/1099781991.db2.gz XWPLQSOABBDHKU-BEFAXECRSA-N 2 0 346.519 2.367 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2c(C)cccc2C)C1)[NH+](C)C ZINC001480223630 1099842571 /nfs/dbraw/zinc/84/25/71/1099842571.db2.gz GCSSXPYNEPNTLK-KSZLIROESA-N 2 0 347.503 2.259 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCc3cccs3)C2)C1 ZINC001480263241 1099949942 /nfs/dbraw/zinc/94/99/42/1099949942.db2.gz MAQQCXFSEIQHDC-SJORKVTESA-N 2 0 349.544 2.461 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001480294748 1100009097 /nfs/dbraw/zinc/00/90/97/1100009097.db2.gz OGDKPFZHEUJXTL-LBPRGKRZSA-N 2 0 344.912 2.076 10 0 EEAERP C[C@@H](O)CCC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001480411362 1100228369 /nfs/dbraw/zinc/22/83/69/1100228369.db2.gz LTUUEWFRNHEOQB-WWDZGPRUSA-N 2 0 339.524 2.040 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCc2c1cccc2F ZINC001480574076 1100417968 /nfs/dbraw/zinc/41/79/68/1100417968.db2.gz LNRGHEDMCQMDGH-CXAGYDPISA-N 2 0 331.435 2.003 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001496209528 1100752667 /nfs/dbraw/zinc/75/26/67/1100752667.db2.gz YWMSKZUALUYMEM-AWEZNQCLSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1conc1C ZINC001495148207 1100819691 /nfs/dbraw/zinc/81/96/91/1100819691.db2.gz ZDOGAOWCBSIAFJ-SJORKVTESA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)sc1C ZINC001446450387 1100871637 /nfs/dbraw/zinc/87/16/37/1100871637.db2.gz WDKRYXQJOJOXQU-DOMZBBRYSA-N 2 0 338.521 2.181 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001496298790 1100885722 /nfs/dbraw/zinc/88/57/22/1100885722.db2.gz CJLREAVEHMUOGS-ZDUSSCGKSA-N 2 0 335.414 2.155 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CCCC2)o1 ZINC001495212714 1100896561 /nfs/dbraw/zinc/89/65/61/1100896561.db2.gz XEOJUZNULLQFDU-GASCZTMLSA-N 2 0 348.491 2.374 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495251880 1100947660 /nfs/dbraw/zinc/94/76/60/1100947660.db2.gz XKHBECGPTQDIRH-UYAOXDASSA-N 2 0 344.503 2.329 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)o1 ZINC001495294509 1100993507 /nfs/dbraw/zinc/99/35/07/1100993507.db2.gz SRZNHNHOPXVNJX-BEFAXECRSA-N 2 0 348.491 2.008 10 0 EEAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C)c(OC)c2)C1)[NH+](C)C ZINC001446550128 1101018800 /nfs/dbraw/zinc/01/88/00/1101018800.db2.gz MAZOEZIXVRFNLA-YLJYHZDGSA-N 2 0 347.503 2.424 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496451820 1101043691 /nfs/dbraw/zinc/04/36/91/1101043691.db2.gz YHLHBWOZPUEOJB-HIFRSBDPSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001495385818 1101106073 /nfs/dbraw/zinc/10/60/73/1101106073.db2.gz IAGAEDTWAQHMMK-MSOLQXFVSA-N 2 0 344.503 2.142 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cnoc2C)CC1)[NH+](C)C ZINC001495433493 1101151328 /nfs/dbraw/zinc/15/13/28/1101151328.db2.gz ZYMFSVIFJTXSCH-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001496630195 1101235927 /nfs/dbraw/zinc/23/59/27/1101235927.db2.gz UQLUGOWYXZROPI-GOSISDBHSA-N 2 0 329.488 2.321 10 0 EEAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001446941322 1101629099 /nfs/dbraw/zinc/62/90/99/1101629099.db2.gz MDFVYTDPDCUXMP-QWXIZGFTSA-N 2 0 334.291 2.085 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001446953397 1101647760 /nfs/dbraw/zinc/64/77/60/1101647760.db2.gz WDZLZVHFDBXHHX-ZBFHGGJFSA-N 2 0 348.491 2.219 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001496080163 1102024148 /nfs/dbraw/zinc/02/41/48/1102024148.db2.gz OJZJYGCYAHUPDV-WMZOPIPTSA-N 2 0 349.523 2.275 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496081416 1102026493 /nfs/dbraw/zinc/02/64/93/1102026493.db2.gz VHLMFIJJPLTWIF-YJBOKZPZSA-N 2 0 332.492 2.201 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2cscn2)CC1 ZINC001447148703 1102084444 /nfs/dbraw/zinc/08/44/44/1102084444.db2.gz IKGTULVILWSPBB-HZPDHXFCSA-N 2 0 348.516 2.050 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cn1 ZINC001497196624 1102108665 /nfs/dbraw/zinc/10/86/65/1102108665.db2.gz BFKPOGLWSJCXFM-RHSMWYFYSA-N 2 0 336.455 2.080 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cncs2)C1 ZINC001497257412 1102208024 /nfs/dbraw/zinc/20/80/24/1102208024.db2.gz XHEVCMQJEFVDKQ-LSDHHAIUSA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@H]1C[C@@H](C[NH2+]C2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)CCO1 ZINC001447233391 1102252248 /nfs/dbraw/zinc/25/22/48/1102252248.db2.gz KNELGGRRCMJAAW-SJORKVTESA-N 2 0 349.519 2.058 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC[C@@H](C)F)CCC2)CC1 ZINC001447255173 1102310688 /nfs/dbraw/zinc/31/06/88/1102310688.db2.gz HDBUMSKNIIZFHF-OAHLLOKOSA-N 2 0 327.488 2.483 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncc(C)c1 ZINC001497329891 1102336038 /nfs/dbraw/zinc/33/60/38/1102336038.db2.gz FIKIWXSTCSUUPT-SJLPKXTDSA-N 2 0 332.492 2.249 10 0 EEAERP CCN(CC[NH2+]Cc1ccncc1Cl)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497384404 1102413727 /nfs/dbraw/zinc/41/37/27/1102413727.db2.gz XCSULPIMVLABLT-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497384088 1102413876 /nfs/dbraw/zinc/41/38/76/1102413876.db2.gz SCDIZEJOSJSENI-LJQANCHMSA-N 2 0 329.488 2.275 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001447356500 1102515936 /nfs/dbraw/zinc/51/59/36/1102515936.db2.gz WMQHHCLVHBGXDL-MSOLQXFVSA-N 2 0 348.491 2.280 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]Cc2cc(C)no2)CC1 ZINC001447423607 1102627115 /nfs/dbraw/zinc/62/71/15/1102627115.db2.gz JOVRLZXMHFUODS-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001447548540 1102843296 /nfs/dbraw/zinc/84/32/96/1102843296.db2.gz ICZCFCPQHSYXDB-CQSZACIVSA-N 2 0 344.459 2.262 10 0 EEAERP Cc1cc(C[N@@H+]2CC[C@H](CCNC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001494074258 1103475633 /nfs/dbraw/zinc/47/56/33/1103475633.db2.gz PWNFDZNFMQGSCC-INIZCTEOSA-N 2 0 347.528 2.481 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCCCCF)C2)CCC1 ZINC001494136630 1103582513 /nfs/dbraw/zinc/58/25/13/1103582513.db2.gz FFBINIMWXXIZPV-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001448282272 1104315432 /nfs/dbraw/zinc/31/54/32/1104315432.db2.gz QXWFVTKLMUGDTN-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001448332206 1104408606 /nfs/dbraw/zinc/40/86/06/1104408606.db2.gz BYUXOYPVLKXCOO-YJBOKZPZSA-N 2 0 347.478 2.434 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001480700044 1106910196 /nfs/dbraw/zinc/91/01/96/1106910196.db2.gz CMLXDVUBFZBOMY-LSDHHAIUSA-N 2 0 336.480 2.267 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001480701513 1106914894 /nfs/dbraw/zinc/91/48/94/1106914894.db2.gz LNRSOPHFNUTCLZ-CABCVRRESA-N 2 0 334.464 2.021 10 0 EEAERP C[C@H](F)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001480716566 1106948694 /nfs/dbraw/zinc/94/86/94/1106948694.db2.gz KTQUPNYVRXWBPF-MAUKXSAKSA-N 2 0 335.467 2.135 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001498197170 1107065112 /nfs/dbraw/zinc/06/51/12/1107065112.db2.gz GBWFSMTVASRZPK-SUMWQHHRSA-N 2 0 339.430 2.434 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC001480832726 1107228395 /nfs/dbraw/zinc/22/83/95/1107228395.db2.gz FPKMZJMSMRCYFB-HNNXBMFYSA-N 2 0 336.505 2.100 10 0 EEAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc21 ZINC001493043707 1107380206 /nfs/dbraw/zinc/38/02/06/1107380206.db2.gz QYRWXPYONUXSKZ-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001493138924 1107578016 /nfs/dbraw/zinc/57/80/16/1107578016.db2.gz YHBPOEISUBKVEW-PKOBYXMFSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001498562004 1107726601 /nfs/dbraw/zinc/72/66/01/1107726601.db2.gz RTZYXORBCNVWAY-SFHVURJKSA-N 2 0 334.508 2.223 10 0 EEAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001498612091 1107808358 /nfs/dbraw/zinc/80/83/58/1107808358.db2.gz GPFSZCQMQDTQCZ-UHFFFAOYSA-N 2 0 334.508 2.306 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC001498897595 1108293323 /nfs/dbraw/zinc/29/33/23/1108293323.db2.gz HCWZEJMGAJCXCZ-PKOBYXMFSA-N 2 0 347.503 2.234 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC001498991567 1108426565 /nfs/dbraw/zinc/42/65/65/1108426565.db2.gz PVHXFDFVHZFDDV-DZGCQCFKSA-N 2 0 329.435 2.097 10 0 EEAERP CCOCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460748859 1110322386 /nfs/dbraw/zinc/32/23/86/1110322386.db2.gz PPCGKSHZXHGTSQ-AQNXPRMDSA-N 2 0 332.488 2.228 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001465393022 1110416715 /nfs/dbraw/zinc/41/67/15/1110416715.db2.gz XBYQSKVMPCTQKD-APWZRJJASA-N 2 0 343.515 2.322 10 0 EEAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1ccc(F)cc1 ZINC001499227877 1112188739 /nfs/dbraw/zinc/18/87/39/1112188739.db2.gz APYGSMUFUAJHFH-KBXCAEBGSA-N 2 0 345.462 2.467 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001499584501 1112388905 /nfs/dbraw/zinc/38/89/05/1112388905.db2.gz DRWIXURYMZJGPG-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CC[C@@H](C(=O)NC1(C)CC[NH+](CCCOC(C)C)CC1)[NH+](C)C ZINC001499997362 1112570984 /nfs/dbraw/zinc/57/09/84/1112570984.db2.gz CNDOCCQSZODEQB-INIZCTEOSA-N 2 0 327.513 2.112 10 0 EEAERP C[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1)[NH+]1CCCCCC1 ZINC001500114658 1112623497 /nfs/dbraw/zinc/62/34/97/1112623497.db2.gz KVXWGVSTMSSJSG-RDJZCZTQSA-N 2 0 327.488 2.485 10 0 EEAERP O=C(CCn1ccnc1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001501007859 1113164435 /nfs/dbraw/zinc/16/44/35/1113164435.db2.gz MQZFTTLBCNHIAY-ULQDDVLXSA-N 2 0 336.455 2.382 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1ccon1 ZINC001501156124 1113217927 /nfs/dbraw/zinc/21/79/27/1113217927.db2.gz LBEVTELBEMYMNZ-IRXDYDNUSA-N 2 0 348.491 2.125 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](C[C@@H](F)CC)C[C@H]21 ZINC001501427567 1113355566 /nfs/dbraw/zinc/35/55/66/1113355566.db2.gz SIXOUTHUHHZPTF-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001501578652 1113389315 /nfs/dbraw/zinc/38/93/15/1113389315.db2.gz MGVLKPGWBXOZEU-HKUYNNGSSA-N 2 0 346.519 2.304 10 0 EEAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001502095212 1113585284 /nfs/dbraw/zinc/58/52/84/1113585284.db2.gz WARVXGSFZXIYDT-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001502805279 1113805813 /nfs/dbraw/zinc/80/58/13/1113805813.db2.gz AOCQTAWKLTUMKT-UHFFFAOYSA-N 2 0 348.491 2.365 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001502811422 1113808206 /nfs/dbraw/zinc/80/82/06/1113808206.db2.gz UACZDZZGAQRPGB-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502969733 1113866147 /nfs/dbraw/zinc/86/61/47/1113866147.db2.gz QEKGINDLYVYBNY-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](CC[C@H]1CCCO1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001505398696 1113936590 /nfs/dbraw/zinc/93/65/90/1113936590.db2.gz RYDJMKICSICQIC-GOSISDBHSA-N 2 0 339.524 2.068 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001505432821 1113966082 /nfs/dbraw/zinc/96/60/82/1113966082.db2.gz TWRXJCSYRPYYLO-IAGOWNOFSA-N 2 0 327.488 2.389 10 0 EEAERP O=C(NC1CC(C[NH2+]CCCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001505529493 1114036649 /nfs/dbraw/zinc/03/66/49/1114036649.db2.gz JGMQHQIWAUVXCY-UHFFFAOYSA-N 2 0 341.499 2.199 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]Cc3cncc(F)c3)CCCCC2)C1 ZINC001506525713 1114674574 /nfs/dbraw/zinc/67/45/74/1114674574.db2.gz MGJNSIFGJDMVEP-MRXNPFEDSA-N 2 0 348.466 2.081 10 0 EEAERP CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001506731836 1114842473 /nfs/dbraw/zinc/84/24/73/1114842473.db2.gz SPVYOHQDFICSLB-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]21 ZINC001506822938 1114895728 /nfs/dbraw/zinc/89/57/28/1114895728.db2.gz SVXIXEBDZQNDDW-LDLYASANSA-N 2 0 329.488 2.131 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c(C)n1 ZINC001506887025 1114951443 /nfs/dbraw/zinc/95/14/43/1114951443.db2.gz ZTQNQQMYMYDZRN-SAABIXHNSA-N 2 0 344.503 2.167 10 0 EEAERP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001506907138 1114964081 /nfs/dbraw/zinc/96/40/81/1114964081.db2.gz PGGQGHQUMGCUFS-XLAORIBOSA-N 2 0 339.524 2.016 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cncc(C)c2)CC[N@@H+]1C ZINC001506921810 1114975637 /nfs/dbraw/zinc/97/56/37/1114975637.db2.gz KJBGFZGNJZZMEP-NZSAHSFTSA-N 2 0 346.519 2.495 10 0 EEAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001507035095 1115071328 /nfs/dbraw/zinc/07/13/28/1115071328.db2.gz DVHTZTSNEHCCNQ-KRWDZBQOSA-N 2 0 335.517 2.213 10 0 EEAERP COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)ccc1Cl ZINC001507117043 1115116778 /nfs/dbraw/zinc/11/67/78/1115116778.db2.gz FOQMCVMITAXFEJ-ZDUSSCGKSA-N 2 0 341.883 2.237 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@H]2CCCCO2)CC3)CC1 ZINC001507348553 1115211197 /nfs/dbraw/zinc/21/11/97/1115211197.db2.gz ONQMDGJPAJEHHP-HLIPFELVSA-N 2 0 349.519 2.011 10 0 EEAERP O=C(N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001507362826 1115223188 /nfs/dbraw/zinc/22/31/88/1115223188.db2.gz SDYDYLCIINQWSG-ULQDDVLXSA-N 2 0 337.483 2.191 10 0 EEAERP COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001507412480 1115257142 /nfs/dbraw/zinc/25/71/42/1115257142.db2.gz WHSMITCNTJSTJQ-SJORKVTESA-N 2 0 333.476 2.021 10 0 EEAERP CN(C)c1ccccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507444630 1115272824 /nfs/dbraw/zinc/27/28/24/1115272824.db2.gz WFQKUZOPDAVALJ-GOSISDBHSA-N 2 0 346.519 2.031 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC001507451692 1115277327 /nfs/dbraw/zinc/27/73/27/1115277327.db2.gz XLKHAWWGVXLGFB-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001543197898 1124123973 /nfs/dbraw/zinc/12/39/73/1124123973.db2.gz DWYASOVFAFXXKF-RDJZCZTQSA-N 2 0 346.523 2.134 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001567900569 1124165421 /nfs/dbraw/zinc/16/54/21/1124165421.db2.gz BBEIAHPOAPZHJM-LJQANCHMSA-N 2 0 347.503 2.367 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)no1 ZINC001568066441 1124271914 /nfs/dbraw/zinc/27/19/14/1124271914.db2.gz NKWMSEVMRKKERW-MRXNPFEDSA-N 2 0 336.480 2.043 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001568077054 1124282030 /nfs/dbraw/zinc/28/20/30/1124282030.db2.gz VNFHSZFTUTUSOU-INIZCTEOSA-N 2 0 348.466 2.035 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001568076410 1124282227 /nfs/dbraw/zinc/28/22/27/1124282227.db2.gz NXITYMQKDDFYDI-MJGOQNOKSA-N 2 0 344.503 2.060 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1 ZINC001568098238 1124300986 /nfs/dbraw/zinc/30/09/86/1124300986.db2.gz ASKIYVZBCCFISU-UHFFFAOYSA-N 2 0 332.492 2.142 10 0 EEAERP O=C(NCc1ccc(C[NH2+]C/C=C\Cl)cc1)C12CC[NH+](CC1)C2 ZINC001568121551 1124315172 /nfs/dbraw/zinc/31/51/72/1124315172.db2.gz DXUDMHMSTAOYRY-QPIMQUGISA-N 2 0 333.863 2.241 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001568193355 1124348138 /nfs/dbraw/zinc/34/81/38/1124348138.db2.gz BBZGWWWVMOAMRC-QZTJIDSGSA-N 2 0 331.504 2.221 10 0 EEAERP COc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001568281894 1124402870 /nfs/dbraw/zinc/40/28/70/1124402870.db2.gz YZNLCNUDJUHQDV-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)on1 ZINC001568385582 1124455245 /nfs/dbraw/zinc/45/52/45/1124455245.db2.gz ITKDDLURLWFJPG-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001568546933 1124605500 /nfs/dbraw/zinc/60/55/00/1124605500.db2.gz ZUVCLXWKKDRWHY-IBBQAADRSA-N 2 0 327.900 2.489 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568689505 1124702197 /nfs/dbraw/zinc/70/21/97/1124702197.db2.gz LHIXBHJHNYUWFK-LPHOPBHVSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001568699467 1124714149 /nfs/dbraw/zinc/71/41/49/1124714149.db2.gz RDHBGSBJTCCYMS-KRWDZBQOSA-N 2 0 329.488 2.118 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001568874049 1124900436 /nfs/dbraw/zinc/90/04/36/1124900436.db2.gz YGZJTXSTAFDWFF-XQQSMPNESA-N 2 0 341.499 2.422 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568949867 1124983314 /nfs/dbraw/zinc/98/33/14/1124983314.db2.gz GMFZXLFJUTXTCQ-JSDWAPGTSA-N 2 0 344.503 2.272 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001568950959 1124984708 /nfs/dbraw/zinc/98/47/08/1124984708.db2.gz MUTVCVKRKSXMTI-MJSXRHKHSA-N 2 0 333.451 2.238 10 0 EEAERP CCc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001569188823 1125153214 /nfs/dbraw/zinc/15/32/14/1125153214.db2.gz MUMXMQANCZWROD-IBGZPJMESA-N 2 0 331.504 2.324 10 0 EEAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569233964 1125183469 /nfs/dbraw/zinc/18/34/69/1125183469.db2.gz YXDQBLYMWAGGMF-SJLPKXTDSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC001569268998 1125208144 /nfs/dbraw/zinc/20/81/44/1125208144.db2.gz OQSKVOPXDQLIEC-OKILXGFUSA-N 2 0 338.521 2.262 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCc2cccc(F)c2)C2CC2)C1 ZINC001569329192 1125232089 /nfs/dbraw/zinc/23/20/89/1125232089.db2.gz HMQGMBHXUIHWRC-MJGOQNOKSA-N 2 0 347.478 2.194 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001569339954 1125240392 /nfs/dbraw/zinc/24/03/92/1125240392.db2.gz HEPCTIJMFDFBIX-IRXDYDNUSA-N 2 0 341.540 2.218 10 0 EEAERP CCCN(CC[NH+](C)C)c1ncc(Br)cc1C[NH2+]C ZINC000051490039 214095259 /nfs/dbraw/zinc/09/52/59/214095259.db2.gz WPHFRSFVLLYFRO-UHFFFAOYSA-N 2 0 329.286 2.342 10 0 EEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000170861268 282197619 /nfs/dbraw/zinc/19/76/19/282197619.db2.gz JKVPRUVIBJZQGS-QZTJIDSGSA-N 2 0 330.476 2.169 10 0 EEAERP C[NH+]1CCC(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373417601 282685340 /nfs/dbraw/zinc/68/53/40/282685340.db2.gz NAASNEDUOYDHAR-UHFFFAOYSA-N 2 0 347.425 2.250 10 0 EEAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000069329729 215380099 /nfs/dbraw/zinc/38/00/99/215380099.db2.gz OWELGQHIBFLYDD-QGZVFWFLSA-N 2 0 342.487 2.114 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]CCNc1cccc(Br)c1 ZINC000422969075 240311297 /nfs/dbraw/zinc/31/12/97/240311297.db2.gz YPBXOMATMCRLTI-AWEZNQCLSA-N 2 0 330.270 2.205 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422882985 240274111 /nfs/dbraw/zinc/27/41/11/240274111.db2.gz PVLIWJQOPQQWRN-SUMWQHHRSA-N 2 0 334.464 2.375 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422932318 240295009 /nfs/dbraw/zinc/29/50/09/240295009.db2.gz ZAEYXFXTBDOMID-SFHVURJKSA-N 2 0 333.476 2.156 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428762312 241645454 /nfs/dbraw/zinc/64/54/54/241645454.db2.gz YLOGQRLYEUHUPN-HZPDHXFCSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000246419540 243251849 /nfs/dbraw/zinc/25/18/49/243251849.db2.gz VMPUCLRSGPHBTH-QRQLOZEOSA-N 2 0 346.519 2.141 10 0 EEAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000261715232 284336993 /nfs/dbraw/zinc/33/69/93/284336993.db2.gz KZRXINAZUBEVMD-UHFFFAOYSA-N 2 0 339.414 2.412 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000193028458 284762198 /nfs/dbraw/zinc/76/21/98/284762198.db2.gz RTFJSRHJSFQEKQ-JKSUJKDBSA-N 2 0 336.480 2.446 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(COC)s1 ZINC000349059059 285282419 /nfs/dbraw/zinc/28/24/19/285282419.db2.gz BDXLOCCTCDWTIR-HNNXBMFYSA-N 2 0 340.537 2.137 10 0 EEAERP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)N1CC[NH+]1CCCC1 ZINC000253616532 257656834 /nfs/dbraw/zinc/65/68/34/257656834.db2.gz QZEJDGAKYBAYAM-IAGOWNOFSA-N 2 0 333.501 2.409 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000057204514 292145903 /nfs/dbraw/zinc/14/59/03/292145903.db2.gz BXBPIOWKHJYRBH-SFHVURJKSA-N 2 0 344.503 2.085 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)[C@@H](C)C1 ZINC000358300861 286064014 /nfs/dbraw/zinc/06/40/14/286064014.db2.gz MNWQPVQGYGCOOZ-ZSYWTGECSA-N 2 0 340.508 2.051 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248721197 160358208 /nfs/dbraw/zinc/35/82/08/160358208.db2.gz GQXGUDMJJYCMDD-RTBURBONSA-N 2 0 344.503 2.292 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128041276 292335106 /nfs/dbraw/zinc/33/51/06/292335106.db2.gz SYPXNZKEBAMDID-QZTJIDSGSA-N 2 0 338.540 2.480 10 0 EEAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000245498749 160238857 /nfs/dbraw/zinc/23/88/57/160238857.db2.gz WVFIYSSYCGPWFJ-OOKSDGMUSA-N 2 0 336.524 2.375 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1C ZINC000246169940 160265504 /nfs/dbraw/zinc/26/55/04/160265504.db2.gz LEHCHTLWYVOIAR-QRQLOZEOSA-N 2 0 346.519 2.283 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[C@H](C)[NH+](C3CC3)C1)CC2 ZINC000246409776 160277145 /nfs/dbraw/zinc/27/71/45/160277145.db2.gz UQBHEVDBKFVNPG-IDCNUPLLSA-N 2 0 334.508 2.268 10 0 EEAERP C(CN1CCC[C@H]1C[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246696304 160290201 /nfs/dbraw/zinc/29/02/01/160290201.db2.gz JEOUFXFBRZZVOF-PMACEKPBSA-N 2 0 334.552 2.107 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2ccc(OC)cc2)CC1 ZINC000343556637 161146236 /nfs/dbraw/zinc/14/62/36/161146236.db2.gz NLGCECLGIDCLNR-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP Cc1sccc1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000345162493 161278012 /nfs/dbraw/zinc/27/80/12/161278012.db2.gz MQFKUGSYFDKTRO-UHFFFAOYSA-N 2 0 325.522 2.331 10 0 EEAERP COC(=O)[C@@H](C)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000355313660 163141944 /nfs/dbraw/zinc/14/19/44/163141944.db2.gz JNSSBBPRJSEGSS-ZDUSSCGKSA-N 2 0 328.416 2.349 10 0 EEAERP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000355671814 163265745 /nfs/dbraw/zinc/26/57/45/163265745.db2.gz WXWRTXLAEAWSPB-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376489624 167336661 /nfs/dbraw/zinc/33/66/61/167336661.db2.gz CZXIQSKXQSUFQN-AQEOSJORSA-N 2 0 334.508 2.272 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376567376 167353059 /nfs/dbraw/zinc/35/30/59/167353059.db2.gz VGYAQHQIDKOGRW-UHFFFAOYSA-N 2 0 345.487 2.374 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)[C@H]2CCC[C@@H]21 ZINC000367710212 277171307 /nfs/dbraw/zinc/17/13/07/277171307.db2.gz WGEDHJSPMOTLLW-RDBSUJKOSA-N 2 0 327.270 2.108 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000339939493 279130683 /nfs/dbraw/zinc/13/06/83/279130683.db2.gz CPSJNPRWGOKXQG-WMZOPIPTSA-N 2 0 334.508 2.189 10 0 EEAERP CCC[C@]1([NH2+]CC2(C[NH2+][C@@]3(CCC)CCOC3)COC2)CCOC1 ZINC000352822852 312387332 /nfs/dbraw/zinc/38/73/32/312387332.db2.gz HOMHRHCIGOPSAF-OALUTQOASA-N 2 0 340.508 2.101 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764119 313080772 /nfs/dbraw/zinc/08/07/72/313080772.db2.gz NYBMLRZPSDSTEV-ZIAGYGMSSA-N 2 0 347.425 2.238 10 0 EEAERP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414771095 313082577 /nfs/dbraw/zinc/08/25/77/313082577.db2.gz ZCABXMKWQVYACM-DNVCBOLYSA-N 2 0 345.487 2.202 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000414879300 313106053 /nfs/dbraw/zinc/10/60/53/313106053.db2.gz IKHSKCYVBXMEEG-GOSISDBHSA-N 2 0 342.443 2.449 10 0 EEAERP C[N@H+](CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416866029 313341056 /nfs/dbraw/zinc/34/10/56/313341056.db2.gz ABXKURWXGLKYRK-GOSISDBHSA-N 2 0 330.476 2.044 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000417469833 313519880 /nfs/dbraw/zinc/51/98/80/313519880.db2.gz QWZOIWHWXJWGMS-HOTGVXAUSA-N 2 0 332.492 2.453 10 0 EEAERP C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000417657448 313557717 /nfs/dbraw/zinc/55/77/17/313557717.db2.gz HVIPEHYHAZAYPZ-ZFWWWQNUSA-N 2 0 336.455 2.075 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000440859860 315155634 /nfs/dbraw/zinc/15/56/34/315155634.db2.gz NWXYTARIIJNQMB-CSRJKQTDSA-N 2 0 336.524 2.421 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000448471773 315371503 /nfs/dbraw/zinc/37/15/03/315371503.db2.gz MDUUPMVILFAPMI-WMZOPIPTSA-N 2 0 336.524 2.233 10 0 EEAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000458235404 315691710 /nfs/dbraw/zinc/69/17/10/315691710.db2.gz ZFNIPGLVBIUJFN-UHFFFAOYSA-N 2 0 346.500 2.409 10 0 EEAERP CC(C)c1ncc2c(n1)CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000527622566 317232277 /nfs/dbraw/zinc/23/22/77/317232277.db2.gz CLNYQQQCXZPCTE-UHFFFAOYSA-N 2 0 345.535 2.374 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000563559520 319023375 /nfs/dbraw/zinc/02/33/75/319023375.db2.gz RUMGQYIZWNPYBC-QAPCUYQASA-N 2 0 344.503 2.121 10 0 EEAERP CC[NH+](CC)[C@@H](C(=O)N1CCC([NH2+]CCOC)CC1)c1ccccc1 ZINC000564094561 319066769 /nfs/dbraw/zinc/06/67/69/319066769.db2.gz NDXAPVXNTVUHMS-LJQANCHMSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000564098415 319067380 /nfs/dbraw/zinc/06/73/80/319067380.db2.gz OMXQIVAYZSFZET-CVEARBPZSA-N 2 0 335.517 2.418 10 0 EEAERP O=C(NC1CC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000565411307 319180296 /nfs/dbraw/zinc/18/02/96/319180296.db2.gz NFZAJUZNUGHGNE-YQQQUEKLSA-N 2 0 342.487 2.233 10 0 EEAERP CC(C)[NH+](CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000565420751 319181553 /nfs/dbraw/zinc/18/15/53/319181553.db2.gz MEGLPIKVNBLSLU-GPMSIDNRSA-N 2 0 339.524 2.144 10 0 EEAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000570395623 319662065 /nfs/dbraw/zinc/66/20/65/319662065.db2.gz RWBDUJBXUUDURB-SFHVURJKSA-N 2 0 330.476 2.130 10 0 EEAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000580312129 324036587 /nfs/dbraw/zinc/03/65/87/324036587.db2.gz OTYVFIFZJQQWDP-GUDVDZBRSA-N 2 0 340.471 2.427 10 0 EEAERP c1cc(-c2n[nH]cc2C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cs1 ZINC000578860229 468269644 /nfs/dbraw/zinc/26/96/44/468269644.db2.gz WBMHUVMRORZYHK-UHFFFAOYSA-N 2 0 345.516 2.444 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000341454768 465175996 /nfs/dbraw/zinc/17/59/96/465175996.db2.gz CSZXXXNTSRKJKS-KURKYZTESA-N 2 0 334.508 2.273 10 0 EEAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CS2 ZINC000520814235 468273577 /nfs/dbraw/zinc/27/35/77/468273577.db2.gz CPUWSRRFHJSIFA-FXUDXRNXSA-N 2 0 334.485 2.286 10 0 EEAERP CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152950143 462598781 /nfs/dbraw/zinc/59/87/81/462598781.db2.gz XGVCVYDAYXLUSG-QLFBSQMISA-N 2 0 327.831 2.468 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000129154057 462692722 /nfs/dbraw/zinc/69/27/22/462692722.db2.gz SOORBCXTIKQSRI-SOLBZPMBSA-N 2 0 334.508 2.129 10 0 EEAERP CCC[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000089949414 462751455 /nfs/dbraw/zinc/75/14/55/462751455.db2.gz YMEKVEBMVNWZBK-LJQANCHMSA-N 2 0 346.519 2.045 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000131855506 462830925 /nfs/dbraw/zinc/83/09/25/462830925.db2.gz SECKJLJXQNHRKY-AEFFLSMTSA-N 2 0 336.524 2.233 10 0 EEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000157940694 463186916 /nfs/dbraw/zinc/18/69/16/463186916.db2.gz KEOXRQHJEIBCKZ-XWTMOSNGSA-N 2 0 338.540 2.382 10 0 EEAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000069500960 463261473 /nfs/dbraw/zinc/26/14/73/463261473.db2.gz HTKFIMIWCUAJAM-LJQANCHMSA-N 2 0 345.487 2.123 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000125792310 463578615 /nfs/dbraw/zinc/57/86/15/463578615.db2.gz ZDFBBTRNQYGPIL-INIZCTEOSA-N 2 0 347.503 2.244 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000073887549 463666576 /nfs/dbraw/zinc/66/65/76/463666576.db2.gz JLJSXTOEXQVSGX-IBGZPJMESA-N 2 0 344.503 2.405 10 0 EEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000170862340 463724870 /nfs/dbraw/zinc/72/48/70/463724870.db2.gz NDQXENHHXJRDQW-JKSUJKDBSA-N 2 0 334.464 2.152 10 0 EEAERP CC[C@@H](C(=O)N1CCNC[C@H]1c1ccccc1OC)[NH+](CC)CC ZINC000261912561 463898010 /nfs/dbraw/zinc/89/80/10/463898010.db2.gz HSGYBJCXHOERNB-IRXDYDNUSA-N 2 0 333.476 2.289 10 0 EEAERP CC1CCN(Cc2csc(NC(=O)CC(F)(F)CN)n2)CC1 ZINC000568777429 468386978 /nfs/dbraw/zinc/38/69/78/468386978.db2.gz RHESDWUZSCHEGO-UHFFFAOYSA-N 2 0 332.420 2.298 10 0 EEAERP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000195126957 463997260 /nfs/dbraw/zinc/99/72/60/463997260.db2.gz GJIJXFJRCQZLRO-SFHVURJKSA-N 2 0 332.492 2.422 10 0 EEAERP CN1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262576778 464032693 /nfs/dbraw/zinc/03/26/93/464032693.db2.gz ORLXIIMELHFUMK-RRFJBIMHSA-N 2 0 325.815 2.093 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179191344 464077987 /nfs/dbraw/zinc/07/79/87/464077987.db2.gz PKDATRRNAZMNAT-RCCFBDPRSA-N 2 0 330.476 2.215 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000181052498 464439510 /nfs/dbraw/zinc/43/95/10/464439510.db2.gz CJIBJEFCHDPYNY-HKUYNNGSSA-N 2 0 342.487 2.163 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000245615070 464499179 /nfs/dbraw/zinc/49/91/79/464499179.db2.gz CTKQBRVUXNQROU-XIVBQZFQSA-N 2 0 342.487 2.356 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246387251 464579272 /nfs/dbraw/zinc/57/92/72/464579272.db2.gz IEFZRGGKOAWPIO-MHORFTMASA-N 2 0 336.524 2.233 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175633849 464591316 /nfs/dbraw/zinc/59/13/16/464591316.db2.gz SUHRMFWKAKOMIF-NEWSRXKRSA-N 2 0 344.503 2.385 10 0 EEAERP C[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192538151 464944770 /nfs/dbraw/zinc/94/47/70/464944770.db2.gz KEUQUOVXYZSKBN-AHRSYUTCSA-N 2 0 332.488 2.447 10 0 EEAERP CC[NH+](CC)CC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000337484036 465393243 /nfs/dbraw/zinc/39/32/43/465393243.db2.gz BAZQEDUTSMZWHE-UHFFFAOYSA-N 2 0 333.476 2.466 10 0 EEAERP CC(C)C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)NCC[NH+](C)C ZINC000340108054 465772514 /nfs/dbraw/zinc/77/25/14/465772514.db2.gz HIAAOAUPFFRVFJ-KRWDZBQOSA-N 2 0 330.476 2.350 10 0 EEAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2c(s1)CCC2 ZINC000361183237 465821218 /nfs/dbraw/zinc/82/12/18/465821218.db2.gz QPLFCFOECYYBEM-DZGCQCFKSA-N 2 0 335.517 2.475 10 0 EEAERP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)CN1 ZINC000346168509 465955879 /nfs/dbraw/zinc/95/58/79/465955879.db2.gz LHYJZRLAPYYVEJ-CJNGLKHVSA-N 2 0 330.457 2.424 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000346171087 465959581 /nfs/dbraw/zinc/95/95/81/465959581.db2.gz NVTDIDLGAMEPIQ-VQIMIIECSA-N 2 0 325.460 2.492 10 0 EEAERP Cc1nc2c(c(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)n1)CCCC2 ZINC000302030824 466082599 /nfs/dbraw/zinc/08/25/99/466082599.db2.gz BWGCXVWLRAKSJT-KRWDZBQOSA-N 2 0 343.519 2.270 10 0 EEAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000340539667 466161077 /nfs/dbraw/zinc/16/10/77/466161077.db2.gz TXCDWCVISLFJHV-KRWDZBQOSA-N 2 0 343.475 2.320 10 0 EEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000367416695 466323081 /nfs/dbraw/zinc/32/30/81/466323081.db2.gz XUFFEEDBZJQODD-SFHVURJKSA-N 2 0 342.487 2.141 10 0 EEAERP CN(c1ccccc1CN1CC[NH+]2CCC1CC2)C1CC[NH+](C)CC1 ZINC000367691011 466495531 /nfs/dbraw/zinc/49/55/31/466495531.db2.gz ZSSKUNNTSVHOMQ-UHFFFAOYSA-N 2 0 342.531 2.497 10 0 EEAERP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310551677 466516585 /nfs/dbraw/zinc/51/65/85/466516585.db2.gz WSPAICDLOVGOCC-MSOLQXFVSA-N 2 0 329.488 2.498 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccncc3)cn2)CC1 ZINC000350517522 466525589 /nfs/dbraw/zinc/52/55/89/466525589.db2.gz QZTKFJDYYCPMNC-INIZCTEOSA-N 2 0 325.460 2.469 10 0 EEAERP CC[N@H+](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000373416131 466796093 /nfs/dbraw/zinc/79/60/93/466796093.db2.gz FUXYRJGWGWXPKW-UHFFFAOYSA-N 2 0 347.425 2.392 10 0 EEAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417253724 466816311 /nfs/dbraw/zinc/81/63/11/466816311.db2.gz LYEDGSULXNGDBN-ZMMAXQRCSA-N 2 0 336.524 2.138 10 0 EEAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000417589549 466889304 /nfs/dbraw/zinc/88/93/04/466889304.db2.gz VHZFMUTXLFLCSB-YQQQUEKLSA-N 2 0 342.487 2.187 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417885462 466970207 /nfs/dbraw/zinc/97/02/07/466970207.db2.gz YFINZIUCOWCQBZ-SZVBFZGTSA-N 2 0 342.487 2.185 10 0 EEAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000417939725 466994932 /nfs/dbraw/zinc/99/49/32/466994932.db2.gz KWOZBASQBSWDPF-MOPGFXCFSA-N 2 0 344.503 2.463 10 0 EEAERP C[C@]1(CNC(=O)N2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418041593 467031650 /nfs/dbraw/zinc/03/16/50/467031650.db2.gz KTPMELMCXZIKGV-LJQANCHMSA-N 2 0 330.476 2.046 10 0 EEAERP C[C@]1(CNC(=O)NCCC[NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000418048779 467034366 /nfs/dbraw/zinc/03/43/66/467034366.db2.gz WHHXIEUEDCTJEH-HXUWFJFHSA-N 2 0 344.503 2.482 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000377201955 467046207 /nfs/dbraw/zinc/04/62/07/467046207.db2.gz RBQAWWPNVHYVOS-RTBURBONSA-N 2 0 346.519 2.439 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000418115426 467049965 /nfs/dbraw/zinc/04/99/65/467049965.db2.gz OIRMFGZVWZTGFT-LJQANCHMSA-N 2 0 344.503 2.216 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418565886 467129449 /nfs/dbraw/zinc/12/94/49/467129449.db2.gz ZGIRAHWEPYHXDA-QRQLOZEOSA-N 2 0 344.503 2.148 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418611237 467135402 /nfs/dbraw/zinc/13/54/02/467135402.db2.gz HCHKQKVVJSAQGL-AOIWGVFYSA-N 2 0 344.503 2.290 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418624387 467137100 /nfs/dbraw/zinc/13/71/00/467137100.db2.gz YVNICZLPAACWPI-QXAKKESOSA-N 2 0 344.503 2.290 10 0 EEAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418726145 467151295 /nfs/dbraw/zinc/15/12/95/467151295.db2.gz OPBDXVCQHSRACR-RYUDHWBXSA-N 2 0 326.407 2.028 10 0 EEAERP COC[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102725 467323515 /nfs/dbraw/zinc/32/35/15/467323515.db2.gz LBDBRWJGFOYCOY-HKUYNNGSSA-N 2 0 347.503 2.154 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000414303513 467400681 /nfs/dbraw/zinc/40/06/81/467400681.db2.gz LMUUHWBUWVNDFS-UYAOXDASSA-N 3 0 345.531 2.333 10 0 EEAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397577061 467442009 /nfs/dbraw/zinc/44/20/09/467442009.db2.gz BRUDDGCGEOWAPP-MOPGFXCFSA-N 2 0 329.488 2.390 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000450623716 467881890 /nfs/dbraw/zinc/88/18/90/467881890.db2.gz NGVGKKUIAUIALZ-HWPVKAJDSA-N 2 0 348.579 2.492 10 0 EEAERP c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC000530248832 467968050 /nfs/dbraw/zinc/96/80/50/467968050.db2.gz QBAOXKKBTBSNCX-FQEVSTJZSA-N 2 0 340.471 2.463 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccccc1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488734297 468099876 /nfs/dbraw/zinc/09/98/76/468099876.db2.gz NANWLBKPWBTISO-YKCBXCCJSA-N 2 0 332.488 2.092 10 0 EEAERP CCOC(=O)COCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000589251451 468136733 /nfs/dbraw/zinc/13/67/33/468136733.db2.gz JHCAAWKUCUYYQM-UHFFFAOYSA-N 2 0 326.481 2.154 10 0 EEAERP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000556934986 468600318 /nfs/dbraw/zinc/60/03/18/468600318.db2.gz CHJIABDUVWRLRQ-CQSZACIVSA-N 2 0 342.443 2.327 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000583921208 468774181 /nfs/dbraw/zinc/77/41/81/468774181.db2.gz DGVZMATZBXFBFE-RWQQGDIJSA-N 2 0 344.503 2.337 10 0 EEAERP [NH3+]C1(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CCC1 ZINC000571538371 468804487 /nfs/dbraw/zinc/80/44/87/468804487.db2.gz UYKDTIOMLQUSES-UHFFFAOYSA-N 2 0 330.476 2.353 10 0 EEAERP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC(C)(C)C3)CC2)cc1 ZINC000561090174 468862231 /nfs/dbraw/zinc/86/22/31/468862231.db2.gz PSNZFXJCWOEXHL-UHFFFAOYSA-N 2 0 345.487 2.071 10 0 EEAERP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593322230 468938657 /nfs/dbraw/zinc/93/86/57/468938657.db2.gz LVHFRZSKJINQDS-RCCFBDPRSA-N 2 0 332.444 2.334 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC000585120774 468981404 /nfs/dbraw/zinc/98/14/04/468981404.db2.gz KPVGPJYLENSGMF-IEBWSBKVSA-N 2 0 329.488 2.451 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000573580835 469166035 /nfs/dbraw/zinc/16/60/35/469166035.db2.gz AVVSAKIZGYOHAX-NJAFHUGGSA-N 2 0 330.476 2.121 10 0 EEAERP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000625847191 469409437 /nfs/dbraw/zinc/40/94/37/469409437.db2.gz PXXFHLGUZNKYGJ-KDURUIRLSA-N 2 0 346.475 2.090 10 0 EEAERP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000625859977 469414464 /nfs/dbraw/zinc/41/44/64/469414464.db2.gz JKXIWAVRTNGVTC-WMLDXEAASA-N 2 0 334.464 2.279 10 0 EEAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629529865 469572733 /nfs/dbraw/zinc/57/27/33/469572733.db2.gz OSVRALAQJBKITF-SLFFLAALSA-N 3 0 331.504 2.113 10 0 EEAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000629537510 469573985 /nfs/dbraw/zinc/57/39/85/469573985.db2.gz JRLLWIUGSONVRB-ZDUSSCGKSA-N 2 0 327.266 2.261 10 0 EEAERP C[N@@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC1(C)C ZINC000623488453 469673023 /nfs/dbraw/zinc/67/30/23/469673023.db2.gz SSZUBJAAVJNIJT-MOPGFXCFSA-N 2 0 331.504 2.216 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000626993774 469781873 /nfs/dbraw/zinc/78/18/73/469781873.db2.gz MWUPNSZAYOTJDI-FPAYPSAMSA-N 2 0 344.503 2.337 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000626999400 469783515 /nfs/dbraw/zinc/78/35/15/469783515.db2.gz ZAVRPSXHBOERAJ-MXSMSXNCSA-N 2 0 330.476 2.089 10 0 EEAERP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)CC1 ZINC000627004313 469785933 /nfs/dbraw/zinc/78/59/33/469785933.db2.gz JANFSFVSECDUQO-ZLZJIPBDSA-N 2 0 336.524 2.469 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000627030296 469796551 /nfs/dbraw/zinc/79/65/51/469796551.db2.gz HSQQTPQVKXWRLA-CGTJXYLNSA-N 2 0 344.503 2.337 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000627034357 469796926 /nfs/dbraw/zinc/79/69/26/469796926.db2.gz FZDICMIQGHFAOS-SQWLQELKSA-N 2 0 334.464 2.293 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000627167488 469831894 /nfs/dbraw/zinc/83/18/94/469831894.db2.gz HJYZESZARYZRNE-FGTMMUONSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627202075 469842398 /nfs/dbraw/zinc/84/23/98/469842398.db2.gz NEYWSNOUVQHMDQ-BPQIPLTHSA-N 2 0 330.476 2.043 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000608648238 469852404 /nfs/dbraw/zinc/85/24/04/469852404.db2.gz PQYUOLGPAKJWGX-MOPGFXCFSA-N 2 0 344.503 2.244 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000627240125 469853746 /nfs/dbraw/zinc/85/37/46/469853746.db2.gz QRCYCAGZJDZNLV-PBWTXFEYSA-N 2 0 344.503 2.431 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000620825515 469930036 /nfs/dbraw/zinc/93/00/36/469930036.db2.gz LQARLLNZXDTHCK-OALUTQOASA-N 2 0 344.503 2.292 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631041876 470054361 /nfs/dbraw/zinc/05/43/61/470054361.db2.gz CEHAMPHHUGIWNR-SJORKVTESA-N 2 0 335.496 2.059 10 0 EEAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661686 470176891 /nfs/dbraw/zinc/17/68/91/470176891.db2.gz BLXFJZQAORWNEX-YTQUADARSA-N 2 0 327.476 2.414 10 0 EEAERP [NH3+]C1(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCCCCC1 ZINC000634047439 470215466 /nfs/dbraw/zinc/21/54/66/470215466.db2.gz FIEQZOJKWRJEBS-IAGOWNOFSA-N 2 0 336.524 2.459 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cccc(C[NH+]3CCCC3)c1)C2 ZINC000634745257 470291610 /nfs/dbraw/zinc/29/16/10/470291610.db2.gz APSZVWBJQSYIDQ-BGYRXZFFSA-N 2 0 327.472 2.354 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[nH+]1 ZINC000635007080 470399802 /nfs/dbraw/zinc/39/98/02/470399802.db2.gz DSWNGWOFCVOKHJ-CGTJXYLNSA-N 2 0 330.476 2.498 10 0 EEAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000646185793 470558877 /nfs/dbraw/zinc/55/88/77/470558877.db2.gz JBPYBFVCNURGEB-QFBILLFUSA-N 2 0 344.503 2.376 10 0 EEAERP O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899304 471010704 /nfs/dbraw/zinc/01/07/04/471010704.db2.gz GAXXEKPAUIUSJF-SJLPKXTDSA-N 2 0 349.906 2.463 10 0 EEAERP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)CO1 ZINC000657313294 471094823 /nfs/dbraw/zinc/09/48/23/471094823.db2.gz SGTOJMGOVJAZNW-WOJBJXKFSA-N 2 0 331.504 2.481 10 0 EEAERP c1c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)nnn1C1CCC1 ZINC000657426237 471134608 /nfs/dbraw/zinc/13/46/08/471134608.db2.gz YYVPVTRNRUGMGN-UHFFFAOYSA-N 2 0 326.448 2.404 10 0 EEAERP Cc1cc(N2CCC([NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)n[nH]1 ZINC000657442673 471138553 /nfs/dbraw/zinc/13/85/53/471138553.db2.gz VBGCINKEIZNSGY-UHFFFAOYSA-N 2 0 337.431 2.057 10 0 EEAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000651939900 471176872 /nfs/dbraw/zinc/17/68/72/471176872.db2.gz UPZHUAOAROKKPX-UJWQCDCRSA-N 2 0 327.472 2.141 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652172335 471249777 /nfs/dbraw/zinc/24/97/77/471249777.db2.gz VLOHELWVNXEIAZ-OAHLLOKOSA-N 2 0 345.491 2.035 10 0 EEAERP OC1(C[NH2+][C@H]2COC3(CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000658035228 471261276 /nfs/dbraw/zinc/26/12/76/471261276.db2.gz OGZHUUCVMLHXLT-GOSISDBHSA-N 2 0 330.472 2.315 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000658108672 471266766 /nfs/dbraw/zinc/26/67/66/471266766.db2.gz PCOALZGUEGONNG-NFOMZHRRSA-N 2 0 339.446 2.084 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000652288054 471267024 /nfs/dbraw/zinc/26/70/24/471267024.db2.gz RSJHVSGQUHHWSL-LJQANCHMSA-N 2 0 344.503 2.279 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000663506124 471403859 /nfs/dbraw/zinc/40/38/59/471403859.db2.gz QDUPWKNTWUDVCY-HNNXBMFYSA-N 2 0 335.467 2.337 10 0 EEAERP C[N@H+](CCCCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659045085 471486896 /nfs/dbraw/zinc/48/68/96/471486896.db2.gz UMZRRURBGWCGGG-GOSISDBHSA-N 2 0 346.475 2.343 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660801001 471491974 /nfs/dbraw/zinc/49/19/74/471491974.db2.gz ODJLUIUGDSPXIH-LPHOPBHVSA-N 2 0 344.503 2.100 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000663765572 471507931 /nfs/dbraw/zinc/50/79/31/471507931.db2.gz YTBYQTCKNLXCLB-ZWKOTPCHSA-N 2 0 346.519 2.331 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000653214156 471539430 /nfs/dbraw/zinc/53/94/30/471539430.db2.gz JGLIDNUTSVNBFM-UHFFFAOYSA-N 2 0 345.487 2.057 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1 ZINC000666827729 471550659 /nfs/dbraw/zinc/55/06/59/471550659.db2.gz BZPVUAIZHCQVON-GUYCJALGSA-N 2 0 330.407 2.073 10 0 EEAERP C[C@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000669565858 471560206 /nfs/dbraw/zinc/56/02/06/471560206.db2.gz NNDCVTXWXYWYQT-PKOBYXMFSA-N 2 0 330.476 2.092 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC/C=C\C[NH3+] ZINC000669581445 471566196 /nfs/dbraw/zinc/56/61/96/471566196.db2.gz GTNVIIJQAMOQIK-JTGQJZMRSA-N 2 0 330.476 2.101 10 0 EEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659289954 471568435 /nfs/dbraw/zinc/56/84/35/471568435.db2.gz HUNPGBIDDAEUKP-UHFFFAOYSA-N 2 0 342.487 2.347 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659380131 471598909 /nfs/dbraw/zinc/59/89/09/471598909.db2.gz AQWXWPQBVURRQQ-QXAKKESOSA-N 2 0 341.499 2.403 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000659428260 471621687 /nfs/dbraw/zinc/62/16/87/471621687.db2.gz ZOWHCNVJQUALFT-BRWVUGGUSA-N 2 0 336.455 2.150 10 0 EEAERP C[C@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000659438943 471629135 /nfs/dbraw/zinc/62/91/35/471629135.db2.gz PJCMOJOHEIVNDW-SJLPKXTDSA-N 2 0 336.524 2.140 10 0 EEAERP [NH3+]C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000656196417 471629344 /nfs/dbraw/zinc/62/93/44/471629344.db2.gz RZYVORNSIGCGSU-OAHLLOKOSA-N 2 0 331.382 2.140 10 0 EEAERP CN(C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667331188 471742630 /nfs/dbraw/zinc/74/26/30/471742630.db2.gz WEIJRVLWAWRSQW-RBUKOAKNSA-N 2 0 342.487 2.139 10 0 EEAERP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000653975475 471793944 /nfs/dbraw/zinc/79/39/44/471793944.db2.gz RTEQPMNOCOXZHF-WOVMCDHWSA-N 2 0 348.491 2.479 10 0 EEAERP CCc1cccnc1[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287263 471990506 /nfs/dbraw/zinc/99/05/06/471990506.db2.gz GOZPLFAUWRNUQB-OAHLLOKOSA-N 2 0 332.492 2.285 10 0 EEAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CCO1 ZINC000662320561 472070230 /nfs/dbraw/zinc/07/02/30/472070230.db2.gz CMRKVARCNXCVER-KRWDZBQOSA-N 2 0 337.439 2.197 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000665556825 472093239 /nfs/dbraw/zinc/09/32/39/472093239.db2.gz FHUDEZYWTSZTEC-QGZVFWFLSA-N 2 0 336.524 2.377 10 0 EEAERP [NH3+]C1(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000662577447 472160389 /nfs/dbraw/zinc/16/03/89/472160389.db2.gz VQNHIFZRNKZRLI-PIIMJCKOSA-N 2 0 327.472 2.142 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673861661 485559040 /nfs/dbraw/zinc/55/90/40/485559040.db2.gz YRYFSELNBMJPGE-QGZVFWFLSA-N 2 0 340.431 2.359 10 0 EEAERP Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657486740 485566351 /nfs/dbraw/zinc/56/63/51/485566351.db2.gz IWIZVCQQPXYMFJ-WMLDXEAASA-N 2 0 338.415 2.011 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(CNC3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000658143481 485571376 /nfs/dbraw/zinc/57/13/76/485571376.db2.gz YUOFNVFMDRHQRI-NRFANRHFSA-N 2 0 343.515 2.217 10 0 EEAERP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658142573 485572580 /nfs/dbraw/zinc/57/25/80/485572580.db2.gz YOXVOSARTLNVGV-YJBOKZPZSA-N 2 0 326.444 2.202 10 0 EEAERP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000679393929 485682308 /nfs/dbraw/zinc/68/23/08/485682308.db2.gz IXTBKPKKMUORFG-JBINPLMMSA-N 2 0 343.515 2.491 10 0 EEAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000679433269 485693411 /nfs/dbraw/zinc/69/34/11/485693411.db2.gz RWGCMPGPMFFHSL-MRXNPFEDSA-N 2 0 328.420 2.071 10 0 EEAERP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000629598607 485739764 /nfs/dbraw/zinc/73/97/64/485739764.db2.gz PGZPZGUNSOYDLA-UXPWSPDFSA-N 2 0 331.504 2.069 10 0 EEAERP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000684391215 485867479 /nfs/dbraw/zinc/86/74/79/485867479.db2.gz RAWLNRXWGZNTMF-MSOLQXFVSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000675092331 485900458 /nfs/dbraw/zinc/90/04/58/485900458.db2.gz WVFKREBAYBOCBG-KBAYOESNSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000675092332 485901154 /nfs/dbraw/zinc/90/11/54/485901154.db2.gz WVFKREBAYBOCBG-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)C2)CC1 ZINC000682733315 486546873 /nfs/dbraw/zinc/54/68/73/486546873.db2.gz WJHKTERACFTRAY-LCLWPZTBSA-N 2 0 335.536 2.340 10 0 EEAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000682916099 486583763 /nfs/dbraw/zinc/58/37/63/486583763.db2.gz GEJZKNXKFKYRSP-KSSFIOAISA-N 2 0 333.451 2.247 10 0 EEAERP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000158967462 528895960 /nfs/dbraw/zinc/89/59/60/528895960.db2.gz YDTJFALSDBUDDU-UHFFFAOYSA-N 2 0 338.471 2.369 10 0 EEAERP C[NH+](C)CCNC(=S)NCc1ccccc1C[NH+]1CCCCC1 ZINC000730595387 577044866 /nfs/dbraw/zinc/04/48/66/577044866.db2.gz CNJAWMZTBZTLJE-UHFFFAOYSA-N 2 0 334.533 2.198 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccnc(-n2ccnc2)c1 ZINC000730785077 577055576 /nfs/dbraw/zinc/05/55/76/577055576.db2.gz DDSUDXWHUZTUPA-GASCZTMLSA-N 2 0 327.432 2.260 10 0 EEAERP CC[NH+](CC)CC1CC[NH+](CN2CC3(CC2=O)CCOCC3)CC1 ZINC000753093193 577781433 /nfs/dbraw/zinc/78/14/33/577781433.db2.gz SSYHQWPTCOIEOV-UHFFFAOYSA-N 2 0 337.508 2.027 10 0 EEAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000915163154 684058601 /nfs/dbraw/zinc/05/86/01/684058601.db2.gz AKVZAEZJAPSTAN-YJBOKZPZSA-N 2 0 336.524 2.423 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000163314411 687835113 /nfs/dbraw/zinc/83/51/13/687835113.db2.gz FLXZUUYCZCZNTJ-HNNXBMFYSA-N 2 0 332.448 2.495 10 0 EEAERP CC(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001485645003 1191877761 /nfs/dbraw/zinc/87/77/61/1191877761.db2.gz SYOLEJOCKQVWLD-IAGOWNOFSA-N 2 0 341.540 2.216 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001485658542 1191878987 /nfs/dbraw/zinc/87/89/87/1191878987.db2.gz SYVGGCYUHKIKKB-ZIFCJYIRSA-N 2 0 347.478 2.494 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691960570 1176066972 /nfs/dbraw/zinc/06/69/72/1176066972.db2.gz AZGTWJFPIDDNST-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCCC2CCOCC2)C1)[NH+](C)C ZINC001266534044 1176772887 /nfs/dbraw/zinc/77/28/87/1176772887.db2.gz ASJQAVRXWYMVLL-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001670708200 1177023268 /nfs/dbraw/zinc/02/32/68/1177023268.db2.gz XBVRUIUAHNTKKI-GOSISDBHSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702398 1177228096 /nfs/dbraw/zinc/22/80/96/1177228096.db2.gz ZSJYDEWNFBYBJB-GOSISDBHSA-N 2 0 333.451 2.024 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001266764363 1177375555 /nfs/dbraw/zinc/37/55/55/1177375555.db2.gz PTIKMFJVKNPUNY-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001266828203 1177501773 /nfs/dbraw/zinc/50/17/73/1177501773.db2.gz QPBKHZNCXOQTFO-MRXNPFEDSA-N 2 0 327.419 2.099 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccncc1Cl ZINC001691339646 1177934262 /nfs/dbraw/zinc/93/42/62/1177934262.db2.gz JATBGQKEKVDVFI-MRXNPFEDSA-N 2 0 338.883 2.157 10 0 EEAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001266972663 1177951182 /nfs/dbraw/zinc/95/11/82/1177951182.db2.gz AODVCEXNBZAKGA-QRQLOZEOSA-N 2 0 329.488 2.392 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)[NH+](C)C ZINC001267043788 1178139068 /nfs/dbraw/zinc/13/90/68/1178139068.db2.gz DQDBHOSWNVBIHV-OALUTQOASA-N 2 0 331.504 2.253 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001267068139 1178183402 /nfs/dbraw/zinc/18/34/02/1178183402.db2.gz DEBQRHXCNGTDGI-QZTJIDSGSA-N 2 0 347.478 2.148 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072081 1178190563 /nfs/dbraw/zinc/19/05/63/1178190563.db2.gz QQDNLFGUBJEZIZ-CYBMUJFWSA-N 2 0 344.286 2.493 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC(F)(F)C1 ZINC001267163302 1178365017 /nfs/dbraw/zinc/36/50/17/1178365017.db2.gz QOCAUOPQWWWGAI-JKSUJKDBSA-N 2 0 343.462 2.487 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@@H+]1Cc1cscn1)C12CC[NH+](CC1)C2 ZINC001267178896 1178432085 /nfs/dbraw/zinc/43/20/85/1178432085.db2.gz GQXALBHHKILITD-INIZCTEOSA-N 2 0 348.516 2.100 10 0 EEAERP Cc1cnc([C@@H](C)N(C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cn1 ZINC001480951866 1179125868 /nfs/dbraw/zinc/12/58/68/1179125868.db2.gz PODZPALRMKYXGN-AEFFLSMTSA-N 2 0 347.507 2.014 10 0 EEAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ncccc1C ZINC001480979906 1179416574 /nfs/dbraw/zinc/41/65/74/1179416574.db2.gz BAGJDEUTEKEOLK-QGZVFWFLSA-N 2 0 332.492 2.203 10 0 EEAERP CC[N@H+](CCCc1cccc(F)c1)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001481011867 1179489815 /nfs/dbraw/zinc/48/98/15/1179489815.db2.gz QDBSOMNMRKNUQR-UHFFFAOYSA-N 2 0 347.478 2.292 10 0 EEAERP COc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)c1C ZINC001481055396 1179640622 /nfs/dbraw/zinc/64/06/22/1179640622.db2.gz FFLMNMPIEFAOQF-QGZVFWFLSA-N 2 0 333.476 2.036 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267616751 1179903629 /nfs/dbraw/zinc/90/36/29/1179903629.db2.gz ALVDHBYTWUPEGS-QGZVFWFLSA-N 2 0 341.540 2.360 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CCCCC(F)(F)F)C1 ZINC001267684708 1180156486 /nfs/dbraw/zinc/15/64/86/1180156486.db2.gz SCUXXNLUXOOZDU-AWEZNQCLSA-N 2 0 337.430 2.451 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(F)c2Cl)CC[N@@H+]1C ZINC001481231457 1180362469 /nfs/dbraw/zinc/36/24/69/1180362469.db2.gz BIHXHXLBSLYUQL-TZMCWYRMSA-N 2 0 341.858 2.367 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ncccc2C)C1)[NH+](C)C ZINC001267887563 1180692112 /nfs/dbraw/zinc/69/21/12/1180692112.db2.gz MFGFBLGCNFXDAN-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001267917429 1180760598 /nfs/dbraw/zinc/76/05/98/1180760598.db2.gz GEGVEYUYLJXXHB-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267928651 1180777130 /nfs/dbraw/zinc/77/71/30/1180777130.db2.gz LULYUYJZWPLYDF-ULQDDVLXSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ncsc1C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481347033 1181085087 /nfs/dbraw/zinc/08/50/87/1181085087.db2.gz FKVVQRXRNLYAAO-OAHLLOKOSA-N 2 0 338.521 2.262 10 0 EEAERP CCCN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001481409598 1181242792 /nfs/dbraw/zinc/24/27/92/1181242792.db2.gz OXXLSTFGTGYJEU-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cncs2)C1 ZINC001481502892 1181580505 /nfs/dbraw/zinc/58/05/05/1181580505.db2.gz DNMIRQOOHIAVNG-HNNXBMFYSA-N 2 0 338.521 2.155 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCC(F)(F)F)C1 ZINC001481524334 1181642534 /nfs/dbraw/zinc/64/25/34/1181642534.db2.gz JITJCSAJEAVKIH-KGLIPLIRSA-N 2 0 335.414 2.394 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCCC1 ZINC001268100816 1181746422 /nfs/dbraw/zinc/74/64/22/1181746422.db2.gz QKFCKEYQGZSUPI-AWEZNQCLSA-N 2 0 339.430 2.040 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001268122329 1181770577 /nfs/dbraw/zinc/77/05/77/1181770577.db2.gz HIPVZCZFLKVYIN-RDJZCZTQSA-N 2 0 339.499 2.485 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCOCC(C)C)C1 ZINC001268150480 1181836979 /nfs/dbraw/zinc/83/69/79/1181836979.db2.gz ISBJRWFMQWSQEH-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP COCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268161732 1181876258 /nfs/dbraw/zinc/87/62/58/1181876258.db2.gz GBXJTBAHVBHGEW-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001268180027 1181961711 /nfs/dbraw/zinc/96/17/11/1181961711.db2.gz UCKSJPNQJQEFBJ-QFBILLFUSA-N 2 0 347.503 2.225 10 0 EEAERP Cc1nc[nH]c1CC(=O)NC[C@@H]([NH2+]Cc1cccc(Cl)n1)C(C)C ZINC001268227047 1182042880 /nfs/dbraw/zinc/04/28/80/1182042880.db2.gz PJUDLCVOEUEYNB-OAHLLOKOSA-N 2 0 349.866 2.240 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001481655196 1182137661 /nfs/dbraw/zinc/13/76/61/1182137661.db2.gz SPQPFJRQFJSEIF-QGZVFWFLSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@@H](CC[NH2+]CCCC1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268394463 1182459970 /nfs/dbraw/zinc/45/99/70/1182459970.db2.gz MEPGYMRAVCUKBJ-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481748649 1182527393 /nfs/dbraw/zinc/52/73/93/1182527393.db2.gz QQPDHPNIQGCMDC-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CN(C(=O)Cn1ccnc1)[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481754322 1182555294 /nfs/dbraw/zinc/55/52/94/1182555294.db2.gz MPMAZWANLNVZHS-IBGZPJMESA-N 2 0 340.471 2.439 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268415343 1182572277 /nfs/dbraw/zinc/57/22/77/1182572277.db2.gz PPUCQIXGUWYUNW-AWEZNQCLSA-N 2 0 335.879 2.420 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001481823727 1182743181 /nfs/dbraw/zinc/74/31/81/1182743181.db2.gz KQPWDGOXLKHHGE-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cncs1 ZINC001481854588 1182814380 /nfs/dbraw/zinc/81/43/80/1182814380.db2.gz FFDCKJIEJLHAQC-HOCLYGCPSA-N 2 0 338.521 2.390 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001481986336 1183090682 /nfs/dbraw/zinc/09/06/82/1183090682.db2.gz MQYHHRJJRVXYCW-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001482004895 1183110321 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2.058 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001269509648 1184336945 /nfs/dbraw/zinc/33/69/45/1184336945.db2.gz LDQSAMDNUPROJZ-AEFFLSMTSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@@H](O)CCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001270309046 1185005053 /nfs/dbraw/zinc/00/50/53/1185005053.db2.gz SYYFKAWFPRIEJC-VQIMIIECSA-N 2 0 347.503 2.103 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CCc2cccs2)C1 ZINC001270830911 1185440006 /nfs/dbraw/zinc/44/00/06/1185440006.db2.gz UTQOWBIQWWMYIL-GOSISDBHSA-N 2 0 337.533 2.461 10 0 EEAERP CC(C)C[C@@H](C[NH2+]Cc1nccs1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482397165 1185605978 /nfs/dbraw/zinc/60/59/78/1185605978.db2.gz UXGTWKHUTVKYJW-CABCVRRESA-N 2 0 338.521 2.105 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001482444105 1185751214 /nfs/dbraw/zinc/75/12/14/1185751214.db2.gz IQTOPRCLCACZLD-QZTJIDSGSA-N 2 0 348.466 2.176 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCOC)CC[N@@H+]1C ZINC001482448833 1185811290 /nfs/dbraw/zinc/81/12/90/1185811290.db2.gz MBQOSGMUODWOLG-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271092357 1185876803 /nfs/dbraw/zinc/87/68/03/1185876803.db2.gz JWYSTTIGCSUKRA-CYBMUJFWSA-N 2 0 338.883 2.013 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001482459432 1185918921 /nfs/dbraw/zinc/91/89/21/1185918921.db2.gz YZSORTDCVPWWHY-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001271129943 1185939146 /nfs/dbraw/zinc/93/91/46/1185939146.db2.gz RAJHBQQSLANGHO-SJORKVTESA-N 2 0 327.513 2.111 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001271156532 1185990554 /nfs/dbraw/zinc/99/05/54/1185990554.db2.gz XQZCKQRNYPFFFF-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001271181832 1186063603 /nfs/dbraw/zinc/06/36/03/1186063603.db2.gz NSAVMXHNILYKFI-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CC(C)C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271261986 1186112089 /nfs/dbraw/zinc/11/20/89/1186112089.db2.gz WQDBOOLGJJFRHX-GJZGRUSLSA-N 2 0 349.441 2.401 10 0 EEAERP COCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001271347139 1186152653 /nfs/dbraw/zinc/15/26/53/1186152653.db2.gz KMJJAGNLIXSHKP-SFHVURJKSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482491850 1186281529 /nfs/dbraw/zinc/28/15/29/1186281529.db2.gz CAJZHCDICAPZOS-MAUKXSAKSA-N 2 0 335.467 2.494 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001271738261 1186445800 /nfs/dbraw/zinc/44/58/00/1186445800.db2.gz GHFNLYYYNUKWOZ-STQMWFEESA-N 2 0 336.307 2.474 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCc2ccccc2)C2CC2)C1 ZINC001485826167 1193468025 /nfs/dbraw/zinc/46/80/25/1193468025.db2.gz IYASVIKPKTWLER-YLJYHZDGSA-N 2 0 343.515 2.398 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1cccc(OC)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001482964132 1187899636 /nfs/dbraw/zinc/89/96/36/1187899636.db2.gz XRBCUEZITZDLEC-MRXNPFEDSA-N 2 0 345.487 2.290 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cncc(F)c2)C1 ZINC001483049687 1188288023 /nfs/dbraw/zinc/28/80/23/1188288023.db2.gz PFTBOFQVFVQIFP-LIMHQNJXSA-N 2 0 348.466 2.105 10 0 EEAERP O=C(NC/C=C\C[NH2+][C@H]1CCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001483083878 1188445098 /nfs/dbraw/zinc/44/50/98/1188445098.db2.gz RVINNOVBSMGSFZ-JXCVUKRWSA-N 2 0 325.456 2.032 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)cs1 ZINC001272824101 1193563456 /nfs/dbraw/zinc/56/34/56/1193563456.db2.gz UTLNVUJHNBHJER-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483098207 1188474063 /nfs/dbraw/zinc/47/40/63/1188474063.db2.gz PMEBKAMBWHKDJD-QWNKOJSDSA-N 2 0 348.491 2.174 10 0 EEAERP Cc1ccncc1C[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001409284363 1188598513 /nfs/dbraw/zinc/59/85/13/1188598513.db2.gz KMYPGRGECHHHCY-UHFFFAOYSA-N 2 0 344.503 2.250 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001483226964 1189497868 /nfs/dbraw/zinc/49/78/68/1189497868.db2.gz PGHNKHNVXVFUQH-MAUKXSAKSA-N 2 0 332.492 2.166 10 0 EEAERP C[C@@H]([NH2+]Cc1cnc(Cl)s1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001409346480 1189553438 /nfs/dbraw/zinc/55/34/38/1189553438.db2.gz DKFQXLUVJDAZPG-MNOVXSKESA-N 2 0 344.912 2.264 10 0 EEAERP C[C@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC[C@H](C)F ZINC001485942682 1193653340 /nfs/dbraw/zinc/65/33/40/1193653340.db2.gz WKHPYOGGTFBMST-LSDHHAIUSA-N 2 0 327.488 2.293 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccns2)CCCCC1 ZINC001409763131 1190253526 /nfs/dbraw/zinc/25/35/26/1190253526.db2.gz OERKRBOBGVMBLI-HNNXBMFYSA-N 2 0 336.505 2.146 10 0 EEAERP Cc1nc(CNC[C@H](C)NC(=O)[C@H](c2ccccc2)N(C)C)oc1C ZINC001483298032 1190320799 /nfs/dbraw/zinc/32/07/99/1190320799.db2.gz HCLMUQZWJOBHEQ-UGSOOPFHSA-N 2 0 344.459 2.189 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC001483604973 1190585330 /nfs/dbraw/zinc/58/53/30/1190585330.db2.gz BHFVIHCVTSILTD-WMHRWZGDSA-N 2 0 327.472 2.280 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC2CCOCC2)CCCCC1 ZINC001409798827 1190630513 /nfs/dbraw/zinc/63/05/13/1190630513.db2.gz JWDBLBNVSFDCQR-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1nocc1C ZINC001409847470 1190679642 /nfs/dbraw/zinc/67/96/42/1190679642.db2.gz RFNNOJQZAWRCIU-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1ccc(CCC[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001483683400 1190745776 /nfs/dbraw/zinc/74/57/76/1190745776.db2.gz ZLEHDQYMZFZGCP-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP O=C(CCCn1ccnc1)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001483706530 1190785537 /nfs/dbraw/zinc/78/55/37/1190785537.db2.gz ORZMWFFMAXHAFJ-QGZVFWFLSA-N 2 0 330.476 2.434 10 0 EEAERP COc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)ccc1C ZINC001272553781 1190876393 /nfs/dbraw/zinc/87/63/93/1190876393.db2.gz BGGSMAJIZJIZLE-KRWDZBQOSA-N 2 0 347.503 2.284 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001409905019 1190992819 /nfs/dbraw/zinc/99/28/19/1190992819.db2.gz CGWAMDQVPLBMAL-ZIAGYGMSSA-N 2 0 331.451 2.200 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001483912279 1191113917 /nfs/dbraw/zinc/11/39/17/1191113917.db2.gz OQBVMKILPKUNPZ-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCc2ccccc2F)CCN1C(=O)CC[NH+](C)C ZINC001483908234 1191120189 /nfs/dbraw/zinc/12/01/89/1191120189.db2.gz IUPPBBCHXXCZQA-DOTOQJQBSA-N 2 0 335.467 2.289 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001483911207 1191121152 /nfs/dbraw/zinc/12/11/52/1191121152.db2.gz HRUXRPSRMWWDCO-PKOBYXMFSA-N 2 0 349.494 2.490 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccns1)C1CCCC1 ZINC001483995727 1191148389 /nfs/dbraw/zinc/14/83/89/1191148389.db2.gz HPQFKKMNUINSDM-CVEARBPZSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001484071648 1191192261 /nfs/dbraw/zinc/19/22/61/1191192261.db2.gz MEEJZVLHAMHUMC-HXUWFJFHSA-N 2 0 329.488 2.480 10 0 EEAERP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001484099323 1191210119 /nfs/dbraw/zinc/21/01/19/1191210119.db2.gz GNPCQYMCTFJGPB-LPHOPBHVSA-N 2 0 330.476 2.074 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001484116104 1191218167 /nfs/dbraw/zinc/21/81/67/1191218167.db2.gz VUDJJILGGANTNO-OXJNMPFZSA-N 2 0 344.503 2.060 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCOC2CCC2)C3)CCC1 ZINC001484316575 1191300726 /nfs/dbraw/zinc/30/07/26/1191300726.db2.gz QAOPMEIDVUEYPA-ULQDDVLXSA-N 2 0 349.519 2.009 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2nocc2C)C1 ZINC001484523102 1191397445 /nfs/dbraw/zinc/39/74/45/1191397445.db2.gz PLXBCRBMBBOYNP-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1c(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)ccc2c[nH+]cn21 ZINC001484528057 1191399521 /nfs/dbraw/zinc/39/95/21/1191399521.db2.gz UNYLBEHPSDGDSS-HNNXBMFYSA-N 2 0 332.423 2.444 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484547025 1191408500 /nfs/dbraw/zinc/40/85/00/1191408500.db2.gz LYONBSHACKOEBB-FUHWJXTLSA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CN(C)CCO1 ZINC001484555711 1191417454 /nfs/dbraw/zinc/41/74/54/1191417454.db2.gz VRDZCOBOGMJEHH-LJQANCHMSA-N 2 0 345.487 2.031 10 0 EEAERP C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001484563489 1191418479 /nfs/dbraw/zinc/41/84/79/1191418479.db2.gz OXJVRHHGWOLSPK-AEFFLSMTSA-N 2 0 345.487 2.086 10 0 EEAERP Cc1ccncc1C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001484580720 1191425703 /nfs/dbraw/zinc/42/57/03/1191425703.db2.gz QSMRURIJIKFFKW-UHFFFAOYSA-N 2 0 344.503 2.156 10 0 EEAERP O=C(NCC1([NH2+]Cc2ccccn2)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484639264 1191454281 /nfs/dbraw/zinc/45/42/81/1191454281.db2.gz PVNILBONIHYYMJ-MSOLQXFVSA-N 2 0 342.487 2.227 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC(F)(F)C2)CC1 ZINC001484728353 1191487299 /nfs/dbraw/zinc/48/72/99/1191487299.db2.gz NARZEFSBZLPWNK-HNNXBMFYSA-N 2 0 331.451 2.343 10 0 EEAERP CCC1([NH2+]Cc2cncs2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484815275 1191534603 /nfs/dbraw/zinc/53/46/03/1191534603.db2.gz DGUILEAPECCYSJ-UHFFFAOYSA-N 2 0 338.521 2.346 10 0 EEAERP CCC1([NH2+]Cc2nc(C)cs2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484817111 1191538446 /nfs/dbraw/zinc/53/84/46/1191538446.db2.gz WJWJEJAIJPBADC-UHFFFAOYSA-N 2 0 338.521 2.264 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(F)c1Cl ZINC001484900038 1191565267 /nfs/dbraw/zinc/56/52/67/1191565267.db2.gz NBLFUPXROVZJDZ-SWLSCSKDSA-N 2 0 341.858 2.367 10 0 EEAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1)OC ZINC001484923153 1191576538 /nfs/dbraw/zinc/57/65/38/1191576538.db2.gz GBEUJGAKZPBHLD-MRXNPFEDSA-N 2 0 341.540 2.360 10 0 EEAERP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001484977192 1191604578 /nfs/dbraw/zinc/60/45/78/1191604578.db2.gz GBQDOYVGXSDSIO-HOTGVXAUSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197774 1191682656 /nfs/dbraw/zinc/68/26/56/1191682656.db2.gz FKMARHNLLKLUDJ-JKSUJKDBSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001485187253 1191684973 /nfs/dbraw/zinc/68/49/73/1191684973.db2.gz CFOKQNRUHBNRDH-LSDHHAIUSA-N 2 0 344.459 2.276 10 0 EEAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485193875 1191687580 /nfs/dbraw/zinc/68/75/80/1191687580.db2.gz LCYDSGXWTOMAOP-OLZOCXBDSA-N 2 0 338.496 2.252 10 0 EEAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001485253857 1191705128 /nfs/dbraw/zinc/70/51/28/1191705128.db2.gz RLIBCTZLOUPIDT-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCCC1CCOCC1 ZINC001485285412 1191716826 /nfs/dbraw/zinc/71/68/26/1191716826.db2.gz CTSSKCADKZPTFB-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC001485337059 1191740999 /nfs/dbraw/zinc/74/09/99/1191740999.db2.gz RKJZDJBXMRTIEC-FUHWJXTLSA-N 2 0 347.503 2.031 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@H](C)c2cnccn2)CCCCC1 ZINC001485456384 1191792396 /nfs/dbraw/zinc/79/23/96/1191792396.db2.gz QRLQUYSORQJYLO-MRXNPFEDSA-N 2 0 347.507 2.288 10 0 EEAERP Cc1cncc(C[N@@H+]2CC[C@]3(NC(=O)CCC[NH+](C)C)CCC[C@@H]23)c1 ZINC001486151773 1193702589 /nfs/dbraw/zinc/70/25/89/1193702589.db2.gz YDFMOLNJOLMTRB-UYAOXDASSA-N 2 0 344.503 2.345 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486179524 1193716937 /nfs/dbraw/zinc/71/69/37/1193716937.db2.gz IVHAMOLRROSBQC-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+](C)C)CC2(C)C)o1 ZINC001486246483 1193773414 /nfs/dbraw/zinc/77/34/14/1193773414.db2.gz LPZYYBJFAOZDRZ-MRXNPFEDSA-N 2 0 336.480 2.042 10 0 EEAERP CC/C=C/CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001486286088 1193791677 /nfs/dbraw/zinc/79/16/77/1193791677.db2.gz SPOPECNQRHAVJY-FUTAKVPZSA-N 2 0 344.459 2.022 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC[C@H]1CCCCO1)C(C)(C)C ZINC001486423023 1193936887 /nfs/dbraw/zinc/93/68/87/1193936887.db2.gz DTYRQPOZTGTPQZ-SJORKVTESA-N 2 0 341.540 2.406 10 0 EEAERP COCC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001486417222 1193947403 /nfs/dbraw/zinc/94/74/03/1193947403.db2.gz PRRWLAUCIYYPEB-QGZVFWFLSA-N 2 0 335.492 2.129 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCOC)CC1 ZINC001486446573 1193961318 /nfs/dbraw/zinc/96/13/18/1193961318.db2.gz QFSZJLBJGWOLFA-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486483723 1193997685 /nfs/dbraw/zinc/99/76/85/1193997685.db2.gz PGKOAVONJHIMJH-HTWSVDAQSA-N 2 0 348.491 2.182 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493655062 1197356569 /nfs/dbraw/zinc/35/65/69/1197356569.db2.gz SQEVPBSXVIAQGZ-OAHLLOKOSA-N 2 0 327.831 2.121 10 0 EEAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001410254002 1197636965 /nfs/dbraw/zinc/63/69/65/1197636965.db2.gz PKMSJNMGSVXCIH-MRXNPFEDSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001410438270 1197896109 /nfs/dbraw/zinc/89/61/09/1197896109.db2.gz LOGCBQJVJFZEDJ-ZDUSSCGKSA-N 2 0 336.480 2.102 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872027446 1198029131 /nfs/dbraw/zinc/02/91/31/1198029131.db2.gz JREAWWCMNATSBZ-GOSISDBHSA-N 2 0 344.503 2.415 10 0 EEAERP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000872044841 1198033133 /nfs/dbraw/zinc/03/31/33/1198033133.db2.gz GCVLQSSWILEFII-RBUKOAKNSA-N 2 0 347.503 2.273 10 0 EEAERP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000865438934 1198217927 /nfs/dbraw/zinc/21/79/27/1198217927.db2.gz LPOGKMZBIHPMSE-UHFFFAOYSA-N 2 0 344.459 2.182 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001273343626 1198253531 /nfs/dbraw/zinc/25/35/31/1198253531.db2.gz YIRHIIHPKVLUPP-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)C1(C)CCC([NH2+]Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000865764802 1198365817 /nfs/dbraw/zinc/36/58/17/1198365817.db2.gz CFXTVRWBUXHCFG-UHFFFAOYSA-N 2 0 328.464 2.074 10 0 EEAERP CC[C@H](C)Oc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(C)n1 ZINC000866010498 1198453607 /nfs/dbraw/zinc/45/36/07/1198453607.db2.gz KWWMLDHAKNEPSQ-USXIJHARSA-N 2 0 349.523 2.138 10 0 EEAERP COc1ccc2nc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccc2c1 ZINC000866012759 1198454335 /nfs/dbraw/zinc/45/43/35/1198454335.db2.gz PUWLTYBWYPFFTB-IAGOWNOFSA-N 2 0 342.487 2.419 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cc(C3CC3)no1)CC2 ZINC001410912533 1198566837 /nfs/dbraw/zinc/56/68/37/1198566837.db2.gz TVCYVPLBRVYBHV-MJGOQNOKSA-N 2 0 346.475 2.117 10 0 EEAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC001411030191 1198710007 /nfs/dbraw/zinc/71/00/07/1198710007.db2.gz XDRMVCBXFZBFIT-GJZGRUSLSA-N 2 0 349.441 2.211 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccc(F)cc2)C(C)(C)C)C1 ZINC001411220462 1198930781 /nfs/dbraw/zinc/93/07/81/1198930781.db2.gz FWFWSWLNKIWKND-NVXWUHKLSA-N 2 0 335.467 2.398 10 0 EEAERP CC(C)(C)[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001411221844 1198932267 /nfs/dbraw/zinc/93/22/67/1198932267.db2.gz YPFVLAGUCHXAMY-CQSZACIVSA-N 2 0 343.462 2.248 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001411259774 1198994046 /nfs/dbraw/zinc/99/40/46/1198994046.db2.gz JNHPUDNGSWIEFV-INIZCTEOSA-N 2 0 332.492 2.139 10 0 EEAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000810244373 1199398356 /nfs/dbraw/zinc/39/83/56/1199398356.db2.gz RLBDITSZMWRAGT-CRAIPNDOSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000810351966 1199463556 /nfs/dbraw/zinc/46/35/56/1199463556.db2.gz CEWGJQHRCFEUIE-CRAIPNDOSA-N 2 0 325.472 2.286 10 0 EEAERP Cc1ccc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870024206 1200412958 /nfs/dbraw/zinc/41/29/58/1200412958.db2.gz KRBSNVBDENLJIB-RTBURBONSA-N 2 0 331.504 2.125 10 0 EEAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870874326 1200924081 /nfs/dbraw/zinc/92/40/81/1200924081.db2.gz FVCVTDOOWQAPCV-FZMZJTMJSA-N 2 0 342.281 2.295 10 0 EEAERP CC[NH+]1CCN(c2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2F)CC1 ZINC000871012451 1201005926 /nfs/dbraw/zinc/00/59/26/1201005926.db2.gz UTXSYJVCTHBOOI-TYILLQQXSA-N 2 0 346.450 2.034 10 0 EEAERP C[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000866526293 1201541933 /nfs/dbraw/zinc/54/19/33/1201541933.db2.gz IMPXDUBHBBBLHY-HNNXBMFYSA-N 2 0 339.524 2.112 10 0 EEAERP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866665671 1201574217 /nfs/dbraw/zinc/57/42/17/1201574217.db2.gz HYNQQAXTIGYDTJ-OLZOCXBDSA-N 2 0 341.297 2.394 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001274498037 1205058027 /nfs/dbraw/zinc/05/80/27/1205058027.db2.gz CTJYPVMQDPOSQH-RXYHWBRQSA-N 2 0 335.879 2.444 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC/C=C\CN[C@@H](C)c1nc2ccccc2o1 ZINC001274610704 1205096891 /nfs/dbraw/zinc/09/68/91/1205096891.db2.gz PVKNURBFWIKQRD-LZNQSLFOSA-N 2 0 344.459 2.491 10 0 EEAERP CC[C@@H](C(=O)NC[C@H](C)N(C)Cc1cccc(Cl)n1)[NH+](C)C ZINC001275976851 1205614023 /nfs/dbraw/zinc/61/40/23/1205614023.db2.gz JQYWQTUKLLLMLS-JSGCOSHPSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001276070487 1205759884 /nfs/dbraw/zinc/75/98/84/1205759884.db2.gz HINRWBJJTSIQMX-PKOBYXMFSA-N 2 0 344.503 2.345 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1ccnn1CC1CCC1)CN1CC[NH+](C)CC1 ZINC000924952639 1206054696 /nfs/dbraw/zinc/05/46/96/1206054696.db2.gz NUPFOOLDGHGKGP-IRXDYDNUSA-N 2 0 333.524 2.217 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)CC1 ZINC000925041391 1206064316 /nfs/dbraw/zinc/06/43/16/1206064316.db2.gz NZDHDJDETDURTK-SUMWQHHRSA-N 2 0 334.895 2.480 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925539410 1206124892 /nfs/dbraw/zinc/12/48/92/1206124892.db2.gz WIUFRXIMOGUZSQ-IPMKNSEASA-N 2 0 348.487 2.495 10 0 EEAERP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925595089 1206133572 /nfs/dbraw/zinc/13/35/72/1206133572.db2.gz FUGSJHCRCDVZHE-RTBURBONSA-N 2 0 329.488 2.483 10 0 EEAERP COc1ccc([C@@H](CN[C@H]2CC[NH2+]C23CCC3)[NH+](C)C)cc1OC ZINC000925620013 1206136625 /nfs/dbraw/zinc/13/66/25/1206136625.db2.gz DGQGYQKZILKVLA-QAPCUYQASA-N 2 0 333.476 2.181 10 0 EEAERP CC1(C)C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623062 1206136834 /nfs/dbraw/zinc/13/68/34/1206136834.db2.gz OOHKXXZGXURRJJ-YSTOQKLRSA-N 2 0 345.531 2.365 10 0 EEAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777203 1206153205 /nfs/dbraw/zinc/15/32/05/1206153205.db2.gz CDVGZCQGOJZLDW-ZIAGYGMSSA-N 2 0 325.403 2.262 10 0 EEAERP COc1ccc([C@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000925778929 1206153682 /nfs/dbraw/zinc/15/36/82/1206153682.db2.gz VHZJDZFJVPKBAP-PVAVHDDUSA-N 2 0 339.430 2.323 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ncc(Br)cc1F ZINC000925812307 1206156946 /nfs/dbraw/zinc/15/69/46/1206156946.db2.gz ODWULPUFWCVUBR-JTQLQIEISA-N 2 0 345.260 2.057 10 0 EEAERP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000925836435 1206158780 /nfs/dbraw/zinc/15/87/80/1206158780.db2.gz KRICNVOVUWIQDR-MOPGFXCFSA-N 2 0 331.504 2.385 10 0 EEAERP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855209 1206161208 /nfs/dbraw/zinc/16/12/08/1206161208.db2.gz TUMSPVCYTCIZGE-DOTOQJQBSA-N 2 0 344.455 2.484 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@H]1CC[NH3+] ZINC000925953915 1206174215 /nfs/dbraw/zinc/17/42/15/1206174215.db2.gz SVZWBGNBHAOFOD-HUUCEWRRSA-N 2 0 334.464 2.076 10 0 EEAERP C[C@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCCCCC1 ZINC000928834436 1206425914 /nfs/dbraw/zinc/42/59/14/1206425914.db2.gz GTCGEPDEPAHUSN-SJLPKXTDSA-N 2 0 332.492 2.455 10 0 EEAERP C[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000928837891 1206426238 /nfs/dbraw/zinc/42/62/38/1206426238.db2.gz WZBDQZMGYQUHNF-UIBIWLFHSA-N 2 0 332.492 2.452 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccccc1 ZINC000929712551 1206495793 /nfs/dbraw/zinc/49/57/93/1206495793.db2.gz WCZZBDYBQAWTSP-LJQANCHMSA-N 2 0 347.503 2.297 10 0 EEAERP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930137337 1206537148 /nfs/dbraw/zinc/53/71/48/1206537148.db2.gz RQOFGPIUGRYCBZ-NQNKBUKLSA-N 2 0 327.463 2.236 10 0 EEAERP C[N@H+](C[C@@H](O)CC[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461140 1206559949 /nfs/dbraw/zinc/55/99/49/1206559949.db2.gz UVDZHLPRDDHSFL-VYFYYAICSA-N 2 0 332.488 2.418 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000933736056 1207829145 /nfs/dbraw/zinc/82/91/45/1207829145.db2.gz QVGSYHBXNSCYLS-IKGGRYGDSA-N 2 0 342.405 2.492 10 0 EEAERP C[C@H]1COCC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717991966 1211685067 /nfs/dbraw/zinc/68/50/67/1211685067.db2.gz BONNOJIFMNJWIA-PKOBYXMFSA-N 2 0 332.488 2.418 10 0 EEAERP C[C@@H]1C[N@H+](CCOc2ccc3c(c2)OCO3)CCN1c1cc[nH+]cc1 ZINC001413050666 1221285416 /nfs/dbraw/zinc/28/54/16/1221285416.db2.gz SWEROQMDXOUJDI-OAHLLOKOSA-N 2 0 341.411 2.400 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379568 1238494496 /nfs/dbraw/zinc/49/44/96/1238494496.db2.gz JZBPMRZPSVQXOQ-KBXCAEBGSA-N 2 0 333.451 2.203 10 0 EEAERP C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903215973 1240030158 /nfs/dbraw/zinc/03/01/58/1240030158.db2.gz RUTHEIXXAYNOBQ-QXAKKESOSA-N 2 0 329.488 2.355 10 0 EEAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755698 1241846196 /nfs/dbraw/zinc/84/61/96/1241846196.db2.gz KOEYGQNQRWZYHX-ZWOKBUDYSA-N 2 0 340.471 2.269 10 0 EEAERP Cc1nc(C(C)(C)NC[C@H](C[NH3+])Cc2cnn(C)c2C)sc1C ZINC000903899206 1242393982 /nfs/dbraw/zinc/39/39/82/1242393982.db2.gz QVPKSUXFXQJFFK-AWEZNQCLSA-N 2 0 335.521 2.444 10 0 EEAERP O[C@@H](C[C@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000903899988 1242397026 /nfs/dbraw/zinc/39/70/26/1242397026.db2.gz XQRPWUYSQVAQGN-QHEDDYRISA-N 2 0 336.501 2.403 10 0 EEAERP CC(C)c1ccc([C@@H]([NH3+])CNCc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903918255 1242480038 /nfs/dbraw/zinc/48/00/38/1242480038.db2.gz VTVSFZVDAVGRBB-MJGOQNOKSA-N 2 0 342.491 2.116 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)cnn1C ZINC000903925138 1242520124 /nfs/dbraw/zinc/52/01/24/1242520124.db2.gz KSQHOKGSPNAMAU-JFIYKMOQSA-N 2 0 336.524 2.277 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932922 1242555982 /nfs/dbraw/zinc/55/59/82/1242555982.db2.gz IDSLFOXPBAKFJF-LMMKCTJWSA-N 2 0 334.508 2.127 10 0 EEAERP CC(C)C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000903938063 1242589201 /nfs/dbraw/zinc/58/92/01/1242589201.db2.gz YXCFFWVPPVTDCZ-SFHVURJKSA-N 3 0 348.539 2.002 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@H]1CC[NH3+] ZINC000903978330 1242833499 /nfs/dbraw/zinc/83/34/99/1242833499.db2.gz LCAGHMBNNJFRID-NVXWUHKLSA-N 2 0 345.487 2.008 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)[NH+]1CCCC1 ZINC001491083976 1258649921 /nfs/dbraw/zinc/64/99/21/1258649921.db2.gz ZPHQIWAZNDLKHW-XHSDSOJGSA-N 2 0 343.462 2.389 10 0 EEAERP Cc1cc(C[NH+]2CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001491300272 1258926783 /nfs/dbraw/zinc/92/67/83/1258926783.db2.gz MZTYSDPEYYJHBP-HZPDHXFCSA-N 2 0 336.480 2.040 10 0 EEAERP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491338139 1258966219 /nfs/dbraw/zinc/96/62/19/1258966219.db2.gz MEXHRKBYXYURRL-ZBRFXRBCSA-N 2 0 339.499 2.291 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001491454990 1259098181 /nfs/dbraw/zinc/09/81/81/1259098181.db2.gz NIXOZZKMKRLSKZ-VQIMIIECSA-N 2 0 346.519 2.220 10 0 EEAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCc1cccs1 ZINC001491495665 1259145387 /nfs/dbraw/zinc/14/53/87/1259145387.db2.gz OZLVPRSXUKZCCT-HNNXBMFYSA-N 2 0 335.517 2.261 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC001273446744 1278413644 /nfs/dbraw/zinc/41/36/44/1278413644.db2.gz SKGCTQQEZVPNHL-GOSISDBHSA-N 2 0 347.503 2.378 10 0 EEAERP COC(=O)N(C)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000850548229 1277263686 /nfs/dbraw/zinc/26/36/86/1277263686.db2.gz ZSCLLOIRZSKVNN-MRXNPFEDSA-N 2 0 333.476 2.370 10 0 EEAERP C[NH2+]CCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000851676535 1277714758 /nfs/dbraw/zinc/71/47/58/1277714758.db2.gz KAVQLZJFSOQKHO-GOSISDBHSA-N 2 0 344.503 2.150 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001489203386 1290447060 /nfs/dbraw/zinc/44/70/60/1290447060.db2.gz ZGDMRHTXFPFHSB-HBFSDRIKSA-N 2 0 341.499 2.406 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccns1 ZINC001490361441 1291302056 /nfs/dbraw/zinc/30/20/56/1291302056.db2.gz NFFVDEQKFZVPGM-INIZCTEOSA-N 2 0 338.521 2.346 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](C[C@H](F)CC)CC2 ZINC001490606855 1291518437 /nfs/dbraw/zinc/51/84/37/1291518437.db2.gz VOPYOBVQNWKYRF-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760633 1292189715 /nfs/dbraw/zinc/18/97/15/1292189715.db2.gz JVYVCYGCTIHJIQ-QZTJIDSGSA-N 2 0 347.459 2.054 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852857801 1292218329 /nfs/dbraw/zinc/21/83/29/1292218329.db2.gz GPZIOSSUQFHFIP-CJNGLKHVSA-N 2 0 330.432 2.103 10 0 EEAERP O=C(C=C1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000852864390 1292218855 /nfs/dbraw/zinc/21/88/55/1292218855.db2.gz UPHVRBYNTMTHHC-UHFFFAOYSA-N 2 0 343.471 2.139 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585195 1293573077 /nfs/dbraw/zinc/57/30/77/1293573077.db2.gz ANUDQDYEYNWLHW-QUCCMNQESA-N 2 0 346.519 2.471 10 0 EEAERP CCO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000926960116 1296969518 /nfs/dbraw/zinc/96/95/18/1296969518.db2.gz DQCFXOAMWMIYSH-MISYRCLQSA-N 2 0 333.520 2.453 10 0 EEAERP C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927145199 1297036639 /nfs/dbraw/zinc/03/66/39/1297036639.db2.gz JZZZBLBPDMNZKD-SZMVWBNQSA-N 2 0 339.487 2.173 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)COC1CC[NH+](C)CC1 ZINC000929481767 1297078587 /nfs/dbraw/zinc/07/85/87/1297078587.db2.gz YAJBEHLYPHDULI-UHFFFAOYSA-N 2 0 347.503 2.255 10 0 EEAERP CCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001276799584 1297861242 /nfs/dbraw/zinc/86/12/42/1297861242.db2.gz ISLIJOIZDQXPCP-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491164670 1299646670 /nfs/dbraw/zinc/64/66/70/1299646670.db2.gz XTXKLDTXBTUBCL-CVEARBPZSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](CCCNCc1ncc(C2CC2)o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277265619 1302080091 /nfs/dbraw/zinc/08/00/91/1302080091.db2.gz ZLWFTUURPAQWPH-UKRRQHHQSA-N 2 0 334.464 2.021 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N(CCC[NH2+]CC2CC2)Cc2ccccc2)C1 ZINC001277461779 1303374904 /nfs/dbraw/zinc/37/49/04/1303374904.db2.gz SXUKRPDDQGGXHA-IBGZPJMESA-N 2 0 329.488 2.357 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N(CCC[NH2+]CC2CC2)Cc2ccccc2)C1 ZINC001277461781 1303375114 /nfs/dbraw/zinc/37/51/14/1303375114.db2.gz SXUKRPDDQGGXHA-LJQANCHMSA-N 2 0 329.488 2.357 10 0 EEAERP Cc1cccc([C@H](C)[N@H+](C)CCOCCNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001277476516 1303574939 /nfs/dbraw/zinc/57/49/39/1303574939.db2.gz XTIZNUAKCMZZAH-HKUYNNGSSA-N 2 0 347.503 2.215 10 0 EEAERP COCCCCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001277892178 1305025806 /nfs/dbraw/zinc/02/58/06/1305025806.db2.gz KNFLXOYEPBSUQC-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP COCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278410147 1310125950 /nfs/dbraw/zinc/12/59/50/1310125950.db2.gz KGYAPXIZGSJZHR-IBGZPJMESA-N 2 0 344.459 2.264 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001278466010 1310430739 /nfs/dbraw/zinc/43/07/39/1310430739.db2.gz FEACQMNOARURCJ-PXNSSMCTSA-N 2 0 349.519 2.011 10 0 EEAERP C[NH+](C)CCc1ccc(C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)cc1 ZINC001279003273 1318970897 /nfs/dbraw/zinc/97/08/97/1318970897.db2.gz VMRQIIJGLYPOOT-KRWDZBQOSA-N 2 0 337.483 2.494 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)[C@@H](c2ccccc2)C1 ZINC001263845229 1322535287 /nfs/dbraw/zinc/53/52/87/1322535287.db2.gz FETDCMGVJIEHBO-LULLPPNCSA-N 2 0 347.478 2.176 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001263875223 1322544878 /nfs/dbraw/zinc/54/48/78/1322544878.db2.gz KKFRPYWJJDTRAB-LSTDLKDCSA-N 2 0 349.519 2.057 10 0 EEAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001264997889 1322845562 /nfs/dbraw/zinc/84/55/62/1322845562.db2.gz XSFBRSUIQMFBDL-KRWDZBQOSA-N 2 0 341.446 2.489 10 0 EEAERP Cc1ncc(C[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C2CC2)o1 ZINC001265161537 1322958559 /nfs/dbraw/zinc/95/85/59/1322958559.db2.gz QVBWOJWXPIXYLP-GOSISDBHSA-N 2 0 348.491 2.327 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001265422174 1323147483 /nfs/dbraw/zinc/14/74/83/1323147483.db2.gz CWLZOZDYMMQTIH-VYDDFXDLSA-N 2 0 327.472 2.375 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001265636208 1323285173 /nfs/dbraw/zinc/28/51/73/1323285173.db2.gz FRVSTXSYJQBBML-HKFHSAMXSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1cccc(F)c1 ZINC001265850847 1323425018 /nfs/dbraw/zinc/42/50/18/1323425018.db2.gz JMVVQZVPERQIEA-RDJZCZTQSA-N 2 0 335.467 2.194 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C/c2ccccc2)C1 ZINC001265923670 1323490160 /nfs/dbraw/zinc/49/01/60/1323490160.db2.gz URSAXYJLVJMWNC-WGLAMXGCSA-N 2 0 329.488 2.480 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001266026123 1323576514 /nfs/dbraw/zinc/57/65/14/1323576514.db2.gz DWHDGSYIGBIRQJ-MRXNPFEDSA-N 2 0 335.467 2.148 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266119556 1323688940 /nfs/dbraw/zinc/68/89/40/1323688940.db2.gz HKCQKOCHHAJRRM-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266220265 1323791236 /nfs/dbraw/zinc/79/12/36/1323791236.db2.gz QMVQZZAQCDXCBQ-QGZVFWFLSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1oncc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001266231300 1323809385 /nfs/dbraw/zinc/80/93/85/1323809385.db2.gz FSIIRJWWBYEKTE-SFHVURJKSA-N 2 0 348.491 2.186 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001279564688 1323937316 /nfs/dbraw/zinc/93/73/16/1323937316.db2.gz FYMUVFIDDNUYMJ-ROUUACIJSA-N 2 0 349.519 2.107 10 0 EEAERP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCCOC(C)C)C[C@H]21)[NH+](C)C ZINC001279624565 1323963945 /nfs/dbraw/zinc/96/39/45/1323963945.db2.gz LWRBROQUYCUMOE-OKZBNKHCSA-N 2 0 339.524 2.065 10 0 EEAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001280582598 1324314889 /nfs/dbraw/zinc/31/48/89/1324314889.db2.gz JTHRECMWCFVEGU-FGTMMUONSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c1 ZINC001281463005 1325130530 /nfs/dbraw/zinc/13/05/30/1325130530.db2.gz RTKMDBZQNRAZRD-ICSRJNTNSA-N 2 0 343.515 2.460 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001281551728 1325262357 /nfs/dbraw/zinc/26/23/57/1325262357.db2.gz CTLQXMAMCYCHJP-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001282045867 1325596844 /nfs/dbraw/zinc/59/68/44/1325596844.db2.gz PWEBAIFGEXTYGC-UHFFFAOYSA-N 2 0 338.883 2.061 10 0 EEAERP CCOCC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001282636652 1325755919 /nfs/dbraw/zinc/75/59/19/1325755919.db2.gz RIIGNZBVEHWIMW-CALCHBBNSA-N 2 0 339.524 2.304 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001282887445 1325823037 /nfs/dbraw/zinc/82/30/37/1325823037.db2.gz GJQAJPZFWVDKET-LDLYASANSA-N 2 0 329.488 2.213 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)NCC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC001282894147 1325825675 /nfs/dbraw/zinc/82/56/75/1325825675.db2.gz JPPHTHXSCIGOSX-HPMDPLCASA-N 2 0 339.911 2.299 10 0 EEAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3)C2)CC1 ZINC001283092512 1325916140 /nfs/dbraw/zinc/91/61/40/1325916140.db2.gz RDLXGLUGKBRIQA-MXVIHJGJSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001283714793 1326215573 /nfs/dbraw/zinc/21/55/73/1326215573.db2.gz PJGSIZFHRKAILM-SFHVURJKSA-N 2 0 347.503 2.215 10 0 EEAERP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]cn3)CCC[C@@H]12 ZINC001284066418 1326389916 /nfs/dbraw/zinc/38/99/16/1326389916.db2.gz GPUJQOPLWXDOBS-SZVBFZGTSA-N 2 0 348.491 2.128 10 0 EEAERP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCF)CC1 ZINC001284712421 1326678556 /nfs/dbraw/zinc/67/85/56/1326678556.db2.gz MHEFYROUAFDFOG-RDJZCZTQSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1 ZINC001284735976 1326688819 /nfs/dbraw/zinc/68/88/19/1326688819.db2.gz DXYCDZFUXWLCON-CHWSQXEVSA-N 2 0 341.393 2.055 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001491601349 1330180466 /nfs/dbraw/zinc/18/04/66/1330180466.db2.gz JQSXNXBBVAPWEW-MAUKXSAKSA-N 2 0 332.492 2.247 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)CC[N@@H+]1C ZINC001491726284 1330232179 /nfs/dbraw/zinc/23/21/79/1330232179.db2.gz RCVIAPFZUXLUOO-NZSAHSFTSA-N 2 0 329.488 2.150 10 0 EEAERP COCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491888977 1330290657 /nfs/dbraw/zinc/29/06/57/1330290657.db2.gz MAEDYTIBIDXULV-QZTJIDSGSA-N 2 0 339.524 2.162 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491888852 1330290697 /nfs/dbraw/zinc/29/06/97/1330290697.db2.gz KRUPMGVFIMAAKI-MOPGFXCFSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001491896164 1330294232 /nfs/dbraw/zinc/29/42/32/1330294232.db2.gz KVPZLRHBJIPQMR-GJZGRUSLSA-N 2 0 338.521 2.309 10 0 EEAERP C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491955703 1330348508 /nfs/dbraw/zinc/34/85/08/1330348508.db2.gz DAXBPWKYRUOTSD-SJORKVTESA-N 2 0 327.488 2.389 10 0 EEAERP Cc1ccc(C)c(OCC[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001492128187 1330981488 /nfs/dbraw/zinc/98/14/88/1330981488.db2.gz LRNJXJVZOGVWFR-MSOLQXFVSA-N 2 0 347.503 2.118 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001492175844 1331053575 /nfs/dbraw/zinc/05/35/75/1331053575.db2.gz MILYTRZSIZONPV-MSOLQXFVSA-N 2 0 349.519 2.012 10 0 EEAERP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1CC[NH2+]CCF ZINC001316682908 1331318786 /nfs/dbraw/zinc/31/87/86/1331318786.db2.gz PLDHLBKGOJHKGM-RDJZCZTQSA-N 2 0 327.488 2.295 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001316704949 1331835063 /nfs/dbraw/zinc/83/50/63/1331835063.db2.gz VVHRSVAGVXPEON-SQNIBIBYSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]CCCF ZINC001316713185 1331859070 /nfs/dbraw/zinc/85/90/70/1331859070.db2.gz QHJILBZVOJGEGF-BRWVUGGUSA-N 2 0 327.488 2.437 10 0 EEAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001316799760 1331899726 /nfs/dbraw/zinc/89/97/26/1331899726.db2.gz HVNBKMBXMVTTNK-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cnc(C)cn1 ZINC001316826343 1331917011 /nfs/dbraw/zinc/91/70/11/1331917011.db2.gz BGSDQWLYJOPSBV-AEFFLSMTSA-N 2 0 347.507 2.159 10 0 EEAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001316933027 1331999334 /nfs/dbraw/zinc/99/93/34/1331999334.db2.gz DVEGNJYXXWVAOO-SFHVURJKSA-N 2 0 339.524 2.209 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001317091364 1332075692 /nfs/dbraw/zinc/07/56/92/1332075692.db2.gz RPHRWCGBJGSLJP-BRWVUGGUSA-N 2 0 335.517 2.259 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001317109949 1332083651 /nfs/dbraw/zinc/08/36/51/1332083651.db2.gz SILAJVVFWXAHJK-ZCNNSNEGSA-N 2 0 341.499 2.198 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379357 1332205725 /nfs/dbraw/zinc/20/57/25/1332205725.db2.gz NFZKRYLWGCVSNX-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317601088 1332320086 /nfs/dbraw/zinc/32/00/86/1332320086.db2.gz QNKKAVMSABJHGZ-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317619516 1332331192 /nfs/dbraw/zinc/33/11/92/1332331192.db2.gz BHPIWVQBOKBAJC-OLZOCXBDSA-N 2 0 336.307 2.103 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC001317665073 1332359064 /nfs/dbraw/zinc/35/90/64/1332359064.db2.gz NVUYTPQFNSYRBS-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317837366 1332426251 /nfs/dbraw/zinc/42/62/51/1332426251.db2.gz RCHOUHBNQCJEMI-QZTJIDSGSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]C/C=C/Cl)cc2)CC1 ZINC001319000657 1332635757 /nfs/dbraw/zinc/63/57/57/1332635757.db2.gz SXCIFNNYDPNNTM-XNWCZRBMSA-N 2 0 335.879 2.487 10 0 EEAERP CC(C)(C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1)[NH+]1CCCC1 ZINC001319660682 1332736463 /nfs/dbraw/zinc/73/64/63/1332736463.db2.gz XRPXTVYQMDLYFA-INIZCTEOSA-N 2 0 327.488 2.485 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccon1 ZINC001319759511 1332760662 /nfs/dbraw/zinc/76/06/62/1332760662.db2.gz ZPBZZQJZUOBQAO-MSOLQXFVSA-N 2 0 348.491 2.410 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001319779483 1332766145 /nfs/dbraw/zinc/76/61/45/1332766145.db2.gz UTCMHAFCDOXVLA-HOTGVXAUSA-N 2 0 336.480 2.184 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001319791306 1332769218 /nfs/dbraw/zinc/76/92/18/1332769218.db2.gz LDHJCNKYDHBTBQ-MOPGFXCFSA-N 2 0 344.503 2.203 10 0 EEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(Cl)n1 ZINC001319905709 1332795298 /nfs/dbraw/zinc/79/52/98/1332795298.db2.gz MNNOIVGMFPXLKL-HUUCEWRRSA-N 2 0 338.883 2.060 10 0 EEAERP Cc1cccc(OCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001320464944 1332890150 /nfs/dbraw/zinc/89/01/50/1332890150.db2.gz WBFWSYAZMSGDTI-MJGOQNOKSA-N 2 0 347.503 2.343 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1 ZINC001320473793 1332892084 /nfs/dbraw/zinc/89/20/84/1332892084.db2.gz JKQSYOFCHHBQAL-GOEBONIOSA-N 2 0 338.521 2.248 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001320474971 1332892553 /nfs/dbraw/zinc/89/25/53/1332892553.db2.gz WJOMYKSDGADHBW-HKUYNNGSSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001320607046 1332919807 /nfs/dbraw/zinc/91/98/07/1332919807.db2.gz IHVIXOTWHXQUID-GFCCVEGCSA-N 2 0 341.908 2.482 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320999921 1332995265 /nfs/dbraw/zinc/99/52/65/1332995265.db2.gz WFPDXUROBPXLCP-DKFQHHCZSA-N 2 0 345.487 2.330 10 0 EEAERP Cc1c(C(=O)NC/C=C\C[NH2+]CCOC2CCC2)ccc2c[nH+]cn21 ZINC001321127749 1333026370 /nfs/dbraw/zinc/02/63/70/1333026370.db2.gz WWGPCQDHPMCLKA-IHWYPQMZSA-N 2 0 342.443 2.087 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CC=C(Cl)Cl)CC1 ZINC001321279550 1333062175 /nfs/dbraw/zinc/06/21/75/1333062175.db2.gz IUDKITYTETTYMO-IHWYPQMZSA-N 2 0 334.291 2.299 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccccc1Cl)[NH+](C)C ZINC001321652767 1333138133 /nfs/dbraw/zinc/13/81/33/1333138133.db2.gz PXINWAHDYSBGTA-CJNGLKHVSA-N 2 0 325.884 2.317 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001322042202 1333200996 /nfs/dbraw/zinc/20/09/96/1333200996.db2.gz NPDOKTWCTNDGPM-ZWKOTPCHSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322442102 1333264071 /nfs/dbraw/zinc/26/40/71/1333264071.db2.gz IYTOSRGKJUUNBF-GOSISDBHSA-N 2 0 347.503 2.215 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001322511730 1333274064 /nfs/dbraw/zinc/27/40/64/1333274064.db2.gz JQMRBQWWGUODSZ-UHFFFAOYSA-N 2 0 336.480 2.186 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323090134 1333383105 /nfs/dbraw/zinc/38/31/05/1333383105.db2.gz QBSMKJJGLGFGCT-IBGZPJMESA-N 2 0 349.519 2.082 10 0 EEAERP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CC[NH+](C)C ZINC001324081936 1333604415 /nfs/dbraw/zinc/60/44/15/1333604415.db2.gz QMKFTYBRHRMBRE-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001324818178 1333766312 /nfs/dbraw/zinc/76/63/12/1333766312.db2.gz SGYBEKAMLCPZHA-GOSISDBHSA-N 2 0 336.480 2.043 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2C)C1)[NH+](C)C ZINC001326364747 1334076803 /nfs/dbraw/zinc/07/68/03/1334076803.db2.gz MYCDNBPZYGIEKA-WMZOPIPTSA-N 2 0 332.492 2.058 10 0 EEAERP Cc1ccc(CC[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001326429152 1334092076 /nfs/dbraw/zinc/09/20/76/1334092076.db2.gz AEXGRAOIJAIGLA-UXHICEINSA-N 2 0 343.515 2.317 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001326566217 1334116606 /nfs/dbraw/zinc/11/66/06/1334116606.db2.gz HAZIEWMZMZJNLU-QAQDUYKDSA-N 2 0 327.488 2.487 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCOCC1 ZINC001327622333 1334324085 /nfs/dbraw/zinc/32/40/85/1334324085.db2.gz QBDASXLJQSIRJL-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001328068524 1334388734 /nfs/dbraw/zinc/38/87/34/1334388734.db2.gz RHNJBIKEGLGTOL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)Cn3cncc3C)[C@@H]2C1 ZINC001330316221 1334822150 /nfs/dbraw/zinc/82/21/50/1334822150.db2.gz BOOZCNAJAWFOCP-AJKFSTMBSA-N 2 0 330.476 2.232 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001332064118 1335716893 /nfs/dbraw/zinc/71/68/93/1335716893.db2.gz LFPYGNQSRXGJHT-IAGOWNOFSA-N 2 0 337.508 2.011 10 0 EEAERP CCCCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001332649170 1335874309 /nfs/dbraw/zinc/87/43/09/1335874309.db2.gz ZULBUBAGNHAPBC-KRWDZBQOSA-N 2 0 346.475 2.198 10 0 EEAERP C[NH+]1CCN(c2cc(C[NH2+]CCc3ccc(F)cc3)ccn2)CC1 ZINC001337413499 1336698325 /nfs/dbraw/zinc/69/83/25/1336698325.db2.gz KQEWQLOALVIUBI-UHFFFAOYSA-N 2 0 328.435 2.305 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C/c1ccncc1 ZINC000847419336 1338046510 /nfs/dbraw/zinc/04/65/10/1338046510.db2.gz SPNWXGOQPCCXTO-LQATUXICSA-N 2 0 344.503 2.359 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001668652318 1355979990 /nfs/dbraw/zinc/97/99/90/1355979990.db2.gz LTFCXWTYCKLWND-KBPBESRZSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001567051079 1342686363 /nfs/dbraw/zinc/68/63/63/1342686363.db2.gz NFVAPKFRYPQNDP-KRWDZBQOSA-N 2 0 331.504 2.364 10 0 EEAERP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2cccnc2)CCC1 ZINC001567255701 1342723002 /nfs/dbraw/zinc/72/30/02/1342723002.db2.gz VVXBRJIDOQLCHK-SFHVURJKSA-N 2 0 344.503 2.427 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001676002609 1357086285 /nfs/dbraw/zinc/08/62/85/1357086285.db2.gz WHJOFVGBEYLJDR-CJNGLKHVSA-N 2 0 336.480 2.008 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001567542373 1342782666 /nfs/dbraw/zinc/78/26/66/1342782666.db2.gz WONRSMIJWZMDEI-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001570014093 1342999792 /nfs/dbraw/zinc/99/97/92/1342999792.db2.gz YLZPIGJIOGRCJZ-GFAPJHNFSA-N 2 0 346.302 2.229 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001570183321 1343028221 /nfs/dbraw/zinc/02/82/21/1343028221.db2.gz IHYNMSHEQOSYSF-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001571506054 1343221864 /nfs/dbraw/zinc/22/18/64/1343221864.db2.gz ZLZJGBIIVUOCQP-MJGOQNOKSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOC(C)C)C1 ZINC001677406898 1357328556 /nfs/dbraw/zinc/32/85/56/1357328556.db2.gz GCNBQDDNMOBBMJ-ABHNRTSZSA-N 2 0 339.524 2.111 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@@H]2C1 ZINC001646941719 1353061216 /nfs/dbraw/zinc/06/12/16/1353061216.db2.gz VPDKJKFCQMECCN-HPBYLSSESA-N 2 0 348.535 2.423 10 0 EEAERP Cc1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)c1Cl ZINC001648572471 1353434863 /nfs/dbraw/zinc/43/48/63/1353434863.db2.gz FSHOGVSGJWEKGI-UHFFFAOYSA-N 2 0 347.290 2.262 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001649438855 1353505403 /nfs/dbraw/zinc/50/54/03/1353505403.db2.gz ACJWJWWQSDXRAC-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)co1 ZINC001671250693 1353923843 /nfs/dbraw/zinc/92/38/43/1353923843.db2.gz FAGZCGUOOACVEC-GDBMZVCRSA-N 2 0 336.480 2.184 10 0 EEAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)[C@H]2C1 ZINC001650608220 1354019949 /nfs/dbraw/zinc/01/99/49/1354019949.db2.gz YKHCZLQULQAILO-GBESFXJTSA-N 2 0 327.472 2.352 10 0 EEAERP CCC[N@H+](C)CCOCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001656863197 1354287835 /nfs/dbraw/zinc/28/78/35/1354287835.db2.gz LTUJYZGLBYDWOF-UHFFFAOYSA-N 2 0 332.448 2.073 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001656909521 1354298988 /nfs/dbraw/zinc/29/89/88/1354298988.db2.gz PNGJILMBNGUPPX-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC[N@@H+](C/C=C/Cl)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001660557397 1354489080 /nfs/dbraw/zinc/48/90/80/1354489080.db2.gz HSLUDCHAUFGEDT-FPYGCLRLSA-N 2 0 347.850 2.462 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCCOC)CC[C@H]21 ZINC001661554892 1354657024 /nfs/dbraw/zinc/65/70/24/1354657024.db2.gz HRLJZRFDUFSAMI-ZWKOTPCHSA-N 2 0 339.524 2.068 10 0 EEAERP COCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001661823778 1354703928 /nfs/dbraw/zinc/70/39/28/1354703928.db2.gz YCDMMSZCRYMEPI-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@H+](CCC(=O)NC1CCC([NH2+]CCCO)CC1)C1CCCCC1 ZINC001662122391 1354752410 /nfs/dbraw/zinc/75/24/10/1354752410.db2.gz UGIGZDHHXLBRRS-UHFFFAOYSA-N 2 0 339.524 2.040 10 0 EEAERP C[C@H](C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001662691279 1354826869 /nfs/dbraw/zinc/82/68/69/1354826869.db2.gz SEADBBGSFQMOKU-AJKQWTFCSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001663000491 1354886029 /nfs/dbraw/zinc/88/60/29/1354886029.db2.gz GVAZKBGGVRWUQW-UKRRQHHQSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001663124063 1354923942 /nfs/dbraw/zinc/92/39/42/1354923942.db2.gz QBDOFDJHBQOGTC-LPHOPBHVSA-N 2 0 347.503 2.103 10 0 EEAERP CCc1nc(CNCCN(C)C(=O)Cn2ccnc2C(C)C)cs1 ZINC001664224106 1355116194 /nfs/dbraw/zinc/11/61/94/1355116194.db2.gz ZEWDEIPPNLPCOS-UHFFFAOYSA-N 2 0 349.504 2.274 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001664309176 1355135151 /nfs/dbraw/zinc/13/51/51/1355135151.db2.gz IHQVYQRFDTURBZ-QGZVFWFLSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cnn(C)c1 ZINC001664510729 1355182402 /nfs/dbraw/zinc/18/24/02/1355182402.db2.gz VSJIBTNHLGGOJI-GOSISDBHSA-N 2 0 349.523 2.010 10 0 EEAERP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@@H]1CCn2ccnc2C1 ZINC001665934103 1355412628 /nfs/dbraw/zinc/41/26/28/1355412628.db2.gz XIAUKJYSBQMKQR-UFZAZABTSA-N 2 0 336.867 2.217 10 0 EEAERP O=C(NC1(C[NH2+]CCCCCF)CCCC1)C12CC[NH+](CC1)C2 ZINC001665959262 1355416037 /nfs/dbraw/zinc/41/60/37/1355416037.db2.gz LOJYAUDBDQVYFV-UHFFFAOYSA-N 2 0 325.472 2.241 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCOC1CCCCCC1 ZINC001666667282 1355562764 /nfs/dbraw/zinc/56/27/64/1355562764.db2.gz RHOQLHURXZMLFI-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCC2=CCCCC2)CCO1 ZINC001666729284 1355578504 /nfs/dbraw/zinc/57/85/04/1355578504.db2.gz HJJPBPQGMBAHIV-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCOC1 ZINC001667307102 1355705173 /nfs/dbraw/zinc/70/51/73/1355705173.db2.gz QQQYSPNNAZKWMF-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001667743272 1355804158 /nfs/dbraw/zinc/80/41/58/1355804158.db2.gz DXDSYDBUSIXWEL-MOPGFXCFSA-N 2 0 343.515 2.445 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ns1 ZINC001668083247 1355865676 /nfs/dbraw/zinc/86/56/76/1355865676.db2.gz XUXVUMHEVLUDRW-CJNGLKHVSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001668243078 1355906615 /nfs/dbraw/zinc/90/66/15/1355906615.db2.gz HXKDEWPDXZJPEG-AWEZNQCLSA-N 2 0 344.459 2.343 10 0 EEAERP CCN(CC[NH2+]CCc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001668382005 1355931417 /nfs/dbraw/zinc/93/14/17/1355931417.db2.gz PVNYSDDOPMISQZ-KRWDZBQOSA-N 2 0 339.430 2.040 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001669000737 1356064513 /nfs/dbraw/zinc/06/45/13/1356064513.db2.gz DSLAGMTTZMSHJC-CSDYLXSXSA-N 2 0 329.435 2.024 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001669000738 1356064688 /nfs/dbraw/zinc/06/46/88/1356064688.db2.gz DSLAGMTTZMSHJC-GLAGEYFUSA-N 2 0 329.435 2.024 10 0 EEAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669040174 1356074496 /nfs/dbraw/zinc/07/44/96/1356074496.db2.gz USHCKNHXYNYOKN-GMMSVRSPSA-N 2 0 331.451 2.209 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC001670344720 1356324123 /nfs/dbraw/zinc/32/41/23/1356324123.db2.gz KHZVLVCKILJIKI-ZIAGYGMSSA-N 2 0 339.430 2.416 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001672857641 1356600242 /nfs/dbraw/zinc/60/02/42/1356600242.db2.gz CXVDRYNMWVAERA-GOSISDBHSA-N 2 0 335.467 2.436 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001673342334 1356669905 /nfs/dbraw/zinc/66/99/05/1356669905.db2.gz LOFGLXFPRYMKFO-GOSISDBHSA-N 2 0 337.508 2.034 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001690621143 1404930532 /nfs/dbraw/zinc/93/05/32/1404930532.db2.gz NSCAHANFSNIHOZ-MAUKXSAKSA-N 2 0 347.503 2.118 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001698748294 1405042037 /nfs/dbraw/zinc/04/20/37/1405042037.db2.gz LETMYCCEEMSBSQ-SQGPQFPESA-N 2 0 345.531 2.474 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001698755271 1405044557 /nfs/dbraw/zinc/04/45/57/1405044557.db2.gz NNVDOUGDPKQNOB-FUHWJXTLSA-N 2 0 347.503 2.200 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001699839892 1405519906 /nfs/dbraw/zinc/51/99/06/1405519906.db2.gz YNRMSKNWSQNNBP-AJFISWQDSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000921432035 773368881 /nfs/dbraw/zinc/36/88/81/773368881.db2.gz FJXUMZPVDMXTNK-XYVMCAHJSA-N 2 0 330.476 2.041 10 0 EEAERP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780118 775486465 /nfs/dbraw/zinc/48/64/65/775486465.db2.gz RWXJHIGCRIRKBG-QWRGUYRKSA-N 2 0 346.809 2.287 10 0 EEAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCc2ccc(C3CC[NH2+]CC3)nc21 ZINC000888097800 777716427 /nfs/dbraw/zinc/71/64/27/777716427.db2.gz OXKXTIOHRQXGIL-WMLDXEAASA-N 2 0 342.487 2.216 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000809948308 783548423 /nfs/dbraw/zinc/54/84/23/783548423.db2.gz YWDOMKABBUOART-YLJYHZDGSA-N 2 0 349.494 2.488 10 0 EEAERP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000819218411 785475454 /nfs/dbraw/zinc/47/54/54/785475454.db2.gz GOOVUCYUHVFFNZ-CTNGQTDRSA-N 2 0 340.467 2.385 10 0 EEAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@@H]2C1 ZINC000911301968 787364649 /nfs/dbraw/zinc/36/46/49/787364649.db2.gz FVMZAHHYKSKTCY-DOTOQJQBSA-N 2 0 326.444 2.457 10 0 EEAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000911928429 787815043 /nfs/dbraw/zinc/81/50/43/787815043.db2.gz KORGHCVYZPTWGA-IBGZPJMESA-N 2 0 340.427 2.032 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)cn2)CC1 ZINC000921523402 788838123 /nfs/dbraw/zinc/83/81/23/788838123.db2.gz ZGWZJXHSFCGWGQ-GBESFXJTSA-N 2 0 344.503 2.128 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)CCc2ccccc2)C1 ZINC000923392550 789480561 /nfs/dbraw/zinc/48/05/61/789480561.db2.gz JVAQGWGEZYPAHR-FYQPLNBISA-N 2 0 332.488 2.341 10 0 EEAERP CCOCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000923403483 789504225 /nfs/dbraw/zinc/50/42/25/789504225.db2.gz QUZLGPHHJSZQAC-PKOBYXMFSA-N 2 0 330.472 2.391 10 0 EEAERP Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923458483 789577002 /nfs/dbraw/zinc/57/70/02/789577002.db2.gz PDWYBHACVNNTQA-INIZCTEOSA-N 2 0 331.460 2.072 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000914023920 794757851 /nfs/dbraw/zinc/75/78/51/794757851.db2.gz MYYYTXYTUCLBFO-QAPCUYQASA-N 2 0 332.492 2.419 10 0 EEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914080275 794844073 /nfs/dbraw/zinc/84/40/73/794844073.db2.gz BXYHDLHAKJLQMS-WMZOPIPTSA-N 2 0 347.507 2.248 10 0 EEAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)ccn1 ZINC000921942104 798277150 /nfs/dbraw/zinc/27/71/50/798277150.db2.gz OBKYWPLELOCXCX-OKZBNKHCSA-N 2 0 333.476 2.317 10 0 EEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000922011966 798661400 /nfs/dbraw/zinc/66/14/00/798661400.db2.gz MZXVYWBGRIJOQH-UHFFFAOYSA-N 2 0 330.520 2.466 10 0 EEAERP C[C@H]1CN(C)C[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCOCC1 ZINC000922743933 801811302 /nfs/dbraw/zinc/81/13/02/801811302.db2.gz AAWPMISUZUYPMM-PKOBYXMFSA-N 2 0 331.504 2.207 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566074919 1125547419 /nfs/dbraw/zinc/54/74/19/1125547419.db2.gz DJLMAWORKXAPFP-ZWKOTPCHSA-N 2 0 341.540 2.360 10 0 EEAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130693 1125582020 /nfs/dbraw/zinc/58/20/20/1125582020.db2.gz BAOIQPWMLYDWQO-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)s1 ZINC001566488572 1125651025 /nfs/dbraw/zinc/65/10/25/1125651025.db2.gz CUZGEINIOCUVRK-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)on1 ZINC001436410168 1087762455 /nfs/dbraw/zinc/76/24/55/1087762455.db2.gz BRERCFLRLRXAPJ-DLBZAZTESA-N 2 0 348.491 2.234 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](C)OC)CC(C)(C)C1 ZINC001436502048 1088029476 /nfs/dbraw/zinc/02/94/76/1088029476.db2.gz VVQXEKOKQBJDJV-IAGOWNOFSA-N 2 0 341.540 2.360 10 0 EEAERP Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001436790917 1088352124 /nfs/dbraw/zinc/35/21/24/1088352124.db2.gz RMNFDEJYSJRYNC-VQTJNVASSA-N 2 0 341.499 2.321 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1 ZINC001437217362 1089298234 /nfs/dbraw/zinc/29/82/34/1089298234.db2.gz UQDBHCRWESVIBI-WMZOPIPTSA-N 2 0 339.524 2.160 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1Cl ZINC001437251374 1089379071 /nfs/dbraw/zinc/37/90/71/1089379071.db2.gz UMZWEXPRTFEQKL-LBPRGKRZSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001437256879 1089388678 /nfs/dbraw/zinc/38/86/78/1089388678.db2.gz AVICJQQSVJPKMQ-WVSRPDOZSA-N 2 0 335.879 2.399 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCc4ccccc43)C2)CC1 ZINC001437308831 1089465635 /nfs/dbraw/zinc/46/56/35/1089465635.db2.gz GYVUXOVDWHGTGE-VQIMIIECSA-N 2 0 341.499 2.454 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001437311393 1089470937 /nfs/dbraw/zinc/47/09/37/1089470937.db2.gz MACJMTICXDILFU-SFHVURJKSA-N 2 0 347.503 2.364 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1coc(C2CC2)n1 ZINC001437369534 1089607688 /nfs/dbraw/zinc/60/76/88/1089607688.db2.gz GDNXZXGBGXPYFE-RHSMWYFYSA-N 2 0 348.491 2.409 10 0 EEAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccn1 ZINC001437379656 1089625830 /nfs/dbraw/zinc/62/58/30/1089625830.db2.gz JNGJJBKARYXSBQ-APWZRJJASA-N 2 0 344.503 2.473 10 0 EEAERP COCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001437463039 1089784580 /nfs/dbraw/zinc/78/45/80/1089784580.db2.gz MJGKITIEUDRQKZ-IBGZPJMESA-N 2 0 347.503 2.254 10 0 EEAERP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC001437541574 1089992716 /nfs/dbraw/zinc/99/27/16/1089992716.db2.gz OVSOMFPDVHYOEZ-HKUYNNGSSA-N 2 0 346.519 2.367 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC001437702573 1090249024 /nfs/dbraw/zinc/24/90/24/1090249024.db2.gz NZNPYYFHZSOJCW-IBGZPJMESA-N 2 0 347.478 2.435 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001437867145 1090446727 /nfs/dbraw/zinc/44/67/27/1090446727.db2.gz CHPZDPBNMJMNPA-MOPGFXCFSA-N 2 0 345.487 2.098 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001438009320 1090604646 /nfs/dbraw/zinc/60/46/46/1090604646.db2.gz GOLFSDOJLNCNRD-RQTGCPSESA-N 2 0 327.900 2.442 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](CCCc2ccc(Cl)cc2)C1 ZINC001438157515 1090671278 /nfs/dbraw/zinc/67/12/78/1090671278.db2.gz GITQGNTWIVWZLA-UHFFFAOYSA-N 2 0 349.906 2.416 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001438163604 1090676785 /nfs/dbraw/zinc/67/67/85/1090676785.db2.gz SQWBBZVJZGITFT-SFHVURJKSA-N 2 0 329.488 2.009 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)cn1 ZINC001438345276 1090821231 /nfs/dbraw/zinc/82/12/31/1090821231.db2.gz QLZKIZPECLDTLU-DLBZAZTESA-N 2 0 347.507 2.034 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC001438370274 1090847758 /nfs/dbraw/zinc/84/77/58/1090847758.db2.gz GJEURCFPZNBCAN-WMZOPIPTSA-N 2 0 349.523 2.323 10 0 EEAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)C[NH+]2CCCC2)C2CC2)cc1 ZINC001438428613 1090926935 /nfs/dbraw/zinc/92/69/35/1090926935.db2.gz KWDFJGDAABCGIL-FQEVSTJZSA-N 2 0 329.488 2.465 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001438463308 1090970502 /nfs/dbraw/zinc/97/05/02/1090970502.db2.gz AOFJWYVPQSZARK-UHFFFAOYSA-N 2 0 329.488 2.453 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001438655382 1091142222 /nfs/dbraw/zinc/14/22/22/1091142222.db2.gz VXCPPYQZHCFYST-DYVFJYSZSA-N 2 0 336.480 2.101 10 0 EEAERP COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001438686168 1091185888 /nfs/dbraw/zinc/18/58/88/1091185888.db2.gz RFAKPBRHCVGNGI-RDJZCZTQSA-N 2 0 347.503 2.282 10 0 EEAERP COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001438686164 1091186383 /nfs/dbraw/zinc/18/63/83/1091186383.db2.gz RFAKPBRHCVGNGI-NVXWUHKLSA-N 2 0 347.503 2.282 10 0 EEAERP C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480994 1091259214 /nfs/dbraw/zinc/25/92/14/1091259214.db2.gz LXPPYJIQVBSZGL-CHWSQXEVSA-N 2 0 337.414 2.216 10 0 EEAERP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001445500537 1091279635 /nfs/dbraw/zinc/27/96/35/1091279635.db2.gz MALBIBJNZZDTED-WBVHZDCISA-N 2 0 333.476 2.020 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001438818355 1091435335 /nfs/dbraw/zinc/43/53/35/1091435335.db2.gz STODZAOCKLMVRF-RHSMWYFYSA-N 2 0 347.438 2.359 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001438956922 1091649538 /nfs/dbraw/zinc/64/95/38/1091649538.db2.gz FMKXYGGZPIFWGX-HUUCEWRRSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439110266 1091754217 /nfs/dbraw/zinc/75/42/17/1091754217.db2.gz UOTDDERAODAYQE-IIDMSEBBSA-N 2 0 329.488 2.499 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001439114080 1091758890 /nfs/dbraw/zinc/75/88/90/1091758890.db2.gz FUVTUKGNHNTNBE-CZUORRHYSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(Cl)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439168870 1091817046 /nfs/dbraw/zinc/81/70/46/1091817046.db2.gz UFTODYSSZJYHFA-LLVKDONJSA-N 2 0 327.881 2.092 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001445947676 1091886687 /nfs/dbraw/zinc/88/66/87/1091886687.db2.gz HHOZMEFAGGOSHR-ZMYBRWDISA-N 2 0 347.478 2.459 10 0 EEAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001439366392 1092092140 /nfs/dbraw/zinc/09/21/40/1092092140.db2.gz MRDBCJDSNTXAAV-RDTXWAMCSA-N 2 0 327.488 2.436 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCc3ccc(Cl)cc3)CC2)C1 ZINC001446269508 1092418125 /nfs/dbraw/zinc/41/81/25/1092418125.db2.gz YEOGCJVIIPXDBO-INIZCTEOSA-N 2 0 349.906 2.463 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001439863688 1092894751 /nfs/dbraw/zinc/89/47/51/1092894751.db2.gz DCUODLHQTFNCDB-FXAWDEMLSA-N 2 0 344.503 2.121 10 0 EEAERP Cc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001439906161 1092972008 /nfs/dbraw/zinc/97/20/08/1092972008.db2.gz SVEKMVWGZZADGD-HXUWFJFHSA-N 2 0 341.499 2.419 10 0 EEAERP Cc1ncoc1C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001439942411 1093046111 /nfs/dbraw/zinc/04/61/11/1093046111.db2.gz QIPDTUCFTIWQQR-QFBILLFUSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1cnccc1C)C2 ZINC001440106563 1093167611 /nfs/dbraw/zinc/16/76/11/1093167611.db2.gz FGABIDQZJLOJLO-UHOSZYNNSA-N 2 0 344.503 2.201 10 0 EEAERP CCc1cnc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C3)o1 ZINC001440120584 1093182086 /nfs/dbraw/zinc/18/20/86/1093182086.db2.gz BBONSPOZLYJJEO-MUJYYYPQSA-N 2 0 348.491 2.048 10 0 EEAERP COc1ccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)cc1F ZINC001440353615 1093508859 /nfs/dbraw/zinc/50/88/59/1093508859.db2.gz NKZRRHGSUXQPSO-UHFFFAOYSA-N 2 0 349.450 2.059 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cccc(F)c3)CCC2)C1 ZINC001440359964 1093522535 /nfs/dbraw/zinc/52/25/35/1093522535.db2.gz WXXPRGFWYWPICA-MRXNPFEDSA-N 2 0 333.451 2.296 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001440362036 1093525675 /nfs/dbraw/zinc/52/56/75/1093525675.db2.gz LJOBTLHYHDGUMJ-JCNLHEQBSA-N 2 0 349.906 2.463 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001448698251 1093761558 /nfs/dbraw/zinc/76/15/58/1093761558.db2.gz MRVGNNFUILYELQ-PBHICJAKSA-N 2 0 336.480 2.040 10 0 EEAERP CCC1([NH2+]Cc2nccs2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001440538317 1093804699 /nfs/dbraw/zinc/80/46/99/1093804699.db2.gz KHKMIYBLYDVNQN-UHFFFAOYSA-N 2 0 338.521 2.344 10 0 EEAERP CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccc(OC)cc1 ZINC001440560640 1093830403 /nfs/dbraw/zinc/83/04/03/1093830403.db2.gz JOFKGFOARSRWHF-RBUKOAKNSA-N 2 0 347.503 2.331 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001440594198 1093858658 /nfs/dbraw/zinc/85/86/58/1093858658.db2.gz SYSWGKDVMCQELL-HNAYVOBHSA-N 2 0 346.519 2.402 10 0 EEAERP CC[C@@H](C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1)OC ZINC001440692623 1093945011 /nfs/dbraw/zinc/94/50/11/1093945011.db2.gz VYFJAQNZGFSZQQ-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001440761196 1094003300 /nfs/dbraw/zinc/00/33/00/1094003300.db2.gz ALOJBEFLIWIVBZ-UHFFFAOYSA-N 2 0 343.462 2.392 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001440839003 1094092534 /nfs/dbraw/zinc/09/25/34/1094092534.db2.gz PAWYQWSJIODXOE-CABCVRRESA-N 2 0 335.467 2.459 10 0 EEAERP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001441002414 1094274291 /nfs/dbraw/zinc/27/42/91/1094274291.db2.gz MYASRLXJOYVEMM-KRWDZBQOSA-N 2 0 329.488 2.336 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCOc2ccccc2)CC1 ZINC001449359078 1094324179 /nfs/dbraw/zinc/32/41/79/1094324179.db2.gz ZVDYIRYFAPRZOI-QGZVFWFLSA-N 2 0 347.503 2.234 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCF)CC1)[NH+]1CCCC1 ZINC001449365570 1094330920 /nfs/dbraw/zinc/33/09/20/1094330920.db2.gz KDNSBXJDHRZWDG-RDJZCZTQSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C2CC2)CC[N@@H+]1C ZINC001441248590 1094641270 /nfs/dbraw/zinc/64/12/70/1094641270.db2.gz MQWMTZWDFGTRGI-UBHSHLNASA-N 2 0 335.414 2.154 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001441550723 1095279034 /nfs/dbraw/zinc/27/90/34/1095279034.db2.gz QMIXAYJJUQSGOE-GASCZTMLSA-N 2 0 325.403 2.042 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2conc2C)C1 ZINC001441574398 1095356158 /nfs/dbraw/zinc/35/61/58/1095356158.db2.gz ZUWRPZSMPGWZMR-GOEBONIOSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001441686399 1095667444 /nfs/dbraw/zinc/66/74/44/1095667444.db2.gz MKNRWEZETOCRIK-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CC=C(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001442210864 1096499915 /nfs/dbraw/zinc/49/99/15/1096499915.db2.gz SMGYEYSXSXUQEH-OLZOCXBDSA-N 2 0 346.302 2.418 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]Cc1ccon1 ZINC001442263421 1096567162 /nfs/dbraw/zinc/56/71/62/1096567162.db2.gz ZHJPMJVANXJGIU-CVEARBPZSA-N 2 0 348.491 2.314 10 0 EEAERP Cc1cnc([C@H](C)[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)cn1 ZINC001443102626 1097515166 /nfs/dbraw/zinc/51/51/66/1097515166.db2.gz PFCHBIZTGOMAIS-KRWDZBQOSA-N 2 0 347.507 2.160 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@H]1CCCCO1 ZINC001443956873 1098476412 /nfs/dbraw/zinc/47/64/12/1098476412.db2.gz BBGQKHMKXZUKIV-IAGOWNOFSA-N 2 0 339.524 2.304 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C2CC2)no1 ZINC001444034235 1098553144 /nfs/dbraw/zinc/55/31/44/1098553144.db2.gz KHJAVRMLBPMBRH-CRAIPNDOSA-N 2 0 348.491 2.411 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)o1 ZINC001444142315 1098682106 /nfs/dbraw/zinc/68/21/06/1098682106.db2.gz PTFYTPJZZSCEIT-GOSISDBHSA-N 2 0 336.480 2.006 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+][C@H](C)c2ncccn2)C1 ZINC001444159679 1098707884 /nfs/dbraw/zinc/70/78/84/1098707884.db2.gz NEEFFCDYNYJCAV-IAGOWNOFSA-N 2 0 347.507 2.096 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001444169235 1098720364 /nfs/dbraw/zinc/72/03/64/1098720364.db2.gz LJQYZYJOTQMXBC-DJIMGWMZSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001444391725 1098985037 /nfs/dbraw/zinc/98/50/37/1098985037.db2.gz RGCCZIFBCPPQLT-HZPDHXFCSA-N 2 0 335.467 2.318 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cncc(F)c1 ZINC001479847661 1099142511 /nfs/dbraw/zinc/14/25/11/1099142511.db2.gz RDMMCHYZLAMGDG-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1cncc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CCCC2)c1 ZINC001444534864 1099307385 /nfs/dbraw/zinc/30/73/85/1099307385.db2.gz IYLUUHSXSKAEJM-UHFFFAOYSA-N 2 0 332.492 2.249 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC12CC[NH+](C/C=C/Cl)CC2 ZINC001479981655 1099436406 /nfs/dbraw/zinc/43/64/06/1099436406.db2.gz QUYFEDIWONHNPQ-YKHJJTLOSA-N 2 0 345.890 2.390 10 0 EEAERP Cc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189642 1099787232 /nfs/dbraw/zinc/78/72/32/1099787232.db2.gz QBFXMBVVMNSFJZ-RBUKOAKNSA-N 2 0 344.503 2.155 10 0 EEAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480216129 1099828269 /nfs/dbraw/zinc/82/82/69/1099828269.db2.gz OUFSELAJYCGTLL-CALCHBBNSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480238753 1099869310 /nfs/dbraw/zinc/86/93/10/1099869310.db2.gz WSIHODWHOCVTEE-HDICACEKSA-N 2 0 330.476 2.003 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCC1CCOCC1 ZINC001480329890 1100086227 /nfs/dbraw/zinc/08/62/27/1100086227.db2.gz DLSZLTHQUMKCRF-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](CC(=O)NC1CCC([NH2+]Cc2ccon2)CC1)n1ccnc1 ZINC001480408215 1100223915 /nfs/dbraw/zinc/22/39/15/1100223915.db2.gz KCAWIGHFLPHPTJ-WLYUNCDWSA-N 2 0 331.420 2.039 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1)[NH+](C)C ZINC001480487247 1100297415 /nfs/dbraw/zinc/29/74/15/1100297415.db2.gz UEFWKLFYCFIQHY-IUODEOHRSA-N 2 0 341.883 2.283 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)s1 ZINC001480561629 1100403719 /nfs/dbraw/zinc/40/37/19/1100403719.db2.gz IEJMVQIWIAAPBL-CYBMUJFWSA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001496252281 1100821175 /nfs/dbraw/zinc/82/11/75/1100821175.db2.gz XSKURKOCCJKYFV-AEFFLSMTSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001446415625 1100825793 /nfs/dbraw/zinc/82/57/93/1100825793.db2.gz FJUBILQPDTXRGZ-IRXDYDNUSA-N 2 0 332.492 2.199 10 0 EEAERP CC(C)C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C[NH+]1CCCC1 ZINC001496298086 1100884579 /nfs/dbraw/zinc/88/45/79/1100884579.db2.gz YLRNWFOJQXYCPT-IAGOWNOFSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001446465449 1100888771 /nfs/dbraw/zinc/88/87/71/1100888771.db2.gz VFKGUABEQXXQFH-CABCVRRESA-N 2 0 333.467 2.385 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001496397054 1100990405 /nfs/dbraw/zinc/99/04/05/1100990405.db2.gz WDDZVGKFLNVWJJ-IXDOHACOSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496415372 1101008874 /nfs/dbraw/zinc/00/88/74/1101008874.db2.gz TWMQKECAVQPQEQ-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c(C)n1 ZINC001446549240 1101016914 /nfs/dbraw/zinc/01/69/14/1101016914.db2.gz CITHVPZLCOEVFN-LJQANCHMSA-N 2 0 332.492 2.119 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496432806 1101024690 /nfs/dbraw/zinc/02/46/90/1101024690.db2.gz ZOPOEIWTTOKPHS-IAGOWNOFSA-N 2 0 348.491 2.104 10 0 EEAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cnccc2C)C1)[NH+](C)C ZINC001495359771 1101074301 /nfs/dbraw/zinc/07/43/01/1101074301.db2.gz NGCANDVFYXPOKQ-PKOBYXMFSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)sn1 ZINC001496484480 1101076657 /nfs/dbraw/zinc/07/66/57/1101076657.db2.gz XAWNCMBRVCVDRF-XJKSGUPXSA-N 2 0 338.521 2.120 10 0 EEAERP CCC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCOCC1 ZINC001446712411 1101279108 /nfs/dbraw/zinc/27/91/08/1101279108.db2.gz HCUBHECKJSXTOR-UHFFFAOYSA-N 2 0 347.503 2.069 10 0 EEAERP CC(C)CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001446722254 1101292061 /nfs/dbraw/zinc/29/20/61/1101292061.db2.gz CPQPHMMIMFSBOX-CVEARBPZSA-N 2 0 345.478 2.448 10 0 EEAERP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001446722989 1101292623 /nfs/dbraw/zinc/29/26/23/1101292623.db2.gz DQEJLLQFHOCMQX-CABCVRRESA-N 2 0 333.467 2.448 10 0 EEAERP CN(CC[N@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496703956 1101304025 /nfs/dbraw/zinc/30/40/25/1101304025.db2.gz HHLSBQVTCJENKT-GOSISDBHSA-N 2 0 333.451 2.058 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001495720281 1101482730 /nfs/dbraw/zinc/48/27/30/1101482730.db2.gz OREZVSCTICQYDC-CYBMUJFWSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001495813550 1101631939 /nfs/dbraw/zinc/63/19/39/1101631939.db2.gz NCFYSMNWQWCKOE-CYBMUJFWSA-N 2 0 327.419 2.147 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccns1)[NH+]1CCCC1 ZINC001495816751 1101636108 /nfs/dbraw/zinc/63/61/08/1101636108.db2.gz VHNYHBIHEYHEHH-GDBMZVCRSA-N 2 0 338.521 2.105 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001496029546 1101953749 /nfs/dbraw/zinc/95/37/49/1101953749.db2.gz YNLNNMQYFHIRHE-QFBILLFUSA-N 2 0 347.503 2.159 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001497301226 1102279813 /nfs/dbraw/zinc/27/98/13/1102279813.db2.gz QYWBUJPBNPOPSE-WMZOPIPTSA-N 2 0 339.524 2.160 10 0 EEAERP CCC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001447410027 1102605978 /nfs/dbraw/zinc/60/59/78/1102605978.db2.gz CGIKQYSHIIWVCX-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN([C@@H](C)c3ccccc3)C2)C1 ZINC001447419428 1102619089 /nfs/dbraw/zinc/61/90/89/1102619089.db2.gz SETNEFJBELWDPM-WMZOPIPTSA-N 2 0 345.487 2.049 10 0 EEAERP O=C(NC/C=C\C[NH2+]CCCCC(F)(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC001497579319 1102693073 /nfs/dbraw/zinc/69/30/73/1102693073.db2.gz NDEUDYHZGFLKBM-JZIMQPMSSA-N 2 0 347.425 2.323 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001497601958 1102732608 /nfs/dbraw/zinc/73/26/08/1102732608.db2.gz VARMBXXMVPXFRT-JXCVUKRWSA-N 2 0 330.476 2.026 10 0 EEAERP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001447675492 1103097751 /nfs/dbraw/zinc/09/77/51/1103097751.db2.gz NJLPZYAYQSMHRQ-WMLDXEAASA-N 2 0 336.480 2.230 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497816183 1103141623 /nfs/dbraw/zinc/14/16/23/1103141623.db2.gz LVVFJFSBOQPXRW-QZTJIDSGSA-N 2 0 347.503 2.341 10 0 EEAERP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497816753 1103144143 /nfs/dbraw/zinc/14/41/43/1103144143.db2.gz BRTYOPOGIAUSNP-OCCSQVGLSA-N 2 0 335.414 2.155 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)c2sccc2C[NH+](C)C)o1 ZINC001497823130 1103153316 /nfs/dbraw/zinc/15/33/16/1103153316.db2.gz WRJPNTIJMYNUMB-LLVKDONJSA-N 2 0 336.461 2.014 10 0 EEAERP Cc1nc(C[NH2+]CC2CC(NC(=O)CC[NH+]3CCCCC3)C2)oc1C ZINC001447823809 1103394436 /nfs/dbraw/zinc/39/44/36/1103394436.db2.gz OIXVRQZUYLCPCB-UHFFFAOYSA-N 2 0 348.491 2.152 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1C ZINC001447872613 1103488228 /nfs/dbraw/zinc/48/82/28/1103488228.db2.gz SCWADCUMPVCZIR-JKSUJKDBSA-N 2 0 347.503 2.471 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001447892432 1103530570 /nfs/dbraw/zinc/53/05/70/1103530570.db2.gz BZWWFUMPYRDOMU-CABCVRRESA-N 2 0 332.492 2.023 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC001447908415 1103569644 /nfs/dbraw/zinc/56/96/44/1103569644.db2.gz AYAITKVGGIXJHW-NEPJUHHUSA-N 2 0 326.510 2.085 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2nc3ccccc3o2)C1 ZINC001494155988 1103615196 /nfs/dbraw/zinc/61/51/96/1103615196.db2.gz DOTNZFXBLMWGCC-OAHLLOKOSA-N 2 0 344.459 2.060 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCc1ccccc1 ZINC001448012540 1103796225 /nfs/dbraw/zinc/79/62/25/1103796225.db2.gz CVMRABVOUUINOM-YQVWRLOYSA-N 2 0 331.504 2.396 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C[C@H](OC)C2CCCC2)C1)[NH+](C)C ZINC001494286524 1103820973 /nfs/dbraw/zinc/82/09/73/1103820973.db2.gz FPTFIRWUWYPHJN-SQNIBIBYSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1cc(F)cc(F)c1 ZINC001448097232 1103997224 /nfs/dbraw/zinc/99/72/24/1103997224.db2.gz NXUXJTNACNQVMN-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCOCC1 ZINC001448104962 1104011215 /nfs/dbraw/zinc/01/12/15/1104011215.db2.gz SEXJZXZQVZOGMI-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP CCc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001448135955 1104081319 /nfs/dbraw/zinc/08/13/19/1104081319.db2.gz QGRGGNBVUPUBHR-KRWDZBQOSA-N 2 0 343.515 2.324 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cc2ccccc2o1 ZINC001448148685 1104112655 /nfs/dbraw/zinc/11/26/55/1104112655.db2.gz RAWWHZGLUPCXBE-OAHLLOKOSA-N 2 0 329.444 2.465 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cc(C)ns1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001448243249 1104235308 /nfs/dbraw/zinc/23/53/08/1104235308.db2.gz DITYYCGTAYRGCN-ZBFHGGJFSA-N 2 0 338.521 2.310 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001494666662 1104252463 /nfs/dbraw/zinc/25/24/63/1104252463.db2.gz ITYCPEUBZXUSFT-ILXRZTDVSA-N 2 0 329.435 2.049 10 0 EEAERP CC(C)OCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001448264592 1104277428 /nfs/dbraw/zinc/27/74/28/1104277428.db2.gz MBODXHFUHSOYBI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494853810 1104458295 /nfs/dbraw/zinc/45/82/95/1104458295.db2.gz HSFPMWGPTQGTDU-KRWDZBQOSA-N 2 0 341.540 2.312 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cncc(F)c1 ZINC001494990826 1104635043 /nfs/dbraw/zinc/63/50/43/1104635043.db2.gz WCBYKSUSHGNHQM-DLBZAZTESA-N 2 0 336.455 2.080 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001480655133 1106827196 /nfs/dbraw/zinc/82/71/96/1106827196.db2.gz YICNOIJOXYRJLZ-DOOVCASASA-N 2 0 334.291 2.228 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)C[C@H]2CCCCO2)C1 ZINC001480738567 1107018861 /nfs/dbraw/zinc/01/88/61/1107018861.db2.gz GUPIKUYCPXEBLF-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ncc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2ncc[nH]2)s1 ZINC001480831386 1107223942 /nfs/dbraw/zinc/22/39/42/1107223942.db2.gz BTKAFBYDNTVYRJ-AWEZNQCLSA-N 2 0 347.488 2.278 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001493110457 1107513928 /nfs/dbraw/zinc/51/39/28/1107513928.db2.gz KAURVQVMOJEOON-SJORKVTESA-N 2 0 348.491 2.246 10 0 EEAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498613462 1107810823 /nfs/dbraw/zinc/81/08/23/1107810823.db2.gz RBNQVOYMZFTHGM-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[C@H](C)n2ccnc2)o1 ZINC001498620164 1107824471 /nfs/dbraw/zinc/82/44/71/1107824471.db2.gz HUXXQRPNLDJXPQ-DZGCQCFKSA-N 2 0 333.436 2.330 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)C1CC1 ZINC001498816647 1108158311 /nfs/dbraw/zinc/15/83/11/1108158311.db2.gz IDCLJKGNZKZBLT-OXJNMPFZSA-N 2 0 343.515 2.228 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493550196 1108299406 /nfs/dbraw/zinc/29/94/06/1108299406.db2.gz 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C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001472115441 1110543823 /nfs/dbraw/zinc/54/38/23/1110543823.db2.gz KDJRXLAPRNOSJX-FUHWJXTLSA-N 2 0 347.478 2.496 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001479340830 1110683404 /nfs/dbraw/zinc/68/34/04/1110683404.db2.gz LARMTTCDSOGXAR-HDICACEKSA-N 2 0 333.451 2.236 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001479455012 1110697407 /nfs/dbraw/zinc/69/74/07/1110697407.db2.gz UYLAVKOLPKWPIF-JKSUJKDBSA-N 2 0 348.491 2.150 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001499183620 1112166750 /nfs/dbraw/zinc/16/67/50/1112166750.db2.gz GGKAAPYYXHSMNN-KRWDZBQOSA-N 2 0 345.487 2.015 10 0 EEAERP CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2F)CC1)[NH+]1CCCC1 ZINC001499312176 1112229058 /nfs/dbraw/zinc/22/90/58/1112229058.db2.gz SFNNUNLOBSPWFW-UHFFFAOYSA-N 2 0 333.451 2.439 10 0 EEAERP CC(C)c1ocnc1CNC1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499461725 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161011205 /nfs/dbraw/zinc/01/12/05/161011205.db2.gz NMLWICBBPOCPCH-GDBMZVCRSA-N 2 0 327.538 2.050 10 0 EEAERP CC(C)[C@H](C)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000352437227 162135660 /nfs/dbraw/zinc/13/56/60/162135660.db2.gz BPPXAXDKVZFEIR-QGZVFWFLSA-N 2 0 347.507 2.185 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000352551138 162183334 /nfs/dbraw/zinc/18/33/34/162183334.db2.gz VDNCMBSGMAOTMR-SFHVURJKSA-N 2 0 342.487 2.414 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000376784901 167392348 /nfs/dbraw/zinc/39/23/48/167392348.db2.gz RBRWZLJOXPQIPA-RDJZCZTQSA-N 2 0 342.487 2.348 10 0 EEAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000236909034 287717531 /nfs/dbraw/zinc/71/75/31/287717531.db2.gz RMSFGJKHPPMKIP-LESCRADOSA-N 2 0 345.487 2.464 10 0 EEAERP C[NH+](C)CCCOc1cnccc1CNCc1cnn2ccccc12 ZINC000288434556 275058008 /nfs/dbraw/zinc/05/80/08/275058008.db2.gz BVMXUHHZNHIQLC-UHFFFAOYSA-N 2 0 339.443 2.350 10 0 EEAERP Cc1cc2ncn(C[C@H](O)C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063886 275370329 /nfs/dbraw/zinc/37/03/29/275370329.db2.gz CSZFVHONUBNSIT-XLIONFOSSA-N 2 0 342.487 2.042 10 0 EEAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000292198325 275392532 /nfs/dbraw/zinc/39/25/32/275392532.db2.gz SADWCZFUSASWCR-GOSISDBHSA-N 2 0 335.879 2.374 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC000372213452 276372897 /nfs/dbraw/zinc/37/28/97/276372897.db2.gz WKVOHFAYEMWPKM-SQNIBIBYSA-N 2 0 348.466 2.354 10 0 EEAERP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414685056 278961452 /nfs/dbraw/zinc/96/14/52/278961452.db2.gz XQPHEJVOJGXOOS-SJLPKXTDSA-N 2 0 329.488 2.403 10 0 EEAERP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000270593280 279286856 /nfs/dbraw/zinc/28/68/56/279286856.db2.gz YNHDVPCTHUAQIJ-ROUUACIJSA-N 2 0 330.476 2.169 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000173895273 288476434 /nfs/dbraw/zinc/47/64/34/288476434.db2.gz IERACQKRLQIRRA-QRVBRYPASA-N 2 0 348.535 2.400 10 0 EEAERP c1n[nH]cc1CC[NH+]1CCCC2(CCC[N@@H+](CCc3cn[nH]c3)C2)C1 ZINC000297575052 294284562 /nfs/dbraw/zinc/28/45/62/294284562.db2.gz ICCXFKXRJRDPRF-UHFFFAOYSA-N 2 0 342.491 2.096 10 0 EEAERP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000416970566 313376113 /nfs/dbraw/zinc/37/61/13/313376113.db2.gz FFRGVUSKLPKDEV-JKSUJKDBSA-N 2 0 332.492 2.453 10 0 EEAERP CC(C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000417014121 313394177 /nfs/dbraw/zinc/39/41/77/313394177.db2.gz ZMPULUQVRDTDGU-ZWKOTPCHSA-N 2 0 336.524 2.279 10 0 EEAERP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000422536029 314276891 /nfs/dbraw/zinc/27/68/91/314276891.db2.gz DQXXFNIKXQEBFX-UHFFFAOYSA-N 2 0 327.472 2.197 10 0 EEAERP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000529668966 317625588 /nfs/dbraw/zinc/62/55/88/317625588.db2.gz JYQJVPBAZAORQX-LJQANCHMSA-N 2 0 336.439 2.467 10 0 EEAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715484 318168028 /nfs/dbraw/zinc/16/80/28/318168028.db2.gz OACQUSDHIQNLQE-ZACQAIPSSA-N 2 0 332.492 2.391 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000563506138 319016656 /nfs/dbraw/zinc/01/66/56/319016656.db2.gz PBFFMOXQBYJRRE-CQSZACIVSA-N 2 0 332.448 2.165 10 0 EEAERP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000563593440 319027016 /nfs/dbraw/zinc/02/70/16/319027016.db2.gz VIVWKKFFVGTWSV-GJZGRUSLSA-N 2 0 344.450 2.080 10 0 EEAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000564823200 319114329 /nfs/dbraw/zinc/11/43/29/319114329.db2.gz DIEMHOFXELWEGT-SXLOBPIMSA-N 2 0 331.504 2.255 10 0 EEAERP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000564931311 319129870 /nfs/dbraw/zinc/12/98/70/319129870.db2.gz FSYJKBRKKDOJCI-OAGGEKHMSA-N 2 0 325.403 2.342 10 0 EEAERP CN(c1ccccc1CNC1CC([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000565215439 319163392 /nfs/dbraw/zinc/16/33/92/319163392.db2.gz ASZJMYFFPBFKPM-UHFFFAOYSA-N 2 0 330.520 2.399 10 0 EEAERP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)n(C)n1 ZINC000565475081 319185620 /nfs/dbraw/zinc/18/56/20/319185620.db2.gz OHSMZRFGKDMSAP-DOTOQJQBSA-N 2 0 342.491 2.210 10 0 EEAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565533935 319190953 /nfs/dbraw/zinc/19/09/53/319190953.db2.gz PUHAZQIMBAVNJH-QUCCMNQESA-N 2 0 340.471 2.425 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC[NH3+])Cc1ccccc1 ZINC000566402563 319281752 /nfs/dbraw/zinc/28/17/52/319281752.db2.gz BQYKFTCCYVCDKZ-SFHVURJKSA-N 2 0 325.456 2.091 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000572118373 319817200 /nfs/dbraw/zinc/81/72/00/319817200.db2.gz ARWRYVPMKYPGBU-IFXJQAMLSA-N 2 0 338.455 2.474 10 0 EEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000574784008 320057566 /nfs/dbraw/zinc/05/75/66/320057566.db2.gz JIIAPZQIDVKQBE-IEBWSBKVSA-N 2 0 336.524 2.284 10 0 EEAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000576966210 320221235 /nfs/dbraw/zinc/22/12/35/320221235.db2.gz OBDKOAAIOOYDCY-QGZVFWFLSA-N 2 0 336.524 2.411 10 0 EEAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288086 465093810 /nfs/dbraw/zinc/09/38/10/465093810.db2.gz MBVVWIMKUPGFQX-PXNSSMCTSA-N 2 0 331.504 2.243 10 0 EEAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000341454764 465176722 /nfs/dbraw/zinc/17/67/22/465176722.db2.gz CSZXXXNTSRKJKS-KSZLIROESA-N 2 0 334.508 2.273 10 0 EEAERP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000568202562 468295603 /nfs/dbraw/zinc/29/56/03/468295603.db2.gz QJDJSNCESXMCTO-APWZRJJASA-N 2 0 345.487 2.290 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000063407551 462643197 /nfs/dbraw/zinc/64/31/97/462643197.db2.gz HXIVDUUDTANJCK-SFHVURJKSA-N 2 0 336.524 2.425 10 0 EEAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000521471832 468316654 /nfs/dbraw/zinc/31/66/54/468316654.db2.gz UBZXSDNZNQEHDT-RTBURBONSA-N 2 0 344.503 2.463 10 0 EEAERP O=c1c2ccccc2ncn1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000117338934 462800545 /nfs/dbraw/zinc/80/05/45/462800545.db2.gz WAJDIGHKKGPAAK-UHFFFAOYSA-N 2 0 340.471 2.204 10 0 EEAERP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000047970294 462844263 /nfs/dbraw/zinc/84/42/63/462844263.db2.gz HSMILESBCNRJOL-UHFFFAOYSA-N 2 0 341.499 2.379 10 0 EEAERP Cc1ccc2ncc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)n2c1 ZINC000121155180 463089193 /nfs/dbraw/zinc/08/91/93/463089193.db2.gz UTKOHTMZYKUNEO-MRXNPFEDSA-N 2 0 330.476 2.167 10 0 EEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000157230189 463110138 /nfs/dbraw/zinc/11/01/38/463110138.db2.gz REEYNPVJCJSDHB-YJBOKZPZSA-N 2 0 332.492 2.276 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553162997 468352000 /nfs/dbraw/zinc/35/20/00/468352000.db2.gz BRLGXMGQEBXWPI-PKOBYXMFSA-N 2 0 329.488 2.309 10 0 EEAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccs1 ZINC000105064469 463435354 /nfs/dbraw/zinc/43/53/54/463435354.db2.gz IALCVSPMQLIQFS-CABCVRRESA-N 2 0 336.505 2.231 10 0 EEAERP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC12CCOCC2 ZINC000568627809 468366192 /nfs/dbraw/zinc/36/61/92/468366192.db2.gz HKCDHXYFMRHXDM-HNNXBMFYSA-N 2 0 344.484 2.392 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085363060 463646400 /nfs/dbraw/zinc/64/64/00/463646400.db2.gz HWFFCOBZLBFJOI-HNNXBMFYSA-N 2 0 326.529 2.384 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000170829521 463715775 /nfs/dbraw/zinc/71/57/75/463715775.db2.gz GKRFJPPQVAFRHQ-CVEARBPZSA-N 2 0 338.521 2.477 10 0 EEAERP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261961648 463911155 /nfs/dbraw/zinc/91/11/55/463911155.db2.gz PRMGFPACXHQTHI-OTWHNJEPSA-N 2 0 326.444 2.119 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000263830931 464209232 /nfs/dbraw/zinc/20/92/32/464209232.db2.gz AVSBQCRLUNURLF-OAHLLOKOSA-N 2 0 329.444 2.137 10 0 EEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000263879195 464225093 /nfs/dbraw/zinc/22/50/93/464225093.db2.gz PIMHARPKTOPJAV-OAHLLOKOSA-N 2 0 331.460 2.383 10 0 EEAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768508 464335836 /nfs/dbraw/zinc/33/58/36/464335836.db2.gz KDNIRNQHHNINGO-MJGOQNOKSA-N 2 0 325.460 2.243 10 0 EEAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1C ZINC000246113854 464546152 /nfs/dbraw/zinc/54/61/52/464546152.db2.gz HZGKKZQMVKAWBO-OWCLPIDISA-N 2 0 326.529 2.477 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000246489932 464591671 /nfs/dbraw/zinc/59/16/71/464591671.db2.gz MEZPAURLDNZGIV-AEFFLSMTSA-N 2 0 327.472 2.003 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCOc3ccccc32)[C@H](C)C1 ZINC000348316739 465545940 /nfs/dbraw/zinc/54/59/40/465545940.db2.gz GTZRIEJYHYMFJT-IAGOWNOFSA-N 2 0 345.487 2.464 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000340181215 465850349 /nfs/dbraw/zinc/85/03/49/465850349.db2.gz GAPQSJGPURRHRM-ZWKOTPCHSA-N 2 0 330.476 2.217 10 0 EEAERP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000597174741 468471181 /nfs/dbraw/zinc/47/11/81/468471181.db2.gz BINICDVQQFCUPM-UHFFFAOYSA-N 2 0 346.471 2.454 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)[C@H](C)C1 ZINC000361967236 466444953 /nfs/dbraw/zinc/44/49/53/466444953.db2.gz JEILURRRXJVMAL-RLLQIKCJSA-N 2 0 334.504 2.489 10 0 EEAERP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367619997 466453535 /nfs/dbraw/zinc/45/35/35/466453535.db2.gz XNQPMKOMESEMQA-AKHDSKFASA-N 2 0 334.460 2.200 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000363564929 466481828 /nfs/dbraw/zinc/48/18/28/466481828.db2.gz ZKAHHNHDIILROJ-GOSISDBHSA-N 2 0 334.508 2.154 10 0 EEAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000310550654 466515703 /nfs/dbraw/zinc/51/57/03/466515703.db2.gz UJIAOTXRJDBJKZ-PKOBYXMFSA-N 2 0 329.488 2.484 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422885250 466687006 /nfs/dbraw/zinc/68/70/06/466687006.db2.gz GPBSRRLWHCKJKT-ULQDDVLXSA-N 2 0 339.524 2.160 10 0 EEAERP COc1cc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000423391925 466736375 /nfs/dbraw/zinc/73/63/75/466736375.db2.gz PUHZOHBYFLXBCC-XHDPSFHLSA-N 2 0 349.372 2.321 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423390324 466736556 /nfs/dbraw/zinc/73/65/56/466736556.db2.gz KAHSZHOIHBWUMJ-WWGRRREGSA-N 2 0 325.478 2.097 10 0 EEAERP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423469025 466753708 /nfs/dbraw/zinc/75/37/08/466753708.db2.gz CCSXLOXRJHUNLV-JSGCOSHPSA-N 2 0 342.281 2.121 10 0 EEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417105139 466781349 /nfs/dbraw/zinc/78/13/49/466781349.db2.gz GCNZEGQRPAWIBR-QRVBRYPASA-N 2 0 342.487 2.187 10 0 EEAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417194831 466799156 /nfs/dbraw/zinc/79/91/56/466799156.db2.gz NCVJIJJYGNXHGQ-ZWKOTPCHSA-N 2 0 334.508 2.174 10 0 EEAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000417852693 466957501 /nfs/dbraw/zinc/95/75/01/466957501.db2.gz HHWAMHZMHNFQLG-JCKWVBRZSA-N 2 0 330.476 2.173 10 0 EEAERP CN(C(=O)NCCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418288193 467088710 /nfs/dbraw/zinc/08/87/10/467088710.db2.gz VTWBJPSVAQWDNS-SFHVURJKSA-N 2 0 330.476 2.044 10 0 EEAERP [NH3+]C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000418359390 467098778 /nfs/dbraw/zinc/09/87/78/467098778.db2.gz JCWMNRAEXQSKSK-SFHVURJKSA-N 2 0 336.524 2.411 10 0 EEAERP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418432867 467110174 /nfs/dbraw/zinc/11/01/74/467110174.db2.gz CJQIEQDUYNDCKE-BBWFWOEESA-N 2 0 336.455 2.025 10 0 EEAERP CC1(C)CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000382721162 467378227 /nfs/dbraw/zinc/37/82/27/467378227.db2.gz MOJIAGZYYHVUHS-ZWKOTPCHSA-N 2 0 329.488 2.484 10 0 EEAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOCCOc3ccccc3)CC2)C1 ZINC000420385797 467389348 /nfs/dbraw/zinc/38/93/48/467389348.db2.gz IBOIMWFEYLUXTJ-UYAOXDASSA-N 2 0 348.487 2.300 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969586 467404528 /nfs/dbraw/zinc/40/45/28/467404528.db2.gz ZFJZPICEHHDUGF-OXJNMPFZSA-N 2 0 337.467 2.438 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCc2cn(C)cn2)C1 ZINC000457733858 467691555 /nfs/dbraw/zinc/69/15/55/467691555.db2.gz KOHBPSOKFADGKC-HOTGVXAUSA-N 2 0 335.496 2.020 10 0 EEAERP C[NH+](C)CCOc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1F ZINC000458303687 467806028 /nfs/dbraw/zinc/80/60/28/467806028.db2.gz YHPURQPRVANZOC-UHFFFAOYSA-N 2 0 337.439 2.437 10 0 EEAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000529320151 467845569 /nfs/dbraw/zinc/84/55/69/467845569.db2.gz KTGQLLJFALZWDI-FGTMMUONSA-N 2 0 330.476 2.071 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000459094571 467948862 /nfs/dbraw/zinc/94/88/62/467948862.db2.gz WZRQCJXCYDOGAN-KSZLIROESA-N 2 0 336.524 2.090 10 0 EEAERP c1cc(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc2c1OCC2 ZINC000530239107 467967133 /nfs/dbraw/zinc/96/71/33/467967133.db2.gz CRYCXMFNLLTZRB-IBGZPJMESA-N 2 0 330.472 2.255 10 0 EEAERP C[C@@H]1[C@H](CO)CC[NH+]1Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1 ZINC000488741369 468100737 /nfs/dbraw/zinc/10/07/37/468100737.db2.gz ZFUYZTTZBVPNKG-JSJNYSNDSA-N 2 0 332.488 2.092 10 0 EEAERP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000578759642 468254250 /nfs/dbraw/zinc/25/42/50/468254250.db2.gz BIAXINODDLIGKQ-NKELODKYSA-N 2 0 348.487 2.339 10 0 EEAERP C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)CC1 ZINC000556792573 468575086 /nfs/dbraw/zinc/57/50/86/468575086.db2.gz JXCVNSRUROYJEB-UHFFFAOYSA-N 2 0 338.455 2.145 10 0 EEAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000582962525 468623064 /nfs/dbraw/zinc/62/30/64/468623064.db2.gz HIIIXBIBGSPFTG-MSOLQXFVSA-N 2 0 344.503 2.375 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479173 468707735 /nfs/dbraw/zinc/70/77/35/468707735.db2.gz TVZIVMYJCATBDL-NVXWUHKLSA-N 2 0 344.459 2.189 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594963451 468731755 /nfs/dbraw/zinc/73/17/55/468731755.db2.gz VOVNLLJUOALBJJ-QDOIMOTRSA-N 2 0 332.473 2.355 10 0 EEAERP CN(c1ccccc1C[NH2+]CCCN1CCC1)C1CC[NH+](C)CC1 ZINC000583703995 468745188 /nfs/dbraw/zinc/74/51/88/468745188.db2.gz QYJRWJHBEGVFLT-UHFFFAOYSA-N 2 0 330.520 2.402 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H]1c1ccccc1 ZINC000571538485 468804454 /nfs/dbraw/zinc/80/44/54/468804454.db2.gz AGBUPHBVDQSXAG-XWTMOSNGSA-N 2 0 330.476 2.249 10 0 EEAERP COC(=O)Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169969 469184085 /nfs/dbraw/zinc/18/40/85/469184085.db2.gz MKYDNXXCTYWUFK-NVXWUHKLSA-N 2 0 329.444 2.250 10 0 EEAERP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615621538 469285995 /nfs/dbraw/zinc/28/59/95/469285995.db2.gz YIZUCSSGBQRJEG-FQEVSTJZSA-N 2 0 345.487 2.185 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000615761563 469310305 /nfs/dbraw/zinc/31/03/05/469310305.db2.gz GNYNOIRIWMCKIH-LBPRGKRZSA-N 2 0 325.478 2.182 10 0 EEAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625940498 469441835 /nfs/dbraw/zinc/44/18/35/469441835.db2.gz CSFFSFOUNRDKGI-CQSZACIVSA-N 2 0 334.464 2.411 10 0 EEAERP CCN(C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000617556012 469725620 /nfs/dbraw/zinc/72/56/20/469725620.db2.gz HXIKDBWMBSKPMV-MOPGFXCFSA-N 2 0 329.488 2.451 10 0 EEAERP Cc1cn2c(n1)C[C@H](C(=O)N1CCN(C)C[C@@H]1c1ccccc1)CC2 ZINC000623671020 469728810 /nfs/dbraw/zinc/72/88/10/469728810.db2.gz PMUHFWNVKHGVJH-QZTJIDSGSA-N 2 0 338.455 2.269 10 0 EEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626947797 469765632 /nfs/dbraw/zinc/76/56/32/469765632.db2.gz YKHKDGOEVZREMS-LZQZEXGQSA-N 2 0 336.524 2.138 10 0 EEAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627001611 469785249 /nfs/dbraw/zinc/78/52/49/469785249.db2.gz JUAUGHJYRFIVFK-IIDMSEBBSA-N 2 0 345.491 2.047 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000627169089 469832891 /nfs/dbraw/zinc/83/28/91/469832891.db2.gz ODXXZVDQZJYOLR-DLBZAZTESA-N 2 0 336.455 2.039 10 0 EEAERP c1ncn2c1c(N1CCC[C@@H]1CN1CCOCC1)nc1ccccc12 ZINC000624117098 469846216 /nfs/dbraw/zinc/84/62/16/469846216.db2.gz GQRMCMUZBFHILC-OAHLLOKOSA-N 2 0 337.427 2.184 10 0 EEAERP CC[C@@H]1CN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000620903570 469944679 /nfs/dbraw/zinc/94/46/79/469944679.db2.gz VSYOCJBHLJNNCJ-FUHWJXTLSA-N 2 0 344.503 2.041 10 0 EEAERP CC[C@H](C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[NH+](CC)CC ZINC000620915442 469950142 /nfs/dbraw/zinc/95/01/42/469950142.db2.gz KRZLJSDFZWYNQE-IAGOWNOFSA-N 2 0 339.524 2.209 10 0 EEAERP COCCN1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196825 470090874 /nfs/dbraw/zinc/09/08/74/470090874.db2.gz VOIPLQDOEVBHTH-IHPCNDPISA-N 2 0 331.504 2.065 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886123 470189553 /nfs/dbraw/zinc/18/95/53/470189553.db2.gz GOMKOILDQURPSQ-MAUKXSAKSA-N 2 0 341.455 2.137 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cn2)CC1 ZINC000634678379 470279577 /nfs/dbraw/zinc/27/95/77/470279577.db2.gz QWAALMJVHFSJAY-QGZVFWFLSA-N 2 0 332.492 2.271 10 0 EEAERP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCCC[C@H]2[C@@H]2CCOC2)[nH+]1 ZINC000635007079 470399741 /nfs/dbraw/zinc/39/97/41/470399741.db2.gz DSWNGWOFCVOKHJ-BPQIPLTHSA-N 2 0 330.476 2.498 10 0 EEAERP c1ccc(C(C[NH+]2CCC3(COC3)C2)C[N@@H+]2CCC3(COC3)C2)cc1 ZINC000639863830 470701307 /nfs/dbraw/zinc/70/13/07/470701307.db2.gz PAFYUAQKCIRWMF-UHFFFAOYSA-N 2 0 342.483 2.215 10 0 EEAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764574 470961238 /nfs/dbraw/zinc/96/12/38/470961238.db2.gz DLZHBXNAGLKUNO-BMGDILEWSA-N 2 0 325.456 2.311 10 0 EEAERP Cn1nccc1-c1ccccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644882940 471079177 /nfs/dbraw/zinc/07/91/77/471079177.db2.gz GYDHXYMPYFOQQX-UHFFFAOYSA-N 2 0 341.503 2.203 10 0 EEAERP CC(C)[C@@H]1CN(C(=O)CCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638511457 471126962 /nfs/dbraw/zinc/12/69/62/471126962.db2.gz AITDWJWDCNELBO-IBGZPJMESA-N 2 0 329.488 2.355 10 0 EEAERP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000654705535 471137623 /nfs/dbraw/zinc/13/76/23/471137623.db2.gz KXJIAEHNRCZKIL-AWEZNQCLSA-N 2 0 348.482 2.335 10 0 EEAERP COc1cc2c(cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)O[C@H](C)C2 ZINC000657574209 471173709 /nfs/dbraw/zinc/17/37/09/471173709.db2.gz UAKJWVDVGFXLEV-JKSUJKDBSA-N 2 0 349.519 2.380 10 0 EEAERP COC[C@@H](CC1CCOCC1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657918189 471248321 /nfs/dbraw/zinc/24/83/21/471248321.db2.gz BAMXOFCVNMNFTK-ZIFCJYIRSA-N 2 0 342.524 2.297 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccccc1C[NH2+]C ZINC000652292259 471268262 /nfs/dbraw/zinc/26/82/62/471268262.db2.gz GGCTVUCXGXIUJV-UHFFFAOYSA-N 2 0 326.444 2.125 10 0 EEAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660448680 471347125 /nfs/dbraw/zinc/34/71/25/471347125.db2.gz HEMXEFCPFMIPQP-YJBOKZPZSA-N 2 0 330.476 2.025 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000663449161 471382998 /nfs/dbraw/zinc/38/29/98/471382998.db2.gz BUZOLXHAIAQZOK-HNNXBMFYSA-N 2 0 336.505 2.088 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663628821 471453061 /nfs/dbraw/zinc/45/30/61/471453061.db2.gz OOVNPXWRYVYROB-CVEARBPZSA-N 2 0 338.521 2.477 10 0 EEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCn3ccnc32)(N2CCCCC2)CC1 ZINC000655720037 471456066 /nfs/dbraw/zinc/45/60/66/471456066.db2.gz NXSOHEMEMWXKKF-QGZVFWFLSA-N 2 0 331.508 2.258 10 0 EEAERP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659033109 471476766 /nfs/dbraw/zinc/47/67/66/471476766.db2.gz IARHKSGVGGGORI-GOSISDBHSA-N 2 0 346.475 2.342 10 0 EEAERP CCN(C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000663698225 471481524 /nfs/dbraw/zinc/48/15/24/471481524.db2.gz ULLQZXZEMAOKGD-APWZRJJASA-N 2 0 344.503 2.169 10 0 EEAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000663775297 471512548 /nfs/dbraw/zinc/51/25/48/471512548.db2.gz WKYSQTKHQQLJGQ-OALUTQOASA-N 2 0 344.503 2.039 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000660903031 471543872 /nfs/dbraw/zinc/54/38/72/471543872.db2.gz MXRWNFLNAOHACF-UFYCRDLUSA-N 2 0 334.504 2.146 10 0 EEAERP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556802 471552081 /nfs/dbraw/zinc/55/20/81/471552081.db2.gz GIKIJYGWDZYEQF-RXHOYGRGSA-N 2 0 342.487 2.101 10 0 EEAERP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655976114 471563938 /nfs/dbraw/zinc/56/39/38/471563938.db2.gz ZGBQNQKNNLZYMW-MOPGFXCFSA-N 2 0 344.503 2.216 10 0 EEAERP CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659292098 471570159 /nfs/dbraw/zinc/57/01/59/471570159.db2.gz BJQPMQBAJQPFBD-FUHWJXTLSA-N 2 0 327.472 2.374 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2CN[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000656195179 471629755 /nfs/dbraw/zinc/62/97/55/471629755.db2.gz WJVGYNMDDDSKTK-MRXNPFEDSA-N 2 0 344.425 2.198 10 0 EEAERP Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000656219006 471638614 /nfs/dbraw/zinc/63/86/14/471638614.db2.gz JDHYKTYYENJFCY-QWHCGFSZSA-N 2 0 349.381 2.400 10 0 EEAERP C[C@@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000659467493 471642733 /nfs/dbraw/zinc/64/27/33/471642733.db2.gz NOHBNAYPHWZOAU-WBVHZDCISA-N 2 0 338.540 2.384 10 0 EEAERP c1c(C[C@@H]2CCC[NH2+]C2)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656455425 471722852 /nfs/dbraw/zinc/72/28/52/471722852.db2.gz GVADZSUBEFOZHC-HKUYNNGSSA-N 2 0 325.460 2.267 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000661406188 471747456 /nfs/dbraw/zinc/74/74/56/471747456.db2.gz IVKVMFXFWZZKBO-QGZVFWFLSA-N 2 0 336.524 2.280 10 0 EEAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664540005 471787499 /nfs/dbraw/zinc/78/74/99/471787499.db2.gz IASLATAAVAYEKW-KURKYZTESA-N 2 0 330.476 2.167 10 0 EEAERP CCN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664782173 471859775 /nfs/dbraw/zinc/85/97/75/471859775.db2.gz IZAHDTBSYNJWCA-OALUTQOASA-N 2 0 344.503 2.244 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654397083 471942253 /nfs/dbraw/zinc/94/22/53/471942253.db2.gz UWCXWHFXWSYZIF-WNKDZCFJSA-N 2 0 338.540 2.382 10 0 EEAERP [NH3+][C@@H]1C[C@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000665241013 471977075 /nfs/dbraw/zinc/97/70/75/471977075.db2.gz XWNCGLCPWHDNES-UIFIKXQLSA-N 2 0 337.467 2.488 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000665285409 471990065 /nfs/dbraw/zinc/99/00/65/471990065.db2.gz MDMDJIZZJROKJG-GOSISDBHSA-N 2 0 345.487 2.263 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000665288904 471991223 /nfs/dbraw/zinc/99/12/23/471991223.db2.gz AMFMKWRARWAXMI-AWEZNQCLSA-N 2 0 327.538 2.098 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000662493459 472127375 /nfs/dbraw/zinc/12/73/75/472127375.db2.gz LYYMTBVHABVWTB-ABHNRTSZSA-N 2 0 339.524 2.098 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)c1cccc(F)c1 ZINC000662664443 472194149 /nfs/dbraw/zinc/19/41/49/472194149.db2.gz XLRNNHPMNKOXLJ-CYBMUJFWSA-N 2 0 334.395 2.040 10 0 EEAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681463 472203565 /nfs/dbraw/zinc/20/35/65/472203565.db2.gz FMLOOWQLSYGRMW-UHFFFAOYSA-N 2 0 327.472 2.226 10 0 EEAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662746770 472232894 /nfs/dbraw/zinc/23/28/94/472232894.db2.gz NXLADBTZFBEFFS-GOSISDBHSA-N 2 0 327.472 2.394 10 0 EEAERP Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657486739 485565530 /nfs/dbraw/zinc/56/55/30/485565530.db2.gz IWIZVCQQPXYMFJ-RHSMWYFYSA-N 2 0 338.415 2.011 10 0 EEAERP CC(C)[NH+]1CCC(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000658141527 485570453 /nfs/dbraw/zinc/57/04/53/485570453.db2.gz CBKUNCNKAGZLAV-FQEVSTJZSA-N 2 0 331.504 2.216 10 0 EEAERP C[C@@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045077 485571949 /nfs/dbraw/zinc/57/19/49/485571949.db2.gz SEFLTIPXYPFOBY-NQIIRXRSSA-N 2 0 345.531 2.333 10 0 EEAERP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000684378066 485863951 /nfs/dbraw/zinc/86/39/51/485863951.db2.gz WWUINXWJTJUJRP-ROUUACIJSA-N 2 0 333.476 2.025 10 0 EEAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn3cccc(F)c3n2)C[C@H](C)O1 ZINC000677320383 486413465 /nfs/dbraw/zinc/41/34/65/486413465.db2.gz XTIHLEIBCYPXTI-GJZGRUSLSA-N 2 0 334.439 2.452 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415933167 533734397 /nfs/dbraw/zinc/73/43/97/533734397.db2.gz FJRZMUHUSSOIRI-HUUCEWRRSA-N 2 0 334.464 2.409 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000190061432 528438995 /nfs/dbraw/zinc/43/89/95/528438995.db2.gz PPAVNMFXBDJRGE-QZTJIDSGSA-N 2 0 332.492 2.415 10 0 EEAERP CC(C)n1cc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000926679741 681263594 /nfs/dbraw/zinc/26/35/94/681263594.db2.gz ZSKLQOJSQOBACT-HNNXBMFYSA-N 2 0 335.496 2.401 10 0 EEAERP [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000895116756 683954957 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339.524 2.068 10 0 EEAERP Cc1nccn1CC(=O)NC[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC001266494890 1176637103 /nfs/dbraw/zinc/63/71/03/1176637103.db2.gz CFFCBDPJXHYWAI-HNNXBMFYSA-N 2 0 347.850 2.021 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001670456748 1176797904 /nfs/dbraw/zinc/79/79/04/1176797904.db2.gz NKQWQPNUGQWBDO-RBUKOAKNSA-N 2 0 329.488 2.116 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)s1 ZINC001266911759 1177784728 /nfs/dbraw/zinc/78/47/28/1177784728.db2.gz SVCLDHSSBUZFBL-UHFFFAOYSA-N 2 0 338.521 2.040 10 0 EEAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001691263305 1177788855 /nfs/dbraw/zinc/78/88/55/1177788855.db2.gz MURUEVPJNSSNAS-JKSUJKDBSA-N 2 0 325.472 2.097 10 0 EEAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001671308960 1178053074 /nfs/dbraw/zinc/05/30/74/1178053074.db2.gz UQYJBILOYGPRPE-UONOGXRCSA-N 2 0 335.414 2.394 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CC[N@@H+]1C ZINC001267055261 1178161536 /nfs/dbraw/zinc/16/15/36/1178161536.db2.gz IHMOBOAHNPSLMB-ULQDDVLXSA-N 2 0 349.544 2.459 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CC[C@@H]2CCOC2)C1 ZINC001267113033 1178271354 /nfs/dbraw/zinc/27/13/54/1178271354.db2.gz BZDPAAQTKYNRRB-QZTJIDSGSA-N 2 0 339.524 2.068 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCF ZINC001691439442 1178584556 /nfs/dbraw/zinc/58/45/56/1178584556.db2.gz ZBWQXPKJZYNWRL-FJIDUMEYSA-N 2 0 339.499 2.247 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001267296537 1178702719 /nfs/dbraw/zinc/70/27/19/1178702719.db2.gz PKZKVJSCGPMYAD-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1cnccc1C ZINC001480982810 1179421698 /nfs/dbraw/zinc/42/16/98/1179421698.db2.gz HMJSMYUYOPEMIJ-OALUTQOASA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)Cc1cccnc1C ZINC001480982339 1179421734 /nfs/dbraw/zinc/42/17/34/1179421734.db2.gz RLERDYQACBRJIX-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC001481044886 1179623320 /nfs/dbraw/zinc/62/33/20/1179623320.db2.gz UQHVOFQOZNCYAK-ZBFHGGJFSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001481125097 1179826540 /nfs/dbraw/zinc/82/65/40/1179826540.db2.gz BBUQXAZQXIPHDG-AWEZNQCLSA-N 2 0 339.430 2.243 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CCc2ccccc2)C2CC2)C1 ZINC001481194039 1180059561 /nfs/dbraw/zinc/05/95/61/1180059561.db2.gz BCPLWEVWXNXPKJ-SFHVURJKSA-N 2 0 329.488 2.152 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CCc2ccccc2)C2CC2)C1 ZINC001481194038 1180059752 /nfs/dbraw/zinc/05/97/52/1180059752.db2.gz BCPLWEVWXNXPKJ-GOSISDBHSA-N 2 0 329.488 2.152 10 0 EEAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267931142 1180780506 /nfs/dbraw/zinc/78/05/06/1180780506.db2.gz KTGQUZSYNUMCSW-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001481297435 1180946048 /nfs/dbraw/zinc/94/60/48/1180946048.db2.gz OWGDGYFSRFSEOF-QGZVFWFLSA-N 2 0 339.430 2.342 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)CC[NH+]1CCCCC1 ZINC001481319919 1181024645 /nfs/dbraw/zinc/02/46/45/1181024645.db2.gz QJDYRGFFXMUUGX-UHFFFAOYSA-N 2 0 338.883 2.159 10 0 EEAERP Cc1cccnc1C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001481347379 1181082377 /nfs/dbraw/zinc/08/23/77/1181082377.db2.gz JMPQTDAVHHQYGJ-SFHVURJKSA-N 2 0 332.492 2.201 10 0 EEAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001268161077 1181872968 /nfs/dbraw/zinc/87/29/68/1181872968.db2.gz AFAVLMOGECNOKL-HOTGVXAUSA-N 2 0 338.521 2.344 10 0 EEAERP Cc1cc(C)c(C[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)c(C)c1 ZINC001481658858 1182155660 /nfs/dbraw/zinc/15/56/60/1182155660.db2.gz STJOEAPXXZKDFM-UHFFFAOYSA-N 2 0 329.488 2.256 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001268372058 1182368839 /nfs/dbraw/zinc/36/88/39/1182368839.db2.gz AUZWXSMPXNENMW-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001268374203 1182377656 /nfs/dbraw/zinc/37/76/56/1182377656.db2.gz OQCKGOBRTZMHFZ-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001481731443 1182406228 /nfs/dbraw/zinc/40/62/28/1182406228.db2.gz SVFQCBLQJWEGQO-PKOBYXMFSA-N 2 0 347.503 2.328 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268385224 1182418606 /nfs/dbraw/zinc/41/86/06/1182418606.db2.gz KBOCYBUVVLSMAI-KGLIPLIRSA-N 2 0 333.411 2.113 10 0 EEAERP Cc1ccc(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001481753349 1182546951 /nfs/dbraw/zinc/54/69/51/1182546951.db2.gz SSCGJOXMEKDIOR-LJQANCHMSA-N 2 0 331.504 2.410 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425458 1182592543 /nfs/dbraw/zinc/59/25/43/1182592543.db2.gz GBBMYNLMLPNAHF-SJLPKXTDSA-N 2 0 332.492 2.249 10 0 EEAERP CCc1ccc(CC[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001268425193 1182597769 /nfs/dbraw/zinc/59/77/69/1182597769.db2.gz ZLXOCOWRSQRGND-LPHOPBHVSA-N 2 0 331.504 2.228 10 0 EEAERP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(Cc2cc(C)ns2)C1 ZINC001481777546 1182676813 /nfs/dbraw/zinc/67/68/13/1182676813.db2.gz IUMIZXNNHKZGIZ-OAHLLOKOSA-N 2 0 338.521 2.216 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cnccc1C ZINC001481813761 1182728866 /nfs/dbraw/zinc/72/88/66/1182728866.db2.gz MWXVWZMSNMNSPD-OKZBNKHCSA-N 2 0 332.492 2.105 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1ccc(C)nc1C ZINC001481814696 1182730246 /nfs/dbraw/zinc/73/02/46/1182730246.db2.gz ZNJGSKKUOPSALR-GBESFXJTSA-N 2 0 346.519 2.413 10 0 EEAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458857 1182741090 /nfs/dbraw/zinc/74/10/90/1182741090.db2.gz UGKIRIKGWLUXLF-SJLPKXTDSA-N 2 0 348.491 2.246 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnc(Cl)s1 ZINC001481823097 1182741589 /nfs/dbraw/zinc/74/15/89/1182741589.db2.gz AISKMCLGZPOYJL-WCQYABFASA-N 2 0 344.912 2.265 10 0 EEAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccc2nsnc21)[NH+](C)C ZINC001481825166 1182753607 /nfs/dbraw/zinc/75/36/07/1182753607.db2.gz INFIZIDJLXNQDV-DZGCQCFKSA-N 2 0 349.504 2.016 10 0 EEAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001268463011 1182774280 /nfs/dbraw/zinc/77/42/80/1182774280.db2.gz VZYBOTJYLKIYPK-SFHVURJKSA-N 2 0 332.492 2.140 10 0 EEAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268467933 1182815546 /nfs/dbraw/zinc/81/55/46/1182815546.db2.gz BBWDBHJDRSGYJR-UHFFFAOYSA-N 2 0 332.492 2.203 10 0 EEAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268479756 1182917485 /nfs/dbraw/zinc/91/74/85/1182917485.db2.gz SCLNTWPWPDJTNS-SFHVURJKSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1cncs1)[NH+]1CCCCC1 ZINC001268539261 1183204174 /nfs/dbraw/zinc/20/41/74/1183204174.db2.gz RGNYFTGIGJYWIS-PLNGDYQASA-N 2 0 336.505 2.170 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001482062395 1183276796 /nfs/dbraw/zinc/27/67/96/1183276796.db2.gz KXGBWEFKGMHOFC-LSDHHAIUSA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001482167769 1183495464 /nfs/dbraw/zinc/49/54/64/1183495464.db2.gz HQKDYJVJSCWMEQ-LSDHHAIUSA-N 2 0 331.451 2.250 10 0 EEAERP CCc1ccc(CC[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001268614390 1183530217 /nfs/dbraw/zinc/53/02/17/1183530217.db2.gz VNMWRCPYNYNUNO-ARJAWSKDSA-N 2 0 341.499 2.149 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC001268626186 1183544933 /nfs/dbraw/zinc/54/49/33/1183544933.db2.gz YVNBDUDYYPHFTC-OWOJBTEDSA-N 2 0 329.435 2.170 10 0 EEAERP COCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268743896 1183660524 /nfs/dbraw/zinc/66/05/24/1183660524.db2.gz XCWDVHRBRYGFIJ-WMZOPIPTSA-N 2 0 339.524 2.257 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268801286 1183716624 /nfs/dbraw/zinc/71/66/24/1183716624.db2.gz DYERRJVZBPQVNV-KRWDZBQOSA-N 2 0 339.430 2.387 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001268877054 1183785154 /nfs/dbraw/zinc/78/51/54/1183785154.db2.gz UDTPWHXKGAJIMN-IAGOWNOFSA-N 2 0 348.491 2.246 10 0 EEAERP CN(CCC[NH2+]Cc1cscn1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268915394 1183823815 /nfs/dbraw/zinc/82/38/15/1183823815.db2.gz MGMCKSPFZPSZQP-HOCLYGCPSA-N 2 0 338.521 2.202 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)o1 ZINC001268957651 1183850497 /nfs/dbraw/zinc/85/04/97/1183850497.db2.gz GQJDTFPWLPHLLA-MRXNPFEDSA-N 2 0 336.480 2.358 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCCC(F)(F)F)C1CC1 ZINC001269104003 1183963961 /nfs/dbraw/zinc/96/39/61/1183963961.db2.gz LLPJFZAJRNMIHC-UONOGXRCSA-N 2 0 335.414 2.298 10 0 EEAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001269493564 1184315338 /nfs/dbraw/zinc/31/53/38/1184315338.db2.gz YAXJCCHZOOGBGJ-ZIAGYGMSSA-N 2 0 338.883 2.061 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CCCC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482224956 1184320855 /nfs/dbraw/zinc/32/08/55/1184320855.db2.gz WGFJFIRFBYXEKB-UHFFFAOYSA-N 2 0 345.422 2.259 10 0 EEAERP Cc1cc(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CCCC2)sn1 ZINC001482227826 1184346591 /nfs/dbraw/zinc/34/65/91/1184346591.db2.gz DQLMLVXZXOVEFX-UHFFFAOYSA-N 2 0 338.521 2.312 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001284643842 1184647788 /nfs/dbraw/zinc/64/77/88/1184647788.db2.gz QKJOWZOVGRMMIO-LBPRGKRZSA-N 2 0 325.419 2.401 10 0 EEAERP CC[NH2+]CCC1CCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)CC1 ZINC001269864781 1184678374 /nfs/dbraw/zinc/67/83/74/1184678374.db2.gz JHVSWAPFJONYRO-KRWDZBQOSA-N 2 0 333.480 2.028 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCc2ccccc2)C1 ZINC001270304329 1185002571 /nfs/dbraw/zinc/00/25/71/1185002571.db2.gz SHAZVFSKUUWLRU-RTBURBONSA-N 2 0 329.488 2.152 10 0 EEAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482354405 1185491543 /nfs/dbraw/zinc/49/15/43/1185491543.db2.gz QNZCYHMXYREOGJ-GJZGRUSLSA-N 2 0 333.451 2.419 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001482354887 1185493517 /nfs/dbraw/zinc/49/35/17/1185493517.db2.gz VCZBURRKUFKSSE-QGZVFWFLSA-N 2 0 329.488 2.336 10 0 EEAERP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365286 1185521271 /nfs/dbraw/zinc/52/12/71/1185521271.db2.gz UPPCHACTDNOHAY-STQMWFEESA-N 2 0 341.858 2.367 10 0 EEAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001482552818 1186682267 /nfs/dbraw/zinc/68/22/67/1186682267.db2.gz AKDAFAGUNIVBIZ-MRXNPFEDSA-N 2 0 327.419 2.147 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)C)cs1 ZINC001482555054 1186717629 /nfs/dbraw/zinc/71/76/29/1186717629.db2.gz ZGULLHOGOJZOQJ-CJNGLKHVSA-N 2 0 338.521 2.024 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001279148990 1186757620 /nfs/dbraw/zinc/75/76/20/1186757620.db2.gz MNTPWHYGZNWHBW-PXNSSMCTSA-N 2 0 343.515 2.255 10 0 EEAERP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001482608787 1187368865 /nfs/dbraw/zinc/36/88/65/1187368865.db2.gz WBHIZJMPUKAOCY-OAHLLOKOSA-N 2 0 327.513 2.065 10 0 EEAERP CN(CC[N@H+](C)CCCc1ccsc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642973 1187474398 /nfs/dbraw/zinc/47/43/98/1187474398.db2.gz ZZSQEPNEGMQPMY-KRWDZBQOSA-N 2 0 337.533 2.413 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001482692769 1187659594 /nfs/dbraw/zinc/65/95/94/1187659594.db2.gz JYQJZOGFYSBNMS-OALUTQOASA-N 2 0 346.519 2.415 10 0 EEAERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001482864521 1187783893 /nfs/dbraw/zinc/78/38/93/1187783893.db2.gz KHUBQBLDMQNISD-RYRKJORJSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482870236 1187790151 /nfs/dbraw/zinc/79/01/51/1187790151.db2.gz AQDVACBLTRYQLT-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482875861 1187795590 /nfs/dbraw/zinc/79/55/90/1187795590.db2.gz BYFDECWORNRYIF-CQSZACIVSA-N 2 0 348.491 2.268 10 0 EEAERP C[C@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)C[NH+]1CCCC1 ZINC001482899191 1187811183 /nfs/dbraw/zinc/81/11/83/1187811183.db2.gz MRQNUTYPENREGX-CQSZACIVSA-N 2 0 331.451 2.392 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001483008179 1187990303 /nfs/dbraw/zinc/99/03/03/1187990303.db2.gz HNCGYBSYKBUXQD-FTHSPAQPSA-N 2 0 327.472 2.302 10 0 EEAERP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001483024811 1188014466 /nfs/dbraw/zinc/01/44/66/1188014466.db2.gz RZZCQCZYXIEPJD-WNEUIUNWSA-N 2 0 348.516 2.230 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCCCCF)CC2 ZINC001272825789 1193564688 /nfs/dbraw/zinc/56/46/88/1193564688.db2.gz IXJHXJLLLQOCTF-UHFFFAOYSA-N 2 0 327.488 2.392 10 0 EEAERP C[C@H](C[NH2+]Cc1ccncc1Cl)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483137276 1188687236 /nfs/dbraw/zinc/68/72/36/1188687236.db2.gz NOOAUUAJELSEPU-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483184857 1189051086 /nfs/dbraw/zinc/05/10/86/1189051086.db2.gz QZFNKWMRKWHYNW-CQSZACIVSA-N 2 0 335.517 2.464 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001409423590 1189655094 /nfs/dbraw/zinc/65/50/94/1189655094.db2.gz QXSJJASDWXBKIZ-ZIAGYGMSSA-N 2 0 348.491 2.014 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485956495 1193648595 /nfs/dbraw/zinc/64/85/95/1193648595.db2.gz XVPYBKKNTWWOBG-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001485960153 1193659431 /nfs/dbraw/zinc/65/94/31/1193659431.db2.gz ACKSIOZCEUTCHA-KBXCAEBGSA-N 2 0 348.491 2.363 10 0 EEAERP CCc1cccc(OCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001483259052 1190284711 /nfs/dbraw/zinc/28/47/11/1190284711.db2.gz XDZRKCPRVGZJAZ-LPHOPBHVSA-N 2 0 347.503 2.206 10 0 EEAERP Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266240 1190291613 /nfs/dbraw/zinc/29/16/13/1190291613.db2.gz ICHGVRGSQOTDKH-HOTGVXAUSA-N 2 0 346.519 2.450 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC001483296718 1190319726 /nfs/dbraw/zinc/31/97/26/1190319726.db2.gz PSMPFANNDIUTGN-YJBOKZPZSA-N 2 0 333.476 2.164 10 0 EEAERP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001486094458 1193679334 /nfs/dbraw/zinc/67/93/34/1193679334.db2.gz BDCHHTOBMPAHAG-JWUWVAEESA-N 2 0 327.472 2.375 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)CC2CC[NH+](C)CC2)o1 ZINC001483495477 1190511776 /nfs/dbraw/zinc/51/17/76/1190511776.db2.gz AXFICNGFOAYBAO-OAHLLOKOSA-N 2 0 336.480 2.214 10 0 EEAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001493543721 1190528262 /nfs/dbraw/zinc/52/82/62/1190528262.db2.gz CKAZDTDPIQJENI-LJQANCHMSA-N 2 0 331.504 2.458 10 0 EEAERP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1ccc(F)c(F)c1 ZINC001483586177 1190571498 /nfs/dbraw/zinc/57/14/98/1190571498.db2.gz OEVDTMQKLBPYKC-SJCJKPOMSA-N 2 0 339.430 2.462 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483599641 1190579512 /nfs/dbraw/zinc/57/95/12/1190579512.db2.gz VSITYARWPHFYAT-MAUKXSAKSA-N 2 0 333.451 2.152 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC001483604971 1190585498 /nfs/dbraw/zinc/58/54/98/1190585498.db2.gz BHFVIHCVTSILTD-MBNRZODZSA-N 2 0 327.472 2.280 10 0 EEAERP CCc1nocc1C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001409789336 1190621826 /nfs/dbraw/zinc/62/18/26/1190621826.db2.gz SLVBCPKAOJQWQV-UHFFFAOYSA-N 2 0 336.480 2.097 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1ocnc1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001409819003 1190649378 /nfs/dbraw/zinc/64/93/78/1190649378.db2.gz RNNVMDHXWYHZJY-IAGOWNOFSA-N 2 0 348.491 2.089 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001272343795 1190777413 /nfs/dbraw/zinc/77/74/13/1190777413.db2.gz OSDFQWYJORXENU-OLZOCXBDSA-N 2 0 334.291 2.276 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1)[NH+](C)C ZINC001272477360 1190842417 /nfs/dbraw/zinc/84/24/17/1190842417.db2.gz WPRPKRSEPZWQEE-CHWSQXEVSA-N 2 0 336.307 2.474 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483743779 1190895282 /nfs/dbraw/zinc/89/52/82/1190895282.db2.gz CMARCYDXYFXNFV-WBVHZDCISA-N 2 0 346.475 2.047 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001272642804 1190949841 /nfs/dbraw/zinc/94/98/41/1190949841.db2.gz XXLQIBOHWLZOQT-INIZCTEOSA-N 2 0 333.451 2.250 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001409905007 1190992811 /nfs/dbraw/zinc/99/28/11/1190992811.db2.gz CGWAMDQVPLBMAL-UONOGXRCSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]C/C(Cl)=C\Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483917119 1191115825 /nfs/dbraw/zinc/11/58/25/1191115825.db2.gz UCXYDRCVGYUMFU-IPUYDCKKSA-N 2 0 346.302 2.370 10 0 EEAERP Cc1ncccc1C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483973659 1191137554 /nfs/dbraw/zinc/13/75/54/1191137554.db2.gz CGADLAZFOHFVOX-QGZVFWFLSA-N 2 0 344.503 2.203 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCOc2ccccc2)C1)[NH+](C)C ZINC001484100811 1191210847 /nfs/dbraw/zinc/21/08/47/1191210847.db2.gz IYCYGHZQNMYAJX-QUCCMNQESA-N 2 0 347.503 2.234 10 0 EEAERP COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484395319 1191329650 /nfs/dbraw/zinc/32/96/50/1191329650.db2.gz VTUSLGQFUXQTFS-KZNAEPCWSA-N 2 0 339.524 2.018 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccccn1 ZINC001484464924 1191369529 /nfs/dbraw/zinc/36/95/29/1191369529.db2.gz LLCOVTCDINHGMR-OALUTQOASA-N 2 0 344.503 2.379 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C2CC2)no1 ZINC001484466259 1191370088 /nfs/dbraw/zinc/37/00/88/1191370088.db2.gz XDUBHSNGJZNGBV-MSOLQXFVSA-N 2 0 346.475 2.069 10 0 EEAERP CC/C=C/CCN1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001484595273 1191435835 /nfs/dbraw/zinc/43/58/35/1191435835.db2.gz HPDQMOIYKRCLQW-JDTHPWDHSA-N 2 0 337.508 2.034 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CCC1 ZINC001484638638 1191454023 /nfs/dbraw/zinc/45/40/23/1191454023.db2.gz FUCYATDZKDMGIX-GOSISDBHSA-N 2 0 345.487 2.178 10 0 EEAERP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001484680946 1191464913 /nfs/dbraw/zinc/46/49/13/1191464913.db2.gz SBDRPPYXHFISPZ-PJHKVULZSA-N 2 0 337.508 2.034 10 0 EEAERP C[N@H+](CC(=O)N1CCO[C@@H](C[NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001484680944 1191465070 /nfs/dbraw/zinc/46/50/70/1191465070.db2.gz RKJXUPWKPIFFOB-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001484827463 1191536600 /nfs/dbraw/zinc/53/66/00/1191536600.db2.gz NXKVEDIQQIDGGK-MJGOQNOKSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCOCC1)[NH+](C)C ZINC001484864681 1191555089 /nfs/dbraw/zinc/55/50/89/1191555089.db2.gz KTZPRCZCAPGNGN-MRXNPFEDSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001485041455 1191623125 /nfs/dbraw/zinc/62/31/25/1191623125.db2.gz LYLKXGCJKXOWEM-ROUUACIJSA-N 2 0 347.478 2.291 10 0 EEAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485205455 1191692555 /nfs/dbraw/zinc/69/25/55/1191692555.db2.gz NZIQQJQOPSERRS-MSOLQXFVSA-N 2 0 347.503 2.280 10 0 EEAERP Cc1cncc(C[NH+]2CC[C@@]3(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]23)c1 ZINC001486153183 1193703301 /nfs/dbraw/zinc/70/33/01/1193703301.db2.gz CPDZIJLVWRVNPX-ICSRJNTNSA-N 2 0 344.503 2.343 10 0 EEAERP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001486249035 1193776497 /nfs/dbraw/zinc/77/64/97/1193776497.db2.gz HTJVVZBXNSCVAA-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001486440628 1193968981 /nfs/dbraw/zinc/96/89/81/1193968981.db2.gz VWAYSAWYUNDFRL-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP CCOCC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001486511987 1194030966 /nfs/dbraw/zinc/03/09/66/1194030966.db2.gz SLMHAIGZNKRQGH-UHFFFAOYSA-N 2 0 342.443 2.041 10 0 EEAERP Cc1cccc(CCC[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001493600581 1194100315 /nfs/dbraw/zinc/10/03/15/1194100315.db2.gz OFQFKNOPEUFTCN-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001409955654 1194279913 /nfs/dbraw/zinc/27/99/13/1194279913.db2.gz YWUYPYFRJYDLQZ-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@]12CN(C(=O)C3([NH3+])CCCC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702078606 1195715016 /nfs/dbraw/zinc/71/50/16/1195715016.db2.gz YEXMQTBMLNEVAH-PKOBYXMFSA-N 2 0 327.472 2.238 10 0 EEAERP Cc1ccccc1CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273175875 1197344495 /nfs/dbraw/zinc/34/44/95/1197344495.db2.gz LPNXNJIINAFDDZ-PKOBYXMFSA-N 2 0 331.504 2.364 10 0 EEAERP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001410160903 1197575265 /nfs/dbraw/zinc/57/52/65/1197575265.db2.gz PSJZWLFXRDVZQF-UDTPNQRGSA-N 2 0 345.462 2.277 10 0 EEAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001410209637 1197608917 /nfs/dbraw/zinc/60/89/17/1197608917.db2.gz IUBAWWGJQFFKSI-CKEIUWERSA-N 2 0 339.430 2.289 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410377428 1197771455 /nfs/dbraw/zinc/77/14/55/1197771455.db2.gz FXBKEKAVFFWTKB-CRAIPNDOSA-N 2 0 332.492 2.199 10 0 EEAERP CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872034740 1198032731 /nfs/dbraw/zinc/03/27/31/1198032731.db2.gz IRWRQPRXALOCNH-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP COC(=O)c1ccc(OC)c2c1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000872154853 1198063052 /nfs/dbraw/zinc/06/30/52/1198063052.db2.gz ZWRRZNGFXYGUGA-AWEZNQCLSA-N 2 0 332.444 2.230 10 0 EEAERP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208065 1198087244 /nfs/dbraw/zinc/08/72/44/1198087244.db2.gz BPQPTZRLBPMESC-RBUKOAKNSA-N 2 0 334.504 2.400 10 0 EEAERP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865266033 1198148529 /nfs/dbraw/zinc/14/85/29/1198148529.db2.gz XHCAXXWLMNCLIB-MRXNPFEDSA-N 2 0 326.554 2.199 10 0 EEAERP CC(=O)NCC1CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000865417368 1198206625 /nfs/dbraw/zinc/20/66/25/1198206625.db2.gz IJTDIUKTDSEFEW-UHFFFAOYSA-N 2 0 347.503 2.412 10 0 EEAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865530671 1198261767 /nfs/dbraw/zinc/26/17/67/1198261767.db2.gz HBSLCSGABUNPLR-UHFFFAOYSA-N 2 0 332.448 2.039 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381780 1198423260 /nfs/dbraw/zinc/42/32/60/1198423260.db2.gz IXTSSGONPFNFEE-CRAIPNDOSA-N 2 0 342.487 2.446 10 0 EEAERP CCCCNc1cc(C)[nH+]c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866011180 1198453601 /nfs/dbraw/zinc/45/36/01/1198453601.db2.gz VRDSPKCDFGSWQV-IAGOWNOFSA-N 3 0 348.539 2.173 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2F)C[C@@H]1C ZINC001410837364 1198480960 /nfs/dbraw/zinc/48/09/60/1198480960.db2.gz BFAGRJIYNFHDEY-DOTOQJQBSA-N 2 0 335.467 2.287 10 0 EEAERP Brc1cccc2c1C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CO2 ZINC000873223146 1198534575 /nfs/dbraw/zinc/53/45/75/1198534575.db2.gz KSDSNFQENJUWIC-RYUDHWBXSA-N 2 0 325.250 2.484 10 0 EEAERP CC[C@H](C[N@@H+]1CC[C@]2(NC(=O)CCCn3ccnc3)CCC[C@H]12)OC ZINC001410893380 1198547549 /nfs/dbraw/zinc/54/75/49/1198547549.db2.gz FFQRVKHUIWPPIG-ZIFCJYIRSA-N 2 0 348.491 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC(F)(F)C1)CC2 ZINC001410927061 1198591296 /nfs/dbraw/zinc/59/12/96/1198591296.db2.gz ZTAUDPWGONZLFL-WBVHZDCISA-N 2 0 343.462 2.487 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001410962433 1198634675 /nfs/dbraw/zinc/63/46/75/1198634675.db2.gz RZJHPOUQXHZLKS-HZPDHXFCSA-N 2 0 336.480 2.006 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001411075241 1198757796 /nfs/dbraw/zinc/75/77/96/1198757796.db2.gz DEPICSHYKBTYGL-HOTGVXAUSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC(C)(C)C[NH+](C)C)cc(Cl)n1 ZINC000825789956 1199242828 /nfs/dbraw/zinc/24/28/28/1199242828.db2.gz DFLQLOQPHNVMGP-CYBMUJFWSA-N 2 0 326.872 2.137 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000810351968 1199464608 /nfs/dbraw/zinc/46/46/08/1199464608.db2.gz CEWGJQHRCFEUIE-QAPCUYQASA-N 2 0 325.472 2.286 10 0 EEAERP Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020352 1200410948 /nfs/dbraw/zinc/41/09/48/1200410948.db2.gz NQRLGPYQNIBZBC-HUUCEWRRSA-N 2 0 337.895 2.460 10 0 EEAERP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1F ZINC000870022023 1200411865 /nfs/dbraw/zinc/41/18/65/1200411865.db2.gz MZOIAVLTRFFHPT-ARFHVFGLSA-N 2 0 335.467 2.127 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cncc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870023016 1200413056 /nfs/dbraw/zinc/41/30/56/1200413056.db2.gz IOMVBHBFFKSAHK-IAGOWNOFSA-N 2 0 340.471 2.046 10 0 EEAERP CC[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000870927340 1200960746 /nfs/dbraw/zinc/96/07/46/1200960746.db2.gz QHOIDIWHPRXNPR-RMJJICAUSA-N 2 0 327.472 2.237 10 0 EEAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870937800 1200966964 /nfs/dbraw/zinc/96/69/64/1200966964.db2.gz BBMSHLCMHVUUOC-OLZOCXBDSA-N 2 0 328.254 2.083 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000879669790 1201202622 /nfs/dbraw/zinc/20/26/22/1201202622.db2.gz VAMOYTLGCNLPLE-HUUCEWRRSA-N 2 0 347.425 2.462 10 0 EEAERP C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000866414666 1201512467 /nfs/dbraw/zinc/51/24/67/1201512467.db2.gz RHQZUWXUDXRZOG-RLLQIKCJSA-N 2 0 345.531 2.332 10 0 EEAERP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C1CCCC1 ZINC000867978626 1201718866 /nfs/dbraw/zinc/71/88/66/1201718866.db2.gz QHRNZRXEJBKZQV-ZIAGYGMSSA-N 2 0 340.265 2.083 10 0 EEAERP C[NH+](C)C1(C)CCC(NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000868166175 1201756483 /nfs/dbraw/zinc/75/64/83/1201756483.db2.gz HCTGRPJCCPSNPU-TZGCNFNXSA-N 2 0 345.491 2.282 10 0 EEAERP CC(C)[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[NH+](C)C ZINC000882391792 1201864611 /nfs/dbraw/zinc/86/46/11/1201864611.db2.gz GAPQSOVJDWYKKW-RTBURBONSA-N 2 0 344.503 2.496 10 0 EEAERP Cc1cnc([C@H](C)NC/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001274025295 1204331402 /nfs/dbraw/zinc/33/14/02/1204331402.db2.gz KIRZLUFLZRKZBM-DKLOGILVSA-N 2 0 334.464 2.179 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001274152269 1204410987 /nfs/dbraw/zinc/41/09/87/1204410987.db2.gz FQDWFIZZBHBJHD-BQYQJAHWSA-N 2 0 348.491 2.398 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001274154623 1204412911 /nfs/dbraw/zinc/41/29/11/1204412911.db2.gz TUOQAAFXGWXHFP-PHWHVTFISA-N 2 0 344.503 2.272 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC001274263194 1204980423 /nfs/dbraw/zinc/98/04/23/1204980423.db2.gz NZIMGZDNSFTNKG-VHZQRCSFSA-N 2 0 337.414 2.382 10 0 EEAERP CC(C)COCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001274345756 1205006501 /nfs/dbraw/zinc/00/65/01/1205006501.db2.gz YMXAXIUJGOWTBT-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274430650 1205034080 /nfs/dbraw/zinc/03/40/80/1205034080.db2.gz QPJALBKCIQQCTC-KTBRJVSMSA-N 2 0 342.487 2.169 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C(C)(C)C1 ZINC001274453227 1205043126 /nfs/dbraw/zinc/04/31/26/1205043126.db2.gz HYJRCDYNHXZHOA-CVEARBPZSA-N 2 0 336.480 2.087 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2cncc(F)c2)CC1 ZINC001274480890 1205052838 /nfs/dbraw/zinc/05/28/38/1205052838.db2.gz BYSZBRDVXJBMLU-ONEGZZNKSA-N 2 0 348.466 2.103 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001274578088 1205085190 /nfs/dbraw/zinc/08/51/90/1205085190.db2.gz FCIBJWIJQSWUSQ-DWTRPJMMSA-N 2 0 327.428 2.147 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCF)C2)C1 ZINC001275184525 1205276952 /nfs/dbraw/zinc/27/69/52/1205276952.db2.gz PXUPLEKQCXQGLW-DLBZAZTESA-N 2 0 327.488 2.248 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001275284582 1205298652 /nfs/dbraw/zinc/29/86/52/1205298652.db2.gz MIWMOWMEXCSJDX-QHGAOEGBSA-N 2 0 343.515 2.445 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480523 1205378844 /nfs/dbraw/zinc/37/88/44/1205378844.db2.gz IKIUJVGOVDUVLJ-DLBZAZTESA-N 2 0 347.503 2.198 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275914898 1205583753 /nfs/dbraw/zinc/58/37/53/1205583753.db2.gz GOFSPWWTEJXBCQ-MSOLQXFVSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001276196485 1205828925 /nfs/dbraw/zinc/82/89/25/1205828925.db2.gz ZQYLEQOCONEEFN-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@@H]1OC[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)[C@@H]1C ZINC000924644097 1206009179 /nfs/dbraw/zinc/00/91/79/1206009179.db2.gz SFLBBXKOEZGDLC-LCLWPZTBSA-N 2 0 331.504 2.378 10 0 EEAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccns1 ZINC000924944325 1206053947 /nfs/dbraw/zinc/05/39/47/1206053947.db2.gz XFTAMBBVNCIMIR-OAHLLOKOSA-N 2 0 346.504 2.186 10 0 EEAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)cc1 ZINC000925441209 1206112246 /nfs/dbraw/zinc/11/22/46/1206112246.db2.gz OQZHUXMPVWVXLF-WDYCEAGBSA-N 2 0 327.472 2.422 10 0 EEAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925499262 1206119699 /nfs/dbraw/zinc/11/96/99/1206119699.db2.gz NQZDCDCSQGDRQW-FRRDWIJNSA-N 2 0 328.403 2.200 10 0 EEAERP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508271 1206120946 /nfs/dbraw/zinc/12/09/46/1206120946.db2.gz PTRIKEAJFWTNLC-AEGPPILISA-N 2 0 339.505 2.151 10 0 EEAERP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925517941 1206122132 /nfs/dbraw/zinc/12/21/32/1206122132.db2.gz OWWWRMWLXOYNBF-SQNIBIBYSA-N 2 0 329.488 2.297 10 0 EEAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925563631 1206128735 /nfs/dbraw/zinc/12/87/35/1206128735.db2.gz OTCQGSYCQCDDCT-MORSLUCNSA-N 2 0 343.471 2.265 10 0 EEAERP CC1(C)[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925598705 1206134045 /nfs/dbraw/zinc/13/40/45/1206134045.db2.gz SVUSFXZNRKBBLX-SQNIBIBYSA-N 2 0 335.536 2.388 10 0 EEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C12CCC2 ZINC000925666447 1206141447 /nfs/dbraw/zinc/14/14/47/1206141447.db2.gz PPRCDNHYFQVNLG-KSZLIROESA-N 2 0 327.472 2.080 10 0 EEAERP C[C@@H]1[NH2+]CCC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000925838427 1206158901 /nfs/dbraw/zinc/15/89/01/1206158901.db2.gz XEZVCOOBZXSFQZ-PKOBYXMFSA-N 2 0 331.504 2.398 10 0 EEAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C[C@H]1C ZINC000925846865 1206159648 /nfs/dbraw/zinc/15/96/48/1206159648.db2.gz YDTSTVXFANIWDT-FGTMMUONSA-N 2 0 339.524 2.019 10 0 EEAERP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925848125 1206160150 /nfs/dbraw/zinc/16/01/50/1206160150.db2.gz AMWBDNRAMOVDRH-INIZCTEOSA-N 2 0 332.492 2.371 10 0 EEAERP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854257 1206161330 /nfs/dbraw/zinc/16/13/30/1206161330.db2.gz MKIOCXRSZMEFOW-WMZOPIPTSA-N 2 0 344.455 2.348 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1N(C)C ZINC000925856920 1206161748 /nfs/dbraw/zinc/16/17/48/1206161748.db2.gz OFQSXIPOCKXORR-GJZGRUSLSA-N 2 0 331.460 2.089 10 0 EEAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925901075 1206165263 /nfs/dbraw/zinc/16/52/63/1206165263.db2.gz YHIJXSCDPMBBRT-SFHVURJKSA-N 2 0 347.507 2.058 10 0 EEAERP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928550522 1206398067 /nfs/dbraw/zinc/39/80/67/1206398067.db2.gz WUKWRAXICPLQIJ-GUDVDZBRSA-N 2 0 329.488 2.355 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)CCCC[NH+]1CCCC1)c1cccnc1 ZINC000928837633 1206426274 /nfs/dbraw/zinc/42/62/74/1206426274.db2.gz UZVUVHXFDIGDKL-SFHVURJKSA-N 2 0 332.492 2.457 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000929469540 1206478206 /nfs/dbraw/zinc/47/82/06/1206478206.db2.gz OCPYKALEWWLSBO-IBGZPJMESA-N 2 0 345.487 2.051 10 0 EEAERP C[N@H+](C[C@H](O)C1(O)CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753461 1206498496 /nfs/dbraw/zinc/49/84/96/1206498496.db2.gz ATOUKUIOLHYWSE-OALUTQOASA-N 2 0 332.488 2.106 10 0 EEAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930170386 1206538967 /nfs/dbraw/zinc/53/89/67/1206538967.db2.gz ZZXYWNKTQFGTHZ-YZGWKJHDSA-N 2 0 345.487 2.424 10 0 EEAERP c1cc(N2CCC[N@@H+](C[C@H]3CCC[C@]4(CCOC4)O3)CC2)cc[nH+]1 ZINC001413012643 1216508696 /nfs/dbraw/zinc/50/86/96/1216508696.db2.gz RMPPMTUJHJBAPB-RTBURBONSA-N 2 0 331.460 2.322 10 0 EEAERP C[NH+](C)CCOc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1Cl ZINC000900737711 1234734494 /nfs/dbraw/zinc/73/44/94/1234734494.db2.gz HPISODDJGPHHSK-UHFFFAOYSA-N 2 0 337.851 2.315 10 0 EEAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902832702 1238651304 /nfs/dbraw/zinc/65/13/04/1238651304.db2.gz PKTMWQFHDMBYJT-WMZOPIPTSA-N 2 0 331.504 2.242 10 0 EEAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902882025 1238847163 /nfs/dbraw/zinc/84/71/63/1238847163.db2.gz RYNDUSPPKKAXSX-MQOFPFBISA-N 2 0 334.504 2.157 10 0 EEAERP c1ccc2c(c1)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C[C@H]1CCCN21 ZINC000903784472 1241954794 /nfs/dbraw/zinc/95/47/94/1241954794.db2.gz PWBYGRPSJXXGHO-GGPKGHCWSA-N 2 0 327.472 2.240 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOc2ccc(C)cc2)cnn1C ZINC000903876782 1242280047 /nfs/dbraw/zinc/28/00/47/1242280047.db2.gz INUOIFNUWIUYKJ-QGZVFWFLSA-N 2 0 330.476 2.165 10 0 EEAERP Clc1cccc(OCC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903922743 1242514955 /nfs/dbraw/zinc/51/49/55/1242514955.db2.gz DIESJXODDZCDQD-AWEZNQCLSA-N 2 0 335.839 2.025 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(Cc3nccs3)CC2)cnn1C ZINC000903933921 1242561312 /nfs/dbraw/zinc/56/13/12/1242561312.db2.gz AVHRNUWBJNUTTC-INIZCTEOSA-N 2 0 347.532 2.257 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](Cc2ccccn2)CC(C)C)cnn1C ZINC000903988237 1242890766 /nfs/dbraw/zinc/89/07/66/1242890766.db2.gz PNCVUUZAEKAHGN-KRWDZBQOSA-N 2 0 329.492 2.399 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490958438 1258510105 /nfs/dbraw/zinc/51/01/05/1258510105.db2.gz ZESLSPPIDPVXQK-GUDVDZBRSA-N 2 0 344.503 2.247 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(Cl)c1F ZINC001491456342 1259099401 /nfs/dbraw/zinc/09/94/01/1259099401.db2.gz GUBPMNKKSNTGHZ-OUCADQQQSA-N 2 0 341.858 2.414 10 0 EEAERP CCc1ccccc1CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491456960 1259100795 /nfs/dbraw/zinc/10/07/95/1259100795.db2.gz LSGHQZDVTFMTKJ-JXFKEZNVSA-N 2 0 343.515 2.228 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410513002 1277969366 /nfs/dbraw/zinc/96/93/66/1277969366.db2.gz ONNOXQWGWZPHOP-CYBMUJFWSA-N 2 0 327.419 2.242 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001489230501 1290480462 /nfs/dbraw/zinc/48/04/62/1290480462.db2.gz CLLXRZVIHAROAF-HXLJHPCKSA-N 2 0 327.900 2.440 10 0 EEAERP Cc1nc(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001489239810 1290489393 /nfs/dbraw/zinc/48/93/93/1290489393.db2.gz WUPBDXVIOKCUTH-OAHLLOKOSA-N 2 0 338.521 2.264 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001490456468 1291392499 /nfs/dbraw/zinc/39/24/99/1291392499.db2.gz FEDKVTSSPBYLSL-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001490739995 1291653279 /nfs/dbraw/zinc/65/32/79/1291653279.db2.gz OHYDCIYSMJLLSH-GOSISDBHSA-N 2 0 333.451 2.236 10 0 EEAERP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC000854734953 1292933330 /nfs/dbraw/zinc/93/33/30/1292933330.db2.gz GNAGFVHFFCQAPG-QZTJIDSGSA-N 2 0 325.472 2.143 10 0 EEAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855899165 1293360819 /nfs/dbraw/zinc/36/08/19/1293360819.db2.gz HEEWVKOWJZNWNJ-QAPCUYQASA-N 2 0 327.488 2.436 10 0 EEAERP Cn1ccnc1[C@](O)(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858105676 1294007829 /nfs/dbraw/zinc/00/78/29/1294007829.db2.gz MCVRVDUBLOSYRN-SWLSCSKDSA-N 2 0 348.413 2.023 10 0 EEAERP C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC1 ZINC000858121934 1294012929 /nfs/dbraw/zinc/01/29/29/1294012929.db2.gz CUSZTRWXWLEFIF-LJQANCHMSA-N 2 0 341.499 2.453 10 0 EEAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931377328 1297165185 /nfs/dbraw/zinc/16/51/85/1297165185.db2.gz WCDRLUQLYRLUCN-HZPDHXFCSA-N 2 0 330.476 2.443 10 0 EEAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001276887247 1300114852 /nfs/dbraw/zinc/11/48/52/1300114852.db2.gz ZURXDWHRRQXHKY-ARJAWSKDSA-N 2 0 331.504 2.363 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)[NH+](C)C ZINC001277075208 1301164745 /nfs/dbraw/zinc/16/47/45/1301164745.db2.gz SOSXMDQKCCJQQQ-BFYDXBDKSA-N 2 0 337.533 2.361 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001277334794 1302474465 /nfs/dbraw/zinc/47/44/65/1302474465.db2.gz AVGVIGHZXWZMKZ-OAHLLOKOSA-N 2 0 348.491 2.268 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362938 1302659413 /nfs/dbraw/zinc/65/94/13/1302659413.db2.gz OPWSXIJEJBBHDE-CRAIPNDOSA-N 2 0 347.507 2.034 10 0 EEAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001277542738 1303867198 /nfs/dbraw/zinc/86/71/98/1303867198.db2.gz XFSSLEZOSHMHLM-QZTJIDSGSA-N 2 0 347.503 2.072 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)CC[N@@H+]1C ZINC000697086675 1304315394 /nfs/dbraw/zinc/31/53/94/1304315394.db2.gz QAOFFLICQCGDBX-CABCVRRESA-N 2 0 341.496 2.133 10 0 EEAERP CCCCOCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001277893054 1305027113 /nfs/dbraw/zinc/02/71/13/1305027113.db2.gz ZESIZJTZOXZLKS-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@H]1C ZINC001278314435 1309337022 /nfs/dbraw/zinc/33/70/22/1309337022.db2.gz DVBCZEPIBSDYLU-IEBWSBKVSA-N 2 0 347.503 2.295 10 0 EEAERP CN(CC1([NH+](C)C)CCC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000841425347 1315551980 /nfs/dbraw/zinc/55/19/80/1315551980.db2.gz AJKOQGJIWWSLCW-UHFFFAOYSA-N 2 0 329.488 2.378 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001278583280 1317275329 /nfs/dbraw/zinc/27/53/29/1317275329.db2.gz XVWYUVSHAJSKFN-PZJWPPBQSA-N 2 0 343.515 2.317 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001278711660 1317823789 /nfs/dbraw/zinc/82/37/89/1317823789.db2.gz XXYBGLZOUIHKAO-IAGOWNOFSA-N 2 0 337.508 2.058 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001316655670 1328947652 /nfs/dbraw/zinc/94/76/52/1328947652.db2.gz UYLYHBNIBFIDFG-BBWFWOEESA-N 2 0 327.488 2.341 10 0 EEAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCCCCF)C1 ZINC001276414892 1321929418 /nfs/dbraw/zinc/92/94/18/1321929418.db2.gz ZEKDLXSOXRJXQP-OAHLLOKOSA-N 2 0 327.488 2.437 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)CC1 ZINC001264125705 1322635524 /nfs/dbraw/zinc/63/55/24/1322635524.db2.gz PEOWDNQKGZREAH-KRWDZBQOSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H]1CCC[NH2+]CCF ZINC001264574027 1322735721 /nfs/dbraw/zinc/73/57/21/1322735721.db2.gz DHQUFRSHPZYYRT-BPQIPLTHSA-N 2 0 339.499 2.295 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001264686053 1322784566 /nfs/dbraw/zinc/78/45/66/1322784566.db2.gz YOYVZNAZHPLZIQ-SFHVURJKSA-N 2 0 339.524 2.260 10 0 EEAERP COc1ccc(CC[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001264987988 1322836506 /nfs/dbraw/zinc/83/65/06/1322836506.db2.gz UGIXYJFOBHBYCU-VQIMIIECSA-N 2 0 347.503 2.016 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001265422173 1323147511 /nfs/dbraw/zinc/14/75/11/1323147511.db2.gz CWLZOZDYMMQTIH-UEUXVIHFSA-N 2 0 327.472 2.375 10 0 EEAERP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001265442726 1323158047 /nfs/dbraw/zinc/15/80/47/1323158047.db2.gz CPXHUUJPVVUUME-WMZOPIPTSA-N 2 0 337.508 2.011 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001265566202 1323222615 /nfs/dbraw/zinc/22/26/15/1323222615.db2.gz CFFQXJLSSRAOMG-SCTDSRPQSA-N 2 0 347.503 2.197 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCF)C1)c1ccccc1 ZINC001265631009 1323281323 /nfs/dbraw/zinc/28/13/23/1323281323.db2.gz UVHOJWWDXNWGHD-AEFFLSMTSA-N 2 0 335.467 2.477 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)[C@H](C)c2cnccn2)C1 ZINC001265907759 1323476240 /nfs/dbraw/zinc/47/62/40/1323476240.db2.gz BTOMJWNWFSQTEU-SJORKVTESA-N 2 0 347.507 2.098 10 0 EEAERP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265975415 1323535064 /nfs/dbraw/zinc/53/50/64/1323535064.db2.gz AANGBCFMCXZQBH-JKSUJKDBSA-N 2 0 325.472 2.049 10 0 EEAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CCCC1(F)F ZINC001265974683 1323535526 /nfs/dbraw/zinc/53/55/26/1323535526.db2.gz XIOGJTZVBOUORT-HNNXBMFYSA-N 2 0 331.451 2.346 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266021268 1323573412 /nfs/dbraw/zinc/57/34/12/1323573412.db2.gz VBERTUZLMPRFFI-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(F)cc1 ZINC001266042480 1323592573 /nfs/dbraw/zinc/59/25/73/1323592573.db2.gz DCPMFLBHVFNMBL-CRAIPNDOSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)ncn1 ZINC001266075618 1323631871 /nfs/dbraw/zinc/63/18/71/1323631871.db2.gz PEJCOZHWBXSUTB-SJORKVTESA-N 2 0 347.507 2.034 10 0 EEAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001280084189 1324079185 /nfs/dbraw/zinc/07/91/85/1324079185.db2.gz OKCANHVXWAEWDZ-HOCLYGCPSA-N 2 0 338.521 2.058 10 0 EEAERP C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280378141 1324186450 /nfs/dbraw/zinc/18/64/50/1324186450.db2.gz BUGGDNWAJYZIHX-JYJNAYRXSA-N 2 0 325.472 2.095 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCc3ccccc3Cl)C2)C1 ZINC001282074376 1325611092 /nfs/dbraw/zinc/61/10/92/1325611092.db2.gz SXZNAFHLXUKRAC-WIHSUSGWSA-N 2 0 349.906 2.319 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001282231021 1325657795 /nfs/dbraw/zinc/65/77/95/1325657795.db2.gz STJVAMKKPAVBPM-JKSUJKDBSA-N 2 0 335.467 2.337 10 0 EEAERP COCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC1=CCCCC1 ZINC001284658326 1326650017 /nfs/dbraw/zinc/65/00/17/1326650017.db2.gz VMQWIAUIXUVTCC-GOSISDBHSA-N 2 0 337.508 2.036 10 0 EEAERP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(CC[NH+](C)C)c2)C[C@@H](C)O1 ZINC001587797754 1348872202 /nfs/dbraw/zinc/87/22/02/1348872202.db2.gz DDGKPHQGUXVSRP-IAGOWNOFSA-N 2 0 347.503 2.020 10 0 EEAERP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491896139 1330294165 /nfs/dbraw/zinc/29/41/65/1330294165.db2.gz KJIRBPGVWHJFAB-RBUKOAKNSA-N 2 0 347.503 2.415 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001492126892 1330980179 /nfs/dbraw/zinc/98/01/79/1330980179.db2.gz BRXVZOQXUBBJBD-CABCVRRESA-N 2 0 331.451 2.392 10 0 EEAERP COc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)c1 ZINC001492302993 1331142102 /nfs/dbraw/zinc/14/21/02/1331142102.db2.gz GQJXVJHJIGTZKD-IEBWSBKVSA-N 2 0 345.487 2.260 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001492385536 1331203809 /nfs/dbraw/zinc/20/38/09/1331203809.db2.gz FLOWJKSGHHKBAU-YJBOKZPZSA-N 2 0 335.467 2.434 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001493255174 1331219002 /nfs/dbraw/zinc/21/90/02/1331219002.db2.gz PSMXDMKVEKHUMS-LSDHHAIUSA-N 2 0 338.883 2.013 10 0 EEAERP O=C(NCCC[N@@H+](Cc1cccc(F)c1)C1CC1)C12CC[NH+](CC1)C2 ZINC001316927507 1331994746 /nfs/dbraw/zinc/99/47/46/1331994746.db2.gz RRFYAHBVYKHVCP-UHFFFAOYSA-N 2 0 345.462 2.392 10 0 EEAERP O=C(C[NH+]1CCCC1)NCCC[N@@H+](CC1CC(F)(F)C1)C1CC1 ZINC001316928040 1331995380 /nfs/dbraw/zinc/99/53/80/1331995380.db2.gz XGWBCBFSZOKSNW-UHFFFAOYSA-N 2 0 329.435 2.098 10 0 EEAERP CCOCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100063 1332078886 /nfs/dbraw/zinc/07/88/86/1332078886.db2.gz MUBMHMZPXIABPI-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccc(OC)cc2)C1)[NH+](C)C ZINC001317325907 1332180225 /nfs/dbraw/zinc/18/02/25/1332180225.db2.gz JMICOPPJAPDNNI-PKOBYXMFSA-N 2 0 347.503 2.016 10 0 EEAERP CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317381699 1332207754 /nfs/dbraw/zinc/20/77/54/1332207754.db2.gz BQLDPBVSGFKJKD-SFHVURJKSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001317432594 1332236244 /nfs/dbraw/zinc/23/62/44/1332236244.db2.gz AZAZTLCIRKRMGT-GZTQLTBSSA-N 2 0 325.884 2.196 10 0 EEAERP Cc1cncc(C[N@@H+]2CCC[C@H]2CCCNC(=O)C[NH+]2CCCC2)c1 ZINC001317433795 1332237315 /nfs/dbraw/zinc/23/73/15/1332237315.db2.gz HCHLSNVPEVLJQQ-LJQANCHMSA-N 2 0 344.503 2.347 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)c1C ZINC001317595562 1332316288 /nfs/dbraw/zinc/31/62/88/1332316288.db2.gz YKEQTGAKXJLHDA-UHFFFAOYSA-N 2 0 333.476 2.036 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317619517 1332331018 /nfs/dbraw/zinc/33/10/18/1332331018.db2.gz BHPIWVQBOKBAJC-STQMWFEESA-N 2 0 336.307 2.103 10 0 EEAERP CCc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317644325 1332344951 /nfs/dbraw/zinc/34/49/51/1332344951.db2.gz WDDJNZTXUQGXQG-CRAIPNDOSA-N 2 0 348.491 2.110 10 0 EEAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317654929 1332351531 /nfs/dbraw/zinc/35/15/31/1332351531.db2.gz MSOINOSUXIBDGN-SJORKVTESA-N 2 0 332.492 2.058 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOC)CC1)c1ccccc1 ZINC001318979407 1332632037 /nfs/dbraw/zinc/63/20/37/1332632037.db2.gz PSWLMWJZRVBADE-FHWLQOOXSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)co1 ZINC001319787064 1332767430 /nfs/dbraw/zinc/76/74/30/1332767430.db2.gz DCZLCVWXONKSOQ-FUHWJXTLSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(-c2ccco2)on1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320517271 1332901638 /nfs/dbraw/zinc/90/16/38/1332901638.db2.gz LKNKTJOERWKTJL-UKRRQHHQSA-N 2 0 346.431 2.013 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001320570136 1332912654 /nfs/dbraw/zinc/91/26/54/1332912654.db2.gz NHWSFHIKCSMJGI-SJLPKXTDSA-N 2 0 349.523 2.150 10 0 EEAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC001414068657 1332980473 /nfs/dbraw/zinc/98/04/73/1332980473.db2.gz QTZYYVXIIQADBH-UHFFFAOYSA-N 2 0 328.460 2.376 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C1CC1 ZINC001320996430 1332993393 /nfs/dbraw/zinc/99/33/93/1332993393.db2.gz DVATWIDYGIQRDD-VZSQWMKGSA-N 2 0 327.472 2.420 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001320997755 1332994086 /nfs/dbraw/zinc/99/40/86/1332994086.db2.gz KWKSKIXEXSVVMT-HMECNJMJSA-N 2 0 345.487 2.038 10 0 EEAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC001322699876 1333309671 /nfs/dbraw/zinc/30/96/71/1333309671.db2.gz JHOKXXSWHDPGMS-HNNXBMFYSA-N 2 0 332.448 2.106 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCCCOC)C2 ZINC001323814374 1333545429 /nfs/dbraw/zinc/54/54/29/1333545429.db2.gz YZOURVVEKBQKMS-LJQANCHMSA-N 2 0 339.524 2.069 10 0 EEAERP CCOCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001324237000 1333640798 /nfs/dbraw/zinc/64/07/98/1333640798.db2.gz RYBOUPOPCRVIOW-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001324342733 1333661521 /nfs/dbraw/zinc/66/15/21/1333661521.db2.gz KTAXCPVNELQJLG-LXXRFIIISA-N 2 0 337.508 2.034 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC(F)(F)F)CC2)C1 ZINC001325678961 1333939477 /nfs/dbraw/zinc/93/94/77/1333939477.db2.gz FXJDYLMTFQYWDA-KKUMJFAQSA-N 2 0 349.441 2.403 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001326411405 1334087887 /nfs/dbraw/zinc/08/78/87/1334087887.db2.gz KZGLRRFRKGYVKP-IBGZPJMESA-N 2 0 341.499 2.153 10 0 EEAERP CCOCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001326482520 1334102440 /nfs/dbraw/zinc/10/24/40/1334102440.db2.gz XKNBZBCMGIEGPT-APWZRJJASA-N 2 0 347.503 2.474 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001329591883 1334680454 /nfs/dbraw/zinc/68/04/54/1334680454.db2.gz HRQUFBFJOYJPPT-QWHCGFSZSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001329845988 1334726101 /nfs/dbraw/zinc/72/61/01/1334726101.db2.gz NVYABTSIGFKFIA-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP CCOCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332826837 1335914442 /nfs/dbraw/zinc/91/44/42/1335914442.db2.gz QXWDVXDXBUWHBJ-CVEARBPZSA-N 2 0 327.513 2.018 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC001333365586 1336021909 /nfs/dbraw/zinc/02/19/09/1336021909.db2.gz KBNHNVJZMKPDBO-ZWKOTPCHSA-N 2 0 337.508 2.034 10 0 EEAERP CCCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000849113789 1339145684 /nfs/dbraw/zinc/14/56/84/1339145684.db2.gz JNNAYCUGRHYSKS-SFHVURJKSA-N 2 0 344.503 2.439 10 0 EEAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccccc1 ZINC001667508997 1355752972 /nfs/dbraw/zinc/75/29/72/1355752972.db2.gz STYUASZGWMTEMW-LJQANCHMSA-N 2 0 343.515 2.445 10 0 EEAERP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001668652320 1355979977 /nfs/dbraw/zinc/97/99/77/1355979977.db2.gz LTFCXWTYCKLWND-ZIAGYGMSSA-N 2 0 338.521 2.262 10 0 EEAERP CO[C@H](C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1)c1ccccc1 ZINC001445061314 1342079181 /nfs/dbraw/zinc/07/91/81/1342079181.db2.gz KZWYMISHCMRYTD-IEBWSBKVSA-N 2 0 347.503 2.106 10 0 EEAERP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCCCC(F)(F)F)C1 ZINC001500279249 1342129666 /nfs/dbraw/zinc/12/96/66/1342129666.db2.gz CRRPZUDEPSFWOD-OAHLLOKOSA-N 2 0 347.425 2.395 10 0 EEAERP CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001565112798 1342552810 /nfs/dbraw/zinc/55/28/10/1342552810.db2.gz XPZIUTFWWAUKKO-SFHVURJKSA-N 2 0 332.492 2.338 10 0 EEAERP Cc1ccc(C[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001566602547 1342575740 /nfs/dbraw/zinc/57/57/40/1342575740.db2.gz FFDJDUTVUYJTFG-SFHVURJKSA-N 2 0 344.503 2.121 10 0 EEAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001566630616 1342586076 /nfs/dbraw/zinc/58/60/76/1342586076.db2.gz SFUFKESATOGWRO-LJQANCHMSA-N 2 0 347.503 2.369 10 0 EEAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001570547660 1343081113 /nfs/dbraw/zinc/08/11/13/1343081113.db2.gz GTWVMKNOZYFWHB-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nocc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001676766704 1357196695 /nfs/dbraw/zinc/19/66/95/1357196695.db2.gz HSGFKSXIUQCSHP-GDBMZVCRSA-N 2 0 336.480 2.048 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCOCC)C(C)(C)C1 ZINC001677004576 1357260498 /nfs/dbraw/zinc/26/04/98/1357260498.db2.gz WKDLEALUKXFTKU-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCc2ccsc2)C1 ZINC001677445567 1357333061 /nfs/dbraw/zinc/33/30/61/1357333061.db2.gz WCBHAPZGBROAPG-KLAILNCOSA-N 2 0 335.517 2.211 10 0 EEAERP Cn1cc(-c2ccc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2)cn1 ZINC001647244340 1353204802 /nfs/dbraw/zinc/20/48/02/1353204802.db2.gz SGOIEKHUWZQROB-UHFFFAOYSA-N 2 0 340.471 2.384 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])nc2)CC1 ZINC001647247053 1353206060 /nfs/dbraw/zinc/20/60/60/1353206060.db2.gz AAGDSOWXJCCVBX-IAGOWNOFSA-N 2 0 345.491 2.068 10 0 EEAERP c1c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nnn1Cc1ccccc1 ZINC001651679938 1354060674 /nfs/dbraw/zinc/06/06/74/1354060674.db2.gz ZADOGOOARXYWDS-UHFFFAOYSA-N 2 0 348.454 2.480 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCOc3ccccc3)CCC2)C1 ZINC001673209551 1354183601 /nfs/dbraw/zinc/18/36/01/1354183601.db2.gz DLIVFGCGQLGVSR-QGZVFWFLSA-N 2 0 345.487 2.036 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@H]([NH2+]CCCO)C2)c1 ZINC001656908879 1354298232 /nfs/dbraw/zinc/29/82/32/1354298232.db2.gz LVSGMPKYGPJWJY-IBGZPJMESA-N 2 0 347.503 2.105 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)C[C@@H]1CCCOC1 ZINC001660322998 1354440460 /nfs/dbraw/zinc/44/04/60/1354440460.db2.gz YZMLOXLUYVIVTH-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncoc1C[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001660352886 1354446141 /nfs/dbraw/zinc/44/61/41/1354446141.db2.gz YKZVKMRDQKFVEW-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001661213263 1354608296 /nfs/dbraw/zinc/60/82/96/1354608296.db2.gz OHSJJXOSTYJORR-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001664008257 1355072611 /nfs/dbraw/zinc/07/26/11/1355072611.db2.gz FEIHNKJKUIATJV-OALUTQOASA-N 2 0 329.488 2.294 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCc2ccccc2)C1 ZINC001666140445 1355465094 /nfs/dbraw/zinc/46/50/94/1355465094.db2.gz UTBSCBXFDLWCSD-IBGZPJMESA-N 2 0 331.504 2.399 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cc(C)no2)CC1)[NH+](C)C ZINC001666256147 1355497035 /nfs/dbraw/zinc/49/70/35/1355497035.db2.gz CPYWCOSMVSEGRR-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2C)CC[N@@H+]1C ZINC001668066563 1355861172 /nfs/dbraw/zinc/86/11/72/1355861172.db2.gz XVTHUCPZYGOEHM-JCGIZDLHSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310040 1355921030 /nfs/dbraw/zinc/92/10/30/1355921030.db2.gz PQZPXTRERIHFJB-QWHCGFSZSA-N 2 0 341.858 2.415 10 0 EEAERP CCN(CC[NH2+]CCOc1cc(C)cc(C)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001668521168 1355956034 /nfs/dbraw/zinc/95/60/34/1355956034.db2.gz AKBRHFCEGHTJTH-LJQANCHMSA-N 2 0 347.503 2.215 10 0 EEAERP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001668605099 1355971679 /nfs/dbraw/zinc/97/16/79/1355971679.db2.gz OGUNIDZNQBCZHC-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001668899228 1356039767 /nfs/dbraw/zinc/03/97/67/1356039767.db2.gz JUZCSHOCWDQUHR-ARJAWSKDSA-N 2 0 339.399 2.015 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cnccc2C)C1 ZINC001668995260 1356063673 /nfs/dbraw/zinc/06/36/73/1356063673.db2.gz KDNCFBGGSDICBP-SHCNBLLESA-N 2 0 344.503 2.274 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001669020964 1356069817 /nfs/dbraw/zinc/06/98/17/1356069817.db2.gz MZZJVJBKOHCGTR-IHWYPQMZSA-N 2 0 333.451 2.260 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001669137562 1356103699 /nfs/dbraw/zinc/10/36/99/1356103699.db2.gz CVFCXUVGOIFFKF-INQOVCNISA-N 2 0 343.462 2.416 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669639321 1356188739 /nfs/dbraw/zinc/18/87/39/1356188739.db2.gz OEEPGEPUMMJJEI-XQQFMLRXSA-N 2 0 336.307 2.149 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669712178 1356197831 /nfs/dbraw/zinc/19/78/31/1356197831.db2.gz XUYWLSVRPIQXQK-KRWDZBQOSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001669867380 1356228349 /nfs/dbraw/zinc/22/83/49/1356228349.db2.gz FDUPQPAXIDUURO-HIFRSBDPSA-N 2 0 338.883 2.156 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672536835 1356548405 /nfs/dbraw/zinc/54/84/05/1356548405.db2.gz DWCGSVJCHVFRQY-DLBZAZTESA-N 2 0 348.491 2.280 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001672917427 1356614572 /nfs/dbraw/zinc/61/45/72/1356614572.db2.gz WMMANSULDLSWEB-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)CC1 ZINC001692329638 1405003738 /nfs/dbraw/zinc/00/37/38/1405003738.db2.gz KBYLMAYJNMTKLW-QGZVFWFLSA-N 2 0 327.488 2.439 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698755910 1405045295 /nfs/dbraw/zinc/04/52/95/1405045295.db2.gz VSCUNIJDTDTLGX-DZGCQCFKSA-N 2 0 338.883 2.061 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698860868 1405116817 /nfs/dbraw/zinc/11/68/17/1405116817.db2.gz MBSRYZSFLRHKHT-CYBMUJFWSA-N 2 0 326.872 2.012 10 0 EEAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699106866 1405262635 /nfs/dbraw/zinc/26/26/35/1405262635.db2.gz PLHZUBVICXUMBY-MAUKXSAKSA-N 2 0 348.491 2.374 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001699855080 1405529098 /nfs/dbraw/zinc/52/90/98/1405529098.db2.gz ZENCUPVQNWXLNP-HKUYNNGSSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921438377 773374203 /nfs/dbraw/zinc/37/42/03/773374203.db2.gz ZMOLTCHOKFPDTC-MSOLQXFVSA-N 2 0 347.507 2.248 10 0 EEAERP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925850521 779572877 /nfs/dbraw/zinc/57/28/77/779572877.db2.gz IQNWBZDABUUNOW-YPMHNXCESA-N 2 0 337.489 2.350 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]CCCc2c(C)noc2C)CC[NH2+]CC1 ZINC000817900655 785055277 /nfs/dbraw/zinc/05/52/77/785055277.db2.gz UWYXLUNLPCEZPJ-HNNXBMFYSA-N 2 0 337.464 2.135 10 0 EEAERP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000819015189 785383456 /nfs/dbraw/zinc/38/34/56/785383456.db2.gz DYZMDVMPRASLHS-LJQANCHMSA-N 2 0 347.434 2.374 10 0 EEAERP COc1ccc(OC)c([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000325150559 785838332 /nfs/dbraw/zinc/83/83/32/785838332.db2.gz OGWNUVJFAKYNFT-KRWWSPQJSA-N 2 0 334.460 2.342 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)N1CC[NH+](C)CC1 ZINC000921520535 788801338 /nfs/dbraw/zinc/80/13/38/788801338.db2.gz IVQLLCXGCBKNAH-HNNXBMFYSA-N 2 0 339.915 2.302 10 0 EEAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(N2CCCC2)cc1 ZINC000844225229 788917286 /nfs/dbraw/zinc/91/72/86/788917286.db2.gz LYVWYDKIFZPIPA-CALCHBBNSA-N 2 0 342.487 2.157 10 0 EEAERP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923282833 789296584 /nfs/dbraw/zinc/29/65/84/789296584.db2.gz YMQWWLRAIVXIJI-NWDGAFQWSA-N 2 0 333.259 2.404 10 0 EEAERP CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318295 789360037 /nfs/dbraw/zinc/36/00/37/789360037.db2.gz YSNCCLYKXREGMM-QZTJIDSGSA-N 2 0 336.451 2.196 10 0 EEAERP Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923367757 789445115 /nfs/dbraw/zinc/44/51/15/789445115.db2.gz XGEASJQKXVRQHZ-QAPCUYQASA-N 2 0 338.879 2.464 10 0 EEAERP CCOCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000923403482 789504442 /nfs/dbraw/zinc/50/44/42/789504442.db2.gz QUZLGPHHJSZQAC-MJGOQNOKSA-N 2 0 330.472 2.391 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1nccn1Cc1ccccc1)CC2 ZINC000923452781 789586583 /nfs/dbraw/zinc/58/65/83/789586583.db2.gz XCYLDDZKIFPLRA-SFHVURJKSA-N 2 0 340.471 2.261 10 0 EEAERP C[C@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC000923511141 789697628 /nfs/dbraw/zinc/69/76/28/789697628.db2.gz ZPIILDSLYSICLC-PXNSSMCTSA-N 2 0 343.515 2.384 10 0 EEAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(Cl)n[nH]c3C3CC3)C2)CC1 ZINC000921734354 795643493 /nfs/dbraw/zinc/64/34/93/795643493.db2.gz VQAGVKBJVYGQOE-ZDUSSCGKSA-N 2 0 337.899 2.199 10 0 EEAERP CN1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1=O ZINC000716673603 796405770 /nfs/dbraw/zinc/40/57/70/796405770.db2.gz PBQJBXNEUNAPTK-OKYOBFRVSA-N 2 0 327.472 2.250 10 0 EEAERP COC(=O)N(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731655 796449095 /nfs/dbraw/zinc/44/90/95/796449095.db2.gz MCXVRSHUSQFGSD-KSZLIROESA-N 2 0 331.460 2.327 10 0 EEAERP C[NH+](C)CC[C@@H](NCc1ccnn1-c1cc[nH+]cc1)c1cccnc1 ZINC000922630752 801547821 /nfs/dbraw/zinc/54/78/21/801547821.db2.gz BCQBBKMZPWGWHE-LJQANCHMSA-N 2 0 336.443 2.445 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000922814378 801964048 /nfs/dbraw/zinc/96/40/48/801964048.db2.gz SFVNDMFFVVGWMY-IBGZPJMESA-N 2 0 348.487 2.445 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000794339883 810780822 /nfs/dbraw/zinc/78/08/22/810780822.db2.gz SIVARECTNAAWBF-UHFFFAOYSA-N 2 0 346.475 2.005 10 0 EEAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)Cc2cccc(N(C)C)c2)CC[N@@H+]1C ZINC001566457011 1125616098 /nfs/dbraw/zinc/61/60/98/1125616098.db2.gz PNIIKTRWSCHOAG-VQIMIIECSA-N 2 0 346.519 2.031 10 0 EEAERP Cc1noc(C)c1C[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001566518324 1125690402 /nfs/dbraw/zinc/69/04/02/1125690402.db2.gz DGQAULLXWOOCTE-OKILXGFUSA-N 2 0 336.480 2.102 10 0 EEAERP CCO[C@@H](C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1)C1CC1 ZINC001436700571 1088164499 /nfs/dbraw/zinc/16/44/99/1088164499.db2.gz MZYDJICHFVBHSW-SFHVURJKSA-N 2 0 339.524 2.065 10 0 EEAERP COc1cccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001436846670 1088486010 /nfs/dbraw/zinc/48/60/10/1088486010.db2.gz UUZBDPAXCHRNBX-SFHVURJKSA-N 2 0 347.503 2.317 10 0 EEAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cn1)[NH+](C)C ZINC001436932044 1088601491 /nfs/dbraw/zinc/60/14/91/1088601491.db2.gz JFOKMBFXEYWXKF-HQSKLWIPSA-N 2 0 348.466 2.173 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[NH+]1CCCCC1 ZINC001436978096 1088675108 /nfs/dbraw/zinc/67/51/08/1088675108.db2.gz NTWNVVUYCCMBES-OTWHNJEPSA-N 2 0 344.503 2.329 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001437199461 1089259729 /nfs/dbraw/zinc/25/97/29/1089259729.db2.gz MKRYRQIRIZGFSF-HNNXBMFYSA-N 2 0 332.492 2.141 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC001437310723 1089470914 /nfs/dbraw/zinc/47/09/14/1089470914.db2.gz KYDFTVDIEYRULI-LBPRGKRZSA-N 2 0 329.897 2.291 10 0 EEAERP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001437326347 1089494387 /nfs/dbraw/zinc/49/43/87/1089494387.db2.gz KGFHIALSXSHSCY-ZWKOTPCHSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccn1 ZINC001437379662 1089625067 /nfs/dbraw/zinc/62/50/67/1089625067.db2.gz JNGJJBKARYXSBQ-VQIMIIECSA-N 2 0 344.503 2.473 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001437385099 1089636861 /nfs/dbraw/zinc/63/68/61/1089636861.db2.gz PLWQBACUHAXJLH-CZUORRHYSA-N 2 0 338.521 2.310 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001437659608 1090189152 /nfs/dbraw/zinc/18/91/52/1090189152.db2.gz MJRBTZUSCBUHSQ-SJORKVTESA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001437925234 1090517939 /nfs/dbraw/zinc/51/79/39/1090517939.db2.gz PVMLHPJFSFRWNE-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCF)C1 ZINC001437945892 1090542597 /nfs/dbraw/zinc/54/25/97/1090542597.db2.gz MFXNNDIKIZFZFK-IRXDYDNUSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001437982883 1090575613 /nfs/dbraw/zinc/57/56/13/1090575613.db2.gz VTWPRANFTRUCIT-QLFBSQMISA-N 2 0 349.441 2.449 10 0 EEAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001438181920 1090686961 /nfs/dbraw/zinc/68/69/61/1090686961.db2.gz XYPHPSFXXDAKSB-GBESFXJTSA-N 2 0 349.519 2.107 10 0 EEAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1cnccc1C ZINC001438377677 1090859524 /nfs/dbraw/zinc/85/95/24/1090859524.db2.gz QHIFVVPLDMRGNW-MOPGFXCFSA-N 2 0 346.519 2.495 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](C/C=C\Cl)C2)CC1 ZINC001438463463 1090970708 /nfs/dbraw/zinc/97/07/08/1090970708.db2.gz BSRWGLQCUHCTPX-YWEYNIOJSA-N 2 0 327.900 2.394 10 0 EEAERP Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001438760781 1091327611 /nfs/dbraw/zinc/32/76/11/1091327611.db2.gz ALLQNNNALMMRQJ-QAPCUYQASA-N 2 0 332.492 2.057 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001438771349 1091356232 /nfs/dbraw/zinc/35/62/32/1091356232.db2.gz ORXPZLRGNIRUFB-CKMOMWRASA-N 2 0 336.307 2.472 10 0 EEAERP Cc1nocc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001438777931 1091371970 /nfs/dbraw/zinc/37/19/70/1091371970.db2.gz YTMRIWFEBPFDTE-GOEBONIOSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445599439 1091394277 /nfs/dbraw/zinc/39/42/77/1091394277.db2.gz NOZGZKXCACRNIA-JYJNAYRXSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H](C[NH2+]Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439109536 1091754894 /nfs/dbraw/zinc/75/48/94/1091754894.db2.gz PHHPFSWFHGHONE-MGPQQGTHSA-N 2 0 346.500 2.231 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001439125588 1091769656 /nfs/dbraw/zinc/76/96/56/1091769656.db2.gz YXUDMJUQPFYLOH-IUODEOHRSA-N 2 0 338.521 2.229 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)NC(=O)C1CC[NH+](C)CC1 ZINC001439147903 1091789588 /nfs/dbraw/zinc/78/95/88/1091789588.db2.gz IYTXXRJQIAXTAS-SJORKVTESA-N 2 0 343.515 2.228 10 0 EEAERP Cc1cccc(CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001445877599 1091805142 /nfs/dbraw/zinc/80/51/42/1091805142.db2.gz YTSHQXLUZBAWII-PKOBYXMFSA-N 2 0 331.504 2.316 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1Cl ZINC001439164597 1091810472 /nfs/dbraw/zinc/81/04/72/1091810472.db2.gz XPQWJYMLNBWOLG-GFCCVEGCSA-N 2 0 329.847 2.415 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439322557 1091996909 /nfs/dbraw/zinc/99/69/09/1091996909.db2.gz CVZHRLIQAWMEOI-IIDMSEBBSA-N 2 0 335.467 2.433 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001446017059 1092001609 /nfs/dbraw/zinc/00/16/09/1092001609.db2.gz PCAOAMCZQOXMHF-ROUUACIJSA-N 2 0 348.491 2.088 10 0 EEAERP CC(C)c1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)n1 ZINC001439398258 1092150846 /nfs/dbraw/zinc/15/08/46/1092150846.db2.gz JGAHSZCGQKXZHN-IAGOWNOFSA-N 2 0 346.519 2.483 10 0 EEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CC[NH+](C)C)c2)C1 ZINC001446141288 1092188013 /nfs/dbraw/zinc/18/80/13/1092188013.db2.gz PBASRJDNYHCFJH-GOSISDBHSA-N 2 0 331.504 2.498 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ccccc1F ZINC001446168092 1092222804 /nfs/dbraw/zinc/22/28/04/1092222804.db2.gz OFSXFFILQYVLOZ-IIAWOOMASA-N 2 0 333.451 2.465 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1ccc(OC)cc1 ZINC001439515942 1092361429 /nfs/dbraw/zinc/36/14/29/1092361429.db2.gz QMUQJWSFZFXFOB-HKUYNNGSSA-N 2 0 347.503 2.364 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC001439570777 1092458705 /nfs/dbraw/zinc/45/87/05/1092458705.db2.gz NDEHVCRRLXFBFB-SFHVURJKSA-N 2 0 327.472 2.350 10 0 EEAERP Cc1ccccc1CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001439574964 1092466366 /nfs/dbraw/zinc/46/63/66/1092466366.db2.gz YRIFKQBFFUCTQP-IBGZPJMESA-N 2 0 329.488 2.214 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)ns2)CC1 ZINC001439609924 1092517549 /nfs/dbraw/zinc/51/75/49/1092517549.db2.gz FAOJCHQMBCSFHQ-HNNXBMFYSA-N 2 0 336.505 2.064 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)C1CCC1 ZINC001439622229 1092532546 /nfs/dbraw/zinc/53/25/46/1092532546.db2.gz PNBFUVJRMTXZMV-CYBMUJFWSA-N 2 0 329.435 2.145 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC[C@H](C)F)CC2 ZINC001446331748 1092537180 /nfs/dbraw/zinc/53/71/80/1092537180.db2.gz QELCXCQPJDZJFJ-INIZCTEOSA-N 2 0 327.488 2.389 10 0 EEAERP O=C(NCC1([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001439632889 1092552151 /nfs/dbraw/zinc/55/21/51/1092552151.db2.gz CQPNRNOANVPXHA-WMZOPIPTSA-N 2 0 349.519 2.058 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001439678228 1092618944 /nfs/dbraw/zinc/61/89/44/1092618944.db2.gz RGFJQWKIPVFHKM-SJORKVTESA-N 2 0 337.508 2.058 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001439780293 1092736472 /nfs/dbraw/zinc/73/64/72/1092736472.db2.gz ZVOYOSDBRXVHSR-STQMWFEESA-N 2 0 346.302 2.370 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)CC1 ZINC001440130052 1093194245 /nfs/dbraw/zinc/19/42/45/1093194245.db2.gz XGNIPTXRLWUYNN-IYARVYRRSA-N 2 0 344.503 2.190 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CC(F)(F)C2)CC1(C)C ZINC001448398360 1093401224 /nfs/dbraw/zinc/40/12/24/1093401224.db2.gz BGKQIRWXCXHACB-AWEZNQCLSA-N 2 0 331.451 2.200 10 0 EEAERP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@@]1(C)C[N@H+](CCF)C2 ZINC001448482463 1093506981 /nfs/dbraw/zinc/50/69/81/1093506981.db2.gz OWICLGFFUGNPPU-HDICACEKSA-N 2 0 325.472 2.002 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](F)CC)C2)C1 ZINC001448511819 1093538151 /nfs/dbraw/zinc/53/81/51/1093538151.db2.gz SIASLOVDRUFUGR-WCXIOVBPSA-N 2 0 327.488 2.341 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001448574882 1093624792 /nfs/dbraw/zinc/62/47/92/1093624792.db2.gz OWARHBHMRNFKII-ROUUACIJSA-N 2 0 333.520 2.488 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001448649539 1093714846 /nfs/dbraw/zinc/71/48/46/1093714846.db2.gz LSOHYXVMQRFVJF-ZYSHUDEJSA-N 2 0 347.503 2.362 10 0 EEAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001440483568 1093716118 /nfs/dbraw/zinc/71/61/18/1093716118.db2.gz QHSLCDLRWXCWFB-HUUCEWRRSA-N 2 0 336.480 2.136 10 0 EEAERP C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@H]1CCOC1 ZINC001448707271 1093773891 /nfs/dbraw/zinc/77/38/91/1093773891.db2.gz WXHSMOHRZSSTDA-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP CCC1([NH2+]Cc2ncc(C)o2)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001440533832 1093795990 /nfs/dbraw/zinc/79/59/90/1093795990.db2.gz UTIHRLYSBYOSOA-OAHLLOKOSA-N 2 0 348.491 2.186 10 0 EEAERP C[N@H+](CCc1ccccc1)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001440728694 1093974184 /nfs/dbraw/zinc/97/41/84/1093974184.db2.gz CAXUTPBQCIGGRN-RBUKOAKNSA-N 2 0 329.488 2.104 10 0 EEAERP COCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001440740478 1093989311 /nfs/dbraw/zinc/98/93/11/1093989311.db2.gz SHOWVALSKJBSLE-IBGZPJMESA-N 2 0 347.503 2.208 10 0 EEAERP CCc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440813282 1094065933 /nfs/dbraw/zinc/06/59/33/1094065933.db2.gz CREUTJMYKHSUBQ-ZIAGYGMSSA-N 2 0 336.480 2.094 10 0 EEAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCCC2)on1 ZINC001440858569 1094119725 /nfs/dbraw/zinc/11/97/25/1094119725.db2.gz MVOLZUISWGKWMS-CVEARBPZSA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001449369232 1094337373 /nfs/dbraw/zinc/33/73/73/1094337373.db2.gz DSKATJDQLZJHOL-AWEZNQCLSA-N 2 0 348.491 2.220 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1 ZINC001449373175 1094343220 /nfs/dbraw/zinc/34/32/20/1094343220.db2.gz WBBAXYJHVAJRNT-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2cnoc2C)CC1 ZINC001441168408 1094520926 /nfs/dbraw/zinc/52/09/26/1094520926.db2.gz QINXOKGGLJYDNR-UHFFFAOYSA-N 2 0 348.491 2.282 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)c1 ZINC001441170702 1094522852 /nfs/dbraw/zinc/52/28/52/1094522852.db2.gz BXUASIKMEVWGFN-MOPGFXCFSA-N 2 0 329.488 2.382 10 0 EEAERP C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(C/C=C/Cl)C1 ZINC001441181410 1094536283 /nfs/dbraw/zinc/53/62/83/1094536283.db2.gz DGJGYLWODKDPPE-IGJNKPTASA-N 2 0 345.890 2.388 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccnc2C)C2CC2)CC[N@@H+]1C ZINC001441201835 1094563385 /nfs/dbraw/zinc/56/33/85/1094563385.db2.gz WXVLQYOPFVTJDY-IPMKNSEASA-N 2 0 344.503 2.105 10 0 EEAERP Cc1ncccc1C[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001441334226 1094803580 /nfs/dbraw/zinc/80/35/80/1094803580.db2.gz LSLQWFQAYYPXAZ-BGYRXZFFSA-N 2 0 344.503 2.012 10 0 EEAERP Cc1cccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441544684 1095268389 /nfs/dbraw/zinc/26/83/89/1095268389.db2.gz BXXMPWHOXCAJHV-SCTDSRPQSA-N 2 0 344.503 2.247 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001441578028 1095371795 /nfs/dbraw/zinc/37/17/95/1095371795.db2.gz XIGYVUHIFDGBDI-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1C ZINC001441858578 1095955554 /nfs/dbraw/zinc/95/55/54/1095955554.db2.gz HSIQEEZPFOKYKQ-YJBOKZPZSA-N 2 0 347.503 2.472 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1C ZINC001441930959 1096118829 /nfs/dbraw/zinc/11/88/29/1096118829.db2.gz OIRBNSMMGWMYLW-WMZOPIPTSA-N 2 0 347.503 2.330 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1conc1C)c1ccccc1 ZINC001442021579 1096229006 /nfs/dbraw/zinc/22/90/06/1096229006.db2.gz QSJOWERCWVMCNI-KDOFPFPSSA-N 2 0 344.459 2.270 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CC[NH+]1CCCCC1 ZINC001442188011 1096460285 /nfs/dbraw/zinc/46/02/85/1096460285.db2.gz ZVFFXAQDPZDFLV-SJORKVTESA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001442196183 1096474241 /nfs/dbraw/zinc/47/42/41/1096474241.db2.gz QAAYAHFMCUYUDD-UONOGXRCSA-N 2 0 339.430 2.434 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001442219468 1096514384 /nfs/dbraw/zinc/51/43/84/1096514384.db2.gz AFTPETLLRNSTAP-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001442290120 1096604302 /nfs/dbraw/zinc/60/43/02/1096604302.db2.gz SOHIMVQIHAUWKG-ZDUSSCGKSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H]1CCc2ccccc2C1 ZINC001442742453 1097117075 /nfs/dbraw/zinc/11/70/75/1097117075.db2.gz CJEMTZVVBBXVLA-FXAWDEMLSA-N 2 0 343.515 2.181 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001443031914 1097440137 /nfs/dbraw/zinc/44/01/37/1097440137.db2.gz JHMIRCWJRJDTAY-WMZOPIPTSA-N 2 0 329.488 2.498 10 0 EEAERP C[N@H+](CC=C(Cl)Cl)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443352593 1097877271 /nfs/dbraw/zinc/87/72/71/1097877271.db2.gz WQDIOCFLUIRXCC-STQMWFEESA-N 2 0 334.291 2.037 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccn(CC)n1 ZINC001444000340 1098514245 /nfs/dbraw/zinc/51/42/45/1098514245.db2.gz HLBLCIHHTMTEJR-FUHWJXTLSA-N 2 0 349.523 2.150 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cccc(COC)c1 ZINC001479640958 1098669418 /nfs/dbraw/zinc/66/94/18/1098669418.db2.gz GINLMYKGBVINFB-RBUKOAKNSA-N 2 0 347.503 2.254 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)o1 ZINC001444142320 1098682132 /nfs/dbraw/zinc/68/21/32/1098682132.db2.gz PTFYTPJZZSCEIT-SFHVURJKSA-N 2 0 336.480 2.006 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001444173185 1098724293 /nfs/dbraw/zinc/72/42/93/1098724293.db2.gz UEXCFUDIGPRLIS-ZHALLVOQSA-N 2 0 344.503 2.473 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444322082 1098883603 /nfs/dbraw/zinc/88/36/03/1098883603.db2.gz KWCKVLPNSPACDA-OAHLLOKOSA-N 2 0 349.523 2.099 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479748127 1098890838 /nfs/dbraw/zinc/89/08/38/1098890838.db2.gz OBBXESUATXEKTL-MRXNPFEDSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479772846 1098946235 /nfs/dbraw/zinc/94/62/35/1098946235.db2.gz ZGPIAYLLFKAZPO-MVHVFESUSA-N 2 0 341.499 2.480 10 0 EEAERP CCn1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001444382731 1098967569 /nfs/dbraw/zinc/96/75/69/1098967569.db2.gz ULVBAFGKAJKNPV-WMZOPIPTSA-N 2 0 349.523 2.008 10 0 EEAERP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001444384157 1098969590 /nfs/dbraw/zinc/96/95/90/1098969590.db2.gz KAYDYNVAOSUGBP-BQFCYCMXSA-N 2 0 347.503 2.267 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001444394978 1098989573 /nfs/dbraw/zinc/98/95/73/1098989573.db2.gz ZVFDZCPMEODLOZ-KGLIPLIRSA-N 2 0 332.448 2.182 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccc(F)cn3)CCCC2)C1 ZINC001444534675 1099305517 /nfs/dbraw/zinc/30/55/17/1099305517.db2.gz MPXLOWWJBHVQMY-OAHLLOKOSA-N 2 0 348.466 2.081 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cncc(F)c2)CCCC1 ZINC001444537421 1099311629 /nfs/dbraw/zinc/31/16/29/1099311629.db2.gz SPSHTRADMXRNOY-UHFFFAOYSA-N 2 0 336.455 2.081 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2nccs2)C1 ZINC001444669413 1099509749 /nfs/dbraw/zinc/50/97/49/1099509749.db2.gz HBAPYUVMXDIPJV-CABCVRRESA-N 2 0 338.521 2.202 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001480051022 1099560246 /nfs/dbraw/zinc/56/02/46/1099560246.db2.gz MZBGEXJNYSHDKJ-OALUTQOASA-N 2 0 344.503 2.329 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001444784044 1099691550 /nfs/dbraw/zinc/69/15/50/1099691550.db2.gz LDKDSRBURILOJP-HUUCEWRRSA-N 2 0 344.459 2.106 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CC[NH+](C)CCF)CC1 ZINC001444834989 1099789364 /nfs/dbraw/zinc/78/93/64/1099789364.db2.gz IZNFLBOBVDJLNY-IYBDPMFKSA-N 2 0 327.488 2.389 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C)c(C)o1 ZINC001444926796 1100022266 /nfs/dbraw/zinc/02/22/66/1100022266.db2.gz ZJMXAKIJEKHEAY-WBVHZDCISA-N 2 0 338.496 2.108 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001444928877 1100026798 /nfs/dbraw/zinc/02/67/98/1100026798.db2.gz JLIWKBMACHLBNY-PMACEKPBSA-N 2 0 343.515 2.357 10 0 EEAERP Cc1nc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c(C)s1 ZINC001444932855 1100036753 /nfs/dbraw/zinc/03/67/53/1100036753.db2.gz NMUDFGVJGVSBDU-HNNXBMFYSA-N 2 0 338.521 2.086 10 0 EEAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001444941903 1100056214 /nfs/dbraw/zinc/05/62/14/1100056214.db2.gz YFPJRRPSYVCYOH-OALUTQOASA-N 2 0 331.504 2.301 10 0 EEAERP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444986078 1100114150 /nfs/dbraw/zinc/11/41/50/1100114150.db2.gz FVMHRXGZJHDDTF-VQIMIIECSA-N 2 0 329.488 2.480 10 0 EEAERP CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001480412322 1100231095 /nfs/dbraw/zinc/23/10/95/1100231095.db2.gz GJPISVZOMVJXHU-JCYILVPMSA-N 2 0 327.488 2.483 10 0 EEAERP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnoc1C)c1ccccc1 ZINC001480570199 1100414108 /nfs/dbraw/zinc/41/41/08/1100414108.db2.gz RWCKPHPEKMBKRW-KSSFIOAISA-N 2 0 344.459 2.270 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445366536 1100602619 /nfs/dbraw/zinc/60/26/19/1100602619.db2.gz MQXFLFYAUQDMQE-YPMHNXCESA-N 2 0 341.908 2.338 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001496209529 1100753922 /nfs/dbraw/zinc/75/39/22/1100753922.db2.gz YWMSKZUALUYMEM-CQSZACIVSA-N 2 0 348.491 2.042 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496251087 1100819863 /nfs/dbraw/zinc/81/98/63/1100819863.db2.gz SXPAFIVCAICIGS-RHSMWYFYSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1ncc(C[NH2+]CC2(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CCCC2)o1 ZINC001495212716 1100895584 /nfs/dbraw/zinc/89/55/84/1100895584.db2.gz XEOJUZNULLQFDU-GJZGRUSLSA-N 2 0 348.491 2.374 10 0 EEAERP CCc1nc(C)c(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC001495230925 1100921288 /nfs/dbraw/zinc/92/12/88/1100921288.db2.gz CRDFRVUDBVJDGC-HNAYVOBHSA-N 2 0 348.491 2.014 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495251873 1100948010 /nfs/dbraw/zinc/94/80/10/1100948010.db2.gz XKHBECGPTQDIRH-AZUAARDMSA-N 2 0 344.503 2.329 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl ZINC001496397712 1100990959 /nfs/dbraw/zinc/99/09/59/1100990959.db2.gz ZNTUDVJHTSKRSH-UCYIYVBKSA-N 2 0 339.911 2.442 10 0 EEAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496416116 1101010171 /nfs/dbraw/zinc/01/01/71/1101010171.db2.gz JDYWNUFCZUOLJY-ZWKOTPCHSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)oc1C ZINC001496416995 1101010651 /nfs/dbraw/zinc/01/06/51/1101010651.db2.gz YBTFHDBLGNOQLC-INIZCTEOSA-N 2 0 336.480 2.104 10 0 EEAERP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449640 1101042003 /nfs/dbraw/zinc/04/20/03/1101042003.db2.gz PCDWREBAIWERNL-GDBMZVCRSA-N 2 0 348.491 2.220 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001495374136 1101090038 /nfs/dbraw/zinc/09/00/38/1101090038.db2.gz MAGMQJQFBRXANE-WMZOPIPTSA-N 2 0 348.491 2.186 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001495427383 1101144440 /nfs/dbraw/zinc/14/44/40/1101144440.db2.gz CVZVEWLVKIAIEC-UHFFFAOYSA-N 2 0 336.307 2.475 10 0 EEAERP Cc1ncccc1C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001496586845 1101188437 /nfs/dbraw/zinc/18/84/37/1101188437.db2.gz UBQPIJNEYJVPGX-SFHVURJKSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]Cc1cncs1 ZINC001495760996 1101548782 /nfs/dbraw/zinc/54/87/82/1101548782.db2.gz DGHZPLHSMIJCKM-AWEZNQCLSA-N 2 0 346.500 2.360 10 0 EEAERP CN(CC[N@H+](C)CC[C@@H]1CCCC1(F)F)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496836913 1101567362 /nfs/dbraw/zinc/56/73/62/1101567362.db2.gz WDODYWCHLHTPEJ-CABCVRRESA-N 2 0 331.451 2.154 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CCN(C)Cc1nc2ccccc2o1 ZINC001496845396 1101589474 /nfs/dbraw/zinc/58/94/74/1101589474.db2.gz QIBHKZUSCSQIJV-UHFFFAOYSA-N 2 0 332.448 2.058 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001495813122 1101630351 /nfs/dbraw/zinc/63/03/51/1101630351.db2.gz LMRLDBNCURDNSW-CXAGYDPISA-N 2 0 336.480 2.008 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1nocc1C ZINC001446949298 1101641804 /nfs/dbraw/zinc/64/18/04/1101641804.db2.gz AEMJZRZUNIEDHP-BJWYYQGGSA-N 2 0 348.491 2.184 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001446953392 1101646858 /nfs/dbraw/zinc/64/68/58/1101646858.db2.gz WDZLZVHFDBXHHX-HOCLYGCPSA-N 2 0 348.491 2.219 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC2(C[NH+](CC[C@H](C)F)C2)CC1 ZINC001495974217 1101872128 /nfs/dbraw/zinc/87/21/28/1101872128.db2.gz PCUILVZCNLGXMG-HOTGVXAUSA-N 2 0 345.478 2.339 10 0 EEAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496060345 1101994258 /nfs/dbraw/zinc/99/42/58/1101994258.db2.gz FNFCZXJPTMNCLQ-OGHNNQOOSA-N 2 0 339.430 2.242 10 0 EEAERP C[C@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)N(C)C(=O)Cc1ncc[nH]1 ZINC001496194337 1102200828 /nfs/dbraw/zinc/20/08/28/1102200828.db2.gz UAROAVSGCSGMNE-BDJLRTHQSA-N 2 0 348.397 2.354 10 0 EEAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001496196337 1102203704 /nfs/dbraw/zinc/20/37/04/1102203704.db2.gz PGKPPSKGPWMLBQ-OAHLLOKOSA-N 2 0 330.476 2.446 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CC2CCOCC2)C1 ZINC001497257308 1102205721 /nfs/dbraw/zinc/20/57/21/1102205721.db2.gz WHZHJLURXRHQKG-AEFFLSMTSA-N 2 0 339.524 2.019 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1COC2(C[NH+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001447391584 1102580658 /nfs/dbraw/zinc/58/06/58/1102580658.db2.gz ZHRYGSWDGOFILP-SJORKVTESA-N 2 0 339.524 2.112 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2Cc3ccccc3C[NH+]2CCCF)C1 ZINC001447431575 1102643573 /nfs/dbraw/zinc/64/35/73/1102643573.db2.gz OTPOLPDAWAQETQ-QFBILLFUSA-N 2 0 347.478 2.231 10 0 EEAERP CCC(CC)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001447492298 1102739966 /nfs/dbraw/zinc/73/99/66/1102739966.db2.gz LZVWOWQKNZDTMZ-INIZCTEOSA-N 2 0 339.524 2.019 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001447559652 1102860547 /nfs/dbraw/zinc/86/05/47/1102860547.db2.gz BZPOVCHJMCYQDC-BEFAXECRSA-N 2 0 342.487 2.445 10 0 EEAERP COc1cccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C ZINC001497677812 1102886717 /nfs/dbraw/zinc/88/67/17/1102886717.db2.gz AVXZDSGCZKNZSU-DWTRPJMMSA-N 2 0 345.487 2.107 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC001447571810 1102889028 /nfs/dbraw/zinc/88/90/28/1102889028.db2.gz TZYNGWVQPSPAHM-GUYCJALGSA-N 2 0 339.430 2.242 10 0 EEAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CCc2ccccc2)CC1 ZINC001497691162 1102911621 /nfs/dbraw/zinc/91/16/21/1102911621.db2.gz KGEBWUUTWXRQBQ-WAYWQWQTSA-N 2 0 329.488 2.223 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497817005 1103144818 /nfs/dbraw/zinc/14/48/18/1103144818.db2.gz KSYUXGCNICFCHQ-APWZRJJASA-N 2 0 329.488 2.240 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCOCC1 ZINC001497843741 1103181666 /nfs/dbraw/zinc/18/16/66/1103181666.db2.gz YERWVMPXUVYAKQ-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP C[N@H+](CCc1cccs1)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001447766493 1103266394 /nfs/dbraw/zinc/26/63/94/1103266394.db2.gz HLJIEILHIJVGPI-HZPDHXFCSA-N 2 0 335.517 2.165 10 0 EEAERP Cc1cc(C[NH+]2CC[C@H](CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001494044463 1103418294 /nfs/dbraw/zinc/41/82/94/1103418294.db2.gz WFXMOXGFAHFCOU-ULQDDVLXSA-N 2 0 348.491 2.042 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497963593 1103424594 /nfs/dbraw/zinc/42/45/94/1103424594.db2.gz ZRNZTXJAKLVCFU-NEPJUHHUSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001447929512 1103622511 /nfs/dbraw/zinc/62/25/11/1103622511.db2.gz GAAQZKDOLFMRCT-CABCVRRESA-N 2 0 336.480 2.232 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc2ncccc2c1 ZINC001448143126 1104099842 /nfs/dbraw/zinc/09/98/42/1104099842.db2.gz CQQLQUXWPVJTNA-CRAIPNDOSA-N 2 0 340.471 2.123 10 0 EEAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001495057500 1104695429 /nfs/dbraw/zinc/69/54/29/1104695429.db2.gz HIZAZDQXJYPIMX-WBVHZDCISA-N 2 0 335.467 2.194 10 0 EEAERP CC(C)c1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001480700038 1106910528 /nfs/dbraw/zinc/91/05/28/1106910528.db2.gz CMLXDVUBFZBOMY-CABCVRRESA-N 2 0 336.480 2.267 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001480709181 1106930128 /nfs/dbraw/zinc/93/01/28/1106930128.db2.gz JQIBIOMUWFWSGQ-GJZGRUSLSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)s1 ZINC001498198380 1107068351 /nfs/dbraw/zinc/06/83/51/1107068351.db2.gz KASXPYVSACDJEA-XJKSGUPXSA-N 2 0 338.521 2.166 10 0 EEAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001498591204 1107774885 /nfs/dbraw/zinc/77/48/85/1107774885.db2.gz ARUJJXWKBQAJJL-UHFFFAOYSA-N 2 0 336.455 2.033 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498620332 1107824100 /nfs/dbraw/zinc/82/41/00/1107824100.db2.gz CPGDGOMYAKHRCL-OAHLLOKOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001498859432 1108234036 /nfs/dbraw/zinc/23/40/36/1108234036.db2.gz PQLYMVQYBPEIDB-GOSISDBHSA-N 2 0 327.472 2.075 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)c1 ZINC001498863389 1108241760 /nfs/dbraw/zinc/24/17/60/1108241760.db2.gz KZCVWOSVMIJZLK-IBGZPJMESA-N 2 0 329.488 2.384 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1c(C)nsc1C ZINC001493569554 1108332112 /nfs/dbraw/zinc/33/21/12/1108332112.db2.gz KLNOEKRQPIYYII-INIZCTEOSA-N 2 0 338.521 2.182 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1 ZINC001493612717 1108403178 /nfs/dbraw/zinc/40/31/78/1108403178.db2.gz GAVYYYNOFFWFKF-LJQANCHMSA-N 2 0 331.504 2.398 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493762171 1108638141 /nfs/dbraw/zinc/63/81/41/1108638141.db2.gz RKMPHLURGBABDM-QGZVFWFLSA-N 2 0 331.504 2.181 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)Cn2ccnc2C)c1 ZINC001493794618 1108674532 /nfs/dbraw/zinc/67/45/32/1108674532.db2.gz YDGAHSNQSQAZNV-CQSZACIVSA-N 2 0 330.432 2.009 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC001493804044 1108684987 /nfs/dbraw/zinc/68/49/87/1108684987.db2.gz YFGXCOYJJFLWIN-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001493806648 1108687733 /nfs/dbraw/zinc/68/77/33/1108687733.db2.gz MJWHBYLJSYTLKV-ZDUSSCGKSA-N 2 0 327.419 2.414 10 0 EEAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001479328412 1110681744 /nfs/dbraw/zinc/68/17/44/1110681744.db2.gz NEVFFKUTVRECQG-NCOADZHNSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001479417789 1110694243 /nfs/dbraw/zinc/69/42/43/1110694243.db2.gz YBPSNNHOJOUJOD-CTYIDZIISA-N 2 0 339.430 2.289 10 0 EEAERP CCc1nccn1[C@@H](C)CC(=O)NCC1(NCc2nocc2C)CC1 ZINC001499230686 1112190423 /nfs/dbraw/zinc/19/04/23/1112190423.db2.gz DELNLGCGSLGRGE-AWEZNQCLSA-N 2 0 345.447 2.132 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCc3ccccc3Cl)CC2)C1 ZINC001499421136 1112278325 /nfs/dbraw/zinc/27/83/25/1112278325.db2.gz LOJRDIYVKYKAAT-OAHLLOKOSA-N 2 0 349.906 2.463 10 0 EEAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001499535632 1112350423 /nfs/dbraw/zinc/35/04/23/1112350423.db2.gz LPKUXYORAJAZLN-GOSISDBHSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCC[NH+]3CCCC3)C2)co1 ZINC001500405524 1112806944 /nfs/dbraw/zinc/80/69/44/1112806944.db2.gz YFUJEWDGNGHCED-LJQANCHMSA-N 2 0 348.491 2.187 10 0 EEAERP COCCC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001500428335 1112823893 /nfs/dbraw/zinc/82/38/93/1112823893.db2.gz AQYXJINUVMDPCV-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCOCC1 ZINC001500562140 1112946457 /nfs/dbraw/zinc/94/64/57/1112946457.db2.gz HFKHIBCAPVVFBV-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1ccon1 ZINC001501156125 1113218305 /nfs/dbraw/zinc/21/83/05/1113218305.db2.gz LBEVTELBEMYMNZ-SJORKVTESA-N 2 0 348.491 2.125 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001501186394 1113233577 /nfs/dbraw/zinc/23/35/77/1113233577.db2.gz JBQCGQSEOSEMLW-BZSNNMDCSA-N 2 0 339.524 2.019 10 0 EEAERP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001501219199 1113248595 /nfs/dbraw/zinc/24/85/95/1113248595.db2.gz CSHXUWZVWMDFET-IGBSGPOWSA-N 2 0 331.504 2.075 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001501610638 1113398597 /nfs/dbraw/zinc/39/85/97/1113398597.db2.gz BWVDUSPQIQMNNY-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC[C@@H]3CC3(Cl)Cl)CCC2)C1 ZINC001502026138 1113563554 /nfs/dbraw/zinc/56/35/54/1113563554.db2.gz MZKUNFHAVPREEI-CHWSQXEVSA-N 2 0 348.318 2.151 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001502246638 1113632649 /nfs/dbraw/zinc/63/26/49/1113632649.db2.gz YWXSNGNCBOERPE-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCF)CC1)[NH+]1CCCCC1 ZINC001502811591 1113808499 /nfs/dbraw/zinc/80/84/99/1113808499.db2.gz YRDUTPMXVVVFCM-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001505410279 1113944914 /nfs/dbraw/zinc/94/49/14/1113944914.db2.gz AGDCZDZKPATFGD-FAOGRTBUSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1cccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505760104 1114174026 /nfs/dbraw/zinc/17/40/26/1114174026.db2.gz GOIFEGDLAJMAJX-IRXDYDNUSA-N 2 0 332.492 2.249 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCOC1CCC1 ZINC001506014622 1114344942 /nfs/dbraw/zinc/34/49/42/1114344942.db2.gz FKPVUNIZGOXIBR-IRXDYDNUSA-N 2 0 339.524 2.257 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCc1ccccc1Cl ZINC001506056437 1114381935 /nfs/dbraw/zinc/38/19/35/1114381935.db2.gz HAIRBUOETRNXED-HOCLYGCPSA-N 2 0 337.895 2.271 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001506478654 1114637672 /nfs/dbraw/zinc/63/76/72/1114637672.db2.gz AQCZMZWNJBBELU-HZPDHXFCSA-N 2 0 327.488 2.293 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC001506522150 1114670951 /nfs/dbraw/zinc/67/09/51/1114670951.db2.gz MJWRACVRHGGUKW-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](C[C@@H]2CCCCO2)CC1(C)C ZINC001506748931 1114862855 /nfs/dbraw/zinc/86/28/55/1114862855.db2.gz AYJFUGZLMYAFFY-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP CC1(C)C[N@H+](CCCF)C[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001506752948 1114866267 /nfs/dbraw/zinc/86/62/67/1114866267.db2.gz MWUVFVSXJHNJEY-INIZCTEOSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@H](C(=O)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12)[NH+](CC)CC ZINC001506812267 1114891479 /nfs/dbraw/zinc/89/14/79/1114891479.db2.gz SFEUERXTKSPRTB-MAKIEKMXSA-N 2 0 327.900 2.153 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C/C=C/Cl)C[C@@H]3C2)CC1 ZINC001506851666 1114915259 /nfs/dbraw/zinc/91/52/59/1114915259.db2.gz FGFHFYJKRSRFME-WVFDAVJHSA-N 2 0 339.911 2.297 10 0 EEAERP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001506945386 1114994229 /nfs/dbraw/zinc/99/42/29/1114994229.db2.gz FLQXWUOQUALELK-KBPBESRZSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C[NH+]1CCCC1 ZINC001506951129 1114999436 /nfs/dbraw/zinc/99/94/36/1114999436.db2.gz NSOBBWIFFQWAAT-MRXNPFEDSA-N 2 0 345.487 2.187 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001507088006 1115101774 /nfs/dbraw/zinc/10/17/74/1115101774.db2.gz JVDLTDMZGIGSCQ-NVXWUHKLSA-N 2 0 349.523 2.059 10 0 EEAERP COCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507318030 1115189767 /nfs/dbraw/zinc/18/97/67/1115189767.db2.gz GLLQKSWJIMWIEG-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1C ZINC001507319714 1115190512 /nfs/dbraw/zinc/19/05/12/1115190512.db2.gz LBTAHTDYPOWLSH-YOEHRIQHSA-N 2 0 333.476 2.034 10 0 EEAERP CC(C)c1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001507412292 1115257111 /nfs/dbraw/zinc/25/71/11/1115257111.db2.gz VGYWNUMAHPAQRK-LSDHHAIUSA-N 2 0 336.480 2.124 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2F)C(C)(C)C1 ZINC001507449290 1115276023 /nfs/dbraw/zinc/27/60/23/1115276023.db2.gz BEKHKFANZLKWLS-QGZVFWFLSA-N 2 0 335.467 2.494 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(-n2ccnc2)ccc1O ZINC001546334910 1118588606 /nfs/dbraw/zinc/58/86/06/1118588606.db2.gz FHMNGEOMPPWHEG-UHFFFAOYSA-N 2 0 346.350 2.411 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001568027624 1124237297 /nfs/dbraw/zinc/23/72/97/1124237297.db2.gz FLHJWDUAYANONK-IUODEOHRSA-N 2 0 335.414 2.155 10 0 EEAERP C[C@](C[NH2+]C/C=C/Cl)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001568034199 1124240834 /nfs/dbraw/zinc/24/08/34/1124240834.db2.gz NKFCILJFVPVTSD-HFTQHKIXSA-N 2 0 327.900 2.489 10 0 EEAERP O=C(NCc1ccc(C[NH2+]C/C=C/Cl)cc1)C12CC[NH+](CC1)C2 ZINC001568121552 1124315330 /nfs/dbraw/zinc/31/53/30/1124315330.db2.gz DXUDMHMSTAOYRY-UNXLUWIOSA-N 2 0 333.863 2.241 10 0 EEAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001568358074 1124435517 /nfs/dbraw/zinc/43/55/17/1124435517.db2.gz NZABWDJYNZAKFI-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001568392519 1124462489 /nfs/dbraw/zinc/46/24/89/1124462489.db2.gz QKBJEOWSSMKNRP-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001568540109 1124600794 /nfs/dbraw/zinc/60/07/94/1124600794.db2.gz KUONRXIAFHLWTP-DOTOQJQBSA-N 2 0 347.528 2.261 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1 ZINC001568651529 1124662241 /nfs/dbraw/zinc/66/22/41/1124662241.db2.gz SISJNFFJIYCPGR-FUHWJXTLSA-N 2 0 332.492 2.186 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)o1 ZINC001568688083 1124699424 /nfs/dbraw/zinc/69/94/24/1124699424.db2.gz ODQMGNLWHBLXQD-CYBMUJFWSA-N 2 0 336.480 2.008 10 0 EEAERP CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568897300 1124925494 /nfs/dbraw/zinc/92/54/94/1124925494.db2.gz CXBUMIIZCJALCC-SREVYHEPSA-N 2 0 348.491 2.182 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001568927831 1124958164 /nfs/dbraw/zinc/95/81/64/1124958164.db2.gz CQIJOKCJAONTOG-ZRUQZJFASA-N 2 0 335.414 2.464 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568991769 1125026366 /nfs/dbraw/zinc/02/63/66/1125026366.db2.gz KIJPITAKMUPGHA-HIFRSBDPSA-N 2 0 338.883 2.202 10 0 EEAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001569080700 1125085493 /nfs/dbraw/zinc/08/54/93/1125085493.db2.gz HODKJHOPFIWZMD-IPELMVKDSA-N 2 0 329.488 2.226 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001569320180 1125227707 /nfs/dbraw/zinc/22/77/07/1125227707.db2.gz NEBKOOYVIJVYEE-NRBJAHEWSA-N 2 0 345.890 2.436 10 0 EEAERP C[NH+]1CCC(OCC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001569323710 1125229324 /nfs/dbraw/zinc/22/93/24/1125229324.db2.gz JEXJPJMHSUAAFU-KRWDZBQOSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055064888 214268744 /nfs/dbraw/zinc/26/87/44/214268744.db2.gz CZEPLXPCQUWMRE-NWDGAFQWSA-N 2 0 330.270 2.458 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449513683 282251465 /nfs/dbraw/zinc/25/14/65/282251465.db2.gz WLSLHZXFAKERJP-MOPGFXCFSA-N 2 0 326.444 2.462 10 0 EEAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)[C@H]2C1 ZINC000092095492 539380763 /nfs/dbraw/zinc/38/07/63/539380763.db2.gz DIWBAVITTMXCRI-AABGKKOBSA-N 2 0 348.487 2.395 10 0 EEAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366415218 282694890 /nfs/dbraw/zinc/69/48/90/282694890.db2.gz AHCFDYNGQFNJAM-GOSISDBHSA-N 2 0 345.535 2.337 10 0 EEAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@H]3C[N@H+](C)CC[C@@H]31)C2 ZINC000245967873 283159301 /nfs/dbraw/zinc/15/93/01/283159301.db2.gz NPFAERBUGJKQPV-VGUREELVSA-N 2 0 334.508 2.127 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(F)ccc2OC)CC[NH2+]CC1 ZINC000423065592 240348971 /nfs/dbraw/zinc/34/89/71/240348971.db2.gz UYCMREYCYYPIHW-CYBMUJFWSA-N 2 0 338.423 2.245 10 0 EEAERP Cc1c(CN(C)C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)[nH]c2ccccc12 ZINC000072131862 216020824 /nfs/dbraw/zinc/02/08/24/216020824.db2.gz AVNZZTZKBQMIFM-QGZVFWFLSA-N 2 0 340.471 2.166 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415942818 239013520 /nfs/dbraw/zinc/01/35/20/239013520.db2.gz CAFAHPVPCHJPKL-UHFFFAOYSA-N 2 0 334.464 2.266 10 0 EEAERP CC[NH+](CC)[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000422825757 240247377 /nfs/dbraw/zinc/24/73/77/240247377.db2.gz BAYKNVONTYSVAE-HBMCJLEFSA-N 2 0 345.531 2.296 10 0 EEAERP COc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422726045 240196064 /nfs/dbraw/zinc/19/60/64/240196064.db2.gz ZCJHRQHFJXLRGY-FGTMMUONSA-N 2 0 348.487 2.383 10 0 EEAERP CCOC(=O)C1([C@@H](C)[NH2+]CC2CCC(OC)CC2)CC[NH2+]CC1 ZINC000422836579 240251484 /nfs/dbraw/zinc/25/14/84/240251484.db2.gz KJPWDCMDASLAFA-QQFBHYJXSA-N 2 0 326.481 2.103 10 0 EEAERP CN(C)c1ncccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860515 240263108 /nfs/dbraw/zinc/26/31/08/240263108.db2.gz LKCHIACHRGXEKA-XLIONFOSSA-N 2 0 338.455 2.493 10 0 EEAERP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+](C)CC(C)(C)CO ZINC000451259903 243052267 /nfs/dbraw/zinc/05/22/67/243052267.db2.gz YPBPGRXYAGTVRE-CYBMUJFWSA-N 2 0 330.432 2.354 10 0 EEAERP C[C@@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000246505174 243264513 /nfs/dbraw/zinc/26/45/13/243264513.db2.gz QECRJRVGVSLQPN-MDZRGWNJSA-N 2 0 345.487 2.034 10 0 EEAERP COCCN1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000273092829 256264656 /nfs/dbraw/zinc/26/46/56/256264656.db2.gz NAKCUVPGLDMOIX-INIZCTEOSA-N 2 0 346.500 2.448 10 0 EEAERP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCSCC1 ZINC000129343400 533308003 /nfs/dbraw/zinc/30/80/03/533308003.db2.gz DQIKEVBFOOMGOZ-WMZOPIPTSA-N 2 0 347.528 2.205 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000191522177 152259582 /nfs/dbraw/zinc/25/95/82/152259582.db2.gz PECUHIJOMSIJRB-UXHICEINSA-N 2 0 336.568 2.350 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)CC[N@@H+]1Cc1ccccc1 ZINC000263003099 152354499 /nfs/dbraw/zinc/35/44/99/152354499.db2.gz OYACLHAXFVSZMI-BMFZPTHFSA-N 2 0 337.414 2.153 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000128841563 292348362 /nfs/dbraw/zinc/34/83/62/292348362.db2.gz SFOFUPHEXJYYHV-WMZOPIPTSA-N 2 0 338.540 2.480 10 0 EEAERP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000105169851 159298507 /nfs/dbraw/zinc/29/85/07/159298507.db2.gz QQMIPPHFNWKPHA-OALUTQOASA-N 2 0 346.519 2.190 10 0 EEAERP CCN(C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000193647071 160184274 /nfs/dbraw/zinc/18/42/74/160184274.db2.gz FWHOFWQQEHKPQS-OIISXLGYSA-N 2 0 333.451 2.229 10 0 EEAERP CCOCC[N@H+](CC)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245770439 160251744 /nfs/dbraw/zinc/25/17/44/160251744.db2.gz KIVQWUAVBQOJOW-HKUYNNGSSA-N 2 0 347.503 2.124 10 0 EEAERP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3N3CCOCC3)CC[C@H]21 ZINC000246485796 160281803 /nfs/dbraw/zinc/28/18/03/160281803.db2.gz PAAVEHSBIPQFRJ-PKOBYXMFSA-N 2 0 329.488 2.439 10 0 EEAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000343893913 161178259 /nfs/dbraw/zinc/17/82/59/161178259.db2.gz JOTYQHHQAGKPSJ-OXQOHEQNSA-N 2 0 331.504 2.447 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000355003537 163047566 /nfs/dbraw/zinc/04/75/66/163047566.db2.gz SWTIIUOEJRKGJU-IBGZPJMESA-N 2 0 347.503 2.160 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434459 164309337 /nfs/dbraw/zinc/30/93/37/164309337.db2.gz XVQNFXQASPTXPF-ZIAGYGMSSA-N 2 0 325.478 2.051 10 0 EEAERP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000361576438 164467293 /nfs/dbraw/zinc/46/72/93/164467293.db2.gz HPQIAHCXHAIJHR-LJQANCHMSA-N 2 0 345.487 2.009 10 0 EEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000375594645 167162984 /nfs/dbraw/zinc/16/29/84/167162984.db2.gz BIIUGRGBEBNLOT-FQEVSTJZSA-N 2 0 330.520 2.362 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000271571172 274142144 /nfs/dbraw/zinc/14/21/44/274142144.db2.gz ZCOOQQQINXYECT-NSISKUIASA-N 2 0 332.488 2.274 10 0 EEAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000185881187 274209455 /nfs/dbraw/zinc/20/94/55/274209455.db2.gz MBRTYNBQMVQLSC-INIZCTEOSA-N 2 0 327.476 2.192 10 0 EEAERP C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000288233140 275037396 /nfs/dbraw/zinc/03/73/96/275037396.db2.gz SRBOGOPDTNIZIY-YTQUADARSA-N 2 0 342.487 2.334 10 0 EEAERP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170863062 276672423 /nfs/dbraw/zinc/67/24/23/276672423.db2.gz HTNSYADWAHPWSN-MSOLQXFVSA-N 2 0 332.492 2.197 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000297531251 294271640 /nfs/dbraw/zinc/27/16/40/294271640.db2.gz BAPIKNCBGMZVOT-GOSISDBHSA-N 2 0 337.427 2.436 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000247911219 297094315 /nfs/dbraw/zinc/09/43/15/297094315.db2.gz AEWPWGGFLQLFID-OQIJWPOYSA-N 2 0 342.487 2.310 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414728593 313070489 /nfs/dbraw/zinc/07/04/89/313070489.db2.gz CJHBBRDGLYQCEU-HOTGVXAUSA-N 2 0 345.491 2.091 10 0 EEAERP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000416872278 313343163 /nfs/dbraw/zinc/34/31/63/313343163.db2.gz LVNYZGRUHDAZKH-SFHVURJKSA-N 2 0 330.476 2.176 10 0 EEAERP CC1CC[NH+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000417025238 313399665 /nfs/dbraw/zinc/39/96/65/313399665.db2.gz KHPOQEIQMAMZIV-JWTNVVGKSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@H]1CCC[C@@](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)([NH+](C)C)C1 ZINC000417210440 313450424 /nfs/dbraw/zinc/45/04/24/313450424.db2.gz DRKFGUFCINPZLC-IMBTUZDBSA-N 2 0 336.524 2.138 10 0 EEAERP Cc1cncn1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000527862827 317276948 /nfs/dbraw/zinc/27/69/48/317276948.db2.gz ASFBYWUMSIRZEQ-UHFFFAOYSA-N 2 0 326.444 2.145 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528717026 317458476 /nfs/dbraw/zinc/45/84/76/317458476.db2.gz XRPVWZLHCZLSNS-INIZCTEOSA-N 2 0 332.448 2.117 10 0 EEAERP CN(CCC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cc[nH+]cc1 ZINC000540926395 318084545 /nfs/dbraw/zinc/08/45/45/318084545.db2.gz QMLPOCNPOYDFQG-UHFFFAOYSA-N 2 0 330.476 2.242 10 0 EEAERP CN(CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cc[nH+]cc1 ZINC000541856495 318112589 /nfs/dbraw/zinc/11/25/89/318112589.db2.gz LVPIEGPCPLLDDX-ICSRJNTNSA-N 2 0 338.455 2.470 10 0 EEAERP CN(CCC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cc[nH+]cc1 ZINC000542783877 318139838 /nfs/dbraw/zinc/13/98/38/318139838.db2.gz FZMWGGSHMLJIFC-QGZVFWFLSA-N 2 0 330.476 2.098 10 0 EEAERP [NH3+]C1CCC(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000563531767 319020078 /nfs/dbraw/zinc/02/00/78/319020078.db2.gz MRKKOVITXUQRGL-UHFFFAOYSA-N 2 0 345.487 2.185 10 0 EEAERP COc1cncc(/C=C/CC[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000564911424 319126390 /nfs/dbraw/zinc/12/63/90/319126390.db2.gz HPDVDWLBPFJICJ-QPJJXVBHSA-N 2 0 332.492 2.063 10 0 EEAERP C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000565301398 319170240 /nfs/dbraw/zinc/17/02/40/319170240.db2.gz BLUXQCNBKLWCTA-GPMSIDNRSA-N 2 0 344.503 2.375 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000565715200 319207520 /nfs/dbraw/zinc/20/75/20/319207520.db2.gz WRFCCTAEDNYYBM-SFHVURJKSA-N 2 0 330.476 2.129 10 0 EEAERP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000566088740 319242749 /nfs/dbraw/zinc/24/27/49/319242749.db2.gz FFZOSCXPJBWLFQ-QMCVQRASSA-N 2 0 334.485 2.068 10 0 EEAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000566258864 319265997 /nfs/dbraw/zinc/26/59/97/319265997.db2.gz FNZCBAFQPSNNFP-CEXWTWQISA-N 2 0 341.430 2.477 10 0 EEAERP CCCCNC(=O)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051291 319449204 /nfs/dbraw/zinc/44/92/04/319449204.db2.gz AFVREFAJGDGJPI-UHFFFAOYSA-N 2 0 329.488 2.461 10 0 EEAERP CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000574762898 320054899 /nfs/dbraw/zinc/05/48/99/320054899.db2.gz AHRPEOALOYLLMU-OALUTQOASA-N 2 0 330.472 2.084 10 0 EEAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000574784007 320057686 /nfs/dbraw/zinc/05/76/86/320057686.db2.gz JIIAPZQIDVKQBE-HKUYNNGSSA-N 2 0 336.524 2.284 10 0 EEAERP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000576040887 320135787 /nfs/dbraw/zinc/13/57/87/320135787.db2.gz XOMPHCIGDLWINA-HXUWFJFHSA-N 2 0 346.471 2.431 10 0 EEAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[NH2+][C@@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000580645128 324103279 /nfs/dbraw/zinc/10/32/79/324103279.db2.gz WVNGIQWUTCFNDZ-VUKOWNLVSA-N 2 0 343.471 2.087 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000581833325 324326612 /nfs/dbraw/zinc/32/66/12/324326612.db2.gz JIODEHNWJMSJIH-PKOBYXMFSA-N 2 0 329.488 2.451 10 0 EEAERP C[NH+](C)CC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000350951026 465045928 /nfs/dbraw/zinc/04/59/28/465045928.db2.gz OJTRAGNCBXZVIZ-AWEZNQCLSA-N 2 0 335.414 2.061 10 0 EEAERP COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358314202 465053731 /nfs/dbraw/zinc/05/37/31/465053731.db2.gz UZSODCVQFRQGMR-XHSDSOJGSA-N 2 0 346.475 2.000 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000119399438 462898287 /nfs/dbraw/zinc/89/82/87/462898287.db2.gz JLAMYHQCUWKCDD-QGZVFWFLSA-N 2 0 347.503 2.477 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000093899111 463052141 /nfs/dbraw/zinc/05/21/41/463052141.db2.gz ZDOGFKKWJPXTRX-QGZVFWFLSA-N 2 0 346.519 2.033 10 0 EEAERP c1cnn(-c2cccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)c2)c1 ZINC000579328782 468341549 /nfs/dbraw/zinc/34/15/49/468341549.db2.gz RCDMGTMAKZLCHJ-UHFFFAOYSA-N 2 0 339.487 2.178 10 0 EEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000122135369 463241979 /nfs/dbraw/zinc/24/19/79/463241979.db2.gz TVOGDBFPUBKHLF-HOTGVXAUSA-N 2 0 333.476 2.264 10 0 EEAERP C[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CC[NH+](CCO)CC1 ZINC000069919043 463350829 /nfs/dbraw/zinc/35/08/29/463350829.db2.gz JMAGBYGSLFJDEH-UHFFFAOYSA-N 2 0 328.460 2.008 10 0 EEAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000111875787 463686404 /nfs/dbraw/zinc/68/64/04/463686404.db2.gz KKVMEDDCDBJCFJ-PKOBYXMFSA-N 2 0 344.503 2.387 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000171192132 463808592 /nfs/dbraw/zinc/80/85/92/463808592.db2.gz WQFDPLCRPZPZJN-IBGZPJMESA-N 2 0 344.503 2.292 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000185385723 463812996 /nfs/dbraw/zinc/81/29/96/463812996.db2.gz ZBCJTUPUGWHSPE-GOSISDBHSA-N 2 0 332.492 2.417 10 0 EEAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261727282 463842015 /nfs/dbraw/zinc/84/20/15/463842015.db2.gz GRXMTJRMRJOTOA-UKRRQHHQSA-N 2 0 335.414 2.109 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194449364 463864183 /nfs/dbraw/zinc/86/41/83/463864183.db2.gz MEVYOCRJAAFPSJ-MRXNPFEDSA-N 2 0 347.507 2.076 10 0 EEAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261886617 463889003 /nfs/dbraw/zinc/88/90/03/463889003.db2.gz FYGKNHJDMPUJQD-AQNXPRMDSA-N 2 0 331.504 2.385 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)C2([NH3+])CCOCC2)CCCC1)c1ccccc1 ZINC000261937971 463905379 /nfs/dbraw/zinc/90/53/79/463905379.db2.gz XBQGCOXZXAAYEZ-MRXNPFEDSA-N 2 0 345.487 2.274 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000178889176 464004783 /nfs/dbraw/zinc/00/47/83/464004783.db2.gz UPGXJMSLBMRVAI-KXBFYZLASA-N 2 0 338.455 2.181 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000270245522 464232376 /nfs/dbraw/zinc/23/23/76/464232376.db2.gz DKIMGZXGALSWPI-HCXYKTFWSA-N 2 0 342.487 2.358 10 0 EEAERP CN(c1ccccc1C[N@H+](C)CC1(CO)CC1)C1CC[NH+](C)CC1 ZINC000188953245 464404114 /nfs/dbraw/zinc/40/41/14/464404114.db2.gz LVCKLRIJGNBWOJ-UHFFFAOYSA-N 2 0 331.504 2.421 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000579730196 468403986 /nfs/dbraw/zinc/40/39/86/468403986.db2.gz BHRJGUIOAVNIRY-INIZCTEOSA-N 2 0 345.487 2.118 10 0 EEAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478866 464589300 /nfs/dbraw/zinc/58/93/00/464589300.db2.gz HLTGTNOCTIEVFG-GOEBONIOSA-N 2 0 349.475 2.304 10 0 EEAERP C[C@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471484 464623294 /nfs/dbraw/zinc/62/32/94/464623294.db2.gz LHBRDNSOKNWXGA-PKOBYXMFSA-N 2 0 329.488 2.499 10 0 EEAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000175948040 464664327 /nfs/dbraw/zinc/66/43/27/464664327.db2.gz OHBWOEPQRYOUSF-GOSISDBHSA-N 2 0 348.466 2.137 10 0 EEAERP CCC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C ZINC000190582292 464681380 /nfs/dbraw/zinc/68/13/80/464681380.db2.gz QQQRGGIZNFYTON-MSOLQXFVSA-N 2 0 332.492 2.092 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176018788 464681576 /nfs/dbraw/zinc/68/15/76/464681576.db2.gz GXENNUFJCMDAEM-MAUKXSAKSA-N 2 0 334.508 2.272 10 0 EEAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247595461 464697213 /nfs/dbraw/zinc/69/72/13/464697213.db2.gz SEGHOYQZRVRGJC-OALUTQOASA-N 2 0 342.487 2.313 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccsc1 ZINC000266708877 464794789 /nfs/dbraw/zinc/79/47/89/464794789.db2.gz YKIBSTFPGCONRS-JKSUJKDBSA-N 2 0 334.489 2.007 10 0 EEAERP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000192003377 464844342 /nfs/dbraw/zinc/84/43/42/464844342.db2.gz ZLYMCLYESPVATE-GDBMZVCRSA-N 2 0 328.497 2.131 10 0 EEAERP CN1CCO[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000192978673 465020256 /nfs/dbraw/zinc/02/02/56/465020256.db2.gz UKIAWIKBYYFICM-RAFMOHDBSA-N 2 0 329.488 2.102 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348048838 465392224 /nfs/dbraw/zinc/39/22/24/465392224.db2.gz WOBDOGMSPIRANI-LHDHZVESSA-N 2 0 341.499 2.496 10 0 EEAERP CC[NH+](CC)CCS(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352315118 465516243 /nfs/dbraw/zinc/51/62/43/465516243.db2.gz UGVOVBAXYQLNDJ-HOTGVXAUSA-N 2 0 347.569 2.004 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000356931976 465638808 /nfs/dbraw/zinc/63/88/08/465638808.db2.gz IMSVUYKDVCNHHK-MSOLQXFVSA-N 2 0 331.504 2.421 10 0 EEAERP COc1cc[nH+]c(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000353335853 465808485 /nfs/dbraw/zinc/80/84/85/465808485.db2.gz JRWXIWWALXUFTH-MRXNPFEDSA-N 2 0 346.475 2.003 10 0 EEAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccncc2)s1 ZINC000349301513 466056563 /nfs/dbraw/zinc/05/65/63/466056563.db2.gz VIQBHAXERQKBFF-UHFFFAOYSA-N 2 0 345.516 2.274 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000303428055 466234814 /nfs/dbraw/zinc/23/48/14/466234814.db2.gz BFXOQJVUOZOTBQ-OALUTQOASA-N 2 0 346.519 2.333 10 0 EEAERP CN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353954491 466279101 /nfs/dbraw/zinc/27/91/01/466279101.db2.gz BXRFNDBPUHCKSW-IBGZPJMESA-N 2 0 344.503 2.388 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367622864 466453325 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CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCN2C(C)(C)C)c1 ZINC000658054627 471263566 /nfs/dbraw/zinc/26/35/66/471263566.db2.gz FOIMOVALZQWWTE-UKRRQHHQSA-N 2 0 339.505 2.118 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000655247072 471292205 /nfs/dbraw/zinc/29/22/05/471292205.db2.gz RIQOGOWKRKMAJZ-OTWHNJEPSA-N 2 0 329.488 2.498 10 0 EEAERP Cc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000663374170 471344479 /nfs/dbraw/zinc/34/44/79/471344479.db2.gz GXQNSQCHONYYQP-IBGZPJMESA-N 2 0 332.488 2.446 10 0 EEAERP CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490337 471362957 /nfs/dbraw/zinc/36/29/57/471362957.db2.gz RBCXQTRQAKINKE-OLMNPRSZSA-N 2 0 341.446 2.001 10 0 EEAERP C[C@@H](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000663508234 471405224 /nfs/dbraw/zinc/40/52/24/471405224.db2.gz NXGWYZISHBZZAD-INIZCTEOSA-N 2 0 332.492 2.422 10 0 EEAERP c1cn2c(n1)[C@@H](NCc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000655684130 471442103 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2.237 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660823641 471501070 /nfs/dbraw/zinc/50/10/70/471501070.db2.gz WGUNHNJYVKAWFN-SJLPKXTDSA-N 2 0 332.492 2.290 10 0 EEAERP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)nn1 ZINC000655939300 471551198 /nfs/dbraw/zinc/55/11/98/471551198.db2.gz FWBOXHJZTOIRLD-AWEZNQCLSA-N 2 0 335.402 2.285 10 0 EEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC/C=C/C[NH3+] ZINC000669581444 471566432 /nfs/dbraw/zinc/56/64/32/471566432.db2.gz GTNVIIJQAMOQIK-DKRLNXSXSA-N 2 0 330.476 2.101 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccsc1 ZINC000659435228 471626326 /nfs/dbraw/zinc/62/63/26/471626326.db2.gz WJCNAFJUUXYYSF-RBSFLKMASA-N 2 0 342.484 2.212 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659489491 471652840 /nfs/dbraw/zinc/65/28/40/471652840.db2.gz HLWOARLSFAPGMM-VIQWUECVSA-N 2 0 348.535 2.425 10 0 EEAERP [NH3+]C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCCCCC1 ZINC000659505804 471660225 /nfs/dbraw/zinc/66/02/25/471660225.db2.gz RBHJZTNUASXEMO-UHFFFAOYSA-N 2 0 336.524 2.459 10 0 EEAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577415 471683707 /nfs/dbraw/zinc/68/37/07/471683707.db2.gz SFMRXMMNXSFODI-VDHUWJSZSA-N 2 0 330.476 2.043 10 0 EEAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000659606838 471698523 /nfs/dbraw/zinc/69/85/23/471698523.db2.gz VWTGPJUNNUQHAB-QFBILLFUSA-N 2 0 344.503 2.375 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664314975 471715414 /nfs/dbraw/zinc/71/54/14/471715414.db2.gz PNFXKXGSXUMARF-INIZCTEOSA-N 2 0 349.523 2.142 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncnc2c1cnn2-c1ccncc1 ZINC000656472091 471726967 /nfs/dbraw/zinc/72/69/67/471726967.db2.gz BNLXNGGIRSGEKP-CQSZACIVSA-N 2 0 337.431 2.495 10 0 EEAERP CC[NH2+]Cc1ccccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667779915 471901779 /nfs/dbraw/zinc/90/17/79/471901779.db2.gz QIOBXRKKLTUMNZ-UHFFFAOYSA-N 2 0 330.436 2.198 10 0 EEAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667785739 471903424 /nfs/dbraw/zinc/90/34/24/471903424.db2.gz YTJJYTIWXUZIEQ-WOJBJXKFSA-N 2 0 329.488 2.091 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cc1ccco1 ZINC000667811475 471916322 /nfs/dbraw/zinc/91/63/22/471916322.db2.gz NCYSSILTQQHXCS-IRXDYDNUSA-N 2 0 335.492 2.333 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000665259658 471982641 /nfs/dbraw/zinc/98/26/41/471982641.db2.gz MIJDLPRMALDCRD-UJNZZBMASA-N 2 0 347.478 2.495 10 0 EEAERP CCCN(C)CC(C)(C)[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000662181367 472021552 /nfs/dbraw/zinc/02/15/52/472021552.db2.gz YTAQBZVGEGTDJM-UHFFFAOYSA-N 2 0 330.476 2.255 10 0 EEAERP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]2CCCC2)cc1 ZINC000662425570 472105310 /nfs/dbraw/zinc/10/53/10/472105310.db2.gz JUYMNPFRBWAQES-ROUUACIJSA-N 2 0 333.476 2.000 10 0 EEAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000665640109 472120747 /nfs/dbraw/zinc/12/07/47/472120747.db2.gz NMFSAKXIUPRZPC-PKOBYXMFSA-N 2 0 346.519 2.458 10 0 EEAERP CCN(C(=O)[C@@H]([NH3+])COC(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662501570 472130148 /nfs/dbraw/zinc/13/01/48/472130148.db2.gz CMYSFBZLEUNRMP-NEWSRXKRSA-N 2 0 347.503 2.423 10 0 EEAERP CC[N@H+](CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662581334 472161430 /nfs/dbraw/zinc/16/14/30/472161430.db2.gz GDWCZBNWRGDJBO-HNNXBMFYSA-N 2 0 347.507 2.261 10 0 EEAERP CC1CC[NH+]([C@@H](CNC(=O)NC/C=C\C[NH3+])c2cccs2)CC1 ZINC000668644706 472207689 /nfs/dbraw/zinc/20/76/89/472207689.db2.gz LZTMSSSJXZQKNX-GWQWAINWSA-N 2 0 336.505 2.335 10 0 EEAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662695317 472211626 /nfs/dbraw/zinc/21/16/26/472211626.db2.gz JSYZCLYOSAPOEN-STQMWFEESA-N 2 0 336.480 2.355 10 0 EEAERP O=C(NCC[NH+]1CCCCCC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861632 485559593 /nfs/dbraw/zinc/55/95/93/485559593.db2.gz JZRAEGLQHDGFOZ-UHFFFAOYSA-N 2 0 328.420 2.265 10 0 EEAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000624394408 485676009 /nfs/dbraw/zinc/67/60/09/485676009.db2.gz DGDCGWIZRQVBRC-LJQANCHMSA-N 2 0 348.535 2.425 10 0 EEAERP CCn1cnnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000678588564 486646449 /nfs/dbraw/zinc/64/64/49/486646449.db2.gz QBPJGXINLIETFX-WMZOPIPTSA-N 2 0 327.476 2.341 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C)OCCO2)CC1 ZINC000768634107 577559978 /nfs/dbraw/zinc/55/99/78/577559978.db2.gz RYODXUUPERPSAJ-UHFFFAOYSA-N 2 0 333.476 2.071 10 0 EEAERP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769162332 577571439 /nfs/dbraw/zinc/57/14/39/577571439.db2.gz WCEWTUGJINWHPE-UHFFFAOYSA-N 2 0 340.471 2.125 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000741492260 578120350 /nfs/dbraw/zinc/12/03/50/578120350.db2.gz QKNTUVQCUHKGCT-PMPSAXMXSA-N 2 0 326.554 2.007 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848191 681244820 /nfs/dbraw/zinc/24/48/20/681244820.db2.gz ARXLPJIBUGUXCO-KBPBESRZSA-N 2 0 326.872 2.265 10 0 EEAERP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000899808293 693876151 /nfs/dbraw/zinc/87/61/51/693876151.db2.gz CKUXKLMOEXYJRI-SJORKVTESA-N 2 0 330.476 2.383 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000895840831 684739868 /nfs/dbraw/zinc/73/98/68/684739868.db2.gz LNNUWYFJRHOFAU-QRVBRYPASA-N 2 0 344.503 2.115 10 0 EEAERP COc1ccccc1N1CC[C@@H](N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000931310144 684949479 /nfs/dbraw/zinc/94/94/79/684949479.db2.gz IMYOICNYVODOSX-AHRSYUTCSA-N 2 0 343.471 2.074 10 0 EEAERP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC000897237043 686303236 /nfs/dbraw/zinc/30/32/36/686303236.db2.gz BTDUXLOMANUVBT-BRSBDYLESA-N 2 0 347.528 2.183 10 0 EEAERP C[NH+](C)CCNC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899127970 693622410 /nfs/dbraw/zinc/62/24/10/693622410.db2.gz NJSFQJBOJKDRRS-QYZOEREBSA-N 2 0 344.503 2.148 10 0 EEAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cnccc2C)C1)[NH+](CC)CC ZINC001485523916 1191825470 /nfs/dbraw/zinc/82/54/70/1191825470.db2.gz RFIXOYQARLMYLE-LPHOPBHVSA-N 2 0 346.519 2.447 10 0 EEAERP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485687783 1191897762 /nfs/dbraw/zinc/89/77/62/1191897762.db2.gz OAEQLLVNNSFTRC-JYJNAYRXSA-N 2 0 339.524 2.159 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cc(C)ncn1 ZINC001485750838 1191931576 /nfs/dbraw/zinc/93/15/76/1191931576.db2.gz CBMJIXHFAMIVNS-MAUKXSAKSA-N 2 0 347.507 2.034 10 0 EEAERP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC001266528600 1176750491 /nfs/dbraw/zinc/75/04/91/1176750491.db2.gz SWNVJCCXEIZNKP-AWEZNQCLSA-N 2 0 349.441 2.499 10 0 EEAERP O=C(N1CCC[C@H](C[NH2+]C/C=C/Cl)C1)C12CCC[NH+]1CCC2 ZINC001266796448 1177444130 /nfs/dbraw/zinc/44/41/30/1177444130.db2.gz ZAXPSSODLDOLTL-SGJXGLNRSA-N 2 0 325.884 2.196 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001691339987 1177934821 /nfs/dbraw/zinc/93/48/21/1177934821.db2.gz QSAYIHCVYJGPFV-LJQANCHMSA-N 2 0 345.487 2.139 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)C12CCC[NH+]1CCC2 ZINC001691377689 1177985445 /nfs/dbraw/zinc/98/54/45/1177985445.db2.gz PTOSTNJMBIYXHU-OAHLLOKOSA-N 2 0 343.462 2.488 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001267039851 1178136008 /nfs/dbraw/zinc/13/60/08/1178136008.db2.gz YXOWTENYPTYFLG-ZIAGYGMSSA-N 2 0 335.414 2.250 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001267138783 1178312666 /nfs/dbraw/zinc/31/26/66/1178312666.db2.gz BIJPODBLRGRGGQ-MJGOQNOKSA-N 2 0 347.503 2.343 10 0 EEAERP CN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)C1CC[NH+](C)CC1 ZINC001691459032 1178871213 /nfs/dbraw/zinc/87/12/13/1178871213.db2.gz PMXSXGBTTDJLSY-UHFFFAOYSA-N 2 0 341.858 2.369 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267374470 1178893209 /nfs/dbraw/zinc/89/32/09/1178893209.db2.gz BUUAUARBLIKXGX-SJLPKXTDSA-N 2 0 347.503 2.362 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)C[N@H+](C)C1CCC1 ZINC001267384242 1178942046 /nfs/dbraw/zinc/94/20/46/1178942046.db2.gz NZGDYVJUVJVRQD-QGZVFWFLSA-N 2 0 343.515 2.324 10 0 EEAERP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267386500 1178947450 /nfs/dbraw/zinc/94/74/50/1178947450.db2.gz JQCFSUJQKDFACA-INIZCTEOSA-N 2 0 339.430 2.387 10 0 EEAERP CCN(CCNC(=O)C[N@H+](C)C(C)C)Cc1cc(F)ccc1F ZINC001481019251 1179507464 /nfs/dbraw/zinc/50/74/64/1179507464.db2.gz NATDKWRQBAPQRG-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001481114896 1179769997 /nfs/dbraw/zinc/76/99/97/1179769997.db2.gz DONZDGSEAJDCIT-MRXNPFEDSA-N 2 0 335.517 2.418 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001481236814 1180384166 /nfs/dbraw/zinc/38/41/66/1180384166.db2.gz YATYJBWTMIMJKT-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001267776115 1180502273 /nfs/dbraw/zinc/50/22/73/1180502273.db2.gz FEZROFAIAUEEBY-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ccc(OCC[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001481271754 1180582970 /nfs/dbraw/zinc/58/29/70/1180582970.db2.gz IQFAYZJHZMHXPK-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCc2ccccc2F)CCCC1 ZINC001267834571 1180604106 /nfs/dbraw/zinc/60/41/06/1180604106.db2.gz WQDRCQJFRWQGTR-GOSISDBHSA-N 2 0 347.478 2.481 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267928650 1180776681 /nfs/dbraw/zinc/77/66/81/1180776681.db2.gz LULYUYJZWPLYDF-BRWVUGGUSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267978631 1180910582 /nfs/dbraw/zinc/91/05/82/1180910582.db2.gz DGGDZZJAHCSHPS-QAPCUYQASA-N 2 0 347.503 2.118 10 0 EEAERP Cc1nocc1C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001481353627 1181102459 /nfs/dbraw/zinc/10/24/59/1181102459.db2.gz GHUJHYJBXYCRQZ-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCC2=CCCCC2)CCO1)[NH+](C)C ZINC001268030070 1181219758 /nfs/dbraw/zinc/21/97/58/1181219758.db2.gz MBZJJYWBSUFBSJ-ROUUACIJSA-N 2 0 337.508 2.034 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(F)c2F)C1 ZINC001481495540 1181567597 /nfs/dbraw/zinc/56/75/97/1181567597.db2.gz BUIDXIDOIORYIX-CQSZACIVSA-N 2 0 339.430 2.197 10 0 EEAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001481498403 1181570526 /nfs/dbraw/zinc/57/05/26/1181570526.db2.gz PSEYAUWWCNNPIE-IAGOWNOFSA-N 2 0 332.492 2.334 10 0 EEAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481499142 1181571106 /nfs/dbraw/zinc/57/11/06/1181571106.db2.gz UWHHJNXCVRNNEU-CVEARBPZSA-N 2 0 329.504 2.493 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001268084595 1181701866 /nfs/dbraw/zinc/70/18/66/1181701866.db2.gz GQABCCSPFTXHRC-ROUUACIJSA-N 2 0 347.503 2.152 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](CC1CC(F)(F)C1)C1CC1 ZINC001493379573 1181922253 /nfs/dbraw/zinc/92/22/53/1181922253.db2.gz GSKVBLIMNDRPCN-OAHLLOKOSA-N 2 0 343.462 2.487 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1C ZINC001268370513 1182358454 /nfs/dbraw/zinc/35/84/54/1182358454.db2.gz JVFUVUBASJXWAH-QAPCUYQASA-N 2 0 332.492 2.249 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001268374564 1182383253 /nfs/dbraw/zinc/38/32/53/1182383253.db2.gz QUTRZRPEYYFSTD-FZMZJTMJSA-N 2 0 346.928 2.367 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268380116 1182402427 /nfs/dbraw/zinc/40/24/27/1182402427.db2.gz YCFXQEYJKMVDGE-DZGCQCFKSA-N 2 0 334.464 2.021 10 0 EEAERP CCc1ccccc1CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481739792 1182460802 /nfs/dbraw/zinc/46/08/02/1182460802.db2.gz FJFHYLNKCBYFPJ-IBGZPJMESA-N 2 0 331.504 2.276 10 0 EEAERP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)CCCn2ccnc2)C1)C1CCC1 ZINC001481754198 1182553808 /nfs/dbraw/zinc/55/38/08/1182553808.db2.gz KDWVHQBLPPKMRS-ROUUACIJSA-N 2 0 348.491 2.011 10 0 EEAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCCF ZINC001483622985 1182730231 /nfs/dbraw/zinc/73/02/31/1182730231.db2.gz HOUMMUTZKICLOV-IAGOWNOFSA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]Cc1ccn(C)n1 ZINC001481825100 1182752986 /nfs/dbraw/zinc/75/29/86/1182752986.db2.gz CAIHNXAITYPTQT-HNNXBMFYSA-N 2 0 349.523 2.058 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001268473439 1182867172 /nfs/dbraw/zinc/86/71/72/1182867172.db2.gz HKELLRSUGLLZDV-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)co1 ZINC001481988451 1183092741 /nfs/dbraw/zinc/09/27/41/1183092741.db2.gz RGMSSFDCSSCHPQ-IRXDYDNUSA-N 2 0 348.491 2.043 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001268538148 1183202566 /nfs/dbraw/zinc/20/25/66/1183202566.db2.gz GZGXTGZNKZKRHT-KROLTMCQSA-N 2 0 349.425 2.069 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCc1cccs1 ZINC001482116371 1183354515 /nfs/dbraw/zinc/35/45/15/1183354515.db2.gz GRCDZRFQTJSURH-HNNXBMFYSA-N 2 0 335.517 2.261 10 0 EEAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1F ZINC001268588351 1183386851 /nfs/dbraw/zinc/38/68/51/1183386851.db2.gz QSMSIEGNHRDTNP-ONEGZZNKSA-N 2 0 327.831 2.193 10 0 EEAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001268630231 1183555406 /nfs/dbraw/zinc/55/54/06/1183555406.db2.gz HEJDZIRMSJNHMK-ONEGZZNKSA-N 2 0 330.476 2.028 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001268753989 1183669969 /nfs/dbraw/zinc/66/99/69/1183669969.db2.gz YODBNRGHBWEXLX-CZUORRHYSA-N 2 0 340.899 2.258 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268792910 1183708667 /nfs/dbraw/zinc/70/86/67/1183708667.db2.gz HASDJVPJYYPCBW-CRAIPNDOSA-N 2 0 335.467 2.412 10 0 EEAERP CN(CCC[NH2+]Cc1cnc(Cl)s1)C(=O)CCc1c[nH]cn1 ZINC001268794853 1183711499 /nfs/dbraw/zinc/71/14/99/1183711499.db2.gz ATKBVQUSFYZGFI-UHFFFAOYSA-N 2 0 341.868 2.091 10 0 EEAERP CCc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001268877427 1183785001 /nfs/dbraw/zinc/78/50/01/1183785001.db2.gz YJZUFUOHSUGWIN-WBVHZDCISA-N 2 0 348.491 2.192 10 0 EEAERP CN(CCC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)CC[NH+]1CCCCC1 ZINC001268958409 1183850480 /nfs/dbraw/zinc/85/04/80/1183850480.db2.gz JTLDDUYKEKVQNE-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCCCC(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC001482202646 1183926612 /nfs/dbraw/zinc/92/66/12/1183926612.db2.gz JNPHGYNMTZFSGK-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP O=C(N[C@@H](C[NH2+]CCc1ccccc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001269071370 1183939833 /nfs/dbraw/zinc/93/98/33/1183939833.db2.gz IFWCGYYMLUVPEG-PMACEKPBSA-N 2 0 341.499 2.055 10 0 EEAERP CC/C=C/CCN1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001482207248 1183997185 /nfs/dbraw/zinc/99/71/85/1183997185.db2.gz ORFKEUNWOGPCJT-OAJJDEHYSA-N 2 0 337.508 2.036 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001269738783 1184576800 /nfs/dbraw/zinc/57/68/00/1184576800.db2.gz VYDFCGWNAAVPOS-YESZJQIVSA-N 2 0 327.488 2.295 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](Cc3ccc(F)cc3)C2)CC1 ZINC001482244619 1184640699 /nfs/dbraw/zinc/64/06/99/1184640699.db2.gz BGZFLSRABFTEHB-UHFFFAOYSA-N 2 0 333.451 2.202 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncccc1C ZINC001482291576 1185120879 /nfs/dbraw/zinc/12/08/79/1185120879.db2.gz HFVDEKHLGISPCZ-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH2+]C/C=C/Cl ZINC001270517586 1185142411 /nfs/dbraw/zinc/14/24/11/1185142411.db2.gz RFEVPCJQYCEETE-MOCUHTECSA-N 2 0 333.879 2.293 10 0 EEAERP C[C@@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001270737605 1185357325 /nfs/dbraw/zinc/35/73/25/1185357325.db2.gz PZLUWKTUSLPCNX-JMSVASOKSA-N 2 0 344.381 2.294 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2)C1 ZINC001270822225 1185427523 /nfs/dbraw/zinc/42/75/23/1185427523.db2.gz JXKZFXZKMIURNK-HXUWFJFHSA-N 2 0 331.504 2.399 10 0 EEAERP CC(C)C[C@H](C[NH2+]CC[C@@H](C)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001482387887 1185593638 /nfs/dbraw/zinc/59/36/38/1185593638.db2.gz SVEQCCKMWWXMBV-HZPDHXFCSA-N 2 0 327.488 2.483 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001482408778 1185634074 /nfs/dbraw/zinc/63/40/74/1185634074.db2.gz GYGDVHUBUUKNJM-LJQANCHMSA-N 2 0 346.519 2.496 10 0 EEAERP CC(C)=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001271109511 1185891673 /nfs/dbraw/zinc/89/16/73/1185891673.db2.gz LXERBIABFPLHNR-HNNXBMFYSA-N 2 0 329.435 2.122 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C/C=C/Cl)C1CCCCC1 ZINC001271353849 1186157621 /nfs/dbraw/zinc/15/76/21/1186157621.db2.gz KOHOPOZLNGGDFF-YXMGTMDOSA-N 2 0 327.900 2.489 10 0 EEAERP CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)Cc1nc2ccccc2o1 ZINC001482622920 1187448388 /nfs/dbraw/zinc/44/83/88/1187448388.db2.gz SNMBPPLCDNFCHI-UHFFFAOYSA-N 2 0 344.459 2.060 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482699990 1187677943 /nfs/dbraw/zinc/67/79/43/1187677943.db2.gz XZRLKRFAONPFPW-MSOLQXFVSA-N 2 0 332.492 2.105 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001482867683 1187788687 /nfs/dbraw/zinc/78/86/87/1187788687.db2.gz KVRWDMRHGOKPEJ-OAHLLOKOSA-N 2 0 333.476 2.021 10 0 EEAERP CCc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC001482875630 1187795359 /nfs/dbraw/zinc/79/53/59/1187795359.db2.gz WTVOJFPSUMGAOZ-UONOGXRCSA-N 2 0 338.521 2.032 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1C ZINC001482887411 1187804146 /nfs/dbraw/zinc/80/41/46/1187804146.db2.gz BJAZKYDKPNHCTH-NVXWUHKLSA-N 2 0 347.503 2.330 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914597 1187839881 /nfs/dbraw/zinc/83/98/81/1187839881.db2.gz RCSJPPCUCNEOPM-SFHVURJKSA-N 2 0 328.460 2.200 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950162 1187889667 /nfs/dbraw/zinc/88/96/67/1187889667.db2.gz HOLNEVPRUUYYCU-MRXNPFEDSA-N 2 0 347.503 2.284 10 0 EEAERP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001483078667 1188439173 /nfs/dbraw/zinc/43/91/73/1188439173.db2.gz SKKFRNOPXQMIAT-AATRIKPKSA-N 2 0 329.488 2.489 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001483091896 1188459495 /nfs/dbraw/zinc/45/94/95/1188459495.db2.gz BAQNPISJHKNFOJ-IOWAXEIUSA-N 2 0 345.462 2.417 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001483099266 1188475354 /nfs/dbraw/zinc/47/53/54/1188475354.db2.gz WYJIAEVJQVXDDY-FQQSSWHASA-N 2 0 329.488 2.366 10 0 EEAERP COCCCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001691628917 1188783777 /nfs/dbraw/zinc/78/37/77/1188783777.db2.gz FGQPRLVVOWAHQR-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC001272863980 1193583697 /nfs/dbraw/zinc/58/36/97/1193583697.db2.gz DZXFTUXNGXNLDT-SWLSCSKDSA-N 2 0 326.872 2.060 10 0 EEAERP Cc1csc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001483172603 1189025249 /nfs/dbraw/zinc/02/52/49/1189025249.db2.gz UCCFPSOKFJECAJ-HIFRSBDPSA-N 2 0 338.521 2.309 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409345463 1189556130 /nfs/dbraw/zinc/55/61/30/1189556130.db2.gz AWYMXPSOCFKXJB-HUUCEWRRSA-N 2 0 330.476 2.001 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001409348738 1189556483 /nfs/dbraw/zinc/55/64/83/1189556483.db2.gz FRCCTFHAIJWZGH-HUUCEWRRSA-N 2 0 349.523 2.240 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCOc2ccccc2)CC[N@@H+]1C ZINC001485879161 1193624600 /nfs/dbraw/zinc/62/46/00/1193624600.db2.gz ZHMOJLYZICVGPE-YTQUADARSA-N 2 0 347.503 2.232 10 0 EEAERP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001409367371 1189587655 /nfs/dbraw/zinc/58/76/55/1189587655.db2.gz BKRMDGXWJMRXDE-QWHCGFSZSA-N 2 0 341.883 2.283 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001485882631 1193628464 /nfs/dbraw/zinc/62/84/64/1193628464.db2.gz KYTYXIYZCUCCMW-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485956492 1193648621 /nfs/dbraw/zinc/64/86/21/1193648621.db2.gz XVPYBKKNTWWOBG-IEBWSBKVSA-N 2 0 331.504 2.316 10 0 EEAERP Cc1c(C(=O)N(C)CCC[NH2+]Cc2ccns2)ccc2c[nH+]cn21 ZINC001483475896 1190497342 /nfs/dbraw/zinc/49/73/42/1190497342.db2.gz YTEIVANRZLGUJQ-UHFFFAOYSA-N 2 0 343.456 2.351 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC001483492945 1190509861 /nfs/dbraw/zinc/50/98/61/1190509861.db2.gz NQWNNRZKYUSPJK-OAHLLOKOSA-N 2 0 344.459 2.108 10 0 EEAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001483574014 1190563769 /nfs/dbraw/zinc/56/37/69/1190563769.db2.gz OBDVDPKOZDRJEJ-CXAGYDPISA-N 2 0 345.422 2.113 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC001483604972 1190585346 /nfs/dbraw/zinc/58/53/46/1190585346.db2.gz BHFVIHCVTSILTD-QBUQCISBSA-N 2 0 327.472 2.280 10 0 EEAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC001483619813 1190601141 /nfs/dbraw/zinc/60/11/41/1190601141.db2.gz DPGCXWXKBGVXSS-ZBFHGGJFSA-N 2 0 338.521 2.120 10 0 EEAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC001483620769 1190602809 /nfs/dbraw/zinc/60/28/09/1190602809.db2.gz MIFOMBUMCMUSMD-YOEHRIQHSA-N 2 0 348.491 2.220 10 0 EEAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(CO)cc2)CCCCC1 ZINC001409786795 1190616720 /nfs/dbraw/zinc/61/67/20/1190616720.db2.gz RHHCQLNDYFRGDS-UHFFFAOYSA-N 2 0 347.503 2.039 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001272345054 1190778351 /nfs/dbraw/zinc/77/83/51/1190778351.db2.gz ZTSYROHQARXLHC-DOTOQJQBSA-N 2 0 335.517 2.261 10 0 EEAERP O=C(CCCn1ccnc1)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001483706528 1190785988 /nfs/dbraw/zinc/78/59/88/1190785988.db2.gz ORZMWFFMAXHAFJ-KRWDZBQOSA-N 2 0 330.476 2.434 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)no1 ZINC001272651324 1190960987 /nfs/dbraw/zinc/96/09/87/1190960987.db2.gz DLSPKKOCANGCMX-KRWDZBQOSA-N 2 0 348.491 2.187 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001483909360 1191120605 /nfs/dbraw/zinc/12/06/05/1191120605.db2.gz RYDOISRSMMPZSG-FUHWJXTLSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001484057379 1191185742 /nfs/dbraw/zinc/18/57/42/1191185742.db2.gz JCKSCZPOCGAMJL-HKUYNNGSSA-N 2 0 333.451 2.345 10 0 EEAERP Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001484082768 1191198421 /nfs/dbraw/zinc/19/84/21/1191198421.db2.gz KQWHVFBJBVHICN-AZUAARDMSA-N 2 0 329.488 2.417 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cncs2)C1 ZINC001484122371 1191221988 /nfs/dbraw/zinc/22/19/88/1191221988.db2.gz DQABUFISSGRIRI-KRWDZBQOSA-N 2 0 338.521 2.203 10 0 EEAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001484185736 1191264118 /nfs/dbraw/zinc/26/41/18/1191264118.db2.gz VXKCCZOVFIXZGV-CHYADLBTSA-N 2 0 337.508 2.082 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cncc(C)c2)CC1)[NH+](C)C ZINC001484725219 1191485582 /nfs/dbraw/zinc/48/55/82/1191485582.db2.gz ZOTIFCRKFFGARF-ZWKOTPCHSA-N 2 0 332.492 2.201 10 0 EEAERP Cc1nocc1C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001484725731 1191485693 /nfs/dbraw/zinc/48/56/93/1191485693.db2.gz FCHWEQOZJOUMMG-SJORKVTESA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001484833155 1191546465 /nfs/dbraw/zinc/54/64/65/1191546465.db2.gz XXCVFSGUQMHUGB-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP CCOCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001484875675 1191559061 /nfs/dbraw/zinc/55/90/61/1191559061.db2.gz NFHUDNHHRABWIS-LJQANCHMSA-N 2 0 347.503 2.241 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484918587 1191574870 /nfs/dbraw/zinc/57/48/70/1191574870.db2.gz VEPCBCOAVUPMLY-UHFFFAOYSA-N 2 0 339.524 2.257 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001484983089 1191601163 /nfs/dbraw/zinc/60/11/63/1191601163.db2.gz VAUDQZNUMHHJMC-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001485039578 1191627941 /nfs/dbraw/zinc/62/79/41/1191627941.db2.gz MMCZMLYRYZOSLL-IBGZPJMESA-N 2 0 347.503 2.021 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001485108971 1191656947 /nfs/dbraw/zinc/65/69/47/1191656947.db2.gz UOYSGRIQVUJVBJ-UHFFFAOYSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]Cc1ccns1 ZINC001485163690 1191675274 /nfs/dbraw/zinc/67/52/74/1191675274.db2.gz PYFNSWWLMACCQR-KBPBESRZSA-N 2 0 336.505 2.002 10 0 EEAERP Cc1nc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)sc1C ZINC001485186748 1191684935 /nfs/dbraw/zinc/68/49/35/1191684935.db2.gz GZEOKPYPXAFERL-VXGBXAGGSA-N 2 0 338.521 2.085 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccnc1 ZINC001485323014 1191741989 /nfs/dbraw/zinc/74/19/89/1191741989.db2.gz JORLUGIHKOLNML-FUHWJXTLSA-N 2 0 332.492 2.139 10 0 EEAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001485455228 1191791636 /nfs/dbraw/zinc/79/16/36/1191791636.db2.gz SKYNAGPEDNXKON-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001485514341 1191816430 /nfs/dbraw/zinc/81/64/30/1191816430.db2.gz VWZFUOUKBPCQPT-TZMCWYRMSA-N 2 0 337.430 2.496 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCOC2CCC2)CC3)CC1 ZINC001486149161 1193699647 /nfs/dbraw/zinc/69/96/47/1193699647.db2.gz OIBJYANPIZRBBD-YLJYHZDGSA-N 2 0 349.519 2.011 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001486249372 1193776339 /nfs/dbraw/zinc/77/63/39/1193776339.db2.gz GTBVGZVNANQYJL-KRWDZBQOSA-N 2 0 332.492 2.057 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)[NH+](C)C ZINC001486401879 1193926436 /nfs/dbraw/zinc/92/64/36/1193926436.db2.gz AZFYOJHVOBODEP-NEPJUHHUSA-N 2 0 325.419 2.400 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001486451917 1193967128 /nfs/dbraw/zinc/96/71/28/1193967128.db2.gz CBQWNKSDWXSKRJ-HUUCEWRRSA-N 2 0 349.441 2.497 10 0 EEAERP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272965161 1194273526 /nfs/dbraw/zinc/27/35/26/1194273526.db2.gz AUSPSRAJSHDBTE-CJNGLKHVSA-N 2 0 338.883 2.204 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CN(C/C=C\Cl)CC1(C)C ZINC001410016167 1197248495 /nfs/dbraw/zinc/24/84/95/1197248495.db2.gz JXEDQPAOXFBSLW-XQYKZARXSA-N 2 0 333.879 2.245 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)co1 ZINC001273205323 1197533031 /nfs/dbraw/zinc/53/30/31/1197533031.db2.gz YRRUKCXCMVDESC-YOEHRIQHSA-N 2 0 336.480 2.088 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]21)[NH+](C)C ZINC001410125819 1197558343 /nfs/dbraw/zinc/55/83/43/1197558343.db2.gz AZTQJQDMPPPZAJ-ZJPYXAASSA-N 2 0 349.906 2.474 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001410339786 1197728872 /nfs/dbraw/zinc/72/88/72/1197728872.db2.gz GSLLCOZOSBXXDM-WBVHZDCISA-N 2 0 333.476 2.034 10 0 EEAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001410392440 1197791736 /nfs/dbraw/zinc/79/17/36/1197791736.db2.gz KQBRZSAPMVHGPW-RDTXWAMCSA-N 2 0 330.476 2.445 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1F ZINC001410475930 1198020795 /nfs/dbraw/zinc/02/07/95/1198020795.db2.gz LWCKGSXQUXDMNT-KGLIPLIRSA-N 2 0 339.430 2.243 10 0 EEAERP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000872037070 1198032612 /nfs/dbraw/zinc/03/26/12/1198032612.db2.gz AIYKRUHFZZKCCU-GOSISDBHSA-N 2 0 338.467 2.208 10 0 EEAERP [NH3+][C@H](C[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000872158509 1198064971 /nfs/dbraw/zinc/06/49/71/1198064971.db2.gz VZGTULVEEXLQFW-SJLPKXTDSA-N 2 0 342.549 2.431 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCO1 ZINC001273323451 1198165361 /nfs/dbraw/zinc/16/53/61/1198165361.db2.gz NNMPQQGHPSCSOD-QZTJIDSGSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C)o1 ZINC001410842365 1198490538 /nfs/dbraw/zinc/49/05/38/1198490538.db2.gz FDCCLORHZDNTBR-XJKSGUPXSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C)c1 ZINC001411224679 1198935242 /nfs/dbraw/zinc/93/52/42/1198935242.db2.gz PKTVRTXGCDWYRX-CRAIPNDOSA-N 2 0 346.519 2.352 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C3CC[NH+](C/C=C/Cl)CC3)CC2)C1 ZINC001411258731 1198991891 /nfs/dbraw/zinc/99/18/91/1198991891.db2.gz YMFYDMYZUDMLLW-GBVWOXPPSA-N 2 0 339.911 2.442 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000810713295 1199668795 /nfs/dbraw/zinc/66/87/95/1199668795.db2.gz RDWTZTCEXSBUFB-JTTJXQCZSA-N 2 0 325.472 2.332 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1C[NH+](C)C ZINC000870024286 1200413190 /nfs/dbraw/zinc/41/31/90/1200413190.db2.gz NXUUUKJAPLXHNP-CHWSQXEVSA-N 2 0 341.858 2.291 10 0 EEAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870853871 1200912075 /nfs/dbraw/zinc/91/20/75/1200912075.db2.gz GBCUYFLGUUWPFP-ZDUSSCGKSA-N 2 0 342.281 2.153 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[N@@H+]1C ZINC000870893266 1200936816 /nfs/dbraw/zinc/93/68/16/1200936816.db2.gz LLRMMRXGGOIKRG-SWHYSGLUSA-N 2 0 340.265 2.048 10 0 EEAERP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870936934 1200966489 /nfs/dbraw/zinc/96/64/89/1200966489.db2.gz GXDZFDMCSUDLDO-GFCCVEGCSA-N 2 0 328.254 2.083 10 0 EEAERP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000870941704 1200968997 /nfs/dbraw/zinc/96/89/97/1200968997.db2.gz ZUYPIHXMVWWGKA-DDTOSNHZSA-N 2 0 340.265 2.035 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866526253 1201541684 /nfs/dbraw/zinc/54/16/84/1201541684.db2.gz HKVDSABVTBCCFZ-WBVHZDCISA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[NH+]1CCC(NC(=O)CN2c3ccccc3[C@@H]([NH3+])C2(C)C)CC1 ZINC000866701922 1201583580 /nfs/dbraw/zinc/58/35/80/1201583580.db2.gz RRVBHRIOUNWHKU-LJQANCHMSA-N 2 0 344.503 2.274 10 0 EEAERP CS[C@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000868180677 1201758737 /nfs/dbraw/zinc/75/87/37/1201758737.db2.gz IBNHWFCGYNJRBA-FZKCQIBNSA-N 2 0 334.489 2.011 10 0 EEAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001274413928 1205027237 /nfs/dbraw/zinc/02/72/37/1205027237.db2.gz POMAFZUMIHAIRX-XFHJGTJQSA-N 2 0 344.503 2.417 10 0 EEAERP COCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001275638809 1205457883 /nfs/dbraw/zinc/45/78/83/1205457883.db2.gz IZRGKCDKVBMHMP-WWDZGPRUSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924875174 1206045038 /nfs/dbraw/zinc/04/50/38/1206045038.db2.gz AZFXLRYRFJAGIE-VQTJNVASSA-N 2 0 346.519 2.244 10 0 EEAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000925479020 1206117505 /nfs/dbraw/zinc/11/75/05/1206117505.db2.gz PRTLFHIPGFROGU-VAMGGRTRSA-N 2 0 345.531 2.426 10 0 EEAERP CC1(C)C[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925479017 1206117509 /nfs/dbraw/zinc/11/75/09/1206117509.db2.gz PRTLFHIPGFROGU-AABGKKOBSA-N 2 0 345.531 2.426 10 0 EEAERP COc1ccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925584170 1206132008 /nfs/dbraw/zinc/13/20/08/1206132008.db2.gz KMWVOFNNNQQZSC-OALUTQOASA-N 2 0 345.487 2.183 10 0 EEAERP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C12CCC2 ZINC000925591779 1206133120 /nfs/dbraw/zinc/13/31/20/1206133120.db2.gz AXLPSVWDZKWTFO-OALUTQOASA-N 2 0 341.499 2.470 10 0 EEAERP O=C(/C=C/c1ccccc1)NCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925664819 1206141683 /nfs/dbraw/zinc/14/16/83/1206141683.db2.gz HBAMNSVAVBXCNY-BBVFFXRHSA-N 2 0 327.472 2.470 10 0 EEAERP COCC1CCC([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925817532 1206157258 /nfs/dbraw/zinc/15/72/58/1206157258.db2.gz PVGCNHMWSOOKMX-UHFFFAOYSA-N 2 0 331.504 2.387 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(-c2ccccc2)nn1C ZINC000925815854 1206157290 /nfs/dbraw/zinc/15/72/90/1206157290.db2.gz AWGXWPCHYJZUSB-OAHLLOKOSA-N 2 0 327.476 2.161 10 0 EEAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000925817690 1206157485 /nfs/dbraw/zinc/15/74/85/1206157485.db2.gz VOFWDFZQEJZTIG-OAHLLOKOSA-N 2 0 346.475 2.107 10 0 EEAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000925843585 1206159099 /nfs/dbraw/zinc/15/90/99/1206159099.db2.gz FQJGHZOUJMEEGT-INIZCTEOSA-N 2 0 329.492 2.299 10 0 EEAERP O=C1O[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)CC12CC[NH2+]CC2 ZINC000925848127 1206160082 /nfs/dbraw/zinc/16/00/82/1206160082.db2.gz ANBBBMHRJRXWLD-MSOLQXFVSA-N 2 0 328.456 2.209 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1N(C)C ZINC000925857291 1206161625 /nfs/dbraw/zinc/16/16/25/1206161625.db2.gz ZIQZHRHBLIIFSO-ZFWWWQNUSA-N 2 0 349.450 2.228 10 0 EEAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(OC)c1 ZINC000925859332 1206162209 /nfs/dbraw/zinc/16/22/09/1206162209.db2.gz XRDFOXWDQCEGTN-HIFRSBDPSA-N 2 0 348.443 2.040 10 0 EEAERP CCN(CCC[NH+](C)C)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925911291 1206167247 /nfs/dbraw/zinc/16/72/47/1206167247.db2.gz DZJWMFXQLHLJQX-QGZVFWFLSA-N 2 0 335.496 2.058 10 0 EEAERP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[C@H]1C[NH3+] ZINC000925951203 1206173766 /nfs/dbraw/zinc/17/37/66/1206173766.db2.gz DLXHVDYKGKTZLF-CABCVRRESA-N 2 0 334.464 2.076 10 0 EEAERP Cc1cc(F)ccc1[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000926228750 1206205880 /nfs/dbraw/zinc/20/58/80/1206205880.db2.gz PQFRRKCUKIFMHV-HNNXBMFYSA-N 2 0 338.471 2.330 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000778642599 1208312429 /nfs/dbraw/zinc/31/24/29/1208312429.db2.gz YZXCOBIFIRDODN-QZTJIDSGSA-N 2 0 340.508 2.397 10 0 EEAERP CC1(C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@H]1OCc1ccccc1 ZINC000717997944 1211685473 /nfs/dbraw/zinc/68/54/73/1211685473.db2.gz KFWVPWSHQOVQOF-RTBURBONSA-N 2 0 331.504 2.383 10 0 EEAERP CC(C)(CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCc2ccccc2C1 ZINC000900139058 1234043005 /nfs/dbraw/zinc/04/30/05/1234043005.db2.gz XFNIQRBPHVTNKB-UHFFFAOYSA-N 2 0 327.472 2.035 10 0 EEAERP CN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000900662413 1234625179 /nfs/dbraw/zinc/62/51/79/1234625179.db2.gz NXJWZWHCSMJEGL-KRWDZBQOSA-N 2 0 326.444 2.457 10 0 EEAERP C[NH+](C)C1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000901325473 1235548105 /nfs/dbraw/zinc/54/81/05/1235548105.db2.gz IMUCKRPBAVELTA-UHFFFAOYSA-N 2 0 342.487 2.251 10 0 EEAERP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCOCC1 ZINC000902794462 1238545853 /nfs/dbraw/zinc/54/58/53/1238545853.db2.gz WHIGBNZQABKUPS-QZTJIDSGSA-N 2 0 339.524 2.005 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001413478094 1238786605 /nfs/dbraw/zinc/78/66/05/1238786605.db2.gz RZRWELRONLVCLI-AEFFLSMTSA-N 2 0 330.476 2.239 10 0 EEAERP CCO[C@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000902922545 1239100590 /nfs/dbraw/zinc/10/05/90/1239100590.db2.gz TYUKWQQWTYILGK-ULQDDVLXSA-N 2 0 327.513 2.016 10 0 EEAERP c1cnc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)nc1 ZINC000903071913 1239665635 /nfs/dbraw/zinc/66/56/35/1239665635.db2.gz GHUWARXOPZGNSS-DUZACMNTSA-N 2 0 327.476 2.193 10 0 EEAERP C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903217467 1240031403 /nfs/dbraw/zinc/03/14/03/1240031403.db2.gz AYPMSBYHIQTBTG-CVEARBPZSA-N 2 0 333.476 2.146 10 0 EEAERP C[C@@H]1CCCC[C@H]1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511241 1240742923 /nfs/dbraw/zinc/74/29/23/1240742923.db2.gz YNITUTVGJCAPDT-RSPOEFSDSA-N 2 0 335.536 2.482 10 0 EEAERP c1ccc(C2([NH+]3CCCC3)CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000903824216 1242089787 /nfs/dbraw/zinc/08/97/87/1242089787.db2.gz NJWYBYNKHUBHGK-IBGZPJMESA-N 2 0 329.488 2.062 10 0 EEAERP CCOc1ccc(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903873392 1242262801 /nfs/dbraw/zinc/26/28/01/1242262801.db2.gz PVRQZUZRHQRQQK-QGZVFWFLSA-N 2 0 330.476 2.377 10 0 EEAERP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890277 1242347705 /nfs/dbraw/zinc/34/77/05/1242347705.db2.gz BADPOLSQINOTHT-DOTOQJQBSA-N 2 0 344.503 2.418 10 0 EEAERP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)C12CCC2 ZINC000903899529 1242397334 /nfs/dbraw/zinc/39/73/34/1242397334.db2.gz SXUYYRNLIVJJHW-RYQLBKOJSA-N 2 0 334.508 2.125 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNCc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903918254 1242481004 /nfs/dbraw/zinc/48/10/04/1242481004.db2.gz VTVSFZVDAVGRBB-IEBWSBKVSA-N 2 0 342.491 2.116 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2(c3ccccc3C)CC2)cnn1C ZINC000903927421 1242529143 /nfs/dbraw/zinc/52/91/43/1242529143.db2.gz YASIJDDKUJBQJC-QGZVFWFLSA-N 2 0 326.488 2.476 10 0 EEAERP C[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000903932575 1242555566 /nfs/dbraw/zinc/55/55/66/1242555566.db2.gz DWJTZWJXRBOZDF-RHSMWYFYSA-N 2 0 341.459 2.378 10 0 EEAERP COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1C ZINC001490957931 1258508586 /nfs/dbraw/zinc/50/85/86/1258508586.db2.gz HXGPDUOWPQLTIJ-QAQDUYKDSA-N 2 0 333.476 2.081 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC001490979967 1258532087 /nfs/dbraw/zinc/53/20/87/1258532087.db2.gz ARXIGDKBQHOHHQ-HKUYNNGSSA-N 2 0 344.503 2.235 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001491069686 1258636229 /nfs/dbraw/zinc/63/62/29/1258636229.db2.gz LXCGABZJAUKULX-NXOAAHMSSA-N 2 0 327.488 2.483 10 0 EEAERP CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001273458625 1278449346 /nfs/dbraw/zinc/44/93/46/1278449346.db2.gz RAVPRXIXRLULNR-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@H](C)OC)CC1 ZINC001267909477 1276902801 /nfs/dbraw/zinc/90/28/01/1276902801.db2.gz QDSZBFVKDQLWTG-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000851744588 1277739076 /nfs/dbraw/zinc/73/90/76/1277739076.db2.gz JOCBBHFEQCCBIR-HNNXBMFYSA-N 2 0 336.413 2.376 10 0 EEAERP Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001279182028 1279991924 /nfs/dbraw/zinc/99/19/24/1279991924.db2.gz HOAVUTSMMAIIFF-PWSUYJOCSA-N 2 0 345.274 2.264 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CCO[C@@H](C)C1)C(=O)CC[NH+]1CCCCC1 ZINC001273764980 1285107749 /nfs/dbraw/zinc/10/77/49/1285107749.db2.gz LAVTYBXAXZBOKS-ZWKOTPCHSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001273771928 1285353944 /nfs/dbraw/zinc/35/39/44/1285353944.db2.gz NQERNXRMOIZQCH-CQSZACIVSA-N 2 0 337.430 2.497 10 0 EEAERP COCCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001489231704 1290481478 /nfs/dbraw/zinc/48/14/78/1290481478.db2.gz OEARFCWNSRGELP-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C[C@@H](C)OC ZINC001490346669 1291166263 /nfs/dbraw/zinc/16/62/63/1291166263.db2.gz IQSIBLFEBYZANX-QAPCUYQASA-N 2 0 345.503 2.062 10 0 EEAERP CN(C)c1cccc(C[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001490416008 1291326723 /nfs/dbraw/zinc/32/67/23/1291326723.db2.gz HYNYUMKUZYFDSW-UHFFFAOYSA-N 2 0 346.519 2.127 10 0 EEAERP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000851796539 1291838984 /nfs/dbraw/zinc/83/89/84/1291838984.db2.gz HCZHSWMZCBQBLC-KFWWJZLASA-N 2 0 336.413 2.376 10 0 EEAERP CCCCCC[C@@](O)(C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852107675 1291995294 /nfs/dbraw/zinc/99/52/94/1291995294.db2.gz OAPSIIUYCLWAFN-RTBURBONSA-N 2 0 340.508 2.279 10 0 EEAERP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853246126 1292339338 /nfs/dbraw/zinc/33/93/38/1292339338.db2.gz HBMCGJGQPCNJKQ-BQTBQCLESA-N 2 0 341.455 2.183 10 0 EEAERP Cc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)ccc1N(C)C ZINC000854296689 1292708366 /nfs/dbraw/zinc/70/83/66/1292708366.db2.gz WAACKHZKQDAGEL-UHFFFAOYSA-N 2 0 335.496 2.066 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585196 1293572663 /nfs/dbraw/zinc/57/26/63/1293572663.db2.gz ANUDQDYEYNWLHW-UYAOXDASSA-N 2 0 346.519 2.471 10 0 EEAERP Cc1c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccnc1F ZINC000862324526 1295792819 /nfs/dbraw/zinc/79/28/19/1295792819.db2.gz ODCMHWZQJFKGLR-UHFFFAOYSA-N 2 0 334.483 2.379 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001491124846 1299611380 /nfs/dbraw/zinc/61/13/80/1299611380.db2.gz BQPSSNXOIKVCSI-MSOLQXFVSA-N 2 0 347.478 2.496 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC001277218743 1301881386 /nfs/dbraw/zinc/88/13/86/1301881386.db2.gz SZKIPDXUVLSNJL-DYVFJYSZSA-N 2 0 336.480 2.150 10 0 EEAERP C[C@H](CCC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C1CC[NH+](C)CC1 ZINC001277291642 1302219242 /nfs/dbraw/zinc/21/92/42/1302219242.db2.gz RQUPSSWUPVDYGX-WBVHZDCISA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)s1 ZINC001278417747 1310174079 /nfs/dbraw/zinc/17/40/79/1310174079.db2.gz XBMHXUCOKBBLEB-UKRRQHHQSA-N 2 0 338.521 2.262 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000839005843 1315200117 /nfs/dbraw/zinc/20/01/17/1315200117.db2.gz BEUIORXROSMVHA-SFHVURJKSA-N 2 0 348.487 2.322 10 0 EEAERP C1C[C@@H]2SCCS[C@H]2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088217 1315472321 /nfs/dbraw/zinc/47/23/21/1315472321.db2.gz ZGLRJNOOSMZZAP-JWRYVHENSA-N 2 0 341.590 2.172 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001278583278 1317275200 /nfs/dbraw/zinc/27/52/00/1317275200.db2.gz XVWYUVSHAJSKFN-CTNGQTDRSA-N 2 0 343.515 2.317 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1C[C@@H]1CC(C)(C)CO1)C(=O)CCCC[NH+](C)C ZINC001263817020 1322524511 /nfs/dbraw/zinc/52/45/11/1322524511.db2.gz MZOVSJQQKHDKDL-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1C[C@H]1CC(C)(C)CO1)C(=O)CCCC[NH+](C)C ZINC001263817017 1322525137 /nfs/dbraw/zinc/52/51/37/1322525137.db2.gz MZOVSJQQKHDKDL-DLBZAZTESA-N 2 0 339.524 2.066 10 0 EEAERP Cc1nc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)co1 ZINC001264517243 1322721914 /nfs/dbraw/zinc/72/19/14/1322721914.db2.gz CXLDFTWTTPMTPY-PBHICJAKSA-N 2 0 336.480 2.042 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cccnc1C ZINC001265143008 1322945353 /nfs/dbraw/zinc/94/53/53/1322945353.db2.gz UYFKYTWEJNLCDX-QGZVFWFLSA-N 2 0 332.492 2.060 10 0 EEAERP CC(C)OCCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001265193911 1322978551 /nfs/dbraw/zinc/97/85/51/1322978551.db2.gz YPKPUBGLJNTZAH-UHFFFAOYSA-N 2 0 339.524 2.209 10 0 EEAERP CC(C)CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265731613 1323353510 /nfs/dbraw/zinc/35/35/10/1323353510.db2.gz UTZIDABRMMIXGM-DAWZGUTISA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001265813085 1323393500 /nfs/dbraw/zinc/39/35/00/1323393500.db2.gz KNLYJONUJWTELK-YDHLFZDLSA-N 2 0 338.883 2.060 10 0 EEAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001265843788 1323417471 /nfs/dbraw/zinc/41/74/71/1323417471.db2.gz NJBYRMCNRAFIGT-CQSZACIVSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265850598 1323424236 /nfs/dbraw/zinc/42/42/36/1323424236.db2.gz HXJOKYNSCPNNBJ-KRWDZBQOSA-N 2 0 329.488 2.118 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccc(Cl)cc1 ZINC001265851398 1323425804 /nfs/dbraw/zinc/42/58/04/1323425804.db2.gz NWQYTPURPZYKJW-HNNXBMFYSA-N 2 0 349.906 2.463 10 0 EEAERP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138771 1323709559 /nfs/dbraw/zinc/70/95/59/1323709559.db2.gz SVBUNFHPJNNAMK-NVXWUHKLSA-N 2 0 325.472 2.047 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001280062070 1324072856 /nfs/dbraw/zinc/07/28/56/1324072856.db2.gz JXOQLKDZYRHRDO-AEFFLSMTSA-N 2 0 348.491 2.186 10 0 EEAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCOc1ccccc1 ZINC001282168346 1325639948 /nfs/dbraw/zinc/63/99/48/1325639948.db2.gz QVHHTYCIZMUOFI-IRXDYDNUSA-N 2 0 347.503 2.423 10 0 EEAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)C1CC[NH+](CC2CC2)CC1 ZINC001283092224 1325916103 /nfs/dbraw/zinc/91/61/03/1325916103.db2.gz QLJVQCMLVLNRFN-SVVOLMNOSA-N 2 0 339.911 2.345 10 0 EEAERP Cc1ccncc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027337 1326369030 /nfs/dbraw/zinc/36/90/30/1326369030.db2.gz UNVSMQZTHURGTL-WMZOPIPTSA-N 2 0 332.492 2.201 10 0 EEAERP CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC001284738266 1326690265 /nfs/dbraw/zinc/69/02/65/1326690265.db2.gz WNJQCRQJLKFJRC-ZIAGYGMSSA-N 2 0 347.425 2.251 10 0 EEAERP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CCCCCF)C1 ZINC001284816170 1326727027 /nfs/dbraw/zinc/72/70/27/1326727027.db2.gz RENTVQOHSMFOHX-HTWSVDAQSA-N 2 0 325.472 2.191 10 0 EEAERP Cc1cncc(C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001284920457 1326776342 /nfs/dbraw/zinc/77/63/42/1326776342.db2.gz HIGUAQOYLATJHI-UHFFFAOYSA-N 2 0 342.487 2.123 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOC(C)C)CC1 ZINC001284921621 1326777131 /nfs/dbraw/zinc/77/71/31/1326777131.db2.gz VYBTXXXROSXDKY-SFHVURJKSA-N 2 0 337.508 2.034 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC1CCC1 ZINC001491583889 1330173704 /nfs/dbraw/zinc/17/37/04/1330173704.db2.gz AYFDOUHXMYFIHW-IPELMVKDSA-N 2 0 329.488 2.226 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001491601347 1330180550 /nfs/dbraw/zinc/18/05/50/1330180550.db2.gz JQSXNXBBVAPWEW-CRAIPNDOSA-N 2 0 332.492 2.247 10 0 EEAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001491819485 1330263055 /nfs/dbraw/zinc/26/30/55/1330263055.db2.gz GXXRSHOGLYMYIL-MRXNPFEDSA-N 2 0 339.443 2.285 10 0 EEAERP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001491888855 1330290672 /nfs/dbraw/zinc/29/06/72/1330290672.db2.gz KRUPMGVFIMAAKI-RTBURBONSA-N 2 0 347.503 2.415 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001491959309 1330352906 /nfs/dbraw/zinc/35/29/06/1330352906.db2.gz KZNINKRNYYGJQJ-IAGOWNOFSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncsc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001492165259 1331030383 /nfs/dbraw/zinc/03/03/83/1331030383.db2.gz QOIMHUKHMUWPNN-HNNXBMFYSA-N 2 0 338.521 2.264 10 0 EEAERP Cc1cncc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001492177520 1331056368 /nfs/dbraw/zinc/05/63/68/1331056368.db2.gz HFFIVEKYVRRJFL-RTBURBONSA-N 2 0 344.503 2.203 10 0 EEAERP C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001492311650 1331149313 /nfs/dbraw/zinc/14/93/13/1331149313.db2.gz NHVFHERNOZWQSV-ZDUSSCGKSA-N 2 0 346.397 2.226 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)CC[C@@H]2CCOC2)ccc2c[nH+]cn21 ZINC001316832390 1331356184 /nfs/dbraw/zinc/35/61/84/1331356184.db2.gz DPJBFPKBNIZWOF-MRXNPFEDSA-N 2 0 344.459 2.121 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1nc(C)c(C)s1 ZINC001316887739 1331953683 /nfs/dbraw/zinc/95/36/83/1331953683.db2.gz SFYXPVHJFUWEJJ-HNNXBMFYSA-N 2 0 338.521 2.182 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1nc(C)c(C)s1 ZINC001316909424 1331975799 /nfs/dbraw/zinc/97/57/99/1331975799.db2.gz QADMWMHISSFWJR-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]21 ZINC001317213631 1332139027 /nfs/dbraw/zinc/13/90/27/1332139027.db2.gz MIEQCMYMLQEFAY-SGTQZHETSA-N 2 0 333.520 2.201 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001317239665 1332148614 /nfs/dbraw/zinc/14/86/14/1332148614.db2.gz CYVLCLPCUIUQMV-ZWKOTPCHSA-N 2 0 347.503 2.341 10 0 EEAERP O=C(NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001317432606 1332236080 /nfs/dbraw/zinc/23/60/80/1332236080.db2.gz AZAZTLCIRKRMGT-WEJQMCOXSA-N 2 0 325.884 2.196 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCCC(F)(F)F)C1 ZINC001317515140 1332276922 /nfs/dbraw/zinc/27/69/22/1332276922.db2.gz GPIYGQYTCOANEA-KBPBESRZSA-N 2 0 335.414 2.251 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)ccc1C ZINC001317643060 1332344651 /nfs/dbraw/zinc/34/46/51/1332344651.db2.gz VZSBWAYRINGDCN-UHFFFAOYSA-N 2 0 347.503 2.284 10 0 EEAERP Cc1ccc(C[N@@H+](CCCNC(=O)[C@@H]2CN(C)CCO2)C(C)C)cc1 ZINC001317684076 1332370870 /nfs/dbraw/zinc/37/08/70/1332370870.db2.gz QFNHWXQSLPEQPE-IBGZPJMESA-N 2 0 347.503 2.042 10 0 EEAERP CC(C)[N@H+](CCCF)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317692716 1332375322 /nfs/dbraw/zinc/37/53/22/1332375322.db2.gz AJSIEGKXESDJEL-UHFFFAOYSA-N 2 0 327.488 2.439 10 0 EEAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001318224706 1332491520 /nfs/dbraw/zinc/49/15/20/1332491520.db2.gz TYKYJPRHEOAPAI-PMPSAXMXSA-N 2 0 343.462 2.439 10 0 EEAERP CCC[NH2+]C[C@]1(NC(=O)c2ccn(CC[NH+](C)C)n2)CCCC[C@H]1C ZINC001318745521 1332587858 /nfs/dbraw/zinc/58/78/58/1332587858.db2.gz OAHSTCLHIYDNKA-VQIMIIECSA-N 2 0 349.523 2.123 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001318802045 1332599833 /nfs/dbraw/zinc/59/98/33/1332599833.db2.gz AKWCXKLLKXYTRO-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001318855743 1332612517 /nfs/dbraw/zinc/61/25/17/1332612517.db2.gz XCVVJUHMGDHDAD-GOSISDBHSA-N 2 0 344.503 2.204 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001318906999 1332621808 /nfs/dbraw/zinc/62/18/08/1332621808.db2.gz LFAPLTFWJYUWFM-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP COCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001318995941 1332634230 /nfs/dbraw/zinc/63/42/30/1332634230.db2.gz KERYWVZBILBWEC-OALUTQOASA-N 2 0 345.487 2.056 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccn2)CC1 ZINC001319774744 1332764370 /nfs/dbraw/zinc/76/43/70/1332764370.db2.gz NUVBGKCYBXFZEU-GOSISDBHSA-N 2 0 344.503 2.284 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464113 1332890009 /nfs/dbraw/zinc/89/00/09/1332890009.db2.gz LZJNPSKBXQILNG-CZUORRHYSA-N 2 0 339.430 2.434 10 0 EEAERP C[C@@H](CC[NH2+]CCc1ccns1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320516391 1332901719 /nfs/dbraw/zinc/90/17/19/1332901719.db2.gz HPEJSJBHDUYUHW-AWEZNQCLSA-N 2 0 338.521 2.044 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320549285 1332907826 /nfs/dbraw/zinc/90/78/26/1332907826.db2.gz QHCWDFNOZZPSPR-KGLIPLIRSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322087247 1333207338 /nfs/dbraw/zinc/20/73/38/1333207338.db2.gz GJHIKOXQTSBJQY-YJBOKZPZSA-N 2 0 333.476 2.025 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)s1 ZINC001322505562 1333272859 /nfs/dbraw/zinc/27/28/59/1333272859.db2.gz MOABFVWRIBJZRA-INIZCTEOSA-N 2 0 338.521 2.262 10 0 EEAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001322566383 1333284205 /nfs/dbraw/zinc/28/42/05/1333284205.db2.gz MBPVPOQMOJENKI-WMZOPIPTSA-N 2 0 348.491 2.246 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)on1 ZINC001322724680 1333315162 /nfs/dbraw/zinc/31/51/62/1333315162.db2.gz STAUATSYTMHCTH-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccnc(Cl)c1)[NH+](C)C ZINC001322792935 1333327932 /nfs/dbraw/zinc/32/79/32/1333327932.db2.gz NTTUXBFLONXSOP-CQSZACIVSA-N 2 0 326.872 2.013 10 0 EEAERP CCCC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1CC ZINC001323163020 1333400666 /nfs/dbraw/zinc/40/06/66/1333400666.db2.gz RYONHKFEVGXJIE-WMZOPIPTSA-N 2 0 349.523 2.075 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001324180560 1333629754 /nfs/dbraw/zinc/62/97/54/1333629754.db2.gz KVFVCLJDPWKTCE-CHWSQXEVSA-N 2 0 334.291 2.370 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001324772975 1333756654 /nfs/dbraw/zinc/75/66/54/1333756654.db2.gz WDPIDJWDUPIUQK-IUODEOHRSA-N 2 0 334.291 2.228 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001324812201 1333764959 /nfs/dbraw/zinc/76/49/59/1333764959.db2.gz DAZLPDMXLIWPHP-CZUORRHYSA-N 2 0 348.318 2.475 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001326289004 1334060527 /nfs/dbraw/zinc/06/05/27/1334060527.db2.gz PZCKRLUYWSBSRS-MJGOQNOKSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001326433791 1334093356 /nfs/dbraw/zinc/09/33/56/1334093356.db2.gz YVRVPAZZWPHXAY-IBGZPJMESA-N 2 0 329.488 2.419 10 0 EEAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001327941688 1334367430 /nfs/dbraw/zinc/36/74/30/1334367430.db2.gz SINGQXFELPIMOR-AEFFLSMTSA-N 2 0 333.520 2.489 10 0 EEAERP CCc1ccc(CC[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001328955422 1334556007 /nfs/dbraw/zinc/55/60/07/1334556007.db2.gz PPIFNCYAIAHGMY-IOJLRTSASA-N 2 0 343.515 2.228 10 0 EEAERP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](Cc2ccc(F)cc2)C1 ZINC001330073051 1334774487 /nfs/dbraw/zinc/77/44/87/1334774487.db2.gz YTYINHGNJUSTHW-HNNXBMFYSA-N 2 0 335.467 2.494 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCCc3ccccc3)C2)C1 ZINC001330700114 1334888967 /nfs/dbraw/zinc/88/89/67/1334888967.db2.gz JLBFRIUSWRTOCP-VAMGGRTRSA-N 2 0 343.515 2.445 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001330883454 1334920703 /nfs/dbraw/zinc/92/07/03/1334920703.db2.gz OYKZZLAOGIOJKP-GDBMZVCRSA-N 2 0 344.459 2.297 10 0 EEAERP C[C@H](CCC[NH2+]Cc1coc(C2CC2)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001330910475 1334925024 /nfs/dbraw/zinc/92/50/24/1334925024.db2.gz KBXNPGRIUAUSHK-CQSZACIVSA-N 2 0 348.491 2.268 10 0 EEAERP Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001332047708 1335713049 /nfs/dbraw/zinc/71/30/49/1335713049.db2.gz JGHAOFWARFNNJJ-CABCVRRESA-N 2 0 338.521 2.262 10 0 EEAERP COCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332793219 1335908261 /nfs/dbraw/zinc/90/82/61/1335908261.db2.gz VWXZADQTJKPKPB-HZPDHXFCSA-N 2 0 327.513 2.016 10 0 EEAERP CO[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001480322998 1337992553 /nfs/dbraw/zinc/99/25/53/1337992553.db2.gz GRWHDLDEYVLEJW-OALUTQOASA-N 2 0 347.503 2.297 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C(C)=C\c1cccnc1 ZINC000847418958 1338047395 /nfs/dbraw/zinc/04/73/95/1338047395.db2.gz MMAHICPICKYADB-RBAUTDOXSA-N 2 0 344.503 2.359 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001436358411 1342050021 /nfs/dbraw/zinc/05/00/21/1342050021.db2.gz GRTICVJZOHAMDY-BSXFFOKHSA-N 2 0 345.478 2.431 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1[C@H]1CCCc2ccccc21 ZINC001499120242 1342108086 /nfs/dbraw/zinc/10/80/86/1342108086.db2.gz MOSUGPONKKSWQL-MJGOQNOKSA-N 2 0 327.472 2.350 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001505716558 1342238546 /nfs/dbraw/zinc/23/85/46/1342238546.db2.gz IOCJSIAIVAHQFA-SJORKVTESA-N 2 0 349.523 2.179 10 0 EEAERP Cc1cccc(CCC[NH+]2CC([C@@H](C)NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001506674866 1342309742 /nfs/dbraw/zinc/30/97/42/1342309742.db2.gz IOQRZMBSBCPQKP-GOSISDBHSA-N 2 0 343.515 2.460 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962782 1342666225 /nfs/dbraw/zinc/66/62/25/1342666225.db2.gz LUNDPFOMQMJWLF-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCOc1ccccc1 ZINC001567366595 1342746234 /nfs/dbraw/zinc/74/62/34/1342746234.db2.gz LCVXVMDVRRWJBW-MJGOQNOKSA-N 2 0 345.487 2.130 10 0 EEAERP COCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001570349630 1343059246 /nfs/dbraw/zinc/05/92/46/1343059246.db2.gz RPKYFRLGYAWRDW-AEFFLSMTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C\Cl ZINC001570366423 1343062142 /nfs/dbraw/zinc/06/21/42/1343062142.db2.gz WPYVYRYVUFMULW-ICFKLAHKSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cncs1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001571320387 1343179019 /nfs/dbraw/zinc/17/90/19/1343179019.db2.gz YPQGLHKVAWMSTG-OAHLLOKOSA-N 2 0 338.521 2.250 10 0 EEAERP COCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001676675043 1357178976 /nfs/dbraw/zinc/17/89/76/1357178976.db2.gz PUYXCMLOCSSNIO-VQIMIIECSA-N 2 0 347.503 2.367 10 0 EEAERP CCCCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001676768011 1357196871 /nfs/dbraw/zinc/19/68/71/1357196871.db2.gz RRTIEOJACHDUFR-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1cccnc1 ZINC001676893468 1357235221 /nfs/dbraw/zinc/23/52/21/1357235221.db2.gz JPRJARABZLOOKI-AEFFLSMTSA-N 2 0 332.492 2.283 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](CCc2cccs2)CC1)[NH+](C)C ZINC001677575044 1357360699 /nfs/dbraw/zinc/36/06/99/1357360699.db2.gz QPACUDXYRLYWDF-QGZVFWFLSA-N 2 0 335.517 2.379 10 0 EEAERP Cc1nc(CN2CC=C(CNC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cs1 ZINC001677603589 1357370538 /nfs/dbraw/zinc/37/05/38/1357370538.db2.gz WWLMXYVTSFKXPV-AWEZNQCLSA-N 2 0 348.516 2.042 10 0 EEAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001649442761 1353507799 /nfs/dbraw/zinc/50/77/99/1353507799.db2.gz NGNXFPUMYGCUOE-UONOGXRCSA-N 2 0 338.883 2.061 10 0 EEAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CC=C(Cl)Cl)CCCC1 ZINC001649443675 1353508611 /nfs/dbraw/zinc/50/86/11/1353508611.db2.gz KLADRAAINDLIHP-UHFFFAOYSA-N 2 0 334.291 2.420 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001649463348 1353519287 /nfs/dbraw/zinc/51/92/87/1353519287.db2.gz LBKJWPRSKCGYPA-HKUYNNGSSA-N 2 0 347.503 2.152 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001660283156 1354431265 /nfs/dbraw/zinc/43/12/65/1354431265.db2.gz SWVGBQRPOJKOBS-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1ncccc1C ZINC001660408901 1354460289 /nfs/dbraw/zinc/46/02/89/1354460289.db2.gz QPUIDTYPYNRJPU-SFHVURJKSA-N 2 0 332.492 2.203 10 0 EEAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1cnccn1 ZINC001660599342 1354498189 /nfs/dbraw/zinc/49/81/89/1354498189.db2.gz WCISRPABZHJLMM-INIZCTEOSA-N 2 0 347.507 2.098 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001660822101 1354544685 /nfs/dbraw/zinc/54/46/85/1354544685.db2.gz CZBNXHRVXKNPIV-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001661027822 1354575731 /nfs/dbraw/zinc/57/57/31/1354575731.db2.gz COHZSYBLEMROAE-QZTJIDSGSA-N 2 0 339.524 2.255 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001661435024 1354638175 /nfs/dbraw/zinc/63/81/75/1354638175.db2.gz DLFNDKUJYKDMBB-QAQDUYKDSA-N 2 0 345.487 2.095 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001661506259 1354646738 /nfs/dbraw/zinc/64/67/38/1354646738.db2.gz ZVXXFNQKNZDWBS-WGSAOQKQSA-N 2 0 329.488 2.342 10 0 EEAERP COCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554807 1354657499 /nfs/dbraw/zinc/65/74/99/1354657499.db2.gz GKLQRHFWNAYJFA-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001661613887 1354664901 /nfs/dbraw/zinc/66/49/01/1354664901.db2.gz ASAZVHROWOZMJN-IXDOHACOSA-N 2 0 335.517 2.402 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001663851326 1355042990 /nfs/dbraw/zinc/04/29/90/1355042990.db2.gz NCTDJESGKFZXPH-HNNXBMFYSA-N 2 0 327.831 2.121 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001663927551 1355054136 /nfs/dbraw/zinc/05/41/36/1355054136.db2.gz DICYDFJDMSVXAZ-SFHVURJKSA-N 2 0 347.503 2.424 10 0 EEAERP C[C@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001664467450 1355171668 /nfs/dbraw/zinc/17/16/68/1355171668.db2.gz LSFLIBXPNDHUEM-DOTOQJQBSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCc1ccccc1 ZINC001665787489 1355388238 /nfs/dbraw/zinc/38/82/38/1355388238.db2.gz GHAGVPRYDBWHNZ-UXHICEINSA-N 2 0 343.515 2.445 10 0 EEAERP O=C(NC1(C[NH2+]CCC(F)(F)F)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001665921676 1355410472 /nfs/dbraw/zinc/41/04/72/1355410472.db2.gz RQFHOHRSLJQBPW-CQSZACIVSA-N 2 0 347.425 2.299 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001666031612 1355428252 /nfs/dbraw/zinc/42/82/52/1355428252.db2.gz DXFUDAPODQNBNV-DOMZBBRYSA-N 2 0 335.414 2.155 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001666469138 1355529637 /nfs/dbraw/zinc/52/96/37/1355529637.db2.gz NZGLABBAMFAIJI-CQSZACIVSA-N 2 0 335.414 2.251 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CCOC(C)C)ccc2c[nH+]cn21 ZINC001666573360 1355546827 /nfs/dbraw/zinc/54/68/27/1355546827.db2.gz LFFJKVFFISSTOM-CQSZACIVSA-N 2 0 332.448 2.023 10 0 EEAERP CCCCOCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001666838541 1355600147 /nfs/dbraw/zinc/60/01/47/1355600147.db2.gz SARULGPRUMZRPZ-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001667257098 1355689205 /nfs/dbraw/zinc/68/92/05/1355689205.db2.gz BAHFHHVUHZWLRY-MOPGFXCFSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H](CC[NH2+]Cc1cccc2cccnc21)NC(=O)CC[NH+](C)C ZINC001668197474 1355897333 /nfs/dbraw/zinc/89/73/33/1355897333.db2.gz OMSYLTITYLHTLS-OAHLLOKOSA-N 2 0 328.460 2.171 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001668235191 1355906198 /nfs/dbraw/zinc/90/61/98/1355906198.db2.gz ZWEGWKNPPJUZGW-DOTOQJQBSA-N 2 0 347.507 2.034 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668641487 1355978010 /nfs/dbraw/zinc/97/80/10/1355978010.db2.gz RGCZHTDTASDTNC-AWEZNQCLSA-N 2 0 341.858 2.369 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001669189315 1356120705 /nfs/dbraw/zinc/12/07/05/1356120705.db2.gz MTICJLOIKSIZIK-GNAXCBTBSA-N 2 0 341.499 2.464 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001669446755 1356161208 /nfs/dbraw/zinc/16/12/08/1356161208.db2.gz WCAUKAXHYHCYQG-ZIAGYGMSSA-N 2 0 329.435 2.002 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001669715024 1356198512 /nfs/dbraw/zinc/19/85/12/1356198512.db2.gz AOWFTGFOTUOBPI-FUHWJXTLSA-N 2 0 341.499 2.297 10 0 EEAERP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001671342407 1356330209 /nfs/dbraw/zinc/33/02/09/1356330209.db2.gz JSBACKRGEPLRPU-IBGZPJMESA-N 2 0 329.488 2.152 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCCCF)C1 ZINC001671897510 1356434099 /nfs/dbraw/zinc/43/40/99/1356434099.db2.gz KROHSIOKMOPYRP-AEFFLSMTSA-N 2 0 327.488 2.439 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](CC[NH2+]CCCCCF)C1 ZINC001672795364 1356585582 /nfs/dbraw/zinc/58/55/82/1356585582.db2.gz BDPSVYGXJXFODV-WMZOPIPTSA-N 2 0 339.499 2.296 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001672816916 1356591892 /nfs/dbraw/zinc/59/18/92/1356591892.db2.gz ZCIIERZWIZTICZ-YJBOKZPZSA-N 2 0 348.491 2.050 10 0 EEAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C3CC3)no2)C1)[NH+](C)C ZINC001672896542 1356609600 /nfs/dbraw/zinc/60/96/00/1356609600.db2.gz HUZJHSNFVHAXLR-KBXCAEBGSA-N 2 0 348.491 2.220 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2CC(C[NH2+]CCCF)C2)C1 ZINC001674579276 1356860241 /nfs/dbraw/zinc/86/02/41/1356860241.db2.gz VVBPPYOVJAGCTB-MQBCKMQZSA-N 2 0 331.451 2.043 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1cncs1 ZINC001691751821 1356863725 /nfs/dbraw/zinc/86/37/25/1356863725.db2.gz RTZWCXMIXDPGDZ-HNNXBMFYSA-N 2 0 338.521 2.202 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001690620955 1404931053 /nfs/dbraw/zinc/93/10/53/1404931053.db2.gz KMGVZNINEJONML-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001698791963 1405066546 /nfs/dbraw/zinc/06/65/46/1405066546.db2.gz ICRFMJDFEPKXMS-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001698919630 1405161488 /nfs/dbraw/zinc/16/14/88/1405161488.db2.gz CXYZFMNTNRZVOG-ROUUACIJSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001698922135 1405163854 /nfs/dbraw/zinc/16/38/54/1405163854.db2.gz BRDCZEUPRSCKJE-IEBWSBKVSA-N 2 0 344.503 2.203 10 0 EEAERP COCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699018715 1405233371 /nfs/dbraw/zinc/23/33/71/1405233371.db2.gz DRGZZANYXQWEKS-QAPCUYQASA-N 2 0 344.459 2.167 10 0 EEAERP COCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001699680577 1405437965 /nfs/dbraw/zinc/43/79/65/1405437965.db2.gz FBUOZKLBEKIJLX-AYHJJNSGSA-N 2 0 349.519 2.011 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001699820350 1405509726 /nfs/dbraw/zinc/50/97/26/1405509726.db2.gz YJVSSQSDSHAODF-MJGOQNOKSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001699827937 1405513903 /nfs/dbraw/zinc/51/39/03/1405513903.db2.gz UYQZLJZDUILYML-MRXNPFEDSA-N 2 0 331.451 2.344 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001699885437 1405551524 /nfs/dbraw/zinc/55/15/24/1405551524.db2.gz FJTJBKSIUWGQHD-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC000846700583 790439133 /nfs/dbraw/zinc/43/91/33/790439133.db2.gz YGEVROOLAIDYTA-KURKYZTESA-N 2 0 337.508 2.140 10 0 EEAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000353528669 776347231 /nfs/dbraw/zinc/34/72/31/776347231.db2.gz OOOZOMSACMFQFP-INIZCTEOSA-N 2 0 347.507 2.003 10 0 EEAERP C[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000261679092 780005730 /nfs/dbraw/zinc/00/57/30/780005730.db2.gz HIBHRAKSWLVYJM-LPHOPBHVSA-N 2 0 325.456 2.353 10 0 EEAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912598847 788255241 /nfs/dbraw/zinc/25/52/41/788255241.db2.gz HBWSSKHIIGRDOS-HUUCEWRRSA-N 2 0 327.538 2.050 10 0 EEAERP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000711360042 788765770 /nfs/dbraw/zinc/76/57/70/788765770.db2.gz LOLGYWUQVUEXDM-MSOLQXFVSA-N 2 0 329.488 2.260 10 0 EEAERP CCc1[nH]nc(Cl)c1C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000921527012 789026321 /nfs/dbraw/zinc/02/63/21/789026321.db2.gz KWQWZNJTQSVBSU-UHFFFAOYSA-N 2 0 327.904 2.133 10 0 EEAERP CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318297 789359967 /nfs/dbraw/zinc/35/99/67/789359967.db2.gz YSNCCLYKXREGMM-ROUUACIJSA-N 2 0 336.451 2.196 10 0 EEAERP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923495920 789653841 /nfs/dbraw/zinc/65/38/41/789653841.db2.gz GEMRASWBQFXBEP-APWZRJJASA-N 2 0 347.503 2.145 10 0 EEAERP C[C@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)CN1CC[NH+](C)CC1 ZINC000921686079 794827948 /nfs/dbraw/zinc/82/79/48/794827948.db2.gz NJRDELJTFQDVMH-MRXNPFEDSA-N 2 0 333.524 2.051 10 0 EEAERP CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OCCO ZINC000716691700 796443062 /nfs/dbraw/zinc/44/30/62/796443062.db2.gz KJSOXFIZRGAHGD-OTWHNJEPSA-N 2 0 332.488 2.417 10 0 EEAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000922416745 801028322 /nfs/dbraw/zinc/02/83/22/801028322.db2.gz JLYXHDUTXLNYIA-ONIAQPFYSA-N 2 0 332.492 2.378 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C)nn3C)cn2)CC1 ZINC000793524214 810381603 /nfs/dbraw/zinc/38/16/03/810381603.db2.gz KSXRZPCEHMDIMD-MRXNPFEDSA-N 2 0 342.491 2.116 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001566072272 1125545891 /nfs/dbraw/zinc/54/58/91/1125545891.db2.gz RWLXUYRHJWOQOI-ULQDDVLXSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1F ZINC001566550239 1125722004 /nfs/dbraw/zinc/72/20/04/1125722004.db2.gz FHXILQXURBCEFF-GOSISDBHSA-N 2 0 347.478 2.496 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001436417334 1087772521 /nfs/dbraw/zinc/77/25/21/1087772521.db2.gz PBMLTOFVDOSELP-NWDGAFQWSA-N 2 0 344.912 2.123 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001436460350 1087913186 /nfs/dbraw/zinc/91/31/86/1087913186.db2.gz PRTZCUINIFAGRG-BBWFWOEESA-N 2 0 341.515 2.493 10 0 EEAERP Cc1ncoc1C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001436473926 1087938935 /nfs/dbraw/zinc/93/89/35/1087938935.db2.gz XCOMWXLQHYKWSL-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(COC)cc2)C1 ZINC001436695381 1088156011 /nfs/dbraw/zinc/15/60/11/1088156011.db2.gz NNCWWBCUOUATBT-IBGZPJMESA-N 2 0 347.503 2.255 10 0 EEAERP COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001436872043 1088524025 /nfs/dbraw/zinc/52/40/25/1088524025.db2.gz NTKBJIZRPNHOIU-RDJZCZTQSA-N 2 0 333.476 2.289 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]C/C=C\c3ccc(Cl)cc3)C2)C1 ZINC001436878317 1088528098 /nfs/dbraw/zinc/52/80/98/1088528098.db2.gz POXFMEULUIUDPH-IFEGVLKZSA-N 2 0 347.890 2.495 10 0 EEAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1)[NH+]1CCCC1 ZINC001436913395 1088570881 /nfs/dbraw/zinc/57/08/81/1088570881.db2.gz ZGXFPBQKUPGHGX-RLNRARFGSA-N 2 0 334.291 2.417 10 0 EEAERP Cc1oncc1C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001437058003 1088954915 /nfs/dbraw/zinc/95/49/15/1088954915.db2.gz GFMAYPWZEZMHGG-HOCLYGCPSA-N 2 0 336.480 2.040 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)s1 ZINC001437126171 1089109565 /nfs/dbraw/zinc/10/95/65/1089109565.db2.gz BUOHCRGTSZNCMR-DMDPSCGWSA-N 2 0 329.897 2.336 10 0 EEAERP CC[C@H]([NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001437232985 1089327132 /nfs/dbraw/zinc/32/71/32/1089327132.db2.gz CFBDKTLKAZAJKG-PBHICJAKSA-N 2 0 333.451 2.467 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+][C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC001437233767 1089331232 /nfs/dbraw/zinc/33/12/32/1089331232.db2.gz LVOALTCGICGNPO-HZPDHXFCSA-N 2 0 347.507 2.061 10 0 EEAERP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001437326335 1089494782 /nfs/dbraw/zinc/49/47/82/1089494782.db2.gz KGFHIALSXSHSCY-MSOLQXFVSA-N 2 0 346.519 2.221 10 0 EEAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001437407925 1089686695 /nfs/dbraw/zinc/68/66/95/1089686695.db2.gz FCFGKLDBXWXGPO-IAGOWNOFSA-N 2 0 339.524 2.162 10 0 EEAERP COc1ccc(C[N@H+](C)CCNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001437488102 1089854942 /nfs/dbraw/zinc/85/49/42/1089854942.db2.gz ZUOAPSAFZSOAPZ-UHFFFAOYSA-N 2 0 345.487 2.119 10 0 EEAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cccnc1C ZINC001438321727 1090796393 /nfs/dbraw/zinc/79/63/93/1090796393.db2.gz ITHSMXVHZUFCES-QGZVFWFLSA-N 2 0 332.492 2.249 10 0 EEAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001438374122 1090853303 /nfs/dbraw/zinc/85/33/03/1090853303.db2.gz IULPLHBOSZIUQL-MSOLQXFVSA-N 2 0 347.503 2.330 10 0 EEAERP CC[NH+]1CCC(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001438456501 1090965796 /nfs/dbraw/zinc/96/57/96/1090965796.db2.gz VZMVTDZQHJPFTQ-UHFFFAOYSA-N 2 0 327.432 2.119 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438720470 1091247237 /nfs/dbraw/zinc/24/72/37/1091247237.db2.gz JKIKZPUTRVXYHD-CABCVRRESA-N 2 0 331.451 2.344 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480224 1091260175 /nfs/dbraw/zinc/26/01/75/1091260175.db2.gz ISEZVOJMQVZONH-KDOFPFPSSA-N 2 0 345.462 2.393 10 0 EEAERP CN(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001438880442 1091526467 /nfs/dbraw/zinc/52/64/67/1091526467.db2.gz IHTZVTXBSNFGSE-OAHLLOKOSA-N 2 0 331.451 2.296 10 0 EEAERP CN(CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)C12CC[NH+](CC1)C2 ZINC001438930476 1091610093 /nfs/dbraw/zinc/61/00/93/1091610093.db2.gz VXZXVQCUEDANJG-GOSISDBHSA-N 2 0 345.462 2.299 10 0 EEAERP C[C@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445817267 1091695425 /nfs/dbraw/zinc/69/54/25/1091695425.db2.gz PZHGPBKWVBVOMQ-QAPCUYQASA-N 2 0 329.488 2.452 10 0 EEAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC001439211900 1091854421 /nfs/dbraw/zinc/85/44/21/1091854421.db2.gz CISUOUSDYUGKFP-SUMWQHHRSA-N 2 0 339.430 2.432 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001439214707 1091859396 /nfs/dbraw/zinc/85/93/96/1091859396.db2.gz OWVOOBHFGRDBMQ-QFBILLFUSA-N 2 0 344.503 2.391 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC001445981114 1091942427 /nfs/dbraw/zinc/94/24/27/1091942427.db2.gz NUTBOUKQRBNABI-QFBILLFUSA-N 2 0 329.488 2.321 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](Cc1cnc(C)o1)CC2 ZINC001446328891 1092527374 /nfs/dbraw/zinc/52/73/74/1092527374.db2.gz IMYQKRZLYZRURF-UHFFFAOYSA-N 2 0 348.491 2.139 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001439678223 1092619156 /nfs/dbraw/zinc/61/91/56/1092619156.db2.gz RGFJQWKIPVFHKM-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP Cc1ccncc1C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001439718839 1092679866 /nfs/dbraw/zinc/67/98/66/1092679866.db2.gz QZFQGKKZQLFINZ-HXUWFJFHSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001439809846 1092773574 /nfs/dbraw/zinc/77/35/74/1092773574.db2.gz DLFWSHUBKAVOLK-HZPDHXFCSA-N 2 0 325.472 2.095 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001439854650 1092875251 /nfs/dbraw/zinc/87/52/51/1092875251.db2.gz RTYPDXUYSPQXDF-GDBMZVCRSA-N 2 0 331.451 2.344 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001439914506 1092989868 /nfs/dbraw/zinc/98/98/68/1092989868.db2.gz UBKYKKPZYCQZAY-IEBWSBKVSA-N 2 0 333.520 2.347 10 0 EEAERP Cc1cncc(C[NH+]2CCC(C)(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001439920898 1092999512 /nfs/dbraw/zinc/99/95/12/1092999512.db2.gz DEXSCNDMKAEHOS-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cncs2)C3)CCC1 ZINC001440098610 1093162495 /nfs/dbraw/zinc/16/24/95/1093162495.db2.gz MITKHTWOCXQGOY-KKUMJFAQSA-N 2 0 348.516 2.097 10 0 EEAERP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001440203969 1093275471 /nfs/dbraw/zinc/27/54/71/1093275471.db2.gz RAMXCGMJDFIJJO-ROUUACIJSA-N 2 0 348.491 2.197 10 0 EEAERP CN(C[C@@H]1CC[N@@H+]1CCc1ccccc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001440267394 1093379407 /nfs/dbraw/zinc/37/94/07/1093379407.db2.gz TYMHHXTUNPSNJN-MOPGFXCFSA-N 2 0 329.488 2.104 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]Cc2ccccn2)CCC1 ZINC001440351355 1093504289 /nfs/dbraw/zinc/50/42/89/1093504289.db2.gz FYYIXXDHPDIXKX-IYBDPMFKSA-N 2 0 330.476 2.083 10 0 EEAERP CCc1cccc(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CCC2)c1 ZINC001440357847 1093517281 /nfs/dbraw/zinc/51/72/81/1093517281.db2.gz QJLIQEOOZLPGFS-UHFFFAOYSA-N 2 0 341.499 2.473 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC001440464895 1093687099 /nfs/dbraw/zinc/68/70/99/1093687099.db2.gz KROOWUAYBBKHDS-MRXNPFEDSA-N 2 0 336.480 2.186 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001440496715 1093737400 /nfs/dbraw/zinc/73/74/00/1093737400.db2.gz PIQYAAWBOYMKCU-BMFZPTHFSA-N 2 0 343.462 2.485 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC001448673634 1093740214 /nfs/dbraw/zinc/74/02/14/1093740214.db2.gz LSHGLUWNNSDCQG-RDTXWAMCSA-N 2 0 348.491 2.363 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001448778735 1093857735 /nfs/dbraw/zinc/85/77/35/1093857735.db2.gz WRCGKBNWXFUFCE-AEFFLSMTSA-N 2 0 343.515 2.454 10 0 EEAERP Cc1ccc(C[NH2+]CC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)cc1F ZINC001440764631 1094005356 /nfs/dbraw/zinc/00/53/56/1094005356.db2.gz XGSXCKFWQIIQIW-UHFFFAOYSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001449007899 1094008089 /nfs/dbraw/zinc/00/80/89/1094008089.db2.gz HURVZBSRFMKWQT-MPGHIAIKSA-N 2 0 325.472 2.190 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)[NH+](C)C ZINC001449086949 1094099818 /nfs/dbraw/zinc/09/98/18/1094099818.db2.gz IXTKCPVJYQIHDD-OLZOCXBDSA-N 2 0 337.430 2.352 10 0 EEAERP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001449093064 1094104325 /nfs/dbraw/zinc/10/43/25/1094104325.db2.gz RPTKWPDGXYQHQK-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001440859895 1094122157 /nfs/dbraw/zinc/12/21/57/1094122157.db2.gz OYOUXQQSSPXTBJ-VXGBXAGGSA-N 2 0 329.897 2.480 10 0 EEAERP Cc1cccnc1C[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440880798 1094139357 /nfs/dbraw/zinc/13/93/57/1094139357.db2.gz AMZOXLYNTXSTPH-KRWDZBQOSA-N 2 0 346.519 2.306 10 0 EEAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCOc1ccccc1 ZINC001440957973 1094212523 /nfs/dbraw/zinc/21/25/23/1094212523.db2.gz UKWQDOCWPQOHIR-QGZVFWFLSA-N 2 0 347.503 2.376 10 0 EEAERP COc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C)c1 ZINC001449292975 1094243801 /nfs/dbraw/zinc/24/38/01/1094243801.db2.gz GPNBRVXDIMUVPP-ROUUACIJSA-N 2 0 347.503 2.410 10 0 EEAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCF)CC1 ZINC001449351341 1094311139 /nfs/dbraw/zinc/31/11/39/1094311139.db2.gz JUURYFCFEHPGQX-HZPDHXFCSA-N 2 0 327.488 2.437 10 0 EEAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2nccs2)CCCCC1 ZINC001441108001 1094420188 /nfs/dbraw/zinc/42/01/88/1094420188.db2.gz UZHVVJZVKMPVJB-UHFFFAOYSA-N 2 0 338.521 2.394 10 0 EEAERP CCCC[C@@H](C[NH2+]Cc1cncc(C)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441116918 1094435198 /nfs/dbraw/zinc/43/51/98/1094435198.db2.gz LRQMKZLLTIBWES-ROUUACIJSA-N 2 0 332.492 2.249 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001441198168 1094558476 /nfs/dbraw/zinc/55/84/76/1094558476.db2.gz FIXBYDAETZOYMQ-QZTJIDSGSA-N 2 0 348.466 2.080 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001441250641 1094644864 /nfs/dbraw/zinc/64/48/64/1094644864.db2.gz LXYTVMYTJXOHQQ-IRXDYDNUSA-N 2 0 327.488 2.339 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3coc(C)n3)C[C@@H]2C1 ZINC001441343319 1094847246 /nfs/dbraw/zinc/84/72/46/1094847246.db2.gz UGBUFGBILJDLPU-IXDOHACOSA-N 2 0 348.491 2.042 10 0 EEAERP CCc1noc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001441351840 1094866273 /nfs/dbraw/zinc/86/62/73/1094866273.db2.gz KOLYGKVOVIGVNE-SHTZXODSSA-N 2 0 348.491 2.014 10 0 EEAERP COc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001441354009 1094867856 /nfs/dbraw/zinc/86/78/56/1094867856.db2.gz PREBUNXHZOWPNX-QAQDUYKDSA-N 2 0 345.487 2.164 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)C1)CC(C)(C)C ZINC001441508134 1095195675 /nfs/dbraw/zinc/19/56/75/1095195675.db2.gz KCNCFESJFVBTSA-CALCHBBNSA-N 2 0 339.524 2.018 10 0 EEAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001441629193 1095511950 /nfs/dbraw/zinc/51/19/50/1095511950.db2.gz SMUJENBFVQDCBS-WMLDXEAASA-N 2 0 327.488 2.293 10 0 EEAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1Cl)[NH+](C)C ZINC001441861158 1095964135 /nfs/dbraw/zinc/96/41/35/1095964135.db2.gz XXQDKKYAOBUZBE-SMDDNHRTSA-N 2 0 329.847 2.414 10 0 EEAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1Cl)[NH+](C)C ZINC001441861153 1095965036 /nfs/dbraw/zinc/96/50/36/1095965036.db2.gz XXQDKKYAOBUZBE-BXUZGUMPSA-N 2 0 329.847 2.414 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441940251 1096136994 /nfs/dbraw/zinc/13/69/94/1096136994.db2.gz OOPDYQGFNHVEFD-CYBMUJFWSA-N 2 0 336.480 2.043 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)n1 ZINC001442187536 1096459692 /nfs/dbraw/zinc/45/96/92/1096459692.db2.gz UHCDFDJVTWVIND-ZDUSSCGKSA-N 2 0 326.510 2.024 10 0 EEAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nc2ccccc2o1 ZINC001442258785 1096560017 /nfs/dbraw/zinc/56/00/17/1096560017.db2.gz QAJOHRIHLWVCSZ-GDBMZVCRSA-N 2 0 344.459 2.297 10 0 EEAERP CCc1nocc1C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001442864818 1097258443 /nfs/dbraw/zinc/25/84/43/1097258443.db2.gz NUKHYOLBUVCWPB-RDJZCZTQSA-N 2 0 348.491 2.050 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCCc3ccccc3)C2)C1 ZINC001442883878 1097278665 /nfs/dbraw/zinc/27/86/65/1097278665.db2.gz DFEUFDGPKQTTIF-ICSRJNTNSA-N 2 0 343.515 2.399 10 0 EEAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC001442964066 1097386063 /nfs/dbraw/zinc/38/60/63/1097386063.db2.gz QOSMXADJBUTQFP-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP COc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001443268174 1097749825 /nfs/dbraw/zinc/74/98/25/1097749825.db2.gz ILDKAYKSSAITQN-GOSISDBHSA-N 2 0 345.487 2.119 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001443874364 1098400001 /nfs/dbraw/zinc/40/00/01/1098400001.db2.gz ISVLSCQMDBSXOQ-SFHVURJKSA-N 2 0 345.487 2.084 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]Cc1ccon1 ZINC001479525086 1098592118 /nfs/dbraw/zinc/59/21/18/1098592118.db2.gz LIGOAZCITRPHKL-NVXWUHKLSA-N 2 0 336.480 2.122 10 0 EEAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001479636572 1098664401 /nfs/dbraw/zinc/66/44/01/1098664401.db2.gz DSDNHTQWMAVXFJ-RCCFBDPRSA-N 2 0 339.524 2.112 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+][C@H](C)c2ncccn2)C1 ZINC001444159684 1098708004 /nfs/dbraw/zinc/70/80/04/1098708004.db2.gz NEEFFCDYNYJCAV-SJORKVTESA-N 2 0 347.507 2.096 10 0 EEAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001444169239 1098721086 /nfs/dbraw/zinc/72/10/86/1098721086.db2.gz LJQYZYJOTQMXBC-XIRDDKMYSA-N 2 0 327.488 2.483 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001480063595 1099592463 /nfs/dbraw/zinc/59/24/63/1099592463.db2.gz IYTLACRLWVDGLR-QGZVFWFLSA-N 2 0 337.414 2.045 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC001444739809 1099616125 /nfs/dbraw/zinc/61/61/25/1099616125.db2.gz BNGWMZCUMIDIPV-RTBURBONSA-N 2 0 346.519 2.413 10 0 EEAERP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1)c1cnccn1 ZINC001444788970 1099700285 /nfs/dbraw/zinc/70/02/85/1099700285.db2.gz OGWPZDIIFYSIDH-MAUKXSAKSA-N 2 0 347.507 2.144 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC001480188932 1099785082 /nfs/dbraw/zinc/78/50/82/1099785082.db2.gz JHHXSVVMRNVSEI-OALUTQOASA-N 2 0 344.503 2.236 10 0 EEAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1F ZINC001444904062 1099965375 /nfs/dbraw/zinc/96/53/75/1099965375.db2.gz BFJHJGHLLSHJIU-MAUKXSAKSA-N 2 0 335.467 2.398 10 0 EEAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC2(CCC2)C1 ZINC001444931737 1100034314 /nfs/dbraw/zinc/03/43/14/1100034314.db2.gz HFQPZFCTXLNWKB-KRWDZBQOSA-N 2 0 333.520 2.393 10 0 EEAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001444986227 1100114309 /nfs/dbraw/zinc/11/43/09/1100114309.db2.gz HJZJMFARSAURQU-HXUWFJFHSA-N 2 0 343.515 2.481 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ocnc2C)C1 ZINC001480386031 1100185862 /nfs/dbraw/zinc/18/58/62/1100185862.db2.gz JHAOQQGZFFLMDM-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ncoc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001445103944 1100337085 /nfs/dbraw/zinc/33/70/85/1100337085.db2.gz DDACFKFZAKWJGD-DLBZAZTESA-N 2 0 348.491 2.234 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC001480595476 1100443794 /nfs/dbraw/zinc/44/37/94/1100443794.db2.gz BAVAJLNHWFAQKT-OAHLLOKOSA-N 2 0 328.460 2.169 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495251877 1100947756 /nfs/dbraw/zinc/94/77/56/1100947756.db2.gz XKHBECGPTQDIRH-QUCCMNQESA-N 2 0 344.503 2.329 10 0 EEAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001496361285 1100954578 /nfs/dbraw/zinc/95/45/78/1100954578.db2.gz JHPCTXNBGPKYHB-UKRRQHHQSA-N 2 0 338.883 2.013 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)co1 ZINC001496416696 1101009905 /nfs/dbraw/zinc/00/99/05/1101009905.db2.gz WRZGXEAIABOMEA-KRWDZBQOSA-N 2 0 348.491 2.186 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001496420161 1101014314 /nfs/dbraw/zinc/01/43/14/1101014314.db2.gz VKYWHTPJFYCVFN-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP COCC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001495327158 1101034765 /nfs/dbraw/zinc/03/47/65/1101034765.db2.gz SVUWRHDIXHOBOG-MJGOQNOKSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496449670 1101041920 /nfs/dbraw/zinc/04/19/20/1101041920.db2.gz PEYSUXYDRAHTCR-DOTOQJQBSA-N 2 0 335.467 2.494 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001496462465 1101053381 /nfs/dbraw/zinc/05/33/81/1101053381.db2.gz QKHUNTKPGKTJSV-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccnc2)C1)[NH+]1CCCC1 ZINC001446597918 1101092260 /nfs/dbraw/zinc/09/22/60/1101092260.db2.gz BRHOQARNALEHFH-FQEVSTJZSA-N 2 0 344.503 2.284 10 0 EEAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001495471776 1101182832 /nfs/dbraw/zinc/18/28/32/1101182832.db2.gz DKCYAUNCKXBTOX-VQHPVUNQSA-N 2 0 325.472 2.380 10 0 EEAERP C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001446724144 1101295008 /nfs/dbraw/zinc/29/50/08/1101295008.db2.gz DUKCRSNSAOAGDQ-KBPBESRZSA-N 2 0 349.441 2.292 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC=C(Cl)Cl ZINC001495730664 1101495360 /nfs/dbraw/zinc/49/53/60/1101495360.db2.gz MJVPLCRZCZEUPW-AGIUHOORSA-N 2 0 336.307 2.378 10 0 EEAERP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)no1 ZINC001496871138 1101647878 /nfs/dbraw/zinc/64/78/78/1101647878.db2.gz WTTUOOVLUZQXNL-AEFFLSMTSA-N 2 0 348.491 2.138 10 0 EEAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001446976979 1101690309 /nfs/dbraw/zinc/69/03/09/1101690309.db2.gz ZVJLHJKPNKRPSG-ZBFHGGJFSA-N 2 0 335.517 2.274 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)sn1 ZINC001496925556 1101728405 /nfs/dbraw/zinc/72/84/05/1101728405.db2.gz UPXZFDXXEAUNLS-HOCLYGCPSA-N 2 0 338.521 2.166 10 0 EEAERP Cc1cnc(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CCCC2)s1 ZINC001495953444 1101821746 /nfs/dbraw/zinc/82/17/46/1101821746.db2.gz BPUWOVKPUVSOML-UHFFFAOYSA-N 2 0 348.516 2.066 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC001496063503 1101999666 /nfs/dbraw/zinc/99/96/66/1101999666.db2.gz IEWMOLMZEXABSU-QILLFSRXSA-N 2 0 335.467 2.493 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001497185392 1102089436 /nfs/dbraw/zinc/08/94/36/1102089436.db2.gz GEJSTTBQOUCYIC-HOCLYGCPSA-N 2 0 348.491 2.409 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497240425 1102179814 /nfs/dbraw/zinc/17/98/14/1102179814.db2.gz DQNVOSIPQBLAFH-DOTOQJQBSA-N 2 0 333.476 2.082 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncc(C)c1 ZINC001497329886 1102335804 /nfs/dbraw/zinc/33/58/04/1102335804.db2.gz FIKIWXSTCSUUPT-AEFFLSMTSA-N 2 0 332.492 2.249 10 0 EEAERP CCN(CCNCc1coc(C)n1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497400557 1102432479 /nfs/dbraw/zinc/43/24/79/1102432479.db2.gz IJKDLZYMIVSHSS-GOSISDBHSA-N 2 0 348.491 2.328 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1F ZINC001497612372 1102748571 /nfs/dbraw/zinc/74/85/71/1102748571.db2.gz AIPJQSGQSWNWES-WRFKIARRSA-N 2 0 333.451 2.380 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001497749146 1103015413 /nfs/dbraw/zinc/01/54/13/1103015413.db2.gz DMYAUFDPPXXURX-DDKKJVIOSA-N 2 0 341.499 2.149 10 0 EEAERP CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001447701297 1103137378 /nfs/dbraw/zinc/13/73/78/1103137378.db2.gz CZRWYAMZBKHJOJ-VQIMIIECSA-N 2 0 329.488 2.454 10 0 EEAERP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497895450 1103274547 /nfs/dbraw/zinc/27/45/47/1103274547.db2.gz RJSVBBHCACZFPL-CYBMUJFWSA-N 2 0 336.480 2.043 10 0 EEAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001447780847 1103318894 /nfs/dbraw/zinc/31/88/94/1103318894.db2.gz LEAHGBACEXPLPD-IRXDYDNUSA-N 2 0 327.488 2.389 10 0 EEAERP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497963594 1103424349 /nfs/dbraw/zinc/42/43/49/1103424349.db2.gz ZRNZTXJAKLVCFU-VXGBXAGGSA-N 2 0 329.897 2.338 10 0 EEAERP Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001494155003 1103614173 /nfs/dbraw/zinc/61/41/73/1103614173.db2.gz ALKHAQJGTKSJIT-INIZCTEOSA-N 2 0 335.467 2.366 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC001447942690 1103653682 /nfs/dbraw/zinc/65/36/82/1103653682.db2.gz UZJCIWOXNRTTKY-HOTGVXAUSA-N 2 0 345.487 2.306 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1ccc2cc[nH]c2c1 ZINC001448112535 1104032138 /nfs/dbraw/zinc/03/21/38/1104032138.db2.gz VIENVNFXWAPOON-OAHLLOKOSA-N 2 0 330.476 2.446 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCc1cccc(F)c1 ZINC001448137808 1104086735 /nfs/dbraw/zinc/08/67/35/1104086735.db2.gz WHNJMPZBJZYJKL-INIZCTEOSA-N 2 0 347.478 2.291 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1 ZINC001494656316 1104240872 /nfs/dbraw/zinc/24/08/72/1104240872.db2.gz PGXJNDVJPDNNRH-GBESFXJTSA-N 2 0 347.478 2.194 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCc2ccccc2)C1 ZINC001448322936 1104391048 /nfs/dbraw/zinc/39/10/48/1104391048.db2.gz TUTVNZNDARKITN-IRXDYDNUSA-N 2 0 329.488 2.007 10 0 EEAERP CCN1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001449564685 1104670021 /nfs/dbraw/zinc/67/00/21/1104670021.db2.gz SKHIHBDBBBNYJT-INIZCTEOSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1conc1C ZINC001495068709 1104707761 /nfs/dbraw/zinc/70/77/61/1104707761.db2.gz IRIQOWVZXUQUKW-IAGOWNOFSA-N 2 0 336.480 2.230 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001480597687 1106736922 /nfs/dbraw/zinc/73/69/22/1106736922.db2.gz SACVYOWXROUWLY-WMZOPIPTSA-N 2 0 347.503 2.472 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccncc1Cl ZINC001498048611 1106838297 /nfs/dbraw/zinc/83/82/97/1106838297.db2.gz MPVOVCYHAYKSKS-XJKSGUPXSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1ccncc1C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480743289 1107035935 /nfs/dbraw/zinc/03/59/35/1107035935.db2.gz YDLHXURGUIZXIC-GOSISDBHSA-N 2 0 332.492 2.153 10 0 EEAERP CC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CCC1CC1 ZINC001493023088 1107321679 /nfs/dbraw/zinc/32/16/79/1107321679.db2.gz RBIDYRRINJAUEP-GOSISDBHSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1noc(C)c1C[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001493110455 1107514062 /nfs/dbraw/zinc/51/40/62/1107514062.db2.gz KAURVQVMOJEOON-IRXDYDNUSA-N 2 0 348.491 2.246 10 0 EEAERP C[C@@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001498459417 1107569459 /nfs/dbraw/zinc/56/94/59/1107569459.db2.gz UNLHZNWIEUSMCT-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP Cc1cccc(C[NH+]2CCC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001493138922 1107579150 /nfs/dbraw/zinc/57/91/50/1107579150.db2.gz YHBPOEISUBKVEW-MJGOQNOKSA-N 2 0 329.488 2.417 10 0 EEAERP Cc1nocc1C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001493266320 1107810502 /nfs/dbraw/zinc/81/05/02/1107810502.db2.gz DWUSPIDMYUJNNP-SJLPKXTDSA-N 2 0 348.491 2.042 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001498737181 1107999680 /nfs/dbraw/zinc/99/96/80/1107999680.db2.gz XSXJFRFZTTXLNE-UXHICEINSA-N 2 0 341.499 2.254 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCCC(F)(F)F)C2CC2)C1 ZINC001498861487 1108238636 /nfs/dbraw/zinc/23/86/36/1108238636.db2.gz DMXZRXUIIBPKGY-KBPBESRZSA-N 2 0 335.414 2.155 10 0 EEAERP CCc1ccccc1CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001493549959 1108298485 /nfs/dbraw/zinc/29/84/85/1108298485.db2.gz DDQXEZPBEWDSFJ-VQIMIIECSA-N 2 0 331.504 2.180 10 0 EEAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C[C@H]1CCCOC1 ZINC001493864316 1108757261 /nfs/dbraw/zinc/75/72/61/1108757261.db2.gz KQPPNPTYPBWLTE-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC001465583997 1110420265 /nfs/dbraw/zinc/42/02/65/1110420265.db2.gz XQYPPEFLZTUTBH-JKSUJKDBSA-N 2 0 341.858 2.493 10 0 EEAERP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001470638286 1110509201 /nfs/dbraw/zinc/50/92/01/1110509201.db2.gz FDOSPCXLAWBUSF-SFHVURJKSA-N 2 0 345.462 2.043 10 0 EEAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001471485519 1110523160 /nfs/dbraw/zinc/52/31/60/1110523160.db2.gz MZNMCZCYQLGKAZ-LJQANCHMSA-N 2 0 346.519 2.069 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001479341875 1110683778 /nfs/dbraw/zinc/68/37/78/1110683778.db2.gz YCDCTYYPUIIOGX-HHXXYDBFSA-N 2 0 327.472 2.254 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001499620538 1112416896 /nfs/dbraw/zinc/41/68/96/1112416896.db2.gz XNZXHTIYOWUOFS-IBGZPJMESA-N 2 0 339.524 2.066 10 0 EEAERP C[C@@H]1C[C@H]([NH2+]Cc2ccon2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001499861299 1112519182 /nfs/dbraw/zinc/51/91/82/1112519182.db2.gz IGAPNPSQLPNUIN-IAGOWNOFSA-N 2 0 348.491 2.410 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(C)CCC[NH+](Cc3cccnc3)C2)C1 ZINC001500546771 1112937310 /nfs/dbraw/zinc/93/73/10/1112937310.db2.gz HEPVNTTXKCRMNG-XLIONFOSSA-N 2 0 344.503 2.142 10 0 EEAERP CC1CC(C[N@@H+]2CCC(F)(F)[C@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001500617124 1112979691 /nfs/dbraw/zinc/97/96/91/1112979691.db2.gz QGDOOXLPRPERQR-UYSNPLJNSA-N 2 0 343.462 2.202 10 0 EEAERP CC(C)c1ocnc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001501603658 1113396547 /nfs/dbraw/zinc/39/65/47/1113396547.db2.gz DWEJUAVYVYMSLK-DOTOQJQBSA-N 2 0 348.491 2.220 10 0 EEAERP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001502052816 1113571136 /nfs/dbraw/zinc/57/11/36/1113571136.db2.gz DBPMSUILDLJMAL-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC001505684380 1114129998 /nfs/dbraw/zinc/12/99/98/1114129998.db2.gz AOKVXDRHTKMCHR-VXGBXAGGSA-N 2 0 329.847 2.414 10 0 EEAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cccc(N(C)C)c1 ZINC001506039452 1114366266 /nfs/dbraw/zinc/36/62/66/1114366266.db2.gz UOYAWEUINMOESN-AEFFLSMTSA-N 2 0 346.519 2.031 10 0 EEAERP C[C@@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001506828373 1114898559 /nfs/dbraw/zinc/89/85/59/1114898559.db2.gz NDCWLJXMTWRODA-TVFCKZIOSA-N 2 0 339.499 2.295 10 0 EEAERP Cc1csc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001506930441 1114981842 /nfs/dbraw/zinc/98/18/42/1114981842.db2.gz VZQLITMEDTXGTF-UKRRQHHQSA-N 2 0 338.521 2.310 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1coc(C)n1 ZINC001506951873 1115000427 /nfs/dbraw/zinc/00/04/27/1115000427.db2.gz XAESFTRRTGOZCF-RHSMWYFYSA-N 2 0 336.480 2.232 10 0 EEAERP C[N@H+](CCC(F)(F)F)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001506970694 1115021025 /nfs/dbraw/zinc/02/10/25/1115021025.db2.gz ORELQTOJXXEAFY-CYBMUJFWSA-N 2 0 335.414 2.203 10 0 EEAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccccc21 ZINC001507118204 1115117665 /nfs/dbraw/zinc/11/76/65/1115117665.db2.gz MFCYWIAZTJMIIK-KXBFYZLASA-N 2 0 329.488 2.452 10 0 EEAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001507118461 1115117696 /nfs/dbraw/zinc/11/76/96/1115117696.db2.gz NYRFWAZFZRDDRU-STQMWFEESA-N 2 0 327.419 2.414 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001507426357 1115262654 /nfs/dbraw/zinc/26/26/54/1115262654.db2.gz FYZGDMAFQZHNOY-RBUKOAKNSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccnc2)C(C)(C)C)CC[N@@H+]1C ZINC001507949615 1115379151 /nfs/dbraw/zinc/37/91/51/1115379151.db2.gz UBBWSQLICWMBHK-OIISXLGYSA-N 2 0 332.492 2.042 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001508023863 1115391309 /nfs/dbraw/zinc/39/13/09/1115391309.db2.gz DXUFHKHSVKNZOP-IRXDYDNUSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001508073737 1115411909 /nfs/dbraw/zinc/41/19/09/1115411909.db2.gz JMYOBUQJDOGQJT-MFNCVGGLSA-N 2 0 327.900 2.440 10 0 EEAERP C[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C ZINC001541848307 1124108887 /nfs/dbraw/zinc/10/88/87/1124108887.db2.gz HNOGPZRTMKSSGB-INMHGKMJSA-N 2 0 346.523 2.169 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCc1ccccc1F)C1CC1 ZINC001568015948 1124231401 /nfs/dbraw/zinc/23/14/01/1124231401.db2.gz GLELWFSWBZTUBD-QUCCMNQESA-N 2 0 347.478 2.337 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2nocc2C)CC1)[NH+](C)C ZINC001568087767 1124292198 /nfs/dbraw/zinc/29/21/98/1124292198.db2.gz NAMQXUHBWCOYPD-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001568150388 1124327917 /nfs/dbraw/zinc/32/79/17/1124327917.db2.gz KEDOIEGHRHIUIT-MRXNPFEDSA-N 2 0 336.480 2.104 10 0 EEAERP CCCCOCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001568250880 1124386922 /nfs/dbraw/zinc/38/69/22/1124386922.db2.gz WQNOMRFPHHKQNG-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001568378058 1124447615 /nfs/dbraw/zinc/44/76/15/1124447615.db2.gz BQVWTLIAVVJYJP-MOPGFXCFSA-N 2 0 344.503 2.345 10 0 EEAERP O=C(N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001568397484 1124467634 /nfs/dbraw/zinc/46/76/34/1124467634.db2.gz ZVJQSIRBYAHKSU-AWEZNQCLSA-N 2 0 347.425 2.395 10 0 EEAERP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001568529263 1124592190 /nfs/dbraw/zinc/59/21/90/1124592190.db2.gz XRNFVRJZXUKPSH-OCCSQVGLSA-N 2 0 327.469 2.267 10 0 EEAERP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001568713754 1124731135 /nfs/dbraw/zinc/73/11/35/1124731135.db2.gz JGVPLKQDFMDGMM-GFCCVEGCSA-N 2 0 326.510 2.085 10 0 EEAERP Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568851533 1124872433 /nfs/dbraw/zinc/87/24/33/1124872433.db2.gz GIFDHEHJWOCKKG-HZQHCPKGSA-N 2 0 341.499 2.407 10 0 EEAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568923458 1124952641 /nfs/dbraw/zinc/95/26/41/1124952641.db2.gz RAUTYSHOPZGHCS-VYNKDHCKSA-N 2 0 347.478 2.342 10 0 EEAERP Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001569073344 1125081604 /nfs/dbraw/zinc/08/16/04/1125081604.db2.gz PZTJAHKAEMVQDP-KRWDZBQOSA-N 2 0 347.503 2.343 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001569168078 1125141444 /nfs/dbraw/zinc/14/14/44/1125141444.db2.gz GOTZLSWFKSZUFA-QZTJIDSGSA-N 2 0 339.524 2.019 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)C1CC[NH+](C)CC1 ZINC001569235646 1125185354 /nfs/dbraw/zinc/18/53/54/1125185354.db2.gz BGHSPCQLYOEKGB-UHFFFAOYSA-N 2 0 339.430 2.245 10 0 EEAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569256879 1125198907 /nfs/dbraw/zinc/19/89/07/1125198907.db2.gz NMAZJYLTNNBRQX-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CN(CCC[NH2+][C@@H]1CCCc2ccccc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569267109 1125206847 /nfs/dbraw/zinc/20/68/47/1125206847.db2.gz NFVBISVBTXAFOX-IEBWSBKVSA-N 2 0 329.488 2.454 10 0 EEAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000115806177 282130895 /nfs/dbraw/zinc/13/08/95/282130895.db2.gz LLJRMXVCOPYFGU-OALUTQOASA-N 2 0 346.519 2.143 10 0 EEAERP C[C@@](O)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173949236 231077564 /nfs/dbraw/zinc/07/75/64/231077564.db2.gz LSEVQQYDRPAGKV-HXUWFJFHSA-N 2 0 332.488 2.471 10 0 EEAERP CN(C)c1cc[nH+]cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000183480760 529799535 /nfs/dbraw/zinc/79/95/35/529799535.db2.gz HEVSVRQADVLLMH-UHFFFAOYSA-N 2 0 326.444 2.400 10 0 EEAERP COc1cc(C(N)=[NH2+])ccc1-c1ccnc(-c2ccc(C(N)=[NH2+])cc2)n1 ZINC000066099752 215010178 /nfs/dbraw/zinc/01/01/78/215010178.db2.gz NGOWUKNPFCFZGF-UHFFFAOYSA-N 2 0 346.394 2.387 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@]2(C)CCCC[C@H]2C)C1 ZINC000459612046 535116575 /nfs/dbraw/zinc/11/65/75/535116575.db2.gz LWBNMBONSDQSHV-ZHALLVOQSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[NH+]1CCN(c2cc(Br)ccc2CC[NH3+])CC1 ZINC000104254150 219365937 /nfs/dbraw/zinc/36/59/37/219365937.db2.gz ZCLBUBBFEXTYTG-UHFFFAOYSA-N 2 0 326.282 2.481 10 0 EEAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422880311 240272440 /nfs/dbraw/zinc/27/24/40/240272440.db2.gz WSLLAXZZUXFVGS-XLAORIBOSA-N 2 0 345.487 2.021 10 0 EEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079734002 217251842 /nfs/dbraw/zinc/25/18/42/217251842.db2.gz CSJKYVUUGIGNRA-WMZOPIPTSA-N 2 0 334.508 2.189 10 0 EEAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415990028 284580311 /nfs/dbraw/zinc/58/03/11/284580311.db2.gz BUTLKDBRMNPVCO-ZDUSSCGKSA-N 2 0 338.418 2.030 10 0 EEAERP CCSCC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000273776709 256326671 /nfs/dbraw/zinc/32/66/71/256326671.db2.gz RTRQCVZQVQPHCG-QGZVFWFLSA-N 2 0 335.517 2.227 10 0 EEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000248557491 160350251 /nfs/dbraw/zinc/35/02/51/160350251.db2.gz LLOBQBCCXLBXLF-IRXDYDNUSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)C[NH+]1CCCCC1 ZINC000068115281 159016224 /nfs/dbraw/zinc/01/62/24/159016224.db2.gz NYIOVUQMERBIHB-KRWDZBQOSA-N 2 0 347.503 2.479 10 0 EEAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091333058 159205877 /nfs/dbraw/zinc/20/58/77/159205877.db2.gz MOVCYFNHEHHYPR-AWEZNQCLSA-N 2 0 339.505 2.107 10 0 EEAERP COc1cc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000246710824 160290761 /nfs/dbraw/zinc/29/07/61/160290761.db2.gz FGGGZZPEIJBTQZ-KBXCAEBGSA-N 2 0 347.459 2.058 10 0 EEAERP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C[C@H](C)O ZINC000247356607 160321820 /nfs/dbraw/zinc/32/18/20/160321820.db2.gz HADRTRHUNWOOAH-MAUKXSAKSA-N 2 0 348.491 2.057 10 0 EEAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000247656912 160330601 /nfs/dbraw/zinc/33/06/01/160330601.db2.gz YQBYFAAUMLHCLE-ROUUACIJSA-N 2 0 330.476 2.087 10 0 EEAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1=O ZINC000248403858 160343740 /nfs/dbraw/zinc/34/37/40/160343740.db2.gz PGTCIPYPQLJCQV-UAFMIMERSA-N 2 0 341.499 2.498 10 0 EEAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[NH+](C3CC3)C[C@H]1C)CC2 ZINC000342336166 161057083 /nfs/dbraw/zinc/05/70/83/161057083.db2.gz IHOKEUWQVCCOQZ-NRSFXHEJSA-N 2 0 334.508 2.126 10 0 EEAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000360785192 164379943 /nfs/dbraw/zinc/37/99/43/164379943.db2.gz CZKHNIBKIKPKHA-CQSZACIVSA-N 2 0 338.471 2.417 10 0 EEAERP CCC[NH+](CCC)CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000364214533 165056586 /nfs/dbraw/zinc/05/65/86/165056586.db2.gz LJIPVNQYCUCZPC-TXPKVOOTSA-N 2 0 339.524 2.147 10 0 EEAERP Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272762001 269016335 /nfs/dbraw/zinc/01/63/35/269016335.db2.gz GAPAZHOLOQRQGV-PBHICJAKSA-N 2 0 331.464 2.016 10 0 EEAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1N(C)C)C(=O)NCC[NH+](C)C ZINC000347248733 279195733 /nfs/dbraw/zinc/19/57/33/279195733.db2.gz MEVHRKRBVUDVHM-AEFFLSMTSA-N 2 0 348.535 2.496 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000265165764 289223275 /nfs/dbraw/zinc/22/32/75/289223275.db2.gz HJSXYJFTSZWIOC-QZTJIDSGSA-N 2 0 348.466 2.313 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454712 290216683 /nfs/dbraw/zinc/21/66/83/290216683.db2.gz LQCXYQSQMOKUEN-CEXWTWQISA-N 2 0 335.536 2.484 10 0 EEAERP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000333604526 312172274 /nfs/dbraw/zinc/17/22/74/312172274.db2.gz PWWKQMJBOYSABP-MJBXVCDLSA-N 2 0 334.489 2.469 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414728590 313070331 /nfs/dbraw/zinc/07/03/31/313070331.db2.gz CJHBBRDGLYQCEU-CVEARBPZSA-N 2 0 345.491 2.091 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cccs1 ZINC000416435631 313222345 /nfs/dbraw/zinc/22/23/45/313222345.db2.gz GECKSCDLOPUXGF-RHSMWYFYSA-N 2 0 336.505 2.136 10 0 EEAERP [NH3+]CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(F)F ZINC000416872546 313342714 /nfs/dbraw/zinc/34/27/14/313342714.db2.gz LYYKQTLGWUSQOS-HNNXBMFYSA-N 2 0 340.418 2.064 10 0 EEAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416907949 313356582 /nfs/dbraw/zinc/35/65/82/313356582.db2.gz VJXNXTNYPWSUJO-RTBURBONSA-N 2 0 342.487 2.176 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000417162410 313438451 /nfs/dbraw/zinc/43/84/51/313438451.db2.gz RIVPSUGAGZVOHX-AWEZNQCLSA-N 2 0 330.476 2.380 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000417372964 313497653 /nfs/dbraw/zinc/49/76/53/313497653.db2.gz ACDIBOAMMVNYIL-SFHVURJKSA-N 2 0 336.524 2.282 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417542184 313536922 /nfs/dbraw/zinc/53/69/22/313536922.db2.gz ZODOERCFVULIAI-JFIYKMOQSA-N 2 0 336.524 2.423 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000418709843 313886140 /nfs/dbraw/zinc/88/61/40/313886140.db2.gz VEQHOMINZBPFMJ-CHWSQXEVSA-N 2 0 326.872 2.149 10 0 EEAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000523907495 317004738 /nfs/dbraw/zinc/00/47/38/317004738.db2.gz HAJJKQPIXWOBAX-RBUKOAKNSA-N 2 0 346.519 2.189 10 0 EEAERP C[NH+]1CCN(CCC[NH2+]Cc2ccsc2Br)CC1 ZINC000527632912 317234160 /nfs/dbraw/zinc/23/41/60/317234160.db2.gz QBDNUWPQWWCSFC-UHFFFAOYSA-N 2 0 332.311 2.238 10 0 EEAERP CCc1nn(C)c(CC)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248556 317704421 /nfs/dbraw/zinc/70/44/21/317704421.db2.gz MJTALESBZNKPRJ-MRXNPFEDSA-N 2 0 334.508 2.135 10 0 EEAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000563549035 319022699 /nfs/dbraw/zinc/02/26/99/319022699.db2.gz MQJRQTWFGYGPIF-OWCLPIDISA-N 2 0 329.423 2.259 10 0 EEAERP CN1CC[NH+](CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000563856721 319048928 /nfs/dbraw/zinc/04/89/28/319048928.db2.gz ANNKLJVEAOCPJD-UHFFFAOYSA-N 2 0 345.516 2.322 10 0 EEAERP COc1ncccc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088807 319242836 /nfs/dbraw/zinc/24/28/36/319242836.db2.gz PYEYABPJMUFPEO-XLIONFOSSA-N 2 0 339.439 2.478 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)COC1CCC([NH3+])CC1 ZINC000567748646 319415164 /nfs/dbraw/zinc/41/51/64/319415164.db2.gz BKARWRJKVZJITN-UHFFFAOYSA-N 2 0 347.503 2.431 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)COC2CCC([NH3+])CC2)[NH+]2CCCC2)o1 ZINC000567764111 319416411 /nfs/dbraw/zinc/41/64/11/319416411.db2.gz IQBCJOMSHKRUMB-OFLPRAFFSA-N 2 0 349.475 2.128 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000582170707 324394698 /nfs/dbraw/zinc/39/46/98/324394698.db2.gz LKWHERPBQIIVME-APWZRJJASA-N 2 0 344.503 2.470 10 0 EEAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568151886 468279035 /nfs/dbraw/zinc/27/90/35/468279035.db2.gz OSBHXLRXWPBMLZ-LPHOPBHVSA-N 2 0 327.472 2.277 10 0 EEAERP CN(CC[N@H+](C)CCN1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000089269378 462661305 /nfs/dbraw/zinc/66/13/05/462661305.db2.gz YRAQVHKYGFUVCX-UHFFFAOYSA-N 2 0 344.547 2.397 10 0 EEAERP OCC[NH2+]CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013732908 462903425 /nfs/dbraw/zinc/90/34/25/462903425.db2.gz DPADRPCYDMNBDG-UHFFFAOYSA-N 2 0 332.419 2.466 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000077793500 463048957 /nfs/dbraw/zinc/04/89/57/463048957.db2.gz VMUORHHPWUAZJG-HIFRSBDPSA-N 2 0 326.510 2.380 10 0 EEAERP CC(=O)Nc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121147975 463087749 /nfs/dbraw/zinc/08/77/49/463087749.db2.gz FOMDGJWUPQXAHE-OAHLLOKOSA-N 2 0 333.476 2.170 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000072955528 463566127 /nfs/dbraw/zinc/56/61/27/463566127.db2.gz IRGLMSYUFOLCHE-UHFFFAOYSA-N 2 0 344.503 2.455 10 0 EEAERP CCC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000073793464 463656766 /nfs/dbraw/zinc/65/67/66/463656766.db2.gz UZLGBOCXDYAXIX-IBGZPJMESA-N 2 0 346.519 2.333 10 0 EEAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073793556 463656946 /nfs/dbraw/zinc/65/69/46/463656946.db2.gz NOVOUQZLNADGNJ-OALUTQOASA-N 2 0 346.519 2.285 10 0 EEAERP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000268501895 463770057 /nfs/dbraw/zinc/77/00/57/463770057.db2.gz IDOIOBWVDUZJLS-LJQANCHMSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCC(O)CC1 ZINC000268804215 463790168 /nfs/dbraw/zinc/79/01/68/463790168.db2.gz BXSKGPNWEWULMD-NQIIRXRSSA-N 2 0 345.531 2.333 10 0 EEAERP Cc1nc2cc(NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)ccc2[nH]1 ZINC000261614259 463801698 /nfs/dbraw/zinc/80/16/98/463801698.db2.gz FDPOCBDKIWCLMJ-WBHUJUFNSA-N 2 0 328.416 2.342 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000185338112 463804673 /nfs/dbraw/zinc/80/46/73/463804673.db2.gz JEPPFHAJKKKPFI-UHFFFAOYSA-N 2 0 332.492 2.376 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287136213 463811212 /nfs/dbraw/zinc/81/12/12/463811212.db2.gz MTUFHVQSXGUEBZ-PBHICJAKSA-N 2 0 338.471 2.458 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000261974314 463914684 /nfs/dbraw/zinc/91/46/84/463914684.db2.gz LSRXBJNQEGSATI-ROUUACIJSA-N 2 0 329.488 2.484 10 0 EEAERP C[C@@]1(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)CC[NH2+]C1 ZINC000261979052 463916176 /nfs/dbraw/zinc/91/61/76/463916176.db2.gz JBBYUQZYNDCFHE-QGZVFWFLSA-N 2 0 336.867 2.385 10 0 EEAERP C[C@H](C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C)N1CC[NH+](C)CC1 ZINC000284440803 464192891 /nfs/dbraw/zinc/19/28/91/464192891.db2.gz RWZYJOWHGSHKMY-QRQLOZEOSA-N 2 0 331.504 2.458 10 0 EEAERP Cc1nccnc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000188083185 464195274 /nfs/dbraw/zinc/19/52/74/464195274.db2.gz DLVYJXZGBIXPGU-KRWDZBQOSA-N 2 0 331.508 2.386 10 0 EEAERP COc1ccc([C@@H]2[C@@H](CNC(=O)C3CC[NH2+]CC3)CCC[N@@H+]2C)cc1 ZINC000237299879 464298952 /nfs/dbraw/zinc/29/89/52/464298952.db2.gz FDFHIIMQVFKPLH-IEBWSBKVSA-N 2 0 345.487 2.194 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000181064684 464440167 /nfs/dbraw/zinc/44/01/67/464440167.db2.gz FHTGPKCURNABEG-QGZVFWFLSA-N 2 0 344.503 2.387 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000175451185 464553014 /nfs/dbraw/zinc/55/30/14/464553014.db2.gz DIUFJJHNFHXUMX-NEWSRXKRSA-N 2 0 344.503 2.433 10 0 EEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246246923 464563011 /nfs/dbraw/zinc/56/30/11/464563011.db2.gz OVEKZQMJPZASTI-BRWVUGGUSA-N 2 0 348.491 2.444 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246542094 464598508 /nfs/dbraw/zinc/59/85/08/464598508.db2.gz WMGCTERNLCXWKU-KSZLIROESA-N 2 0 338.540 2.479 10 0 EEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000175945522 464664752 /nfs/dbraw/zinc/66/47/52/464664752.db2.gz MTGBECNTNWOCOR-MAUKXSAKSA-N 2 0 348.466 2.136 10 0 EEAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000268241695 464988453 /nfs/dbraw/zinc/98/84/53/464988453.db2.gz VCXCTSAQDFCFNF-KXBFYZLASA-N 2 0 327.472 2.495 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351800829 465368020 /nfs/dbraw/zinc/36/80/20/465368020.db2.gz AWAWULMFLPQUGA-INIZCTEOSA-N 2 0 338.540 2.480 10 0 EEAERP O=C(NCc1ccnc(N2CCCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000579930764 468436928 /nfs/dbraw/zinc/43/69/28/468436928.db2.gz GRHRKBUEUPSFEE-CALCHBBNSA-N 2 0 343.475 2.108 10 0 EEAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000366380341 465691354 /nfs/dbraw/zinc/69/13/54/465691354.db2.gz OCFLCSPAKBTHBC-WWDZGPRUSA-N 2 0 334.508 2.131 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092257 465758668 /nfs/dbraw/zinc/75/86/68/465758668.db2.gz BLVCSAAQRSTVSP-NRSFXHEJSA-N 2 0 330.476 2.214 10 0 EEAERP C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357239932 465884780 /nfs/dbraw/zinc/88/47/80/465884780.db2.gz UHFHEOLDNNKNSM-YSIASYRMSA-N 2 0 332.488 2.276 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000353466062 465905555 /nfs/dbraw/zinc/90/55/55/465905555.db2.gz YATHZOAOOVZKFJ-XDNAFOTISA-N 2 0 336.524 2.375 10 0 EEAERP CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349704983 466198785 /nfs/dbraw/zinc/19/87/85/466198785.db2.gz XGRVAIVFVMKLCL-IEBWSBKVSA-N 2 0 344.503 2.037 10 0 EEAERP C[C@@H]1CN(CCN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250113 466216286 /nfs/dbraw/zinc/21/62/86/466216286.db2.gz FJSSVFANSZVSGS-RBUKOAKNSA-N 2 0 331.504 2.304 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361887250 466380231 /nfs/dbraw/zinc/38/02/31/466380231.db2.gz DAUIGFUOVMBQGF-IYWMVGAKSA-N 2 0 337.552 2.445 10 0 EEAERP Cc1ccc(C2CCN(CC(=O)NCC(=O)OC(C)(C)C)CC2)cn1 ZINC000363651410 466534807 /nfs/dbraw/zinc/53/48/07/466534807.db2.gz KWTOJUQAMJTJSG-UHFFFAOYSA-N 2 0 347.459 2.027 10 0 EEAERP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000347347636 466583755 /nfs/dbraw/zinc/58/37/55/466583755.db2.gz JGVCTCQJSMXTOB-GOSISDBHSA-N 2 0 331.504 2.351 10 0 EEAERP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000423192971 466694686 /nfs/dbraw/zinc/69/46/86/466694686.db2.gz WCWQWDKBQCDBQC-INIZCTEOSA-N 2 0 327.476 2.033 10 0 EEAERP C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423251520 466704090 /nfs/dbraw/zinc/70/40/90/466704090.db2.gz WNEARMVVJDFYFP-GUYCJALGSA-N 2 0 333.457 2.409 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417221122 466806903 /nfs/dbraw/zinc/80/69/03/466806903.db2.gz NHRCFZPVDCDJKQ-YVSFHVDLSA-N 2 0 336.524 2.136 10 0 EEAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000375110713 466808243 /nfs/dbraw/zinc/80/82/43/466808243.db2.gz APZFOCUBIGOLFN-IAGOWNOFSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417253722 466816127 /nfs/dbraw/zinc/81/61/27/466816127.db2.gz LYEDGSULXNGDBN-NTDBWNAOSA-N 2 0 336.524 2.138 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC000417656945 466900456 /nfs/dbraw/zinc/90/04/56/466900456.db2.gz GXBCABNUAQTXJB-IBGZPJMESA-N 2 0 348.466 2.172 10 0 EEAERP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[NH+]2CCCC2)o1 ZINC000370640309 466950261 /nfs/dbraw/zinc/95/02/61/466950261.db2.gz PSHCZQDAPQVQKM-QGZVFWFLSA-N 2 0 346.475 2.215 10 0 EEAERP CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417835425 466951422 /nfs/dbraw/zinc/95/14/22/466951422.db2.gz WECPXLOAFZGJRD-JWTNVVGKSA-N 2 0 348.466 2.182 10 0 EEAERP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417930744 466990018 /nfs/dbraw/zinc/99/00/18/466990018.db2.gz BEYSKIWJKQOKMY-KZNAEPCWSA-N 2 0 330.476 2.215 10 0 EEAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418037485 467030923 /nfs/dbraw/zinc/03/09/23/467030923.db2.gz DGJJDFMFFPEOAJ-QRFRQXIXSA-N 2 0 344.503 2.420 10 0 EEAERP CCC[NH2+]CCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418042914 467032589 /nfs/dbraw/zinc/03/25/89/467032589.db2.gz MLRZJYMBUKJAAO-IBGZPJMESA-N 2 0 332.492 2.340 10 0 EEAERP C[C@@]1(CNC(=O)NCC[C@H]2CC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044861 467032851 /nfs/dbraw/zinc/03/28/51/467032851.db2.gz NMSYXZXUPNEOKG-XLIONFOSSA-N 2 0 344.503 2.340 10 0 EEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000418242882 467083183 /nfs/dbraw/zinc/08/31/83/467083183.db2.gz RAFRHVLVLMXYFA-HZPDHXFCSA-N 2 0 341.459 2.390 10 0 EEAERP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418431333 467109587 /nfs/dbraw/zinc/10/95/87/467109587.db2.gz WSKLKAUIMIAUQT-ROUUACIJSA-N 2 0 332.492 2.276 10 0 EEAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000418455942 467113376 /nfs/dbraw/zinc/11/33/76/467113376.db2.gz FBBQUPFJFWVVLG-HNNXBMFYSA-N 2 0 330.476 2.476 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418490890 467118365 /nfs/dbraw/zinc/11/83/65/467118365.db2.gz NOQWPIXAEBCMJS-DTWYCDNDSA-N 2 0 330.476 2.473 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000418595045 467133865 /nfs/dbraw/zinc/13/38/65/467133865.db2.gz NUWCYBASPWFZFK-OWSLCNJRSA-N 2 0 336.524 2.280 10 0 EEAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418689073 467146577 /nfs/dbraw/zinc/14/65/77/467146577.db2.gz UQGXWCPNZIDESO-MPGHIAIKSA-N 2 0 332.492 2.313 10 0 EEAERP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388539357 467396839 /nfs/dbraw/zinc/39/68/39/467396839.db2.gz TWEKVJIJRAVMDL-GBESFXJTSA-N 2 0 329.488 2.484 10 0 EEAERP Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c(OCC[NH+](C)C)c1 ZINC000528680314 467726736 /nfs/dbraw/zinc/72/67/36/467726736.db2.gz NMHRAOPGAXANMN-KRWDZBQOSA-N 2 0 346.475 2.342 10 0 EEAERP C[C@@H]1COCCN1CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000514936987 467964439 /nfs/dbraw/zinc/96/44/39/467964439.db2.gz BIGIARYYJZBGOJ-QUCCMNQESA-N 2 0 343.515 2.494 10 0 EEAERP c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2c(c1)OCCO2 ZINC000530243725 467967596 /nfs/dbraw/zinc/96/75/96/467967596.db2.gz XTKFGTLYMFSHRR-KRWDZBQOSA-N 2 0 332.444 2.048 10 0 EEAERP CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000533271177 468185574 /nfs/dbraw/zinc/18/55/74/468185574.db2.gz GHYZTVVPJIJOGM-UHFFFAOYSA-N 2 0 347.459 2.406 10 0 EEAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000569837287 468551388 /nfs/dbraw/zinc/55/13/88/468551388.db2.gz MKVYPEMGLWCVKA-QZTJIDSGSA-N 2 0 345.531 2.040 10 0 EEAERP Cc1c(C[NH+](C)CCCC[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000557023000 468607439 /nfs/dbraw/zinc/60/74/39/468607439.db2.gz LZBVYVGRQPXSTO-UHFFFAOYSA-N 2 0 332.496 2.114 10 0 EEAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000594495358 468609160 /nfs/dbraw/zinc/60/91/60/468609160.db2.gz RBIWEEFKFWFHEV-DNVCBOLYSA-N 2 0 345.487 2.076 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000594585200 468628174 /nfs/dbraw/zinc/62/81/74/468628174.db2.gz VCSYMTXLSCDVQB-JYJNAYRXSA-N 2 0 326.481 2.245 10 0 EEAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557667405 468645468 /nfs/dbraw/zinc/64/54/68/468645468.db2.gz LUVAOLCWWGKNFJ-ZIFCJYIRSA-N 2 0 329.488 2.355 10 0 EEAERP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734580 468668124 /nfs/dbraw/zinc/66/81/24/468668124.db2.gz BSFLTUSLSWMYPQ-GOSISDBHSA-N 2 0 346.471 2.450 10 0 EEAERP C[C@H](CSCCF)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000595018018 468743813 /nfs/dbraw/zinc/74/38/13/468743813.db2.gz ZPRMQSAOOVPOPL-MRXNPFEDSA-N 2 0 340.512 2.275 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1=O ZINC000571503631 468797192 /nfs/dbraw/zinc/79/71/92/468797192.db2.gz BUXUNWKINWKGCE-INIZCTEOSA-N 2 0 325.456 2.456 10 0 EEAERP O=C1[C@@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529972 468893488 /nfs/dbraw/zinc/89/34/88/468893488.db2.gz HMLZGPTYLTXVKN-HKUYNNGSSA-N 2 0 331.435 2.397 10 0 EEAERP CCC[NH+](CCC)CCCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615262524 469194907 /nfs/dbraw/zinc/19/49/07/469194907.db2.gz GLGVGZBQUOXVDQ-MSOLQXFVSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1nccn1CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000616124895 469374806 /nfs/dbraw/zinc/37/48/06/469374806.db2.gz VZENLGHHVGKOAJ-UHFFFAOYSA-N 2 0 333.480 2.099 10 0 EEAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000618546192 469384308 /nfs/dbraw/zinc/38/43/08/469384308.db2.gz CKZPJKSLMLHMLI-MSOLQXFVSA-N 2 0 330.476 2.217 10 0 EEAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000618561433 469389364 /nfs/dbraw/zinc/38/93/64/469389364.db2.gz ZVTDOZNLQGQANT-SFHVURJKSA-N 2 0 336.524 2.378 10 0 EEAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000625840801 469406891 /nfs/dbraw/zinc/40/68/91/469406891.db2.gz BBLCJTVACKLSAL-LSDHHAIUSA-N 2 0 334.464 2.279 10 0 EEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000603758190 469427663 /nfs/dbraw/zinc/42/76/63/469427663.db2.gz GXUOATLXUBIHML-FGTMMUONSA-N 2 0 336.524 2.377 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000618929193 469473848 /nfs/dbraw/zinc/47/38/48/469473848.db2.gz SHHZOGBEEICXTK-KBAYOESNSA-N 2 0 330.476 2.215 10 0 EEAERP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000629673718 469603485 /nfs/dbraw/zinc/60/34/85/469603485.db2.gz FHYKEFCDPNYMFC-ZDUSSCGKSA-N 2 0 337.414 2.131 10 0 EEAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000627242282 469854537 /nfs/dbraw/zinc/85/45/37/469854537.db2.gz UPQQGUUHZVEJBC-SOLBZPMBSA-N 2 0 336.524 2.423 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(Oc3ccncc3C)CC2)CC[N@@H+]1C ZINC000632775924 470269533 /nfs/dbraw/zinc/26/95/33/470269533.db2.gz KVVLWLAHMZGXDP-DLBZAZTESA-N 2 0 331.460 2.490 10 0 EEAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CSCN1 ZINC000638850190 470304596 /nfs/dbraw/zinc/30/45/96/470304596.db2.gz CBSYJTWEZTTYQT-SJORKVTESA-N 2 0 333.501 2.210 10 0 EEAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000638978350 470343420 /nfs/dbraw/zinc/34/34/20/470343420.db2.gz XYIRXBFPMFTQME-NVXWUHKLSA-N 2 0 330.476 2.334 10 0 EEAERP CC1(OCC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[NH2+]C1 ZINC000649304239 470538241 /nfs/dbraw/zinc/53/82/41/470538241.db2.gz SBMDEJRVEPEPCK-UHFFFAOYSA-N 2 0 331.460 2.032 10 0 EEAERP CCN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649306033 470538949 /nfs/dbraw/zinc/53/89/49/470538949.db2.gz VZIKFGCIRCBAMF-FUHWJXTLSA-N 2 0 345.487 2.049 10 0 EEAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000643530567 470715472 /nfs/dbraw/zinc/71/54/72/470715472.db2.gz PUCFAWMXDLHBHS-SJORKVTESA-N 2 0 341.421 2.360 10 0 EEAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncc(Br)cn1 ZINC000647798685 470987826 /nfs/dbraw/zinc/98/78/26/470987826.db2.gz VMNDBDLKGQMIBN-SRRSOLGSSA-N 2 0 325.254 2.278 10 0 EEAERP CC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000644654428 471005700 /nfs/dbraw/zinc/00/57/00/471005700.db2.gz MISWJZDLALMKDU-RBUKOAKNSA-N 2 0 332.488 2.276 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000647900707 471011367 /nfs/dbraw/zinc/01/13/67/471011367.db2.gz FLKAIWBODHWPHQ-GOEBONIOSA-N 2 0 345.443 2.208 10 0 EEAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654657978 471117322 /nfs/dbraw/zinc/11/73/22/471117322.db2.gz ZKCCWURMUQJUFK-HDICACEKSA-N 2 0 332.492 2.100 10 0 EEAERP Nc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000645228981 471183845 /nfs/dbraw/zinc/18/38/45/471183845.db2.gz CCAWIXRVKYJBAA-CALCHBBNSA-N 2 0 349.482 2.506 10 0 EEAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000657706780 471213137 /nfs/dbraw/zinc/21/31/37/471213137.db2.gz QZSNMHGRYFAFPS-QZTJIDSGSA-N 2 0 349.906 2.485 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000652140976 471243854 /nfs/dbraw/zinc/24/38/54/471243854.db2.gz BFPNXPXCXQZNDA-INIZCTEOSA-N 2 0 332.492 2.326 10 0 EEAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nc(-c4ccoc4)no3)C2)C1 ZINC000652348935 471275709 /nfs/dbraw/zinc/27/57/09/471275709.db2.gz WKMIRVHNKNECPL-CFVMTHIKSA-N 2 0 332.404 2.048 10 0 EEAERP CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000666282781 471338810 /nfs/dbraw/zinc/33/88/10/471338810.db2.gz KVJMYPCNALWRDL-OAHLLOKOSA-N 2 0 348.495 2.064 10 0 EEAERP CCOC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369080 471343802 /nfs/dbraw/zinc/34/38/02/471343802.db2.gz WNUIYKQTRWUOPL-RTBURBONSA-N 2 0 332.488 2.276 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)C1 ZINC000669121498 471387282 /nfs/dbraw/zinc/38/72/82/471387282.db2.gz HKKCCKVXPBJTFU-KZSQQDEKSA-N 2 0 330.476 2.233 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000663503963 471402334 /nfs/dbraw/zinc/40/23/34/471402334.db2.gz OAYFKULPWQZUDX-UHFFFAOYSA-N 2 0 340.471 2.315 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000669310750 471450807 /nfs/dbraw/zinc/45/08/07/471450807.db2.gz IQUCRDRJZMFDGV-SCTDSRPQSA-N 2 0 336.524 2.140 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CC1(F)F ZINC000666600775 471461443 /nfs/dbraw/zinc/46/14/43/471461443.db2.gz KZLSFQHQIFQLMO-HOCLYGCPSA-N 2 0 346.466 2.089 10 0 EEAERP CN(C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000666664403 471488231 /nfs/dbraw/zinc/48/82/31/471488231.db2.gz DFIPNLIEUAHDPM-QAPCUYQASA-N 2 0 334.508 2.272 10 0 EEAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000656153085 471609440 /nfs/dbraw/zinc/60/94/40/471609440.db2.gz NLGQOSASEOILQY-QEEHTWDDSA-N 2 0 332.488 2.371 10 0 EEAERP FC(F)O[C@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000670107945 471678080 /nfs/dbraw/zinc/67/80/80/471678080.db2.gz LAWBFBGWZPZHLU-NLMOASMRSA-N 2 0 326.334 2.170 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000661404866 471745828 /nfs/dbraw/zinc/74/58/28/471745828.db2.gz AOFZMZIXGYWZSU-QZTJIDSGSA-N 2 0 344.503 2.433 10 0 EEAERP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664630174 471816294 /nfs/dbraw/zinc/81/62/94/471816294.db2.gz QPCAELBVLBYWEF-JFIYKMOQSA-N 2 0 336.524 2.375 10 0 EEAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667833698 471921642 /nfs/dbraw/zinc/92/16/42/471921642.db2.gz YKHYBUGZRNFKEO-AWEZNQCLSA-N 2 0 334.439 2.467 10 0 EEAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000665259843 471983452 /nfs/dbraw/zinc/98/34/52/471983452.db2.gz SGAOPPJKILRKTA-DFEOGRTESA-N 2 0 347.478 2.496 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000665285329 471990193 /nfs/dbraw/zinc/99/01/93/471990193.db2.gz KEDHFEQZPGCIEO-LJQANCHMSA-N 2 0 345.487 2.263 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000665289074 471991318 /nfs/dbraw/zinc/99/13/18/471991318.db2.gz FSTDADLUKJFFKD-CYBMUJFWSA-N 2 0 338.883 2.376 10 0 EEAERP C[NH2+]CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662714402 472219774 /nfs/dbraw/zinc/21/97/74/472219774.db2.gz HULLTPJSDBJUHL-GOSISDBHSA-N 2 0 329.488 2.405 10 0 EEAERP C[NH2+]CCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662714405 472220504 /nfs/dbraw/zinc/22/05/04/472220504.db2.gz HULLTPJSDBJUHL-SFHVURJKSA-N 2 0 329.488 2.405 10 0 EEAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000662883495 472290152 /nfs/dbraw/zinc/29/01/52/472290152.db2.gz KNVQXPFSKKBZQU-RBUKOAKNSA-N 2 0 337.423 2.173 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188953957 485514901 /nfs/dbraw/zinc/51/49/01/485514901.db2.gz JHRNKJZPTAIGMQ-BHYGNILZSA-N 2 0 325.472 2.190 10 0 EEAERP C[C@@H](CCNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000673771262 485525274 /nfs/dbraw/zinc/52/52/74/485525274.db2.gz GMIFHFDOGPEJFI-FUHWJXTLSA-N 2 0 332.492 2.290 10 0 EEAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142286 485571948 /nfs/dbraw/zinc/57/19/48/485571948.db2.gz VRKOGPYXOFYGMJ-JXFKEZNVSA-N 3 0 331.504 2.073 10 0 EEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000310278490 485632427 /nfs/dbraw/zinc/63/24/27/485632427.db2.gz KFELOPIEVXHZBY-XJKSGUPXSA-N 2 0 343.393 2.165 10 0 EEAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000382102293 485666256 /nfs/dbraw/zinc/66/62/56/485666256.db2.gz BUGICRSEVSBSSQ-CRAIPNDOSA-N 2 0 341.455 2.137 10 0 EEAERP C[NH+]1CCC2(CCCN2C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000678187868 486588756 /nfs/dbraw/zinc/58/87/56/486588756.db2.gz ITEZDPOEEQIKHQ-UHFFFAOYSA-N 2 0 340.431 2.359 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(-c3ccco3)on2)CC1 ZINC000171631304 534077732 /nfs/dbraw/zinc/07/77/32/534077732.db2.gz UNUULAKEHYLHFF-AWEZNQCLSA-N 2 0 333.432 2.459 10 0 EEAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422841915 537062428 /nfs/dbraw/zinc/06/24/28/537062428.db2.gz XFBDJBAURMHPGE-HYVNUMGLSA-N 2 0 333.476 2.006 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000758273468 577620680 /nfs/dbraw/zinc/62/06/80/577620680.db2.gz NLYFUBGGTFNYJR-SQNIBIBYSA-N 2 0 346.544 2.380 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383917561 578266300 /nfs/dbraw/zinc/26/63/00/578266300.db2.gz QGGUSTDAUGARST-YSIASYRMSA-N 2 0 331.504 2.207 10 0 EEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914338195 683514116 /nfs/dbraw/zinc/51/41/16/683514116.db2.gz UDCUKFGMXQKQFL-SJLPKXTDSA-N 2 0 347.507 2.106 10 0 EEAERP CC1(C)[C@@H]([NH2+]CCn2cc(Br)cn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670623 684805607 /nfs/dbraw/zinc/80/56/07/684805607.db2.gz MISDKEZTDQZMFV-AGIUHOORSA-N 2 0 327.270 2.012 10 0 EEAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCN2CCC([NH+](C)C)CC2)n(C)n1 ZINC000925217070 687583060 /nfs/dbraw/zinc/58/30/60/687583060.db2.gz WLDYPCYMCKTLIK-PXNSSMCTSA-N 2 0 347.551 2.055 10 0 EEAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924626986 692900694 /nfs/dbraw/zinc/90/06/94/692900694.db2.gz CDJNMVCAJJOGAV-HKUYNNGSSA-N 2 0 330.520 2.408 10 0 EEAERP [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323438839 692901888 /nfs/dbraw/zinc/90/18/88/692901888.db2.gz CFQCPKHQUJALPC-RBUKOAKNSA-N 2 0 329.488 2.486 10 0 EEAERP Cc1ccc(CCC[NH2+][C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001266442537 1176540526 /nfs/dbraw/zinc/54/05/26/1176540526.db2.gz YUOKCPPIIQZGIA-PMACEKPBSA-N 2 0 343.515 2.364 10 0 EEAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001649451781 1176747603 /nfs/dbraw/zinc/74/76/03/1176747603.db2.gz VMKSJGOXUABRTH-MRXNPFEDSA-N 2 0 327.513 2.112 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001266550105 1176816236 /nfs/dbraw/zinc/81/62/36/1176816236.db2.gz VMMNMOGSNOBDOF-RDJZCZTQSA-N 2 0 335.517 2.213 10 0 EEAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001772526450 1176884744 /nfs/dbraw/zinc/88/47/44/1176884744.db2.gz PFVMIBVZZWAMEU-MSOLQXFVSA-N 2 0 325.460 2.267 10 0 EEAERP Cc1csc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)n1 ZINC001266741106 1177332361 /nfs/dbraw/zinc/33/23/61/1177332361.db2.gz KDYSEDIPZKQZGE-LSDHHAIUSA-N 2 0 336.505 2.016 10 0 EEAERP O=C(N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1)C12CCC[NH+]1CCC2 ZINC001266796450 1177444171 /nfs/dbraw/zinc/44/41/71/1177444171.db2.gz ZAXPSSODLDOLTL-UVCVVPOWSA-N 2 0 325.884 2.196 10 0 EEAERP CC(C)OCCC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001266909170 1177779278 /nfs/dbraw/zinc/77/92/78/1177779278.db2.gz GRFHRJFUHVAONY-UHFFFAOYSA-N 2 0 339.524 2.303 10 0 EEAERP CO[C@H](C[NH2+]CCN(C)C(=O)c1cccc2nccn21)C1CCCC1 ZINC001691391032 1177991776 /nfs/dbraw/zinc/99/17/76/1177991776.db2.gz CEUOIOVXAJKJSF-QGZVFWFLSA-N 2 0 344.459 2.201 10 0 EEAERP CN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691423881 1178033794 /nfs/dbraw/zinc/03/37/94/1178033794.db2.gz RHKDOMZFJKNNAM-UHFFFAOYSA-N 2 0 339.430 2.387 10 0 EEAERP COc1cc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)ccc1C ZINC001691423565 1178033840 /nfs/dbraw/zinc/03/38/40/1178033840.db2.gz FRZPTUJZTWDNFD-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001480914326 1178114372 /nfs/dbraw/zinc/11/43/72/1178114372.db2.gz WUJGAOQVBYZPGR-HNNXBMFYSA-N 2 0 328.460 2.058 10 0 EEAERP CC(C)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001267098081 1178234833 /nfs/dbraw/zinc/23/48/33/1178234833.db2.gz DIEPPCRVIRJWMK-LJQANCHMSA-N 2 0 331.504 2.433 10 0 EEAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCc1ccsc1 ZINC001267151854 1178332422 /nfs/dbraw/zinc/33/24/22/1178332422.db2.gz DOISMXPVQLRIMK-HNNXBMFYSA-N 2 0 335.517 2.261 10 0 EEAERP Cc1ccncc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267171870 1178398631 /nfs/dbraw/zinc/39/86/31/1178398631.db2.gz PUTSETYVOPILQE-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP Cc1nc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)oc1C ZINC001267181821 1178443202 /nfs/dbraw/zinc/44/32/02/1178443202.db2.gz OGDSMRITNYVBQP-SJORKVTESA-N 2 0 348.491 2.104 10 0 EEAERP C[N@H+](CCCCc1ccccc1)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267226496 1178543371 /nfs/dbraw/zinc/54/33/71/1178543371.db2.gz VURNYWWKEORSIY-UHFFFAOYSA-N 2 0 329.488 2.153 10 0 EEAERP CN(CC[NH2+]CCc1c(F)cccc1F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391363 1178957590 /nfs/dbraw/zinc/95/75/90/1178957590.db2.gz IEJBOXWXKPGRCU-QGZVFWFLSA-N 2 0 339.430 2.040 10 0 EEAERP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001267731665 1180324253 /nfs/dbraw/zinc/32/42/53/1180324253.db2.gz MVQYOMSOEHVLIN-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001481236683 1180383417 /nfs/dbraw/zinc/38/34/17/1180383417.db2.gz MYDQWPGLSGNKHE-UHFFFAOYSA-N 2 0 346.500 2.375 10 0 EEAERP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001267775943 1180500251 /nfs/dbraw/zinc/50/02/51/1180500251.db2.gz AMABTRYTRTUIJO-SFHVURJKSA-N 2 0 347.503 2.460 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC001267893091 1180704917 /nfs/dbraw/zinc/70/49/17/1180704917.db2.gz OCVULILQDQUIED-OAHLLOKOSA-N 2 0 348.491 2.222 10 0 EEAERP Cc1cc(C[NH+]2CC[C@@H](CCNC(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001481435156 1181332978 /nfs/dbraw/zinc/33/29/78/1181332978.db2.gz KOLJGBGRIMUYHX-IAGOWNOFSA-N 2 0 348.491 2.186 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001481527190 1181649160 /nfs/dbraw/zinc/64/91/60/1181649160.db2.gz NLVRYHKPACEASF-GOSISDBHSA-N 2 0 347.503 2.021 10 0 EEAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001268376485 1182395541 /nfs/dbraw/zinc/39/55/41/1182395541.db2.gz XVPRAEJATORPIQ-RDTXWAMCSA-N 2 0 330.476 2.493 10 0 EEAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268457917 1182720846 /nfs/dbraw/zinc/72/08/46/1182720846.db2.gz BTMDVEQYHJLJTB-SJLPKXTDSA-N 2 0 337.508 2.011 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]C/C(Cl)=C/Cl ZINC001481852024 1182803879 /nfs/dbraw/zinc/80/38/79/1182803879.db2.gz LQHZMKWCESOAPN-BVAVQILBSA-N 2 0 345.274 2.327 10 0 EEAERP C[C@@](C[NH2+]CCCF)(NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001481936203 1182989018 /nfs/dbraw/zinc/98/90/18/1182989018.db2.gz NJAHPRAPTGXWHA-SFHVURJKSA-N 2 0 345.422 2.115 10 0 EEAERP Cc1ccncc1C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001482008563 1183121784 /nfs/dbraw/zinc/12/17/84/1183121784.db2.gz YKDHSYBNOONKGX-UHFFFAOYSA-N 2 0 344.503 2.204 10 0 EEAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC001268538705 1183199409 /nfs/dbraw/zinc/19/94/09/1183199409.db2.gz MGIZIYNIDXRSJP-LAPPRRJPSA-N 2 0 345.462 2.491 10 0 EEAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001482055954 1183256925 /nfs/dbraw/zinc/25/69/25/1183256925.db2.gz QTBCTZITGWZJRC-RTBURBONSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCc1ccccc1 ZINC001482101371 1183333846 /nfs/dbraw/zinc/33/38/46/1183333846.db2.gz MJDMRPQFZCXCOU-MJGOQNOKSA-N 2 0 331.504 2.444 10 0 EEAERP CCc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001482101657 1183334602 /nfs/dbraw/zinc/33/46/02/1183334602.db2.gz ONOWWZGFRFZFOF-UZLBHIALSA-N 2 0 343.515 2.433 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001268614827 1183531207 /nfs/dbraw/zinc/53/12/07/1183531207.db2.gz ZKSXAVVSOOBJLR-HSWBROFVSA-N 2 0 337.414 2.069 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001268625740 1183549012 /nfs/dbraw/zinc/54/90/12/1183549012.db2.gz SCXVXCNHEXAIRZ-DJYNDVHFSA-N 2 0 329.435 2.170 10 0 EEAERP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268658443 1183586918 /nfs/dbraw/zinc/58/69/18/1183586918.db2.gz VUKSDVRUZZHUKM-KFWWJZLASA-N 2 0 331.451 2.391 10 0 EEAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F)[NH+](C)C ZINC001268838442 1183755824 /nfs/dbraw/zinc/75/58/24/1183755824.db2.gz AMMKGQGCHZIPLM-QGZVFWFLSA-N 2 0 341.446 2.489 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001269786760 1184619700 /nfs/dbraw/zinc/61/97/00/1184619700.db2.gz XSMYICOWEVLHHZ-MRXNPFEDSA-N 2 0 339.499 2.296 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001270112862 1184856810 /nfs/dbraw/zinc/85/68/10/1184856810.db2.gz KVFVCLJDPWKTCE-STQMWFEESA-N 2 0 334.291 2.370 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCOc1ccccc1 ZINC001482285095 1185066815 /nfs/dbraw/zinc/06/68/15/1185066815.db2.gz UPOLKSHTSRQDPI-MJGOQNOKSA-N 2 0 347.503 2.375 10 0 EEAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC001271424491 1186209799 /nfs/dbraw/zinc/20/97/99/1186209799.db2.gz DVZBZZPFLJGWQV-PKOBYXMFSA-N 2 0 347.503 2.234 10 0 EEAERP Cc1ccncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271565243 1186315624 /nfs/dbraw/zinc/31/56/24/1186315624.db2.gz BQVWTLIAVVJYJP-RBUKOAKNSA-N 2 0 344.503 2.345 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001271601180 1186332284 /nfs/dbraw/zinc/33/22/84/1186332284.db2.gz WMZOGGNAMMNAGP-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CCc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001271609608 1186337148 /nfs/dbraw/zinc/33/71/48/1186337148.db2.gz QOSRKSOUKOEQAC-JKSUJKDBSA-N 2 0 348.491 2.050 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C)s1 ZINC001482569969 1186904830 /nfs/dbraw/zinc/90/48/30/1186904830.db2.gz ACQAAIMPPFGSOW-OAHLLOKOSA-N 2 0 326.510 2.022 10 0 EEAERP CN(CC[N@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001482586014 1187000430 /nfs/dbraw/zinc/00/04/30/1187000430.db2.gz DKZAZXPVYMXWSA-GJZGRUSLSA-N 2 0 331.451 2.296 10 0 EEAERP CN(CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccc(F)cn1 ZINC001482606560 1187360950 /nfs/dbraw/zinc/36/09/50/1187360950.db2.gz RZDGHNSDPUMAGA-MSOLQXFVSA-N 2 0 348.466 2.128 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)c1sccc1C[NH+](C)C ZINC001482838001 1187757838 /nfs/dbraw/zinc/75/78/38/1187757838.db2.gz NINHJGMCPOKLSR-LBPRGKRZSA-N 2 0 336.461 2.096 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)c(C)o1 ZINC001482901790 1187814094 /nfs/dbraw/zinc/81/40/94/1187814094.db2.gz NDXZJLXDERLFEI-BBRMVZONSA-N 2 0 336.480 2.150 10 0 EEAERP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482962829 1187896788 /nfs/dbraw/zinc/89/67/88/1187896788.db2.gz PLMGFIILMNHCEH-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001483008857 1187991356 /nfs/dbraw/zinc/99/13/56/1187991356.db2.gz ORARHFCPAWOXOM-OBNUAKFSSA-N 2 0 345.487 2.188 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691548883 1188250015 /nfs/dbraw/zinc/25/00/15/1188250015.db2.gz BCANTLCKHVZUOM-UHFFFAOYSA-N 2 0 347.478 2.496 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccncc1Cl ZINC001691622981 1188322980 /nfs/dbraw/zinc/32/29/80/1188322980.db2.gz GTGRZNCFRSUNIQ-MRXNPFEDSA-N 2 0 338.883 2.157 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCOc1ccccc1C ZINC001691622959 1188323001 /nfs/dbraw/zinc/32/30/01/1188323001.db2.gz FZZZZESNEDKNGH-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(C)s1 ZINC001272822906 1193562099 /nfs/dbraw/zinc/56/20/99/1193562099.db2.gz ISIBHCUKVJUOGJ-BBRMVZONSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1cccc(CCC[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001483092235 1188459208 /nfs/dbraw/zinc/45/92/08/1188459208.db2.gz DTIOSYPMBBZAKC-GNAXCBTBSA-N 2 0 329.488 2.141 10 0 EEAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001483143380 1188744746 /nfs/dbraw/zinc/74/47/46/1188744746.db2.gz AZJIMGZIVYZLQN-OCKNTNFFSA-N 2 0 327.472 2.423 10 0 EEAERP Cc1ncc2n1CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)C2 ZINC001483167098 1189003658 /nfs/dbraw/zinc/00/36/58/1189003658.db2.gz TXAFLODENKUIKH-RHSMWYFYSA-N 2 0 330.476 2.349 10 0 EEAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001483171834 1189010776 /nfs/dbraw/zinc/01/07/76/1189010776.db2.gz ALMRCUXHJARCDZ-NZSAHSFTSA-N 2 0 347.503 2.077 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001483185212 1189052441 /nfs/dbraw/zinc/05/24/41/1189052441.db2.gz BENNXVUERNGQCT-PXAZEXFGSA-N 2 0 339.430 2.388 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc(C)sc1C ZINC001483198213 1189082273 /nfs/dbraw/zinc/08/22/73/1189082273.db2.gz ZEJLYVKDBCLBCM-MLGOLLRUSA-N 2 0 338.521 2.229 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001483197377 1189082923 /nfs/dbraw/zinc/08/29/23/1189082923.db2.gz HNUPXHGDZNDUHR-QAPCUYQASA-N 2 0 332.492 2.167 10 0 EEAERP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001409351808 1189562159 /nfs/dbraw/zinc/56/21/59/1189562159.db2.gz DGEWUTLNULORAB-UONOGXRCSA-N 2 0 336.505 2.063 10 0 EEAERP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001485881528 1193628127 /nfs/dbraw/zinc/62/81/27/1193628127.db2.gz HUNAIHFZOQLKQV-KGLIPLIRSA-N 2 0 331.451 2.343 10 0 EEAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2ccnc2)s1 ZINC001409403724 1189631025 /nfs/dbraw/zinc/63/10/25/1189631025.db2.gz YLLFWVUWGAQGDW-RYUDHWBXSA-N 2 0 335.477 2.030 10 0 EEAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001409417401 1189649212 /nfs/dbraw/zinc/64/92/12/1189649212.db2.gz ILOWXCQSIJEDNV-IAGOWNOFSA-N 2 0 329.488 2.382 10 0 EEAERP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001485960698 1193659866 /nfs/dbraw/zinc/65/98/66/1193659866.db2.gz KLHXDWGHNTWYHG-MRXNPFEDSA-N 2 0 334.508 2.482 10 0 EEAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001409680828 1190180824 /nfs/dbraw/zinc/18/08/24/1190180824.db2.gz FEPYRUIZHKVXMM-SJORKVTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+][C@H](CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)o1 ZINC001409771568 1190266161 /nfs/dbraw/zinc/26/61/61/1190266161.db2.gz MVEPMCUNKAJHKA-SJORKVTESA-N 2 0 336.480 2.040 10 0 EEAERP Cc1cc(C)cc(OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001483319651 1190346212 /nfs/dbraw/zinc/34/62/12/1190346212.db2.gz LHRNTWADIIMFHU-MJGOQNOKSA-N 2 0 347.503 2.213 10 0 EEAERP CO[C@H](C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001483474407 1190496164 /nfs/dbraw/zinc/49/61/64/1190496164.db2.gz KCCIDPAADYRNDM-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)C1CC[NH+](C)CC1 ZINC001483489846 1190509643 /nfs/dbraw/zinc/50/96/43/1190509643.db2.gz OMMXKGGOXOPMMK-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)CC1 ZINC001483499875 1190515274 /nfs/dbraw/zinc/51/52/74/1190515274.db2.gz ZSWSHFBFWURBFW-UHFFFAOYSA-N 2 0 336.307 2.475 10 0 EEAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001483512417 1190525383 /nfs/dbraw/zinc/52/53/83/1190525383.db2.gz YUQFMCCZRZKULN-GASCZTMLSA-N 2 0 336.455 2.032 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC001483586948 1190573141 /nfs/dbraw/zinc/57/31/41/1190573141.db2.gz XHMKWOAYFJDLEC-CYBMUJFWSA-N 2 0 329.897 2.338 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483587253 1190573782 /nfs/dbraw/zinc/57/37/82/1190573782.db2.gz BOSANRBBBIOMCU-RDTXWAMCSA-N 2 0 333.451 2.152 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001409839749 1190671952 /nfs/dbraw/zinc/67/19/52/1190671952.db2.gz SXTYZSLPLYDWJO-MSOLQXFVSA-N 2 0 332.492 2.331 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccc1F)CC2 ZINC001486143350 1193695720 /nfs/dbraw/zinc/69/57/20/1193695720.db2.gz AHORIKYBCKSCNN-HKUYNNGSSA-N 2 0 333.451 2.391 10 0 EEAERP Cc1nccn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483702548 1190776760 /nfs/dbraw/zinc/77/67/60/1190776760.db2.gz PZJLGSUZQQGVFU-KRWDZBQOSA-N 2 0 337.427 2.064 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845055 1191079886 /nfs/dbraw/zinc/07/98/86/1191079886.db2.gz FTFINJYCZZOARI-WBVHZDCISA-N 2 0 325.472 2.001 10 0 EEAERP Cc1noc(C)c1C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001483848393 1191084240 /nfs/dbraw/zinc/08/42/40/1191084240.db2.gz RZMDHIBWFYHLKY-IBGZPJMESA-N 2 0 348.491 2.056 10 0 EEAERP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484101367 1191210898 /nfs/dbraw/zinc/21/08/98/1191210898.db2.gz KJTPWIJPKXTWEZ-IBGZPJMESA-N 2 0 333.520 2.491 10 0 EEAERP COCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484112972 1191213834 /nfs/dbraw/zinc/21/38/34/1191213834.db2.gz BYIOUWTXWZPCIX-IEBWSBKVSA-N 2 0 339.524 2.116 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2conc2C)CC1 ZINC001484146207 1191235170 /nfs/dbraw/zinc/23/51/70/1191235170.db2.gz XCYPXUYZZDLONL-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001484812031 1191533199 /nfs/dbraw/zinc/53/31/99/1191533199.db2.gz INGFEUOFYQRLSW-GOSISDBHSA-N 2 0 333.520 2.489 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001484928038 1191574003 /nfs/dbraw/zinc/57/40/03/1191574003.db2.gz DITPLCWFXFHQEE-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nc(CN2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988173 1191604383 /nfs/dbraw/zinc/60/43/83/1191604383.db2.gz QWKLEBWSKOLWJM-HIFRSBDPSA-N 2 0 338.521 2.261 10 0 EEAERP CC[C@@H](C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001485258810 1191714061 /nfs/dbraw/zinc/71/40/61/1191714061.db2.gz UNCVAZLLSPFWCL-ULQDDVLXSA-N 2 0 341.540 2.216 10 0 EEAERP CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC001486253587 1193781152 /nfs/dbraw/zinc/78/11/52/1193781152.db2.gz MYYCWQGVYQEJCW-ZIAGYGMSSA-N 2 0 347.425 2.251 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001486510021 1194027380 /nfs/dbraw/zinc/02/73/80/1194027380.db2.gz ZMONJALENSJZKL-GOSISDBHSA-N 2 0 333.451 2.414 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001410155932 1197574026 /nfs/dbraw/zinc/57/40/26/1197574026.db2.gz NSEBGYDMNUTJAT-OWYHZJEWSA-N 2 0 329.488 2.383 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1F ZINC001410387420 1197785044 /nfs/dbraw/zinc/78/50/44/1197785044.db2.gz FXXNVUWCJOZFKL-SUMWQHHRSA-N 2 0 339.430 2.386 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001410430897 1197876281 /nfs/dbraw/zinc/87/62/81/1197876281.db2.gz DZCIUWZGQXBYJU-GDBMZVCRSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872028761 1198030293 /nfs/dbraw/zinc/03/02/93/1198030293.db2.gz RGNZSTTWCMIMTI-MSOLQXFVSA-N 2 0 332.492 2.128 10 0 EEAERP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000872032473 1198032248 /nfs/dbraw/zinc/03/22/48/1198032248.db2.gz UULWYSWXECNZTF-OALUTQOASA-N 2 0 347.503 2.273 10 0 EEAERP COc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001410486264 1198039253 /nfs/dbraw/zinc/03/92/53/1198039253.db2.gz HWHUAWRTYBDBLT-SJLPKXTDSA-N 2 0 347.503 2.016 10 0 EEAERP COC(=O)c1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145878 1198053004 /nfs/dbraw/zinc/05/30/04/1198053004.db2.gz XXVNLYJETGLQRT-PKOBYXMFSA-N 2 0 346.471 2.500 10 0 EEAERP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255049 1198113516 /nfs/dbraw/zinc/11/35/16/1198113516.db2.gz IWLUUWVZJHVLJN-OIISXLGYSA-N 2 0 349.862 2.324 10 0 EEAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3cccnc32)CN1C(=O)CC[NH+](C)C ZINC001410872694 1198525254 /nfs/dbraw/zinc/52/52/54/1198525254.db2.gz SKDSFHGCYHPFPM-CRAIPNDOSA-N 2 0 340.471 2.266 10 0 EEAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CC[C@H]1CCCO1)CC2)C1CCC1 ZINC001410886004 1198537178 /nfs/dbraw/zinc/53/71/78/1198537178.db2.gz CHRLZNAHWUNFRK-HBFSDRIKSA-N 2 0 349.519 2.153 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001410946835 1198612597 /nfs/dbraw/zinc/61/25/97/1198612597.db2.gz BZWHNUDQIIEBRP-AEFFLSMTSA-N 2 0 332.492 2.105 10 0 EEAERP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001411075263 1198757637 /nfs/dbraw/zinc/75/76/37/1198757637.db2.gz DEPICSHYKBTYGL-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]Cc2cncs2)C(C)(C)C)C1 ZINC001411211954 1198920524 /nfs/dbraw/zinc/92/05/24/1198920524.db2.gz AFVBBVDJSFTFGF-ZFWWWQNUSA-N 2 0 338.521 2.105 10 0 EEAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001411252540 1198976587 /nfs/dbraw/zinc/97/65/87/1198976587.db2.gz NNBJZSSRKJLZLU-XZQUUAFQSA-N 2 0 327.472 2.231 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000811459794 1200071362 /nfs/dbraw/zinc/07/13/62/1200071362.db2.gz OHPMYQUDVYGPOY-QAPCUYQASA-N 2 0 325.472 2.332 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCC[C@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000870017954 1200409847 /nfs/dbraw/zinc/40/98/47/1200409847.db2.gz UOTYQSBXEMBYLG-YRXWBPOGSA-N 2 0 335.536 2.401 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@H]1C[NH+](C)C ZINC000870021585 1200411449 /nfs/dbraw/zinc/41/14/49/1200411449.db2.gz PRHZIWVARJTLTD-HZPDHXFCSA-N 2 0 347.478 2.055 10 0 EEAERP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000870881026 1200929018 /nfs/dbraw/zinc/92/90/18/1200929018.db2.gz YKMAMTKNRAYGNJ-IINYFYTJSA-N 2 0 340.265 2.048 10 0 EEAERP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870909147 1200944750 /nfs/dbraw/zinc/94/47/50/1200944750.db2.gz AOXYMMPWIKEZOD-CQSZACIVSA-N 2 0 342.281 2.249 10 0 EEAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870937323 1200967215 /nfs/dbraw/zinc/96/72/15/1200967215.db2.gz ZCWHVALQLVNUBX-ZKYQVNSYSA-N 2 0 340.265 2.035 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000866708465 1201586478 /nfs/dbraw/zinc/58/64/78/1201586478.db2.gz FPMCLSRYZUNQQE-ZACQAIPSSA-N 2 0 349.862 2.140 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001274035808 1204339770 /nfs/dbraw/zinc/33/97/70/1204339770.db2.gz LSQFXDCMIJIUCY-TZGBVXRMSA-N 2 0 343.462 2.414 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)C1 ZINC001274299390 1204988713 /nfs/dbraw/zinc/98/87/13/1204988713.db2.gz WMHBVQRWPCSYPE-XGACYXMMSA-N 2 0 335.414 2.323 10 0 EEAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368588 1205011783 /nfs/dbraw/zinc/01/17/83/1205011783.db2.gz MXALEWXFNZCMNI-JGPFYOFESA-N 2 0 333.451 2.491 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001274375157 1205013573 /nfs/dbraw/zinc/01/35/73/1205013573.db2.gz JKGFIOABVVWIJJ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001275553712 1205408549 /nfs/dbraw/zinc/40/85/49/1205408549.db2.gz NWXAXRJQMPIINB-STQMWFEESA-N 2 0 326.872 2.060 10 0 EEAERP CCOCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001275592963 1205435927 /nfs/dbraw/zinc/43/59/27/1205435927.db2.gz VUOCLHDGEZJMGR-AWEZNQCLSA-N 2 0 332.448 2.119 10 0 EEAERP CC1(C)[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925495473 1205543034 /nfs/dbraw/zinc/54/30/34/1205543034.db2.gz YPGJXFKSOCUVBK-IXDOHACOSA-N 2 0 336.501 2.217 10 0 EEAERP CC(C)OCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001276218584 1205842827 /nfs/dbraw/zinc/84/28/27/1205842827.db2.gz GMXRJMHLTAPMJZ-QGZVFWFLSA-N 2 0 339.524 2.304 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cn2)CC1 ZINC000924626572 1206006644 /nfs/dbraw/zinc/00/66/44/1206006644.db2.gz KTAISWFPCLCRSJ-UYAOXDASSA-N 2 0 344.503 2.128 10 0 EEAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924875168 1206045235 /nfs/dbraw/zinc/04/52/35/1206045235.db2.gz AZFXLRYRFJAGIE-PMACEKPBSA-N 2 0 346.519 2.244 10 0 EEAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)n(C)n1 ZINC000924967546 1206056414 /nfs/dbraw/zinc/05/64/14/1206056414.db2.gz YLPYDZJYJXMTOX-UYAOXDASSA-N 2 0 347.551 2.057 10 0 EEAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925321576 1206096536 /nfs/dbraw/zinc/09/65/36/1206096536.db2.gz NDTBZPKOUZJSEZ-YJBOKZPZSA-N 2 0 332.492 2.372 10 0 EEAERP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C12CCC2 ZINC000925591781 1206133273 /nfs/dbraw/zinc/13/32/73/1206133273.db2.gz AXLPSVWDZKWTFO-RTBURBONSA-N 2 0 341.499 2.470 10 0 EEAERP CC1(C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620655 1206136383 /nfs/dbraw/zinc/13/63/83/1206136383.db2.gz WSDDKPJBBOZLRB-HVMFNXBNSA-N 2 0 335.536 2.121 10 0 EEAERP CCC1(C[NH2+][C@@H]2CNCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000925626284 1206137191 /nfs/dbraw/zinc/13/71/91/1206137191.db2.gz PIFOUXANXBQJTR-LJQANCHMSA-N 2 0 331.504 2.257 10 0 EEAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000925735629 1206147847 /nfs/dbraw/zinc/14/78/47/1206147847.db2.gz HRSWWPTZLDGGOK-PBHICJAKSA-N 2 0 333.476 2.475 10 0 EEAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800487 1206155039 /nfs/dbraw/zinc/15/50/39/1206155039.db2.gz SBBJZLIHCAULBA-IJEWVQPXSA-N 2 0 339.505 2.344 10 0 EEAERP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842481 1206159275 /nfs/dbraw/zinc/15/92/75/1206159275.db2.gz JWSHOTJPDOSNLU-IJXRJRJASA-N 2 0 328.504 2.414 10 0 EEAERP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)(C)C ZINC000925848495 1206160038 /nfs/dbraw/zinc/16/00/38/1206160038.db2.gz BMHVTXZKOIRZEL-HIFRSBDPSA-N 2 0 348.491 2.282 10 0 EEAERP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851419 1206160604 /nfs/dbraw/zinc/16/06/04/1206160604.db2.gz FABMEOWMFXDSTA-PBHICJAKSA-N 2 0 332.444 2.421 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000926373015 1206216482 /nfs/dbraw/zinc/21/64/82/1206216482.db2.gz UWAHCGXALIQMOW-HQPYMTOTSA-N 2 0 341.499 2.150 10 0 EEAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000926493103 1206224066 /nfs/dbraw/zinc/22/40/66/1206224066.db2.gz SWDQCWXRUSFJQV-XUVXKRRUSA-N 2 0 334.504 2.325 10 0 EEAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000928096230 1206341547 /nfs/dbraw/zinc/34/15/47/1206341547.db2.gz QYRIZKKRXAJBKC-DLBZAZTESA-N 2 0 333.501 2.058 10 0 EEAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOC1CCSCC1 ZINC000930059570 1206532299 /nfs/dbraw/zinc/53/22/99/1206532299.db2.gz FAYILHMHSNRVGK-DJIMGWMZSA-N 2 0 328.522 2.082 10 0 EEAERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)N3CCCc4ccccc43)C[C@]2(C)C1 ZINC000933731527 1207828841 /nfs/dbraw/zinc/82/88/41/1207828841.db2.gz BKXHGFBUMKEHCE-XLIONFOSSA-N 2 0 327.472 2.239 10 0 EEAERP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000090615829 1212922529 /nfs/dbraw/zinc/92/25/29/1212922529.db2.gz KYKAAQYXXVNNDW-UHFFFAOYSA-N 2 0 346.450 2.405 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCCCCF)C1 ZINC001276326737 1215732518 /nfs/dbraw/zinc/73/25/18/1215732518.db2.gz JSPXFLUKYLTRKI-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1COc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000902740632 1238366456 /nfs/dbraw/zinc/36/64/56/1238366456.db2.gz YLMMWFVONVXAOY-HOJAQTOUSA-N 2 0 345.531 2.488 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827067629 1249738028 /nfs/dbraw/zinc/73/80/28/1249738028.db2.gz ODLNNJHRGYYIKG-OAHLLOKOSA-N 2 0 338.883 2.281 10 0 EEAERP CCCCc1nc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cs1 ZINC000903492461 1240656609 /nfs/dbraw/zinc/65/66/09/1240656609.db2.gz FCNNTAGVYDQWDE-AHIWAGSCSA-N 2 0 337.489 2.198 10 0 EEAERP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495282 1240666004 /nfs/dbraw/zinc/66/60/04/1240666004.db2.gz YNLMAVMKCXFZEA-YRNRMSPPSA-N 2 0 345.487 2.480 10 0 EEAERP C[C@H]1CCCC[C@H]1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511239 1240743613 /nfs/dbraw/zinc/74/36/13/1240743613.db2.gz YNITUTVGJCAPDT-IJXRJRJASA-N 2 0 335.536 2.482 10 0 EEAERP COCC[N@@H+](Cc1cccs1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903876174 1242274885 /nfs/dbraw/zinc/27/48/85/1242274885.db2.gz FFJZDOHMYBOWGO-HNNXBMFYSA-N 2 0 336.505 2.056 10 0 EEAERP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903896934 1242377472 /nfs/dbraw/zinc/37/74/72/1242377472.db2.gz BRMLZMWCIQECHF-BHYGNILZSA-N 2 0 335.496 2.228 10 0 EEAERP O[C@@H](C[C@@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000903899990 1242398466 /nfs/dbraw/zinc/39/84/66/1242398466.db2.gz XQRPWUYSQVAQGN-VEDBGLOESA-N 2 0 336.501 2.403 10 0 EEAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903986940 1242882426 /nfs/dbraw/zinc/88/24/26/1242882426.db2.gz UJOIHQMMOIFJSY-QHGAOEGBSA-N 3 0 347.551 2.233 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)n1 ZINC000827205393 1250737655 /nfs/dbraw/zinc/73/76/55/1250737655.db2.gz MGHKNUKPUPWIQI-QLFBSQMISA-N 2 0 336.867 2.176 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000827205395 1250737764 /nfs/dbraw/zinc/73/77/64/1250737764.db2.gz MGHKNUKPUPWIQI-RRFJBIMHSA-N 2 0 336.867 2.176 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCCCF)CC[N@@H+]1C ZINC001491213744 1258788179 /nfs/dbraw/zinc/78/81/79/1258788179.db2.gz KVDHDOAOXCGEGL-BRWVUGGUSA-N 2 0 327.488 2.437 10 0 EEAERP O=C(Cc1cnc[nH]1)N1CCCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001491264175 1258864048 /nfs/dbraw/zinc/86/40/48/1258864048.db2.gz JFIGOEQYHFISTJ-GFCCVEGCSA-N 2 0 331.247 2.242 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001491297927 1258922450 /nfs/dbraw/zinc/92/24/50/1258922450.db2.gz AQNDODOVRRNAOT-ROUUACIJSA-N 2 0 344.503 2.203 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCOC2CCC2)CC1 ZINC001491356060 1258989915 /nfs/dbraw/zinc/98/99/15/1258989915.db2.gz LLFWIKCGETUQGV-LEOMRAHMSA-N 2 0 337.508 2.057 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/c1ccccc1 ZINC001491457193 1259101219 /nfs/dbraw/zinc/10/12/19/1259101219.db2.gz OCKQOHSWVJGCKS-HXSXWYSASA-N 2 0 327.472 2.136 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001491472527 1259117211 /nfs/dbraw/zinc/11/72/11/1259117211.db2.gz CERQYGOJRJIEPB-ZFWWWQNUSA-N 2 0 338.883 2.204 10 0 EEAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001273476549 1278576137 /nfs/dbraw/zinc/57/61/37/1278576137.db2.gz RIYAUWLWBFMMJU-INIZCTEOSA-N 2 0 338.521 2.202 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273753874 1284841167 /nfs/dbraw/zinc/84/11/67/1284841167.db2.gz ZXJDOZCMABAWLI-GFCCVEGCSA-N 2 0 329.897 2.291 10 0 EEAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(Cl)ccc1F ZINC001490279810 1291106021 /nfs/dbraw/zinc/10/60/21/1291106021.db2.gz POLMGXGLCPZVDQ-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)ns1 ZINC001490280950 1291108375 /nfs/dbraw/zinc/10/83/75/1291108375.db2.gz BZYHLIPKWNHZSF-INIZCTEOSA-N 2 0 338.521 2.264 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](Cc1cncc(F)c1)CC2 ZINC001490605949 1291515796 /nfs/dbraw/zinc/51/57/96/1291515796.db2.gz OFAIBAPVFUBRHZ-KRWDZBQOSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710818 1291595840 /nfs/dbraw/zinc/59/58/40/1291595840.db2.gz VCCIHAUGHHKQPG-PBHICJAKSA-N 2 0 331.451 2.043 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740754 1291653456 /nfs/dbraw/zinc/65/34/56/1291653456.db2.gz FWQINURWTFONHE-RTBURBONSA-N 2 0 344.503 2.186 10 0 EEAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844691 1292214125 /nfs/dbraw/zinc/21/41/25/1292214125.db2.gz JRNSGOYVRMCPIF-KGLIPLIRSA-N 2 0 338.883 2.422 10 0 EEAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(Br)cc1F ZINC000858142594 1294019691 /nfs/dbraw/zinc/01/96/91/1294019691.db2.gz GUTDDRYVKJHGMA-UHFFFAOYSA-N 2 0 345.256 2.443 10 0 EEAERP CN(CC[Si](C)(C)CCN(C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000859137496 1294328231 /nfs/dbraw/zinc/32/82/31/1294328231.db2.gz MIAURNNZBLRDPV-UHFFFAOYSA-N 2 0 334.544 2.405 10 0 EEAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000863551680 1296330878 /nfs/dbraw/zinc/33/08/78/1296330878.db2.gz PIHOMGNIUSELOJ-CVEARBPZSA-N 2 0 335.835 2.097 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001274038121 1296840336 /nfs/dbraw/zinc/84/03/36/1296840336.db2.gz VNOWXLVGWHHZBX-ZYOQUQOHSA-N 2 0 329.435 2.024 10 0 EEAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000926783331 1296918949 /nfs/dbraw/zinc/91/89/49/1296918949.db2.gz RFRWKTFCUYOLQM-UFRUDQCGSA-N 2 0 343.515 2.338 10 0 EEAERP COc1cccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1C ZINC001277264122 1302071782 /nfs/dbraw/zinc/07/17/82/1302071782.db2.gz NOMMBPVXAGODLF-MAUKXSAKSA-N 2 0 347.503 2.472 10 0 EEAERP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)o1 ZINC001277292114 1302221470 /nfs/dbraw/zinc/22/14/70/1302221470.db2.gz VIYGLDOBQUGFSC-ZDUSSCGKSA-N 2 0 336.480 2.008 10 0 EEAERP CCOCC[N@H+](CC1CC1)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001277394089 1302823556 /nfs/dbraw/zinc/82/35/56/1302823556.db2.gz YAUVBNSYLVLSCX-UHFFFAOYSA-N 2 0 348.491 2.000 10 0 EEAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001277693590 1304197558 /nfs/dbraw/zinc/19/75/58/1304197558.db2.gz LYNZTLQAHMDGRT-CRAIPNDOSA-N 2 0 327.488 2.436 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1)[NH+](C)C ZINC001277981883 1305568278 /nfs/dbraw/zinc/56/82/78/1305568278.db2.gz PUUODEHBSXAOOD-PKOBYXMFSA-N 2 0 347.503 2.232 10 0 EEAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1)[NH+](C)C ZINC001277981881 1305568673 /nfs/dbraw/zinc/56/86/73/1305568673.db2.gz PUUODEHBSXAOOD-IEBWSBKVSA-N 2 0 347.503 2.232 10 0 EEAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001278300199 1309149426 /nfs/dbraw/zinc/14/94/26/1309149426.db2.gz GDPLONRHSCHTMJ-FUHWJXTLSA-N 2 0 335.467 2.100 10 0 EEAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001278411529 1310136466 /nfs/dbraw/zinc/13/64/66/1310136466.db2.gz SGFAWSCDBJPDLC-JOGGYFKDSA-N 2 0 337.508 2.033 10 0 EEAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001276404605 1315583061 /nfs/dbraw/zinc/58/30/61/1315583061.db2.gz JTTBUZSUPHXHPS-LJQANCHMSA-N 2 0 346.519 2.449 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001263840869 1322534357 /nfs/dbraw/zinc/53/43/57/1322534357.db2.gz UQYKOSVGHSHUIA-SCTDSRPQSA-N 2 0 345.487 2.034 10 0 EEAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001263861879 1322540806 /nfs/dbraw/zinc/54/08/06/1322540806.db2.gz QYDFLGXHFLAOOI-BHIYHBOVSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001264000490 1322581709 /nfs/dbraw/zinc/58/17/09/1322581709.db2.gz RUTQDQQIWIDJEQ-VFXHQOSVSA-N 2 0 327.900 2.297 10 0 EEAERP CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001264039434 1322595936 /nfs/dbraw/zinc/59/59/36/1322595936.db2.gz VHZMMMCXDCHNHY-UONOGXRCSA-N 2 0 349.441 2.497 10 0 EEAERP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1)[NH+](C)C ZINC001264091356 1322616292 /nfs/dbraw/zinc/61/62/92/1322616292.db2.gz ZIHAGECZTKYKRT-SQNIBIBYSA-N 2 0 341.515 2.493 10 0 EEAERP Cc1nc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)co1 ZINC001264517244 1322721859 /nfs/dbraw/zinc/72/18/59/1322721859.db2.gz CXLDFTWTTPMTPY-RHSMWYFYSA-N 2 0 336.480 2.042 10 0 EEAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCc1ccccc1Cl ZINC001265068903 1322905358 /nfs/dbraw/zinc/90/53/58/1322905358.db2.gz VKJMIEODOQKFJH-MRXNPFEDSA-N 2 0 337.895 2.272 10 0 EEAERP 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/nfs/dbraw/zinc/33/06/96/1323330696.db2.gz VOXNOJDTTXTVLW-ZWKOTPCHSA-N 2 0 339.524 2.210 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001265823847 1323402852 /nfs/dbraw/zinc/40/28/52/1323402852.db2.gz NDHUPAHYYVDFNE-ZDUSSCGKSA-N 2 0 340.899 2.307 10 0 EEAERP Cc1cncc(C[N@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001265932914 1323497304 /nfs/dbraw/zinc/49/73/04/1323497304.db2.gz AHYMIZDPGPOXCV-UHFFFAOYSA-N 2 0 332.492 2.060 10 0 EEAERP O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001266138649 1323708520 /nfs/dbraw/zinc/70/85/20/1323708520.db2.gz OGEMHYONUYYROG-OZFCATNASA-N 2 0 325.884 2.051 10 0 EEAERP O=C(CCC[NH+]1CCCC1)NCC1=CC[N@H+](Cc2ccccn2)CC1 ZINC001279694868 1323980264 /nfs/dbraw/zinc/98/02/64/1323980264.db2.gz GDLLSCNXKDIWAJ-UHFFFAOYSA-N 2 0 342.487 2.206 10 0 EEAERP COCCC[N@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001279696306 1323980991 /nfs/dbraw/zinc/98/09/91/1323980991.db2.gz WDPPHLSOGMXLAP-UHFFFAOYSA-N 2 0 345.487 2.147 10 0 EEAERP CC/C=C/CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001276539833 1324013047 /nfs/dbraw/zinc/01/30/47/1324013047.db2.gz GIMBYNMFFFYXLG-LJGXYGFNSA-N 2 0 349.519 2.130 10 0 EEAERP C[C@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143468 1324094505 /nfs/dbraw/zinc/09/45/05/1324094505.db2.gz VZADFWJFPVSAPV-JKSUJKDBSA-N 2 0 327.488 2.437 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC001281475712 1325146865 /nfs/dbraw/zinc/14/68/65/1325146865.db2.gz KHZLXRHPOILMHW-MJGOQNOKSA-N 2 0 347.503 2.232 10 0 EEAERP CC(C)=CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001283417294 1326058883 /nfs/dbraw/zinc/05/88/83/1326058883.db2.gz TWPUJKXGZCKWMG-QZTJIDSGSA-N 2 0 337.508 2.034 10 0 EEAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001284815182 1326726508 /nfs/dbraw/zinc/72/65/08/1326726508.db2.gz GUSBEFPAGYOVMK-UHFFFAOYSA-N 2 0 347.425 2.394 10 0 EEAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491581014 1330172401 /nfs/dbraw/zinc/17/24/01/1330172401.db2.gz YZOMUPZSFHDUFJ-OLZOCXBDSA-N 2 0 341.858 2.415 10 0 EEAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001491650836 1330198731 /nfs/dbraw/zinc/19/87/31/1330198731.db2.gz SQJMMGOZIYQJNA-YVEFUNNKSA-N 2 0 339.430 2.388 10 0 EEAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001491935569 1330326972 /nfs/dbraw/zinc/32/69/72/1330326972.db2.gz YEBVVTACAHJHGC-ZWKOTPCHSA-N 2 0 339.524 2.066 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCc2ccccc2)[C@@H]1C ZINC001316799945 1331899232 /nfs/dbraw/zinc/89/92/32/1331899232.db2.gz NVOUBEXNYWWTKR-MJGOQNOKSA-N 2 0 347.503 2.122 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(Cl)nc1 ZINC001316908369 1331974732 /nfs/dbraw/zinc/97/47/32/1331974732.db2.gz BDSVXJVESPPDLG-HNNXBMFYSA-N 2 0 338.883 2.015 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317114470 1332085083 /nfs/dbraw/zinc/08/50/83/1332085083.db2.gz XSYFZRMHJHEKLJ-FCEWJHQRSA-N 2 0 349.519 2.199 10 0 EEAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001317190685 1332123217 /nfs/dbraw/zinc/12/32/17/1332123217.db2.gz WVTZRLJWWOADNB-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001317191844 1332123825 /nfs/dbraw/zinc/12/38/25/1332123825.db2.gz GHYQBDNVERLAIP-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001317241890 1332149306 /nfs/dbraw/zinc/14/93/06/1332149306.db2.gz OGKLWAJAMPWJBH-XLIONFOSSA-N 2 0 343.515 2.364 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317266447 1332158582 /nfs/dbraw/zinc/15/85/82/1332158582.db2.gz WULAISPWVDPPOC-FUHWJXTLSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1)[NH+](C)C ZINC001317336822 1332184258 /nfs/dbraw/zinc/18/42/58/1332184258.db2.gz JAHRFHGRLBZUMK-MOPGFXCFSA-N 2 0 331.504 2.398 10 0 EEAERP COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317363590 1332196336 /nfs/dbraw/zinc/19/63/36/1332196336.db2.gz NFZHZQRFXPEMMT-RBUKOAKNSA-N 2 0 347.503 2.415 10 0 EEAERP O=C(NC[C@H]1CCC[N@@H+]1CCOCC1CCC1)C12CCC[NH+]1CCC2 ZINC001317503860 1332269754 /nfs/dbraw/zinc/26/97/54/1332269754.db2.gz TYYRKCRGAOJLJJ-GOSISDBHSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001317642128 1332343890 /nfs/dbraw/zinc/34/38/90/1332343890.db2.gz OYYKLFVCYSDPCB-UHFFFAOYSA-N 2 0 335.467 2.414 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccccc1C1CC1 ZINC001317656011 1332352713 /nfs/dbraw/zinc/35/27/13/1332352713.db2.gz DKSMCUXLGOQWLL-UHFFFAOYSA-N 2 0 326.444 2.386 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001318822696 1332604870 /nfs/dbraw/zinc/60/48/70/1332604870.db2.gz DHZIEXYYTXUWCW-ZZQZRYSSSA-N 2 0 327.900 2.442 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccn3)C2)C1 ZINC001318831829 1332607072 /nfs/dbraw/zinc/60/70/72/1332607072.db2.gz YCDBFHISPYYPNI-ROUUACIJSA-N 2 0 344.503 2.142 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCF)[NH+]1CCCCC1 ZINC001320135891 1332835821 /nfs/dbraw/zinc/83/58/21/1332835821.db2.gz XZCSPSGYURIBJE-JKSUJKDBSA-N 2 0 327.488 2.485 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320463287 1332890066 /nfs/dbraw/zinc/89/00/66/1332890066.db2.gz GOMNJDXJCNWWGW-MAUKXSAKSA-N 2 0 349.523 2.241 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320523372 1332902583 /nfs/dbraw/zinc/90/25/83/1332902583.db2.gz NGJKTKJYEGDBLQ-KXBFYZLASA-N 2 0 345.487 2.186 10 0 EEAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1c(F)cccc1Cl)[NH+](C)C ZINC001321709657 1333146466 /nfs/dbraw/zinc/14/64/66/1333146466.db2.gz FIBSFBURNUZZNH-WBMJQRKESA-N 2 0 343.874 2.456 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001321897060 1333175901 /nfs/dbraw/zinc/17/59/01/1333175901.db2.gz NGYLQGCKNYAQQL-HKUYNNGSSA-N 2 0 347.503 2.261 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001324826257 1333768182 /nfs/dbraw/zinc/76/81/82/1333768182.db2.gz OQLMHPKTJAQJBU-NFCKIUOLSA-N 2 0 341.499 2.480 10 0 EEAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001325563084 1333912545 /nfs/dbraw/zinc/91/25/45/1333912545.db2.gz WFJDDSUDLHOGAS-DOTOQJQBSA-N 2 0 337.533 2.317 10 0 EEAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cncs1 ZINC001325582255 1333916819 /nfs/dbraw/zinc/91/68/19/1333916819.db2.gz PNYNNSUCWUIELV-LSDHHAIUSA-N 2 0 338.521 2.059 10 0 EEAERP CC[C@H](F)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001325954744 1334005463 /nfs/dbraw/zinc/00/54/63/1334005463.db2.gz FNBOBUYRKWZTIV-YESZJQIVSA-N 2 0 327.488 2.389 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326410550 1334087097 /nfs/dbraw/zinc/08/70/97/1334087097.db2.gz ACPWLDAZZMBBEM-UXHICEINSA-N 2 0 343.515 2.399 10 0 EEAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326980504 1334195772 /nfs/dbraw/zinc/19/57/72/1334195772.db2.gz UVZIEPONMXSDCE-MSOLQXFVSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)c1 ZINC001327899241 1334361148 /nfs/dbraw/zinc/36/11/48/1334361148.db2.gz BLEDOUGRGRRDHT-HKUYNNGSSA-N 2 0 331.504 2.316 10 0 EEAERP CC(C)OCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001329244045 1334614186 /nfs/dbraw/zinc/61/41/86/1334614186.db2.gz QAKQGUZIYZUWPW-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001330549507 1334869048 /nfs/dbraw/zinc/86/90/48/1334869048.db2.gz DUIFSFAQDPADLE-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1 ZINC001330614313 1334877706 /nfs/dbraw/zinc/87/77/06/1334877706.db2.gz SWUNNRVWJSXLOU-BFYDXBDKSA-N 2 0 335.517 2.259 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806213 1335646471 /nfs/dbraw/zinc/64/64/71/1335646471.db2.gz WSFJSCZXKWLPFF-IAGOWNOFSA-N 2 0 341.540 2.142 10 0 EEAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001332217175 1335770014 /nfs/dbraw/zinc/77/00/14/1335770014.db2.gz GXCAIRQAPLWQHM-QFBILLFUSA-N 2 0 347.503 2.367 10 0 EEAERP CCOCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332826842 1335914907 /nfs/dbraw/zinc/91/49/07/1335914907.db2.gz QXWDVXDXBUWHBJ-JKSUJKDBSA-N 2 0 327.513 2.018 10 0 EEAERP CO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001480322997 1337992947 /nfs/dbraw/zinc/99/29/47/1337992947.db2.gz GRWHDLDEYVLEJW-MOPGFXCFSA-N 2 0 347.503 2.297 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC001434325144 1341829355 /nfs/dbraw/zinc/82/93/55/1341829355.db2.gz YSLFGVQNDVYJSS-IAGOWNOFSA-N 2 0 330.476 2.239 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001673343235 1356670142 /nfs/dbraw/zinc/67/01/42/1356670142.db2.gz VXPPYAVPWNEJIR-IAGOWNOFSA-N 2 0 339.524 2.114 10 0 EEAERP COCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001566736727 1342617891 /nfs/dbraw/zinc/61/78/91/1342617891.db2.gz SHAXNCNMJPLSCI-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC001567504733 1342774519 /nfs/dbraw/zinc/77/45/19/1342774519.db2.gz VHILTJRQBYGUPI-GOSISDBHSA-N 2 0 347.503 2.426 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)CCC1 ZINC001570040423 1343003239 /nfs/dbraw/zinc/00/32/39/1343003239.db2.gz QLCKJWJYECMSMJ-LNPHFEJUSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001570514303 1343077352 /nfs/dbraw/zinc/07/73/52/1343077352.db2.gz QROTZKFBZVKVKX-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001570514410 1343077679 /nfs/dbraw/zinc/07/76/79/1343077679.db2.gz YIPOVDDHBMNUEO-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)[NH+]1CCCC1 ZINC001571569057 1343240163 /nfs/dbraw/zinc/24/01/63/1343240163.db2.gz WXARHJWTAVPKRY-JKSUJKDBSA-N 2 0 327.488 2.293 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001676768481 1357197040 /nfs/dbraw/zinc/19/70/40/1357197040.db2.gz UVSOETWGTYKVSA-SJLPKXTDSA-N 2 0 349.523 2.275 10 0 EEAERP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCc2cccs2)C1)C12CC[NH+](CC1)C2 ZINC001676965276 1357250632 /nfs/dbraw/zinc/25/06/32/1357250632.db2.gz LGZMNUKGGMHPNG-HZPDHXFCSA-N 2 0 347.528 2.261 10 0 EEAERP COCCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001677215176 1357295713 /nfs/dbraw/zinc/29/57/13/1357295713.db2.gz DYCLPKOFWHCNEG-ROUUACIJSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cccc(OCC[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001677599006 1357368287 /nfs/dbraw/zinc/36/82/87/1357368287.db2.gz RXFCXDXIYWUDSB-UHFFFAOYSA-N 2 0 345.487 2.074 10 0 EEAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(F)cc1 ZINC001647113798 1353148855 /nfs/dbraw/zinc/14/88/55/1353148855.db2.gz CKNOVJLFLCEGCB-BPQIPLTHSA-N 2 0 346.450 2.107 10 0 EEAERP COC1CC[NH+](C2(CNC(=O)[C@H]3CCCC[C@@H]3[NH3+])CCCC2)CC1 ZINC001647248743 1353206372 /nfs/dbraw/zinc/20/63/72/1353206372.db2.gz LVNDCWSLKNDAQS-IRXDYDNUSA-N 2 0 337.508 2.044 10 0 EEAERP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3COC4(CCC4)C3)c2)CC1 ZINC001647275083 1353215146 /nfs/dbraw/zinc/21/51/46/1353215146.db2.gz KKLNELZPYHTKES-IBGZPJMESA-N 2 0 329.488 2.235 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001656175814 1354210987 /nfs/dbraw/zinc/21/09/87/1354210987.db2.gz HSOBEOCSTXNAJO-ZACQAIPSSA-N 2 0 335.517 2.117 10 0 EEAERP COC(=O)/C=C/c1ccc(OCCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC001656311141 1354222697 /nfs/dbraw/zinc/22/26/97/1354222697.db2.gz KXLQUJXXLCZIQY-ARGQNCHBSA-N 2 0 344.455 2.135 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001656909523 1354298783 /nfs/dbraw/zinc/29/87/83/1354298783.db2.gz PNGJILMBNGUPPX-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001656909519 1354298977 /nfs/dbraw/zinc/29/89/77/1354298977.db2.gz PNGJILMBNGUPPX-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001656970560 1354305131 /nfs/dbraw/zinc/30/51/31/1354305131.db2.gz OILQRAQSECWCPU-SJORKVTESA-N 2 0 337.508 2.009 10 0 EEAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001657106156 1354328547 /nfs/dbraw/zinc/32/85/47/1354328547.db2.gz MQBRRYXJRZGQMR-SJORKVTESA-N 2 0 341.540 2.360 10 0 EEAERP CO[C@H](C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001660291328 1354431660 /nfs/dbraw/zinc/43/16/60/1354431660.db2.gz PQKQCLVTXYMQBL-LJQANCHMSA-N 2 0 347.503 2.154 10 0 EEAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cc2ccccc2o1 ZINC001660368037 1354450115 /nfs/dbraw/zinc/45/01/15/1354450115.db2.gz BINHPPGFQWZDRD-UHFFFAOYSA-N 2 0 341.455 2.467 10 0 EEAERP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1)[NH+](C)C ZINC001661946041 1354726894 /nfs/dbraw/zinc/72/68/94/1354726894.db2.gz DFFJTMRIBBVDRM-FUHWJXTLSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1cc(C[NH2+]C2CCC(NC(=O)CCCC[NH+](C)C)CC2)no1 ZINC001662138650 1354754250 /nfs/dbraw/zinc/75/42/50/1354754250.db2.gz NOUBCWZEAQNZAN-UHFFFAOYSA-N 2 0 336.480 2.232 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001662680912 1354825286 /nfs/dbraw/zinc/82/52/86/1354825286.db2.gz VHIWUAGDIVJXSL-HUUCEWRRSA-N 2 0 331.451 2.202 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001662779502 1354844356 /nfs/dbraw/zinc/84/43/56/1354844356.db2.gz NNFFOLFBZCLIMX-GJZGRUSLSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1nocc1C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663067010 1354906840 /nfs/dbraw/zinc/90/68/40/1354906840.db2.gz OVQGYVUBBYFRPB-BPQIPLTHSA-N 2 0 348.491 2.184 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001664186332 1355110238 /nfs/dbraw/zinc/11/02/38/1355110238.db2.gz MPPLZWXVSMTHMZ-CYBMUJFWSA-N 2 0 341.858 2.369 10 0 EEAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)COC1CC[NH+](C)CC1 ZINC001664272330 1355126598 /nfs/dbraw/zinc/12/65/98/1355126598.db2.gz IHSUDWMAFGEZJQ-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001665736727 1355377588 /nfs/dbraw/zinc/37/75/88/1355377588.db2.gz DZJAEFJARZBYNS-SFHVURJKSA-N 2 0 332.492 2.236 10 0 EEAERP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@H]1CCn2ccnc2C1 ZINC001665934101 1355412291 /nfs/dbraw/zinc/41/22/91/1355412291.db2.gz XIAUKJYSBQMKQR-RRFAQUSLSA-N 2 0 336.867 2.217 10 0 EEAERP CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cc(C)on2)CC1)[NH+](C)C ZINC001666256631 1355497732 /nfs/dbraw/zinc/49/77/32/1355497732.db2.gz SKWMCNJITAQZJT-QGZVFWFLSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)CCC[NH+](C)C ZINC001666976617 1355625749 /nfs/dbraw/zinc/62/57/49/1355625749.db2.gz IEQVFDGBUCKEGZ-ZDUSSCGKSA-N 2 0 326.872 2.013 10 0 EEAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001667216561 1355676530 /nfs/dbraw/zinc/67/65/30/1355676530.db2.gz IXYKAZGSDYPKSB-ROUUACIJSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2cccnc2)C1 ZINC001667284383 1355698345 /nfs/dbraw/zinc/69/83/45/1355698345.db2.gz KMIVFKUMIQTTNY-IEBWSBKVSA-N 2 0 344.503 2.284 10 0 EEAERP COCCC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001667296832 1355702008 /nfs/dbraw/zinc/70/20/08/1355702008.db2.gz UMFBGVFWOJMXMP-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCOC1 ZINC001667307103 1355705429 /nfs/dbraw/zinc/70/54/29/1355705429.db2.gz QQQYSPNNAZKWMF-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ccc(OCC[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1 ZINC001667520240 1355753779 /nfs/dbraw/zinc/75/37/79/1355753779.db2.gz XMNOQJXGYYOAQF-IEBWSBKVSA-N 2 0 347.503 2.056 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668431267 1355939401 /nfs/dbraw/zinc/93/94/01/1355939401.db2.gz YRYFYCVVTGPXKW-IBGZPJMESA-N 2 0 329.488 2.009 10 0 EEAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc2cc[nH]c2c1)[NH+](C)C ZINC001668619835 1355974276 /nfs/dbraw/zinc/97/42/76/1355974276.db2.gz WYYRHQVGQUQQSZ-GOSISDBHSA-N 2 0 330.476 2.446 10 0 EEAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1)C1CCC1 ZINC001668865546 1356029042 /nfs/dbraw/zinc/02/90/42/1356029042.db2.gz ZUONBPSRAKXVBN-IHWYPQMZSA-N 2 0 337.414 2.211 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@@H]1CCCc2ccccc21)C12CC[NH+](CC1)C2 ZINC001669140022 1356105387 /nfs/dbraw/zinc/10/53/87/1356105387.db2.gz VMOYAAGKODLKKT-GNAXCBTBSA-N 2 0 339.483 2.422 10 0 EEAERP CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670275747 1356309819 /nfs/dbraw/zinc/30/98/19/1356309819.db2.gz QDXMYHXOYXTOBE-SJLPKXTDSA-N 2 0 348.491 2.192 10 0 EEAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001672796436 1356585663 /nfs/dbraw/zinc/58/56/63/1356585663.db2.gz OXFIEPLOVTZHNK-MGPQQGTHSA-N 2 0 335.414 2.107 10 0 EEAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001672915231 1356614305 /nfs/dbraw/zinc/61/43/05/1356614305.db2.gz GNKWXVNKEUZQJL-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP COCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001673396765 1356684733 /nfs/dbraw/zinc/68/47/33/1356684733.db2.gz KKWHQVYGNNKFBJ-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001674389163 1356826279 /nfs/dbraw/zinc/82/62/79/1356826279.db2.gz ORSXWRSUDNRNLP-BZSNNMDCSA-N 2 0 337.508 2.011 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001675258012 1356953270 /nfs/dbraw/zinc/95/32/70/1356953270.db2.gz MKHFOFLOKGIVBR-QZTJIDSGSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001675677432 1357034232 /nfs/dbraw/zinc/03/42/32/1357034232.db2.gz FKKSVBNLBFDGEP-MRXNPFEDSA-N 2 0 327.488 2.391 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001698838944 1405100213 /nfs/dbraw/zinc/10/02/13/1405100213.db2.gz GTGHASSTJMPVGC-APWZRJJASA-N 2 0 331.504 2.322 10 0 EEAERP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)CC[NH+](C)C ZINC001698843187 1405103206 /nfs/dbraw/zinc/10/32/06/1405103206.db2.gz AUSURMVKGJCHCI-AWEZNQCLSA-N 2 0 325.884 2.271 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CCCCO1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699261089 1405304100 /nfs/dbraw/zinc/30/41/00/1405304100.db2.gz JDBFIZMUBVEWRK-WFRZBGSESA-N 2 0 349.519 2.225 10 0 EEAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001699550162 1405384691 /nfs/dbraw/zinc/38/46/91/1405384691.db2.gz FDVVARREXVQUCP-KGLIPLIRSA-N 2 0 339.430 2.416 10 0 EEAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2o1 ZINC001699550643 1405386702 /nfs/dbraw/zinc/38/67/02/1405386702.db2.gz KEKWTRKDQAYJGB-LSDHHAIUSA-N 2 0 344.459 2.279 10 0 EEAERP C[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000261679096 780005275 /nfs/dbraw/zinc/00/52/75/780005275.db2.gz HIBHRAKSWLVYJM-VQIMIIECSA-N 2 0 325.456 2.353 10 0 EEAERP COc1c(C)cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1C ZINC000816620794 784156453 /nfs/dbraw/zinc/15/64/53/784156453.db2.gz LXYKJQOIKOJLDA-UHFFFAOYSA-N 2 0 347.503 2.394 10 0 EEAERP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000923282835 789296467 /nfs/dbraw/zinc/29/64/67/789296467.db2.gz YMQWWLRAIVXIJI-VXGBXAGGSA-N 2 0 333.259 2.404 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000923448955 789562117 /nfs/dbraw/zinc/56/21/17/789562117.db2.gz JAQTVNIXNFBYGJ-MRXNPFEDSA-N 2 0 348.443 2.014 10 0 EEAERP C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC[C@H]1C[NH3+] ZINC000923498575 789679858 /nfs/dbraw/zinc/67/98/58/789679858.db2.gz PCWFRXGXRRGLJG-RYUDHWBXSA-N 2 0 326.400 2.498 10 0 EEAERP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923500932 789685342 /nfs/dbraw/zinc/68/53/42/789685342.db2.gz SBOMFEMPERLZED-OWCLPIDISA-N 2 0 346.475 2.257 10 0 EEAERP C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000913939945 794622440 /nfs/dbraw/zinc/62/24/40/794622440.db2.gz QDTHSUSVCBBQCU-CRAIPNDOSA-N 2 0 330.476 2.174 10 0 EEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000913948682 794642815 /nfs/dbraw/zinc/64/28/15/794642815.db2.gz PIFCYQQEULJGEE-QAPCUYQASA-N 2 0 332.492 2.420 10 0 EEAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000914023919 794757810 /nfs/dbraw/zinc/75/78/10/794757810.db2.gz MYYYTXYTUCLBFO-MAUKXSAKSA-N 2 0 332.492 2.419 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921686790 794901843 /nfs/dbraw/zinc/90/18/43/794901843.db2.gz YKLLJIAGZRFLRW-CYBMUJFWSA-N 2 0 339.915 2.304 10 0 EEAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001176037951 798326392 /nfs/dbraw/zinc/32/63/92/798326392.db2.gz COOPZGKYBOEDRX-APWZRJJASA-N 2 0 344.503 2.497 10 0 EEAERP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000922077350 798832613 /nfs/dbraw/zinc/83/26/13/798832613.db2.gz OPUUADPQSMTVFE-HKUYNNGSSA-N 2 0 330.476 2.044 10 0 EEAERP C[NH+]1CCC(C[NH2+]Cc2cnc3n2CCOC3)(c2ccccc2)CC1 ZINC000922316364 800498711 /nfs/dbraw/zinc/49/87/11/800498711.db2.gz MESDLMJVYFLOBZ-UHFFFAOYSA-N 2 0 340.471 2.167 10 0 EEAERP CC(C)OCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001565943890 1125469815 /nfs/dbraw/zinc/46/98/15/1125469815.db2.gz WJYZBNHXBJGJTG-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001566125421 1125573738 /nfs/dbraw/zinc/57/37/38/1125573738.db2.gz IDPQESHRLZBLEU-UHFFFAOYSA-N 2 0 336.505 2.012 10 0 EEAERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC001566498186 1125664901 /nfs/dbraw/zinc/66/49/01/1125664901.db2.gz WWQMTMQXZNESMO-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1F ZINC001566550240 1125722289 /nfs/dbraw/zinc/72/22/89/1125722289.db2.gz FHXILQXURBCEFF-SFHVURJKSA-N 2 0 347.478 2.496 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001436474391 1087941930 /nfs/dbraw/zinc/94/19/30/1087941930.db2.gz HGRWIBYJSOXNDR-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccc(CCC[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001436743296 1088224397 /nfs/dbraw/zinc/22/43/97/1088224397.db2.gz CYNVLVINDLZIAP-IBGZPJMESA-N 2 0 331.504 2.458 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001436794788 1088362914 /nfs/dbraw/zinc/36/29/14/1088362914.db2.gz YQBIYWCEAPBXQM-JKSUJKDBSA-N 2 0 327.488 2.483 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001436825212 1088425660 /nfs/dbraw/zinc/42/56/60/1088425660.db2.gz GIBVJJCBPHWTPD-FQEVSTJZSA-N 2 0 341.499 2.256 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)C[C@@H]2CCCCO2)C1 ZINC001436855125 1088500652 /nfs/dbraw/zinc/50/06/52/1088500652.db2.gz VZQPETUNSVAXEL-MSOLQXFVSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001436901614 1088554976 /nfs/dbraw/zinc/55/49/76/1088554976.db2.gz XABIQNCSZMPYOM-MGPQQGTHSA-N 2 0 327.469 2.408 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001437000044 1088748329 /nfs/dbraw/zinc/74/83/29/1088748329.db2.gz TUQMFWVDJXROTN-DLBZAZTESA-N 2 0 347.478 2.496 10 0 EEAERP CC(C)(C(=O)NC[C@H]1CCC[N@H+](C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001437005161 1088770931 /nfs/dbraw/zinc/77/09/31/1088770931.db2.gz YPZICUZEPLKTKX-PMGBHYCQSA-N 2 0 327.900 2.442 10 0 EEAERP COc1cc(Cl)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001437126072 1089109827 /nfs/dbraw/zinc/10/98/27/1089109827.db2.gz PERILSBYVWCCKL-WFASDCNBSA-N 2 0 339.867 2.037 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001437127255 1089112184 /nfs/dbraw/zinc/11/21/84/1089112184.db2.gz FEDYIAMFJBOKBX-WMLDXEAASA-N 2 0 333.451 2.070 10 0 EEAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437212904 1089291110 /nfs/dbraw/zinc/29/11/10/1089291110.db2.gz HMOCZMXIJLSVBM-UKRRQHHQSA-N 2 0 331.451 2.248 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1coc(C2CC2)n1 ZINC001437369533 1089607784 /nfs/dbraw/zinc/60/77/84/1089607784.db2.gz GDNXZXGBGXPYFE-PBHICJAKSA-N 2 0 348.491 2.409 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001437739510 1090299175 /nfs/dbraw/zinc/29/91/75/1090299175.db2.gz OBYAJKJUOYJXOP-KRWDZBQOSA-N 2 0 342.487 2.446 10 0 EEAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001437919885 1090506951 /nfs/dbraw/zinc/50/69/51/1090506951.db2.gz QPCBESVXMUTNAC-NBZFBGEYSA-N 2 0 327.900 2.440 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCCF)C1 ZINC001437939194 1090532025 /nfs/dbraw/zinc/53/20/25/1090532025.db2.gz SXGOINHYMLVBLF-IAGOWNOFSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1)[NH+](C)C ZINC001438019407 1090608516 /nfs/dbraw/zinc/60/85/16/1090608516.db2.gz UYLPAYVYYOENAE-ZNMIVQPWSA-N 2 0 331.451 2.343 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)nc1C ZINC001438332864 1090807497 /nfs/dbraw/zinc/80/74/97/1090807497.db2.gz LSZUKMMCXYJZSI-RDTXWAMCSA-N 2 0 332.492 2.025 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001438511134 1091003116 /nfs/dbraw/zinc/00/31/16/1091003116.db2.gz ZDDXMHHCVJPIQE-CJNGLKHVSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1nocc1C[NH2+]C[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001438532286 1091024759 /nfs/dbraw/zinc/02/47/59/1091024759.db2.gz CFAKSRNQJJOFPF-AWEZNQCLSA-N 2 0 344.459 2.200 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001438532288 1091024791 /nfs/dbraw/zinc/02/47/91/1091024791.db2.gz CFAKSRNQJJOFPF-CQSZACIVSA-N 2 0 344.459 2.200 10 0 EEAERP CCC(CC)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001438583513 1091070472 /nfs/dbraw/zinc/07/04/72/1091070472.db2.gz VYSOLCGVINSPSD-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001438669655 1091158319 /nfs/dbraw/zinc/15/83/19/1091158319.db2.gz QNEWTVBFWULAKA-GJZGRUSLSA-N 2 0 327.513 2.111 10 0 EEAERP C[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001445432785 1091189559 /nfs/dbraw/zinc/18/95/59/1091189559.db2.gz HLIJQZODSCFWOG-KGLIPLIRSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001445501301 1091279465 /nfs/dbraw/zinc/27/94/65/1091279465.db2.gz KTBIGHXNOQIGLA-SJLPKXTDSA-N 2 0 332.492 2.105 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445544033 1091312793 /nfs/dbraw/zinc/31/27/93/1091312793.db2.gz AROQZVCFXPRCPK-HDMKZQKVSA-N 2 0 340.471 2.169 10 0 EEAERP Cc1cncc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001438760924 1091328719 /nfs/dbraw/zinc/32/87/19/1091328719.db2.gz AXGOROLWRCXGFB-FUHWJXTLSA-N 2 0 332.492 2.057 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001445575811 1091356549 /nfs/dbraw/zinc/35/65/49/1091356549.db2.gz NAIPTOFXCDDKEZ-KRWDZBQOSA-N 2 0 329.488 2.465 10 0 EEAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001438829845 1091447969 /nfs/dbraw/zinc/44/79/69/1091447969.db2.gz QHEQYBXLZBOIDW-YJBOKZPZSA-N 2 0 335.467 2.398 10 0 EEAERP CN(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001438880440 1091525281 /nfs/dbraw/zinc/52/52/81/1091525281.db2.gz IHTZVTXBSNFGSE-HNNXBMFYSA-N 2 0 331.451 2.296 10 0 EEAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001439125582 1091769715 /nfs/dbraw/zinc/76/97/15/1091769715.db2.gz YXUDMJUQPFYLOH-DOMZBBRYSA-N 2 0 338.521 2.229 10 0 EEAERP CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439154985 1091795778 /nfs/dbraw/zinc/79/57/78/1091795778.db2.gz QMWHUQJJDCMJED-IAGOWNOFSA-N 2 0 347.503 2.410 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001439172624 1091819451 /nfs/dbraw/zinc/81/94/51/1091819451.db2.gz BKOILTPLGSDGOA-MLGOLLRUSA-N 2 0 339.430 2.388 10 0 EEAERP CCc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001445936250 1091870284 /nfs/dbraw/zinc/87/02/84/1091870284.db2.gz KYIGELXGEOVVCG-MOPGFXCFSA-N 2 0 329.488 2.328 10 0 EEAERP Cc1ncccc1C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001446180453 1092246686 /nfs/dbraw/zinc/24/66/86/1092246686.db2.gz FBGFVJKRACGBQQ-KRWDZBQOSA-N 2 0 330.476 2.003 10 0 EEAERP C[N@H+](CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1)C1CCC1 ZINC001446185196 1092259838 /nfs/dbraw/zinc/25/98/38/1092259838.db2.gz VQSJCXMDUOXBBS-SFHVURJKSA-N 2 0 327.472 2.397 10 0 EEAERP C[C@@H]([NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1)c1ccccc1 ZINC001446265089 1092406498 /nfs/dbraw/zinc/40/64/98/1092406498.db2.gz GITBMERCAVSMQB-APWZRJJASA-N 2 0 327.472 2.472 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001439634981 1092556062 /nfs/dbraw/zinc/55/60/62/1092556062.db2.gz GPNLAQOOHJIUCT-RHSMWYFYSA-N 2 0 331.460 2.089 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH+](CCF)C1 ZINC001439682024 1092623755 /nfs/dbraw/zinc/62/37/55/1092623755.db2.gz GPJSSHBMAXMUGT-IRXDYDNUSA-N 2 0 327.488 2.391 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001439697544 1092649467 /nfs/dbraw/zinc/64/94/67/1092649467.db2.gz AGPPQGXQFPQZEC-AEFFLSMTSA-N 2 0 327.488 2.391 10 0 EEAERP COc1ccc(CC[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001439807175 1092766540 /nfs/dbraw/zinc/76/65/40/1092766540.db2.gz XWBVSWGZGAIOHE-UHFFFAOYSA-N 2 0 347.503 2.160 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001440146030 1093206602 /nfs/dbraw/zinc/20/66/02/1093206602.db2.gz BUWWEZIHIVBAKS-IYBDPMFKSA-N 2 0 335.879 2.182 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(F)(F)F ZINC001440183748 1093241883 /nfs/dbraw/zinc/24/18/83/1093241883.db2.gz CSUCNRBWEXFJDQ-KBPBESRZSA-N 2 0 335.414 2.346 10 0 EEAERP Cc1ccc(CC[NH+]2C[C@@H]3[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)cc1 ZINC001448462229 1093470944 /nfs/dbraw/zinc/47/09/44/1093470944.db2.gz DAMWPJHDYNURFG-OWZKRDHZSA-N 2 0 343.515 2.172 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4CC(C)(C)C4)C[C@H]32)C1 ZINC001448472115 1093485830 /nfs/dbraw/zinc/48/58/30/1093485830.db2.gz VMXVRNRPLBGFAE-LEUOFYLZSA-N 2 0 333.520 2.058 10 0 EEAERP CO[C@H](C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1)c1ccccc1 ZINC001440350694 1093503160 /nfs/dbraw/zinc/50/31/60/1093503160.db2.gz FWMGVGFSVLJSMQ-GOSISDBHSA-N 2 0 345.487 2.098 10 0 EEAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@@H](C)F ZINC001448559477 1093605423 /nfs/dbraw/zinc/60/54/23/1093605423.db2.gz RLKNVKSFWPNBCW-HZPDHXFCSA-N 2 0 327.488 2.483 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001440466371 1093689585 /nfs/dbraw/zinc/68/95/85/1093689585.db2.gz RVJAIABCYHRSCI-MSOLQXFVSA-N 2 0 339.524 2.257 10 0 EEAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001440476956 1093706267 /nfs/dbraw/zinc/70/62/67/1093706267.db2.gz ZWXWTVXSTBPLOE-ZWKOTPCHSA-N 2 0 348.491 2.280 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCOc1ccccc1 ZINC001440487359 1093722107 /nfs/dbraw/zinc/72/21/07/1093722107.db2.gz DERQDXMFLHVZFA-APWZRJJASA-N 2 0 345.487 2.129 10 0 EEAERP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001440535848 1093799908 /nfs/dbraw/zinc/79/99/08/1093799908.db2.gz CFKZVNZMPJAROW-KRWDZBQOSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001448777363 1093856858 /nfs/dbraw/zinc/85/68/58/1093856858.db2.gz OHISNOJBBXGOFA-VQIMIIECSA-N 2 0 346.519 2.447 10 0 EEAERP Cc1nc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)sc1C ZINC001448778275 1093857134 /nfs/dbraw/zinc/85/71/34/1093857134.db2.gz VMXDSFPKLPGWBH-SWLSCSKDSA-N 2 0 338.521 2.038 10 0 EEAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001440665219 1093932232 /nfs/dbraw/zinc/93/22/32/1093932232.db2.gz RXWIKNDZXBHGPF-KSSFIOAISA-N 2 0 348.491 2.374 10 0 EEAERP C[C@@H]1[C@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)CCC[NH+](C)C ZINC001448976949 1093981090 /nfs/dbraw/zinc/98/10/90/1093981090.db2.gz HKRUEKKQCKVKCF-CXAGYDPISA-N 2 0 339.430 2.386 10 0 EEAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2nc(C)c(C)s2)C1)[NH+](C)C ZINC001440759247 1094000722 /nfs/dbraw/zinc/00/07/22/1094000722.db2.gz FLARDUWTIUTMMA-NRXISQOPSA-N 2 0 338.521 2.085 10 0 EEAERP CC[NH2+][C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1 ZINC001449028509 1094036465 /nfs/dbraw/zinc/03/64/65/1094036465.db2.gz KPSXJXWWSBFASY-OALUTQOASA-N 2 0 329.488 2.055 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)o1 ZINC001449066434 1094082309 /nfs/dbraw/zinc/08/23/09/1094082309.db2.gz SCLLFELVCCHZQM-HOTGVXAUSA-N 2 0 336.480 2.006 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C2)C1 ZINC001449078095 1094092358 /nfs/dbraw/zinc/09/23/58/1094092358.db2.gz AXAURAJJAOZQME-OLZOCXBDSA-N 2 0 335.414 2.107 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cn1 ZINC001440859489 1094121127 /nfs/dbraw/zinc/12/11/27/1094121127.db2.gz OZHDBLYJQJTZIT-KLAILNCOSA-N 2 0 347.507 2.157 10 0 EEAERP Cc1ccc(F)cc1C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001440964801 1094222202 /nfs/dbraw/zinc/22/22/02/1094222202.db2.gz ANGYOFZJZHBDII-GOEBONIOSA-N 2 0 335.467 2.412 10 0 EEAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001449311102 1094264734 /nfs/dbraw/zinc/26/47/34/1094264734.db2.gz SAQRJBQZPIKGLI-HUUCEWRRSA-N 2 0 327.488 2.483 10 0 EEAERP COc1cccc(C[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)c1C ZINC001449381872 1094353787 /nfs/dbraw/zinc/35/37/87/1094353787.db2.gz AOBSKYGLDPDKJN-UHFFFAOYSA-N 2 0 333.476 2.034 10 0 EEAERP CC[C@H](F)C[NH+]1CCC(C2(NC(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001449411715 1094395472 /nfs/dbraw/zinc/39/54/72/1094395472.db2.gz QNSQVAYXJIPVRF-INIZCTEOSA-N 2 0 327.488 2.437 10 0 EEAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001441176631 1094530466 /nfs/dbraw/zinc/53/04/66/1094530466.db2.gz IJNMXHNEMBRDAN-ZDUSSCGKSA-N 2 0 331.451 2.200 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001441375162 1094908074 /nfs/dbraw/zinc/90/80/74/1094908074.db2.gz HUZLCTRGRXNLJU-SAABIXHNSA-N 2 0 342.487 2.494 10 0 EEAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCc1cccs1 ZINC001441571596 1095342896 /nfs/dbraw/zinc/34/28/96/1095342896.db2.gz URBANIPPALBEDC-PMPSAXMXSA-N 2 0 337.533 2.457 10 0 EEAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001441597330 1095439156 /nfs/dbraw/zinc/43/91/56/1095439156.db2.gz UCNLIOXNBDREQN-HZPDHXFCSA-N 2 0 339.524 2.112 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC001441603658 1095454770 /nfs/dbraw/zinc/45/47/70/1095454770.db2.gz GNIKUATWTMQOQD-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP O=C(NC1CCC([NH2+]C/C(Cl)=C/Cl)CC1)C12CC[NH+](CC1)C2 ZINC001441759791 1095756893 /nfs/dbraw/zinc/75/68/93/1095756893.db2.gz QPVMYWMAICNBAJ-XFXZXTDPSA-N 2 0 346.302 2.418 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@H]1C ZINC001441832930 1095893802 /nfs/dbraw/zinc/89/38/02/1095893802.db2.gz JEDSBPXNFQKKAQ-CZUORRHYSA-N 2 0 339.430 2.384 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC001441925054 1096109995 /nfs/dbraw/zinc/10/99/95/1096109995.db2.gz AZTUYEXGBWFKMV-IRXDYDNUSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001442158712 1096414382 /nfs/dbraw/zinc/41/43/82/1096414382.db2.gz XLORHUGLZRUESB-MSOLQXFVSA-N 2 0 346.519 2.495 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C)o1 ZINC001442160052 1096417602 /nfs/dbraw/zinc/41/76/02/1096417602.db2.gz YWJLCJWICQQWNE-CVEARBPZSA-N 2 0 336.480 2.088 10 0 EEAERP CO[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001442217590 1096511060 /nfs/dbraw/zinc/51/10/60/1096511060.db2.gz PYUOTLFAOYULED-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001442222218 1096517565 /nfs/dbraw/zinc/51/75/65/1096517565.db2.gz UMIHUGITFFFHQD-HOCLYGCPSA-N 2 0 348.491 2.042 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001442337328 1096658743 /nfs/dbraw/zinc/65/87/43/1096658743.db2.gz RKXHPSQVZJDCLJ-AEFFLSMTSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1nsc(C)c1C[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001442866703 1097259492 /nfs/dbraw/zinc/25/94/92/1097259492.db2.gz AKUUMHIBWMXVLX-OAHLLOKOSA-N 2 0 338.521 2.040 10 0 EEAERP Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001443276052 1097761337 /nfs/dbraw/zinc/76/13/37/1097761337.db2.gz VPSAZYBOTVTMKN-IBGZPJMESA-N 2 0 329.488 2.419 10 0 EEAERP Cc1oncc1C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001479500167 1098567145 /nfs/dbraw/zinc/56/71/45/1098567145.db2.gz DDPNHAVYJRSLJW-OAHLLOKOSA-N 2 0 348.491 2.138 10 0 EEAERP Cc1cncc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)c1 ZINC001444160824 1098708570 /nfs/dbraw/zinc/70/85/70/1098708570.db2.gz KQZCNCYUYYEPIR-XLIONFOSSA-N 2 0 346.519 2.496 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)[NH+](C)C ZINC001444170340 1098720163 /nfs/dbraw/zinc/72/01/63/1098720163.db2.gz PTJOWMDROHENHH-DZKIICNBSA-N 2 0 338.521 2.246 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC001479738324 1098851976 /nfs/dbraw/zinc/85/19/76/1098851976.db2.gz FSTJCWQUOVFVJC-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)C[C@H]1CCCOC1 ZINC001479739467 1098854199 /nfs/dbraw/zinc/85/41/99/1098854199.db2.gz YLDAZEFDCRLSBF-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCc2sc(C[NH2+]CC(C)C)nc2C1 ZINC001479741693 1098863649 /nfs/dbraw/zinc/86/36/49/1098863649.db2.gz GBQKZRHCARPXPW-UHFFFAOYSA-N 2 0 338.521 2.115 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]Cc1nc2ccccc2o1 ZINC001444330218 1098895288 /nfs/dbraw/zinc/89/52/88/1098895288.db2.gz WQOWTHJILITPLH-GDBMZVCRSA-N 2 0 344.459 2.154 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)c(Cl)c1 ZINC001444382280 1098966148 /nfs/dbraw/zinc/96/61/48/1098966148.db2.gz NCBDBIZBZSFINR-AWEZNQCLSA-N 2 0 325.884 2.442 10 0 EEAERP CCn1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001444382716 1098968124 /nfs/dbraw/zinc/96/81/24/1098968124.db2.gz ULVBAFGKAJKNPV-AEFFLSMTSA-N 2 0 349.523 2.008 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001444391717 1098984996 /nfs/dbraw/zinc/98/49/96/1098984996.db2.gz RGCCZIFBCPPQLT-HOTGVXAUSA-N 2 0 335.467 2.318 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001444408124 1099015221 /nfs/dbraw/zinc/01/52/21/1099015221.db2.gz OIKCZMVIRQVZQK-CYBMUJFWSA-N 2 0 341.858 2.417 10 0 EEAERP CC[C@H](C(=O)NC[C@H]1C[N@H+](CC2CCCC2)CCO1)[NH+](CC)CC ZINC001444440043 1099072500 /nfs/dbraw/zinc/07/25/00/1099072500.db2.gz DMIHYWQSKDFBDQ-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCCCC2)CCO1)[NH+](C)C ZINC001444443410 1099081162 /nfs/dbraw/zinc/08/11/62/1099081162.db2.gz KOLCJZYZQOZNBT-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001479833297 1099115843 /nfs/dbraw/zinc/11/58/43/1099115843.db2.gz ZPBVJAQQNBYQRS-CJNGLKHVSA-N 2 0 338.521 2.262 10 0 EEAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1F ZINC001479859198 1099165077 /nfs/dbraw/zinc/16/50/77/1099165077.db2.gz ACTCJNKSSUTSPE-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1cccnc1)C1CC1 ZINC001479881316 1099250756 /nfs/dbraw/zinc/25/07/56/1099250756.db2.gz ZRPAUGGYPGJWBC-LJQANCHMSA-N 2 0 344.503 2.427 10 0 EEAERP CC[C@@H](F)C[NH+]1CC2(C1)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2 ZINC001444565222 1099372734 /nfs/dbraw/zinc/37/27/34/1099372734.db2.gz CUGLQEZPYQPQNQ-HZPDHXFCSA-N 2 0 345.478 2.339 10 0 EEAERP Cc1ncccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189641 1099787769 /nfs/dbraw/zinc/78/77/69/1099787769.db2.gz QBFXMBVVMNSFJZ-OALUTQOASA-N 2 0 344.503 2.155 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001480296532 1100011387 /nfs/dbraw/zinc/01/13/87/1100011387.db2.gz BXTSGNAYHFEVOV-SEJWUHKESA-N 2 0 327.900 2.299 10 0 EEAERP CC[C@H](C(=O)NC1CCC([NH2+]CCC2CCOCC2)CC1)[NH+](C)C ZINC001480404945 1100219527 /nfs/dbraw/zinc/21/95/27/1100219527.db2.gz JAVGKJHTFHDPPM-DAWZGUTISA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cccc(OCC[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001480407765 1100223048 /nfs/dbraw/zinc/22/30/48/1100223048.db2.gz GPSILKKNQLEMLX-UHFFFAOYSA-N 2 0 347.503 2.343 10 0 EEAERP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480462068 1100266765 /nfs/dbraw/zinc/26/67/65/1100266765.db2.gz GINYGDNWUMQFBX-APWZRJJASA-N 2 0 329.488 2.240 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001480463353 1100268298 /nfs/dbraw/zinc/26/82/98/1100268298.db2.gz UEEPZOUMYYYOLH-OUCADQQQSA-N 2 0 341.858 2.414 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1oc(CC)nc1C ZINC001480471137 1100277042 /nfs/dbraw/zinc/27/70/42/1100277042.db2.gz AHQJEBHDHBBPSG-UKRRQHHQSA-N 2 0 336.480 2.014 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cnccc2C)C1 ZINC001480523429 1100353998 /nfs/dbraw/zinc/35/39/98/1100353998.db2.gz YDSWGCLFPNNDID-IRXDYDNUSA-N 2 0 332.492 2.106 10 0 EEAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]Cc2cccnc2)CC1 ZINC001496413020 1101005363 /nfs/dbraw/zinc/00/53/63/1101005363.db2.gz FDWUBVUPOZZVQZ-SFHVURJKSA-N 2 0 344.503 2.284 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)o1 ZINC001496424832 1101016077 /nfs/dbraw/zinc/01/60/77/1101016077.db2.gz ARZROCGTSAKYHD-INIZCTEOSA-N 2 0 336.480 2.184 10 0 EEAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001496561402 1101162237 /nfs/dbraw/zinc/16/22/37/1101162237.db2.gz KMARCNFCVLJTOP-WBVHZDCISA-N 2 0 327.488 2.341 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](Cc2cncs2)CC1 ZINC001495541144 1101257258 /nfs/dbraw/zinc/25/72/58/1101257258.db2.gz UCIODYUPUJOETC-UHFFFAOYSA-N 2 0 338.521 2.202 10 0 EEAERP O=C(N1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C12CCC[NH+](CCC1)C2 ZINC001495567132 1101277867 /nfs/dbraw/zinc/27/78/67/1101277867.db2.gz KACQMIWFZKGJFR-CQSZACIVSA-N 2 0 347.425 2.395 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN(C)Cc2cncs2)C1 ZINC001496766384 1101425354 /nfs/dbraw/zinc/42/53/54/1101425354.db2.gz BOCUSMOHBFVLGG-OAHLLOKOSA-N 2 0 338.521 2.155 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001495785500 1101594395 /nfs/dbraw/zinc/59/43/95/1101594395.db2.gz KMJKUFSYJNKXRH-HUUCEWRRSA-N 2 0 343.462 2.250 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001495785501 1101595023 /nfs/dbraw/zinc/59/50/23/1101595023.db2.gz KMJKUFSYJNKXRH-LSDHHAIUSA-N 2 0 343.462 2.250 10 0 EEAERP CC[C@@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001446959400 1101661152 /nfs/dbraw/zinc/66/11/52/1101661152.db2.gz VAFHOSHKGRRQFD-AVEIZBFRSA-N 2 0 339.499 2.436 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccc2c(c1)COC2)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496094844 1102047250 /nfs/dbraw/zinc/04/72/50/1102047250.db2.gz MUARKIQGLPKKEX-HNAYVOBHSA-N 2 0 345.487 2.138 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001497297230 1102274508 /nfs/dbraw/zinc/27/45/08/1102274508.db2.gz CCBZPQJTZPWWSL-WMZOPIPTSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001497309030 1102292850 /nfs/dbraw/zinc/29/28/50/1102292850.db2.gz XKBUJRJCJPSEBQ-MAUKXSAKSA-N 2 0 327.472 2.254 10 0 EEAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001497406519 1102440849 /nfs/dbraw/zinc/44/08/49/1102440849.db2.gz BXYYDVFXWUIGFM-UHFFFAOYSA-N 2 0 348.491 2.106 10 0 EEAERP CCc1cnc(CN2CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2)o1 ZINC001447322693 1102445226 /nfs/dbraw/zinc/44/52/26/1102445226.db2.gz SSLJKJCDARXCOW-GOEBONIOSA-N 2 0 336.480 2.048 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1ccc(F)cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC001497580493 1102695197 /nfs/dbraw/zinc/69/51/97/1102695197.db2.gz WEHVAFNPUFIQLR-YYZONTRBSA-N 2 0 349.425 2.069 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001497620869 1102762265 /nfs/dbraw/zinc/76/22/65/1102762265.db2.gz MIOPXKFNTZVOMM-CWDCEQMOSA-N 2 0 343.462 2.414 10 0 EEAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001497749148 1103015327 /nfs/dbraw/zinc/01/53/27/1103015327.db2.gz DMYAUFDPPXXURX-JXCVUKRWSA-N 2 0 341.499 2.149 10 0 EEAERP C[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001494046284 1103421456 /nfs/dbraw/zinc/42/14/56/1103421456.db2.gz BSVVKJSSZHXFQK-INIZCTEOSA-N 2 0 327.488 2.296 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2cc(C)ns2)C1 ZINC001494171332 1103637540 /nfs/dbraw/zinc/63/75/40/1103637540.db2.gz VYRITGYYOFCRRV-HNNXBMFYSA-N 2 0 338.521 2.074 10 0 EEAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCc1ccsc1 ZINC001448015713 1103806842 /nfs/dbraw/zinc/80/68/42/1103806842.db2.gz NKXQAJRXMZNOEU-QAPCUYQASA-N 2 0 349.544 2.459 10 0 EEAERP CC[C@H](C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1)OC ZINC001448225185 1104211081 /nfs/dbraw/zinc/21/10/81/1104211081.db2.gz MIAVXHKGQPMZSE-DLBZAZTESA-N 2 0 339.524 2.162 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001494666663 1104253284 /nfs/dbraw/zinc/25/32/84/1104253284.db2.gz ITYCPEUBZXUSFT-KKUMJFAQSA-N 2 0 329.435 2.049 10 0 EEAERP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001494810096 1104401789 /nfs/dbraw/zinc/40/17/89/1104401789.db2.gz YQTWLILQVVLBLQ-IEBWSBKVSA-N 2 0 345.487 2.082 10 0 EEAERP COc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001494877772 1104488329 /nfs/dbraw/zinc/48/83/29/1104488329.db2.gz XPCFBEOGEJOTIY-GOSISDBHSA-N 2 0 347.503 2.111 10 0 EEAERP CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)(c2ccccc2)CC1 ZINC001449495562 1104559396 /nfs/dbraw/zinc/55/93/96/1104559396.db2.gz DNTNSYZRPWDQSZ-BWTSREIZSA-N 2 0 341.499 2.059 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001480598036 1106737061 /nfs/dbraw/zinc/73/70/61/1106737061.db2.gz XZBMIZLJOZTRNW-IRXDYDNUSA-N 2 0 331.504 2.226 10 0 EEAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccnc2C)C1)[NH+](CC)CC ZINC001480664245 1106842927 /nfs/dbraw/zinc/84/29/27/1106842927.db2.gz WSWJHNBNDOWVQP-HKUYNNGSSA-N 2 0 346.519 2.449 10 0 EEAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498143638 1106980480 /nfs/dbraw/zinc/98/04/80/1106980480.db2.gz UYDSWKQCCZKHFR-QFBILLFUSA-N 2 0 347.503 2.415 10 0 EEAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)COC2CC[NH+](C)CC2)c1 ZINC001498147809 1106986528 /nfs/dbraw/zinc/98/65/28/1106986528.db2.gz IVPHGUGBCARZSP-KRWDZBQOSA-N 2 0 347.503 2.009 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH+](C)CCOCC)C2)C1 ZINC001480733502 1107001928 /nfs/dbraw/zinc/00/19/28/1107001928.db2.gz NGHWUCFGEBVGLJ-ROUUACIJSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001480789010 1107120657 /nfs/dbraw/zinc/12/06/57/1107120657.db2.gz AAXFGBXYVVEWTJ-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)n1 ZINC001498313823 1107273802 /nfs/dbraw/zinc/27/38/02/1107273802.db2.gz OLKOIOKFPVLQKE-HNNXBMFYSA-N 2 0 332.492 2.119 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(C)o1 ZINC001498490643 1107626805 /nfs/dbraw/zinc/62/68/05/1107626805.db2.gz ORZPFUZCRALYEK-JKSUJKDBSA-N 2 0 336.480 2.008 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001498611851 1107807204 /nfs/dbraw/zinc/80/72/04/1107807204.db2.gz CFIXXACGJJWAKG-OPUMOTSWSA-N 2 0 329.488 2.480 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270048 1107821283 /nfs/dbraw/zinc/82/12/83/1107821283.db2.gz ZZONNCIYMSJLEB-LSDHHAIUSA-N 2 0 349.441 2.497 10 0 EEAERP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C[C@H]1CCOC1 ZINC001493316600 1107920599 /nfs/dbraw/zinc/92/05/99/1107920599.db2.gz ODOQUPDNFCFBGQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCc1ccc(CC[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001499066013 1108528250 /nfs/dbraw/zinc/52/82/50/1108528250.db2.gz AVQCMTHRBMBZLF-PXNSSMCTSA-N 2 0 343.515 2.324 10 0 EEAERP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCSC1 ZINC001457681038 1109727912 /nfs/dbraw/zinc/72/79/12/1109727912.db2.gz LYURKLCKJWWFKY-JENIJYKNSA-N 2 0 347.528 2.233 10 0 EEAERP CCCCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001499538679 1112352609 /nfs/dbraw/zinc/35/26/09/1112352609.db2.gz KDYXDNHDUBTZNW-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP CCCCOCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001499619853 1112416190 /nfs/dbraw/zinc/41/61/90/1112416190.db2.gz QIHCYQLUZBPCSW-LJQANCHMSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001499844652 1112509682 /nfs/dbraw/zinc/50/96/82/1112509682.db2.gz PAJKQNJMHZEPFU-UONOGXRCSA-N 2 0 339.430 2.386 10 0 EEAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CCc2cccs2)CC1 ZINC001500006289 1112576548 /nfs/dbraw/zinc/57/65/48/1112576548.db2.gz CCOMORMXVLQQJT-UHFFFAOYSA-N 2 0 335.517 2.357 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCF)CC2)CC[N@@H+]1C ZINC001501186552 1113233495 /nfs/dbraw/zinc/23/34/95/1113233495.db2.gz NGHLFECRHLMIKK-QAETUUGQSA-N 2 0 327.488 2.198 10 0 EEAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCC2)CC1 ZINC001501995013 1113550942 /nfs/dbraw/zinc/55/09/42/1113550942.db2.gz SEURXCWPGNXADG-ZACQAIPSSA-N 2 0 333.520 2.393 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001502795462 1113803027 /nfs/dbraw/zinc/80/30/27/1113803027.db2.gz MRDHITUHESGODG-UHFFFAOYSA-N 2 0 348.491 2.365 10 0 EEAERP CCC[NH2+]CC1(O)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001502892072 1113844408 /nfs/dbraw/zinc/84/44/08/1113844408.db2.gz AKWCQXMGRMLSIO-SFHVURJKSA-N 2 0 347.503 2.033 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001566072218 1113918883 /nfs/dbraw/zinc/91/88/83/1113918883.db2.gz XDRQLQVLMPLDIV-KRWDZBQOSA-N 2 0 339.524 2.258 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001505517176 1114032523 /nfs/dbraw/zinc/03/25/23/1114032523.db2.gz ZUDLTMAOTRFJKP-OTTFEQOBSA-N 2 0 336.307 2.006 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001505517175 1114032581 /nfs/dbraw/zinc/03/25/81/1114032581.db2.gz ZUDLTMAOTRFJKP-CPCZMJQVSA-N 2 0 336.307 2.006 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001505622194 1114091425 /nfs/dbraw/zinc/09/14/25/1114091425.db2.gz QTTYBAKSBLFWAY-RYUDHWBXSA-N 2 0 338.521 2.227 10 0 EEAERP Cc1ncoc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001505760639 1114174530 /nfs/dbraw/zinc/17/45/30/1114174530.db2.gz NPMDEECPUNHHJW-KGLIPLIRSA-N 2 0 344.459 2.341 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1C ZINC001505931084 1114285690 /nfs/dbraw/zinc/28/56/90/1114285690.db2.gz UAYLFTMFUGZQBX-QAPCUYQASA-N 2 0 332.492 2.201 10 0 EEAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C[C@H]1CCC(F)(F)C1 ZINC001505935256 1114288238 /nfs/dbraw/zinc/28/82/38/1114288238.db2.gz DKPAKOMKIOPJHJ-KBPBESRZSA-N 2 0 331.451 2.343 10 0 EEAERP C[C@H]1CC[C@H](C[NH2+]CC2(NC(=O)C34CC[NH+](CC3)C4)CCCCC2)O1 ZINC001506523411 1114672156 /nfs/dbraw/zinc/67/21/56/1114672156.db2.gz VNTHJAOVQNUYNT-DLBZAZTESA-N 2 0 349.519 2.058 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C/C=C\Cl)C[C@@H]3C2)CC1 ZINC001506851667 1114914888 /nfs/dbraw/zinc/91/48/88/1114914888.db2.gz FGFHFYJKRSRFME-XCTPRIKFSA-N 2 0 339.911 2.297 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3nocc3C)C[C@H]2C1 ZINC001506856764 1114922126 /nfs/dbraw/zinc/92/21/26/1114922126.db2.gz MGPPGTXZGCDQPP-BRWVUGGUSA-N 2 0 348.491 2.042 10 0 EEAERP CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCCOC)C2)[NH+](CC)CC ZINC001506864599 1114932535 /nfs/dbraw/zinc/93/25/35/1114932535.db2.gz IZDLDSHGIXYQOL-QGZVFWFLSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001506865144 1114933845 /nfs/dbraw/zinc/93/38/45/1114933845.db2.gz IMQFKPXKIYMBDN-UHFFFAOYSA-N 2 0 325.472 2.146 10 0 EEAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C(Cl)=C/Cl ZINC001506992877 1115038177 /nfs/dbraw/zinc/03/81/77/1115038177.db2.gz URAQOTZJQLUVHK-LRZCHELBSA-N 2 0 336.307 2.378 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccccn2)C1 ZINC001507111707 1115114185 /nfs/dbraw/zinc/11/41/85/1115114185.db2.gz DYLLGKJZUIAQCT-IRXDYDNUSA-N 2 0 332.492 2.140 10 0 EEAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001507118769 1115117526 /nfs/dbraw/zinc/11/75/26/1115117526.db2.gz QDIINWOCXSLVNI-WBMJQRKESA-N 2 0 339.430 2.340 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@@H]1C ZINC001507299296 1115180348 /nfs/dbraw/zinc/18/03/48/1115180348.db2.gz UURSQFBCUVAXAO-PKOBYXMFSA-N 2 0 347.503 2.375 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)C[C@@H]1C ZINC001507329483 1115195857 /nfs/dbraw/zinc/19/58/57/1115195857.db2.gz VJWOOWIFUJLSJJ-MAUKXSAKSA-N 2 0 332.492 2.119 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@H+](CCCF)CC2 ZINC001507346303 1115209004 /nfs/dbraw/zinc/20/90/04/1115209004.db2.gz UDMPKDKNWPKDIF-ZOBUZTSGSA-N 2 0 331.451 2.139 10 0 EEAERP Cc1ncoc1C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001507354761 1115217341 /nfs/dbraw/zinc/21/73/41/1115217341.db2.gz JDQIYUVQKYLJLQ-PKOBYXMFSA-N 2 0 346.475 2.081 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001507425715 1115262215 /nfs/dbraw/zinc/26/22/15/1115262215.db2.gz CYNZFLNCORDNDG-HZPDHXFCSA-N 2 0 335.517 2.261 10 0 EEAERP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCC(F)(F)F ZINC001507434315 1115267176 /nfs/dbraw/zinc/26/71/76/1115267176.db2.gz UOMHPCHBTUWLDF-UONOGXRCSA-N 2 0 347.425 2.107 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC001507450432 1115276511 /nfs/dbraw/zinc/27/65/11/1115276511.db2.gz FOEJEBVDZPZAGL-SFHVURJKSA-N 2 0 346.519 2.449 10 0 EEAERP COC[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001507801777 1115349429 /nfs/dbraw/zinc/34/94/29/1115349429.db2.gz KCMVLFIQNRPDSE-IRXDYDNUSA-N 2 0 327.513 2.063 10 0 EEAERP Cc1cc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)sn1 ZINC001508031418 1115394823 /nfs/dbraw/zinc/39/48/23/1115394823.db2.gz XGDVDBLXXLMUDQ-OAHLLOKOSA-N 2 0 338.521 2.168 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508033722 1115396484 /nfs/dbraw/zinc/39/64/84/1115396484.db2.gz BJXDUXXBMHOKHO-CVEARBPZSA-N 2 0 341.540 2.262 10 0 EEAERP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001568085352 1124290284 /nfs/dbraw/zinc/29/02/84/1124290284.db2.gz YLJUBQVCBAZXJU-BFYDXBDKSA-N 2 0 327.488 2.293 10 0 EEAERP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001568149874 1124326883 /nfs/dbraw/zinc/32/68/83/1124326883.db2.gz CVTKSQOYYODCKQ-LJQANCHMSA-N 2 0 333.520 2.489 10 0 EEAERP CCCCOCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001568253073 1124387450 /nfs/dbraw/zinc/38/74/50/1124387450.db2.gz WQNOMRFPHHKQNG-KRWDZBQOSA-N 2 0 339.524 2.068 10 0 EEAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001568544955 1124604275 /nfs/dbraw/zinc/60/42/75/1124604275.db2.gz JYPVBWQPBJUJAG-PKOBYXMFSA-N 2 0 345.487 2.036 10 0 EEAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568642887 1124655435 /nfs/dbraw/zinc/65/54/35/1124655435.db2.gz UAVCULCMFWCQEP-YJBOKZPZSA-N 2 0 332.492 2.249 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccon1)[NH+]1CCCCC1 ZINC001568714158 1124730799 /nfs/dbraw/zinc/73/07/99/1124730799.db2.gz PMAMZDSEOFLYJA-RDJZCZTQSA-N 2 0 336.480 2.170 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001568900241 1124927746 /nfs/dbraw/zinc/92/77/46/1124927746.db2.gz MHIGQPLNYYXBAZ-WOMSROEHSA-N 2 0 339.842 2.335 10 0 EEAERP COCc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001569214758 1125171177 /nfs/dbraw/zinc/17/11/77/1125171177.db2.gz QAZDQUBQANBHKO-IBGZPJMESA-N 2 0 347.503 2.255 10 0 EEAERP CN([C@@H](C[NH3+])c1ccccc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000053205461 214170525 /nfs/dbraw/zinc/17/05/25/214170525.db2.gz AGLSNUNFRXGWOB-DOMZBBRYSA-N 2 0 326.282 2.475 10 0 EEAERP CN(CC[NH2+]CCC[NH+](C)C)Cc1cc(Br)cs1 ZINC000053429585 214182282 /nfs/dbraw/zinc/18/22/82/214182282.db2.gz GWIUCQDBZFQZEJ-UHFFFAOYSA-N 2 0 334.327 2.484 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245938723 282971255 /nfs/dbraw/zinc/97/12/55/282971255.db2.gz ULLDJNUIIRAQLM-KZNAEPCWSA-N 2 0 344.503 2.127 10 0 EEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179468269 233068651 /nfs/dbraw/zinc/06/86/51/233068651.db2.gz AEWPWGGFLQLFID-NXWXRZEISA-N 2 0 342.487 2.310 10 0 EEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000105862625 219565524 /nfs/dbraw/zinc/56/55/24/219565524.db2.gz XRKJUAPGUYDVQS-UGSOOPFHSA-N 2 0 342.430 2.023 10 0 EEAERP Cc1ccccc1C[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422895112 240278626 /nfs/dbraw/zinc/27/86/26/240278626.db2.gz DYWCOAIUJHJCHJ-LEWJYISDSA-N 2 0 343.515 2.316 10 0 EEAERP CC[NH+]1CCN(c2ccccc2N[C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422922881 240292448 /nfs/dbraw/zinc/29/24/48/240292448.db2.gz RBXYOOZZIHEZJX-SJORKVTESA-N 2 0 332.492 2.007 10 0 EEAERP CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000447389402 242271876 /nfs/dbraw/zinc/27/18/76/242271876.db2.gz ZCMQAOJBZDPRGO-IBGZPJMESA-N 2 0 337.508 2.011 10 0 EEAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000079653707 217246695 /nfs/dbraw/zinc/24/66/95/217246695.db2.gz TXJOCUAPTFLZBG-PBHICJAKSA-N 2 0 338.471 2.458 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000174534427 285270395 /nfs/dbraw/zinc/27/03/95/285270395.db2.gz KILPJTQBNXRVDL-SFHVURJKSA-N 2 0 329.488 2.251 10 0 EEAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000344675175 152816506 /nfs/dbraw/zinc/81/65/06/152816506.db2.gz QYIKIQQIICPBDK-UHFFFAOYSA-N 2 0 328.460 2.402 10 0 EEAERP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(c2c[nH]cn2)CC1 ZINC000374213789 154006804 /nfs/dbraw/zinc/00/68/04/154006804.db2.gz VXUHGOLMYADIIX-LBPRGKRZSA-N 2 0 342.399 2.345 10 0 EEAERP CC[NH+]1CCN(CC(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000128792887 292347684 /nfs/dbraw/zinc/34/76/84/292347684.db2.gz JMAVVDJBJFKORT-UHFFFAOYSA-N 2 0 344.503 2.167 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H](C)C(=O)OC)CC1 ZINC000091986023 159212015 /nfs/dbraw/zinc/21/20/15/159212015.db2.gz UBCPSWLXKOSDGX-KRWDZBQOSA-N 2 0 347.503 2.460 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2OC)CC1 ZINC000341801654 161014726 /nfs/dbraw/zinc/01/47/26/161014726.db2.gz XQZYSFNIOSMAPD-GOSISDBHSA-N 2 0 345.487 2.214 10 0 EEAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373470843 166896752 /nfs/dbraw/zinc/89/67/52/166896752.db2.gz ULODACGBIXJASQ-WWDZGPRUSA-N 2 0 336.524 2.377 10 0 EEAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246968989 292621912 /nfs/dbraw/zinc/62/19/12/292621912.db2.gz JBSFFVWYFGIALB-GBESFXJTSA-N 2 0 346.519 2.331 10 0 EEAERP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000274851416 269063256 /nfs/dbraw/zinc/06/32/56/269063256.db2.gz WVPZALYCMUNTGG-SFHVURJKSA-N 2 0 345.491 2.044 10 0 EEAERP C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1C[NH2+]C1 ZINC000422867872 274244408 /nfs/dbraw/zinc/24/44/08/274244408.db2.gz TZOISXKUUAGANL-LLVKDONJSA-N 2 0 328.382 2.267 10 0 EEAERP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc2c1OCCO2 ZINC000278461340 274358695 /nfs/dbraw/zinc/35/86/95/274358695.db2.gz FADDVJOYDJPUPG-UHFFFAOYSA-N 2 0 332.444 2.430 10 0 EEAERP CN(C)c1cc[nH+]cc1CNCc1ccncc1OCCC[NH+](C)C ZINC000288621006 275076838 /nfs/dbraw/zinc/07/68/38/275076838.db2.gz RSBOEFISMPOHKM-UHFFFAOYSA-N 2 0 343.475 2.163 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(C)nc3ccccn3c2=O)[C@H](C)C1 ZINC000289397602 275113601 /nfs/dbraw/zinc/11/36/01/275113601.db2.gz RYZSHXFHPHUFAY-CRAIPNDOSA-N 2 0 342.487 2.208 10 0 EEAERP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000289654467 275136116 /nfs/dbraw/zinc/13/61/16/275136116.db2.gz COOAYNNBJSTAQF-LJQANCHMSA-N 2 0 349.519 2.156 10 0 EEAERP C[N@H+](CCN1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)Cc1ccccc1 ZINC000290277645 275194445 /nfs/dbraw/zinc/19/44/45/275194445.db2.gz LZQGKJJTRVCNGH-LJQANCHMSA-N 2 0 333.520 2.143 10 0 EEAERP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072430579 276004004 /nfs/dbraw/zinc/00/40/04/276004004.db2.gz JZDHDUPDDSEVCI-GOSISDBHSA-N 2 0 345.487 2.205 10 0 EEAERP CCOC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915697 276277088 /nfs/dbraw/zinc/27/70/88/276277088.db2.gz PEJQBJYDXUDHRD-LJQANCHMSA-N 2 0 348.487 2.317 10 0 EEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000173669065 281189673 /nfs/dbraw/zinc/18/96/73/281189673.db2.gz QLWHLWDPGBVWIJ-ZWKOTPCHSA-N 2 0 336.524 2.375 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349788117 289279955 /nfs/dbraw/zinc/27/99/55/289279955.db2.gz WPXAMYVNOMLZBU-ROUUACIJSA-N 2 0 330.476 2.167 10 0 EEAERP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333128554 312097255 /nfs/dbraw/zinc/09/72/55/312097255.db2.gz JHMIUDSHSPMUEA-AEFFLSMTSA-N 2 0 339.439 2.141 10 0 EEAERP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000333604522 312172333 /nfs/dbraw/zinc/17/23/33/312172333.db2.gz PWWKQMJBOYSABP-IHRRRGAJSA-N 2 0 334.489 2.469 10 0 EEAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000416808213 313321405 /nfs/dbraw/zinc/32/14/05/313321405.db2.gz HVGYFHWYRWLVBQ-BZUAXINKSA-N 2 0 334.464 2.104 10 0 EEAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416977586 313380151 /nfs/dbraw/zinc/38/01/51/313380151.db2.gz CNFPZURFLAVLBB-MOPGFXCFSA-N 2 0 342.487 2.176 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccco1 ZINC000417311758 313480709 /nfs/dbraw/zinc/48/07/09/313480709.db2.gz MNJQLRYPBPAPMC-BBWFWOEESA-N 2 0 348.491 2.304 10 0 EEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000417636372 313552721 /nfs/dbraw/zinc/55/27/21/313552721.db2.gz XRRIALPOPSQUNB-HLLBOEOZSA-N 2 0 332.492 2.413 10 0 EEAERP CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000418203756 313747698 /nfs/dbraw/zinc/74/76/98/313747698.db2.gz KOIDYOSXQQKZKH-ZQIUZPCESA-N 2 0 336.480 2.111 10 0 EEAERP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+](C)C)cc1 ZINC000418208532 313749126 /nfs/dbraw/zinc/74/91/26/313749126.db2.gz QOTSNPZCKCTFGE-JCGIZDLHSA-N 2 0 348.491 2.208 10 0 EEAERP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(-c3ccccn3)s2)CC1(C)C ZINC000441343898 315181659 /nfs/dbraw/zinc/18/16/59/315181659.db2.gz HPLBLZCOGJRVBD-UHFFFAOYSA-N 2 0 345.516 2.321 10 0 EEAERP CC(C)Cn1ccnc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527777402 317261265 /nfs/dbraw/zinc/26/12/65/317261265.db2.gz NHSUYELZLBFPTC-INIZCTEOSA-N 2 0 333.480 2.355 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000527809363 317267384 /nfs/dbraw/zinc/26/73/84/317267384.db2.gz BIRNJCKAQMWVDC-UHFFFAOYSA-N 2 0 341.459 2.314 10 0 EEAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3C)cn2)CC1 ZINC000560124972 318765329 /nfs/dbraw/zinc/76/53/29/318765329.db2.gz DUPTYXFDECMVFK-UHFFFAOYSA-N 2 0 325.460 2.217 10 0 EEAERP COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000566122118 319248040 /nfs/dbraw/zinc/24/80/40/319248040.db2.gz XYIMRWJHCQMUSU-GOSISDBHSA-N 2 0 341.411 2.010 10 0 EEAERP [NH3+][C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000567841914 319425098 /nfs/dbraw/zinc/42/50/98/319425098.db2.gz VMUVAPJOGIZYPW-SQNIBIBYSA-N 2 0 327.403 2.169 10 0 EEAERP CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000574762899 320054947 /nfs/dbraw/zinc/05/49/47/320054947.db2.gz AHRPEOALOYLLMU-RBUKOAKNSA-N 2 0 330.472 2.084 10 0 EEAERP C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000575178541 320093658 /nfs/dbraw/zinc/09/36/58/320093658.db2.gz HBTUMDGBMQUTMC-WMLDXEAASA-N 2 0 332.492 2.230 10 0 EEAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000576211245 320150979 /nfs/dbraw/zinc/15/09/79/320150979.db2.gz LHAAGCRAVJRSBN-SFHVURJKSA-N 2 0 330.476 2.081 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000581250026 324214429 /nfs/dbraw/zinc/21/44/29/324214429.db2.gz XPWGRVOQYXVHMN-APWZRJJASA-N 2 0 344.503 2.375 10 0 EEAERP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000581498238 324267164 /nfs/dbraw/zinc/26/71/64/324267164.db2.gz SQDRMXFXJANCIB-CQSZACIVSA-N 2 0 346.475 2.166 10 0 EEAERP CC1CC[NH+](CCCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000581665875 324299680 /nfs/dbraw/zinc/29/96/80/324299680.db2.gz LMDZFZGYLHCZRZ-LJQANCHMSA-N 2 0 344.503 2.376 10 0 EEAERP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)[C@H](C)C1 ZINC000329200749 465265963 /nfs/dbraw/zinc/26/59/63/465265963.db2.gz WKFRNJYENRMREF-MIGQKNRLSA-N 2 0 334.464 2.487 10 0 EEAERP CC[NH+]1CCC(NC(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000075831698 462761327 /nfs/dbraw/zinc/76/13/27/462761327.db2.gz GGJNVVCUSMWIQG-GOSISDBHSA-N 2 0 337.508 2.011 10 0 EEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000122135169 463242349 /nfs/dbraw/zinc/24/23/49/463242349.db2.gz TVOGDBFPUBKHLF-JKSUJKDBSA-N 2 0 333.476 2.264 10 0 EEAERP CCOc1cc2c(cc1C[NH2+]CC1CC[NH+](CCO)CC1)O[C@@H](C)C2 ZINC000069421050 463244655 /nfs/dbraw/zinc/24/46/55/463244655.db2.gz ZIMAVQAEYRCUEM-HNNXBMFYSA-N 2 0 348.487 2.203 10 0 EEAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105141227 463440636 /nfs/dbraw/zinc/44/06/36/463440636.db2.gz DLAAREREQSCRMO-SFHVURJKSA-N 2 0 330.476 2.128 10 0 EEAERP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3nccn3C)CC2)cc1 ZINC000105876165 463484266 /nfs/dbraw/zinc/48/42/66/463484266.db2.gz NHQLGMMFTWKKHA-SFHVURJKSA-N 2 0 343.471 2.423 10 0 EEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073793558 463657020 /nfs/dbraw/zinc/65/70/20/463657020.db2.gz NOVOUQZLNADGNJ-RTBURBONSA-N 2 0 346.519 2.285 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000185316483 463799824 /nfs/dbraw/zinc/79/98/24/463799824.db2.gz ZKXGMAAEKZQZIK-UHFFFAOYSA-N 2 0 346.519 2.287 10 0 EEAERP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261646596 463815103 /nfs/dbraw/zinc/81/51/03/463815103.db2.gz AATCRYHNCXXJQQ-HNNXBMFYSA-N 2 0 331.460 2.365 10 0 EEAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194423166 463860274 /nfs/dbraw/zinc/86/02/74/463860274.db2.gz MNYJGIDMKMCANM-SFHVURJKSA-N 2 0 332.492 2.102 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000262066034 463937555 /nfs/dbraw/zinc/93/75/55/463937555.db2.gz RPZGTTJUGCLPCF-IBGZPJMESA-N 2 0 334.427 2.117 10 0 EEAERP C[C@H]1CCCC[C@H]1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314072 463999860 /nfs/dbraw/zinc/99/98/60/463999860.db2.gz ZJYUAXCPMWWXCA-WZGPROSRSA-N 2 0 329.488 2.356 10 0 EEAERP CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2F)CC1 ZINC000225449850 464161335 /nfs/dbraw/zinc/16/13/35/464161335.db2.gz REBXINXRTVVZDP-UHFFFAOYSA-N 2 0 341.858 2.369 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000173852419 464321942 /nfs/dbraw/zinc/32/19/42/464321942.db2.gz ZEQGMXBZAYFTNN-XMTFNYHQSA-N 2 0 338.540 2.479 10 0 EEAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000264605266 464390799 /nfs/dbraw/zinc/39/07/99/464390799.db2.gz DTNMHRDAOVRTSL-KRWDZBQOSA-N 2 0 327.472 2.497 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247774087 464706022 /nfs/dbraw/zinc/70/60/22/464706022.db2.gz QAZYIQOJHLOIAE-MOPGFXCFSA-N 2 0 331.504 2.396 10 0 EEAERP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CCOc3ccccc32)CCN1C ZINC000348276980 465528152 /nfs/dbraw/zinc/52/81/52/465528152.db2.gz QPIMHEZSKDZBGD-HZPDHXFCSA-N 2 0 331.460 2.217 10 0 EEAERP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)C2)ncn1 ZINC000353425552 465872797 /nfs/dbraw/zinc/87/27/97/465872797.db2.gz YKAWVIXDXDASNW-OKYOBFRVSA-N 2 0 343.519 2.470 10 0 EEAERP C[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000348938058 465882980 /nfs/dbraw/zinc/88/29/80/465882980.db2.gz BWEMEALRFXASCW-QGZVFWFLSA-N 2 0 329.488 2.283 10 0 EEAERP CC(C)C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000348942959 465885283 /nfs/dbraw/zinc/88/52/83/465885283.db2.gz VYUDFPBKZBAXJU-UHFFFAOYSA-N 2 0 329.488 2.235 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](O)CC(C)(C)C ZINC000362687880 465940082 /nfs/dbraw/zinc/94/00/82/465940082.db2.gz XLDRRDVRWDWBOY-SJORKVTESA-N 2 0 341.540 2.048 10 0 EEAERP CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346520353 466107399 /nfs/dbraw/zinc/10/73/99/466107399.db2.gz BKQCUYHEPDYWQG-IRXDYDNUSA-N 2 0 339.549 2.383 10 0 EEAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccco1 ZINC000357549255 466124560 /nfs/dbraw/zinc/12/45/60/466124560.db2.gz UNGWIMWVJAPISL-GOEBONIOSA-N 2 0 334.464 2.198 10 0 EEAERP Cc1cc(C)cc(C[NH+]2CCN(c3ccnc(N(C)C)n3)CC2)c1 ZINC000353767487 466131093 /nfs/dbraw/zinc/13/10/93/466131093.db2.gz LOCHUUGJVPWHND-UHFFFAOYSA-N 2 0 325.460 2.482 10 0 EEAERP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349778992 466236442 /nfs/dbraw/zinc/23/64/42/466236442.db2.gz RVHRQNPWZWKFPG-MSOLQXFVSA-N 2 0 348.466 2.307 10 0 EEAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000349805514 466250276 /nfs/dbraw/zinc/25/02/76/466250276.db2.gz YAIKQQCIDDKKQF-KYHPRHEASA-N 2 0 336.524 2.231 10 0 EEAERP CCOC(=O)C1([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]CC1 ZINC000591570364 468485074 /nfs/dbraw/zinc/48/50/74/468485074.db2.gz GAZMENFVWNXRBO-CQSZACIVSA-N 2 0 343.431 2.001 10 0 EEAERP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597239851 468493183 /nfs/dbraw/zinc/49/31/83/468493183.db2.gz MKODMYSBQSVMIX-SJLPKXTDSA-N 2 0 328.416 2.479 10 0 EEAERP CC1=CC[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000358188744 466526281 /nfs/dbraw/zinc/52/62/81/466526281.db2.gz LOSPBAWGSOXBKB-UHFFFAOYSA-N 2 0 330.476 2.070 10 0 EEAERP CC(C)[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccnc1 ZINC000423381105 466733466 /nfs/dbraw/zinc/73/34/66/466733466.db2.gz HRIWTBRCQZBROA-HUUCEWRRSA-N 2 0 330.398 2.204 10 0 EEAERP CC(C)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCC(C)CC1 ZINC000375137319 466817153 /nfs/dbraw/zinc/81/71/53/466817153.db2.gz YSLPAIXQUUUCMW-GOSISDBHSA-N 2 0 336.524 2.233 10 0 EEAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000417406868 466852597 /nfs/dbraw/zinc/85/25/97/466852597.db2.gz RWERTYYBQFFUHJ-MSOLQXFVSA-N 2 0 330.476 2.032 10 0 EEAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417524921 466877069 /nfs/dbraw/zinc/87/70/69/466877069.db2.gz ACXKGRFWLFOJSX-JZXOWHBKSA-N 2 0 336.524 2.280 10 0 EEAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000417654869 466899403 /nfs/dbraw/zinc/89/94/03/466899403.db2.gz DEZYCUKYNDVLSZ-WMLDXEAASA-N 2 0 336.455 2.204 10 0 EEAERP O=C(NCCC[C@H]1CCC[NH2+]1)c1ccccc1CC1CC[NH2+]CC1 ZINC000417847684 466954868 /nfs/dbraw/zinc/95/48/68/466954868.db2.gz ZLMHXMMVMWPUKP-GOSISDBHSA-N 2 0 329.488 2.491 10 0 EEAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000376918258 466965375 /nfs/dbraw/zinc/96/53/75/466965375.db2.gz NOKDUPPFZWVAQT-AEFFLSMTSA-N 2 0 342.487 2.139 10 0 EEAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000417931496 466990192 /nfs/dbraw/zinc/99/01/92/466990192.db2.gz LIXSXNGOMLFAMR-JDEYZFBPSA-N 2 0 336.524 2.138 10 0 EEAERP C[N@@H+]1CCC[C@H](CNC(=O)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775279 467001582 /nfs/dbraw/zinc/00/15/82/467001582.db2.gz VEIWLERUJJYUHS-IUODEOHRSA-N 2 0 329.366 2.163 10 0 EEAERP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417987971 467012487 /nfs/dbraw/zinc/01/24/87/467012487.db2.gz GSZCQIYFWCSYHU-FZCLSBEQSA-N 2 0 330.476 2.028 10 0 EEAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418700284 467147566 /nfs/dbraw/zinc/14/75/66/467147566.db2.gz FNEYNISGQOQBNK-PBWTXFEYSA-N 2 0 344.503 2.418 10 0 EEAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428541747 467244779 /nfs/dbraw/zinc/24/47/79/467244779.db2.gz CMHVLHNDYSWBAF-INWMFGNUSA-N 2 0 341.293 2.140 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000414303506 467400725 /nfs/dbraw/zinc/40/07/25/467400725.db2.gz LMUUHWBUWVNDFS-ICSRJNTNSA-N 3 0 345.531 2.333 10 0 EEAERP C[N@H+](C[C@@H](O)CNC[C@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000397898072 467445027 /nfs/dbraw/zinc/44/50/27/467445027.db2.gz QYWFSJGZMQVPPB-PMACEKPBSA-N 2 0 331.504 2.086 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414945134 467455625 /nfs/dbraw/zinc/45/56/25/467455625.db2.gz QZJYKBWJBNHXCG-VQIMIIECSA-N 3 0 330.520 2.305 10 0 EEAERP Cc1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000415204479 467517669 /nfs/dbraw/zinc/51/76/69/467517669.db2.gz ODKWUJMXMCIRNR-INIZCTEOSA-N 2 0 346.475 2.294 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000449361566 467633556 /nfs/dbraw/zinc/63/35/56/467633556.db2.gz KZTGYNCESHUTKN-IBGZPJMESA-N 2 0 340.402 2.408 10 0 EEAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000529353792 467851643 /nfs/dbraw/zinc/85/16/43/467851643.db2.gz ARLPTADJNRJURF-QGZVFWFLSA-N 2 0 334.508 2.179 10 0 EEAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000482722994 468007368 /nfs/dbraw/zinc/00/73/68/468007368.db2.gz LROXECZURCHGSJ-KRWDZBQOSA-N 2 0 326.529 2.480 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000516633218 468038766 /nfs/dbraw/zinc/03/87/66/468038766.db2.gz IXXNMFIVJDTXOV-MRXNPFEDSA-N 2 0 345.491 2.141 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582895004 468612564 /nfs/dbraw/zinc/61/25/64/468612564.db2.gz WDEAVVUUEVVGQO-YLJYHZDGSA-N 2 0 344.503 2.292 10 0 EEAERP CC1(C)OCC[C@H]1[NH2+]Cc1cncc(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000583422465 468693785 /nfs/dbraw/zinc/69/37/85/468693785.db2.gz MVVHLDMXPQDYRQ-IAGOWNOFSA-N 2 0 333.476 2.396 10 0 EEAERP COC(=O)c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n2c1CCCC2 ZINC000598638996 468941785 /nfs/dbraw/zinc/94/17/85/468941785.db2.gz FVGZSUIBMHQTRV-HUUCEWRRSA-N 2 0 331.460 2.327 10 0 EEAERP c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc4n3CCC4)C1)C[NH2+]CC2 ZINC000572728166 468982834 /nfs/dbraw/zinc/98/28/34/468982834.db2.gz BYACXCLUMTXWJT-QGZVFWFLSA-N 2 0 337.471 2.250 10 0 EEAERP COC(=O)c1cnc([C@@H]2CCCN(C[C@H]([NH3+])CC(C)C)C2)s1 ZINC000596106352 469157219 /nfs/dbraw/zinc/15/72/19/469157219.db2.gz OYBITSYQTARROC-CHWSQXEVSA-N 2 0 325.478 2.483 10 0 EEAERP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)CC1 ZINC000615315931 469216837 /nfs/dbraw/zinc/21/68/37/469216837.db2.gz VBROINVOTJQRCW-QAPCUYQASA-N 2 0 330.476 2.157 10 0 EEAERP COC(=O)[C@H]1CC12CC[NH+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000612397639 469455664 /nfs/dbraw/zinc/45/56/64/469455664.db2.gz MMLMPYSFZUOTGL-QGZVFWFLSA-N 2 0 340.427 2.351 10 0 EEAERP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000629524460 469573238 /nfs/dbraw/zinc/57/32/38/469573238.db2.gz MKOYODOBZUVXRE-SLFFLAALSA-N 2 0 343.515 2.385 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccncc3)CC2)CC1(C)C ZINC000623365287 469636543 /nfs/dbraw/zinc/63/65/43/469636543.db2.gz OBEDNUJNOOPLLD-QGZVFWFLSA-N 2 0 330.476 2.149 10 0 EEAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2c3ccccc3OCC2=O)CC1(C)C ZINC000623431244 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UVJWJLDFFVQUPP-MJGOQNOKSA-N 2 0 345.487 2.118 10 0 EEAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000647902008 471012397 /nfs/dbraw/zinc/01/23/97/471012397.db2.gz YNDUOSXRUXSGAQ-WBVHZDCISA-N 2 0 347.528 2.487 10 0 EEAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659981 471117600 /nfs/dbraw/zinc/11/76/00/471117600.db2.gz OGBAFDXBMRWUIE-HDICACEKSA-N 2 0 338.540 2.480 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CC[NH2+]C34CCCC4)ccc21 ZINC000648206167 471122946 /nfs/dbraw/zinc/12/29/46/471122946.db2.gz UYVWNZAWCVTGCD-GOSISDBHSA-N 2 0 340.471 2.395 10 0 EEAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104529 471138784 /nfs/dbraw/zinc/13/87/84/471138784.db2.gz OBLNKJYHXJDULV-JCGIZDLHSA-N 2 0 340.471 2.028 10 0 EEAERP Cc1[nH+]c2ccccc2c(N2CCN(CC[NH+](C)C)C(=O)C2)c1C ZINC000651383384 471152972 /nfs/dbraw/zinc/15/29/72/471152972.db2.gz XCGIOFDSDMEPSR-UHFFFAOYSA-N 2 0 326.444 2.062 10 0 EEAERP 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/nfs/dbraw/zinc/49/29/42/471492942.db2.gz BTDYZYCKEZKAPM-RTBURBONSA-N 2 0 327.472 2.082 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000666682888 471494633 /nfs/dbraw/zinc/49/46/33/471494633.db2.gz FKAUAUDKXFIYOL-UHFFFAOYSA-N 2 0 345.491 2.174 10 0 EEAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000669565097 471558987 /nfs/dbraw/zinc/55/89/87/471558987.db2.gz BLLBLESHMDUUPN-WBAXXEDZSA-N 2 0 330.476 2.028 10 0 EEAERP C[NH+]1CCC(n2ccc(NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)n2)CC1 ZINC000666926945 471591492 /nfs/dbraw/zinc/59/14/92/471591492.db2.gz BVILOPLWCQCVFB-OAHLLOKOSA-N 2 0 348.495 2.144 10 0 EEAERP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000659381924 471599569 /nfs/dbraw/zinc/59/95/69/471599569.db2.gz NHVAORIPFNIXMO-RTBURBONSA-N 2 0 341.499 2.405 10 0 EEAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000661043353 471600635 /nfs/dbraw/zinc/60/06/35/471600635.db2.gz ADDNHLXVEOLCOR-HXUWFJFHSA-N 2 0 344.503 2.244 10 0 EEAERP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000656153744 471611080 /nfs/dbraw/zinc/61/10/80/471611080.db2.gz MDWDWKVYQXETCX-ZNMIVQPWSA-N 2 0 326.868 2.318 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659435674 471626633 /nfs/dbraw/zinc/62/66/33/471626633.db2.gz ZJSUJVQMLRRMIU-BRWVUGGUSA-N 2 0 326.529 2.417 10 0 EEAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659454364 471635696 /nfs/dbraw/zinc/63/56/96/471635696.db2.gz DYHSLJSWKDKBIC-QZTJIDSGSA-N 2 0 332.492 2.324 10 0 EEAERP C[C@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000659479138 471648005 /nfs/dbraw/zinc/64/80/05/471648005.db2.gz HLRBEJJCFXYNET-YJBOKZPZSA-N 2 0 334.508 2.058 10 0 EEAERP C[C@H](CC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659527278 471667748 /nfs/dbraw/zinc/66/77/48/471667748.db2.gz KLKAIHOEHUBHDJ-AEFFLSMTSA-N 2 0 344.503 2.325 10 0 EEAERP Cn1c2ccccc2cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1=O ZINC000653570497 471669129 /nfs/dbraw/zinc/66/91/29/471669129.db2.gz QTZQTRKEFCOIAN-FUHWJXTLSA-N 2 0 325.456 2.455 10 0 EEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667789520 471905059 /nfs/dbraw/zinc/90/50/59/471905059.db2.gz QQISDMMJKYXQSQ-NHCUHLMSSA-N 2 0 343.515 2.481 10 0 EEAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233399 471975893 /nfs/dbraw/zinc/97/58/93/471975893.db2.gz HAINRBCSBAUEIW-UTKZUKDTSA-N 3 0 345.531 2.426 10 0 EEAERP O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668010889 471977658 /nfs/dbraw/zinc/97/76/58/471977658.db2.gz LZEKPRXNSVTSIA-FQEVSTJZSA-N 2 0 345.406 2.363 10 0 EEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000665289030 471990978 /nfs/dbraw/zinc/99/09/78/471990978.db2.gz DIYMWAORJNPZDQ-RCCFBDPRSA-N 2 0 333.476 2.071 10 0 EEAERP c1c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)nc2ncccn12 ZINC000668510882 472153005 /nfs/dbraw/zinc/15/30/05/472153005.db2.gz AARZSCLIRDTWDY-UHFFFAOYSA-N 2 0 336.443 2.126 10 0 EEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncnc2sccc21 ZINC000668667357 472216701 /nfs/dbraw/zinc/21/67/01/472216701.db2.gz VZWTWXGUKCTIRL-UHFFFAOYSA-N 2 0 349.504 2.037 10 0 EEAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673862482 485560621 /nfs/dbraw/zinc/56/06/21/485560621.db2.gz LFVWCIDOIAFYQY-XJKSGUPXSA-N 2 0 326.404 2.016 10 0 EEAERP C[NH2+]CCOCC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000629570275 485733821 /nfs/dbraw/zinc/73/38/21/485733821.db2.gz VNMYIXFFZJIHAR-UHFFFAOYSA-N 2 0 329.444 2.336 10 0 EEAERP COc1ccc(COCCN2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000680583454 486011843 /nfs/dbraw/zinc/01/18/43/486011843.db2.gz XFNALRSRRCSKHC-UHFFFAOYSA-N 2 0 342.443 2.132 10 0 EEAERP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000678006959 486547518 /nfs/dbraw/zinc/54/75/18/486547518.db2.gz OSCBVJBXNORPNE-UONOGXRCSA-N 2 0 328.420 2.214 10 0 EEAERP CC[NH+](CC)CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000772141272 577254276 /nfs/dbraw/zinc/25/42/76/577254276.db2.gz GBIHIXWYNSUOKS-UHFFFAOYSA-N 2 0 333.476 2.327 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000723901690 676823056 /nfs/dbraw/zinc/82/30/56/676823056.db2.gz JJPPHWLZORHZBT-VXGBXAGGSA-N 2 0 340.265 2.304 10 0 EEAERP C[NH+](C)Cc1ccc(-c2noc(COC3CC[NH+](C)CC3)n2)cc1 ZINC000923781302 681480452 /nfs/dbraw/zinc/48/04/52/681480452.db2.gz VZLOGAOECCBGCP-UHFFFAOYSA-N 2 0 330.432 2.409 10 0 EEAERP CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000310917437 681984751 /nfs/dbraw/zinc/98/47/51/681984751.db2.gz FJSYOAGUQPTFLG-MXEMCNAFSA-N 2 0 343.515 2.207 10 0 EEAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc3onc(C)c3c2)CC1 ZINC000894940431 683421886 /nfs/dbraw/zinc/42/18/86/683421886.db2.gz MWDUXSOIJCARHO-UHFFFAOYSA-N 2 0 331.464 2.037 10 0 EEAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925643805 684701174 /nfs/dbraw/zinc/70/11/74/684701174.db2.gz IEKNADMGLVMFQU-VXGBXAGGSA-N 2 0 325.478 2.358 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904471603 694404022 /nfs/dbraw/zinc/40/40/22/694404022.db2.gz JUCDRKLBEPJMSJ-FJSFZFNTSA-N 3 0 327.472 2.363 10 0 EEAERP COCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485580359 1191847524 /nfs/dbraw/zinc/84/75/24/1191847524.db2.gz HCMKLSKNFZKGST-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)CCCCC1 ZINC001485608904 1191860889 /nfs/dbraw/zinc/86/08/89/1191860889.db2.gz GRWWWADFVCKLBD-NNZMDNLPSA-N 2 0 333.520 2.203 10 0 EEAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001485813840 1191978019 /nfs/dbraw/zinc/97/80/19/1191978019.db2.gz OHEFPSBZAUNJKD-RTBURBONSA-N 2 0 344.503 2.283 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCCCC(F)(F)F)CC[N@@H+]1C ZINC001266313532 1176214069 /nfs/dbraw/zinc/21/40/69/1176214069.db2.gz LNSFSLQSVAYGCS-KBPBESRZSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1ccc(CC[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001670456746 1176798001 /nfs/dbraw/zinc/79/80/01/1176798001.db2.gz NKQWQPNUGQWBDO-MOPGFXCFSA-N 2 0 329.488 2.116 10 0 EEAERP CN(CCOCC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279436358 1176838572 /nfs/dbraw/zinc/83/85/72/1176838572.db2.gz DIMZJQXAZCLFHL-SFHVURJKSA-N 2 0 337.508 2.036 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001266807394 1177464596 /nfs/dbraw/zinc/46/45/96/1177464596.db2.gz KIZJYUDILIOCPO-KBPBESRZSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001266814923 1177475412 /nfs/dbraw/zinc/47/54/12/1177475412.db2.gz AJEYAXYXDVMHIQ-KKUMJFAQSA-N 2 0 331.451 2.200 10 0 EEAERP Cc1ccc(OCC[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001266877463 1177686358 /nfs/dbraw/zinc/68/63/58/1177686358.db2.gz TUVQOBLAIMIXBJ-SFHVURJKSA-N 2 0 347.503 2.296 10 0 EEAERP CN(CC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691351857 1177951068 /nfs/dbraw/zinc/95/10/68/1177951068.db2.gz JAPBGDWUCQBKJA-KRWDZBQOSA-N 2 0 349.523 2.061 10 0 EEAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001691377633 1177983687 /nfs/dbraw/zinc/98/36/87/1177983687.db2.gz NEQBFFLESHTXRQ-UHFFFAOYSA-N 2 0 333.451 2.045 10 0 EEAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1nccs1)[NH+](C)C ZINC001267175666 1178416420 /nfs/dbraw/zinc/41/64/20/1178416420.db2.gz XUFGVRPBQIRDFP-CABCVRRESA-N 2 0 338.521 2.344 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267274029 1178656648 /nfs/dbraw/zinc/65/66/48/1178656648.db2.gz KCRGHFAORWQPSV-OKZBNKHCSA-N 2 0 339.524 2.112 10 0 EEAERP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001267372763 1178882928 /nfs/dbraw/zinc/88/29/28/1178882928.db2.gz XMMYALBUDUJINU-GOSISDBHSA-N 2 0 333.476 2.116 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001267397948 1178968286 /nfs/dbraw/zinc/96/82/86/1178968286.db2.gz SEKYAQFMWVDNEM-OAHLLOKOSA-N 2 0 343.462 2.488 10 0 EEAERP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001267473296 1179103680 /nfs/dbraw/zinc/10/36/80/1179103680.db2.gz INWYJXBTIUXRGF-CALCHBBNSA-N 2 0 347.503 2.424 10 0 EEAERP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC001481044883 1179624058 /nfs/dbraw/zinc/62/40/58/1179624058.db2.gz UQHVOFQOZNCYAK-GDBMZVCRSA-N 2 0 343.462 2.487 10 0 EEAERP CC(C)OCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481111238 1179762405 /nfs/dbraw/zinc/76/24/05/1179762405.db2.gz BQIPNELYGMFEEQ-MSOLQXFVSA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@H+](CCNC(=O)Cn1ccnc1C)Cc1ccc(C)nc1C ZINC001481153893 1179937000 /nfs/dbraw/zinc/93/70/00/1179937000.db2.gz OHNLERPVPUMDTL-UHFFFAOYSA-N 2 0 343.475 2.232 10 0 EEAERP Cc1nocc1C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481259754 1180497904 /nfs/dbraw/zinc/49/79/04/1180497904.db2.gz HRROZSFBMYZRHY-UHFFFAOYSA-N 2 0 336.480 2.043 10 0 EEAERP CN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481271060 1180565946 /nfs/dbraw/zinc/56/59/46/1180565946.db2.gz MZCXLWQNDGNYBG-IBGZPJMESA-N 2 0 344.503 2.427 10 0 EEAERP CN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)CCC[NH+](C)C ZINC001481273514 1180606231 /nfs/dbraw/zinc/60/62/31/1180606231.db2.gz VEUNGJBRMLTLIJ-KRWDZBQOSA-N 2 0 331.504 2.181 10 0 EEAERP Cc1ncsc1C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481342371 1181073831 /nfs/dbraw/zinc/07/38/31/1181073831.db2.gz OWXJGJZKENRXPN-CYBMUJFWSA-N 2 0 338.521 2.120 10 0 EEAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001481412584 1181255760 /nfs/dbraw/zinc/25/57/60/1181255760.db2.gz ZMLQZCXXPYTQJW-SFHVURJKSA-N 2 0 339.524 2.066 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001481447415 1181369791 /nfs/dbraw/zinc/36/97/91/1181369791.db2.gz QHKQBBOVCITNIT-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP O=C(NCC1([NH2+]CCCF)CCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268040691 1181412764 /nfs/dbraw/zinc/41/27/64/1181412764.db2.gz UMVHAKRYSRTFBC-HZPDHXFCSA-N 2 0 325.472 2.382 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc2cccs2)CC[N@@H+]1C ZINC001268064697 1181653384 /nfs/dbraw/zinc/65/33/84/1181653384.db2.gz UBLHXLBOFICEOP-HYVNUMGLSA-N 2 0 337.533 2.457 10 0 EEAERP COCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001268133072 1181787853 /nfs/dbraw/zinc/78/78/53/1181787853.db2.gz IJORMHVXKAMMFN-RDTXWAMCSA-N 2 0 344.459 2.119 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1 ZINC001268163625 1181879422 /nfs/dbraw/zinc/87/94/22/1181879422.db2.gz ZECCMTWEHYRETB-SFHVURJKSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C[NH2+]CCF ZINC001268189056 1181974314 /nfs/dbraw/zinc/97/43/14/1181974314.db2.gz KMECAZRRIKXXJT-WMLDXEAASA-N 2 0 345.422 2.067 10 0 EEAERP C[C@@H]1CCCN(C(=O)CCc2cncn2C)[C@@H]1C[NH2+]CCC1CC1 ZINC001268195462 1181989403 /nfs/dbraw/zinc/98/94/03/1181989403.db2.gz KUXLRXGDNYHXTE-CRAIPNDOSA-N 2 0 332.492 2.370 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1F ZINC001268400470 1182492974 /nfs/dbraw/zinc/49/29/74/1182492974.db2.gz XPKFUOJOMLKSAV-GDBMZVCRSA-N 2 0 335.467 2.460 10 0 EEAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268403274 1182511904 /nfs/dbraw/zinc/51/19/04/1182511904.db2.gz LJUGEQVBQJDGMA-CYBMUJFWSA-N 2 0 331.451 2.248 10 0 EEAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268417514 1182578472 /nfs/dbraw/zinc/57/84/72/1182578472.db2.gz YJGWDGCQHCQDGA-CQSZACIVSA-N 2 0 336.480 2.088 10 0 EEAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001481779475 1182682280 /nfs/dbraw/zinc/68/22/80/1182682280.db2.gz SZIOJGIXJIUXCP-HKUYNNGSSA-N 2 0 344.503 2.155 10 0 EEAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1Cl ZINC001481876625 1182853672 /nfs/dbraw/zinc/85/36/72/1182853672.db2.gz WJHRTNXACJQEOF-KGLIPLIRSA-N 2 0 341.858 2.415 10 0 EEAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(Cl)c1F ZINC001481877067 1182854740 /nfs/dbraw/zinc/85/47/40/1182854740.db2.gz ZFLNBJZXZAYSHF-KBPBESRZSA-N 2 0 341.858 2.415 10 0 EEAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCO)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001481960047 1183041108 /nfs/dbraw/zinc/04/11/08/1183041108.db2.gz FMURUEYCCKFVTO-OXQOHEQNSA-N 2 0 347.503 2.009 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CC(F)(F)C2)CC1 ZINC001481997195 1183104584 /nfs/dbraw/zinc/10/45/84/1183104584.db2.gz SQYHPXQUEXYBHT-MRXNPFEDSA-N 2 0 343.462 2.344 10 0 EEAERP Cc1nocc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001482000067 1183113937 /nfs/dbraw/zinc/11/39/37/1183113937.db2.gz FBONDKJVFFYVSD-GOSISDBHSA-N 2 0 348.491 2.186 10 0 EEAERP COc1ccc(C[NH2+]CCC2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001482003129 1183119807 /nfs/dbraw/zinc/11/98/07/1183119807.db2.gz BCNKONRVEWLINR-UHFFFAOYSA-N 2 0 347.503 2.365 10 0 EEAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001482027118 1183155898 /nfs/dbraw/zinc/15/58/98/1183155898.db2.gz YASTVBQUHRYXCV-KZNAEPCWSA-N 2 0 339.524 2.162 10 0 EEAERP O=C(NC/C=C/C[NH2+][C@@H]1CCc2ccccc21)[C@H]1C[NH+]2CCC1CC2 ZINC001268538663 1183200076 /nfs/dbraw/zinc/20/00/76/1183200076.db2.gz LSPRJJHLVIMJRS-YIYNPQHWSA-N 2 0 339.483 2.278 10 0 EEAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]Cc1cnc(Cl)s1)C1CCC1 ZINC001268549074 1183231275 /nfs/dbraw/zinc/23/12/75/1183231275.db2.gz CGGAJJMKMYTREN-IHWYPQMZSA-N 2 0 342.896 2.043 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268550762 1183235628 /nfs/dbraw/zinc/23/56/28/1183235628.db2.gz UMUYTSLMUUWIQU-WRFKIARRSA-N 2 0 346.475 2.152 10 0 EEAERP Cc1c(C(=O)NC/C=C/C[NH2+]C[C@H]2CCCCO2)ccc2c[nH+]cn21 ZINC001268560839 1183258394 /nfs/dbraw/zinc/25/83/94/1183258394.db2.gz ZXAQHSZNCXFUTM-REMYHPOOSA-N 2 0 342.443 2.087 10 0 EEAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001482101367 1183334124 /nfs/dbraw/zinc/33/41/24/1183334124.db2.gz MJDMRPQFZCXCOU-HKUYNNGSSA-N 2 0 331.504 2.444 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CC=C(Cl)Cl ZINC001482154226 1183464721 /nfs/dbraw/zinc/46/47/21/1183464721.db2.gz KIYGTJUZMVJFRD-CYBMUJFWSA-N 2 0 336.307 2.379 10 0 EEAERP Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001268611822 1183524711 /nfs/dbraw/zinc/52/47/11/1183524711.db2.gz BCGRWHXGCNAISL-PLNGDYQASA-N 2 0 341.499 2.470 10 0 EEAERP O=C(NC/C=C/C[NH2+]Cc1cncs1)C1CC[NH+](CC2CC2)CC1 ZINC001268613660 1183527842 /nfs/dbraw/zinc/52/78/42/1183527842.db2.gz HNQKBAKUJYIZIQ-OWOJBTEDSA-N 2 0 348.516 2.027 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001268647981 1183578857 /nfs/dbraw/zinc/57/88/57/1183578857.db2.gz OQFHPOLPSPDZBS-HIFRSBDPSA-N 2 0 338.883 2.204 10 0 EEAERP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268658318 1183588608 /nfs/dbraw/zinc/58/86/08/1183588608.db2.gz HOQIVRBWPPBJJE-AOIWGVFYSA-N 2 0 331.504 2.444 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001268661583 1183589603 /nfs/dbraw/zinc/58/96/03/1183589603.db2.gz ACZWDSGWWXMFED-MAUKXSAKSA-N 2 0 347.503 2.118 10 0 EEAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001268821653 1183740823 /nfs/dbraw/zinc/74/08/23/1183740823.db2.gz FJDRNHARMWAMPM-IMJJTQAJSA-N 2 0 336.480 2.212 10 0 EEAERP O=C(N1CCC[C@@H](CC[NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001269791758 1184624588 /nfs/dbraw/zinc/62/45/88/1184624588.db2.gz RBQGAUWBYCOVQG-KRWDZBQOSA-N 2 0 339.499 2.440 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001270287878 1184987510 /nfs/dbraw/zinc/98/75/10/1184987510.db2.gz SRYXURZKIVANFB-KZJSRBBCSA-N 2 0 327.900 2.440 10 0 EEAERP CCc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001270595808 1185192447 /nfs/dbraw/zinc/19/24/47/1185192447.db2.gz QDOQFRANIHVFBQ-VQIMIIECSA-N 2 0 331.504 2.085 10 0 EEAERP C[NH+]1CCC(CC(=O)NC[C@H]2CN(CC3=CCCCC3)CCO2)CC1 ZINC001270682861 1185308498 /nfs/dbraw/zinc/30/84/98/1185308498.db2.gz PSJPMPHVOPLJAF-IBGZPJMESA-N 2 0 349.519 2.036 10 0 EEAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)s1 ZINC001482337490 1185434027 /nfs/dbraw/zinc/43/40/27/1185434027.db2.gz AGMKMPHVLOJPFI-ZDUSSCGKSA-N 2 0 338.521 2.120 10 0 EEAERP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482368404 1185529143 /nfs/dbraw/zinc/52/91/43/1185529143.db2.gz PBMWKSQIIQHRFQ-CQSZACIVSA-N 2 0 346.500 2.455 10 0 EEAERP Cc1csc(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)n1 ZINC001482399403 1185616263 /nfs/dbraw/zinc/61/62/63/1185616263.db2.gz YLEPNXWKXPZXAB-HNNXBMFYSA-N 2 0 338.521 2.168 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001482408777 1185633890 /nfs/dbraw/zinc/63/38/90/1185633890.db2.gz GYGDVHUBUUKNJM-IBGZPJMESA-N 2 0 346.519 2.496 10 0 EEAERP Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001271565840 1186316095 /nfs/dbraw/zinc/31/60/95/1186316095.db2.gz JWLQAXJXNOPHTJ-MRXNPFEDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001271701403 1186380337 /nfs/dbraw/zinc/38/03/37/1186380337.db2.gz XSKSOFPUJQAXDN-LPHOPBHVSA-N 2 0 346.519 2.306 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001482544795 1186638059 /nfs/dbraw/zinc/63/80/59/1186638059.db2.gz JUIVDMIBWFIVPQ-INIZCTEOSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1oncc1C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001482544797 1186638554 /nfs/dbraw/zinc/63/85/54/1186638554.db2.gz JUIVDMIBWFIVPQ-MRXNPFEDSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1nc(C[NH2+][C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)C)cs1 ZINC001482555061 1186717978 /nfs/dbraw/zinc/71/79/78/1186717978.db2.gz ZGULLHOGOJZOQJ-XJKSGUPXSA-N 2 0 338.521 2.024 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001272772248 1193490789 /nfs/dbraw/zinc/49/07/89/1193490789.db2.gz DLHWUYKIQYTAPV-CZUORRHYSA-N 2 0 338.521 2.309 10 0 EEAERP CC(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482696312 1187666567 /nfs/dbraw/zinc/66/65/67/1187666567.db2.gz VHVHFKONQDHODC-WMZOPIPTSA-N 2 0 339.524 2.018 10 0 EEAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001482834371 1187753679 /nfs/dbraw/zinc/75/36/79/1187753679.db2.gz UPVLIQIHPKGCJX-OAHLLOKOSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@@H](CC[NH2+]CCOC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482861060 1187774687 /nfs/dbraw/zinc/77/46/87/1187774687.db2.gz RHSPYXUZYXYABR-FUHWJXTLSA-N 2 0 339.524 2.304 10 0 EEAERP Cc1ccc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001483008749 1187991243 /nfs/dbraw/zinc/99/12/43/1187991243.db2.gz MDBDVPJGCXDVQY-MSIWKICXSA-N 2 0 329.488 2.140 10 0 EEAERP C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001483069123 1188414894 /nfs/dbraw/zinc/41/48/94/1188414894.db2.gz JVJYRHISLDZLOJ-APHBUQMISA-N 2 0 348.466 2.247 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccccn1)[NH+]1CCCCC1 ZINC001483096228 1188470394 /nfs/dbraw/zinc/47/03/94/1188470394.db2.gz ALXDBCDENAGZOS-GHOSXJJBSA-N 2 0 344.503 2.354 10 0 EEAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2cncn2C1 ZINC001272873136 1193587934 /nfs/dbraw/zinc/58/79/34/1193587934.db2.gz HEEJCIPKIPTSFW-WMZOPIPTSA-N 2 0 340.471 2.439 10 0 EEAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001409343619 1189550773 /nfs/dbraw/zinc/55/07/73/1189550773.db2.gz BXABZTSWRASOTR-QWHCGFSZSA-N 2 0 339.430 2.432 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1C ZINC001485878501 1193624248 /nfs/dbraw/zinc/62/42/48/1193624248.db2.gz UOBHECZDIZZPIP-JFIYKMOQSA-N 2 0 347.503 2.280 10 0 EEAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485875224 1193626806 /nfs/dbraw/zinc/62/68/06/1193626806.db2.gz JUZUDQULYMIECQ-KXBFYZLASA-N 2 0 347.478 2.412 10 0 EEAERP COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001485922727 1193641062 /nfs/dbraw/zinc/64/10/62/1193641062.db2.gz PYLPOSPHHQGWOB-IRXDYDNUSA-N 2 0 347.503 2.111 10 0 EEAERP Cc1ccc(CCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001485955590 1193648122 /nfs/dbraw/zinc/64/81/22/1193648122.db2.gz NMIFIAKFCMGYGZ-GOSISDBHSA-N 2 0 331.504 2.460 10 0 EEAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc2c(c1)COC2 ZINC001409572562 1190045795 /nfs/dbraw/zinc/04/57/95/1190045795.db2.gz BJFFFQMYTCWQPR-KXBFYZLASA-N 2 0 345.487 2.138 10 0 EEAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(F)cc1 ZINC001409609028 1190101534 /nfs/dbraw/zinc/10/15/34/1190101534.db2.gz DYOLWVXFLZGUJN-UXLLHSPISA-N 2 0 335.467 2.493 10 0 EEAERP C[C@@H](C[NH2+]CCCc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483256403 1190283986 /nfs/dbraw/zinc/28/39/86/1190283986.db2.gz WYVFLSGDBYQREH-WMLDXEAASA-N 2 0 337.895 2.461 10 0 EEAERP CO[C@H](C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001483259863 1190285277 /nfs/dbraw/zinc/28/52/77/1190285277.db2.gz RIOMEXWZXGULBY-UOVPBQLFSA-N 2 0 339.524 2.016 10 0 EEAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001483297649 1190319973 /nfs/dbraw/zinc/31/99/73/1190319973.db2.gz AVQJDYZYDKMVRO-LPHOPBHVSA-N 2 0 346.519 2.413 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2cnccc2C)CC[N@@H+]1C ZINC001483339831 1190370152 /nfs/dbraw/zinc/37/01/52/1190370152.db2.gz MCWMCMGLZKMPIT-BPQIPLTHSA-N 2 0 332.492 2.057 10 0 EEAERP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)COC1CC[NH+](C)CC1 ZINC001483405420 1190450213 /nfs/dbraw/zinc/45/02/13/1190450213.db2.gz YEKLFJKXTBWHRY-SJORKVTESA-N 2 0 347.503 2.295 10 0 EEAERP C[C@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1cncn1C ZINC001483415185 1190462661 /nfs/dbraw/zinc/46/26/61/1190462661.db2.gz MTNRZIUDAORMKO-BEFAXECRSA-N 2 0 340.471 2.477 10 0 EEAERP CCOCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001483443787 1190482484 /nfs/dbraw/zinc/48/24/84/1190482484.db2.gz QLOOHKPHWPDAAC-ROUUACIJSA-N 2 0 339.524 2.019 10 0 EEAERP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)C[NH+]1CCCC1 ZINC001486094457 1193679423 /nfs/dbraw/zinc/67/94/23/1193679423.db2.gz BDCHHTOBMPAHAG-FFRPFHMCSA-N 2 0 327.472 2.375 10 0 EEAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483606445 1190585626 /nfs/dbraw/zinc/58/56/26/1190585626.db2.gz YWKHRDZJCHUFOD-FUHWJXTLSA-N 2 0 333.451 2.070 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC001486130740 1193689895 /nfs/dbraw/zinc/68/98/95/1193689895.db2.gz SJXXKEUNYWGZFY-QAPCUYQASA-N 2 0 349.523 2.193 10 0 EEAERP CCc1nocc1C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001409836304 1190669028 /nfs/dbraw/zinc/66/90/28/1190669028.db2.gz WZEBYRUUUIQAKD-INIZCTEOSA-N 2 0 336.480 2.050 10 0 EEAERP COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001409863357 1190717861 /nfs/dbraw/zinc/71/78/61/1190717861.db2.gz YUUGNRIQIDUHSN-QZTJIDSGSA-N 2 0 339.524 2.114 10 0 EEAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001272323665 1190761557 /nfs/dbraw/zinc/76/15/57/1190761557.db2.gz RWTUDBGEXZKNBB-CHWSQXEVSA-N 2 0 346.302 2.276 10 0 EEAERP O=C(N1CC[C@H](CC[NH2+]CCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001272616468 1190931206 /nfs/dbraw/zinc/93/12/06/1190931206.db2.gz MTFYIFUHUSNTLD-SFHVURJKSA-N 2 0 333.520 2.491 10 0 EEAERP O=C(NCC1([NH2+]CCCCC(F)(F)F)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001483786985 1191028928 /nfs/dbraw/zinc/02/89/28/1191028928.db2.gz JDFBEIGYQMQNCU-HNNXBMFYSA-N 2 0 347.425 2.443 10 0 EEAERP CCOCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001483801112 1191043043 /nfs/dbraw/zinc/04/30/43/1191043043.db2.gz GLNMAEACHBWWNE-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001484010132 1191153828 /nfs/dbraw/zinc/15/38/28/1191153828.db2.gz VQHZHXXBUXHUSL-RDTXWAMCSA-N 2 0 348.491 2.089 10 0 EEAERP CC(C)OCCC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001484097674 1191209614 /nfs/dbraw/zinc/20/96/14/1191209614.db2.gz DDHDJACVTDHOQY-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cccnc1C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001484467262 1191371630 /nfs/dbraw/zinc/37/16/30/1191371630.db2.gz DYNRSXZDPUDNBY-OALUTQOASA-N 2 0 344.503 2.296 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cnc(C)s1 ZINC001485078538 1191646275 /nfs/dbraw/zinc/64/62/75/1191646275.db2.gz TTWFRGMLYXYBPB-OAHLLOKOSA-N 2 0 338.521 2.216 10 0 EEAERP CCOCCC[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001485096626 1191654336 /nfs/dbraw/zinc/65/43/36/1191654336.db2.gz ALJVCNXITYGULQ-UHFFFAOYSA-N 2 0 344.459 2.167 10 0 EEAERP Cc1cccc(C)c1OCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485285261 1191717063 /nfs/dbraw/zinc/71/70/63/1191717063.db2.gz BCUCBVOKAWSIIF-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccc(C2CC2)cc1 ZINC001485384792 1191769416 /nfs/dbraw/zinc/76/94/16/1191769416.db2.gz ZCXICIYXVPMBNM-DNVCBOLYSA-N 2 0 329.488 2.452 10 0 EEAERP COC[C@@H](C)[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001485459462 1191797579 /nfs/dbraw/zinc/79/75/79/1191797579.db2.gz RRPKHRXGTGYAHX-QGZVFWFLSA-N 2 0 339.524 2.306 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001486515986 1194035855 /nfs/dbraw/zinc/03/58/55/1194035855.db2.gz WHLFHCBFNRDUIY-INIZCTEOSA-N 2 0 345.462 2.416 10 0 EEAERP CC(C)c1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001272954751 1194220527 /nfs/dbraw/zinc/22/05/27/1194220527.db2.gz MCTYICHQWAUSQS-GJZGRUSLSA-N 2 0 336.480 2.267 10 0 EEAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1F)[NH+](C)C ZINC001273122947 1194405258 /nfs/dbraw/zinc/40/52/58/1194405258.db2.gz KJDKTKXDAYQYLI-BLLLJJGKSA-N 2 0 327.419 2.289 10 0 EEAERP C[C@H](CC[NH2+]CCc1ccc(Cl)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001273123182 1194406252 /nfs/dbraw/zinc/40/62/52/1194406252.db2.gz OKJYNWQTSVGPPZ-OAHLLOKOSA-N 2 0 349.906 2.463 10 0 EEAERP Cc1oncc1C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001410188123 1197593365 /nfs/dbraw/zinc/59/33/65/1197593365.db2.gz OWDBYFCABCEYBG-LZLYRXPVSA-N 2 0 348.491 2.040 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001410194611 1197596787 /nfs/dbraw/zinc/59/67/87/1197596787.db2.gz UCGDMBUDUVVZQI-IPMKNSEASA-N 2 0 344.503 2.140 10 0 EEAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1)[NH+](C)C ZINC001410224584 1197615030 /nfs/dbraw/zinc/61/50/30/1197615030.db2.gz PWNHZZDYLLLSOY-KBAYOESNSA-N 2 0 335.467 2.396 10 0 EEAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccns2)C1 ZINC001410227993 1197617937 /nfs/dbraw/zinc/61/79/37/1197617937.db2.gz BBPKROSNQUZCTR-RBSFLKMASA-N 2 0 336.505 2.002 10 0 EEAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(Cl)Cl ZINC001410378027 1197772178 /nfs/dbraw/zinc/77/21/78/1197772178.db2.gz LMTWQWPEIPAETG-DGCLKSJQSA-N 2 0 334.291 2.084 10 0 EEAERP C[NH+](C)C1(C(=O)N2CCO[C@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001273267815 1197895724 /nfs/dbraw/zinc/89/57/24/1197895724.db2.gz JEZQXOCQSZSMEB-GOSISDBHSA-N 2 0 349.519 2.178 10 0 EEAERP Cc1ccccc1NC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865244906 1198138486 /nfs/dbraw/zinc/13/84/86/1198138486.db2.gz FLNOBPPDXDPYMM-HZPDHXFCSA-N 2 0 334.533 2.363 10 0 EEAERP CC(C)[C@H](C[NH2+]Cc1cnc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000865410837 1198202512 /nfs/dbraw/zinc/20/25/12/1198202512.db2.gz KCGOVNUBSZCBOJ-HNNXBMFYSA-N 2 0 328.863 2.236 10 0 EEAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865531572 1198261669 /nfs/dbraw/zinc/26/16/69/1198261669.db2.gz PPXREWKPLDMKDW-OAHLLOKOSA-N 2 0 330.451 2.490 10 0 EEAERP Brc1cccc2c1C[C@@H]([NH2+]CC1CC[NH2+]CC1)CO2 ZINC000873222776 1198534948 /nfs/dbraw/zinc/53/49/48/1198534948.db2.gz FTOGOQCUWMREPS-GFCCVEGCSA-N 2 0 325.250 2.342 10 0 EEAERP Cc1cnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC2(C)C)cn1 ZINC001411026925 1198705498 /nfs/dbraw/zinc/70/54/98/1198705498.db2.gz UQXVSDOUKMYOOA-RDJZCZTQSA-N 2 0 347.507 2.013 10 0 EEAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2F)C(C)(C)C1 ZINC001411115793 1198811517 /nfs/dbraw/zinc/81/15/17/1198811517.db2.gz PZWRXCRWBAVCGL-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP CSC1(C[NH2+]Cc2cnn(-c3ccccc3)n2)CC[NH+](C)CC1 ZINC000810170895 1199310566 /nfs/dbraw/zinc/31/05/66/1199310566.db2.gz RLKIIYIMZVAHSB-UHFFFAOYSA-N 2 0 331.489 2.184 10 0 EEAERP CCc1cccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000875699900 1199351418 /nfs/dbraw/zinc/35/14/18/1199351418.db2.gz BQKXYAWTIWKQFC-RTBURBONSA-N 2 0 346.519 2.130 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)C[C@H]1C[NH+](C)C ZINC000870018908 1200410786 /nfs/dbraw/zinc/41/07/86/1200410786.db2.gz ZGAVAKCIMAFKRE-KBUPBQIOSA-N 2 0 349.441 2.163 10 0 EEAERP Cc1ccc(C)c(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870022079 1200412154 /nfs/dbraw/zinc/41/21/54/1200412154.db2.gz OPRIOSDQUWNWCX-RTBURBONSA-N 2 0 331.504 2.044 10 0 EEAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)C[C@H]1C[NH+](C)C ZINC000870022823 1200413023 /nfs/dbraw/zinc/41/30/23/1200413023.db2.gz ZGSMZKUSMOVKOO-VAMGGRTRSA-N 2 0 343.515 2.378 10 0 EEAERP C[C@H]1CCCN(Cc2csc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)n2)C1 ZINC000870859848 1200915889 /nfs/dbraw/zinc/91/58/89/1200915889.db2.gz ILYMKPBQYRZZJZ-LKQDWFRTSA-N 2 0 334.489 2.441 10 0 EEAERP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000870869449 1200921389 /nfs/dbraw/zinc/92/13/89/1200921389.db2.gz SMFQDPVYJQCNOJ-UHFFFAOYSA-N 2 0 345.462 2.439 10 0 EEAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870896101 1200938702 /nfs/dbraw/zinc/93/87/02/1200938702.db2.gz OYAMSAUOPJLADU-LWEYNCJUSA-N 2 0 341.499 2.499 10 0 EEAERP c1ccc(C[N@@H+]2CC[C@@H](N3CCC[C@@H]([NH2+]C4CCOCC4)C3)C2)cc1 ZINC000880205709 1201421161 /nfs/dbraw/zinc/42/11/61/1201421161.db2.gz UJPRTJMOYREGGR-NHCUHLMSSA-N 2 0 343.515 2.494 10 0 EEAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866411860 1201510520 /nfs/dbraw/zinc/51/05/20/1201510520.db2.gz XNZHHHDYDDKHBP-IHPCNDPISA-N 2 0 345.531 2.332 10 0 EEAERP Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c(C)n1 ZINC001490799430 1201662876 /nfs/dbraw/zinc/66/28/76/1201662876.db2.gz DYTCBZUIGJAHLD-KDURUIRLSA-N 2 0 344.503 2.215 10 0 EEAERP COCCC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868186724 1201759832 /nfs/dbraw/zinc/75/98/32/1201759832.db2.gz QCWYZKYWZDDLHW-ZWKOTPCHSA-N 2 0 346.475 2.124 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001691726884 1204226782 /nfs/dbraw/zinc/22/67/82/1204226782.db2.gz DZBPQWYEBIEHOL-ZIAGYGMSSA-N 2 0 337.430 2.497 10 0 EEAERP Cc1cnc2cc(C(=O)NC/C=C/C[NH2+]Cc3ncccc3C)ccn12 ZINC001274025761 1204331853 /nfs/dbraw/zinc/33/18/53/1204331853.db2.gz MODCTJWNXIQISW-ONEGZZNKSA-N 2 0 349.438 2.422 10 0 EEAERP C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275202377 1205279678 /nfs/dbraw/zinc/27/96/78/1205279678.db2.gz IKZJHEBHBZIGIE-YJBOKZPZSA-N 2 0 335.467 2.337 10 0 EEAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCc1ccccc1 ZINC001275542698 1205402870 /nfs/dbraw/zinc/40/28/70/1205402870.db2.gz VUQAELWADBCJMC-IRXDYDNUSA-N 2 0 329.488 2.198 10 0 EEAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001411609927 1205451737 /nfs/dbraw/zinc/45/17/37/1205451737.db2.gz IHLIJXWWCHMODH-KRWDZBQOSA-N 2 0 333.451 2.201 10 0 EEAERP CCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+](CC)CC ZINC001411747279 1205509339 /nfs/dbraw/zinc/50/93/39/1205509339.db2.gz MMABHMXPPFTBDM-IRXDYDNUSA-N 2 0 348.539 2.245 10 0 EEAERP CN(CCC[NH2+]Cc1cc(C(C)(C)C)on1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275916640 1205584245 /nfs/dbraw/zinc/58/42/45/1205584245.db2.gz ZCZLULKSPVUYAD-HNNXBMFYSA-N 2 0 336.480 2.004 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001490822615 1205868875 /nfs/dbraw/zinc/86/88/75/1205868875.db2.gz IMFPAUBNSIYRMN-HKUYNNGSSA-N 2 0 345.487 2.129 10 0 EEAERP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)CC2)nc1 ZINC000924941392 1206053359 /nfs/dbraw/zinc/05/33/59/1206053359.db2.gz BLPUCISBDVOUFT-IPMKNSEASA-N 2 0 341.503 2.323 10 0 EEAERP O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925508419 1206120891 /nfs/dbraw/zinc/12/08/91/1206120891.db2.gz FPNIIUHOKWLLME-FSGKZVOOSA-N 2 0 339.483 2.125 10 0 EEAERP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925573831 1206130594 /nfs/dbraw/zinc/13/05/94/1206130594.db2.gz REDDHZZFDZVOPR-DLBZAZTESA-N 2 0 332.444 2.031 10 0 EEAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925667649 1206141877 /nfs/dbraw/zinc/14/18/77/1206141877.db2.gz DCXPZLDKDCMMNZ-SJORKVTESA-N 3 0 334.508 2.408 10 0 EEAERP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C1CC1 ZINC000925809587 1206156520 /nfs/dbraw/zinc/15/65/20/1206156520.db2.gz ROTGFJHXGZEODO-IBGZPJMESA-N 2 0 339.487 2.066 10 0 EEAERP Cc1c([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)(C)C ZINC000925848496 1206160201 /nfs/dbraw/zinc/16/02/01/1206160201.db2.gz BMHVTXZKOIRZEL-UKRRQHHQSA-N 2 0 348.491 2.282 10 0 EEAERP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853046 1206160840 /nfs/dbraw/zinc/16/08/40/1206160840.db2.gz XRENPNCUZHDKSY-SWLSCSKDSA-N 2 0 348.418 2.097 10 0 EEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(CC)CC ZINC000925858051 1206162170 /nfs/dbraw/zinc/16/21/70/1206162170.db2.gz RRTSCQFPQSQPBH-OWCLPIDISA-N 2 0 338.492 2.245 10 0 EEAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)c(F)c(F)c1 ZINC000925857423 1206162201 /nfs/dbraw/zinc/16/22/01/1206162201.db2.gz VHAPJVTXPVOHLJ-CMPLNLGQSA-N 2 0 342.361 2.440 10 0 EEAERP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1(C)C ZINC000925857973 1206162225 /nfs/dbraw/zinc/16/22/25/1206162225.db2.gz RBQKBFXOBRINNF-ARFHVFGLSA-N 2 0 338.492 2.245 10 0 EEAERP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000925877198 1206163163 /nfs/dbraw/zinc/16/31/63/1206163163.db2.gz NYFVYLHEFKFBHY-GVDBMIGSSA-N 2 0 334.460 2.259 10 0 EEAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000925903449 1206165746 /nfs/dbraw/zinc/16/57/46/1206165746.db2.gz GBNRXFDUGMBZJY-MSOLQXFVSA-N 2 0 347.507 2.246 10 0 EEAERP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1 ZINC000928085274 1206337855 /nfs/dbraw/zinc/33/78/55/1206337855.db2.gz HJAWZEMFPOPBBE-RCCFBDPRSA-N 2 0 347.528 2.375 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000928829042 1206425061 /nfs/dbraw/zinc/42/50/61/1206425061.db2.gz SWZLXPISOMKHCY-ROUUACIJSA-N 2 0 332.492 2.313 10 0 EEAERP CCc1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000929471709 1206478457 /nfs/dbraw/zinc/47/84/57/1206478457.db2.gz YETIVCYGHTXTBC-IBGZPJMESA-N 2 0 347.503 2.079 10 0 EEAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC2(COC2)O1 ZINC000929753483 1206498172 /nfs/dbraw/zinc/49/81/72/1206498172.db2.gz BCUIJSROKXDLGN-MOPGFXCFSA-N 2 0 330.472 2.388 10 0 EEAERP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)nn1 ZINC000930130296 1206536165 /nfs/dbraw/zinc/53/61/65/1206536165.db2.gz IUFAZRIQRITPFY-UHFFFAOYSA-N 2 0 331.508 2.084 10 0 EEAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000717993940 1211685050 /nfs/dbraw/zinc/68/50/50/1211685050.db2.gz INIJVIOSCVEGNJ-IEBWSBKVSA-N 2 0 332.488 2.418 10 0 EEAERP COC[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000717998236 1211685285 /nfs/dbraw/zinc/68/52/85/1211685285.db2.gz YRXUGONRVZUTKS-IBGZPJMESA-N 2 0 332.488 2.418 10 0 EEAERP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C[C@H](C)O1 ZINC000900980336 1235074461 /nfs/dbraw/zinc/07/44/61/1235074461.db2.gz JXNOAHIJGJDSLL-XDNAFOTISA-N 2 0 337.508 2.009 10 0 EEAERP c1cc(N2CCN(CCC[NH2+][C@H]3CCOC34CCCC4)CC2)cc[nH+]1 ZINC000903085516 1239697148 /nfs/dbraw/zinc/69/71/48/1239697148.db2.gz DKLOUBOCLBPTKK-IBGZPJMESA-N 2 0 344.503 2.285 10 0 EEAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000903494709 1240664201 /nfs/dbraw/zinc/66/42/01/1240664201.db2.gz LSAKBMMQSGUGJY-JAYZULETSA-N 2 0 344.455 2.119 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cnn1C ZINC000903937195 1242582356 /nfs/dbraw/zinc/58/23/56/1242582356.db2.gz DSMOZTCFVSKSAE-KXBFYZLASA-N 2 0 346.450 2.138 10 0 EEAERP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958231 1242723834 /nfs/dbraw/zinc/72/38/34/1242723834.db2.gz XJXAPRUKJCGCAL-OCCSQVGLSA-N 2 0 328.403 2.469 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000826941390 1248168956 /nfs/dbraw/zinc/16/89/56/1248168956.db2.gz IZTDDANMBUDSLG-GOSISDBHSA-N 2 0 348.487 2.322 10 0 EEAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccnc3)C2)CCCCC1 ZINC001491040173 1258596776 /nfs/dbraw/zinc/59/67/76/1258596776.db2.gz MVPVKDUMGUJGAI-HDICACEKSA-N 2 0 344.503 2.331 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491073208 1258649028 /nfs/dbraw/zinc/64/90/28/1258649028.db2.gz GMQIWRIYLCYOQR-ZIFCJYIRSA-N 2 0 347.503 2.197 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001491281826 1258888632 /nfs/dbraw/zinc/88/86/32/1258888632.db2.gz LQESOUGRCACHNT-OALUTQOASA-N 2 0 344.503 2.379 10 0 EEAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001491351781 1258992762 /nfs/dbraw/zinc/99/27/62/1258992762.db2.gz KENSPVSQOYQBBX-LVMOKFAESA-N 2 0 333.879 2.436 10 0 EEAERP CCN(CC[NH2+]Cc1cncs1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001273476523 1278576049 /nfs/dbraw/zinc/57/60/49/1278576049.db2.gz QSXNKGLKFZQAQH-UHFFFAOYSA-N 2 0 343.456 2.351 10 0 EEAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnn4ccccc34)cc2)C1 ZINC000850357876 1277197920 /nfs/dbraw/zinc/19/79/20/1277197920.db2.gz XBWAIUIGLURSRB-IBGZPJMESA-N 2 0 336.439 2.191 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000851657954 1277704409 /nfs/dbraw/zinc/70/44/09/1277704409.db2.gz RPJPCKFXUPNEKZ-NCXUSEDFSA-N 2 0 344.503 2.304 10 0 EEAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001273802054 1285956286 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C[C@@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CN1C(=O)CCCC[NH+](C)C ZINC001278416463 1310167019 /nfs/dbraw/zinc/16/70/19/1310167019.db2.gz NFXGXTXSDFNBGB-RHSMWYFYSA-N 2 0 336.455 2.032 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CCCCN2CCOCC2)[C@@H]1C ZINC001278521418 1317131355 /nfs/dbraw/zinc/13/13/55/1317131355.db2.gz NKUSFNUBOAORBI-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC[C@H]1CCCCO1)C(C)(C)C ZINC001278995931 1318953408 /nfs/dbraw/zinc/95/34/08/1318953408.db2.gz PCIXJKPTBZALKU-CVEARBPZSA-N 2 0 327.513 2.018 10 0 EEAERP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001264685602 1322784232 /nfs/dbraw/zinc/78/42/32/1322784232.db2.gz MKRCUINUSQBAED-QGZVFWFLSA-N 2 0 327.513 2.114 10 0 EEAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265310119 1323060394 /nfs/dbraw/zinc/06/03/94/1323060394.db2.gz HQIZXZRAAOSCND-OSJSJHBBSA-N 2 0 337.508 2.034 10 0 EEAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001265433616 1323152942 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335.414 2.298 10 0 EEAERP Cn1cncc1CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001284976396 1326805196 /nfs/dbraw/zinc/80/51/96/1326805196.db2.gz HDYACRDHAWIVJH-UHFFFAOYSA-N 2 0 330.476 2.291 10 0 EEAERP C[C@H]1C[NH+](CCCNC(=O)c2cccc(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC001587797755 1348872060 /nfs/dbraw/zinc/87/20/60/1348872060.db2.gz DDGKPHQGUXVSRP-IRXDYDNUSA-N 2 0 347.503 2.020 10 0 EEAERP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001491681672 1330203880 /nfs/dbraw/zinc/20/38/80/1330203880.db2.gz FXSHSKQFMNTSLX-CQSZACIVSA-N 2 0 338.883 2.205 10 0 EEAERP Cc1cnc(C[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001491858482 1330276513 /nfs/dbraw/zinc/27/65/13/1330276513.db2.gz JCVQFBYUGBWUQH-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP CCOCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491878117 1330285546 /nfs/dbraw/zinc/28/55/46/1330285546.db2.gz RQVDRXHUYDZVFB-IRXDYDNUSA-N 2 0 337.508 2.058 10 0 EEAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CCc2cccs2)CC1 ZINC001316856000 1331482740 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1332621303 /nfs/dbraw/zinc/62/13/03/1332621303.db2.gz FMBULSMCLLWITI-UHFFFAOYSA-N 2 0 335.467 2.496 10 0 EEAERP Cc1conc1C[NH2+]CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001318914962 1332622934 /nfs/dbraw/zinc/62/29/34/1332622934.db2.gz KNUNYCDNNVEHLA-HNNXBMFYSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1)[NH+](C)C ZINC001318979392 1332632116 /nfs/dbraw/zinc/63/21/16/1332632116.db2.gz POFIKPQMGBVTLP-LNLFQRSKSA-N 2 0 347.503 2.423 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001320150944 1332838823 /nfs/dbraw/zinc/83/88/23/1332838823.db2.gz DYRHKUDGBNOQGB-VOTDVEDPSA-N 2 0 327.900 2.488 10 0 EEAERP CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001320150942 1332838999 /nfs/dbraw/zinc/83/89/99/1332838999.db2.gz DYRHKUDGBNOQGB-AJNJCKRNSA-N 2 0 327.900 2.488 10 0 EEAERP C[C@@H](CC[NH2+]Cc1cc(O)ccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320372294 1332870312 /nfs/dbraw/zinc/87/03/12/1332870312.db2.gz OHBWKMWEVMPRTR-LRDDRELGSA-N 2 0 339.867 2.124 10 0 EEAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001320416892 1332878822 /nfs/dbraw/zinc/87/88/22/1332878822.db2.gz XPGKJCVZMALVDS-CXAGYDPISA-N 2 0 335.517 2.383 10 0 EEAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)sn1 ZINC001320644343 1332927657 /nfs/dbraw/zinc/92/76/57/1332927657.db2.gz LPVQKHHXFDRUPL-AWEZNQCLSA-N 2 0 338.521 2.312 10 0 EEAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1)[NH+]1CCCC1 ZINC001320646016 1332928578 /nfs/dbraw/zinc/92/85/78/1332928578.db2.gz VNMZGKYAGXXYKQ-HOCLYGCPSA-N 2 0 338.521 2.248 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cncc(F)c1 ZINC001320753023 1332945547 /nfs/dbraw/zinc/94/55/47/1332945547.db2.gz QYIOCXGSAXWDDL-KRWDZBQOSA-N 2 0 336.455 2.033 10 0 EEAERP CCN(CC[NH2+]CCc1ccccc1F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320839366 1332962592 /nfs/dbraw/zinc/96/25/92/1332962592.db2.gz AWEQYRKGTZEJEO-INIZCTEOSA-N 2 0 335.467 2.148 10 0 EEAERP CCN(CC[NH2+]Cc1ccncc1Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320891358 1332973294 /nfs/dbraw/zinc/97/32/94/1332973294.db2.gz HCTCUAMJQGPWHJ-CQSZACIVSA-N 2 0 338.883 2.015 10 0 EEAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320891453 1332973328 /nfs/dbraw/zinc/97/33/28/1332973328.db2.gz JHBIVEBQOODZFJ-MJGOQNOKSA-N 2 0 346.519 2.449 10 0 EEAERP CCN(CC[NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320928419 1332980942 /nfs/dbraw/zinc/98/09/42/1332980942.db2.gz KGSMYYJZJIDGFW-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)c1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001320998993 1332994648 /nfs/dbraw/zinc/99/46/48/1332994648.db2.gz SDGMBMANSSGGIG-WRFKIARRSA-N 2 0 330.476 2.061 10 0 EEAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089420 1333016650 /nfs/dbraw/zinc/01/66/50/1333016650.db2.gz BBTZHQRHUKZLDP-PQAMPZAHSA-N 2 0 325.472 2.404 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC001321211949 1333045812 /nfs/dbraw/zinc/04/58/12/1333045812.db2.gz VBIPJRDFTGJJTH-BWPKMQGJSA-N 2 0 343.462 2.416 10 0 EEAERP C[C@H]([NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211906 1333045834 /nfs/dbraw/zinc/04/58/34/1333045834.db2.gz UFXYXGNTFJZULU-RGDDUWESSA-N 2 0 333.451 2.491 10 0 EEAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cncc(F)c1)[NH+]1CCCC1 ZINC001321422111 1333101093 /nfs/dbraw/zinc/10/10/93/1333101093.db2.gz YVCVUUJRYOJQPQ-WHLIDYPQSA-N 2 0 348.466 2.103 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001322693871 1333308945 /nfs/dbraw/zinc/30/89/45/1333308945.db2.gz LOKURKNNQJOWQH-HNNXBMFYSA-N 2 0 335.467 2.414 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCc2ccccc2)C2CC2)CC1 ZINC001323068785 1333379709 /nfs/dbraw/zinc/37/97/09/1333379709.db2.gz WYTNZFUBGMLULR-IBGZPJMESA-N 2 0 329.488 2.055 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001324273285 1333646818 /nfs/dbraw/zinc/64/68/18/1333646818.db2.gz JTUMJNBUONDFJN-QGZVFWFLSA-N 2 0 335.517 2.357 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cnc(C)o2)C1 ZINC001326288987 1334060488 /nfs/dbraw/zinc/06/04/88/1334060488.db2.gz PVHVQAKZJXRIEA-SJLPKXTDSA-N 2 0 348.491 2.186 10 0 EEAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH+](C(C)(C)C)CC2)cc(Cl)n1 ZINC001326346713 1334073551 /nfs/dbraw/zinc/07/35/51/1334073551.db2.gz OAQJAYLSPZTPGO-CQSZACIVSA-N 2 0 338.883 2.376 10 0 EEAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001326351485 1334074395 /nfs/dbraw/zinc/07/43/95/1334074395.db2.gz WHDPMISEFSQQGE-ODUNQGDFSA-N 2 0 336.307 2.475 10 0 EEAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001326353510 1334075103 /nfs/dbraw/zinc/07/51/03/1334075103.db2.gz QWIHVURHTKQIFM-KRWDZBQOSA-N 2 0 343.515 2.455 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001327165057 1334238627 /nfs/dbraw/zinc/23/86/27/1334238627.db2.gz ZOGNPCBBLDYQMT-ROUUACIJSA-N 2 0 339.524 2.114 10 0 EEAERP CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCCCF)C2)[NH+](C)C ZINC001330502154 1334860029 /nfs/dbraw/zinc/86/00/29/1334860029.db2.gz OLTLWOKQHFZBEN-INIZCTEOSA-N 2 0 327.488 2.391 10 0 EEAERP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001330953073 1334934008 /nfs/dbraw/zinc/93/40/08/1334934008.db2.gz BTAJDKDBDUKKSS-BBRMVZONSA-N 2 0 336.480 2.008 10 0 EEAERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001330964023 1334936636 /nfs/dbraw/zinc/93/66/36/1334936636.db2.gz YITNCMQYEFSPOX-MRXNPFEDSA-N 2 0 345.487 2.166 10 0 EEAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001331290983 1334991647 /nfs/dbraw/zinc/99/16/47/1334991647.db2.gz TUEPVEWRXWKVIY-ZDUSSCGKSA-N 2 0 335.414 2.250 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCOCC1 ZINC001331485371 1335021812 /nfs/dbraw/zinc/02/18/12/1335021812.db2.gz AXOKHDOPNJUXBF-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001332279630 1335789416 /nfs/dbraw/zinc/78/94/16/1335789416.db2.gz IGBNMMBWNSGYTR-GJZGRUSLSA-N 2 0 327.488 2.483 10 0 EEAERP COCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001332805568 1335910645 /nfs/dbraw/zinc/91/06/45/1335910645.db2.gz HZDVVTSTZHIILI-IRXDYDNUSA-N 2 0 339.524 2.160 10 0 EEAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001480531029 1338309765 /nfs/dbraw/zinc/30/97/65/1338309765.db2.gz SVQNFRIXUWGCCK-UONOGXRCSA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H]1CN(C(=[NH2+])NCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000849094605 1338837850 /nfs/dbraw/zinc/83/78/50/1338837850.db2.gz DALIHBOHOUETCX-MRXNPFEDSA-N 2 0 330.476 2.418 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001436392153 1342069204 /nfs/dbraw/zinc/06/92/04/1342069204.db2.gz UINHCEHPRBZYPV-XUXIUFHCSA-N 2 0 335.414 2.154 10 0 EEAERP CN(CCC[NH2+]Cc1cccc(Cl)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001670223077 1356298446 /nfs/dbraw/zinc/29/84/46/1356298446.db2.gz CRCZOKOLAWNEFX-UHFFFAOYSA-N 2 0 338.883 2.015 10 0 EEAERP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCCCC(F)(F)F)C1 ZINC001500279248 1342129718 /nfs/dbraw/zinc/12/97/18/1342129718.db2.gz CRRPZUDEPSFWOD-HNNXBMFYSA-N 2 0 347.425 2.395 10 0 EEAERP CCC1([NH2+]Cc2cscn2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001502482543 1342195762 /nfs/dbraw/zinc/19/57/62/1342195762.db2.gz CHXPUHZFIBORGJ-HNNXBMFYSA-N 2 0 336.505 2.098 10 0 EEAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001506569567 1342252497 /nfs/dbraw/zinc/25/24/97/1342252497.db2.gz BIALFUDSIJVVCG-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCCOc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)c1 ZINC001565769402 1342561342 /nfs/dbraw/zinc/56/13/42/1342561342.db2.gz AWULOLRSRFMREB-OAHLLOKOSA-N 2 0 337.439 2.390 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC23CC[NH+](CCCCCF)CC3)C1 ZINC001566695302 1342606343 /nfs/dbraw/zinc/60/63/43/1342606343.db2.gz YUNNRGLWPZDKCN-DLBZAZTESA-N 2 0 339.499 2.439 10 0 EEAERP COCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001566956310 1342660644 /nfs/dbraw/zinc/66/06/44/1342660644.db2.gz UXWVJSOCWDURAL-ZWKOTPCHSA-N 2 0 348.491 2.155 10 0 EEAERP Cc1conc1C[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001675920035 1357069926 /nfs/dbraw/zinc/06/99/26/1357069926.db2.gz MHNQYFDCMGRIMG-MRXNPFEDSA-N 2 0 348.491 2.234 10 0 EEAERP CN(CC[NH2+]Cc1cc2ccccc2s1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567604555 1342791295 /nfs/dbraw/zinc/79/12/95/1342791295.db2.gz HHAGOIJYZGODOK-HNNXBMFYSA-N 2 0 331.485 2.401 10 0 EEAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCCCCF ZINC001569846709 1342957568 /nfs/dbraw/zinc/95/75/68/1342957568.db2.gz DMBXYWRBUFHXFL-RDJZCZTQSA-N 2 0 327.488 2.152 10 0 EEAERP Cc1csc(C[NH2+][C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n1 ZINC001570362565 1343061601 /nfs/dbraw/zinc/06/16/01/1343061601.db2.gz XJTHTQJFOXPGTI-HIFRSBDPSA-N 2 0 338.521 2.120 10 0 EEAERP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571561878 1343238087 /nfs/dbraw/zinc/23/80/87/1343238087.db2.gz DMUUBNNZWYMOBL-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCOC)CC1 ZINC001571644430 1343259655 /nfs/dbraw/zinc/25/96/55/1343259655.db2.gz QFSZJLBJGWOLFA-SJLPKXTDSA-N 2 0 339.524 2.114 10 0 EEAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001571654735 1343263870 /nfs/dbraw/zinc/26/38/70/1343263870.db2.gz MBJNEMBHGRPAFO-RUXDESIVSA-N 2 0 335.414 2.392 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676407210 1357147472 /nfs/dbraw/zinc/14/74/72/1357147472.db2.gz OZUWVUOSXHLLGH-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP COCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001676924855 1357242354 /nfs/dbraw/zinc/24/23/54/1357242354.db2.gz BQMBLPRFIVFAJE-SJORKVTESA-N 2 0 339.524 2.162 10 0 EEAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CC(F)(F)C2)CC1)[NH+](C)C ZINC001677575589 1357360804 /nfs/dbraw/zinc/36/08/04/1357360804.db2.gz XXCVZFFAOKBWMU-OAHLLOKOSA-N 2 0 329.435 2.120 10 0 EEAERP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)co1 ZINC001671250695 1353923709 /nfs/dbraw/zinc/92/37/09/1353923709.db2.gz FAGZCGUOOACVEC-HOCLYGCPSA-N 2 0 336.480 2.184 10 0 EEAERP CC[N@@H+]1CCCN(c2nnc([C@@H]3CCCCN3C)n2CC2CC2)CC1 ZINC001650521060 1353968093 /nfs/dbraw/zinc/96/80/93/1353968093.db2.gz XEFVJPDKPZXOKX-KRWDZBQOSA-N 2 0 346.523 2.377 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCOc3ccccc3)CCC2)C1 ZINC001673209550 1354183516 /nfs/dbraw/zinc/18/35/16/1354183516.db2.gz DLIVFGCGQLGVSR-KRWDZBQOSA-N 2 0 345.487 2.036 10 0 EEAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001656905511 1354297951 /nfs/dbraw/zinc/29/79/51/1354297951.db2.gz ZOFJHTMHMUSDMU-GOSISDBHSA-N 2 0 339.524 2.116 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001656909525 1354298905 /nfs/dbraw/zinc/29/89/05/1354298905.db2.gz PNGJILMBNGUPPX-SJORKVTESA-N 2 0 327.488 2.439 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CCc2ccccc2)CC[N@@H+]1C ZINC001660150323 1354404488 /nfs/dbraw/zinc/40/44/88/1354404488.db2.gz PTUHGVSEFMRWGG-RBUKOAKNSA-N 2 0 331.504 2.398 10 0 EEAERP Cc1c(C(=O)NCCC[N@@H+](C)C[C@H]2CC[C@@H](C)O2)ccc2c[nH+]cn21 ZINC001660203707 1354416216 /nfs/dbraw/zinc/41/62/16/1354416216.db2.gz SJKOPEITQGCGQZ-RHSMWYFYSA-N 2 0 344.459 2.262 10 0 EEAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001661421599 1354637207 /nfs/dbraw/zinc/63/72/07/1354637207.db2.gz DUIQBLFHNHUNBV-LNLFQRSKSA-N 2 0 345.487 2.175 10 0 EEAERP CCOCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001661718520 1354679910 /nfs/dbraw/zinc/67/99/10/1354679910.db2.gz LNUNNVSCIXEUQB-QGZVFWFLSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCc1ccccc1Cl ZINC001662415158 1354792977 /nfs/dbraw/zinc/79/29/77/1354792977.db2.gz PTKSAVSLVGRWLJ-GDBMZVCRSA-N 2 0 337.895 2.319 10 0 EEAERP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001662844530 1354862298 /nfs/dbraw/zinc/86/22/98/1354862298.db2.gz HFIOTOHNNCZRLF-QGZVFWFLSA-N 2 0 339.524 2.066 10 0 EEAERP O=C(NCCC[C@H]1CCC[N@H+]1CCF)C12CCC[NH+](CCC1)C2 ZINC001663072158 1354908219 /nfs/dbraw/zinc/90/82/19/1354908219.db2.gz NRMIUGKKVYLNDZ-INIZCTEOSA-N 2 0 325.472 2.193 10 0 EEAERP Cn1cncc1CCC(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC001663120816 1354922085 /nfs/dbraw/zinc/92/20/85/1354922085.db2.gz YLWUQCYMHDLGBM-ULYATVDSSA-N 2 0 338.883 2.466 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001664018548 1355075218 /nfs/dbraw/zinc/07/52/18/1355075218.db2.gz SQCFHBJEFCSODL-HUUCEWRRSA-N 2 0 331.451 2.344 10 0 EEAERP Cc1cncc(C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001664093694 1355091850 /nfs/dbraw/zinc/09/18/50/1355091850.db2.gz XTRJKEHGYSKLMT-UHFFFAOYSA-N 2 0 346.519 2.450 10 0 EEAERP CN(CC[NH2+]CCCC1CCCC1)C(=O)C(C)(C)N1CCOCC1 ZINC001664252973 1355122285 /nfs/dbraw/zinc/12/22/85/1355122285.db2.gz MUNQBLYZCIFXKN-UHFFFAOYSA-N 2 0 339.524 2.116 10 0 EEAERP CN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664309086 1355135104 /nfs/dbraw/zinc/13/51/04/1355135104.db2.gz FPWUOBASSKZJNI-ZDUSSCGKSA-N 2 0 341.858 2.369 10 0 EEAERP COCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001664436800 1355163517 /nfs/dbraw/zinc/16/35/17/1355163517.db2.gz IHOUYSFGNZZQNE-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP COCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001666211676 1355485421 /nfs/dbraw/zinc/48/54/21/1355485421.db2.gz MXLBTYKQNINXSN-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1CC[C@@H](C[NH2+]CCC2CCN(C(=O)CCC[NH+](C)C)CC2)O1 ZINC001666240249 1355493245 /nfs/dbraw/zinc/49/32/45/1355493245.db2.gz KTTPNSUIGMBDOH-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666870933 1355607040 /nfs/dbraw/zinc/60/70/40/1355607040.db2.gz QJPUKNXTTQGHAA-DYVFJYSZSA-N 2 0 339.430 2.038 10 0 EEAERP CC(C)C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001667094901 1355648081 /nfs/dbraw/zinc/64/80/81/1355648081.db2.gz BJZBZVPUSBVGAO-PXTSUWAFSA-N 2 0 327.900 2.488 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001667239368 1355684242 /nfs/dbraw/zinc/68/42/42/1355684242.db2.gz XTRJVYGZMDUPMH-MSOLQXFVSA-N 2 0 348.466 2.176 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001668097427 1355870136 /nfs/dbraw/zinc/87/01/36/1355870136.db2.gz VIHKDLTUVNUWFN-IRXDYDNUSA-N 2 0 332.492 2.249 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001668107606 1355872822 /nfs/dbraw/zinc/87/28/22/1355872822.db2.gz UVUHLCDDHHCJFL-OAHLLOKOSA-N 2 0 348.491 2.097 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001668185564 1355894624 /nfs/dbraw/zinc/89/46/24/1355894624.db2.gz OLDMJWZTGPITSX-WWGRRREGSA-N 2 0 336.480 2.006 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1scnc1C ZINC001668854140 1356024263 /nfs/dbraw/zinc/02/42/63/1356024263.db2.gz PDKBYLLRZOJRRY-MBVDDHJVSA-N 2 0 336.505 2.088 10 0 EEAERP O=C(NC/C=C\C[NH2+]Cc1cc2ccccc2o1)C12CC[NH+](CC1)C2 ZINC001669138381 1356104190 /nfs/dbraw/zinc/10/41/90/1356104190.db2.gz HMDZQURDBFICJO-ARJAWSKDSA-N 2 0 339.439 2.291 10 0 EEAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001669139333 1356104216 /nfs/dbraw/zinc/10/42/16/1356104216.db2.gz NFNPBGHWUWSRCA-NIAAJLDISA-N 2 0 344.503 2.272 10 0 EEAERP Cc1nocc1C[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001669201396 1356124091 /nfs/dbraw/zinc/12/40/91/1356124091.db2.gz PFQDCKMGBCEERU-PLNGDYQASA-N 2 0 342.443 2.120 10 0 EEAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001670270866 1356308122 /nfs/dbraw/zinc/30/81/22/1356308122.db2.gz ATUAMLRLCIYWCA-HNNXBMFYSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1ncoc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672536839 1356548795 /nfs/dbraw/zinc/54/87/95/1356548795.db2.gz DWCGSVJCHVFRQY-SJORKVTESA-N 2 0 348.491 2.280 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCCCCF)C1 ZINC001672537723 1356548984 /nfs/dbraw/zinc/54/89/84/1356548984.db2.gz KICIQRRXABYYMZ-BBWFWOEESA-N 2 0 325.472 2.143 10 0 EEAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2csc(C)n2)C1)[NH+](C)C ZINC001672896752 1356609698 /nfs/dbraw/zinc/60/96/98/1356609698.db2.gz KDAZQMURECWZSZ-GDBMZVCRSA-N 2 0 338.521 2.120 10 0 EEAERP COCC[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001672938821 1356619517 /nfs/dbraw/zinc/61/95/17/1356619517.db2.gz XGJBMJDBCPRHTC-OAHLLOKOSA-N 2 0 333.476 2.084 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001673402133 1356686142 /nfs/dbraw/zinc/68/61/42/1356686142.db2.gz PERSETPVGQGKTC-ZWKOTPCHSA-N 2 0 341.540 2.358 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001673650552 1356726665 /nfs/dbraw/zinc/72/66/65/1356726665.db2.gz KMYRNZAMBBXMKI-SFHVURJKSA-N 2 0 327.488 2.392 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CCC[C@](CO)([NH2+]CCC(C)(C)C)C1 ZINC001673703585 1356737085 /nfs/dbraw/zinc/73/70/85/1356737085.db2.gz JGISUDBFIAPGPY-IBGZPJMESA-N 2 0 341.540 2.098 10 0 EEAERP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001673977521 1356767019 /nfs/dbraw/zinc/76/70/19/1356767019.db2.gz RYVVIYAZOVRVSL-UHFFFAOYSA-N 2 0 339.524 2.114 10 0 EEAERP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001690745321 1404936119 /nfs/dbraw/zinc/93/61/19/1404936119.db2.gz CBFLKAITMAIQQW-KRWDZBQOSA-N 2 0 349.544 2.461 10 0 EEAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001699099307 1405253082 /nfs/dbraw/zinc/25/30/82/1405253082.db2.gz KCWZMEFIJPBNDG-WMZOPIPTSA-N 2 0 332.492 2.247 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCOCC1 ZINC001699112596 1405268669 /nfs/dbraw/zinc/26/86/69/1405268669.db2.gz MRTRLDQBDKIFJM-AEFFLSMTSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](C[NH2+]CCCCc1ccccc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699403664 1405348166 /nfs/dbraw/zinc/34/81/66/1405348166.db2.gz HREXQWPGINRLMR-FXAWDEMLSA-N 2 0 343.515 2.445 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCCCCF)C3)C1 ZINC001699697878 1405452426 /nfs/dbraw/zinc/45/24/26/1405452426.db2.gz ULTWSVQCKUESTD-MJGOQNOKSA-N 2 0 339.499 2.392 10 0 EEAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCOCC1 ZINC001699880297 1405547218 /nfs/dbraw/zinc/54/72/18/1405547218.db2.gz KZEGKSBXMURRSB-KRWDZBQOSA-N 2 0 339.524 2.162 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000918807523 769401347 /nfs/dbraw/zinc/40/13/47/769401347.db2.gz HJBWXYIVEPSLNQ-NJAFHUGGSA-N 2 0 330.476 2.043 10 0 EEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC000907434793 784631245 /nfs/dbraw/zinc/63/12/45/784631245.db2.gz ACJVGJAXXGMLKV-SFHVURJKSA-N 2 0 329.488 2.355 10 0 EEAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000819058632 785379201 /nfs/dbraw/zinc/37/92/01/785379201.db2.gz OLFLENJZAYUNMU-KXBFYZLASA-N 2 0 337.483 2.031 10 0 EEAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000819058630 785379374 /nfs/dbraw/zinc/37/93/74/785379374.db2.gz OLFLENJZAYUNMU-DNVCBOLYSA-N 2 0 337.483 2.031 10 0 EEAERP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000819273293 785503649 /nfs/dbraw/zinc/50/36/49/785503649.db2.gz CRZOETPMZRPIFO-VQIMIIECSA-N 2 0 329.419 2.366 10 0 EEAERP O=C(N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000911573303 787548339 /nfs/dbraw/zinc/54/83/39/787548339.db2.gz KUSIDNCFOAUMAM-OALUTQOASA-N 2 0 339.483 2.350 10 0 EEAERP COc1nccnc1C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000823944349 787995151 /nfs/dbraw/zinc/99/51/51/787995151.db2.gz YENHLLBXBDEOSE-UHFFFAOYSA-N 2 0 341.459 2.310 10 0 EEAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000912650645 788282132 /nfs/dbraw/zinc/28/21/32/788282132.db2.gz OTPOQULKNKTTGW-YJBOKZPZSA-N 2 0 332.492 2.478 10 0 EEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711342512 788726517 /nfs/dbraw/zinc/72/65/17/788726517.db2.gz MKCOLTRYXJGBRO-KBAYOESNSA-N 2 0 329.488 2.259 10 0 EEAERP c1ccc(C[N@H+]2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000844401583 789069217 /nfs/dbraw/zinc/06/92/17/789069217.db2.gz MXYILVFLIDRXDZ-VQTJNVASSA-N 2 0 329.488 2.058 10 0 EEAERP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923458094 789574891 /nfs/dbraw/zinc/57/48/91/789574891.db2.gz LOEJBYNWFSMHJS-CRAIPNDOSA-N 2 0 345.487 2.406 10 0 EEAERP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923458098 789575538 /nfs/dbraw/zinc/57/55/38/789575538.db2.gz LOEJBYNWFSMHJS-QAPCUYQASA-N 2 0 345.487 2.406 10 0 EEAERP c1ccc(C(OCCN2CC[NH2+]CC[NH2+]CC2)c2ccccc2)cc1 ZINC000923464649 789590170 /nfs/dbraw/zinc/59/01/70/789590170.db2.gz PVBGUUVDLDWNAW-UHFFFAOYSA-N 2 0 339.483 2.287 10 0 EEAERP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923497426 789672207 /nfs/dbraw/zinc/67/22/07/789672207.db2.gz LOYFYJQAQZQXSU-APWZRJJASA-N 2 0 347.503 2.145 10 0 EEAERP COc1ccc([C@@H](NC(=O)CN2C[C@@H](C[NH3+])[C@H](C)C2)C(C)C)cc1 ZINC000923513362 789715158 /nfs/dbraw/zinc/71/51/58/789715158.db2.gz QTSHTTGSUUFWBV-OGWOLHLISA-N 2 0 333.476 2.035 10 0 EEAERP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921604249 789826512 /nfs/dbraw/zinc/82/65/12/789826512.db2.gz QBPMJWMBKIBEHV-QXAKKESOSA-N 2 0 344.503 2.128 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000913891074 794490666 /nfs/dbraw/zinc/49/06/66/794490666.db2.gz IORNBVHNLDWTMQ-QLFBSQMISA-N 2 0 336.505 2.277 10 0 EEAERP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000914150221 795003032 /nfs/dbraw/zinc/00/30/32/795003032.db2.gz MINYNGRPMXEAMY-KSZLIROESA-N 2 0 345.491 2.000 10 0 EEAERP OC1CCN(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716668465 796405819 /nfs/dbraw/zinc/40/58/19/796405819.db2.gz KLEOAUJNUFSIQZ-UFYCRDLUSA-N 2 0 343.515 2.086 10 0 EEAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@]3(O)CCC[NH+](C)C3)c2C1 ZINC000901153387 797152925 /nfs/dbraw/zinc/15/29/25/797152925.db2.gz WGPKDVOBXXMPSW-HXUWFJFHSA-N 2 0 345.487 2.444 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000917598104 798291348 /nfs/dbraw/zinc/29/13/48/798291348.db2.gz YSZHWPBCDHXXGZ-MSOLQXFVSA-N 2 0 348.560 2.108 10 0 EEAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCc2cccs2)C1 ZINC001565971751 1125478589 /nfs/dbraw/zinc/47/85/89/1125478589.db2.gz LHZHDPCBJYJOIH-CVEARBPZSA-N 2 0 337.533 2.459 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1cnccn1 ZINC001566562700 1125736724 /nfs/dbraw/zinc/73/67/24/1125736724.db2.gz JSVOMAHVTVAZHO-ULQDDVLXSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1cccnc1C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566594737 1125786372 /nfs/dbraw/zinc/78/63/72/1125786372.db2.gz XNHKVAREMNDAFS-IBGZPJMESA-N 2 0 344.503 2.345 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCc2ccccc2)C2CC2)C1 ZINC001436814367 1088406941 /nfs/dbraw/zinc/40/69/41/1088406941.db2.gz ZBUSTCAFQOTJHM-LPHOPBHVSA-N 2 0 329.488 2.055 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)Cc2cncs2)C1 ZINC001436844301 1088482391 /nfs/dbraw/zinc/48/23/91/1088482391.db2.gz GMJWWRZLGUJNGR-OAHLLOKOSA-N 2 0 338.521 2.155 10 0 EEAERP CCCc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2)o1 ZINC001436961777 1088652007 /nfs/dbraw/zinc/65/20/07/1088652007.db2.gz ARUSXEMRQQSDPU-ZNMIVQPWSA-N 2 0 336.480 2.013 10 0 EEAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001437030894 1088850293 /nfs/dbraw/zinc/85/02/93/1088850293.db2.gz BHCCJNOCZHKUKD-DLBZAZTESA-N 2 0 339.524 2.114 10 0 EEAERP Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCCN2C(=O)CC[NH+](C)C)on1 ZINC001437060587 1088964393 /nfs/dbraw/zinc/96/43/93/1088964393.db2.gz WYUUEJLCQCVHNO-ROUUACIJSA-N 2 0 348.491 2.280 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001437162325 1089172878 /nfs/dbraw/zinc/17/28/78/1089172878.db2.gz ZYAOSAVXKYTLJK-GUYCJALGSA-N 2 0 339.430 2.434 10 0 EEAERP Cc1c(C(=O)NC[C@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)ccc2c[nH+]cn21 ZINC001437167311 1089186692 /nfs/dbraw/zinc/18/66/92/1089186692.db2.gz MMJZFNNBWCPOQK-XJKSGUPXSA-N 2 0 344.459 2.166 10 0 EEAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)cs1 ZINC001437379248 1089625523 /nfs/dbraw/zinc/62/55/23/1089625523.db2.gz GQHODYWZBQSVQZ-DZGCQCFKSA-N 2 0 338.521 2.310 10 0 EEAERP COc1cc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001437404936 1089679751 /nfs/dbraw/zinc/67/97/51/1089679751.db2.gz UFXUTKPSUGUUGL-NVXWUHKLSA-N 2 0 347.503 2.330 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001437424009 1089711027 /nfs/dbraw/zinc/71/10/27/1089711027.db2.gz AFYBULONVMDVDV-AEFFLSMTSA-N 2 0 332.492 2.249 10 0 EEAERP COc1cc(C[N@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ccc1C ZINC001437567613 1090047943 /nfs/dbraw/zinc/04/79/43/1090047943.db2.gz XPVSPSJEEDDYGA-IAGOWNOFSA-N 2 0 347.503 2.424 10 0 EEAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001437787281 1090374765 /nfs/dbraw/zinc/37/47/65/1090374765.db2.gz XEFOTIFAKUUCSE-LJQANCHMSA-N 2 0 333.520 2.489 10 0 EEAERP C[C@H]([NH2+]Cc1ncc(C2CC2)o1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437845866 1090429208 /nfs/dbraw/zinc/42/92/08/1090429208.db2.gz BXEFLTVUBCQFST-AWEZNQCLSA-N 2 0 348.491 2.220 10 0 EEAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001437902726 1090483556 /nfs/dbraw/zinc/48/35/56/1090483556.db2.gz IFWKSUDJWLKKBH-MSOLQXFVSA-N 2 0 344.503 2.155 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001437928958 1090522103 /nfs/dbraw/zinc/52/21/03/1090522103.db2.gz HBYRVMHTEZURCP-QAPCUYQASA-N 2 0 348.466 2.033 10 0 EEAERP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2cc(C)ns2)C1 ZINC001437943979 1090538152 /nfs/dbraw/zinc/53/81/52/1090538152.db2.gz BVYYABBQHQPPNT-OAHLLOKOSA-N 2 0 338.521 2.122 10 0 EEAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001437948964 1090546321 /nfs/dbraw/zinc/54/63/21/1090546321.db2.gz XAQMTKCUILSHNC-SJORKVTESA-N 2 0 327.488 2.295 10 0 EEAERP C[N@H+](CCC(F)(F)F)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437980191 1090572068 /nfs/dbraw/zinc/57/20/68/1090572068.db2.gz UDJHNWCJJBLJCO-KGLIPLIRSA-N 2 0 335.414 2.203 10 0 EEAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CCc2ccccc2F)CC1 ZINC001438003469 1090601207 /nfs/dbraw/zinc/60/12/07/1090601207.db2.gz CPYOVURZTDDWOE-UHFFFAOYSA-N 2 0 349.494 2.490 10 0 EEAERP Cc1csc(C[N@@H+](C)CC2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001438003475 1090601737 /nfs/dbraw/zinc/60/17/37/1090601737.db2.gz CXJVRIRVGNNDGE-UHFFFAOYSA-N 2 0 338.521 2.074 10 0 EEAERP Cc1cc(C[NH+]2CC(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)cs1 ZINC001438155989 1090670653 /nfs/dbraw/zinc/67/06/53/1090670653.db2.gz DSIYQICVMMTFGT-KBPBESRZSA-N 2 0 335.517 2.477 10 0 EEAERP COCc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001438184809 1090688151 /nfs/dbraw/zinc/68/81/51/1090688151.db2.gz YWUVEGQKCJSJGL-SFHVURJKSA-N 2 0 345.487 2.008 10 0 EEAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001438266842 1090749554 /nfs/dbraw/zinc/74/95/54/1090749554.db2.gz AZABAVQXWGUPNT-SFHVURJKSA-N 2 0 333.451 2.344 10 0 EEAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cnc(C)nc1 ZINC001438335835 1090810473 /nfs/dbraw/zinc/81/04/73/1090810473.db2.gz ACUBYGADLLZCLG-CRAIPNDOSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC001438399425 1090886826 /nfs/dbraw/zinc/88/68/26/1090886826.db2.gz XHNXVQBUPXMFOB-IRXDYDNUSA-N 2 0 344.503 2.473 10 0 EEAERP Cc1cccnc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001438430608 1090929538 /nfs/dbraw/zinc/92/95/38/1090929538.db2.gz BTFWTEUCQNGBOR-YLJYHZDGSA-N 2 0 346.519 2.496 10 0 EEAERP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001438520835 1091013159 /nfs/dbraw/zinc/01/31/59/1091013159.db2.gz NRYVFXATJCQEIA-HZPDHXFCSA-N 2 0 347.503 2.440 10 0 EEAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cc(Cl)ccc1F ZINC001438544537 1091036365 /nfs/dbraw/zinc/03/63/65/1091036365.db2.gz LEVYEDQAWWZUTP-CYBMUJFWSA-N 2 0 341.858 2.417 10 0 EEAERP C[C@@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438678114 1091172203 /nfs/dbraw/zinc/17/22/03/1091172203.db2.gz DIESQTJHVKEINX-SJORKVTESA-N 2 0 346.519 2.031 10 0 EEAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001438686466 1091186459 /nfs/dbraw/zinc/18/64/59/1091186459.db2.gz UYENFDFCZGMKEK-UXLLHSPISA-N 2 0 335.467 2.493 10 0 EEAERP COCc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001445448783 1091210835 /nfs/dbraw/zinc/21/08/35/1091210835.db2.gz HENOUBDKWLTGBT-MRXNPFEDSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438723660 1091252440 /nfs/dbraw/zinc/25/24/40/1091252440.db2.gz QQJKZQLKFLDUAN-QAPCUYQASA-N 2 0 340.471 2.123 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)C[NH+]1CCCC1 ZINC001445501324 1091278879 /nfs/dbraw/zinc/27/88/79/1091278879.db2.gz OEEYRMLRDIPAHJ-PXAZEXFGSA-N 2 0 337.414 2.142 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001445546481 1091315219 /nfs/dbraw/zinc/31/52/19/1091315219.db2.gz KUKBZUHOMDPWKG-UCLAIMLFSA-N 2 0 342.487 2.493 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C2CC2)no1)[NH+]1CCCC1 ZINC001445660817 1091448366 /nfs/dbraw/zinc/44/83/66/1091448366.db2.gz WSTZHCWXTREJKT-KBXCAEBGSA-N 2 0 348.491 2.267 10 0 EEAERP COc1cccc(C[N@H+](C)CCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1C ZINC001438930576 1091610281 /nfs/dbraw/zinc/61/02/81/1091610281.db2.gz YBEFOTYAOAXIHB-KRWDZBQOSA-N 2 0 347.503 2.236 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CCC[C@@H]1CCOC1 ZINC001438939738 1091625557 /nfs/dbraw/zinc/62/55/57/1091625557.db2.gz UVYJVKIUSRMFFC-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[C@H](C[N@H+](C)CCc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445865560 1091786308 /nfs/dbraw/zinc/78/63/08/1091786308.db2.gz GNMFTBTVKXEFSJ-GDBMZVCRSA-N 2 0 337.895 2.271 10 0 EEAERP CCc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001445871421 1091796259 /nfs/dbraw/zinc/79/62/59/1091796259.db2.gz PUIABDAXHJHCIC-QFBILLFUSA-N 2 0 331.504 2.180 10 0 EEAERP C[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439180089 1091828330 /nfs/dbraw/zinc/82/83/30/1091828330.db2.gz VPXMRURREXPHBF-OCCSQVGLSA-N 2 0 343.393 2.251 10 0 EEAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CC3(CCC3)C2)C2CC2)CC1 ZINC001445973643 1091929305 /nfs/dbraw/zinc/92/93/05/1091929305.db2.gz ZNGPFKMBJAHGJI-GOSISDBHSA-N 2 0 333.520 2.393 10 0 EEAERP C[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276860 1092427856 /nfs/dbraw/zinc/42/78/56/1092427856.db2.gz NBTTUUWNQDYJCO-KGLIPLIRSA-N 2 0 348.491 2.223 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001446317511 1092506383 /nfs/dbraw/zinc/50/63/83/1092506383.db2.gz OUAKXLAPONHNHH-FQBWVUSXSA-N 2 0 333.520 2.440 10 0 EEAERP CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001439925928 1093004727 /nfs/dbraw/zinc/00/47/27/1093004727.db2.gz QGXXEMUQCRSJIC-HZPDHXFCSA-N 2 0 327.488 2.295 10 0 EEAERP CC[C@@H](F)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001439937949 1093033144 /nfs/dbraw/zinc/03/31/44/1093033144.db2.gz ZRHHAPRQXLIBQK-CRAIPNDOSA-N 2 0 327.488 2.437 10 0 EEAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2nocc2C)C1 ZINC001440129845 1093194480 /nfs/dbraw/zinc/19/44/80/1093194480.db2.gz WKZYNQKFVCUOHG-CVEARBPZSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C)co1 ZINC001440133197 1093198966 /nfs/dbraw/zinc/19/89/66/1093198966.db2.gz FZEPSTVBJABXGK-RDJZCZTQSA-N 2 0 348.491 2.043 10 0 EEAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3ccccc3F)C[C@H]21)[NH+](C)C ZINC001448473981 1093490815 /nfs/dbraw/zinc/49/08/15/1093490815.db2.gz WZUVBZJXMAUOAQ-VXIBKDFQSA-N 2 0 347.478 2.002 10 0 EEAERP CC[C@H](F)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001448489257 1093515639 /nfs/dbraw/zinc/51/56/39/1093515639.db2.gz OPSVQYUFDPTPAV-RYQLBKOJSA-N 2 0 327.488 2.247 10 0 EEAERP Cc1cccnc1C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001448550998 1093593430 /nfs/dbraw/zinc/59/34/30/1093593430.db2.gz OHUQRRRWVPSGKN-KZNAEPCWSA-N 2 0 346.519 2.351 10 0 EEAERP CN(CCC[N@H+](C)Cc1cncs1)C(=O)C12CCC[NH+]1CCC2 ZINC001440440079 1093647772 /nfs/dbraw/zinc/64/77/72/1093647772.db2.gz DEMFNIOYEMTPQP-UHFFFAOYSA-N 2 0 336.505 2.052 10 0 EEAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC001440446799 1093657926 /nfs/dbraw/zinc/65/79/26/1093657926.db2.gz HDDBGAVDDASHDQ-ZWKOTPCHSA-N 2 0 349.523 2.193 10 0 EEAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001440475549 1093705048 /nfs/dbraw/zinc/70/50/48/1093705048.db2.gz SWQRDILFOVVAJM-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1OC1CC1 ZINC001440497719 1093736909 /nfs/dbraw/zinc/73/69/09/1093736909.db2.gz OAGAOUMJHLPMLE-QAPCUYQASA-N 2 0 345.487 2.259 10 0 EEAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001448780279 1093860420 /nfs/dbraw/zinc/86/04/20/1093860420.db2.gz YORPIPOHJRYEPA-NVXWUHKLSA-N 2 0 342.487 2.446 10 0 EEAERP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001440598970 1093863290 /nfs/dbraw/zinc/86/32/90/1093863290.db2.gz ZCNPNEVZMSVATH-WBMJQRKESA-N 2 0 338.521 2.037 10 0 EEAERP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@@H]1[N@H+](C[C@H]1CCOC1)CC2 ZINC001449014908 1094016648 /nfs/dbraw/zinc/01/66/48/1094016648.db2.gz NUSZVUXNFXYGIA-HBFSDRIKSA-N 2 0 349.519 2.012 10 0 EEAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001440791799 1094032866 /nfs/dbraw/zinc/03/28/66/1094032866.db2.gz RJXUVBSYEPLPLZ-UONOGXRCSA-N 2 0 336.480 2.230 10 0 EEAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC001449093826 1094104552 /nfs/dbraw/zinc/10/45/52/1094104552.db2.gz UUJYICSAXYSOAS-KRWDZBQOSA-N 2 0 335.467 2.494 10 0 EEAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC001449095405 1094105719 /nfs/dbraw/zinc/10/57/19/1094105719.db2.gz OQZVVDSHUBWOEC-INIZCTEOSA-N 2 0 339.430 2.243 10 0 EEAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2cc(C)no2)CCCCC1)[NH+](C)C ZINC001441100464 1094405493 /nfs/dbraw/zinc/40/54/93/1094405493.db2.gz JLOXRPMBKOGEPT-MRXNPFEDSA-N 2 0 336.480 2.232 10 0 EEAERP O=C(NC[C@@H]([NH2+]Cc1cncs1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001441216094 1094580847 /nfs/dbraw/zinc/58/08/47/1094580847.db2.gz VKYJIWJIBMJLLW-MRXNPFEDSA-N 2 0 348.516 2.004 10 0 EEAERP C[NH+]1CCC(OCC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001441257539 1094655617 /nfs/dbraw/zinc/65/56/17/1094655617.db2.gz SRXRJXFAVZRQRP-QGZVFWFLSA-N 2 0 339.524 2.018 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccnc1)C1CC1)[NH+]1CCCC1 ZINC001441294104 1094730366 /nfs/dbraw/zinc/73/03/66/1094730366.db2.gz HLLGVQOFUAHWOP-RTBURBONSA-N 2 0 344.503 2.186 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001441438169 1095051289 /nfs/dbraw/zinc/05/12/89/1095051289.db2.gz XLEISZNTHMYRQJ-OALUTQOASA-N 2 0 344.503 2.283 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001441468180 1095128523 /nfs/dbraw/zinc/12/85/23/1095128523.db2.gz IQASARWPJYHPHC-LPHOPBHVSA-N 2 0 344.503 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC001441482613 1095155672 /nfs/dbraw/zinc/15/56/72/1095155672.db2.gz TXFOMNSFXUEUSA-MOPGFXCFSA-N 2 0 344.503 2.236 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001441686397 1095668106 /nfs/dbraw/zinc/66/81/06/1095668106.db2.gz MKNRWEZETOCRIK-GDBMZVCRSA-N 2 0 336.480 2.040 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cs1 ZINC001441899433 1096053115 /nfs/dbraw/zinc/05/31/15/1096053115.db2.gz MVLDXCZWRIEJDC-HUUCEWRRSA-N 2 0 338.521 2.166 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001441929021 1096115413 /nfs/dbraw/zinc/11/54/13/1096115413.db2.gz LWGJAHGZFCGYDP-CVEARBPZSA-N 2 0 327.488 2.293 10 0 EEAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc2cccnc21 ZINC001441953376 1096153042 /nfs/dbraw/zinc/15/30/42/1096153042.db2.gz RHYLUJNXGVZYRA-HZPDHXFCSA-N 2 0 340.471 2.171 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001442006638 1096208850 /nfs/dbraw/zinc/20/88/50/1096208850.db2.gz HORBUMNWOYCVIW-WMZOPIPTSA-N 2 0 341.499 2.297 10 0 EEAERP Cc1cncc(C[NH+]2CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001442216605 1096509594 /nfs/dbraw/zinc/50/95/94/1096509594.db2.gz ZTIPNQVXQUERQX-QGZVFWFLSA-N 2 0 346.519 2.449 10 0 EEAERP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001442257750 1096559160 /nfs/dbraw/zinc/55/91/60/1096559160.db2.gz XKJYGPOJNNMVNQ-UHFFFAOYSA-N 2 0 344.503 2.119 10 0 EEAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)c(OC)c2)C1)[NH+](C)C ZINC001442263110 1096567545 /nfs/dbraw/zinc/56/75/45/1096567545.db2.gz TXOCBVMOVFNSLS-DAWZGUTISA-N 2 0 347.503 2.423 10 0 EEAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001442691265 1097058954 /nfs/dbraw/zinc/05/89/54/1097058954.db2.gz YIROUSLHKVYQML-HNNXBMFYSA-N 2 0 329.448 2.365 10 0 EEAERP CCC[N@H+](CCNC(=O)Cn1ccnc1C)C[C@H]1CCC(F)(F)C1 ZINC001442971126 1097394879 /nfs/dbraw/zinc/39/48/79/1097394879.db2.gz DGZKSLCBVNJTHD-HNNXBMFYSA-N 2 0 342.434 2.455 10 0 EEAERP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001443072822 1097484466 /nfs/dbraw/zinc/48/44/66/1097484466.db2.gz BEOHDZJMWOFISB-VQIMIIECSA-N 2 0 329.488 2.446 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1 ZINC001443133109 1097558539 /nfs/dbraw/zinc/55/85/39/1097558539.db2.gz REPWRMMRHNLVHG-QZTJIDSGSA-N 2 0 347.503 2.200 10 0 EEAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001443271468 1097754133 /nfs/dbraw/zinc/75/41/33/1097754133.db2.gz MSEGHUGFEPLMPC-MRXNPFEDSA-N 2 0 335.517 2.215 10 0 EEAERP COc1cccc(C[NH+]2CC(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001443655759 1098153997 /nfs/dbraw/zinc/15/39/97/1098153997.db2.gz XJMBCFJLXGUJLR-IYBDPMFKSA-N 2 0 345.487 2.116 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001443821702 1098324479 /nfs/dbraw/zinc/32/44/79/1098324479.db2.gz YSHIDDCDRUJTAU-MSOLQXFVSA-N 2 0 335.467 2.399 10 0 EEAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC001479486147 1098561006 /nfs/dbraw/zinc/56/10/06/1098561006.db2.gz AKUYRKBRXKXRJF-OWCLPIDISA-N 2 0 336.480 2.260 10 0 EEAERP CC[C@@H](C(=O)NC1(C[NH2+]Cc2cncc(F)c2)CCCC1)[NH+](C)C ZINC001444076912 1098603925 /nfs/dbraw/zinc/60/39/25/1098603925.db2.gz AEDRHAIVWKFPSZ-INIZCTEOSA-N 2 0 336.455 2.080 10 0 EEAERP CCn1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)CC[N@H+](C)CC)C2)n1 ZINC001479691398 1098754202 /nfs/dbraw/zinc/75/42/02/1098754202.db2.gz JFHLCKGVZYZEGD-GOSISDBHSA-N 2 0 349.523 2.106 10 0 EEAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)[C@@H]1C)[NH+](CC)CC ZINC001479717400 1098800994 /nfs/dbraw/zinc/80/09/94/1098800994.db2.gz HOTWIRQMRBANJJ-BPQIPLTHSA-N 2 0 332.492 2.281 10 0 EEAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cc(F)ccc1F ZINC001479808560 1099057951 /nfs/dbraw/zinc/05/79/51/1099057951.db2.gz HNDCZCBQHLJODY-AWEZNQCLSA-N 2 0 339.430 2.245 10 0 EEAERP CC[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001479860720 1099172811 /nfs/dbraw/zinc/17/28/11/1099172811.db2.gz QXEWUQOPFAWQSI-BQHJZSHBSA-N 2 0 329.488 2.480 10 0 EEAERP O=C(NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1)C12CC[NH+](CC1)C2 ZINC001444536620 1099309929 /nfs/dbraw/zinc/30/99/29/1099309929.db2.gz QWWICESFSQDLJD-QGZVFWFLSA-N 2 0 349.519 2.060 10 0 EEAERP Cc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001444647835 1099479768 /nfs/dbraw/zinc/47/97/68/1099479768.db2.gz GOWOWWHTZIXKBY-CYBMUJFWSA-N 2 0 338.521 2.262 10 0 EEAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001480045113 1099549567 /nfs/dbraw/zinc/54/95/67/1099549567.db2.gz UWVYTNXDZJRTHB-QZTJIDSGSA-N 2 0 333.451 2.249 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444760068 1099646739 /nfs/dbraw/zinc/64/67/39/1099646739.db2.gz NLLWYYYPJXQISC-PKOBYXMFSA-N 2 0 346.519 2.352 10 0 EEAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001480167470 1099742750 /nfs/dbraw/zinc/74/27/50/1099742750.db2.gz LXCGABZJAUKULX-QAETUUGQSA-N 2 0 327.488 2.483 10 0 EEAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480219670 1099837524 /nfs/dbraw/zinc/83/75/24/1099837524.db2.gz IBNHHYCSRJRBLK-CBZIJGRNSA-N 2 0 337.508 2.055 10 0 EEAERP COCc1cccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001444857478 1099845798 /nfs/dbraw/zinc/84/57/98/1099845798.db2.gz FSAFCTFRGVYOAH-MOPGFXCFSA-N 2 0 347.503 2.158 10 0 EEAERP CC(C)COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480226288 1099846435 /nfs/dbraw/zinc/84/64/35/1099846435.db2.gz LZRNJSGTOVZBGL-KSZLIROESA-N 2 0 339.524 2.159 10 0 EEAERP Cc1ccncc1C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001444912463 1099987511 /nfs/dbraw/zinc/98/75/11/1099987511.db2.gz PPALGHQAQQVQAX-MSOLQXFVSA-N 2 0 332.492 2.105 10 0 EEAERP CO[C@H](C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C)C1CCC1 ZINC001444978537 1100105370 /nfs/dbraw/zinc/10/53/70/1100105370.db2.gz DIFFFYWJZOOYFX-QZTJIDSGSA-N 2 0 339.524 2.065 10 0 EEAERP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1)c1cnc[nH]1 ZINC001480364647 1100138387 /nfs/dbraw/zinc/13/83/87/1100138387.db2.gz ACBPPUMSZBIDKY-HZPDHXFCSA-N 2 0 348.491 2.085 10 0 EEAERP Cc1ccncc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383566 1100178811 /nfs/dbraw/zinc/17/88/11/1100178811.db2.gz QAVUIFIQUUXALL-SJORKVTESA-N 2 0 332.492 2.058 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2conc2C)C1 ZINC001480386475 1100187693 /nfs/dbraw/zinc/18/76/93/1100187693.db2.gz MLGGRLQWXZGWPW-GDBMZVCRSA-N 2 0 336.480 2.042 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001480464013 1100269606 /nfs/dbraw/zinc/26/96/06/1100269606.db2.gz LSGVHTXBVZCZFK-UIAACRFSSA-N 2 0 343.515 2.500 10 0 EEAERP C[C@@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496205833 1100747240 /nfs/dbraw/zinc/74/72/40/1100747240.db2.gz DOGHLHYOPPHPGI-ZDUSSCGKSA-N 2 0 335.414 2.251 10 0 EEAERP CN1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229657 1100918675 /nfs/dbraw/zinc/91/86/75/1100918675.db2.gz JOCKJAXYIVLORU-QUCCMNQESA-N 2 0 349.519 2.082 10 0 EEAERP CC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC[NH+](CCF)CC1 ZINC001446655121 1101175109 /nfs/dbraw/zinc/17/51/09/1101175109.db2.gz WCNAMAXTKABANG-JKSUJKDBSA-N 2 0 325.472 2.191 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CC3CCC3)CCC2(F)F)C1 ZINC001446727591 1101302392 /nfs/dbraw/zinc/30/23/92/1101302392.db2.gz QASKKEFZVZGXRA-HOTGVXAUSA-N 2 0 343.462 2.202 10 0 EEAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]Cc1ccsc1 ZINC001495691553 1101444093 /nfs/dbraw/zinc/44/40/93/1101444093.db2.gz OPFNIOMHXMNVNI-HNNXBMFYSA-N 2 0 335.517 2.466 10 0 EEAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001495730563 1101495461 /nfs/dbraw/zinc/49/54/61/1101495461.db2.gz SMVGPRZNEFWALP-CABCVRRESA-N 2 0 345.478 2.496 10 0 EEAERP COc1ccc(C)cc1C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001496816956 1101523876 /nfs/dbraw/zinc/52/38/76/1101523876.db2.gz QAJXKWLLQFXLIM-KRWDZBQOSA-N 2 0 347.503 2.236 10 0 EEAERP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001446938599 1101624094 /nfs/dbraw/zinc/62/40/94/1101624094.db2.gz NEJMXQKFYZZZRP-VQIMIIECSA-N 2 0 346.519 2.367 10 0 EEAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nccs1)[NH+]1CCCC1 ZINC001495817316 1101638337 /nfs/dbraw/zinc/63/83/37/1101638337.db2.gz YHSTXEIJVSVKMC-GDBMZVCRSA-N 2 0 338.521 2.105 10 0 EEAERP Cc1nc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001496923369 1101724927 /nfs/dbraw/zinc/72/49/27/1101724927.db2.gz MXBCTOVBVLSUIU-GOEBONIOSA-N 2 0 338.521 2.166 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001496924726 1101726539 /nfs/dbraw/zinc/72/65/39/1101726539.db2.gz RCOUMLJACQIODI-NVXWUHKLSA-N 2 0 348.491 2.267 10 0 EEAERP C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204165 1102123785 /nfs/dbraw/zinc/12/37/85/1102123785.db2.gz BKWBFNRVIUNGBG-UONOGXRCSA-N 2 0 331.451 2.391 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C)s1 ZINC001497334193 1102342835 /nfs/dbraw/zinc/34/28/35/1102342835.db2.gz WXPODBKOJVIQDV-ZFWWWQNUSA-N 2 0 338.521 2.310 10 0 EEAERP Cc1ncc(C[NH+]2CCC[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001447313471 1102431372 /nfs/dbraw/zinc/43/13/72/1102431372.db2.gz XNQPRFMNQCSYDK-SJORKVTESA-N 2 0 348.491 2.328 10 0 EEAERP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001497485452 1102562971 /nfs/dbraw/zinc/56/29/71/1102562971.db2.gz CNTVPVGRFWZSIX-HNNXBMFYSA-N 2 0 333.451 2.421 10 0 EEAERP CCN(CC[NH2+][C@H](C)c1cnc(C)cn1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497500562 1102587420 /nfs/dbraw/zinc/58/74/20/1102587420.db2.gz IOSSHFUYLULUIX-SJLPKXTDSA-N 2 0 347.507 2.159 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1F ZINC001497550264 1102654151 /nfs/dbraw/zinc/65/41/51/1102654151.db2.gz YHQRWANIDMZXNV-YPQKKHBXSA-N 2 0 339.842 2.335 10 0 EEAERP COc1cc(C[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)ccc1C ZINC001447545549 1102833197 /nfs/dbraw/zinc/83/31/97/1102833197.db2.gz BOKVTSLKYMJCCR-UHFFFAOYSA-N 2 0 347.503 2.426 10 0 EEAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1F ZINC001447684488 1103113435 /nfs/dbraw/zinc/11/34/35/1103113435.db2.gz HKFDWYWBOHVESD-DOTOQJQBSA-N 2 0 335.467 2.460 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCOc2ccc(C)cc2)CC[N@@H+]1C ZINC001497817164 1103143828 /nfs/dbraw/zinc/14/38/28/1103143828.db2.gz DKDXUOYWMWSZMP-NZSAHSFTSA-N 2 0 347.503 2.198 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001447746716 1103223637 /nfs/dbraw/zinc/22/36/37/1103223637.db2.gz ILRYONFYUAUMJG-KRWDZBQOSA-N 2 0 349.523 2.061 10 0 EEAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC2CCOCC2)CC1 ZINC001497953265 1103405176 /nfs/dbraw/zinc/40/51/76/1103405176.db2.gz SGYIVPLTQOBLOU-MRXNPFEDSA-N 2 0 339.524 2.018 10 0 EEAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCc1ccsc1 ZINC001448015715 1103808608 /nfs/dbraw/zinc/80/86/08/1103808608.db2.gz NKXQAJRXMZNOEU-YJBOKZPZSA-N 2 0 349.544 2.459 10 0 EEAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001494727149 1104309734 /nfs/dbraw/zinc/30/97/34/1104309734.db2.gz COHZSYBLEMROAE-ROUUACIJSA-N 2 0 339.524 2.255 10 0 EEAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001480647356 1106815848 /nfs/dbraw/zinc/81/58/48/1106815848.db2.gz ZSMRBXWHHFEUMU-HKUYNNGSSA-N 2 0 333.520 2.347 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001480677179 1106864367 /nfs/dbraw/zinc/86/43/67/1106864367.db2.gz QWLAOWWXGFHFLQ-MRXNPFEDSA-N 2 0 335.467 2.496 10 0 EEAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480696759 1106904215 /nfs/dbraw/zinc/90/42/15/1106904215.db2.gz ARSBBUPYAABQRM-DLBZAZTESA-N 2 0 336.455 2.080 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccnc1)[NH+]1CCCCC1 ZINC001498197648 1107064187 /nfs/dbraw/zinc/06/41/87/1107064187.db2.gz TYVJEMRPZWSTNJ-FUHWJXTLSA-N 2 0 332.492 2.186 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C(C)C)n1)[NH+]1CCCC1 ZINC001498198403 1107065991 /nfs/dbraw/zinc/06/59/91/1107065991.db2.gz KVBLRDGUQOHQNM-FUHWJXTLSA-N 2 0 349.523 2.179 10 0 EEAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C)c(F)c1 ZINC001493044225 1107380797 /nfs/dbraw/zinc/38/07/97/1107380797.db2.gz YIRSJGNEQFUQAE-UHFFFAOYSA-N 2 0 333.451 2.168 10 0 EEAERP C[C@@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498450278 1107555040 /nfs/dbraw/zinc/55/50/40/1107555040.db2.gz LUOKWKIZVASLIL-RDJZCZTQSA-N 2 0 335.467 2.147 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]Cc2cnccc2C)C1 ZINC001498599782 1107785973 /nfs/dbraw/zinc/78/59/73/1107785973.db2.gz CRGVRRBPBUEXHJ-GOSISDBHSA-N 2 0 346.519 2.450 10 0 EEAERP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001498776593 1108079455 /nfs/dbraw/zinc/07/94/55/1108079455.db2.gz ZGSFEYSYTSUBEA-RBUKOAKNSA-N 2 0 344.503 2.249 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493664705 1108477103 /nfs/dbraw/zinc/47/71/03/1108477103.db2.gz PENSCZLOMPCDSR-XLIONFOSSA-N 2 0 343.515 2.324 10 0 EEAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1Cc1ccc(C)nc1C ZINC001499102252 1108587859 /nfs/dbraw/zinc/58/78/59/1108587859.db2.gz PLYPNVIJBLBCPY-SFHVURJKSA-N 2 0 332.492 2.121 10 0 EEAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001466254439 1110432361 /nfs/dbraw/zinc/43/23/61/1110432361.db2.gz UEFIPPNEJUMDBA-DOTOQJQBSA-N 2 0 348.466 2.157 10 0 EEAERP c1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001473983415 1110587493 /nfs/dbraw/zinc/58/74/93/1110587493.db2.gz KXBQRAMNONQVHC-UHFFFAOYSA-N 2 0 325.460 2.169 10 0 EEAERP O=C(NCC1([NH2+]CCCc2ccsc2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001499229132 1112189255 /nfs/dbraw/zinc/18/92/55/1112189255.db2.gz QLMMKOSHQPPGQZ-QGZVFWFLSA-N 2 0 347.528 2.261 10 0 EEAERP CC[C@H](C(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1)[NH+](C)C ZINC001499263510 1112206720 /nfs/dbraw/zinc/20/67/20/1112206720.db2.gz GWIFZSFIJVJCQS-NWDGAFQWSA-N 2 0 336.307 2.149 10 0 EEAERP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001500552362 1112942484 /nfs/dbraw/zinc/94/24/84/1112942484.db2.gz CBPUEMYKFMTDGJ-LJQANCHMSA-N 2 0 339.524 2.117 10 0 EEAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001501392412 1113338314 /nfs/dbraw/zinc/33/83/14/1113338314.db2.gz YCDUXQDJCRCRSB-ULQDDVLXSA-N 2 0 325.472 2.142 10 0 EEAERP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]Cc3cncc(F)c3)C2)CCC1 ZINC001501574867 1113388691 /nfs/dbraw/zinc/38/86/91/1113388691.db2.gz SNQAOJUPSONQEW-OAHLLOKOSA-N 2 0 348.466 2.033 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001502135401 1113609583 /nfs/dbraw/zinc/60/95/83/1113609583.db2.gz JRLQAAHYGPXAPQ-GOSISDBHSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCC1CCOCC1 ZINC001502986596 1113868138 /nfs/dbraw/zinc/86/81/38/1113868138.db2.gz KZZXHAUOOUVGAM-WMZOPIPTSA-N 2 0 339.524 2.114 10 0 EEAERP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001505513564 1114031284 /nfs/dbraw/zinc/03/12/84/1114031284.db2.gz NPQRDXPTGIFZSF-AHPWVWPOSA-N 2 0 335.414 2.154 10 0 EEAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001506841913 1114906851 /nfs/dbraw/zinc/90/68/51/1114906851.db2.gz QKRLCMIORIUHRS-DLBZAZTESA-N 2 0 339.524 2.257 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@]3(C)C[NH+](CCCCCF)C[C@]3(C)C2)C1 ZINC001506870271 1114940685 /nfs/dbraw/zinc/94/06/85/1114940685.db2.gz JSMKDGJJHQDTNL-YTQUADARSA-N 2 0 339.499 2.248 10 0 EEAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001506899552 1114959181 /nfs/dbraw/zinc/95/91/81/1114959181.db2.gz XKTVTWSBRULFOQ-QAETUUGQSA-N 2 0 327.488 2.482 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccn1 ZINC001507095463 1115105986 /nfs/dbraw/zinc/10/59/86/1115105986.db2.gz MTJAFVGVMARJJN-WMZOPIPTSA-N 2 0 332.492 2.139 10 0 EEAERP Cc1cccc(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001507331687 1115196758 /nfs/dbraw/zinc/19/67/58/1115196758.db2.gz QOQMRIVLONEJDT-MSOLQXFVSA-N 2 0 345.487 2.049 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cncc(F)c3)C2)CCC1 ZINC001507398318 1115250903 /nfs/dbraw/zinc/25/09/03/1115250903.db2.gz JAFKRQQFYYUDBT-RHSMWYFYSA-N 2 0 348.466 2.080 10 0 EEAERP CN(C)c1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001507412257 1115257082 /nfs/dbraw/zinc/25/70/82/1115257082.db2.gz VFCJSELIUCRXQZ-QZTJIDSGSA-N 2 0 346.519 2.079 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001508230585 1115455560 /nfs/dbraw/zinc/45/55/60/1115455560.db2.gz XYDTYNSNBUGWFH-UHFFFAOYSA-N 2 0 329.435 2.120 10 0 EEAERP CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001509226294 1115762783 /nfs/dbraw/zinc/76/27/83/1115762783.db2.gz JNUNBYPUPIJLKF-SJORKVTESA-N 2 0 348.539 2.101 10 0 EEAERP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001567907533 1124170422 /nfs/dbraw/zinc/17/04/22/1124170422.db2.gz UXNAROMGDLYODB-UONOGXRCSA-N 2 0 335.414 2.346 10 0 EEAERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001567973218 1124211931 /nfs/dbraw/zinc/21/19/31/1124211931.db2.gz BMNPEXSDTOMVIG-CQSZACIVSA-N 2 0 338.883 2.061 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001568650905 1124662499 /nfs/dbraw/zinc/66/24/99/1124662499.db2.gz FLWZBRDQELKBHN-PKOBYXMFSA-N 2 0 346.519 2.495 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568678530 1124690126 /nfs/dbraw/zinc/69/01/26/1124690126.db2.gz UABFEHOKPAOZPJ-KBPBESRZSA-N 2 0 338.883 2.061 10 0 EEAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001568692265 1124705709 /nfs/dbraw/zinc/70/57/09/1124705709.db2.gz GHNOFLUUCQPWDX-AWEZNQCLSA-N 2 0 331.451 2.248 10 0 EEAERP O=C(NC/C=C\C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001568879162 1124904187 /nfs/dbraw/zinc/90/41/87/1124904187.db2.gz BYASWKJZVPGDDY-SPRBJNKPSA-N 2 0 331.504 2.313 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001568900240 1124928470 /nfs/dbraw/zinc/92/84/70/1124928470.db2.gz MHIGQPLNYYXBAZ-RXYHWBRQSA-N 2 0 339.842 2.335 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]C/C=C/c1ccccc1 ZINC001568902736 1124929692 /nfs/dbraw/zinc/92/96/92/1124929692.db2.gz OKXUESJLKHYIIH-DTDPNCGVSA-N 2 0 327.472 2.446 10 0 EEAERP COc1cc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001568919853 1124947223 /nfs/dbraw/zinc/94/72/23/1124947223.db2.gz JWBGGDSNSIJRLK-DWTRPJMMSA-N 2 0 345.487 2.107 10 0 EEAERP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001568920602 1124949575 /nfs/dbraw/zinc/94/95/75/1124949575.db2.gz YKSKDGZOKVOXRW-MJSXRHKHSA-N 2 0 333.451 2.238 10 0 EEAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001569168082 1125141324 /nfs/dbraw/zinc/14/13/24/1125141324.db2.gz GOTZLSWFKSZUFA-ZWKOTPCHSA-N 2 0 339.524 2.019 10 0 EEAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001569254063 1125197168 /nfs/dbraw/zinc/19/71/68/1125197168.db2.gz COWYGQITDMCWCW-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP O=C(Cn1ccnc1)NC[C@H]1C[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001565857385 1125436967 /nfs/dbraw/zinc/43/69/67/1125436967.db2.gz FGHQBOUQFZKVHY-BDRYQJQLSA-N 2 0 338.455 2.471 10 0 EEAERP C[NH2+]Cc1cc(Br)cnc1N(C)[C@H]1CCC[N@H+](C)C1 ZINC000053249138 214173116 /nfs/dbraw/zinc/17/31/16/214173116.db2.gz GNBZEJZDQCKRAE-ZDUSSCGKSA-N 2 0 327.270 2.094 10 0 EEAERP CC[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1CCOC ZINC000181688951 539585985 /nfs/dbraw/zinc/58/59/85/539585985.db2.gz XIEWEZHRKRMAQB-LJQANCHMSA-N 2 0 337.483 2.300 10 0 EEAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000360895290 283181740 /nfs/dbraw/zinc/18/17/40/283181740.db2.gz HTMKQMCEJVUMPD-ULQDDVLXSA-N 2 0 326.529 2.479 10 0 EEAERP CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418773086 239322697 /nfs/dbraw/zinc/32/26/97/239322697.db2.gz QCRYICFITNCRRN-MOPGFXCFSA-N 2 0 344.503 2.435 10 0 EEAERP COc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422726048 240195922 /nfs/dbraw/zinc/19/59/22/240195922.db2.gz ZCJHRQHFJXLRGY-RCCFBDPRSA-N 2 0 348.487 2.383 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000422997082 240324616 /nfs/dbraw/zinc/32/46/16/240324616.db2.gz NIOXNOPWMJGYEU-DOTOQJQBSA-N 2 0 330.476 2.455 10 0 EEAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060436 240346882 /nfs/dbraw/zinc/34/68/82/240346882.db2.gz IGPMLEQGXVJAGS-LEAZDLGRSA-N 2 0 331.504 2.383 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423152500 240385866 /nfs/dbraw/zinc/38/58/66/240385866.db2.gz LQBYIIGJVGNKLI-GVDBMIGSSA-N 2 0 340.508 2.349 10 0 EEAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000246193512 243209625 /nfs/dbraw/zinc/20/96/25/243209625.db2.gz DHOHLTQPWPCHDY-UHOSZYNNSA-N 2 0 349.519 2.011 10 0 EEAERP C[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262705559 152310158 /nfs/dbraw/zinc/31/01/58/152310158.db2.gz BLGYPKQIXOMAQQ-UWVAXJGDSA-N 2 0 343.515 2.444 10 0 EEAERP C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC[N@@H+]1Cc1ccccc1 ZINC000263116863 152378800 /nfs/dbraw/zinc/37/88/00/152378800.db2.gz ARNYVKVKJNDGIA-GDBMZVCRSA-N 2 0 337.414 2.107 10 0 EEAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000359455297 153373406 /nfs/dbraw/zinc/37/34/06/153373406.db2.gz DIMABEPFVQXJEY-INIZCTEOSA-N 2 0 333.476 2.041 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](CC(C)(C)O)CC1 ZINC000359488226 153393476 /nfs/dbraw/zinc/39/34/76/153393476.db2.gz XHXSDEWDBPSENR-UHFFFAOYSA-N 2 0 333.407 2.275 10 0 EEAERP COc1ccc([C@H](NCC2([NH+](C)C)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422727355 286375602 /nfs/dbraw/zinc/37/56/02/286375602.db2.gz HHBJVCADLKFURD-MOPGFXCFSA-N 2 0 347.503 2.189 10 0 EEAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000128841357 292348469 /nfs/dbraw/zinc/34/84/69/292348469.db2.gz SFOFUPHEXJYYHV-FUHWJXTLSA-N 2 0 338.540 2.480 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000130753028 292378287 /nfs/dbraw/zinc/37/82/87/292378287.db2.gz LRPUNIBLFOKYNJ-ZWKOTPCHSA-N 2 0 338.540 2.480 10 0 EEAERP C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCC(C)CC1 ZINC000073897921 159058053 /nfs/dbraw/zinc/05/80/53/159058053.db2.gz MXWGQXZUHPOOBA-CSNJMZFVSA-N 2 0 336.524 2.421 10 0 EEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105148660 159297402 /nfs/dbraw/zinc/29/74/02/159297402.db2.gz AUVBZGWZBKDFFS-DLBZAZTESA-N 2 0 326.529 2.382 10 0 EEAERP C[C@@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706469 160249188 /nfs/dbraw/zinc/24/91/88/160249188.db2.gz MPAWOJQYDKOIMT-WJMWBRGCSA-N 2 0 343.515 2.492 10 0 EEAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246015076 160260508 /nfs/dbraw/zinc/26/05/08/160260508.db2.gz JGUMWDDRHGKOBN-OALUTQOASA-N 2 0 329.488 2.499 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246497120 160282462 /nfs/dbraw/zinc/28/24/62/160282462.db2.gz SGEMYQOGDYTXJS-ROUUACIJSA-N 2 0 336.524 2.234 10 0 EEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000247993683 160336009 /nfs/dbraw/zinc/33/60/09/160336009.db2.gz JRBMIMRBPMCVJE-PWIZWCRZSA-N 2 0 332.488 2.447 10 0 EEAERP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ncccc1F ZINC000346319703 161362665 /nfs/dbraw/zinc/36/26/65/161362665.db2.gz UXICYHCJTWGGIQ-OAHLLOKOSA-N 2 0 338.471 2.056 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355355366 163158614 /nfs/dbraw/zinc/15/86/14/163158614.db2.gz UWMVUPOFKVSDCS-VIQWUECVSA-N 2 0 348.535 2.377 10 0 EEAERP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2[nH]ccc2s1 ZINC000356119029 163339507 /nfs/dbraw/zinc/33/95/07/163339507.db2.gz ZTKYQRPZARAIDF-UHFFFAOYSA-N 2 0 334.489 2.327 10 0 EEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000194311142 268628680 /nfs/dbraw/zinc/62/86/80/268628680.db2.gz ZNTLKRUEBUPDCX-LJQANCHMSA-N 2 0 344.503 2.435 10 0 EEAERP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n(-c2ccccc2)n1 ZINC000279790991 274548769 /nfs/dbraw/zinc/54/87/69/274548769.db2.gz IRDJGPPSIZTFNX-UHFFFAOYSA-N 2 0 340.471 2.417 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cn[nH]c2)CC1 ZINC000353222901 276013214 /nfs/dbraw/zinc/01/32/14/276013214.db2.gz RMPZHRWUCOXVPF-UHFFFAOYSA-N 2 0 327.476 2.274 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000176368270 276370140 /nfs/dbraw/zinc/37/01/40/276370140.db2.gz MQQSNNFFGRBWJH-CABCVRRESA-N 2 0 338.521 2.477 10 0 EEAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CC23CCSCC3)CC[NH2+]CC1 ZINC000423543768 279529468 /nfs/dbraw/zinc/52/94/68/279529468.db2.gz HQNRKVOAROBUFJ-LSDHHAIUSA-N 2 0 340.533 2.431 10 0 EEAERP C[NH+](C)CC1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCCC1 ZINC000369079855 282070158 /nfs/dbraw/zinc/07/01/58/282070158.db2.gz YNERDHWJNWLSCN-UHFFFAOYSA-N 2 0 336.524 2.425 10 0 EEAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729290 292805173 /nfs/dbraw/zinc/80/51/73/292805173.db2.gz HRMKTRIAKXLITF-GOSISDBHSA-N 2 0 342.443 2.177 10 0 EEAERP C[N@H+](CCN1CCN(C[C@H]2CCCC[NH+]2C)CC1)Cc1ccccc1 ZINC000297538819 294273913 /nfs/dbraw/zinc/27/39/13/294273913.db2.gz PULASNBWUCUZLM-OAQYLSRUSA-N 2 0 344.547 2.220 10 0 EEAERP C[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000166507895 311391352 /nfs/dbraw/zinc/39/13/52/311391352.db2.gz BNBSWEMVLWDLSO-HBFSDRIKSA-N 2 0 331.504 2.380 10 0 EEAERP C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000333496843 312156424 /nfs/dbraw/zinc/15/64/24/312156424.db2.gz CXGZBRGFVSKKLR-CRAIPNDOSA-N 2 0 345.491 2.067 10 0 EEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000414739349 313073396 /nfs/dbraw/zinc/07/33/96/313073396.db2.gz PRVMTGUZEMZCSM-IBGZPJMESA-N 2 0 345.491 2.077 10 0 EEAERP CC(C)C[C@@H]([NH3+])CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000414739863 313073856 /nfs/dbraw/zinc/07/38/56/313073856.db2.gz KQUVGGDLJDYODR-GOSISDBHSA-N 2 0 348.535 2.122 10 0 EEAERP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414771094 313082848 /nfs/dbraw/zinc/08/28/48/313082848.db2.gz ZCABXMKWQVYACM-BEFAXECRSA-N 2 0 345.487 2.202 10 0 EEAERP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417008034 313392139 /nfs/dbraw/zinc/39/21/39/313392139.db2.gz IBKQPHXPLFDEBE-QXULXFAOSA-N 2 0 336.505 2.275 10 0 EEAERP [NH3+][C@H](CNC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000417014167 313394299 /nfs/dbraw/zinc/39/42/99/313394299.db2.gz ZUEAWRJLLPRZDY-LJQANCHMSA-N 2 0 338.455 2.044 10 0 EEAERP CC(C)[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCC(C)CC1 ZINC000417012605 313394726 /nfs/dbraw/zinc/39/47/26/313394726.db2.gz XKVHCMIIQKGERC-KSZLIROESA-N 2 0 336.524 2.279 10 0 EEAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417194830 313445090 /nfs/dbraw/zinc/44/50/90/313445090.db2.gz NCVJIJJYGNXHGQ-ROUUACIJSA-N 2 0 334.508 2.174 10 0 EEAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417812143 313604522 /nfs/dbraw/zinc/60/45/22/313604522.db2.gz PFAZCMQGMOJSIM-QAPCUYQASA-N 2 0 334.508 2.177 10 0 EEAERP CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1C ZINC000425383990 314382845 /nfs/dbraw/zinc/38/28/45/314382845.db2.gz PYXXXZDJDJYOGU-HNNXBMFYSA-N 2 0 342.491 2.399 10 0 EEAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1(c2ccccc2)CC1 ZINC000444678334 315316007 /nfs/dbraw/zinc/31/60/07/315316007.db2.gz WFHZMUPIOPVSGF-UHFFFAOYSA-N 2 0 341.499 2.393 10 0 EEAERP O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@H]1CCCO1 ZINC000527753611 317256233 /nfs/dbraw/zinc/25/62/33/317256233.db2.gz BJZRMEYNEPOEEV-GUDVDZBRSA-N 2 0 330.472 2.313 10 0 EEAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563577883 319024746 /nfs/dbraw/zinc/02/47/46/319024746.db2.gz GYZZBPYLKZNJAS-PKOBYXMFSA-N 2 0 336.524 2.426 10 0 EEAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000569575492 319589372 /nfs/dbraw/zinc/58/93/72/319589372.db2.gz BJODVTQKAWWVSA-BPQIPLTHSA-N 2 0 330.476 2.121 10 0 EEAERP CNC(=O)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccc(F)cc1C ZINC000577611506 320265770 /nfs/dbraw/zinc/26/57/70/320265770.db2.gz CYQLVWQBGOLAAW-HQVVEAJESA-N 2 0 335.467 2.146 10 0 EEAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000580831265 324137191 /nfs/dbraw/zinc/13/71/91/324137191.db2.gz LGSKGCWBSDODHR-UYAOXDASSA-N 2 0 337.467 2.163 10 0 EEAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cnccn2)CC1 ZINC000341258932 465079433 /nfs/dbraw/zinc/07/94/33/465079433.db2.gz LSCOQXRNFJTSKD-UHFFFAOYSA-N 2 0 339.487 2.341 10 0 EEAERP O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000347802647 465236995 /nfs/dbraw/zinc/23/69/95/465236995.db2.gz WWBJAJKYMWJPLV-FQEVSTJZSA-N 2 0 341.499 2.340 10 0 EEAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000355363340 465244157 /nfs/dbraw/zinc/24/41/57/465244157.db2.gz JRLCNRYSEXPIIZ-QFBILLFUSA-N 2 0 332.492 2.290 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000347914192 465305111 /nfs/dbraw/zinc/30/51/11/465305111.db2.gz HLSKKBXHOJUJMM-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP Cc1ccc(OC[C@@H](O)CN2CCN(c3cnccc3C)CC2)cc1 ZINC000534798107 468276784 /nfs/dbraw/zinc/27/67/84/468276784.db2.gz DZRVSTJVQRGPNY-SFHVURJKSA-N 2 0 341.455 2.260 10 0 EEAERP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000553166239 468353874 /nfs/dbraw/zinc/35/38/74/468353874.db2.gz CZSKPCFZJOSDEC-APWZRJJASA-N 2 0 345.487 2.290 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(OC)cc2)C[C@@H]1C ZINC000072293965 463501865 /nfs/dbraw/zinc/50/18/65/463501865.db2.gz SVQNCUCDBMDKKN-ULQDDVLXSA-N 2 0 336.476 2.240 10 0 EEAERP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000163236630 463573465 /nfs/dbraw/zinc/57/34/65/463573465.db2.gz OGASTCVSOHVUML-KURKYZTESA-N 2 0 339.524 2.018 10 0 EEAERP C[NH+](C)C1CCN(C(C)(C)C[NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC000084023588 463573736 /nfs/dbraw/zinc/57/37/36/463573736.db2.gz CMGXOWPJSHEVAD-UHFFFAOYSA-N 2 0 329.492 2.457 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000111882801 463686309 /nfs/dbraw/zinc/68/63/09/463686309.db2.gz NZRVYNAPIHSBGD-GOSISDBHSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@]1(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)CC[NH2+]C1 ZINC000261979050 463915982 /nfs/dbraw/zinc/91/59/82/463915982.db2.gz JBBYUQZYNDCFHE-KRWDZBQOSA-N 2 0 336.867 2.385 10 0 EEAERP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262011540 463924702 /nfs/dbraw/zinc/92/47/02/463924702.db2.gz VOISNGCDVIYDNX-AXUOBQJMSA-N 2 0 334.460 2.209 10 0 EEAERP C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314069 463999835 /nfs/dbraw/zinc/99/98/35/463999835.db2.gz ZJYUAXCPMWWXCA-OQIJWPOYSA-N 2 0 329.488 2.356 10 0 EEAERP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000236928912 464240223 /nfs/dbraw/zinc/24/02/23/464240223.db2.gz TZOOLTGKZMVXRE-OKZBNKHCSA-N 2 0 331.460 2.217 10 0 EEAERP C[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237233985 464289117 /nfs/dbraw/zinc/28/91/17/464289117.db2.gz XWRRPGVFGLQTJO-XJKSGUPXSA-N 2 0 343.393 2.424 10 0 EEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245835118 464516930 /nfs/dbraw/zinc/51/69/30/464516930.db2.gz CJIBJEFCHDPYNY-IEBWSBKVSA-N 2 0 342.487 2.163 10 0 EEAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247261238 464662804 /nfs/dbraw/zinc/66/28/04/464662804.db2.gz ZGBALOQRZBXRBU-OALUTQOASA-N 3 0 336.568 2.257 10 0 EEAERP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000183090255 464794168 /nfs/dbraw/zinc/79/41/68/464794168.db2.gz GIVBWRNVLSVDSS-QFBILLFUSA-N 2 0 345.487 2.056 10 0 EEAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000249691733 464904455 /nfs/dbraw/zinc/90/44/55/464904455.db2.gz UCYCUCFJHKSCDA-PKOBYXMFSA-N 2 0 346.519 2.333 10 0 EEAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000344518999 465638432 /nfs/dbraw/zinc/63/84/32/465638432.db2.gz ROTRIHUYOLDDBM-ZWKOTPCHSA-N 2 0 336.524 2.425 10 0 EEAERP C[C@H]([NH2+]C1(CN[C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000344525831 465641830 /nfs/dbraw/zinc/64/18/30/465641830.db2.gz NSYPSXBKGSDFIY-LNLFQRSKSA-N 2 0 331.504 2.426 10 0 EEAERP O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCCC1 ZINC000569128065 468445779 /nfs/dbraw/zinc/44/57/79/468445779.db2.gz AAEONJCCRSTGMC-GOSISDBHSA-N 2 0 327.472 2.167 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000346189144 465974053 /nfs/dbraw/zinc/97/40/53/465974053.db2.gz CMEOUNCLORVVAP-KRWDZBQOSA-N 2 0 325.460 2.493 10 0 EEAERP CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349704982 466199208 /nfs/dbraw/zinc/19/92/08/466199208.db2.gz XGRVAIVFVMKLCL-HKUYNNGSSA-N 2 0 344.503 2.037 10 0 EEAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000358181092 466519398 /nfs/dbraw/zinc/51/93/98/466519398.db2.gz CVZIXBMWKFPYGS-MJGOQNOKSA-N 2 0 346.519 2.297 10 0 EEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417042950 466763169 /nfs/dbraw/zinc/76/31/69/466763169.db2.gz WWGNFFYLWVMOAO-ZIFCJYIRSA-N 2 0 336.524 2.140 10 0 EEAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417221163 466807295 /nfs/dbraw/zinc/80/72/95/466807295.db2.gz NKIFULHNYQWKAR-YSHGAJCASA-N 2 0 342.487 2.215 10 0 EEAERP C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000417596232 466890653 /nfs/dbraw/zinc/89/06/53/466890653.db2.gz ZIVIUFXGRYSOSO-YJJAZYOBSA-N 2 0 344.503 2.431 10 0 EEAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373932478 466973283 /nfs/dbraw/zinc/97/32/83/466973283.db2.gz IDSIEQHFPVKXQL-ZWKOTPCHSA-N 2 0 334.508 2.131 10 0 EEAERP C[C@@H](NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H](C)[NH3+] ZINC000417903087 466979388 /nfs/dbraw/zinc/97/93/88/466979388.db2.gz YYWDSZWOXMYZLM-IMSKVBIZSA-N 2 0 332.492 2.178 10 0 EEAERP C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000424323060 467028975 /nfs/dbraw/zinc/02/89/75/467028975.db2.gz KJKVKCMGZOXIKD-JKSUJKDBSA-N 2 0 333.476 2.146 10 0 EEAERP O[C@H](CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000379651468 467370156 /nfs/dbraw/zinc/37/01/56/467370156.db2.gz UNSUOZQXYMQTHO-VQTJNVASSA-N 2 0 331.504 2.087 10 0 EEAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000414870137 467443053 /nfs/dbraw/zinc/44/30/53/467443053.db2.gz SAYUCBQASRBQPF-MRXNPFEDSA-N 2 0 332.492 2.022 10 0 EEAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000415016755 467469146 /nfs/dbraw/zinc/46/91/46/467469146.db2.gz ORSWANDHDKJUPS-GMTAPVOTSA-N 2 0 328.254 2.492 10 0 EEAERP c1nn(-c2ccccc2)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053205 467477706 /nfs/dbraw/zinc/47/77/06/467477706.db2.gz MACYQARLSLMJGL-UHFFFAOYSA-N 2 0 339.487 2.178 10 0 EEAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000420813792 467488623 /nfs/dbraw/zinc/48/86/23/467488623.db2.gz HOBVDEIOKRYBCS-BZSNNMDCSA-N 2 0 330.476 2.167 10 0 EEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(CCO)CCOC2)CC1 ZINC000449189594 467622531 /nfs/dbraw/zinc/62/25/31/467622531.db2.gz PODYCUJVMLBRLC-GHTZIAJQSA-N 2 0 346.515 2.461 10 0 EEAERP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000455436897 467682198 /nfs/dbraw/zinc/68/21/98/467682198.db2.gz VEYTYOVPCCJIHQ-SQWLQELKSA-N 2 0 338.521 2.380 10 0 EEAERP O[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)CC1(O)CCC1 ZINC000528508617 467691238 /nfs/dbraw/zinc/69/12/38/467691238.db2.gz XERLDWVNJSNOHW-VQTJNVASSA-N 2 0 344.499 2.250 10 0 EEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529307756 467843291 /nfs/dbraw/zinc/84/32/91/467843291.db2.gz RMNKITMQUDCYRM-CVEARBPZSA-N 2 0 336.524 2.471 10 0 EEAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000459252329 467953314 /nfs/dbraw/zinc/95/33/14/467953314.db2.gz GPJZEQSADWMDRT-ROUUACIJSA-N 2 0 336.524 2.378 10 0 EEAERP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC1(C)C ZINC000487274068 468030412 /nfs/dbraw/zinc/03/04/12/468030412.db2.gz FTLYGFFYOWWFCQ-IRXDYDNUSA-N 2 0 331.508 2.403 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)C1 ZINC000582309470 468521957 /nfs/dbraw/zinc/52/19/57/468521957.db2.gz FYFNAYGLHBQIMJ-HNNXBMFYSA-N 2 0 330.476 2.473 10 0 EEAERP CN(CCC[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1)CC[NH+](C)C ZINC000558423937 468676434 /nfs/dbraw/zinc/67/64/34/468676434.db2.gz USCKQWQNPOBAPJ-UHFFFAOYSA-N 2 0 329.492 2.392 10 0 EEAERP C[C@]1(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000570697318 468679671 /nfs/dbraw/zinc/67/96/71/468679671.db2.gz HXYRUNOHBSILLQ-UYAOXDASSA-N 2 0 344.503 2.340 10 0 EEAERP CSC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC[NH+](C)CC1 ZINC000594943471 468727793 /nfs/dbraw/zinc/72/77/93/468727793.db2.gz JGPTXOVYAYTTAJ-UHFFFAOYSA-N 3 0 331.489 2.184 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144187 468759273 /nfs/dbraw/zinc/75/92/73/468759273.db2.gz GALQNPPVJHTDNT-UHFFFAOYSA-N 2 0 346.431 2.024 10 0 EEAERP CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000571341368 468774260 /nfs/dbraw/zinc/77/42/60/468774260.db2.gz KWBVNOYQNQXIOL-MOPGFXCFSA-N 2 0 327.472 2.061 10 0 EEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000571984101 468866557 /nfs/dbraw/zinc/86/65/57/468866557.db2.gz HOWOLKHYBNTYCG-VQIMIIECSA-N 2 0 348.491 2.448 10 0 EEAERP CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561213152 468876369 /nfs/dbraw/zinc/87/63/69/468876369.db2.gz WOQYDOAKCSTHQP-RTBURBONSA-N 2 0 344.503 2.420 10 0 EEAERP Cc1cnc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061411 469156329 /nfs/dbraw/zinc/15/63/29/469156329.db2.gz IBHRZPMEERKRPB-AZUAARDMSA-N 2 0 330.520 2.199 10 0 EEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625837237 469406087 /nfs/dbraw/zinc/40/60/87/469406087.db2.gz QKNDSHQOBVNLPX-IBGZPJMESA-N 2 0 325.541 2.323 10 0 EEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629550647 469575350 /nfs/dbraw/zinc/57/53/50/469575350.db2.gz ORJIOXWPSBKAGW-MISYRCLQSA-N 2 0 346.519 2.183 10 0 EEAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428773 469654129 /nfs/dbraw/zinc/65/41/29/469654129.db2.gz ZZPUJIWTHHPKKV-HSALFYBXSA-N 2 0 345.531 2.332 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000623625447 469715333 /nfs/dbraw/zinc/71/53/33/469715333.db2.gz RYWBKODCEIRELC-MRXNPFEDSA-N 2 0 335.402 2.395 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[NH2+]1 ZINC000626924901 469756641 /nfs/dbraw/zinc/75/66/41/469756641.db2.gz FZCZOJOEHAVEAD-CRAIPNDOSA-N 2 0 330.476 2.222 10 0 EEAERP C[C@H]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[NH2+]1 ZINC000626927388 469757418 /nfs/dbraw/zinc/75/74/18/469757418.db2.gz MOERGLUZFBNYMG-YJBOKZPZSA-N 2 0 330.476 2.222 10 0 EEAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[NH2+]1 ZINC000626930923 469759035 /nfs/dbraw/zinc/75/90/35/469759035.db2.gz LNWMLDQJQALZTI-APWZRJJASA-N 2 0 344.503 2.133 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000626932491 469760237 /nfs/dbraw/zinc/76/02/37/469760237.db2.gz BCBPHCGMVBKPQK-CEXWTWQISA-N 2 0 346.519 2.379 10 0 EEAERP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000623903689 469792614 /nfs/dbraw/zinc/79/26/14/469792614.db2.gz NBIXLKGKPPLMQM-NVXWUHKLSA-N 2 0 339.524 2.160 10 0 EEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000627133029 469820949 /nfs/dbraw/zinc/82/09/49/469820949.db2.gz JTAWOFBGTZDOJO-SFHVURJKSA-N 2 0 344.503 2.353 10 0 EEAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627167078 469832083 /nfs/dbraw/zinc/83/20/83/469832083.db2.gz VQWFELMTPSTOFZ-YTQUADARSA-N 2 0 344.503 2.433 10 0 EEAERP C[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197251 469840760 /nfs/dbraw/zinc/84/07/60/469840760.db2.gz YHRXREGNBDEMEM-RHSMWYFYSA-N 2 0 336.455 2.039 10 0 EEAERP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccccc2n2cncc12 ZINC000624142377 469855106 /nfs/dbraw/zinc/85/51/06/469855106.db2.gz VKQNMRWOCBHEQK-CQSZACIVSA-N 2 0 339.443 2.164 10 0 EEAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624319729 469904623 /nfs/dbraw/zinc/90/46/23/469904623.db2.gz XSMDCKNRVBAGEJ-FYQPLNBISA-N 2 0 332.488 2.417 10 0 EEAERP COc1ccccc1N1CCC([NH2+]CCCN(C)CC[NH+](C)C)CC1 ZINC000631179685 470087879 /nfs/dbraw/zinc/08/78/79/470087879.db2.gz FURMPCCTLPBTGO-UHFFFAOYSA-N 2 0 348.535 2.137 10 0 EEAERP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]4C[NH2+]CC[C@H]43)ccc21 ZINC000632860923 470279207 /nfs/dbraw/zinc/27/92/07/470279207.db2.gz JKHCNZATPSITJM-IEBWSBKVSA-N 2 0 340.471 2.204 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1)C2 ZINC000634740714 470288908 /nfs/dbraw/zinc/28/89/08/470288908.db2.gz GIFZRKMECUFSNT-BMFZPTHFSA-N 2 0 341.377 2.163 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc3c(ccn3CCC[NH3+])c1)C2 ZINC000634750029 470294186 /nfs/dbraw/zinc/29/41/86/470294186.db2.gz LFZKYWIJHUYQTQ-BGYRXZFFSA-N 2 0 340.471 2.062 10 0 EEAERP COc1nsc(CNCC2=CC[N@H+](C)CC2)c1Br ZINC000638838324 470301604 /nfs/dbraw/zinc/30/16/04/470301604.db2.gz GENJXOTWRXCMMV-UHFFFAOYSA-N 2 0 332.267 2.266 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccncc2)CC[N@@H+]1C ZINC000633105694 470352390 /nfs/dbraw/zinc/35/23/90/470352390.db2.gz DWKLXDAEXZHQLR-ZWKOTPCHSA-N 2 0 332.492 2.092 10 0 EEAERP C[NH+](C)CC1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCCC1 ZINC000646191916 470560379 /nfs/dbraw/zinc/56/03/79/470560379.db2.gz FZALAIWVCDTQRZ-GOSISDBHSA-N 2 0 344.503 2.376 10 0 EEAERP O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000647631062 470942826 /nfs/dbraw/zinc/94/28/26/470942826.db2.gz DYUWQMRINTZWBY-QZTJIDSGSA-N 2 0 342.418 2.190 10 0 EEAERP O[C@H](C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000644524963 470972742 /nfs/dbraw/zinc/97/27/42/470972742.db2.gz RFKVTISILJXXKM-MRXNPFEDSA-N 2 0 345.409 2.102 10 0 EEAERP C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899732 471010683 /nfs/dbraw/zinc/01/06/83/471010683.db2.gz UJFVSDSUZQLDIT-BPQIPLTHSA-N 2 0 327.472 2.428 10 0 EEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654657388 471117539 /nfs/dbraw/zinc/11/75/39/471117539.db2.gz DYCJSGAKBLNRDM-CALCHBBNSA-N 2 0 326.529 2.336 10 0 EEAERP OC[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCc2ccccc21 ZINC000657500929 471152651 /nfs/dbraw/zinc/15/26/51/471152651.db2.gz QDJJGMHJVNFCHE-FQEVSTJZSA-N 2 0 334.423 2.233 10 0 EEAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000648316160 471161610 /nfs/dbraw/zinc/16/16/10/471161610.db2.gz JCQJBAJWLFKRDE-ZFWWWQNUSA-N 2 0 329.435 2.097 10 0 EEAERP C[NH+](C)CCOc1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)cc1 ZINC000651955376 471182877 /nfs/dbraw/zinc/18/28/77/471182877.db2.gz JEGTZNOMKKWOOV-UHFFFAOYSA-N 2 0 343.475 2.131 10 0 EEAERP C[NH2+]Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000652119137 471238877 /nfs/dbraw/zinc/23/88/77/471238877.db2.gz OFEDNRJQLFLDGU-UHFFFAOYSA-N 2 0 332.492 2.470 10 0 EEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000641247871 471252053 /nfs/dbraw/zinc/25/20/53/471252053.db2.gz FKQGWTVNKFOXEJ-HKUYNNGSSA-N 2 0 344.503 2.210 10 0 EEAERP C[N@H+](CCCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000652617190 471314903 /nfs/dbraw/zinc/31/49/03/471314903.db2.gz XOFMPFVPYLOZGA-UHFFFAOYSA-N 2 0 328.420 2.263 10 0 EEAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000666330397 471359381 /nfs/dbraw/zinc/35/93/81/471359381.db2.gz NTIAXWPNKQZDOF-UHFFFAOYSA-N 2 0 348.491 2.405 10 0 EEAERP CCN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663416401 471365824 /nfs/dbraw/zinc/36/58/24/471365824.db2.gz PBUBVWFQBFJPJO-ROUUACIJSA-N 2 0 332.492 2.415 10 0 EEAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041535 471484387 /nfs/dbraw/zinc/48/43/87/471484387.db2.gz JEMVBDBIYAVTCZ-ROUUACIJSA-N 2 0 346.475 2.296 10 0 EEAERP C[C@@H]1C[C@@H](CCNC(=O)NC/C=C\C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000669543036 471542317 /nfs/dbraw/zinc/54/23/17/471542317.db2.gz ZTDJPMTZHFUWKF-GOVFWEMJSA-N 2 0 330.476 2.101 10 0 EEAERP [NH3+]C/C=C\CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000669589037 471570226 /nfs/dbraw/zinc/57/02/26/471570226.db2.gz CQZOSQKNBXSGHP-OOFWQKGWSA-N 2 0 330.476 2.103 10 0 EEAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC(C)(C)[NH3+])cc1 ZINC000659353141 471589789 /nfs/dbraw/zinc/58/97/89/471589789.db2.gz IUVUZRCHQGTJTF-IRXDYDNUSA-N 2 0 333.476 2.165 10 0 EEAERP [NH3+]C1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000659430689 471622912 /nfs/dbraw/zinc/62/29/12/471622912.db2.gz HSBWGLGZCOPDJR-UHFFFAOYSA-N 2 0 330.476 2.353 10 0 EEAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000659601055 471696365 /nfs/dbraw/zinc/69/63/65/471696365.db2.gz PLVGQDKTDNHDBD-LPHOPBHVSA-N 2 0 334.508 2.179 10 0 EEAERP CCN(C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664407984 471743924 /nfs/dbraw/zinc/74/39/24/471743924.db2.gz ZVPNVHRAAOOQGQ-QRQLOZEOSA-N 2 0 344.503 2.385 10 0 EEAERP Cn1ncc(C2CCC2)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000667501463 471802045 /nfs/dbraw/zinc/80/20/45/471802045.db2.gz ZDYOTKPXUNZMAO-UHFFFAOYSA-N 2 0 332.492 2.232 10 0 EEAERP CCc1cnccc1[C@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664583834 471802159 /nfs/dbraw/zinc/80/21/59/471802159.db2.gz ZMNYZLZUMLAVSX-HOTGVXAUSA-N 2 0 349.523 2.276 10 0 EEAERP CO[C@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000659973457 471810216 /nfs/dbraw/zinc/81/02/16/471810216.db2.gz PZJSWNQZDVFJPA-VAMGGRTRSA-N 2 0 332.488 2.492 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667681895 471865085 /nfs/dbraw/zinc/86/50/85/471865085.db2.gz UTHKFRQFJXEKOD-KRWDZBQOSA-N 2 0 325.460 2.431 10 0 EEAERP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000660243642 471916087 /nfs/dbraw/zinc/91/60/87/471916087.db2.gz JLVMINZGVKHZQN-UHFFFAOYSA-N 2 0 332.492 2.231 10 0 EEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000667811439 471917042 /nfs/dbraw/zinc/91/70/42/471917042.db2.gz MGCQDQHDIQBAJU-KZNAEPCWSA-N 2 0 339.524 2.066 10 0 EEAERP CC[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000660324069 471944566 /nfs/dbraw/zinc/94/45/66/471944566.db2.gz YMCUZTVKOMDMIE-IBGZPJMESA-N 2 0 344.503 2.026 10 0 EEAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665282893 471989229 /nfs/dbraw/zinc/98/92/29/471989229.db2.gz DLBXJBSDWXVGTF-VAMGGRTRSA-N 2 0 330.520 2.052 10 0 EEAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000665285701 471989888 /nfs/dbraw/zinc/98/98/88/471989888.db2.gz UJXCOSOSAVNBLA-OAHLLOKOSA-N 2 0 333.476 2.336 10 0 EEAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000665364241 472021621 /nfs/dbraw/zinc/02/16/21/472021621.db2.gz MQIDSDYTVIRIKR-DLBZAZTESA-N 2 0 336.524 2.233 10 0 EEAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1 ZINC000662312644 472065327 /nfs/dbraw/zinc/06/53/27/472065327.db2.gz YGRYQZOTGVWCST-NSHGMRRFSA-N 2 0 342.487 2.472 10 0 EEAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000662386499 472093416 /nfs/dbraw/zinc/09/34/16/472093416.db2.gz BCMFBXBZRFVYJF-LPHOPBHVSA-N 2 0 347.503 2.430 10 0 EEAERP Cc1ccc2c(c1)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000665640406 472120346 /nfs/dbraw/zinc/12/03/46/472120346.db2.gz UJAXYGLMEQYNDE-INIZCTEOSA-N 2 0 332.492 2.339 10 0 EEAERP [NH3+]C1(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000662706979 472216290 /nfs/dbraw/zinc/21/62/90/472216290.db2.gz ZLYOWJFNMDCECH-UHFFFAOYSA-N 2 0 344.459 2.321 10 0 EEAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)on1 ZINC000662771810 472245384 /nfs/dbraw/zinc/24/53/84/472245384.db2.gz APHOZFIZVWFCQA-HNNXBMFYSA-N 2 0 338.411 2.451 10 0 EEAERP C[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000662864467 472282066 /nfs/dbraw/zinc/28/20/66/472282066.db2.gz DDBUARYIRNSJBC-JCHJZTRSSA-N 2 0 329.488 2.274 10 0 EEAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000668714653 485628765 /nfs/dbraw/zinc/62/87/65/485628765.db2.gz ARZUOJAJBGGZIG-INIZCTEOSA-N 2 0 339.443 2.020 10 0 EEAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](C(C)(C)CO)CC1 ZINC000684574497 485929082 /nfs/dbraw/zinc/92/90/82/485929082.db2.gz CNMZYSZRWROCGB-UHFFFAOYSA-N 2 0 333.407 2.275 10 0 EEAERP OCCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000675554073 486016169 /nfs/dbraw/zinc/01/61/69/486016169.db2.gz VEDCGEIYIBJJQN-UHFFFAOYSA-N 2 0 348.487 2.182 10 0 EEAERP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000678023368 486553278 /nfs/dbraw/zinc/55/32/78/486553278.db2.gz YCZJWWIDXZXXGJ-ZIFCJYIRSA-N 2 0 344.503 2.385 10 0 EEAERP COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3CCC[C@@H]3[NH3+])CCC[N@@H+]2C)cc1 ZINC000299740140 490738513 /nfs/dbraw/zinc/73/85/13/490738513.db2.gz WFOMZQSMSVUEGU-DSLXNQLJSA-N 2 0 345.487 2.322 10 0 EEAERP CN(CC[NH2+]Cc1cscc1Br)C(=O)CC[NH+](C)C ZINC001481276784 1180656017 /nfs/dbraw/zinc/65/60/17/1180656017.db2.gz GVRHNYZXKVIAOH-UHFFFAOYSA-N 2 0 348.310 2.010 10 0 EEAERP CC[N@@H+]1C[C@@H](C)N(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000416183927 527925002 /nfs/dbraw/zinc/92/50/02/527925002.db2.gz MAIAUJKYBVOPEE-DLBZAZTESA-N 2 0 329.488 2.376 10 0 EEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccco1 ZINC000174389028 528239616 /nfs/dbraw/zinc/23/96/16/528239616.db2.gz MCWOVHXUTBAOLG-SJORKVTESA-N 2 0 346.475 2.318 10 0 EEAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765426521 577500811 /nfs/dbraw/zinc/50/08/11/577500811.db2.gz FLSNZDWYOVBBCA-ZIAGYGMSSA-N 2 0 339.505 2.439 10 0 EEAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760484859 577663812 /nfs/dbraw/zinc/66/38/12/577663812.db2.gz SISOZKANIYNQDQ-HUUCEWRRSA-N 2 0 326.554 2.055 10 0 EEAERP C[NH+]1CCC(CNC(=S)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000760488047 577663869 /nfs/dbraw/zinc/66/38/69/577663869.db2.gz WOMDKQLSNLWKLP-QGZVFWFLSA-N 2 0 338.565 2.153 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000741492255 578120289 /nfs/dbraw/zinc/12/02/89/578120289.db2.gz QKNTUVQCUHKGCT-JYJNAYRXSA-N 2 0 326.554 2.007 10 0 EEAERP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCSC1 ZINC000896837977 685357351 /nfs/dbraw/zinc/35/73/51/685357351.db2.gz LYURKLCKJWWFKY-ZHALLVOQSA-N 2 0 347.528 2.233 10 0 EEAERP Cc1cc(C)cc([C@H](O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000180941776 682122831 /nfs/dbraw/zinc/12/28/31/682122831.db2.gz SYEKSXXWUCSCDR-HXUWFJFHSA-N 2 0 333.520 2.295 10 0 EEAERP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C[NH+]1CCCC1 ZINC000914243993 683412293 /nfs/dbraw/zinc/41/22/93/683412293.db2.gz YCHXCZTUNNLDAJ-FUHWJXTLSA-N 2 0 347.507 2.106 10 0 EEAERP OC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H]1CCCOC1 ZINC000894994761 683455714 /nfs/dbraw/zinc/45/57/14/683455714.db2.gz VAAYEMAGOXFZIN-SSTJLMRISA-N 2 0 344.499 2.417 10 0 EEAERP Cc1cc(C)cc([C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000174783059 683720582 /nfs/dbraw/zinc/72/05/82/683720582.db2.gz REPFSPRKDFAYKW-XLIONFOSSA-N 2 0 334.504 2.361 10 0 EEAERP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc2c(cccc2O)s1 ZINC000895391038 684577406 /nfs/dbraw/zinc/57/74/06/684577406.db2.gz SETIZOTZULTRSD-AWEZNQCLSA-N 2 0 333.457 2.036 10 0 EEAERP COC1(OC)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925692817 684948268 /nfs/dbraw/zinc/94/82/68/684948268.db2.gz QXMKJQXJEKIMFF-IBGZPJMESA-N 2 0 348.487 2.445 10 0 EEAERP c1cc(N2CCC([NH2+][C@@H]3CCCN4CCSC[C@H]34)CC2)cc[nH+]1 ZINC000896432463 684976192 /nfs/dbraw/zinc/97/61/92/684976192.db2.gz OXOPNEUQWDXCBN-QZTJIDSGSA-N 2 0 332.517 2.220 10 0 EEAERP CON(C)C(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000788018689 685844416 /nfs/dbraw/zinc/84/44/16/685844416.db2.gz WOVLJAMEAZGWCK-UHFFFAOYSA-N 2 0 333.476 2.240 10 0 EEAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001485537818 1191827392 /nfs/dbraw/zinc/82/73/92/1191827392.db2.gz UHMKKLXIPWCHLS-GXTWGEPZSA-N 2 0 348.318 2.103 10 0 EEAERP C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[NH+]1CCCCCC1 ZINC001485621045 1191859876 /nfs/dbraw/zinc/85/98/76/1191859876.db2.gz RNZBJBSGDACQFT-DSLXNQLJSA-N 2 0 333.520 2.345 10 0 EEAERP CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001485651488 1191870900 /nfs/dbraw/zinc/87/09/00/1191870900.db2.gz UWBVCXUBNBWNQJ-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)[NH+](C)CC(=O)N1C[C@]2(C)C[N@@H+](CC[C@H](C)F)C[C@]2(C)C1 ZINC001485669409 1191888743 /nfs/dbraw/zinc/88/87/43/1191888743.db2.gz GGCIMOAWOGNCGV-RYQLBKOJSA-N 2 0 327.488 2.245 10 0 EEAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001485695908 1191902986 /nfs/dbraw/zinc/90/29/86/1191902986.db2.gz PIXVGKJBANTIPL-RBSFLKMASA-N 2 0 331.451 2.248 10 0 EEAERP C[C@@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714890 1191906101 /nfs/dbraw/zinc/90/61/01/1191906101.db2.gz OYKZZLAOGIOJKP-HOCLYGCPSA-N 2 0 344.459 2.297 10 0 EEAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001485722038 1191909601 /nfs/dbraw/zinc/90/96/01/1191909601.db2.gz CDPYSASJMOEMIX-WMLDXEAASA-N 2 0 335.496 2.321 10 0 EEAERP C[C@H](CCC[NH2+]C[C@H]1CCCOC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001485740184 1191917306 /nfs/dbraw/zinc/91/73/06/1191917306.db2.gz IUBROHPJAQZIKU-SJLPKXTDSA-N 2 0 339.524 2.019 10 0 EEAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC(F)(F)C1 ZINC001480874534 1176543897 /nfs/dbraw/zinc/54/38/97/1176543897.db2.gz AJNQRWPJHMNDNZ-GJZGRUSLSA-N 2 0 331.451 2.344 10 0 EEAERP CN(Cc1ccon1)C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266472234 1176601567 /nfs/dbraw/zinc/60/15/67/1176601567.db2.gz GFQXQJCRGIHBMB-INIZCTEOSA-N 2 0 336.480 2.077 10 0 EEAERP C[N@H+](CCCCCF)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266473321 1176602530 /nfs/dbraw/zinc/60/25/30/1176602530.db2.gz YTTCNLNCCPSPPU-SJORKVTESA-N 2 0 327.488 2.248 10 0 EEAERP C[N@H+](CCCCCF)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266473320 1176602735 /nfs/dbraw/zinc/60/27/35/1176602735.db2.gz YTTCNLNCCPSPPU-IRXDYDNUSA-N 2 0 327.488 2.248 10 0 EEAERP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266515307 1176709935 /nfs/dbraw/zinc/70/99/35/1176709935.db2.gz UDJVNWVQYRGCNP-OALUTQOASA-N 2 0 329.488 2.212 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001266565958 1176856599 /nfs/dbraw/zinc/85/65/99/1176856599.db2.gz WFZRALOIMNSHGZ-SFHVURJKSA-N 2 0 333.451 2.045 10 0 EEAERP CN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744899 1177337428 /nfs/dbraw/zinc/33/74/28/1177337428.db2.gz WSCBJIULJWVMMF-GOSISDBHSA-N 2 0 328.460 2.200 10 0 EEAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](C[NH2+]Cc2ccon2)C1 ZINC001266826711 1177500286 /nfs/dbraw/zinc/50/02/86/1177500286.db2.gz WEVGMHBEGRYXEV-QGZVFWFLSA-N 2 0 348.491 2.269 10 0 EEAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001691372107 1177977176 /nfs/dbraw/zinc/97/71/76/1177977176.db2.gz SWJGGVVFGSCKQU-QGZVFWFLSA-N 2 0 339.524 2.257 10 0 EEAERP CC(C)OCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267107421 1178259679 /nfs/dbraw/zinc/25/96/79/1178259679.db2.gz GMMBISPCEGEYHI-ROUUACIJSA-N 2 0 341.540 2.311 10 0 EEAERP Cc1cncn1CC(=O)NCCC[N@H+](Cc1cncs1)C(C)C ZINC001267295743 1178701540 /nfs/dbraw/zinc/70/15/40/1178701540.db2.gz ZKDABWYRASTTIM-UHFFFAOYSA-N 2 0 335.477 2.065 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1F ZINC001267393501 1178964467 /nfs/dbraw/zinc/96/44/67/1178964467.db2.gz IWHOHJPLCBCGFH-GOSISDBHSA-N 2 0 335.467 2.494 10 0 EEAERP CO[C@@H](C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267444764 1179020124 /nfs/dbraw/zinc/02/01/24/1179020124.db2.gz NSEJRTYFDYTHKT-IBGZPJMESA-N 2 0 347.503 2.154 10 0 EEAERP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001481118506 1179787359 /nfs/dbraw/zinc/78/73/59/1179787359.db2.gz JLYXPVHRASBDDZ-SJORKVTESA-N 2 0 347.507 2.016 10 0 EEAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001267895995 1180711088 /nfs/dbraw/zinc/71/10/88/1180711088.db2.gz MMDQLGAQPSTRPI-KRWDZBQOSA-N 2 0 332.492 2.142 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001267964069 1180857544 /nfs/dbraw/zinc/85/75/44/1180857544.db2.gz ZLZZSDYOGHMKIK-AUPUMLSVSA-N 2 0 327.900 2.442 10 0 EEAERP Cc1ccc(CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001267983278 1180917254 /nfs/dbraw/zinc/91/72/54/1180917254.db2.gz YWCWUBRFVKTFRX-MJGOQNOKSA-N 2 0 331.504 2.364 10 0 EEAERP CC[C@H](F)C[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001481342708 1181074141 /nfs/dbraw/zinc/07/41/41/1181074141.db2.gz QBVJUDMNQWPZKP-PBHICJAKSA-N 2 0 327.488 2.293 10 0 EEAERP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC001481386780 1181176114 /nfs/dbraw/zinc/17/61/14/1181176114.db2.gz YUAGDKXPPLRFIQ-HRCADAONSA-N 2 0 343.462 2.439 10 0 EEAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001481448443 1181372725 /nfs/dbraw/zinc/37/27/25/1181372725.db2.gz YKDJZDRVQAHGOL-HNNXBMFYSA-N 2 0 344.459 2.108 10 0 EEAERP CCCCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481491629 1181557727 /nfs/dbraw/zinc/55/77/27/1181557727.db2.gz PQFUARYSDHBEFY-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP CCc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481496706 1181565043 /nfs/dbraw/zinc/56/50/43/1181565043.db2.gz JWDSOUWKEATPJP-QGZVFWFLSA-N 2 0 331.504 2.481 10 0 EEAERP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268086674 1181706107 /nfs/dbraw/zinc/70/61/07/1181706107.db2.gz MXHMHAJVTFUZAW-QGZVFWFLSA-N 2 0 331.504 2.398 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C[NH2+]CCF ZINC001268196649 1181993677 /nfs/dbraw/zinc/99/36/77/1181993677.db2.gz STONOSVQWZKYCW-MAUKXSAKSA-N 2 0 339.499 2.295 10 0 EEAERP C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C[NH2+]CCF ZINC001268196653 1181993958 /nfs/dbraw/zinc/99/39/58/1181993958.db2.gz STONOSVQWZKYCW-YJBOKZPZSA-N 2 0 339.499 2.295 10 0 EEAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001481644291 1182042639 /nfs/dbraw/zinc/04/26/39/1182042639.db2.gz FMCYFAMKZROKSS-HOCLYGCPSA-N 2 0 343.462 2.202 10 0 EEAERP C[C@H](CC[NH2+]Cc1ncc(C2CC2)o1)NC(=O)CC1CC[NH+](C)CC1 ZINC001268402453 1182505768 /nfs/dbraw/zinc/50/57/68/1182505768.db2.gz IFINRAAINQSHHC-CQSZACIVSA-N 2 0 348.491 2.268 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425456 1182591962 /nfs/dbraw/zinc/59/19/62/1182591962.db2.gz GBBMYNLMLPNAHF-AEFFLSMTSA-N 2 0 332.492 2.249 10 0 EEAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccn1)[NH+]1CCCC1 ZINC001268426053 1182593630 /nfs/dbraw/zinc/59/36/30/1182593630.db2.gz JDANDIMRVJOVOS-FUHWJXTLSA-N 2 0 332.492 2.186 10 0 EEAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nc(C)sc1C ZINC001481850334 1182801077 /nfs/dbraw/zinc/80/10/77/1182801077.db2.gz LADXSWQXLOORCV-SWLSCSKDSA-N 2 0 338.521 2.086 10 0 EEAERP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001482100627 1183329093 /nfs/dbraw/zinc/32/90/93/1183329093.db2.gz GTLIAYHMFHLJHL-CQSZACIVSA-N 2 0 336.480 2.089 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482131703 1183381474 /nfs/dbraw/zinc/38/14/74/1183381474.db2.gz XMPWKSGVKBKVJE-CYBMUJFWSA-N 2 0 338.521 2.168 10 0 EEAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]Cc1cncs1 ZINC001482149282 1183466883 /nfs/dbraw/zinc/46/68/83/1183466883.db2.gz QDLLAHABWHEGNR-CABCVRRESA-N 2 0 338.521 2.250 10 0 EEAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482160767 1183484542 /nfs/dbraw/zinc/48/45/42/1183484542.db2.gz KZDGYRVNAZJTKZ-OAHLLOKOSA-N 2 0 340.471 2.106 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001482173208 1183500146 /nfs/dbraw/zinc/50/01/46/1183500146.db2.gz HLRKBYZWOHWTMQ-CZUORRHYSA-N 2 0 338.521 2.168 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCOCC1 ZINC001268716723 1183636138 /nfs/dbraw/zinc/63/61/38/1183636138.db2.gz JJPDQNVNNUAZTQ-WMZOPIPTSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001268883313 1183786083 /nfs/dbraw/zinc/78/60/83/1183786083.db2.gz HGOKEPYALJDWEV-KRWDZBQOSA-N 2 0 327.488 2.437 10 0 EEAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](CC3CC3)CC2)no1 ZINC001268911491 1183812727 /nfs/dbraw/zinc/81/27/27/1183812727.db2.gz JPMBBDCMNBMDSE-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CN(CCC[NH2+]Cc1c(F)cccc1F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915911 1183824643 /nfs/dbraw/zinc/82/46/43/1183824643.db2.gz SDZOXPSPPJLQOA-CQSZACIVSA-N 2 0 339.430 2.245 10 0 EEAERP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cncc(F)c2)CCCC1 ZINC001482227829 1184346572 /nfs/dbraw/zinc/34/65/72/1184346572.db2.gz DSUFACKMWDAYPA-UHFFFAOYSA-N 2 0 336.455 2.081 10 0 EEAERP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCOC)[NH+](CC)CC ZINC001269675828 1184500383 /nfs/dbraw/zinc/50/03/83/1184500383.db2.gz JEQHYSIZHLNOKJ-KSZLIROESA-N 2 0 339.524 2.209 10 0 EEAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001269766226 1184602895 /nfs/dbraw/zinc/60/28/95/1184602895.db2.gz UAYUSTIJOFWFDW-MAUKXSAKSA-N 2 0 327.488 2.437 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cc(C)ns2)CC[N@@H+]1C ZINC001482288935 1185097801 /nfs/dbraw/zinc/09/78/01/1185097801.db2.gz PRSHGQHOEAQLTE-CWRNSKLLSA-N 2 0 338.521 2.118 10 0 EEAERP C[C@H](C[NH2+]C[C@@H](O)c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317114 1185323813 /nfs/dbraw/zinc/32/38/13/1185323813.db2.gz OMXCWDYFWPZVIH-SJLPKXTDSA-N 2 0 347.503 2.031 10 0 EEAERP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323130 1185357266 /nfs/dbraw/zinc/35/72/66/1185357266.db2.gz LDAVVNFSBYOSPN-HNNXBMFYSA-N 2 0 349.523 2.051 10 0 EEAERP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001280308986 1185541721 /nfs/dbraw/zinc/54/17/21/1185541721.db2.gz YDZLHSKHYIWXKF-IRXDYDNUSA-N 2 0 327.488 2.439 10 0 EEAERP Cc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c(C)n1 ZINC001482399128 1185616257 /nfs/dbraw/zinc/61/62/57/1185616257.db2.gz WOGFVTSCMVVWMP-LJQANCHMSA-N 2 0 346.519 2.415 10 0 EEAERP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001482449513 1185819164 /nfs/dbraw/zinc/81/91/64/1185819164.db2.gz PDRQXUPWHZNUHG-UWWQBHOKSA-N 2 0 348.491 2.184 10 0 EEAERP Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001482518450 1186442722 /nfs/dbraw/zinc/44/27/22/1186442722.db2.gz PLLXHQYQSBTYKZ-MSOLQXFVSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001271738255 1186445819 /nfs/dbraw/zinc/44/58/19/1186445819.db2.gz GHFNLYYYNUKWOZ-OLZOCXBDSA-N 2 0 336.307 2.474 10 0 EEAERP C[C@@H]1C[C@@H](C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001482617708 1187427012 /nfs/dbraw/zinc/42/70/12/1187427012.db2.gz PJPBXSGPCYWLQT-SJORKVTESA-N 2 0 339.524 2.066 10 0 EEAERP CCc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272772232 1193490611 /nfs/dbraw/zinc/49/06/11/1193490611.db2.gz DJIDBSHMEGUBIT-WMLDXEAASA-N 2 0 336.480 2.094 10 0 EEAERP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001482831620 1187751397 /nfs/dbraw/zinc/75/13/97/1187751397.db2.gz AJSRESCVJMJNGI-BEFAXECRSA-N 2 0 345.487 2.021 10 0 EEAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)n1 ZINC001482865495 1187785538 /nfs/dbraw/zinc/78/55/38/1187785538.db2.gz JRXQKSWROVGAFH-OAHLLOKOSA-N 2 0 332.492 2.025 10 0 EEAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482924830 1187844689 /nfs/dbraw/zinc/84/46/89/1187844689.db2.gz UURWIWRZRZOIIZ-UHFFFAOYSA-N 2 0 332.492 2.284 10 0 EEAERP CCN(CC[NH2+]Cc1ocnc1C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482959301 1187896635 /nfs/dbraw/zinc/89/66/35/1187896635.db2.gz CFRIOGACHUCJCM-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001483026915 1188032609 /nfs/dbraw/zinc/03/26/09/1188032609.db2.gz SRNQLIFJQOKMHA-PYTPGESOSA-N 2 0 333.451 2.380 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCCOC)C2)CC[N@@H+]1C ZINC001691620351 1188320722 /nfs/dbraw/zinc/32/07/22/1188320722.db2.gz JOHAJROJSDMGRO-OKZBNKHCSA-N 2 0 339.524 2.114 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(F)c1F ZINC001691622919 1188322939 /nfs/dbraw/zinc/32/29/39/1188322939.db2.gz DUIDWDMNWSVBBL-INIZCTEOSA-N 2 0 339.430 2.387 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(C)c(F)c2)CC[N@@H+]1C ZINC001483129102 1188610713 /nfs/dbraw/zinc/61/07/13/1188610713.db2.gz SMCUJGOIUIVERH-UWWQBHOKSA-N 2 0 335.467 2.459 10 0 EEAERP C[C@H](C[NH2+]CCOc1ccccc1)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001483140805 1188701525 /nfs/dbraw/zinc/70/15/25/1188701525.db2.gz ODBBBZSPRHKFQX-CQSZACIVSA-N 2 0 338.411 2.350 10 0 EEAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001483172542 1189024551 /nfs/dbraw/zinc/02/45/51/1189024551.db2.gz RHILJPIMMOPBRO-SJLPKXTDSA-N 2 0 349.523 2.321 10 0 EEAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc2ccccc2o1 ZINC001485855754 1193617570 /nfs/dbraw/zinc/61/75/70/1193617570.db2.gz NHZKMQAUEXLERW-YOEHRIQHSA-N 2 0 329.444 2.464 10 0 EEAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001409385125 1189606187 /nfs/dbraw/zinc/60/61/87/1189606187.db2.gz KKVIKLXFSNNRAI-CABCVRRESA-N 2 0 339.524 2.016 10 0 EEAERP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409422098 1189652707 /nfs/dbraw/zinc/65/27/07/1189652707.db2.gz ORAVQVYSXKSUEO-CABCVRRESA-N 2 0 340.471 2.247 10 0 EEAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485942681 1193653228 /nfs/dbraw/zinc/65/32/28/1193653228.db2.gz WKHPYOGGTFBMST-HUUCEWRRSA-N 2 0 327.488 2.293 10 0 EEAERP Cc1ncccc1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001409567535 1190045989 /nfs/dbraw/zinc/04/59/89/1190045989.db2.gz NHEKKFSZKRHRPO-LPHOPBHVSA-N 2 0 346.519 2.447 10 0 EEAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+][C@@H]1CCc2c1cccc2F ZINC001485945599 1193654753 /nfs/dbraw/zinc/65/47/53/1193654753.db2.gz XTMJCYPNNDTLCO-RDTXWAMCSA-N 2 0 345.462 2.345 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)N(C)Cc2nocc2C)C1 ZINC001409620533 1190111311 /nfs/dbraw/zinc/11/13/11/1190111311.db2.gz XBGXTXUPZROVDR-HZPDHXFCSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001409648120 1190147334 /nfs/dbraw/zinc/14/73/34/1190147334.db2.gz PZKXTODXVWXNAT-CRAIPNDOSA-N 2 0 327.472 2.206 10 0 EEAERP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]2CC[NH+](C)C2)cc1C ZINC001409661075 1190158514 /nfs/dbraw/zinc/15/85/14/1190158514.db2.gz ZLPQVSNXVAXLRH-FUHWJXTLSA-N 2 0 347.503 2.282 10 0 EEAERP CC(C)c1cnc(C[NH2+]CCCN(C)C(=O)C2([NH+](C)C)CCC2)o1 ZINC001483470212 1190491790 /nfs/dbraw/zinc/49/17/90/1190491790.db2.gz OEVIUELGFYZXRF-UHFFFAOYSA-N 2 0 336.480 2.220 10 0 EEAERP CN(CCC[NH2+]Cc1coc(C2CC2)n1)C(=O)C12CCC[NH+]1CCC2 ZINC001483476205 1190495797 /nfs/dbraw/zinc/49/57/97/1190495797.db2.gz WDVBWCSFZBJWMC-UHFFFAOYSA-N 2 0 346.475 2.119 10 0 EEAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCc3cncn3C2)cc1 ZINC001483476961 1190499153 /nfs/dbraw/zinc/49/91/53/1190499153.db2.gz MDLXBXOCSMFQPM-GOSISDBHSA-N 2 0 340.471 2.392 10 0 EEAERP CN(CCC[NH2+]Cc1ccc(Cl)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001483504019 1190519497 /nfs/dbraw/zinc/51/94/97/1190519497.db2.gz BVBYCRLWEZFYPX-UHFFFAOYSA-N 2 0 335.879 2.374 10 0 EEAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCOCC2)CCCCC1 ZINC001409801386 1190633160 /nfs/dbraw/zinc/63/31/60/1190633160.db2.gz LMOLVQCZSZAVHU-UHFFFAOYSA-N 2 0 339.524 2.164 10 0 EEAERP CCCC[C@H](C[NH2+]Cc1conc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001409818483 1190648470 /nfs/dbraw/zinc/64/84/70/1190648470.db2.gz LBBIXZFXVYRNCN-DJIMGWMZSA-N 2 0 336.480 2.088 10 0 EEAERP CCCC[C@@H](C[NH2+]CC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001409818339 1190650682 /nfs/dbraw/zinc/65/06/82/1190650682.db2.gz KWMMTDJMTLYYAF-ZWKOTPCHSA-N 2 0 339.524 2.162 10 0 EEAERP Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001272280711 1190738193 /nfs/dbraw/zinc/73/81/93/1190738193.db2.gz MBOGGNCZGLIFMS-RHSMWYFYSA-N 2 0 332.423 2.490 10 0 EEAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccn1)CC2)[NH+](C)C ZINC001486146327 1193697541 /nfs/dbraw/zinc/69/75/41/1193697541.db2.gz MTTLZAANHATFJM-JENIJYKNSA-N 2 0 330.476 2.035 10 0 EEAERP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)C1CC[NH+](C)CC1 ZINC001493682691 1190741276 /nfs/dbraw/zinc/74/12/76/1190741276.db2.gz YOQYVEGHMRZXPM-CQSZACIVSA-N 2 0 331.451 2.202 10 0 EEAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001272323668 1190761551 /nfs/dbraw/zinc/76/15/51/1190761551.db2.gz RWTUDBGEXZKNBB-QWHCGFSZSA-N 2 0 346.302 2.276 10 0 EEAERP Cc1noc(C)c1C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483743777 1190895461 /nfs/dbraw/zinc/89/54/61/1190895461.db2.gz CMARCYDXYFXNFV-NVXWUHKLSA-N 2 0 346.475 2.047 10 0 EEAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001272641514 1190948573 /nfs/dbraw/zinc/94/85/73/1190948573.db2.gz JGFMLKQSOWVIMA-MRXNPFEDSA-N 2 0 333.451 2.250 10 0 EEAERP COCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001483971542 1191131951 /nfs/dbraw/zinc/13/19/51/1191131951.db2.gz JBFUTDRYZCDZFZ-DLBZAZTESA-N 2 0 337.508 2.011 10 0 EEAERP Cc1nocc1C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001484014660 1191156023 /nfs/dbraw/zinc/15/60/23/1191156023.db2.gz PJJSZHJECLHGKT-QGZVFWFLSA-N 2 0 336.480 2.088 10 0 EEAERP Cc1cccc(OCC[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001484377840 1191321294 /nfs/dbraw/zinc/32/12/94/1191321294.db2.gz SXJQZHHFORVWJD-MSOLQXFVSA-N 2 0 347.503 2.010 10 0 EEAERP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001484406838 1191333477 /nfs/dbraw/zinc/33/34/77/1191333477.db2.gz IYBIANKWKIYFMA-QOQCFQCMSA-N 2 0 333.520 2.463 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001484521446 1191396631 /nfs/dbraw/zinc/39/66/31/1191396631.db2.gz RSCXCUPAEVGYHO-VACDPRKXSA-N 2 0 327.900 2.297 10 0 EEAERP C[N@@H+]1C[C@H](C(=O)N2CC[C@H](CC[NH2+]CCF)C2)[C@@H](c2ccccc2)C1 ZINC001484539536 1191405384 /nfs/dbraw/zinc/40/53/84/1191405384.db2.gz NVOAWCSFBKRTPP-UHOSZYNNSA-N 2 0 347.478 2.130 10 0 EEAERP COCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001484554469 1191412600 /nfs/dbraw/zinc/41/26/00/1191412600.db2.gz WSGDAUMZFUZRJW-LJQANCHMSA-N 2 0 347.503 2.255 10 0 EEAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CCC(F)(F)F)CC[N@@H+]1C ZINC001484754043 1191509486 /nfs/dbraw/zinc/50/94/86/1191509486.db2.gz CTERPCGBXIUHDD-KBPBESRZSA-N 2 0 337.430 2.449 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001485041454 1191623026 /nfs/dbraw/zinc/62/30/26/1191623026.db2.gz LYLKXGCJKXOWEM-MSOLQXFVSA-N 2 0 347.478 2.291 10 0 EEAERP O=C(NC1CC(C[NH2+]C/C(Cl)=C/Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001485091970 1191653101 /nfs/dbraw/zinc/65/31/01/1191653101.db2.gz IRTATZYEOHVBHT-LKHWDZIMSA-N 2 0 346.302 2.132 10 0 EEAERP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001485176231 1191677410 /nfs/dbraw/zinc/67/74/10/1191677410.db2.gz VAYXAYRWPTWJCR-HOTGVXAUSA-N 2 0 349.523 2.058 10 0 EEAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2cnccn2)CCCCC1 ZINC001485459695 1191797756 /nfs/dbraw/zinc/79/77/56/1191797756.db2.gz ZLGQCDXKPLOINV-MRXNPFEDSA-N 2 0 347.507 2.287 10 0 EEAERP Cc1cncc(C[N@@H+]2CC[C@@]3(NC(=O)CCC[NH+](C)C)CCC[C@H]23)c1 ZINC001486151771 1193702536 /nfs/dbraw/zinc/70/25/36/1193702536.db2.gz YDFMOLNJOLMTRB-ICSRJNTNSA-N 2 0 344.503 2.345 10 0 EEAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cnoc1C)CC2 ZINC001486160216 1193706545 /nfs/dbraw/zinc/70/65/45/1193706545.db2.gz MQVWRSVYCMDHDH-PKOBYXMFSA-N 2 0 348.491 2.328 10 0 EEAERP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001486244495 1193770684 /nfs/dbraw/zinc/77/06/84/1193770684.db2.gz OSJCRBIKFWBCKG-MAUKXSAKSA-N 2 0 347.503 2.223 10 0 EEAERP CC(C)N(CC[N@H+](C)CC[C@H]1CCOC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486374225 1193880440 /nfs/dbraw/zinc/88/04/40/1193880440.db2.gz QNSOUOPVULKPSH-ROUUACIJSA-N 2 0 339.524 2.066 10 0 EEAERP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486483724 1193998018 /nfs/dbraw/zinc/99/80/18/1193998018.db2.gz PGKOAVONJHIMJH-LEOMRAHMSA-N 2 0 348.491 2.182 10 0 EEAERP C[C@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)O1 ZINC001486512653 1194031095 /nfs/dbraw/zinc/03/10/95/1194031095.db2.gz IPOHYQHHIPDTQK-FUHWJXTLSA-N 2 0 349.519 2.177 10 0 EEAERP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001272995040 1194303153 /nfs/dbraw/zinc/30/31/53/1194303153.db2.gz VAFOHHJMSNVNGH-CYBMUJFWSA-N 2 0 339.430 2.291 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@@H]2CN(Cc3ccc(F)cn3)CC2(C)C)CCC1 ZINC001410016914 1197265937 /nfs/dbraw/zinc/26/59/37/1197265937.db2.gz KUVJJYAKHGPIHU-MRXNPFEDSA-N 2 0 348.466 2.032 10 0 EEAERP COc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001410486260 1198038893 /nfs/dbraw/zinc/03/88/93/1198038893.db2.gz HWHUAWRTYBDBLT-FUHWJXTLSA-N 2 0 347.503 2.016 10 0 EEAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)C2 ZINC000872264196 1198117901 /nfs/dbraw/zinc/11/79/01/1198117901.db2.gz PBGXHTHDPUDXLN-CWRNSKLLSA-N 2 0 341.377 2.163 10 0 EEAERP C[NH+](C)CCN1CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865412312 1198204126 /nfs/dbraw/zinc/20/41/26/1198204126.db2.gz OKESCKBRPDLYLG-UHFFFAOYSA-N 2 0 330.451 2.490 10 0 EEAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cnc(Cl)c(F)c3)C2)CC1 ZINC000865461339 1198231019 /nfs/dbraw/zinc/23/10/19/1198231019.db2.gz QBRGROBOUWPJPS-CYBMUJFWSA-N 2 0 326.847 2.132 10 0 EEAERP Cc1ccnc(C[NH2+]CCCN(C)CC[NH+](C)C)c1Br ZINC000865637933 1198309528 /nfs/dbraw/zinc/30/95/28/1198309528.db2.gz QRNRROTYBZTSBS-UHFFFAOYSA-N 2 0 343.313 2.126 10 0 EEAERP C[NH+](C)C[C@@H]1CN(c2nnc(C(C)(C)C)s2)C[C@H]1C[NH+](C)C ZINC000866011749 1198454418 /nfs/dbraw/zinc/45/44/18/1198454418.db2.gz KLAPUGKUUVOFPJ-CHWSQXEVSA-N 2 0 325.526 2.011 10 0 EEAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H]1C ZINC001410844696 1198494377 /nfs/dbraw/zinc/49/43/77/1198494377.db2.gz JKTQHYWZWCPXHF-CRAIPNDOSA-N 2 0 335.467 2.287 10 0 EEAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC001410890621 1198544179 /nfs/dbraw/zinc/54/41/79/1198544179.db2.gz STYCEUNASWAJBQ-JKSUJKDBSA-N 2 0 339.524 2.112 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CC(F)(F)C1)CC2 ZINC001410927060 1198591379 /nfs/dbraw/zinc/59/13/79/1198591379.db2.gz ZTAUDPWGONZLFL-RDJZCZTQSA-N 2 0 343.462 2.487 10 0 EEAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)CC1 ZINC001411007790 1198688245 /nfs/dbraw/zinc/68/82/45/1198688245.db2.gz ZGXUXOODLBYMJO-KRWDZBQOSA-N 2 0 329.488 2.355 10 0 EEAERP CCN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)C1([NH+](C)C)CCC1 ZINC001273420822 1198772458 /nfs/dbraw/zinc/77/24/58/1198772458.db2.gz OQIULVVFEVSWDL-UHFFFAOYSA-N 2 0 345.487 2.139 10 0 EEAERP Cc1nc[nH]c1CC(=O)N(CCN(C)Cc1cccnc1)C(C)C ZINC001411193524 1198888007 /nfs/dbraw/zinc/88/80/07/1198888007.db2.gz CAQHAFSXJXLKGK-UHFFFAOYSA-N 2 0 329.448 2.025 10 0 EEAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cccnc2)C1 ZINC001411241229 1198958774 /nfs/dbraw/zinc/95/87/74/1198958774.db2.gz VRWHBDCAHYXTBY-ADKAHSJRSA-N 2 0 330.476 2.035 10 0 EEAERP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000813338043 1198969104 /nfs/dbraw/zinc/96/91/04/1198969104.db2.gz XUOFCEKQXGAHKF-OAHLLOKOSA-N 2 0 326.481 2.056 10 0 EEAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCc2ccccc2Cl)C1 ZINC001411249994 1198971690 /nfs/dbraw/zinc/97/16/90/1198971690.db2.gz YXPSRAGZJRFZHE-UHFFFAOYSA-N 2 0 337.895 2.413 10 0 EEAERP COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000869765974 1200264349 /nfs/dbraw/zinc/26/43/49/1200264349.db2.gz GZWIAKUHOARQEH-UHFFFAOYSA-N 2 0 347.503 2.179 10 0 EEAERP CCC(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870020866 1200411661 /nfs/dbraw/zinc/41/16/61/1200411661.db2.gz VOBKXSRUWRAMPB-QZTJIDSGSA-N 2 0 345.487 2.091 10 0 EEAERP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000870941705 1200969557 /nfs/dbraw/zinc/96/95/57/1200969557.db2.gz ZUYPIHXMVWWGKA-HONMWMINSA-N 2 0 340.265 2.035 10 0 EEAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC000870973129 1200984123 /nfs/dbraw/zinc/98/41/23/1200984123.db2.gz KFRUTGZATYQOKW-NKGKWGDASA-N 2 0 327.472 2.326 10 0 EEAERP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702323 1201583760 /nfs/dbraw/zinc/58/37/60/1201583760.db2.gz ANRAJCKEYNNASD-OXJNMPFZSA-N 2 0 331.504 2.431 10 0 EEAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2Cl)CC[N@@H+]1C ZINC001274037142 1204340298 /nfs/dbraw/zinc/34/02/98/1204340298.db2.gz QHUUSYBWLKNRCS-KRHNWMDASA-N 2 0 335.879 2.442 10 0 EEAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ncccc2C)C1 ZINC001274296572 1204988132 /nfs/dbraw/zinc/98/81/32/1204988132.db2.gz ANGXSJVTVVHCHA-SHCNBLLESA-N 2 0 344.503 2.274 10 0 EEAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ncccc2C)C1 ZINC001274296574 1204988197 /nfs/dbraw/zinc/98/81/97/1204988197.db2.gz ANGXSJVTVVHCHA-XDXAGZTOSA-N 2 0 344.503 2.274 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001274318708 1204996276 /nfs/dbraw/zinc/99/62/76/1204996276.db2.gz SKFXJCOWYVRNKO-ARJAWSKDSA-N 2 0 335.879 2.444 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC001274330267 1204997979 /nfs/dbraw/zinc/99/79/79/1204997979.db2.gz AQLONPDQBAAGEL-NSCUHMNNSA-N 2 0 337.414 2.069 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]CCOC(C)C)CC2)CC[N@@H+]1C ZINC001274339804 1205002236 /nfs/dbraw/zinc/00/22/36/1205002236.db2.gz NYFOQHCFFKJDMO-DLBZAZTESA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001274506399 1205060531 /nfs/dbraw/zinc/06/05/31/1205060531.db2.gz AGVMGVQTGZAWSC-PYTPGESOSA-N 2 0 329.488 2.407 10 0 EEAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925495402 1205524379 /nfs/dbraw/zinc/52/43/79/1205524379.db2.gz MZRYAPGAYBZFIW-WOJBJXKFSA-N 3 0 336.568 2.018 10 0 EEAERP CN(CCC[NH2+]C[C@@H]1CCCOC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001276007411 1205631561 /nfs/dbraw/zinc/63/15/61/1205631561.db2.gz SDCSJBZVEBNZQC-KRWDZBQOSA-N 2 0 339.524 2.116 10 0 EEAERP C[NH+](C)CCc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC001412083984 1205645343 /nfs/dbraw/zinc/64/53/43/1205645343.db2.gz CCCVIWXPHYOUJZ-UHFFFAOYSA-N 2 0 329.488 2.395 10 0 EEAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)C1 ZINC001412401728 1205715984 /nfs/dbraw/zinc/71/59/84/1205715984.db2.gz QGTOCCOQNCTTGO-BHIYHBOVSA-N 2 0 347.478 2.289 10 0 EEAERP CN(CCC[NH2+]Cc1csc(Cl)n1)C(=O)C1([NH+](C)C)CCC1 ZINC001276048736 1205751178 /nfs/dbraw/zinc/75/11/78/1205751178.db2.gz XNPKUWIFRQJIBO-UHFFFAOYSA-N 2 0 344.912 2.219 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC001412666550 1205819769 /nfs/dbraw/zinc/81/97/69/1205819769.db2.gz WUJWEHJLJIOOOB-KBAYOESNSA-N 2 0 333.451 2.200 10 0 EEAERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC34CCCCC4)cn2)CC1 ZINC000924626589 1206006598 /nfs/dbraw/zinc/00/65/98/1206006598.db2.gz KYSXKWLBJHHUBE-SFHVURJKSA-N 2 0 344.503 2.415 10 0 EEAERP CC1(C)[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925517647 1206122040 /nfs/dbraw/zinc/12/20/40/1206122040.db2.gz XLGAGCBJLCMCRW-HSALFYBXSA-N 2 0 343.515 2.385 10 0 EEAERP Cc1ccc([C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)N2CCOCC2)o1 ZINC000925522552 1206122920 /nfs/dbraw/zinc/12/29/20/1206122920.db2.gz HCYGEFXQPXKMJD-ULQDDVLXSA-N 2 0 335.492 2.457 10 0 EEAERP Cc1cccc(N2CC[NH+](CCCN[C@@H]3C[C@H]([NH3+])C34CCC4)CC2)c1 ZINC000925527923 1206123732 /nfs/dbraw/zinc/12/37/32/1206123732.db2.gz XJFIJSAYWXMKGZ-VQTJNVASSA-N 2 0 342.531 2.367 10 0 EEAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833302 1206158433 /nfs/dbraw/zinc/15/84/33/1206158433.db2.gz WFPGPOWCLDCHJT-CGENQQAYSA-N 2 0 326.440 2.423 10 0 EEAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(OC)cc1 ZINC000925852211 1206161035 /nfs/dbraw/zinc/16/10/35/1206161035.db2.gz DZFVKNSIFULFLJ-SJORKVTESA-N 2 0 332.444 2.421 10 0 EEAERP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925911227 1206167123 /nfs/dbraw/zinc/16/71/23/1206167123.db2.gz CFKAJMPGISOAHI-KRWDZBQOSA-N 2 0 347.507 2.200 10 0 EEAERP CCCN(C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CC[N@H+](C)C1 ZINC000925915421 1206167607 /nfs/dbraw/zinc/16/76/07/1206167607.db2.gz LYASJXJBOVFCQU-ZWKOTPCHSA-N 2 0 347.507 2.200 10 0 EEAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000925998685 1206180334 /nfs/dbraw/zinc/18/03/34/1206180334.db2.gz VNXNWYMESZXSDM-RHSMWYFYSA-N 2 0 348.516 2.007 10 0 EEAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929294720 1206463060 /nfs/dbraw/zinc/46/30/60/1206463060.db2.gz DNQOGZNZGQEKME-GOSISDBHSA-N 2 0 326.525 2.486 10 0 EEAERP CC[C@H]1COC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717952034 1211664590 /nfs/dbraw/zinc/66/45/90/1211664590.db2.gz VJFVGSYPXSUFEY-RBUKOAKNSA-N 2 0 332.488 2.418 10 0 EEAERP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CCC1C[NH2+]C1 ZINC000719903501 1213606290 /nfs/dbraw/zinc/60/62/90/1213606290.db2.gz LROFVLHGQCEOKO-LJQANCHMSA-N 2 0 329.488 2.499 10 0 EEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900013961 1233974471 /nfs/dbraw/zinc/97/44/71/1233974471.db2.gz SUZQNTZDJGPFLO-CEXWTWQISA-N 2 0 329.488 2.292 10 0 EEAERP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000900657439 1234619618 /nfs/dbraw/zinc/61/96/18/1234619618.db2.gz WLCOQVUSGNQWKO-IBGZPJMESA-N 2 0 331.460 2.076 10 0 EEAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000901273946 1235464753 /nfs/dbraw/zinc/46/47/53/1235464753.db2.gz ORZKSWBVZDMSEY-SJORKVTESA-N 2 0 327.472 2.204 10 0 EEAERP CC(C)[NH+]1CCN(c2cccc(NC(=O)C34CC[NH+](CC3)C4)c2)CC1 ZINC000901280533 1235471939 /nfs/dbraw/zinc/47/19/39/1235471939.db2.gz AXKKBYRALGJIRK-UHFFFAOYSA-N 2 0 342.487 2.251 10 0 EEAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001413339912 1235640523 /nfs/dbraw/zinc/64/05/23/1235640523.db2.gz GJDUWEYVCSROLB-OALUTQOASA-N 2 0 347.478 2.433 10 0 EEAERP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000902789385 1238535675 /nfs/dbraw/zinc/53/56/75/1238535675.db2.gz GPHXOEREHXRORZ-RLLQIKCJSA-N 2 0 337.552 2.445 10 0 EEAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000902796073 1238552102 /nfs/dbraw/zinc/55/21/02/1238552102.db2.gz MGHPTRILIBKZAM-DLBZAZTESA-N 2 0 327.476 2.159 10 0 EEAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903494511 1240664022 /nfs/dbraw/zinc/66/40/22/1240664022.db2.gz HQDSIVAFASWMIK-VXGBXAGGSA-N 2 0 345.365 2.440 10 0 EEAERP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494487 1240665004 /nfs/dbraw/zinc/66/50/04/1240665004.db2.gz GHRQBTYQUWKTLE-VYCVNGLKSA-N 2 0 333.520 2.377 10 0 EEAERP c1ccc(CCOC2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903722123 1241720717 /nfs/dbraw/zinc/72/07/17/1241720717.db2.gz HJLRKIHHQYIMOE-NHCUHLMSSA-N 2 0 344.499 2.479 10 0 EEAERP CCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000903897425 1242382494 /nfs/dbraw/zinc/38/24/94/1242382494.db2.gz YYFCGBFIRSDDQZ-SPUZQDLCSA-N 2 0 347.507 2.228 10 0 EEAERP Cc1c(C[C@H](C[NH3+])CN(C)C(C)(C)C[NH+]2CCCCCC2)cnn1C ZINC000903909591 1242436215 /nfs/dbraw/zinc/43/62/15/1242436215.db2.gz GCRYEVPNAMKINN-GOSISDBHSA-N 2 0 349.567 2.432 10 0 EEAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927496 1242529454 /nfs/dbraw/zinc/52/94/54/1242529454.db2.gz SGBOGBQIRDTCHA-LPHOPBHVSA-N 2 0 344.503 2.195 10 0 EEAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001491025316 1258583354 /nfs/dbraw/zinc/58/33/54/1258583354.db2.gz CITSVNAXZDFMDI-AHIKBAJXSA-N 2 0 325.884 2.383 10 0 EEAERP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001491026129 1258584623 /nfs/dbraw/zinc/58/46/23/1258584623.db2.gz KERJWINHJGPUAS-IJEWVQPXSA-N 2 0 336.505 2.063 10 0 EEAERP COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001491064251 1258632827 /nfs/dbraw/zinc/63/28/27/1258632827.db2.gz VXJUKTNHRUHQGX-XWTMOSNGSA-N 2 0 337.508 2.057 10 0 EEAERP Cc1ncsc1C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001491190032 1258755613 /nfs/dbraw/zinc/75/56/13/1258755613.db2.gz HHRBFUCNWIIMPV-OAHLLOKOSA-N 2 0 338.521 2.120 10 0 EEAERP CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001491258944 1258858040 /nfs/dbraw/zinc/85/80/40/1258858040.db2.gz MFSDQJACOWNIKM-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001491456976 1259101026 /nfs/dbraw/zinc/10/10/26/1259101026.db2.gz MCUNSASUMWZEKR-CKEIUWERSA-N 2 0 328.460 2.102 10 0 EEAERP COC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001273847728 1286716125 /nfs/dbraw/zinc/71/61/25/1286716125.db2.gz CNIYMQCTKBBJPC-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP CN(C[C@H]1CC[N@@H+]1[C@@H]1CCc2ccccc21)C(=O)C[NH+]1CCCC1 ZINC001488694890 1290138568 /nfs/dbraw/zinc/13/85/68/1290138568.db2.gz WWVNECIDWSVBRA-IEBWSBKVSA-N 2 0 327.472 2.302 10 0 EEAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001489325504 1290510450 /nfs/dbraw/zinc/51/04/50/1290510450.db2.gz GMSJLXMDSDMSMN-ACISRZNPSA-N 2 0 339.911 2.394 10 0 EEAERP Cc1oncc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001490311284 1291187203 /nfs/dbraw/zinc/18/72/03/1291187203.db2.gz HNWIHIKBLMTOJP-RHSMWYFYSA-N 2 0 336.480 2.182 10 0 EEAERP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](O)c1ccc(Cl)cc1 ZINC000852732074 1292179989 /nfs/dbraw/zinc/17/99/89/1292179989.db2.gz QGVXIFPPOSEXOQ-OKZBNKHCSA-N 2 0 340.895 2.444 10 0 EEAERP C[NH+](C)CCC[C@@H]1CN(C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760374 1292189875 /nfs/dbraw/zinc/18/98/75/1292189875.db2.gz DPBTXKOIYIUVSH-SJORKVTESA-N 2 0 326.868 2.416 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)cnn3C)C2)ccn1 ZINC000856548703 1293563014 /nfs/dbraw/zinc/56/30/14/1293563014.db2.gz MHDZIMPAQPSJKB-GOSISDBHSA-N 2 0 343.475 2.229 10 0 EEAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CCOC3)C2)ccn1 ZINC000856551268 1293563607 /nfs/dbraw/zinc/56/36/07/1293563607.db2.gz OAPCJQJNMWRWNT-QFBILLFUSA-N 2 0 333.476 2.413 10 0 EEAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000863210520 1296150626 /nfs/dbraw/zinc/15/06/26/1296150626.db2.gz MYNFDJSUYAFERV-IRXDYDNUSA-N 2 0 338.565 2.342 10 0 EEAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544535 1296328398 /nfs/dbraw/zinc/32/83/98/1296328398.db2.gz WWFZKZRLHMBQKM-XAUMDUMWSA-N 2 0 342.439 2.484 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001276739105 1297143956 /nfs/dbraw/zinc/14/39/56/1297143956.db2.gz SKPHMRHTSBFJTH-LDLYASANSA-N 2 0 331.504 2.267 10 0 EEAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001276887248 1300114382 /nfs/dbraw/zinc/11/43/82/1300114382.db2.gz ZURXDWHRRQXHKY-ONEGZZNKSA-N 2 0 331.504 2.363 10 0 EEAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001276995738 1300731690 /nfs/dbraw/zinc/73/16/90/1300731690.db2.gz NXUZEEWRRCGAJB-JCNLHEQBSA-N 2 0 347.478 2.337 10 0 EEAERP Cc1ccc(CCC[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001277246373 1301988633 /nfs/dbraw/zinc/98/86/33/1301988633.db2.gz XMNMGZYKTMJEDY-GOSISDBHSA-N 2 0 329.488 2.118 10 0 EEAERP CC[NH2+]CC1CCN(C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000841848446 1315621914 /nfs/dbraw/zinc/62/19/14/1315621914.db2.gz MUCOEBIVAORKSG-HNNXBMFYSA-N 2 0 338.883 2.281 10 0 EEAERP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc12 ZINC000843127352 1315850073 /nfs/dbraw/zinc/85/00/73/1315850073.db2.gz QFCXBYGFSPFPCE-BETUJISGSA-N 2 0 333.867 2.362 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001278522214 1317134887 /nfs/dbraw/zinc/13/48/87/1317134887.db2.gz VDYOIAIHBKQSCX-WMZOPIPTSA-N 2 0 339.524 2.112 10 0 EEAERP C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CCF ZINC001264520836 1322724090 /nfs/dbraw/zinc/72/40/90/1322724090.db2.gz QGKIWJCEQOENCZ-DLBZAZTESA-N 2 0 327.488 2.439 10 0 EEAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001264686052 1322784080 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CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C2CC2)no1 ZINC001265127795 1322935411 /nfs/dbraw/zinc/93/54/11/1322935411.db2.gz JONBZIANYOMTTB-SFHVURJKSA-N 2 0 348.491 2.365 10 0 EEAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265227480 1322997104 /nfs/dbraw/zinc/99/71/04/1322997104.db2.gz XCLWWLNGZLOBPV-SFHVURJKSA-N 2 0 339.524 2.114 10 0 EEAERP CCCCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265386749 1323113383 /nfs/dbraw/zinc/11/33/83/1323113383.db2.gz MEDQVUJGHTZQGC-MSOLQXFVSA-N 2 0 339.524 2.068 10 0 EEAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)C1CCC1 ZINC001265481750 1323177313 /nfs/dbraw/zinc/17/73/13/1323177313.db2.gz UTDRETVSFZOFHT-IYARVYRRSA-N 2 0 329.488 2.340 10 0 EEAERP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001265596879 1323253745 /nfs/dbraw/zinc/25/37/45/1323253745.db2.gz LXJUBLHQAKXVIS-SFHVURJKSA-N 2 0 347.503 2.227 10 0 EEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(F)cn1 ZINC001265978739 1323539331 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NTGLZZYDEPZNLH-KRWDZBQOSA-N 2 0 333.451 2.449 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001491790202 1330256817 /nfs/dbraw/zinc/25/68/17/1330256817.db2.gz BFZBVOUAKYVBRX-YJBOKZPZSA-N 2 0 349.906 2.415 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001491827281 1330265950 /nfs/dbraw/zinc/26/59/50/1330265950.db2.gz YICNOIJOXYRJLZ-IBYDIOTISA-N 2 0 334.291 2.228 10 0 EEAERP Cc1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)s1 ZINC001491896166 1330294088 /nfs/dbraw/zinc/29/40/88/1330294088.db2.gz KVPZLRHBJIPQMR-LSDHHAIUSA-N 2 0 338.521 2.309 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(CC[NH2+]CC3CC3)cc2)C1 ZINC001491902607 1330297078 /nfs/dbraw/zinc/29/70/78/1330297078.db2.gz WYBXCSYNULIQMH-IBGZPJMESA-N 2 0 329.488 2.187 10 0 EEAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1c(F)cccc1F ZINC001492110955 1330479501 /nfs/dbraw/zinc/47/95/01/1330479501.db2.gz XBVSLBKQEBWUPW-ZIAGYGMSSA-N 2 0 339.430 2.291 10 0 EEAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCc1c(F)cccc1F ZINC001492128169 1330981497 /nfs/dbraw/zinc/98/14/97/1330981497.db2.gz LGYREHVNPVZASA-CQSZACIVSA-N 2 0 339.430 2.088 10 0 EEAERP C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492258162 1331119322 /nfs/dbraw/zinc/11/93/22/1331119322.db2.gz ZJEYNDZPRLKCLZ-MRSBXDGLSA-N 2 0 341.499 2.480 10 0 EEAERP C[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCCO1)[NH+]1CCCCCC1 ZINC001316854971 1331477203 /nfs/dbraw/zinc/47/72/03/1331477203.db2.gz QFSGZPUBWYDRLF-MSOLQXFVSA-N 2 0 339.524 2.258 10 0 EEAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001316756582 1331874670 /nfs/dbraw/zinc/87/46/70/1331874670.db2.gz GGHURDTZPJWOPJ-KSULIHCOSA-N 2 0 333.520 2.465 10 0 EEAERP Cc1ncoc1C[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316860160 1331938251 /nfs/dbraw/zinc/93/82/51/1331938251.db2.gz QRSNMMUTAZWAOL-UHFFFAOYSA-N 2 0 348.491 2.043 10 0 EEAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1ocnc1C ZINC001316903290 1331969192 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WSDDSFSREKIWSW-MAUKXSAKSA-N 2 0 335.467 2.147 10 0 EEAERP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317378557 1332205030 /nfs/dbraw/zinc/20/50/30/1332205030.db2.gz PVOXVGQQTOVYLO-KRWDZBQOSA-N 2 0 339.524 2.210 10 0 EEAERP Cc1ccccc1OCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317450644 1332247516 /nfs/dbraw/zinc/24/75/16/1332247516.db2.gz GMFOMZDHFDAVBI-GOSISDBHSA-N 2 0 347.503 2.296 10 0 EEAERP CN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587501 1332310629 /nfs/dbraw/zinc/31/06/29/1332310629.db2.gz LOYINQGVMYIAJP-GOSISDBHSA-N 2 0 333.451 2.046 10 0 EEAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2c(C)nsc2C)CC[N@@H+]1C ZINC001317588809 1332311943 /nfs/dbraw/zinc/31/19/43/1332311943.db2.gz KYXFOZTYERJJLG-GOEBONIOSA-N 2 0 338.521 2.038 10 0 EEAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1 ZINC001317592184 1332314205 /nfs/dbraw/zinc/31/42/05/1332314205.db2.gz AZFFQTKRBKRYOZ-HNNXBMFYSA-N 2 0 338.883 2.157 10 0 EEAERP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001413907844 1332532507 /nfs/dbraw/zinc/53/25/07/1332532507.db2.gz QOGRVRDGZJAUCN-OALUTQOASA-N 2 0 344.503 2.435 10 0 EEAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001318909623 1332622392 /nfs/dbraw/zinc/62/23/92/1332622392.db2.gz ZBOXLIZOKOJGSN-LJQANCHMSA-N 2 0 329.488 2.499 10 0 EEAERP Cc1cc(C[NH2+]CCC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)no1 ZINC001318938429 1332626507 /nfs/dbraw/zinc/62/65/07/1332626507.db2.gz VBYWTJFXAIXBKS-UHFFFAOYSA-N 2 0 336.480 2.042 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCCC1CCOCC1 ZINC001319209285 1332665653 /nfs/dbraw/zinc/66/56/53/1332665653.db2.gz OIOALEHZIGGMLP-WMZOPIPTSA-N 2 0 339.524 2.019 10 0 EEAERP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH2+]CCO)C2CCCCC2)cc1 ZINC001319663374 1332736815 /nfs/dbraw/zinc/73/68/15/1332736815.db2.gz MLQUONIHDQJLNH-LJQANCHMSA-N 2 0 347.503 2.009 10 0 EEAERP C[C@@H](CC[NH2+]Cc1nc2ccc(F)cc2o1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320371156 1332869418 /nfs/dbraw/zinc/86/94/18/1332869418.db2.gz JMCNHTBEGHZLJN-SWLSCSKDSA-N 2 0 348.422 2.046 10 0 EEAERP CCn1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001320570134 1332912717 /nfs/dbraw/zinc/91/27/17/1332912717.db2.gz NHWSFHIKCSMJGI-AEFFLSMTSA-N 2 0 349.523 2.150 10 0 EEAERP C[C@@H](CC[NH2+]Cc1ccccc1OC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320640781 1332927350 /nfs/dbraw/zinc/92/73/50/1332927350.db2.gz UXRVDGGACXZOSI-DOTOQJQBSA-N 2 0 345.487 2.164 10 0 EEAERP CCN(CC[NH2+]CCOc1cccc(C)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320736408 1332942927 /nfs/dbraw/zinc/94/29/27/1332942927.db2.gz AHZZREPWERPQGT-IEBWSBKVSA-N 2 0 347.503 2.152 10 0 EEAERP CCN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)C[N@H+](C)C(C)C ZINC001320927721 1332980966 /nfs/dbraw/zinc/98/09/66/1332980966.db2.gz CFBJKRXAIZCPMV-UHFFFAOYSA-N 2 0 327.419 2.243 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001320997757 1332993855 /nfs/dbraw/zinc/99/38/55/1332993855.db2.gz KWKSKIXEXSVVMT-PXPVJAHISA-N 2 0 345.487 2.038 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001321220990 1333047738 /nfs/dbraw/zinc/04/77/38/1333047738.db2.gz FEOKSUFQLNDJSJ-BAABZTOOSA-N 2 0 329.435 2.026 10 0 EEAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001321221002 1333047976 /nfs/dbraw/zinc/04/79/76/1333047976.db2.gz FEOKSUFQLNDJSJ-SFAKSCPVSA-N 2 0 329.435 2.026 10 0 EEAERP CN(CCC[NH2+]CCCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001322677482 1333305547 /nfs/dbraw/zinc/30/55/47/1333305547.db2.gz CEQLPNVCBLPNFQ-UHFFFAOYSA-N 2 0 331.504 2.399 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001324614217 1333722301 /nfs/dbraw/zinc/72/23/01/1333722301.db2.gz FQIYVOIALBDVPR-IEBWSBKVSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1noc(C)c1C[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001326290492 1334061059 /nfs/dbraw/zinc/06/10/59/1334061059.db2.gz VHGFVFJCYVJELR-INIZCTEOSA-N 2 0 348.491 2.104 10 0 EEAERP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326350378 1334074155 /nfs/dbraw/zinc/07/41/55/1334074155.db2.gz AMIRVPCQUWBEBH-QGZVFWFLSA-N 2 0 344.503 2.060 10 0 EEAERP Cc1ccc(F)c(C[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001326351410 1334074588 /nfs/dbraw/zinc/07/45/88/1334074588.db2.gz GBOGLHSQYOGULN-INIZCTEOSA-N 2 0 335.467 2.414 10 0 EEAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001327903588 1334361774 /nfs/dbraw/zinc/36/17/74/1334361774.db2.gz OTDCVIHMLYSHHN-HIFRSBDPSA-N 2 0 338.883 2.013 10 0 EEAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001330668938 1334885183 /nfs/dbraw/zinc/88/51/83/1334885183.db2.gz ZKPBLRLDRFLATH-OVWQWFNUSA-N 2 0 348.491 2.032 10 0 EEAERP CC(C)OCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001331038726 1334951172 /nfs/dbraw/zinc/95/11/72/1334951172.db2.gz IMLGZNANDVEWAJ-SFHVURJKSA-N 2 0 339.524 2.209 10 0 EEAERP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)c1 ZINC001332025398 1335708734 /nfs/dbraw/zinc/70/87/34/1335708734.db2.gz IQMBBNDZVUFRDC-ROUUACIJSA-N 2 0 347.503 2.213 10 0 EEAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001332880801 1335923851 /nfs/dbraw/zinc/92/38/51/1335923851.db2.gz CHVCFHXNGBEHIL-LBPRGKRZSA-N 2 0 325.419 2.401 10 0 EEAERP CC(C)(C)[NH2+]CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001339765898 1337069872 /nfs/dbraw/zinc/06/98/72/1337069872.db2.gz KSGRKUXPWQGBEJ-KRWDZBQOSA-N 2 0 330.476 2.298 10 0 EEAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csc(Br)c1 ZINC001480530376 1338306444 /nfs/dbraw/zinc/30/64/44/1338306444.db2.gz FSQDAHCRZGBFNO-JTQLQIEISA-N 2 0 348.310 2.057 10 0 EEAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001434845065 1341961880 /nfs/dbraw/zinc/96/18/80/1341961880.db2.gz ZEOWRNQPWWEYIM-WBVHZDCISA-N 2 0 335.517 2.418 10 0 EEAERP Cc1ccccc1C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001436321337 1342025073 /nfs/dbraw/zinc/02/50/73/1342025073.db2.gz KUAOLIAJBOWYAM-APWZRJJASA-N 2 0 329.488 2.370 10 0 EEAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001436363718 1342053611 /nfs/dbraw/zinc/05/36/11/1342053611.db2.gz IORIZDJLGVYWPV-ZRGWGRIASA-N 2 0 345.462 2.393 10 0 EEAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001440607144 1342077222 /nfs/dbraw/zinc/07/72/22/1342077222.db2.gz OWGDGNAYIDJIBR-SJORKVTESA-N 2 0 337.508 2.011 10 0 EEAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](Cc1nc(C)oc1C)C2 ZINC001446929194 1342081600 /nfs/dbraw/zinc/08/16/00/1342081600.db2.gz ZRWQLDPIUHZIJG-BBWFWOEESA-N 2 0 348.491 2.102 10 0 EEAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(F)c1)CC2 ZINC001449016046 1342085012 /nfs/dbraw/zinc/08/50/12/1342085012.db2.gz QVCQADMQMYOKLY-MJGOQNOKSA-N 2 0 333.451 2.391 10 0 EEAERP CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001502546068 1342208509 /nfs/dbraw/zinc/20/85/09/1342208509.db2.gz NXKVEDIQQIDGGK-HKUYNNGSSA-N 2 0 339.524 2.068 10 0 EEAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC001565020387 1342552286 /nfs/dbraw/zinc/55/22/86/1342552286.db2.gz OANRWYQZRLTKFO-QGZVFWFLSA-N 2 0 326.529 2.384 10 0 EEAERP CCOCCC[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001566613423 1342580655 /nfs/dbraw/zinc/58/06/55/1342580655.db2.gz VEEAOCHXLLSUPQ-UHFFFAOYSA-N 2 0 339.524 2.068 10 0 EEAERP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001566772131 1342628061 /nfs/dbraw/zinc/62/80/61/1342628061.db2.gz VHILSRSEWHXBOS-IBGZPJMESA-N 2 0 331.504 2.460 10 0 EEAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001566778850 1342629401 /nfs/dbraw/zinc/62/94/01/1342629401.db2.gz BNENAIOWXABGQF-ZWKOTPCHSA-N 2 0 339.524 2.112 10 0 EEAERP Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001567176275 1342705159 /nfs/dbraw/zinc/70/51/59/1342705159.db2.gz JWSUEJMZUMJONA-ROUUACIJSA-N 2 0 347.507 2.034 10 0 EEAERP C[C@H](CCC[NH2+]Cc1cc(C2CC2)no1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001675920373 1357069915 /nfs/dbraw/zinc/06/99/15/1357069915.db2.gz OVXGGHYRIMHTQV-KDOFPFPSSA-N 2 0 348.491 2.411 10 0 EEAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001567497106 1342769682 /nfs/dbraw/zinc/76/96/82/1342769682.db2.gz KUTIGAJBXJDNJG-CRAIPNDOSA-N 2 0 345.487 2.116 10 0 EEAERP Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001569522556 1342892168 /nfs/dbraw/zinc/89/21/68/1342892168.db2.gz NEXUGXIGFMOIMB-ZWKOTPCHSA-N 2 0 347.503 2.295 10 0 EEAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001569687138 1342924019 /nfs/dbraw/zinc/92/40/19/1342924019.db2.gz ODWCWMXYBPSPCX-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001570572165 1343087059 /nfs/dbraw/zinc/08/70/59/1343087059.db2.gz VODVRTCQPJYSEM-SHARSMKWSA-N 2 0 331.451 2.248 10 0 EEAERP CCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC001570905239 1343137288 /nfs/dbraw/zinc/13/72/88/1343137288.db2.gz PVGWMPWPQYDTIE-IRXDYDNUSA-N 2 0 339.524 2.112 10 0 EEAERP COc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571380032 1343201190 /nfs/dbraw/zinc/20/11/90/1343201190.db2.gz HQJYTQXOINLXAG-FUHWJXTLSA-N 2 0 347.503 2.159 10 0 EEAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(Cl)n1 ZINC001571401438 1343204990 /nfs/dbraw/zinc/20/49/90/1343204990.db2.gz CSFLAHUSDHZJSV-ZDUSSCGKSA-N 2 0 338.883 2.013 10 0 EEAERP COCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001676675041 1357178804 /nfs/dbraw/zinc/17/88/04/1357178804.db2.gz PUYXCMLOCSSNIO-APWZRJJASA-N 2 0 347.503 2.367 10 0 EEAERP CC(C)n1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)n1 ZINC001676768478 1357197240 /nfs/dbraw/zinc/19/72/40/1357197240.db2.gz UVSOETWGTYKVSA-FUHWJXTLSA-N 2 0 349.523 2.275 10 0 EEAERP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC001676998453 1357258808 /nfs/dbraw/zinc/25/88/08/1357258808.db2.gz IPSGICFEBYRMDU-QGZVFWFLSA-N 2 0 349.523 2.075 10 0 EEAERP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CCCF ZINC001677004682 1357260529 /nfs/dbraw/zinc/26/05/29/1357260529.db2.gz XWRVFQTVHHFBRV-OAHLLOKOSA-N 2 0 325.472 2.049 10 0 EEAERP COCCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001677262678 1357303476 /nfs/dbraw/zinc/30/34/76/1357303476.db2.gz BGWHNWUOGVMHRC-MRXNPFEDSA-N 2 0 339.524 2.162 10 0 EEAERP CC(C)(C)[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001677297825 1357309054 /nfs/dbraw/zinc/30/90/54/1357309054.db2.gz QUJIVNBLUQAZJZ-LBPRGKRZSA-N 2 0 335.414 2.155 10 0 EEAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306171 1357310410 /nfs/dbraw/zinc/31/04/10/1357310410.db2.gz CMRNOBINIMEFPL-NEPJUHHUSA-N 2 0 336.307 2.378 10 0 EEAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC([NH2+]CCOC2CCC2)C1 ZINC001677426782 1357330644 /nfs/dbraw/zinc/33/06/44/1357330644.db2.gz AEVKFPFKLLXYFB-UHFFFAOYSA-N 2 0 339.524 2.112 10 0 EEAERP CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](C)CC2)(c2ccccc2)CC1 ZINC001637255092 1352675716 /nfs/dbraw/zinc/67/57/16/1352675716.db2.gz HFWKEUJKGJMRFL-UHFFFAOYSA-N 2 0 341.499 2.418 10 0 EEAERP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001649442950 1353507994 /nfs/dbraw/zinc/50/79/94/1353507994.db2.gz LUANCHJEXJMXRJ-QGZVFWFLSA-N 2 0 339.524 2.258 10 0 EEAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001649462870 1353519370 /nfs/dbraw/zinc/51/93/70/1353519370.db2.gz FUEFOBKXDMJHHV-STQMWFEESA-N 2 0 348.318 2.151 10 0 EEAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001656899035 1354296448 /nfs/dbraw/zinc/29/64/48/1354296448.db2.gz IVXTVLSUUNLKNR-GOSISDBHSA-N 2 0 347.503 2.378 10 0 EEAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cnccn1 ZINC001660203076 1354416137 /nfs/dbraw/zinc/41/61/37/1354416137.db2.gz GYOKNFNNENWYSI-WMZOPIPTSA-N 2 0 347.507 2.096 10 0 EEAERP Cc1ncccc1C[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001660352247 1354446260 /nfs/dbraw/zinc/44/62/60/1354446260.db2.gz NYRKSQKWGHCAAK-UHFFFAOYSA-N 2 0 346.519 2.449 10 0 EEAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C[C@@H]1CCCCO1 ZINC001660552920 1354487909 /nfs/dbraw/zinc/48/79/09/1354487909.db2.gz AQVKDHVHZUONJU-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCOc3ccccc3)C2)C1 ZINC001661674011 1354671189 /nfs/dbraw/zinc/67/11/89/1354671189.db2.gz NRARHXUYYMKNEX-OKZBNKHCSA-N 2 0 345.487 2.034 10 0 EEAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)CC1 ZINC001662690296 1354826226 /nfs/dbraw/zinc/82/62/26/1354826226.db2.gz FECVIZVSZCOROA-AWEZNQCLSA-N 2 0 335.414 2.109 10 0 EEAERP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001662930542 1354877424 /nfs/dbraw/zinc/87/74/24/1354877424.db2.gz ZMLOKZPMTXODJY-ZDUSSCGKSA-N 2 0 338.883 2.204 10 0 EEAERP Cc1oncc1C[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644345 1355009891 /nfs/dbraw/zinc/00/98/91/1355009891.db2.gz FXBOAJVWAPEXSD-QGZVFWFLSA-N 2 0 348.491 2.187 10 0 EEAERP C[C@H](C(=O)N(C)CC[NH2+]CCOc1ccccc1)[NH+]1CCCCCC1 ZINC001664227741 1355118014 /nfs/dbraw/zinc/11/80/14/1355118014.db2.gz VFFWWZNCRWBREL-GOSISDBHSA-N 2 0 347.503 2.378 10 0 EEAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(Cl)ccc1OC)[NH+](C)C ZINC001664313367 1355136370 /nfs/dbraw/zinc/13/63/70/1355136370.db2.gz JCVRCBGOZPCJGW-HNNXBMFYSA-N 2 0 341.883 2.237 10 0 EEAERP CN(CC[NH2+]Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664370085 1355147977 /nfs/dbraw/zinc/14/79/77/1355147977.db2.gz WURRETONGUVBDR-ZDUSSCGKSA-N 2 0 344.286 2.493 10 0 EEAERP C[C@@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001664467451 1355171437 /nfs/dbraw/zinc/17/14/37/1355171437.db2.gz LSFLIBXPNDHUEM-NVXWUHKLSA-N 2 0 327.488 2.295 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCCCCF)C2)C1 ZINC001666172501 1355475326 /nfs/dbraw/zinc/47/53/26/1355475326.db2.gz IGZBQKJOBOYFPE-IRXDYDNUSA-N 2 0 327.488 2.296 10 0 EEAERP CC1CC(C[NH2+]CCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001666256703 1355497588 /nfs/dbraw/zinc/49/75/88/1355497588.db2.gz WCGNNTHHXAIUAU-UHFFFAOYSA-N 2 0 333.520 2.347 10 0 EEAERP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666903840 1355612791 /nfs/dbraw/zinc/61/27/91/1355612791.db2.gz YRXZHDUPBCWUMF-RHSMWYFYSA-N 2 0 335.517 2.069 10 0 EEAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]Cc1cscn1 ZINC001667210096 1355674413 /nfs/dbraw/zinc/67/44/13/1355674413.db2.gz DSJKQINXLAWSBX-GDBMZVCRSA-N 2 0 338.521 2.202 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ocnc1C ZINC001667301877 1355703789 /nfs/dbraw/zinc/70/37/89/1355703789.db2.gz LRMKEFWZRHVPSG-INIZCTEOSA-N 2 0 336.480 2.186 10 0 EEAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]Cc2cscn2)ccc2c[nH+]cn21 ZINC001668117183 1355875888 /nfs/dbraw/zinc/87/58/88/1355875888.db2.gz FKCHKXRFWZEZTH-GFCCVEGCSA-N 2 0 343.456 2.397 10 0 EEAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc2c1CCOC2 ZINC001668320306 1355922533 /nfs/dbraw/zinc/92/25/33/1355922533.db2.gz OUTIRFQPALPUDX-INIZCTEOSA-N 2 0 347.503 2.084 10 0 EEAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2F)CC1 ZINC001669002574 1356065960 /nfs/dbraw/zinc/06/59/60/1356065960.db2.gz ZLWPXMHKDLHSQC-ARJAWSKDSA-N 2 0 337.414 2.069 10 0 EEAERP Cc1ccccc1OCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669638950 1356188397 /nfs/dbraw/zinc/18/83/97/1356188397.db2.gz GWEBWIJLIUCTFN-ROUUACIJSA-N 2 0 347.503 2.343 10 0 EEAERP CN(CCC[NH2+]Cc1cc(Cl)ccc1F)C(=O)CC[NH+](C)C ZINC001670233437 1356300456 /nfs/dbraw/zinc/30/04/56/1356300456.db2.gz SDHLSQDRDAFSLV-UHFFFAOYSA-N 2 0 329.847 2.369 10 0 EEAERP CN(CCC[NH2+]Cc1nc2ccc(F)cc2o1)C(=O)C[NH+]1CCCC1 ZINC001670345131 1356324225 /nfs/dbraw/zinc/32/42/25/1356324225.db2.gz QDDMOQAVTXBXQI-UHFFFAOYSA-N 2 0 348.422 2.001 10 0 EEAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)o1 ZINC001670353140 1356325693 /nfs/dbraw/zinc/32/56/93/1356325693.db2.gz PLQFZINZRBQVDZ-ZIAGYGMSSA-N 2 0 336.480 2.102 10 0 EEAERP Cc1cccc(CCC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001671379024 1356333842 /nfs/dbraw/zinc/33/38/42/1356333842.db2.gz LNJHVNCQWXXYQM-VQTJNVASSA-N 2 0 343.515 2.460 10 0 EEAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001672901490 1356610725 /nfs/dbraw/zinc/61/07/25/1356610725.db2.gz IHUBVDOISHRJPT-OZYJXZHSSA-N 2 0 336.307 2.475 10 0 EEAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001673288404 1356661602 /nfs/dbraw/zinc/66/16/02/1356661602.db2.gz JQTKLXYIUJXYAA-KRWDZBQOSA-N 2 0 337.508 2.012 10 0 EEAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001673299805 1356663210 /nfs/dbraw/zinc/66/32/10/1356663210.db2.gz WBIUEQSKPQYPCD-MOPGFXCFSA-N 2 0 349.519 2.178 10 0 EEAERP O=C(NC1CC(C[NH2+]CCCF)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001674542541 1356856540 /nfs/dbraw/zinc/85/65/40/1356856540.db2.gz VTZMUCIQROJPEH-AQFXKWCLSA-N 2 0 339.499 2.485 10 0 EEAERP O=C(NC1(C[NH2+]CCCF)CCCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001675209344 1356945618 /nfs/dbraw/zinc/94/56/18/1356945618.db2.gz DMIHQMDRFNMCTF-KRWDZBQOSA-N 2 0 325.472 2.241 10 0 EEAERP C[C@H](CCC[NH2+]Cc1nccs1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001675958449 1357077087 /nfs/dbraw/zinc/07/70/87/1357077087.db2.gz FKWLKARCJAPQLF-ILXRZTDVSA-N 2 0 338.521 2.248 10 0 EEAERP COCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692121022 1404982591 /nfs/dbraw/zinc/98/25/91/1404982591.db2.gz MIAHSKOQUKWIBE-ZWKOTPCHSA-N 2 0 339.524 2.114 10 0 EEAERP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692329839 1405003507 /nfs/dbraw/zinc/00/35/07/1405003507.db2.gz OEEXJYIRHSNRPN-MSOLQXFVSA-N 2 0 339.524 2.116 10 0 EEAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698755913 1405045030 /nfs/dbraw/zinc/04/50/30/1405045030.db2.gz VSCUNIJDTDTLGX-ZFWWWQNUSA-N 2 0 338.883 2.061 10 0 EEAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCC3=CCCCC3)CCO2)C1 ZINC001698788850 1405060123 /nfs/dbraw/zinc/06/01/23/1405060123.db2.gz FBGCUEYTZHPYIY-RTBURBONSA-N 2 0 349.519 2.036 10 0 EEAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001698858970 1405114349 /nfs/dbraw/zinc/11/43/49/1405114349.db2.gz XKMIVZGXVVCQBV-SKHCZCESSA-N 2 0 327.472 2.232 10 0 EEAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccn2)C1 ZINC001699015827 1405230506 /nfs/dbraw/zinc/23/05/06/1405230506.db2.gz DUJWWVCUWWCXOK-MJGOQNOKSA-N 2 0 344.503 2.236 10 0 EEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCCO1 ZINC001699553677 1405392029 /nfs/dbraw/zinc/39/20/29/1405392029.db2.gz FNXGQOOVZNPCNG-ROUUACIJSA-N 2 0 339.524 2.258 10 0 EEAERP CC(C)COCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001699772373 1405480377 /nfs/dbraw/zinc/48/03/77/1405480377.db2.gz HQWRCFPSGXAVHQ-KRWDZBQOSA-N 2 0 339.524 2.114 10 0 EEAERP CC(C)COCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001699820351 1405508800 /nfs/dbraw/zinc/50/88/00/1405508800.db2.gz YJVSSQSDSHAODF-PKOBYXMFSA-N 2 0 339.524 2.114 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001699856385 1405530254 /nfs/dbraw/zinc/53/02/54/1405530254.db2.gz MFZUWFDOSAWFIC-FPOVZHCZSA-N 2 0 343.515 2.399 10 0 EEAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000925816886 777966624 /nfs/dbraw/zinc/96/66/24/777966624.db2.gz KYVXHQGHHKWHIH-MRXNPFEDSA-N 2 0 338.293 2.449 10 0 EEAERP O[C@@H](C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000819130631 785435779 /nfs/dbraw/zinc/43/57/79/785435779.db2.gz DAYPCBPDXKEEBU-FQEVSTJZSA-N 2 0 332.488 2.418 10 0 EEAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)C1 ZINC000911564830 787540974 /nfs/dbraw/zinc/54/09/74/787540974.db2.gz CYHGZHSWMJETKM-QXAKKESOSA-N 2 0 327.472 2.206 10 0 EEAERP O[C@@]1(C(F)F)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000824726205 788289754 /nfs/dbraw/zinc/28/97/54/788289754.db2.gz JFDKAFLIJJHFNG-SFHVURJKSA-N 2 0 340.414 2.363 10 0 EEAERP CCCN(CC[NH+](C)C)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000844202792 788923990 /nfs/dbraw/zinc/92/39/90/788923990.db2.gz OHEIBVNLRKFWMR-AWEZNQCLSA-N 2 0 326.872 2.234 10 0 EEAERP COCC[NH2+]C1CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923387702 789483293 /nfs/dbraw/zinc/48/32/93/789483293.db2.gz KAPVJCIYGXZVSM-OAQYLSRUSA-N 2 0 342.483 2.444 10 0 EEAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000923448481 789562056 /nfs/dbraw/zinc/56/20/56/789562056.db2.gz CTBYMURDTUEPAC-GOSISDBHSA-N 2 0 326.444 2.202 10 0 EEAERP Cc1ccc(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1C ZINC000923458787 789577696 /nfs/dbraw/zinc/57/76/96/789577696.db2.gz TXOUZAHTQBDECM-QGZVFWFLSA-N 2 0 331.460 2.072 10 0 EEAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000923450443 789580931 /nfs/dbraw/zinc/58/09/31/789580931.db2.gz HJUOTHJUFNSLCE-AWEZNQCLSA-N 2 0 329.366 2.430 10 0 EEAERP Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)ccc12 ZINC000923498026 789673770 /nfs/dbraw/zinc/67/37/70/789673770.db2.gz NGVYLQLOKLABQI-GJZGRUSLSA-N 2 0 330.428 2.397 10 0 EEAERP Cc1csc(C[C@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000923550325 789764726 /nfs/dbraw/zinc/76/47/26/789764726.db2.gz BBAXQXPIRXDJNU-SQNIBIBYSA-N 2 0 345.512 2.247 10 0 EEAERP c1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCCO3)CC1)C[NH2+]CC2 ZINC000846217850 790091327 /nfs/dbraw/zinc/09/13/27/790091327.db2.gz FQDWMGCLKHLFFP-FQEVSTJZSA-N 2 0 330.472 2.492 10 0 EEAERP C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000713427459 794596452 /nfs/dbraw/zinc/59/64/52/794596452.db2.gz YHAQJMKVJSMHDE-XMUPAAEVSA-N 2 0 327.472 2.283 10 0 EEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000916361481 797592201 /nfs/dbraw/zinc/59/22/01/797592201.db2.gz OLFQYBJHUMRVHR-RDJZCZTQSA-N 2 0 335.496 2.104 10 0 EEAERP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1)[NH+](C)C ZINC001179298347 799851901 /nfs/dbraw/zinc/85/19/01/799851901.db2.gz CFVCWQXOQCOYHZ-IBGZPJMESA-N 2 0 347.503 2.078 10 0 EEAERP CCO[C@@H](CNCc1cc(Cl)c(OC)c(OC)c1)C[NH+](C)C ZINC000922762171 801836475 /nfs/dbraw/zinc/83/64/75/801836475.db2.gz VDLPAECTEQBELO-ZDUSSCGKSA-N 2 0 330.856 2.414 10 0 EEAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]CCF)CC1 ZINC001565940895 1125467507 /nfs/dbraw/zinc/46/75/07/1125467507.db2.gz FQLBDAZDGMCLCD-DLBZAZTESA-N 2 0 327.488 2.295 10 0 EEAERP